A0A3Q0KNV1_SCHMA Loading...

RNA cytidine acetyltransferase AlphaSync

RNA cytidine acetyltransferase with specificity toward both 18S rRNA and tRNAs. Catalyzes the formation of N(4)-acetylcytidine (ac4C) in 18S rRNA. Required for early nucleolar cleavages of precursor rRNA at sites A0, A1 and A2 during 18S rRNA synthesis. Catalyzes the formation of ac4C in serine and leucine tRNAs. Requires a tRNA-binding adapter protein for full tRNA acetyltransferase activity but not for 18S rRNA acetylation.

AlphaFold DB , UniProt , Accession A0A3Q0KNV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,279 aa.

						>A0A3Q0KNV1_SCHMA|A0A3Q0KNV1
MGQLHKLDNRIQIMLKNGILRKHRSMFVMVGNKGQDQVPIMHQILNSLSSKGRLSILWCYKKELSFSTHRKKNLKLLNKRRKAGLTSDATIFEQFVCSTDIRWCYYDESHKILGQTFDMCVLQDFEALTPNLLARTIETVSGGGLIVFLLKSMASLQQLCTMVMDVHSRYRTESQHNVVGRFNERFLLSLASNPRCLVLDDRWNVLPLSQKVLSSLTSLQADISDESILLEQKELQKLKVSLAEDGSPFAPLIKLCITFDQAKSLVQFCASLASASQLQNKGCNKSTQVATSLAMANSLLSSIGAGTKETSSSSAFVVVTSGRGRGKSAALGLGLAAAFETGMPNLYVTAPSPENLNTLMQFVVNGLNAFHYEEHQDYIVSRSMNPEHNQAIVKIDVYRRSHRQSLIYLPPWEMAALSNVKQADLVCVDEAAAIPLPLVQSIISGPRIVFMASTINGYEGTGRSLSFKLLRQLRSQCTISGTTAKLSTDNVKSQSLQSTEKNKILLGKGFRLVDTSRVLFEVSLTEAIRYASGDPIEAWLFDLLCLDCGESLSREQQANEANIYLPPVDQCQLYYVNRDTLFSYHKSTEIFLHRLMALYVSSHYKNSPNDLQLLSDAPAHHIFCLLAPYDPKSGCVPEVLCVLQVSLEGKINKDRVMHNLSRGLRPSGDLIPWTLSQQFCDANFGELSGVRVVRIATHPDYQGLGYGTRALKLLYDYYNEQTDITVFPENQHTDIQTEQVGRSGSIEGAKSLNQTSNKSLKPKPSTLDFNCDLDEGNYDDQDDSDASLESNNTRLSENKSNLLTEIIKRREPASLPPLLSRLNERPSEKLDYIGVSFGATPSLLRFWKRSGYVPVYLRQNMNELTGEFTCIMVKPLKHQSVSSQSAEWLQNYFYDFTKRLIHLFPGPFRHMDGTYGLELLSHKSMNTEISNELTQSEINSLFNAVDLERLRRYSRSLVDFHLVNDLLPRLAQIYFQRRLPNVRLNKTQQVILLCMGLQHKTVEQISSEFNRLLGDSTRPHIRVSGLVRSDDAVYSILNSLKEKGDPSGSTSNNHSFGHKKKGPDTGVNSGWTKCILGLLFVIVREHIKSLDSILASERKCRIESKKDTIDGQLQPVMDVDLKDGNYAAIRVDENTLSESDEDNSEEYEKPLSDDNSDSDSKNSEHINTDRLGLKSEISDSERERRSTLIRQLISEEITGQRNLFSAYKIQGSETDWAEAVVGHGADLSSLTVKLSSYQKINNKRKNKEDHFNNQKSCHFEKKKHKKKPKLTKSKRQKLN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE 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	31.5	Very low	66.3	Low	243 Å²	243	116.6 Å²	116.6	100%	1.197	59%	0.59	S	S	*	*				0	117.4	0	-67.4	-56.7	-155.1	0	0	108.8
2	G	40.8	Very low	68	Low	70 Å²	70	113.7 Å²	113.7	72%	0.722	57%	0.573	S	S	*	*			trans	-78	157.5	165.3	0	0	0	0	0	110.2	L4	G2-L4 PolarHBondContact O-N 3.45Å
3	Q	47.3	Very low	69.5	Low	166 Å²	166	109.2 Å²	109.2	78%	0.776	55%	0.55	S	S	*	*			trans	-61.8	135.5	170.1	-72.1	179.8	-15.8	0	0	109.6	H5	Q3-H5 VanDerWaalsContact C-N 3.28Å; Q3-H5 PolarHBondContact O-CD2 3.21Å; Q3-H5 PolarHBondContact O-N 3.5Å
4	L	56.5	Low	70.8	Confident	179 Å²	179	101.4 Å²	101.4	94%	0.937	51%	0.511	S	S	*	.			trans	-70.7	87.9	171.1	-76.1	168.8	0	0	0	108.7	G2 K6	G2-L4 PolarHBondContact O-N 3.45Å; L4-K6 PolarHBondContact O-N 2.98Å
5	H	64.4	Low	72.1	Confident	142 Å²	142	94.7 Å²	94.7	66%	0.657	48%	0.478	S	S	*	.			trans	-60.3	121.6	175.2	-75.8	-79.1	0	0	0	109.8	Q3 L7	Q3-H5 VanDerWaalsContact C-N 3.28Å; Q3-H5 PolarHBondContact O-CD2 3.21Å; Q3-H5 PolarHBondContact O-N 3.5Å; H5-L7 PolarHBondContact O-N 3.33Å
6	K	72.6	Confident	73.1	Confident	184 Å²	184	96.3 Å²	96.3	80%	0.8	48%	0.48	S	S	*	.			trans	-67.9	112.5	177	-176.9	178.6	178.9	180	0	109.3	L4	L4-K6 PolarHBondContact O-N 2.98Å
7	L	79.7	Confident	74	Confident	37 Å²	37	91.5 Å²	91.5	19%	0.194	46%	0.457	C	S	.	.			trans	-55.8	141.2	173.4	-167.3	115.2	0	0	0	110.7	H5 N9 I11 Q12 I44 W203	H5-L7 PolarHBondContact O-N 3.33Å; L7-N9 PolarHBondContact O-N 3.32Å; L7-I11 HydrophobicContact CD2-CB 4.3Å; L7-Q12 HydrophobicContact CD2-CG 3.87Å; L7-I44 HydrophobicContact CD1-CD1 4Å; L7-I44 HydrophobicContact CD2-CD1 4.21Å; L7-W203 HydrophobicContact CD1-CD2 3.62Å; L7-W203 HydrophobicContact CD1-CE3 3.51Å; L7-W203 HydrophobicContact CD1-CG 4.12Å; L7-W203 HydrophobicContact CD1-CH2 4.21Å; L7-W203 HydrophobicContact CD1-CZ2 4.36Å; L7-W203 HydrophobicContact CD1-CZ3 3.83Å; L7-W203 HydrophobicContact CG-CE3 4.49Å
8	D	81.4	Confident	74.8	Confident	51 Å²	51	86.4 Å²	86.4	27%	0.273	43%	0.431	S	S	.	.			trans	-66.8	117.2	174.4	-174.7	-9.4	0	0	0	109.9	R10 I11	D8-R10 PolarHBondContact O-N 3.34Å; D8-R10 WeakPolarHBondContact OD1-CB 3.47Å; D8-R10 VanDerWaalsContact OD1-CG 3.28Å; D8-R10 WeakPolarHBondContact OD1-CG 3.37Å; D8-R10 PolarHBondContact OD1-N 3.26Å; D8-R10 WeakPolarHBondContact OD2-CD 3.3Å; D8-R10 IonicContact OD2-NH1 3.81Å; D8-I11 HydrophobicContact CB-CD1 4.42Å; D8-I11 HydrophobicContact CB-CG1 4.34Å; D8-I11 WeakPolarHBondContact O-CB 3.49Å; D8-I11 PolarHBondContact O-N 3.16Å
9	N	84.4	Confident	75.5	Confident	90 Å²	90	83.9 Å²	83.9	48%	0.481	42%	0.419	S	S	.	.	H	α-helix	trans	-50.3	-28.8	175.5	-70.5	17.7	0	0	0	112.6	L7 I11 Q12 I13	L7-N9 PolarHBondContact O-N 3.32Å; N9-I11 PolarHBondContact O-N 3.38Å; N9-Q12 PolarHBondContact O-N 3.03Å; N9-Q12 VanDerWaalsContact O-N 3.13Å; N9-I13 WeakPolarHBondContact O-CG1 3.24Å; N9-I13 PolarHBondContact O-N 3.37Å
10	R	83.7	Confident	76.1	Confident	121 Å²	121	84.6 Å²	84.6	46%	0.457	42%	0.423	S	S	.	.	H	α-helix	trans	-58.6	-31.5	176.9	-66.3	176.7	-178.5	144.5	-9.2	113	D8 I13 M14 L213	D8-R10 PolarHBondContact O-N 3.34Å; D8-R10 WeakPolarHBondContact OD1-CB 3.47Å; D8-R10 VanDerWaalsContact OD1-CG 3.28Å; D8-R10 WeakPolarHBondContact OD1-CG 3.37Å; D8-R10 PolarHBondContact OD1-N 3.26Å; D8-R10 WeakPolarHBondContact OD2-CD 3.3Å; D8-R10 IonicContact OD2-NH1 3.81Å; R10-I13 PolarHBondContact O-N 3.22Å; R10-M14 WeakPolarHBondContact O-CB 3.48Å; R10-M14 PolarHBondContact O-N 3.49Å; R10-L213 HydrophobicContact CB-CD2 4.07Å
11	I	86.5	Confident	76.6	Confident	0 Å²	0	85 Å²	85	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-66	-44.9	176.9	-57.4	-179.2	0	0	0	109.9	L7 D8 N9 M14 L15 F27 L197 L199 W203 V205	L7-I11 HydrophobicContact CD2-CB 4.3Å; D8-I11 HydrophobicContact CB-CD1 4.42Å; D8-I11 HydrophobicContact CB-CG1 4.34Å; D8-I11 WeakPolarHBondContact O-CB 3.49Å; D8-I11 PolarHBondContact O-N 3.16Å; N9-I11 PolarHBondContact O-N 3.38Å; I11-M14 PolarHBondContact O-N 2.71Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 3.3Å; I11-L15 VanDerWaalsContact O-N 3.08Å; I11-F27 HydrophobicContact CG2-CE1 4.37Å; I11-F27 HydrophobicContact CG2-CE2 3.78Å; I11-F27 HydrophobicContact CG2-CZ 3.46Å; I11-F27 VanDerWaalsContact CG2-CZ 3.46Å; I11-L197 HydrophobicContact CG1-CD1 4.17Å; I11-L199 HydrophobicContact CD1-CD1 4.45Å; I11-L199 HydrophobicContact CD1-CD2 4.1Å; I11-W203 HydrophobicContact CD1-CE3 3.88Å; I11-W203 HydrophobicContact CD1-CZ3 4.36Å; I11-W203 HydrophobicContact CG2-CZ3 4.2Å; I11-V205 HydrophobicContact CD1-CG2 4.37Å
12	Q	87.4	Confident	79.2	Confident	81 Å²	81	79.8 Å²	79.8	38%	0.379	39%	0.391	S	S	.	.	H	α-helix	trans	-67	-39.4	175.7	-63.9	-178.5	-7.3	0	0	111.9	L7 N9 M14 L15 K16 I44	L7-Q12 HydrophobicContact CD2-CG 3.87Å; N9-Q12 PolarHBondContact O-N 3.03Å; N9-Q12 VanDerWaalsContact O-N 3.13Å; Q12-M14 VanDerWaalsContact C-N 3.34Å; Q12-M14 PolarHBondContact O-N 3.46Å; Q12-L15 PolarHBondContact O-N 2.9Å; Q12-K16 WeakPolarHBondContact O-CB 3.43Å; Q12-K16 PolarHBondContact O-N 3.47Å; Q12-I44 HydrophobicContact CG-CG2 4.26Å
13	I	87.4	Confident	81.6	Confident	55 Å²	55	77.9 Å²	77.9	28%	0.282	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-43.1	173.6	-66.7	165.3	0	0	0	110.5	N9 R10 K16 N17	N9-I13 WeakPolarHBondContact O-CG1 3.24Å; N9-I13 PolarHBondContact O-N 3.37Å; R10-I13 PolarHBondContact O-N 3.22Å; I13-K16 PolarHBondContact O-N 2.9Å; I13-N17 WeakPolarHBondContact O-CB 3.44Å; I13-N17 VanDerWaalsContact O-CG 3.29Å; I13-N17 PolarHBondContact O-N 3.26Å
14	M	87.9	Confident	83.8	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-48.3	177.3	-167.6	-178.1	113.5	0	0	111.4	R10 I11 Q12 N17 G18 F27 R195 L197 L216	R10-M14 WeakPolarHBondContact O-CB 3.48Å; R10-M14 PolarHBondContact O-N 3.49Å; I11-M14 PolarHBondContact O-N 2.71Å; Q12-M14 VanDerWaalsContact C-N 3.34Å; Q12-M14 PolarHBondContact O-N 3.46Å; M14-N17 PolarHBondContact O-N 3.47Å; M14-G18 PolarHBondContact O-N 3.02Å; M14-F27 HydrophobicContact CE-CD1 4.34Å; M14-F27 HydrophobicContact CE-CE1 3.73Å; M14-R195 WeakPolarHBondContact CE-O 3.27Å; M14-R195 VanDerWaalsContact CG-NH1 3.31Å; M14-R195 VanDerWaalsContact O-CZ 3.27Å; M14-R195 PolarHBondContact O-NH1 2.93Å; M14-R195 PolarHBondContact O-NH2 2.9Å; M14-L197 HydrophobicContact CE-CD1 4.45Å; M14-L197 HydrophobicContact CE-CG 4.3Å; M14-L197 HydrophobicContact SD-CD1 3.74Å; M14-L197 HydrophobicContact SD-CD2 4.25Å; M14-L197 HydrophobicContact SD-CG 3.68Å; M14-L216 HydrophobicContact CB-CD1 3.91Å; M14-L216 HydrophobicContact CB-CD2 4.13Å; M14-L216 HydrophobicContact CG-CD1 4.14Å; M14-L216 HydrophobicContact CG-CD2 3.93Å; M14-L216 HydrophobicContact SD-CD1 4.33Å
15	L	89.9	Confident	85.6	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-45.9	177.9	-68.5	173.6	0	0	0	111.7	I11 Q12 N17 G18 I19 F27 I44 L48 L145	I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 3.3Å; I11-L15 VanDerWaalsContact O-N 3.08Å; Q12-L15 PolarHBondContact O-N 2.9Å; L15-N17 PolarHBondContact O-N 3.47Å; L15-G18 WeakPolarHBondContact O-CA 3.22Å; L15-G18 PolarHBondContact O-N 2.61Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.42Å; L15-F27 HydrophobicContact CD1-CE2 4.28Å; L15-F27 HydrophobicContact CD1-CZ 4Å; L15-F27 HydrophobicContact CD2-CE1 4.43Å; L15-F27 HydrophobicContact CD2-CZ 3.86Å; L15-F27 HydrophobicContact CG-CZ 3.92Å; L15-I44 HydrophobicContact CD1-CG2 3.71Å; L15-L48 HydrophobicContact CB-CD1 3.67Å; L15-L48 HydrophobicContact CD1-CD1 4.35Å; L15-L145 HydrophobicContact CD2-CD1 4.2Å; L15-L145 HydrophobicContact CD2-CD2 4.48Å
16	K	89.1	Confident	86.9	Confident	120 Å²	120	54.8 Å²	54.8	52%	0.522	25%	0.25	S	S	.	.	H	α-helix	trans	-58.5	-48	176.2	-174.9	178.8	178.5	-178.6	0	112.1	Q12 I13 G18 I19 L20	Q12-K16 WeakPolarHBondContact O-CB 3.43Å; Q12-K16 PolarHBondContact O-N 3.47Å; I13-K16 PolarHBondContact O-N 2.9Å; K16-G18 PolarHBondContact O-N 2.81Å; K16-I19 PolarHBondContact O-N 2.81Å; K16-L20 HydrophobicContact CG-CD1 4.11Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 2.72Å
17	N	87.8	Confident	87.9	Confident	14 Å²	14	46 Å²	46	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-31.7	174.5	-75	0.7	0	0	0	111.9	I13 M14 L15 R21 T217 L219	I13-N17 WeakPolarHBondContact O-CB 3.44Å; I13-N17 VanDerWaalsContact O-CG 3.29Å; I13-N17 PolarHBondContact O-N 3.26Å; M14-N17 PolarHBondContact O-N 3.47Å; L15-N17 PolarHBondContact O-N 3.47Å; N17-R21 PolarHBondContact O-N 3.35Å; N17-T217 PolarHBondContact ND2-O 3.24Å; N17-L219 HydrophobicContact CB-CD1 4.11Å; N17-L219 PolarHBondContact OD1-N 3.22Å
18	G	87.6	Confident	88.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.6	-46.1	176.3	0	0	0	0	0	113.2	M14 L15 K16 K22 H23	M14-G18 PolarHBondContact O-N 3.02Å; L15-G18 WeakPolarHBondContact O-CA 3.22Å; L15-G18 PolarHBondContact O-N 2.61Å; K16-G18 PolarHBondContact O-N 2.81Å; G18-K22 CarbonylContact O-C 3.52Å; G18-K22 VanDerWaalsContact O-CA 3.26Å; G18-K22 WeakPolarHBondContact O-CA 3.33Å; G18-K22 PolarHBondContact O-N 3.15Å; G18-H23 PolarHBondContact O-N 3.11Å
19	I	89.2	Confident	89	Confident	40 Å²	40	42.1 Å²	42.1	21%	0.205	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-45.1	177.5	-65.5	165.1	0	0	0	110.6	L15 K16 K22 L45 L48	L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.42Å; K16-I19 PolarHBondContact O-N 2.81Å; I19-K22 PolarHBondContact O-N 3.04Å; I19-K22 VanDerWaalsContact O-N 3.16Å; I19-L45 HydrophobicContact CD1-CD1 4.21Å; I19-L48 HydrophobicContact CD1-CB 3.55Å
20	L	87.9	Confident	89.2	Confident	96 Å²	96	38 Å²	38	50%	0.503	17%	0.17	S	C	.	.	H	α-helix	trans	-57.6	-50.5	177.7	-72.5	170.3	0	0	0	112	K16 K22	K16-L20 HydrophobicContact CG-CD1 4.11Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 2.72Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.32Å
21	R	84.8	Confident	89.3	Confident	95 Å²	95	32.6 Å²	32.6	36%	0.358	15%	0.152	S	C	.	.	H	α-helix	trans	-80.6	-2.9	177.5	-71.4	-170.9	166	161.5	2.3	114.6	N17 H23 S224 A531	N17-R21 PolarHBondContact O-N 3.35Å; R21-H23 HydrophobicContact CB-CB 4.46Å; R21-H23 PolarHBondContact O-CD2 2.95Å; R21-H23 PolarHBondContact O-N 3.46Å; R21-S224 PolarHBondContact NE-OG 3.15Å; R21-S224 PolarHBondContact NH2-OG 3.2Å; R21-S224 VanDerWaalsContact NH2-OG 3.14Å; R21-A531 VanDerWaalsContact O-CB 3.26Å; R21-A531 WeakPolarHBondContact O-CB 3.24Å
22	K	87.8	Confident	89.1	Confident	132 Å²	132	38.5 Å²	38.5	57%	0.574	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	31.7	-168.1	-52.3	171.6	-174.2	168.3	0	113.3	G18 I19 L20 G142 A531	G18-K22 CarbonylContact O-C 3.52Å; G18-K22 VanDerWaalsContact O-CA 3.26Å; G18-K22 WeakPolarHBondContact O-CA 3.33Å; G18-K22 PolarHBondContact O-N 3.15Å; I19-K22 PolarHBondContact O-N 3.04Å; I19-K22 VanDerWaalsContact O-N 3.16Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.32Å; K22-G142 WeakPolarHBondContact O-CA 3.44Å; K22-A531 HydrophobicContact CB-CB 4.16Å; K22-A531 PolarHBondContact O-N 3.47Å
23	H	90.7	Very high	88.9	Confident	31 Å²	31	40.7 Å²	40.7	14%	0.144	19%	0.192	C	C	.	.			trans	-87.2	152.6	172.6	-72.7	-160.3	0	0	0	110.1	G18 R21 G143 G533 D534 P535	G18-H23 PolarHBondContact O-N 3.11Å; R21-H23 HydrophobicContact CB-CB 4.46Å; R21-H23 PolarHBondContact O-CD2 2.95Å; R21-H23 PolarHBondContact O-N 3.46Å; H23-G143 VanDerWaalsContact O-CA 3.24Å; H23-G143 WeakPolarHBondContact O-CA 3.5Å; H23-G143 PolarHBondContact O-N 3.39Å; H23-G533 PolarHBondContact CE1-O 3.47Å; H23-G533 VanDerWaalsContact CE1-O 3.3Å; H23-D534 IonicContact CG-OD1 2.68Å; H23-P535 VanDerWaalsContact ND1-CD 3.32Å; H23-P535 WeakPolarHBondContact ND1-CD 3.43Å
24	R	93.4	Very high	88.7	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	18%	0.181	C	C	.	.			trans	-78.4	166.1	177.6	-69.5	177.6	-66.2	-167.6	-7.8	111.2	I137 V140 R195 D534 I536	R24-I137 PolarHBondContact NH1-O 3.17Å; R24-V140 HydrophobicContact CG-CG1 4.3Å; R24-R195 PolarHBondContact O-NE 3.07Å; R24-D534 IonicContact CZ-OD2 2.8Å; R24-D534 PolarHBondContact N-OD1 3.19Å; R24-D534 IonicContact NE-OD2 3.24Å; R24-D534 PolarHBondContact NE-OD2 3.24Å; R24-D534 IonicContact NH2-OD2 3.63Å; R24-D534 PolarHBondContact NH2-OD2 3.3Å; R24-I536 HydrophobicContact CB-CB 4.25Å; R24-I536 HydrophobicContact CB-CD1 3.88Å; R24-I536 HydrophobicContact CB-CG1 4.38Å
25	S	93.1	Very high	88.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.7	175.9	-51.3	0	0	0	0	110.1	G144 I146 R195	S25-G144 PolarHBondContact N-O 3.25Å; S25-I146 PolarHBondContact O-N 3.09Å; S25-R195 PolarHBondContact OG-NH2 3.39Å
26	M	93.7	Very high	88.5	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.1	-179.5	177.2	178.7	-64.4	0	0	110.8	I137 I146 F148 L190 R195 C196 L197 I536 W539	M26-I137 HydrophobicContact CE-CD1 4.15Å; M26-I146 WeakPolarHBondContact CA-O 3.41Å; M26-I146 HydrophobicContact CB-CB 4.42Å; M26-I146 HydrophobicContact CE-CD1 4.14Å; M26-I146 HydrophobicContact CE-CG2 4.23Å; M26-I146 HydrophobicContact CG-CB 4.48Å; M26-I146 HydrophobicContact CG-CG2 4.45Å; M26-F148 HydrophobicContact CE-CE2 3.86Å; M26-F148 HydrophobicContact CE-CZ 4.5Å; M26-F148 HydrophobicContact CG-CD2 4.16Å; M26-F148 HydrophobicContact CG-CE2 3.96Å; M26-F148 HydrophobicContact SD-CD2 4.31Å; M26-F148 HydrophobicContact SD-CE2 3.65Å; M26-L190 HydrophobicContact SD-CD2 3.7Å; M26-R195 PolarHBondContact N-O 3.47Å; M26-R195 VanDerWaalsContact N-O 3.08Å; M26-C196 CarbonylContact O-C 3.52Å; M26-C196 VanDerWaalsContact O-CA 3.3Å; M26-C196 WeakPolarHBondContact O-CA 3.42Å; M26-L197 PolarHBondContact O-N 3.11Å; M26-I536 HydrophobicContact CB-CD1 3.84Å; M26-I536 HydrophobicContact CE-CG2 4.17Å; M26-W539 HydrophobicContact CE-CE3 4.23Å; M26-W539 HydrophobicContact CE-CH2 3.84Å; M26-W539 HydrophobicContact CE-CZ3 3.53Å; M26-W539 HydrophobicContact SD-CH2 4.23Å; M26-W539 HydrophobicContact SD-CZ3 4.41Å
27	F	93.3	Very high	88.5	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.7	170.2	-64.6	-8	0	0	0	109.9	I11 M14 L15 M41 L145 I146 V147 F148 L197 L199 W203	I11-F27 HydrophobicContact CG2-CE1 4.37Å; I11-F27 HydrophobicContact CG2-CE2 3.78Å; I11-F27 HydrophobicContact CG2-CZ 3.46Å; I11-F27 VanDerWaalsContact CG2-CZ 3.46Å; M14-F27 HydrophobicContact CE-CD1 4.34Å; M14-F27 HydrophobicContact CE-CE1 3.73Å; L15-F27 HydrophobicContact CD1-CE2 4.28Å; L15-F27 HydrophobicContact CD1-CZ 4Å; L15-F27 HydrophobicContact CD2-CE1 4.43Å; L15-F27 HydrophobicContact CD2-CZ 3.86Å; L15-F27 HydrophobicContact CG-CZ 3.92Å; F27-M41 HydrophobicContact CB-CE 3.83Å; F27-M41 HydrophobicContact CD2-CE 3.57Å; F27-M41 HydrophobicContact CG-CE 4.19Å; F27-L145 HydrophobicContact CB-CD1 4.46Å; F27-L145 HydrophobicContact CD1-CD1 4.14Å; F27-L145 HydrophobicContact CD2-CD1 4.05Å; F27-L145 HydrophobicContact CD2-CD2 4.33Å; F27-L145 HydrophobicContact CE1-CD1 4.34Å; F27-L145 HydrophobicContact CE2-CD1 4.26Å; F27-L145 HydrophobicContact CE2-CD2 4.31Å; F27-L145 HydrophobicContact CG-CD1 3.95Å; F27-L145 HydrophobicContact CZ-CD1 4.38Å; F27-I146 PolarHBondContact N-O 2.81Å; F27-V147 WeakPolarHBondContact O-CA 3.45Å; F27-F148 PolarHBondContact O-N 3.04Å; F27-L197 CarbonylContact C-O 3.36Å; F27-L197 WeakPolarHBondContact CA-O 3.4Å; F27-L197 HydrophobicContact CD1-CB 3.98Å; F27-L197 HydrophobicContact CD1-CD1 4.36Å; F27-L197 HydrophobicContact CD1-CG 4.45Å; F27-L197 HydrophobicContact CE1-CB 4.31Å; F27-L197 HydrophobicContact CE1-CD1 3.84Å; F27-L197 HydrophobicContact CE1-CG 4.31Å; F27-L199 HydrophobicContact CB-CD1 4.36Å; F27-L199 HydrophobicContact CD2-CD1 3.93Å; F27-L199 HydrophobicContact CE2-CD1 4.44Å; F27-L199 HydrophobicContact CG-CD1 4.07Å; F27-W203 HydrophobicContact CE2-CZ3 4.32Å
28	V	91.7	Very high	88.6	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109	172	179.5	0	0	0	0	107.3	V30 F148 L150 L190 L197 V198 L199	V28-V30 HydrophobicContact CG1-CG2 4.46Å; V28-F148 HydrophobicContact CB-CB 4.45Å; V28-F148 HydrophobicContact CG1-CB 4.24Å; V28-F148 HydrophobicContact CG2-CB 4.19Å; V28-F148 HydrophobicContact CG2-CD2 4.08Å; V28-F148 HydrophobicContact CG2-CG 4.38Å; V28-L150 HydrophobicContact CG1-CD1 3.47Å; V28-L150 VanDerWaalsContact CG1-CD1 3.47Å; V28-L150 HydrophobicContact CG1-CG 4.16Å; V28-L190 HydrophobicContact CG2-CD1 4.28Å; V28-L197 PolarHBondContact N-O 3.39Å; V28-V198 HydrophobicContact CB-CB 4.49Å; V28-V198 HydrophobicContact CB-CG1 4.17Å; V28-V198 HydrophobicContact CB-CG2 4.26Å; V28-V198 HydrophobicContact CG1-CG1 4.19Å; V28-L199 PolarHBondContact O-N 3.43Å
29	M	91.1	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.2	179	-59	-56.7	-53	0	0	109.6	Q37 M41 V147 F148 L149 L150 L199 D200	M29-Q37 HydrophobicContact CE-CB 4.14Å; M29-Q37 HydrophobicContact CE-CG 4.03Å; M29-M41 HydrophobicContact CG-CE 4.01Å; M29-M41 HydrophobicContact CG-SD 4.23Å; M29-M41 HydrophobicContact SD-CE 3.99Å; M29-M41 HydrophobicContact SD-SD 4.27Å; M29-V147 HydrophobicContact CG-CG1 4.25Å; M29-F148 PolarHBondContact N-O 2.91Å; M29-L149 HydrophobicContact CB-CD2 4.03Å; M29-L149 HydrophobicContact CG-CD2 4.22Å; M29-L150 PolarHBondContact O-N 3.33Å; M29-L199 CarbonylContact C-O 3.51Å; M29-L199 WeakPolarHBondContact CA-O 3.33Å; M29-L199 HydrophobicContact CE-CB 3.95Å; M29-L199 HydrophobicContact SD-CB 3.77Å; M29-L199 HydrophobicContact SD-CD1 3.81Å; M29-L199 HydrophobicContact SD-CG 4.34Å; M29-D200 WeakPolarHBondContact CE-O 3.47Å
30	V	88.6	Confident	88.8	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.5	178.6	-176	0	0	0	0	109.4	V28 L150 L156 V198 L199 D201 L206 L802	V28-V30 HydrophobicContact CG1-CG2 4.46Å; V30-L150 HydrophobicContact CG2-CB 4.5Å; V30-L150 HydrophobicContact CG2-CD1 4.14Å; V30-L156 HydrophobicContact CG2-CD2 4.21Å; V30-V198 HydrophobicContact CG2-CG1 3.95Å; V30-L199 PolarHBondContact N-O 2.93Å; V30-D201 PolarHBondContact O-N 3.05Å; V30-D201 VanDerWaalsContact O-N 3.1Å; V30-L206 HydrophobicContact CG2-CD1 4.45Å; V30-L802 HydrophobicContact CG1-CD1 4.15Å
31	G	85.8	Confident	88.9	Confident	8 Å²	8	34.7 Å²	34.7	8%	0.082	17%	0.165	C	C	.	.	S	Bend	trans	151	-177	175.9	0	0	0	0	0	114.5	L150 K151 D201	G31-L150 PolarHBondContact N-O 3.34Å; G31-K151 WeakPolarHBondContact O-CA 3.43Å; G31-D201 VanDerWaalsContact CA-CG 3.46Å; G31-D201 WeakPolarHBondContact CA-OD1 3.39Å; G31-D201 WeakPolarHBondContact CA-OD2 3.43Å
32	N	82.4	Confident	89.2	Confident	124 Å²	124	31.1 Å²	31.1	66%	0.663	15%	0.152	S	C	*	.	S	Bend	trans	-91.5	-13.2	-176.9	-71.9	-19.5	0	0	0	112.9	S152 D201	N32-S152 VanDerWaalsContact CG-CB 3.43Å; N32-S152 WeakPolarHBondContact OD1-CB 3.37Å; N32-S152 PolarHBondContact OD1-N 3.37Å; N32-D201 PolarHBondContact N-OD1 3.08Å; N32-D201 PolarHBondContact N-OD2 3.2Å
33	K	83.6	Confident	89.2	Confident	128 Å²	128	30.1 Å²	30.1	56%	0.557	15%	0.15	S	C	*	.			trans	-111.9	15.4	-179.8	-61	-165.7	174.5	-167.7	0	113.5	Q35 D36 Q37 D201	K33-Q35 PolarHBondContact O-N 3.07Å; K33-Q35 VanDerWaalsContact O-N 3.16Å; K33-D36 WeakPolarHBondContact O-CB 3.44Å; K33-D36 PolarHBondContact O-N 3.24Å; K33-Q37 PolarHBondContact O-N 3.08Å; K33-Q37 PolarHBondContact O-NE2 3.12Å; K33-D201 WeakPolarHBondContact CA-OD1 3.42Å; K33-D201 VanDerWaalsContact N-CG 3.26Å; K33-D201 PolarHBondContact N-OD1 3.29Å; K33-D201 PolarHBondContact N-OD2 3Å
34	G	83.8	Confident	89.2	Confident	4 Å²	4	29.5 Å²	29.5	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-54.1	-33.8	175.8	0	0	0	0	0	113.3	Q37 V38 D201	G34-Q37 PolarHBondContact O-N 3.02Å; G34-Q37 VanDerWaalsContact O-N 3.16Å; G34-V38 PolarHBondContact O-N 3.46Å; G34-D201 PolarHBondContact N-OD1 3.23Å
35	Q	85.8	Confident	89	Confident	55 Å²	55	29.6 Å²	29.6	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-61.3	-42	173.7	-68.5	-177.3	-9.2	0	0	112.5	K33 Q37 V38 P39 W58 F92 L149	K33-Q35 PolarHBondContact O-N 3.07Å; K33-Q35 VanDerWaalsContact O-N 3.16Å; Q35-Q37 PolarHBondContact O-N 3.45Å; Q35-V38 PolarHBondContact O-N 3.12Å; Q35-P39 WeakPolarHBondContact O-CD 3.44Å; Q35-W58 HydrophobicContact CG-CH2 4.44Å; Q35-W58 HydrophobicContact CG-CZ2 4.38Å; Q35-F92 HydrophobicContact CB-CE2 4.35Å; Q35-F92 VanDerWaalsContact O-CD2 3.23Å; Q35-F92 WeakPolarHBondContact O-CD2 3.26Å; Q35-L149 HydrophobicContact CG-CD1 3.89Å
36	D	86.5	Confident	88.8	Confident	66 Å²	66	32.9 Å²	32.9	35%	0.353	17%	0.165	S	C	.	.	H	α-helix	trans	-66.1	-19.8	176.4	-70.3	-40	0	0	0	112.8	K33 P39	K33-D36 WeakPolarHBondContact O-CB 3.44Å; K33-D36 PolarHBondContact O-N 3.24Å; D36-P39 WeakPolarHBondContact O-CD 3.39Å
37	Q	89.2	Confident	88.6	Confident	24 Å²	24	37.3 Å²	37.3	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-84.2	-24.6	178	-50.8	-42.7	-54.9	0	0	112.9	M29 K33 G34 Q35 I40 M41 W203	M29-Q37 HydrophobicContact CE-CB 4.14Å; M29-Q37 HydrophobicContact CE-CG 4.03Å; K33-Q37 PolarHBondContact O-N 3.08Å; K33-Q37 PolarHBondContact O-NE2 3.12Å; G34-Q37 PolarHBondContact O-N 3.02Å; G34-Q37 VanDerWaalsContact O-N 3.16Å; Q35-Q37 PolarHBondContact O-N 3.45Å; Q37-I40 WeakPolarHBondContact O-CB 3.38Å; Q37-I40 PolarHBondContact O-N 3.32Å; Q37-M41 HydrophobicContact CB-SD 4.42Å; Q37-M41 VanDerWaalsContact O-CG 3.31Å; Q37-M41 WeakPolarHBondContact O-CG 3.14Å; Q37-M41 PolarHBondContact O-N 3.17Å; Q37-W203 HydrophobicContact CB-CZ2 4.37Å
38	V	91.2	Very high	88.2	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-43.7	-179.6	-179.7	0	0	0	0	113.3	G34 Q35 I40 M41 H42 W58 F95 M119 V121 L149	G34-V38 PolarHBondContact O-N 3.46Å; Q35-V38 PolarHBondContact O-N 3.12Å; V38-I40 VanDerWaalsContact C-N 3.3Å; V38-I40 PolarHBondContact O-N 3.49Å; V38-M41 HydrophobicContact CG2-SD 4.43Å; V38-M41 PolarHBondContact O-N 3.44Å; V38-H42 WeakPolarHBondContact O-CB 3.48Å; V38-H42 PolarHBondContact O-N 2.92Å; V38-W58 HydrophobicContact CB-CZ3 4.32Å; V38-W58 HydrophobicContact CG1-CZ3 3.94Å; V38-W58 HydrophobicContact CG2-CH2 4.25Å; V38-W58 HydrophobicContact CG2-CZ3 4.3Å; V38-F95 HydrophobicContact CG1-CE1 4.06Å; V38-F95 HydrophobicContact CG1-CZ 4.16Å; V38-M119 HydrophobicContact CG1-CE 3.76Å; V38-V121 HydrophobicContact CG1-CG2 3.91Å; V38-V121 HydrophobicContact CG2-CG1 4.49Å; V38-L149 HydrophobicContact CG2-CD1 4.46Å; V38-L149 HydrophobicContact CG2-CD2 4.13Å
39	P	90.5	Very high	87.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-38	173.2	-24.5	33.6	0	0	0	113.8	Q35 D36 H42 Q43 I91 F92 F95	Q35-P39 WeakPolarHBondContact O-CD 3.44Å; D36-P39 WeakPolarHBondContact O-CD 3.39Å; P39-H42 PolarHBondContact O-N 2.7Å; P39-Q43 WeakPolarHBondContact O-CB 3.45Å; P39-Q43 VanDerWaalsContact O-CG 3.28Å; P39-Q43 WeakPolarHBondContact O-CG 3.45Å; P39-Q43 PolarHBondContact O-N 2.95Å; P39-I91 HydrophobicContact CB-CG2 3.77Å; P39-I91 HydrophobicContact CG-CG2 4.36Å; P39-F92 HydrophobicContact CG-CB 4.29Å; P39-F92 HydrophobicContact CG-CD2 4.01Å; P39-F95 HydrophobicContact CB-CB 3.93Å; P39-F95 HydrophobicContact CB-CD1 4.45Å; P39-F95 HydrophobicContact CB-CD2 4.18Å; P39-F95 HydrophobicContact CB-CG 3.96Å; P39-F95 HydrophobicContact CG-CB 3.79Å; P39-F95 HydrophobicContact CG-CD1 3.88Å; P39-F95 HydrophobicContact CG-CD2 4.48Å; P39-F95 HydrophobicContact CG-CG 3.83Å
40	I	90.2	Very high	87	Confident	49 Å²	49	46.4 Å²	46.4	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-71.1	-42.8	180	-61.7	168.5	0	0	0	109.7	Q37 V38 H42 Q43 I44 W203	Q37-I40 WeakPolarHBondContact O-CB 3.38Å; Q37-I40 PolarHBondContact O-N 3.32Å; V38-I40 VanDerWaalsContact C-N 3.3Å; V38-I40 PolarHBondContact O-N 3.49Å; I40-H42 VanDerWaalsContact C-N 3.32Å; I40-H42 PolarHBondContact O-N 2.95Å; I40-Q43 PolarHBondContact O-N 3.04Å; I40-I44 HydrophobicContact CG2-CD1 4Å; I40-I44 WeakPolarHBondContact O-CG1 3.4Å; I40-I44 PolarHBondContact O-N 2.8Å; I40-W203 HydrophobicContact CB-CZ2 4.13Å; I40-W203 HydrophobicContact CG2-CH2 4.48Å; I40-W203 HydrophobicContact CG2-CZ2 3.74Å
41	M	90.4	Very high	86.2	Confident	1 Å²	1	52 Å²	52	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-44.4	173.2	-61.1	159	90.3	0	0	111.3	F27 M29 Q37 V38 I44 L45 M119 L145 V147 W203	F27-M41 HydrophobicContact CB-CE 3.83Å; F27-M41 HydrophobicContact CD2-CE 3.57Å; F27-M41 HydrophobicContact CG-CE 4.19Å; M29-M41 HydrophobicContact CG-CE 4.01Å; M29-M41 HydrophobicContact CG-SD 4.23Å; M29-M41 HydrophobicContact SD-CE 3.99Å; M29-M41 HydrophobicContact SD-SD 4.27Å; Q37-M41 HydrophobicContact CB-SD 4.42Å; Q37-M41 VanDerWaalsContact O-CG 3.31Å; Q37-M41 WeakPolarHBondContact O-CG 3.14Å; Q37-M41 PolarHBondContact O-N 3.17Å; V38-M41 HydrophobicContact CG2-SD 4.43Å; V38-M41 PolarHBondContact O-N 3.44Å; M41-I44 PolarHBondContact O-N 2.94Å; M41-L45 WeakPolarHBondContact O-CB 3.5Å; M41-L45 PolarHBondContact O-N 3.31Å; M41-M119 HydrophobicContact CB-CE 3.85Å; M41-L145 HydrophobicContact CB-CD2 4.2Å; M41-L145 HydrophobicContact CE-CD2 4.44Å; M41-V147 HydrophobicContact CE-CB 4.17Å; M41-V147 HydrophobicContact CE-CG1 3.64Å; M41-V147 HydrophobicContact CE-CG2 3.49Å; M41-V147 VanDerWaalsContact CE-CG2 3.49Å; M41-V147 HydrophobicContact SD-CG1 4.28Å; M41-V147 HydrophobicContact SD-CG2 4.42Å; M41-W203 HydrophobicContact CB-CH2 4.36Å; M41-W203 HydrophobicContact CG-CH2 3.41Å; M41-W203 VanDerWaalsContact CG-CH2 3.41Å; M41-W203 HydrophobicContact CG-CZ2 3.73Å; M41-W203 HydrophobicContact CG-CZ3 4.43Å
42	H	90.6	Very high	85.8	Confident	20 Å²	20	53.5 Å²	53.5	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-42.8	175	174.1	-90.3	0	0	0	112.4	V38 P39 I40 I44 L45 N46 F95 M119	V38-H42 WeakPolarHBondContact O-CB 3.48Å; V38-H42 PolarHBondContact O-N 2.92Å; P39-H42 PolarHBondContact O-N 2.7Å; I40-H42 VanDerWaalsContact C-N 3.32Å; I40-H42 PolarHBondContact O-N 2.95Å; H42-I44 PolarHBondContact O-N 3.44Å; H42-L45 PolarHBondContact O-N 2.88Å; H42-N46 WeakPolarHBondContact O-CB 3.33Å; H42-N46 PolarHBondContact O-N 3.33Å; H42-F95 HydrophobicContact CB-CE2 3.75Å; H42-F95 HydrophobicContact CB-CZ 4.23Å; H42-F95 AromaticContact CG-CE2 3.61Å; H42-F95 AromaticContact ND1-CE2 3.79Å; H42-M119 HydrophobicContact CB-SD 3.93Å
43	Q	88.5	Confident	85.8	Confident	111 Å²	111	59.6 Å²	59.6	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-42.5	175.6	-77.1	171.7	-4.2	0	0	112.1	P39 I40 N46 S47	P39-Q43 WeakPolarHBondContact O-CB 3.45Å; P39-Q43 VanDerWaalsContact O-CG 3.28Å; P39-Q43 WeakPolarHBondContact O-CG 3.45Å; P39-Q43 PolarHBondContact O-N 2.95Å; I40-Q43 PolarHBondContact O-N 3.04Å; Q43-N46 PolarHBondContact O-N 2.91Å; Q43-S47 WeakPolarHBondContact O-CB 3.31Å; Q43-S47 PolarHBondContact O-N 2.9Å; Q43-S47 PolarHBondContact O-OG 3.43Å
44	I	89	Confident	86	Confident	18 Å²	18	54.1 Å²	54.1	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-47.7	175.1	-66.1	164.9	0	0	0	110.2	L7 Q12 L15 I40 M41 H42 N46 S47 L48 W203	L7-I44 HydrophobicContact CD1-CD1 4Å; L7-I44 HydrophobicContact CD2-CD1 4.21Å; Q12-I44 HydrophobicContact CG-CG2 4.26Å; L15-I44 HydrophobicContact CD1-CG2 3.71Å; I40-I44 HydrophobicContact CG2-CD1 4Å; I40-I44 WeakPolarHBondContact O-CG1 3.4Å; I40-I44 PolarHBondContact O-N 2.8Å; M41-I44 PolarHBondContact O-N 2.94Å; H42-I44 PolarHBondContact O-N 3.44Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 2.83Å; I44-S47 PolarHBondContact O-N 3.49Å; I44-S47 PolarHBondContact O-OG 3.07Å; I44-L48 HydrophobicContact CG2-CD1 4Å; I44-L48 WeakPolarHBondContact O-CG 3.5Å; I44-L48 PolarHBondContact O-N 3.39Å; I44-L48 VanDerWaalsContact O-N 3.14Å; I44-W203 HydrophobicContact CD1-CH2 3.98Å
45	L	90.1	Very high	86.3	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-41	178.1	-172	61.9	0	0	0	112.3	I19 M41 H42 L48 S49 L54 L145	I19-L45 HydrophobicContact CD1-CD1 4.21Å; M41-L45 WeakPolarHBondContact O-CB 3.5Å; M41-L45 PolarHBondContact O-N 3.31Å; H42-L45 PolarHBondContact O-N 2.88Å; L45-L48 PolarHBondContact O-N 2.69Å; L45-S49 WeakPolarHBondContact O-CB 3.17Å; L45-S49 PolarHBondContact O-N 2.85Å; L45-L54 HydrophobicContact CB-CD1 4Å; L45-L54 HydrophobicContact CD2-CD1 3.82Å; L45-L54 HydrophobicContact CG-CD1 3.66Å; L45-L145 HydrophobicContact CD2-CB 3.9Å
46	N	89.2	Confident	86.6	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-72.5	-26.6	178.4	-172.8	82.1	0	0	0	113.2	H42 Q43 I44 G52 L54	H42-N46 WeakPolarHBondContact O-CB 3.33Å; H42-N46 PolarHBondContact O-N 3.33Å; Q43-N46 PolarHBondContact O-N 2.91Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 2.83Å; N46-G52 PolarHBondContact OD1-O 3.4Å; N46-L54 HydrophobicContact CB-CD1 3.94Å; N46-L54 HydrophobicContact CB-CG 4.47Å
47	S	88.1	Confident	86.9	Confident	93 Å²	93	50.1 Å²	50.1	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-77.1	-25.5	172.9	70.8	0	0	0	0	113.3	Q43 I44	Q43-S47 WeakPolarHBondContact O-CB 3.31Å; Q43-S47 PolarHBondContact O-N 2.9Å; Q43-S47 PolarHBondContact O-OG 3.43Å; I44-S47 PolarHBondContact O-N 3.49Å; I44-S47 PolarHBondContact O-OG 3.07Å
48	L	86.9	Confident	87.1	Confident	56 Å²	56	49 Å²	49	29%	0.293	26%	0.263	S	S	.	.	H	α-helix	trans	-93	-18.5	176.9	-64.6	172.6	0	0	0	113.4	L15 I19 I44 L45	L15-L48 HydrophobicContact CB-CD1 3.67Å; L15-L48 HydrophobicContact CD1-CD1 4.35Å; I19-L48 HydrophobicContact CD1-CB 3.55Å; I44-L48 HydrophobicContact CG2-CD1 4Å; I44-L48 WeakPolarHBondContact O-CG 3.5Å; I44-L48 PolarHBondContact O-N 3.39Å; I44-L48 VanDerWaalsContact O-N 3.14Å; L45-L48 PolarHBondContact O-N 2.69Å
49	S	81.9	Confident	87.2	Confident	12 Å²	12	49.1 Å²	49.1	8%	0.084	26%	0.264	C	S	.	.			trans	-107	115.5	-176.8	-177.9	0	0	0	0	111.5	L45 K51	L45-S49 WeakPolarHBondContact O-CB 3.17Å; L45-S49 PolarHBondContact O-N 2.85Å; S49-K51 PolarHBondContact O-N 2.85Å; S49-K51 WeakPolarHBondContact OG-CG 3.4Å
50	S	74	Confident	87.2	Confident	129 Å²	129	49.3 Å²	49.3	90%	0.902	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	4.7	176.2	53.2	0	0	0	0	114.6	G52	S50-G52 PolarHBondContact O-N 2.82Å
51	K	71.6	Confident	86.9	Confident	120 Å²	120	50.3 Å²	50.3	52%	0.522	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.2	-175.3	-63.5	-176.5	-170.4	175.7	0	115	S49 D118 S141 G142	S49-K51 PolarHBondContact O-N 2.85Å; S49-K51 WeakPolarHBondContact OG-CG 3.4Å; K51-D118 IonicContact NZ-OD1 2.75Å; K51-D118 PolarHBondContact NZ-OD1 2.68Å; K51-S141 PolarHBondContact NZ-OG 2.99Å; K51-G142 PolarHBondContact NZ-O 3.2Å
52	G	78.8	Confident	86.1	Confident	40 Å²	40	57.6 Å²	57.6	41%	0.412	30%	0.299	S	S	.	.	S	Bend	trans	83.1	-145	-171.6	0	0	0	0	0	112.2	N46 S50 L54	N46-G52 PolarHBondContact OD1-O 3.4Å; S50-G52 PolarHBondContact O-N 2.82Å; G52-L54 PolarHBondContact O-N 2.85Å
53	R	81.9	Confident	84.9	Confident	252 Å²	252	65.2 Å²	65.2	95%	0.951	33%	0.334	S	S	*	.	S	Bend	trans	-64	118.2	-175.6	-68.2	-176.5	-177.6	164.1	3.3	111.2
54	L	87.4	Confident	84.1	Confident	12 Å²	12	61 Å²	61	6%	0.063	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-76.5	147.5	178.2	-56	179.1	0	0	0	112	L45 N46 G52 D118	L45-L54 HydrophobicContact CB-CD1 4Å; L45-L54 HydrophobicContact CD2-CD1 3.82Å; L45-L54 HydrophobicContact CG-CD1 3.66Å; N46-L54 HydrophobicContact CB-CD1 3.94Å; N46-L54 HydrophobicContact CB-CG 4.47Å; G52-L54 PolarHBondContact O-N 2.85Å; L54-D118 HydrophobicContact CB-CB 4.2Å; L54-D118 HydrophobicContact CD2-CB 4.23Å
55	S	89.7	Confident	82.8	Confident	40 Å²	40	65.2 Å²	65.2	28%	0.28	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-93.7	132	177.2	57.4	0	0	0	0	111.9	F117 D118 M119	S55-F117 WeakPolarHBondContact OG-CA 3.46Å; S55-D118 PolarHBondContact N-OD2 3.17Å; S55-D118 PolarHBondContact O-N 3.04Å; S55-D118 PolarHBondContact OG-N 3.35Å; S55-D118 PolarHBondContact OG-OD2 3.12Å; S55-M119 PolarHBondContact O-N 3.34Å
56	I	93.3	Very high	81.9	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	-174.3	-56.3	153.3	0	0	0	110.9	F95 T99 I101 R102 M119	I56-F95 HydrophobicContact CD1-CE2 3.82Å; I56-F95 HydrophobicContact CD1-CZ 3.59Å; I56-T99 HydrophobicContact CD1-CG2 4.11Å; I56-I101 HydrophobicContact CB-CG1 4.24Å; I56-I101 HydrophobicContact CD1-CG1 4.07Å; I56-I101 HydrophobicContact CG2-CG1 4.3Å; I56-I101 HydrophobicContact CG2-CG2 4.18Å; I56-R102 PolarHBondContact O-N 3.49Å; I56-M119 WeakPolarHBondContact CA-O 3.15Å; I56-M119 HydrophobicContact CG1-CB 4.29Å
57	L	93.2	Very high	81	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.1	167.2	173.3	64.7	0	0	0	109.6	R102 C104 I112 F117 M119 C120 V121	L57-R102 HydrophobicContact CD1-CB 4.37Å; L57-R102 HydrophobicContact CD1-CG 4.34Å; L57-C104 HydrophobicContact CD1-CB 3.87Å; L57-I112 HydrophobicContact CD1-CD1 4.22Å; L57-I112 HydrophobicContact CD1-CG2 4.01Å; L57-I112 HydrophobicContact CD2-CD1 3.67Å; L57-F117 HydrophobicContact CB-CB 4.07Å; L57-F117 HydrophobicContact CB-CD1 3.94Å; L57-F117 HydrophobicContact CB-CD2 3.77Å; L57-F117 HydrophobicContact CB-CE1 4.36Å; L57-F117 HydrophobicContact CB-CE2 4.21Å; L57-F117 HydrophobicContact CB-CG 3.64Å; L57-F117 HydrophobicContact CB-CZ 4.49Å; L57-F117 HydrophobicContact CD1-CE2 4.27Å; L57-F117 HydrophobicContact CD1-CZ 4.43Å; L57-F117 HydrophobicContact CD2-CD2 3.87Å; L57-F117 HydrophobicContact CD2-CE2 4.13Å; L57-F117 HydrophobicContact CG-CD2 4.29Å; L57-F117 HydrophobicContact CG-CE2 4.44Å; L57-M119 PolarHBondContact N-O 3.06Å; L57-C120 WeakPolarHBondContact O-CA 3.49Å; L57-V121 PolarHBondContact O-N 3.41Å
58	W	93.6	Very high	80.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.8	174.6	-166.1	-65.5	0	0	0	110.4	Q35 V38 F92 I101 R102 W103 C104 V121 Q123 L149	Q35-W58 HydrophobicContact CG-CH2 4.44Å; Q35-W58 HydrophobicContact CG-CZ2 4.38Å; V38-W58 HydrophobicContact CB-CZ3 4.32Å; V38-W58 HydrophobicContact CG1-CZ3 3.94Å; V38-W58 HydrophobicContact CG2-CH2 4.25Å; V38-W58 HydrophobicContact CG2-CZ3 4.3Å; W58-F92 AromaticContact CH2-CE2 3.6Å; W58-F92 HydrophobicContact CH2-CE2 3.6Å; W58-F92 AromaticContact CH2-CZ 3.81Å; W58-F92 HydrophobicContact CH2-CZ 3.81Å; W58-F92 HydrophobicContact CZ2-CZ 4.41Å; W58-F92 AromaticContact CZ3-CE2 3.89Å; W58-F92 HydrophobicContact CZ3-CE2 3.89Å; W58-F92 HydrophobicContact CZ3-CZ 4.26Å; W58-I101 HydrophobicContact CB-CG2 3.75Å; W58-R102 PolarHBondContact N-O 3.11Å; W58-W103 HydrophobicContact CB-CE3 3.79Å; W58-W103 HydrophobicContact CB-CZ3 3.67Å; W58-W103 AromaticContact CD1-CZ3 3.67Å; W58-W103 HydrophobicContact CD2-CH2 4.36Å; W58-W103 AromaticContact CD2-CZ3 3.79Å; W58-W103 HydrophobicContact CD2-CZ3 3.79Å; W58-W103 HydrophobicContact CE3-CZ3 4.39Å; W58-W103 AromaticContact CG-CE3 3.92Å; W58-W103 HydrophobicContact CG-CE3 3.92Å; W58-W103 HydrophobicContact CG-CH2 4.35Å; W58-W103 AromaticContact CG-CZ3 3.43Å; W58-W103 HydrophobicContact CG-CZ3 3.43Å; W58-W103 VanDerWaalsContact CG-CZ3 3.43Å; W58-C104 PolarHBondContact O-N 3Å; W58-V121 HydrophobicContact CD2-CB 3.97Å; W58-V121 HydrophobicContact CD2-CG1 3.95Å; W58-V121 HydrophobicContact CD2-CG2 4.5Å; W58-V121 HydrophobicContact CE3-CB 3.9Å; W58-V121 HydrophobicContact CE3-CG1 3.97Å; W58-V121 HydrophobicContact CE3-CG2 3.92Å; W58-V121 HydrophobicContact CG-CB 4.34Å; W58-V121 HydrophobicContact CH2-CG1 4.09Å; W58-V121 HydrophobicContact CZ2-CG1 4.07Å; W58-V121 HydrophobicContact CZ3-CB 4.37Å; W58-V121 HydrophobicContact CZ3-CG1 4.05Å; W58-V121 HydrophobicContact CZ3-CG2 4.18Å; W58-Q123 VanDerWaalsContact NE1-OE1 3.17Å; W58-L149 HydrophobicContact CH2-CD1 4.35Å; W58-L149 HydrophobicContact CZ2-CD1 4.16Å
59	C	91.9	Very high	79.5	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.8	-177.6	-58.5	0	0	0	0	111.7	C104 Y106 V121 L122 Q123	C59-C104 WeakPolarHBondContact CA-O 3.38Å; C59-Y106 HydrophobicContact CB-CD1 3.84Å; C59-Y106 HydrophobicContact CB-CE1 3.45Å; C59-Y106 VanDerWaalsContact CB-CE1 3.45Å; C59-V121 PolarHBondContact N-O 3.07Å; C59-L122 HydrophobicContact CB-CD2 3.87Å; C59-Q123 PolarHBondContact O-N 2.96Å; C59-Q123 VanDerWaalsContact O-N 3.13Å
60	Y	90.9	Very high	79	Confident	6 Å²	6	70.7 Å²	70.7	2%	0.024	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	163.7	-171.6	63.4	-75.3	0	0	0	112	K62 L64 W103 C104 Y105 Y106	Y60-K62 WeakPolarHBondContact CD2-O 3.49Å; Y60-L64 HydrophobicContact CD1-CD1 4.28Å; Y60-L64 HydrophobicContact CD1-CD2 4.46Å; Y60-L64 HydrophobicContact CD2-CD1 4.16Å; Y60-L64 HydrophobicContact CD2-CD2 3.92Å; Y60-L64 HydrophobicContact CD2-CG 3.72Å; Y60-L64 HydrophobicContact CE1-CD1 4.14Å; Y60-L64 HydrophobicContact CE2-CD1 3.98Å; Y60-L64 HydrophobicContact CE2-CG 3.87Å; Y60-L64 HydrophobicContact CG-CD1 4.31Å; Y60-L64 HydrophobicContact CG-CD2 3.87Å; Y60-L64 HydrophobicContact CG-CG 4.09Å; Y60-W103 HydrophobicContact CE1-CB 4.08Å; Y60-W103 HydrophobicContact CE1-CE3 4.21Å; Y60-C104 VanDerWaalsContact CD1-O 3.29Å; Y60-C104 WeakPolarHBondContact CD1-O 3.45Å; Y60-C104 WeakPolarHBondContact CE1-O 3.33Å; Y60-C104 PolarHBondContact N-O 3.17Å; Y60-Y105 HydrophobicContact CD2-CD1 4.3Å; Y60-Y105 HydrophobicContact CD2-CE1 4.24Å; Y60-Y105 AromaticContact CE2-CD1 3.79Å; Y60-Y105 HydrophobicContact CE2-CD1 3.79Å; Y60-Y105 AromaticContact CE2-CE1 3.43Å; Y60-Y105 HydrophobicContact CE2-CE1 3.43Å; Y60-Y105 VanDerWaalsContact CE2-CE1 3.43Å; Y60-Y105 AromaticContact CE2-CZ 3.92Å; Y60-Y105 AromaticContact CZ-CE1 3.86Å; Y60-Y105 AromaticContact CZ-CZ 3.96Å; Y60-Y105 WeakPolarHBondContact O-CA 3.4Å; Y60-Y106 VanDerWaalsContact C-CE2 3.49Å; Y60-Y106 VanDerWaalsContact O-CD2 3.32Å; Y60-Y106 WeakPolarHBondContact O-CD2 3.32Å; Y60-Y106 PolarHBondContact O-N 3.22Å; Y60-Y106 VanDerWaalsContact O-N 3.12Å
61	K	84.6	Confident	79	Confident	69 Å²	69	73.2 Å²	73.2	30%	0.3	35%	0.352	S	S	.	.	S	Bend	trans	-102.5	-65.3	-176.7	-179.3	-156.5	-179.6	170.7	0	113.3	Y106 D124 A127 D165	K61-Y106 HydrophobicContact CB-CD2 3.91Å; K61-Y106 HydrophobicContact CB-CE2 4.09Å; K61-D124 HydrophobicContact CB-CB 4.29Å; K61-D124 PolarHBondContact N-OD2 2.94Å; K61-A127 HydrophobicContact CB-CB 4.01Å; K61-A127 HydrophobicContact CD-CB 4.09Å; K61-A127 HydrophobicContact CG-CB 4.13Å; K61-D165 WeakPolarHBondContact CD-OD2 3.45Å; K61-D165 WeakPolarHBondContact CE-OD2 3.42Å; K61-D165 IonicContact NZ-OD1 2.68Å; K61-D165 PolarHBondContact NZ-OD1 3.22Å; K61-D165 IonicContact NZ-OD2 3.01Å; K61-D165 PolarHBondContact NZ-OD2 3.46Å
62	K	73.7	Confident	79.3	Confident	155 Å²	155	73.2 Å²	73.2	67%	0.674	35%	0.352	S	S	*	.	S	Bend	trans	-101.3	168.1	-177.7	-75.3	-171.1	173.2	-172.8	0	110.3	Y60 L64	Y60-K62 WeakPolarHBondContact CD2-O 3.49Å; K62-L64 PolarHBondContact O-N 3.37Å
63	E	64.5	Low	79.1	Confident	179 Å²	179	72 Å²	72	84%	0.836	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-49.6	134.4	-179.5	-62.3	-158.3	143.4	0	0	112.8
64	L	71.1	Confident	78.8	Confident	22 Å²	22	64.2 Å²	64.2	12%	0.115	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-70.1	150.5	177.6	-63.7	164.7	0	0	0	109.8	Y60 K62 F66 T68 W103	Y60-L64 HydrophobicContact CD1-CD1 4.28Å; Y60-L64 HydrophobicContact CD1-CD2 4.46Å; Y60-L64 HydrophobicContact CD2-CD1 4.16Å; Y60-L64 HydrophobicContact CD2-CD2 3.92Å; Y60-L64 HydrophobicContact CD2-CG 3.72Å; Y60-L64 HydrophobicContact CE1-CD1 4.14Å; Y60-L64 HydrophobicContact CE2-CD1 3.98Å; Y60-L64 HydrophobicContact CE2-CG 3.87Å; Y60-L64 HydrophobicContact CG-CD1 4.31Å; Y60-L64 HydrophobicContact CG-CD2 3.87Å; Y60-L64 HydrophobicContact CG-CG 4.09Å; K62-L64 PolarHBondContact O-N 3.37Å; L64-F66 HydrophobicContact CB-CD1 4.25Å; L64-F66 HydrophobicContact CB-CE1 4.04Å; L64-F66 HydrophobicContact CB-CE2 4.31Å; L64-F66 HydrophobicContact CB-CG 4.48Å; L64-F66 HydrophobicContact CB-CZ 4.07Å; L64-F66 WeakPolarHBondContact CB-O 3.47Å; L64-F66 HydrophobicContact CD1-CE2 3.88Å; L64-F66 HydrophobicContact CD1-CZ 3.84Å; L64-F66 HydrophobicContact CD2-CE1 4.28Å; L64-F66 HydrophobicContact CD2-CZ 4.09Å; L64-F66 HydrophobicContact CG-CZ 4.22Å; L64-F66 PolarHBondContact O-N 2.95Å; L64-T68 HydrophobicContact CD1-CG2 3.89Å; L64-W103 HydrophobicContact CD1-CD2 4.43Å; L64-W103 HydrophobicContact CD1-CE3 3.59Å; L64-W103 HydrophobicContact CD1-CZ3 3.63Å
65	S	63.4	Low	78.4	Confident	107 Å²	107	71.4 Å²	71.4	75%	0.748	34%	0.344	S	S	*	.	S	Bend	trans	-65.2	1.7	174.8	50.7	0	0	0	0	114.4
66	F	70.4	Confident	77.9	Confident	29 Å²	29	73.4 Å²	73.4	13%	0.127	35%	0.35	C	S	.	.	S	Bend	trans	-145.7	156.6	179.9	58.5	-88.8	0	0	0	108.6	L64 F92 V96 W103	L64-F66 HydrophobicContact CB-CD1 4.25Å; L64-F66 HydrophobicContact CB-CE1 4.04Å; L64-F66 HydrophobicContact CB-CE2 4.31Å; L64-F66 HydrophobicContact CB-CG 4.48Å; L64-F66 HydrophobicContact CB-CZ 4.07Å; L64-F66 WeakPolarHBondContact CB-O 3.47Å; L64-F66 HydrophobicContact CD1-CE2 3.88Å; L64-F66 HydrophobicContact CD1-CZ 3.84Å; L64-F66 HydrophobicContact CD2-CE1 4.28Å; L64-F66 HydrophobicContact CD2-CZ 4.09Å; L64-F66 HydrophobicContact CG-CZ 4.22Å; L64-F66 PolarHBondContact O-N 2.95Å; F66-F92 AromaticContact CD1-CE1 3.74Å; F66-F92 HydrophobicContact CD1-CE1 3.74Å; F66-F92 HydrophobicContact CD1-CZ 4.33Å; F66-F92 AromaticContact CE1-CE1 3.53Å; F66-F92 HydrophobicContact CE1-CE1 3.53Å; F66-F92 AromaticContact CE1-CZ 3.65Å; F66-F92 HydrophobicContact CE1-CZ 3.65Å; F66-F92 HydrophobicContact CE2-CE1 4.49Å; F66-F92 HydrophobicContact CG-CE1 4.31Å; F66-F92 AromaticContact CZ-CE1 3.94Å; F66-F92 HydrophobicContact CZ-CE1 3.94Å; F66-F92 AromaticContact CZ-CZ 3.76Å; F66-F92 HydrophobicContact CZ-CZ 3.76Å; F66-V96 HydrophobicContact CD2-CG1 4.22Å; F66-V96 HydrophobicContact CE2-CG1 4.25Å; F66-V96 HydrophobicContact CE2-CG2 4.34Å; F66-W103 AromaticContact CE2-CH2 3.43Å; F66-W103 HydrophobicContact CE2-CH2 3.43Å; F66-W103 VanDerWaalsContact CE2-CH2 3.43Å; F66-W103 HydrophobicContact CE2-CZ2 4.04Å; F66-W103 AromaticContact CE2-CZ3 3.85Å; F66-W103 HydrophobicContact CE2-CZ3 3.85Å; F66-W103 AromaticContact CZ-CH2 3.78Å; F66-W103 HydrophobicContact CZ-CH2 3.78Å; F66-W103 AromaticContact CZ-CZ3 3.91Å; F66-W103 HydrophobicContact CZ-CZ3 3.91Å
67	S	70.1	Confident	77	Confident	38 Å²	38	73.9 Å²	73.9	27%	0.266	35%	0.353	S	S	.	.			trans	-76.6	144.2	-177.4	-159.6	0	0	0	0	111.7	H69 N73	S67-H69 PolarHBondContact O-N 3.07Å; S67-N73 WeakPolarHBondContact CA-OD1 3.27Å; S67-N73 WeakPolarHBondContact CB-OD1 3.4Å; S67-N73 PolarHBondContact N-OD1 3.44Å; S67-N73 VanDerWaalsContact N-OD1 3.13Å; S67-N73 VanDerWaalsContact O-CG 3.28Å; S67-N73 PolarHBondContact O-ND2 2.81Å; S67-N73 PolarHBondContact O-OD1 2.81Å; S67-N73 VanDerWaalsContact O-OD1 3.13Å
68	T	71.1	Confident	76.4	Confident	44 Å²	44	77.1 Å²	77.1	27%	0.27	37%	0.37	S	S	.	.	S	Bend	trans	-65.3	-28	170.1	51.5	0	0	0	0	112.5	L64 R70 W103	L64-T68 HydrophobicContact CD1-CG2 3.89Å; T68-R70 PolarHBondContact O-N 3.17Å; T68-W103 HydrophobicContact CG2-CB 4.15Å; T68-W103 HydrophobicContact CG2-CD2 3.94Å; T68-W103 HydrophobicContact CG2-CE3 4.39Å; T68-W103 HydrophobicContact CG2-CG 3.77Å; T68-W103 PolarHBondContact O-NE1 3.21Å
69	H	72	Confident	75.8	Confident	101 Å²	101	84.7 Å²	84.7	47%	0.468	40%	0.403	S	S	.	.			trans	-79.3	108.6	-177.2	-60.9	-83.3	0	0	0	112	S67 K71 K72 N73	S67-H69 PolarHBondContact O-N 3.07Å; H69-K71 PolarHBondContact O-N 3.4Å; H69-K72 HydrophobicContact CB-CB 4.02Å; H69-K72 HydrophobicContact CB-CD 4.03Å; H69-K72 HydrophobicContact CB-CG 3.84Å; H69-K72 PolarHBondContact CD2-NZ 3.1Å; H69-K72 WeakPolarHBondContact O-CA 3.49Å; H69-K72 WeakPolarHBondContact O-CB 3.31Å; H69-K72 PolarHBondContact O-N 3.06Å; H69-N73 PolarHBondContact O-N 3.15Å
70	R	71.6	Confident	75.1	Confident	138 Å²	138	89 Å²	89	52%	0.521	42%	0.419	S	S	.	.	H	α-helix	trans	-42.5	-42	170.1	-167	178.3	-173	172.7	9.4	114	T68 L74 C97 S98	T68-R70 PolarHBondContact O-N 3.17Å; R70-L74 WeakPolarHBondContact O-CB 3.29Å; R70-L74 PolarHBondContact O-N 3.17Å; R70-C97 VanDerWaalsContact CZ-O 3.23Å; R70-C97 PolarHBondContact NE-O 2.72Å; R70-C97 PolarHBondContact NH2-O 2.98Å; R70-S98 PolarHBondContact NH2-O 2.92Å
71	K	75.1	Confident	74.5	Confident	182 Å²	182	94.5 Å²	94.5	79%	0.791	44%	0.44	S	S	*	.	H	α-helix	trans	-68	-31.6	176.5	-70	-176.5	179.4	177.6	0	113.9	H69 K75	H69-K71 PolarHBondContact O-N 3.4Å; K71-K75 WeakPolarHBondContact O-CG 3.39Å; K71-K75 PolarHBondContact O-N 3.39Å
72	K	77.7	Confident	74.3	Confident	120 Å²	120	100.5 Å²	100.5	52%	0.522	47%	0.466	S	S	.	.	H	α-helix	trans	-76	-44.5	174.4	-66.9	-176.8	-175.5	169.7	0	110.2	H69 K75 L76	H69-K72 HydrophobicContact CB-CB 4.02Å; H69-K72 HydrophobicContact CB-CD 4.03Å; H69-K72 HydrophobicContact CB-CG 3.84Å; H69-K72 PolarHBondContact CD2-NZ 3.1Å; H69-K72 WeakPolarHBondContact O-CA 3.49Å; H69-K72 WeakPolarHBondContact O-CB 3.31Å; H69-K72 PolarHBondContact O-N 3.06Å; K72-K75 WeakPolarHBondContact O-CB 3.32Å; K72-K75 PolarHBondContact O-N 3.18Å; K72-L76 PolarHBondContact O-N 3.07Å
73	N	73.3	Confident	74.6	Confident	15 Å²	15	96.2 Å²	96.2	8%	0.08	46%	0.46	C	S	.	.	H	α-helix	trans	-60.7	-47.2	176.5	-70.3	-6.7	0	0	0	112.2	S67 H69 K75 L76 L77 V96	S67-N73 WeakPolarHBondContact CA-OD1 3.27Å; S67-N73 WeakPolarHBondContact CB-OD1 3.4Å; S67-N73 PolarHBondContact N-OD1 3.44Å; S67-N73 VanDerWaalsContact N-OD1 3.13Å; S67-N73 VanDerWaalsContact O-CG 3.28Å; S67-N73 PolarHBondContact O-ND2 2.81Å; S67-N73 PolarHBondContact O-OD1 2.81Å; S67-N73 VanDerWaalsContact O-OD1 3.13Å; H69-N73 PolarHBondContact O-N 3.15Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 2.88Å; N73-L76 PolarHBondContact O-N 2.97Å; N73-L77 VanDerWaalsContact O-CB 3.26Å; N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 PolarHBondContact O-N 3.43Å; N73-V96 WeakPolarHBondContact ND2-CG1 3.16Å
74	L	76	Confident	74.8	Confident	87 Å²	87	90.9 Å²	90.9	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-61.2	-35.8	177.5	-173.2	63	0	0	0	112.2	R70 N78	R70-L74 WeakPolarHBondContact O-CB 3.29Å; R70-L74 PolarHBondContact O-N 3.17Å; L74-N78 WeakPolarHBondContact O-CB 3.45Å; L74-N78 PolarHBondContact O-N 3.14Å; L74-N78 PolarHBondContact O-ND2 2.71Å
75	K	80.3	Confident	74.5	Confident	164 Å²	164	96.3 Å²	96.3	71%	0.713	48%	0.481	S	S	*	.	H	α-helix	trans	-66.4	-42.4	171.7	-78.4	-179.5	175.4	-170.7	0	112.3	K71 K72 N73 K79	K71-K75 WeakPolarHBondContact O-CG 3.39Å; K71-K75 PolarHBondContact O-N 3.39Å; K72-K75 WeakPolarHBondContact O-CB 3.32Å; K72-K75 PolarHBondContact O-N 3.18Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 2.88Å; K75-K79 WeakPolarHBondContact O-CB 3.25Å; K75-K79 PolarHBondContact O-N 3.32Å
76	L	78	Confident	74.4	Confident	81 Å²	81	94.1 Å²	94.1	42%	0.424	46%	0.463	S	S	.	.	H	α-helix	trans	-66.7	-46.4	179.2	-176.9	64.3	0	0	0	111.9	K72 N73 K79 R80	K72-L76 PolarHBondContact O-N 3.07Å; N73-L76 PolarHBondContact O-N 2.97Å; L76-K79 WeakPolarHBondContact O-CA 3.45Å; L76-K79 WeakPolarHBondContact O-CB 3.32Å; L76-K79 PolarHBondContact O-N 3.4Å; L76-K79 VanDerWaalsContact O-N 3.12Å; L76-R80 PolarHBondContact O-N 3.5Å
77	L	75	Confident	73.8	Confident	13 Å²	13	97.1 Å²	97.1	7%	0.068	49%	0.488	C	S	.	.	H	α-helix	trans	-60.2	-46	175.5	-173.2	164.5	0	0	0	110.7	N73 K79 R80 R81 A89 E93	N73-L77 VanDerWaalsContact O-CB 3.26Å; N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 PolarHBondContact O-N 3.43Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.36Å; L77-R80 PolarHBondContact O-N 3.01Å; L77-R81 HydrophobicContact CD2-CG 4.42Å; L77-R81 PolarHBondContact O-N 2.82Å; L77-A89 HydrophobicContact CD1-CB 3.69Å; L77-A89 HydrophobicContact CD2-CB 4.31Å; L77-A89 HydrophobicContact CG-CB 4.03Å; L77-E93 HydrophobicContact CD1-CB 4.34Å
78	N	80.1	Confident	73.4	Confident	68 Å²	68	100.8 Å²	100.8	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-66.5	-30.8	174	-71.8	-16.2	0	0	0	112.8	L74 K82	L74-N78 WeakPolarHBondContact O-CB 3.45Å; L74-N78 PolarHBondContact O-N 3.14Å; L74-N78 PolarHBondContact O-ND2 2.71Å; N78-K82 WeakPolarHBondContact O-CB 3.48Å; N78-K82 VanDerWaalsContact O-CG 3.31Å; N78-K82 WeakPolarHBondContact O-CG 3.38Å; N78-K82 PolarHBondContact O-N 3.27Å
79	K	81.1	Confident	73.2	Confident	158 Å²	158	99.1 Å²	99.1	69%	0.687	50%	0.495	S	S	*	.	H	α-helix	trans	-68.3	-43.4	172.5	-173	179.7	178.2	-176.2	0	111.4	K75 L76 L77 K82 A83	K75-K79 WeakPolarHBondContact O-CB 3.25Å; K75-K79 PolarHBondContact O-N 3.32Å; L76-K79 WeakPolarHBondContact O-CA 3.45Å; L76-K79 WeakPolarHBondContact O-CB 3.32Å; L76-K79 PolarHBondContact O-N 3.4Å; L76-K79 VanDerWaalsContact O-N 3.12Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.36Å; K79-K82 PolarHBondContact O-N 3.2Å; K79-A83 WeakPolarHBondContact O-CB 3.26Å; K79-A83 PolarHBondContact O-N 2.72Å
80	R	76.3	Confident	73.4	Confident	93 Å²	93	97.7 Å²	97.7	35%	0.351	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-45.8	175.8	-73.5	179.9	-179.8	158.7	-5.2	112.2	L76 L77 K82 A83 G84 L85 E93	L76-R80 PolarHBondContact O-N 3.5Å; L77-R80 PolarHBondContact O-N 3.01Å; R80-K82 PolarHBondContact O-N 3.42Å; R80-A83 CarbonylContact O-C 3.58Å; R80-A83 PolarHBondContact O-N 3.24Å; R80-A83 VanDerWaalsContact O-N 3.12Å; R80-G84 PolarHBondContact O-N 3.48Å; R80-L85 PolarHBondContact O-N 2.95Å; R80-E93 IonicContact CZ-OE1 3.71Å; R80-E93 IonicContact NH1-OE1 3.86Å; R80-E93 PolarHBondContact NH1-OE1 3.05Å; R80-E93 IonicContact NH1-OE2 2.66Å; R80-E93 PolarHBondContact NH1-OE2 3.36Å
81	R	78.1	Confident	74	Confident	121 Å²	121	95.8 Å²	95.8	46%	0.457	49%	0.493	S	S	.	.	H	α-helix	trans	-57.3	-47.6	172.6	-78.4	-179.3	165.5	161.6	-7	112.3	L77 A83 G84	L77-R81 HydrophobicContact CD2-CG 4.42Å; L77-R81 PolarHBondContact O-N 2.82Å; R81-A83 PolarHBondContact O-N 2.92Å; R81-G84 PolarHBondContact O-N 2.97Å; R81-G84 VanDerWaalsContact O-N 3.09Å
82	K	81.6	Confident	74.4	Confident	195 Å²	195	87.8 Å²	87.8	85%	0.848	46%	0.458	S	S	*	.	H	α-helix	trans	-64.1	-24.2	176.1	-77.8	-174.9	174.8	-163.6	0	113.9	N78 K79 R80 G84	N78-K82 WeakPolarHBondContact O-CB 3.48Å; N78-K82 VanDerWaalsContact O-CG 3.31Å; N78-K82 WeakPolarHBondContact O-CG 3.38Å; N78-K82 PolarHBondContact O-N 3.27Å; K79-K82 PolarHBondContact O-N 3.2Å; R80-K82 PolarHBondContact O-N 3.42Å; K82-G84 VanDerWaalsContact C-N 3.34Å
83	A	79.8	Confident	74.5	Confident	66 Å²	66	84.5 Å²	84.5	55%	0.545	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	3.3	175.3	0	0	0	0	0	113.6	K79 R80 R81 L85	K79-A83 WeakPolarHBondContact O-CB 3.26Å; K79-A83 PolarHBondContact O-N 2.72Å; R80-A83 CarbonylContact O-C 3.58Å; R80-A83 PolarHBondContact O-N 3.24Å; R80-A83 VanDerWaalsContact O-N 3.12Å; R81-A83 PolarHBondContact O-N 2.92Å; A83-L85 PolarHBondContact O-N 3.27Å; A83-L85 VanDerWaalsContact O-N 3.08Å
84	G	68.5	Low	75	Confident	66 Å²	66	88.6 Å²	88.6	68%	0.68	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	0.8	-178.7	0	0	0	0	0	115.3	R80 R81 K82 T86	R80-G84 PolarHBondContact O-N 3.48Å; R81-G84 PolarHBondContact O-N 2.97Å; R81-G84 VanDerWaalsContact O-N 3.09Å; K82-G84 VanDerWaalsContact C-N 3.34Å; G84-T86 PolarHBondContact O-N 2.99Å
85	L	64.9	Low	75.5	Confident	136 Å²	136	84.9 Å²	84.9	71%	0.712	44%	0.443	S	S	*	.	S	Bend	trans	-71.1	-12	-172.6	-116.4	74.4	0	0	0	114.3	R80 A83	R80-L85 PolarHBondContact O-N 2.95Å; A83-L85 PolarHBondContact O-N 3.27Å; A83-L85 VanDerWaalsContact O-N 3.08Å
86	T	61.1	Low	75.7	Confident	62 Å²	62	77.6 Å²	77.6	38%	0.38	41%	0.413	S	S	.	.			trans	-165.1	124	-179	-3.7	0	0	0	0	109.4	G84 D88	G84-T86 PolarHBondContact O-N 2.99Å; T86-D88 WeakPolarHBondContact CG2-O 3.49Å
87	S	58.4	Low	75.8	Confident	92 Å²	92	74.9 Å²	74.9	64%	0.643	40%	0.4	S	S	*	.	S	Bend	trans	-67.2	-53.9	167.8	48	0	0	0	0	110.1
88	D	61.9	Low	76.3	Confident	114 Å²	114	77.8 Å²	77.8	61%	0.61	42%	0.422	S	S	*	.	S	Bend	trans	-106.4	130.8	-170.3	-57.7	-72.3	0	0	0	110.2	T86	T86-D88 WeakPolarHBondContact CG2-O 3.49Å
89	A	66.4	Low	76.4	Confident	10 Å²	10	75.9 Å²	75.9	8%	0.083	41%	0.413	C	S	.	.			trans	-73.3	140.8	169.4	0	0	0	0	0	108.8	L77 Q94	L77-A89 HydrophobicContact CD1-CB 3.69Å; L77-A89 HydrophobicContact CD2-CB 4.31Å; L77-A89 HydrophobicContact CG-CB 4.03Å; A89-Q94 HydrophobicContact CB-CG 3.79Å; A89-Q94 PolarHBondContact O-NE2 2.85Å
90	T	76.1	Confident	76.5	Confident	71 Å²	71	75 Å²	75	44%	0.436	42%	0.415	S	S	.	.			trans	-59.1	151.1	177.7	58.1	0	0	0	0	110.8	F92 E93 Q94	T90-F92 PolarHBondContact O-N 2.76Å; T90-F92 VanDerWaalsContact O-N 3.12Å; T90-E93 PolarHBondContact O-N 2.84Å; T90-E93 WeakPolarHBondContact OG1-CG 3.43Å; T90-E93 PolarHBondContact OG1-N 2.79Å; T90-Q94 WeakPolarHBondContact O-CG 3.42Å; T90-Q94 PolarHBondContact O-N 3Å
91	I	84	Confident	77.1	Confident	97 Å²	97	71.2 Å²	71.2	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-55.4	-35	-179.7	-55.4	175.6	0	0	0	110.2	P39 F95	P39-I91 HydrophobicContact CB-CG2 3.77Å; P39-I91 HydrophobicContact CG-CG2 4.36Å; I91-F95 VanDerWaalsContact O-CB 3.23Å; I91-F95 WeakPolarHBondContact O-CB 3.5Å; I91-F95 PolarHBondContact O-N 2.79Å
92	F	84.5	Confident	77.6	Confident	15 Å²	15	70.1 Å²	70.1	7%	0.066	40%	0.398	C	S	.	.	H	α-helix	trans	-64.8	-47.5	173.3	-173	-101.4	0	0	0	114	Q35 P39 W58 F66 T90 Q94 F95 V96	Q35-F92 HydrophobicContact CB-CE2 4.35Å; Q35-F92 VanDerWaalsContact O-CD2 3.23Å; Q35-F92 WeakPolarHBondContact O-CD2 3.26Å; P39-F92 HydrophobicContact CG-CB 4.29Å; P39-F92 HydrophobicContact CG-CD2 4.01Å; W58-F92 AromaticContact CH2-CE2 3.6Å; W58-F92 HydrophobicContact CH2-CE2 3.6Å; W58-F92 AromaticContact CH2-CZ 3.81Å; W58-F92 HydrophobicContact CH2-CZ 3.81Å; W58-F92 HydrophobicContact CZ2-CZ 4.41Å; W58-F92 AromaticContact CZ3-CE2 3.89Å; W58-F92 HydrophobicContact CZ3-CE2 3.89Å; W58-F92 HydrophobicContact CZ3-CZ 4.26Å; F66-F92 AromaticContact CD1-CE1 3.74Å; F66-F92 HydrophobicContact CD1-CE1 3.74Å; F66-F92 HydrophobicContact CD1-CZ 4.33Å; F66-F92 AromaticContact CE1-CE1 3.53Å; F66-F92 HydrophobicContact CE1-CE1 3.53Å; F66-F92 AromaticContact CE1-CZ 3.65Å; F66-F92 HydrophobicContact CE1-CZ 3.65Å; F66-F92 HydrophobicContact CE2-CE1 4.49Å; F66-F92 HydrophobicContact CG-CE1 4.31Å; F66-F92 AromaticContact CZ-CE1 3.94Å; F66-F92 HydrophobicContact CZ-CE1 3.94Å; F66-F92 AromaticContact CZ-CZ 3.76Å; F66-F92 HydrophobicContact CZ-CZ 3.76Å; T90-F92 PolarHBondContact O-N 2.76Å; T90-F92 VanDerWaalsContact O-N 3.12Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 2.79Å; F92-F95 HydrophobicContact CD2-CD1 4.46Å; F92-F95 WeakPolarHBondContact O-CB 3.35Å; F92-F95 PolarHBondContact O-N 2.7Å; F92-V96 HydrophobicContact CD1-CG2 4.29Å; F92-V96 HydrophobicContact CE1-CG2 3.81Å; F92-V96 HydrophobicContact CE2-CG2 4.11Å; F92-V96 HydrophobicContact CZ-CG2 3.71Å; F92-V96 WeakPolarHBondContact O-CG2 3.43Å; F92-V96 PolarHBondContact O-N 2.92Å
93	E	80.2	Confident	77.9	Confident	50 Å²	50	63.2 Å²	63.2	23%	0.234	37%	0.366	C	S	.	.	H	α-helix	trans	-64.9	-36.5	176.5	-76.3	-174.8	-175	0	0	112.3	L77 R80 T90 C97	L77-E93 HydrophobicContact CD1-CB 4.34Å; R80-E93 IonicContact CZ-OE1 3.71Å; R80-E93 IonicContact NH1-OE1 3.86Å; R80-E93 PolarHBondContact NH1-OE1 3.05Å; R80-E93 IonicContact NH1-OE2 2.66Å; R80-E93 PolarHBondContact NH1-OE2 3.36Å; T90-E93 PolarHBondContact O-N 2.84Å; T90-E93 WeakPolarHBondContact OG1-CG 3.43Å; T90-E93 PolarHBondContact OG1-N 2.79Å; E93-C97 VanDerWaalsContact O-CB 3.3Å; E93-C97 WeakPolarHBondContact O-CB 3.46Å; E93-C97 PolarHBondContact O-N 2.7Å; E93-C97 PolarHBondContact O-SG 3.29Å
94	Q	82	Confident	78.3	Confident	101 Å²	101	60.3 Å²	60.3	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-42.8	173.4	-64.5	-170.8	40.5	0	0	111.7	A89 T90 F92 C97 S98	A89-Q94 HydrophobicContact CB-CG 3.79Å; A89-Q94 PolarHBondContact O-NE2 2.85Å; T90-Q94 WeakPolarHBondContact O-CG 3.42Å; T90-Q94 PolarHBondContact O-N 3Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 2.79Å; Q94-C97 PolarHBondContact O-N 2.78Å; Q94-S98 VanDerWaalsContact O-CB 3.26Å; Q94-S98 WeakPolarHBondContact O-CB 3.29Å; Q94-S98 PolarHBondContact O-N 2.93Å; Q94-S98 PolarHBondContact O-OG 3.34Å
95	F	86.7	Confident	79.4	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.044	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-56.6	175	171	-107.7	0	0	0	111.3	V38 P39 H42 I56 I91 F92 C97 S98 T99 I101	V38-F95 HydrophobicContact CG1-CE1 4.06Å; V38-F95 HydrophobicContact CG1-CZ 4.16Å; P39-F95 HydrophobicContact CB-CB 3.93Å; P39-F95 HydrophobicContact CB-CD1 4.45Å; P39-F95 HydrophobicContact CB-CD2 4.18Å; P39-F95 HydrophobicContact CB-CG 3.96Å; P39-F95 HydrophobicContact CG-CB 3.79Å; P39-F95 HydrophobicContact CG-CD1 3.88Å; P39-F95 HydrophobicContact CG-CD2 4.48Å; P39-F95 HydrophobicContact CG-CG 3.83Å; H42-F95 HydrophobicContact CB-CE2 3.75Å; H42-F95 HydrophobicContact CB-CZ 4.23Å; H42-F95 AromaticContact CG-CE2 3.61Å; H42-F95 AromaticContact ND1-CE2 3.79Å; I56-F95 HydrophobicContact CD1-CE2 3.82Å; I56-F95 HydrophobicContact CD1-CZ 3.59Å; I91-F95 VanDerWaalsContact O-CB 3.23Å; I91-F95 WeakPolarHBondContact O-CB 3.5Å; I91-F95 PolarHBondContact O-N 2.79Å; F92-F95 HydrophobicContact CD2-CD1 4.46Å; F92-F95 WeakPolarHBondContact O-CB 3.35Å; F92-F95 PolarHBondContact O-N 2.7Å; F95-C97 PolarHBondContact O-N 2.92Å; F95-C97 VanDerWaalsContact O-N 3.11Å; F95-S98 WeakPolarHBondContact CA-OG 3.22Å; F95-S98 PolarHBondContact O-N 3.25Å; F95-S98 PolarHBondContact O-OG 3.08Å; F95-S98 VanDerWaalsContact O-OG 3.1Å; F95-T99 HydrophobicContact CD2-CG2 3.67Å; F95-T99 HydrophobicContact CE2-CG2 3.68Å; F95-T99 PolarHBondContact O-N 3.45Å; F95-T99 PolarHBondContact O-OG1 2.85Å; F95-I101 HydrophobicContact CD1-CD1 4.38Å; F95-I101 HydrophobicContact CE1-CD1 3.98Å
96	V	85.1	Confident	80.6	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-26.8	177.6	172.1	0	0	0	0	112.8	F66 N73 F92 I101 W103	F66-V96 HydrophobicContact CD2-CG1 4.22Å; F66-V96 HydrophobicContact CE2-CG1 4.25Å; F66-V96 HydrophobicContact CE2-CG2 4.34Å; N73-V96 WeakPolarHBondContact ND2-CG1 3.16Å; F92-V96 HydrophobicContact CD1-CG2 4.29Å; F92-V96 HydrophobicContact CE1-CG2 3.81Å; F92-V96 HydrophobicContact CE2-CG2 4.11Å; F92-V96 HydrophobicContact CZ-CG2 3.71Å; F92-V96 WeakPolarHBondContact O-CG2 3.43Å; F92-V96 PolarHBondContact O-N 2.92Å; V96-I101 HydrophobicContact CG2-CD1 4.22Å; V96-W103 HydrophobicContact CG1-CZ2 4.13Å; V96-W103 HydrophobicContact CG2-CH2 4.49Å
97	C	81.1	Confident	81.7	Confident	23 Å²	23	59.3 Å²	59.3	16%	0.155	31%	0.312	C	S	.	.	H	α-helix	trans	-88.6	-8.6	175.3	-67.3	0	0	0	0	114.8	R70 E93 Q94 F95	R70-C97 VanDerWaalsContact CZ-O 3.23Å; R70-C97 PolarHBondContact NE-O 2.72Å; R70-C97 PolarHBondContact NH2-O 2.98Å; E93-C97 VanDerWaalsContact O-CB 3.3Å; E93-C97 WeakPolarHBondContact O-CB 3.46Å; E93-C97 PolarHBondContact O-N 2.7Å; E93-C97 PolarHBondContact O-SG 3.29Å; Q94-C97 PolarHBondContact O-N 2.78Å; F95-C97 PolarHBondContact O-N 2.92Å; F95-C97 VanDerWaalsContact O-N 3.11Å
98	S	83.7	Confident	82.9	Confident	75 Å²	75	58 Å²	58	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-115.4	-43	-174	56.1	0	0	0	0	114.1	R70 Q94 F95	R70-S98 PolarHBondContact NH2-O 2.92Å; Q94-S98 VanDerWaalsContact O-CB 3.26Å; Q94-S98 WeakPolarHBondContact O-CB 3.29Å; Q94-S98 PolarHBondContact O-N 2.93Å; Q94-S98 PolarHBondContact O-OG 3.34Å; F95-S98 WeakPolarHBondContact CA-OG 3.22Å; F95-S98 PolarHBondContact O-N 3.25Å; F95-S98 PolarHBondContact O-OG 3.08Å; F95-S98 VanDerWaalsContact O-OG 3.1Å
99	T	83.7	Confident	84	Confident	28 Å²	28	52.7 Å²	52.7	17%	0.172	27%	0.268	C	S	.	.	S	Bend	trans	-79.1	166.2	178	56.9	0	0	0	0	112.2	I56 F95	I56-T99 HydrophobicContact CD1-CG2 4.11Å; F95-T99 HydrophobicContact CD2-CG2 3.67Å; F95-T99 HydrophobicContact CE2-CG2 3.68Å; F95-T99 PolarHBondContact O-N 3.45Å; F95-T99 PolarHBondContact O-OG1 2.85Å
100	D	83.3	Confident	84.5	Confident	139 Å²	139	56.5 Å²	56.5	74%	0.743	28%	0.283	S	S	*	.			trans	-101.9	112.4	172.1	-161.5	12.5	0	0	0	108.6
101	I	88.6	Confident	84.5	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.2	-173.2	-58	176.2	0	0	0	108.3	I56 W58 F95 V96 W103	I56-I101 HydrophobicContact CB-CG1 4.24Å; I56-I101 HydrophobicContact CD1-CG1 4.07Å; I56-I101 HydrophobicContact CG2-CG1 4.3Å; I56-I101 HydrophobicContact CG2-CG2 4.18Å; W58-I101 HydrophobicContact CB-CG2 3.75Å; F95-I101 HydrophobicContact CD1-CD1 4.38Å; F95-I101 HydrophobicContact CE1-CD1 3.98Å; V96-I101 HydrophobicContact CG2-CD1 4.22Å; I101-W103 HydrophobicContact CB-CH2 4.39Å; I101-W103 HydrophobicContact CB-CZ2 3.85Å; I101-W103 HydrophobicContact CD1-CH2 4.01Å; I101-W103 HydrophobicContact CD1-CZ2 3.89Å; I101-W103 HydrophobicContact CG1-CZ2 4.45Å; I101-W103 HydrophobicContact CG2-CD2 4.04Å; I101-W103 HydrophobicContact CG2-CE3 4.17Å; I101-W103 HydrophobicContact CG2-CH2 3.8Å; I101-W103 HydrophobicContact CG2-CZ2 3.68Å; I101-W103 HydrophobicContact CG2-CZ3 4.07Å; I101-W103 PolarHBondContact O-N 2.87Å; I101-W103 VanDerWaalsContact O-N 3.15Å
102	R	88.1	Confident	84.3	Confident	99 Å²	99	51.8 Å²	51.8	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	99.8	168.9	-170.7	74.2	-174	-159	1.4	108.7	I56 L57 W58 F117	I56-R102 PolarHBondContact O-N 3.49Å; L57-R102 HydrophobicContact CD1-CB 4.37Å; L57-R102 HydrophobicContact CD1-CG 4.34Å; W58-R102 PolarHBondContact N-O 3.11Å; R102-F117 HydrophobicContact CB-CE1 3.7Å; R102-F117 HydrophobicContact CB-CZ 4.03Å; R102-F117 HydrophobicContact CG-CE1 4.18Å; R102-F117 HydrophobicContact CG-CZ 3.99Å
103	W	88.4	Confident	83.8	Confident	50 Å²	50	52.7 Å²	52.7	19%	0.189	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.5	167.4	-55.1	105.6	0	0	0	109.7	W58 Y60 L64 F66 T68 V96 I101	W58-W103 HydrophobicContact CB-CE3 3.79Å; W58-W103 HydrophobicContact CB-CZ3 3.67Å; W58-W103 AromaticContact CD1-CZ3 3.67Å; W58-W103 HydrophobicContact CD2-CH2 4.36Å; W58-W103 AromaticContact CD2-CZ3 3.79Å; W58-W103 HydrophobicContact CD2-CZ3 3.79Å; W58-W103 HydrophobicContact CE3-CZ3 4.39Å; W58-W103 AromaticContact CG-CE3 3.92Å; W58-W103 HydrophobicContact CG-CE3 3.92Å; W58-W103 HydrophobicContact CG-CH2 4.35Å; W58-W103 AromaticContact CG-CZ3 3.43Å; W58-W103 HydrophobicContact CG-CZ3 3.43Å; W58-W103 VanDerWaalsContact CG-CZ3 3.43Å; Y60-W103 HydrophobicContact CE1-CB 4.08Å; Y60-W103 HydrophobicContact CE1-CE3 4.21Å; L64-W103 HydrophobicContact CD1-CD2 4.43Å; L64-W103 HydrophobicContact CD1-CE3 3.59Å; L64-W103 HydrophobicContact CD1-CZ3 3.63Å; F66-W103 AromaticContact CE2-CH2 3.43Å; F66-W103 HydrophobicContact CE2-CH2 3.43Å; F66-W103 VanDerWaalsContact CE2-CH2 3.43Å; F66-W103 HydrophobicContact CE2-CZ2 4.04Å; F66-W103 AromaticContact CE2-CZ3 3.85Å; F66-W103 HydrophobicContact CE2-CZ3 3.85Å; F66-W103 AromaticContact CZ-CH2 3.78Å; F66-W103 HydrophobicContact CZ-CH2 3.78Å; F66-W103 AromaticContact CZ-CZ3 3.91Å; F66-W103 HydrophobicContact CZ-CZ3 3.91Å; T68-W103 HydrophobicContact CG2-CB 4.15Å; T68-W103 HydrophobicContact CG2-CD2 3.94Å; T68-W103 HydrophobicContact CG2-CE3 4.39Å; T68-W103 HydrophobicContact CG2-CG 3.77Å; T68-W103 PolarHBondContact O-NE1 3.21Å; V96-W103 HydrophobicContact CG1-CZ2 4.13Å; V96-W103 HydrophobicContact CG2-CH2 4.49Å; I101-W103 HydrophobicContact CB-CH2 4.39Å; I101-W103 HydrophobicContact CB-CZ2 3.85Å; I101-W103 HydrophobicContact CD1-CH2 4.01Å; I101-W103 HydrophobicContact CD1-CZ2 3.89Å; I101-W103 HydrophobicContact CG1-CZ2 4.45Å; I101-W103 HydrophobicContact CG2-CD2 4.04Å; I101-W103 HydrophobicContact CG2-CE3 4.17Å; I101-W103 HydrophobicContact CG2-CH2 3.8Å; I101-W103 HydrophobicContact CG2-CZ2 3.68Å; I101-W103 HydrophobicContact CG2-CZ3 4.07Å; I101-W103 PolarHBondContact O-N 2.87Å; I101-W103 VanDerWaalsContact O-N 3.15Å
104	C	88.2	Confident	83.3	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.027	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	127.1	176.3	-168.5	0	0	0	0	109.8	L57 W58 C59 Y60 I112	L57-C104 HydrophobicContact CD1-CB 3.87Å; W58-C104 PolarHBondContact O-N 3Å; C59-C104 WeakPolarHBondContact CA-O 3.38Å; Y60-C104 VanDerWaalsContact CD1-O 3.29Å; Y60-C104 WeakPolarHBondContact CD1-O 3.45Å; Y60-C104 WeakPolarHBondContact CE1-O 3.33Å; Y60-C104 PolarHBondContact N-O 3.17Å; C104-I112 HydrophobicContact CB-CG2 4.28Å
105	Y	90.5	Very high	83.2	Confident	98 Å²	98	50.7 Å²	50.7	38%	0.384	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.4	163.4	-65.5	-84.9	0	0	0	109.4	Y60 D107 E108 S109	Y60-Y105 HydrophobicContact CD2-CD1 4.3Å; Y60-Y105 HydrophobicContact CD2-CE1 4.24Å; Y60-Y105 AromaticContact CE2-CD1 3.79Å; Y60-Y105 HydrophobicContact CE2-CD1 3.79Å; Y60-Y105 AromaticContact CE2-CE1 3.43Å; Y60-Y105 HydrophobicContact CE2-CE1 3.43Å; Y60-Y105 VanDerWaalsContact CE2-CE1 3.43Å; Y60-Y105 AromaticContact CE2-CZ 3.92Å; Y60-Y105 AromaticContact CZ-CE1 3.86Å; Y60-Y105 AromaticContact CZ-CZ 3.96Å; Y60-Y105 WeakPolarHBondContact O-CA 3.4Å; Y105-D107 VanDerWaalsContact C-N 3.3Å; Y105-D107 PolarHBondContact O-N 3.37Å; Y105-E108 WeakPolarHBondContact O-CA 3.48Å; Y105-E108 WeakPolarHBondContact O-CB 3.4Å; Y105-E108 PolarHBondContact O-N 2.95Å; Y105-S109 PolarHBondContact O-N 3.01Å
106	Y	89.7	Confident	83.3	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	28%	0.28	C	S	.	.	S	Bend	trans	-58.4	-38.8	179.1	-72.8	-56.4	0	0	0	113.4	C59 Y60 K61 E108 S109 L122 Q123 D124 A127 L128 L132	C59-Y106 HydrophobicContact CB-CD1 3.84Å; C59-Y106 HydrophobicContact CB-CE1 3.45Å; C59-Y106 VanDerWaalsContact CB-CE1 3.45Å; Y60-Y106 VanDerWaalsContact C-CE2 3.49Å; Y60-Y106 VanDerWaalsContact O-CD2 3.32Å; Y60-Y106 WeakPolarHBondContact O-CD2 3.32Å; Y60-Y106 PolarHBondContact O-N 3.22Å; Y60-Y106 VanDerWaalsContact O-N 3.12Å; K61-Y106 HydrophobicContact CB-CD2 3.91Å; K61-Y106 HydrophobicContact CB-CE2 4.09Å; Y106-E108 VanDerWaalsContact C-N 3.26Å; Y106-E108 PolarHBondContact O-N 3.27Å; Y106-S109 WeakPolarHBondContact O-CB 3.16Å; Y106-S109 PolarHBondContact O-N 3.11Å; Y106-S109 VanDerWaalsContact O-N 3.11Å; Y106-S109 PolarHBondContact O-OG 3.3Å; Y106-L122 HydrophobicContact CE1-CD2 4.4Å; Y106-Q123 PolarHBondContact OH-N 3.18Å; Y106-D124 HydrophobicContact CE2-CB 4.22Å; Y106-D124 PolarHBondContact OH-N 3.08Å; Y106-D124 PolarHBondContact OH-O 2.93Å; Y106-D124 VanDerWaalsContact OH-O 3.13Å; Y106-A127 HydrophobicContact CD2-CB 3.64Å; Y106-A127 HydrophobicContact CE2-CB 3.65Å; Y106-L128 HydrophobicContact CD1-CD2 4.22Å; Y106-L128 HydrophobicContact CE1-CD2 3.42Å; Y106-L128 VanDerWaalsContact CE1-CD2 3.42Å; Y106-L128 WeakPolarHBondContact OH-CD2 3.34Å; Y106-L132 HydrophobicContact CD1-CD1 4.21Å; Y106-L132 HydrophobicContact CG-CD1 4.18Å; Y106-L132 WeakPolarHBondContact O-CD2 3.48Å
107	D	85.3	Confident	83.5	Confident	137 Å²	137	54 Å²	54	73%	0.733	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64.2	-31.9	175.8	-62.6	-54.5	0	0	0	112.4	Y105 S109 H110	Y105-D107 VanDerWaalsContact C-N 3.3Å; Y105-D107 PolarHBondContact O-N 3.37Å; D107-S109 PolarHBondContact O-N 2.96Å; D107-H110 PolarHBondContact O-CE1 3.01Å; D107-H110 VanDerWaalsContact O-CE1 3.3Å; D107-H110 PolarHBondContact O-ND1 3.39Å
108	E	84.4	Confident	84.1	Confident	64 Å²	64	54 Å²	54	30%	0.299	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-77.5	2.6	175.4	-65.6	-163.1	125.9	0	0	114.4	Y105 Y106 H110 K111	Y105-E108 WeakPolarHBondContact O-CA 3.48Å; Y105-E108 WeakPolarHBondContact O-CB 3.4Å; Y105-E108 PolarHBondContact O-N 2.95Å; Y106-E108 VanDerWaalsContact C-N 3.26Å; Y106-E108 PolarHBondContact O-N 3.27Å; E108-H110 PolarHBondContact O-N 3.23Å; E108-K111 HydrophobicContact CB-CD 4.26Å; E108-K111 HydrophobicContact CG-CD 4.34Å; E108-K111 WeakPolarHBondContact O-CB 3.47Å; E108-K111 PolarHBondContact O-N 3.07Å; E108-K111 WeakPolarHBondContact OE1-CE 3.45Å; E108-K111 IonicContact OE1-NZ 3.8Å; E108-K111 PolarHBondContact OE1-NZ 3.39Å
109	S	83.1	Confident	84.5	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.021	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54	-9.8	177.1	58	0	0	0	0	115.9	Y105 Y106 D107 I112 L132 R135	Y105-S109 PolarHBondContact O-N 3.01Å; Y106-S109 WeakPolarHBondContact O-CB 3.16Å; Y106-S109 PolarHBondContact O-N 3.11Å; Y106-S109 VanDerWaalsContact O-N 3.11Å; Y106-S109 PolarHBondContact O-OG 3.3Å; D107-S109 PolarHBondContact O-N 2.96Å; S109-I112 VanDerWaalsContact O-CG1 3.23Å; S109-I112 WeakPolarHBondContact O-CG1 3.4Å; S109-L132 WeakPolarHBondContact OG-CD2 3.33Å; S109-R135 PolarHBondContact OG-NH1 3.3Å
110	H	77.5	Confident	85.1	Confident	90 Å²	90	49.1 Å²	49.1	42%	0.417	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-79.4	-27.6	171.5	59.7	-88	0	0	0	113.2	D107 E108 I112 L113	D107-H110 PolarHBondContact O-CE1 3.01Å; D107-H110 VanDerWaalsContact O-CE1 3.3Å; D107-H110 PolarHBondContact O-ND1 3.39Å; E108-H110 PolarHBondContact O-N 3.23Å; H110-I112 VanDerWaalsContact C-N 3.35Å; H110-L113 WeakPolarHBondContact O-CB 3.44Å; H110-L113 VanDerWaalsContact O-CG 3.26Å; H110-L113 WeakPolarHBondContact O-CG 3.39Å; H110-L113 PolarHBondContact O-N 3.4Å
111	K	76.4	Confident	85.6	Confident	68 Å²	68	42.5 Å²	42.5	30%	0.296	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.9	-177.9	-55.5	-175.5	-179.3	177.2	0	113.7	E108 L113 Q115	E108-K111 HydrophobicContact CB-CD 4.26Å; E108-K111 HydrophobicContact CG-CD 4.34Å; E108-K111 WeakPolarHBondContact O-CB 3.47Å; E108-K111 PolarHBondContact O-N 3.07Å; E108-K111 WeakPolarHBondContact OE1-CE 3.45Å; E108-K111 IonicContact OE1-NZ 3.8Å; E108-K111 PolarHBondContact OE1-NZ 3.39Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-Q115 PolarHBondContact O-NE2 3.41Å
112	I	79.4	Confident	85.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.8	176.6	57.9	166.8	0	0	0	113.1	L57 C104 S109 H110 Q115 F117 T136	L57-I112 HydrophobicContact CD1-CD1 4.22Å; L57-I112 HydrophobicContact CD1-CG2 4.01Å; L57-I112 HydrophobicContact CD2-CD1 3.67Å; C104-I112 HydrophobicContact CB-CG2 4.28Å; S109-I112 VanDerWaalsContact O-CG1 3.23Å; S109-I112 WeakPolarHBondContact O-CG1 3.4Å; H110-I112 VanDerWaalsContact C-N 3.35Å; I112-Q115 WeakPolarHBondContact O-CB 3.3Å; I112-Q115 PolarHBondContact O-N 2.77Å; I112-F117 HydrophobicContact CB-CE2 4.32Å; I112-T136 HydrophobicContact CD1-CG2 4.32Å
113	L	73.6	Confident	85.9	Confident	34 Å²	34	38.2 Å²	38.2	18%	0.178	19%	0.194	C	C	.	.	S	Bend	trans	-71.7	154.6	178.6	-58.4	-178.6	0	0	0	111.2	H110 K111 Q115 R135 Y458	H110-L113 WeakPolarHBondContact O-CB 3.44Å; H110-L113 VanDerWaalsContact O-CG 3.26Å; H110-L113 WeakPolarHBondContact O-CG 3.39Å; H110-L113 PolarHBondContact O-N 3.4Å; K111-L113 VanDerWaalsContact C-N 3.34Å; L113-Q115 PolarHBondContact O-N 2.97Å; L113-R135 HydrophobicContact CD2-CB 4.38Å; L113-R135 HydrophobicContact CD2-CG 4.24Å; L113-Y458 WeakPolarHBondContact CD1-OH 3.17Å; L113-Y458 WeakPolarHBondContact CD2-OH 3.19Å
114	G	71.1	Confident	85.9	Confident	39 Å²	39	36.6 Å²	36.6	40%	0.402	19%	0.189	S	C	.	.	S	Bend	trans	73.6	-36.6	-166.3	0	0	0	0	0	114.3	R529	G114-R529 PolarHBondContact O-NH2 3.26Å
115	Q	80.3	Confident	85.8	Confident	70 Å²	70	37.4 Å²	37.4	33%	0.327	19%	0.192	S	C	.	.			trans	-68.8	164.4	-179.1	-53.9	179.2	40.2	0	0	112.9	K111 I112 L113 F117 R529	K111-Q115 PolarHBondContact O-NE2 3.41Å; I112-Q115 WeakPolarHBondContact O-CB 3.3Å; I112-Q115 PolarHBondContact O-N 2.77Å; L113-Q115 PolarHBondContact O-N 2.97Å; Q115-F117 HydrophobicContact CB-CE2 3.97Å; Q115-F117 HydrophobicContact CB-CZ 4.14Å; Q115-R529 PolarHBondContact O-NH2 3Å
116	T	86.8	Confident	85.7	Confident	77 Å²	77	36 Å²	36	47%	0.472	19%	0.189	S	C	.	.			trans	-132.4	137.6	-179.7	46.3	0	0	0	0	110.8	T139 R529	T116-T139 WeakPolarHBondContact CA-O 3.32Å; T116-R529 HydrophobicContact CG2-CG 4.21Å
117	F	91	Very high	85.6	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.1	176.8	-59.2	-80.4	0	0	0	111.5	S55 L57 R102 I112 Q115 T139 V140 S141	S55-F117 WeakPolarHBondContact OG-CA 3.46Å; L57-F117 HydrophobicContact CB-CB 4.07Å; L57-F117 HydrophobicContact CB-CD1 3.94Å; L57-F117 HydrophobicContact CB-CD2 3.77Å; L57-F117 HydrophobicContact CB-CE1 4.36Å; L57-F117 HydrophobicContact CB-CE2 4.21Å; L57-F117 HydrophobicContact CB-CG 3.64Å; L57-F117 HydrophobicContact CB-CZ 4.49Å; L57-F117 HydrophobicContact CD1-CE2 4.27Å; L57-F117 HydrophobicContact CD1-CZ 4.43Å; L57-F117 HydrophobicContact CD2-CD2 3.87Å; L57-F117 HydrophobicContact CD2-CE2 4.13Å; L57-F117 HydrophobicContact CG-CD2 4.29Å; L57-F117 HydrophobicContact CG-CE2 4.44Å; R102-F117 HydrophobicContact CB-CE1 3.7Å; R102-F117 HydrophobicContact CB-CZ 4.03Å; R102-F117 HydrophobicContact CG-CE1 4.18Å; R102-F117 HydrophobicContact CG-CZ 3.99Å; I112-F117 HydrophobicContact CB-CE2 4.32Å; Q115-F117 HydrophobicContact CB-CE2 3.97Å; Q115-F117 HydrophobicContact CB-CZ 4.14Å; F117-T139 PolarHBondContact N-O 3.33Å; F117-V140 CarbonylContact O-C 3.6Å; F117-V140 VanDerWaalsContact O-CA 3.29Å; F117-V140 WeakPolarHBondContact O-CA 3.47Å; F117-S141 PolarHBondContact O-N 3.31Å
118	D	92.4	Very high	85.8	Confident	24 Å²	24	29.9 Å²	29.9	13%	0.128	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-25.5	177	-58.8	-70.3	0	0	0	112.3	K51 L54 S55 S141 G144 L145	K51-D118 IonicContact NZ-OD1 2.75Å; K51-D118 PolarHBondContact NZ-OD1 2.68Å; L54-D118 HydrophobicContact CB-CB 4.2Å; L54-D118 HydrophobicContact CD2-CB 4.23Å; S55-D118 PolarHBondContact N-OD2 3.17Å; S55-D118 PolarHBondContact O-N 3.04Å; S55-D118 PolarHBondContact OG-N 3.35Å; S55-D118 PolarHBondContact OG-OD2 3.12Å; D118-S141 PolarHBondContact OD1-OG 3.36Å; D118-G144 CarbonylContact O-C 3.6Å; D118-G144 WeakPolarHBondContact O-CA 3.4Å; D118-L145 PolarHBondContact O-N 3.01Å
119	M	93.8	Very high	86	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.5	177.1	-168.1	173.4	-175.7	0	0	110.7	V38 M41 H42 S55 I56 L57 L145 V147	V38-M119 HydrophobicContact CG1-CE 3.76Å; M41-M119 HydrophobicContact CB-CE 3.85Å; H42-M119 HydrophobicContact CB-SD 3.93Å; S55-M119 PolarHBondContact O-N 3.34Å; I56-M119 WeakPolarHBondContact CA-O 3.15Å; I56-M119 HydrophobicContact CG1-CB 4.29Å; L57-M119 PolarHBondContact N-O 3.06Å; M119-L145 WeakPolarHBondContact CA-O 3.38Å; M119-L145 HydrophobicContact CE-CD2 4.29Å; M119-V147 HydrophobicContact CE-CG2 3.68Å
120	C	95	Very high	86.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125	177.6	177.5	0	0	0	0	110.4	L57 V140 L145 V147	L57-C120 WeakPolarHBondContact O-CA 3.49Å; C120-V140 HydrophobicContact CB-CG2 3.5Å; C120-L145 PolarHBondContact N-O 3.16Å; C120-V147 PolarHBondContact O-N 2.97Å
121	V	94.7	Very high	86.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125	177.8	-174.7	0	0	0	0	109.8	V38 L57 W58 C59 V147 L149	V38-V121 HydrophobicContact CG1-CG2 3.91Å; V38-V121 HydrophobicContact CG2-CG1 4.49Å; L57-V121 PolarHBondContact O-N 3.41Å; W58-V121 HydrophobicContact CD2-CB 3.97Å; W58-V121 HydrophobicContact CD2-CG1 3.95Å; W58-V121 HydrophobicContact CD2-CG2 4.5Å; W58-V121 HydrophobicContact CE3-CB 3.9Å; W58-V121 HydrophobicContact CE3-CG1 3.97Å; W58-V121 HydrophobicContact CE3-CG2 3.92Å; W58-V121 HydrophobicContact CG-CB 4.34Å; W58-V121 HydrophobicContact CH2-CG1 4.09Å; W58-V121 HydrophobicContact CZ2-CG1 4.07Å; W58-V121 HydrophobicContact CZ3-CB 4.37Å; W58-V121 HydrophobicContact CZ3-CG1 4.05Å; W58-V121 HydrophobicContact CZ3-CG2 4.18Å; C59-V121 PolarHBondContact N-O 3.07Å; V121-V147 HydrophobicContact CG2-CB 4.35Å; V121-L149 HydrophobicContact CG1-CD1 3.75Å; V121-L149 HydrophobicContact CG1-CG 4.04Å
122	L	93.8	Very high	87.6	Confident	2 Å²	2	22 Å²	22	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.9	175.7	-55	-179.3	0	0	0	107.9	C59 Y106 L128 L133 T136 V147 F148 L149	C59-L122 HydrophobicContact CB-CD2 3.87Å; Y106-L122 HydrophobicContact CE1-CD2 4.4Å; L122-L128 HydrophobicContact CB-CD1 4.29Å; L122-L128 HydrophobicContact CB-CD2 4.42Å; L122-L128 HydrophobicContact CD1-CD1 4.35Å; L122-L128 HydrophobicContact CD1-CD2 4.37Å; L122-L133 HydrophobicContact CD1-CD2 4.12Å; L122-T136 HydrophobicContact CD2-CG2 3.93Å; L122-V147 PolarHBondContact N-O 3.29Å; L122-F148 HydrophobicContact CB-CD1 4.41Å; L122-F148 HydrophobicContact CD1-CD1 4.08Å; L122-F148 HydrophobicContact CD1-CE1 3.65Å; L122-F148 HydrophobicContact CD1-CE2 4.4Å; L122-F148 HydrophobicContact CD1-CZ 3.83Å; L122-L149 PolarHBondContact O-N 3.39Å
123	Q	89.4	Confident	88.2	Confident	20 Å²	20	22.3 Å²	22.3	9%	0.093	13%	0.126	C	C	.	.			trans	-87.9	-47.7	-167.2	-172.7	-171.9	-80.4	0	0	114.4	W58 C59 Y106 L149	W58-Q123 VanDerWaalsContact NE1-OE1 3.17Å; C59-Q123 PolarHBondContact O-N 2.96Å; C59-Q123 VanDerWaalsContact O-N 3.13Å; Y106-Q123 PolarHBondContact OH-N 3.18Å; Q123-L149 HydrophobicContact CG-CD1 4.3Å; Q123-L149 VanDerWaalsContact O-O 3.1Å
124	D	87.3	Confident	89	Confident	17 Å²	17	20.7 Å²	20.7	9%	0.091	12%	0.118	C	C	.	.			trans	-110.8	102.2	-170.4	-44.2	-60.7	0	0	0	109.3	K61 Y106 E126 A127	K61-D124 HydrophobicContact CB-CB 4.29Å; K61-D124 PolarHBondContact N-OD2 2.94Å; Y106-D124 HydrophobicContact CE2-CB 4.22Å; Y106-D124 PolarHBondContact OH-N 3.08Å; Y106-D124 PolarHBondContact OH-O 2.93Å; Y106-D124 VanDerWaalsContact OH-O 3.13Å; D124-E126 PolarHBondContact O-N 3.39Å; D124-A127 PolarHBondContact O-N 2.89Å
125	F	87.3	Confident	89.7	Confident	20 Å²	20	20.7 Å²	20.7	9%	0.088	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-64.8	-38.2	-174.7	-174.3	-95.2	0	0	0	113.2	A127 L128 F148 L150 L159 M162 M164 F186	F125-A127 PolarHBondContact O-N 3.25Å; F125-L128 HydrophobicContact CD2-CD1 3.79Å; F125-L128 HydrophobicContact CE2-CD1 4.41Å; F125-L128 HydrophobicContact CG-CD1 4.44Å; F125-L128 WeakPolarHBondContact O-CB 3.36Å; F125-L128 PolarHBondContact O-N 3.41Å; F125-F148 HydrophobicContact CD2-CD1 4.4Å; F125-L150 HydrophobicContact CB-CD2 3.53Å; F125-L150 HydrophobicContact CD1-CD2 4.48Å; F125-L150 HydrophobicContact CD2-CD2 3.86Å; F125-L150 HydrophobicContact CG-CD2 3.71Å; F125-L159 HydrophobicContact CD1-CD2 4.49Å; F125-M162 HydrophobicContact CD1-SD 3.95Å; F125-M164 HydrophobicContact CD1-CE 4.28Å; F125-M164 HydrophobicContact CD1-SD 4.09Å; F125-M164 HydrophobicContact CE1-CE 4.14Å; F125-M164 HydrophobicContact CE1-SD 3.98Å; F125-M164 WeakPolarHBondContact O-CE 3.5Å; F125-F186 HydrophobicContact CE2-CD1 4.1Å; F125-F186 AromaticContact CE2-CE1 3.53Å; F125-F186 HydrophobicContact CE2-CE1 3.53Å; F125-F186 HydrophobicContact CE2-CZ 4.13Å; F125-F186 AromaticContact CZ-CD1 3.88Å; F125-F186 HydrophobicContact CZ-CD1 3.88Å; F125-F186 AromaticContact CZ-CE1 3.8Å; F125-F186 HydrophobicContact CZ-CE1 3.8Å
126	E	87.5	Confident	90.2	Very high	70 Å²	70	17.4 Å²	17.4	33%	0.327	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-49.9	-29.6	177.3	-63.7	156.1	-158.1	0	0	113.8	D124 M162 M164 D165	D124-E126 PolarHBondContact O-N 3.39Å; E126-M162 HydrophobicContact CG-CE 3.75Å; E126-M162 HydrophobicContact CG-CG 4.25Å; E126-M162 HydrophobicContact CG-SD 3.77Å; E126-M164 WeakPolarHBondContact O-CA 3.27Å; E126-D165 PolarHBondContact O-N 3.35Å
127	A	87.6	Confident	90.5	Very high	10 Å²	10	13.8 Å²	13.8	8%	0.083	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-91.8	-10.9	-178.3	0	0	0	0	0	114	K61 Y106 D124 F125 T129 L132 D165	K61-A127 HydrophobicContact CB-CB 4.01Å; K61-A127 HydrophobicContact CD-CB 4.09Å; K61-A127 HydrophobicContact CG-CB 4.13Å; Y106-A127 HydrophobicContact CD2-CB 3.64Å; Y106-A127 HydrophobicContact CE2-CB 3.65Å; D124-A127 PolarHBondContact O-N 2.89Å; F125-A127 PolarHBondContact O-N 3.25Å; A127-T129 PolarHBondContact O-N 3.2Å; A127-L132 WeakPolarHBondContact O-CD1 3.46Å; A127-D165 WeakPolarHBondContact CA-OD2 3.32Å; A127-D165 WeakPolarHBondContact CB-OD2 3.33Å
128	L	89.5	Confident	90.3	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.067	C	C	.	.			trans	-73.5	126.3	-174.2	-65.4	175.7	0	0	0	110.7	Y106 L122 F125 L133 F148 M164	Y106-L128 HydrophobicContact CD1-CD2 4.22Å; Y106-L128 HydrophobicContact CE1-CD2 3.42Å; Y106-L128 VanDerWaalsContact CE1-CD2 3.42Å; Y106-L128 WeakPolarHBondContact OH-CD2 3.34Å; L122-L128 HydrophobicContact CB-CD1 4.29Å; L122-L128 HydrophobicContact CB-CD2 4.42Å; L122-L128 HydrophobicContact CD1-CD1 4.35Å; L122-L128 HydrophobicContact CD1-CD2 4.37Å; F125-L128 HydrophobicContact CD2-CD1 3.79Å; F125-L128 HydrophobicContact CE2-CD1 4.41Å; F125-L128 HydrophobicContact CG-CD1 4.44Å; F125-L128 WeakPolarHBondContact O-CB 3.36Å; F125-L128 PolarHBondContact O-N 3.41Å; L128-L133 HydrophobicContact CB-CD2 4.15Å; L128-L133 HydrophobicContact CB-CG 4.43Å; L128-L133 HydrophobicContact CD1-CD2 3.95Å; L128-L133 HydrophobicContact CD2-CD2 4.25Å; L128-L133 HydrophobicContact CG-CD2 4.35Å; L128-F148 HydrophobicContact CD1-CD1 3.95Å; L128-F148 HydrophobicContact CD1-CE1 3.87Å; L128-M164 WeakPolarHBondContact O-CE 3.42Å
129	T	89.5	Confident	90.1	Very high	16 Å²	16	12.5 Å²	12.5	10%	0.098	6%	0.062	C	C	.	.			trans	-114.6	152.5	172.8	74.3	0	0	0	0	109.5	A127 N131 L132 L133 V166 N609	A127-T129 PolarHBondContact O-N 3.2Å; T129-N131 PolarHBondContact O-N 3.12Å; T129-N131 VanDerWaalsContact O-N 3.09Å; T129-L132 HydrophobicContact CG2-CD1 4.19Å; T129-L132 WeakPolarHBondContact O-CA 3.28Å; T129-L132 WeakPolarHBondContact O-CB 3.33Å; T129-L132 PolarHBondContact O-N 2.98Å; T129-L132 WeakPolarHBondContact OG1-CG 3.46Å; T129-L133 PolarHBondContact O-N 2.93Å; T129-V166 HydrophobicContact CG2-CG2 3.42Å; T129-V166 VanDerWaalsContact CG2-CG2 3.42Å; T129-N609 WeakPolarHBondContact CB-ND2 3.11Å; T129-N609 WeakPolarHBondContact CB-OD1 3.43Å; T129-N609 PolarHBondContact OG1-ND2 3.35Å; T129-N609 VanDerWaalsContact OG1-ND2 3.12Å; T129-N609 PolarHBondContact OG1-OD1 3.42Å
130	P	90.7	Very high	90.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-47.2	-39.1	178.7	-34	37.7	0	0	0	115.4	A134 F182 L544 P608 N609 Q612	P130-A134 WeakPolarHBondContact O-CB 3.48Å; P130-A134 PolarHBondContact O-N 3.49Å; P130-F182 HydrophobicContact CB-CZ 4.47Å; P130-F182 HydrophobicContact CG-CE1 4.05Å; P130-F182 HydrophobicContact CG-CE2 4.03Å; P130-F182 HydrophobicContact CG-CZ 3.71Å; P130-L544 HydrophobicContact CB-CD2 3.81Å; P130-P608 VanDerWaalsContact CB-C 3.49Å; P130-P608 HydrophobicContact CB-CB 3.53Å; P130-P608 VanDerWaalsContact CB-O 3.3Å; P130-P608 WeakPolarHBondContact CB-O 3.48Å; P130-N609 WeakPolarHBondContact CD-OD1 3.32Å; P130-Q612 HydrophobicContact CG-CB 4Å
131	N	88.8	Confident	89.9	Confident	28 Å²	28	13.1 Å²	13.1	15%	0.15	7%	0.066	C	C	.	.	H	α-helix	trans	-67.5	-40.3	175.6	179.9	25.3	0	0	0	112.1	T129 R135 Y458 N609	T129-N131 PolarHBondContact O-N 3.12Å; T129-N131 VanDerWaalsContact O-N 3.09Å; N131-R135 WeakPolarHBondContact O-CB 3.47Å; N131-R135 WeakPolarHBondContact O-CD 3.4Å; N131-R135 WeakPolarHBondContact O-CG 3.43Å; N131-R135 PolarHBondContact O-N 2.93Å; N131-R135 PolarHBondContact OD1-NE 3.38Å; N131-Y458 WeakPolarHBondContact OD1-CD2 3.45Å; N131-N609 WeakPolarHBondContact CB-OD1 3.48Å; N131-N609 PolarHBondContact N-OD1 2.98Å
132	L	91.1	Very high	89.6	Confident	16 Å²	16	13.6 Å²	13.6	8%	0.084	7%	0.071	C	C	.	.	H	α-helix	trans	-65.1	-44.7	173.8	-65.5	173.6	0	0	0	111.5	Y106 S109 A127 T129 A134 R135 T136	Y106-L132 HydrophobicContact CD1-CD1 4.21Å; Y106-L132 HydrophobicContact CG-CD1 4.18Å; Y106-L132 WeakPolarHBondContact O-CD2 3.48Å; S109-L132 WeakPolarHBondContact OG-CD2 3.33Å; A127-L132 WeakPolarHBondContact O-CD1 3.46Å; T129-L132 HydrophobicContact CG2-CD1 4.19Å; T129-L132 WeakPolarHBondContact O-CA 3.28Å; T129-L132 WeakPolarHBondContact O-CB 3.33Å; T129-L132 PolarHBondContact O-N 2.98Å; T129-L132 WeakPolarHBondContact OG1-CG 3.46Å; L132-A134 PolarHBondContact O-N 2.91Å; L132-R135 PolarHBondContact O-N 3.23Å; L132-T136 PolarHBondContact O-N 3.47Å; L132-T136 PolarHBondContact O-OG1 3.12Å; L132-T136 VanDerWaalsContact O-OG1 3.1Å
133	L	91.1	Very high	89.3	Confident	6 Å²	6	13.8 Å²	13.8	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-57.5	-48.8	176.6	-67.3	175.2	0	0	0	111.1	L122 L128 T129 T136 I137 F148 F186	L122-L133 HydrophobicContact CD1-CD2 4.12Å; L128-L133 HydrophobicContact CB-CD2 4.15Å; L128-L133 HydrophobicContact CB-CG 4.43Å; L128-L133 HydrophobicContact CD1-CD2 3.95Å; L128-L133 HydrophobicContact CD2-CD2 4.25Å; L128-L133 HydrophobicContact CG-CD2 4.35Å; T129-L133 PolarHBondContact O-N 2.93Å; L133-T136 PolarHBondContact O-OG1 3.27Å; L133-I137 HydrophobicContact CB-CD1 4.39Å; L133-I137 WeakPolarHBondContact O-CB 3.48Å; L133-I137 WeakPolarHBondContact O-CD1 3.47Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 2.97Å; L133-F148 HydrophobicContact CD2-CE1 3.68Å; L133-F148 HydrophobicContact CD2-CZ 3.97Å; L133-F186 HydrophobicContact CD1-CE2 4.17Å
134	A	89.7	Confident	89.4	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-49.7	177.5	0	0	0	0	0	111.8	P130 L132 T136 E138 Y458 L544	P130-A134 WeakPolarHBondContact O-CB 3.48Å; P130-A134 PolarHBondContact O-N 3.49Å; L132-A134 PolarHBondContact O-N 2.91Å; A134-T136 PolarHBondContact O-N 2.96Å; A134-E138 WeakPolarHBondContact O-CB 3.4Å; A134-E138 WeakPolarHBondContact O-CG 3.45Å; A134-E138 PolarHBondContact O-N 3.21Å; A134-Y458 HydrophobicContact CB-CD1 3.69Å; A134-Y458 HydrophobicContact CB-CG 4Å; A134-L544 HydrophobicContact CB-CD1 3.84Å
135	R	87.3	Confident	89.7	Confident	40 Å²	40	12.1 Å²	12.1	15%	0.151	7%	0.065	C	C	.	.	H	α-helix	trans	-53.9	-53.3	177.7	-73	165.8	-177	-148.3	-11.1	112.6	S109 L113 N131 L132 T139 Y458	S109-R135 PolarHBondContact OG-NH1 3.3Å; L113-R135 HydrophobicContact CD2-CB 4.38Å; L113-R135 HydrophobicContact CD2-CG 4.24Å; N131-R135 WeakPolarHBondContact O-CB 3.47Å; N131-R135 WeakPolarHBondContact O-CD 3.4Å; N131-R135 WeakPolarHBondContact O-CG 3.43Å; N131-R135 PolarHBondContact O-N 2.93Å; N131-R135 PolarHBondContact OD1-NE 3.38Å; L132-R135 PolarHBondContact O-N 3.23Å; R135-T139 WeakPolarHBondContact O-CG2 3.33Å; R135-T139 PolarHBondContact O-N 3.11Å; R135-Y458 HydrophobicContact CB-CE1 4.4Å; R135-Y458 HydrophobicContact CG-CD1 4.18Å; R135-Y458 HydrophobicContact CG-CD2 4.07Å; R135-Y458 HydrophobicContact CG-CE1 3.7Å; R135-Y458 HydrophobicContact CG-CE2 3.59Å; R135-Y458 HydrophobicContact CG-CG 4.35Å
136	T	90.4	Very high	90.1	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-71.3	-44.4	-174.6	57	0	0	0	0	111.6	I112 L122 L132 L133 A134 E138 T139	I112-T136 HydrophobicContact CD1-CG2 4.32Å; L122-T136 HydrophobicContact CD2-CG2 3.93Å; L132-T136 PolarHBondContact O-N 3.47Å; L132-T136 PolarHBondContact O-OG1 3.12Å; L132-T136 VanDerWaalsContact O-OG1 3.1Å; L133-T136 PolarHBondContact O-OG1 3.27Å; A134-T136 PolarHBondContact O-N 2.96Å; T136-E138 VanDerWaalsContact C-N 3.35Å; T136-E138 PolarHBondContact O-N 3.45Å; T136-T139 PolarHBondContact O-N 2.75Å; T136-T139 PolarHBondContact O-OG1 2.94Å
137	I	91.6	Very high	90.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.9	-39.7	179.7	-66.7	170.7	0	0	0	111.1	R24 M26 L133 T139 V140 I146 I536 W539 L540	R24-I137 PolarHBondContact NH1-O 3.17Å; M26-I137 HydrophobicContact CE-CD1 4.15Å; L133-I137 HydrophobicContact CB-CD1 4.39Å; L133-I137 WeakPolarHBondContact O-CB 3.48Å; L133-I137 WeakPolarHBondContact O-CD1 3.47Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 2.97Å; I137-T139 VanDerWaalsContact C-N 3.26Å; I137-T139 PolarHBondContact O-N 2.94Å; I137-V140 PolarHBondContact O-N 3.09Å; I137-I146 HydrophobicContact CB-CD1 4.41Å; I137-I146 HydrophobicContact CG1-CD1 4.2Å; I137-I146 HydrophobicContact CG1-CG2 4.36Å; I137-I146 HydrophobicContact CG2-CD1 3.85Å; I137-I536 HydrophobicContact CG2-CG2 4.1Å; I137-W539 HydrophobicContact CD1-CZ3 4.09Å; I137-L540 HydrophobicContact CB-CD2 4.34Å; I137-L540 HydrophobicContact CD1-CD1 4.19Å; I137-L540 HydrophobicContact CG2-CD2 3.95Å
138	E	88.1	Confident	90.7	Very high	9 Å²	9	7.5 Å²	7.5	4%	0.042	4%	0.042	C	C	.	.	H	α-helix	trans	-64.9	-22.5	174.2	-75.1	177.6	-158.1	0	0	113.6	A134 T136 V140 R323 Y458 R529	A134-E138 WeakPolarHBondContact O-CB 3.4Å; A134-E138 WeakPolarHBondContact O-CG 3.45Å; A134-E138 PolarHBondContact O-N 3.21Å; T136-E138 VanDerWaalsContact C-N 3.35Å; T136-E138 PolarHBondContact O-N 3.45Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-R323 VanDerWaalsContact OE2-CB 3.3Å; E138-R323 WeakPolarHBondContact OE2-CB 3.35Å; E138-R323 WeakPolarHBondContact OE2-CD 3.49Å; E138-Y458 WeakPolarHBondContact OE2-CE1 3.3Å; E138-R529 WeakPolarHBondContact O-CD 3.2Å; E138-R529 PolarHBondContact O-NH1 3.03Å
139	T	88.7	Confident	90.8	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-75.8	-16.3	175.3	62.7	0	0	0	0	114.5	T116 F117 R135 T136 I137	T116-T139 WeakPolarHBondContact CA-O 3.32Å; F117-T139 PolarHBondContact N-O 3.33Å; R135-T139 WeakPolarHBondContact O-CG2 3.33Å; R135-T139 PolarHBondContact O-N 3.11Å; T136-T139 PolarHBondContact O-N 2.75Å; T136-T139 PolarHBondContact O-OG1 2.94Å; I137-T139 VanDerWaalsContact C-N 3.26Å; I137-T139 PolarHBondContact O-N 2.94Å
140	V	92.1	Very high	90.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.7	-174.5	-178.7	0	0	0	0	112.4	R24 F117 C120 I137 E138 I146	R24-V140 HydrophobicContact CG-CG1 4.3Å; F117-V140 CarbonylContact O-C 3.6Å; F117-V140 VanDerWaalsContact O-CA 3.29Å; F117-V140 WeakPolarHBondContact O-CA 3.47Å; C120-V140 HydrophobicContact CB-CG2 3.5Å; I137-V140 PolarHBondContact O-N 3.09Å; E138-V140 VanDerWaalsContact C-N 3.33Å; V140-I146 HydrophobicContact CB-CG1 4.26Å; V140-I146 HydrophobicContact CG1-CG1 4.31Å; V140-I146 HydrophobicContact CG2-CG1 3.81Å
141	S	91.4	Very high	90.3	Very high	13 Å²	13	13.9 Å²	13.9	9%	0.091	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	160.1	-178.9	82.7	0	0	0	0	113	K51 F117 D118 G143 G144 R529	K51-S141 PolarHBondContact NZ-OG 2.99Å; F117-S141 PolarHBondContact O-N 3.31Å; D118-S141 PolarHBondContact OD1-OG 3.36Å; S141-G143 PolarHBondContact O-N 2.64Å; S141-G144 WeakPolarHBondContact O-CA 3.33Å; S141-G144 PolarHBondContact O-N 2.74Å; S141-R529 CarbonylContact C-O 3.53Å; S141-R529 WeakPolarHBondContact CA-O 3.21Å
142	G	88.5	Confident	89.5	Confident	10 Å²	10	16 Å²	16	10%	0.103	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	128.7	173.2	0	0	0	0	0	112.2	K22 K51 G144 R529	K22-G142 WeakPolarHBondContact O-CA 3.44Å; K51-G142 PolarHBondContact NZ-O 3.2Å; G142-G144 VanDerWaalsContact C-N 3.27Å; G142-R529 PolarHBondContact N-O 2.92Å
143	G	87.1	Confident	88.8	Confident	6 Å²	6	16.4 Å²	16.4	6%	0.062	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-5.7	-168.2	0	0	0	0	0	114.4	H23 S141	H23-G143 VanDerWaalsContact O-CA 3.24Å; H23-G143 WeakPolarHBondContact O-CA 3.5Å; H23-G143 PolarHBondContact O-N 3.39Å; S141-G143 PolarHBondContact O-N 2.64Å
144	G	92.1	Very high	87.8	Confident	2 Å²	2	19.4 Å²	19.4	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	169.7	-178.3	0	0	0	0	0	115.1	S25 D118 S141 G142	S25-G144 PolarHBondContact N-O 3.25Å; D118-G144 CarbonylContact O-C 3.6Å; D118-G144 WeakPolarHBondContact O-CA 3.4Å; S141-G144 WeakPolarHBondContact O-CA 3.33Å; S141-G144 PolarHBondContact O-N 2.74Å; G142-G144 VanDerWaalsContact C-N 3.27Å
145	L	94.1	Very high	87.2	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.4	-170.5	-177.8	56.7	0	0	0	112.4	L15 F27 M41 L45 D118 M119 C120 V147	L15-L145 HydrophobicContact CD2-CD1 4.2Å; L15-L145 HydrophobicContact CD2-CD2 4.48Å; F27-L145 HydrophobicContact CB-CD1 4.46Å; F27-L145 HydrophobicContact CD1-CD1 4.14Å; F27-L145 HydrophobicContact CD2-CD1 4.05Å; F27-L145 HydrophobicContact CD2-CD2 4.33Å; F27-L145 HydrophobicContact CE1-CD1 4.34Å; F27-L145 HydrophobicContact CE2-CD1 4.26Å; F27-L145 HydrophobicContact CE2-CD2 4.31Å; F27-L145 HydrophobicContact CG-CD1 3.95Å; F27-L145 HydrophobicContact CZ-CD1 4.38Å; M41-L145 HydrophobicContact CB-CD2 4.2Å; M41-L145 HydrophobicContact CE-CD2 4.44Å; L45-L145 HydrophobicContact CD2-CB 3.9Å; D118-L145 PolarHBondContact O-N 3.01Å; M119-L145 WeakPolarHBondContact CA-O 3.38Å; M119-L145 HydrophobicContact CE-CD2 4.29Å; C120-L145 PolarHBondContact N-O 3.16Å; L145-V147 HydrophobicContact CD2-CG2 4.49Å; L145-V147 HydrophobicContact CG-CG2 4.09Å
146	I	95.6	Very high	86.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.7	172	-59.7	149	0	0	0	108.2	S25 M26 F27 I137 V140 F148 I536	S25-I146 PolarHBondContact O-N 3.09Å; M26-I146 WeakPolarHBondContact CA-O 3.41Å; M26-I146 HydrophobicContact CB-CB 4.42Å; M26-I146 HydrophobicContact CE-CD1 4.14Å; M26-I146 HydrophobicContact CE-CG2 4.23Å; M26-I146 HydrophobicContact CG-CB 4.48Å; M26-I146 HydrophobicContact CG-CG2 4.45Å; F27-I146 PolarHBondContact N-O 2.81Å; I137-I146 HydrophobicContact CB-CD1 4.41Å; I137-I146 HydrophobicContact CG1-CD1 4.2Å; I137-I146 HydrophobicContact CG1-CG2 4.36Å; I137-I146 HydrophobicContact CG2-CD1 3.85Å; V140-I146 HydrophobicContact CB-CG1 4.26Å; V140-I146 HydrophobicContact CG1-CG1 4.31Å; V140-I146 HydrophobicContact CG2-CG1 3.81Å; I146-F148 HydrophobicContact CG2-CD2 4.27Å; I146-F148 HydrophobicContact CG2-CE2 3.8Å; I146-I536 HydrophobicContact CD1-CD1 4.49Å; I146-I536 HydrophobicContact CD1-CG2 4.02Å
147	V	94.8	Very high	86.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.5	-178.5	-174.6	0	0	0	0	110	F27 M29 M41 M119 C120 V121 L122 L145 L149	F27-V147 WeakPolarHBondContact O-CA 3.45Å; M29-V147 HydrophobicContact CG-CG1 4.25Å; M41-V147 HydrophobicContact CE-CB 4.17Å; M41-V147 HydrophobicContact CE-CG1 3.64Å; M41-V147 HydrophobicContact CE-CG2 3.49Å; M41-V147 VanDerWaalsContact CE-CG2 3.49Å; M41-V147 HydrophobicContact SD-CG1 4.28Å; M41-V147 HydrophobicContact SD-CG2 4.42Å; M119-V147 HydrophobicContact CE-CG2 3.68Å; C120-V147 PolarHBondContact O-N 2.97Å; V121-V147 HydrophobicContact CG2-CB 4.35Å; L122-V147 PolarHBondContact N-O 3.29Å; L145-V147 HydrophobicContact CD2-CG2 4.49Å; L145-V147 HydrophobicContact CG-CG2 4.09Å; V147-L149 HydrophobicContact CG1-CD2 3.77Å; V147-L149 HydrophobicContact CG1-CG 4.39Å
148	F	93.4	Very high	85.8	Confident	3 Å²	3	27.8 Å²	27.8	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.6	163.1	-65.9	-101.3	0	0	0	108.6	M26 F27 V28 M29 L122 F125 L128 L133 I146 F186	M26-F148 HydrophobicContact CE-CE2 3.86Å; M26-F148 HydrophobicContact CE-CZ 4.5Å; M26-F148 HydrophobicContact CG-CD2 4.16Å; M26-F148 HydrophobicContact CG-CE2 3.96Å; M26-F148 HydrophobicContact SD-CD2 4.31Å; M26-F148 HydrophobicContact SD-CE2 3.65Å; F27-F148 PolarHBondContact O-N 3.04Å; V28-F148 HydrophobicContact CB-CB 4.45Å; V28-F148 HydrophobicContact CG1-CB 4.24Å; V28-F148 HydrophobicContact CG2-CB 4.19Å; V28-F148 HydrophobicContact CG2-CD2 4.08Å; V28-F148 HydrophobicContact CG2-CG 4.38Å; M29-F148 PolarHBondContact N-O 2.91Å; L122-F148 HydrophobicContact CB-CD1 4.41Å; L122-F148 HydrophobicContact CD1-CD1 4.08Å; L122-F148 HydrophobicContact CD1-CE1 3.65Å; L122-F148 HydrophobicContact CD1-CE2 4.4Å; L122-F148 HydrophobicContact CD1-CZ 3.83Å; F125-F148 HydrophobicContact CD2-CD1 4.4Å; L128-F148 HydrophobicContact CD1-CD1 3.95Å; L128-F148 HydrophobicContact CD1-CE1 3.87Å; L133-F148 HydrophobicContact CD2-CE1 3.68Å; L133-F148 HydrophobicContact CD2-CZ 3.97Å; I146-F148 HydrophobicContact CG2-CD2 4.27Å; I146-F148 HydrophobicContact CG2-CE2 3.8Å; F148-F186 HydrophobicContact CE1-CZ 4.12Å; F148-F186 HydrophobicContact CZ-CZ 4.23Å
149	L	91.1	Very high	85.5	Confident	12 Å²	12	27.9 Å²	27.9	6%	0.063	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.8	167.8	-55.1	179.9	0	0	0	108.5	M29 Q35 V38 W58 V121 L122 Q123 V147	M29-L149 HydrophobicContact CB-CD2 4.03Å; M29-L149 HydrophobicContact CG-CD2 4.22Å; Q35-L149 HydrophobicContact CG-CD1 3.89Å; V38-L149 HydrophobicContact CG2-CD1 4.46Å; V38-L149 HydrophobicContact CG2-CD2 4.13Å; W58-L149 HydrophobicContact CH2-CD1 4.35Å; W58-L149 HydrophobicContact CZ2-CD1 4.16Å; V121-L149 HydrophobicContact CG1-CD1 3.75Å; V121-L149 HydrophobicContact CG1-CG 4.04Å; L122-L149 PolarHBondContact O-N 3.39Å; Q123-L149 HydrophobicContact CG-CD1 4.3Å; Q123-L149 VanDerWaalsContact O-O 3.1Å; V147-L149 HydrophobicContact CG1-CD2 3.77Å; V147-L149 HydrophobicContact CG1-CG 4.39Å
150	L	87.9	Confident	85	Confident	13 Å²	13	29.1 Å²	29.1	7%	0.068	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.7	174.5	-62.5	176.5	0	0	0	107.8	V28 M29 V30 G31 F125 L159	V28-L150 HydrophobicContact CG1-CD1 3.47Å; V28-L150 VanDerWaalsContact CG1-CD1 3.47Å; V28-L150 HydrophobicContact CG1-CG 4.16Å; M29-L150 PolarHBondContact O-N 3.33Å; V30-L150 HydrophobicContact CG2-CB 4.5Å; V30-L150 HydrophobicContact CG2-CD1 4.14Å; G31-L150 PolarHBondContact N-O 3.34Å; F125-L150 HydrophobicContact CB-CD2 3.53Å; F125-L150 HydrophobicContact CD1-CD2 4.48Å; F125-L150 HydrophobicContact CD2-CD2 3.86Å; F125-L150 HydrophobicContact CG-CD2 3.71Å; L150-L159 HydrophobicContact CD1-CD1 3.96Å; L150-L159 HydrophobicContact CD1-CD2 3.89Å; L150-L159 HydrophobicContact CD2-CD2 3.93Å; L150-L159 HydrophobicContact CG-CD2 4.48Å
151	K	82	Confident	84.6	Confident	132 Å²	132	34.4 Å²	34.4	57%	0.574	20%	0.198	S	C	*	.			trans	-58.2	154.7	173.3	-64.3	172.2	-172.4	163.5	0	109.6	G31 M153	G31-K151 WeakPolarHBondContact O-CA 3.43Å; K151-M153 PolarHBondContact O-N 2.88Å; K151-M153 VanDerWaalsContact O-N 3.14Å
152	S	71.4	Confident	84.1	Confident	72 Å²	72	35.7 Å²	35.7	50%	0.503	20%	0.203	S	C	.	.			trans	-56.5	120.5	-168.3	-175.7	0	0	0	0	112.9	N32	N32-S152 VanDerWaalsContact CG-CB 3.43Å; N32-S152 WeakPolarHBondContact OD1-CB 3.37Å; N32-S152 PolarHBondContact OD1-N 3.37Å
153	M	75.5	Confident	83.9	Confident	25 Å²	25	39.1 Å²	39.1	12%	0.123	22%	0.222	C	C	.	.			trans	-111.6	150.1	170.2	-70.2	-172.2	172.5	0	0	109.1	K151 Q158 L159 M162 L802	K151-M153 PolarHBondContact O-N 2.88Å; K151-M153 VanDerWaalsContact O-N 3.14Å; M153-Q158 HydrophobicContact CB-CB 4.43Å; M153-Q158 HydrophobicContact CE-CB 4.5Å; M153-Q158 HydrophobicContact CG-CB 4.29Å; M153-Q158 HydrophobicContact SD-CB 3.75Å; M153-L159 HydrophobicContact CE-CD2 3.67Å; M153-L159 HydrophobicContact CE-CG 4.31Å; M153-L159 HydrophobicContact SD-CD2 3.56Å; M153-L159 VanDerWaalsContact SD-CD2 3.56Å; M153-L159 HydrophobicContact SD-CG 3.65Å; M153-M162 HydrophobicContact CE-CE 3.43Å; M153-M162 VanDerWaalsContact CE-CE 3.43Å; M153-M162 HydrophobicContact CE-SD 3.9Å; M153-L802 WeakPolarHBondContact O-CD1 3.33Å
154	A	70.3	Confident	83.7	Confident	69 Å²	69	39.1 Å²	39.1	57%	0.57	22%	0.221	S	C	*	.	S	Bend	trans	-80.8	-28	177	0	0	0	0	0	112.6
155	S	77.9	Confident	83.4	Confident	18 Å²	18	41.7 Å²	41.7	13%	0.126	23%	0.234	C	C	.	.	S	Bend	trans	-146.7	146.5	179.4	165.5	0	0	0	0	109.7	Q157 Q158 E805	S155-Q157 PolarHBondContact O-N 3.04Å; S155-Q157 PolarHBondContact OG-N 3.03Å; S155-Q158 WeakPolarHBondContact O-CB 3.42Å; S155-Q158 WeakPolarHBondContact O-CG 3.47Å; S155-Q158 PolarHBondContact O-N 3.27Å; S155-Q158 VanDerWaalsContact O-N 3.16Å; S155-E805 WeakPolarHBondContact CA-OE2 3.29Å; S155-E805 WeakPolarHBondContact CB-OE2 3.24Å; S155-E805 PolarHBondContact OG-OE1 3.22Å; S155-E805 PolarHBondContact OG-OE2 3.2Å
156	L	78.3	Confident	82.8	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.4	178.7	-70.7	175.6	0	0	0	112.7	V30 Q158 L159 L187 L206 L802 E805 I807	V30-L156 HydrophobicContact CG2-CD2 4.21Å; L156-Q158 PolarHBondContact O-N 2.79Å; L156-Q158 VanDerWaalsContact O-N 3.15Å; L156-L159 HydrophobicContact CD2-CD1 4Å; L156-L159 WeakPolarHBondContact O-CB 3.26Å; L156-L159 PolarHBondContact O-N 3.48Å; L156-L187 HydrophobicContact CB-CD2 4.44Å; L156-L206 HydrophobicContact CD1-CD1 4.04Å; L156-L206 HydrophobicContact CD2-CD1 4.37Å; L156-L206 HydrophobicContact CG-CD1 4.44Å; L156-L802 HydrophobicContact CD2-CD2 4.45Å; L156-L802 HydrophobicContact CG-CD2 4.19Å; L156-E805 PolarHBondContact N-OE2 3.24Å; L156-I807 HydrophobicContact CB-CD1 3.78Å; L156-I807 HydrophobicContact CD1-CD1 4.11Å
157	Q	79.2	Confident	82.3	Confident	110 Å²	110	42.6 Å²	42.6	51%	0.514	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.2	170.9	-79.9	160.4	74.5	0	0	113.5	S155 L159 C160 E805	S155-Q157 PolarHBondContact O-N 3.04Å; S155-Q157 PolarHBondContact OG-N 3.03Å; Q157-L159 PolarHBondContact O-N 3.03Å; Q157-C160 WeakPolarHBondContact O-CB 3.47Å; Q157-C160 PolarHBondContact O-N 3.45Å; Q157-E805 WeakPolarHBondContact CG-OE1 3.32Å; Q157-E805 PolarHBondContact N-OE1 3.49Å; Q157-E805 PolarHBondContact NE2-OE1 2.74Å
158	Q	82	Confident	81.7	Confident	83 Å²	83	46.4 Å²	46.4	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-20.2	175.4	-63	-179.7	-41	0	0	112.7	M153 S155 L156 T161 M162	M153-Q158 HydrophobicContact CB-CB 4.43Å; M153-Q158 HydrophobicContact CE-CB 4.5Å; M153-Q158 HydrophobicContact CG-CB 4.29Å; M153-Q158 HydrophobicContact SD-CB 3.75Å; S155-Q158 WeakPolarHBondContact O-CB 3.42Å; S155-Q158 WeakPolarHBondContact O-CG 3.47Å; S155-Q158 PolarHBondContact O-N 3.27Å; S155-Q158 VanDerWaalsContact O-N 3.16Å; L156-Q158 PolarHBondContact O-N 2.79Å; L156-Q158 VanDerWaalsContact O-N 3.15Å; Q158-T161 PolarHBondContact O-OG1 2.94Å; Q158-M162 WeakPolarHBondContact O-CB 3.42Å; Q158-M162 PolarHBondContact O-N 2.89Å
159	L	81.4	Confident	81.1	Confident	10 Å²	10	54 Å²	54	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-33.6	170.8	-64.4	166.3	0	0	0	112.3	F125 L150 M153 L156 Q157 T161 N183 L187	F125-L159 HydrophobicContact CD1-CD2 4.49Å; L150-L159 HydrophobicContact CD1-CD1 3.96Å; L150-L159 HydrophobicContact CD1-CD2 3.89Å; L150-L159 HydrophobicContact CD2-CD2 3.93Å; L150-L159 HydrophobicContact CG-CD2 4.48Å; M153-L159 HydrophobicContact CE-CD2 3.67Å; M153-L159 HydrophobicContact CE-CG 4.31Å; M153-L159 HydrophobicContact SD-CD2 3.56Å; M153-L159 VanDerWaalsContact SD-CD2 3.56Å; M153-L159 HydrophobicContact SD-CG 3.65Å; L156-L159 HydrophobicContact CD2-CD1 4Å; L156-L159 WeakPolarHBondContact O-CB 3.26Å; L156-L159 PolarHBondContact O-N 3.48Å; Q157-L159 PolarHBondContact O-N 3.03Å; L159-T161 VanDerWaalsContact C-N 3.33Å; L159-N183 WeakPolarHBondContact O-CB 3.12Å; L159-N183 PolarHBondContact O-ND2 2.69Å; L159-L187 HydrophobicContact CB-CD2 4.42Å; L159-L187 HydrophobicContact CD1-CD1 4.1Å; L159-L187 HydrophobicContact CD1-CD2 4.32Å
160	C	79.8	Confident	80.8	Confident	27 Å²	27	54.8 Å²	54.8	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-72.6	-28.1	179.9	-57.3	0	0	0	0	112.2	Q157 E184	Q157-C160 WeakPolarHBondContact O-CB 3.47Å; Q157-C160 PolarHBondContact O-N 3.45Å; C160-E184 HydrophobicContact CB-CB 4.33Å
161	T	82	Confident	80.5	Confident	111 Å²	111	59.5 Å²	59.5	68%	0.681	31%	0.314	S	S	*	.	H	α-helix	trans	-97.6	-7.4	177.5	56	0	0	0	0	113.8	Q158 L159 V163	Q158-T161 PolarHBondContact O-OG1 2.94Å; L159-T161 VanDerWaalsContact C-N 3.33Å; T161-V163 PolarHBondContact O-N 3.07Å
162	M	82.1	Confident	80.3	Confident	40 Å²	40	53.7 Å²	53.7	20%	0.197	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-60.7	122.9	176.5	175.8	166.9	-102.1	0	0	111.5	F125 E126 M153 Q158 N183	F125-M162 HydrophobicContact CD1-SD 3.95Å; E126-M162 HydrophobicContact CG-CE 3.75Å; E126-M162 HydrophobicContact CG-CG 4.25Å; E126-M162 HydrophobicContact CG-SD 3.77Å; M153-M162 HydrophobicContact CE-CE 3.43Å; M153-M162 VanDerWaalsContact CE-CE 3.43Å; M153-M162 HydrophobicContact CE-SD 3.9Å; Q158-M162 WeakPolarHBondContact O-CB 3.42Å; Q158-M162 PolarHBondContact O-N 2.89Å; M162-N183 PolarHBondContact O-ND2 3.38Å
163	V	83	Confident	80.5	Confident	83 Å²	83	52.5 Å²	52.5	50%	0.503	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-74.5	124.7	173.4	-178.1	0	0	0	0	108.9	T161 H167	T161-V163 PolarHBondContact O-N 3.07Å; V163-H167 HydrophobicContact CG1-CB 3.94Å
164	M	84.3	Confident	80.4	Confident	5 Å²	5	54 Å²	54	3%	0.025	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-89.4	153.3	178.8	-55	-68.4	-74.9	0	0	110	F125 E126 L128 V166 H167 N183	F125-M164 HydrophobicContact CD1-CE 4.28Å; F125-M164 HydrophobicContact CD1-SD 4.09Å; F125-M164 HydrophobicContact CE1-CE 4.14Å; F125-M164 HydrophobicContact CE1-SD 3.98Å; F125-M164 WeakPolarHBondContact O-CE 3.5Å; E126-M164 WeakPolarHBondContact O-CA 3.27Å; L128-M164 WeakPolarHBondContact O-CE 3.42Å; M164-V166 PolarHBondContact O-N 2.9Å; M164-V166 VanDerWaalsContact O-N 3.12Å; M164-H167 PolarHBondContact N-CE1 2.67Å; M164-H167 PolarHBondContact N-ND1 3.08Å; M164-H167 WeakPolarHBondContact O-CB 3.25Å; M164-H167 PolarHBondContact O-N 3.37Å; M164-N183 PolarHBondContact SD-ND2 3.28Å; M164-N183 VanDerWaalsContact SD-ND2 3.4Å
165	D	84.9	Confident	80.7	Confident	57 Å²	57	53.4 Å²	53.4	31%	0.305	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.8	-38	178.7	-82.1	-49.1	0	0	0	113.2	K61 E126 A127 H167 S168	K61-D165 WeakPolarHBondContact CD-OD2 3.45Å; K61-D165 WeakPolarHBondContact CE-OD2 3.42Å; K61-D165 IonicContact NZ-OD1 2.68Å; K61-D165 PolarHBondContact NZ-OD1 3.22Å; K61-D165 IonicContact NZ-OD2 3.01Å; K61-D165 PolarHBondContact NZ-OD2 3.46Å; E126-D165 PolarHBondContact O-N 3.35Å; A127-D165 WeakPolarHBondContact CA-OD2 3.32Å; A127-D165 WeakPolarHBondContact CB-OD2 3.33Å; D165-H167 PolarHBondContact O-N 3.44Å; D165-S168 WeakPolarHBondContact O-CB 3.35Å; D165-S168 PolarHBondContact O-N 2.68Å; D165-S168 PolarHBondContact O-OG 3.35Å
166	V	82.4	Confident	80.7	Confident	17 Å²	17	57.8 Å²	57.8	10%	0.103	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64.5	-26.6	-179.2	-159	0	0	0	0	112	T129 M164 S168 R169 Y170	T129-V166 HydrophobicContact CG2-CG2 3.42Å; T129-V166 VanDerWaalsContact CG2-CG2 3.42Å; M164-V166 PolarHBondContact O-N 2.9Å; M164-V166 VanDerWaalsContact O-N 3.12Å; V166-S168 PolarHBondContact O-N 3.02Å; V166-R169 WeakPolarHBondContact O-CB 3.44Å; V166-R169 PolarHBondContact O-N 2.83Å; V166-Y170 HydrophobicContact CB-CE2 4.46Å; V166-Y170 HydrophobicContact CG1-CD1 4.4Å; V166-Y170 HydrophobicContact CG1-CE1 3.68Å; V166-Y170 HydrophobicContact CG1-CE2 3.97Å; V166-Y170 VanDerWaalsContact CG1-CZ 3.44Å; V166-Y170 WeakPolarHBondContact CG1-OH 3.41Å
167	H	85.5	Confident	80.9	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-61.2	-27.1	179.6	-61	170.6	0	0	0	112.2	V163 M164 D165 R169 Y170 R171 V178 D616	V163-H167 HydrophobicContact CG1-CB 3.94Å; M164-H167 PolarHBondContact N-CE1 2.67Å; M164-H167 PolarHBondContact N-ND1 3.08Å; M164-H167 WeakPolarHBondContact O-CB 3.25Å; M164-H167 PolarHBondContact O-N 3.37Å; D165-H167 PolarHBondContact O-N 3.44Å; H167-R169 PolarHBondContact O-N 3.44Å; H167-Y170 PolarHBondContact O-N 3.46Å; H167-Y170 VanDerWaalsContact O-N 3.11Å; H167-R171 PolarHBondContact O-N 2.91Å; H167-V178 HydrophobicContact CB-CB 4.33Å; H167-V178 HydrophobicContact CB-CG1 3.87Å; H167-V178 HydrophobicContact CB-CG2 4.28Å; H167-V178 VanDerWaalsContact CG-CG1 3.49Å; H167-D616 IonicContact CD2-OD2 2.76Å; H167-D616 IonicContact CE1-OD2 2.74Å; H167-D616 IonicContact NE2-OD2 3.17Å; H167-D616 PolarHBondContact NE2-OD2 2.9Å
168	S	81.5	Confident	81.2	Confident	80 Å²	80	60.5 Å²	60.5	56%	0.559	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.4	170.9	65.9	0	0	0	0	113.4	D165 V166	D165-S168 WeakPolarHBondContact O-CB 3.35Å; D165-S168 PolarHBondContact O-N 2.68Å; D165-S168 PolarHBondContact O-OG 3.35Å; V166-S168 PolarHBondContact O-N 3.02Å
169	R	81.6	Confident	81.4	Confident	162 Å²	162	59.7 Å²	59.7	61%	0.611	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-87.8	-9.4	179.5	-53.7	-178.2	-175.8	175.9	1.7	113.3	V166 H167	V166-R169 WeakPolarHBondContact O-CB 3.44Å; V166-R169 PolarHBondContact O-N 2.83Å; H167-R169 PolarHBondContact O-N 3.44Å
170	Y	83	Confident	81.7	Confident	29 Å²	29	59.7 Å²	59.7	11%	0.114	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-11.7	-176.3	-66	-9.7	0	0	0	113.3	V166 H167 Q612 L613 D616 A617	V166-Y170 HydrophobicContact CB-CE2 4.46Å; V166-Y170 HydrophobicContact CG1-CD1 4.4Å; V166-Y170 HydrophobicContact CG1-CE1 3.68Å; V166-Y170 HydrophobicContact CG1-CE2 3.97Å; V166-Y170 VanDerWaalsContact CG1-CZ 3.44Å; V166-Y170 WeakPolarHBondContact CG1-OH 3.41Å; H167-Y170 PolarHBondContact O-N 3.46Å; H167-Y170 VanDerWaalsContact O-N 3.11Å; Y170-Q612 HydrophobicContact CE2-CG 4.42Å; Y170-L613 HydrophobicContact CD1-CD1 3.74Å; Y170-L613 HydrophobicContact CE1-CB 4.37Å; Y170-L613 HydrophobicContact CE1-CD1 3.41Å; Y170-L613 VanDerWaalsContact CE1-CD1 3.41Å; Y170-L613 HydrophobicContact CE1-CG 4.49Å; Y170-L613 HydrophobicContact CG-CD1 4.44Å; Y170-L613 PolarHBondContact OH-N 2.98Å; Y170-D616 HydrophobicContact CD2-CB 4.25Å; Y170-D616 HydrophobicContact CE2-CB 4.39Å; Y170-A617 HydrophobicContact CD1-CB 4.33Å; Y170-A617 HydrophobicContact CD2-CB 3.9Å; Y170-A617 HydrophobicContact CG-CB 3.76Å
171	R	82.6	Confident	82.2	Confident	112 Å²	112	59.5 Å²	59.5	42%	0.423	31%	0.31	S	S	.	.			trans	-75.5	124.7	170.1	-68.1	177.5	175.3	153.2	2.6	109.2	H167 H176 V178	H167-R171 PolarHBondContact O-N 2.91Å; R171-H176 PolarHBondContact NE-O 3.12Å; R171-V178 HydrophobicContact CG-CG2 3.83Å
172	T	78.4	Confident	82.6	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.055	28%	0.279	C	S	.	.			trans	-89.8	168.3	161.6	61.1	0	0	0	0	109.1	S174 Q175 H176 A619	T172-S174 PolarHBondContact O-N 3.13Å; T172-S174 PolarHBondContact OG1-OG 3.19Å; T172-S174 VanDerWaalsContact OG1-OG 3.11Å; T172-Q175 PolarHBondContact N-O 3.27Å; T172-Q175 CarbonylContact O-C 3.53Å; T172-Q175 PolarHBondContact O-N 3.08Å; T172-Q175 PolarHBondContact OG1-N 3.02Å; T172-H176 PolarHBondContact O-ND1 2.89Å; T172-A619 HydrophobicContact CG2-CB 4.35Å
173	E	73.8	Confident	83	Confident	47 Å²	47	52.8 Å²	52.8	22%	0.22	27%	0.27	C	S	.	.	S	Bend	trans	-63	-28	172.6	-68.5	-160	-155.8	0	0	112.6	H176 R655	E173-H176 PolarHBondContact O-CE1 2.96Å; E173-R655 WeakPolarHBondContact OE2-CD 3.5Å; E173-R655 IonicContact OE2-CZ 2.75Å; E173-R655 IonicContact OE2-NE 3.21Å; E173-R655 IonicContact OE2-NH1 2.63Å; E173-R655 PolarHBondContact OE2-NH1 3.32Å
174	S	75.2	Confident	83.2	Confident	56 Å²	56	50.6 Å²	50.6	39%	0.392	25%	0.254	S	S	.	.	S	Bend	trans	-86.4	-17.2	177.2	49.3	0	0	0	0	114.5	T172 G649	T172-S174 PolarHBondContact O-N 3.13Å; T172-S174 PolarHBondContact OG1-OG 3.19Å; T172-S174 VanDerWaalsContact OG1-OG 3.11Å; S174-G649 PolarHBondContact OG-O 2.87Å
175	Q	75.2	Confident	83.5	Confident	57 Å²	57	50.3 Å²	50.3	27%	0.266	25%	0.253	S	S	.	.			trans	-144.5	98.8	-175.8	-60.6	-167.4	0.4	0	0	113.2	T172 P618 A619	T172-Q175 PolarHBondContact N-O 3.27Å; T172-Q175 CarbonylContact O-C 3.53Å; T172-Q175 PolarHBondContact O-N 3.08Å; T172-Q175 PolarHBondContact OG1-N 3.02Å; Q175-P618 HydrophobicContact CB-CB 4.18Å; Q175-P618 HydrophobicContact CB-CG 3.88Å; Q175-P618 PolarHBondContact OE1-O 3.42Å; Q175-A619 VanDerWaalsContact OE1-CA 3.22Å
176	H	78.5	Confident	83.8	Confident	110 Å²	110	48 Å²	48	51%	0.509	24%	0.241	S	C	.	.			trans	-91.4	-19.1	179.8	-51.4	-24.2	0	0	0	114.5	R171 T172 E173 V178	R171-H176 PolarHBondContact NE-O 3.12Å; T172-H176 PolarHBondContact O-ND1 2.89Å; E173-H176 PolarHBondContact O-CE1 2.96Å; H176-V178 PolarHBondContact O-N 3.44Å
177	N	83.4	Confident	84.1	Confident	143 Å²	143	47.6 Å²	47.6	77%	0.765	24%	0.238	S	C	*	.			trans	-80.6	81.6	-169.4	-69.9	-7.5	0	0	0	112.5
178	V	85.3	Confident	84.3	Confident	30 Å²	30	48.2 Å²	48.2	18%	0.182	24%	0.241	C	C	.	.			trans	-79.9	139	172.8	-178.8	0	0	0	0	110.3	H167 R171 H176 D616 P618	H167-V178 HydrophobicContact CB-CB 4.33Å; H167-V178 HydrophobicContact CB-CG1 3.87Å; H167-V178 HydrophobicContact CB-CG2 4.28Å; H167-V178 VanDerWaalsContact CG-CG1 3.49Å; R171-V178 HydrophobicContact CG-CG2 3.83Å; H176-V178 PolarHBondContact O-N 3.44Å; V178-D616 HydrophobicContact CG1-CB 4.07Å; V178-P618 HydrophobicContact CG2-CG 4.44Å
179	V	86.2	Confident	84.7	Confident	67 Å²	67	44.4 Å²	44.4	41%	0.406	21%	0.214	S	C	.	.			trans	-121.9	126	177.4	-180	0	0	0	0	108.9	R181	V179-R181 HydrophobicContact CB-CG 4.49Å; V179-R181 HydrophobicContact CG1-CG 4.06Å; V179-R181 PolarHBondContact O-N 2.98Å
180	G	86.5	Confident	85	Confident	9 Å²	9	37.2 Å²	37.2	9%	0.093	19%	0.188	C	C	.	.			trans	-72.8	51	-175	0	0	0	0	0	115.4	F182 N183 E184	G180-F182 PolarHBondContact O-N 3.48Å; G180-N183 WeakPolarHBondContact O-CB 3.04Å; G180-N183 PolarHBondContact O-N 3.13Å; G180-E184 PolarHBondContact O-N 3.4Å
181	R	90	Very high	85.1	Confident	23 Å²	23	37.2 Å²	37.2	9%	0.087	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-36.2	-178.4	-66	-173.5	-172.2	80.2	11	112.4	V179 N183 E184 R185 D579 F582 S615 D616	V179-R181 HydrophobicContact CB-CG 4.49Å; V179-R181 HydrophobicContact CG1-CG 4.06Å; V179-R181 PolarHBondContact O-N 2.98Å; R181-N183 VanDerWaalsContact C-N 3.32Å; R181-N183 PolarHBondContact O-N 2.92Å; R181-E184 PolarHBondContact O-N 2.91Å; R181-R185 PolarHBondContact O-N 3.23Å; R181-D579 IonicContact CZ-OD1 2.7Å; R181-D579 VanDerWaalsContact CZ-OD1 3.23Å; R181-D579 IonicContact CZ-OD2 3.22Å; R181-D579 VanDerWaalsContact NE-CG 3.34Å; R181-D579 IonicContact NE-OD1 2.81Å; R181-D579 PolarHBondContact NE-OD1 3.4Å; R181-D579 IonicContact NE-OD2 3.5Å; R181-D579 IonicContact NH2-OD1 3.54Å; R181-D579 PolarHBondContact NH2-OD1 3.36Å; R181-D579 IonicContact NH2-OD2 2.92Å; R181-D579 PolarHBondContact NH2-OD2 2.83Å; R181-D579 VanDerWaalsContact NH2-OD2 3.12Å; R181-F582 HydrophobicContact CB-CB 4.11Å; R181-F582 HydrophobicContact CB-CD2 4.48Å; R181-F582 HydrophobicContact CB-CG 4.38Å; R181-S615 WeakPolarHBondContact CD-O 3.38Å; R181-S615 PolarHBondContact NH1-O 2.9Å; R181-D616 PolarHBondContact N-OD1 2.97Å
182	F	91.3	Very high	85.2	Confident	7 Å²	7	34.8 Å²	34.8	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-40.6	175.1	-172.6	-97.3	0	0	0	112.2	P130 G180 E184 R185 F186 L543 L544 L611 Q612 D616	P130-F182 HydrophobicContact CB-CZ 4.47Å; P130-F182 HydrophobicContact CG-CE1 4.05Å; P130-F182 HydrophobicContact CG-CE2 4.03Å; P130-F182 HydrophobicContact CG-CZ 3.71Å; G180-F182 PolarHBondContact O-N 3.48Å; F182-E184 PolarHBondContact O-N 3.28Å; F182-R185 PolarHBondContact O-N 2.87Å; F182-F186 HydrophobicContact CE1-CB 4.28Å; F182-F186 VanDerWaalsContact O-CB 3.26Å; F182-F186 WeakPolarHBondContact O-CB 3.34Å; F182-F186 PolarHBondContact O-N 2.8Å; F182-L543 HydrophobicContact CZ-CD1 4.48Å; F182-L544 HydrophobicContact CZ-CD2 4.38Å; F182-L611 HydrophobicContact CE2-CD2 4.25Å; F182-Q612 HydrophobicContact CB-CG 4.06Å; F182-Q612 HydrophobicContact CD2-CB 4.44Å; F182-Q612 HydrophobicContact CG-CB 4.36Å; F182-Q612 HydrophobicContact CG-CG 4.2Å; F182-D616 PolarHBondContact N-OD1 3.01Å
183	N	90	Very high	85.6	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-37.2	-176.9	-67.2	7	0	0	0	112	L159 M162 M164 G180 R181 F186 L187	L159-N183 WeakPolarHBondContact O-CB 3.12Å; L159-N183 PolarHBondContact O-ND2 2.69Å; M162-N183 PolarHBondContact O-ND2 3.38Å; M164-N183 PolarHBondContact SD-ND2 3.28Å; M164-N183 VanDerWaalsContact SD-ND2 3.4Å; G180-N183 WeakPolarHBondContact O-CB 3.04Å; G180-N183 PolarHBondContact O-N 3.13Å; R181-N183 VanDerWaalsContact C-N 3.32Å; R181-N183 PolarHBondContact O-N 2.92Å; N183-F186 PolarHBondContact O-N 2.73Å; N183-L187 WeakPolarHBondContact O-CB 3.28Å; N183-L187 PolarHBondContact O-N 3.21Å
184	E	87.9	Confident	86.1	Confident	37 Å²	37	35.2 Å²	35.2	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-47.4	173.8	-175.6	173.8	-178.3	0	0	111.7	C160 G180 R181 F182 F186 L187 L188 R810	C160-E184 HydrophobicContact CB-CB 4.33Å; G180-E184 PolarHBondContact O-N 3.4Å; R181-E184 PolarHBondContact O-N 2.91Å; F182-E184 PolarHBondContact O-N 3.28Å; E184-F186 VanDerWaalsContact C-N 3.32Å; E184-F186 PolarHBondContact O-N 3.28Å; E184-L187 PolarHBondContact O-N 2.88Å; E184-L188 HydrophobicContact CG-CD1 4.06Å; E184-L188 WeakPolarHBondContact O-CB 3.5Å; E184-L188 VanDerWaalsContact O-CG 3.29Å; E184-L188 WeakPolarHBondContact O-CG 3.29Å; E184-L188 PolarHBondContact O-N 3.31Å; E184-R810 IonicContact OE1-CZ 2.79Å; E184-R810 IonicContact OE1-NE 3.32Å; E184-R810 PolarHBondContact OE1-NE 3.17Å; E184-R810 IonicContact OE1-NH2 2.73Å; E184-R810 PolarHBondContact OE1-NH2 3.48Å; E184-R810 IonicContact OE2-CZ 3.5Å; E184-R810 IonicContact OE2-NE 3.42Å; E184-R810 IonicContact OE2-NH2 3.52Å; E184-R810 PolarHBondContact OE2-NH2 3.17Å
185	R	91.1	Very high	86.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-40.3	174.9	-175.6	170.8	170.8	-93.1	-0.6	111.8	R181 F182 L188 S189 D542 L543 Y584 E589	R181-R185 PolarHBondContact O-N 3.23Å; F182-R185 PolarHBondContact O-N 2.87Å; R185-L188 PolarHBondContact O-N 2.78Å; R185-S189 WeakPolarHBondContact O-CB 3.22Å; R185-S189 PolarHBondContact O-N 2.93Å; R185-D542 PolarHBondContact NH2-O 3.24Å; R185-L543 PolarHBondContact NH1-O 3.22Å; R185-L543 PolarHBondContact NH2-O 3.29Å; R185-Y584 HydrophobicContact CG-CD2 4.03Å; R185-E589 WeakPolarHBondContact CD-OE1 3.3Å; R185-E589 IonicContact CZ-OE1 3.66Å; R185-E589 IonicContact CZ-OE2 3.23Å; R185-E589 VanDerWaalsContact CZ-OE2 3.24Å; R185-E589 VanDerWaalsContact NE-CD 3.33Å; R185-E589 IonicContact NE-OE1 2.73Å; R185-E589 PolarHBondContact NE-OE1 3.2Å; R185-E589 IonicContact NE-OE2 2.85Å; R185-E589 PolarHBondContact NE-OE2 3.1Å; R185-E589 IonicContact NH2-OE2 3.12Å; R185-E589 PolarHBondContact NH2-OE2 2.95Å
186	F	91.2	Very high	87.5	Confident	9 Å²	9	31 Å²	31	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-51.7	175.2	175.8	-100.6	0	0	0	111.4	F125 L133 F148 F182 N183 E184 L188 S189 L190 W539 L543	F125-F186 HydrophobicContact CE2-CD1 4.1Å; F125-F186 AromaticContact CE2-CE1 3.53Å; F125-F186 HydrophobicContact CE2-CE1 3.53Å; F125-F186 HydrophobicContact CE2-CZ 4.13Å; F125-F186 AromaticContact CZ-CD1 3.88Å; F125-F186 HydrophobicContact CZ-CD1 3.88Å; F125-F186 AromaticContact CZ-CE1 3.8Å; F125-F186 HydrophobicContact CZ-CE1 3.8Å; L133-F186 HydrophobicContact CD1-CE2 4.17Å; F148-F186 HydrophobicContact CE1-CZ 4.12Å; F148-F186 HydrophobicContact CZ-CZ 4.23Å; F182-F186 HydrophobicContact CE1-CB 4.28Å; F182-F186 VanDerWaalsContact O-CB 3.26Å; F182-F186 WeakPolarHBondContact O-CB 3.34Å; F182-F186 PolarHBondContact O-N 2.8Å; N183-F186 PolarHBondContact O-N 2.73Å; E184-F186 VanDerWaalsContact C-N 3.32Å; E184-F186 PolarHBondContact O-N 3.28Å; F186-L188 PolarHBondContact O-N 3.01Å; F186-S189 WeakPolarHBondContact O-CB 3.47Å; F186-S189 PolarHBondContact O-N 3.32Å; F186-S189 VanDerWaalsContact O-N 3.08Å; F186-S189 PolarHBondContact O-OG 3.46Å; F186-L190 HydrophobicContact CD1-CD1 4.09Å; F186-L190 HydrophobicContact CE1-CD1 3.49Å; F186-L190 VanDerWaalsContact CE1-CD1 3.49Å; F186-L190 HydrophobicContact CE1-CG 4.14Å; F186-L190 HydrophobicContact CZ-CD1 3.84Å; F186-L190 HydrophobicContact CZ-CD2 4.2Å; F186-L190 HydrophobicContact CZ-CG 4.17Å; F186-L190 PolarHBondContact O-N 3.49Å; F186-W539 HydrophobicContact CD2-CZ2 4.44Å; F186-W539 HydrophobicContact CE2-CH2 4.04Å; F186-W539 AromaticContact CE2-CZ2 3.98Å; F186-W539 HydrophobicContact CE2-CZ2 3.98Å; F186-L543 HydrophobicContact CD2-CD2 3.77Å; F186-L543 HydrophobicContact CE2-CD2 4.16Å
187	L	88.8	Confident	88	Confident	8 Å²	8	25.8 Å²	25.8	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-40.5	179.8	-175.4	57.5	0	0	0	112.4	L156 L159 N183 E184 S189 L190 A191 L208 I807	L156-L187 HydrophobicContact CB-CD2 4.44Å; L159-L187 HydrophobicContact CB-CD2 4.42Å; L159-L187 HydrophobicContact CD1-CD1 4.1Å; L159-L187 HydrophobicContact CD1-CD2 4.32Å; N183-L187 WeakPolarHBondContact O-CB 3.28Å; N183-L187 PolarHBondContact O-N 3.21Å; E184-L187 PolarHBondContact O-N 2.88Å; L187-S189 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 3.31Å; L187-L190 PolarHBondContact O-N 2.96Å; L187-A191 PolarHBondContact O-N 3.47Å; L187-L208 HydrophobicContact CD1-CD2 4.47Å; L187-I807 HydrophobicContact CD1-CD1 4.27Å; L187-I807 HydrophobicContact CD2-CD1 3.56Å; L187-I807 HydrophobicContact CG-CD1 3.86Å
188	L	88.4	Confident	88.3	Confident	15 Å²	15	19.3 Å²	19.3	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-66.7	-29.3	174	-69.3	172	0	0	0	112.9	E184 R185 F186 Y584 I807 R809	E184-L188 HydrophobicContact CG-CD1 4.06Å; E184-L188 WeakPolarHBondContact O-CB 3.5Å; E184-L188 VanDerWaalsContact O-CG 3.29Å; E184-L188 WeakPolarHBondContact O-CG 3.29Å; E184-L188 PolarHBondContact O-N 3.31Å; R185-L188 PolarHBondContact O-N 2.78Å; F186-L188 PolarHBondContact O-N 3.01Å; L188-Y584 HydrophobicContact CB-CD1 3.67Å; L188-Y584 HydrophobicContact CB-CE1 4.41Å; L188-Y584 HydrophobicContact CB-CG 4.03Å; L188-Y584 WeakPolarHBondContact O-CE1 3.42Å; L188-I807 HydrophobicContact CD2-CG2 3.9Å; L188-R809 HydrophobicContact CD2-CG 4.48Å
189	S	89.8	Confident	88.5	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-75.6	-33.6	173.2	83.5	0	0	0	0	113.1	R185 F186 L187 A191 S192 N193 W539	R185-S189 WeakPolarHBondContact O-CB 3.22Å; R185-S189 PolarHBondContact O-N 2.93Å; F186-S189 WeakPolarHBondContact O-CB 3.47Å; F186-S189 PolarHBondContact O-N 3.32Å; F186-S189 VanDerWaalsContact O-N 3.08Å; F186-S189 PolarHBondContact O-OG 3.46Å; L187-S189 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 3.31Å; S189-A191 PolarHBondContact O-N 2.87Å; S189-S192 PolarHBondContact O-N 2.94Å; S189-S192 VanDerWaalsContact O-N 3.15Å; S189-S192 PolarHBondContact O-OG 2.91Å; S189-N193 PolarHBondContact O-N 3.45Å; S189-W539 PolarHBondContact O-NE1 3.18Å; S189-W539 PolarHBondContact OG-NE1 3.39Å
190	L	88	Confident	88.5	Confident	11 Å²	11	16 Å²	16	6%	0.058	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-35.8	172.4	-68.9	177.6	0	0	0	110.8	M26 V28 F186 L187 S192 N193 W539	M26-L190 HydrophobicContact SD-CD2 3.7Å; V28-L190 HydrophobicContact CG2-CD1 4.28Å; F186-L190 HydrophobicContact CD1-CD1 4.09Å; F186-L190 HydrophobicContact CE1-CD1 3.49Å; F186-L190 VanDerWaalsContact CE1-CD1 3.49Å; F186-L190 HydrophobicContact CE1-CG 4.14Å; F186-L190 HydrophobicContact CZ-CD1 3.84Å; F186-L190 HydrophobicContact CZ-CD2 4.2Å; F186-L190 HydrophobicContact CZ-CG 4.17Å; F186-L190 PolarHBondContact O-N 3.49Å; L187-L190 PolarHBondContact O-N 2.96Å; L190-S192 PolarHBondContact O-N 3.47Å; L190-N193 PolarHBondContact O-N 3.45Å; L190-W539 HydrophobicContact CD2-CH2 4.14Å; L190-W539 HydrophobicContact CD2-CZ2 3.52Å; L190-W539 HydrophobicContact CG-CZ2 4.36Å
191	A	84.7	Confident	88.4	Confident	28 Å²	28	17 Å²	17	23%	0.231	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12	175.8	0	0	0	0	0	114.9	L187 S189 L208	L187-A191 PolarHBondContact O-N 3.47Å; S189-A191 PolarHBondContact O-N 2.87Å; A191-L208 HydrophobicContact CB-CD1 3.78Å; A191-L208 HydrophobicContact CB-CD2 3.96Å; A191-L208 HydrophobicContact CB-CG 3.7Å
192	S	84.9	Confident	88.1	Confident	62 Å²	62	24.8 Å²	24.8	43%	0.434	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-12	174.2	63.5	0	0	0	0	113.7	S189 L190 P194 Y584	S189-S192 PolarHBondContact O-N 2.94Å; S189-S192 VanDerWaalsContact O-N 3.15Å; S189-S192 PolarHBondContact O-OG 2.91Å; L190-S192 PolarHBondContact O-N 3.47Å; S192-P194 WeakPolarHBondContact O-CD 3.49Å; S192-Y584 PolarHBondContact OG-OH 2.92Å
193	N	87	Confident	87.7	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.011	13%	0.132	C	C	.	.			trans	-78.4	118.2	-177	-176.3	-24.3	0	0	0	112.3	S189 L190 R195 C196 V212 W539	S189-N193 PolarHBondContact O-N 3.45Å; L190-N193 PolarHBondContact O-N 3.45Å; N193-R195 PolarHBondContact O-N 3.15Å; N193-R195 VanDerWaalsContact O-N 3.09Å; N193-R195 PolarHBondContact OD1-N 3.23Å; N193-C196 HydrophobicContact CB-CB 3.93Å; N193-C196 PolarHBondContact O-N 3.05Å; N193-V212 WeakPolarHBondContact O-CG2 3.36Å; N193-W539 HydrophobicContact CB-CB 4.47Å; N193-W539 HydrophobicContact CB-CG 4.03Å; N193-W539 VanDerWaalsContact ND2-CG 3.3Å
194	P	84.9	Confident	87.5	Confident	63 Å²	63	29 Å²	29	41%	0.409	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	4.3	-177.7	33	-37.7	0	0	0	114.9	S192 V212 P535	S192-P194 WeakPolarHBondContact O-CD 3.49Å; P194-V212 WeakPolarHBondContact O-CG1 3.34Å; P194-P535 HydrophobicContact CG-CB 4Å; P194-P535 HydrophobicContact CG-CG 4.48Å
195	R	87.9	Confident	87.3	Confident	21 Å²	21	28.7 Å²	28.7	8%	0.079	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	14.3	177.8	-64.4	-65.2	-66.8	179.8	6.9	113.4	M14 R24 S25 M26 N193 P535 I536	M14-R195 WeakPolarHBondContact CE-O 3.27Å; M14-R195 VanDerWaalsContact CG-NH1 3.31Å; M14-R195 VanDerWaalsContact O-CZ 3.27Å; M14-R195 PolarHBondContact O-NH1 2.93Å; M14-R195 PolarHBondContact O-NH2 2.9Å; R24-R195 PolarHBondContact O-NE 3.07Å; S25-R195 PolarHBondContact OG-NH2 3.39Å; M26-R195 PolarHBondContact N-O 3.47Å; M26-R195 VanDerWaalsContact N-O 3.08Å; N193-R195 PolarHBondContact O-N 3.15Å; N193-R195 VanDerWaalsContact O-N 3.09Å; N193-R195 PolarHBondContact OD1-N 3.23Å; R195-P535 HydrophobicContact CB-CG 4.29Å; R195-P535 HydrophobicContact CG-CB 4.49Å; R195-P535 HydrophobicContact CG-CG 3.37Å; R195-I536 HydrophobicContact CB-CD1 4.03Å; R195-I536 HydrophobicContact CB-CG1 3.91Å
196	C	90.9	Very high	86.9	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.027	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134	170.5	-172.6	0	0	0	0	110.9	M26 N193	M26-C196 CarbonylContact O-C 3.52Å; M26-C196 VanDerWaalsContact O-CA 3.3Å; M26-C196 WeakPolarHBondContact O-CA 3.42Å; N193-C196 HydrophobicContact CB-CB 3.93Å; N193-C196 PolarHBondContact O-N 3.05Å
197	L	90.4	Very high	86.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.6	165.5	-64.7	179.8	0	0	0	109.8	I11 M14 M26 F27 V28 L199 V205 V212 L213	I11-L197 HydrophobicContact CG1-CD1 4.17Å; M14-L197 HydrophobicContact CE-CD1 4.45Å; M14-L197 HydrophobicContact CE-CG 4.3Å; M14-L197 HydrophobicContact SD-CD1 3.74Å; M14-L197 HydrophobicContact SD-CD2 4.25Å; M14-L197 HydrophobicContact SD-CG 3.68Å; M26-L197 PolarHBondContact O-N 3.11Å; F27-L197 CarbonylContact C-O 3.36Å; F27-L197 WeakPolarHBondContact CA-O 3.4Å; F27-L197 HydrophobicContact CD1-CB 3.98Å; F27-L197 HydrophobicContact CD1-CD1 4.36Å; F27-L197 HydrophobicContact CD1-CG 4.45Å; F27-L197 HydrophobicContact CE1-CB 4.31Å; F27-L197 HydrophobicContact CE1-CD1 3.84Å; F27-L197 HydrophobicContact CE1-CG 4.31Å; V28-L197 PolarHBondContact N-O 3.39Å; L197-L199 HydrophobicContact CB-CD2 4.32Å; L197-L199 HydrophobicContact CB-CG 4.4Å; L197-V205 HydrophobicContact CD2-CG1 4.5Å; L197-V212 HydrophobicContact CD2-CB 4.24Å; L197-V212 HydrophobicContact CD2-CG1 3.99Å; L197-L213 HydrophobicContact CD2-CD2 4.08Å
198	V	89.4	Confident	85.4	Confident	6 Å²	6	30.2 Å²	30.2	4%	0.036	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.7	172.8	-167.9	0	0	0	0	108.5	V28 V30 L206 L208 S209	V28-V198 HydrophobicContact CB-CB 4.49Å; V28-V198 HydrophobicContact CB-CG1 4.17Å; V28-V198 HydrophobicContact CB-CG2 4.26Å; V28-V198 HydrophobicContact CG1-CG1 4.19Å; V30-V198 HydrophobicContact CG2-CG1 3.95Å; V198-L206 HydrophobicContact CB-CB 4.35Å; V198-L206 HydrophobicContact CG1-CB 4.45Å; V198-L206 HydrophobicContact CG1-CD1 3.74Å; V198-L206 HydrophobicContact CG1-CG 4.24Å; V198-L206 PolarHBondContact O-N 3.34Å; V198-L208 HydrophobicContact CG2-CD2 3.78Å; V198-S209 PolarHBondContact N-OG 3.17Å; V198-S209 VanDerWaalsContact N-OG 3.1Å; V198-S209 PolarHBondContact O-OG 3.16Å
199	L	88.7	Confident	84.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.1	-167.5	-57.6	177.5	0	0	0	110.4	I11 F27 V28 M29 V30 L197 W203 N204 V205	I11-L199 HydrophobicContact CD1-CD1 4.45Å; I11-L199 HydrophobicContact CD1-CD2 4.1Å; F27-L199 HydrophobicContact CB-CD1 4.36Å; F27-L199 HydrophobicContact CD2-CD1 3.93Å; F27-L199 HydrophobicContact CE2-CD1 4.44Å; F27-L199 HydrophobicContact CG-CD1 4.07Å; V28-L199 PolarHBondContact O-N 3.43Å; M29-L199 CarbonylContact C-O 3.51Å; M29-L199 WeakPolarHBondContact CA-O 3.33Å; M29-L199 HydrophobicContact CE-CB 3.95Å; M29-L199 HydrophobicContact SD-CB 3.77Å; M29-L199 HydrophobicContact SD-CD1 3.81Å; M29-L199 HydrophobicContact SD-CG 4.34Å; V30-L199 PolarHBondContact N-O 2.93Å; L197-L199 HydrophobicContact CB-CD2 4.32Å; L197-L199 HydrophobicContact CB-CG 4.4Å; L199-W203 HydrophobicContact CD1-CE3 3.94Å; L199-W203 HydrophobicContact CD1-CZ3 4.13Å; L199-N204 WeakPolarHBondContact CA-O 3.43Å; L199-V205 HydrophobicContact CD2-CB 4.15Å; L199-V205 HydrophobicContact CD2-CG1 4.22Å; L199-V205 HydrophobicContact CD2-CG2 3.65Å
200	D	86.9	Confident	83.7	Confident	28 Å²	28	35.2 Å²	35.2	15%	0.15	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	162.6	167.4	173.8	34.5	0	0	0	111.4	M29 R202 W203 N204 L206	M29-D200 WeakPolarHBondContact CE-O 3.47Å; D200-R202 PolarHBondContact O-N 3.01Å; D200-W203 PolarHBondContact O-N 2.97Å; D200-N204 HydrophobicContact CB-CB 3.94Å; D200-N204 PolarHBondContact N-O 3.41Å; D200-N204 PolarHBondContact OD2-ND2 3.26Å; D200-L206 HydrophobicContact CB-CD2 4.45Å
201	D	84.2	Confident	82.9	Confident	31 Å²	31	42.4 Å²	42.4	17%	0.166	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-28.8	171.4	-97.8	-11	0	0	0	112.9	V30 G31 N32 K33 G34	V30-D201 PolarHBondContact O-N 3.05Å; V30-D201 VanDerWaalsContact O-N 3.1Å; G31-D201 VanDerWaalsContact CA-CG 3.46Å; G31-D201 WeakPolarHBondContact CA-OD1 3.39Å; G31-D201 WeakPolarHBondContact CA-OD2 3.43Å; N32-D201 PolarHBondContact N-OD1 3.08Å; N32-D201 PolarHBondContact N-OD2 3.2Å; K33-D201 WeakPolarHBondContact CA-OD1 3.42Å; K33-D201 VanDerWaalsContact N-CG 3.26Å; K33-D201 PolarHBondContact N-OD1 3.29Å; K33-D201 PolarHBondContact N-OD2 3Å; G34-D201 PolarHBondContact N-OD1 3.23Å
202	R	83.3	Confident	82.2	Confident	186 Å²	186	41.5 Å²	41.5	70%	0.702	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	13.8	-178.4	-52.6	-178.5	-176.6	-162.2	2.7	114	D200 N204	D200-R202 PolarHBondContact O-N 3.01Å; R202-N204 PolarHBondContact O-N 3.31Å
203	W	83.8	Confident	81.5	Confident	30 Å²	30	39.7 Å²	39.7	11%	0.114	19%	0.19	C	C	.	.			trans	62.8	16.9	-174.7	-64.6	79.3	0	0	0	115.5	L7 I11 F27 Q37 I40 M41 I44 L199 D200 V205	L7-W203 HydrophobicContact CD1-CD2 3.62Å; L7-W203 HydrophobicContact CD1-CE3 3.51Å; L7-W203 HydrophobicContact CD1-CG 4.12Å; L7-W203 HydrophobicContact CD1-CH2 4.21Å; L7-W203 HydrophobicContact CD1-CZ2 4.36Å; L7-W203 HydrophobicContact CD1-CZ3 3.83Å; L7-W203 HydrophobicContact CG-CE3 4.49Å; I11-W203 HydrophobicContact CD1-CE3 3.88Å; I11-W203 HydrophobicContact CD1-CZ3 4.36Å; I11-W203 HydrophobicContact CG2-CZ3 4.2Å; F27-W203 HydrophobicContact CE2-CZ3 4.32Å; Q37-W203 HydrophobicContact CB-CZ2 4.37Å; I40-W203 HydrophobicContact CB-CZ2 4.13Å; I40-W203 HydrophobicContact CG2-CH2 4.48Å; I40-W203 HydrophobicContact CG2-CZ2 3.74Å; M41-W203 HydrophobicContact CB-CH2 4.36Å; M41-W203 HydrophobicContact CG-CH2 3.41Å; M41-W203 VanDerWaalsContact CG-CH2 3.41Å; M41-W203 HydrophobicContact CG-CZ2 3.73Å; M41-W203 HydrophobicContact CG-CZ3 4.43Å; I44-W203 HydrophobicContact CD1-CH2 3.98Å; L199-W203 HydrophobicContact CD1-CE3 3.94Å; L199-W203 HydrophobicContact CD1-CZ3 4.13Å; D200-W203 PolarHBondContact O-N 2.97Å; W203-V205 PolarHBondContact O-N 2.86Å
204	N	85.3	Confident	80.5	Confident	69 Å²	69	44.5 Å²	44.5	37%	0.369	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-69	128	170	-59.1	-54.8	0	0	0	109.6	L199 D200 R202 L803	L199-N204 WeakPolarHBondContact CA-O 3.43Å; D200-N204 HydrophobicContact CB-CB 3.94Å; D200-N204 PolarHBondContact N-O 3.41Å; D200-N204 PolarHBondContact OD2-ND2 3.26Å; R202-N204 PolarHBondContact O-N 3.31Å; N204-L803 HydrophobicContact CB-CD2 4.08Å
205	V	84.5	Confident	79.8	Confident	30 Å²	30	44.9 Å²	44.9	18%	0.182	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-81	122.9	177.1	-168.4	0	0	0	0	110.4	I11 L197 L199 W203 S209 L213	I11-V205 HydrophobicContact CD1-CG2 4.37Å; L197-V205 HydrophobicContact CD2-CG1 4.5Å; L199-V205 HydrophobicContact CD2-CB 4.15Å; L199-V205 HydrophobicContact CD2-CG1 4.22Å; L199-V205 HydrophobicContact CD2-CG2 3.65Å; W203-V205 PolarHBondContact O-N 2.86Å; V205-S209 WeakPolarHBondContact CG1-OG 3.41Å; V205-L213 HydrophobicContact CB-CD1 4.1Å; V205-L213 HydrophobicContact CG1-CD1 3.87Å; V205-L213 HydrophobicContact CG1-CD2 4.45Å; V205-L213 HydrophobicContact CG1-CG 4.31Å; V205-L213 HydrophobicContact CG2-CD1 4.41Å
206	L	82.6	Confident	79	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-73.2	154.5	-177.4	-59.8	-167.4	0	0	0	112.4	V30 L156 V198 D200 L208 S209 L802 L803	V30-L206 HydrophobicContact CG2-CD1 4.45Å; L156-L206 HydrophobicContact CD1-CD1 4.04Å; L156-L206 HydrophobicContact CD2-CD1 4.37Å; L156-L206 HydrophobicContact CG-CD1 4.44Å; V198-L206 HydrophobicContact CB-CB 4.35Å; V198-L206 HydrophobicContact CG1-CB 4.45Å; V198-L206 HydrophobicContact CG1-CD1 3.74Å; V198-L206 HydrophobicContact CG1-CG 4.24Å; V198-L206 PolarHBondContact O-N 3.34Å; D200-L206 HydrophobicContact CB-CD2 4.45Å; L206-L208 PolarHBondContact O-N 2.93Å; L206-S209 PolarHBondContact O-N 3.07Å; L206-S209 PolarHBondContact O-OG 3.31Å; L206-S209 VanDerWaalsContact O-OG 3.1Å; L206-L802 HydrophobicContact CD2-CB 4.35Å; L206-L803 HydrophobicContact CD2-CD2 3.81Å
207	P	76.4	Confident	77.9	Confident	22 Å²	22	50.2 Å²	50.2	14%	0.143	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-52.6	-32.6	-175.6	-29.3	36	0	0	0	115.2	S209 Q210 L803	P207-S209 PolarHBondContact O-N 3.14Å; P207-S209 VanDerWaalsContact O-N 3.12Å; P207-Q210 WeakPolarHBondContact O-CB 3.35Å; P207-Q210 WeakPolarHBondContact O-CG 3.45Å; P207-Q210 PolarHBondContact O-N 2.88Å; P207-L803 VanDerWaalsContact CG-O 3.24Å; P207-L803 WeakPolarHBondContact CG-O 3.29Å
208	L	72.6	Confident	76.5	Confident	26 Å²	26	54.1 Å²	54.1	14%	0.136	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-48.1	-40.6	175.8	-152	84.3	0	0	0	112.5	L187 A191 V198 L206 I807	L187-L208 HydrophobicContact CD1-CD2 4.47Å; A191-L208 HydrophobicContact CB-CD1 3.78Å; A191-L208 HydrophobicContact CB-CD2 3.96Å; A191-L208 HydrophobicContact CB-CG 3.7Å; V198-L208 HydrophobicContact CG2-CD2 3.78Å; L206-L208 PolarHBondContact O-N 2.93Å; L208-I807 HydrophobicContact CD1-CB 4.04Å; L208-I807 HydrophobicContact CD1-CD1 3.84Å; L208-I807 HydrophobicContact CD1-CG1 4.01Å
209	S	74.5	Confident	75.2	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.021	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-86.6	-2.9	-175.1	-6.9	0	0	0	0	114.2	V198 V205 L206 P207 K211 V212 L213	V198-S209 PolarHBondContact N-OG 3.17Å; V198-S209 VanDerWaalsContact N-OG 3.1Å; V198-S209 PolarHBondContact O-OG 3.16Å; V205-S209 WeakPolarHBondContact CG1-OG 3.41Å; L206-S209 PolarHBondContact O-N 3.07Å; L206-S209 PolarHBondContact O-OG 3.31Å; L206-S209 VanDerWaalsContact O-OG 3.1Å; P207-S209 PolarHBondContact O-N 3.14Å; P207-S209 VanDerWaalsContact O-N 3.12Å; S209-K211 VanDerWaalsContact C-N 3.26Å; S209-K211 PolarHBondContact O-N 3.1Å; S209-V212 WeakPolarHBondContact O-CA 3.35Å; S209-V212 WeakPolarHBondContact O-CB 3.16Å; S209-V212 PolarHBondContact O-N 2.84Å; S209-L213 PolarHBondContact O-N 3.1Å
210	Q	67.3	Low	73.7	Confident	118 Å²	118	64.2 Å²	64.2	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-34.4	-175.5	-73.6	175.7	3.6	0	0	113	P207 V212 L213 S214	P207-Q210 WeakPolarHBondContact O-CB 3.35Å; P207-Q210 WeakPolarHBondContact O-CG 3.45Å; P207-Q210 PolarHBondContact O-N 2.88Å; Q210-V212 VanDerWaalsContact C-N 3.31Å; Q210-V212 PolarHBondContact O-N 3.38Å; Q210-L213 PolarHBondContact O-N 2.88Å; Q210-S214 PolarHBondContact O-N 3.21Å; Q210-S214 PolarHBondContact O-OG 2.93Å
211	K	70.1	Confident	72.1	Confident	161 Å²	161	66.3 Å²	66.3	70%	0.7	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-36.9	173.7	-65.4	176.9	-176.9	169.9	0	112.5	S209 S214 S215	S209-K211 VanDerWaalsContact C-N 3.26Å; S209-K211 PolarHBondContact O-N 3.1Å; K211-S214 WeakPolarHBondContact CA-OG 3.34Å; K211-S214 PolarHBondContact O-OG 2.86Å; K211-S215 PolarHBondContact O-N 3.33Å
212	V	71.1	Confident	70.5	Confident	10 Å²	10	71.4 Å²	71.4	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-67.1	-50.4	174.5	-176.1	0	0	0	0	108.9	N193 P194 L197 S209 Q210 S214 S215 L216	N193-V212 WeakPolarHBondContact O-CG2 3.36Å; P194-V212 WeakPolarHBondContact O-CG1 3.34Å; L197-V212 HydrophobicContact CD2-CB 4.24Å; L197-V212 HydrophobicContact CD2-CG1 3.99Å; S209-V212 WeakPolarHBondContact O-CA 3.35Å; S209-V212 WeakPolarHBondContact O-CB 3.16Å; S209-V212 PolarHBondContact O-N 2.84Å; Q210-V212 VanDerWaalsContact C-N 3.31Å; Q210-V212 PolarHBondContact O-N 3.38Å; V212-S214 VanDerWaalsContact C-N 3.28Å; V212-S214 PolarHBondContact O-N 2.93Å; V212-S215 PolarHBondContact O-N 3.29Å; V212-S215 PolarHBondContact O-OG 3Å; V212-L216 HydrophobicContact CG1-CD1 4.31Å; V212-L216 HydrophobicContact CG1-CG 4.49Å; V212-L216 WeakPolarHBondContact O-CG 3.35Å; V212-L216 PolarHBondContact O-N 3.12Å
213	L	70	Confident	69	Low	24 Å²	24	69 Å²	69	13%	0.126	39%	0.385	C	S	.	.	H	α-helix	trans	-56	-38.1	177.7	-62.9	-179.5	0	0	0	113.4	R10 L197 V205 S209 Q210 S215 L216	R10-L213 HydrophobicContact CB-CD2 4.07Å; L197-L213 HydrophobicContact CD2-CD2 4.08Å; V205-L213 HydrophobicContact CB-CD1 4.1Å; V205-L213 HydrophobicContact CG1-CD1 3.87Å; V205-L213 HydrophobicContact CG1-CD2 4.45Å; V205-L213 HydrophobicContact CG1-CG 4.31Å; V205-L213 HydrophobicContact CG2-CD1 4.41Å; S209-L213 PolarHBondContact O-N 3.1Å; Q210-L213 PolarHBondContact O-N 2.88Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.14Å; L213-L216 HydrophobicContact CD2-CD1 4.42Å; L213-L216 PolarHBondContact O-N 3.36Å
214	S	66.7	Low	67.3	Low	103 Å²	103	70.2 Å²	70.2	72%	0.72	40%	0.398	S	S	*	.	H	α-helix	trans	-72	-18.9	176	54.7	0	0	0	0	114.4	Q210 K211 V212	Q210-S214 PolarHBondContact O-N 3.21Å; Q210-S214 PolarHBondContact O-OG 2.93Å; K211-S214 WeakPolarHBondContact CA-OG 3.34Å; K211-S214 PolarHBondContact O-OG 2.86Å; V212-S214 VanDerWaalsContact C-N 3.28Å; V212-S214 PolarHBondContact O-N 2.93Å
215	S	70.4	Confident	65.7	Low	71 Å²	71	70.4 Å²	70.4	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-90.9	-10.7	176.9	73	0	0	0	0	114.1	K211 V212 L213 T217	K211-S215 PolarHBondContact O-N 3.33Å; V212-S215 PolarHBondContact O-N 3.29Å; V212-S215 PolarHBondContact O-OG 3Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.14Å; S215-T217 PolarHBondContact O-N 2.95Å
216	L	70.9	Confident	64.2	Low	29 Å²	29	77 Å²	77	15%	0.152	43%	0.428	C	S	.	.			trans	-83.6	76.1	-173.7	-74.4	173	0	0	0	112.9	M14 V212 L213	M14-L216 HydrophobicContact CB-CD1 3.91Å; M14-L216 HydrophobicContact CB-CD2 4.13Å; M14-L216 HydrophobicContact CG-CD1 4.14Å; M14-L216 HydrophobicContact CG-CD2 3.93Å; M14-L216 HydrophobicContact SD-CD1 4.33Å; V212-L216 HydrophobicContact CG1-CD1 4.31Å; V212-L216 HydrophobicContact CG1-CG 4.49Å; V212-L216 WeakPolarHBondContact O-CG 3.35Å; V212-L216 PolarHBondContact O-N 3.12Å; L213-L216 HydrophobicContact CD2-CD1 4.42Å; L213-L216 PolarHBondContact O-N 3.36Å
217	T	66.6	Low	62.9	Low	107 Å²	107	80.6 Å²	80.6	66%	0.656	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-70.5	143.6	160.9	-44.8	0	0	0	0	110.4	N17 S215 L219	N17-T217 PolarHBondContact ND2-O 3.24Å; S215-T217 PolarHBondContact O-N 2.95Å; T217-L219 PolarHBondContact O-N 2.91Å
218	S	62.1	Low	62	Low	82 Å²	82	82.3 Å²	82.3	57%	0.573	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-69.7	122.5	167.6	52.3	0	0	0	0	110
219	L	61.9	Low	61.7	Low	65 Å²	65	84.8 Å²	84.8	34%	0.34	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-77.8	128.9	178.3	-66.6	168.1	0	0	0	110.4	N17 T217	N17-L219 HydrophobicContact CB-CD1 4.11Å; N17-L219 PolarHBondContact OD1-N 3.22Å; T217-L219 PolarHBondContact O-N 2.91Å
220	Q	56.3	Low	61.7	Low	153 Å²	153	89.6 Å²	89.6	72%	0.715	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-70.6	155.1	154	-71.1	175.3	-30.1	0	0	108.4	D222	Q220-D222 PolarHBondContact O-N 3.21Å
221	A	53.3	Low	61.9	Low	72 Å²	72	87.8 Å²	87.8	60%	0.595	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.8	-162.7	0	0	0	0	0	114.2
222	D	51.8	Low	62.2	Low	139 Å²	139	84 Å²	84	74%	0.743	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	8	-147.4	-43	-75.7	0	0	0	114.6	Q220	Q220-D222 PolarHBondContact O-N 3.21Å
223	I	50.8	Low	62.6	Low	135 Å²	135	88.6 Å²	88.6	69%	0.692	49%	0.494	S	S	*	.	S	Bend	trans	-138.2	46.7	-161.8	-30.7	178.5	0	0	0	114.7
224	S	48.2	Very low	63.2	Low	55 Å²	55	91.6 Å²	91.6	39%	0.385	51%	0.507	S	S	.	.	S	Bend	trans	-152.1	12.3	169.3	56.1	0	0	0	0	118.8	R21	R21-S224 PolarHBondContact NE-OG 3.15Å; R21-S224 PolarHBondContact NH2-OG 3.2Å; R21-S224 VanDerWaalsContact NH2-OG 3.14Å
225	D	52.5	Low	63.9	Low	73 Å²	73	87.3 Å²	87.3	39%	0.39	48%	0.476	S	S	.	.			trans	-117.1	12.8	-156	-66.7	19.3	0	0	0	114.9	S227 I228 L229	D225-S227 PolarHBondContact O-N 3.06Å; D225-I228 PolarHBondContact O-N 3.46Å; D225-L229 HydrophobicContact CB-CD1 4.1Å; D225-L229 HydrophobicContact CB-CG 4.28Å; D225-L229 VanDerWaalsContact O-CB 3.32Å; D225-L229 WeakPolarHBondContact O-CB 3.39Å; D225-L229 VanDerWaalsContact O-CG 3.31Å; D225-L229 WeakPolarHBondContact O-CG 3.15Å; D225-L229 PolarHBondContact O-N 3.03Å
226	E	52.7	Low	64.6	Low	169 Å²	169	89.7 Å²	89.7	79%	0.79	48%	0.479	S	S	*	.	H	α-helix	trans	-56.3	-43.8	-172.4	-69	-164.4	139.1	0	0	114.7	L230	E226-L230 WeakPolarHBondContact O-CG 3.36Å; E226-L230 PolarHBondContact O-N 2.86Å
227	S	54.9	Low	65.2	Low	75 Å²	75	94.6 Å²	94.6	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-69.5	-46.6	178.2	50.1	0	0	0	0	112.4	D225 L229 L230 E231	D225-S227 PolarHBondContact O-N 3.06Å; S227-L229 PolarHBondContact O-N 3.09Å; S227-L230 WeakPolarHBondContact O-CB 3.31Å; S227-L230 PolarHBondContact O-N 2.85Å; S227-E231 PolarHBondContact O-N 3.48Å
228	I	58.2	Low	65.8	Low	58 Å²	58	91.9 Å²	91.9	30%	0.297	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-38.6	178.2	-61	173.6	0	0	0	110.2	D225 L230 Q232	D225-I228 PolarHBondContact O-N 3.46Å; I228-L230 VanDerWaalsContact C-N 3.35Å; I228-Q232 WeakPolarHBondContact O-CB 3.31Å; I228-Q232 VanDerWaalsContact O-CG 3.25Å; I228-Q232 WeakPolarHBondContact O-CG 3.45Å; I228-Q232 PolarHBondContact O-N 3.11Å; I228-Q232 VanDerWaalsContact O-N 3.14Å
229	L	66	Low	66.9	Low	78 Å²	78	91 Å²	91	41%	0.408	47%	0.467	S	S	.	.	H	α-helix	trans	-69.3	-26.4	175	-76.6	168	0	0	0	113.5	D225 S227 K233	D225-L229 HydrophobicContact CB-CD1 4.1Å; D225-L229 HydrophobicContact CB-CG 4.28Å; D225-L229 VanDerWaalsContact O-CB 3.32Å; D225-L229 WeakPolarHBondContact O-CB 3.39Å; D225-L229 VanDerWaalsContact O-CG 3.31Å; D225-L229 WeakPolarHBondContact O-CG 3.15Å; D225-L229 PolarHBondContact O-N 3.03Å; S227-L229 PolarHBondContact O-N 3.09Å; L229-K233 VanDerWaalsContact O-CB 3.28Å; L229-K233 WeakPolarHBondContact O-CB 3.41Å; L229-K233 WeakPolarHBondContact O-CD 3.14Å; L229-K233 WeakPolarHBondContact O-CE 3.4Å; L229-K233 WeakPolarHBondContact O-CG 3.28Å; L229-K233 PolarHBondContact O-N 3.05Å; L229-K233 VanDerWaalsContact O-N 3.14Å
230	L	74.2	Confident	67.9	Low	104 Å²	104	91.6 Å²	91.6	55%	0.545	47%	0.473	S	S	.	.	H	α-helix	trans	-71.8	-54.9	175.5	-75.4	165.4	0	0	0	110.7	E226 S227 I228 Q232 K233 E234	E226-L230 WeakPolarHBondContact O-CG 3.36Å; E226-L230 PolarHBondContact O-N 2.86Å; S227-L230 WeakPolarHBondContact O-CB 3.31Å; S227-L230 PolarHBondContact O-N 2.85Å; I228-L230 VanDerWaalsContact C-N 3.35Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.47Å; L230-K233 PolarHBondContact O-N 3.18Å; L230-K233 VanDerWaalsContact O-N 3.07Å; L230-E234 PolarHBondContact O-N 3.02Å
231	E	70.5	Confident	69.1	Low	81 Å²	81	87 Å²	87	38%	0.379	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-40.4	-179.6	-66.9	170.6	175.4	0	0	111.5	S227 E234 L235	S227-E231 PolarHBondContact O-N 3.48Å; E231-E234 PolarHBondContact O-N 3.34Å; E231-L235 WeakPolarHBondContact O-CB 3.36Å; E231-L235 PolarHBondContact O-N 3.03Å
232	Q	76.6	Confident	70	Confident	82 Å²	82	83.9 Å²	83.9	38%	0.383	43%	0.431	S	S	.	.	H	α-helix	trans	-68.8	-36	175.1	-70.6	177.7	15.7	0	0	113.3	I228 L230 E234 Q236	I228-Q232 WeakPolarHBondContact O-CB 3.31Å; I228-Q232 VanDerWaalsContact O-CG 3.25Å; I228-Q232 WeakPolarHBondContact O-CG 3.45Å; I228-Q232 PolarHBondContact O-N 3.11Å; I228-Q232 VanDerWaalsContact O-N 3.14Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.47Å; Q232-E234 VanDerWaalsContact C-N 3.34Å; Q232-Q236 WeakPolarHBondContact O-CB 3.47Å; Q232-Q236 VanDerWaalsContact O-CG 3.26Å; Q232-Q236 WeakPolarHBondContact O-CG 3.48Å; Q232-Q236 PolarHBondContact O-N 3.49Å
233	K	80.1	Confident	71.2	Confident	105 Å²	105	80.4 Å²	80.4	46%	0.457	42%	0.421	S	S	.	.	H	α-helix	trans	-66.4	-36.5	172.8	-77	164.6	-164.3	167	0	111.4	L229 L230 Q236 K237	L229-K233 VanDerWaalsContact O-CB 3.28Å; L229-K233 WeakPolarHBondContact O-CB 3.41Å; L229-K233 WeakPolarHBondContact O-CD 3.14Å; L229-K233 WeakPolarHBondContact O-CE 3.4Å; L229-K233 WeakPolarHBondContact O-CG 3.28Å; L229-K233 PolarHBondContact O-N 3.05Å; L229-K233 VanDerWaalsContact O-N 3.14Å; L230-K233 PolarHBondContact O-N 3.18Å; L230-K233 VanDerWaalsContact O-N 3.07Å; K233-Q236 PolarHBondContact O-N 2.97Å; K233-K237 VanDerWaalsContact O-CG 3.27Å; K233-K237 WeakPolarHBondContact O-CG 3.42Å; K233-K237 PolarHBondContact O-N 3.22Å
234	E	82	Confident	72.3	Confident	88 Å²	88	81 Å²	81	41%	0.411	42%	0.421	S	S	.	.	H	α-helix	trans	-71.1	-40.3	176.2	-67.4	-169.3	170	0	0	112.3	L230 E231 Q232 Q236 K237 L238 F259	L230-E234 PolarHBondContact O-N 3.02Å; E231-E234 PolarHBondContact O-N 3.34Å; Q232-E234 VanDerWaalsContact C-N 3.34Å; E234-Q236 VanDerWaalsContact C-N 3.33Å; E234-Q236 PolarHBondContact O-N 2.99Å; E234-K237 PolarHBondContact O-N 3.42Å; E234-L238 PolarHBondContact O-N 3.43Å; E234-F259 HydrophobicContact CB-CD2 3.91Å; E234-F259 HydrophobicContact CB-CE2 3.68Å; E234-F259 HydrophobicContact CB-CZ 4.42Å
235	L	83	Confident	73.1	Confident	12 Å²	12	82.1 Å²	82.1	6%	0.063	42%	0.422	C	S	.	.	H	α-helix	trans	-60.9	-40.8	170.6	179.4	63.2	0	0	0	111.9	E231 L238 K239 I257 F259 A262	E231-L235 WeakPolarHBondContact O-CB 3.36Å; E231-L235 PolarHBondContact O-N 3.03Å; L235-L238 PolarHBondContact O-N 2.85Å; L235-K239 HydrophobicContact CD1-CG 4.4Å; L235-K239 HydrophobicContact CG-CD 4.39Å; L235-K239 WeakPolarHBondContact O-CB 3.45Å; L235-K239 WeakPolarHBondContact O-CG 3.22Å; L235-K239 PolarHBondContact O-N 3.03Å; L235-I257 WeakPolarHBondContact CD2-O 3.45Å; L235-F259 HydrophobicContact CB-CD2 4.35Å; L235-A262 HydrophobicContact CD1-CB 3.74Å
236	Q	83.5	Confident	74	Confident	121 Å²	121	81.3 Å²	81.3	57%	0.565	43%	0.431	S	S	*	.	H	α-helix	trans	-64.5	-45.5	175.2	-76.1	173.8	8.4	0	0	112	Q232 K233 E234 L238 K239 V240	Q232-Q236 WeakPolarHBondContact O-CB 3.47Å; Q232-Q236 VanDerWaalsContact O-CG 3.26Å; Q232-Q236 WeakPolarHBondContact O-CG 3.48Å; Q232-Q236 PolarHBondContact O-N 3.49Å; K233-Q236 PolarHBondContact O-N 2.97Å; E234-Q236 VanDerWaalsContact C-N 3.33Å; E234-Q236 PolarHBondContact O-N 2.99Å; Q236-L238 PolarHBondContact O-N 2.92Å; Q236-K239 PolarHBondContact O-N 2.89Å; Q236-V240 WeakPolarHBondContact O-CG2 3.36Å; Q236-V240 PolarHBondContact O-N 3.47Å
237	K	84.8	Confident	74.8	Confident	132 Å²	132	73.5 Å²	73.5	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-55.2	-49.5	173.8	-72.9	166.8	-174.5	173.1	0	111.4	K233 E234 K239 V240 S241	K233-K237 VanDerWaalsContact O-CG 3.27Å; K233-K237 WeakPolarHBondContact O-CG 3.42Å; K233-K237 PolarHBondContact O-N 3.22Å; E234-K237 PolarHBondContact O-N 3.42Å; K237-K239 PolarHBondContact O-N 3.45Å; K237-V240 PolarHBondContact O-N 3.14Å; K237-S241 PolarHBondContact O-N 3.18Å; K237-S241 PolarHBondContact O-OG 3.49Å; K237-S241 VanDerWaalsContact O-OG 3.12Å
238	L	79.5	Confident	75.7	Confident	51 Å²	51	71.5 Å²	71.5	27%	0.267	38%	0.381	S	S	.	.	H	α-helix	trans	-59.3	-47.8	176.5	-72.7	-175.2	0	0	0	111.8	E234 L235 Q236 V240 S241 L242 F259	E234-L238 PolarHBondContact O-N 3.43Å; L235-L238 PolarHBondContact O-N 2.85Å; Q236-L238 PolarHBondContact O-N 2.92Å; L238-V240 VanDerWaalsContact C-N 3.26Å; L238-V240 PolarHBondContact O-N 3.37Å; L238-S241 PolarHBondContact O-N 2.67Å; L238-L242 HydrophobicContact CB-CD1 4.24Å; L238-L242 VanDerWaalsContact O-CB 3.27Å; L238-L242 WeakPolarHBondContact O-CB 3.44Å; L238-L242 VanDerWaalsContact O-CD1 3.3Å; L238-L242 WeakPolarHBondContact O-CD1 3.33Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 3.42Å; L238-F259 HydrophobicContact CD1-CD2 4.03Å; L238-F259 HydrophobicContact CD1-CE2 3.42Å; L238-F259 VanDerWaalsContact CD1-CE2 3.42Å; L238-F259 HydrophobicContact CD1-CZ 4.17Å; L238-F259 HydrophobicContact CG-CE2 4.15Å
239	K	83.5	Confident	76.8	Confident	64 Å²	64	69 Å²	69	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-32.5	179.2	-75.4	-175.7	-172.5	-161.1	0	113.3	L235 Q236 K237 A243 I253 K254 C256	L235-K239 HydrophobicContact CD1-CG 4.4Å; L235-K239 HydrophobicContact CG-CD 4.39Å; L235-K239 WeakPolarHBondContact O-CB 3.45Å; L235-K239 WeakPolarHBondContact O-CG 3.22Å; L235-K239 PolarHBondContact O-N 3.03Å; Q236-K239 PolarHBondContact O-N 2.89Å; K237-K239 PolarHBondContact O-N 3.45Å; K239-A243 WeakPolarHBondContact O-CB 3.46Å; K239-A243 PolarHBondContact O-N 2.99Å; K239-I253 WeakPolarHBondContact CE-O 3.23Å; K239-I253 HydrophobicContact CG-CG2 4.37Å; K239-K254 PolarHBondContact NZ-O 2.85Å; K239-C256 WeakPolarHBondContact CE-O 3.43Å; K239-C256 PolarHBondContact NZ-O 3.03Å
240	V	83.4	Confident	77.6	Confident	77 Å²	77	66.3 Å²	66.3	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-71.6	-57.5	174	171.4	0	0	0	0	110.3	Q236 K237 L238 L242 A243 E244	Q236-V240 WeakPolarHBondContact O-CG2 3.36Å; Q236-V240 PolarHBondContact O-N 3.47Å; K237-V240 PolarHBondContact O-N 3.14Å; L238-V240 VanDerWaalsContact C-N 3.26Å; L238-V240 PolarHBondContact O-N 3.37Å; V240-L242 VanDerWaalsContact C-N 3.27Å; V240-L242 PolarHBondContact O-N 3.48Å; V240-A243 WeakPolarHBondContact O-CB 3.29Å; V240-A243 PolarHBondContact O-N 3.43Å; V240-E244 HydrophobicContact CG1-CG 4.32Å; V240-E244 WeakPolarHBondContact CG1-OE1 3.35Å; V240-E244 WeakPolarHBondContact O-CG 3.39Å; V240-E244 PolarHBondContact O-N 2.82Å
241	S	81.1	Confident	78.2	Confident	56 Å²	56	63.4 Å²	63.4	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-56.5	-39.6	-177.7	-55.1	0	0	0	0	113	K237 L238 A243 E244 D245	K237-S241 PolarHBondContact O-N 3.18Å; K237-S241 PolarHBondContact O-OG 3.49Å; K237-S241 VanDerWaalsContact O-OG 3.12Å; L238-S241 PolarHBondContact O-N 2.67Å; S241-A243 VanDerWaalsContact C-N 3.31Å; S241-A243 PolarHBondContact O-N 3.24Å; S241-E244 PolarHBondContact O-N 3.22Å; S241-D245 WeakPolarHBondContact O-CB 3.32Å; S241-D245 PolarHBondContact O-N 3.32Å
242	L	73.4	Confident	79	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-73.8	-21	-179.1	-67.2	165.6	0	0	0	113.9	L238 V240 S247 A250 I253 L299	L238-L242 HydrophobicContact CB-CD1 4.24Å; L238-L242 VanDerWaalsContact O-CB 3.27Å; L238-L242 WeakPolarHBondContact O-CB 3.44Å; L238-L242 VanDerWaalsContact O-CD1 3.3Å; L238-L242 WeakPolarHBondContact O-CD1 3.33Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 3.42Å; V240-L242 VanDerWaalsContact C-N 3.27Å; V240-L242 PolarHBondContact O-N 3.48Å; L242-S247 PolarHBondContact O-OG 2.98Å; L242-A250 WeakPolarHBondContact O-CB 3.38Å; L242-I253 HydrophobicContact CD1-CB 4.39Å; L242-I253 HydrophobicContact CD1-CD1 3.64Å; L242-I253 HydrophobicContact CD1-CG2 3.78Å; L242-L299 HydrophobicContact CD2-CD1 4.47Å; L242-L299 HydrophobicContact CD2-CD2 3.39Å
243	A	75.6	Confident	79.4	Confident	65 Å²	65	55.7 Å²	55.7	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-84.2	-35.7	171.4	0	0	0	0	0	111.5	K239 V240 S241 G246	K239-A243 WeakPolarHBondContact O-CB 3.46Å; K239-A243 PolarHBondContact O-N 2.99Å; V240-A243 WeakPolarHBondContact O-CB 3.29Å; V240-A243 PolarHBondContact O-N 3.43Å; S241-A243 VanDerWaalsContact C-N 3.31Å; S241-A243 PolarHBondContact O-N 3.24Å; A243-G246 PolarHBondContact O-N 2.79Å
244	E	74.3	Confident	79.7	Confident	149 Å²	149	58.6 Å²	58.6	70%	0.696	32%	0.32	S	S	*	.	H	α-helix	trans	-64.9	-40.5	171.6	-68.8	171	165.6	0	0	111.7	V240 S241 G246	V240-E244 HydrophobicContact CG1-CG 4.32Å; V240-E244 WeakPolarHBondContact CG1-OE1 3.35Å; V240-E244 WeakPolarHBondContact O-CG 3.39Å; V240-E244 PolarHBondContact O-N 2.82Å; S241-E244 PolarHBondContact O-N 3.22Å; E244-G246 PolarHBondContact O-N 2.92Å; E244-G246 VanDerWaalsContact O-N 3.08Å
245	D	66.3	Low	80	Confident	77 Å²	77	57.7 Å²	57.7	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-7.7	173.1	-84.6	-13.9	0	0	0	113.8	S241 S247	S241-D245 WeakPolarHBondContact O-CB 3.32Å; S241-D245 PolarHBondContact O-N 3.32Å; D245-S247 PolarHBondContact O-N 3.24Å; D245-S247 VanDerWaalsContact O-N 3.12Å
246	G	69.9	Low	80.2	Confident	56 Å²	56	57.1 Å²	57.1	58%	0.577	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	21.1	-179	0	0	0	0	0	114.3	A243 E244	A243-G246 PolarHBondContact O-N 2.79Å; E244-G246 PolarHBondContact O-N 2.92Å; E244-G246 VanDerWaalsContact O-N 3.08Å
247	S	70.5	Confident	80.3	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.035	32%	0.315	C	S	.	.			trans	-71.1	143.2	-164.5	70.8	0	0	0	0	113.3	L242 D245 F249 A250	L242-S247 PolarHBondContact O-OG 2.98Å; D245-S247 PolarHBondContact O-N 3.24Å; D245-S247 VanDerWaalsContact O-N 3.12Å; S247-F249 PolarHBondContact O-N 3.47Å; S247-F249 VanDerWaalsContact O-N 3.1Å; S247-A250 VanDerWaalsContact O-CB 3.28Å; S247-A250 WeakPolarHBondContact O-CB 3.43Å; S247-A250 PolarHBondContact O-N 3.38Å
248	P	74	Confident	80.4	Confident	33 Å²	33	50.4 Å²	50.4	21%	0.214	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.6	-175	23.9	-34.3	0	0	0	113.1	P251 F370	P248-P251 WeakPolarHBondContact O-CD 3.35Å; P248-F370 WeakPolarHBondContact O-CE1 3.13Å
249	F	81.4	Confident	80.7	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.3	-179.5	-50.7	-64.1	0	0	0	114.2	S247 P251 L252 I253 C269 A296 L299 A337 T341	S247-F249 PolarHBondContact O-N 3.47Å; S247-F249 VanDerWaalsContact O-N 3.1Å; F249-P251 VanDerWaalsContact C-N 3.32Å; F249-L252 PolarHBondContact O-N 2.95Å; F249-L252 VanDerWaalsContact O-N 3.07Å; F249-I253 PolarHBondContact O-N 3.15Å; F249-C269 HydrophobicContact CD2-CB 3.96Å; F249-C269 HydrophobicContact CE2-CB 3.92Å; F249-C269 HydrophobicContact CG-CB 4.45Å; F249-C269 VanDerWaalsContact CG-SG 3.57Å; F249-C269 HydrophobicContact CZ-CB 4.38Å; F249-A296 HydrophobicContact CE2-CB 3.94Å; F249-L299 HydrophobicContact CD2-CD1 4.05Å; F249-A337 HydrophobicContact CD1-CB 4.03Å; F249-A337 HydrophobicContact CE1-CB 4Å; F249-T341 HydrophobicContact CE1-CG2 4.18Å; F249-T341 HydrophobicContact CZ-CG2 3.89Å
250	A	82	Confident	80.8	Confident	21 Å²	21	47.9 Å²	47.9	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-53	-38.4	179.1	0	0	0	0	0	114.3	L242 S247 L252 I253 K254	L242-A250 WeakPolarHBondContact O-CB 3.38Å; S247-A250 VanDerWaalsContact O-CB 3.28Å; S247-A250 WeakPolarHBondContact O-CB 3.43Å; S247-A250 PolarHBondContact O-N 3.38Å; A250-L252 VanDerWaalsContact C-N 3.34Å; A250-L252 PolarHBondContact O-N 2.67Å; A250-I253 PolarHBondContact O-N 2.84Å; A250-K254 PolarHBondContact O-N 2.79Å
251	P	85.9	Confident	81	Confident	42 Å²	42	44.6 Å²	44.6	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-36	176.6	-22.3	34.2	0	0	0	113.6	P248 F249 K254 A369 F370	P248-P251 WeakPolarHBondContact O-CD 3.35Å; F249-P251 VanDerWaalsContact C-N 3.32Å; P251-K254 WeakPolarHBondContact O-CB 3.41Å; P251-A369 HydrophobicContact CB-CB 4.21Å; P251-A369 WeakPolarHBondContact CB-O 3.11Å; P251-F370 HydrophobicContact CB-CD1 4.33Å; P251-F370 HydrophobicContact CG-CD1 4.24Å; P251-F370 HydrophobicContact CG-CE1 4.46Å
252	L	87.4	Confident	81.3	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.8	-40.8	176.2	-59.2	-179.3	0	0	0	111.7	F249 A250 K254 L255 C256 L265 L333 A336 A337 F370	F249-L252 PolarHBondContact O-N 2.95Å; F249-L252 VanDerWaalsContact O-N 3.07Å; A250-L252 VanDerWaalsContact C-N 3.34Å; A250-L252 PolarHBondContact O-N 2.67Å; L252-K254 PolarHBondContact O-N 3.06Å; L252-L255 WeakPolarHBondContact O-CB 3.42Å; L252-L255 PolarHBondContact O-N 3.39Å; L252-C256 PolarHBondContact O-N 3.04Å; L252-L265 HydrophobicContact CB-CD1 3.85Å; L252-L265 HydrophobicContact CB-CD2 4.36Å; L252-L265 HydrophobicContact CD1-CD1 4.49Å; L252-L333 WeakPolarHBondContact CD1-O 3.36Å; L252-L333 HydrophobicContact CD2-CD2 4.1Å; L252-A336 HydrophobicContact CD1-CB 4.39Å; L252-A336 HydrophobicContact CD2-CB 3.98Å; L252-A337 HydrophobicContact CD1-CB 3.75Å; L252-F370 HydrophobicContact CD1-CE1 4.3Å; L252-F370 HydrophobicContact CD1-CE2 3.89Å; L252-F370 HydrophobicContact CD1-CZ 3.41Å; L252-F370 VanDerWaalsContact CD1-CZ 3.41Å; L252-F370 HydrophobicContact CD2-CD2 4.46Å; L252-F370 HydrophobicContact CD2-CE1 4.35Å; L252-F370 HydrophobicContact CD2-CE2 3.86Å; L252-F370 HydrophobicContact CD2-CZ 3.83Å; L252-F370 HydrophobicContact CG-CE1 3.9Å; L252-F370 HydrophobicContact CG-CE2 3.98Å; L252-F370 HydrophobicContact CG-CZ 3.43Å; L252-F370 VanDerWaalsContact CG-CZ 3.43Å
253	I	85.7	Confident	81.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-28.2	-179.5	-60.3	175.1	0	0	0	110.5	K239 L242 F249 A250 L255 C256 A262 L265 V266	K239-I253 WeakPolarHBondContact CE-O 3.23Å; K239-I253 HydrophobicContact CG-CG2 4.37Å; L242-I253 HydrophobicContact CD1-CB 4.39Å; L242-I253 HydrophobicContact CD1-CD1 3.64Å; L242-I253 HydrophobicContact CD1-CG2 3.78Å; F249-I253 PolarHBondContact O-N 3.15Å; A250-I253 PolarHBondContact O-N 2.84Å; I253-L255 VanDerWaalsContact C-N 3.26Å; I253-L255 PolarHBondContact O-N 3.49Å; I253-C256 PolarHBondContact O-N 3.03Å; I253-A262 HydrophobicContact CG2-CB 4.14Å; I253-L265 HydrophobicContact CD1-CD2 4.1Å; I253-L265 HydrophobicContact CG1-CD2 3.73Å; I253-V266 HydrophobicContact CD1-CG2 4.27Å
254	K	86.6	Confident	82.3	Confident	165 Å²	165	40.6 Å²	40.6	72%	0.717	22%	0.219	S	C	*	.	H	α-helix	trans	-58	-35.9	167.7	-168.2	176.6	-179.9	178.6	0	112.4	K239 A250 P251 L252	K239-K254 PolarHBondContact NZ-O 2.85Å; A250-K254 PolarHBondContact O-N 2.79Å; P251-K254 WeakPolarHBondContact O-CB 3.41Å; L252-K254 PolarHBondContact O-N 3.06Å
255	L	88.5	Confident	82.9	Confident	69 Å²	69	33.5 Å²	33.5	36%	0.361	19%	0.186	S	C	.	.	H	α-helix	trans	-74.2	-24.7	177	-61	177.7	0	0	0	114.4	L252 I253 I257 L333 A369	L252-L255 WeakPolarHBondContact O-CB 3.42Å; L252-L255 PolarHBondContact O-N 3.39Å; I253-L255 VanDerWaalsContact C-N 3.26Å; I253-L255 PolarHBondContact O-N 3.49Å; L255-I257 PolarHBondContact O-N 2.89Å; L255-L333 HydrophobicContact CB-CD1 4.43Å; L255-L333 HydrophobicContact CB-CD2 4.38Å; L255-L333 HydrophobicContact CD1-CD2 3.65Å; L255-A369 HydrophobicContact CD1-CB 3.81Å; L255-A369 HydrophobicContact CG-CB 4.31Å
256	C	86.9	Confident	83.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	17%	0.174	C	C	.	.			trans	-60.4	131.7	-179.8	-64.6	0	0	0	0	111.4	K239 L252 I253 Q261 A262	K239-C256 WeakPolarHBondContact CE-O 3.43Å; K239-C256 PolarHBondContact NZ-O 3.03Å; L252-C256 PolarHBondContact O-N 3.04Å; I253-C256 PolarHBondContact O-N 3.03Å; C256-Q261 HydrophobicContact CB-CB 4.1Å; C256-A262 HydrophobicContact CB-CB 4.16Å
257	I	86	Confident	84.5	Confident	109 Å²	109	28.7 Å²	28.7	56%	0.559	15%	0.148	S	C	*	.			trans	-90.7	-37.9	-178.5	-62.9	173.7	0	0	0	111	L235 L255 Q261 I528	L235-I257 WeakPolarHBondContact CD2-O 3.45Å; L255-I257 PolarHBondContact O-N 2.89Å; I257-Q261 VanDerWaalsContact N-OE1 3.17Å; I257-I528 HydrophobicContact CD1-CG2 4.22Å; I257-I528 HydrophobicContact CG2-CG2 4.44Å
258	T	85.7	Confident	85.3	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.146	C	C	.	.	S	Bend	trans	-106.5	156	-176	58.4	0	0	0	0	112.3	D260 Q261 A262 E526 I528	T258-D260 VanDerWaalsContact C-N 3.34Å; T258-Q261 PolarHBondContact O-N 3.36Å; T258-Q261 VanDerWaalsContact OG1-CB 3.26Å; T258-Q261 WeakPolarHBondContact OG1-CB 3.42Å; T258-Q261 WeakPolarHBondContact OG1-CG 3.32Å; T258-Q261 PolarHBondContact OG1-N 3.41Å; T258-A262 PolarHBondContact O-N 2.92Å; T258-E526 VanDerWaalsContact CA-OE2 3.3Å; T258-E526 WeakPolarHBondContact CA-OE2 3.5Å; T258-E526 WeakPolarHBondContact CB-OE2 3.25Å; T258-E526 HydrophobicContact CG2-CB 3.97Å; T258-E526 HydrophobicContact CG2-CG 3.92Å; T258-E526 VanDerWaalsContact CG2-OE2 3.32Å; T258-E526 WeakPolarHBondContact CG2-OE2 3.36Å; T258-I528 HydrophobicContact CG2-CD1 3.74Å; T258-I528 HydrophobicContact CG2-CG1 3.61Å
259	F	85.9	Confident	85.7	Confident	45 Å²	45	27.2 Å²	27.2	20%	0.197	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-42.1	175.2	-177.3	-101.1	0	0	0	111.2	E234 L235 L238 Q261 A262 K263 E526	E234-F259 HydrophobicContact CB-CD2 3.91Å; E234-F259 HydrophobicContact CB-CE2 3.68Å; E234-F259 HydrophobicContact CB-CZ 4.42Å; L235-F259 HydrophobicContact CB-CD2 4.35Å; L238-F259 HydrophobicContact CD1-CD2 4.03Å; L238-F259 HydrophobicContact CD1-CE2 3.42Å; L238-F259 VanDerWaalsContact CD1-CE2 3.42Å; L238-F259 HydrophobicContact CD1-CZ 4.17Å; L238-F259 HydrophobicContact CG-CE2 4.15Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.27Å; F259-A262 PolarHBondContact O-N 2.88Å; F259-A262 VanDerWaalsContact O-N 3.17Å; F259-K263 HydrophobicContact CE1-CD 4.3Å; F259-K263 WeakPolarHBondContact O-CB 3.26Å; F259-K263 PolarHBondContact O-N 3.36Å; F259-E526 PolarHBondContact N-OE2 2.99Å
260	D	86	Confident	85.6	Confident	16 Å²	16	27.1 Å²	27.1	9%	0.086	14%	0.139	C	C	.	.	H	α-helix	trans	-57.8	-39.9	175.2	-84.6	-18.3	0	0	0	113.2	T258 K263 S264 L524 T525 E526	T258-D260 VanDerWaalsContact C-N 3.34Å; D260-K263 PolarHBondContact O-N 3.36Å; D260-S264 WeakPolarHBondContact O-CB 3.32Å; D260-S264 PolarHBondContact O-N 3.12Å; D260-L524 HydrophobicContact CB-CB 4.3Å; D260-L524 HydrophobicContact CB-CD2 3.85Å; D260-L524 WeakPolarHBondContact OD2-CA 3.3Å; D260-T525 PolarHBondContact OD2-N 3.11Å; D260-T525 PolarHBondContact OD2-OG1 3.2Å; D260-E526 PolarHBondContact OD2-N 2.89Å
261	Q	88.2	Confident	85.6	Confident	9 Å²	9	26.1 Å²	26.1	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-47	175.1	-85.8	-177.6	-26.3	0	0	111.5	C256 I257 T258 F259 K263 S264 L265 G326 A330 I528	C256-Q261 HydrophobicContact CB-CB 4.1Å; I257-Q261 VanDerWaalsContact N-OE1 3.17Å; T258-Q261 PolarHBondContact O-N 3.36Å; T258-Q261 VanDerWaalsContact OG1-CB 3.26Å; T258-Q261 WeakPolarHBondContact OG1-CB 3.42Å; T258-Q261 WeakPolarHBondContact OG1-CG 3.32Å; T258-Q261 PolarHBondContact OG1-N 3.41Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.27Å; Q261-K263 PolarHBondContact O-N 2.86Å; Q261-S264 PolarHBondContact O-N 3.29Å; Q261-S264 PolarHBondContact O-OG 2.88Å; Q261-L265 PolarHBondContact O-N 2.88Å; Q261-G326 PolarHBondContact NE2-O 2.73Å; Q261-A330 HydrophobicContact CG-CB 4.43Å; Q261-I528 HydrophobicContact CG-CD1 4.26Å; Q261-I528 VanDerWaalsContact NE2-CD1 3.33Å
262	A	86.5	Confident	85.4	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-44.8	178.4	0	0	0	0	0	111.5	L235 I253 C256 T258 F259 S264 L265 V266	L235-A262 HydrophobicContact CD1-CB 3.74Å; I253-A262 HydrophobicContact CG2-CB 4.14Å; C256-A262 HydrophobicContact CB-CB 4.16Å; T258-A262 PolarHBondContact O-N 2.92Å; F259-A262 PolarHBondContact O-N 2.88Å; F259-A262 VanDerWaalsContact O-N 3.17Å; A262-S264 VanDerWaalsContact C-N 3.31Å; A262-S264 PolarHBondContact O-N 3.19Å; A262-L265 PolarHBondContact O-N 3.16Å; A262-L265 VanDerWaalsContact O-N 3.13Å; A262-V266 WeakPolarHBondContact O-CG2 3.18Å; A262-V266 PolarHBondContact O-N 3.09Å
263	K	84.4	Confident	84.8	Confident	42 Å²	42	24.3 Å²	24.3	18%	0.183	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-37.1	173.5	170.6	171.1	149.8	-177.7	0	112.7	F259 D260 Q261 Q267 L486	F259-K263 HydrophobicContact CE1-CD 4.3Å; F259-K263 WeakPolarHBondContact O-CB 3.26Å; F259-K263 PolarHBondContact O-N 3.36Å; D260-K263 PolarHBondContact O-N 3.36Å; Q261-K263 PolarHBondContact O-N 2.86Å; K263-Q267 PolarHBondContact O-N 3.44Å; K263-L486 WeakPolarHBondContact CE-O 3.11Å; K263-L486 PolarHBondContact NZ-O 3.41Å
264	S	86	Confident	83.9	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.7	-39.8	173	80.9	0	0	0	0	112.5	D260 Q261 A262 Q267 F268	D260-S264 WeakPolarHBondContact O-CB 3.32Å; D260-S264 PolarHBondContact O-N 3.12Å; Q261-S264 PolarHBondContact O-N 3.29Å; Q261-S264 PolarHBondContact O-OG 2.88Å; A262-S264 VanDerWaalsContact C-N 3.31Å; A262-S264 PolarHBondContact O-N 3.19Å; S264-Q267 PolarHBondContact O-N 2.79Å; S264-Q267 VanDerWaalsContact O-N 3.12Å; S264-F268 WeakPolarHBondContact O-CD2 3.3Å; S264-F268 PolarHBondContact O-N 2.8Å
265	L	87.8	Confident	82.9	Confident	1 Å²	1	19 Å²	19	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-68.4	-39	-178.5	-161.2	151.4	0	0	0	111.8	L252 I253 Q261 A262 Q267 F268 C269 L333	L252-L265 HydrophobicContact CB-CD1 3.85Å; L252-L265 HydrophobicContact CB-CD2 4.36Å; L252-L265 HydrophobicContact CD1-CD1 4.49Å; I253-L265 HydrophobicContact CD1-CD2 4.1Å; I253-L265 HydrophobicContact CG1-CD2 3.73Å; Q261-L265 PolarHBondContact O-N 2.88Å; A262-L265 PolarHBondContact O-N 3.16Å; A262-L265 VanDerWaalsContact O-N 3.13Å; L265-Q267 VanDerWaalsContact C-N 3.29Å; L265-Q267 PolarHBondContact O-N 3.25Å; L265-F268 PolarHBondContact O-N 3.39Å; L265-C269 VanDerWaalsContact CD2-SG 3.54Å; L265-C269 PolarHBondContact O-N 3.07Å; L265-C269 PolarHBondContact O-SG 3.05Å; L265-L333 HydrophobicContact CD1-CB 3.57Å; L265-L333 HydrophobicContact CD1-CD1 4.17Å; L265-L333 HydrophobicContact CD1-CG 4.48Å
266	V	85	Confident	81.6	Confident	26 Å²	26	16.4 Å²	16.4	16%	0.158	9%	0.091	C	C	.	.	H	α-helix	trans	-57	-42.2	169.6	168.8	0	0	0	0	111.3	I253 A262 C269 A270 I303	I253-V266 HydrophobicContact CD1-CG2 4.27Å; A262-V266 WeakPolarHBondContact O-CG2 3.18Å; A262-V266 PolarHBondContact O-N 3.09Å; V266-C269 PolarHBondContact O-N 2.86Å; V266-A270 WeakPolarHBondContact O-CB 2.98Å; V266-A270 PolarHBondContact O-N 3.29Å; V266-I303 HydrophobicContact CG1-CD1 3.59Å; V266-I303 HydrophobicContact CG2-CD1 4.2Å
267	Q	84.1	Confident	80	Confident	5 Å²	5	20.1 Å²	20.1	2%	0.023	11%	0.109	C	C	.	.	H	α-helix	trans	-69.6	-37.2	177.1	-68.9	-168.5	48.2	0	0	113	K263 S264 L265 A270 S271 L486 V522	K263-Q267 PolarHBondContact O-N 3.44Å; S264-Q267 PolarHBondContact O-N 2.79Å; S264-Q267 VanDerWaalsContact O-N 3.12Å; L265-Q267 VanDerWaalsContact C-N 3.29Å; L265-Q267 PolarHBondContact O-N 3.25Å; Q267-A270 PolarHBondContact O-N 3.35Å; Q267-S271 PolarHBondContact O-N 3.24Å; Q267-L486 HydrophobicContact CG-CD1 4.26Å; Q267-V522 HydrophobicContact CB-CG2 4.39Å
268	F	86.6	Confident	78.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-50.9	169.6	-69.8	-53.6	0	0	0	110.8	S264 L265 A270 S271 L272 V317 V319 A330 L331 F450	S264-F268 WeakPolarHBondContact O-CD2 3.3Å; S264-F268 PolarHBondContact O-N 2.8Å; L265-F268 PolarHBondContact O-N 3.39Å; F268-A270 VanDerWaalsContact C-N 3.29Å; F268-A270 PolarHBondContact O-N 2.99Å; F268-S271 PolarHBondContact O-N 3.33Å; F268-S271 PolarHBondContact O-OG 3.14Å; F268-L272 WeakPolarHBondContact O-CG 3.25Å; F268-L272 PolarHBondContact O-N 2.99Å; F268-V317 HydrophobicContact CD1-CB 3.96Å; F268-V317 HydrophobicContact CD1-CG1 3.67Å; F268-V317 HydrophobicContact CD1-CG2 4.14Å; F268-V317 HydrophobicContact CE1-CB 3.83Å; F268-V317 HydrophobicContact CE1-CG1 3.47Å; F268-V317 VanDerWaalsContact CE1-CG1 3.47Å; F268-V317 HydrophobicContact CZ-CG1 4.31Å; F268-V319 HydrophobicContact CE1-CG2 4.2Å; F268-V319 HydrophobicContact CE2-CG2 4.18Å; F268-V319 HydrophobicContact CZ-CG2 3.47Å; F268-V319 VanDerWaalsContact CZ-CG2 3.47Å; F268-A330 HydrophobicContact CE2-CB 4.38Å; F268-A330 WeakPolarHBondContact CE2-O 3.1Å; F268-L331 HydrophobicContact CE1-CD2 4.14Å; F268-L331 HydrophobicContact CZ-CD2 3.71Å; F268-F450 HydrophobicContact CB-CE2 4.45Å; F268-F450 HydrophobicContact CB-CZ 4.24Å; F268-F450 AromaticContact CD1-CD1 3.82Å; F268-F450 HydrophobicContact CD1-CD1 3.82Å; F268-F450 AromaticContact CD1-CD2 3.77Å; F268-F450 HydrophobicContact CD1-CD2 3.77Å; F268-F450 AromaticContact CD1-CE1 3.75Å; F268-F450 HydrophobicContact CD1-CE1 3.75Å; F268-F450 AromaticContact CD1-CE2 3.69Å; F268-F450 HydrophobicContact CD1-CE2 3.69Å; F268-F450 AromaticContact CD1-CG 3.85Å; F268-F450 HydrophobicContact CD1-CG 3.85Å; F268-F450 AromaticContact CD1-CZ 3.68Å; F268-F450 HydrophobicContact CD1-CZ 3.68Å; F268-F450 HydrophobicContact CE1-CB 4.08Å; F268-F450 AromaticContact CE1-CD1 3.96Å; F268-F450 HydrophobicContact CE1-CD1 3.96Å; F268-F450 AromaticContact CE1-CD2 3.82Å; F268-F450 HydrophobicContact CE1-CD2 3.82Å; F268-F450 HydrophobicContact CE1-CE1 4.36Å; F268-F450 HydrophobicContact CE1-CE2 4.23Å; F268-F450 AromaticContact CE1-CG 3.68Å; F268-F450 HydrophobicContact CE1-CG 3.68Å; F268-F450 HydrophobicContact CE1-CZ 4.48Å; F268-F450 HydrophobicContact CG-CE2 4.27Å; F268-F450 HydrophobicContact CG-CZ 4.34Å
269	C	83.9	Confident	76.4	Confident	8 Å²	8	24.2 Å²	24.2	5%	0.054	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-38.2	178.6	-63.5	0	0	0	0	112.5	F249 L265 V266 L272 A273	F249-C269 HydrophobicContact CD2-CB 3.96Å; F249-C269 HydrophobicContact CE2-CB 3.92Å; F249-C269 HydrophobicContact CG-CB 4.45Å; F249-C269 VanDerWaalsContact CG-SG 3.57Å; F249-C269 HydrophobicContact CZ-CB 4.38Å; L265-C269 VanDerWaalsContact CD2-SG 3.54Å; L265-C269 PolarHBondContact O-N 3.07Å; L265-C269 PolarHBondContact O-SG 3.05Å; V266-C269 PolarHBondContact O-N 2.86Å; C269-L272 PolarHBondContact O-N 2.93Å; C269-A273 WeakPolarHBondContact O-CB 3.35Å; C269-A273 PolarHBondContact O-N 3.32Å
270	A	79	Confident	74.5	Confident	5 Å²	5	25.9 Å²	25.9	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-40	174.3	0	0	0	0	0	113.3	V266 Q267 F268 S274 L300 F520	V266-A270 WeakPolarHBondContact O-CB 2.98Å; V266-A270 PolarHBondContact O-N 3.29Å; Q267-A270 PolarHBondContact O-N 3.35Å; F268-A270 VanDerWaalsContact C-N 3.29Å; F268-A270 PolarHBondContact O-N 2.99Å; A270-S274 WeakPolarHBondContact O-CB 3.31Å; A270-S274 PolarHBondContact O-N 3.02Å; A270-S274 VanDerWaalsContact O-N 3.14Å; A270-S274 PolarHBondContact O-OG 3.11Å; A270-L300 HydrophobicContact CB-CD1 3.85Å; A270-L300 HydrophobicContact CB-CD2 4.19Å; A270-L300 HydrophobicContact CB-CG 4.25Å; A270-F520 HydrophobicContact CB-CE1 4.48Å
271	S	81.1	Confident	72.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-33	175.6	73.3	0	0	0	0	112.9	Q267 F268 S274 A275 V317 F450	Q267-S271 PolarHBondContact O-N 3.24Å; F268-S271 PolarHBondContact O-N 3.33Å; F268-S271 PolarHBondContact O-OG 3.14Å; S271-S274 PolarHBondContact O-OG 2.84Å; S271-A275 PolarHBondContact O-N 2.94Å; S271-V317 WeakPolarHBondContact OG-CG2 3.4Å; S271-F450 WeakPolarHBondContact OG-CE1 3.42Å
272	L	81.3	Confident	70.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.8	-43.6	175.6	-64.9	172.8	0	0	0	111.9	F268 C269 A275 S276 A337 A338 T341 M343 I448 F450	F268-L272 WeakPolarHBondContact O-CG 3.25Å; F268-L272 PolarHBondContact O-N 2.99Å; C269-L272 PolarHBondContact O-N 2.93Å; L272-A275 PolarHBondContact O-N 3.21Å; L272-S276 WeakPolarHBondContact O-CB 3.32Å; L272-S276 PolarHBondContact O-N 2.93Å; L272-S276 PolarHBondContact O-OG 3.04Å; L272-A337 HydrophobicContact CD1-CB 3.92Å; L272-A338 HydrophobicContact CD1-CB 4.17Å; L272-A338 HydrophobicContact CD2-CB 4.06Å; L272-T341 HydrophobicContact CB-CG2 4.1Å; L272-T341 HydrophobicContact CD1-CG2 4.41Å; L272-M343 HydrophobicContact CD2-CE 3.37Å; L272-M343 HydrophobicContact CD2-SD 4.36Å; L272-I448 HydrophobicContact CD2-CD1 4.18Å; L272-F450 HydrophobicContact CD1-CZ 4.44Å; L272-F450 HydrophobicContact CD2-CZ 3.88Å; L272-F450 HydrophobicContact CG-CZ 4.05Å
273	A	74.6	Confident	67.4	Low	3 Å²	3	39.9 Å²	39.9	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-43.4	179.1	0	0	0	0	0	112.1	C269 A275 S276 A296	C269-A273 WeakPolarHBondContact O-CB 3.35Å; C269-A273 PolarHBondContact O-N 3.32Å; A273-A275 PolarHBondContact O-N 2.87Å; A273-S276 PolarHBondContact O-N 2.79Å; A273-A296 HydrophobicContact CB-CB 3.95Å
274	S	68.4	Low	65	Low	38 Å²	38	45.7 Å²	45.7	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-34.4	178.6	48.9	0	0	0	0	113.4	A270 S271	A270-S274 WeakPolarHBondContact O-CB 3.31Å; A270-S274 PolarHBondContact O-N 3.02Å; A270-S274 VanDerWaalsContact O-N 3.14Å; A270-S274 PolarHBondContact O-OG 3.11Å; S271-S274 PolarHBondContact O-OG 2.84Å
275	A	65.6	Low	62.3	Low	18 Å²	18	54.8 Å²	54.8	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-74.5	-40.3	174	0	0	0	0	0	113.1	S271 L272 A273 Q277 L278 I448	S271-A275 PolarHBondContact O-N 2.94Å; L272-A275 PolarHBondContact O-N 3.21Å; A273-A275 PolarHBondContact O-N 2.87Å; A275-Q277 PolarHBondContact O-N 3.24Å; A275-Q277 VanDerWaalsContact O-N 3.11Å; A275-L278 PolarHBondContact O-N 3.45Å; A275-I448 HydrophobicContact CB-CD1 3.43Å; A275-I448 VanDerWaalsContact CB-CD1 3.43Å; A275-I448 HydrophobicContact CB-CG1 3.98Å
276	S	60.4	Low	59.9	Low	14 Å²	14	58 Å²	58	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-22.6	-174.9	-59.8	0	0	0	0	113.8	L272 A273 L278	L272-S276 WeakPolarHBondContact O-CB 3.32Å; L272-S276 PolarHBondContact O-N 2.93Å; L272-S276 PolarHBondContact O-OG 3.04Å; A273-S276 PolarHBondContact O-N 2.79Å; S276-L278 PolarHBondContact O-N 3.02Å
277	Q	54.4	Low	57.8	Low	79 Å²	79	62.8 Å²	62.8	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-15.7	175.3	-65.9	180	22.1	0	0	114.1	A275 L293 N297	A275-Q277 PolarHBondContact O-N 3.24Å; A275-Q277 VanDerWaalsContact O-N 3.11Å; Q277-L293 HydrophobicContact CG-CD2 3.97Å; Q277-N297 PolarHBondContact NE2-ND2 3Å; Q277-N297 VanDerWaalsContact NE2-ND2 3.17Å; Q277-N297 PolarHBondContact NE2-OD1 2.98Å; Q277-N297 VanDerWaalsContact NE2-OD1 3.07Å
278	L	46.3	Very low	55.7	Low	72 Å²	72	70.6 Å²	70.6	38%	0.377	39%	0.39	S	S	.	.	H	α-helix	trans	-84.2	-37	179.8	-82.2	162.1	0	0	0	113.4	A275 S276	A275-L278 PolarHBondContact O-N 3.45Å; S276-L278 PolarHBondContact O-N 3.02Å
279	Q	48.7	Very low	53.6	Low	126 Å²	126	73.8 Å²	73.8	59%	0.589	41%	0.41	S	S	*	.	H	α-helix	trans	-72.8	-34.9	-178.9	-68.7	-173.6	-11.2	0	0	112.5	K281	Q279-K281 PolarHBondContact O-N 3.4Å
280	N	46.4	Very low	51.5	Low	80 Å²	80	76.2 Å²	76.2	43%	0.428	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-82.7	-1.3	-172.2	-77.1	-36.8	0	0	0	115.9	G282 C283	N280-G282 PolarHBondContact O-N 3.45Å; N280-C283 PolarHBondContact O-N 3.16Å
281	K	43.1	Very low	49.9	Very low	159 Å²	159	79.3 Å²	79.3	69%	0.691	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-67.6	-1.5	177.6	-76.7	-176.8	178.5	-179.9	0	114.8	Q279	Q279-K281 PolarHBondContact O-N 3.4Å
282	G	38.6	Very low	48.2	Very low	77 Å²	77	81.3 Å²	81.3	79%	0.794	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-106.9	-7.5	179	0	0	0	0	0	116.9	N280	N280-G282 PolarHBondContact O-N 3.45Å
283	C	29.8	Very low	46.6	Very low	84 Å²	84	82.7 Å²	82.7	57%	0.568	47%	0.47	S	S	*	.			trans	-133.4	95.9	-168.8	-165.3	0	0	0	0	114.9	N280 K285	N280-C283 PolarHBondContact O-N 3.16Å; C283-K285 VanDerWaalsContact C-N 3.27Å; C283-K285 PolarHBondContact O-N 3.16Å
284	N	33.2	Very low	45.3	Very low	164 Å²	164	85.4 Å²	85.4	88%	0.877	49%	0.492	S	S	*	.			trans	-77.1	66.9	169.6	-71.8	-14.1	0	0	0	111.7
285	K	30.3	Very low	44.3	Very low	192 Å²	192	87.3 Å²	87.3	84%	0.835	50%	0.498	S	S	*	.			trans	-171.7	71	171.8	-106.4	150.1	-170.6	179.8	0	116.1	C283	C283-K285 VanDerWaalsContact C-N 3.27Å; C283-K285 PolarHBondContact O-N 3.16Å
286	S	37.5	Very low	43.4	Very low	68 Å²	68	86.8 Å²	86.8	48%	0.476	49%	0.494	S	S	.	.			trans	-171.7	102.2	151.1	55.5	0	0	0	0	112.7	Q288 V289	S286-Q288 PolarHBondContact O-N 3.07Å; S286-V289 PolarHBondContact O-N 3.39Å
287	T	40.1	Very low	42.8	Very low	126 Å²	126	89.1 Å²	89.1	77%	0.773	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-36.7	-173.9	-37.8	0	0	0	0	113.6	A290 T291	T287-A290 PolarHBondContact O-N 2.8Å; T287-T291 PolarHBondContact O-N 3.25Å; T287-T291 PolarHBondContact O-OG1 2.75Å
288	Q	41.8	Very low	42.6	Very low	169 Å²	169	88.2 Å²	88.2	79%	0.79	51%	0.507	S	S	*	.	H	α-helix	trans	-68.7	-35	-175.4	-70.7	176.2	-28.2	0	0	113.8	S286 T291	S286-Q288 PolarHBondContact O-N 3.07Å; Q288-T291 VanDerWaalsContact C-OG1 3.29Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.4Å; Q288-T291 PolarHBondContact O-N 3.15Å; Q288-T291 PolarHBondContact O-OG1 3.39Å
289	V	40.9	Very low	42.8	Very low	68 Å²	68	85.4 Å²	85.4	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-74.4	-30.8	177.3	-176	0	0	0	0	111.3	S286 T291 S292 L293	S286-V289 PolarHBondContact O-N 3.39Å; V289-T291 VanDerWaalsContact C-N 3.33Å; V289-T291 PolarHBondContact O-N 2.76Å; V289-S292 PolarHBondContact O-OG 2.78Å; V289-L293 PolarHBondContact O-N 3.2Å
290	A	39.7	Very low	42.9	Very low	59 Å²	59	80.9 Å²	80.9	49%	0.488	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-37.7	173.9	0	0	0	0	0	111.7	T287 A294	T287-A290 PolarHBondContact O-N 2.8Å; A290-A294 VanDerWaalsContact O-CB 3.3Å; A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 2.87Å
291	T	45	Very low	43	Very low	70 Å²	70	81 Å²	81	43%	0.429	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-46.3	178.3	21.7	0	0	0	0	113.7	T287 Q288 V289 L293 A294 M295	T287-T291 PolarHBondContact O-N 3.25Å; T287-T291 PolarHBondContact O-OG1 2.75Å; Q288-T291 VanDerWaalsContact C-OG1 3.29Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.4Å; Q288-T291 PolarHBondContact O-N 3.15Å; Q288-T291 PolarHBondContact O-OG1 3.39Å; V289-T291 VanDerWaalsContact C-N 3.33Å; V289-T291 PolarHBondContact O-N 2.76Å; T291-L293 VanDerWaalsContact C-N 3.35Å; T291-L293 PolarHBondContact O-N 3.33Å; T291-A294 PolarHBondContact O-N 3.45Å; T291-M295 HydrophobicContact CG2-CE 4.39Å; T291-M295 WeakPolarHBondContact O-CB 3.2Å; T291-M295 VanDerWaalsContact O-CG 3.24Å; T291-M295 WeakPolarHBondContact O-CG 3.14Å; T291-M295 PolarHBondContact O-N 3.43Å
292	S	46.9	Very low	43.2	Very low	41 Å²	41	76.7 Å²	76.7	29%	0.287	47%	0.47	S	S	.	.	H	α-helix	trans	-66.5	-36.9	179.6	56.2	0	0	0	0	112.3	V289 M295 A296	V289-S292 PolarHBondContact O-OG 2.78Å; S292-M295 PolarHBondContact O-N 2.99Å; S292-A296 WeakPolarHBondContact O-CB 3.35Å; S292-A296 PolarHBondContact O-N 2.82Å
293	L	48.2	Very low	43.7	Very low	29 Å²	29	76 Å²	76	15%	0.152	45%	0.447	C	S	.	.	H	α-helix	trans	-66.7	-40.1	174.2	-122.2	167.3	0	0	0	112.3	Q277 V289 T291 A296 N297	Q277-L293 HydrophobicContact CG-CD2 3.97Å; V289-L293 PolarHBondContact O-N 3.2Å; T291-L293 VanDerWaalsContact C-N 3.35Å; T291-L293 PolarHBondContact O-N 3.33Å; L293-A296 PolarHBondContact O-N 2.83Å; L293-N297 PolarHBondContact O-N 3.04Å; L293-N297 VanDerWaalsContact O-N 3.11Å
294	A	47.2	Very low	44	Very low	60 Å²	60	73.8 Å²	73.8	50%	0.496	44%	0.438	S	S	.	.	H	α-helix	trans	-66.7	-40.8	174.7	0	0	0	0	0	112.2	A290 T291 N297 S298	A290-A294 VanDerWaalsContact O-CB 3.3Å; A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 2.87Å; T291-A294 PolarHBondContact O-N 3.45Å; A294-N297 WeakPolarHBondContact O-CB 3.4Å; A294-N297 PolarHBondContact O-N 3.35Å; A294-S298 PolarHBondContact O-N 3.22Å
295	M	45.6	Very low	44.5	Very low	79 Å²	79	66.6 Å²	66.6	39%	0.389	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-37.9	174.3	-69.4	164	-176.2	0	0	112	T291 S292 N297 S298 L299	T291-M295 HydrophobicContact CG2-CE 4.39Å; T291-M295 WeakPolarHBondContact O-CB 3.2Å; T291-M295 VanDerWaalsContact O-CG 3.24Å; T291-M295 WeakPolarHBondContact O-CG 3.14Å; T291-M295 PolarHBondContact O-N 3.43Å; S292-M295 PolarHBondContact O-N 2.99Å; M295-N297 VanDerWaalsContact C-N 3.32Å; M295-N297 PolarHBondContact O-N 3.24Å; M295-S298 WeakPolarHBondContact O-CA 3.4Å; M295-S298 WeakPolarHBondContact O-CB 3.27Å; M295-S298 PolarHBondContact O-N 2.96Å; M295-L299 PolarHBondContact O-N 3.09Å
296	A	47.3	Very low	44.7	Very low	6 Å²	6	61.1 Å²	61.1	5%	0.05	40%	0.4	C	S	.	.	H	α-helix	trans	-62.4	-38.4	173.2	0	0	0	0	0	112.3	F249 A273 S292 L293 L299 L300	F249-A296 HydrophobicContact CE2-CB 3.94Å; A273-A296 HydrophobicContact CB-CB 3.95Å; S292-A296 WeakPolarHBondContact O-CB 3.35Å; S292-A296 PolarHBondContact O-N 2.82Å; L293-A296 PolarHBondContact O-N 2.83Å; A296-L299 PolarHBondContact O-N 3.48Å; A296-L300 WeakPolarHBondContact O-CD1 3.2Å; A296-L300 PolarHBondContact O-N 3.38Å
297	N	49	Very low	44.9	Very low	64 Å²	64	61.4 Å²	61.4	34%	0.342	40%	0.399	S	S	.	.	H	α-helix	trans	-67.3	-35.2	170.5	-71	-15.6	0	0	0	112	Q277 L293 A294 M295 L299 L300 S301	Q277-N297 PolarHBondContact NE2-ND2 3Å; Q277-N297 VanDerWaalsContact NE2-ND2 3.17Å; Q277-N297 PolarHBondContact NE2-OD1 2.98Å; Q277-N297 VanDerWaalsContact NE2-OD1 3.07Å; L293-N297 PolarHBondContact O-N 3.04Å; L293-N297 VanDerWaalsContact O-N 3.11Å; A294-N297 WeakPolarHBondContact O-CB 3.4Å; A294-N297 PolarHBondContact O-N 3.35Å; M295-N297 VanDerWaalsContact C-N 3.32Å; M295-N297 PolarHBondContact O-N 3.24Å; N297-L299 VanDerWaalsContact C-N 3.33Å; N297-L299 PolarHBondContact O-N 3.27Å; N297-L300 PolarHBondContact O-N 3.15Å; N297-S301 PolarHBondContact O-N 3.02Å; N297-S301 VanDerWaalsContact O-N 3.12Å
298	S	49.8	Very low	44.7	Very low	59 Å²	59	64.4 Å²	64.4	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-42.9	174.1	-160.9	0	0	0	0	111.7	A294 M295 L300 S301 S302	A294-S298 PolarHBondContact O-N 3.22Å; M295-S298 WeakPolarHBondContact O-CA 3.4Å; M295-S298 WeakPolarHBondContact O-CB 3.27Å; M295-S298 PolarHBondContact O-N 2.96Å; S298-L300 VanDerWaalsContact C-N 3.29Å; S298-L300 PolarHBondContact O-N 3.49Å; S298-S301 WeakPolarHBondContact O-CA 3.43Å; S298-S301 WeakPolarHBondContact O-CB 3.44Å; S298-S301 PolarHBondContact O-N 3.49Å; S298-S301 PolarHBondContact O-OG 3Å; S298-S302 PolarHBondContact O-N 3.18Å; S298-S302 PolarHBondContact O-OG 3.02Å
299	L	50.1	Low	44.5	Very low	13 Å²	13	65.4 Å²	65.4	7%	0.068	41%	0.406	C	S	.	.	H	α-helix	trans	-60	-33.2	175.1	-68.3	-174.5	0	0	0	113.8	L242 F249 M295 A296 N297 S302 I303	L242-L299 HydrophobicContact CD2-CD1 4.47Å; L242-L299 HydrophobicContact CD2-CD2 3.39Å; F249-L299 HydrophobicContact CD2-CD1 4.05Å; M295-L299 PolarHBondContact O-N 3.09Å; A296-L299 PolarHBondContact O-N 3.48Å; N297-L299 VanDerWaalsContact C-N 3.33Å; N297-L299 PolarHBondContact O-N 3.27Å; L299-S302 PolarHBondContact O-OG 3.49Å; L299-I303 WeakPolarHBondContact O-CB 3.37Å; L299-I303 WeakPolarHBondContact O-CD1 3.47Å; L299-I303 VanDerWaalsContact O-CG1 3.31Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 2.88Å
300	L	51.2	Low	44.6	Very low	32 Å²	32	66.4 Å²	66.4	17%	0.168	41%	0.412	C	S	.	.	H	α-helix	trans	-70.7	-36.5	171.9	-87.1	73.9	0	0	0	111	A270 A296 N297 S298 G304 A305	A270-L300 HydrophobicContact CB-CD1 3.85Å; A270-L300 HydrophobicContact CB-CD2 4.19Å; A270-L300 HydrophobicContact CB-CG 4.25Å; A296-L300 WeakPolarHBondContact O-CD1 3.2Å; A296-L300 PolarHBondContact O-N 3.38Å; N297-L300 PolarHBondContact O-N 3.15Å; S298-L300 VanDerWaalsContact C-N 3.29Å; S298-L300 PolarHBondContact O-N 3.49Å; L300-G304 PolarHBondContact O-N 3.15Å; L300-A305 HydrophobicContact CB-CB 4.29Å; L300-A305 HydrophobicContact CG-CB 4.45Å; L300-A305 WeakPolarHBondContact O-CA 3.27Å; L300-A305 VanDerWaalsContact O-CB 3.29Å; L300-A305 WeakPolarHBondContact O-CB 3.2Å; L300-A305 PolarHBondContact O-N 3.22Å
301	S	48.7	Very low	44.9	Very low	81 Å²	81	67.1 Å²	67.1	57%	0.566	41%	0.414	S	S	*	.	H	α-helix	trans	-68.5	-43.2	179.7	80.4	0	0	0	0	112.6	N297 S298 I303 G304	N297-S301 PolarHBondContact O-N 3.02Å; N297-S301 VanDerWaalsContact O-N 3.12Å; S298-S301 WeakPolarHBondContact O-CA 3.43Å; S298-S301 WeakPolarHBondContact O-CB 3.44Å; S298-S301 PolarHBondContact O-N 3.49Å; S298-S301 PolarHBondContact O-OG 3Å; S301-I303 VanDerWaalsContact C-N 3.33Å; S301-I303 PolarHBondContact O-N 3.45Å; S301-G304 PolarHBondContact O-N 3.4Å
302	S	47.2	Very low	45.3	Very low	70 Å²	70	64.2 Å²	64.2	49%	0.49	40%	0.396	S	S	.	.	H	α-helix	trans	-68	-31.3	179.6	59.1	0	0	0	0	112.6	S298 L299 G304	S298-S302 PolarHBondContact O-N 3.18Å; S298-S302 PolarHBondContact O-OG 3.02Å; L299-S302 PolarHBondContact O-OG 3.49Å; S302-G304 PolarHBondContact O-N 3.04Å
303	I	48	Very low	45.9	Very low	63 Å²	63	65.3 Å²	65.3	32%	0.323	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	7.2	174.4	-61.1	175.2	0	0	0	111.7	V266 L299 S301 A305	V266-I303 HydrophobicContact CG1-CD1 3.59Å; V266-I303 HydrophobicContact CG2-CD1 4.2Å; L299-I303 WeakPolarHBondContact O-CB 3.37Å; L299-I303 WeakPolarHBondContact O-CD1 3.47Å; L299-I303 VanDerWaalsContact O-CG1 3.31Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 2.88Å; S301-I303 VanDerWaalsContact C-N 3.33Å; S301-I303 PolarHBondContact O-N 3.45Å; I303-A305 PolarHBondContact O-N 3.27Å
304	G	36.9	Very low	47.1	Very low	37 Å²	37	64 Å²	64	38%	0.381	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.9	176.6	0	0	0	0	0	113.7	L300 S301 S302 G306 K485	L300-G304 PolarHBondContact O-N 3.15Å; S301-G304 PolarHBondContact O-N 3.4Å; S302-G304 PolarHBondContact O-N 3.04Å; G304-G306 PolarHBondContact O-N 3.15Å; G304-K485 PolarHBondContact O-NZ 3.22Å
305	A	44.1	Very low	48.7	Very low	12 Å²	12	61.3 Å²	61.3	10%	0.099	38%	0.375	C	S	.	.			trans	-82.8	58.7	179.4	0	0	0	0	0	111.5	L300 I303 T307 T482	L300-A305 HydrophobicContact CB-CB 4.29Å; L300-A305 HydrophobicContact CG-CB 4.45Å; L300-A305 WeakPolarHBondContact O-CA 3.27Å; L300-A305 VanDerWaalsContact O-CB 3.29Å; L300-A305 WeakPolarHBondContact O-CB 3.2Å; L300-A305 PolarHBondContact O-N 3.22Å; I303-A305 PolarHBondContact O-N 3.27Å; A305-T307 PolarHBondContact O-N 2.95Å; A305-T307 PolarHBondContact O-OG1 3.03Å; A305-T482 HydrophobicContact CB-CG2 3.66Å
306	G	33.4	Very low	50.5	Low	78 Å²	78	57.6 Å²	57.6	80%	0.804	36%	0.356	S	S	*	.			trans	-61.4	78.6	169.7	0	0	0	0	0	111.7	G304	G304-G306 PolarHBondContact O-N 3.15Å
307	T	42.3	Very low	52.5	Low	74 Å²	74	57.3 Å²	57.3	45%	0.454	35%	0.354	S	S	.	.			trans	-83.2	133.5	174.6	43.9	0	0	0	0	108.5	A305	A305-T307 PolarHBondContact O-N 2.95Å; A305-T307 PolarHBondContact O-OG1 3.03Å
308	K	35.8	Very low	54.4	Low	188 Å²	188	54.5 Å²	54.5	82%	0.817	34%	0.339	S	S	*	.			trans	-67.6	148	164.5	-69.3	-174.3	174.3	-173.6	0	108.1	T310	K308-T310 PolarHBondContact O-N 2.91Å
309	E	36.3	Very low	56.2	Low	191 Å²	191	51.7 Å²	51.7	89%	0.893	32%	0.319	S	S	*	.			trans	-64.9	68.6	-171.3	-60	179.2	169.1	0	0	114.5	S311	E309-S311 PolarHBondContact O-N 2.97Å
310	T	43.2	Very low	58	Low	89 Å²	89	51.5 Å²	51.5	55%	0.546	32%	0.319	S	S	.	.			trans	-78.1	86.2	172.5	50.5	0	0	0	0	109.6	K308 S312	K308-T310 PolarHBondContact O-N 2.91Å; T310-S312 VanDerWaalsContact C-N 3.29Å; T310-S312 WeakPolarHBondContact O-CB 3.35Å; T310-S312 PolarHBondContact O-N 3.07Å; T310-S312 PolarHBondContact O-OG 3.15Å
311	S	46	Very low	59.6	Low	74 Å²	74	50.3 Å²	50.3	52%	0.517	31%	0.313	S	S	.	.			trans	-60.6	86	171.9	-70.3	0	0	0	0	110.8	E309	E309-S311 PolarHBondContact O-N 2.97Å
312	S	54.1	Low	61.1	Low	8 Å²	8	47.2 Å²	47.2	6%	0.056	29%	0.294	C	S	.	.			trans	-109	112.4	-165.1	-60.9	0	0	0	0	111	T310 S314 S516 V518	T310-S312 VanDerWaalsContact C-N 3.29Å; T310-S312 WeakPolarHBondContact O-CB 3.35Å; T310-S312 PolarHBondContact O-N 3.07Å; T310-S312 PolarHBondContact O-OG 3.15Å; S312-S314 PolarHBondContact O-N 3.14Å; S312-S314 VanDerWaalsContact O-N 3.15Å; S312-S516 WeakPolarHBondContact CB-O 3.35Å; S312-S516 PolarHBondContact OG-O 3.43Å; S312-V518 WeakPolarHBondContact OG-CG2 3.17Å
313	S	60.3	Low	62.7	Low	64 Å²	64	45.4 Å²	45.4	45%	0.448	28%	0.276	S	S	.	.	S	Bend	trans	-76.7	8.2	-177.5	62.8	0	0	0	0	114.8
314	S	72.2	Confident	64.2	Low	3 Å²	3	43.3 Å²	43.3	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	129.5	178.9	54.6	0	0	0	0	110.5	S312 R447 R517 V518	S312-S314 PolarHBondContact O-N 3.14Å; S312-S314 VanDerWaalsContact O-N 3.15Å; S314-R447 VanDerWaalsContact CA-O 3.29Å; S314-R447 WeakPolarHBondContact CA-O 3.5Å; S314-R447 WeakPolarHBondContact CB-O 3.05Å; S314-R517 WeakPolarHBondContact OG-CG 3.45Å; S314-V518 PolarHBondContact O-N 3.19Å
315	A	80.4	Confident	66.6	Low	3 Å²	3	42.9 Å²	42.9	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.5	177.5	0	0	0	0	0	110	I448 V449 V518 F520	A315-I448 WeakPolarHBondContact O-CA 3.34Å; A315-V449 PolarHBondContact O-N 2.85Å; A315-V518 WeakPolarHBondContact CA-O 3.11Å; A315-F520 HydrophobicContact CB-CE2 4.21Å
316	F	85.1	Confident	68.6	Low	1 Å²	1	43.3 Å²	43.3	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.5	174.3	-64.6	-72.1	0	0	0	109.1	I443 V449 M451 L473 R517 V518 L519 F520	F316-I443 HydrophobicContact CE1-CB 4.31Å; F316-I443 HydrophobicContact CE1-CG1 4.21Å; F316-I443 HydrophobicContact CE1-CG2 3.78Å; F316-I443 HydrophobicContact CZ-CG2 3.8Å; F316-V449 WeakPolarHBondContact CA-O 3.21Å; F316-V449 HydrophobicContact CD1-CB 3.83Å; F316-V449 HydrophobicContact CD1-CG2 4.23Å; F316-V449 HydrophobicContact CE1-CB 3.94Å; F316-V449 HydrophobicContact CE1-CG2 3.82Å; F316-M451 HydrophobicContact CD1-CE 3.89Å; F316-L473 HydrophobicContact CD2-CD2 4.49Å; F316-R517 HydrophobicContact CE2-CB 4.19Å; F316-V518 PolarHBondContact N-O 3.46Å; F316-L519 HydrophobicContact CB-CD1 3.79Å; F316-F520 PolarHBondContact O-N 3.27Å
317	V	87.8	Confident	71.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.3	169.5	-170.3	0	0	0	0	108.3	F268 S271 V449 F450 M451 F520 V522	F268-V317 HydrophobicContact CD1-CB 3.96Å; F268-V317 HydrophobicContact CD1-CG1 3.67Å; F268-V317 HydrophobicContact CD1-CG2 4.14Å; F268-V317 HydrophobicContact CE1-CB 3.83Å; F268-V317 HydrophobicContact CE1-CG1 3.47Å; F268-V317 VanDerWaalsContact CE1-CG1 3.47Å; F268-V317 HydrophobicContact CZ-CG1 4.31Å; S271-V317 WeakPolarHBondContact OG-CG2 3.4Å; V317-V449 PolarHBondContact N-O 2.85Å; V317-F450 HydrophobicContact CB-CD1 3.87Å; V317-F450 HydrophobicContact CB-CE1 4.32Å; V317-F450 HydrophobicContact CG2-CD1 3.84Å; V317-F450 HydrophobicContact CG2-CE1 3.81Å; V317-F450 WeakPolarHBondContact O-CA 3.26Å; V317-M451 PolarHBondContact O-N 3.04Å; V317-F520 HydrophobicContact CB-CB 4.37Å; V317-F520 HydrophobicContact CG1-CB 4.14Å; V317-F520 HydrophobicContact CG2-CB 4.11Å; V317-F520 HydrophobicContact CG2-CD2 4.07Å; V317-F520 HydrophobicContact CG2-CG 4.34Å; V317-V522 HydrophobicContact CG1-CG2 4.5Å
318	V	88.7	Confident	73.3	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.3	178	-168.6	0	0	0	0	109.8	T320 M451 L470 L473 L519 F520 V522	V318-T320 HydrophobicContact CG1-CG2 3.89Å; V318-M451 CarbonylContact C-O 3.53Å; V318-M451 WeakPolarHBondContact CA-O 3.36Å; V318-M451 HydrophobicContact CG1-CB 4.41Å; V318-M451 HydrophobicContact CG2-CB 4.48Å; V318-M451 HydrophobicContact CG2-CE 3.79Å; V318-L470 HydrophobicContact CB-CD2 4.19Å; V318-L470 HydrophobicContact CG1-CD2 4.1Å; V318-L470 HydrophobicContact CG2-CD2 3.98Å; V318-L473 HydrophobicContact CG2-CD1 4.49Å; V318-L519 HydrophobicContact CG2-CD1 3.95Å; V318-F520 PolarHBondContact N-O 3Å; V318-V522 PolarHBondContact O-N 3.45Å
319	V	88.9	Confident	75.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.4	171.8	-177.8	0	0	0	0	109.6	F268 K327 M451 A452 S453 V522 L524	F268-V319 HydrophobicContact CE1-CG2 4.2Å; F268-V319 HydrophobicContact CE2-CG2 4.18Å; F268-V319 HydrophobicContact CZ-CG2 3.47Å; F268-V319 VanDerWaalsContact CZ-CG2 3.47Å; V319-K327 HydrophobicContact CG1-CG 4.11Å; V319-M451 PolarHBondContact N-O 2.74Å; V319-A452 CarbonylContact O-C 3.57Å; V319-A452 VanDerWaalsContact O-CA 3.32Å; V319-A452 WeakPolarHBondContact O-CA 3.43Å; V319-S453 PolarHBondContact O-N 3.24Å; V319-V522 HydrophobicContact CG2-CB 4.22Å; V319-L524 HydrophobicContact CG1-CD1 3.7Å; V319-L524 HydrophobicContact CG1-CD2 4.39Å; V319-L524 HydrophobicContact CG1-CG 3.85Å
320	T	86.5	Confident	78.5	Confident	10 Å²	10	20.6 Å²	20.6	6%	0.061	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.8	-179.8	67.5	0	0	0	0	110	V318 I455 V522 S523 L524	V318-T320 HydrophobicContact CG1-CG2 3.89Å; T320-I455 HydrophobicContact CG2-CD1 4.43Å; T320-V522 PolarHBondContact N-O 3.27Å; T320-V522 PolarHBondContact OG1-O 2.8Å; T320-V522 VanDerWaalsContact OG1-O 3.05Å; T320-S523 CarbonylContact O-C 3.5Å; T320-S523 VanDerWaalsContact O-CA 3.31Å; T320-S523 WeakPolarHBondContact O-CA 3.43Å; T320-L524 PolarHBondContact O-N 3.37Å
321	S	85.5	Confident	80.8	Confident	6 Å²	6	16.4 Å²	16.4	4%	0.042	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	171.7	173.3	60.4	0	0	0	0	112.6	K327 S453 T454 I455 L524	S321-K327 PolarHBondContact O-NZ 2.91Å; S321-K327 VanDerWaalsContact OG-CD 3.23Å; S321-K327 WeakPolarHBondContact OG-CD 3.31Å; S321-K327 WeakPolarHBondContact OG-CG 3.32Å; S321-K327 PolarHBondContact OG-NZ 2.97Å; S321-S453 PolarHBondContact N-O 2.82Å; S321-T454 CarbonylContact O-C 3.6Å; S321-T454 VanDerWaalsContact O-CA 3.28Å; S321-T454 WeakPolarHBondContact O-CA 3.29Å; S321-I455 PolarHBondContact O-N 3.39Å; S321-L524 WeakPolarHBondContact CB-O 3.3Å
322	G	80.3	Confident	83.1	Confident	16 Å²	16	12.9 Å²	12.9	17%	0.165	9%	0.088	C	C	.	.			trans	-66.2	-178.2	163.8	0	0	0	0	0	113.3	K327 N456	G322-K327 PolarHBondContact O-NZ 2.69Å; G322-N456 WeakPolarHBondContact CA-O 3.48Å
323	R	81.5	Confident	84.9	Confident	32 Å²	32	12.6 Å²	12.6	12%	0.121	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	159.7	169.3	-70.3	-166.1	153.9	133.1	1.5	111.2	E138 R325 E430 T454 Y458 E459	E138-R323 VanDerWaalsContact OE2-CB 3.3Å; E138-R323 WeakPolarHBondContact OE2-CB 3.35Å; E138-R323 WeakPolarHBondContact OE2-CD 3.49Å; R323-R325 WeakPolarHBondContact O-CG 3.3Å; R323-R325 PolarHBondContact O-N 3.25Å; R323-R325 PolarHBondContact O-NE 2.86Å; R323-R325 VanDerWaalsContact O-NE 3.17Å; R323-E430 IonicContact CZ-OE1 3.39Å; R323-E430 IonicContact NE-OE1 2.73Å; R323-E430 PolarHBondContact NE-OE1 2.78Å; R323-E430 IonicContact NH2-OE1 3.19Å; R323-E430 PolarHBondContact NH2-OE1 3.3Å; R323-T454 HydrophobicContact CG-CG2 3.46Å; R323-T454 VanDerWaalsContact CG-CG2 3.46Å; R323-Y458 VanDerWaalsContact NH1-CE1 3.25Å; R323-Y458 PolarHBondContact NH1-OH 3.47Å; R323-E459 IonicContact CZ-OE1 3.61Å; R323-E459 IonicContact NH1-OE1 3.83Å; R323-E459 PolarHBondContact NH1-OE1 3.38Å; R323-E459 IonicContact NH2-OE1 3.86Å; R323-E459 PolarHBondContact NH2-OE1 2.88Å; R323-E459 IonicContact NH2-OE2 2.79Å
324	G	79.7	Confident	86.4	Confident	19 Å²	19	9.6 Å²	9.6	20%	0.196	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-3.5	-175.5	0	0	0	0	0	117	I528 R529	G324-I528 PolarHBondContact O-N 3.46Å; G324-I528 VanDerWaalsContact O-N 3.1Å; G324-R529 PolarHBondContact O-N 2.96Å
325	R	86.5	Confident	87.4	Confident	28 Å²	28	9.4 Å²	9.4	11%	0.106	6%	0.063	C	C	.	.	S	Bend	trans	-91.4	13.7	-175.4	-41.6	-57.5	158.7	143.2	-5.7	115.6	R323 L524 T525 E526 E537	R323-R325 WeakPolarHBondContact O-CG 3.3Å; R323-R325 PolarHBondContact O-N 3.25Å; R323-R325 PolarHBondContact O-NE 2.86Å; R323-R325 VanDerWaalsContact O-NE 3.17Å; R325-L524 HydrophobicContact CB-CB 4.16Å; R325-L524 WeakPolarHBondContact O-CD1 3.33Å; R325-T525 PolarHBondContact NH1-O 2.81Å; R325-E526 WeakPolarHBondContact CD-O 2.95Å; R325-E537 IonicContact CZ-OE1 2.97Å; R325-E537 IonicContact CZ-OE2 3.28Å; R325-E537 IonicContact NH2-OE1 2.69Å; R325-E537 PolarHBondContact NH2-OE1 2.97Å; R325-E537 IonicContact NH2-OE2 3.94Å; R325-E537 PolarHBondContact NH2-OE2 3.33Å
326	G	85.2	Confident	87.9	Confident	22 Å²	22	9.3 Å²	9.3	23%	0.227	6%	0.062	C	C	.	.			trans	74.3	25.4	169.7	0	0	0	0	0	118.8	Q261 A329 A330	Q261-G326 PolarHBondContact NE2-O 2.73Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 3.09Å; G326-A330 PolarHBondContact O-N 3.24Å
327	K	87.7	Confident	88.1	Confident	17 Å²	17	9.2 Å²	9.2	7%	0.074	6%	0.062	C	C	.	.	H	α-helix	trans	-52.9	-57.9	179.5	-70.6	-170.4	-77.3	-83.9	0	113.9	V319 S321 G322 A329 A330 L331 A452 S453 T454 L524	V319-K327 HydrophobicContact CG1-CG 4.11Å; S321-K327 PolarHBondContact O-NZ 2.91Å; S321-K327 VanDerWaalsContact OG-CD 3.23Å; S321-K327 WeakPolarHBondContact OG-CD 3.31Å; S321-K327 WeakPolarHBondContact OG-CG 3.32Å; S321-K327 PolarHBondContact OG-NZ 2.97Å; G322-K327 PolarHBondContact O-NZ 2.69Å; K327-A329 PolarHBondContact O-N 2.95Å; K327-A330 WeakPolarHBondContact O-CB 3.3Å; K327-A330 PolarHBondContact O-N 2.99Å; K327-L331 PolarHBondContact O-N 2.98Å; K327-A452 HydrophobicContact CB-CB 4.27Å; K327-A452 HydrophobicContact CD-CB 4.16Å; K327-S453 WeakPolarHBondContact CD-O 3.33Å; K327-S453 WeakPolarHBondContact CE-O 3.5Å; K327-S453 PolarHBondContact NZ-O 2.81Å; K327-T454 VanDerWaalsContact NZ-CG2 3.31Å; K327-L524 HydrophobicContact CG-CD1 4.17Å
328	S	88.2	Confident	88.1	Confident	27 Å²	27	9.2 Å²	9.2	19%	0.189	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-29.7	-176.4	-46.7	0	0	0	0	112.3	G332 T358 L359 D429	S328-G332 PolarHBondContact O-N 2.94Å; S328-T358 WeakPolarHBondContact CB-OG1 3.37Å; S328-L359 WeakPolarHBondContact O-CA 3.37Å; S328-D429 VanDerWaalsContact CB-OD2 3.23Å; S328-D429 WeakPolarHBondContact CB-OD2 3.48Å; S328-D429 PolarHBondContact OG-OD2 3.45Å
329	A	89.7	Confident	88.1	Confident	8 Å²	8	9.1 Å²	9.1	7%	0.066	6%	0.061	C	C	.	.	H	α-helix	trans	-70.4	-44.9	171.9	0	0	0	0	0	112.3	G326 K327 L331 G332 L333 F362	G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 3.09Å; K327-A329 PolarHBondContact O-N 2.95Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 3.38Å; A329-G332 PolarHBondContact O-N 3.46Å; A329-L333 WeakPolarHBondContact O-CG 3.35Å; A329-L333 PolarHBondContact O-N 3.5Å; A329-F362 HydrophobicContact CB-CB 4.48Å; A329-F362 HydrophobicContact CB-CD1 3.9Å; A329-F362 HydrophobicContact CB-CD2 3.44Å; A329-F362 VanDerWaalsContact CB-CD2 3.44Å; A329-F362 HydrophobicContact CB-CE1 3.94Å; A329-F362 HydrophobicContact CB-CE2 3.5Å; A329-F362 VanDerWaalsContact CB-CE2 3.5Å; A329-F362 HydrophobicContact CB-CG 3.66Å; A329-F362 HydrophobicContact CB-CZ 3.75Å
330	A	91.1	Very high	87.9	Confident	2 Å²	2	11.2 Å²	11.2	2%	0.017	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-40.5	174.9	0	0	0	0	0	112	Q261 F268 G326 K327 G334	Q261-A330 HydrophobicContact CG-CB 4.43Å; F268-A330 HydrophobicContact CE2-CB 4.38Å; F268-A330 WeakPolarHBondContact CE2-O 3.1Å; G326-A330 PolarHBondContact O-N 3.24Å; K327-A330 WeakPolarHBondContact O-CB 3.3Å; K327-A330 PolarHBondContact O-N 2.99Å; A330-G334 PolarHBondContact O-N 3.14Å
331	L	92.2	Very high	87.7	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-44.7	171.8	-76	-179	0	0	0	112.3	F268 K327 A329 L333 G334 L335 L359 D429 F450 A452	F268-L331 HydrophobicContact CE1-CD2 4.14Å; F268-L331 HydrophobicContact CZ-CD2 3.71Å; K327-L331 PolarHBondContact O-N 2.98Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 3.38Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 3.33Å; L331-G334 CarbonylContact O-C 3.56Å; L331-G334 PolarHBondContact O-N 3.42Å; L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 WeakPolarHBondContact O-CG 3.09Å; L331-L335 PolarHBondContact O-N 3.36Å; L331-L359 HydrophobicContact CB-CD1 3.72Å; L331-L359 HydrophobicContact CB-CG 4.42Å; L331-L359 HydrophobicContact CD1-CD1 3.93Å; L331-D429 HydrophobicContact CD1-CB 3.95Å; L331-F450 HydrophobicContact CD2-CB 3.88Å; L331-A452 HydrophobicContact CD1-CB 3.4Å; L331-A452 VanDerWaalsContact CD1-CB 3.4Å; L331-A452 HydrophobicContact CG-CB 4.12Å
332	G	93.2	Very high	87.5	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.7	-42.6	178.5	0	0	0	0	0	112.5	S328 A329 L335 A336 V363	S328-G332 PolarHBondContact O-N 2.94Å; A329-G332 PolarHBondContact O-N 3.46Å; G332-L335 PolarHBondContact O-N 2.61Å; G332-A336 PolarHBondContact O-N 2.87Å; G332-V363 WeakPolarHBondContact O-CG2 3.09Å
333	L	92.4	Very high	87.5	Confident	3 Å²	3	12.7 Å²	12.7	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-68.7	-37.3	173.3	-63.4	174.1	0	0	0	112.3	L252 L255 L265 A329 L331 L335 A336 A337 F362	L252-L333 WeakPolarHBondContact CD1-O 3.36Å; L252-L333 HydrophobicContact CD2-CD2 4.1Å; L255-L333 HydrophobicContact CB-CD1 4.43Å; L255-L333 HydrophobicContact CB-CD2 4.38Å; L255-L333 HydrophobicContact CD1-CD2 3.65Å; L265-L333 HydrophobicContact CD1-CB 3.57Å; L265-L333 HydrophobicContact CD1-CD1 4.17Å; L265-L333 HydrophobicContact CD1-CG 4.48Å; A329-L333 WeakPolarHBondContact O-CG 3.35Å; A329-L333 PolarHBondContact O-N 3.5Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 3.33Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 3.2Å; L333-A336 WeakPolarHBondContact O-CB 3.23Å; L333-A336 PolarHBondContact O-N 2.77Å; L333-A337 PolarHBondContact O-N 3.34Å; L333-F362 HydrophobicContact CD2-CD1 4.46Å; L333-F362 HydrophobicContact CG-CD1 4.38Å
334	G	91.4	Very high	87.6	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-31.5	172.6	0	0	0	0	0	113.6	A330 L331 A338	A330-G334 PolarHBondContact O-N 3.14Å; L331-G334 CarbonylContact O-C 3.56Å; L331-G334 PolarHBondContact O-N 3.42Å; G334-A338 PolarHBondContact O-N 2.88Å; G334-A338 VanDerWaalsContact O-N 3.08Å
335	L	92.6	Very high	87.9	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-75.8	-35.1	172.6	-77	166.4	0	0	0	112.4	L331 G332 L333 A337 A338 F339 V348 L359 V363 L406 L425 C427	L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 WeakPolarHBondContact O-CG 3.09Å; L331-L335 PolarHBondContact O-N 3.36Å; G332-L335 PolarHBondContact O-N 2.61Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 3.2Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A338 WeakPolarHBondContact O-CB 3.33Å; L335-A338 PolarHBondContact O-N 2.89Å; L335-F339 WeakPolarHBondContact O-CD2 3.31Å; L335-F339 PolarHBondContact O-N 2.72Å; L335-V348 HydrophobicContact CD1-CG2 3.6Å; L335-L359 HydrophobicContact CD1-CD1 4.34Å; L335-L359 HydrophobicContact CD1-CD2 3.71Å; L335-L359 HydrophobicContact CD1-CG 4.29Å; L335-V363 HydrophobicContact CB-CG2 3.83Å; L335-V363 HydrophobicContact CD1-CG2 4.21Å; L335-L406 HydrophobicContact CD1-CD2 4.44Å; L335-L425 HydrophobicContact CD2-CD2 3.71Å; L335-C427 HydrophobicContact CD1-CB 4.19Å; L335-C427 HydrophobicContact CD2-CB 4.12Å; L335-C427 HydrophobicContact CG-CB 4.49Å
336	A	92	Very high	88.1	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-42.7	168.1	0	0	0	0	0	111	L252 G332 L333 A338 F339 E340 F370	L252-A336 HydrophobicContact CD1-CB 4.39Å; L252-A336 HydrophobicContact CD2-CB 3.98Å; G332-A336 PolarHBondContact O-N 2.87Å; L333-A336 WeakPolarHBondContact O-CB 3.23Å; L333-A336 PolarHBondContact O-N 2.77Å; A336-A338 VanDerWaalsContact C-N 3.29Å; A336-A338 PolarHBondContact O-N 2.98Å; A336-F339 WeakPolarHBondContact O-CB 3.37Å; A336-F339 PolarHBondContact O-N 3.24Å; A336-E340 PolarHBondContact O-N 2.95Å; A336-E340 VanDerWaalsContact O-N 3.07Å; A336-F370 HydrophobicContact CB-CE2 4.25Å; A336-F370 WeakPolarHBondContact O-CE2 3.49Å
337	A	88.9	Confident	88.4	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.4	-36.8	172.6	0	0	0	0	0	112.5	F249 L252 L272 L333 L335 E340 T341	F249-A337 HydrophobicContact CD1-CB 4.03Å; F249-A337 HydrophobicContact CE1-CB 4Å; L252-A337 HydrophobicContact CD1-CB 3.75Å; L272-A337 HydrophobicContact CD1-CB 3.92Å; L333-A337 PolarHBondContact O-N 3.34Å; L335-A337 VanDerWaalsContact C-N 3.32Å; A337-E340 PolarHBondContact O-N 3.41Å; A337-T341 PolarHBondContact O-N 3.14Å; A337-T341 PolarHBondContact O-OG1 3.02Å
338	A	89.1	Confident	88.7	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.9	-32.8	176.1	0	0	0	0	0	113.9	L272 G334 L335 A336 T341 M343 L346 L425	L272-A338 HydrophobicContact CD1-CB 4.17Å; L272-A338 HydrophobicContact CD2-CB 4.06Å; G334-A338 PolarHBondContact O-N 2.88Å; G334-A338 VanDerWaalsContact O-N 3.08Å; L335-A338 WeakPolarHBondContact O-CB 3.33Å; L335-A338 PolarHBondContact O-N 2.89Å; A336-A338 VanDerWaalsContact C-N 3.29Å; A336-A338 PolarHBondContact O-N 2.98Å; A338-T341 PolarHBondContact O-OG1 3.18Å; A338-M343 HydrophobicContact CB-CE 3.63Å; A338-M343 PolarHBondContact O-N 3.42Å; A338-L346 HydrophobicContact CB-CD1 4.37Å; A338-L346 HydrophobicContact CB-CD2 4.35Å; A338-L425 HydrophobicContact CB-CD2 3.58Å
339	F	88.6	Confident	88.8	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.009	7%	0.065	C	C	.	.	H	α-helix	trans	-63	-47.8	167.2	-83.5	-69.8	0	0	0	110.5	L335 A336 T341 G342 L346 V363 L367 I395 V397 R399 Q404 L406	L335-F339 WeakPolarHBondContact O-CD2 3.31Å; L335-F339 PolarHBondContact O-N 2.72Å; A336-F339 WeakPolarHBondContact O-CB 3.37Å; A336-F339 PolarHBondContact O-N 3.24Å; F339-T341 VanDerWaalsContact C-N 3.35Å; F339-T341 PolarHBondContact O-N 2.85Å; F339-G342 PolarHBondContact O-N 3.17Å; F339-L346 HydrophobicContact CD1-CD1 3.98Å; F339-L346 HydrophobicContact CD2-CD1 3.94Å; F339-L346 HydrophobicContact CE1-CD1 3.93Å; F339-L346 HydrophobicContact CE2-CD1 3.89Å; F339-L346 HydrophobicContact CG-CD1 3.99Å; F339-L346 HydrophobicContact CZ-CD1 3.91Å; F339-V363 HydrophobicContact CD2-CG1 4.19Å; F339-V363 HydrophobicContact CE2-CG1 3.84Å; F339-L367 HydrophobicContact CB-CD2 4.13Å; F339-L367 HydrophobicContact CD2-CD2 4.26Å; F339-L367 HydrophobicContact CG-CD2 4.28Å; F339-I395 HydrophobicContact CZ-CG2 4.45Å; F339-V397 HydrophobicContact CD1-CB 4.03Å; F339-V397 HydrophobicContact CD1-CG2 3.61Å; F339-V397 HydrophobicContact CE1-CB 3.94Å; F339-V397 HydrophobicContact CE1-CG2 3.36Å; F339-V397 HydrophobicContact CE2-CG2 4.49Å; F339-V397 HydrophobicContact CG-CG2 4.28Å; F339-V397 HydrophobicContact CZ-CG2 3.84Å; F339-R399 PolarHBondContact O-NH1 3.4Å; F339-Q404 HydrophobicContact CD1-CB 3.75Å; F339-Q404 HydrophobicContact CD1-CG 4.49Å; F339-Q404 HydrophobicContact CE1-CB 3.72Å; F339-Q404 PolarHBondContact O-NE2 2.95Å; F339-Q404 PolarHBondContact O-OE1 3Å; F339-L406 HydrophobicContact CE2-CB 3.9Å; F339-L406 HydrophobicContact CE2-CD2 4.24Å; F339-L406 HydrophobicContact CZ-CB 3.53Å
340	E	84.8	Confident	88.6	Confident	43 Å²	43	11.1 Å²	11.1	20%	0.201	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-38.1	-178.6	-169.7	47.4	-120	0	0	112.7	A336 A337 G342 F370 Y372 R399	A336-E340 PolarHBondContact O-N 2.95Å; A336-E340 VanDerWaalsContact O-N 3.07Å; A337-E340 PolarHBondContact O-N 3.41Å; E340-G342 PolarHBondContact O-N 2.8Å; E340-G342 VanDerWaalsContact O-N 3.15Å; E340-F370 HydrophobicContact CB-CD2 4.37Å; E340-F370 HydrophobicContact CB-CE2 3.73Å; E340-F370 HydrophobicContact CB-CZ 3.83Å; E340-F370 HydrophobicContact CG-CE1 4.25Å; E340-F370 HydrophobicContact CG-CE2 4.23Å; E340-F370 HydrophobicContact CG-CZ 3.97Å; E340-Y372 PolarHBondContact OE2-OH 3.19Å; E340-R399 PolarHBondContact O-NH1 3.49Å; E340-R399 PolarHBondContact O-NH2 3.12Å; E340-R399 IonicContact OE1-CZ 3.84Å; E340-R399 IonicContact OE1-NH2 2.72Å; E340-R399 PolarHBondContact OE1-NH2 3.04Å; E340-R399 IonicContact OE2-NH2 2.95Å; E340-R399 PolarHBondContact OE2-NH2 2.91Å
341	T	82.1	Confident	88.1	Confident	41 Å²	41	13.8 Å²	13.8	25%	0.252	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.3	173.4	60.3	0	0	0	0	114.8	F249 L272 A337 A338 F339	F249-T341 HydrophobicContact CE1-CG2 4.18Å; F249-T341 HydrophobicContact CZ-CG2 3.89Å; L272-T341 HydrophobicContact CB-CG2 4.1Å; L272-T341 HydrophobicContact CD1-CG2 4.41Å; A337-T341 PolarHBondContact O-N 3.14Å; A337-T341 PolarHBondContact O-OG1 3.02Å; A338-T341 PolarHBondContact O-OG1 3.18Å; F339-T341 VanDerWaalsContact C-N 3.35Å; F339-T341 PolarHBondContact O-N 2.85Å
342	G	79.7	Confident	87.5	Confident	13 Å²	13	15.4 Å²	15.4	13%	0.134	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	23.9	171.1	0	0	0	0	0	115.9	F339 E340 H402	F339-G342 PolarHBondContact O-N 3.17Å; E340-G342 PolarHBondContact O-N 2.8Å; E340-G342 VanDerWaalsContact O-N 3.15Å; G342-H402 PolarHBondContact O-CE1 3.34Å; G342-H402 PolarHBondContact O-NE2 2.88Å
343	M	81.2	Confident	87.1	Confident	10 Å²	10	15.7 Å²	15.7	5%	0.049	9%	0.093	C	C	.	.			trans	-77.3	133.5	173.8	-69.4	-170.1	-55.1	0	0	111.2	L272 A338 L346 Q404 D424 L425 I448	L272-M343 HydrophobicContact CD2-CE 3.37Å; L272-M343 HydrophobicContact CD2-SD 4.36Å; A338-M343 HydrophobicContact CB-CE 3.63Å; A338-M343 PolarHBondContact O-N 3.42Å; M343-L346 HydrophobicContact CB-CD2 3.77Å; M343-L346 HydrophobicContact CE-CD2 4.04Å; M343-Q404 WeakPolarHBondContact O-CG 3.22Å; M343-Q404 PolarHBondContact O-NE2 3.45Å; M343-D424 HydrophobicContact SD-CB 4.46Å; M343-L425 HydrophobicContact CE-CB 3.7Å; M343-L425 HydrophobicContact CE-CD2 3.82Å; M343-L425 HydrophobicContact CE-CG 4.26Å; M343-L425 HydrophobicContact SD-CB 4.46Å; M343-I448 HydrophobicContact CE-CD1 4.2Å; M343-I448 HydrophobicContact SD-CD1 3.66Å
344	P	82.7	Confident	86.4	Confident	34 Å²	34	17 Å²	17	22%	0.221	10%	0.099	C	C	.	.	S	Bend	trans	-82.2	-45.7	-173.9	29.9	-33.1	0	0	0	113.9	Q404 S405 D424	P344-Q404 WeakPolarHBondContact O-CA 3.28Å; P344-S405 PolarHBondContact O-N 2.78Å; P344-D424 WeakPolarHBondContact CD-OD2 3.45Å; P344-D424 WeakPolarHBondContact CG-OD2 3.49Å
345	N	86.8	Confident	85.7	Confident	54 Å²	54	19.5 Å²	19.5	29%	0.289	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	90.8	-168.5	-64.9	-17.7	0	0	0	111.2	Y347 Q422 D424	N345-Y347 HydrophobicContact CB-CE2 4.04Å; N345-Q422 VanDerWaalsContact CB-O 3.26Å; N345-Q422 WeakPolarHBondContact CB-O 3.4Å; N345-Q422 PolarHBondContact ND2-O 3.03Å; N345-D424 PolarHBondContact N-OD2 3.06Å; N345-D424 PolarHBondContact O-N 3.47Å
346	L	91	Very high	85.4	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129	178.7	-45.5	-177.8	0	0	0	109.7	A338 F339 M343 S405 L406 I407 L425	A338-L346 HydrophobicContact CB-CD1 4.37Å; A338-L346 HydrophobicContact CB-CD2 4.35Å; F339-L346 HydrophobicContact CD1-CD1 3.98Å; F339-L346 HydrophobicContact CD2-CD1 3.94Å; F339-L346 HydrophobicContact CE1-CD1 3.93Å; F339-L346 HydrophobicContact CE2-CD1 3.89Å; F339-L346 HydrophobicContact CG-CD1 3.99Å; F339-L346 HydrophobicContact CZ-CD1 3.91Å; M343-L346 HydrophobicContact CB-CD2 3.77Å; M343-L346 HydrophobicContact CE-CD2 4.04Å; L346-S405 PolarHBondContact N-O 3.45Å; L346-S405 VanDerWaalsContact N-O 3.08Å; L346-S405 VanDerWaalsContact O-O 3.09Å; L346-L406 HydrophobicContact CB-CB 4.27Å; L346-L406 HydrophobicContact CB-CD1 3.93Å; L346-L406 WeakPolarHBondContact O-CA 3.48Å; L346-I407 PolarHBondContact O-N 2.97Å; L346-L425 HydrophobicContact CD2-CB 3.91Å; L346-L425 HydrophobicContact CD2-CD2 4.13Å
347	Y	91.9	Very high	85.2	Confident	30 Å²	30	21.5 Å²	21.5	12%	0.118	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.2	176.8	-64.9	-81.7	0	0	0	111.2	N345 I407 L409 M414 A423 L425 V426 C427	N345-Y347 HydrophobicContact CB-CE2 4.04Å; Y347-I407 WeakPolarHBondContact CA-O 3.4Å; Y347-I407 HydrophobicContact CD1-CB 4.01Å; Y347-I407 HydrophobicContact CD1-CG2 4.43Å; Y347-I407 HydrophobicContact CE1-CB 4.1Å; Y347-I407 HydrophobicContact CE1-CD1 4.05Å; Y347-I407 HydrophobicContact CE1-CG2 4.45Å; Y347-L409 HydrophobicContact CD1-CD1 3.35Å; Y347-L409 HydrophobicContact CD1-CG 3.88Å; Y347-L409 HydrophobicContact CE1-CD1 3.65Å; Y347-L409 HydrophobicContact CE1-CG 4.33Å; Y347-L409 HydrophobicContact CG-CD1 4.21Å; Y347-M414 HydrophobicContact CG-SD 4.23Å; Y347-A423 HydrophobicContact CD2-CB 3.4Å; Y347-A423 HydrophobicContact CE2-CB 3.59Å; Y347-L425 PolarHBondContact N-O 2.68Å; Y347-V426 CarbonylContact O-C 3.48Å; Y347-V426 WeakPolarHBondContact O-CA 3.21Å; Y347-C427 PolarHBondContact O-N 2.74Å
348	V	92.4	Very high	85.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.2	171.3	162.7	0	0	0	0	109.3	L335 L356 L359 M360 L406 I407 Y408 L409 C427	L335-V348 HydrophobicContact CD1-CG2 3.6Å; V348-L356 HydrophobicContact CG1-CD1 3.44Å; V348-L356 VanDerWaalsContact CG1-CD1 3.44Å; V348-L356 HydrophobicContact CG1-CD2 3.46Å; V348-L356 VanDerWaalsContact CG1-CD2 3.46Å; V348-L356 HydrophobicContact CG1-CG 4.06Å; V348-L359 HydrophobicContact CG1-CD2 4.41Å; V348-L359 HydrophobicContact CG2-CD2 4.13Å; V348-M360 HydrophobicContact CB-CE 4.29Å; V348-M360 HydrophobicContact CG1-CE 4.32Å; V348-L406 HydrophobicContact CB-CD1 4.14Å; V348-L406 HydrophobicContact CG2-CD1 3.59Å; V348-I407 PolarHBondContact N-O 3.17Å; V348-Y408 WeakPolarHBondContact O-CA 3.21Å; V348-Y408 WeakPolarHBondContact O-CD2 3.24Å; V348-L409 PolarHBondContact O-N 3.25Å; V348-C427 CarbonylContact C-O 3.54Å; V348-C427 VanDerWaalsContact CA-O 3.31Å; V348-C427 WeakPolarHBondContact CA-O 3.29Å; V348-C427 HydrophobicContact CG2-CB 3.67Å
349	T	90.6	Very high	85.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.8	174.6	165.6	0	0	0	0	110.9	L409 M414 V426 C427 V428 D429	T349-L409 WeakPolarHBondContact CA-O 3.36Å; T349-L409 WeakPolarHBondContact CB-O 3.44Å; T349-M414 HydrophobicContact CG2-CG 4.15Å; T349-V426 HydrophobicContact CG2-CG1 4.24Å; T349-C427 WeakPolarHBondContact CG2-O 3.42Å; T349-C427 PolarHBondContact N-O 3.22Å; T349-V428 HydrophobicContact CG2-CB 4.24Å; T349-V428 HydrophobicContact CG2-CG1 4.17Å; T349-V428 HydrophobicContact CG2-CG2 3.82Å; T349-D429 PolarHBondContact O-N 2.89Å; T349-D429 VanDerWaalsContact O-N 3.14Å
350	A	86.5	Confident	85.3	Confident	1 Å²	1	23 Å²	23	1%	0.008	13%	0.133	C	C	.	.			trans	-158.2	161.4	174.9	0	0	0	0	0	108.9	S352 L356 Y408	A350-S352 PolarHBondContact O-N 3.24Å; A350-S352 VanDerWaalsContact O-N 3.15Å; A350-L356 HydrophobicContact CB-CD1 3.75Å; A350-L356 HydrophobicContact CB-CD2 3.77Å; A350-L356 HydrophobicContact CB-CG 3.65Å; A350-Y408 HydrophobicContact CB-CE2 4.48Å; A350-Y408 PolarHBondContact O-OH 3.43Å
351	P	79.8	Confident	85.6	Confident	58 Å²	58	26 Å²	26	38%	0.377	15%	0.147	S	C	.	.	S	Bend	trans	-59	-26.2	-178.8	-24	32.8	0	0	0	115.2	A433 I434	P351-A433 HydrophobicContact CG-CB 3.52Å; P351-I434 HydrophobicContact CG-CG1 4.36Å
352	S	80.5	Confident	86.1	Confident	34 Å²	34	27.2 Å²	27.2	24%	0.238	15%	0.148	C	C	.	.			trans	-148	154.1	173.5	69.5	0	0	0	0	110.2	A350 E354 N355	A350-S352 PolarHBondContact O-N 3.24Å; A350-S352 VanDerWaalsContact O-N 3.15Å; S352-E354 VanDerWaalsContact C-N 3.27Å; S352-E354 PolarHBondContact O-N 3.29Å; S352-N355 PolarHBondContact OG-OD1 3.3Å
353	P	83.3	Confident	86.7	Confident	7 Å²	7	26.6 Å²	26.6	5%	0.045	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.3	175.5	27.4	-33.9	0	0	0	112.7	N355 L356 H388 A391 Y408	P353-N355 VanDerWaalsContact C-N 3.32Å; P353-N355 PolarHBondContact O-N 3.22Å; P353-L356 WeakPolarHBondContact O-CB 3.37Å; P353-L356 PolarHBondContact O-N 3.17Å; P353-L356 VanDerWaalsContact O-N 3.15Å; P353-H388 HydrophobicContact CG-CB 3.97Å; P353-A391 HydrophobicContact CB-CB 4.15Å; P353-Y408 HydrophobicContact CB-CD1 3.99Å; P353-Y408 HydrophobicContact CB-CE1 3.79Å; P353-Y408 HydrophobicContact CG-CE1 4.13Å
354	E	79.3	Confident	87.3	Confident	31 Å²	31	27.1 Å²	27.1	15%	0.145	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-39.2	-179.4	-57.6	-158.3	128.7	0	0	112.7	S352 L356 N357 N389	S352-E354 VanDerWaalsContact C-N 3.27Å; S352-E354 PolarHBondContact O-N 3.29Å; E354-L356 PolarHBondContact O-N 2.94Å; E354-N357 WeakPolarHBondContact O-CB 3.48Å; E354-N357 PolarHBondContact O-N 3.14Å; E354-N357 PolarHBondContact O-ND2 3.18Å; E354-N389 WeakPolarHBondContact OE1-CB 3.34Å; E354-N389 PolarHBondContact OE1-ND2 3.02Å
355	N	76.9	Confident	87.8	Confident	51 Å²	51	29 Å²	29	27%	0.273	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33	178	-67	-5.9	0	0	0	111.6	S352 P353 N357	S352-N355 PolarHBondContact OG-OD1 3.3Å; P353-N355 VanDerWaalsContact C-N 3.32Å; P353-N355 PolarHBondContact O-N 3.22Å; N355-N357 VanDerWaalsContact C-N 3.3Å; N355-N357 PolarHBondContact O-N 3.42Å
356	L	85.5	Confident	88	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.9	-177.3	-65.3	171.1	0	0	0	113.9	V348 A350 P353 E354 T358 L359 M360 Y408 D429	V348-L356 HydrophobicContact CG1-CD1 3.44Å; V348-L356 VanDerWaalsContact CG1-CD1 3.44Å; V348-L356 HydrophobicContact CG1-CD2 3.46Å; V348-L356 VanDerWaalsContact CG1-CD2 3.46Å; V348-L356 HydrophobicContact CG1-CG 4.06Å; A350-L356 HydrophobicContact CB-CD1 3.75Å; A350-L356 HydrophobicContact CB-CD2 3.77Å; A350-L356 HydrophobicContact CB-CG 3.65Å; P353-L356 WeakPolarHBondContact O-CB 3.37Å; P353-L356 PolarHBondContact O-N 3.17Å; P353-L356 VanDerWaalsContact O-N 3.15Å; E354-L356 PolarHBondContact O-N 2.94Å; L356-T358 PolarHBondContact O-N 3.11Å; L356-L359 HydrophobicContact CD2-CB 4.32Å; L356-L359 HydrophobicContact CD2-CD1 4.04Å; L356-L359 HydrophobicContact CD2-CD2 4.49Å; L356-L359 PolarHBondContact O-N 3.37Å; L356-M360 HydrophobicContact CB-CG 4.45Å; L356-M360 WeakPolarHBondContact O-CG 3.23Å; L356-M360 PolarHBondContact O-N 2.96Å; L356-Y408 HydrophobicContact CD1-CD2 3.2Å; L356-Y408 HydrophobicContact CD1-CE2 3.48Å; L356-Y408 VanDerWaalsContact CD1-CE2 3.48Å; L356-Y408 HydrophobicContact CD1-CG 4.12Å; L356-D429 HydrophobicContact CD2-CB 4Å
357	N	86.8	Confident	88.1	Confident	41 Å²	41	26.5 Å²	26.5	22%	0.219	14%	0.14	C	C	.	.	H	α-helix	trans	-52.8	-40.7	178.2	-81.8	-43.6	0	0	0	112.4	E354 N355 Q361 A391	E354-N357 WeakPolarHBondContact O-CB 3.48Å; E354-N357 PolarHBondContact O-N 3.14Å; E354-N357 PolarHBondContact O-ND2 3.18Å; N355-N357 VanDerWaalsContact C-N 3.3Å; N355-N357 PolarHBondContact O-N 3.42Å; N357-Q361 WeakPolarHBondContact O-CB 3.05Å; N357-Q361 WeakPolarHBondContact O-CG 3.4Å; N357-Q361 PolarHBondContact O-N 3.35Å; N357-A391 WeakPolarHBondContact OD1-CA 3.25Å; N357-A391 VanDerWaalsContact OD1-CB 3.27Å; N357-A391 WeakPolarHBondContact OD1-CB 3.43Å
358	T	87	Confident	88.1	Confident	34 Å²	34	28.5 Å²	28.5	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-45.4	176.6	63.4	0	0	0	0	111.9	S328 L356 M360 Q361 F362	S328-T358 WeakPolarHBondContact CB-OG1 3.37Å; L356-T358 PolarHBondContact O-N 3.11Å; T358-M360 PolarHBondContact O-N 2.84Å; T358-Q361 PolarHBondContact O-N 3.31Å; T358-F362 VanDerWaalsContact O-CD2 3.31Å; T358-F362 WeakPolarHBondContact O-CD2 3.32Å; T358-F362 PolarHBondContact O-N 3.11Å
359	L	91.1	Very high	88	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-49.5	177	179.2	151.4	0	0	0	111.3	S328 L331 L335 V348 L356 Q361 F362 V363 D429	S328-L359 WeakPolarHBondContact O-CA 3.37Å; L331-L359 HydrophobicContact CB-CD1 3.72Å; L331-L359 HydrophobicContact CB-CG 4.42Å; L331-L359 HydrophobicContact CD1-CD1 3.93Å; L335-L359 HydrophobicContact CD1-CD1 4.34Å; L335-L359 HydrophobicContact CD1-CD2 3.71Å; L335-L359 HydrophobicContact CD1-CG 4.29Å; V348-L359 HydrophobicContact CG1-CD2 4.41Å; V348-L359 HydrophobicContact CG2-CD2 4.13Å; L356-L359 HydrophobicContact CD2-CB 4.32Å; L356-L359 HydrophobicContact CD2-CD1 4.04Å; L356-L359 HydrophobicContact CD2-CD2 4.49Å; L356-L359 PolarHBondContact O-N 3.37Å; L359-Q361 PolarHBondContact O-N 3.35Å; L359-F362 PolarHBondContact O-N 3.14Å; L359-F362 VanDerWaalsContact O-N 3.11Å; L359-V363 HydrophobicContact CD2-CG2 4.26Å; L359-V363 WeakPolarHBondContact O-CG2 3.22Å; L359-V363 PolarHBondContact O-N 3.45Å; L359-D429 HydrophobicContact CD1-CB 4.27Å
360	M	91.3	Very high	87.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-37	-179.9	-64.3	-64.3	-174.1	0	0	112.2	V348 L356 T358 F362 V363 V364 I392 I395 L406	V348-M360 HydrophobicContact CB-CE 4.29Å; V348-M360 HydrophobicContact CG1-CE 4.32Å; L356-M360 HydrophobicContact CB-CG 4.45Å; L356-M360 WeakPolarHBondContact O-CG 3.23Å; L356-M360 PolarHBondContact O-N 2.96Å; T358-M360 PolarHBondContact O-N 2.84Å; M360-F362 VanDerWaalsContact C-N 3.33Å; M360-F362 PolarHBondContact O-N 3.21Å; M360-V363 WeakPolarHBondContact O-CB 3.31Å; M360-V363 PolarHBondContact O-N 3.33Å; M360-V364 WeakPolarHBondContact O-CG2 3.08Å; M360-V364 PolarHBondContact O-N 3.35Å; M360-I392 HydrophobicContact CB-CB 3.82Å; M360-I392 HydrophobicContact CB-CD1 3.92Å; M360-I392 HydrophobicContact CB-CG1 4.43Å; M360-I392 HydrophobicContact CB-CG2 4Å; M360-I392 HydrophobicContact CG-CB 4Å; M360-I392 HydrophobicContact CG-CG2 4.04Å; M360-I392 HydrophobicContact SD-CG2 4.27Å; M360-I395 HydrophobicContact SD-CD1 4.25Å; M360-L406 HydrophobicContact CE-CD2 4.27Å; M360-L406 HydrophobicContact CE-CG 4.35Å; M360-L406 HydrophobicContact SD-CD2 3.75Å; M360-L406 HydrophobicContact SD-CG 4.38Å
361	Q	90.6	Very high	87.9	Confident	106 Å²	106	38.7 Å²	38.7	50%	0.495	20%	0.204	S	C	.	.	H	α-helix	trans	-61.3	-39.9	170.9	-76.3	167	0.4	0	0	111.9	N357 T358 L359 V364 N365	N357-Q361 WeakPolarHBondContact O-CB 3.05Å; N357-Q361 WeakPolarHBondContact O-CG 3.4Å; N357-Q361 PolarHBondContact O-N 3.35Å; T358-Q361 PolarHBondContact O-N 3.31Å; L359-Q361 PolarHBondContact O-N 3.35Å; Q361-V364 PolarHBondContact O-N 2.83Å; Q361-N365 WeakPolarHBondContact O-CB 3.16Å; Q361-N365 PolarHBondContact O-N 2.77Å; Q361-N365 PolarHBondContact O-ND2 3.13Å
362	F	92.5	Very high	88.3	Confident	65 Å²	65	37.8 Å²	37.8	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-72.9	-26.5	175.6	-84.2	-78.7	0	0	0	113.8	A329 L333 T358 L359 M360 G366	A329-F362 HydrophobicContact CB-CB 4.48Å; A329-F362 HydrophobicContact CB-CD1 3.9Å; A329-F362 HydrophobicContact CB-CD2 3.44Å; A329-F362 VanDerWaalsContact CB-CD2 3.44Å; A329-F362 HydrophobicContact CB-CE1 3.94Å; A329-F362 HydrophobicContact CB-CE2 3.5Å; A329-F362 VanDerWaalsContact CB-CE2 3.5Å; A329-F362 HydrophobicContact CB-CG 3.66Å; A329-F362 HydrophobicContact CB-CZ 3.75Å; L333-F362 HydrophobicContact CD2-CD1 4.46Å; L333-F362 HydrophobicContact CG-CD1 4.38Å; T358-F362 VanDerWaalsContact O-CD2 3.31Å; T358-F362 WeakPolarHBondContact O-CD2 3.32Å; T358-F362 PolarHBondContact O-N 3.11Å; L359-F362 PolarHBondContact O-N 3.14Å; L359-F362 VanDerWaalsContact O-N 3.11Å; M360-F362 VanDerWaalsContact C-N 3.33Å; M360-F362 PolarHBondContact O-N 3.21Å; F362-G366 PolarHBondContact O-N 2.86Å
363	V	93.9	Very high	88.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-51.8	166.4	177.4	0	0	0	0	110.2	G332 L335 F339 L359 M360 N365 G366 L367 I395 L406	G332-V363 WeakPolarHBondContact O-CG2 3.09Å; L335-V363 HydrophobicContact CB-CG2 3.83Å; L335-V363 HydrophobicContact CD1-CG2 4.21Å; F339-V363 HydrophobicContact CD2-CG1 4.19Å; F339-V363 HydrophobicContact CE2-CG1 3.84Å; L359-V363 HydrophobicContact CD2-CG2 4.26Å; L359-V363 WeakPolarHBondContact O-CG2 3.22Å; L359-V363 PolarHBondContact O-N 3.45Å; M360-V363 WeakPolarHBondContact O-CB 3.31Å; M360-V363 PolarHBondContact O-N 3.33Å; V363-N365 PolarHBondContact O-N 2.89Å; V363-G366 WeakPolarHBondContact O-CA 2.97Å; V363-G366 PolarHBondContact O-N 3.16Å; V363-G366 VanDerWaalsContact O-N 3.07Å; V363-L367 HydrophobicContact CG1-CD1 4.28Å; V363-L367 PolarHBondContact O-N 3Å; V363-I395 HydrophobicContact CB-CD1 4.2Å; V363-I395 HydrophobicContact CG1-CD1 3.86Å; V363-L406 HydrophobicContact CG1-CD2 4.23Å; V363-L406 HydrophobicContact CG2-CD2 4.02Å
364	V	93.3	Very high	88.9	Confident	21 Å²	21	45 Å²	45	13%	0.127	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-44.3	179.2	171.8	0	0	0	0	111.4	M360 Q361 G366 L367 N368 Y378 V380 I395	M360-V364 WeakPolarHBondContact O-CG2 3.08Å; M360-V364 PolarHBondContact O-N 3.35Å; Q361-V364 PolarHBondContact O-N 2.83Å; V364-G366 VanDerWaalsContact C-N 3.27Å; V364-G366 PolarHBondContact O-N 3.37Å; V364-L367 PolarHBondContact O-N 3.29Å; V364-N368 WeakPolarHBondContact O-CB 3.41Å; V364-N368 VanDerWaalsContact O-CG 3.23Å; V364-N368 PolarHBondContact O-N 3.21Å; V364-N368 PolarHBondContact O-ND2 3.1Å; V364-Y378 HydrophobicContact CG1-CE2 4.43Å; V364-V380 HydrophobicContact CG2-CG2 4.17Å; V364-I395 HydrophobicContact CG2-CD1 3.95Å
365	N	92.8	Very high	89.3	Confident	75 Å²	75	50.4 Å²	50.4	40%	0.401	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-34.4	174.8	-68.8	-22.3	0	0	0	112.6	Q361 V363 A369	Q361-N365 WeakPolarHBondContact O-CB 3.16Å; Q361-N365 PolarHBondContact O-N 2.77Å; Q361-N365 PolarHBondContact O-ND2 3.13Å; V363-N365 PolarHBondContact O-N 2.89Å; N365-A369 WeakPolarHBondContact O-CB 3.5Å; N365-A369 PolarHBondContact O-N 2.96Å; N365-A369 VanDerWaalsContact O-N 3.07Å
366	G	91.9	Very high	89.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-42.2	174.3	0	0	0	0	0	113.1	F362 V363 V364 A369 F370	F362-G366 PolarHBondContact O-N 2.86Å; V363-G366 WeakPolarHBondContact O-CA 2.97Å; V363-G366 PolarHBondContact O-N 3.16Å; V363-G366 VanDerWaalsContact O-N 3.07Å; V364-G366 VanDerWaalsContact C-N 3.27Å; V364-G366 PolarHBondContact O-N 3.37Å; G366-A369 PolarHBondContact O-N 3.17Å; G366-F370 VanDerWaalsContact O-CD2 3.31Å; G366-F370 WeakPolarHBondContact O-CD2 3.14Å; G366-F370 PolarHBondContact O-N 2.97Å; G366-F370 VanDerWaalsContact O-N 3.17Å
367	L	91.4	Very high	89.9	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-44.7	173.9	-67.8	174.3	0	0	0	111.4	F339 V363 V364 A369 F370 H371 Y372 Y378 I395 V397	F339-L367 HydrophobicContact CB-CD2 4.13Å; F339-L367 HydrophobicContact CD2-CD2 4.26Å; F339-L367 HydrophobicContact CG-CD2 4.28Å; V363-L367 HydrophobicContact CG1-CD1 4.28Å; V363-L367 PolarHBondContact O-N 3Å; V364-L367 PolarHBondContact O-N 3.29Å; L367-A369 VanDerWaalsContact C-N 3.27Å; L367-A369 PolarHBondContact O-N 3.12Å; L367-F370 CarbonylContact O-C 3.6Å; L367-F370 WeakPolarHBondContact O-CA 3.49Å; L367-F370 PolarHBondContact O-N 3.08Å; L367-H371 PolarHBondContact O-N 2.69Å; L367-Y372 HydrophobicContact CB-CD2 4.24Å; L367-Y372 HydrophobicContact CD2-CD2 3.82Å; L367-Y372 HydrophobicContact CD2-CE2 4.27Å; L367-Y372 WeakPolarHBondContact O-CD2 3.5Å; L367-Y372 PolarHBondContact O-N 3.46Å; L367-Y372 VanDerWaalsContact O-N 3.17Å; L367-Y378 HydrophobicContact CB-CD1 4.48Å; L367-Y378 HydrophobicContact CB-CE1 4.26Å; L367-Y378 HydrophobicContact CD1-CD1 4.28Å; L367-Y378 HydrophobicContact CD1-CD2 4.38Å; L367-Y378 HydrophobicContact CD1-CG 4.15Å; L367-I395 HydrophobicContact CD1-CG2 4.22Å; L367-V397 HydrophobicContact CD1-CG2 4.17Å; L367-V397 HydrophobicContact CD2-CG2 4.48Å
368	N	92.7	Very high	90.1	Very high	73 Å²	73	55.1 Å²	55.1	39%	0.39	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-33.2	175.6	-67	-14.6	0	0	0	112.2	V364 F370 H371 Y372 Y378	V364-N368 WeakPolarHBondContact O-CB 3.41Å; V364-N368 VanDerWaalsContact O-CG 3.23Å; V364-N368 PolarHBondContact O-N 3.21Å; V364-N368 PolarHBondContact O-ND2 3.1Å; N368-F370 VanDerWaalsContact C-N 3.3Å; N368-F370 PolarHBondContact O-N 2.97Å; N368-H371 PolarHBondContact O-N 3.18Å; N368-H371 VanDerWaalsContact O-N 3.12Å; N368-Y372 PolarHBondContact OD1-O 3.47Å; N368-Y378 PolarHBondContact OD1-OH 3.32Å
369	A	90.1	Very high	90.4	Very high	21 Å²	21	56.5 Å²	56.5	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-72.9	-19.3	174.5	0	0	0	0	0	113.8	P251 L255 N365 G366 L367 H371	P251-A369 HydrophobicContact CB-CB 4.21Å; P251-A369 WeakPolarHBondContact CB-O 3.11Å; L255-A369 HydrophobicContact CD1-CB 3.81Å; L255-A369 HydrophobicContact CG-CB 4.31Å; N365-A369 WeakPolarHBondContact O-CB 3.5Å; N365-A369 PolarHBondContact O-N 2.96Å; N365-A369 VanDerWaalsContact O-N 3.07Å; G366-A369 PolarHBondContact O-N 3.17Å; L367-A369 VanDerWaalsContact C-N 3.27Å; L367-A369 PolarHBondContact O-N 3.12Å; A369-H371 VanDerWaalsContact C-N 3.3Å
370	F	87.5	Confident	90.4	Very high	28 Å²	28	57.5 Å²	57.5	12%	0.123	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.7	167.4	-66	-48.4	0	0	0	113.6	P248 P251 L252 A336 E340 G366 L367 N368 Y372	P248-F370 WeakPolarHBondContact O-CE1 3.13Å; P251-F370 HydrophobicContact CB-CD1 4.33Å; P251-F370 HydrophobicContact CG-CD1 4.24Å; P251-F370 HydrophobicContact CG-CE1 4.46Å; L252-F370 HydrophobicContact CD1-CE1 4.3Å; L252-F370 HydrophobicContact CD1-CE2 3.89Å; L252-F370 HydrophobicContact CD1-CZ 3.41Å; L252-F370 VanDerWaalsContact CD1-CZ 3.41Å; L252-F370 HydrophobicContact CD2-CD2 4.46Å; L252-F370 HydrophobicContact CD2-CE1 4.35Å; L252-F370 HydrophobicContact CD2-CE2 3.86Å; L252-F370 HydrophobicContact CD2-CZ 3.83Å; L252-F370 HydrophobicContact CG-CE1 3.9Å; L252-F370 HydrophobicContact CG-CE2 3.98Å; L252-F370 HydrophobicContact CG-CZ 3.43Å; L252-F370 VanDerWaalsContact CG-CZ 3.43Å; A336-F370 HydrophobicContact CB-CE2 4.25Å; A336-F370 WeakPolarHBondContact O-CE2 3.49Å; E340-F370 HydrophobicContact CB-CD2 4.37Å; E340-F370 HydrophobicContact CB-CE2 3.73Å; E340-F370 HydrophobicContact CB-CZ 3.83Å; E340-F370 HydrophobicContact CG-CE1 4.25Å; E340-F370 HydrophobicContact CG-CE2 4.23Å; E340-F370 HydrophobicContact CG-CZ 3.97Å; G366-F370 VanDerWaalsContact O-CD2 3.31Å; G366-F370 WeakPolarHBondContact O-CD2 3.14Å; G366-F370 PolarHBondContact O-N 2.97Å; G366-F370 VanDerWaalsContact O-N 3.17Å; L367-F370 CarbonylContact O-C 3.6Å; L367-F370 WeakPolarHBondContact O-CA 3.49Å; L367-F370 PolarHBondContact O-N 3.08Å; N368-F370 VanDerWaalsContact C-N 3.3Å; N368-F370 PolarHBondContact O-N 2.97Å; F370-Y372 HydrophobicContact CB-CD2 3.63Å; F370-Y372 HydrophobicContact CB-CE2 3.47Å; F370-Y372 VanDerWaalsContact CB-CE2 3.47Å; F370-Y372 HydrophobicContact CD2-CD2 4.49Å; F370-Y372 HydrophobicContact CD2-CE2 4.08Å; F370-Y372 HydrophobicContact CG-CE2 4.16Å
371	H	87.7	Confident	90.4	Very high	165 Å²	165	59.9 Å²	59.9	76%	0.764	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	27.6	-176.8	-51.5	-78.3	0	0	0	115.4	L367 N368 A369	L367-H371 PolarHBondContact O-N 2.69Å; N368-H371 PolarHBondContact O-N 3.18Å; N368-H371 VanDerWaalsContact O-N 3.12Å; A369-H371 VanDerWaalsContact C-N 3.3Å
372	Y	88.3	Confident	90.3	Very high	40 Å²	40	61.5 Å²	61.5	16%	0.157	30%	0.298	C	S	.	.			trans	-77.9	138.6	165	-62.7	-66.6	0	0	0	110.8	E340 L367 N368 F370 D377 R399	E340-Y372 PolarHBondContact OE2-OH 3.19Å; L367-Y372 HydrophobicContact CB-CD2 4.24Å; L367-Y372 HydrophobicContact CD2-CD2 3.82Å; L367-Y372 HydrophobicContact CD2-CE2 4.27Å; L367-Y372 WeakPolarHBondContact O-CD2 3.5Å; L367-Y372 PolarHBondContact O-N 3.46Å; L367-Y372 VanDerWaalsContact O-N 3.17Å; N368-Y372 PolarHBondContact OD1-O 3.47Å; F370-Y372 HydrophobicContact CB-CD2 3.63Å; F370-Y372 HydrophobicContact CB-CE2 3.47Å; F370-Y372 VanDerWaalsContact CB-CE2 3.47Å; F370-Y372 HydrophobicContact CD2-CD2 4.49Å; F370-Y372 HydrophobicContact CD2-CE2 4.08Å; F370-Y372 HydrophobicContact CG-CE2 4.16Å; Y372-D377 WeakPolarHBondContact CA-OD2 3.41Å; Y372-D377 HydrophobicContact CD1-CB 3.77Å; Y372-D377 HydrophobicContact CG-CB 4.28Å; Y372-R399 PolarHBondContact OH-NH2 3.25Å
373	E	89	Confident	89.9	Confident	113 Å²	113	59 Å²	59	53%	0.528	29%	0.288	S	S	.	.			trans	-104.4	138.3	179.9	-65.3	-168.4	175.2	0	0	112.9	Q376 D377	E373-Q376 HydrophobicContact CB-CB 4.3Å; E373-Q376 PolarHBondContact O-N 3.48Å; E373-Q376 PolarHBondContact OE2-NE2 3.49Å; E373-D377 PolarHBondContact N-OD2 3Å; E373-D377 PolarHBondContact O-N 3.38Å
374	E	87.7	Confident	89.3	Confident	80 Å²	80	66.9 Å²	66.9	37%	0.374	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-64	141.4	177.4	-166	168.2	-166.2	0	0	110.6	Q376 Y378	E374-Q376 PolarHBondContact O-N 2.71Å; E374-Q376 VanDerWaalsContact O-N 3.07Å; E374-Y378 HydrophobicContact CB-CE1 4.28Å; E374-Y378 HydrophobicContact CB-CE2 3.9Å; E374-Y378 HydrophobicContact CG-CD2 4.36Å; E374-Y378 HydrophobicContact CG-CE2 3.78Å
375	H	87.2	Confident	88.6	Confident	144 Å²	144	70.1 Å²	70.1	67%	0.667	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-16.5	-171.7	-49.4	-57.4	0	0	0	116.8	Y378	H375-Y378 WeakPolarHBondContact CA-O 3.43Å; H375-Y378 PolarHBondContact N-O 2.95Å
376	Q	86.1	Confident	87.8	Confident	136 Å²	136	72 Å²	72	64%	0.636	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-61.7	172.4	-73.3	178.6	77.2	0	0	111.4	E373 E374	E373-Q376 HydrophobicContact CB-CB 4.3Å; E373-Q376 PolarHBondContact O-N 3.48Å; E373-Q376 PolarHBondContact OE2-NE2 3.49Å; E374-Q376 PolarHBondContact O-N 2.71Å; E374-Q376 VanDerWaalsContact O-N 3.07Å
377	D	88.8	Confident	86.6	Confident	55 Å²	55	79.5 Å²	79.5	29%	0.294	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-32.5	-178.8	-62.4	-63.4	0	0	0	112.4	Y372 E373 V397 Y398	Y372-D377 WeakPolarHBondContact CA-OD2 3.41Å; Y372-D377 HydrophobicContact CD1-CB 3.77Å; Y372-D377 HydrophobicContact CG-CB 4.28Å; E373-D377 PolarHBondContact N-OD2 3Å; E373-D377 PolarHBondContact O-N 3.38Å; D377-V397 WeakPolarHBondContact O-CA 3.34Å; D377-Y398 PolarHBondContact O-N 3.32Å
378	Y	91.4	Very high	85.6	Confident	2 Å²	2	81.8 Å²	81.8	1%	0.008	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.7	-176.5	73.3	-92.1	0	0	0	114.3	V364 L367 N368 E374 H375 V380 I395 D396	V364-Y378 HydrophobicContact CG1-CE2 4.43Å; L367-Y378 HydrophobicContact CB-CD1 4.48Å; L367-Y378 HydrophobicContact CB-CE1 4.26Å; L367-Y378 HydrophobicContact CD1-CD1 4.28Å; L367-Y378 HydrophobicContact CD1-CD2 4.38Å; L367-Y378 HydrophobicContact CD1-CG 4.15Å; N368-Y378 PolarHBondContact OD1-OH 3.32Å; E374-Y378 HydrophobicContact CB-CE1 4.28Å; E374-Y378 HydrophobicContact CB-CE2 3.9Å; E374-Y378 HydrophobicContact CG-CD2 4.36Å; E374-Y378 HydrophobicContact CG-CE2 3.78Å; H375-Y378 WeakPolarHBondContact CA-O 3.43Å; H375-Y378 PolarHBondContact N-O 2.95Å; Y378-V380 HydrophobicContact CD2-CG2 3.82Å; Y378-V380 HydrophobicContact CE2-CG2 3.68Å; Y378-I395 HydrophobicContact CD2-CG2 4.36Å; Y378-D396 CarbonylContact C-O 3.29Å; Y378-D396 WeakPolarHBondContact CA-O 3.48Å; Y378-D396 VanDerWaalsContact CB-O 3.32Å; Y378-D396 WeakPolarHBondContact CB-O 3.46Å
379	I	92.5	Very high	84.5	Confident	62 Å²	62	82.4 Å²	82.4	32%	0.318	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.2	177.8	-64.6	179	0	0	0	109.8	I395 D396 Y398	I379-I395 WeakPolarHBondContact O-CA 3.4Å; I379-D396 PolarHBondContact N-O 3.5Å; I379-D396 PolarHBondContact O-N 2.88Å; I379-Y398 HydrophobicContact CD1-CE2 3.82Å; I379-Y398 HydrophobicContact CG1-CE2 4.03Å
380	V	91.6	Very high	83.9	Confident	22 Å²	22	87.8 Å²	87.8	13%	0.133	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.5	177.7	-176	0	0	0	0	110.4	V364 Y378 I392 I395	V364-V380 HydrophobicContact CG2-CG2 4.17Å; Y378-V380 HydrophobicContact CD2-CG2 3.82Å; Y378-V380 HydrophobicContact CE2-CG2 3.68Å; V380-I392 HydrophobicContact CG1-CB 4.27Å; V380-I392 HydrophobicContact CG1-CD1 3.78Å; V380-I392 HydrophobicContact CG1-CG1 3.66Å; V380-I392 HydrophobicContact CG1-CG2 3.69Å; V380-I395 HydrophobicContact CG2-CG1 4.49Å
381	S	90.5	Very high	83.6	Confident	50 Å²	50	86.5 Å²	86.5	35%	0.35	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.9	175.1	-54.5	0	0	0	0	110.9	V393 K394	S381-V393 PolarHBondContact O-N 2.94Å; S381-K394 PolarHBondContact N-O 3.02Å; S381-K394 PolarHBondContact O-N 2.93Å
382	R	88.7	Confident	83.6	Confident	139 Å²	139	79.6 Å²	79.6	53%	0.525	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150.1	-179.8	-60.4	-176.3	-163.1	-177.9	5.4	111.5	M384 Q390 A391 I392	R382-M384 WeakPolarHBondContact O-CE 3.3Å; R382-Q390 WeakPolarHBondContact CB-O 3.32Å; R382-A391 CarbonylContact C-O 3.57Å; R382-A391 WeakPolarHBondContact CA-O 3.29Å; R382-I392 HydrophobicContact CG-CG1 4.31Å
383	S	85	Confident	83.6	Confident	12 Å²	12	79.8 Å²	79.8	8%	0.084	40%	0.399	C	S	.	.			trans	-64.1	137.7	175.7	-177.3	0	0	0	0	111.9	N385 H388 A391	S383-N385 PolarHBondContact OG-N 2.95Å; S383-N385 VanDerWaalsContact OG-N 3.07Å; S383-H388 PolarHBondContact OG-CD2 3.24Å; S383-A391 PolarHBondContact N-O 3.19Å
384	M	81.5	Confident	83.7	Confident	166 Å²	166	76.8 Å²	76.8	82%	0.818	38%	0.384	S	S	*	.			trans	-84.2	-15.3	168.8	-61.5	-63	100.1	0	0	112.6	R382	R382-M384 WeakPolarHBondContact O-CE 3.3Å
385	N	78.9	Confident	83.9	Confident	90 Å²	90	73 Å²	73	48%	0.481	37%	0.366	S	S	.	.			trans	-71.9	129.6	-177	-63.1	-5.9	0	0	0	110.5	S383 E387 H388	S383-N385 PolarHBondContact OG-N 2.95Å; S383-N385 VanDerWaalsContact OG-N 3.07Å; N385-E387 VanDerWaalsContact C-N 3.25Å; N385-E387 PolarHBondContact O-N 2.78Å; N385-H388 PolarHBondContact O-N 2.85Å; N385-H388 VanDerWaalsContact O-N 3.13Å
386	P	74.6	Confident	84.2	Confident	115 Å²	115	66.5 Å²	66.5	75%	0.747	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-64.4	-31.6	-178.9	26.1	-34.2	0	0	0	112.3	H388 N389	P386-H388 PolarHBondContact O-N 3.48Å; P386-H388 VanDerWaalsContact O-N 3.08Å; P386-N389 PolarHBondContact O-N 3.35Å
387	E	67.7	Low	84.4	Confident	157 Å²	157	60.1 Å²	60.1	73%	0.734	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.8	-2.9	176.4	-56.4	-169.5	147.4	0	0	114.6	N385	N385-E387 VanDerWaalsContact C-N 3.25Å; N385-E387 PolarHBondContact O-N 2.78Å
388	H	69.3	Low	84.1	Confident	48 Å²	48	62.3 Å²	62.3	22%	0.222	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-116.4	8.3	178.7	-58.5	-10.4	0	0	0	112.1	P353 S383 N385 P386 Q390 A391	P353-H388 HydrophobicContact CG-CB 3.97Å; S383-H388 PolarHBondContact OG-CD2 3.24Å; N385-H388 PolarHBondContact O-N 2.85Å; N385-H388 VanDerWaalsContact O-N 3.13Å; P386-H388 PolarHBondContact O-N 3.48Å; P386-H388 VanDerWaalsContact O-N 3.08Å; H388-Q390 PolarHBondContact O-N 3.41Å; H388-A391 HydrophobicContact CB-CB 4.49Å; H388-A391 WeakPolarHBondContact O-CB 3.41Å; H388-A391 PolarHBondContact O-N 2.95Å
389	N	71.1	Confident	83.3	Confident	86 Å²	86	65.1 Å²	65.1	46%	0.46	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.8	41.9	177.6	-81.7	-71.3	0	0	0	114.2	E354 P386 A391	E354-N389 WeakPolarHBondContact OE1-CB 3.34Å; E354-N389 PolarHBondContact OE1-ND2 3.02Å; P386-N389 PolarHBondContact O-N 3.35Å; N389-A391 VanDerWaalsContact C-N 3.27Å; N389-A391 PolarHBondContact O-N 3.44Å
390	Q	77.7	Confident	82	Confident	134 Å²	134	75 Å²	75	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	29.7	-176	-56.8	-175.8	-12.8	0	0	115.3	R382 H388	R382-Q390 WeakPolarHBondContact CB-O 3.32Å; H388-Q390 PolarHBondContact O-N 3.41Å
391	A	80.9	Confident	80.9	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	38%	0.379	C	S	.	.			trans	-56.9	149.8	179	0	0	0	0	0	113.4	P353 N357 R382 S383 H388 N389 V393	P353-A391 HydrophobicContact CB-CB 4.15Å; N357-A391 WeakPolarHBondContact OD1-CA 3.25Å; N357-A391 VanDerWaalsContact OD1-CB 3.27Å; N357-A391 WeakPolarHBondContact OD1-CB 3.43Å; R382-A391 CarbonylContact C-O 3.57Å; R382-A391 WeakPolarHBondContact CA-O 3.29Å; S383-A391 PolarHBondContact N-O 3.19Å; H388-A391 HydrophobicContact CB-CB 4.49Å; H388-A391 WeakPolarHBondContact O-CB 3.41Å; H388-A391 PolarHBondContact O-N 2.95Å; N389-A391 VanDerWaalsContact C-N 3.27Å; N389-A391 PolarHBondContact O-N 3.44Å; A391-V393 PolarHBondContact O-N 3.2Å
392	I	87.6	Confident	80.3	Confident	20 Å²	20	79 Å²	79	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.1	176.8	-62.9	170.2	0	0	0	108.9	M360 V380 R382 I395	M360-I392 HydrophobicContact CB-CB 3.82Å; M360-I392 HydrophobicContact CB-CD1 3.92Å; M360-I392 HydrophobicContact CB-CG1 4.43Å; M360-I392 HydrophobicContact CB-CG2 4Å; M360-I392 HydrophobicContact CG-CB 4Å; M360-I392 HydrophobicContact CG-CG2 4.04Å; M360-I392 HydrophobicContact SD-CG2 4.27Å; V380-I392 HydrophobicContact CG1-CB 4.27Å; V380-I392 HydrophobicContact CG1-CD1 3.78Å; V380-I392 HydrophobicContact CG1-CG1 3.66Å; V380-I392 HydrophobicContact CG1-CG2 3.69Å; R382-I392 HydrophobicContact CG-CG1 4.31Å; I392-I395 HydrophobicContact CG2-CD1 4.2Å; I392-I395 HydrophobicContact CG2-CG1 3.82Å
393	V	87.5	Confident	80	Confident	44 Å²	44	78.5 Å²	78.5	27%	0.267	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-32.8	-178.6	-179.9	0	0	0	0	111.3	S381 A391 Y408	S381-V393 PolarHBondContact O-N 2.94Å; A391-V393 PolarHBondContact O-N 3.2Å; V393-Y408 WeakPolarHBondContact O-CB 3.01Å; V393-Y408 PolarHBondContact O-N 2.86Å
394	K	91	Very high	80.3	Confident	50 Å²	50	78 Å²	78	22%	0.217	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142.3	-178.3	-169.6	-176.6	-174.3	-148.7	0	111.9	S381 D396 L406 I407	S381-K394 PolarHBondContact N-O 3.02Å; S381-K394 PolarHBondContact O-N 2.93Å; K394-D396 VanDerWaalsContact CE-OD1 3.25Å; K394-D396 WeakPolarHBondContact CE-OD1 3.41Å; K394-D396 WeakPolarHBondContact CE-OD2 3.23Å; K394-D396 IonicContact NZ-OD1 2.84Å; K394-D396 PolarHBondContact NZ-OD1 3.23Å; K394-D396 IonicContact NZ-OD2 2.7Å; K394-D396 PolarHBondContact NZ-OD2 3.06Å; K394-L406 CarbonylContact C-O 3.58Å; K394-L406 VanDerWaalsContact CA-O 3.28Å; K394-L406 WeakPolarHBondContact CA-O 3.43Å; K394-L406 WeakPolarHBondContact CG-O 3.47Å; K394-I407 HydrophobicContact CD-CG1 4.1Å; K394-I407 HydrophobicContact CG-CG1 3.91Å
395	I	92.9	Very high	80.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117	166.7	-55.1	177.2	0	0	0	107.4	F339 M360 V363 V364 L367 Y378 I379 V380 I392 V397 S405 L406	F339-I395 HydrophobicContact CZ-CG2 4.45Å; M360-I395 HydrophobicContact SD-CD1 4.25Å; V363-I395 HydrophobicContact CB-CD1 4.2Å; V363-I395 HydrophobicContact CG1-CD1 3.86Å; V364-I395 HydrophobicContact CG2-CD1 3.95Å; L367-I395 HydrophobicContact CD1-CG2 4.22Å; Y378-I395 HydrophobicContact CD2-CG2 4.36Å; I379-I395 WeakPolarHBondContact O-CA 3.4Å; V380-I395 HydrophobicContact CG2-CG1 4.49Å; I392-I395 HydrophobicContact CG2-CD1 4.2Å; I392-I395 HydrophobicContact CG2-CG1 3.82Å; I395-V397 HydrophobicContact CG2-CG2 4.33Å; I395-S405 WeakPolarHBondContact O-CA 3.46Å; I395-L406 HydrophobicContact CB-CB 4.4Å; I395-L406 PolarHBondContact N-O 2.95Å; I395-L406 PolarHBondContact O-N 3.32Å
396	D	92	Very high	81.4	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.043	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135	169.8	-79.9	-63.3	0	0	0	109.5	Y378 I379 K394 Y398 R403 S405	Y378-D396 CarbonylContact C-O 3.29Å; Y378-D396 WeakPolarHBondContact CA-O 3.48Å; Y378-D396 VanDerWaalsContact CB-O 3.32Å; Y378-D396 WeakPolarHBondContact CB-O 3.46Å; I379-D396 PolarHBondContact N-O 3.5Å; I379-D396 PolarHBondContact O-N 2.88Å; K394-D396 VanDerWaalsContact CE-OD1 3.25Å; K394-D396 WeakPolarHBondContact CE-OD1 3.41Å; K394-D396 WeakPolarHBondContact CE-OD2 3.23Å; K394-D396 IonicContact NZ-OD1 2.84Å; K394-D396 PolarHBondContact NZ-OD1 3.23Å; K394-D396 IonicContact NZ-OD2 2.7Å; K394-D396 PolarHBondContact NZ-OD2 3.06Å; D396-Y398 HydrophobicContact CB-CE2 4.33Å; D396-R403 IonicContact OD1-CZ 3.33Å; D396-R403 IonicContact OD1-NE 2.8Å; D396-R403 PolarHBondContact OD1-NE 3.39Å; D396-R403 IonicContact OD1-NH2 3.05Å; D396-R403 PolarHBondContact OD1-NH2 3.3Å; D396-R403 IonicContact OD2-CZ 3.78Å; D396-R403 IonicContact OD2-NE 3.98Å; D396-R403 IonicContact OD2-NH2 2.79Å; D396-R403 PolarHBondContact OD2-NH2 2.94Å; D396-S405 WeakPolarHBondContact OD1-CB 3.34Å
397	V	90.2	Very high	82.2	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.3	172.9	-175.5	0	0	0	0	109.1	F339 L367 D377 I395 Q404	F339-V397 HydrophobicContact CD1-CB 4.03Å; F339-V397 HydrophobicContact CD1-CG2 3.61Å; F339-V397 HydrophobicContact CE1-CB 3.94Å; F339-V397 HydrophobicContact CE1-CG2 3.36Å; F339-V397 HydrophobicContact CE2-CG2 4.49Å; F339-V397 HydrophobicContact CG-CG2 4.28Å; F339-V397 HydrophobicContact CZ-CG2 3.84Å; L367-V397 HydrophobicContact CD1-CG2 4.17Å; L367-V397 HydrophobicContact CD2-CG2 4.48Å; D377-V397 WeakPolarHBondContact O-CA 3.34Å; I395-V397 HydrophobicContact CG2-CG2 4.33Å; V397-Q404 HydrophobicContact CB-CB 4.34Å; V397-Q404 PolarHBondContact N-O 3.41Å; V397-Q404 PolarHBondContact O-N 3Å
398	Y	84.1	Confident	83.3	Confident	101 Å²	101	56.9 Å²	56.9	40%	0.396	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	89.6	-173.8	-63	-76.1	0	0	0	111.5	D377 I379 D396 R403	D377-Y398 PolarHBondContact O-N 3.32Å; I379-Y398 HydrophobicContact CD1-CE2 3.82Å; I379-Y398 HydrophobicContact CG1-CE2 4.03Å; D396-Y398 HydrophobicContact CB-CE2 4.33Å; Y398-R403 HydrophobicContact CE1-CG 4.45Å
399	R	73.6	Confident	84.3	Confident	62 Å²	62	55.6 Å²	55.6	23%	0.234	25%	0.254	C	S	.	.			trans	-87.5	153	168.6	-74.7	-170.3	164.1	-172.6	-16.8	111.6	F339 E340 Y372 S401 H402	F339-R399 PolarHBondContact O-NH1 3.4Å; E340-R399 PolarHBondContact O-NH1 3.49Å; E340-R399 PolarHBondContact O-NH2 3.12Å; E340-R399 IonicContact OE1-CZ 3.84Å; E340-R399 IonicContact OE1-NH2 2.72Å; E340-R399 PolarHBondContact OE1-NH2 3.04Å; E340-R399 IonicContact OE2-NH2 2.95Å; E340-R399 PolarHBondContact OE2-NH2 2.91Å; Y372-R399 PolarHBondContact OH-NH2 3.25Å; R399-S401 PolarHBondContact O-N 3.47Å; R399-S401 VanDerWaalsContact O-N 3.16Å; R399-H402 PolarHBondContact N-O 3.26Å; R399-H402 PolarHBondContact O-N 3.47Å
400	R	66.3	Low	85.1	Confident	268 Å²	268	52.2 Å²	52.2	100%	1.011	24%	0.237	S	C	*	.	S	Bend	trans	-62.5	-18.4	176.9	-62.1	-178.3	-175.4	171.2	2.5	114
401	S	68.5	Low	85.4	Confident	91 Å²	91	46.3 Å²	46.3	64%	0.636	21%	0.21	S	C	*	.	S	Bend	trans	-90.4	-43.8	-179.2	47.9	0	0	0	0	113.1	R399	R399-S401 PolarHBondContact O-N 3.47Å; R399-S401 VanDerWaalsContact O-N 3.16Å
402	H	76.7	Confident	85.6	Confident	65 Å²	65	51.5 Å²	51.5	30%	0.301	23%	0.23	S	C	.	.			trans	-164.5	156.8	180	53.1	84.1	0	0	0	109.6	G342 R399 Q404	G342-H402 PolarHBondContact O-CE1 3.34Å; G342-H402 PolarHBondContact O-NE2 2.88Å; R399-H402 PolarHBondContact N-O 3.26Å; R399-H402 PolarHBondContact O-N 3.47Å; H402-Q404 VanDerWaalsContact CE1-CG 3.44Å; H402-Q404 WeakPolarHBondContact CE1-CG 3.43Å; H402-Q404 WeakPolarHBondContact ND1-CG 3.27Å
403	R	83.8	Confident	85.4	Confident	130 Å²	130	54.6 Å²	54.6	49%	0.491	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.6	163.8	-171.6	178.2	-174.1	148.6	2.5	109.1	D396 Y398	D396-R403 IonicContact OD1-CZ 3.33Å; D396-R403 IonicContact OD1-NE 2.8Å; D396-R403 PolarHBondContact OD1-NE 3.39Å; D396-R403 IonicContact OD1-NH2 3.05Å; D396-R403 PolarHBondContact OD1-NH2 3.3Å; D396-R403 IonicContact OD2-CZ 3.78Å; D396-R403 IonicContact OD2-NE 3.98Å; D396-R403 IonicContact OD2-NH2 2.79Å; D396-R403 PolarHBondContact OD2-NH2 2.94Å; Y398-R403 HydrophobicContact CE1-CG 4.45Å
404	Q	89.5	Confident	85.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.9	165.4	-56.7	176.9	-92.2	0	0	107.7	F339 M343 P344 V397 H402	F339-Q404 HydrophobicContact CD1-CB 3.75Å; F339-Q404 HydrophobicContact CD1-CG 4.49Å; F339-Q404 HydrophobicContact CE1-CB 3.72Å; F339-Q404 PolarHBondContact O-NE2 2.95Å; F339-Q404 PolarHBondContact O-OE1 3Å; M343-Q404 WeakPolarHBondContact O-CG 3.22Å; M343-Q404 PolarHBondContact O-NE2 3.45Å; P344-Q404 WeakPolarHBondContact O-CA 3.28Å; V397-Q404 HydrophobicContact CB-CB 4.34Å; V397-Q404 PolarHBondContact N-O 3.41Å; V397-Q404 PolarHBondContact O-N 3Å; H402-Q404 VanDerWaalsContact CE1-CG 3.44Å; H402-Q404 WeakPolarHBondContact CE1-CG 3.43Å; H402-Q404 WeakPolarHBondContact ND1-CG 3.27Å
405	S	90.9	Very high	84.6	Confident	15 Å²	15	50.4 Å²	50.4	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.4	176.5	62.5	0	0	0	0	111	P344 L346 I395 D396	P344-S405 PolarHBondContact O-N 2.78Å; L346-S405 PolarHBondContact N-O 3.45Å; L346-S405 VanDerWaalsContact N-O 3.08Å; L346-S405 VanDerWaalsContact O-O 3.09Å; I395-S405 WeakPolarHBondContact O-CA 3.46Å; D396-S405 WeakPolarHBondContact OD1-CB 3.34Å
406	L	93.4	Very high	83.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.9	163.8	173.7	58.1	0	0	0	108.9	L335 F339 L346 V348 M360 V363 K394 I395	L335-L406 HydrophobicContact CD1-CD2 4.44Å; F339-L406 HydrophobicContact CE2-CB 3.9Å; F339-L406 HydrophobicContact CE2-CD2 4.24Å; F339-L406 HydrophobicContact CZ-CB 3.53Å; L346-L406 HydrophobicContact CB-CB 4.27Å; L346-L406 HydrophobicContact CB-CD1 3.93Å; L346-L406 WeakPolarHBondContact O-CA 3.48Å; V348-L406 HydrophobicContact CB-CD1 4.14Å; V348-L406 HydrophobicContact CG2-CD1 3.59Å; M360-L406 HydrophobicContact CE-CD2 4.27Å; M360-L406 HydrophobicContact CE-CG 4.35Å; M360-L406 HydrophobicContact SD-CD2 3.75Å; M360-L406 HydrophobicContact SD-CG 4.38Å; V363-L406 HydrophobicContact CG1-CD2 4.23Å; V363-L406 HydrophobicContact CG2-CD2 4.02Å; K394-L406 CarbonylContact C-O 3.58Å; K394-L406 VanDerWaalsContact CA-O 3.28Å; K394-L406 WeakPolarHBondContact CA-O 3.43Å; K394-L406 WeakPolarHBondContact CG-O 3.47Å; I395-L406 HydrophobicContact CB-CB 4.4Å; I395-L406 PolarHBondContact N-O 2.95Å; I395-L406 PolarHBondContact O-N 3.32Å
407	I	92	Very high	82.8	Confident	39 Å²	39	53.9 Å²	53.9	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.8	-177.8	-62.5	164.4	0	0	0	109.4	L346 Y347 V348 K394 L409	L346-I407 PolarHBondContact O-N 2.97Å; Y347-I407 WeakPolarHBondContact CA-O 3.4Å; Y347-I407 HydrophobicContact CD1-CB 4.01Å; Y347-I407 HydrophobicContact CD1-CG2 4.43Å; Y347-I407 HydrophobicContact CE1-CB 4.1Å; Y347-I407 HydrophobicContact CE1-CD1 4.05Å; Y347-I407 HydrophobicContact CE1-CG2 4.45Å; V348-I407 PolarHBondContact N-O 3.17Å; K394-I407 HydrophobicContact CD-CG1 4.1Å; K394-I407 HydrophobicContact CG-CG1 3.91Å; I407-L409 HydrophobicContact CG2-CD2 4Å; I407-L409 HydrophobicContact CG2-CG 4.13Å
408	Y	91.4	Very high	81.5	Confident	30 Å²	30	54.7 Å²	54.7	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.5	163	172.3	-114.6	0	0	0	110.1	V348 A350 P353 L356 V393	V348-Y408 WeakPolarHBondContact O-CA 3.21Å; V348-Y408 WeakPolarHBondContact O-CD2 3.24Å; A350-Y408 HydrophobicContact CB-CE2 4.48Å; A350-Y408 PolarHBondContact O-OH 3.43Å; P353-Y408 HydrophobicContact CB-CD1 3.99Å; P353-Y408 HydrophobicContact CB-CE1 3.79Å; P353-Y408 HydrophobicContact CG-CE1 4.13Å; L356-Y408 HydrophobicContact CD1-CD2 3.2Å; L356-Y408 HydrophobicContact CD1-CE2 3.48Å; L356-Y408 VanDerWaalsContact CD1-CE2 3.48Å; L356-Y408 HydrophobicContact CD1-CG 4.12Å; V393-Y408 WeakPolarHBondContact O-CB 3.01Å; V393-Y408 PolarHBondContact O-N 2.86Å
409	L	89.3	Confident	80.3	Confident	21 Å²	21	55 Å²	55	11%	0.11	26%	0.26	C	S	.	.			trans	-127.3	143.1	168.6	-66.7	177.9	0	0	0	110	Y347 V348 T349 I407 M414 L417	Y347-L409 HydrophobicContact CD1-CD1 3.35Å; Y347-L409 HydrophobicContact CD1-CG 3.88Å; Y347-L409 HydrophobicContact CE1-CD1 3.65Å; Y347-L409 HydrophobicContact CE1-CG 4.33Å; Y347-L409 HydrophobicContact CG-CD1 4.21Å; V348-L409 PolarHBondContact O-N 3.25Å; T349-L409 WeakPolarHBondContact CA-O 3.36Å; T349-L409 WeakPolarHBondContact CB-O 3.44Å; I407-L409 HydrophobicContact CG2-CD2 4Å; I407-L409 HydrophobicContact CG2-CG 4.13Å; L409-M414 HydrophobicContact CB-CB 4.48Å; L409-M414 HydrophobicContact CD1-SD 4.19Å; L409-L417 HydrophobicContact CD1-CD1 3.52Å
410	P	87.5	Confident	79.6	Confident	16 Å²	16	55 Å²	55	10%	0.104	27%	0.267	C	S	.	.			trans	-71	157	171.6	31.1	-34.5	0	0	0	111.3	W412 E413 M414	P410-W412 VanDerWaalsContact C-N 3.29Å; P410-W412 HydrophobicContact CB-CD2 3.91Å; P410-W412 HydrophobicContact CB-CE3 4.03Å; P410-W412 HydrophobicContact CB-CH2 3.51Å; P410-W412 HydrophobicContact CB-CZ2 3.33Å; P410-W412 HydrophobicContact CB-CZ3 3.84Å; P410-W412 HydrophobicContact CG-CD2 4.2Å; P410-W412 VanDerWaalsContact CG-CE2 3.49Å; P410-W412 HydrophobicContact CG-CH2 4.22Å; P410-W412 HydrophobicContact CG-CZ2 3.52Å; P410-W412 PolarHBondContact O-N 2.9Å; P410-W412 VanDerWaalsContact O-N 3.14Å; P410-E413 WeakPolarHBondContact CD-OE2 3.27Å; P410-E413 HydrophobicContact CG-CB 4.08Å; P410-E413 VanDerWaalsContact CG-CD 3.42Å; P410-E413 HydrophobicContact CG-CG 4.19Å; P410-E413 VanDerWaalsContact CG-OE1 3.27Å; P410-E413 WeakPolarHBondContact CG-OE1 3.42Å; P410-E413 PolarHBondContact O-N 2.82Å; P410-M414 PolarHBondContact O-N 3.45Å; P410-M414 VanDerWaalsContact O-N 3.09Å
411	P	85.1	Confident	79.3	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-31.2	-169.9	-25	32.9	0	0	0	115.3	A415 I434	P411-A415 WeakPolarHBondContact O-CB 3.46Å; P411-A415 PolarHBondContact O-N 3.3Å; P411-I434 HydrophobicContact CB-CD1 4.25Å; P411-I434 HydrophobicContact CB-CG1 4.42Å; P411-I434 HydrophobicContact CB-CG2 3.81Å; P411-I434 HydrophobicContact CG-CD1 3.85Å; P411-I434 HydrophobicContact CG-CG1 3.95Å; P411-I434 HydrophobicContact CG-CG2 4.25Å
412	W	83.5	Confident	79.3	Confident	110 Å²	110	52 Å²	52	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-73.1	-36.7	-179.9	56.9	82.9	0	0	0	112.7	P410 A415 A416	P410-W412 VanDerWaalsContact C-N 3.29Å; P410-W412 HydrophobicContact CB-CD2 3.91Å; P410-W412 HydrophobicContact CB-CE3 4.03Å; P410-W412 HydrophobicContact CB-CH2 3.51Å; P410-W412 HydrophobicContact CB-CZ2 3.33Å; P410-W412 HydrophobicContact CB-CZ3 3.84Å; P410-W412 HydrophobicContact CG-CD2 4.2Å; P410-W412 VanDerWaalsContact CG-CE2 3.49Å; P410-W412 HydrophobicContact CG-CH2 4.22Å; P410-W412 HydrophobicContact CG-CZ2 3.52Å; P410-W412 PolarHBondContact O-N 2.9Å; P410-W412 VanDerWaalsContact O-N 3.14Å; W412-A415 PolarHBondContact O-N 3.48Å; W412-A416 PolarHBondContact O-N 2.94Å
413	E	84.9	Confident	79.3	Confident	84 Å²	84	49.3 Å²	49.3	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-72.4	-40.7	174.1	-82.5	154	-126.6	0	0	111.4	P410 A415 A416 L417	P410-E413 WeakPolarHBondContact CD-OE2 3.27Å; P410-E413 HydrophobicContact CG-CB 4.08Å; P410-E413 VanDerWaalsContact CG-CD 3.42Å; P410-E413 HydrophobicContact CG-CG 4.19Å; P410-E413 VanDerWaalsContact CG-OE1 3.27Å; P410-E413 WeakPolarHBondContact CG-OE1 3.42Å; P410-E413 PolarHBondContact O-N 2.82Å; E413-A415 PolarHBondContact O-N 2.99Å; E413-A416 WeakPolarHBondContact O-CB 3.46Å; E413-A416 PolarHBondContact O-N 2.76Å; E413-A416 VanDerWaalsContact O-N 3.14Å; E413-L417 WeakPolarHBondContact O-CB 3.43Å; E413-L417 WeakPolarHBondContact O-CG 3.5Å; E413-L417 PolarHBondContact O-N 2.73Å
414	M	83.4	Confident	79.2	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-36	173.8	-170.5	68.3	-98.5	0	0	111.6	Y347 T349 L409 P410 L417 S418 A423 V426 I442	Y347-M414 HydrophobicContact CG-SD 4.23Å; T349-M414 HydrophobicContact CG2-CG 4.15Å; L409-M414 HydrophobicContact CB-CB 4.48Å; L409-M414 HydrophobicContact CD1-SD 4.19Å; P410-M414 PolarHBondContact O-N 3.45Å; P410-M414 VanDerWaalsContact O-N 3.09Å; M414-L417 HydrophobicContact CE-CB 4.18Å; M414-S418 PolarHBondContact O-N 3.07Å; M414-A423 HydrophobicContact CE-CB 4.25Å; M414-V426 HydrophobicContact CE-CG2 4Å; M414-V426 HydrophobicContact CG-CG1 4.09Å; M414-V426 HydrophobicContact SD-CG1 3.84Å; M414-V426 HydrophobicContact SD-CG2 4.06Å; M414-I442 HydrophobicContact CB-CD1 4.2Å; M414-I442 HydrophobicContact CB-CG1 4.33Å; M414-I442 HydrophobicContact CG-CD1 4.07Å; M414-I442 HydrophobicContact CG-CG1 3.97Å; M414-I442 HydrophobicContact CG-CG2 4.13Å
415	A	77.6	Confident	79.1	Confident	5 Å²	5	45.2 Å²	45.2	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-43.2	172	0	0	0	0	0	112.6	P411 W412 E413 L417 S418 L438 S441 I442 V1033	P411-A415 WeakPolarHBondContact O-CB 3.46Å; P411-A415 PolarHBondContact O-N 3.3Å; W412-A415 PolarHBondContact O-N 3.48Å; E413-A415 PolarHBondContact O-N 2.99Å; A415-L417 VanDerWaalsContact C-N 3.34Å; A415-L417 PolarHBondContact O-N 3.18Å; A415-S418 WeakPolarHBondContact O-CB 3.45Å; A415-S418 PolarHBondContact O-N 2.68Å; A415-L438 HydrophobicContact CB-CD2 3.65Å; A415-S441 VanDerWaalsContact CB-OG 3.32Å; A415-S441 WeakPolarHBondContact CB-OG 3.47Å; A415-I442 HydrophobicContact CB-CG1 4.4Å; A415-V1033 HydrophobicContact CB-CG1 3.86Å
416	A	76.2	Confident	79.1	Confident	29 Å²	29	44.5 Å²	44.5	24%	0.24	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-43.8	174.9	0	0	0	0	0	112.5	W412 E413 S418 N419 L1037	W412-A416 PolarHBondContact O-N 2.94Å; E413-A416 WeakPolarHBondContact O-CB 3.46Å; E413-A416 PolarHBondContact O-N 2.76Å; E413-A416 VanDerWaalsContact O-N 3.14Å; A416-S418 PolarHBondContact O-N 2.89Å; A416-N419 PolarHBondContact O-N 2.95Å; A416-L1037 HydrophobicContact CB-CD1 3.63Å; A416-L1037 HydrophobicContact CB-CD2 3.63Å; A416-L1037 HydrophobicContact CB-CG 4.29Å
417	L	71.9	Confident	79.1	Confident	53 Å²	53	44.5 Å²	44.5	28%	0.277	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.3	175.4	-70.5	163.3	0	0	0	113	L409 E413 M414 A415 N419 V420 R447	L409-L417 HydrophobicContact CD1-CD1 3.52Å; E413-L417 WeakPolarHBondContact O-CB 3.43Å; E413-L417 WeakPolarHBondContact O-CG 3.5Å; E413-L417 PolarHBondContact O-N 2.73Å; M414-L417 HydrophobicContact CE-CB 4.18Å; A415-L417 VanDerWaalsContact C-N 3.34Å; A415-L417 PolarHBondContact O-N 3.18Å; L417-N419 VanDerWaalsContact C-N 3.31Å; L417-V420 HydrophobicContact CD2-CB 4.39Å; L417-V420 PolarHBondContact O-N 3.44Å; L417-R447 PolarHBondContact O-NH2 3.17Å
418	S	62.7	Low	79	Confident	19 Å²	19	42.9 Å²	42.9	13%	0.133	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.8	168.6	-149.3	0	0	0	0	111.9	M414 A415 A416 V420 S441	M414-S418 PolarHBondContact O-N 3.07Å; A415-S418 WeakPolarHBondContact O-CB 3.45Å; A415-S418 PolarHBondContact O-N 2.68Å; A416-S418 PolarHBondContact O-N 2.89Å; S418-V420 VanDerWaalsContact C-N 3.25Å; S418-V420 PolarHBondContact O-N 3.37Å; S418-S441 WeakPolarHBondContact CB-O 3.28Å; S418-S441 PolarHBondContact OG-O 3.25Å
419	N	59	Low	78.9	Confident	107 Å²	107	41.7 Å²	41.7	57%	0.572	21%	0.21	S	C	*	.	S	Bend	trans	-64.2	-28.6	173.3	-67.4	-36.4	0	0	0	113.2	A416 L417 Y1034	A416-N419 PolarHBondContact O-N 2.95Å; L417-N419 VanDerWaalsContact C-N 3.31Å; N419-Y1034 PolarHBondContact ND2-OH 3.39Å
420	V	58.9	Low	78.5	Confident	63 Å²	63	42.1 Å²	42.1	38%	0.382	21%	0.212	S	C	.	.	S	Bend	trans	-98.8	112.9	-176.4	-171.8	0	0	0	0	109.2	L417 S418 Q422 R447	L417-V420 HydrophobicContact CD2-CB 4.39Å; L417-V420 PolarHBondContact O-N 3.44Å; S418-V420 VanDerWaalsContact C-N 3.25Å; S418-V420 PolarHBondContact O-N 3.37Å; V420-Q422 HydrophobicContact CG1-CB 4.45Å; V420-Q422 HydrophobicContact CG1-CG 3.87Å; V420-Q422 PolarHBondContact O-N 2.87Å; V420-R447 PolarHBondContact O-NH2 2.92Å
421	K	58.8	Low	78.4	Confident	188 Å²	188	41.4 Å²	41.4	82%	0.817	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	60.9	-172.8	-63.2	-178.3	-179.4	177.2	0	113.5
422	Q	69.1	Low	78	Confident	107 Å²	107	41 Å²	41	50%	0.5	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-20.7	-176.3	-78.3	172.4	-11.3	0	0	115.2	N345 V420	N345-Q422 VanDerWaalsContact CB-O 3.26Å; N345-Q422 WeakPolarHBondContact CB-O 3.4Å; N345-Q422 PolarHBondContact ND2-O 3.03Å; V420-Q422 HydrophobicContact CG1-CB 4.45Å; V420-Q422 HydrophobicContact CG1-CG 3.87Å; V420-Q422 PolarHBondContact O-N 2.87Å
423	A	75.7	Confident	77.8	Confident	9 Å²	9	36.9 Å²	36.9	7%	0.074	19%	0.194	C	C	.	.			trans	-87.7	127.4	177.6	0	0	0	0	0	112.1	Y347 M414 V426 R447	Y347-A423 HydrophobicContact CD2-CB 3.4Å; Y347-A423 HydrophobicContact CE2-CB 3.59Å; M414-A423 HydrophobicContact CE-CB 4.25Å; A423-V426 HydrophobicContact CB-CG2 3.91Å; A423-R447 VanDerWaalsContact O-CD 3.26Å; A423-R447 WeakPolarHBondContact O-CD 3.37Å; A423-R447 WeakPolarHBondContact O-CG 3.26Å; A423-R447 PolarHBondContact O-NE 2.68Å
424	D	82.2	Confident	77.5	Confident	45 Å²	45	33 Å²	33	24%	0.241	18%	0.176	C	C	.	.	S	Bend	trans	-89.7	-49.9	176	-59.5	-60.7	0	0	0	111.2	M343 P344 N345 I448	M343-D424 HydrophobicContact SD-CB 4.46Å; P344-D424 WeakPolarHBondContact CD-OD2 3.45Å; P344-D424 WeakPolarHBondContact CG-OD2 3.49Å; N345-D424 PolarHBondContact N-OD2 3.06Å; N345-D424 PolarHBondContact O-N 3.47Å; D424-I448 PolarHBondContact O-N 3.45Å
425	L	88.5	Confident	77.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.1	174.4	177.9	68.2	0	0	0	110	L335 A338 M343 L346 Y347 I448 F450	L335-L425 HydrophobicContact CD2-CD2 3.71Å; A338-L425 HydrophobicContact CB-CD2 3.58Å; M343-L425 HydrophobicContact CE-CB 3.7Å; M343-L425 HydrophobicContact CE-CD2 3.82Å; M343-L425 HydrophobicContact CE-CG 4.26Å; M343-L425 HydrophobicContact SD-CB 4.46Å; L346-L425 HydrophobicContact CD2-CB 3.91Å; L346-L425 HydrophobicContact CD2-CD2 4.13Å; Y347-L425 PolarHBondContact N-O 2.68Å; L425-I448 WeakPolarHBondContact CA-O 3.38Å; L425-I448 HydrophobicContact CD1-CB 3.66Å; L425-I448 HydrophobicContact CD1-CG2 3.53Å; L425-F450 HydrophobicContact CD1-CD1 3.94Å; L425-F450 HydrophobicContact CD1-CD2 4.05Å; L425-F450 HydrophobicContact CD1-CE1 3.91Å; L425-F450 HydrophobicContact CD1-CE2 4.04Å; L425-F450 HydrophobicContact CD1-CG 4Å; L425-F450 HydrophobicContact CD1-CZ 3.98Å; L425-F450 HydrophobicContact CD2-CD2 4.24Å; L425-F450 HydrophobicContact CD2-CE2 3.95Å; L425-F450 HydrophobicContact CD2-CZ 4.42Å
426	V	90.2	Very high	77.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.9	167.8	-175.1	0	0	0	0	109.5	Y347 T349 M414 A423 V428 I442 I448 V449 F450	Y347-V426 CarbonylContact O-C 3.48Å; Y347-V426 WeakPolarHBondContact O-CA 3.21Å; T349-V426 HydrophobicContact CG2-CG1 4.24Å; M414-V426 HydrophobicContact CE-CG2 4Å; M414-V426 HydrophobicContact CG-CG1 4.09Å; M414-V426 HydrophobicContact SD-CG1 3.84Å; M414-V426 HydrophobicContact SD-CG2 4.06Å; A423-V426 HydrophobicContact CB-CG2 3.91Å; V426-V428 HydrophobicContact CG1-CG2 4.27Å; V426-I442 HydrophobicContact CG1-CG2 3.81Å; V426-I448 PolarHBondContact N-O 2.76Å; V426-V449 HydrophobicContact CB-CG1 4.42Å; V426-V449 CarbonylContact O-C 3.57Å; V426-V449 VanDerWaalsContact O-CA 3.25Å; V426-V449 WeakPolarHBondContact O-CA 3.43Å; V426-V449 WeakPolarHBondContact O-CG1 3.47Å; V426-F450 PolarHBondContact O-N 3.47Å
427	C	92.3	Very high	77.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.2	175.3	177.7	0	0	0	0	109.8	L335 Y347 V348 T349 F450	L335-C427 HydrophobicContact CD1-CB 4.19Å; L335-C427 HydrophobicContact CD2-CB 4.12Å; L335-C427 HydrophobicContact CG-CB 4.49Å; Y347-C427 PolarHBondContact O-N 2.74Å; V348-C427 CarbonylContact C-O 3.54Å; V348-C427 VanDerWaalsContact CA-O 3.31Å; V348-C427 WeakPolarHBondContact CA-O 3.29Å; V348-C427 HydrophobicContact CG2-CB 3.67Å; T349-C427 WeakPolarHBondContact CG2-O 3.42Å; T349-C427 PolarHBondContact N-O 3.22Å; C427-F450 CarbonylContact C-O 3.35Å; C427-F450 WeakPolarHBondContact CA-O 3.29Å; C427-F450 HydrophobicContact CB-CB 4.44Å
428	V	90.4	Very high	77.9	Confident	4 Å²	4	32 Å²	32	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105.4	-176.7	-168	0	0	0	0	108.4	T349 V426 A431 I434 I442 V449 F450 M451 A452	T349-V428 HydrophobicContact CG2-CB 4.24Å; T349-V428 HydrophobicContact CG2-CG1 4.17Å; T349-V428 HydrophobicContact CG2-CG2 3.82Å; V426-V428 HydrophobicContact CG1-CG2 4.27Å; V428-A431 HydrophobicContact CB-CB 4.35Å; V428-A431 HydrophobicContact CG1-CB 3.65Å; V428-I434 HydrophobicContact CG1-CD1 3.65Å; V428-I442 HydrophobicContact CG2-CG2 4.37Å; V428-V449 HydrophobicContact CG2-CG1 4.23Å; V428-F450 PolarHBondContact N-O 2.83Å; V428-M451 HydrophobicContact CB-CG 4.17Å; V428-M451 HydrophobicContact CG2-CG 4.21Å; V428-M451 CarbonylContact O-C 3.57Å; V428-M451 WeakPolarHBondContact O-CA 3.27Å; V428-A452 PolarHBondContact O-N 2.68Å
429	D	88.7	Confident	78.8	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.027	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	145.6	173.6	-156.3	0.6	0	0	0	111.2	S328 L331 T349 L356 L359 A431 A452	S328-D429 VanDerWaalsContact CB-OD2 3.23Å; S328-D429 WeakPolarHBondContact CB-OD2 3.48Å; S328-D429 PolarHBondContact OG-OD2 3.45Å; L331-D429 HydrophobicContact CD1-CB 3.95Å; T349-D429 PolarHBondContact O-N 2.89Å; T349-D429 VanDerWaalsContact O-N 3.14Å; L356-D429 HydrophobicContact CD2-CB 4Å; L359-D429 HydrophobicContact CD1-CB 4.27Å; D429-A431 VanDerWaalsContact C-N 3.29Å; D429-A431 PolarHBondContact O-N 2.85Å; D429-A452 WeakPolarHBondContact OD1-CB 3.41Å
430	E	82.5	Confident	79.8	Confident	30 Å²	30	27.2 Å²	27.2	14%	0.14	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.9	53.2	-166.6	-64.6	-77	-142	0	0	113	R323 A432 A433 A452 T454	R323-E430 IonicContact CZ-OE1 3.39Å; R323-E430 IonicContact NE-OE1 2.73Å; R323-E430 PolarHBondContact NE-OE1 2.78Å; R323-E430 IonicContact NH2-OE1 3.19Å; R323-E430 PolarHBondContact NH2-OE1 3.3Å; E430-A432 PolarHBondContact O-N 3.48Å; E430-A433 WeakPolarHBondContact O-CB 3.31Å; E430-A433 PolarHBondContact O-N 3.29Å; E430-A452 PolarHBondContact N-O 3.1Å; E430-T454 WeakPolarHBondContact OE1-CG2 3.33Å; E430-T454 PolarHBondContact OE1-OG1 3.14Å; E430-T454 WeakPolarHBondContact OE2-CB 3.24Å; E430-T454 VanDerWaalsContact OE2-CG2 3.31Å; E430-T454 WeakPolarHBondContact OE2-CG2 3.22Å; E430-T454 PolarHBondContact OE2-N 2.7Å; E430-T454 PolarHBondContact OE2-OG1 3.18Å
431	A	84	Confident	80.7	Confident	2 Å²	2	25 Å²	25	2%	0.017	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-53.4	-24.2	-176.8	0	0	0	0	0	114.2	V428 D429 A433 I434 A452 L465	V428-A431 HydrophobicContact CB-CB 4.35Å; V428-A431 HydrophobicContact CG1-CB 3.65Å; D429-A431 VanDerWaalsContact C-N 3.29Å; D429-A431 PolarHBondContact O-N 2.85Å; A431-A433 VanDerWaalsContact C-N 3.31Å; A431-A433 PolarHBondContact O-N 3.47Å; A431-I434 PolarHBondContact O-N 2.94Å; A431-A452 WeakPolarHBondContact CB-O 3.26Å; A431-A452 PolarHBondContact N-O 2.97Å; A431-L465 HydrophobicContact CB-CD1 4.47Å
432	A	78.1	Confident	81.7	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-78.5	-7.1	177.5	0	0	0	0	0	115.1	E430 S453 T461 L465	E430-A432 PolarHBondContact O-N 3.48Å; A432-S453 WeakPolarHBondContact CB-OG 3.42Å; A432-T461 WeakPolarHBondContact CB-OG1 3.09Å; A432-T461 WeakPolarHBondContact O-CB 3.35Å; A432-T461 WeakPolarHBondContact O-CG2 3.43Å; A432-T461 PolarHBondContact O-OG1 2.85Å; A432-L465 HydrophobicContact CB-CB 4.16Å; A432-L465 HydrophobicContact CB-CD1 3.98Å
433	A	77.7	Confident	82.2	Confident	24 Å²	24	11.7 Å²	11.7	20%	0.198	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-85.3	-15.7	167.1	0	0	0	0	0	112.3	P351 E430 A431	P351-A433 HydrophobicContact CG-CB 3.52Å; E430-A433 WeakPolarHBondContact O-CB 3.31Å; E430-A433 PolarHBondContact O-N 3.29Å; A431-A433 VanDerWaalsContact C-N 3.31Å; A431-A433 PolarHBondContact O-N 3.47Å
434	I	80.3	Confident	81.9	Confident	3 Å²	3	14.6 Å²	14.6	2%	0.015	9%	0.088	C	C	.	.	S	Bend	trans	-91.9	137.7	179.3	-56.7	173.2	0	0	0	109.1	P351 P411 V428 A431 L436 L438 V439 Y604	P351-I434 HydrophobicContact CG-CG1 4.36Å; P411-I434 HydrophobicContact CB-CD1 4.25Å; P411-I434 HydrophobicContact CB-CG1 4.42Å; P411-I434 HydrophobicContact CB-CG2 3.81Å; P411-I434 HydrophobicContact CG-CD1 3.85Å; P411-I434 HydrophobicContact CG-CG1 3.95Å; P411-I434 HydrophobicContact CG-CG2 4.25Å; V428-I434 HydrophobicContact CG1-CD1 3.65Å; A431-I434 PolarHBondContact O-N 2.94Å; I434-L436 PolarHBondContact O-N 2.97Å; I434-L438 HydrophobicContact CG2-CB 3.97Å; I434-V439 HydrophobicContact CB-CG2 3.81Å; I434-V439 HydrophobicContact CG2-CG2 3.74Å; I434-Y604 PolarHBondContact O-OH 3.3Å
435	P	79.2	Confident	81.2	Confident	11 Å²	11	13 Å²	13	7%	0.071	8%	0.082	C	C	.	.			trans	-51.2	133.2	174.6	-32.4	37.1	0	0	0	114.1	P437 L438 V439 E863	P435-P437 VanDerWaalsContact C-N 3.3Å; P435-L438 HydrophobicContact CB-CB 4.46Å; P435-L438 HydrophobicContact CB-CD1 4.21Å; P435-L438 HydrophobicContact CB-CG 4.35Å; P435-L438 HydrophobicContact CG-CD1 4.03Å; P435-L438 PolarHBondContact O-N 2.66Å; P435-V439 PolarHBondContact O-N 3.2Å; P435-E863 WeakPolarHBondContact CG-O 3.39Å
436	L	78.7	Confident	80	Confident	28 Å²	28	17 Å²	17	15%	0.147	11%	0.108	C	C	.	.	H	α-helix	trans	-51	-38.5	176.7	-174.9	63.3	0	0	0	114.2	I434 L438 V439 Q440 K468 L469 Y604	I434-L436 PolarHBondContact O-N 2.97Å; L436-L438 PolarHBondContact O-N 2.67Å; L436-V439 PolarHBondContact O-N 3.23Å; L436-Q440 HydrophobicContact CD1-CG 4.29Å; L436-Q440 HydrophobicContact CG-CG 4.42Å; L436-Q440 WeakPolarHBondContact O-CB 3.06Å; L436-Q440 VanDerWaalsContact O-CG 3.29Å; L436-Q440 WeakPolarHBondContact O-CG 3.3Å; L436-Q440 PolarHBondContact O-N 3.44Å; L436-K468 HydrophobicContact CD2-CB 4.43Å; L436-L469 HydrophobicContact CD1-CB 4.29Å; L436-L469 HydrophobicContact CD1-CD1 3.76Å; L436-Y604 HydrophobicContact CB-CE2 4.27Å
437	P	76.7	Confident	79.4	Confident	12 Å²	12	17.7 Å²	17.7	8%	0.078	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-40.6	173.4	-25.2	35.3	0	0	0	113.9	P435 Q440 S441 T865 S1029	P435-P437 VanDerWaalsContact C-N 3.3Å; P437-Q440 PolarHBondContact O-N 2.96Å; P437-S441 PolarHBondContact O-N 2.88Å; P437-T865 WeakPolarHBondContact CD-O 3.3Å; P437-S1029 WeakPolarHBondContact CB-OG 3.2Å; P437-S1029 WeakPolarHBondContact CG-OG 3.4Å
438	L	81.6	Confident	79	Confident	15 Å²	15	18.1 Å²	18.1	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-71.6	-41.2	177.4	-68.2	172.7	0	0	0	111	A415 I434 P435 L436 Q440 S441 I442 V1033	A415-L438 HydrophobicContact CB-CD2 3.65Å; I434-L438 HydrophobicContact CG2-CB 3.97Å; P435-L438 HydrophobicContact CB-CB 4.46Å; P435-L438 HydrophobicContact CB-CD1 4.21Å; P435-L438 HydrophobicContact CB-CG 4.35Å; P435-L438 HydrophobicContact CG-CD1 4.03Å; P435-L438 PolarHBondContact O-N 2.66Å; L436-L438 PolarHBondContact O-N 2.67Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.17Å; L438-S441 PolarHBondContact O-N 3.4Å; L438-S441 PolarHBondContact O-OG 3.03Å; L438-I442 WeakPolarHBondContact O-CD1 3.19Å; L438-I442 VanDerWaalsContact O-CG1 3.22Å; L438-I442 WeakPolarHBondContact O-CG1 3.3Å; L438-I442 PolarHBondContact O-N 2.69Å; L438-V1033 HydrophobicContact CD2-CB 4.44Å; L438-V1033 HydrophobicContact CD2-CG1 3.9Å; L438-V1033 HydrophobicContact CD2-CG2 3.87Å
439	V	82.5	Confident	78.9	Confident	2 Å²	2	18 Å²	18	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-43	174.1	179	0	0	0	0	110.7	I434 P435 L436 I442 I443 M451 L469	I434-V439 HydrophobicContact CB-CG2 3.81Å; I434-V439 HydrophobicContact CG2-CG2 3.74Å; P435-V439 PolarHBondContact O-N 3.2Å; L436-V439 PolarHBondContact O-N 3.23Å; V439-I442 PolarHBondContact O-N 3.42Å; V439-I443 HydrophobicContact CG1-CD1 3.75Å; V439-I443 WeakPolarHBondContact O-CB 3.28Å; V439-I443 WeakPolarHBondContact O-CD1 3.49Å; V439-I443 VanDerWaalsContact O-CG1 3.23Å; V439-I443 WeakPolarHBondContact O-CG1 2.99Å; V439-I443 PolarHBondContact O-N 3.27Å; V439-M451 HydrophobicContact CG1-SD 4.47Å; V439-L469 HydrophobicContact CG1-CD1 4.35Å; V439-L469 HydrophobicContact CG1-CD2 4.06Å
440	Q	79.5	Confident	79.1	Confident	24 Å²	24	17.8 Å²	17.8	11%	0.112	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-40.5	175.1	-76.3	175.6	-16.9	0	0	112.8	L436 P437 L438 I443 S444 L469 S1029	L436-Q440 HydrophobicContact CD1-CG 4.29Å; L436-Q440 HydrophobicContact CG-CG 4.42Å; L436-Q440 WeakPolarHBondContact O-CB 3.06Å; L436-Q440 VanDerWaalsContact O-CG 3.29Å; L436-Q440 WeakPolarHBondContact O-CG 3.3Å; L436-Q440 PolarHBondContact O-N 3.44Å; P437-Q440 PolarHBondContact O-N 2.96Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.17Å; Q440-I443 PolarHBondContact O-N 2.85Å; Q440-S444 WeakPolarHBondContact O-CB 3.47Å; Q440-S444 PolarHBondContact O-N 3.01Å; Q440-S444 PolarHBondContact O-OG 3.14Å; Q440-L469 HydrophobicContact CG-CD1 4.43Å; Q440-S1029 PolarHBondContact OE1-OG 3.16Å
441	S	77.9	Confident	79.4	Confident	16 Å²	16	16.5 Å²	16.5	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-35.6	178.1	71.9	0	0	0	0	112.5	A415 S418 P437 L438 S444	A415-S441 VanDerWaalsContact CB-OG 3.32Å; A415-S441 WeakPolarHBondContact CB-OG 3.47Å; S418-S441 WeakPolarHBondContact CB-O 3.28Å; S418-S441 PolarHBondContact OG-O 3.25Å; P437-S441 PolarHBondContact O-N 2.88Å; L438-S441 PolarHBondContact O-N 3.4Å; L438-S441 PolarHBondContact O-OG 3.03Å; S441-S444 PolarHBondContact O-N 3.09Å
442	I	80.6	Confident	79.7	Confident	3 Å²	3	16.4 Å²	16.4	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-37.5	174.3	-65.9	165.1	0	0	0	111.5	M414 A415 V426 V428 L438 V439 S444	M414-I442 HydrophobicContact CB-CD1 4.2Å; M414-I442 HydrophobicContact CB-CG1 4.33Å; M414-I442 HydrophobicContact CG-CD1 4.07Å; M414-I442 HydrophobicContact CG-CG1 3.97Å; M414-I442 HydrophobicContact CG-CG2 4.13Å; A415-I442 HydrophobicContact CB-CG1 4.4Å; V426-I442 HydrophobicContact CG1-CG2 3.81Å; V428-I442 HydrophobicContact CG2-CG2 4.37Å; L438-I442 WeakPolarHBondContact O-CD1 3.19Å; L438-I442 VanDerWaalsContact O-CG1 3.22Å; L438-I442 WeakPolarHBondContact O-CG1 3.3Å; L438-I442 PolarHBondContact O-N 2.69Å; V439-I442 PolarHBondContact O-N 3.42Å; I442-S444 VanDerWaalsContact C-N 3.29Å; I442-S444 PolarHBondContact O-N 3.16Å
443	I	79.3	Confident	80	Confident	12 Å²	12	16.5 Å²	16.5	6%	0.062	11%	0.105	C	C	.	.	H	α-helix	trans	-70.6	-21	174.3	-74.6	169	0	0	0	112.9	F316 V439 Q440 G445 M451 L469 L473	F316-I443 HydrophobicContact CE1-CB 4.31Å; F316-I443 HydrophobicContact CE1-CG1 4.21Å; F316-I443 HydrophobicContact CE1-CG2 3.78Å; F316-I443 HydrophobicContact CZ-CG2 3.8Å; V439-I443 HydrophobicContact CG1-CD1 3.75Å; V439-I443 WeakPolarHBondContact O-CB 3.28Å; V439-I443 WeakPolarHBondContact O-CD1 3.49Å; V439-I443 VanDerWaalsContact O-CG1 3.23Å; V439-I443 WeakPolarHBondContact O-CG1 2.99Å; V439-I443 PolarHBondContact O-N 3.27Å; Q440-I443 PolarHBondContact O-N 2.85Å; I443-G445 VanDerWaalsContact C-N 3.25Å; I443-G445 PolarHBondContact O-N 3.31Å; I443-M451 HydrophobicContact CD1-CE 3.81Å; I443-M451 HydrophobicContact CD1-SD 3.68Å; I443-M451 HydrophobicContact CG1-CE 4.16Å; I443-M451 HydrophobicContact CG1-SD 4.17Å; I443-L469 HydrophobicContact CD1-CD1 3.92Å; I443-L469 HydrophobicContact CD1-CD2 4.08Å; I443-L469 HydrophobicContact CD1-CG 4.46Å; I443-L473 HydrophobicContact CG2-CD2 4.16Å
444	S	69.2	Low	80.2	Confident	71 Å²	71	15.7 Å²	15.7	50%	0.497	10%	0.097	S	C	.	.	S	Bend	trans	-81.4	58	-170.4	-69.2	0	0	0	0	114.1	Q440 S441 I442	Q440-S444 WeakPolarHBondContact O-CB 3.47Å; Q440-S444 PolarHBondContact O-N 3.01Å; Q440-S444 PolarHBondContact O-OG 3.14Å; S441-S444 PolarHBondContact O-N 3.09Å; I442-S444 VanDerWaalsContact C-N 3.29Å; I442-S444 PolarHBondContact O-N 3.16Å
445	G	67.5	Low	80	Confident	11 Å²	11	17.5 Å²	17.5	11%	0.113	11%	0.107	C	C	.	.	S	Bend	trans	-159	167.9	170.6	0	0	0	0	0	113.6	I443 R447 R517	I443-G445 VanDerWaalsContact C-N 3.25Å; I443-G445 PolarHBondContact O-N 3.31Å; G445-R447 PolarHBondContact O-N 2.87Å; G445-R447 VanDerWaalsContact O-N 3.11Å; G445-R517 PolarHBondContact O-NH1 3.25Å
446	P	63.9	Low	79.7	Confident	84 Å²	84	18.2 Å²	18.2	55%	0.545	11%	0.11	S	C	.	.	S	Bend	trans	-78.1	86.1	168.4	32.4	-31.8	0	0	0	109.1
447	R	75.9	Confident	79.1	Confident	15 Å²	15	17.2 Å²	17.2	6%	0.057	11%	0.106	C	C	.	.	S	Bend	trans	-141.1	165	-178.7	-62.4	-176.7	175.4	155	-5.2	110.2	S314 L417 V420 A423 G445 V449	S314-R447 VanDerWaalsContact CA-O 3.29Å; S314-R447 WeakPolarHBondContact CA-O 3.5Å; S314-R447 WeakPolarHBondContact CB-O 3.05Å; L417-R447 PolarHBondContact O-NH2 3.17Å; V420-R447 PolarHBondContact O-NH2 2.92Å; A423-R447 VanDerWaalsContact O-CD 3.26Å; A423-R447 WeakPolarHBondContact O-CD 3.37Å; A423-R447 WeakPolarHBondContact O-CG 3.26Å; A423-R447 PolarHBondContact O-NE 2.68Å; G445-R447 PolarHBondContact O-N 2.87Å; G445-R447 VanDerWaalsContact O-N 3.11Å; R447-V449 HydrophobicContact CB-CG2 4.41Å
448	I	85.4	Confident	78.8	Confident	9 Å²	9	16.8 Å²	16.8	5%	0.046	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.1	161.3	-45.9	177.3	0	0	0	107.5	L272 A275 A315 M343 D424 L425 V426 F450	L272-I448 HydrophobicContact CD2-CD1 4.18Å; A275-I448 HydrophobicContact CB-CD1 3.43Å; A275-I448 VanDerWaalsContact CB-CD1 3.43Å; A275-I448 HydrophobicContact CB-CG1 3.98Å; A315-I448 WeakPolarHBondContact O-CA 3.34Å; M343-I448 HydrophobicContact CE-CD1 4.2Å; M343-I448 HydrophobicContact SD-CD1 3.66Å; D424-I448 PolarHBondContact O-N 3.45Å; L425-I448 WeakPolarHBondContact CA-O 3.38Å; L425-I448 HydrophobicContact CD1-CB 3.66Å; L425-I448 HydrophobicContact CD1-CG2 3.53Å; V426-I448 PolarHBondContact N-O 2.76Å; I448-F450 HydrophobicContact CG2-CD1 4.18Å; I448-F450 HydrophobicContact CG2-CE1 3.69Å; I448-F450 HydrophobicContact CG2-CZ 4.46Å
449	V	88.5	Confident	77.9	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.7	174.8	-169.6	0	0	0	0	111.2	A315 F316 V317 V426 V428 R447 M451	A315-V449 PolarHBondContact O-N 2.85Å; F316-V449 WeakPolarHBondContact CA-O 3.21Å; F316-V449 HydrophobicContact CD1-CB 3.83Å; F316-V449 HydrophobicContact CD1-CG2 4.23Å; F316-V449 HydrophobicContact CE1-CB 3.94Å; F316-V449 HydrophobicContact CE1-CG2 3.82Å; V317-V449 PolarHBondContact N-O 2.85Å; V426-V449 HydrophobicContact CB-CG1 4.42Å; V426-V449 CarbonylContact O-C 3.57Å; V426-V449 VanDerWaalsContact O-CA 3.25Å; V426-V449 WeakPolarHBondContact O-CA 3.43Å; V426-V449 WeakPolarHBondContact O-CG1 3.47Å; V428-V449 HydrophobicContact CG2-CG1 4.23Å; R447-V449 HydrophobicContact CB-CG2 4.41Å; V449-M451 HydrophobicContact CG1-CG 3.93Å
450	F	91.8	Very high	76.7	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.9	169.6	-61.9	-11.3	0	0	0	108.7	F268 S271 L272 V317 L331 L425 V426 C427 V428 I448	F268-F450 HydrophobicContact CB-CE2 4.45Å; F268-F450 HydrophobicContact CB-CZ 4.24Å; F268-F450 AromaticContact CD1-CD1 3.82Å; F268-F450 HydrophobicContact CD1-CD1 3.82Å; F268-F450 AromaticContact CD1-CD2 3.77Å; F268-F450 HydrophobicContact CD1-CD2 3.77Å; F268-F450 AromaticContact CD1-CE1 3.75Å; F268-F450 HydrophobicContact CD1-CE1 3.75Å; F268-F450 AromaticContact CD1-CE2 3.69Å; F268-F450 HydrophobicContact CD1-CE2 3.69Å; F268-F450 AromaticContact CD1-CG 3.85Å; F268-F450 HydrophobicContact CD1-CG 3.85Å; F268-F450 AromaticContact CD1-CZ 3.68Å; F268-F450 HydrophobicContact CD1-CZ 3.68Å; F268-F450 HydrophobicContact CE1-CB 4.08Å; F268-F450 AromaticContact CE1-CD1 3.96Å; F268-F450 HydrophobicContact CE1-CD1 3.96Å; F268-F450 AromaticContact CE1-CD2 3.82Å; F268-F450 HydrophobicContact CE1-CD2 3.82Å; F268-F450 HydrophobicContact CE1-CE1 4.36Å; F268-F450 HydrophobicContact CE1-CE2 4.23Å; F268-F450 AromaticContact CE1-CG 3.68Å; F268-F450 HydrophobicContact CE1-CG 3.68Å; F268-F450 HydrophobicContact CE1-CZ 4.48Å; F268-F450 HydrophobicContact CG-CE2 4.27Å; F268-F450 HydrophobicContact CG-CZ 4.34Å; S271-F450 WeakPolarHBondContact OG-CE1 3.42Å; L272-F450 HydrophobicContact CD1-CZ 4.44Å; L272-F450 HydrophobicContact CD2-CZ 3.88Å; L272-F450 HydrophobicContact CG-CZ 4.05Å; V317-F450 HydrophobicContact CB-CD1 3.87Å; V317-F450 HydrophobicContact CB-CE1 4.32Å; V317-F450 HydrophobicContact CG2-CD1 3.84Å; V317-F450 HydrophobicContact CG2-CE1 3.81Å; V317-F450 WeakPolarHBondContact O-CA 3.26Å; L331-F450 HydrophobicContact CD2-CB 3.88Å; L425-F450 HydrophobicContact CD1-CD1 3.94Å; L425-F450 HydrophobicContact CD1-CD2 4.05Å; L425-F450 HydrophobicContact CD1-CE1 3.91Å; L425-F450 HydrophobicContact CD1-CE2 4.04Å; L425-F450 HydrophobicContact CD1-CG 4Å; L425-F450 HydrophobicContact CD1-CZ 3.98Å; L425-F450 HydrophobicContact CD2-CD2 4.24Å; L425-F450 HydrophobicContact CD2-CE2 3.95Å; L425-F450 HydrophobicContact CD2-CZ 4.42Å; V426-F450 PolarHBondContact O-N 3.47Å; C427-F450 CarbonylContact C-O 3.35Å; C427-F450 WeakPolarHBondContact CA-O 3.29Å; C427-F450 HydrophobicContact CB-CB 4.44Å; V428-F450 PolarHBondContact N-O 2.83Å; I448-F450 HydrophobicContact CG2-CD1 4.18Å; I448-F450 HydrophobicContact CG2-CE1 3.69Å; I448-F450 HydrophobicContact CG2-CZ 4.46Å
451	M	89.9	Confident	75.9	Confident	3 Å²	3	17.4 Å²	17.4	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.3	179.2	-66.7	-178.2	-92.2	0	0	110.1	F316 V317 V318 V319 V428 V439 I443 V449 L469 L473	F316-M451 HydrophobicContact CD1-CE 3.89Å; V317-M451 PolarHBondContact O-N 3.04Å; V318-M451 CarbonylContact C-O 3.53Å; V318-M451 WeakPolarHBondContact CA-O 3.36Å; V318-M451 HydrophobicContact CG1-CB 4.41Å; V318-M451 HydrophobicContact CG2-CB 4.48Å; V318-M451 HydrophobicContact CG2-CE 3.79Å; V319-M451 PolarHBondContact N-O 2.74Å; V428-M451 HydrophobicContact CB-CG 4.17Å; V428-M451 HydrophobicContact CG2-CG 4.21Å; V428-M451 CarbonylContact O-C 3.57Å; V428-M451 WeakPolarHBondContact O-CA 3.27Å; V439-M451 HydrophobicContact CG1-SD 4.47Å; I443-M451 HydrophobicContact CD1-CE 3.81Å; I443-M451 HydrophobicContact CD1-SD 3.68Å; I443-M451 HydrophobicContact CG1-CE 4.16Å; I443-M451 HydrophobicContact CG1-SD 4.17Å; V449-M451 HydrophobicContact CG1-CG 3.93Å; M451-L469 HydrophobicContact SD-CD2 4.08Å; M451-L473 HydrophobicContact CE-CD1 3.93Å
452	A	89.2	Confident	75	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.1	170.1	0	0	0	0	0	111.1	V319 K327 L331 V428 D429 E430 A431	V319-A452 CarbonylContact O-C 3.57Å; V319-A452 VanDerWaalsContact O-CA 3.32Å; V319-A452 WeakPolarHBondContact O-CA 3.43Å; K327-A452 HydrophobicContact CB-CB 4.27Å; K327-A452 HydrophobicContact CD-CB 4.16Å; L331-A452 HydrophobicContact CD1-CB 3.4Å; L331-A452 VanDerWaalsContact CD1-CB 3.4Å; L331-A452 HydrophobicContact CG-CB 4.12Å; V428-A452 PolarHBondContact O-N 2.68Å; D429-A452 WeakPolarHBondContact OD1-CB 3.41Å; E430-A452 PolarHBondContact N-O 3.1Å; A431-A452 WeakPolarHBondContact CB-O 3.26Å; A431-A452 PolarHBondContact N-O 2.97Å
453	S	85	Confident	74.3	Confident	3 Å²	3	17.7 Å²	17.7	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.1	176.5	-170.8	0	0	0	0	112.5	V319 S321 K327 A432	V319-S453 PolarHBondContact O-N 3.24Å; S321-S453 PolarHBondContact N-O 2.82Å; K327-S453 WeakPolarHBondContact CD-O 3.33Å; K327-S453 WeakPolarHBondContact CE-O 3.5Å; K327-S453 PolarHBondContact NZ-O 2.81Å; A432-S453 WeakPolarHBondContact CB-OG 3.42Å
454	T	81.1	Confident	73.6	Confident	6 Å²	6	17.1 Å²	17.1	4%	0.037	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.1	162.1	33.7	0	0	0	0	111.6	S321 R323 K327 E430 G462	S321-T454 CarbonylContact O-C 3.6Å; S321-T454 VanDerWaalsContact O-CA 3.28Å; S321-T454 WeakPolarHBondContact O-CA 3.29Å; R323-T454 HydrophobicContact CG-CG2 3.46Å; R323-T454 VanDerWaalsContact CG-CG2 3.46Å; K327-T454 VanDerWaalsContact NZ-CG2 3.31Å; E430-T454 WeakPolarHBondContact OE1-CG2 3.33Å; E430-T454 PolarHBondContact OE1-OG1 3.14Å; E430-T454 WeakPolarHBondContact OE2-CB 3.24Å; E430-T454 VanDerWaalsContact OE2-CG2 3.31Å; E430-T454 WeakPolarHBondContact OE2-CG2 3.22Å; E430-T454 PolarHBondContact OE2-N 2.7Å; E430-T454 PolarHBondContact OE2-OG1 3.18Å; T454-G462 WeakPolarHBondContact O-CA 3.42Å
455	I	76.9	Confident	73.5	Confident	42 Å²	42	14 Å²	14	22%	0.215	8%	0.082	C	C	.	.	S	Bend	trans	-85.5	-66.5	169.6	-54.8	-178.2	0	0	0	109.6	T320 S321 R463	T320-I455 HydrophobicContact CG2-CD1 4.43Å; S321-I455 PolarHBondContact O-N 3.39Å; I455-R463 HydrophobicContact CG2-CB 4.07Å; I455-R463 HydrophobicContact CG2-CG 4.1Å
456	N	72.7	Confident	73.6	Confident	26 Å²	26	14.3 Å²	14.3	14%	0.139	8%	0.083	C	C	.	.	S	Bend	trans	-91.7	124.6	178.5	-59.4	12.5	0	0	0	108.5	G322 R463 D547	G322-N456 WeakPolarHBondContact CA-O 3.48Å; N456-R463 PolarHBondContact OD1-NH1 3.23Å; N456-D547 PolarHBondContact ND2-OD1 3.48Å
457	G	67.1	Low	73.8	Confident	6 Å²	6	14 Å²	14	6%	0.062	7%	0.074	C	C	.	.	S	Bend	trans	160.5	163.5	-178.2	0	0	0	0	0	112.4	E459 G460	G457-E459 PolarHBondContact O-N 2.87Å; G457-G460 PolarHBondContact O-N 3.05Å; G457-G460 VanDerWaalsContact O-N 3.12Å
458	Y	68.7	Low	73.6	Confident	4 Å²	4	17 Å²	17	2%	0.016	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-0.5	-170.1	58.8	-99.7	0	0	0	117.2	L113 N131 A134 R135 E138 R323 P608	L113-Y458 WeakPolarHBondContact CD1-OH 3.17Å; L113-Y458 WeakPolarHBondContact CD2-OH 3.19Å; N131-Y458 WeakPolarHBondContact OD1-CD2 3.45Å; A134-Y458 HydrophobicContact CB-CD1 3.69Å; A134-Y458 HydrophobicContact CB-CG 4Å; R135-Y458 HydrophobicContact CB-CE1 4.4Å; R135-Y458 HydrophobicContact CG-CD1 4.18Å; R135-Y458 HydrophobicContact CG-CD2 4.07Å; R135-Y458 HydrophobicContact CG-CE1 3.7Å; R135-Y458 HydrophobicContact CG-CE2 3.59Å; R135-Y458 HydrophobicContact CG-CG 4.35Å; E138-Y458 WeakPolarHBondContact OE2-CE1 3.3Å; R323-Y458 VanDerWaalsContact NH1-CE1 3.25Å; R323-Y458 PolarHBondContact NH1-OH 3.47Å; Y458-P608 WeakPolarHBondContact O-CD 3.47Å
459	E	62.8	Low	73.1	Confident	35 Å²	35	16.7 Å²	16.7	16%	0.164	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-16.4	173.1	-86.5	156.2	-108.8	0	0	113.9	R323 G457 T461 N606	R323-E459 IonicContact CZ-OE1 3.61Å; R323-E459 IonicContact NH1-OE1 3.83Å; R323-E459 PolarHBondContact NH1-OE1 3.38Å; R323-E459 IonicContact NH2-OE1 3.86Å; R323-E459 PolarHBondContact NH2-OE1 2.88Å; R323-E459 IonicContact NH2-OE2 2.79Å; G457-E459 PolarHBondContact O-N 2.87Å; E459-T461 PolarHBondContact O-N 3.36Å; E459-N606 CarbonylContact C-O 3.46Å; E459-N606 VanDerWaalsContact C-O 3.29Å
460	G	57.4	Low	72.6	Confident	13 Å²	13	17 Å²	17	13%	0.134	9%	0.087	C	C	.	.			trans	61.2	-7	171.4	0	0	0	0	0	117.1	G457	G457-G460 PolarHBondContact O-N 3.05Å; G457-G460 VanDerWaalsContact O-N 3.12Å
461	T	63.6	Low	71.9	Confident	5 Å²	5	24.4 Å²	24.4	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-77.6	-40.4	-170.3	44.8	0	0	0	0	113.4	A432 E459 R463 S464 L465 Y604 K605	A432-T461 WeakPolarHBondContact CB-OG1 3.09Å; A432-T461 WeakPolarHBondContact O-CB 3.35Å; A432-T461 WeakPolarHBondContact O-CG2 3.43Å; A432-T461 PolarHBondContact O-OG1 2.85Å; E459-T461 PolarHBondContact O-N 3.36Å; T461-R463 PolarHBondContact O-N 3.05Å; T461-S464 WeakPolarHBondContact O-CA 3.49Å; T461-S464 PolarHBondContact O-N 2.84Å; T461-S464 PolarHBondContact O-OG 3.19Å; T461-S464 VanDerWaalsContact O-OG 3.11Å; T461-L465 PolarHBondContact O-N 3.24Å; T461-Y604 VanDerWaalsContact CA-O 3.3Å; T461-Y604 WeakPolarHBondContact CA-O 3.48Å; T461-Y604 HydrophobicContact CG2-CE1 4.33Å; T461-Y604 WeakPolarHBondContact CG2-O 3.46Å; T461-K605 HydrophobicContact CG2-CB 3.6Å; T461-K605 HydrophobicContact CG2-CD 4.1Å; T461-K605 HydrophobicContact CG2-CG 3.72Å
462	G	59.1	Low	71.3	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-71.3	-15	-168	0	0	0	0	0	115.3	T454 S466	T454-G462 WeakPolarHBondContact O-CA 3.42Å; G462-S466 VanDerWaalsContact O-CB 3.3Å; G462-S466 WeakPolarHBondContact O-CB 3.45Å; G462-S466 PolarHBondContact O-N 2.69Å; G462-S466 PolarHBondContact O-OG 3.06Å
463	R	66.1	Low	70.7	Confident	24 Å²	24	25.8 Å²	25.8	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-72.8	-37.5	166	-158.8	178.6	-154.9	109.5	12.6	112.1	I455 N456 T461 S466 F467 G549 V600	I455-R463 HydrophobicContact CG2-CB 4.07Å; I455-R463 HydrophobicContact CG2-CG 4.1Å; N456-R463 PolarHBondContact OD1-NH1 3.23Å; T461-R463 PolarHBondContact O-N 3.05Å; R463-S466 PolarHBondContact O-OG 3.1Å; R463-F467 HydrophobicContact CG-CD2 4.07Å; R463-F467 HydrophobicContact CG-CE2 3.9Å; R463-F467 WeakPolarHBondContact O-CD2 3.37Å; R463-F467 PolarHBondContact O-N 3.08Å; R463-F467 VanDerWaalsContact O-N 3.09Å; R463-G549 VanDerWaalsContact NH2-CA 3.32Å; R463-V600 HydrophobicContact CB-CG1 4.17Å
464	S	64.5	Low	70.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-72.4	-36.4	174.5	98	0	0	0	0	111.2	T461 K468 H603 Y604	T461-S464 WeakPolarHBondContact O-CA 3.49Å; T461-S464 PolarHBondContact O-N 2.84Å; T461-S464 PolarHBondContact O-OG 3.19Å; T461-S464 VanDerWaalsContact O-OG 3.11Å; S464-K468 VanDerWaalsContact O-CB 3.28Å; S464-K468 WeakPolarHBondContact O-CB 3.23Å; S464-K468 VanDerWaalsContact O-CG 3.3Å; S464-K468 WeakPolarHBondContact O-CG 3.32Å; S464-K468 PolarHBondContact O-N 2.79Å; S464-H603 VanDerWaalsContact CB-O 3.25Å; S464-H603 WeakPolarHBondContact CB-O 3.32Å; S464-Y604 WeakPolarHBondContact OG-CA 3.26Å; S464-Y604 WeakPolarHBondContact OG-CD2 3.1Å; S464-Y604 PolarHBondContact OG-O 3.25Å
465	L	65.7	Low	70.1	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-45.4	171.3	-176.8	150.7	0	0	0	110.9	A431 A432 T461 F467 K468 L469	A431-L465 HydrophobicContact CB-CD1 4.47Å; A432-L465 HydrophobicContact CB-CB 4.16Å; A432-L465 HydrophobicContact CB-CD1 3.98Å; T461-L465 PolarHBondContact O-N 3.24Å; L465-F467 PolarHBondContact O-N 3.47Å; L465-K468 PolarHBondContact O-N 2.94Å; L465-L469 HydrophobicContact CD2-CB 4Å; L465-L469 HydrophobicContact CD2-CD2 3.79Å; L465-L469 HydrophobicContact CG-CB 4.03Å; L465-L469 HydrophobicContact CG-CD2 4.23Å; L465-L469 WeakPolarHBondContact O-CA 2.97Å; L465-L469 WeakPolarHBondContact O-CB 3.26Å; L465-L469 PolarHBondContact O-N 3.02Å
466	S	70.6	Confident	70	Confident	19 Å²	19	34.8 Å²	34.8	13%	0.133	16%	0.163	C	C	.	.	I	π-helix	trans	-61.7	-46.8	178.8	70.2	0	0	0	0	111	G462 R463 K468 L470	G462-S466 VanDerWaalsContact O-CB 3.3Å; G462-S466 WeakPolarHBondContact O-CB 3.45Å; G462-S466 PolarHBondContact O-N 2.69Å; G462-S466 PolarHBondContact O-OG 3.06Å; R463-S466 PolarHBondContact O-OG 3.1Å; S466-K468 PolarHBondContact O-N 3.46Å; S466-L470 WeakPolarHBondContact O-CA 3.45Å; S466-L470 WeakPolarHBondContact O-CB 3.23Å; S466-L470 WeakPolarHBondContact O-CG 3.27Å; S466-L470 PolarHBondContact O-N 2.99Å
467	F	67	Low	70	Confident	78 Å²	78	34 Å²	34	34%	0.342	16%	0.16	S	C	.	.	I	π-helix	trans	-65.2	-32.3	176.3	-78.9	-58.2	0	0	0	114.7	R463 L465 R471	R463-F467 HydrophobicContact CG-CD2 4.07Å; R463-F467 HydrophobicContact CG-CE2 3.9Å; R463-F467 WeakPolarHBondContact O-CD2 3.37Å; R463-F467 PolarHBondContact O-N 3.08Å; R463-F467 VanDerWaalsContact O-N 3.09Å; L465-F467 PolarHBondContact O-N 3.47Å; F467-R471 WeakPolarHBondContact O-CB 3.39Å
468	K	71.9	Confident	70.2	Confident	77 Å²	77	37 Å²	37	34%	0.335	18%	0.177	S	C	.	.	I	π-helix	trans	-88.9	-55.2	-179.1	-68.8	169.1	-176	167.7	0	112.1	L436 S464 L465 S466 Q472	L436-K468 HydrophobicContact CD2-CB 4.43Å; S464-K468 VanDerWaalsContact O-CB 3.28Å; S464-K468 WeakPolarHBondContact O-CB 3.23Å; S464-K468 VanDerWaalsContact O-CG 3.3Å; S464-K468 WeakPolarHBondContact O-CG 3.32Å; S464-K468 PolarHBondContact O-N 2.79Å; L465-K468 PolarHBondContact O-N 2.94Å; S466-K468 PolarHBondContact O-N 3.46Å; K468-Q472 WeakPolarHBondContact O-CG 3.34Å; K468-Q472 PolarHBondContact O-N 2.99Å
469	L	75.4	Confident	70.1	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	20%	0.198	C	C	.	.	I	π-helix	trans	-71.2	-44.8	-177.9	-167.9	78.6	0	0	0	112.3	L436 V439 Q440 I443 M451 L465 R471 Q472 L473	L436-L469 HydrophobicContact CD1-CB 4.29Å; L436-L469 HydrophobicContact CD1-CD1 3.76Å; V439-L469 HydrophobicContact CG1-CD1 4.35Å; V439-L469 HydrophobicContact CG1-CD2 4.06Å; Q440-L469 HydrophobicContact CG-CD1 4.43Å; I443-L469 HydrophobicContact CD1-CD1 3.92Å; I443-L469 HydrophobicContact CD1-CD2 4.08Å; I443-L469 HydrophobicContact CD1-CG 4.46Å; M451-L469 HydrophobicContact SD-CD2 4.08Å; L465-L469 HydrophobicContact CD2-CB 4Å; L465-L469 HydrophobicContact CD2-CD2 3.79Å; L465-L469 HydrophobicContact CG-CB 4.03Å; L465-L469 HydrophobicContact CG-CD2 4.23Å; L465-L469 WeakPolarHBondContact O-CA 2.97Å; L465-L469 WeakPolarHBondContact O-CB 3.26Å; L465-L469 PolarHBondContact O-N 3.02Å; L469-R471 PolarHBondContact O-N 2.86Å; L469-Q472 CarbonylContact O-C 3.58Å; L469-Q472 WeakPolarHBondContact O-CB 3.47Å; L469-Q472 PolarHBondContact O-N 2.68Å; L469-L473 HydrophobicContact CD2-CD1 4.11Å; L469-L473 HydrophobicContact CG-CD1 3.93Å; L469-L473 HydrophobicContact CG-CG 4.33Å; L469-L473 WeakPolarHBondContact O-CG 3.37Å; L469-L473 PolarHBondContact O-N 3.06Å
470	L	77.5	Confident	70	Confident	6 Å²	6	40 Å²	40	3%	0.031	19%	0.194	C	C	.	.	I	π-helix	trans	-70.7	-31.9	179.1	-56.9	174.3	0	0	0	111.7	V318 S466 Q472 L473 R474	V318-L470 HydrophobicContact CB-CD2 4.19Å; V318-L470 HydrophobicContact CG1-CD2 4.1Å; V318-L470 HydrophobicContact CG2-CD2 3.98Å; S466-L470 WeakPolarHBondContact O-CA 3.45Å; S466-L470 WeakPolarHBondContact O-CB 3.23Å; S466-L470 WeakPolarHBondContact O-CG 3.27Å; S466-L470 PolarHBondContact O-N 2.99Å; L470-Q472 VanDerWaalsContact C-N 3.27Å; L470-Q472 PolarHBondContact O-N 3Å; L470-L473 HydrophobicContact CD2-CD1 4.48Å; L470-L473 PolarHBondContact O-N 3.49Å; L470-R474 WeakPolarHBondContact O-CB 3.4Å; L470-R474 WeakPolarHBondContact O-CD 3.2Å; L470-R474 WeakPolarHBondContact O-CG 3.35Å; L470-R474 PolarHBondContact O-N 3.5Å
471	R	77.1	Confident	69.9	Low	157 Å²	157	41.6 Å²	41.6	59%	0.592	21%	0.211	S	C	*	.	H	α-helix	trans	-64.3	-33.3	171.7	-168.7	170.7	-178.7	154	-0.3	111.7	F467 L469 S475 D700	F467-R471 WeakPolarHBondContact O-CB 3.39Å; L469-R471 PolarHBondContact O-N 2.86Å; R471-S475 PolarHBondContact O-N 2.99Å; R471-S475 PolarHBondContact O-OG 3.49Å; R471-D700 IonicContact CZ-OD1 2.81Å; R471-D700 IonicContact NH1-OD1 3.96Å; R471-D700 PolarHBondContact NH1-OD1 3.45Å; R471-D700 IonicContact NH2-OD1 3.83Å
472	Q	77	Confident	69.3	Low	27 Å²	27	41.9 Å²	41.9	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-70.5	-52.6	170.5	-69.7	166.6	8.1	0	0	111.8	K468 L469 L470 R474 S475 Q476 L1026	K468-Q472 WeakPolarHBondContact O-CG 3.34Å; K468-Q472 PolarHBondContact O-N 2.99Å; L469-Q472 CarbonylContact O-C 3.58Å; L469-Q472 WeakPolarHBondContact O-CB 3.47Å; L469-Q472 PolarHBondContact O-N 2.68Å; L470-Q472 VanDerWaalsContact C-N 3.27Å; L470-Q472 PolarHBondContact O-N 3Å; Q472-R474 PolarHBondContact O-N 2.92Å; Q472-S475 PolarHBondContact O-N 2.99Å; Q472-S475 PolarHBondContact O-OG 2.76Å; Q472-Q476 WeakPolarHBondContact O-CG 3.3Å; Q472-Q476 PolarHBondContact O-N 2.74Å; Q472-Q476 VanDerWaalsContact O-N 3.09Å; Q472-L1026 HydrophobicContact CG-CD2 3.93Å
473	L	77.8	Confident	69.1	Low	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-41.2	-178.2	-68.2	172.9	0	0	0	112.3	F316 V318 I443 M451 L469 L470 S475 Q476 C477 L519	F316-L473 HydrophobicContact CD2-CD2 4.49Å; V318-L473 HydrophobicContact CG2-CD1 4.49Å; I443-L473 HydrophobicContact CG2-CD2 4.16Å; M451-L473 HydrophobicContact CE-CD1 3.93Å; L469-L473 HydrophobicContact CD2-CD1 4.11Å; L469-L473 HydrophobicContact CG-CD1 3.93Å; L469-L473 HydrophobicContact CG-CG 4.33Å; L469-L473 WeakPolarHBondContact O-CG 3.37Å; L469-L473 PolarHBondContact O-N 3.06Å; L470-L473 HydrophobicContact CD2-CD1 4.48Å; L470-L473 PolarHBondContact O-N 3.49Å; L473-S475 PolarHBondContact O-N 3.17Å; L473-Q476 PolarHBondContact O-N 3.22Å; L473-Q476 VanDerWaalsContact O-N 3.16Å; L473-C477 VanDerWaalsContact O-CB 3.24Å; L473-C477 WeakPolarHBondContact O-CB 3.07Å; L473-C477 PolarHBondContact O-N 2.7Å; L473-C477 PolarHBondContact O-SG 3.06Å; L473-L519 HydrophobicContact CB-CD1 4.47Å; L473-L519 HydrophobicContact CB-CD2 4.06Å
474	R	79.6	Confident	68.3	Low	124 Å²	124	44.8 Å²	44.8	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-14.1	174.4	-65.5	171	-177.2	174.9	0.8	113.8	L470 Q472 I479 L519 E521	L470-R474 WeakPolarHBondContact O-CB 3.4Å; L470-R474 WeakPolarHBondContact O-CD 3.2Å; L470-R474 WeakPolarHBondContact O-CG 3.35Å; L470-R474 PolarHBondContact O-N 3.5Å; Q472-R474 PolarHBondContact O-N 2.92Å; R474-I479 HydrophobicContact CB-CD1 4.38Å; R474-I479 HydrophobicContact CG-CD1 4.03Å; R474-I479 HydrophobicContact CG-CG1 4.38Å; R474-L519 HydrophobicContact CG-CD2 3.73Å; R474-E521 IonicContact CZ-OE1 3.27Å; R474-E521 IonicContact CZ-OE2 3.98Å; R474-E521 VanDerWaalsContact CZ-OE2 3.3Å; R474-E521 IonicContact NE-OE2 3.72Å; R474-E521 PolarHBondContact NE-OE2 2.55Å; R474-E521 IonicContact NH2-OE1 3.02Å; R474-E521 PolarHBondContact NH2-OE1 3.18Å; R474-E521 IonicContact NH2-OE2 3.7Å; R474-E521 PolarHBondContact NH2-OE2 2.75Å
475	S	74.3	Confident	67.5	Low	63 Å²	63	50.9 Å²	50.9	44%	0.441	27%	0.266	S	S	.	.	H	α-helix	trans	-98.7	-12.9	172	54.9	0	0	0	0	113.9	R471 Q472 L473	R471-S475 PolarHBondContact O-N 2.99Å; R471-S475 PolarHBondContact O-OG 3.49Å; Q472-S475 PolarHBondContact O-N 2.99Å; Q472-S475 PolarHBondContact O-OG 2.76Å; L473-S475 PolarHBondContact O-N 3.17Å
476	Q	73.1	Confident	66.7	Low	53 Å²	53	53.1 Å²	53.1	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-104.7	-31.2	177.6	-66.6	175.1	9.4	0	0	113.4	Q472 L473 V513	Q472-Q476 WeakPolarHBondContact O-CG 3.3Å; Q472-Q476 PolarHBondContact O-N 2.74Å; Q472-Q476 VanDerWaalsContact O-N 3.09Å; L473-Q476 PolarHBondContact O-N 3.22Å; L473-Q476 VanDerWaalsContact O-N 3.16Å; Q476-V513 HydrophobicContact CB-CG1 4.37Å; Q476-V513 HydrophobicContact CG-CG1 4.27Å
477	C	72.6	Confident	65.6	Low	10 Å²	10	56 Å²	56	7%	0.068	30%	0.298	C	S	.	.	S	Bend	trans	-112.6	150.7	-172.4	-53	0	0	0	0	111.2	L473 R517 L519	L473-C477 VanDerWaalsContact O-CB 3.24Å; L473-C477 WeakPolarHBondContact O-CB 3.07Å; L473-C477 PolarHBondContact O-N 2.7Å; L473-C477 PolarHBondContact O-SG 3.06Å; C477-R517 CarbonylContact C-O 3.55Å; C477-R517 VanDerWaalsContact CA-O 3.29Å; C477-R517 WeakPolarHBondContact CA-O 3.42Å; C477-R517 HydrophobicContact CB-CB 4.19Å; C477-R517 WeakPolarHBondContact CB-O 3.38Å; C477-L519 HydrophobicContact CB-CB 3.89Å
478	T	71.4	Confident	64	Low	69 Å²	69	56.1 Å²	56.1	42%	0.423	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.1	167.4	54.5	0	0	0	0	110.2	S480 R517 V518 L519	T478-S480 PolarHBondContact O-N 3.35Å; T478-R517 PolarHBondContact N-O 2.81Å; T478-R517 PolarHBondContact OG1-O 3.32Å; T478-V518 WeakPolarHBondContact O-CA 3.22Å; T478-L519 PolarHBondContact O-N 3.11Å
479	I	68.6	Low	62.1	Low	90 Å²	90	60 Å²	60	46%	0.462	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.6	172.1	-56.4	171.8	0	0	0	108.6	R474	R474-I479 HydrophobicContact CB-CD1 4.38Å; R474-I479 HydrophobicContact CG-CD1 4.03Å; R474-I479 HydrophobicContact CG-CG1 4.38Å
480	S	60.3	Low	59.8	Low	12 Å²	12	65.4 Å²	65.4	8%	0.084	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-65.4	139.1	179.4	-179.9	0	0	0	0	112	T478 T482 T483 L519 F520	T478-S480 PolarHBondContact O-N 3.35Å; S480-T482 WeakPolarHBondContact CB-OG1 3.19Å; S480-T482 PolarHBondContact O-N 2.95Å; S480-T482 VanDerWaalsContact O-N 3.11Å; S480-T482 PolarHBondContact OG-N 2.81Å; S480-T482 PolarHBondContact OG-OG1 3.27Å; S480-T483 PolarHBondContact O-N 3.34Å; S480-T483 PolarHBondContact O-OG1 3.14Å; S480-L519 PolarHBondContact N-O 2.93Å; S480-F520 WeakPolarHBondContact OG-CE1 3.36Å
481	G	53.8	Low	57.6	Low	47 Å²	47	71.1 Å²	71.1	49%	0.485	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-13.8	172.1	0	0	0	0	0	114.3	K485	G481-K485 PolarHBondContact O-N 2.98Å
482	T	51.6	Low	55.3	Low	11 Å²	11	73.1 Å²	73.1	7%	0.067	41%	0.407	C	S	.	.	H	α-helix	trans	-66.1	-42.9	173.7	51	0	0	0	0	112.4	A305 S480 K485 L486 F520	A305-T482 HydrophobicContact CB-CG2 3.66Å; S480-T482 WeakPolarHBondContact CB-OG1 3.19Å; S480-T482 PolarHBondContact O-N 2.95Å; S480-T482 VanDerWaalsContact O-N 3.11Å; S480-T482 PolarHBondContact OG-N 2.81Å; S480-T482 PolarHBondContact OG-OG1 3.27Å; T482-K485 PolarHBondContact O-N 3.42Å; T482-L486 WeakPolarHBondContact O-CB 3.42Å; T482-L486 WeakPolarHBondContact O-CD1 3.04Å; T482-L486 WeakPolarHBondContact O-CG 3.29Å; T482-L486 PolarHBondContact O-N 3.25Å; T482-L486 VanDerWaalsContact O-N 3.08Å; T482-F520 WeakPolarHBondContact OG1-CD1 3.1Å; T482-F520 WeakPolarHBondContact OG1-CE1 3.44Å
483	T	55.6	Low	53	Low	18 Å²	18	76.2 Å²	76.2	11%	0.11	43%	0.431	C	S	.	.	H	α-helix	trans	-66.3	-46.7	-176	59.1	0	0	0	0	110.4	S480 K485 L486 S487 F520	S480-T483 PolarHBondContact O-N 3.34Å; S480-T483 PolarHBondContact O-OG1 3.14Å; T483-K485 PolarHBondContact O-N 3.44Å; T483-L486 PolarHBondContact O-N 2.92Å; T483-S487 PolarHBondContact O-N 2.94Å; T483-S487 PolarHBondContact O-OG 3.36Å; T483-F520 HydrophobicContact CG2-CB 4.48Å
484	A	49.6	Very low	50.6	Low	68 Å²	68	84.6 Å²	84.6	56%	0.562	47%	0.47	S	S	*	.	H	α-helix	trans	-63	-23.7	178.3	0	0	0	0	0	114.2
485	K	47.6	Very low	48.1	Very low	128 Å²	128	84 Å²	84	56%	0.557	49%	0.485	S	S	*	.	H	α-helix	trans	-87.5	-23.7	172.3	-75.8	-168.9	179	-165.1	0	113.9	G304 G481 T482 T483 T488	G304-K485 PolarHBondContact O-NZ 3.22Å; G481-K485 PolarHBondContact O-N 2.98Å; T482-K485 PolarHBondContact O-N 3.42Å; T483-K485 PolarHBondContact O-N 3.44Å; K485-T488 WeakPolarHBondContact O-CG2 3.41Å
486	L	48.7	Very low	45.8	Very low	52 Å²	52	88.1 Å²	88.1	27%	0.272	50%	0.501	S	S	.	.	H	α-helix	trans	-93	-1.3	-178.5	-73.5	166.3	0	0	0	113.5	K263 Q267 T482 T483	K263-L486 WeakPolarHBondContact CE-O 3.11Å; K263-L486 PolarHBondContact NZ-O 3.41Å; Q267-L486 HydrophobicContact CG-CD1 4.26Å; T482-L486 WeakPolarHBondContact O-CB 3.42Å; T482-L486 WeakPolarHBondContact O-CD1 3.04Å; T482-L486 WeakPolarHBondContact O-CG 3.29Å; T482-L486 PolarHBondContact O-N 3.25Å; T482-L486 VanDerWaalsContact O-N 3.08Å; T483-L486 PolarHBondContact O-N 2.92Å
487	S	47.4	Very low	43.6	Very low	79 Å²	79	94.7 Å²	94.7	55%	0.552	53%	0.532	S	S	*	.			trans	-110.5	37.1	179.8	67.9	0	0	0	0	112.8	T483 D489	T483-S487 PolarHBondContact O-N 2.94Å; T483-S487 PolarHBondContact O-OG 3.36Å; S487-D489 PolarHBondContact O-N 3.33Å; S487-D489 VanDerWaalsContact O-N 3.11Å
488	T	32.4	Very low	41.4	Very low	81 Å²	81	98.6 Å²	98.6	50%	0.497	56%	0.559	S	S	.	*			trans	-85.1	78.9	-170.2	49	0	0	0	0	113.9	K485 N490	K485-T488 WeakPolarHBondContact O-CG2 3.41Å; T488-N490 WeakPolarHBondContact CG2-ND2 3.42Å; T488-N490 PolarHBondContact O-N 2.85Å
489	D	32.4	Very low	39.3	Very low	158 Å²	158	101.6 Å²	101.6	85%	0.845	58%	0.578	S	S	*	*			trans	-70.2	56.4	159.2	-75.4	-42.1	0	0	0	111.1	S487 V491	S487-D489 PolarHBondContact O-N 3.33Å; S487-D489 VanDerWaalsContact O-N 3.11Å; D489-V491 PolarHBondContact O-N 3.4Å
490	N	27.6	Very low	37.3	Very low	116 Å²	116	106.6 Å²	106.6	62%	0.62	60%	0.599	S	S	*	*			trans	-80.7	39.8	-171.5	-87.5	-18.7	0	0	0	113.5	T488	T488-N490 WeakPolarHBondContact CG2-ND2 3.42Å; T488-N490 PolarHBondContact O-N 2.85Å
491	V	31	Very low	35.6	Very low	126 Å²	126	115.4 Å²	115.4	76%	0.764	64%	0.636	S	S	*	*	S	Bend	trans	-128	65	-178	-166.9	0	0	0	0	111.6	D489	D489-V491 PolarHBondContact O-N 3.4Å
492	K	28.4	Very low	34.3	Very low	200 Å²	200	120.4 Å²	120.4	87%	0.87	65%	0.652	S	S	*	*	S	Bend	trans	176.4	-7.4	149.8	-98.4	149.6	-167.7	170.6	0	115.7	Q494	K492-Q494 PolarHBondContact O-N 3.22Å
493	S	28.6	Very low	33.2	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	69%	0.69	S	S	*	*			trans	-96.3	28.5	-166	45.3	0	0	0	0	116.5
494	Q	27.6	Very low	31.9	Very low	181 Å²	181	134.9 Å²	134.9	85%	0.846	72%	0.717	S	S	*	*			trans	-84.6	-11.8	-178.6	-75.3	-170.3	-10.7	0	0	115.5	K492 L496	K492-Q494 PolarHBondContact O-N 3.22Å; Q494-L496 PolarHBondContact O-N 3.04Å
495	S	26.6	Very low	30.8	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	73%	0.726	S	S	*	*	S	Bend	trans	-98.9	56.9	-174.1	64.2	0	0	0	0	114
496	L	27.1	Very low	29.7	Very low	149 Å²	149	139.7 Å²	139.7	78%	0.78	74%	0.738	S	S	*	*			trans	-154.5	36	174.1	-116	169.3	0	0	0	114.5	Q494 S498	Q494-L496 PolarHBondContact O-N 3.04Å; L496-S498 PolarHBondContact O-N 2.93Å
497	Q	25.8	Very low	28.7	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	76%	0.76	S	S	*	*			trans	-78.1	78.7	173.5	-70	-170.3	0.5	0	0	112.4
498	S	27.9	Very low	27.8	Very low	91 Å²	91	145.7 Å²	145.7	64%	0.636	77%	0.772	S	S	*	*			trans	-170.5	157.6	155.5	43.1	0	0	0	0	112.8	L496	L496-S498 PolarHBondContact O-N 2.93Å
499	T	25.7	Very low	27.6	Very low	132 Å²	132	143 Å²	143	81%	0.81	76%	0.76	S	S	*	*			trans	69.9	64.5	175.3	66	0	0	0	0	117.7	K501	T499-K501 PolarHBondContact O-N 2.93Å
500	E	26.6	Very low	27.4	Very low	196 Å²	196	140 Å²	140	92%	0.916	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	90.9	157.5	-61.9	-177.8	118	0	0	111.8
501	K	26.4	Very low	27.4	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.9	-14.3	165.8	-113.8	140.2	-168.2	172.2	0	117.9	T499 K503	T499-K501 PolarHBondContact O-N 2.93Å; K501-K503 VanDerWaalsContact C-N 3.31Å; K501-K503 PolarHBondContact O-N 3.26Å
502	N	26	Very low	27.3	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	75%	0.748	S	S	*	*			trans	-84	64.3	179.8	-77.1	-11.8	0	0	0	113.8	I504	N502-I504 HydrophobicContact CB-CG1 4.44Å; N502-I504 PolarHBondContact O-N 2.87Å
503	K	27.4	Very low	27.7	Very low	199 Å²	199	138.7 Å²	138.7	87%	0.865	72%	0.721	S	S	*	*			trans	-71.5	85.4	152.6	-92.6	-178.9	174.9	169.3	0	108	K501 L505	K501-K503 VanDerWaalsContact C-N 3.31Å; K501-K503 PolarHBondContact O-N 3.26Å; K503-L505 PolarHBondContact O-N 2.79Å
504	I	29.2	Very low	28.5	Very low	133 Å²	133	138.5 Å²	138.5	68%	0.682	71%	0.713	S	S	*	*			trans	-55.9	124.8	-177.5	-65.5	179	0	0	0	109.5	N502 L506	N502-I504 HydrophobicContact CB-CG1 4.44Å; N502-I504 PolarHBondContact O-N 2.87Å; I504-L506 HydrophobicContact CG2-CD1 3.94Å; I504-L506 HydrophobicContact CG2-CG 4.16Å; I504-L506 PolarHBondContact O-N 3.12Å
505	L	26	Very low	29.5	Very low	143 Å²	143	135.3 Å²	135.3	75%	0.749	71%	0.706	S	S	*	*			trans	-88	50.7	-157.9	-152.3	125.6	0	0	0	112.7	K503	K503-L505 PolarHBondContact O-N 2.79Å
506	L	25.1	Very low	31	Very low	154 Å²	154	132.3 Å²	132.3	81%	0.806	69%	0.685	S	S	*	*			trans	-91.7	121.8	-178.8	-79.9	164.9	0	0	0	111.8	I504	I504-L506 HydrophobicContact CG2-CD1 3.94Å; I504-L506 HydrophobicContact CG2-CG 4.16Å; I504-L506 PolarHBondContact O-N 3.12Å
507	G	28.5	Very low	33.1	Very low	71 Å²	71	126.8 Å²	126.8	73%	0.732	65%	0.654	S	S	*	*			trans	79.3	62.7	160.8	0	0	0	0	0	117.5	G509	G507-G509 PolarHBondContact O-N 2.8Å
508	K	28	Very low	35.7	Very low	186 Å²	186	118.3 Å²	118.3	81%	0.809	62%	0.615	S	S	*	*	S	Bend	trans	-66.8	6.3	168	-78.3	-174.3	175.5	179.8	0	115.1
509	G	27.1	Very low	38.3	Very low	24 Å²	24	114 Å²	114	25%	0.247	59%	0.585	C	S	.	*			trans	-126.6	66.3	-167	0	0	0	0	0	115.2	G507	G507-G509 PolarHBondContact O-N 2.8Å
510	F	29.6	Very low	41.1	Very low	95 Å²	95	108.1 Å²	108.1	42%	0.417	55%	0.548	S	S	.	.			trans	-151.5	15.2	169.2	-137.7	-94.7	0	0	0	115	L512 V513 V1023	F510-L512 VanDerWaalsContact C-N 3.28Å; F510-L512 PolarHBondContact O-N 2.88Å; F510-V513 HydrophobicContact CE1-CG2 4.3Å; F510-V1023 HydrophobicContact CD2-CG2 4.23Å; F510-V1023 HydrophobicContact CE2-CG1 3.98Å; F510-V1023 HydrophobicContact CE2-CG2 4.15Å
511	R	27.3	Very low	43.8	Very low	241 Å²	241	101.2 Å²	101.2	91%	0.909	52%	0.516	S	S	*	.			trans	-85	50	-171.8	-68.3	-173	171.8	-167.4	-4	114.2
512	L	28.7	Very low	46.6	Very low	125 Å²	125	92 Å²	92	65%	0.654	48%	0.476	S	S	*	.			trans	-147.6	41.9	176.3	-147.8	78.8	0	0	0	114	F510	F510-L512 VanDerWaalsContact C-N 3.28Å; F510-L512 PolarHBondContact O-N 2.88Å
513	V	36.9	Very low	49.4	Very low	50 Å²	50	88 Å²	88	30%	0.303	46%	0.459	S	S	.	.	S	Bend	trans	-133.6	150.5	167.5	-176.2	0	0	0	0	107.2	Q476 F510 T515	Q476-V513 HydrophobicContact CB-CG1 4.37Å; Q476-V513 HydrophobicContact CG-CG1 4.27Å; F510-V513 HydrophobicContact CE1-CG2 4.3Å; V513-T515 PolarHBondContact O-N 2.92Å
514	D	45	Very low	52.2	Low	86 Å²	86	78.7 Å²	78.7	46%	0.46	42%	0.419	S	S	.	.			trans	-48.8	98.8	-172.2	-52.2	-39.3	0	0	0	113.9	S516 R517	D514-S516 PolarHBondContact O-N 3.43Å; D514-R517 HydrophobicContact CB-CG 4.21Å; D514-R517 IonicContact OD2-CZ 2.8Å; D514-R517 IonicContact OD2-NE 3.32Å; D514-R517 PolarHBondContact OD2-NE 3.05Å; D514-R517 IonicContact OD2-NH2 3.97Å; D514-R517 PolarHBondContact OD2-NH2 2.7Å
515	T	47.9	Very low	54.8	Low	115 Å²	115	76.8 Å²	76.8	71%	0.706	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	19.7	176	53.3	0	0	0	0	113.6	V513	V513-T515 PolarHBondContact O-N 2.92Å
516	S	59.7	Low	57.6	Low	48 Å²	48	71.4 Å²	71.4	34%	0.336	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.9	175.5	57.1	0	0	0	0	113.3	S312 D514	S312-S516 WeakPolarHBondContact CB-O 3.35Å; S312-S516 PolarHBondContact OG-O 3.43Å; D514-S516 PolarHBondContact O-N 3.43Å
517	R	70.9	Confident	60.4	Low	34 Å²	34	64.5 Å²	64.5	13%	0.128	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127	-175.5	-44.5	-155.7	-172.2	-165.3	0.7	111.3	S314 F316 G445 C477 T478 D514	S314-R517 WeakPolarHBondContact OG-CG 3.45Å; F316-R517 HydrophobicContact CE2-CB 4.19Å; G445-R517 PolarHBondContact O-NH1 3.25Å; C477-R517 CarbonylContact C-O 3.55Å; C477-R517 VanDerWaalsContact CA-O 3.29Å; C477-R517 WeakPolarHBondContact CA-O 3.42Å; C477-R517 HydrophobicContact CB-CB 4.19Å; C477-R517 WeakPolarHBondContact CB-O 3.38Å; T478-R517 PolarHBondContact N-O 2.81Å; T478-R517 PolarHBondContact OG1-O 3.32Å; D514-R517 HydrophobicContact CB-CG 4.21Å; D514-R517 IonicContact OD2-CZ 2.8Å; D514-R517 IonicContact OD2-NE 3.32Å; D514-R517 PolarHBondContact OD2-NE 3.05Å; D514-R517 IonicContact OD2-NH2 3.97Å; D514-R517 PolarHBondContact OD2-NH2 2.7Å
518	V	79.3	Confident	63.2	Low	13 Å²	13	63.6 Å²	63.6	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.5	178.1	-177.1	0	0	0	0	110.6	S312 S314 A315 F316 T478 F520	S312-V518 WeakPolarHBondContact OG-CG2 3.17Å; S314-V518 PolarHBondContact O-N 3.19Å; A315-V518 WeakPolarHBondContact CA-O 3.11Å; F316-V518 PolarHBondContact N-O 3.46Å; T478-V518 WeakPolarHBondContact O-CA 3.22Å; V518-F520 HydrophobicContact CB-CE2 4.19Å; V518-F520 HydrophobicContact CG1-CD2 4.08Å; V518-F520 HydrophobicContact CG1-CE2 3.53Å; V518-F520 HydrophobicContact CG1-CZ 3.84Å
519	L	83.9	Confident	66	Low	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.1	173.6	-179.7	64.7	0	0	0	110.8	F316 V318 L473 R474 C477 T478 S480	F316-L519 HydrophobicContact CB-CD1 3.79Å; V318-L519 HydrophobicContact CG2-CD1 3.95Å; L473-L519 HydrophobicContact CB-CD1 4.47Å; L473-L519 HydrophobicContact CB-CD2 4.06Å; R474-L519 HydrophobicContact CG-CD2 3.73Å; C477-L519 HydrophobicContact CB-CB 3.89Å; T478-L519 PolarHBondContact O-N 3.11Å; S480-L519 PolarHBondContact N-O 2.93Å
520	F	82.8	Confident	68.9	Low	9 Å²	9	56.5 Å²	56.5	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.2	166.5	-58.7	-94.8	0	0	0	108.4	A270 A315 F316 V317 V318 S480 T482 T483 V518	A270-F520 HydrophobicContact CB-CE1 4.48Å; A315-F520 HydrophobicContact CB-CE2 4.21Å; F316-F520 PolarHBondContact O-N 3.27Å; V317-F520 HydrophobicContact CB-CB 4.37Å; V317-F520 HydrophobicContact CG1-CB 4.14Å; V317-F520 HydrophobicContact CG2-CB 4.11Å; V317-F520 HydrophobicContact CG2-CD2 4.07Å; V317-F520 HydrophobicContact CG2-CG 4.34Å; V318-F520 PolarHBondContact N-O 3Å; S480-F520 WeakPolarHBondContact OG-CE1 3.36Å; T482-F520 WeakPolarHBondContact OG1-CD1 3.1Å; T482-F520 WeakPolarHBondContact OG1-CE1 3.44Å; T483-F520 HydrophobicContact CG2-CB 4.48Å; V518-F520 HydrophobicContact CB-CE2 4.19Å; V518-F520 HydrophobicContact CG1-CD2 4.08Å; V518-F520 HydrophobicContact CG1-CE2 3.53Å; V518-F520 HydrophobicContact CG1-CZ 3.84Å
521	E	83.8	Confident	71.7	Confident	51 Å²	51	52.8 Å²	52.8	24%	0.238	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.5	-177.2	-166.3	176.8	150.1	0	0	108	R474	R474-E521 IonicContact CZ-OE1 3.27Å; R474-E521 IonicContact CZ-OE2 3.98Å; R474-E521 VanDerWaalsContact CZ-OE2 3.3Å; R474-E521 IonicContact NE-OE2 3.72Å; R474-E521 PolarHBondContact NE-OE2 2.55Å; R474-E521 IonicContact NH2-OE1 3.02Å; R474-E521 PolarHBondContact NH2-OE1 3.18Å; R474-E521 IonicContact NH2-OE2 3.7Å; R474-E521 PolarHBondContact NH2-OE2 2.75Å
522	V	84.7	Confident	74.4	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128	-177.1	-176	0	0	0	0	108.7	Q267 V317 V318 V319 T320 L524	Q267-V522 HydrophobicContact CB-CG2 4.39Å; V317-V522 HydrophobicContact CG1-CG2 4.5Å; V318-V522 PolarHBondContact O-N 3.45Å; V319-V522 HydrophobicContact CG2-CB 4.22Å; T320-V522 PolarHBondContact N-O 3.27Å; T320-V522 PolarHBondContact OG1-O 2.8Å; T320-V522 VanDerWaalsContact OG1-O 3.05Å; V522-L524 HydrophobicContact CG1-CD2 3.74Å
523	S	85.8	Confident	77	Confident	67 Å²	67	40.7 Å²	40.7	47%	0.469	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.8	159.8	45.2	0	0	0	0	109.4	T320	T320-S523 CarbonylContact O-C 3.5Å; T320-S523 VanDerWaalsContact O-CA 3.31Å; T320-S523 WeakPolarHBondContact O-CA 3.43Å
524	L	86.5	Confident	79.5	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121	163.1	-41.6	172.7	0	0	0	108.1	D260 V319 T320 S321 R325 K327 V522	D260-L524 HydrophobicContact CB-CB 4.3Å; D260-L524 HydrophobicContact CB-CD2 3.85Å; D260-L524 WeakPolarHBondContact OD2-CA 3.3Å; V319-L524 HydrophobicContact CG1-CD1 3.7Å; V319-L524 HydrophobicContact CG1-CD2 4.39Å; V319-L524 HydrophobicContact CG1-CG 3.85Å; T320-L524 PolarHBondContact O-N 3.37Å; S321-L524 WeakPolarHBondContact CB-O 3.3Å; R325-L524 HydrophobicContact CB-CB 4.16Å; R325-L524 WeakPolarHBondContact O-CD1 3.33Å; K327-L524 HydrophobicContact CG-CD1 4.17Å; V522-L524 HydrophobicContact CG1-CD2 3.74Å
525	T	84.1	Confident	81.7	Confident	92 Å²	92	35.7 Å²	35.7	56%	0.564	22%	0.221	S	C	*	.			trans	-109.2	-29.3	179.3	60.4	0	0	0	0	112.2	D260 R325	D260-T525 PolarHBondContact OD2-N 3.11Å; D260-T525 PolarHBondContact OD2-OG1 3.2Å; R325-T525 PolarHBondContact NH1-O 2.81Å
526	E	84.1	Confident	83.8	Confident	30 Å²	30	30.2 Å²	30.2	14%	0.14	19%	0.188	C	C	.	.	S	Bend	trans	-66.8	134.8	-177.5	-157.4	-171	150.1	0	0	112.9	T258 F259 D260 R325	T258-E526 VanDerWaalsContact CA-OE2 3.3Å; T258-E526 WeakPolarHBondContact CA-OE2 3.5Å; T258-E526 WeakPolarHBondContact CB-OE2 3.25Å; T258-E526 HydrophobicContact CG2-CB 3.97Å; T258-E526 HydrophobicContact CG2-CG 3.92Å; T258-E526 VanDerWaalsContact CG2-OE2 3.32Å; T258-E526 WeakPolarHBondContact CG2-OE2 3.36Å; F259-E526 PolarHBondContact N-OE2 2.99Å; D260-E526 PolarHBondContact OD2-N 2.89Å; R325-E526 WeakPolarHBondContact CD-O 2.95Å
527	A	84.9	Confident	85.2	Confident	9 Å²	9	28.7 Å²	28.7	7%	0.074	18%	0.175	C	C	.	.			trans	-84.9	130.4	177.7	0	0	0	0	0	112.3	Y530 S532	A527-Y530 CarbonylContact C-O 3.48Å; A527-Y530 VanDerWaalsContact C-O 3.29Å; A527-Y530 HydrophobicContact CB-CD2 4.04Å; A527-Y530 HydrophobicContact CB-CE2 4.13Å; A527-Y530 WeakPolarHBondContact CB-O 3.37Å; A527-Y530 VanDerWaalsContact O-O 3.12Å; A527-S532 PolarHBondContact N-OG 3.28Å
528	I	85.9	Confident	86	Confident	53 Å²	53	30 Å²	30	27%	0.272	19%	0.193	S	C	.	.	S	Bend	trans	-103.3	-37	-179.3	-45.6	-165.8	0	0	0	111.7	I257 T258 Q261 G324	I257-I528 HydrophobicContact CD1-CG2 4.22Å; I257-I528 HydrophobicContact CG2-CG2 4.44Å; T258-I528 HydrophobicContact CG2-CD1 3.74Å; T258-I528 HydrophobicContact CG2-CG1 3.61Å; Q261-I528 HydrophobicContact CG-CD1 4.26Å; Q261-I528 VanDerWaalsContact NE2-CD1 3.33Å; G324-I528 PolarHBondContact O-N 3.46Å; G324-I528 VanDerWaalsContact O-N 3.1Å
529	R	87	Confident	86.6	Confident	52 Å²	52	30 Å²	30	20%	0.196	19%	0.192	C	C	.	.	S	Bend	trans	-71.2	-31.4	-176.8	-175.8	169.6	-72.3	-167.3	-17.3	113.1	G114 Q115 T116 E138 S141 G142 G324	G114-R529 PolarHBondContact O-NH2 3.26Å; Q115-R529 PolarHBondContact O-NH2 3Å; T116-R529 HydrophobicContact CG2-CG 4.21Å; E138-R529 WeakPolarHBondContact O-CD 3.2Å; E138-R529 PolarHBondContact O-NH1 3.03Å; S141-R529 CarbonylContact C-O 3.53Å; S141-R529 WeakPolarHBondContact CA-O 3.21Å; G142-R529 PolarHBondContact N-O 2.92Å; G324-R529 PolarHBondContact O-N 2.96Å
530	Y	88.8	Confident	87	Confident	8 Å²	8	30.1 Å²	30.1	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-146.4	167.8	175.2	40.1	-98.6	0	0	0	107.3	A527 D534 E537	A527-Y530 CarbonylContact C-O 3.48Å; A527-Y530 VanDerWaalsContact C-O 3.29Å; A527-Y530 HydrophobicContact CB-CD2 4.04Å; A527-Y530 HydrophobicContact CB-CE2 4.13Å; A527-Y530 WeakPolarHBondContact CB-O 3.37Å; A527-Y530 VanDerWaalsContact O-O 3.12Å; Y530-D534 HydrophobicContact CD2-CB 3.98Å; Y530-E537 HydrophobicContact CE2-CB 4.32Å; Y530-E537 WeakPolarHBondContact CE2-OE1 3.3Å; Y530-E537 PolarHBondContact OH-OE1 3.11Å
531	A	86.8	Confident	87.2	Confident	17 Å²	17	30.6 Å²	30.6	14%	0.14	19%	0.194	C	C	.	.			trans	-72.7	151	178	0	0	0	0	0	112.6	R21 K22 D534	R21-A531 VanDerWaalsContact O-CB 3.26Å; R21-A531 WeakPolarHBondContact O-CB 3.24Å; K22-A531 HydrophobicContact CB-CB 4.16Å; K22-A531 PolarHBondContact O-N 3.47Å; A531-D534 PolarHBondContact O-N 2.89Å
532	S	84.3	Confident	87.5	Confident	52 Å²	52	31 Å²	31	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	133.7	171.7	-59.8	0	0	0	0	110.5	A527	A527-S532 PolarHBondContact N-OG 3.28Å
533	G	84.1	Confident	87.8	Confident	61 Å²	61	31 Å²	31	63%	0.629	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	12.5	-176.1	0	0	0	0	0	115.2	H23 P535	H23-G533 PolarHBondContact CE1-O 3.47Å; H23-G533 VanDerWaalsContact CE1-O 3.3Å; G533-P535 WeakPolarHBondContact O-CD 3.49Å
534	D	89.2	Confident	87.9	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.011	18%	0.176	C	C	.	.			trans	-58.2	116.7	171.7	176.9	54	0	0	0	111.6	H23 R24 Y530 A531 I536 E537 A538	H23-D534 IonicContact CG-OD1 2.68Å; R24-D534 IonicContact CZ-OD2 2.8Å; R24-D534 PolarHBondContact N-OD1 3.19Å; R24-D534 IonicContact NE-OD2 3.24Å; R24-D534 PolarHBondContact NE-OD2 3.24Å; R24-D534 IonicContact NH2-OD2 3.63Å; R24-D534 PolarHBondContact NH2-OD2 3.3Å; Y530-D534 HydrophobicContact CD2-CB 3.98Å; A531-D534 PolarHBondContact O-N 2.89Å; D534-I536 PolarHBondContact O-N 3.32Å; D534-E537 HydrophobicContact CB-CB 4.38Å; D534-E537 WeakPolarHBondContact O-CB 3.26Å; D534-E537 PolarHBondContact O-N 3.44Å; D534-E537 PolarHBondContact OD2-N 3.45Å; D534-E537 VanDerWaalsContact OD2-N 3.11Å; D534-A538 PolarHBondContact O-N 2.79Å
535	P	90.3	Very high	87.9	Confident	29 Å²	29	27.6 Å²	27.6	19%	0.188	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-14.1	-175	31	-38.6	0	0	0	113.2	H23 P194 R195 G533 W539	H23-P535 VanDerWaalsContact ND1-CD 3.32Å; H23-P535 WeakPolarHBondContact ND1-CD 3.43Å; P194-P535 HydrophobicContact CG-CB 4Å; P194-P535 HydrophobicContact CG-CG 4.48Å; R195-P535 HydrophobicContact CB-CG 4.29Å; R195-P535 HydrophobicContact CG-CB 4.49Å; R195-P535 HydrophobicContact CG-CG 3.37Å; G533-P535 WeakPolarHBondContact O-CD 3.49Å; P535-W539 VanDerWaalsContact O-CB 3.27Å; P535-W539 WeakPolarHBondContact O-CB 3.27Å; P535-W539 PolarHBondContact O-N 3.47Å
536	I	92.4	Very high	87.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-75.8	-30.2	170.8	-60.7	-167.6	0	0	0	110.8	R24 M26 I137 I146 R195 D534 W539 L540	R24-I536 HydrophobicContact CB-CB 4.25Å; R24-I536 HydrophobicContact CB-CD1 3.88Å; R24-I536 HydrophobicContact CB-CG1 4.38Å; M26-I536 HydrophobicContact CB-CD1 3.84Å; M26-I536 HydrophobicContact CE-CG2 4.17Å; I137-I536 HydrophobicContact CG2-CG2 4.1Å; I146-I536 HydrophobicContact CD1-CD1 4.49Å; I146-I536 HydrophobicContact CD1-CG2 4.02Å; R195-I536 HydrophobicContact CB-CD1 4.03Å; R195-I536 HydrophobicContact CB-CG1 3.91Å; D534-I536 PolarHBondContact O-N 3.32Å; I536-W539 HydrophobicContact CG2-CE3 4.33Å; I536-L540 VanDerWaalsContact O-CB 3.24Å; I536-L540 WeakPolarHBondContact O-CB 3.33Å; I536-L540 PolarHBondContact O-N 3.32Å
537	E	89.3	Confident	87.2	Confident	16 Å²	16	25.8 Å²	25.8	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-52	166.9	-174.5	167	-117.3	0	0	110.9	R325 Y530 D534 W539 L540 F541	R325-E537 IonicContact CZ-OE1 2.97Å; R325-E537 IonicContact CZ-OE2 3.28Å; R325-E537 IonicContact NH2-OE1 2.69Å; R325-E537 PolarHBondContact NH2-OE1 2.97Å; R325-E537 IonicContact NH2-OE2 3.94Å; R325-E537 PolarHBondContact NH2-OE2 3.33Å; Y530-E537 HydrophobicContact CE2-CB 4.32Å; Y530-E537 WeakPolarHBondContact CE2-OE1 3.3Å; Y530-E537 PolarHBondContact OH-OE1 3.11Å; D534-E537 HydrophobicContact CB-CB 4.38Å; D534-E537 WeakPolarHBondContact O-CB 3.26Å; D534-E537 PolarHBondContact O-N 3.44Å; D534-E537 PolarHBondContact OD2-N 3.45Å; D534-E537 VanDerWaalsContact OD2-N 3.11Å; E537-W539 VanDerWaalsContact C-N 3.32Å; E537-W539 PolarHBondContact O-N 3.16Å; E537-L540 PolarHBondContact O-N 3.1Å; E537-F541 HydrophobicContact CG-CD1 4.03Å; E537-F541 HydrophobicContact CG-CD2 3.99Å; E537-F541 HydrophobicContact CG-CE1 3.74Å; E537-F541 HydrophobicContact CG-CE2 3.7Å; E537-F541 HydrophobicContact CG-CG 4.18Å; E537-F541 HydrophobicContact CG-CZ 3.57Å; E537-F541 WeakPolarHBondContact O-CB 3.25Å; E537-F541 WeakPolarHBondContact O-CD1 3.41Å; E537-F541 WeakPolarHBondContact O-CG 3.41Å; E537-F541 PolarHBondContact O-N 3.36Å; E537-F541 WeakPolarHBondContact OE1-CZ 3.4Å
538	A	88.7	Confident	86.1	Confident	61 Å²	61	25.5 Å²	25.5	50%	0.504	16%	0.16	S	C	.	.	H	α-helix	trans	-58.3	-43	-179.7	0	0	0	0	0	112.4	D534 F541 D542	D534-A538 PolarHBondContact O-N 2.79Å; A538-F541 PolarHBondContact O-N 3.47Å; A538-D542 WeakPolarHBondContact O-CB 3.45Å; A538-D542 PolarHBondContact O-N 3.4Å
539	W	92.1	Very high	84.8	Confident	14 Å²	14	23 Å²	23	5%	0.053	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-42.7	173.6	164.9	81.9	0	0	0	112.6	M26 I137 F186 S189 L190 N193 P535 I536 E537 F541 L543	M26-W539 HydrophobicContact CE-CE3 4.23Å; M26-W539 HydrophobicContact CE-CH2 3.84Å; M26-W539 HydrophobicContact CE-CZ3 3.53Å; M26-W539 HydrophobicContact SD-CH2 4.23Å; M26-W539 HydrophobicContact SD-CZ3 4.41Å; I137-W539 HydrophobicContact CD1-CZ3 4.09Å; F186-W539 HydrophobicContact CD2-CZ2 4.44Å; F186-W539 HydrophobicContact CE2-CH2 4.04Å; F186-W539 AromaticContact CE2-CZ2 3.98Å; F186-W539 HydrophobicContact CE2-CZ2 3.98Å; S189-W539 PolarHBondContact O-NE1 3.18Å; S189-W539 PolarHBondContact OG-NE1 3.39Å; L190-W539 HydrophobicContact CD2-CH2 4.14Å; L190-W539 HydrophobicContact CD2-CZ2 3.52Å; L190-W539 HydrophobicContact CG-CZ2 4.36Å; N193-W539 HydrophobicContact CB-CB 4.47Å; N193-W539 HydrophobicContact CB-CG 4.03Å; N193-W539 VanDerWaalsContact ND2-CG 3.3Å; P535-W539 VanDerWaalsContact O-CB 3.27Å; P535-W539 WeakPolarHBondContact O-CB 3.27Å; P535-W539 PolarHBondContact O-N 3.47Å; I536-W539 HydrophobicContact CG2-CE3 4.33Å; E537-W539 VanDerWaalsContact C-N 3.32Å; E537-W539 PolarHBondContact O-N 3.16Å; W539-F541 VanDerWaalsContact C-N 3.34Å; W539-L543 HydrophobicContact CH2-CD2 3.84Å; W539-L543 HydrophobicContact CZ2-CD2 3.51Å; W539-L543 WeakPolarHBondContact O-CB 3.32Å; W539-L543 PolarHBondContact O-N 3.49Å
540	L	90.9	Very high	83.4	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-39.7	178.4	-177.2	69.6	0	0	0	111.3	I137 I536 E537 L544	I137-L540 HydrophobicContact CB-CD2 4.34Å; I137-L540 HydrophobicContact CD1-CD1 4.19Å; I137-L540 HydrophobicContact CG2-CD2 3.95Å; I536-L540 VanDerWaalsContact O-CB 3.24Å; I536-L540 WeakPolarHBondContact O-CB 3.33Å; I536-L540 PolarHBondContact O-N 3.32Å; E537-L540 PolarHBondContact O-N 3.1Å; L540-L544 HydrophobicContact CD1-CD1 3.59Å; L540-L544 HydrophobicContact CD1-CG 4.08Å; L540-L544 HydrophobicContact CG-CD1 4.12Å; L540-L544 VanDerWaalsContact O-CB 3.27Å; L540-L544 WeakPolarHBondContact O-CB 3.24Å; L540-L544 WeakPolarHBondContact O-CG 3.37Å; L540-L544 PolarHBondContact O-N 3.21Å
541	F	88.4	Confident	81.7	Confident	18 Å²	18	28.2 Å²	28.2	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-73.5	-33.9	-179.2	-73.2	11.9	0	0	0	112.2	E537 A538 W539 C545 L546 D547	E537-F541 HydrophobicContact CG-CD1 4.03Å; E537-F541 HydrophobicContact CG-CD2 3.99Å; E537-F541 HydrophobicContact CG-CE1 3.74Å; E537-F541 HydrophobicContact CG-CE2 3.7Å; E537-F541 HydrophobicContact CG-CG 4.18Å; E537-F541 HydrophobicContact CG-CZ 3.57Å; E537-F541 WeakPolarHBondContact O-CB 3.25Å; E537-F541 WeakPolarHBondContact O-CD1 3.41Å; E537-F541 WeakPolarHBondContact O-CG 3.41Å; E537-F541 PolarHBondContact O-N 3.36Å; E537-F541 WeakPolarHBondContact OE1-CZ 3.4Å; A538-F541 PolarHBondContact O-N 3.47Å; W539-F541 VanDerWaalsContact C-N 3.34Å; F541-C545 VanDerWaalsContact O-CA 3.31Å; F541-C545 WeakPolarHBondContact O-CA 3.48Å; F541-C545 PolarHBondContact O-N 3.31Å; F541-L546 HydrophobicContact CB-CB 4.31Å; F541-L546 HydrophobicContact CD1-CB 4.18Å; F541-L546 HydrophobicContact CD1-CD1 3.62Å; F541-L546 HydrophobicContact CD1-CG 4.49Å; F541-L546 HydrophobicContact CE1-CD1 3.93Å; F541-L546 HydrophobicContact CG-CB 4.18Å; F541-L546 HydrophobicContact CG-CD1 4.43Å; F541-L546 PolarHBondContact O-N 2.88Å; F541-D547 WeakPolarHBondContact CB-OD2 3.32Å; F541-D547 VanDerWaalsContact CD2-OD1 3.24Å; F541-D547 WeakPolarHBondContact CD2-OD1 3.39Å; F541-D547 WeakPolarHBondContact CD2-OD2 3.34Å
542	D	88.8	Confident	80.3	Confident	60 Å²	60	28.6 Å²	28.6	32%	0.321	18%	0.178	S	C	.	.	H	α-helix	trans	-68.1	-52	170.6	-175	38.4	0	0	0	111.3	R185 A538 L544 C545 H593	R185-D542 PolarHBondContact NH2-O 3.24Å; A538-D542 WeakPolarHBondContact O-CB 3.45Å; A538-D542 PolarHBondContact O-N 3.4Å; D542-L544 PolarHBondContact O-N 3.07Å; D542-C545 PolarHBondContact O-N 3.42Å; D542-H593 PolarHBondContact O-CE1 2.81Å; D542-H593 PolarHBondContact O-NE2 3.43Å; D542-H593 IonicContact OD1-CD2 3.47Å; D542-H593 IonicContact OD1-CE1 2.76Å; D542-H593 IonicContact OD1-NE2 3.52Å; D542-H593 PolarHBondContact OD1-NE2 3.3Å
543	L	90.7	Very high	78.8	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-58	-44.5	178.3	172.3	64.7	0	0	0	112.5	F182 R185 F186 W539	F182-L543 HydrophobicContact CZ-CD1 4.48Å; R185-L543 PolarHBondContact NH1-O 3.22Å; R185-L543 PolarHBondContact NH2-O 3.29Å; F186-L543 HydrophobicContact CD2-CD2 3.77Å; F186-L543 HydrophobicContact CE2-CD2 4.16Å; W539-L543 HydrophobicContact CH2-CD2 3.84Å; W539-L543 HydrophobicContact CZ2-CD2 3.51Å; W539-L543 WeakPolarHBondContact O-CB 3.32Å; W539-L543 PolarHBondContact O-N 3.49Å
544	L	89.1	Confident	77	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.2	-176.6	-60.2	-173.1	0	0	0	114.1	P130 A134 F182 L540 D542 L546 P608	P130-L544 HydrophobicContact CB-CD2 3.81Å; A134-L544 HydrophobicContact CB-CD1 3.84Å; F182-L544 HydrophobicContact CZ-CD2 4.38Å; L540-L544 HydrophobicContact CD1-CD1 3.59Å; L540-L544 HydrophobicContact CD1-CG 4.08Å; L540-L544 HydrophobicContact CG-CD1 4.12Å; L540-L544 VanDerWaalsContact O-CB 3.27Å; L540-L544 WeakPolarHBondContact O-CB 3.24Å; L540-L544 WeakPolarHBondContact O-CG 3.37Å; L540-L544 PolarHBondContact O-N 3.21Å; D542-L544 PolarHBondContact O-N 3.07Å; L544-L546 HydrophobicContact CB-CD1 4.1Å; L544-L546 HydrophobicContact CB-CG 3.93Å; L544-L546 HydrophobicContact CD1-CD1 4.5Å; L544-L546 PolarHBondContact O-N 2.82Å; L544-P608 HydrophobicContact CD1-CB 4.26Å; L544-P608 HydrophobicContact CD2-CB 4.35Å
545	C	86.1	Confident	75	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	53.7	179.6	-61.2	0	0	0	0	112.8	F541 D542 C548 M596	F541-C545 VanDerWaalsContact O-CA 3.31Å; F541-C545 WeakPolarHBondContact O-CA 3.48Å; F541-C545 PolarHBondContact O-N 3.31Å; D542-C545 PolarHBondContact O-N 3.42Å; C545-C548 VanDerWaalsContact C-SG 3.6Å; C545-C548 PolarHBondContact O-SG 2.94Å; C545-M596 HydrophobicContact CB-CB 3.9Å; C545-M596 HydrophobicContact CB-CG 3.77Å
546	L	79.1	Confident	72.8	Confident	20 Å²	20	39.5 Å²	39.5	11%	0.105	20%	0.202	C	C	.	.			trans	-90.9	-29.5	-174.2	-67.9	173.9	0	0	0	114.4	F541 L544 C548 P608	F541-L546 HydrophobicContact CB-CB 4.31Å; F541-L546 HydrophobicContact CD1-CB 4.18Å; F541-L546 HydrophobicContact CD1-CD1 3.62Å; F541-L546 HydrophobicContact CD1-CG 4.49Å; F541-L546 HydrophobicContact CE1-CD1 3.93Å; F541-L546 HydrophobicContact CG-CB 4.18Å; F541-L546 HydrophobicContact CG-CD1 4.43Å; F541-L546 PolarHBondContact O-N 2.88Å; L544-L546 HydrophobicContact CB-CD1 4.1Å; L544-L546 HydrophobicContact CB-CG 3.93Å; L544-L546 HydrophobicContact CD1-CD1 4.5Å; L544-L546 PolarHBondContact O-N 2.82Å; L546-C548 PolarHBondContact O-N 3.27Å; L546-C548 VanDerWaalsContact O-N 3.14Å; L546-P608 HydrophobicContact CD2-CG 4.47Å
547	D	73.6	Confident	70.3	Confident	64 Å²	64	46.7 Å²	46.7	34%	0.342	24%	0.236	S	C	.	.	S	Bend	trans	-81.8	15.7	179.9	-63.1	-35.8	0	0	0	113.9	N456 F541 G549 E550	N456-D547 PolarHBondContact ND2-OD1 3.48Å; F541-D547 WeakPolarHBondContact CB-OD2 3.32Å; F541-D547 VanDerWaalsContact CD2-OD1 3.24Å; F541-D547 WeakPolarHBondContact CD2-OD1 3.39Å; F541-D547 WeakPolarHBondContact CD2-OD2 3.34Å; D547-G549 PolarHBondContact O-N 3.35Å; D547-E550 PolarHBondContact O-N 3.42Å
548	C	63.1	Low	68.1	Low	3 Å²	3	49.5 Å²	49.5	2%	0.02	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	64.9	-169.3	-79.6	0	0	0	0	114.5	C545 L546 H593 A597	C545-C548 VanDerWaalsContact C-SG 3.6Å; C545-C548 PolarHBondContact O-SG 2.94Å; L546-C548 PolarHBondContact O-N 3.27Å; L546-C548 VanDerWaalsContact O-N 3.14Å; C548-H593 PolarHBondContact SG-ND1 3.48Å; C548-H593 PolarHBondContact SG-O 3.48Å; C548-A597 HydrophobicContact CB-CB 3.75Å; C548-A597 WeakPolarHBondContact O-CA 3.48Å; C548-A597 VanDerWaalsContact O-CB 3.27Å; C548-A597 WeakPolarHBondContact O-CB 3.48Å
549	G	58.7	Low	66	Low	1 Å²	1	50.3 Å²	50.3	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	176.5	-7.7	168.1	0	0	0	0	0	115.3	R463 D547 S551 L552 S553	R463-G549 VanDerWaalsContact NH2-CA 3.32Å; D547-G549 PolarHBondContact O-N 3.35Å; G549-S551 PolarHBondContact N-OG 3.37Å; G549-L552 PolarHBondContact O-N 2.83Å; G549-S553 PolarHBondContact O-N 2.97Å; G549-S553 PolarHBondContact O-OG 2.88Å
550	E	56.6	Low	63.5	Low	128 Å²	128	56.7 Å²	56.7	60%	0.598	29%	0.288	S	S	*	.	H	α-helix	trans	-63.8	-35.1	154.8	-73.3	-171.8	-166.7	0	0	109.9	D547 L552 S553 R554	D547-E550 PolarHBondContact O-N 3.42Å; E550-L552 PolarHBondContact O-N 3.42Å; E550-S553 PolarHBondContact O-N 3.39Å; E550-R554 WeakPolarHBondContact O-CB 3.07Å; E550-R554 PolarHBondContact O-N 3.39Å
551	S	53.6	Low	61.1	Low	41 Å²	41	60.8 Å²	60.8	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-50.8	-53.6	168.5	47.8	0	0	0	0	112.6	G549 S553 R554 E555	G549-S551 PolarHBondContact N-OG 3.37Å; S551-S553 PolarHBondContact O-N 3.05Å; S551-R554 PolarHBondContact O-N 3.25Å; S551-E555 WeakPolarHBondContact O-CG 3.38Å; S551-E555 PolarHBondContact O-N 3.07Å
552	L	56.9	Low	58.8	Low	24 Å²	24	66.7 Å²	66.7	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-46.4	178	-62.4	173.9	0	0	0	112	G549 E550 Q556 A597	G549-L552 PolarHBondContact O-N 2.83Å; E550-L552 PolarHBondContact O-N 3.42Å; L552-Q556 PolarHBondContact O-N 2.8Å; L552-A597 HydrophobicContact CD1-CB 3.89Å; L552-A597 HydrophobicContact CD2-CB 4.19Å; L552-A597 HydrophobicContact CG-CB 3.96Å
553	S	53.3	Low	57.2	Low	48 Å²	48	69.2 Å²	69.2	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-72	-33.2	-178.3	-57.2	0	0	0	0	113.7	G549 E550 S551 Q556 Q557	G549-S553 PolarHBondContact O-N 2.97Å; G549-S553 PolarHBondContact O-OG 2.88Å; E550-S553 PolarHBondContact O-N 3.39Å; S551-S553 PolarHBondContact O-N 3.05Å; S553-Q556 WeakPolarHBondContact O-CB 3.45Å; S553-Q556 PolarHBondContact O-N 2.96Å; S553-Q557 PolarHBondContact O-N 3.25Å; S553-Q557 VanDerWaalsContact O-N 3.1Å
554	R	45.6	Very low	55.7	Low	187 Å²	187	77.3 Å²	77.3	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-77.9	-30.9	-179	-170.2	173.8	-177	169.8	0.8	112.1	E550 S551 A558	E550-R554 WeakPolarHBondContact O-CB 3.07Å; E550-R554 PolarHBondContact O-N 3.39Å; S551-R554 PolarHBondContact O-N 3.25Å; R554-A558 PolarHBondContact O-N 3.06Å
555	E	47.3	Very low	54.9	Low	63 Å²	63	80.1 Å²	80.1	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-67.7	-36.9	167.5	-71.8	179.1	177	0	0	110.9	S551 A558 N559 R594	S551-E555 WeakPolarHBondContact O-CG 3.38Å; S551-E555 PolarHBondContact O-N 3.07Å; E555-A558 PolarHBondContact O-N 3.47Å; E555-N559 WeakPolarHBondContact O-CB 3.19Å; E555-N559 PolarHBondContact O-N 3.28Å; E555-N559 PolarHBondContact O-ND2 3.17Å; E555-R594 IonicContact OE1-CZ 2.59Å; E555-R594 IonicContact OE1-NE 2.73Å; E555-R594 PolarHBondContact OE1-NE 3.12Å; E555-R594 IonicContact OE1-NH2 3.09Å; E555-R594 PolarHBondContact OE1-NH2 2.91Å; E555-R594 IonicContact OE2-CZ 2.87Å; E555-R594 IonicContact OE2-NE 2.86Å; E555-R594 IonicContact OE2-NH2 2.67Å
556	Q	44.6	Very low	54.6	Low	76 Å²	76	80.3 Å²	80.3	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-48.4	170.7	-72.8	178.9	-23.9	0	0	112.4	L552 S553 A558 N559 E560	L552-Q556 PolarHBondContact O-N 2.8Å; S553-Q556 WeakPolarHBondContact O-CB 3.45Å; S553-Q556 PolarHBondContact O-N 2.96Å; Q556-A558 PolarHBondContact O-N 3.02Å; Q556-N559 CarbonylContact O-C 3.56Å; Q556-N559 PolarHBondContact O-N 3.35Å; Q556-E560 WeakPolarHBondContact O-CG 3.39Å; Q556-E560 PolarHBondContact O-N 3.22Å
557	Q	40.4	Very low	54.8	Low	151 Å²	151	82.4 Å²	82.4	71%	0.706	43%	0.429	S	S	*	.	H	α-helix	trans	-63.5	-24.3	178.2	-71.8	-178.8	-10.6	0	0	114.2	S553	S553-Q557 PolarHBondContact O-N 3.25Å; S553-Q557 VanDerWaalsContact O-N 3.1Å
558	A	43.6	Very low	55.4	Low	75 Å²	75	81 Å²	81	62%	0.62	42%	0.423	S	S	*	.	H	α-helix	trans	-82.9	-33.9	171.8	0	0	0	0	0	112.7	R554 E555 Q556	R554-A558 PolarHBondContact O-N 3.06Å; E555-A558 PolarHBondContact O-N 3.47Å; Q556-A558 PolarHBondContact O-N 3.02Å
559	N	44.1	Very low	56.4	Low	78 Å²	78	86.7 Å²	86.7	42%	0.417	45%	0.453	S	S	.	.	H	α-helix	trans	-100.5	-1	-171.5	-63	-13.8	0	0	0	114.3	E555 Q556 A561 N562 I563	E555-N559 WeakPolarHBondContact O-CB 3.19Å; E555-N559 PolarHBondContact O-N 3.28Å; E555-N559 PolarHBondContact O-ND2 3.17Å; Q556-N559 CarbonylContact O-C 3.56Å; Q556-N559 PolarHBondContact O-N 3.35Å; N559-A561 PolarHBondContact O-N 3.25Å; N559-N562 CarbonylContact O-C 3.29Å; N559-N562 PolarHBondContact O-N 2.86Å; N559-I563 WeakPolarHBondContact O-CG1 3.35Å; N559-I563 PolarHBondContact O-N 2.92Å
560	E	38.9	Very low	57.8	Low	147 Å²	147	91.4 Å²	91.4	69%	0.687	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.9	177.5	-100.3	174.7	-147.5	0	0	113.7	Q556	Q556-E560 WeakPolarHBondContact O-CG 3.39Å; Q556-E560 PolarHBondContact O-N 3.22Å
561	A	40.8	Very low	59.3	Low	88 Å²	88	85.3 Å²	85.3	73%	0.727	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.3	173.7	0	0	0	0	0	115.3	N559	N559-A561 PolarHBondContact O-N 3.25Å
562	N	40	Very low	61	Low	142 Å²	142	88.3 Å²	88.3	76%	0.759	46%	0.456	S	S	*	.			trans	-153	59.6	-171.8	-86.4	-46.5	0	0	0	113	N559 Y564	N559-N562 CarbonylContact O-C 3.29Å; N559-N562 PolarHBondContact O-N 2.86Å; N562-Y564 VanDerWaalsContact C-N 3.32Å; N562-Y564 PolarHBondContact O-N 3.05Å
563	I	54.5	Low	62.7	Low	113 Å²	113	87.6 Å²	87.6	58%	0.579	45%	0.452	S	S	*	.			trans	-76.2	82.6	172	-53.9	-178	0	0	0	109.9	N559 L565	N559-I563 WeakPolarHBondContact O-CG1 3.35Å; N559-I563 PolarHBondContact O-N 2.92Å; I563-L565 HydrophobicContact CG2-CD1 3.48Å; I563-L565 VanDerWaalsContact CG2-CD1 3.48Å; I563-L565 PolarHBondContact O-N 3.11Å
564	Y	60.9	Low	64.6	Low	173 Å²	173	86.2 Å²	86.2	68%	0.678	44%	0.44	S	S	*	.			trans	-82.6	92.9	171.5	-178.4	-97	0	0	0	110.3	N562 P566	N562-Y564 VanDerWaalsContact C-N 3.32Å; N562-Y564 PolarHBondContact O-N 3.05Å; Y564-P566 HydrophobicContact CE1-CB 4.28Å; Y564-P566 WeakPolarHBondContact O-CD 3.48Å
565	L	70.6	Confident	66.9	Low	59 Å²	59	78.4 Å²	78.4	31%	0.309	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-78	117.8	168.5	-105.8	71.2	0	0	0	109.8	I563 Y701 L704 Y706	I563-L565 HydrophobicContact CG2-CD1 3.48Å; I563-L565 VanDerWaalsContact CG2-CD1 3.48Å; I563-L565 PolarHBondContact O-N 3.11Å; L565-Y701 HydrophobicContact CD1-CE1 3.85Å; L565-Y701 HydrophobicContact CD2-CD1 4.31Å; L565-Y701 HydrophobicContact CD2-CE1 4.43Å; L565-L704 HydrophobicContact CD2-CD1 3.36Å; L565-Y706 HydrophobicContact CD2-CE2 4.05Å
566	P	80	Confident	69.1	Low	5 Å²	5	75.4 Å²	75.4	3%	0.032	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-68.5	143.8	175.2	29.6	-35.2	0	0	0	110.2	Y564 A627 P628 L640 Y706	Y564-P566 HydrophobicContact CE1-CB 4.28Å; Y564-P566 WeakPolarHBondContact O-CD 3.48Å; P566-A627 HydrophobicContact CG-CB 3.91Å; P566-P628 HydrophobicContact CB-CG 4.19Å; P566-L640 HydrophobicContact CG-CD1 3.95Å; P566-Y706 PolarHBondContact O-OH 3.36Å
567	P	84.2	Confident	71.3	Confident	64 Å²	64	73.5 Å²	73.5	42%	0.416	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.9	142.5	173.2	27	-34.5	0	0	0	110.3	D569 Q570	P567-D569 PolarHBondContact O-N 3.05Å; P567-Q570 HydrophobicContact CG-CB 4.3Å; P567-Q570 VanDerWaalsContact CG-CD 3.46Å; P567-Q570 HydrophobicContact CG-CG 3.86Å; P567-Q570 PolarHBondContact O-N 3.32Å
568	V	85.3	Confident	73.7	Confident	35 Å²	35	67.3 Å²	67.3	21%	0.212	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-54.3	-34	-170.1	178.2	0	0	0	0	112.8	Q570 C571 L704 Y706 R709	V568-Q570 PolarHBondContact O-N 2.92Å; V568-C571 WeakPolarHBondContact O-CB 3.48Å; V568-C571 PolarHBondContact O-N 3.04Å; V568-L704 VanDerWaalsContact CG2-O 3.29Å; V568-L704 WeakPolarHBondContact CG2-O 3.21Å; V568-Y706 HydrophobicContact CG2-CD1 4.02Å; V568-Y706 HydrophobicContact CG2-CE1 3.89Å; V568-R709 HydrophobicContact CG1-CB 3.35Å; V568-R709 HydrophobicContact CG1-CG 3.71Å; V568-R709 WeakPolarHBondContact O-CG 3.33Å; V568-R709 PolarHBondContact O-NE 3Å
569	D	85.6	Confident	75.9	Confident	123 Å²	123	66.5 Å²	66.5	66%	0.658	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-70.4	-28.5	-179	-58.3	-58.1	0	0	0	113.7	P567 C571 R709	P567-D569 PolarHBondContact O-N 3.05Å; D569-C571 VanDerWaalsContact C-N 3.29Å; D569-C571 PolarHBondContact O-N 3.1Å; D569-R709 PolarHBondContact O-NH2 3.12Å
570	Q	86.1	Confident	78.1	Confident	100 Å²	100	63 Å²	63	47%	0.467	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-75.8	-15.7	176.5	-70.9	178.1	-0.6	0	0	113.4	P567 V568 P628	P567-Q570 HydrophobicContact CG-CB 4.3Å; P567-Q570 VanDerWaalsContact CG-CD 3.46Å; P567-Q570 HydrophobicContact CG-CG 3.86Å; P567-Q570 PolarHBondContact O-N 3.32Å; V568-Q570 PolarHBondContact O-N 2.92Å; Q570-P628 HydrophobicContact CB-CG 4.43Å
571	C	88.7	Confident	80.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.			trans	-76.6	128.8	-176.4	-58.5	0	0	0	0	110.9	V568 D569 L625	V568-C571 WeakPolarHBondContact O-CB 3.48Å; V568-C571 PolarHBondContact O-N 3.04Å; D569-C571 VanDerWaalsContact C-N 3.29Å; D569-C571 PolarHBondContact O-N 3.1Å; C571-L625 HydrophobicContact CB-CD1 4.01Å; C571-L625 HydrophobicContact CB-CD2 3.96Å; C571-L625 HydrophobicContact CB-CG 3.92Å
572	Q	89.6	Confident	83.1	Confident	104 Å²	104	52 Å²	52	49%	0.486	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.1	-179.6	-66.1	-172.4	0.7	0	0	111.2	Y574 L625 L626	Q572-Y574 HydrophobicContact CB-CD2 4.46Å; Q572-Y574 HydrophobicContact CB-CE2 3.75Å; Q572-Y574 PolarHBondContact OE1-OH 2.7Å; Q572-L625 WeakPolarHBondContact O-CA 3.5Å; Q572-L626 PolarHBondContact N-O 3.01Å; Q572-L626 PolarHBondContact O-N 3.04Å
573	L	93	Very high	85.4	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.1	176.6	-173.9	68.8	0	0	0	108.6	F623 L625 L643 A710 L713 L714 L822	L573-F623 HydrophobicContact CD1-CB 3.77Å; L573-F623 HydrophobicContact CD2-CB 4.29Å; L573-F623 HydrophobicContact CG-CB 4.04Å; L573-L625 HydrophobicContact CB-CD1 4.27Å; L573-L625 HydrophobicContact CD1-CB 4.29Å; L573-L643 HydrophobicContact CD1-CD1 4.32Å; L573-L643 HydrophobicContact CD2-CD1 4.35Å; L573-A710 HydrophobicContact CD1-CB 4.4Å; L573-L713 HydrophobicContact CB-CB 3.98Å; L573-L713 HydrophobicContact CB-CD1 3.79Å; L573-L713 HydrophobicContact CD2-CB 3.85Å; L573-L714 HydrophobicContact CD2-CB 4.23Å; L573-L714 HydrophobicContact CD2-CD1 4.47Å; L573-L822 HydrophobicContact CB-CD1 4.04Å; L573-L822 HydrophobicContact CD2-CD1 4.17Å; L573-L822 HydrophobicContact CG-CD1 4.29Å; L573-L822 WeakPolarHBondContact O-CG 3.36Å
574	Y	93	Very high	87	Confident	19 Å²	19	41.1 Å²	41.1	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.9	178.9	-66	-96.2	0	0	0	110.3	Q572 F623 C624 L626 Y629 L819 R821	Q572-Y574 HydrophobicContact CB-CD2 4.46Å; Q572-Y574 HydrophobicContact CB-CE2 3.75Å; Q572-Y574 PolarHBondContact OE1-OH 2.7Å; Y574-F623 CarbonylContact O-C 3.5Å; Y574-F623 WeakPolarHBondContact O-CA 3.37Å; Y574-C624 PolarHBondContact N-O 3.07Å; Y574-C624 PolarHBondContact O-N 3.43Å; Y574-L626 HydrophobicContact CD2-CB 4.11Å; Y574-L626 HydrophobicContact CD2-CD1 3.62Å; Y574-L626 HydrophobicContact CD2-CG 3.79Å; Y574-L626 HydrophobicContact CE2-CB 4.04Å; Y574-L626 HydrophobicContact CE2-CD1 3.9Å; Y574-L626 HydrophobicContact CE2-CG 4.18Å; Y574-L626 HydrophobicContact CG-CD1 4.23Å; Y574-Y629 HydrophobicContact CE1-CE1 4.42Å; Y574-Y629 HydrophobicContact CE2-CE1 4.14Å; Y574-Y629 AromaticContact CZ-CE1 3.83Å; Y574-L819 HydrophobicContact CD1-CB 4.31Å; Y574-R821 HydrophobicContact CD1-CG 4.38Å; Y574-R821 HydrophobicContact CE1-CG 4.07Å
575	Y	93.7	Very high	88.2	Confident	23 Å²	23	37 Å²	37	9%	0.09	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.1	168	176	-115.3	0	0	0	109.7	H621 I622 F623 S820	Y575-H621 HydrophobicContact CE2-CB 3.89Å; Y575-H621 AromaticContact CE2-CG 4Å; Y575-H621 AromaticContact CE2-ND1 3.59Å; Y575-H621 AromaticContact CZ-ND1 3.66Å; Y575-H621 PolarHBondContact OH-ND1 2.94Å; Y575-I622 WeakPolarHBondContact CD2-O 3.4Å; Y575-F623 AromaticContact CD2-CD1 4Å; Y575-F623 HydrophobicContact CD2-CD1 4Å; Y575-F623 AromaticContact CD2-CE1 3.77Å; Y575-F623 HydrophobicContact CD2-CE1 3.77Å; Y575-F623 HydrophobicContact CD2-CZ 4.13Å; Y575-F623 HydrophobicContact CG-CD1 4.49Å; Y575-F623 HydrophobicContact CG-CE1 4.27Å; Y575-S820 PolarHBondContact N-O 3.14Å; Y575-S820 PolarHBondContact O-N 3.05Å
576	V	93	Very high	89	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.7	179.2	-174.3	0	0	0	0	109.8	L581 F591 I622 C624 L818 L819	V576-L581 HydrophobicContact CG1-CB 4.44Å; V576-L581 HydrophobicContact CG1-CD1 4.5Å; V576-L581 HydrophobicContact CG1-CD2 4.23Å; V576-F591 HydrophobicContact CG1-CE1 4.07Å; V576-F591 HydrophobicContact CG2-CE1 4.17Å; V576-F591 HydrophobicContact CG2-CZ 4.27Å; V576-I622 HydrophobicContact CB-CB 4.13Å; V576-I622 HydrophobicContact CB-CG2 4.05Å; V576-I622 HydrophobicContact CG2-CG2 4Å; V576-I622 PolarHBondContact N-O 3.42Å; V576-C624 HydrophobicContact CG2-CB 4.06Å; V576-C624 VanDerWaalsContact CG2-SG 3.57Å; V576-L818 WeakPolarHBondContact CA-O 3.34Å; V576-L818 HydrophobicContact CG1-CD1 4.04Å; V576-L819 HydrophobicContact CG2-CD2 4.08Å
577	N	91.7	Very high	89.3	Confident	35 Å²	35	44.2 Å²	44.2	19%	0.187	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-77.1	125.7	175.3	-166.5	-45.6	0	0	0	111	D579 T580 L581 P816 P817 L818	N577-D579 PolarHBondContact OD1-N 3.43Å; N577-T580 PolarHBondContact O-OG1 3.34Å; N577-L581 WeakPolarHBondContact O-CB 3.49Å; N577-L581 PolarHBondContact O-N 3.25Å; N577-L581 VanDerWaalsContact O-N 3.12Å; N577-P816 WeakPolarHBondContact ND2-CG 3.36Å; N577-P817 WeakPolarHBondContact CB-O 3.23Å; N577-L818 PolarHBondContact N-O 2.94Å
578	R	90.8	Very high	89.5	Confident	22 Å²	22	41.5 Å²	41.5	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-38.4	-177.4	-65.6	179	-68.2	-169.6	-6.4	112.9	T580 L581 F582 A617 P618 H620 I622	R578-T580 PolarHBondContact O-N 3.04Å; R578-L581 PolarHBondContact O-N 3.05Å; R578-F582 WeakPolarHBondContact O-CD2 3.49Å; R578-F582 PolarHBondContact O-N 3.3Å; R578-F582 VanDerWaalsContact O-N 3.15Å; R578-A617 PolarHBondContact NH1-O 2.87Å; R578-P618 VanDerWaalsContact CZ-O 3.32Å; R578-P618 PolarHBondContact NH1-O 3.08Å; R578-P618 PolarHBondContact NH2-O 3.35Å; R578-H620 PolarHBondContact NH1-O 3.11Å; R578-I622 HydrophobicContact CG-CD1 4.09Å
579	D	89.6	Confident	89.7	Confident	57 Å²	57	40.5 Å²	40.5	31%	0.305	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-30.9	-175.9	-64.4	-73.3	0	0	0	111.9	R181 N577	R181-D579 IonicContact CZ-OD1 2.7Å; R181-D579 VanDerWaalsContact CZ-OD1 3.23Å; R181-D579 IonicContact CZ-OD2 3.22Å; R181-D579 VanDerWaalsContact NE-CG 3.34Å; R181-D579 IonicContact NE-OD1 2.81Å; R181-D579 PolarHBondContact NE-OD1 3.4Å; R181-D579 IonicContact NE-OD2 3.5Å; R181-D579 IonicContact NH2-OD1 3.54Å; R181-D579 PolarHBondContact NH2-OD1 3.36Å; R181-D579 IonicContact NH2-OD2 2.92Å; R181-D579 PolarHBondContact NH2-OD2 2.83Å; R181-D579 VanDerWaalsContact NH2-OD2 3.12Å; N577-D579 PolarHBondContact OD1-N 3.43Å
580	T	91.2	Very high	89.8	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-86.5	-38.6	172.7	50.2	0	0	0	0	113.7	N577 R578 F582 S583 T588 L815 P816 L818	N577-T580 PolarHBondContact O-OG1 3.34Å; R578-T580 PolarHBondContact O-N 3.04Å; T580-F582 PolarHBondContact O-N 2.86Å; T580-S583 WeakPolarHBondContact O-CB 3.3Å; T580-S583 PolarHBondContact O-N 2.83Å; T580-S583 PolarHBondContact O-OG 3.22Å; T580-T588 WeakPolarHBondContact O-CG2 3.26Å; T580-L815 HydrophobicContact CG2-CB 3.7Å; T580-L815 HydrophobicContact CG2-CD1 4.44Å; T580-L815 HydrophobicContact CG2-CD2 4.23Å; T580-L815 HydrophobicContact CG2-CG 4.34Å; T580-P816 HydrophobicContact CG2-CG 4.02Å; T580-P816 WeakPolarHBondContact CG2-O 3.23Å; T580-L818 WeakPolarHBondContact OG1-CA 3.31Å
581	L	91.7	Very high	90	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-51.1	-42.7	175.3	-176.8	62.9	0	0	0	111.8	V576 N577 R578 T588 F591 L592 L614 I622 L818	V576-L581 HydrophobicContact CG1-CB 4.44Å; V576-L581 HydrophobicContact CG1-CD1 4.5Å; V576-L581 HydrophobicContact CG1-CD2 4.23Å; N577-L581 WeakPolarHBondContact O-CB 3.49Å; N577-L581 PolarHBondContact O-N 3.25Å; N577-L581 VanDerWaalsContact O-N 3.12Å; R578-L581 PolarHBondContact O-N 3.05Å; L581-T588 PolarHBondContact O-OG1 3.34Å; L581-F591 HydrophobicContact CD1-CD1 3.79Å; L581-F591 HydrophobicContact CD1-CE1 4.37Å; L581-L592 HydrophobicContact CD1-CB 4.01Å; L581-L592 HydrophobicContact CD1-CD1 4.15Å; L581-L592 HydrophobicContact CD2-CD1 4.16Å; L581-L592 HydrophobicContact CG-CD1 4.12Å; L581-L614 HydrophobicContact CD2-CD2 4.09Å; L581-I622 HydrophobicContact CD2-CD1 3.89Å; L581-L818 HydrophobicContact CB-CD1 4.06Å; L581-L818 HydrophobicContact CD1-CD1 4.3Å
582	F	91.6	Very high	90.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.9	-178.7	-68.7	-72.6	0	0	0	115.4	R181 R578 T580 Y584 L592 L611 L614 S615	R181-F582 HydrophobicContact CB-CB 4.11Å; R181-F582 HydrophobicContact CB-CD2 4.48Å; R181-F582 HydrophobicContact CB-CG 4.38Å; R578-F582 WeakPolarHBondContact O-CD2 3.49Å; R578-F582 PolarHBondContact O-N 3.3Å; R578-F582 VanDerWaalsContact O-N 3.15Å; T580-F582 PolarHBondContact O-N 2.86Å; F582-Y584 PolarHBondContact O-N 3.3Å; F582-L592 HydrophobicContact CD1-CD2 4.26Å; F582-L592 HydrophobicContact CE1-CD1 4.25Å; F582-L592 HydrophobicContact CE1-CD2 3.95Å; F582-L592 HydrophobicContact CZ-CD1 4.29Å; F582-L611 HydrophobicContact CE1-CD1 3.87Å; F582-L611 HydrophobicContact CE1-CG 4.37Å; F582-L611 HydrophobicContact CZ-CD1 4.16Å; F582-L614 HydrophobicContact CE2-CD2 3.81Å; F582-L614 HydrophobicContact CZ-CD2 3.57Å; F582-S615 VanDerWaalsContact CZ-CB 3.47Å
583	S	88.1	Confident	90.1	Very high	8 Å²	8	30.5 Å²	30.5	6%	0.056	15%	0.149	C	C	.	.	S	Bend	trans	-70.8	4.1	-177.3	66.3	0	0	0	0	116	T580 H585	T580-S583 WeakPolarHBondContact O-CB 3.3Å; T580-S583 PolarHBondContact O-N 2.83Å; T580-S583 PolarHBondContact O-OG 3.22Å; S583-H585 VanDerWaalsContact C-N 3.29Å; S583-H585 PolarHBondContact O-N 2.83Å
584	Y	87.7	Confident	89.8	Confident	18 Å²	18	32.3 Å²	32.3	7%	0.071	16%	0.155	C	C	.	.			trans	53.9	38.7	-176.4	-158.9	-119.8	0	0	0	114.3	R185 L188 S192 F582 E589 R809	R185-Y584 HydrophobicContact CG-CD2 4.03Å; L188-Y584 HydrophobicContact CB-CD1 3.67Å; L188-Y584 HydrophobicContact CB-CE1 4.41Å; L188-Y584 HydrophobicContact CB-CG 4.03Å; L188-Y584 WeakPolarHBondContact O-CE1 3.42Å; S192-Y584 PolarHBondContact OG-OH 2.92Å; F582-Y584 PolarHBondContact O-N 3.3Å; Y584-E589 WeakPolarHBondContact CA-OE1 3.3Å; Y584-E589 HydrophobicContact CD2-CG 3.91Å; Y584-E589 WeakPolarHBondContact CD2-OE1 3.42Å; Y584-E589 HydrophobicContact CE2-CG 4.21Å; Y584-R809 PolarHBondContact O-NE 3.39Å; Y584-R809 PolarHBondContact O-NH2 2.82Å
585	H	88	Confident	89.6	Confident	86 Å²	86	31.5 Å²	31.5	40%	0.398	15%	0.152	S	C	.	.			trans	-91	145.2	173.7	-173.8	-102.7	0	0	0	111.6	S583 S587 T588 E589	S583-H585 VanDerWaalsContact C-N 3.29Å; S583-H585 PolarHBondContact O-N 2.83Å; H585-S587 VanDerWaalsContact C-N 3.27Å; H585-S587 PolarHBondContact CE1-OG 2.97Å; H585-S587 PolarHBondContact ND1-N 2.99Å; H585-S587 PolarHBondContact ND1-OG 3.15Å; H585-S587 PolarHBondContact O-N 3.03Å; H585-S587 VanDerWaalsContact O-N 3.11Å; H585-T588 HydrophobicContact CB-CG2 4.08Å; H585-T588 PolarHBondContact N-OG1 3.43Å; H585-T588 PolarHBondContact O-N 3.36Å; H585-T588 PolarHBondContact O-OG1 3.37Å; H585-E589 WeakPolarHBondContact O-CG 3.41Å; H585-E589 PolarHBondContact O-N 3.5Å
586	K	86	Confident	89.3	Confident	164 Å²	164	31 Å²	31	71%	0.713	15%	0.151	S	C	*	.	H	α-helix	trans	-57.9	-35.4	-170.8	-171	178	179.1	-176.7	0	113.7	I590	K586-I590 WeakPolarHBondContact O-CD1 3.22Å; K586-I590 WeakPolarHBondContact O-CG1 3.42Å; K586-I590 PolarHBondContact O-N 3.37Å
587	S	86.6	Confident	88.8	Confident	51 Å²	51	31 Å²	31	36%	0.357	15%	0.151	S	C	.	.	H	α-helix	trans	-78.6	-31.2	175.7	57.2	0	0	0	0	113.7	H585 F591	H585-S587 VanDerWaalsContact C-N 3.27Å; H585-S587 PolarHBondContact CE1-OG 2.97Å; H585-S587 PolarHBondContact ND1-N 2.99Å; H585-S587 PolarHBondContact ND1-OG 3.15Å; H585-S587 PolarHBondContact O-N 3.03Å; H585-S587 VanDerWaalsContact O-N 3.11Å; S587-F591 PolarHBondContact O-N 3.28Å; S587-F591 VanDerWaalsContact O-N 3.11Å
588	T	88.8	Confident	88.5	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-74.9	-35.7	179.9	66.3	0	0	0	0	110.6	T580 L581 H585 F591 L592 L818	T580-T588 WeakPolarHBondContact O-CG2 3.26Å; L581-T588 PolarHBondContact O-OG1 3.34Å; H585-T588 HydrophobicContact CB-CG2 4.08Å; H585-T588 PolarHBondContact N-OG1 3.43Å; H585-T588 PolarHBondContact O-N 3.36Å; H585-T588 PolarHBondContact O-OG1 3.37Å; T588-F591 PolarHBondContact O-N 2.9Å; T588-L592 VanDerWaalsContact O-CB 3.25Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 PolarHBondContact O-N 2.95Å; T588-L818 HydrophobicContact CG2-CD1 4.34Å; T588-L818 HydrophobicContact CG2-CD2 4.31Å
589	E	89.1	Confident	88.3	Confident	13 Å²	13	28.7 Å²	28.7	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-45.2	171.6	-65.9	-56.2	139	0	0	112.1	R185 Y584 H585 F591 L592 H593	R185-E589 WeakPolarHBondContact CD-OE1 3.3Å; R185-E589 IonicContact CZ-OE1 3.66Å; R185-E589 IonicContact CZ-OE2 3.23Å; R185-E589 VanDerWaalsContact CZ-OE2 3.24Å; R185-E589 VanDerWaalsContact NE-CD 3.33Å; R185-E589 IonicContact NE-OE1 2.73Å; R185-E589 PolarHBondContact NE-OE1 3.2Å; R185-E589 IonicContact NE-OE2 2.85Å; R185-E589 PolarHBondContact NE-OE2 3.1Å; R185-E589 IonicContact NH2-OE2 3.12Å; R185-E589 PolarHBondContact NH2-OE2 2.95Å; Y584-E589 WeakPolarHBondContact CA-OE1 3.3Å; Y584-E589 HydrophobicContact CD2-CG 3.91Å; Y584-E589 WeakPolarHBondContact CD2-OE1 3.42Å; Y584-E589 HydrophobicContact CE2-CG 4.21Å; H585-E589 WeakPolarHBondContact O-CG 3.41Å; H585-E589 PolarHBondContact O-N 3.5Å; E589-F591 VanDerWaalsContact C-N 3.3Å; E589-F591 PolarHBondContact O-N 2.84Å; E589-L592 PolarHBondContact O-N 2.72Å; E589-H593 WeakPolarHBondContact O-CB 3.48Å; E589-H593 PolarHBondContact O-CD2 3.34Å; E589-H593 PolarHBondContact O-N 2.91Å
590	I	88.1	Confident	87.9	Confident	77 Å²	77	26.8 Å²	26.8	40%	0.395	13%	0.13	S	C	.	.	H	α-helix	trans	-60.6	-41	175.2	-67.7	166.6	0	0	0	111.2	K586 R594 V636	K586-I590 WeakPolarHBondContact O-CD1 3.22Å; K586-I590 WeakPolarHBondContact O-CG1 3.42Å; K586-I590 PolarHBondContact O-N 3.37Å; I590-R594 PolarHBondContact O-N 3.31Å; I590-V636 HydrophobicContact CG2-CB 4.45Å; I590-V636 HydrophobicContact CG2-CG1 4.45Å; I590-V636 HydrophobicContact CG2-CG2 4.2Å
591	F	90.1	Very high	87.3	Confident	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-40.3	176	-173.4	-93.8	0	0	0	112.2	V576 L581 S587 T588 E589 R594 L595 C624 V636 V639 L818 L819	V576-F591 HydrophobicContact CG1-CE1 4.07Å; V576-F591 HydrophobicContact CG2-CE1 4.17Å; V576-F591 HydrophobicContact CG2-CZ 4.27Å; L581-F591 HydrophobicContact CD1-CD1 3.79Å; L581-F591 HydrophobicContact CD1-CE1 4.37Å; S587-F591 PolarHBondContact O-N 3.28Å; S587-F591 VanDerWaalsContact O-N 3.11Å; T588-F591 PolarHBondContact O-N 2.9Å; E589-F591 VanDerWaalsContact C-N 3.3Å; E589-F591 PolarHBondContact O-N 2.84Å; F591-R594 PolarHBondContact O-N 3.15Å; F591-L595 HydrophobicContact CE1-CD1 4.15Å; F591-L595 VanDerWaalsContact O-CB 3.25Å; F591-L595 WeakPolarHBondContact O-CB 3.31Å; F591-L595 PolarHBondContact O-N 3.4Å; F591-C624 HydrophobicContact CZ-CB 4.42Å; F591-V636 HydrophobicContact CB-CG1 4.06Å; F591-V636 HydrophobicContact CD2-CG1 3.94Å; F591-V639 HydrophobicContact CD2-CG2 4.16Å; F591-V639 HydrophobicContact CE2-CG2 3.57Å; F591-V639 HydrophobicContact CZ-CG2 4.09Å; F591-L818 HydrophobicContact CB-CD2 4.49Å; F591-L818 HydrophobicContact CD1-CD2 4.22Å; F591-L818 HydrophobicContact CG-CD2 4.23Å; F591-L819 HydrophobicContact CE2-CD2 4.47Å; F591-L819 HydrophobicContact CZ-CD2 4Å
592	L	91.3	Very high	86.6	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-43.2	176.5	-178.4	59.8	0	0	0	111.9	L581 F582 T588 E589 L595 M596 L611	L581-L592 HydrophobicContact CD1-CB 4.01Å; L581-L592 HydrophobicContact CD1-CD1 4.15Å; L581-L592 HydrophobicContact CD2-CD1 4.16Å; L581-L592 HydrophobicContact CG-CD1 4.12Å; F582-L592 HydrophobicContact CD1-CD2 4.26Å; F582-L592 HydrophobicContact CE1-CD1 4.25Å; F582-L592 HydrophobicContact CE1-CD2 3.95Å; F582-L592 HydrophobicContact CZ-CD1 4.29Å; T588-L592 VanDerWaalsContact O-CB 3.25Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 PolarHBondContact O-N 2.95Å; E589-L592 PolarHBondContact O-N 2.72Å; L592-L595 HydrophobicContact CD1-CD2 4.42Å; L592-L595 PolarHBondContact O-N 3.34Å; L592-M596 WeakPolarHBondContact O-CB 3.48Å; L592-M596 PolarHBondContact O-N 3Å; L592-L611 HydrophobicContact CD1-CD1 3.94Å; L592-L611 HydrophobicContact CD2-CD1 4.38Å; L592-L611 HydrophobicContact CG-CD1 4.44Å
593	H	88.7	Confident	85.9	Confident	39 Å²	39	29.6 Å²	29.6	18%	0.181	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-44.4	172.7	-85.4	-76.4	0	0	0	111.9	D542 C548 E589 M596 A597	D542-H593 PolarHBondContact O-CE1 2.81Å; D542-H593 PolarHBondContact O-NE2 3.43Å; D542-H593 IonicContact OD1-CD2 3.47Å; D542-H593 IonicContact OD1-CE1 2.76Å; D542-H593 IonicContact OD1-NE2 3.52Å; D542-H593 PolarHBondContact OD1-NE2 3.3Å; C548-H593 PolarHBondContact SG-ND1 3.48Å; C548-H593 PolarHBondContact SG-O 3.48Å; E589-H593 WeakPolarHBondContact O-CB 3.48Å; E589-H593 PolarHBondContact O-CD2 3.34Å; E589-H593 PolarHBondContact O-N 2.91Å; H593-M596 PolarHBondContact O-N 2.78Å; H593-A597 WeakPolarHBondContact O-CB 3.13Å; H593-A597 PolarHBondContact O-N 2.86Å
594	R	86.3	Confident	84.9	Confident	47 Å²	47	30.9 Å²	30.9	18%	0.177	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-43	173.6	-78.2	-179.2	171.1	171.7	1.3	112.3	E555 I590 F591 A597 L598 V636 P637	E555-R594 IonicContact OE1-CZ 2.59Å; E555-R594 IonicContact OE1-NE 2.73Å; E555-R594 PolarHBondContact OE1-NE 3.12Å; E555-R594 IonicContact OE1-NH2 3.09Å; E555-R594 PolarHBondContact OE1-NH2 2.91Å; E555-R594 IonicContact OE2-CZ 2.87Å; E555-R594 IonicContact OE2-NE 2.86Å; E555-R594 IonicContact OE2-NH2 2.67Å; I590-R594 PolarHBondContact O-N 3.31Å; F591-R594 PolarHBondContact O-N 3.15Å; R594-A597 WeakPolarHBondContact O-CB 3.41Å; R594-A597 PolarHBondContact O-N 2.87Å; R594-L598 WeakPolarHBondContact O-CG 3.2Å; R594-L598 PolarHBondContact O-N 2.89Å; R594-V636 PolarHBondContact NH1-O 2.88Å; R594-P637 PolarHBondContact NH1-O 2.88Å
595	L	89.3	Confident	84.2	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-41.8	178.2	178.5	149.8	0	0	0	111.8	F591 L592 L598 Y599 L614 I622 V642	F591-L595 HydrophobicContact CE1-CD1 4.15Å; F591-L595 VanDerWaalsContact O-CB 3.25Å; F591-L595 WeakPolarHBondContact O-CB 3.31Å; F591-L595 PolarHBondContact O-N 3.4Å; L592-L595 HydrophobicContact CD1-CD2 4.42Å; L592-L595 PolarHBondContact O-N 3.34Å; L595-L598 PolarHBondContact O-N 2.89Å; L595-Y599 HydrophobicContact CD2-CD2 4.03Å; L595-Y599 HydrophobicContact CD2-CE2 3.48Å; L595-Y599 VanDerWaalsContact CD2-CE2 3.48Å; L595-Y599 HydrophobicContact CG-CE2 4.28Å; L595-Y599 PolarHBondContact O-N 3.23Å; L595-L614 HydrophobicContact CD2-CD1 4.33Å; L595-I622 HydrophobicContact CD1-CG2 4.03Å; L595-V642 HydrophobicContact CD1-CG1 4.2Å; L595-V642 HydrophobicContact CG-CG1 4.27Å; L595-V642 HydrophobicContact CG-CG2 4.26Å
596	M	87.8	Confident	83.7	Confident	11 Å²	11	30.5 Å²	30.5	5%	0.054	15%	0.147	C	C	.	.	H	α-helix	trans	-69.4	-36.8	174.7	-169.1	60.5	171.7	0	0	112.1	C545 L592 H593 L598 Y599 V600	C545-M596 HydrophobicContact CB-CB 3.9Å; C545-M596 HydrophobicContact CB-CG 3.77Å; L592-M596 WeakPolarHBondContact O-CB 3.48Å; L592-M596 PolarHBondContact O-N 3Å; H593-M596 PolarHBondContact O-N 2.78Å; M596-L598 PolarHBondContact O-N 3.11Å; M596-Y599 PolarHBondContact O-N 3.33Å; M596-Y599 VanDerWaalsContact O-N 3.1Å; M596-Y599 HydrophobicContact SD-CD2 4.26Å; M596-V600 HydrophobicContact CE-CG2 4.07Å; M596-V600 HydrophobicContact CG-CG2 4.16Å; M596-V600 WeakPolarHBondContact O-CG2 3.17Å; M596-V600 PolarHBondContact O-N 3.44Å; M596-V600 HydrophobicContact SD-CG2 4.38Å
597	A	83.2	Confident	83.5	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58	-37	174.1	0	0	0	0	0	112.8	C548 L552 H593 R594 S601	C548-A597 HydrophobicContact CB-CB 3.75Å; C548-A597 WeakPolarHBondContact O-CA 3.48Å; C548-A597 VanDerWaalsContact O-CB 3.27Å; C548-A597 WeakPolarHBondContact O-CB 3.48Å; L552-A597 HydrophobicContact CD1-CB 3.89Å; L552-A597 HydrophobicContact CD2-CB 4.19Å; L552-A597 HydrophobicContact CG-CB 3.96Å; H593-A597 WeakPolarHBondContact O-CB 3.13Å; H593-A597 PolarHBondContact O-N 2.86Å; R594-A597 WeakPolarHBondContact O-CB 3.41Å; R594-A597 PolarHBondContact O-N 2.87Å; A597-S601 WeakPolarHBondContact O-CB 3.49Å; A597-S601 PolarHBondContact O-N 2.94Å; A597-S601 PolarHBondContact O-OG 3.15Å
598	L	85	Confident	83.5	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-40.4	174.8	-66.5	168.5	0	0	0	111.9	R594 L595 M596 S601 S602 V639 V642 A696 H698	R594-L598 WeakPolarHBondContact O-CG 3.2Å; R594-L598 PolarHBondContact O-N 2.89Å; L595-L598 PolarHBondContact O-N 2.89Å; M596-L598 PolarHBondContact O-N 3.11Å; L598-S601 PolarHBondContact O-OG 3.21Å; L598-S602 VanDerWaalsContact O-CB 3.31Å; L598-S602 WeakPolarHBondContact O-CB 3.2Å; L598-S602 PolarHBondContact O-N 2.91Å; L598-S602 VanDerWaalsContact O-N 3.13Å; L598-S602 PolarHBondContact O-OG 3.22Å; L598-V639 HydrophobicContact CD1-CB 3.77Å; L598-V639 HydrophobicContact CD1-CG1 3.64Å; L598-V639 VanDerWaalsContact CD1-O 3.32Å; L598-V639 WeakPolarHBondContact CD1-O 3.26Å; L598-V642 HydrophobicContact CD1-CG2 3.91Å; L598-A696 HydrophobicContact CB-CB 3.95Å; L598-H698 HydrophobicContact CD2-CB 3.99Å
599	Y	86	Confident	83.5	Confident	4 Å²	4	23 Å²	23	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-45.2	173	-69	-47.7	0	0	0	112.4	L595 M596 S601 S602 H603 N606 L614 V642 R694 A696	L595-Y599 HydrophobicContact CD2-CD2 4.03Å; L595-Y599 HydrophobicContact CD2-CE2 3.48Å; L595-Y599 VanDerWaalsContact CD2-CE2 3.48Å; L595-Y599 HydrophobicContact CG-CE2 4.28Å; L595-Y599 PolarHBondContact O-N 3.23Å; M596-Y599 PolarHBondContact O-N 3.33Å; M596-Y599 VanDerWaalsContact O-N 3.1Å; M596-Y599 HydrophobicContact SD-CD2 4.26Å; Y599-S601 VanDerWaalsContact C-N 3.34Å; Y599-S601 PolarHBondContact O-N 3.5Å; Y599-S602 PolarHBondContact O-N 2.84Å; Y599-S602 PolarHBondContact O-OG 3.45Å; Y599-H603 PolarHBondContact O-N 3.47Å; Y599-H603 VanDerWaalsContact O-N 3.1Å; Y599-N606 PolarHBondContact O-ND2 2.96Å; Y599-N606 PolarHBondContact O-OD1 2.86Å; Y599-L614 HydrophobicContact CE2-CD1 3.63Å; Y599-V642 HydrophobicContact CE1-CB 4.47Å; Y599-V642 HydrophobicContact CE1-CG1 4.28Å; Y599-V642 VanDerWaalsContact OH-CG1 3.3Å; Y599-V642 WeakPolarHBondContact OH-CG1 3.18Å; Y599-R694 HydrophobicContact CD1-CB 4.16Å; Y599-R694 HydrophobicContact CE1-CB 3.71Å; Y599-R694 HydrophobicContact CE1-CG 4.44Å; Y599-A696 HydrophobicContact CD1-CB 3.64Å; Y599-A696 HydrophobicContact CE1-CB 4Å; Y599-A696 HydrophobicContact CG-CB 4.47Å
600	V	81.3	Confident	83.4	Confident	16 Å²	16	23.5 Å²	23.5	10%	0.097	12%	0.116	C	C	.	.	H	α-helix	trans	-65.9	-33.4	-178.7	175.6	0	0	0	0	112.4	R463 M596 N606	R463-V600 HydrophobicContact CB-CG1 4.17Å; M596-V600 HydrophobicContact CE-CG2 4.07Å; M596-V600 HydrophobicContact CG-CG2 4.16Å; M596-V600 WeakPolarHBondContact O-CG2 3.17Å; M596-V600 PolarHBondContact O-N 3.44Å; M596-V600 HydrophobicContact SD-CG2 4.38Å; V600-N606 WeakPolarHBondContact CA-ND2 3.43Å
601	S	78.3	Confident	83.5	Confident	5 Å²	5	20 Å²	20	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-82.4	-28.3	177.5	55.9	0	0	0	0	114.5	A597 L598 Y599	A597-S601 WeakPolarHBondContact O-CB 3.49Å; A597-S601 PolarHBondContact O-N 2.94Å; A597-S601 PolarHBondContact O-OG 3.15Å; L598-S601 PolarHBondContact O-OG 3.21Å; Y599-S601 VanDerWaalsContact C-N 3.34Å; Y599-S601 PolarHBondContact O-N 3.5Å
602	S	78.4	Confident	83.5	Confident	17 Å²	17	20 Å²	20	12%	0.119	10%	0.098	C	C	.	.	H	α-helix	trans	-89.1	-49.3	-176.4	55.8	0	0	0	0	113.8	L598 Y599 A696	L598-S602 VanDerWaalsContact O-CB 3.31Å; L598-S602 WeakPolarHBondContact O-CB 3.2Å; L598-S602 PolarHBondContact O-N 2.91Å; L598-S602 VanDerWaalsContact O-N 3.13Å; L598-S602 PolarHBondContact O-OG 3.22Å; Y599-S602 PolarHBondContact O-N 2.84Å; Y599-S602 PolarHBondContact O-OG 3.45Å; S602-A696 WeakPolarHBondContact OG-CA 3.4Å; S602-A696 WeakPolarHBondContact OG-CB 3.08Å
603	H	75.4	Confident	83.5	Confident	48 Å²	48	21.7 Å²	21.7	22%	0.222	11%	0.107	C	C	.	.	S	Bend	trans	-79.8	150.8	-175.8	-73	-91.5	0	0	0	112.5	S464 Y599 R694	S464-H603 VanDerWaalsContact CB-O 3.25Å; S464-H603 WeakPolarHBondContact CB-O 3.32Å; Y599-H603 PolarHBondContact O-N 3.47Å; Y599-H603 VanDerWaalsContact O-N 3.1Å; H603-R694 WeakPolarHBondContact NE2-CB 3.46Å
604	Y	67.2	Low	83.6	Confident	35 Å²	35	20 Å²	20	14%	0.137	10%	0.099	C	C	.	.	S	Bend	trans	-68	-43.2	178.7	-179.9	-107.2	0	0	0	112.5	I434 L436 T461 S464 L864 T865	I434-Y604 PolarHBondContact O-OH 3.3Å; L436-Y604 HydrophobicContact CB-CE2 4.27Å; T461-Y604 VanDerWaalsContact CA-O 3.3Å; T461-Y604 WeakPolarHBondContact CA-O 3.48Å; T461-Y604 HydrophobicContact CG2-CE1 4.33Å; T461-Y604 WeakPolarHBondContact CG2-O 3.46Å; S464-Y604 WeakPolarHBondContact OG-CA 3.26Å; S464-Y604 WeakPolarHBondContact OG-CD2 3.1Å; S464-Y604 PolarHBondContact OG-O 3.25Å; Y604-L864 VanDerWaalsContact CE1-O 3.3Å; Y604-L864 WeakPolarHBondContact CE1-O 3.42Å; Y604-T865 HydrophobicContact CD1-CG2 3.85Å; Y604-T865 HydrophobicContact CE1-CG2 4.47Å
605	K	73.2	Confident	83.8	Confident	90 Å²	90	17.8 Å²	17.8	39%	0.391	9%	0.091	S	C	.	.			trans	-129.7	136.2	179.1	-178.7	164.9	-173.3	168.9	0	109	T461 L864	T461-K605 HydrophobicContact CG2-CB 3.6Å; T461-K605 HydrophobicContact CG2-CD 4.1Å; T461-K605 HydrophobicContact CG2-CG 3.72Å; K605-L864 HydrophobicContact CD-CD1 4.11Å
606	N	78	Confident	83.8	Confident	5 Å²	5	17.7 Å²	17.7	3%	0.027	9%	0.09	C	C	.	.			trans	-133.3	155.5	171.1	-65	-86.6	0	0	0	107.5	E459 Y599 V600 D610 R694	E459-N606 CarbonylContact C-O 3.46Å; E459-N606 VanDerWaalsContact C-O 3.29Å; Y599-N606 PolarHBondContact O-ND2 2.96Å; Y599-N606 PolarHBondContact O-OD1 2.86Å; V600-N606 WeakPolarHBondContact CA-ND2 3.43Å; N606-D610 WeakPolarHBondContact CA-OD2 3.09Å; N606-R694 PolarHBondContact OD1-NH1 2.89Å
607	S	82.1	Confident	83.9	Confident	28 Å²	28	17.2 Å²	17.2	20%	0.196	9%	0.088	C	C	.	.			trans	-128.2	149.9	174.8	85.1	0	0	0	0	110.6	N609 D610	S607-N609 PolarHBondContact O-N 3.04Å; S607-N609 VanDerWaalsContact O-N 3.13Å; S607-N609 PolarHBondContact OG-N 3.33Å; S607-D610 VanDerWaalsContact N-CG 3.31Å; S607-D610 PolarHBondContact N-OD1 3.43Å; S607-D610 PolarHBondContact N-OD2 3.35Å; S607-D610 WeakPolarHBondContact O-CB 3.14Å; S607-D610 PolarHBondContact O-N 3.44Å; S607-D610 PolarHBondContact OG-N 2.97Å; S607-D610 PolarHBondContact OG-OD1 2.91Å
608	P	85.3	Confident	84.2	Confident	5 Å²	5	17.8 Å²	17.8	3%	0.032	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.2	170.1	-29.4	37.6	0	0	0	113.6	P130 Y458 L544 L546 D610 L611	P130-P608 VanDerWaalsContact CB-C 3.49Å; P130-P608 HydrophobicContact CB-CB 3.53Å; P130-P608 VanDerWaalsContact CB-O 3.3Å; P130-P608 WeakPolarHBondContact CB-O 3.48Å; Y458-P608 WeakPolarHBondContact O-CD 3.47Å; L544-P608 HydrophobicContact CD1-CB 4.26Å; L544-P608 HydrophobicContact CD2-CB 4.35Å; L546-P608 HydrophobicContact CD2-CG 4.47Å; P608-D610 PolarHBondContact O-N 2.94Å; P608-L611 VanDerWaalsContact O-CB 3.26Å; P608-L611 WeakPolarHBondContact O-CB 3.28Å; P608-L611 PolarHBondContact O-N 2.98Å
609	N	88.6	Confident	84.4	Confident	34 Å²	34	17.7 Å²	17.7	18%	0.182	9%	0.092	C	C	.	.	H	α-helix	trans	-68.4	-20.7	174.7	-66.5	8.2	0	0	0	111.9	T129 P130 N131 S607 L611 Q612 L613	T129-N609 WeakPolarHBondContact CB-ND2 3.11Å; T129-N609 WeakPolarHBondContact CB-OD1 3.43Å; T129-N609 PolarHBondContact OG1-ND2 3.35Å; T129-N609 VanDerWaalsContact OG1-ND2 3.12Å; T129-N609 PolarHBondContact OG1-OD1 3.42Å; P130-N609 WeakPolarHBondContact CD-OD1 3.32Å; N131-N609 WeakPolarHBondContact CB-OD1 3.48Å; N131-N609 PolarHBondContact N-OD1 2.98Å; S607-N609 PolarHBondContact O-N 3.04Å; S607-N609 VanDerWaalsContact O-N 3.13Å; S607-N609 PolarHBondContact OG-N 3.33Å; N609-L611 PolarHBondContact O-N 3.1Å; N609-Q612 PolarHBondContact O-N 3.43Å; N609-Q612 VanDerWaalsContact O-N 3.15Å; N609-L613 PolarHBondContact O-N 3.19Å
610	D	88.2	Confident	84.7	Confident	22 Å²	22	18.1 Å²	18.1	12%	0.118	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-30.4	173.7	-51.9	-10.3	0	0	0	111.2	N606 S607 P608 L614 R694	N606-D610 WeakPolarHBondContact CA-OD2 3.09Å; S607-D610 VanDerWaalsContact N-CG 3.31Å; S607-D610 PolarHBondContact N-OD1 3.43Å; S607-D610 PolarHBondContact N-OD2 3.35Å; S607-D610 WeakPolarHBondContact O-CB 3.14Å; S607-D610 PolarHBondContact O-N 3.44Å; S607-D610 PolarHBondContact OG-N 2.97Å; S607-D610 PolarHBondContact OG-OD1 2.91Å; P608-D610 PolarHBondContact O-N 2.94Å; D610-L614 WeakPolarHBondContact O-CB 3.1Å; D610-L614 PolarHBondContact O-N 2.82Å; D610-R694 IonicContact OD1-NH2 2.68Å; D610-R694 PolarHBondContact OD1-NH2 3.29Å; D610-R694 IonicContact OD2-CZ 3.04Å; D610-R694 IonicContact OD2-NH1 2.79Å; D610-R694 PolarHBondContact OD2-NH1 3.41Å; D610-R694 IonicContact OD2-NH2 3.07Å; D610-R694 PolarHBondContact OD2-NH2 3.12Å
611	L	90	Very high	85.2	Confident	5 Å²	5	18 Å²	18	3%	0.026	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-40.7	176.7	-171.2	60.3	0	0	0	111.6	F182 F582 L592 P608 N609 L614 S615	F182-L611 HydrophobicContact CE2-CD2 4.25Å; F582-L611 HydrophobicContact CE1-CD1 3.87Å; F582-L611 HydrophobicContact CE1-CG 4.37Å; F582-L611 HydrophobicContact CZ-CD1 4.16Å; L592-L611 HydrophobicContact CD1-CD1 3.94Å; L592-L611 HydrophobicContact CD2-CD1 4.38Å; L592-L611 HydrophobicContact CG-CD1 4.44Å; P608-L611 VanDerWaalsContact O-CB 3.26Å; P608-L611 WeakPolarHBondContact O-CB 3.28Å; P608-L611 PolarHBondContact O-N 2.98Å; N609-L611 PolarHBondContact O-N 3.1Å; L611-L614 PolarHBondContact O-N 2.71Å; L611-S615 WeakPolarHBondContact O-CB 3.24Å; L611-S615 PolarHBondContact O-N 3.03Å; L611-S615 PolarHBondContact O-OG 3.43Å
612	Q	90.5	Very high	86	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-72.9	-34.4	175.4	-169.9	-179.4	22.5	0	0	112.1	P130 Y170 F182 N609 L614 S615 D616	P130-Q612 HydrophobicContact CG-CB 4Å; Y170-Q612 HydrophobicContact CE2-CG 4.42Å; F182-Q612 HydrophobicContact CB-CG 4.06Å; F182-Q612 HydrophobicContact CD2-CB 4.44Å; F182-Q612 HydrophobicContact CG-CB 4.36Å; F182-Q612 HydrophobicContact CG-CG 4.2Å; N609-Q612 PolarHBondContact O-N 3.43Å; N609-Q612 VanDerWaalsContact O-N 3.15Å; Q612-L614 VanDerWaalsContact C-N 3.35Å; Q612-S615 WeakPolarHBondContact CA-OG 3.48Å; Q612-S615 PolarHBondContact O-N 2.69Å; Q612-S615 PolarHBondContact O-OG 2.88Å; Q612-S615 VanDerWaalsContact O-OG 3.08Å; Q612-D616 WeakPolarHBondContact CG-OD2 3.47Å; Q612-D616 WeakPolarHBondContact O-CB 3.16Å; Q612-D616 PolarHBondContact O-N 3.38Å
613	L	90.4	Very high	86.8	Confident	36 Å²	36	17 Å²	17	19%	0.188	9%	0.085	C	C	.	.	H	α-helix	trans	-61.1	-45.3	170	178.5	71.5	0	0	0	110.8	Y170 N609 S615 A617	Y170-L613 HydrophobicContact CD1-CD1 3.74Å; Y170-L613 HydrophobicContact CE1-CB 4.37Å; Y170-L613 HydrophobicContact CE1-CD1 3.41Å; Y170-L613 VanDerWaalsContact CE1-CD1 3.41Å; Y170-L613 HydrophobicContact CE1-CG 4.49Å; Y170-L613 HydrophobicContact CG-CD1 4.44Å; Y170-L613 PolarHBondContact OH-N 2.98Å; N609-L613 PolarHBondContact O-N 3.19Å; L613-S615 VanDerWaalsContact C-N 3.32Å; L613-S615 PolarHBondContact O-N 3.25Å; L613-A617 HydrophobicContact CD1-CB 3.88Å; L613-A617 VanDerWaalsContact O-CB 3.24Å; L613-A617 WeakPolarHBondContact O-CB 3.35Å; L613-A617 PolarHBondContact O-N 2.93Å
614	L	91.1	Very high	87.7	Confident	5 Å²	5	14.7 Å²	14.7	3%	0.026	8%	0.075	C	C	.	.	H	α-helix	trans	-72.4	-22.4	-178	-173.9	144.2	0	0	0	113.3	L581 F582 L595 Y599 D610 L611 Q612 I622	L581-L614 HydrophobicContact CD2-CD2 4.09Å; F582-L614 HydrophobicContact CE2-CD2 3.81Å; F582-L614 HydrophobicContact CZ-CD2 3.57Å; L595-L614 HydrophobicContact CD2-CD1 4.33Å; Y599-L614 HydrophobicContact CE2-CD1 3.63Å; D610-L614 WeakPolarHBondContact O-CB 3.1Å; D610-L614 PolarHBondContact O-N 2.82Å; L611-L614 PolarHBondContact O-N 2.71Å; Q612-L614 VanDerWaalsContact C-N 3.35Å; L614-I622 HydrophobicContact CD1-CD1 4.2Å; L614-I622 HydrophobicContact CD1-CG1 4.33Å; L614-I622 HydrophobicContact CD2-CD1 3.51Å; L614-I622 HydrophobicContact CD2-CG1 4.46Å; L614-I622 HydrophobicContact CG-CD1 3.74Å; L614-I622 HydrophobicContact CG-CG1 4.18Å
615	S	89.9	Confident	88.9	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-87.8	-48.7	174.6	67.7	0	0	0	0	113.6	R181 F582 L611 Q612 L613	R181-S615 WeakPolarHBondContact CD-O 3.38Å; R181-S615 PolarHBondContact NH1-O 2.9Å; F582-S615 VanDerWaalsContact CZ-CB 3.47Å; L611-S615 WeakPolarHBondContact O-CB 3.24Å; L611-S615 PolarHBondContact O-N 3.03Å; L611-S615 PolarHBondContact O-OG 3.43Å; Q612-S615 WeakPolarHBondContact CA-OG 3.48Å; Q612-S615 PolarHBondContact O-N 2.69Å; Q612-S615 PolarHBondContact O-OG 2.88Å; Q612-S615 VanDerWaalsContact O-OG 3.08Å; L613-S615 VanDerWaalsContact C-N 3.32Å; L613-S615 PolarHBondContact O-N 3.25Å
616	D	89.9	Confident	89.8	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-98.2	-34.8	-162	-61	-1.1	0	0	0	112.4	H167 Y170 V178 R181 F182 Q612 P618	H167-D616 IonicContact CD2-OD2 2.76Å; H167-D616 IonicContact CE1-OD2 2.74Å; H167-D616 IonicContact NE2-OD2 3.17Å; H167-D616 PolarHBondContact NE2-OD2 2.9Å; Y170-D616 HydrophobicContact CD2-CB 4.25Å; Y170-D616 HydrophobicContact CE2-CB 4.39Å; V178-D616 HydrophobicContact CG1-CB 4.07Å; R181-D616 PolarHBondContact N-OD1 2.97Å; F182-D616 PolarHBondContact N-OD1 3.01Å; Q612-D616 WeakPolarHBondContact CG-OD2 3.47Å; Q612-D616 WeakPolarHBondContact O-CB 3.16Å; Q612-D616 PolarHBondContact O-N 3.38Å; D616-P618 WeakPolarHBondContact O-CD 3.42Å
617	A	89.7	Confident	90.1	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.008	6%	0.056	C	C	.	.			trans	-72.5	113.7	-171.2	0	0	0	0	0	112.4	Y170 R578 L613 A619 H620	Y170-A617 HydrophobicContact CD1-CB 4.33Å; Y170-A617 HydrophobicContact CD2-CB 3.9Å; Y170-A617 HydrophobicContact CG-CB 3.76Å; R578-A617 PolarHBondContact NH1-O 2.87Å; L613-A617 HydrophobicContact CD1-CB 3.88Å; L613-A617 VanDerWaalsContact O-CB 3.24Å; L613-A617 WeakPolarHBondContact O-CB 3.35Å; L613-A617 PolarHBondContact O-N 2.93Å; A617-A619 VanDerWaalsContact C-N 3.35Å; A617-A619 PolarHBondContact O-N 2.92Å; A617-H620 PolarHBondContact O-N 3Å; A617-H620 VanDerWaalsContact O-N 3.16Å
618	P	89	Confident	90.1	Very high	12 Å²	12	11.7 Å²	11.7	8%	0.078	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-38.6	-164.2	22.9	-34.4	0	0	0	113.4	Q175 V178 R578 D616 H620	Q175-P618 HydrophobicContact CB-CB 4.18Å; Q175-P618 HydrophobicContact CB-CG 3.88Å; Q175-P618 PolarHBondContact OE1-O 3.42Å; V178-P618 HydrophobicContact CG2-CG 4.44Å; R578-P618 VanDerWaalsContact CZ-O 3.32Å; R578-P618 PolarHBondContact NH1-O 3.08Å; R578-P618 PolarHBondContact NH2-O 3.35Å; D616-P618 WeakPolarHBondContact O-CD 3.42Å; P618-H620 PolarHBondContact O-N 3.08Å
619	A	90.1	Very high	89.7	Confident	3 Å²	3	15.2 Å²	15.2	3%	0.025	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.1	-177.7	0	0	0	0	0	115.2	T172 Q175 A617 S646 L647	T172-A619 HydrophobicContact CG2-CB 4.35Å; Q175-A619 VanDerWaalsContact OE1-CA 3.22Å; A617-A619 VanDerWaalsContact C-N 3.35Å; A617-A619 PolarHBondContact O-N 2.92Å; A619-S646 WeakPolarHBondContact O-CA 3.45Å; A619-L647 HydrophobicContact CB-CB 4.28Å; A619-L647 PolarHBondContact O-N 3.24Å
620	H	91.9	Very high	89	Confident	14 Å²	14	19.4 Å²	19.4	7%	0.065	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.2	-177.2	-76.2	-103.4	0	0	0	113.2	R578 A617 P618 Q644 V645	R578-H620 PolarHBondContact NH1-O 3.11Å; A617-H620 PolarHBondContact O-N 3Å; A617-H620 VanDerWaalsContact O-N 3.16Å; P618-H620 PolarHBondContact O-N 3.08Å; H620-Q644 PolarHBondContact ND1-NE2 3.37Å; H620-V645 CarbonylContact C-O 3.51Å; H620-V645 VanDerWaalsContact CA-O 3.27Å; H620-V645 WeakPolarHBondContact CA-O 3.2Å
621	H	92.2	Very high	88.2	Confident	13 Å²	13	23.1 Å²	23.1	6%	0.06	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	153	172	-68.3	-52.2	0	0	0	112.1	Y575 F623 V645 R825	Y575-H621 HydrophobicContact CE2-CB 3.89Å; Y575-H621 AromaticContact CE2-CG 4Å; Y575-H621 AromaticContact CE2-ND1 3.59Å; Y575-H621 AromaticContact CZ-ND1 3.66Å; Y575-H621 PolarHBondContact OH-ND1 2.94Å; H621-F623 HydrophobicContact CB-CE2 3.9Å; H621-F623 HydrophobicContact CB-CZ 4.35Å; H621-V645 HydrophobicContact CB-CB 4.42Å; H621-V645 PolarHBondContact N-O 3.13Å; H621-V645 PolarHBondContact O-N 2.63Å; H621-R825 PolarHBondContact CE1-NH2 3.1Å; H621-R825 PolarHBondContact ND1-NH1 3.02Å; H621-R825 PolarHBondContact NE2-NH2 3.36Å
622	I	94.6	Very high	87.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.8	-177.1	-53.2	161.9	0	0	0	107.9	Y575 V576 R578 L581 L595 L614 V642	Y575-I622 WeakPolarHBondContact CD2-O 3.4Å; V576-I622 HydrophobicContact CB-CB 4.13Å; V576-I622 HydrophobicContact CB-CG2 4.05Å; V576-I622 HydrophobicContact CG2-CG2 4Å; V576-I622 PolarHBondContact N-O 3.42Å; R578-I622 HydrophobicContact CG-CD1 4.09Å; L581-I622 HydrophobicContact CD2-CD1 3.89Å; L595-I622 HydrophobicContact CD1-CG2 4.03Å; L614-I622 HydrophobicContact CD1-CD1 4.2Å; L614-I622 HydrophobicContact CD1-CG1 4.33Å; L614-I622 HydrophobicContact CD2-CD1 3.51Å; L614-I622 HydrophobicContact CD2-CG1 4.46Å; L614-I622 HydrophobicContact CG-CD1 3.74Å; L614-I622 HydrophobicContact CG-CG1 4.18Å; I622-V642 HydrophobicContact CG2-CG1 4.06Å
623	F	95.1	Very high	86.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.1	172.6	-55	-94.4	0	0	0	110.2	L573 Y574 Y575 H621 V642 L643 V645 L714 Y717 L822	L573-F623 HydrophobicContact CD1-CB 3.77Å; L573-F623 HydrophobicContact CD2-CB 4.29Å; L573-F623 HydrophobicContact CG-CB 4.04Å; Y574-F623 CarbonylContact O-C 3.5Å; Y574-F623 WeakPolarHBondContact O-CA 3.37Å; Y575-F623 AromaticContact CD2-CD1 4Å; Y575-F623 HydrophobicContact CD2-CD1 4Å; Y575-F623 AromaticContact CD2-CE1 3.77Å; Y575-F623 HydrophobicContact CD2-CE1 3.77Å; Y575-F623 HydrophobicContact CD2-CZ 4.13Å; Y575-F623 HydrophobicContact CG-CD1 4.49Å; Y575-F623 HydrophobicContact CG-CE1 4.27Å; H621-F623 HydrophobicContact CB-CE2 3.9Å; H621-F623 HydrophobicContact CB-CZ 4.35Å; F623-V642 WeakPolarHBondContact O-CA 3.45Å; F623-L643 HydrophobicContact CB-CB 4.35Å; F623-L643 PolarHBondContact N-O 3.03Å; F623-L643 PolarHBondContact O-N 2.94Å; F623-V645 HydrophobicContact CD2-CB 4.42Å; F623-V645 HydrophobicContact CD2-CG2 3.88Å; F623-V645 HydrophobicContact CE2-CB 4.08Å; F623-V645 HydrophobicContact CE2-CG2 3.89Å; F623-L714 HydrophobicContact CD1-CD1 4.45Å; F623-L714 HydrophobicContact CD2-CD1 3.68Å; F623-L714 HydrophobicContact CE1-CD1 4.44Å; F623-L714 HydrophobicContact CE2-CD1 3.67Å; F623-L714 HydrophobicContact CG-CD1 4.08Å; F623-L714 HydrophobicContact CZ-CD1 4.06Å; F623-Y717 HydrophobicContact CE1-CE1 4.3Å; F623-Y717 HydrophobicContact CZ-CE1 4.34Å; F623-L822 HydrophobicContact CD1-CD2 3.82Å; F623-L822 HydrophobicContact CE1-CD2 3.75Å
624	C	94.4	Very high	85.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.4	-179.5	-73.3	0	0	0	0	110.6	Y574 V576 F591 L626 V639 C641	Y574-C624 PolarHBondContact N-O 3.07Å; Y574-C624 PolarHBondContact O-N 3.43Å; V576-C624 HydrophobicContact CG2-CB 4.06Å; V576-C624 VanDerWaalsContact CG2-SG 3.57Å; F591-C624 HydrophobicContact CZ-CB 4.42Å; C624-L626 HydrophobicContact CB-CD2 4.07Å; C624-V639 HydrophobicContact CB-CG1 4.19Å; C624-C641 CarbonylContact C-O 3.37Å; C624-C641 WeakPolarHBondContact CA-O 3.49Å
625	L	93.4	Very high	84.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.9	167.7	-168	82.3	0	0	0	107.9	C571 Q572 L573 L640 C641 Y706 R709 A710 L713	C571-L625 HydrophobicContact CB-CD1 4.01Å; C571-L625 HydrophobicContact CB-CD2 3.96Å; C571-L625 HydrophobicContact CB-CG 3.92Å; Q572-L625 WeakPolarHBondContact O-CA 3.5Å; L573-L625 HydrophobicContact CB-CD1 4.27Å; L573-L625 HydrophobicContact CD1-CB 4.29Å; L625-L640 HydrophobicContact CD2-CB 4.48Å; L625-L640 PolarHBondContact O-N 3.32Å; L625-C641 HydrophobicContact CB-CB 3.77Å; L625-C641 HydrophobicContact CD2-CB 4.22Å; L625-C641 PolarHBondContact N-O 3.42Å; L625-C641 PolarHBondContact O-N 2.87Å; L625-Y706 HydrophobicContact CD2-CD1 4.08Å; L625-Y706 HydrophobicContact CD2-CG 4.44Å; L625-R709 HydrophobicContact CD1-CG 4.44Å; L625-A710 HydrophobicContact CB-CB 4.27Å; L625-A710 HydrophobicContact CD1-CB 4.31Å; L625-A710 HydrophobicContact CD2-CB 4.42Å; L625-L713 HydrophobicContact CD1-CD1 4Å
626	L	90.9	Very high	83.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	152.6	-179.6	-55.6	-177	0	0	0	110.6	Q572 Y574 C624 Y629 P637 V639 L819	Q572-L626 PolarHBondContact N-O 3.01Å; Q572-L626 PolarHBondContact O-N 3.04Å; Y574-L626 HydrophobicContact CD2-CB 4.11Å; Y574-L626 HydrophobicContact CD2-CD1 3.62Å; Y574-L626 HydrophobicContact CD2-CG 3.79Å; Y574-L626 HydrophobicContact CE2-CB 4.04Å; Y574-L626 HydrophobicContact CE2-CD1 3.9Å; Y574-L626 HydrophobicContact CE2-CG 4.18Å; Y574-L626 HydrophobicContact CG-CD1 4.23Å; C624-L626 HydrophobicContact CB-CD2 4.07Å; L626-Y629 HydrophobicContact CD1-CD1 4.26Å; L626-Y629 HydrophobicContact CD1-CE1 3.92Å; L626-P637 HydrophobicContact CD1-CB 4.21Å; L626-P637 HydrophobicContact CD1-CG 3.94Å; L626-V639 HydrophobicContact CD2-CB 4.29Å; L626-V639 HydrophobicContact CD2-CG1 4.42Å; L626-V639 HydrophobicContact CD2-CG2 3.86Å; L626-L819 HydrophobicContact CD1-CD1 3.61Å; L626-L819 HydrophobicContact CD1-CD2 4.35Å
627	A	85.5	Confident	83.5	Confident	21 Å²	21	44.1 Å²	44.1	17%	0.174	27%	0.265	C	S	.	.			trans	-61.2	152.7	159.7	0	0	0	0	0	110	P566 Y629 L640	P566-A627 HydrophobicContact CG-CB 3.91Å; A627-Y629 PolarHBondContact O-N 3.41Å; A627-L640 HydrophobicContact CB-CD1 4.2Å
628	P	82	Confident	83.1	Confident	73 Å²	73	47.7 Å²	47.7	47%	0.474	28%	0.282	S	S	.	.			trans	-57.7	122.3	168.6	25.5	-33.7	0	0	0	109.5	P566 Q570	P566-P628 HydrophobicContact CB-CG 4.19Å; Q570-P628 HydrophobicContact CB-CG 4.43Å
629	Y	75.6	Confident	83	Confident	79 Å²	79	47.5 Å²	47.5	31%	0.31	28%	0.28	S	S	.	.			trans	-129.6	142.4	-173.4	75.9	-87.3	0	0	0	111.7	Y574 L626 A627 P631 P637	Y574-Y629 HydrophobicContact CE1-CE1 4.42Å; Y574-Y629 HydrophobicContact CE2-CE1 4.14Å; Y574-Y629 AromaticContact CZ-CE1 3.83Å; L626-Y629 HydrophobicContact CD1-CD1 4.26Å; L626-Y629 HydrophobicContact CD1-CE1 3.92Å; A627-Y629 PolarHBondContact O-N 3.41Å; Y629-P631 HydrophobicContact CE2-CB 4.15Å; Y629-P631 WeakPolarHBondContact O-CD 3.38Å; Y629-P637 HydrophobicContact CD1-CB 4.29Å; Y629-P637 HydrophobicContact CG-CB 4.17Å
630	D	74.8	Confident	83	Confident	122 Å²	122	47.4 Å²	47.4	65%	0.652	28%	0.279	S	S	*	.			trans	-83.2	116.7	171.1	-92.3	-46.2	0	0	0	110.3	K632 S633	D630-K632 PolarHBondContact O-N 2.83Å; D630-K632 VanDerWaalsContact O-N 3.14Å; D630-S633 WeakPolarHBondContact O-CB 3.03Å; D630-S633 PolarHBondContact O-N 2.78Å; D630-S633 VanDerWaalsContact O-N 3.1Å; D630-S633 PolarHBondContact O-OG 3.42Å
631	P	70.9	Confident	83	Confident	100 Å²	100	46.8 Å²	46.8	65%	0.649	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-65.4	-19.1	179.2	26.9	-34.9	0	0	0	112.8	Y629 S633	Y629-P631 HydrophobicContact CE2-CB 4.15Å; Y629-P631 WeakPolarHBondContact O-CD 3.38Å; P631-S633 PolarHBondContact O-N 2.88Å
632	K	71.8	Confident	83.1	Confident	200 Å²	200	46.2 Å²	46.2	87%	0.87	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.8	175.8	-64	178	-179.1	174.2	0	113.7	D630 G634	D630-K632 PolarHBondContact O-N 2.83Å; D630-K632 VanDerWaalsContact O-N 3.14Å; K632-G634 VanDerWaalsContact C-N 3.28Å; K632-G634 PolarHBondContact O-N 3.38Å
633	S	70.8	Confident	83.1	Confident	65 Å²	65	46.1 Å²	46.1	46%	0.455	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-71.5	-17.8	-176.4	64.4	0	0	0	0	114.3	D630 P631 C635	D630-S633 WeakPolarHBondContact O-CB 3.03Å; D630-S633 PolarHBondContact O-N 2.78Å; D630-S633 VanDerWaalsContact O-N 3.1Å; D630-S633 PolarHBondContact O-OG 3.42Å; P631-S633 PolarHBondContact O-N 2.88Å; S633-C635 PolarHBondContact O-N 3.08Å; S633-C635 PolarHBondContact O-SG 3.49Å; S633-C635 VanDerWaalsContact O-SG 3.4Å; S633-C635 PolarHBondContact OG-N 2.86Å
634	G	69.9	Low	83.1	Confident	75 Å²	75	46.3 Å²	46.3	77%	0.773	27%	0.274	S	S	*	.			trans	64.5	-0.4	-173.8	0	0	0	0	0	114.9	K632	K632-G634 VanDerWaalsContact C-N 3.28Å; K632-G634 PolarHBondContact O-N 3.38Å
635	C	71.2	Confident	83	Confident	90 Å²	90	46.3 Å²	46.3	61%	0.608	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-84.4	143.5	-177.3	-66.5	0	0	0	0	110.8	S633	S633-C635 PolarHBondContact O-N 3.08Å; S633-C635 PolarHBondContact O-SG 3.49Å; S633-C635 VanDerWaalsContact O-SG 3.4Å; S633-C635 PolarHBondContact OG-N 2.86Å
636	V	77.2	Confident	83	Confident	37 Å²	37	46.3 Å²	46.3	22%	0.224	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.3	125	171.3	-178.1	0	0	0	0	107.9	I590 F591 R594	I590-V636 HydrophobicContact CG2-CB 4.45Å; I590-V636 HydrophobicContact CG2-CG1 4.45Å; I590-V636 HydrophobicContact CG2-CG2 4.2Å; F591-V636 HydrophobicContact CB-CG1 4.06Å; F591-V636 HydrophobicContact CD2-CG1 3.94Å; R594-V636 PolarHBondContact NH1-O 2.88Å
637	P	82.7	Confident	83.1	Confident	21 Å²	21	47.1 Å²	47.1	14%	0.136	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.3	154.1	-176.8	25.3	-34	0	0	0	112.2	R594 L626 Y629 L819	R594-P637 PolarHBondContact NH1-O 2.88Å; L626-P637 HydrophobicContact CD1-CB 4.21Å; L626-P637 HydrophobicContact CD1-CG 3.94Å; Y629-P637 HydrophobicContact CD1-CB 4.29Å; Y629-P637 HydrophobicContact CG-CB 4.17Å; P637-L819 HydrophobicContact CG-CD1 4.26Å
638	E	80.5	Confident	83.3	Confident	76 Å²	76	46.3 Å²	46.3	36%	0.355	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-75.4	136	169.4	-168.6	-177.6	152.6	0	0	110	L640 Y701	E638-L640 HydrophobicContact CG-CD2 4.42Å; E638-Y701 WeakPolarHBondContact OE1-CE2 3.44Å; E638-Y701 PolarHBondContact OE1-OH 2.95Å
639	V	87.9	Confident	83.4	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.2	-178.5	-175.8	0	0	0	0	108.4	F591 L598 C624 L626 V642	F591-V639 HydrophobicContact CD2-CG2 4.16Å; F591-V639 HydrophobicContact CE2-CG2 3.57Å; F591-V639 HydrophobicContact CZ-CG2 4.09Å; L598-V639 HydrophobicContact CD1-CB 3.77Å; L598-V639 HydrophobicContact CD1-CG1 3.64Å; L598-V639 VanDerWaalsContact CD1-O 3.32Å; L598-V639 WeakPolarHBondContact CD1-O 3.26Å; C624-V639 HydrophobicContact CB-CG1 4.19Å; L626-V639 HydrophobicContact CD2-CB 4.29Å; L626-V639 HydrophobicContact CD2-CG1 4.42Å; L626-V639 HydrophobicContact CD2-CG2 3.86Å; V639-V642 HydrophobicContact CG1-CG2 3.5Å
640	L	88.9	Confident	83.9	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-36.8	-174.6	-57.7	178.7	0	0	0	112.1	P566 L625 A627 E638 Y701 Y706	P566-L640 HydrophobicContact CG-CD1 3.95Å; L625-L640 HydrophobicContact CD2-CB 4.48Å; L625-L640 PolarHBondContact O-N 3.32Å; A627-L640 HydrophobicContact CB-CD1 4.2Å; E638-L640 HydrophobicContact CG-CD2 4.42Å; L640-Y701 HydrophobicContact CD2-CD2 4.3Å; L640-Y701 HydrophobicContact CD2-CE2 3.79Å; L640-Y706 HydrophobicContact CD1-CD1 4.17Å; L640-Y706 HydrophobicContact CD1-CE1 4Å
641	C	92.2	Very high	84.4	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142	176.6	-172.3	0	0	0	0	110.4	C624 L625 A696 T697 A710	C624-C641 CarbonylContact C-O 3.37Å; C624-C641 WeakPolarHBondContact CA-O 3.49Å; L625-C641 HydrophobicContact CB-CB 3.77Å; L625-C641 HydrophobicContact CD2-CB 4.22Å; L625-C641 PolarHBondContact N-O 3.42Å; L625-C641 PolarHBondContact O-N 2.87Å; C641-A696 CarbonylContact C-O 3.59Å; C641-A696 VanDerWaalsContact CA-O 3.25Å; C641-A696 WeakPolarHBondContact CA-O 3.48Å; C641-T697 HydrophobicContact CB-CG2 3.76Å; C641-T697 WeakPolarHBondContact SG-CG2 3.31Å; C641-A710 HydrophobicContact CB-CB 4.36Å
642	V	94.1	Very high	85.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.8	169.2	-170.3	0	0	0	0	109.2	L595 L598 Y599 I622 F623 V639 I695 A696	L595-V642 HydrophobicContact CD1-CG1 4.2Å; L595-V642 HydrophobicContact CG-CG1 4.27Å; L595-V642 HydrophobicContact CG-CG2 4.26Å; L598-V642 HydrophobicContact CD1-CG2 3.91Å; Y599-V642 HydrophobicContact CE1-CB 4.47Å; Y599-V642 HydrophobicContact CE1-CG1 4.28Å; Y599-V642 VanDerWaalsContact OH-CG1 3.3Å; Y599-V642 WeakPolarHBondContact OH-CG1 3.18Å; I622-V642 HydrophobicContact CG2-CG1 4.06Å; F623-V642 WeakPolarHBondContact O-CA 3.45Å; V639-V642 HydrophobicContact CG1-CG2 3.5Å; V642-I695 WeakPolarHBondContact O-CA 3.37Å; V642-A696 HydrophobicContact CB-CB 4.34Å; V642-A696 PolarHBondContact N-O 2.9Å; V642-A696 PolarHBondContact O-N 2.82Å
643	L	94.8	Very high	85.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.6	171.1	-54.9	179	0	0	0	108.7	L573 F623 I695 A710 L714	L573-L643 HydrophobicContact CD1-CD1 4.32Å; L573-L643 HydrophobicContact CD2-CD1 4.35Å; F623-L643 HydrophobicContact CB-CB 4.35Å; F623-L643 PolarHBondContact N-O 3.03Å; F623-L643 PolarHBondContact O-N 2.94Å; L643-I695 HydrophobicContact CD2-CB 4.25Å; L643-I695 HydrophobicContact CD2-CD1 3.95Å; L643-I695 HydrophobicContact CD2-CG1 3.71Å; L643-I695 HydrophobicContact CD2-CG2 3.95Å; L643-A710 HydrophobicContact CD1-CB 3.9Å; L643-A710 HydrophobicContact CD2-CB 4.26Å; L643-A710 HydrophobicContact CG-CB 4.19Å; L643-L714 HydrophobicContact CD1-CB 4.13Å; L643-L714 HydrophobicContact CD1-CD1 4.38Å; L643-L714 HydrophobicContact CD1-CD2 4.22Å; L643-L714 HydrophobicContact CD1-CG 4.48Å
644	Q	94.7	Very high	86.6	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.7	166.1	-162.5	-174.9	15.7	0	0	108.6	H620 V693 R694	H620-Q644 PolarHBondContact ND1-NE2 3.37Å; Q644-V693 HydrophobicContact CB-CB 4.35Å; Q644-V693 HydrophobicContact CG-CB 4.39Å; Q644-V693 PolarHBondContact O-N 2.9Å; Q644-R694 HydrophobicContact CB-CB 3.83Å; Q644-R694 HydrophobicContact CB-CG 4.44Å; Q644-R694 PolarHBondContact N-O 3Å; Q644-R694 PolarHBondContact O-N 2.96Å
645	V	94.2	Very high	87.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.4	-174.4	174.4	0	0	0	0	108.8	H620 H621 F623 V690 L714	H620-V645 CarbonylContact C-O 3.51Å; H620-V645 VanDerWaalsContact CA-O 3.27Å; H620-V645 WeakPolarHBondContact CA-O 3.2Å; H621-V645 HydrophobicContact CB-CB 4.42Å; H621-V645 PolarHBondContact N-O 3.13Å; H621-V645 PolarHBondContact O-N 2.63Å; F623-V645 HydrophobicContact CD2-CB 4.42Å; F623-V645 HydrophobicContact CD2-CG2 3.88Å; F623-V645 HydrophobicContact CE2-CB 4.08Å; F623-V645 HydrophobicContact CE2-CG2 3.89Å; V645-V690 HydrophobicContact CG1-CB 4.36Å; V645-V690 HydrophobicContact CG1-CG1 3.58Å; V645-V690 HydrophobicContact CG1-CG2 3.84Å; V645-L714 HydrophobicContact CG2-CD1 4.23Å; V645-L714 HydrophobicContact CG2-CD2 3.99Å
646	S	92.7	Very high	87.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.3	173.3	178.4	0	0	0	0	108	A619 V690 R691	A619-S646 WeakPolarHBondContact O-CA 3.45Å; S646-V690 CarbonylContact O-C 3.48Å; S646-V690 WeakPolarHBondContact O-CA 3.48Å; S646-R691 PolarHBondContact N-O 2.73Å; S646-R691 PolarHBondContact O-N 3.13Å; S646-R691 PolarHBondContact OG-NH2 3.11Å
647	L	91.8	Very high	88.3	Confident	17 Å²	17	36.3 Å²	36.3	9%	0.089	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	144.5	159.9	-52.8	175.7	0	0	0	108.2	A619 V690 E828 L830	A619-L647 HydrophobicContact CB-CB 4.28Å; A619-L647 PolarHBondContact O-N 3.24Å; L647-V690 HydrophobicContact CD2-CG2 3.57Å; L647-E828 HydrophobicContact CD1-CG 4.18Å; L647-E828 HydrophobicContact CD2-CB 4.38Å; L647-E828 HydrophobicContact CD2-CG 4Å; L647-L830 HydrophobicContact CD2-CD2 4.38Å
648	E	90.1	Very high	88.5	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.8	173.9	-63.6	-164.8	141.9	0	0	110.4	D669 L670 I671 P672 G689 R691	E648-D669 WeakPolarHBondContact CA-OD1 3.33Å; E648-D669 HydrophobicContact CB-CB 4.5Å; E648-D669 WeakPolarHBondContact OE1-CA 3.46Å; E648-L670 PolarHBondContact OE1-N 3.41Å; E648-I671 VanDerWaalsContact OE2-CB 3.25Å; E648-I671 WeakPolarHBondContact OE2-CB 3.35Å; E648-I671 WeakPolarHBondContact OE2-CG1 3.4Å; E648-I671 PolarHBondContact OE2-N 3.07Å; E648-P672 HydrophobicContact CB-CG 4.06Å; E648-P672 WeakPolarHBondContact OE2-CD 3.27Å; E648-G689 PolarHBondContact N-O 3.13Å; E648-G689 PolarHBondContact O-N 3.31Å; E648-R691 HydrophobicContact CG-CB 4.06Å; E648-R691 WeakPolarHBondContact OE1-CD 3.14Å; E648-R691 IonicContact OE1-CZ 3.53Å; E648-R691 IonicContact OE1-NE 3.44Å; E648-R691 PolarHBondContact OE1-NE 2.72Å; E648-R691 IonicContact OE1-NH1 3.62Å; E648-R691 PolarHBondContact OE1-NH1 3.34Å; E648-R691 IonicContact OE1-NH2 2.7Å; E648-R691 PolarHBondContact OE1-NH2 3.25Å; E648-R691 VanDerWaalsContact OE1-NH2 3.09Å
649	G	85.2	Confident	88.6	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.4	-161	172.5	0	0	0	0	0	115.2	S174 D669 L687	S174-G649 PolarHBondContact OG-O 2.87Å; G649-D669 PolarHBondContact N-OD1 3Å; G649-L687 WeakPolarHBondContact CA-O 3.43Å
650	K	86.2	Confident	88.4	Confident	127 Å²	127	39.3 Å²	39.3	55%	0.552	19%	0.186	S	C	*	.			trans	59.3	46.5	-161.6	-54.1	-171.9	-174.4	-176.9	0	113.1	G685 E686 L687 S688	K650-G685 PolarHBondContact N-O 3.01Å; K650-E686 WeakPolarHBondContact CA-O 3.45Å; K650-L687 PolarHBondContact N-O 3.06Å; K650-S688 VanDerWaalsContact CE-CB 3.44Å; K650-S688 WeakPolarHBondContact CE-OG 3.48Å
651	I	85.2	Confident	88.2	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.218	C	C	.	.			trans	-91.8	137.6	178.1	-51.4	175.4	0	0	0	108.5	R655 V656 D669 P672 W673 G685	I651-R655 HydrophobicContact CG2-CB 4.5Å; I651-V656 HydrophobicContact CB-CG2 4.01Å; I651-V656 HydrophobicContact CG2-CG2 3.58Å; I651-D669 HydrophobicContact CD1-CB 4.12Å; I651-P672 HydrophobicContact CD1-CB 3.91Å; I651-W673 HydrophobicContact CD1-CZ2 4.04Å; I651-W673 HydrophobicContact CG2-CH2 4.48Å; I651-W673 HydrophobicContact CG2-CZ2 4.05Å; I651-G685 WeakPolarHBondContact CB-O 3.47Å; I651-G685 PolarHBondContact N-O 2.89Å
652	N	86.9	Confident	87.8	Confident	82 Å²	82	51.7 Å²	51.7	44%	0.439	25%	0.247	S	C	.	.			trans	-66.6	135.5	175.9	-175.5	21.4	0	0	0	111.1	D654 R655 V656	N652-D654 VanDerWaalsContact C-N 3.26Å; N652-D654 PolarHBondContact ND2-OD2 3.33Å; N652-D654 PolarHBondContact O-N 3.21Å; N652-D654 PolarHBondContact OD1-OD2 3.24Å; N652-R655 HydrophobicContact CB-CG 4.45Å; N652-R655 WeakPolarHBondContact O-CB 3.4Å; N652-R655 PolarHBondContact O-N 3.14Å; N652-V656 PolarHBondContact O-N 2.99Å
653	K	84.7	Confident	87.1	Confident	60 Å²	60	54 Å²	54	26%	0.261	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-37.6	-177.1	-61.6	-175.2	-172.4	-175.6	0	112.3	R655 V656 M657 N683 E686	K653-R655 VanDerWaalsContact C-N 3.33Å; K653-R655 PolarHBondContact O-N 2.97Å; K653-V656 WeakPolarHBondContact O-CB 3.24Å; K653-V656 PolarHBondContact O-N 3.43Å; K653-V656 VanDerWaalsContact O-N 3.14Å; K653-M657 WeakPolarHBondContact O-CG 3.34Å; K653-M657 PolarHBondContact O-N 2.85Å; K653-N683 PolarHBondContact NZ-OD1 3.43Å; K653-E686 WeakPolarHBondContact CE-OE1 3.23Å; K653-E686 WeakPolarHBondContact CE-OE2 3.45Å; K653-E686 IonicContact NZ-OE1 3.58Å; K653-E686 IonicContact NZ-OE2 2.69Å; K653-E686 PolarHBondContact NZ-OE2 2.81Å
654	D	87.2	Confident	86.3	Confident	112 Å²	112	58.6 Å²	58.6	60%	0.599	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-39.9	178.7	-45.4	-47.7	0	0	0	111.6	N652 M657 H658	N652-D654 VanDerWaalsContact C-N 3.26Å; N652-D654 PolarHBondContact ND2-OD2 3.33Å; N652-D654 PolarHBondContact O-N 3.21Å; N652-D654 PolarHBondContact OD1-OD2 3.24Å; D654-M657 PolarHBondContact O-N 3.34Å; D654-H658 WeakPolarHBondContact O-CB 3.45Å; D654-H658 PolarHBondContact O-N 2.93Å
655	R	84.8	Confident	85.4	Confident	130 Å²	130	65.9 Å²	65.9	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-68.6	-36.7	174.3	-67.7	179.9	176	173.8	-0.4	111.6	E173 I651 N652 K653 N659	E173-R655 WeakPolarHBondContact OE2-CD 3.5Å; E173-R655 IonicContact OE2-CZ 2.75Å; E173-R655 IonicContact OE2-NE 3.21Å; E173-R655 IonicContact OE2-NH1 2.63Å; E173-R655 PolarHBondContact OE2-NH1 3.32Å; I651-R655 HydrophobicContact CG2-CB 4.5Å; N652-R655 HydrophobicContact CB-CG 4.45Å; N652-R655 WeakPolarHBondContact O-CB 3.4Å; N652-R655 PolarHBondContact O-N 3.14Å; K653-R655 VanDerWaalsContact C-N 3.33Å; K653-R655 PolarHBondContact O-N 2.97Å; R655-N659 VanDerWaalsContact O-CB 3.25Å; R655-N659 WeakPolarHBondContact O-CB 3.44Å; R655-N659 PolarHBondContact O-N 3.49Å; R655-N659 PolarHBondContact O-ND2 2.91Å
656	V	83.3	Confident	84.6	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-51.1	172.4	-179.8	0	0	0	0	110.3	I651 N652 K653 H658 N659 L660 W673 A682	I651-V656 HydrophobicContact CB-CG2 4.01Å; I651-V656 HydrophobicContact CG2-CG2 3.58Å; N652-V656 PolarHBondContact O-N 2.99Å; K653-V656 WeakPolarHBondContact O-CB 3.24Å; K653-V656 PolarHBondContact O-N 3.43Å; K653-V656 VanDerWaalsContact O-N 3.14Å; V656-H658 PolarHBondContact O-N 2.95Å; V656-N659 PolarHBondContact O-N 3.41Å; V656-L660 HydrophobicContact CG1-CD1 3.72Å; V656-L660 HydrophobicContact CG1-CG 4.27Å; V656-L660 VanDerWaalsContact O-CB 3.25Å; V656-L660 WeakPolarHBondContact O-CB 3.16Å; V656-L660 WeakPolarHBondContact O-CG 3.37Å; V656-L660 PolarHBondContact O-N 3.4Å; V656-W673 HydrophobicContact CB-CH2 4.38Å; V656-W673 HydrophobicContact CB-CZ3 4.37Å; V656-W673 HydrophobicContact CG1-CZ3 4.2Å; V656-W673 HydrophobicContact CG2-CH2 4.18Å; V656-W673 HydrophobicContact CG2-CZ3 4.45Å; V656-A682 HydrophobicContact CG1-CB 4.17Å
657	M	85.9	Confident	83.6	Confident	113 Å²	113	72 Å²	72	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-62.3	-43.7	179.2	-69.5	-64.9	-73.9	0	0	112.8	K653 D654 L660 S661 A682	K653-M657 WeakPolarHBondContact O-CG 3.34Å; K653-M657 PolarHBondContact O-N 2.85Å; D654-M657 PolarHBondContact O-N 3.34Å; M657-L660 PolarHBondContact O-N 2.74Å; M657-S661 WeakPolarHBondContact O-CB 3.31Å; M657-S661 PolarHBondContact O-N 3.32Å; M657-S661 PolarHBondContact O-OG 3.3Å; M657-A682 HydrophobicContact CG-CB 4.12Å; M657-A682 HydrophobicContact SD-CB 3.91Å
658	H	86.5	Confident	82.8	Confident	90 Å²	90	72.4 Å²	72.4	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-67.8	-40	179.1	177.8	-91.9	0	0	0	113.4	D654 V656 S661 R662	D654-H658 WeakPolarHBondContact O-CB 3.45Å; D654-H658 PolarHBondContact O-N 2.93Å; V656-H658 PolarHBondContact O-N 2.95Å; H658-S661 PolarHBondContact O-OG 2.71Å; H658-R662 VanDerWaalsContact CE1-CZ 3.43Å; H658-R662 PolarHBondContact CE1-NE 2.62Å; H658-R662 PolarHBondContact NE2-NE 2.9Å; H658-R662 PolarHBondContact NE2-NH2 2.97Å; H658-R662 WeakPolarHBondContact O-CG 3.33Å; H658-R662 PolarHBondContact O-N 3.06Å; H658-R662 VanDerWaalsContact O-N 3.15Å
659	N	84.1	Confident	82.6	Confident	29 Å²	29	72.5 Å²	72.5	16%	0.155	37%	0.373	C	S	.	.	H	α-helix	trans	-74.4	-35.5	175.9	-73.1	-27.2	0	0	0	111.8	R655 V656 R662 G663 L664 W673	R655-N659 VanDerWaalsContact O-CB 3.25Å; R655-N659 WeakPolarHBondContact O-CB 3.44Å; R655-N659 PolarHBondContact O-N 3.49Å; R655-N659 PolarHBondContact O-ND2 2.91Å; V656-N659 PolarHBondContact O-N 3.41Å; N659-R662 CarbonylContact O-C 3.54Å; N659-R662 PolarHBondContact O-N 2.93Å; N659-G663 CarbonylContact O-C 3.57Å; N659-G663 PolarHBondContact O-N 3.37Å; N659-L664 PolarHBondContact O-N 3.48Å; N659-W673 HydrophobicContact CB-CH2 3.56Å; N659-W673 HydrophobicContact CB-CZ3 3.64Å; N659-W673 WeakPolarHBondContact ND2-CH2 3.45Å
660	L	83.2	Confident	82.7	Confident	47 Å²	47	75.9 Å²	75.9	25%	0.246	39%	0.391	C	S	.	.	H	α-helix	trans	-62.3	-42.9	172.2	-76	173.5	0	0	0	111.8	V656 M657 R662 G663 Q677	V656-L660 HydrophobicContact CG1-CD1 3.72Å; V656-L660 HydrophobicContact CG1-CG 4.27Å; V656-L660 VanDerWaalsContact O-CB 3.25Å; V656-L660 WeakPolarHBondContact O-CB 3.16Å; V656-L660 WeakPolarHBondContact O-CG 3.37Å; V656-L660 PolarHBondContact O-N 3.4Å; M657-L660 PolarHBondContact O-N 2.74Å; L660-R662 VanDerWaalsContact C-N 3.34Å; L660-R662 PolarHBondContact O-N 2.7Å; L660-G663 PolarHBondContact O-N 3.39Å; L660-Q677 HydrophobicContact CD2-CB 3.72Å; L660-Q677 HydrophobicContact CD2-CG 4Å
661	S	84.3	Confident	83	Confident	99 Å²	99	69.8 Å²	69.8	69%	0.692	37%	0.365	S	S	*	.	H	α-helix	trans	-68.4	-31.2	177.8	69.6	0	0	0	0	113.1	M657 H658 G663	M657-S661 WeakPolarHBondContact O-CB 3.31Å; M657-S661 PolarHBondContact O-N 3.32Å; M657-S661 PolarHBondContact O-OG 3.3Å; H658-S661 PolarHBondContact O-OG 2.71Å; S661-G663 VanDerWaalsContact C-N 3.31Å
662	R	84.3	Confident	83.2	Confident	164 Å²	164	69.6 Å²	69.6	62%	0.619	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7	169	-66.4	-177.2	-178.6	-145.8	0.5	114.2	H658 N659 L660 L664	H658-R662 VanDerWaalsContact CE1-CZ 3.43Å; H658-R662 PolarHBondContact CE1-NE 2.62Å; H658-R662 PolarHBondContact NE2-NE 2.9Å; H658-R662 PolarHBondContact NE2-NH2 2.97Å; H658-R662 WeakPolarHBondContact O-CG 3.33Å; H658-R662 PolarHBondContact O-N 3.06Å; H658-R662 VanDerWaalsContact O-N 3.15Å; N659-R662 CarbonylContact O-C 3.54Å; N659-R662 PolarHBondContact O-N 2.93Å; L660-R662 VanDerWaalsContact C-N 3.34Å; L660-R662 PolarHBondContact O-N 2.7Å; R662-L664 HydrophobicContact CB-CB 4.42Å; R662-L664 HydrophobicContact CB-CD1 3.88Å; R662-L664 HydrophobicContact CB-CG 3.89Å; R662-L664 PolarHBondContact O-N 3.02Å
663	G	79.6	Confident	83.3	Confident	50 Å²	50	66.1 Å²	66.1	52%	0.515	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	13.2	-173.1	0	0	0	0	0	114.9	N659 L660 S661	N659-G663 CarbonylContact O-C 3.57Å; N659-G663 PolarHBondContact O-N 3.37Å; L660-G663 PolarHBondContact O-N 3.39Å; S661-G663 VanDerWaalsContact C-N 3.31Å
664	L	77.6	Confident	83.6	Confident	96 Å²	96	64 Å²	64	50%	0.503	34%	0.337	S	S	.	.			trans	-83.8	132.8	-175.6	-68.8	173.9	0	0	0	110.9	N659 R662	N659-L664 PolarHBondContact O-N 3.48Å; R662-L664 HydrophobicContact CB-CB 4.42Å; R662-L664 HydrophobicContact CB-CD1 3.88Å; R662-L664 HydrophobicContact CB-CG 3.89Å; R662-L664 PolarHBondContact O-N 3.02Å
665	R	75.8	Confident	83.8	Confident	156 Å²	156	58.8 Å²	58.8	59%	0.589	31%	0.308	S	S	*	.			trans	-110.9	104.4	169.1	-63.1	-177.2	-172.1	143.3	-0	109
666	P	76.8	Confident	84	Confident	57 Å²	57	52.6 Å²	52.6	37%	0.37	29%	0.285	S	S	.	.			trans	-66.7	164.3	172.1	28.4	-32.4	0	0	0	111.1	W673	P666-W673 HydrophobicContact CG-CD2 4.32Å; P666-W673 VanDerWaalsContact CG-CE2 3.48Å; P666-W673 HydrophobicContact CG-CH2 4.41Å; P666-W673 HydrophobicContact CG-CZ2 3.55Å
667	S	72.4	Confident	84.2	Confident	71 Å²	71	56 Å²	56	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-82.4	155	-179.2	-66	0	0	0	0	112.1
668	G	75	Confident	84.3	Confident	26 Å²	26	53.1 Å²	53.1	27%	0.268	29%	0.286	S	S	.	.	S	Bend	trans	114.5	-83.9	-179	0	0	0	0	0	112.2	L670 R691	G668-L670 PolarHBondContact O-N 3.05Å; G668-R691 PolarHBondContact O-NH1 3.49Å; G668-R691 PolarHBondContact O-NH2 3.44Å
669	D	84.5	Confident	84.4	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.032	27%	0.273	C	S	.	.			trans	-81.4	77.6	-165.8	-58.4	-84.2	0	0	0	114.5	E648 G649 I651 P672 W673	E648-D669 WeakPolarHBondContact CA-OD1 3.33Å; E648-D669 HydrophobicContact CB-CB 4.5Å; E648-D669 WeakPolarHBondContact OE1-CA 3.46Å; G649-D669 PolarHBondContact N-OD1 3Å; I651-D669 HydrophobicContact CD1-CB 4.12Å; D669-P672 HydrophobicContact CB-CB 4.26Å; D669-P672 HydrophobicContact CB-CG 4.04Å; D669-W673 PolarHBondContact O-N 3.28Å
670	L	88.2	Confident	84.5	Confident	72 Å²	72	54.1 Å²	54.1	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-44.1	-175.1	-180	64.4	0	0	0	113.2	E648 G668 T674	E648-L670 PolarHBondContact OE1-N 3.41Å; G668-L670 PolarHBondContact O-N 3.05Å; L670-T674 VanDerWaalsContact O-CB 3.22Å; L670-T674 WeakPolarHBondContact O-CB 3.45Å; L670-T674 PolarHBondContact O-N 3.22Å; L670-T674 VanDerWaalsContact O-N 3.08Å; L670-T674 PolarHBondContact O-OG1 3.44Å
671	I	91.9	Very high	84.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-48	-174.5	-56.1	-178.9	0	0	0	110.9	E648 W673 T674 L675 F684 R691 Y832 I871	E648-I671 VanDerWaalsContact OE2-CB 3.25Å; E648-I671 WeakPolarHBondContact OE2-CB 3.35Å; E648-I671 WeakPolarHBondContact OE2-CG1 3.4Å; E648-I671 PolarHBondContact OE2-N 3.07Å; I671-W673 PolarHBondContact O-N 2.96Å; I671-T674 PolarHBondContact O-N 3.48Å; I671-L675 HydrophobicContact CG2-CD1 3.96Å; I671-L675 HydrophobicContact CG2-CG 4.02Å; I671-L675 WeakPolarHBondContact O-CG 3.31Å; I671-L675 PolarHBondContact O-N 3.47Å; I671-F684 HydrophobicContact CG2-CE1 4.09Å; I671-F684 HydrophobicContact CG2-CZ 4.29Å; I671-R691 HydrophobicContact CD1-CB 4.01Å; I671-R691 HydrophobicContact CD1-CG 4.06Å; I671-Y832 HydrophobicContact CG2-CE2 4.01Å; I671-I871 HydrophobicContact CD1-CG2 4.32Å; I671-I871 HydrophobicContact CG1-CG2 4.28Å; I671-I871 HydrophobicContact CG2-CG2 4.25Å
672	P	90.7	Very high	84.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-50.4	-56.3	173	-30.7	37.4	0	0	0	113.7	E648 I651 D669 T674 L675 S676	E648-P672 HydrophobicContact CB-CG 4.06Å; E648-P672 WeakPolarHBondContact OE2-CD 3.27Å; I651-P672 HydrophobicContact CD1-CB 3.91Å; D669-P672 HydrophobicContact CB-CB 4.26Å; D669-P672 HydrophobicContact CB-CG 4.04Å; P672-T674 VanDerWaalsContact C-N 3.33Å; P672-T674 PolarHBondContact O-N 3Å; P672-L675 PolarHBondContact O-N 2.95Å; P672-S676 WeakPolarHBondContact O-CB 3.36Å; P672-S676 PolarHBondContact O-N 3.28Å; P672-S676 PolarHBondContact O-OG 3.45Å; P672-S676 VanDerWaalsContact O-OG 3.05Å
673	W	89.2	Confident	84.6	Confident	9 Å²	9	45.6 Å²	45.6	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-27.9	-178.1	-69.9	114	0	0	0	114	I651 V656 N659 P666 D669 I671 Q677	I651-W673 HydrophobicContact CD1-CZ2 4.04Å; I651-W673 HydrophobicContact CG2-CH2 4.48Å; I651-W673 HydrophobicContact CG2-CZ2 4.05Å; V656-W673 HydrophobicContact CB-CH2 4.38Å; V656-W673 HydrophobicContact CB-CZ3 4.37Å; V656-W673 HydrophobicContact CG1-CZ3 4.2Å; V656-W673 HydrophobicContact CG2-CH2 4.18Å; V656-W673 HydrophobicContact CG2-CZ3 4.45Å; N659-W673 HydrophobicContact CB-CH2 3.56Å; N659-W673 HydrophobicContact CB-CZ3 3.64Å; N659-W673 WeakPolarHBondContact ND2-CH2 3.45Å; P666-W673 HydrophobicContact CG-CD2 4.32Å; P666-W673 VanDerWaalsContact CG-CE2 3.48Å; P666-W673 HydrophobicContact CG-CH2 4.41Å; P666-W673 HydrophobicContact CG-CZ2 3.55Å; D669-W673 PolarHBondContact O-N 3.28Å; I671-W673 PolarHBondContact O-N 2.96Å; W673-Q677 WeakPolarHBondContact O-CB 3.27Å; W673-Q677 PolarHBondContact O-N 3.32Å
674	T	90.7	Very high	85	Confident	16 Å²	16	43.2 Å²	43.2	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-75.6	-43.4	175.9	-55.7	0	0	0	0	111.2	L670 I671 P672 Q678 Y856 I871	L670-T674 VanDerWaalsContact O-CB 3.22Å; L670-T674 WeakPolarHBondContact O-CB 3.45Å; L670-T674 PolarHBondContact O-N 3.22Å; L670-T674 VanDerWaalsContact O-N 3.08Å; L670-T674 PolarHBondContact O-OG1 3.44Å; I671-T674 PolarHBondContact O-N 3.48Å; P672-T674 VanDerWaalsContact C-N 3.33Å; P672-T674 PolarHBondContact O-N 3Å; T674-Q678 HydrophobicContact CG2-CG 4.35Å; T674-Q678 WeakPolarHBondContact O-CB 3.44Å; T674-Q678 WeakPolarHBondContact O-CG 3.35Å; T674-Q678 PolarHBondContact O-N 2.94Å; T674-Y856 HydrophobicContact CG2-CD1 3.63Å; T674-Y856 HydrophobicContact CG2-CE1 3.64Å; T674-Y856 HydrophobicContact CG2-CG 4.15Å; T674-I871 HydrophobicContact CG2-CD1 3.68Å
675	L	90.8	Very high	85.4	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-77.3	-38.2	-176.7	-60.3	-160.9	0	0	0	112.2	I671 P672 Q677 Q678 F679 F684 V855 V873	I671-L675 HydrophobicContact CG2-CD1 3.96Å; I671-L675 HydrophobicContact CG2-CG 4.02Å; I671-L675 WeakPolarHBondContact O-CG 3.31Å; I671-L675 PolarHBondContact O-N 3.47Å; P672-L675 PolarHBondContact O-N 2.95Å; L675-Q677 VanDerWaalsContact C-N 3.32Å; L675-Q677 PolarHBondContact O-N 3.29Å; L675-Q678 PolarHBondContact O-N 2.87Å; L675-Q678 VanDerWaalsContact O-N 3.17Å; L675-F679 HydrophobicContact CB-CD2 4.41Å; L675-F679 HydrophobicContact CD2-CE2 4.27Å; L675-F679 WeakPolarHBondContact O-CD2 3.29Å; L675-F679 PolarHBondContact O-N 2.7Å; L675-F684 HydrophobicContact CB-CD1 3.69Å; L675-F684 HydrophobicContact CB-CE1 3.88Å; L675-F684 HydrophobicContact CB-CG 4.21Å; L675-F684 HydrophobicContact CD1-CD1 4.33Å; L675-F684 HydrophobicContact CD1-CE1 3.78Å; L675-F684 HydrophobicContact CD1-CE2 4.09Å; L675-F684 HydrophobicContact CD1-CZ 3.65Å; L675-F684 HydrophobicContact CG-CD1 4.43Å; L675-F684 HydrophobicContact CG-CE1 4.11Å; L675-F684 HydrophobicContact CG-CZ 4.48Å; L675-V855 HydrophobicContact CD1-CG1 3.88Å; L675-V855 HydrophobicContact CD2-CG1 3.8Å; L675-V873 HydrophobicContact CD1-CG2 4.27Å
676	S	88.9	Confident	85.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-40.7	174	67.5	0	0	0	0	111.9	P672 C680 D681	P672-S676 WeakPolarHBondContact O-CB 3.36Å; P672-S676 PolarHBondContact O-N 3.28Å; P672-S676 PolarHBondContact O-OG 3.45Å; P672-S676 VanDerWaalsContact O-OG 3.05Å; S676-C680 CarbonylContact O-C 3.5Å; S676-C680 WeakPolarHBondContact O-CA 3.4Å; S676-C680 PolarHBondContact O-N 2.99Å; S676-D681 VanDerWaalsContact CA-O 3.24Å; S676-D681 WeakPolarHBondContact CA-O 3.46Å; S676-D681 WeakPolarHBondContact CB-O 3.23Å; S676-D681 PolarHBondContact O-N 3.02Å
677	Q	87.9	Confident	86.4	Confident	72 Å²	72	35.9 Å²	35.9	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-71.8	-32.5	174.6	-167.7	177.4	16.1	0	0	113.3	L660 W673 L675	L660-Q677 HydrophobicContact CD2-CB 3.72Å; L660-Q677 HydrophobicContact CD2-CG 4Å; W673-Q677 WeakPolarHBondContact O-CB 3.27Å; W673-Q677 PolarHBondContact O-N 3.32Å; L675-Q677 VanDerWaalsContact C-N 3.32Å; L675-Q677 PolarHBondContact O-N 3.29Å
678	Q	88.1	Confident	87.3	Confident	53 Å²	53	33.1 Å²	33.1	25%	0.248	18%	0.184	C	C	.	.	H	α-helix	trans	-76.2	-40.3	-179.3	-76.8	-65	-53.5	0	0	112.9	T674 L675 Y856 R899	T674-Q678 HydrophobicContact CG2-CG 4.35Å; T674-Q678 WeakPolarHBondContact O-CB 3.44Å; T674-Q678 WeakPolarHBondContact O-CG 3.35Å; T674-Q678 PolarHBondContact O-N 2.94Å; L675-Q678 PolarHBondContact O-N 2.87Å; L675-Q678 VanDerWaalsContact O-N 3.17Å; Q678-Y856 VanDerWaalsContact CD-CE2 3.46Å; Q678-Y856 HydrophobicContact CG-CD2 3.66Å; Q678-Y856 HydrophobicContact CG-CE2 3.8Å; Q678-Y856 HydrophobicContact CG-CG 4.37Å; Q678-R899 VanDerWaalsContact O-CZ 3.24Å; Q678-R899 PolarHBondContact O-NH1 2.88Å; Q678-R899 PolarHBondContact O-NH2 3.1Å
679	F	88.4	Confident	88	Confident	30 Å²	30	31.9 Å²	31.9	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-99.1	-3.8	-179	-62.8	-73.8	0	0	0	113.6	L675 D681 V855 Y892 D895	L675-F679 HydrophobicContact CB-CD2 4.41Å; L675-F679 HydrophobicContact CD2-CE2 4.27Å; L675-F679 WeakPolarHBondContact O-CD2 3.29Å; L675-F679 PolarHBondContact O-N 2.7Å; F679-D681 HydrophobicContact CB-CB 4.44Å; F679-D681 PolarHBondContact O-N 3.45Å; F679-V855 HydrophobicContact CE2-CG1 3.64Å; F679-V855 HydrophobicContact CZ-CG1 3.95Å; F679-Y892 HydrophobicContact CB-CD1 4.33Å; F679-Y892 HydrophobicContact CB-CE1 3.83Å; F679-Y892 AromaticContact CD1-CD1 3.57Å; F679-Y892 HydrophobicContact CD1-CD1 3.57Å; F679-Y892 AromaticContact CD1-CE1 3.94Å; F679-Y892 HydrophobicContact CD1-CE1 3.94Å; F679-Y892 HydrophobicContact CD1-CG 4.14Å; F679-Y892 AromaticContact CD2-CD1 3.96Å; F679-Y892 HydrophobicContact CD2-CD1 3.96Å; F679-Y892 AromaticContact CD2-CD2 3.95Å; F679-Y892 HydrophobicContact CD2-CD2 3.95Å; F679-Y892 HydrophobicContact CD2-CE1 4.11Å; F679-Y892 HydrophobicContact CD2-CE2 4.1Å; F679-Y892 AromaticContact CD2-CG 3.9Å; F679-Y892 HydrophobicContact CD2-CG 3.9Å; F679-Y892 AromaticContact CE1-CD1 3.8Å; F679-Y892 HydrophobicContact CE1-CD1 3.8Å; F679-Y892 HydrophobicContact CE1-CG 4Å; F679-Y892 HydrophobicContact CE2-CD1 4.16Å; F679-Y892 AromaticContact CE2-CD2 3.95Å; F679-Y892 HydrophobicContact CE2-CD2 3.95Å; F679-Y892 AromaticContact CE2-CG 3.75Å; F679-Y892 HydrophobicContact CE2-CG 3.75Å; F679-Y892 AromaticContact CG-CD1 3.67Å; F679-Y892 HydrophobicContact CG-CD1 3.67Å; F679-Y892 HydrophobicContact CG-CD2 4.46Å; F679-Y892 AromaticContact CG-CE1 3.67Å; F679-Y892 HydrophobicContact CG-CE1 3.67Å; F679-Y892 HydrophobicContact CG-CE2 4.47Å; F679-Y892 HydrophobicContact CG-CG 4.1Å; F679-Y892 HydrophobicContact CZ-CD1 4.1Å; F679-Y892 HydrophobicContact CZ-CD2 4.47Å; F679-Y892 AromaticContact CZ-CG 3.82Å; F679-Y892 HydrophobicContact CZ-CG 3.82Å; F679-D895 HydrophobicContact CE1-CB 4.07Å
680	C	85.8	Confident	88.4	Confident	109 Å²	109	31.6 Å²	31.6	74%	0.736	17%	0.17	S	C	*	.			trans	58.1	21.3	-171.8	-60	0	0	0	0	113.6	S676	S676-C680 CarbonylContact O-C 3.5Å; S676-C680 WeakPolarHBondContact O-CA 3.4Å; S676-C680 PolarHBondContact O-N 2.99Å
681	D	85.2	Confident	88.7	Confident	33 Å²	33	29.7 Å²	29.7	18%	0.176	16%	0.158	C	C	.	.			trans	-94.2	116.2	178.7	174	40.7	0	0	0	111.2	S676 F679 N683 F684 Y892	S676-D681 VanDerWaalsContact CA-O 3.24Å; S676-D681 WeakPolarHBondContact CA-O 3.46Å; S676-D681 WeakPolarHBondContact CB-O 3.23Å; S676-D681 PolarHBondContact O-N 3.02Å; F679-D681 HydrophobicContact CB-CB 4.44Å; F679-D681 PolarHBondContact O-N 3.45Å; D681-N683 VanDerWaalsContact OD1-CB 3.26Å; D681-N683 WeakPolarHBondContact OD1-CB 3.42Å; D681-N683 PolarHBondContact OD1-N 2.97Å; D681-N683 PolarHBondContact OD1-ND2 2.88Å; D681-F684 WeakPolarHBondContact OD2-CB 3.3Å; D681-F684 PolarHBondContact OD2-N 2.76Å; D681-Y892 VanDerWaalsContact CB-OH 3.32Å; D681-Y892 WeakPolarHBondContact CB-OH 3.44Å; D681-Y892 PolarHBondContact OD2-OH 3.19Å
682	A	83.3	Confident	88.8	Confident	14 Å²	14	29.9 Å²	29.9	12%	0.116	16%	0.159	C	C	.	.	S	Bend	trans	-75.5	-22.9	173.2	0	0	0	0	0	112.9	V656 M657 F684 G685	V656-A682 HydrophobicContact CG1-CB 4.17Å; M657-A682 HydrophobicContact CG-CB 4.12Å; M657-A682 HydrophobicContact SD-CB 3.91Å; A682-F684 VanDerWaalsContact C-N 3.34Å; A682-F684 PolarHBondContact O-N 3.12Å; A682-G685 PolarHBondContact O-N 3.03Å; A682-G685 VanDerWaalsContact O-N 3.11Å
683	N	86.6	Confident	88.9	Confident	84 Å²	84	32 Å²	32	45%	0.449	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-68.3	-33.7	-176.2	-56.7	-75.9	0	0	0	111.8	K653 D681 G685 E686	K653-N683 PolarHBondContact NZ-OD1 3.43Å; D681-N683 VanDerWaalsContact OD1-CB 3.26Å; D681-N683 WeakPolarHBondContact OD1-CB 3.42Å; D681-N683 PolarHBondContact OD1-N 2.97Å; D681-N683 PolarHBondContact OD1-ND2 2.88Å; N683-G685 PolarHBondContact O-N 3.42Å; N683-G685 VanDerWaalsContact O-N 3.08Å; N683-E686 WeakPolarHBondContact O-CB 3.47Å; N683-E686 PolarHBondContact O-N 3.21Å
684	F	87.7	Confident	88.9	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-58.1	-21.9	172.8	-164.4	-89.5	0	0	0	113.9	I671 L675 D681 A682 L687 Y832 W888 Y892	I671-F684 HydrophobicContact CG2-CE1 4.09Å; I671-F684 HydrophobicContact CG2-CZ 4.29Å; L675-F684 HydrophobicContact CB-CD1 3.69Å; L675-F684 HydrophobicContact CB-CE1 3.88Å; L675-F684 HydrophobicContact CB-CG 4.21Å; L675-F684 HydrophobicContact CD1-CD1 4.33Å; L675-F684 HydrophobicContact CD1-CE1 3.78Å; L675-F684 HydrophobicContact CD1-CE2 4.09Å; L675-F684 HydrophobicContact CD1-CZ 3.65Å; L675-F684 HydrophobicContact CG-CD1 4.43Å; L675-F684 HydrophobicContact CG-CE1 4.11Å; L675-F684 HydrophobicContact CG-CZ 4.48Å; D681-F684 WeakPolarHBondContact OD2-CB 3.3Å; D681-F684 PolarHBondContact OD2-N 2.76Å; A682-F684 VanDerWaalsContact C-N 3.34Å; A682-F684 PolarHBondContact O-N 3.12Å; F684-L687 HydrophobicContact CD2-CD1 3.75Å; F684-L687 HydrophobicContact CE2-CD1 3.99Å; F684-Y832 HydrophobicContact CE1-CE1 4.03Å; F684-Y832 HydrophobicContact CE1-CE2 4.45Å; F684-Y832 AromaticContact CE1-CZ 3.73Å; F684-Y832 WeakPolarHBondContact CE1-OH 3.27Å; F684-Y832 HydrophobicContact CE2-CD1 4.24Å; F684-Y832 AromaticContact CE2-CE1 3.99Å; F684-Y832 HydrophobicContact CE2-CE1 3.99Å; F684-Y832 AromaticContact CZ-CD1 4Å; F684-Y832 HydrophobicContact CZ-CD1 4Å; F684-Y832 HydrophobicContact CZ-CD2 4.39Å; F684-Y832 AromaticContact CZ-CE1 3.43Å; F684-Y832 HydrophobicContact CZ-CE1 3.43Å; F684-Y832 VanDerWaalsContact CZ-CE1 3.43Å; F684-Y832 AromaticContact CZ-CE2 3.88Å; F684-Y832 HydrophobicContact CZ-CE2 3.88Å; F684-Y832 HydrophobicContact CZ-CG 4.45Å; F684-Y832 AromaticContact CZ-CZ 3.35Å; F684-W888 HydrophobicContact CD2-CZ3 4.2Å; F684-W888 HydrophobicContact CE2-CE3 4.36Å; F684-W888 AromaticContact CE2-CH2 3.9Å; F684-W888 HydrophobicContact CE2-CH2 3.9Å; F684-W888 AromaticContact CE2-CZ3 3.63Å; F684-W888 HydrophobicContact CE2-CZ3 3.63Å; F684-Y892 HydrophobicContact CD2-CE2 4.15Å
685	G	84.8	Confident	89	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-72.7	-27	173.9	0	0	0	0	0	114.6	K650 I651 A682 N683	K650-G685 PolarHBondContact N-O 3.01Å; I651-G685 WeakPolarHBondContact CB-O 3.47Å; I651-G685 PolarHBondContact N-O 2.89Å; A682-G685 PolarHBondContact O-N 3.03Å; A682-G685 VanDerWaalsContact O-N 3.11Å; N683-G685 PolarHBondContact O-N 3.42Å; N683-G685 VanDerWaalsContact O-N 3.08Å
686	E	86.9	Confident	89	Confident	105 Å²	105	34 Å²	34	49%	0.491	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.6	176.8	-179	175.8	-128.7	0	0	111.5	K650 K653 N683	K650-E686 WeakPolarHBondContact CA-O 3.45Å; K653-E686 WeakPolarHBondContact CE-OE1 3.23Å; K653-E686 WeakPolarHBondContact CE-OE2 3.45Å; K653-E686 IonicContact NZ-OE1 3.58Å; K653-E686 IonicContact NZ-OE2 2.69Å; K653-E686 PolarHBondContact NZ-OE2 2.81Å; N683-E686 WeakPolarHBondContact O-CB 3.47Å; N683-E686 PolarHBondContact O-N 3.21Å
687	L	88.6	Confident	88.9	Confident	48 Å²	48	34.9 Å²	34.9	25%	0.251	19%	0.185	S	C	.	.	S	Bend	trans	-59.8	141.4	-178.2	-61.4	-178.6	0	0	0	112.7	G649 K650 F684 D831 Y832	G649-L687 WeakPolarHBondContact CA-O 3.43Å; K650-L687 PolarHBondContact N-O 3.06Å; F684-L687 HydrophobicContact CD2-CD1 3.75Å; F684-L687 HydrophobicContact CE2-CD1 3.99Å; L687-D831 HydrophobicContact CD2-CB 4.43Å; L687-Y832 HydrophobicContact CB-CD1 4.3Å; L687-Y832 HydrophobicContact CB-CE1 3.91Å
688	S	89.4	Confident	88.7	Confident	13 Å²	13	32.1 Å²	32.1	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105.6	-178.1	-169.2	0	0	0	0	110.1	K650 K829 L830 D831	K650-S688 VanDerWaalsContact CE-CB 3.44Å; K650-S688 WeakPolarHBondContact CE-OG 3.48Å; S688-K829 PolarHBondContact OG-O 2.97Å; S688-L830 WeakPolarHBondContact O-CA 3.49Å; S688-L830 WeakPolarHBondContact OG-CD2 3.46Å; S688-D831 WeakPolarHBondContact CB-OD2 3.43Å; S688-D831 PolarHBondContact N-OD2 3.3Å; S688-D831 PolarHBondContact O-N 3.01Å
689	G	90.8	Very high	88.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	156.6	-174.8	0	0	0	0	0	114.4	E648 Y832	E648-G689 PolarHBondContact N-O 3.13Å; E648-G689 PolarHBondContact O-N 3.31Å; G689-Y832 VanDerWaalsContact CA-CZ 3.41Å
690	V	93	Very high	87.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.4	160.8	140.6	0	0	0	0	110.2	V645 S646 L647 Y718 L830 Y832 I833 G834	V645-V690 HydrophobicContact CG1-CB 4.36Å; V645-V690 HydrophobicContact CG1-CG1 3.58Å; V645-V690 HydrophobicContact CG1-CG2 3.84Å; S646-V690 CarbonylContact O-C 3.48Å; S646-V690 WeakPolarHBondContact O-CA 3.48Å; L647-V690 HydrophobicContact CD2-CG2 3.57Å; V690-Y718 HydrophobicContact CG1-CE2 4.26Å; V690-Y718 HydrophobicContact CG2-CE2 4.3Å; V690-L830 HydrophobicContact CB-CD1 3.89Å; V690-L830 HydrophobicContact CG2-CD1 3.39Å; V690-L830 HydrophobicContact CG2-CD2 4.02Å; V690-L830 HydrophobicContact CG2-CG 4.37Å; V690-Y832 PolarHBondContact N-O 3.43Å; V690-I833 HydrophobicContact CB-CG1 4.39Å; V690-I833 HydrophobicContact CG1-CG1 4.13Å; V690-I833 HydrophobicContact CG1-CG2 4.1Å; V690-I833 CarbonylContact O-C 3.58Å; V690-I833 WeakPolarHBondContact O-CA 3.36Å; V690-G834 PolarHBondContact O-N 3.5Å
691	R	94.4	Very high	87.3	Confident	32 Å²	32	29.8 Å²	29.8	12%	0.121	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.4	169.7	173.7	-175.6	63.1	-170.6	-15.2	109.3	S646 E648 G668 I671 V693 G834	S646-R691 PolarHBondContact N-O 2.73Å; S646-R691 PolarHBondContact O-N 3.13Å; S646-R691 PolarHBondContact OG-NH2 3.11Å; E648-R691 HydrophobicContact CG-CB 4.06Å; E648-R691 WeakPolarHBondContact OE1-CD 3.14Å; E648-R691 IonicContact OE1-CZ 3.53Å; E648-R691 IonicContact OE1-NE 3.44Å; E648-R691 PolarHBondContact OE1-NE 2.72Å; E648-R691 IonicContact OE1-NH1 3.62Å; E648-R691 PolarHBondContact OE1-NH1 3.34Å; E648-R691 IonicContact OE1-NH2 2.7Å; E648-R691 PolarHBondContact OE1-NH2 3.25Å; E648-R691 VanDerWaalsContact OE1-NH2 3.09Å; G668-R691 PolarHBondContact O-NH1 3.49Å; G668-R691 PolarHBondContact O-NH2 3.44Å; I671-R691 HydrophobicContact CD1-CB 4.01Å; I671-R691 HydrophobicContact CD1-CG 4.06Å; R691-V693 HydrophobicContact CG-CG2 4.36Å; R691-V693 PolarHBondContact O-N 3.32Å; R691-G834 WeakPolarHBondContact CA-O 3.41Å
692	V	94.7	Very high	87.2	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.2	165.4	-171.6	0	0	0	0	107.9	I695 L711 L714 I833 G834 V835	V692-I695 HydrophobicContact CG1-CD1 4.22Å; V692-I695 HydrophobicContact CG1-CG1 3.86Å; V692-L711 HydrophobicContact CG2-CD2 4.42Å; V692-L714 HydrophobicContact CG2-CD2 4.11Å; V692-I833 HydrophobicContact CG2-CG2 4.08Å; V692-G834 PolarHBondContact N-O 2.93Å; V692-V835 HydrophobicContact CB-CG1 3.7Å; V692-V835 HydrophobicContact CG2-CG1 4.42Å
693	V	91.3	Very high	87.1	Confident	45 Å²	45	36.9 Å²	36.9	27%	0.273	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-40.7	-172.9	-170.9	0	0	0	0	111	Q644 R691	Q644-V693 HydrophobicContact CB-CB 4.35Å; Q644-V693 HydrophobicContact CG-CB 4.39Å; Q644-V693 PolarHBondContact O-N 2.9Å; R691-V693 HydrophobicContact CG-CG2 4.36Å; R691-V693 PolarHBondContact O-N 3.32Å
694	R	90.2	Very high	87.1	Confident	35 Å²	35	37 Å²	37	13%	0.132	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.3	-179.1	-64.1	-167.7	-179.5	-172.7	2	111.8	Y599 H603 N606 D610 Q644	Y599-R694 HydrophobicContact CD1-CB 4.16Å; Y599-R694 HydrophobicContact CE1-CB 3.71Å; Y599-R694 HydrophobicContact CE1-CG 4.44Å; H603-R694 WeakPolarHBondContact NE2-CB 3.46Å; N606-R694 PolarHBondContact OD1-NH1 2.89Å; D610-R694 IonicContact OD1-NH2 2.68Å; D610-R694 PolarHBondContact OD1-NH2 3.29Å; D610-R694 IonicContact OD2-CZ 3.04Å; D610-R694 IonicContact OD2-NH1 2.79Å; D610-R694 PolarHBondContact OD2-NH1 3.41Å; D610-R694 IonicContact OD2-NH2 3.07Å; D610-R694 PolarHBondContact OD2-NH2 3.12Å; Q644-R694 HydrophobicContact CB-CB 3.83Å; Q644-R694 HydrophobicContact CB-CG 4.44Å; Q644-R694 PolarHBondContact N-O 3Å; Q644-R694 PolarHBondContact O-N 2.96Å
695	I	92.4	Very high	87.2	Confident	35 Å²	35	38.1 Å²	38.1	18%	0.179	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112	167.9	-58.6	-168.8	0	0	0	106.9	V642 L643 V692 L711 F846 W847	V642-I695 WeakPolarHBondContact O-CA 3.37Å; L643-I695 HydrophobicContact CD2-CB 4.25Å; L643-I695 HydrophobicContact CD2-CD1 3.95Å; L643-I695 HydrophobicContact CD2-CG1 3.71Å; L643-I695 HydrophobicContact CD2-CG2 3.95Å; V692-I695 HydrophobicContact CG1-CD1 4.22Å; V692-I695 HydrophobicContact CG1-CG1 3.86Å; I695-L711 HydrophobicContact CD1-CD1 3.79Å; I695-L711 HydrophobicContact CD1-CD2 3.87Å; I695-L711 HydrophobicContact CD1-CG 3.86Å; I695-F846 HydrophobicContact CD1-CE1 4.2Å; I695-F846 HydrophobicContact CD1-CZ 4.3Å; I695-W847 HydrophobicContact CD1-CH2 3.49Å; I695-W847 VanDerWaalsContact CD1-CH2 3.49Å; I695-W847 HydrophobicContact CD1-CZ2 3.82Å
696	A	90.1	Very high	87.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.4	179.4	0	0	0	0	0	110.6	L598 Y599 S602 C641 V642	L598-A696 HydrophobicContact CB-CB 3.95Å; Y599-A696 HydrophobicContact CD1-CB 3.64Å; Y599-A696 HydrophobicContact CE1-CB 4Å; Y599-A696 HydrophobicContact CG-CB 4.47Å; S602-A696 WeakPolarHBondContact OG-CA 3.4Å; S602-A696 WeakPolarHBondContact OG-CB 3.08Å; C641-A696 CarbonylContact C-O 3.59Å; C641-A696 VanDerWaalsContact CA-O 3.25Å; C641-A696 WeakPolarHBondContact CA-O 3.48Å; V642-A696 HydrophobicContact CB-CB 4.34Å; V642-A696 PolarHBondContact N-O 2.9Å; V642-A696 PolarHBondContact O-N 2.82Å
697	T	88.3	Confident	87.7	Confident	18 Å²	18	33.9 Å²	33.9	11%	0.11	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.6	168.2	53.1	0	0	0	0	108.4	C641	C641-T697 HydrophobicContact CB-CG2 3.76Å; C641-T697 WeakPolarHBondContact SG-CG2 3.31Å
698	H	82.2	Confident	87.8	Confident	15 Å²	15	34.3 Å²	34.3	7%	0.069	21%	0.205	C	C	.	.			trans	-51.4	136.3	175.5	-166.1	-101.4	0	0	0	110.6	L598 D700 Y701 Q702	L598-H698 HydrophobicContact CD2-CB 3.99Å; H698-D700 IonicContact CE1-OD2 3.02Å; H698-D700 PolarHBondContact CE1-OD2 2.86Å; H698-D700 IonicContact ND1-OD2 3.86Å; H698-D700 PolarHBondContact O-N 3.43Å; H698-D700 VanDerWaalsContact O-N 3.11Å; H698-Y701 HydrophobicContact CB-CD2 3.67Å; H698-Y701 HydrophobicContact CB-CE2 4.08Å; H698-Y701 HydrophobicContact CB-CG 3.99Å; H698-Y701 PolarHBondContact O-N 3.09Å; H698-Q702 PolarHBondContact O-N 2.99Å
699	P	76.6	Confident	87.9	Confident	27 Å²	27	36.3 Å²	36.3	18%	0.175	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-53.3	-34.6	-174.4	16.6	-31.8	0	0	0	114.3	Q702	P699-Q702 WeakPolarHBondContact O-CB 3.37Å; P699-Q702 WeakPolarHBondContact O-CG 3.5Å; P699-Q702 PolarHBondContact O-N 2.88Å
700	D	76.5	Confident	88	Confident	75 Å²	75	36.3 Å²	36.3	40%	0.401	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-82.7	-11.2	179.7	-53.7	-51.1	0	0	0	113.7	R471 H698	R471-D700 IonicContact CZ-OD1 2.81Å; R471-D700 IonicContact NH1-OD1 3.96Å; R471-D700 PolarHBondContact NH1-OD1 3.45Å; R471-D700 IonicContact NH2-OD1 3.83Å; H698-D700 IonicContact CE1-OD2 3.02Å; H698-D700 PolarHBondContact CE1-OD2 2.86Å; H698-D700 IonicContact ND1-OD2 3.86Å; H698-D700 PolarHBondContact O-N 3.43Å; H698-D700 VanDerWaalsContact O-N 3.11Å
701	Y	81.3	Confident	88	Confident	41 Å²	41	36.6 Å²	36.6	16%	0.161	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-90.5	-3.4	170.9	-58.6	-14.4	0	0	0	112.3	L565 E638 L640 H698 G703 L704	L565-Y701 HydrophobicContact CD1-CE1 3.85Å; L565-Y701 HydrophobicContact CD2-CD1 4.31Å; L565-Y701 HydrophobicContact CD2-CE1 4.43Å; E638-Y701 WeakPolarHBondContact OE1-CE2 3.44Å; E638-Y701 PolarHBondContact OE1-OH 2.95Å; L640-Y701 HydrophobicContact CD2-CD2 4.3Å; L640-Y701 HydrophobicContact CD2-CE2 3.79Å; H698-Y701 HydrophobicContact CB-CD2 3.67Å; H698-Y701 HydrophobicContact CB-CE2 4.08Å; H698-Y701 HydrophobicContact CB-CG 3.99Å; H698-Y701 PolarHBondContact O-N 3.09Å; Y701-G703 PolarHBondContact O-N 3.34Å; Y701-L704 PolarHBondContact O-N 2.67Å
702	Q	81.4	Confident	87.9	Confident	111 Å²	111	40.6 Å²	40.6	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	131.7	178.2	-64.9	-177.8	13.7	0	0	110.8	H698 P699	H698-Q702 PolarHBondContact O-N 2.99Å; P699-Q702 WeakPolarHBondContact O-CB 3.37Å; P699-Q702 WeakPolarHBondContact O-CG 3.5Å; P699-Q702 PolarHBondContact O-N 2.88Å
703	G	82.7	Confident	87.8	Confident	85 Å²	85	41.7 Å²	41.7	88%	0.876	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	-17.6	-174.9	0	0	0	0	0	114.9	Y701 G705	Y701-G703 PolarHBondContact O-N 3.34Å; G703-G705 VanDerWaalsContact C-N 3.3Å; G703-G705 PolarHBondContact O-N 2.78Å
704	L	86.8	Confident	87.8	Confident	87 Å²	87	39.6 Å²	39.6	46%	0.455	22%	0.223	S	C	.	.	S	Bend	trans	-80.1	-4.9	-178.8	-56.4	-179.8	0	0	0	114.5	L565 V568 Y701 Y706	L565-L704 HydrophobicContact CD2-CD1 3.36Å; V568-L704 VanDerWaalsContact CG2-O 3.29Å; V568-L704 WeakPolarHBondContact CG2-O 3.21Å; Y701-L704 PolarHBondContact O-N 2.67Å; L704-Y706 HydrophobicContact CB-CD2 4.08Å; L704-Y706 HydrophobicContact CB-CE2 3.95Å; L704-Y706 HydrophobicContact CD1-CE2 4.23Å
705	G	88.7	Confident	87.9	Confident	23 Å²	23	39.7 Å²	39.7	24%	0.237	22%	0.223	C	C	.	.	S	Bend	trans	94.5	-4.9	170.7	0	0	0	0	0	116.6	G703 G707 T708 R709	G703-G705 VanDerWaalsContact C-N 3.3Å; G703-G705 PolarHBondContact O-N 2.78Å; G705-G707 VanDerWaalsContact C-N 3.33Å; G705-G707 PolarHBondContact O-N 3.46Å; G705-T708 WeakPolarHBondContact CA-OG1 3.46Å; G705-T708 PolarHBondContact O-N 3.32Å; G705-T708 VanDerWaalsContact O-N 3.1Å; G705-T708 PolarHBondContact O-OG1 3.12Å; G705-R709 PolarHBondContact O-N 2.9Å
706	Y	91.1	Very high	87.7	Confident	8 Å²	8	39.3 Å²	39.3	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-43.6	177.2	-63.2	-64.8	0	0	0	113.2	L565 P566 V568 L625 L640 L704 T708 R709 A710	L565-Y706 HydrophobicContact CD2-CE2 4.05Å; P566-Y706 PolarHBondContact O-OH 3.36Å; V568-Y706 HydrophobicContact CG2-CD1 4.02Å; V568-Y706 HydrophobicContact CG2-CE1 3.89Å; L625-Y706 HydrophobicContact CD2-CD1 4.08Å; L625-Y706 HydrophobicContact CD2-CG 4.44Å; L640-Y706 HydrophobicContact CD1-CD1 4.17Å; L640-Y706 HydrophobicContact CD1-CE1 4Å; L704-Y706 HydrophobicContact CB-CD2 4.08Å; L704-Y706 HydrophobicContact CB-CE2 3.95Å; L704-Y706 HydrophobicContact CD1-CE2 4.23Å; Y706-T708 PolarHBondContact O-N 3.31Å; Y706-R709 WeakPolarHBondContact O-CB 3.26Å; Y706-R709 PolarHBondContact O-N 3.42Å; Y706-A710 WeakPolarHBondContact O-CB 3.24Å; Y706-A710 PolarHBondContact O-N 3.3Å
707	G	90.3	Very high	87.7	Confident	9 Å²	9	39.5 Å²	39.5	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-36.4	176.9	0	0	0	0	0	114.1	G705 L711	G705-G707 VanDerWaalsContact C-N 3.33Å; G705-G707 PolarHBondContact O-N 3.46Å; G707-L711 PolarHBondContact O-N 3.31Å
708	T	91.7	Very high	87.8	Confident	57 Å²	57	39 Å²	39	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-70.2	-33.8	173.3	32.4	0	0	0	0	112.4	G705 Y706 K712 F846	G705-T708 WeakPolarHBondContact CA-OG1 3.46Å; G705-T708 PolarHBondContact O-N 3.32Å; G705-T708 VanDerWaalsContact O-N 3.1Å; G705-T708 PolarHBondContact O-OG1 3.12Å; Y706-T708 PolarHBondContact O-N 3.31Å; T708-K712 WeakPolarHBondContact O-CB 3.21Å; T708-K712 PolarHBondContact O-N 3.07Å; T708-F846 HydrophobicContact CG2-CD2 4.1Å; T708-F846 HydrophobicContact CG2-CE2 3.74Å
709	R	91.9	Very high	87.9	Confident	55 Å²	55	39.6 Å²	39.6	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-44.7	173.5	175.5	66.3	165	152.6	-8.3	111.9	V568 D569 L625 G705 Y706 K712 L713	V568-R709 HydrophobicContact CG1-CB 3.35Å; V568-R709 HydrophobicContact CG1-CG 3.71Å; V568-R709 WeakPolarHBondContact O-CG 3.33Å; V568-R709 PolarHBondContact O-NE 3Å; D569-R709 PolarHBondContact O-NH2 3.12Å; L625-R709 HydrophobicContact CD1-CG 4.44Å; G705-R709 PolarHBondContact O-N 2.9Å; Y706-R709 WeakPolarHBondContact O-CB 3.26Å; Y706-R709 PolarHBondContact O-N 3.42Å; R709-K712 PolarHBondContact O-N 3.43Å; R709-L713 HydrophobicContact CG-CD1 4.21Å; R709-L713 WeakPolarHBondContact O-CG 3.46Å; R709-L713 PolarHBondContact O-N 3.29Å
710	A	93.2	Very high	87.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-45.8	176	0	0	0	0	0	111.3	L573 L625 C641 L643 Y706 K712 L713 L714	L573-A710 HydrophobicContact CD1-CB 4.4Å; L625-A710 HydrophobicContact CB-CB 4.27Å; L625-A710 HydrophobicContact CD1-CB 4.31Å; L625-A710 HydrophobicContact CD2-CB 4.42Å; C641-A710 HydrophobicContact CB-CB 4.36Å; L643-A710 HydrophobicContact CD1-CB 3.9Å; L643-A710 HydrophobicContact CD2-CB 4.26Å; L643-A710 HydrophobicContact CG-CB 4.19Å; Y706-A710 WeakPolarHBondContact O-CB 3.24Å; Y706-A710 PolarHBondContact O-N 3.3Å; A710-K712 VanDerWaalsContact C-N 3.34Å; A710-K712 PolarHBondContact O-N 3.09Å; A710-L713 PolarHBondContact O-N 3.25Å; A710-L714 WeakPolarHBondContact O-CB 3.44Å; A710-L714 PolarHBondContact O-N 3.11Å
711	L	93.1	Very high	87.1	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-33.8	173.7	-80.6	-178.6	0	0	0	113.8	V692 I695 G707 L714 Y715 F846 W847	V692-L711 HydrophobicContact CG2-CD2 4.42Å; I695-L711 HydrophobicContact CD1-CD1 3.79Å; I695-L711 HydrophobicContact CD1-CD2 3.87Å; I695-L711 HydrophobicContact CD1-CG 3.86Å; G707-L711 PolarHBondContact O-N 3.31Å; L711-L714 HydrophobicContact CD2-CD2 4.5Å; L711-Y715 WeakPolarHBondContact O-CB 3.25Å; L711-Y715 PolarHBondContact O-N 2.76Å; L711-F846 HydrophobicContact CD1-CE1 3.6Å; L711-F846 HydrophobicContact CD1-CZ 3.51Å; L711-W847 HydrophobicContact CD1-CE3 4.21Å; L711-W847 HydrophobicContact CD1-CH2 3.76Å; L711-W847 HydrophobicContact CD1-CZ3 3.46Å; L711-W847 VanDerWaalsContact CD1-CZ3 3.46Å; L711-W847 HydrophobicContact CD2-CH2 4.31Å; L711-W847 HydrophobicContact CD2-CZ3 4.25Å
712	K	92	Very high	85.8	Confident	117 Å²	117	45.1 Å²	45.1	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-52.4	173.5	-165.4	-163.2	169.6	-166.8	0	110.1	T708 R709 A710 L714 Y715 D716	T708-K712 WeakPolarHBondContact O-CB 3.21Å; T708-K712 PolarHBondContact O-N 3.07Å; R709-K712 PolarHBondContact O-N 3.43Å; A710-K712 VanDerWaalsContact C-N 3.34Å; A710-K712 PolarHBondContact O-N 3.09Å; K712-L714 VanDerWaalsContact C-N 3.26Å; K712-L714 PolarHBondContact O-N 3.47Å; K712-Y715 CarbonylContact O-C 3.57Å; K712-Y715 WeakPolarHBondContact O-CA 3.46Å; K712-Y715 WeakPolarHBondContact O-CB 3.48Å; K712-Y715 PolarHBondContact O-N 3.39Å; K712-D716 WeakPolarHBondContact CE-OD2 3.44Å; K712-D716 WeakPolarHBondContact CG-OD2 3.48Å; K712-D716 IonicContact NZ-OD2 2.66Å; K712-D716 PolarHBondContact O-N 2.86Å
713	L	91.8	Very high	83.9	Confident	27 Å²	27	45.7 Å²	45.7	14%	0.141	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-36.1	178.8	-69.8	172.5	0	0	0	112.7	L573 L625 R709 A710 Y717	L573-L713 HydrophobicContact CB-CB 3.98Å; L573-L713 HydrophobicContact CB-CD1 3.79Å; L573-L713 HydrophobicContact CD2-CB 3.85Å; L625-L713 HydrophobicContact CD1-CD1 4Å; R709-L713 HydrophobicContact CG-CD1 4.21Å; R709-L713 WeakPolarHBondContact O-CG 3.46Å; R709-L713 PolarHBondContact O-N 3.29Å; A710-L713 PolarHBondContact O-N 3.25Å; L713-Y717 WeakPolarHBondContact O-CB 3.2Å; L713-Y717 PolarHBondContact O-N 2.86Å
714	L	92.2	Very high	81.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-40.6	172.9	-168.5	80.7	0	0	0	112.4	L573 F623 L643 V645 V692 A710 L711 K712 Y718	L573-L714 HydrophobicContact CD2-CB 4.23Å; L573-L714 HydrophobicContact CD2-CD1 4.47Å; F623-L714 HydrophobicContact CD1-CD1 4.45Å; F623-L714 HydrophobicContact CD2-CD1 3.68Å; F623-L714 HydrophobicContact CE1-CD1 4.44Å; F623-L714 HydrophobicContact CE2-CD1 3.67Å; F623-L714 HydrophobicContact CG-CD1 4.08Å; F623-L714 HydrophobicContact CZ-CD1 4.06Å; L643-L714 HydrophobicContact CD1-CB 4.13Å; L643-L714 HydrophobicContact CD1-CD1 4.38Å; L643-L714 HydrophobicContact CD1-CD2 4.22Å; L643-L714 HydrophobicContact CD1-CG 4.48Å; V645-L714 HydrophobicContact CG2-CD1 4.23Å; V645-L714 HydrophobicContact CG2-CD2 3.99Å; V692-L714 HydrophobicContact CG2-CD2 4.11Å; A710-L714 WeakPolarHBondContact O-CB 3.44Å; A710-L714 PolarHBondContact O-N 3.11Å; L711-L714 HydrophobicContact CD2-CD2 4.5Å; K712-L714 VanDerWaalsContact C-N 3.26Å; K712-L714 PolarHBondContact O-N 3.47Å; L714-Y718 HydrophobicContact CD1-CD2 4.39Å; L714-Y718 HydrophobicContact CD1-CE2 3.88Å; L714-Y718 HydrophobicContact CD2-CE2 4.47Å; L714-Y718 HydrophobicContact CG-CD2 4.05Å; L714-Y718 HydrophobicContact CG-CE2 3.95Å; L714-Y718 VanDerWaalsContact O-CD2 3.29Å; L714-Y718 WeakPolarHBondContact O-CD2 3.47Å; L714-Y718 PolarHBondContact O-N 2.84Å
715	Y	91.2	Very high	78.9	Confident	36 Å²	36	48.8 Å²	48.8	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-41.6	176.3	-176.2	-98.1	0	0	0	111.5	L711 K712 Y717 Y718 N719 I833 K874 P875 L876	L711-Y715 WeakPolarHBondContact O-CB 3.25Å; L711-Y715 PolarHBondContact O-N 2.76Å; K712-Y715 CarbonylContact O-C 3.57Å; K712-Y715 WeakPolarHBondContact O-CA 3.46Å; K712-Y715 WeakPolarHBondContact O-CB 3.48Å; K712-Y715 PolarHBondContact O-N 3.39Å; Y715-Y717 VanDerWaalsContact C-N 3.31Å; Y715-Y717 PolarHBondContact O-N 3.38Å; Y715-Y718 PolarHBondContact O-N 2.84Å; Y715-N719 WeakPolarHBondContact CD1-ND2 3.41Å; Y715-N719 VanDerWaalsContact CE1-ND2 3.3Å; Y715-N719 WeakPolarHBondContact CE1-ND2 3.48Å; Y715-N719 VanDerWaalsContact CZ-ND2 3.32Å; Y715-N719 PolarHBondContact O-N 3.42Å; Y715-N719 VanDerWaalsContact O-N 3.16Å; Y715-N719 PolarHBondContact O-ND2 3.32Å; Y715-I833 HydrophobicContact CD2-CD1 4.26Å; Y715-K874 HydrophobicContact CD2-CD 4Å; Y715-K874 VanDerWaalsContact CD2-NZ 3.33Å; Y715-K874 HydrophobicContact CE2-CD 3.72Å; Y715-K874 HydrophobicContact CE2-CG 4.21Å; Y715-K874 VanDerWaalsContact CE2-NZ 3.3Å; Y715-P875 PolarHBondContact OH-O 3.37Å; Y715-L876 HydrophobicContact CD2-CD2 3.85Å; Y715-L876 HydrophobicContact CE2-CD2 3.65Å
716	D	89.7	Confident	76.1	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.144	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-38	178.2	-58.5	-14.1	0	0	0	110.5	K712 N719 Q721	K712-D716 WeakPolarHBondContact CE-OD2 3.44Å; K712-D716 WeakPolarHBondContact CG-OD2 3.48Å; K712-D716 IonicContact NZ-OD2 2.66Å; K712-D716 PolarHBondContact O-N 2.86Å; D716-N719 PolarHBondContact O-N 2.83Å; D716-Q721 PolarHBondContact O-N 2.9Å; D716-Q721 VanDerWaalsContact O-N 3.11Å
717	Y	90.1	Very high	73	Confident	5 Å²	5	61 Å²	61	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-50.9	172.7	176.8	-116.1	0	0	0	113.1	F623 L713 Y715 N719 E720 L822 R825 P826	F623-Y717 HydrophobicContact CE1-CE1 4.3Å; F623-Y717 HydrophobicContact CZ-CE1 4.34Å; L713-Y717 WeakPolarHBondContact O-CB 3.2Å; L713-Y717 PolarHBondContact O-N 2.86Å; Y715-Y717 VanDerWaalsContact C-N 3.31Å; Y715-Y717 PolarHBondContact O-N 3.38Å; Y717-N719 VanDerWaalsContact C-N 3.26Å; Y717-N719 PolarHBondContact O-N 2.87Å; Y717-E720 PolarHBondContact O-N 3.36Å; Y717-L822 HydrophobicContact CD1-CD2 4.36Å; Y717-L822 HydrophobicContact CD2-CB 3.85Å; Y717-L822 HydrophobicContact CD2-CD2 4.08Å; Y717-L822 HydrophobicContact CD2-CG 4.37Å; Y717-L822 HydrophobicContact CE1-CD2 4.49Å; Y717-L822 HydrophobicContact CE2-CB 4.11Å; Y717-L822 HydrophobicContact CE2-CD2 4.22Å; Y717-L822 HydrophobicContact CG-CD2 4.14Å; Y717-R825 WeakPolarHBondContact CE2-O 3.38Å; Y717-R825 WeakPolarHBondContact OH-CD 3.38Å; Y717-R825 PolarHBondContact OH-O 3.14Å; Y717-P826 PolarHBondContact OH-O 2.96Å
718	Y	89.3	Confident	70	Confident	8 Å²	8	64.9 Å²	64.9	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-77.4	-1.4	-178.9	-72.7	-55	0	0	0	115	V690 L714 Y715 E828 L830 I833	V690-Y718 HydrophobicContact CG1-CE2 4.26Å; V690-Y718 HydrophobicContact CG2-CE2 4.3Å; L714-Y718 HydrophobicContact CD1-CD2 4.39Å; L714-Y718 HydrophobicContact CD1-CE2 3.88Å; L714-Y718 HydrophobicContact CD2-CE2 4.47Å; L714-Y718 HydrophobicContact CG-CD2 4.05Å; L714-Y718 HydrophobicContact CG-CE2 3.95Å; L714-Y718 VanDerWaalsContact O-CD2 3.29Å; L714-Y718 WeakPolarHBondContact O-CD2 3.47Å; L714-Y718 PolarHBondContact O-N 2.84Å; Y715-Y718 PolarHBondContact O-N 2.84Å; Y718-E828 HydrophobicContact CE1-CB 4.23Å; Y718-E828 PolarHBondContact OH-OE2 3.07Å; Y718-L830 HydrophobicContact CD1-CD1 3.43Å; Y718-L830 VanDerWaalsContact CD1-CD1 3.43Å; Y718-L830 HydrophobicContact CD2-CD1 4.3Å; Y718-L830 HydrophobicContact CE1-CD1 3.48Å; Y718-L830 VanDerWaalsContact CE1-CD1 3.48Å; Y718-L830 HydrophobicContact CE2-CD1 4.34Å; Y718-L830 HydrophobicContact CG-CD1 3.87Å; Y718-I833 HydrophobicContact CD2-CD1 3.92Å
719	N	84.6	Confident	67	Low	26 Å²	26	71.7 Å²	71.7	14%	0.139	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	9.2	164.6	-68.7	-86.1	0	0	0	112.2	Y715 D716 Y717 Q721 L876 K877	Y715-N719 WeakPolarHBondContact CD1-ND2 3.41Å; Y715-N719 VanDerWaalsContact CE1-ND2 3.3Å; Y715-N719 WeakPolarHBondContact CE1-ND2 3.48Å; Y715-N719 VanDerWaalsContact CZ-ND2 3.32Å; Y715-N719 PolarHBondContact O-N 3.42Å; Y715-N719 VanDerWaalsContact O-N 3.16Å; Y715-N719 PolarHBondContact O-ND2 3.32Å; D716-N719 PolarHBondContact O-N 2.83Å; Y717-N719 VanDerWaalsContact C-N 3.26Å; Y717-N719 PolarHBondContact O-N 2.87Å; N719-Q721 HydrophobicContact CB-CG 3.96Å; N719-Q721 PolarHBondContact O-N 3.13Å; N719-Q721 VanDerWaalsContact O-N 3.11Å; N719-L876 VanDerWaalsContact ND2-CD2 3.28Å; N719-L876 WeakPolarHBondContact ND2-CD2 3.48Å; N719-K877 PolarHBondContact OD1-N 2.79Å
720	E	72.9	Confident	64	Low	91 Å²	91	74.8 Å²	74.8	43%	0.425	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	24.2	-177.5	-51.4	-163.2	138	0	0	114.2	Y717 T722 S827	Y717-E720 PolarHBondContact O-N 3.36Å; E720-T722 PolarHBondContact O-N 3.43Å; E720-S827 WeakPolarHBondContact CG-OG 3.35Å; E720-S827 PolarHBondContact OE1-OG 3.08Å
721	Q	63	Low	60.8	Low	129 Å²	129	83.2 Å²	83.2	60%	0.603	42%	0.422	S	S	*	.			trans	-83.6	4.8	-178.6	-64.3	-171.2	-11.6	0	0	113.6	D716 N719	D716-Q721 PolarHBondContact O-N 2.9Å; D716-Q721 VanDerWaalsContact O-N 3.11Å; N719-Q721 HydrophobicContact CB-CG 3.96Å; N719-Q721 PolarHBondContact O-N 3.13Å; N719-Q721 VanDerWaalsContact O-N 3.11Å
722	T	54.7	Low	57.8	Low	39 Å²	39	92.2 Å²	92.2	24%	0.239	46%	0.463	C	S	.	.	S	Bend	trans	-89.3	98.3	169.3	52.8	0	0	0	0	108.9	E720 I724	E720-T722 PolarHBondContact O-N 3.43Å; T722-I724 PolarHBondContact O-N 2.99Å
723	D	40.3	Very low	54.7	Low	123 Å²	123	91.9 Å²	91.9	66%	0.658	47%	0.471	S	S	*	.			trans	-43.9	125.1	-172.9	-73.3	-53.7	0	0	0	113.7	T725	D723-T725 HydrophobicContact CB-CG2 4.2Å; D723-T725 PolarHBondContact O-N 2.95Å
724	I	36.3	Very low	51.6	Low	147 Å²	147	98.2 Å²	98.2	75%	0.754	51%	0.505	S	S	*	.			trans	-80.6	52.7	170.9	-47.4	178.1	0	0	0	108.8	T722 V726	T722-I724 PolarHBondContact O-N 2.99Å; I724-V726 HydrophobicContact CG2-CG2 4.2Å; I724-V726 PolarHBondContact O-N 3.14Å
725	T	29.6	Very low	48.9	Very low	91 Å²	91	105.3 Å²	105.3	56%	0.558	54%	0.542	S	S	*	.			trans	-75.7	77	164.8	53.4	0	0	0	0	108.7	D723 F727	D723-T725 HydrophobicContact CB-CG2 4.2Å; D723-T725 PolarHBondContact O-N 2.95Å; T725-F727 PolarHBondContact O-N 3.41Å
726	V	29	Very low	45.8	Very low	122 Å²	122	112.4 Å²	112.4	74%	0.739	58%	0.576	S	S	*	*			trans	-63.4	94.3	153.5	177.6	0	0	0	0	105.9	I724 P728	I724-V726 HydrophobicContact CG2-CG2 4.2Å; I724-V726 PolarHBondContact O-N 3.14Å; V726-P728 WeakPolarHBondContact O-CD 3.44Å
727	F	26	Very low	43.1	Very low	164 Å²	164	116.9 Å²	116.9	72%	0.719	60%	0.604	S	S	*	*			trans	-59.4	122	160.2	-74.6	-86	0	0	0	106.5	T725	T725-F727 PolarHBondContact O-N 3.41Å
728	P	28.1	Very low	40.2	Very low	92 Å²	92	124.6 Å²	124.6	60%	0.597	64%	0.641	S	S	*	*			trans	-59.2	143.1	165.7	28	-33.5	0	0	0	107.6	V726 N730	V726-P728 WeakPolarHBondContact O-CD 3.44Å; P728-N730 VanDerWaalsContact C-N 3.3Å; P728-N730 PolarHBondContact O-N 2.87Å
729	E	29.3	Very low	37.3	Very low	199 Å²	199	132.7 Å²	132.7	93%	0.93	68%	0.679	S	S	*	*			trans	-66.8	92.1	178.6	-68.1	-172.3	133.1	0	0	109.6	Q731	E729-Q731 PolarHBondContact O-N 3.41Å
730	N	27.8	Very low	34.7	Very low	121 Å²	121	138.4 Å²	138.4	65%	0.647	71%	0.714	S	S	*	*			trans	-65.8	95.3	177.4	-84.1	-23.5	0	0	0	109.8	P728 H732	P728-N730 VanDerWaalsContact C-N 3.3Å; P728-N730 PolarHBondContact O-N 2.87Å; N730-H732 PolarHBondContact O-N 3.03Å
731	Q	26.5	Very low	32.6	Very low	176 Å²	176	137.3 Å²	137.3	82%	0.822	73%	0.727	S	S	*	*			trans	39.9	62.1	138.5	-59	179.9	1.8	0	0	114.4	E729 T733	E729-Q731 PolarHBondContact O-N 3.41Å; Q731-T733 PolarHBondContact O-N 2.93Å
732	H	30.1	Very low	31.1	Very low	196 Å²	196	142.3 Å²	142.3	91%	0.907	74%	0.741	S	S	*	*			trans	-72.7	90.1	164.9	-101.8	-63.4	0	0	0	109.2	N730	N730-H732 PolarHBondContact O-N 3.03Å
733	T	27.1	Very low	29.9	Very low	110 Å²	110	146.2 Å²	146.2	68%	0.675	77%	0.769	S	S	*	*			trans	-43.2	135.3	177.8	53	0	0	0	0	113.3	Q731 I735	Q731-T733 PolarHBondContact O-N 2.93Å; T733-I735 PolarHBondContact O-N 2.81Å
734	D	26.8	Very low	29.6	Very low	159 Å²	159	143.7 Å²	143.7	85%	0.85	77%	0.773	S	S	*	*			trans	-53.9	119.7	165.7	-64	-69.3	0	0	0	110.7	Q736	D734-Q736 PolarHBondContact O-N 3.3Å
735	I	33.9	Very low	29.2	Very low	151 Å²	151	141.6 Å²	141.6	77%	0.774	77%	0.771	S	S	*	*			trans	-77.6	115.1	167.9	-66.9	178.3	0	0	0	107.4	T733 T737	T733-I735 PolarHBondContact O-N 2.81Å; I735-T737 PolarHBondContact O-N 3.12Å
736	Q	27.8	Very low	29.4	Very low	184 Å²	184	145 Å²	145	86%	0.86	78%	0.784	S	S	*	*			trans	-60.3	128.5	-178.3	-59.9	165.9	6	0	0	111.3	D734	D734-Q736 PolarHBondContact O-N 3.3Å
737	T	31.2	Very low	29.3	Very low	121 Å²	121	148.3 Å²	148.3	74%	0.742	79%	0.792	S	S	*	*			trans	-138.3	88.1	158.3	-49.5	0	0	0	0	110	I735	I735-T737 PolarHBondContact O-N 3.12Å
738	E	30.5	Very low	29.4	Very low	167 Å²	167	144.2 Å²	144.2	78%	0.78	80%	0.796	S	S	*	*			trans	46.7	105.7	145.1	-57.2	-174.1	144.6	0	0	120.4
739	Q	29	Very low	29.4	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	80%	0.803	S	S	*	*				40.5	120.7	128	-53	-177.5	15.5	0	0	120
740	V	29	Very low	29.4	Very low	146 Å²	146	143.9 Å²	143.9	89%	0.885	80%	0.799	S	S	*	*				176.6	137.5	102.7	150.7	0	0	0	0	110.3
741	G	29.2	Very low	29.3	Very low	67 Å²	67	143.2 Å²	143.2	69%	0.691	80%	0.804	S	S	*	*			trans	119.4	93.5	149	0	0	0	0	0	119.6
742	R	32	Very low	29.3	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	80%	0.801	S	S	*	*			trans	64.3	80.8	145.6	-73.2	-178	162.5	154.5	-3.9	121.3
743	S	29	Very low	29.2	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	79%	0.789	S	S	*	*				34.9	130.2	108.5	66.4	0	0	0	0	121.5
744	G	32.9	Very low	29.2	Very low	71 Å²	71	141.2 Å²	141.2	73%	0.732	80%	0.795	S	S	*	*			trans	137	103.9	148.7	0	0	0	0	0	116.1
745	S	29.3	Very low	29.3	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	79%	0.793	S	S	*	*			cis	154.4	154.1	-17.6	53.1	0	0	0	0	107.4
746	I	32.1	Very low	29.1	Very low	163 Å²	163	137.5 Å²	137.5	84%	0.836	79%	0.79	S	S	*	*			trans	90.4	141.2	168.3	-55.4	172.4	0	0	0	116.1
747	E	27.2	Very low	29.2	Very low	191 Å²	191	136.1 Å²	136.1	89%	0.893	79%	0.788	S	S	*	*			trans	-97.9	159.5	-166.8	-56.2	148.1	129	0	0	112
748	G	29.3	Very low	29.2	Very low	78 Å²	78	140.1 Å²	140.1	80%	0.804	80%	0.795	S	S	*	*			trans	-160.2	115.9	-179.5	0	0	0	0	0	114.1
749	A	28.3	Very low	29.1	Very low	92 Å²	92	137.3 Å²	137.3	76%	0.76	79%	0.794	S	S	*	*			trans	-73.2	148.4	-168.9	0	0	0	0	0	116.4
750	K	28.2	Very low	29.2	Very low	192 Å²	192	137.3 Å²	137.3	84%	0.835	80%	0.798	S	S	*	*			trans	52.5	102.6	140.7	-65	175.9	-178.2	179	0	120.2
751	S	26.1	Very low	29.2	Very low	107 Å²	107	139 Å²	139	75%	0.748	79%	0.794	S	S	*	*				81	154.3	120.9	76.2	0	0	0	0	122.2
752	L	27.4	Very low	29.1	Very low	148 Å²	148	141.9 Å²	141.9	78%	0.775	80%	0.801	S	S	*	*			trans	82.4	137.7	172.1	-90.1	76.6	0	0	0	120.4
753	N	26.2	Very low	28.8	Very low	121 Å²	121	140.1 Å²	140.1	65%	0.647	80%	0.799	S	S	*	*			trans	74.8	88.3	151.4	-61.4	-6.3	0	0	0	121.5
754	Q	28.5	Very low	28.9	Very low	171 Å²	171	140 Å²	140	80%	0.799	80%	0.796	S	S	*	*				44.8	113	117.5	-59.9	178.2	17.5	0	0	119.2
755	T	28.7	Very low	28.6	Very low	131 Å²	131	141 Å²	141	80%	0.804	79%	0.791	S	S	*	*				-174.6	131.5	111.6	19.3	0	0	0	0	112.3
756	S	29.7	Very low	28.4	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	79%	0.792	S	S	*	*			trans	57.4	143.8	156.9	62.7	0	0	0	0	120.6
757	N	29.1	Very low	28.3	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	79%	0.788	S	S	*	*			cis	-159.4	163.3	-11.6	-113.9	-28.1	0	0	0	111.9
758	K	31.9	Very low	28.2	Very low	206 Å²	206	138.4 Å²	138.4	90%	0.896	78%	0.781	S	S	*	*			trans	62.3	85.9	171.8	-69.3	-174	175.2	-179.7	0	117.3
759	S	27.7	Very low	28.2	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	78%	0.782	S	S	*	*			trans	-86.7	153.5	158.9	58.4	0	0	0	0	111.8
760	L	31.4	Very low	28	Very low	179 Å²	179	146.4 Å²	146.4	94%	0.937	78%	0.784	S	S	*	*			trans	-142.9	109.4	162	-105.4	160.1	0	0	0	108.8
761	K	28.4	Very low	28	Very low	182 Å²	182	143 Å²	143	79%	0.791	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-94.6	147.2	175.9	-61.6	179.9	-179.8	-178.6	0	110
762	P	27.4	Very low	28.3	Very low	128 Å²	128	144.4 Å²	144.4	83%	0.831	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-66	133.7	158.7	29.9	-32.3	0	0	0	109.4
763	K	27.2	Very low	28.4	Very low	197 Å²	197	144.6 Å²	144.6	86%	0.857	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-94.3	138.2	174.9	-90.7	-170.4	171.9	-172.4	0	111
764	P	29.2	Very low	28.8	Very low	118 Å²	118	146.4 Å²	146.4	77%	0.766	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-90	149.4	158.1	35.9	-31.8	0	0	0	111.9
765	S	27.7	Very low	28.9	Very low	92 Å²	92	147.8 Å²	147.8	64%	0.643	80%	0.799	S	S	*	*			trans	-176.7	125.8	168.3	48	0	0	0	0	105.6
766	T	25.7	Very low	29.1	Very low	119 Å²	119	145.4 Å²	145.4	73%	0.73	80%	0.801	S	S	*	*			cis	58.7	89	25.7	-39	0	0	0	0	111.9
767	L	28.7	Very low	29	Very low	142 Å²	142	147 Å²	147	74%	0.743	80%	0.801	S	S	*	*			trans	-138.9	103.5	162.4	-85.1	173.2	0	0	0	106.7	F769	L767-F769 HydrophobicContact CB-CE2 4.35Å
768	D	25.6	Very low	29.2	Very low	142 Å²	142	148.8 Å²	148.8	76%	0.759	80%	0.798	S	S	*	*			trans	-73.6	145.8	168.2	-53.9	-72.3	0	0	0	109.4
769	F	29	Very low	29.1	Very low	186 Å²	186	145.7 Å²	145.7	82%	0.816	79%	0.791	S	S	*	*			trans	-136	86.5	170.7	-88.1	-80.3	0	0	0	109.6	L767	L767-F769 HydrophobicContact CB-CE2 4.35Å
770	N	25.2	Very low	29.3	Very low	151 Å²	151	148 Å²	148	81%	0.807	80%	0.796	S	S	*	*			trans	-88.3	140	153.3	-72.8	-6.1	0	0	0	108.1
771	C	27.5	Very low	29.4	Very low	120 Å²	120	148.7 Å²	148.7	81%	0.811	79%	0.794	S	S	*	*			trans	178.2	98.2	143.4	-97.4	0	0	0	0	108.6
772	D	31.5	Very low	29.4	Very low	138 Å²	138	146.9 Å²	146.9	74%	0.738	79%	0.793	S	S	*	*				32.4	126.1	125.3	-46.3	-28.8	0	0	0	120.1
773	L	30.1	Very low	29.5	Very low	152 Å²	152	148 Å²	148	80%	0.796	79%	0.792	S	S	*	*			trans	44.7	121.3	130.9	-52.2	173.2	0	0	0	118
774	D	34	Very low	29.6	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	79%	0.79	S	S	*	*				-161.6	173.3	74.3	-96.7	-30.8	0	0	0	113.6
775	E	31	Very low	29.5	Very low	200 Å²	200	146 Å²	146	94%	0.935	79%	0.793	S	S	*	*			trans	-80.9	146.7	180	-58.9	-172.1	136.9	0	0	114
776	G	32.7	Very low	29.6	Very low	81 Å²	81	146 Å²	146	84%	0.835	80%	0.799	S	S	*	*			trans	-167.8	117.7	173.4	0	0	0	0	0	112.8
777	N	28.8	Very low	29.7	Very low	134 Å²	134	145.9 Å²	145.9	72%	0.717	80%	0.803	S	S	*	*			trans	-93.1	162.9	-176.9	-152	26	0	0	0	112.2
778	Y	32.6	Very low	29.8	Very low	191 Å²	191	147.5 Å²	147.5	75%	0.749	81%	0.811	S	S	*	*			trans	119.7	108	153.8	-65.6	-65.7	0	0	0	119
779	D	30.4	Very low	29.9	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	82%	0.819	S	S	*	*				54.1	150	125.6	-56.2	-2	0	0	0	123.2
780	D	31.8	Very low	29.9	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	81%	0.811	S	S	*	*			trans	-69.1	133.3	-175.1	-56.1	-77.8	0	0	0	114.5
781	Q	33.6	Very low	30	Very low	192 Å²	192	145.7 Å²	145.7	90%	0.897	81%	0.811	S	S	*	*			trans	-157.7	159.6	145.6	-124	150.2	72.5	0	0	113.7
782	D	28.5	Very low	30	Very low	144 Å²	144	147.8 Å²	147.8	77%	0.77	81%	0.814	S	S	*	*			trans	-80.7	165.1	-161	-53.9	-79.9	0	0	0	116.4
783	D	29.4	Very low	29.8	Very low	152 Å²	152	147.2 Å²	147.2	81%	0.813	82%	0.816	S	S	*	*			trans	44.3	104.5	150.1	-67.1	-22.2	0	0	0	120.5
784	S	29.1	Very low	29.8	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	82%	0.82	S	S	*	*				-174.6	143.6	120.8	32.3	0	0	0	0	116
785	D	27.3	Very low	29.7	Very low	156 Å²	156	152.2 Å²	152.2	83%	0.834	83%	0.825	S	S	*	*			trans	31.9	110	147.9	-61.8	-20.3	0	0	0	123.2
786	A	28.2	Very low	29.6	Very low	94 Å²	94	147.4 Å²	147.4	78%	0.777	81%	0.814	S	S	*	*				40.2	110.8	123.4	0	0	0	0	0	121.1
787	S	28.4	Very low	29.5	Very low	115 Å²	115	152 Å²	152	80%	0.804	81%	0.813	S	S	*	*				178.1	69.7	127.7	42.8	0	0	0	0	115.4
788	L	30.4	Very low	30	Very low	176 Å²	176	153 Å²	153	92%	0.921	82%	0.819	S	S	*	*			trans	-136	61.2	167.2	-77.2	-179.6	0	0	0	113.3	S790	L788-S790 PolarHBondContact O-N 2.94Å
789	E	27.5	Very low	30.4	Very low	197 Å²	197	154.2 Å²	154.2	92%	0.921	83%	0.828	S	S	*	*			trans	-85.9	100.2	165.6	-71	-161.9	144.4	0	0	111.5
790	S	29	Very low	31.5	Very low	93 Å²	93	149.1 Å²	149.1	65%	0.65	80%	0.803	S	S	*	*			trans	-163.5	154.7	153.7	40	0	0	0	0	112	L788	L788-S790 PolarHBondContact O-N 2.94Å
791	N	27.7	Very low	33	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	79%	0.793	S	S	*	*	S	Bend	trans	90.5	-4.1	175.8	-55	-36.5	0	0	0	120.3	T793	N791-T793 VanDerWaalsContact C-N 3.27Å; N791-T793 PolarHBondContact O-N 3.09Å
792	N	27.9	Very low	34.7	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	76%	0.757	S	S	*	*			trans	-85.7	18.3	173.5	-83.4	-29.4	0	0	0	115	R794	N792-R794 VanDerWaalsContact C-N 3.34Å; N792-R794 PolarHBondContact O-N 2.88Å
793	T	26.9	Very low	36.6	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	58.9	-165.6	-23.6	0	0	0	0	114.6	N791	N791-T793 VanDerWaalsContact C-N 3.27Å; N791-T793 PolarHBondContact O-N 3.09Å
794	R	30.8	Very low	38.3	Very low	235 Å²	235	134.4 Å²	134.4	89%	0.887	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.4	6	170.3	-114.7	170.4	-152.7	-170	6.4	117.4	N792	N792-R794 VanDerWaalsContact C-N 3.34Å; N792-R794 PolarHBondContact O-N 2.88Å
795	L	32.3	Very low	40.2	Very low	181 Å²	181	129.4 Å²	129.4	95%	0.948	70%	0.697	S	S	*	*			trans	-119.3	60.9	176.4	-71.6	174.7	0	0	0	112.1
796	S	28	Very low	42.1	Very low	99 Å²	99	128 Å²	128	69%	0.692	69%	0.689	S	S	*	*			trans	-131.6	140.3	164.4	56.1	0	0	0	0	106.9
797	E	31.9	Very low	44.1	Very low	176 Å²	176	125.4 Å²	125.4	82%	0.822	66%	0.661	S	S	*	*			cis	-139	131	23.2	-59.6	163	149.7	0	0	111.1
798	N	38.5	Very low	46.1	Very low	157 Å²	157	127.9 Å²	127.9	84%	0.84	66%	0.657	S	S	*	*			trans	-167.2	98.5	159.1	-104.5	-46.7	0	0	0	110.3	S800	N798-S800 VanDerWaalsContact C-N 3.26Å; N798-S800 PolarHBondContact O-N 3.49Å; N798-S800 VanDerWaalsContact O-N 3.07Å
799	K	41.8	Very low	48.1	Very low	215 Å²	215	125.9 Å²	125.9	94%	0.935	64%	0.638	S	S	*	*			trans	-83.5	66.5	174.3	-70	-175.2	178.5	178.9	0	110.5
800	S	53.1	Low	50.4	Low	35 Å²	35	122.3 Å²	122.3	25%	0.245	62%	0.616	C	S	.	*			trans	-79.1	126.6	173.6	49.7	0	0	0	0	111.1	N798	N798-S800 VanDerWaalsContact C-N 3.26Å; N798-S800 PolarHBondContact O-N 3.49Å; N798-S800 VanDerWaalsContact O-N 3.07Å
801	N	63.7	Low	52.4	Low	115 Å²	115	124.9 Å²	124.9	62%	0.615	62%	0.617	S	S	*	*			trans	-79.4	152.5	171	-66.7	-32.1	0	0	0	110	L803 T804 E805	N801-L803 PolarHBondContact O-N 2.8Å; N801-T804 PolarHBondContact N-OG1 3.27Å; N801-T804 PolarHBondContact O-N 2.98Å; N801-T804 PolarHBondContact O-OG1 3.01Å; N801-E805 PolarHBondContact O-N 3.18Å; N801-E805 VanDerWaalsContact O-N 3.16Å
802	L	69.2	Low	54.4	Low	29 Å²	29	122.7 Å²	122.7	15%	0.152	61%	0.611	C	S	.	*	T	Hydrogen-bonded Turn	trans	-44.2	-36	174.8	-66.8	175	0	0	0	114.6	V30 M153 L156 L206	V30-L802 HydrophobicContact CG1-CD1 4.15Å; M153-L802 WeakPolarHBondContact O-CD1 3.33Å; L156-L802 HydrophobicContact CD2-CD2 4.45Å; L156-L802 HydrophobicContact CG-CD2 4.19Å; L206-L802 HydrophobicContact CD2-CB 4.35Å
803	L	67.9	Low	56.4	Low	98 Å²	98	119.7 Å²	119.7	51%	0.513	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-14.2	-177	-61.5	174.5	0	0	0	114.2	N204 L206 P207 N801	N204-L803 HydrophobicContact CB-CD2 4.08Å; L206-L803 HydrophobicContact CD2-CD2 3.81Å; P207-L803 VanDerWaalsContact CG-O 3.24Å; P207-L803 WeakPolarHBondContact CG-O 3.29Å; N801-L803 PolarHBondContact O-N 2.8Å
804	T	64	Low	58.8	Low	94 Å²	94	117.8 Å²	117.8	58%	0.577	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	-4.2	-179.6	58.3	0	0	0	0	113.8	N801 I806	N801-T804 PolarHBondContact N-OG1 3.27Å; N801-T804 PolarHBondContact O-N 2.98Å; N801-T804 PolarHBondContact O-OG1 3.01Å; T804-I806 PolarHBondContact O-N 2.76Å
805	E	69	Low	61.2	Low	10 Å²	10	108.2 Å²	108.2	5%	0.047	57%	0.568	C	S	.	*			trans	-73.4	125	-177.9	-166.2	-179.3	162.3	0	0	112.3	S155 L156 Q157 N801	S155-E805 WeakPolarHBondContact CA-OE2 3.29Å; S155-E805 WeakPolarHBondContact CB-OE2 3.24Å; S155-E805 PolarHBondContact OG-OE1 3.22Å; S155-E805 PolarHBondContact OG-OE2 3.2Å; L156-E805 PolarHBondContact N-OE2 3.24Å; Q157-E805 WeakPolarHBondContact CG-OE1 3.32Å; Q157-E805 PolarHBondContact N-OE1 3.49Å; Q157-E805 PolarHBondContact NE2-OE1 2.74Å; N801-E805 PolarHBondContact O-N 3.18Å; N801-E805 VanDerWaalsContact O-N 3.16Å
806	I	67.5	Low	63.8	Low	127 Å²	127	102.3 Å²	102.3	65%	0.651	54%	0.54	S	S	*	.			trans	-113.8	98.2	174.7	-56.2	177.1	0	0	0	108.9	T804 K808	T804-I806 PolarHBondContact O-N 2.76Å; I806-K808 HydrophobicContact CG2-CG 4.25Å; I806-K808 PolarHBondContact O-N 2.75Å
807	I	71.2	Confident	66.6	Low	40 Å²	40	101.6 Å²	101.6	21%	0.205	53%	0.533	C	S	.	.			trans	-68.8	115.9	175	-48.1	-174.8	0	0	0	109.1	L156 L187 L188 L208	L156-I807 HydrophobicContact CB-CD1 3.78Å; L156-I807 HydrophobicContact CD1-CD1 4.11Å; L187-I807 HydrophobicContact CD1-CD1 4.27Å; L187-I807 HydrophobicContact CD2-CD1 3.56Å; L187-I807 HydrophobicContact CG-CD1 3.86Å; L188-I807 HydrophobicContact CD2-CG2 3.9Å; L208-I807 HydrophobicContact CD1-CB 4.04Å; L208-I807 HydrophobicContact CD1-CD1 3.84Å; L208-I807 HydrophobicContact CD1-CG1 4.01Å
808	K	69.3	Low	69.2	Low	166 Å²	166	95 Å²	95	72%	0.722	50%	0.504	S	S	*	.			trans	-108.7	155.6	172	-64.9	-179.7	-177	175.2	0	109.3	I806	I806-K808 HydrophobicContact CG2-CG 4.25Å; I806-K808 PolarHBondContact O-N 2.75Å
809	R	72.7	Confident	71.6	Confident	135 Å²	135	89 Å²	89	51%	0.509	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-61.7	147.7	164.9	-66	177.5	175	127.1	-0.3	109.3	L188 Y584	L188-R809 HydrophobicContact CD2-CG 4.48Å; Y584-R809 PolarHBondContact O-NE 3.39Å; Y584-R809 PolarHBondContact O-NH2 2.82Å
810	R	76.1	Confident	73.7	Confident	121 Å²	121	79.7 Å²	79.7	46%	0.457	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-58.4	142.5	170.1	-57.1	-178.6	-172.7	-154.9	6.5	109.9	E184 L815	E184-R810 IonicContact OE1-CZ 2.79Å; E184-R810 IonicContact OE1-NE 3.32Å; E184-R810 PolarHBondContact OE1-NE 3.17Å; E184-R810 IonicContact OE1-NH2 2.73Å; E184-R810 PolarHBondContact OE1-NH2 3.48Å; E184-R810 IonicContact OE2-CZ 3.5Å; E184-R810 IonicContact OE2-NE 3.42Å; E184-R810 IonicContact OE2-NH2 3.52Å; E184-R810 PolarHBondContact OE2-NH2 3.17Å; R810-L815 HydrophobicContact CB-CD1 4.3Å; R810-L815 HydrophobicContact CB-CD2 4.14Å; R810-L815 HydrophobicContact CB-CG 4.27Å
811	E	71.2	Confident	75.3	Confident	147 Å²	147	85 Å²	85	69%	0.687	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-72.9	141.6	-179	-62	-168.7	164	0	0	111.3	A813 S814	E811-A813 PolarHBondContact O-N 2.73Å; E811-S814 PolarHBondContact O-N 2.65Å; E811-S814 PolarHBondContact O-OG 3.46Å
812	P	68.6	Low	76.2	Confident	105 Å²	105	80.1 Å²	80.1	68%	0.682	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-56.9	-26.4	-176.8	-27.9	35.9	0	0	0	114.9	L815	P812-L815 PolarHBondContact O-N 3.38Å
813	A	70.7	Confident	76.8	Confident	102 Å²	102	84.1 Å²	84.1	84%	0.843	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-76.3	-17.5	178.6	0	0	0	0	0	114.3	E811	E811-A813 PolarHBondContact O-N 2.73Å
814	S	77.4	Confident	77.5	Confident	86 Å²	86	84.8 Å²	84.8	60%	0.601	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-91.9	-1.1	174.1	68.8	0	0	0	0	113.2	E811	E811-S814 PolarHBondContact O-N 2.65Å; E811-S814 PolarHBondContact O-OG 3.46Å
815	L	81.1	Confident	78.4	Confident	34 Å²	34	82.4 Å²	82.4	18%	0.178	42%	0.424	C	S	.	.	S	Bend	trans	-106.5	135.7	-175.4	-70.5	179.7	0	0	0	110.6	T580 R810 P812	T580-L815 HydrophobicContact CG2-CB 3.7Å; T580-L815 HydrophobicContact CG2-CD1 4.44Å; T580-L815 HydrophobicContact CG2-CD2 4.23Å; T580-L815 HydrophobicContact CG2-CG 4.34Å; R810-L815 HydrophobicContact CB-CD1 4.3Å; R810-L815 HydrophobicContact CB-CD2 4.14Å; R810-L815 HydrophobicContact CB-CG 4.27Å; P812-L815 PolarHBondContact O-N 3.38Å
816	P	86	Confident	79	Confident	57 Å²	57	87.3 Å²	87.3	37%	0.37	46%	0.457	S	S	.	.			trans	-66	166.5	173.6	25.8	-31.7	0	0	0	111.7	N577 T580	N577-P816 WeakPolarHBondContact ND2-CG 3.36Å; T580-P816 HydrophobicContact CG2-CG 4.02Å; T580-P816 WeakPolarHBondContact CG2-O 3.23Å
817	P	87.3	Confident	79.8	Confident	85 Å²	85	82.3 Å²	82.3	55%	0.552	43%	0.433	S	S	*	.			trans	-59.2	143.4	173.3	25.5	-34.6	0	0	0	111.7	N577 L819	N577-P817 WeakPolarHBondContact CB-O 3.23Å; P817-L819 VanDerWaalsContact C-N 3.33Å
818	L	87.6	Confident	80.4	Confident	38 Å²	38	82.5 Å²	82.5	20%	0.199	43%	0.433	C	S	.	.	S	Bend	trans	-64	-39.6	176	177.9	67.3	0	0	0	112.1	V576 N577 T580 L581 T588 F591	V576-L818 WeakPolarHBondContact CA-O 3.34Å; V576-L818 HydrophobicContact CG1-CD1 4.04Å; N577-L818 PolarHBondContact N-O 2.94Å; T580-L818 WeakPolarHBondContact OG1-CA 3.31Å; L581-L818 HydrophobicContact CB-CD1 4.06Å; L581-L818 HydrophobicContact CD1-CD1 4.3Å; T588-L818 HydrophobicContact CG2-CD1 4.34Å; T588-L818 HydrophobicContact CG2-CD2 4.31Å; F591-L818 HydrophobicContact CB-CD2 4.49Å; F591-L818 HydrophobicContact CD1-CD2 4.22Å; F591-L818 HydrophobicContact CG-CD2 4.23Å
819	L	88	Confident	81.2	Confident	31 Å²	31	81.1 Å²	81.1	16%	0.162	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.6	179.2	-59.5	172.7	0	0	0	107.7	Y574 V576 F591 L626 P637 P817	Y574-L819 HydrophobicContact CD1-CB 4.31Å; V576-L819 HydrophobicContact CG2-CD2 4.08Å; F591-L819 HydrophobicContact CE2-CD2 4.47Å; F591-L819 HydrophobicContact CZ-CD2 4Å; L626-L819 HydrophobicContact CD1-CD1 3.61Å; L626-L819 HydrophobicContact CD1-CD2 4.35Å; P637-L819 HydrophobicContact CG-CD1 4.26Å; P817-L819 VanDerWaalsContact C-N 3.33Å
820	S	86.8	Confident	81.9	Confident	19 Å²	19	74.9 Å²	74.9	13%	0.133	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.3	166.2	68.4	0	0	0	0	109.8	Y575 E824	Y575-S820 PolarHBondContact N-O 3.14Å; Y575-S820 PolarHBondContact O-N 3.05Å; S820-E824 VanDerWaalsContact CA-OE2 3.3Å; S820-E824 WeakPolarHBondContact CA-OE2 3.23Å; S820-E824 WeakPolarHBondContact CB-OE2 3.13Å
821	R	85.4	Confident	82.5	Confident	146 Å²	146	72.3 Å²	72.3	55%	0.551	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	154.6	172.3	-59	177.7	176.9	171.9	-3.8	109.4	Y574 N823 E824	Y574-R821 HydrophobicContact CD1-CG 4.38Å; Y574-R821 HydrophobicContact CE1-CG 4.07Å; R821-N823 VanDerWaalsContact C-N 3.29Å; R821-N823 PolarHBondContact O-N 3.13Å; R821-E824 HydrophobicContact CB-CG 4.05Å; R821-E824 WeakPolarHBondContact CB-OE1 3.43Å; R821-E824 VanDerWaalsContact CD-OE1 3.23Å; R821-E824 WeakPolarHBondContact CD-OE1 3.25Å; R821-E824 VanDerWaalsContact CG-OE1 3.24Å; R821-E824 WeakPolarHBondContact CG-OE1 3.49Å; R821-E824 PolarHBondContact N-OE2 3.33Å; R821-E824 IonicContact NE-OE1 3.62Å; R821-E824 WeakPolarHBondContact O-CB 3.39Å; R821-E824 PolarHBondContact O-N 3.19Å; R821-E824 VanDerWaalsContact O-N 3.15Å
822	L	83.9	Confident	83.5	Confident	12 Å²	12	65.3 Å²	65.3	6%	0.063	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-61.1	-40.7	177.3	-66.4	172.7	0	0	0	111.6	L573 F623 Y717 E824 R825	L573-L822 HydrophobicContact CB-CD1 4.04Å; L573-L822 HydrophobicContact CD2-CD1 4.17Å; L573-L822 HydrophobicContact CG-CD1 4.29Å; L573-L822 WeakPolarHBondContact O-CG 3.36Å; F623-L822 HydrophobicContact CD1-CD2 3.82Å; F623-L822 HydrophobicContact CE1-CD2 3.75Å; Y717-L822 HydrophobicContact CD1-CD2 4.36Å; Y717-L822 HydrophobicContact CD2-CB 3.85Å; Y717-L822 HydrophobicContact CD2-CD2 4.08Å; Y717-L822 HydrophobicContact CD2-CG 4.37Å; Y717-L822 HydrophobicContact CE1-CD2 4.49Å; Y717-L822 HydrophobicContact CE2-CB 4.11Å; Y717-L822 HydrophobicContact CE2-CD2 4.22Å; Y717-L822 HydrophobicContact CG-CD2 4.14Å; L822-E824 PolarHBondContact O-N 3.28Å; L822-E824 VanDerWaalsContact O-N 3.09Å; L822-R825 PolarHBondContact O-N 2.89Å; L822-R825 VanDerWaalsContact O-N 3.11Å; L822-R825 VanDerWaalsContact O-O 3.1Å
823	N	81.3	Confident	84.7	Confident	113 Å²	113	60.3 Å²	60.3	60%	0.604	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.5	-16.1	177.3	-53.3	59.5	0	0	0	114.2	R821	R821-N823 VanDerWaalsContact C-N 3.29Å; R821-N823 PolarHBondContact O-N 3.13Å
824	E	83.2	Confident	85.8	Confident	113 Å²	113	55.4 Å²	55.4	53%	0.528	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-88	-12.8	179.4	-66	158	-167.3	0	0	112.6	S820 R821 L822	S820-E824 VanDerWaalsContact CA-OE2 3.3Å; S820-E824 WeakPolarHBondContact CA-OE2 3.23Å; S820-E824 WeakPolarHBondContact CB-OE2 3.13Å; R821-E824 HydrophobicContact CB-CG 4.05Å; R821-E824 WeakPolarHBondContact CB-OE1 3.43Å; R821-E824 VanDerWaalsContact CD-OE1 3.23Å; R821-E824 WeakPolarHBondContact CD-OE1 3.25Å; R821-E824 VanDerWaalsContact CG-OE1 3.24Å; R821-E824 WeakPolarHBondContact CG-OE1 3.49Å; R821-E824 PolarHBondContact N-OE2 3.33Å; R821-E824 IonicContact NE-OE1 3.62Å; R821-E824 WeakPolarHBondContact O-CB 3.39Å; R821-E824 PolarHBondContact O-N 3.19Å; R821-E824 VanDerWaalsContact O-N 3.15Å; L822-E824 PolarHBondContact O-N 3.28Å; L822-E824 VanDerWaalsContact O-N 3.09Å
825	R	81.6	Confident	86.6	Confident	43 Å²	43	51.5 Å²	51.5	16%	0.162	27%	0.266	C	S	.	.	S	Bend	trans	-121.6	119.2	-176.9	-178.6	-167.1	167	171.9	1.7	110.5	H621 Y717 L822 E828	H621-R825 PolarHBondContact CE1-NH2 3.1Å; H621-R825 PolarHBondContact ND1-NH1 3.02Å; H621-R825 PolarHBondContact NE2-NH2 3.36Å; Y717-R825 WeakPolarHBondContact CE2-O 3.38Å; Y717-R825 WeakPolarHBondContact OH-CD 3.38Å; Y717-R825 PolarHBondContact OH-O 3.14Å; L822-R825 PolarHBondContact O-N 2.89Å; L822-R825 VanDerWaalsContact O-N 3.11Å; L822-R825 VanDerWaalsContact O-O 3.1Å; R825-E828 IonicContact CZ-OE1 3.72Å; R825-E828 IonicContact NE-OE1 3.98Å; R825-E828 VanDerWaalsContact NH2-CD 3.3Å; R825-E828 IonicContact NH2-OE1 3.47Å; R825-E828 PolarHBondContact NH2-OE1 2.92Å; R825-E828 IonicContact NH2-OE2 3.63Å; R825-E828 PolarHBondContact NH2-OE2 3.2Å
826	P	83.3	Confident	87.2	Confident	113 Å²	113	51.6 Å²	51.6	73%	0.734	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-58.6	145.8	173.7	27.3	-35.1	0	0	0	111.1	Y717	Y717-P826 PolarHBondContact OH-O 2.96Å
827	S	83.1	Confident	87.5	Confident	22 Å²	22	50.1 Å²	50.1	15%	0.154	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-74.8	154.9	-177.4	92.4	0	0	0	0	112	E720	E720-S827 WeakPolarHBondContact CG-OG 3.35Å; E720-S827 PolarHBondContact OE1-OG 3.08Å
828	E	85	Confident	87.5	Confident	44 Å²	44	47.2 Å²	47.2	21%	0.206	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-76.2	132.2	162.3	-72.5	77	-128.9	0	0	109.9	L647 Y718 R825 L830	L647-E828 HydrophobicContact CD1-CG 4.18Å; L647-E828 HydrophobicContact CD2-CB 4.38Å; L647-E828 HydrophobicContact CD2-CG 4Å; Y718-E828 HydrophobicContact CE1-CB 4.23Å; Y718-E828 PolarHBondContact OH-OE2 3.07Å; R825-E828 IonicContact CZ-OE1 3.72Å; R825-E828 IonicContact NE-OE1 3.98Å; R825-E828 VanDerWaalsContact NH2-CD 3.3Å; R825-E828 IonicContact NH2-OE1 3.47Å; R825-E828 PolarHBondContact NH2-OE1 2.92Å; R825-E828 IonicContact NH2-OE2 3.63Å; R825-E828 PolarHBondContact NH2-OE2 3.2Å; E828-L830 HydrophobicContact CB-CD1 4.15Å; E828-L830 HydrophobicContact CB-CD2 4.41Å; E828-L830 HydrophobicContact CB-CG 4.02Å; E828-L830 WeakPolarHBondContact O-CG 3.45Å; E828-L830 PolarHBondContact O-N 3.15Å
829	K	84.2	Confident	87.4	Confident	137 Å²	137	45.8 Å²	45.8	60%	0.596	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-69.5	120.3	168.7	-63.6	-170.5	177.7	-172.8	0	110.3	S688	S688-K829 PolarHBondContact OG-O 2.97Å
830	L	87.9	Confident	87.3	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	24%	0.238	C	C	.	.			trans	-142.8	147.6	-169.7	-64.9	166.7	0	0	0	110.5	L647 S688 V690 Y718 E828 L876	L647-L830 HydrophobicContact CD2-CD2 4.38Å; S688-L830 WeakPolarHBondContact O-CA 3.49Å; S688-L830 WeakPolarHBondContact OG-CD2 3.46Å; V690-L830 HydrophobicContact CB-CD1 3.89Å; V690-L830 HydrophobicContact CG2-CD1 3.39Å; V690-L830 HydrophobicContact CG2-CD2 4.02Å; V690-L830 HydrophobicContact CG2-CG 4.37Å; Y718-L830 HydrophobicContact CD1-CD1 3.43Å; Y718-L830 VanDerWaalsContact CD1-CD1 3.43Å; Y718-L830 HydrophobicContact CD2-CD1 4.3Å; Y718-L830 HydrophobicContact CE1-CD1 3.48Å; Y718-L830 VanDerWaalsContact CE1-CD1 3.48Å; Y718-L830 HydrophobicContact CE2-CD1 4.34Å; Y718-L830 HydrophobicContact CG-CD1 3.87Å; E828-L830 HydrophobicContact CB-CD1 4.15Å; E828-L830 HydrophobicContact CB-CD2 4.41Å; E828-L830 HydrophobicContact CB-CG 4.02Å; E828-L830 WeakPolarHBondContact O-CG 3.45Å; E828-L830 PolarHBondContact O-N 3.15Å; L830-L876 HydrophobicContact CB-CD1 3.5Å; L830-L876 WeakPolarHBondContact O-CD1 3.43Å
831	D	88.9	Confident	87.2	Confident	66 Å²	66	45.5 Å²	45.5	35%	0.353	24%	0.236	S	C	.	.	S	Bend	trans	-99.2	-32	-176.4	-49.2	-56.4	0	0	0	111.6	L687 S688 L876	L687-D831 HydrophobicContact CD2-CB 4.43Å; S688-D831 WeakPolarHBondContact CB-OD2 3.43Å; S688-D831 PolarHBondContact N-OD2 3.3Å; S688-D831 PolarHBondContact O-N 3.01Å; D831-L876 PolarHBondContact O-N 3.43Å
832	Y	91.7	Very high	87.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153	-178.7	68.9	-90.2	0	0	0	114.1	I671 F684 L687 G689 V690 V873 K874	I671-Y832 HydrophobicContact CG2-CE2 4.01Å; F684-Y832 HydrophobicContact CE1-CE1 4.03Å; F684-Y832 HydrophobicContact CE1-CE2 4.45Å; F684-Y832 AromaticContact CE1-CZ 3.73Å; F684-Y832 WeakPolarHBondContact CE1-OH 3.27Å; F684-Y832 HydrophobicContact CE2-CD1 4.24Å; F684-Y832 AromaticContact CE2-CE1 3.99Å; F684-Y832 HydrophobicContact CE2-CE1 3.99Å; F684-Y832 AromaticContact CZ-CD1 4Å; F684-Y832 HydrophobicContact CZ-CD1 4Å; F684-Y832 HydrophobicContact CZ-CD2 4.39Å; F684-Y832 AromaticContact CZ-CE1 3.43Å; F684-Y832 HydrophobicContact CZ-CE1 3.43Å; F684-Y832 VanDerWaalsContact CZ-CE1 3.43Å; F684-Y832 AromaticContact CZ-CE2 3.88Å; F684-Y832 HydrophobicContact CZ-CE2 3.88Å; F684-Y832 HydrophobicContact CZ-CG 4.45Å; F684-Y832 AromaticContact CZ-CZ 3.35Å; L687-Y832 HydrophobicContact CB-CD1 4.3Å; L687-Y832 HydrophobicContact CB-CE1 3.91Å; G689-Y832 VanDerWaalsContact CA-CZ 3.41Å; V690-Y832 PolarHBondContact N-O 3.43Å; Y832-V873 HydrophobicContact CD2-CG1 3.89Å; Y832-V873 HydrophobicContact CG-CG1 4.13Å; Y832-K874 WeakPolarHBondContact CA-O 3.31Å
833	I	93.8	Very high	87.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.9	165.3	-60.6	-174.2	0	0	0	108.6	V690 V692 Y715 Y718 Y852 K874 L876	V690-I833 HydrophobicContact CB-CG1 4.39Å; V690-I833 HydrophobicContact CG1-CG1 4.13Å; V690-I833 HydrophobicContact CG1-CG2 4.1Å; V690-I833 CarbonylContact O-C 3.58Å; V690-I833 WeakPolarHBondContact O-CA 3.36Å; V692-I833 HydrophobicContact CG2-CG2 4.08Å; Y715-I833 HydrophobicContact CD2-CD1 4.26Å; Y718-I833 HydrophobicContact CD2-CD1 3.92Å; I833-Y852 HydrophobicContact CB-CE1 4.46Å; I833-Y852 HydrophobicContact CG2-CE1 3.91Å; I833-Y852 VanDerWaalsContact CG2-OH 3.29Å; I833-Y852 WeakPolarHBondContact CG2-OH 3.1Å; I833-Y852 WeakPolarHBondContact O-CE1 3.25Å; I833-K874 PolarHBondContact N-O 3.07Å; I833-K874 PolarHBondContact O-N 2.89Å; I833-L876 HydrophobicContact CD1-CD1 4.49Å; I833-L876 HydrophobicContact CD1-CD2 4.02Å; I833-L876 HydrophobicContact CG1-CD1 4.02Å; I833-L876 HydrophobicContact CG1-CD2 4.16Å; I833-L876 HydrophobicContact CG1-CG 4.18Å
834	G	94.2	Very high	88	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	166.9	178.5	0	0	0	0	0	113.7	V690 R691 V692 M872	V690-G834 PolarHBondContact O-N 3.5Å; R691-G834 WeakPolarHBondContact CA-O 3.41Å; V692-G834 PolarHBondContact N-O 2.93Å; G834-M872 CarbonylContact C-O 3.57Å; G834-M872 VanDerWaalsContact CA-O 3.32Å; G834-M872 WeakPolarHBondContact CA-O 3.39Å
835	V	95.2	Very high	88.3	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.9	174.5	-99.5	0	0	0	0	111.1	V692 F837 W847 Y852 I871 M872	V692-V835 HydrophobicContact CB-CG1 3.7Å; V692-V835 HydrophobicContact CG2-CG1 4.42Å; V835-F837 HydrophobicContact CB-CD1 4.36Å; V835-W847 HydrophobicContact CB-CH2 4.32Å; V835-W847 HydrophobicContact CB-CZ2 4.34Å; V835-W847 HydrophobicContact CG1-CE3 4.45Å; V835-W847 HydrophobicContact CG1-CH2 3.34Å; V835-W847 HydrophobicContact CG1-CZ2 3.6Å; V835-W847 HydrophobicContact CG1-CZ3 3.81Å; V835-W847 HydrophobicContact CG2-CD2 4Å; V835-W847 HydrophobicContact CG2-CE3 3.86Å; V835-W847 HydrophobicContact CG2-CH2 4.24Å; V835-W847 HydrophobicContact CG2-CZ2 4.4Å; V835-W847 HydrophobicContact CG2-CZ3 3.97Å; V835-Y852 HydrophobicContact CG2-CD1 3.81Å; V835-Y852 HydrophobicContact CG2-CE1 4.03Å; V835-I871 CarbonylContact O-C 3.54Å; V835-I871 VanDerWaalsContact O-CA 3.24Å; V835-I871 WeakPolarHBondContact O-CA 3.34Å; V835-M872 HydrophobicContact CG2-CB 4.08Å; V835-M872 WeakPolarHBondContact CG2-O 3.47Å; V835-M872 PolarHBondContact N-O 3.42Å; V835-M872 PolarHBondContact O-N 2.83Å
836	S	93	Very high	88.7	Confident	36 Å²	36	39.7 Å²	39.7	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.6	171.6	173.1	0	0	0	0	109.3	T869 C870	S836-T869 WeakPolarHBondContact OG-CG2 3.17Å; S836-C870 WeakPolarHBondContact CA-O 3.47Å
837	F	91.7	Very high	89.2	Confident	25 Å²	25	34.9 Å²	34.9	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161	-174.6	64.5	-81.4	0	0	0	113.6	V835 A839 L843 W847 T869 C870 M872	V835-F837 HydrophobicContact CB-CD1 4.36Å; F837-A839 PolarHBondContact O-N 3.38Å; F837-L843 HydrophobicContact CD2-CB 3.75Å; F837-L843 HydrophobicContact CD2-CD1 3.91Å; F837-L843 HydrophobicContact CD2-CG 4.48Å; F837-L843 HydrophobicContact CE2-CB 3.65Å; F837-W847 AromaticContact CD1-CD1 3.83Å; F837-W847 AromaticContact CD1-NE1 3.67Å; F837-W847 AromaticContact CE1-CD1 3.33Å; F837-W847 HydrophobicContact CE1-CG 4Å; F837-W847 AromaticContact CE1-NE1 3.69Å; F837-W847 AromaticContact CE2-CD1 3.75Å; F837-W847 AromaticContact CG-NE1 3.92Å; F837-W847 AromaticContact CZ-CD1 3.31Å; F837-W847 HydrophobicContact CZ-CG 4.16Å; F837-W847 AromaticContact CZ-NE1 3.97Å; F837-T869 WeakPolarHBondContact O-CA 3.27Å; F837-C870 HydrophobicContact CZ-CB 4.38Å; F837-C870 PolarHBondContact N-O 3.45Å; F837-C870 PolarHBondContact O-N 3.1Å; F837-M872 HydrophobicContact CE1-CG 3.74Å; F837-M872 HydrophobicContact CE1-SD 3.59Å; F837-M872 VanDerWaalsContact CE1-SD 3.59Å; F837-M872 HydrophobicContact CZ-CG 4.17Å; F837-M872 HydrophobicContact CZ-SD 3.54Å; F837-M872 VanDerWaalsContact CZ-SD 3.54Å
838	G	88.2	Confident	89.5	Confident	24 Å²	24	35.9 Å²	35.9	25%	0.247	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	116.7	170.6	0	0	0	0	0	110.5	T840 E867	G838-T840 PolarHBondContact O-N 3.29Å; G838-E867 WeakPolarHBondContact CA-OE2 3.38Å
839	A	85.2	Confident	89.7	Confident	8 Å²	8	44 Å²	44	7%	0.066	22%	0.215	C	C	.	.			trans	-84.3	73.2	-154.4	0	0	0	0	0	113.1	F837 L857 F868 C870 Y915	F837-A839 PolarHBondContact O-N 3.38Å; A839-L857 HydrophobicContact CB-CD1 4.2Å; A839-F868 VanDerWaalsContact CB-O 3.24Å; A839-F868 WeakPolarHBondContact CB-O 3.36Å; A839-F868 PolarHBondContact N-O 2.71Å; A839-C870 HydrophobicContact CB-CB 3.62Å; A839-Y915 WeakPolarHBondContact CB-OH 3.26Å; A839-Y915 PolarHBondContact O-OH 3.13Å
840	T	84.9	Confident	89.9	Confident	30 Å²	30	38.6 Å²	38.6	18%	0.184	20%	0.195	C	C	.	.			trans	-84	150.4	174.2	57.3	0	0	0	0	112.4	G838 S842 L843 L844 E867	G838-T840 PolarHBondContact O-N 3.29Å; T840-S842 VanDerWaalsContact C-N 3.26Å; T840-S842 PolarHBondContact O-N 2.73Å; T840-S842 PolarHBondContact OG1-OG 3.26Å; T840-L843 PolarHBondContact O-N 3.17Å; T840-L843 WeakPolarHBondContact OG1-CB 3.4Å; T840-L843 VanDerWaalsContact OG1-CG 3.3Å; T840-L843 WeakPolarHBondContact OG1-CG 3.42Å; T840-L843 PolarHBondContact OG1-N 3.36Å; T840-L844 WeakPolarHBondContact O-CB 3.13Å; T840-L844 PolarHBondContact O-N 2.98Å; T840-E867 WeakPolarHBondContact CG2-OE1 3.4Å
841	P	85.2	Confident	89.8	Confident	15 Å²	15	39.7 Å²	39.7	10%	0.097	21%	0.207	C	C	.	.	H	α-helix	trans	-55.8	-35.1	174.9	-28.1	34.2	0	0	0	114.3	R845 Y915 V1027	P841-R845 WeakPolarHBondContact O-CB 3.45Å; P841-R845 VanDerWaalsContact O-CD 3.26Å; P841-R845 WeakPolarHBondContact O-CD 3.38Å; P841-R845 WeakPolarHBondContact O-CG 3.39Å; P841-R845 PolarHBondContact O-N 3.06Å; P841-R845 VanDerWaalsContact O-N 3.08Å; P841-Y915 HydrophobicContact CG-CD2 4.04Å; P841-Y915 HydrophobicContact CG-CG 4.01Å; P841-V1027 HydrophobicContact CB-CG2 4.39Å; P841-V1027 HydrophobicContact CG-CG2 4.06Å
842	S	86.4	Confident	90	Very high	73 Å²	73	36.7 Å²	36.7	51%	0.51	19%	0.19	S	C	.	.	H	α-helix	trans	-65.9	-46.1	176.4	44.5	0	0	0	0	112.2	T840 F846	T840-S842 VanDerWaalsContact C-N 3.26Å; T840-S842 PolarHBondContact O-N 2.73Å; T840-S842 PolarHBondContact OG1-OG 3.26Å; S842-F846 PolarHBondContact O-N 3.13Å; S842-F846 VanDerWaalsContact O-N 3.11Å
843	L	89.5	Confident	90	Very high	69 Å²	69	36.9 Å²	36.9	36%	0.361	19%	0.191	S	C	.	.	H	α-helix	trans	-68.9	-41.5	176.6	-67.8	177.3	0	0	0	111.8	F837 T840 R845 F846 W847	F837-L843 HydrophobicContact CD2-CB 3.75Å; F837-L843 HydrophobicContact CD2-CD1 3.91Å; F837-L843 HydrophobicContact CD2-CG 4.48Å; F837-L843 HydrophobicContact CE2-CB 3.65Å; T840-L843 PolarHBondContact O-N 3.17Å; T840-L843 WeakPolarHBondContact OG1-CB 3.4Å; T840-L843 VanDerWaalsContact OG1-CG 3.3Å; T840-L843 WeakPolarHBondContact OG1-CG 3.42Å; T840-L843 PolarHBondContact OG1-N 3.36Å; L843-R845 VanDerWaalsContact C-N 3.3Å; L843-R845 PolarHBondContact O-N 3.22Å; L843-F846 WeakPolarHBondContact O-CB 3.44Å; L843-F846 PolarHBondContact O-N 2.97Å; L843-F846 VanDerWaalsContact O-N 3.08Å; L843-W847 PolarHBondContact O-N 3.02Å
844	L	90.8	Very high	90	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-43.7	176.2	-175.4	65.5	0	0	0	111.6	T840 W847 K848 M872 Y915 E918 L919	T840-L844 WeakPolarHBondContact O-CB 3.13Å; T840-L844 PolarHBondContact O-N 2.98Å; L844-W847 PolarHBondContact O-N 2.88Å; L844-K848 HydrophobicContact CD1-CD 4.34Å; L844-K848 HydrophobicContact CD1-CG 4.34Å; L844-K848 HydrophobicContact CG-CD 4.38Å; L844-K848 WeakPolarHBondContact O-CB 3.43Å; L844-K848 WeakPolarHBondContact O-CG 3.41Å; L844-K848 PolarHBondContact O-N 2.9Å; L844-M872 HydrophobicContact CD1-CE 4.1Å; L844-M872 HydrophobicContact CD1-SD 3.76Å; L844-Y915 HydrophobicContact CD2-CD2 3.96Å; L844-Y915 HydrophobicContact CD2-CE2 3.78Å; L844-E918 HydrophobicContact CD2-CB 3.96Å; L844-L919 HydrophobicContact CD1-CD2 4.11Å; L844-L919 HydrophobicContact CD2-CD2 3.77Å; L844-L919 HydrophobicContact CD2-CG 3.92Å
845	R	90	Very high	89.9	Confident	109 Å²	109	37 Å²	37	41%	0.411	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-38.1	174.8	-70.2	164	-171.7	161.1	2.7	112.6	P841 L843 R849 E918	P841-R845 WeakPolarHBondContact O-CB 3.45Å; P841-R845 VanDerWaalsContact O-CD 3.26Å; P841-R845 WeakPolarHBondContact O-CD 3.38Å; P841-R845 WeakPolarHBondContact O-CG 3.39Å; P841-R845 PolarHBondContact O-N 3.06Å; P841-R845 VanDerWaalsContact O-N 3.08Å; L843-R845 VanDerWaalsContact C-N 3.3Å; L843-R845 PolarHBondContact O-N 3.22Å; R845-R849 WeakPolarHBondContact O-CB 3.34Å; R845-R849 WeakPolarHBondContact O-CD 3.08Å; R845-R849 WeakPolarHBondContact O-CG 3.44Å; R845-R849 PolarHBondContact O-N 3.49Å; R845-E918 VanDerWaalsContact CG-OE2 3.27Å; R845-E918 WeakPolarHBondContact CG-OE2 3.49Å; R845-E918 IonicContact CZ-OE1 3.99Å; R845-E918 VanDerWaalsContact CZ-OE1 3.22Å; R845-E918 IonicContact CZ-OE2 3.38Å; R845-E918 VanDerWaalsContact NE-CD 3.27Å; R845-E918 IonicContact NE-OE1 2.62Å; R845-E918 PolarHBondContact NE-OE1 3.36Å; R845-E918 IonicContact NE-OE2 2.99Å; R845-E918 PolarHBondContact NE-OE2 3.16Å; R845-E918 IonicContact NH2-OE1 3.8Å; R845-E918 PolarHBondContact NH2-OE1 2.94Å; R845-E918 IonicContact NH2-OE2 2.77Å
846	F	91.1	Very high	89.8	Confident	52 Å²	52	38.8 Å²	38.8	23%	0.228	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-50.5	175	169.1	-94.2	0	0	0	111.2	I695 T708 L711 S842 L843 R849 S850	I695-F846 HydrophobicContact CD1-CE1 4.2Å; I695-F846 HydrophobicContact CD1-CZ 4.3Å; T708-F846 HydrophobicContact CG2-CD2 4.1Å; T708-F846 HydrophobicContact CG2-CE2 3.74Å; L711-F846 HydrophobicContact CD1-CE1 3.6Å; L711-F846 HydrophobicContact CD1-CZ 3.51Å; S842-F846 PolarHBondContact O-N 3.13Å; S842-F846 VanDerWaalsContact O-N 3.11Å; L843-F846 WeakPolarHBondContact O-CB 3.44Å; L843-F846 PolarHBondContact O-N 2.97Å; L843-F846 VanDerWaalsContact O-N 3.08Å; F846-R849 WeakPolarHBondContact O-CB 3.32Å; F846-R849 PolarHBondContact O-N 3.44Å; F846-S850 PolarHBondContact O-N 2.84Å; F846-S850 PolarHBondContact O-OG 3.26Å
847	W	92.8	Very high	89.8	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.045	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-40.8	-179.7	-68.3	116.3	0	0	0	113.2	I695 L711 V835 F837 L843 L844 R849 S850 G851 Y852 M872	I695-W847 HydrophobicContact CD1-CH2 3.49Å; I695-W847 VanDerWaalsContact CD1-CH2 3.49Å; I695-W847 HydrophobicContact CD1-CZ2 3.82Å; L711-W847 HydrophobicContact CD1-CE3 4.21Å; L711-W847 HydrophobicContact CD1-CH2 3.76Å; L711-W847 HydrophobicContact CD1-CZ3 3.46Å; L711-W847 VanDerWaalsContact CD1-CZ3 3.46Å; L711-W847 HydrophobicContact CD2-CH2 4.31Å; L711-W847 HydrophobicContact CD2-CZ3 4.25Å; V835-W847 HydrophobicContact CB-CH2 4.32Å; V835-W847 HydrophobicContact CB-CZ2 4.34Å; V835-W847 HydrophobicContact CG1-CE3 4.45Å; V835-W847 HydrophobicContact CG1-CH2 3.34Å; V835-W847 HydrophobicContact CG1-CZ2 3.6Å; V835-W847 HydrophobicContact CG1-CZ3 3.81Å; V835-W847 HydrophobicContact CG2-CD2 4Å; V835-W847 HydrophobicContact CG2-CE3 3.86Å; V835-W847 HydrophobicContact CG2-CH2 4.24Å; V835-W847 HydrophobicContact CG2-CZ2 4.4Å; V835-W847 HydrophobicContact CG2-CZ3 3.97Å; F837-W847 AromaticContact CD1-CD1 3.83Å; F837-W847 AromaticContact CD1-NE1 3.67Å; F837-W847 AromaticContact CE1-CD1 3.33Å; F837-W847 HydrophobicContact CE1-CG 4Å; F837-W847 AromaticContact CE1-NE1 3.69Å; F837-W847 AromaticContact CE2-CD1 3.75Å; F837-W847 AromaticContact CG-NE1 3.92Å; F837-W847 AromaticContact CZ-CD1 3.31Å; F837-W847 HydrophobicContact CZ-CG 4.16Å; F837-W847 AromaticContact CZ-NE1 3.97Å; L843-W847 PolarHBondContact O-N 3.02Å; L844-W847 PolarHBondContact O-N 2.88Å; W847-R849 VanDerWaalsContact C-N 3.32Å; W847-R849 PolarHBondContact O-N 2.9Å; W847-S850 CarbonylContact O-C 3.58Å; W847-S850 PolarHBondContact O-N 3.1Å; W847-S850 VanDerWaalsContact O-N 3.15Å; W847-G851 PolarHBondContact O-N 3.33Å; W847-Y852 HydrophobicContact CE3-CD1 4.25Å; W847-Y852 AromaticContact CE3-CD2 3.69Å; W847-Y852 HydrophobicContact CE3-CD2 3.69Å; W847-Y852 HydrophobicContact CE3-CE1 4.3Å; W847-Y852 AromaticContact CE3-CE2 3.75Å; W847-Y852 HydrophobicContact CE3-CE2 3.75Å; W847-Y852 AromaticContact CE3-CG 3.96Å; W847-Y852 HydrophobicContact CE3-CG 3.96Å; W847-Y852 HydrophobicContact CZ3-CD2 4.24Å; W847-Y852 HydrophobicContact CZ3-CE1 4.17Å; W847-Y852 AromaticContact CZ3-CE2 3.82Å; W847-Y852 HydrophobicContact CZ3-CE2 3.82Å; W847-Y852 AromaticContact CZ3-CZ 3.78Å; W847-Y852 PolarHBondContact O-N 3.32Å; W847-Y852 VanDerWaalsContact O-N 3.07Å; W847-M872 HydrophobicContact CB-CE 3.97Å; W847-M872 HydrophobicContact CB-SD 3.57Å; W847-M872 VanDerWaalsContact CB-SD 3.57Å; W847-M872 HydrophobicContact CG-SD 4.23Å
848	K	90.1	Very high	89.8	Confident	42 Å²	42	41.5 Å²	41.5	18%	0.183	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-27.3	173.9	-70.2	-164.9	171	-167.4	0	113.4	L844 G851 M872 E918 L919 S921	L844-K848 HydrophobicContact CD1-CD 4.34Å; L844-K848 HydrophobicContact CD1-CG 4.34Å; L844-K848 HydrophobicContact CG-CD 4.38Å; L844-K848 WeakPolarHBondContact O-CB 3.43Å; L844-K848 WeakPolarHBondContact O-CG 3.41Å; L844-K848 PolarHBondContact O-N 2.9Å; K848-G851 PolarHBondContact O-N 3.3Å; K848-M872 HydrophobicContact CG-CE 3.81Å; K848-E918 WeakPolarHBondContact CE-O 3.47Å; K848-E918 PolarHBondContact NZ-O 3.18Å; K848-L919 PolarHBondContact NZ-O 3.16Å; K848-S921 PolarHBondContact NZ-O 2.95Å
849	R	89.1	Confident	90	Very high	216 Å²	216	44.8 Å²	44.8	82%	0.815	21%	0.212	S	C	*	.	H	α-helix	trans	-70.1	-36.2	169.2	-77.1	169.5	-178.9	-162.3	0.3	112.3	R845 F846 W847 G851	R845-R849 WeakPolarHBondContact O-CB 3.34Å; R845-R849 WeakPolarHBondContact O-CD 3.08Å; R845-R849 WeakPolarHBondContact O-CG 3.44Å; R845-R849 PolarHBondContact O-N 3.49Å; F846-R849 WeakPolarHBondContact O-CB 3.32Å; F846-R849 PolarHBondContact O-N 3.44Å; W847-R849 VanDerWaalsContact C-N 3.32Å; W847-R849 PolarHBondContact O-N 2.9Å; R849-G851 PolarHBondContact O-N 3.31Å
850	S	88.2	Confident	90.1	Very high	23 Å²	23	49.6 Å²	49.6	16%	0.161	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.1	176	-59.6	0	0	0	0	114.2	F846 W847 K874	F846-S850 PolarHBondContact O-N 2.84Å; F846-S850 PolarHBondContact O-OG 3.26Å; W847-S850 CarbonylContact O-C 3.58Å; W847-S850 PolarHBondContact O-N 3.1Å; W847-S850 VanDerWaalsContact O-N 3.15Å; S850-K874 PolarHBondContact O-NZ 3.41Å
851	G	86.6	Confident	90.2	Very high	27 Å²	27	49.8 Å²	49.8	28%	0.278	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	20.6	174.9	0	0	0	0	0	115.6	W847 K848 R849	W847-G851 PolarHBondContact O-N 3.33Å; K848-G851 PolarHBondContact O-N 3.3Å; R849-G851 PolarHBondContact O-N 3.31Å
852	Y	92.2	Very high	90	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.016	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-87.6	141.4	177.4	-69	-108.4	0	0	0	111.5	I833 V835 W847 M872 K874 H922	I833-Y852 HydrophobicContact CB-CE1 4.46Å; I833-Y852 HydrophobicContact CG2-CE1 3.91Å; I833-Y852 VanDerWaalsContact CG2-OH 3.29Å; I833-Y852 WeakPolarHBondContact CG2-OH 3.1Å; I833-Y852 WeakPolarHBondContact O-CE1 3.25Å; V835-Y852 HydrophobicContact CG2-CD1 3.81Å; V835-Y852 HydrophobicContact CG2-CE1 4.03Å; W847-Y852 HydrophobicContact CE3-CD1 4.25Å; W847-Y852 AromaticContact CE3-CD2 3.69Å; W847-Y852 HydrophobicContact CE3-CD2 3.69Å; W847-Y852 HydrophobicContact CE3-CE1 4.3Å; W847-Y852 AromaticContact CE3-CE2 3.75Å; W847-Y852 HydrophobicContact CE3-CE2 3.75Å; W847-Y852 AromaticContact CE3-CG 3.96Å; W847-Y852 HydrophobicContact CE3-CG 3.96Å; W847-Y852 HydrophobicContact CZ3-CD2 4.24Å; W847-Y852 HydrophobicContact CZ3-CE1 4.17Å; W847-Y852 AromaticContact CZ3-CE2 3.82Å; W847-Y852 HydrophobicContact CZ3-CE2 3.82Å; W847-Y852 AromaticContact CZ3-CZ 3.78Å; W847-Y852 PolarHBondContact O-N 3.32Å; W847-Y852 VanDerWaalsContact O-N 3.07Å; Y852-M872 WeakPolarHBondContact O-CE 3.43Å; Y852-K874 HydrophobicContact CD1-CB 3.69Å; Y852-K874 HydrophobicContact CD2-CB 4.41Å; Y852-K874 HydrophobicContact CD2-CD 4.23Å; Y852-K874 HydrophobicContact CE1-CB 3.86Å; Y852-K874 HydrophobicContact CE2-CD 4.05Å; Y852-K874 HydrophobicContact CG-CB 3.99Å; Y852-H922 PolarHBondContact O-NE2 2.86Å; Y852-H922 VanDerWaalsContact O-NE2 3.09Å
853	V	91.5	Very high	89.5	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.1	-179.2	-176	0	0	0	0	109.5	M872 V873 L889 F893 M925	V853-M872 CarbonylContact O-C 3.52Å; V853-M872 WeakPolarHBondContact O-CA 3.26Å; V853-M872 WeakPolarHBondContact O-CB 3.3Å; V853-V873 PolarHBondContact N-O 3.19Å; V853-V873 PolarHBondContact O-N 3.33Å; V853-L889 HydrophobicContact CB-CD1 4.39Å; V853-L889 HydrophobicContact CB-CD2 4.35Å; V853-L889 HydrophobicContact CB-CG 4.47Å; V853-L889 HydrophobicContact CG2-CD2 4.08Å; V853-F893 HydrophobicContact CG1-CB 3.86Å; V853-F893 HydrophobicContact CG1-CD2 3.54Å; V853-F893 HydrophobicContact CG1-CE2 4.34Å; V853-F893 HydrophobicContact CG1-CG 3.81Å; V853-M925 HydrophobicContact CG1-CG 4.49Å; V853-M925 HydrophobicContact CG2-CE 3.76Å; V853-M925 HydrophobicContact CG2-CG 4.37Å
854	P	93.5	Very high	88.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.4	175.3	32.3	-32.3	0	0	0	110.7	M872 F893 F896	P854-M872 HydrophobicContact CB-CE 4.23Å; P854-M872 HydrophobicContact CB-CG 4.14Å; P854-F893 HydrophobicContact CG-CD2 4.36Å; P854-F893 HydrophobicContact CG-CE2 4.03Å; P854-F893 WeakPolarHBondContact O-CD2 3.48Å; P854-F896 HydrophobicContact CB-CD1 4.5Å; P854-F896 HydrophobicContact CB-CE1 3.88Å; P854-F896 HydrophobicContact CB-CZ 4.34Å; P854-F896 HydrophobicContact CG-CD1 4.45Å; P854-F896 HydrophobicContact CG-CE1 3.96Å; P854-F896 WeakPolarHBondContact O-CD1 3.46Å
855	V	92	Very high	87.9	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-29.5	-174.2	178	0	0	0	0	111.9	L675 F679 I871 V873 L889 F896	L675-V855 HydrophobicContact CD1-CG1 3.88Å; L675-V855 HydrophobicContact CD2-CG1 3.8Å; F679-V855 HydrophobicContact CE2-CG1 3.64Å; F679-V855 HydrophobicContact CZ-CG1 3.95Å; V855-I871 PolarHBondContact N-O 2.9Å; V855-V873 HydrophobicContact CB-CG2 4.45Å; V855-V873 HydrophobicContact CG2-CB 4.07Å; V855-V873 HydrophobicContact CG2-CG2 3.98Å; V855-L889 HydrophobicContact CG2-CD1 3.6Å; V855-F896 WeakPolarHBondContact O-CB 3.32Å; V855-F896 VanDerWaalsContact O-CD2 3.25Å; V855-F896 WeakPolarHBondContact O-CD2 3.33Å
856	Y	93.9	Very high	87.3	Confident	43 Å²	43	53 Å²	53	17%	0.169	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.3	178.2	169.6	-106.4	0	0	0	111.9	T674 Q678 R858 C870 I871	T674-Y856 HydrophobicContact CG2-CD1 3.63Å; T674-Y856 HydrophobicContact CG2-CE1 3.64Å; T674-Y856 HydrophobicContact CG2-CG 4.15Å; Q678-Y856 VanDerWaalsContact CD-CE2 3.46Å; Q678-Y856 HydrophobicContact CG-CD2 3.66Å; Q678-Y856 HydrophobicContact CG-CE2 3.8Å; Q678-Y856 HydrophobicContact CG-CG 4.37Å; Y856-R858 HydrophobicContact CE1-CB 4.13Å; Y856-C870 WeakPolarHBondContact O-CA 3.18Å; Y856-C870 PolarHBondContact O-SG 3Å; Y856-C870 VanDerWaalsContact O-SG 3.41Å; Y856-I871 HydrophobicContact CD1-CB 4.47Å; Y856-I871 HydrophobicContact CD1-CD1 3.89Å; Y856-I871 HydrophobicContact CD1-CG1 4.07Å; Y856-I871 PolarHBondContact N-O 3.46Å; Y856-I871 PolarHBondContact O-N 3.3Å
857	L	93.5	Very high	87	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.3	174.6	-174.7	65.9	0	0	0	108.4	A839 Q859 F868 C870 F896 L900 F908 L919	A839-L857 HydrophobicContact CB-CD1 4.2Å; L857-Q859 PolarHBondContact O-N 3.38Å; L857-F868 HydrophobicContact CD1-CB 3.78Å; L857-F868 HydrophobicContact CG-CB 4.35Å; L857-C870 HydrophobicContact CD1-CB 3.81Å; L857-F896 HydrophobicContact CB-CE2 3.87Å; L857-F896 HydrophobicContact CB-CZ 4.2Å; L857-L900 HydrophobicContact CD2-CD1 3.96Å; L857-F908 HydrophobicContact CB-CZ 4.35Å; L857-F908 HydrophobicContact CD2-CD1 4.11Å; L857-F908 HydrophobicContact CD2-CE1 3.57Å; L857-F908 HydrophobicContact CD2-CE2 4.11Å; L857-F908 HydrophobicContact CD2-CZ 3.58Å; L857-F908 HydrophobicContact CG-CE1 3.9Å; L857-F908 HydrophobicContact CG-CZ 3.8Å; L857-L919 HydrophobicContact CD2-CD1 3.93Å
858	R	92	Very high	86.9	Confident	109 Å²	109	53.4 Å²	53.4	41%	0.411	26%	0.255	S	S	.	.			trans	-66.4	126.3	179.3	-171.3	-176.7	-176.9	-177.6	-2.5	109.8	Y856 N860 F868 T869	Y856-R858 HydrophobicContact CE1-CB 4.13Å; R858-N860 WeakPolarHBondContact CD-O 3.3Å; R858-N860 WeakPolarHBondContact CG-O 3.38Å; R858-F868 VanDerWaalsContact O-CD1 3.32Å; R858-F868 WeakPolarHBondContact O-CD1 3.41Å; R858-T869 PolarHBondContact N-O 3.38Å
859	Q	90.6	Very high	86.9	Confident	94 Å²	94	53 Å²	53	44%	0.439	26%	0.256	S	S	.	.	S	Bend	trans	-66.5	-36.3	-179.2	-63.8	173.3	7.6	0	0	112.7	L857 F868 L903 P907 F908	L857-Q859 PolarHBondContact O-N 3.38Å; Q859-F868 VanDerWaalsContact O-CE1 3.31Å; Q859-F868 WeakPolarHBondContact O-CE1 3.41Å; Q859-L903 HydrophobicContact CG-CD1 4.25Å; Q859-L903 HydrophobicContact CG-CD2 4.48Å; Q859-P907 HydrophobicContact CB-CB 4.45Å; Q859-P907 HydrophobicContact CB-CG 4.22Å; Q859-P907 HydrophobicContact CG-CG 4.35Å; Q859-F908 HydrophobicContact CG-CZ 4.42Å
860	N	89.1	Confident	87.2	Confident	108 Å²	108	42.7 Å²	42.7	58%	0.578	22%	0.217	S	C	*	.	S	Bend	trans	-83.9	131.5	174.8	-59.7	30.6	0	0	0	109.9	R858	R858-N860 WeakPolarHBondContact CD-O 3.3Å; R858-N860 WeakPolarHBondContact CG-O 3.38Å
861	M	85	Confident	87.5	Confident	34 Å²	34	41.8 Å²	41.8	17%	0.167	21%	0.21	C	C	.	.			trans	-62.8	152	166.4	-68.6	-179.6	171	0	0	111	F868 A1032 S1035 I1036	M861-F868 HydrophobicContact CE-CD2 4.36Å; M861-F868 HydrophobicContact CE-CE1 3.97Å; M861-F868 HydrophobicContact CE-CE2 3.6Å; M861-F868 HydrophobicContact CE-CZ 3.38Å; M861-F868 HydrophobicContact CG-CD1 3.67Å; M861-F868 HydrophobicContact CG-CE1 3.47Å; M861-F868 VanDerWaalsContact CG-CE1 3.47Å; M861-F868 HydrophobicContact CG-CE2 4.48Å; M861-F868 HydrophobicContact CG-CG 4.29Å; M861-F868 HydrophobicContact CG-CZ 3.92Å; M861-A1032 HydrophobicContact CE-CB 3.68Å; M861-A1032 HydrophobicContact SD-CB 4.33Å; M861-S1035 WeakPolarHBondContact CE-OG 3.24Å; M861-I1036 HydrophobicContact SD-CD1 3.99Å; M861-I1036 HydrophobicContact SD-CG1 3.98Å
862	N	82.8	Confident	87.9	Confident	51 Å²	51	40.5 Å²	40.5	27%	0.273	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-80.4	115.3	169	172.8	46.6	0	0	0	110.1	L864 T865 G866 E867	N862-L864 PolarHBondContact O-N 3.09Å; N862-T865 PolarHBondContact ND2-N 3.24Å; N862-T865 PolarHBondContact ND2-OG1 3.29Å; N862-T865 PolarHBondContact O-N 2.71Å; N862-G866 PolarHBondContact O-N 2.93Å; N862-E867 PolarHBondContact N-O 2.89Å
863	E	74.6	Confident	87.9	Confident	181 Å²	181	40.3 Å²	40.3	85%	0.846	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-28	-177.8	-67.7	165.9	-160.9	0	0	114.4	P435	P435-E863 WeakPolarHBondContact CG-O 3.39Å
864	L	72	Confident	87.9	Confident	69 Å²	69	41.8 Å²	41.8	36%	0.361	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.7	-179.1	-70.9	166.8	0	0	0	114.5	Y604 K605 N862	Y604-L864 VanDerWaalsContact CE1-O 3.3Å; Y604-L864 WeakPolarHBondContact CE1-O 3.42Å; K605-L864 HydrophobicContact CD-CD1 4.11Å; N862-L864 PolarHBondContact O-N 3.09Å
865	T	76.2	Confident	87.8	Confident	24 Å²	24	43.4 Å²	43.4	15%	0.147	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-21.7	-179	54.6	0	0	0	0	113.9	P437 Y604 N862 E867	P437-T865 WeakPolarHBondContact CD-O 3.3Å; Y604-T865 HydrophobicContact CD1-CG2 3.85Å; Y604-T865 HydrophobicContact CE1-CG2 4.47Å; N862-T865 PolarHBondContact ND2-N 3.24Å; N862-T865 PolarHBondContact ND2-OG1 3.29Å; N862-T865 PolarHBondContact O-N 2.71Å; T865-E867 PolarHBondContact OG1-N 3.02Å
866	G	76.3	Confident	87.4	Confident	10 Å²	10	43.7 Å²	43.7	10%	0.103	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	18.3	-170.2	0	0	0	0	0	113.2	N862	N862-G866 PolarHBondContact O-N 2.93Å
867	E	84.5	Confident	86.3	Confident	61 Å²	61	49.5 Å²	49.5	29%	0.285	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-118.6	146.4	-174.5	-62.5	173.9	174.1	0	0	111.2	G838 T840 N862 T865	G838-E867 WeakPolarHBondContact CA-OE2 3.38Å; T840-E867 WeakPolarHBondContact CG2-OE1 3.4Å; N862-E867 PolarHBondContact N-O 2.89Å; T865-E867 PolarHBondContact OG1-N 3.02Å
868	F	90.5	Very high	84.6	Confident	13 Å²	13	52.5 Å²	52.5	6%	0.057	26%	0.255	C	S	.	.			trans	-71.2	148.2	167	-57.2	-69.3	0	0	0	110.7	A839 L857 R858 Q859 M861 F908 M911	A839-F868 VanDerWaalsContact CB-O 3.24Å; A839-F868 WeakPolarHBondContact CB-O 3.36Å; A839-F868 PolarHBondContact N-O 2.71Å; L857-F868 HydrophobicContact CD1-CB 3.78Å; L857-F868 HydrophobicContact CG-CB 4.35Å; R858-F868 VanDerWaalsContact O-CD1 3.32Å; R858-F868 WeakPolarHBondContact O-CD1 3.41Å; Q859-F868 VanDerWaalsContact O-CE1 3.31Å; Q859-F868 WeakPolarHBondContact O-CE1 3.41Å; M861-F868 HydrophobicContact CE-CD2 4.36Å; M861-F868 HydrophobicContact CE-CE1 3.97Å; M861-F868 HydrophobicContact CE-CE2 3.6Å; M861-F868 HydrophobicContact CE-CZ 3.38Å; M861-F868 HydrophobicContact CG-CD1 3.67Å; M861-F868 HydrophobicContact CG-CE1 3.47Å; M861-F868 VanDerWaalsContact CG-CE1 3.47Å; M861-F868 HydrophobicContact CG-CE2 4.48Å; M861-F868 HydrophobicContact CG-CG 4.29Å; M861-F868 HydrophobicContact CG-CZ 3.92Å; F868-F908 HydrophobicContact CD1-CD1 4.24Å; F868-F908 AromaticContact CD1-CE1 3.75Å; F868-F908 HydrophobicContact CD1-CE1 3.75Å; F868-F908 HydrophobicContact CD2-CD1 4.11Å; F868-F908 HydrophobicContact CD2-CE1 4.19Å; F868-F908 AromaticContact CE1-CD1 3.84Å; F868-F908 HydrophobicContact CE1-CD1 3.84Å; F868-F908 AromaticContact CE1-CE1 3.71Å; F868-F908 HydrophobicContact CE1-CE1 3.71Å; F868-F908 AromaticContact CE2-CD1 3.72Å; F868-F908 HydrophobicContact CE2-CD1 3.72Å; F868-F908 HydrophobicContact CE2-CE1 4.16Å; F868-F908 HydrophobicContact CG-CD1 4.36Å; F868-F908 AromaticContact CG-CE1 3.98Å; F868-F908 HydrophobicContact CG-CE1 3.98Å; F868-F908 AromaticContact CZ-CD1 3.55Å; F868-F908 HydrophobicContact CZ-CD1 3.55Å; F868-F908 AromaticContact CZ-CE1 3.91Å; F868-F908 HydrophobicContact CZ-CE1 3.91Å; F868-M911 HydrophobicContact CD2-SD 4.33Å; F868-M911 HydrophobicContact CE2-SD 4.19Å
869	T	91.6	Very high	82.6	Confident	32 Å²	32	56.8 Å²	56.8	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.2	173.6	-44.2	0	0	0	0	110.1	S836 F837 R858	S836-T869 WeakPolarHBondContact OG-CG2 3.17Å; F837-T869 WeakPolarHBondContact O-CA 3.27Å; R858-T869 PolarHBondContact N-O 3.38Å
870	C	94	Very high	80.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.7	174.8	-174.2	0	0	0	0	110.6	S836 F837 A839 Y856 L857	S836-C870 WeakPolarHBondContact CA-O 3.47Å; F837-C870 HydrophobicContact CZ-CB 4.38Å; F837-C870 PolarHBondContact N-O 3.45Å; F837-C870 PolarHBondContact O-N 3.1Å; A839-C870 HydrophobicContact CB-CB 3.62Å; Y856-C870 WeakPolarHBondContact O-CA 3.18Å; Y856-C870 PolarHBondContact O-SG 3Å; Y856-C870 VanDerWaalsContact O-SG 3.41Å; L857-C870 HydrophobicContact CD1-CB 3.81Å
871	I	95.2	Very high	77.8	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.5	166.7	-59.9	180	0	0	0	108.8	I671 T674 V835 V855 Y856 V873	I671-I871 HydrophobicContact CD1-CG2 4.32Å; I671-I871 HydrophobicContact CG1-CG2 4.28Å; I671-I871 HydrophobicContact CG2-CG2 4.25Å; T674-I871 HydrophobicContact CG2-CD1 3.68Å; V835-I871 CarbonylContact O-C 3.54Å; V835-I871 VanDerWaalsContact O-CA 3.24Å; V835-I871 WeakPolarHBondContact O-CA 3.34Å; V855-I871 PolarHBondContact N-O 2.9Å; Y856-I871 HydrophobicContact CD1-CB 4.47Å; Y856-I871 HydrophobicContact CD1-CD1 3.89Å; Y856-I871 HydrophobicContact CD1-CG1 4.07Å; Y856-I871 PolarHBondContact N-O 3.46Å; Y856-I871 PolarHBondContact O-N 3.3Å; I871-V873 HydrophobicContact CG2-CG2 4.33Å
872	M	94.6	Very high	75.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.2	173.5	-50.9	-175.5	62.1	0	0	110.4	G834 V835 F837 L844 W847 K848 Y852 V853 P854	G834-M872 CarbonylContact C-O 3.57Å; G834-M872 VanDerWaalsContact CA-O 3.32Å; G834-M872 WeakPolarHBondContact CA-O 3.39Å; V835-M872 HydrophobicContact CG2-CB 4.08Å; V835-M872 WeakPolarHBondContact CG2-O 3.47Å; V835-M872 PolarHBondContact N-O 3.42Å; V835-M872 PolarHBondContact O-N 2.83Å; F837-M872 HydrophobicContact CE1-CG 3.74Å; F837-M872 HydrophobicContact CE1-SD 3.59Å; F837-M872 VanDerWaalsContact CE1-SD 3.59Å; F837-M872 HydrophobicContact CZ-CG 4.17Å; F837-M872 HydrophobicContact CZ-SD 3.54Å; F837-M872 VanDerWaalsContact CZ-SD 3.54Å; L844-M872 HydrophobicContact CD1-CE 4.1Å; L844-M872 HydrophobicContact CD1-SD 3.76Å; W847-M872 HydrophobicContact CB-CE 3.97Å; W847-M872 HydrophobicContact CB-SD 3.57Å; W847-M872 VanDerWaalsContact CB-SD 3.57Å; W847-M872 HydrophobicContact CG-SD 4.23Å; K848-M872 HydrophobicContact CG-CE 3.81Å; Y852-M872 WeakPolarHBondContact O-CE 3.43Å; V853-M872 CarbonylContact O-C 3.52Å; V853-M872 WeakPolarHBondContact O-CA 3.26Å; V853-M872 WeakPolarHBondContact O-CB 3.3Å; P854-M872 HydrophobicContact CB-CE 4.23Å; P854-M872 HydrophobicContact CB-CG 4.14Å
873	V	93.4	Very high	73.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.5	-174.9	-174.7	0	0	0	0	110.3	L675 Y832 V853 V855 I871 W888 L889	L675-V873 HydrophobicContact CD1-CG2 4.27Å; Y832-V873 HydrophobicContact CD2-CG1 3.89Å; Y832-V873 HydrophobicContact CG-CG1 4.13Å; V853-V873 PolarHBondContact N-O 3.19Å; V853-V873 PolarHBondContact O-N 3.33Å; V855-V873 HydrophobicContact CB-CG2 4.45Å; V855-V873 HydrophobicContact CG2-CB 4.07Å; V855-V873 HydrophobicContact CG2-CG2 3.98Å; I871-V873 HydrophobicContact CG2-CG2 4.33Å; V873-W888 HydrophobicContact CG1-CH2 4.04Å; V873-L889 HydrophobicContact CB-CD1 4.24Å
874	K	91.6	Very high	72.2	Confident	35 Å²	35	59.9 Å²	59.9	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.7	172.6	-175.3	-176	-179.6	-166.5	0	108.5	Y715 Y832 I833 S850 Y852	Y715-K874 HydrophobicContact CD2-CD 4Å; Y715-K874 VanDerWaalsContact CD2-NZ 3.33Å; Y715-K874 HydrophobicContact CE2-CD 3.72Å; Y715-K874 HydrophobicContact CE2-CG 4.21Å; Y715-K874 VanDerWaalsContact CE2-NZ 3.3Å; Y832-K874 WeakPolarHBondContact CA-O 3.31Å; I833-K874 PolarHBondContact N-O 3.07Å; I833-K874 PolarHBondContact O-N 2.89Å; S850-K874 PolarHBondContact O-NZ 3.41Å; Y852-K874 HydrophobicContact CD1-CB 3.69Å; Y852-K874 HydrophobicContact CD2-CB 4.41Å; Y852-K874 HydrophobicContact CD2-CD 4.23Å; Y852-K874 HydrophobicContact CE1-CB 3.86Å; Y852-K874 HydrophobicContact CE2-CD 4.05Å; Y852-K874 HydrophobicContact CG-CB 3.99Å
875	P	90.7	Very high	71.4	Confident	33 Å²	33	59.9 Å²	59.9	21%	0.214	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	152.8	179.7	32.7	-31	0	0	0	110.8	Y715 L889	Y715-P875 PolarHBondContact OH-O 3.37Å; P875-L889 HydrophobicContact CG-CD2 4.05Å
876	L	84.3	Confident	70.8	Confident	9 Å²	9	61 Å²	61	5%	0.047	35%	0.345	C	S	.	.			trans	-93.9	156.2	168.5	-68.8	167.4	0	0	0	109.8	Y715 N719 L830 D831 I833 H878	Y715-L876 HydrophobicContact CD2-CD2 3.85Å; Y715-L876 HydrophobicContact CE2-CD2 3.65Å; N719-L876 VanDerWaalsContact ND2-CD2 3.28Å; N719-L876 WeakPolarHBondContact ND2-CD2 3.48Å; L830-L876 HydrophobicContact CB-CD1 3.5Å; L830-L876 WeakPolarHBondContact O-CD1 3.43Å; D831-L876 PolarHBondContact O-N 3.43Å; I833-L876 HydrophobicContact CD1-CD1 4.49Å; I833-L876 HydrophobicContact CD1-CD2 4.02Å; I833-L876 HydrophobicContact CG1-CD1 4.02Å; I833-L876 HydrophobicContact CG1-CD2 4.16Å; I833-L876 HydrophobicContact CG1-CG 4.18Å; L876-H878 PolarHBondContact O-N 2.85Å
877	K	68.9	Low	70.8	Confident	164 Å²	164	65.3 Å²	65.3	71%	0.713	36%	0.362	S	S	*	.			trans	-101.8	50.1	-175	-70.5	-166.7	172.3	-166.6	0	112.2	N719	N719-K877 PolarHBondContact OD1-N 2.79Å
878	H	59.2	Low	70.9	Confident	72 Å²	72	64.9 Å²	64.9	33%	0.333	36%	0.358	S	S	.	.			trans	-73.4	139.1	175.9	-158.4	-95.6	0	0	0	110.7	L876 S880	L876-H878 PolarHBondContact O-N 2.85Å; H878-S880 PolarHBondContact CE1-OG 3.36Å; H878-S880 PolarHBondContact ND1-OG 3.22Å
879	Q	48.8	Very low	70.8	Confident	199 Å²	199	64.2 Å²	64.2	93%	0.93	36%	0.355	S	S	*	.			trans	-88.5	-6.3	-169.8	-68.1	-176.1	-8.2	0	0	114.6
880	S	41.1	Very low	70.5	Confident	74 Å²	74	65 Å²	65	52%	0.517	36%	0.357	S	S	.	.	S	Bend	trans	-94.2	131.8	-176.1	66.7	0	0	0	0	112.9	H878	H878-S880 PolarHBondContact CE1-OG 3.36Å; H878-S880 PolarHBondContact ND1-OG 3.22Å
881	V	37.8	Very low	70.2	Confident	130 Å²	130	69.5 Å²	69.5	79%	0.788	38%	0.381	S	S	*	.	S	Bend	trans	76.4	95.3	171.6	-166.3	0	0	0	0	115.4
882	S	37	Very low	69.9	Low	80 Å²	80	70.8 Å²	70.8	56%	0.559	39%	0.385	S	S	*	.			trans	69.4	147.2	163.8	80.8	0	0	0	0	118.3	Q884	S882-Q884 PolarHBondContact O-N 3.03Å
883	S	39.2	Very low	69.7	Low	124 Å²	124	71.1 Å²	71.1	87%	0.867	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	6.5	-173.2	-51.3	0	0	0	0	115.1
884	Q	49.6	Very low	69.4	Low	125 Å²	125	75.3 Å²	75.3	58%	0.584	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	3.9	-168.2	-65.6	176.1	-20.7	0	0	114.4	S882 A886 E887	S882-Q884 PolarHBondContact O-N 3.03Å; Q884-A886 PolarHBondContact O-N 3.13Å; Q884-E887 PolarHBondContact O-N 2.94Å; Q884-E887 VanDerWaalsContact O-N 3.16Å
885	S	54.6	Low	69.3	Low	69 Å²	69	76.4 Å²	76.4	48%	0.483	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.8	-158.5	54.7	0	0	0	0	117.4	W888	S885-W888 PolarHBondContact O-NE1 2.8Å
886	A	64.2	Low	69.3	Low	47 Å²	47	75.3 Å²	75.3	39%	0.388	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-16.7	173.8	0	0	0	0	0	115.4	Q884 W888 L889 Q890	Q884-A886 PolarHBondContact O-N 3.13Å; A886-W888 PolarHBondContact O-N 2.98Å; A886-L889 PolarHBondContact O-N 3.43Å; A886-Q890 PolarHBondContact O-N 2.88Å
887	E	76.8	Confident	69.6	Low	101 Å²	101	75.5 Å²	75.5	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-41.3	-172.1	-62.9	176.9	165.8	0	0	111.8	Q884 L889 Q890 N891	Q884-E887 PolarHBondContact O-N 2.94Å; Q884-E887 VanDerWaalsContact O-N 3.16Å; E887-L889 PolarHBondContact O-N 3.44Å; E887-Q890 WeakPolarHBondContact O-CB 3.46Å; E887-Q890 PolarHBondContact O-N 3.08Å; E887-Q890 VanDerWaalsContact O-N 3.08Å; E887-N891 PolarHBondContact O-N 3.19Å; E887-N891 PolarHBondContact O-ND2 3.09Å
888	W	85.9	Confident	70.6	Confident	51 Å²	51	71.1 Å²	71.1	19%	0.193	39%	0.385	C	S	.	.	H	α-helix	trans	-55.3	-37.6	176	65.6	-91.1	0	0	0	112.4	F684 V873 S885 A886 N891 Y892	F684-W888 HydrophobicContact CD2-CZ3 4.2Å; F684-W888 HydrophobicContact CE2-CE3 4.36Å; F684-W888 AromaticContact CE2-CH2 3.9Å; F684-W888 HydrophobicContact CE2-CH2 3.9Å; F684-W888 AromaticContact CE2-CZ3 3.63Å; F684-W888 HydrophobicContact CE2-CZ3 3.63Å; V873-W888 HydrophobicContact CG1-CH2 4.04Å; S885-W888 PolarHBondContact O-NE1 2.8Å; A886-W888 PolarHBondContact O-N 2.98Å; W888-N891 PolarHBondContact O-N 2.72Å; W888-Y892 AromaticContact CE3-CD2 3.65Å; W888-Y892 HydrophobicContact CE3-CD2 3.65Å; W888-Y892 AromaticContact CE3-CE2 3.75Å; W888-Y892 HydrophobicContact CE3-CE2 3.75Å; W888-Y892 HydrophobicContact CZ3-CD2 4.06Å; W888-Y892 HydrophobicContact CZ3-CE2 4.31Å; W888-Y892 WeakPolarHBondContact O-CB 3.43Å; W888-Y892 WeakPolarHBondContact O-CD1 3.44Å; W888-Y892 PolarHBondContact O-N 2.79Å
889	L	87.5	Confident	72.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-75.5	-31.5	179.6	-176.3	62.7	0	0	0	112.3	V853 V855 V873 P875 A886 E887 F893 M925	V853-L889 HydrophobicContact CB-CD1 4.39Å; V853-L889 HydrophobicContact CB-CD2 4.35Å; V853-L889 HydrophobicContact CB-CG 4.47Å; V853-L889 HydrophobicContact CG2-CD2 4.08Å; V855-L889 HydrophobicContact CG2-CD1 3.6Å; V873-L889 HydrophobicContact CB-CD1 4.24Å; P875-L889 HydrophobicContact CG-CD2 4.05Å; A886-L889 PolarHBondContact O-N 3.43Å; E887-L889 PolarHBondContact O-N 3.44Å; L889-F893 VanDerWaalsContact O-CB 3.28Å; L889-F893 WeakPolarHBondContact O-CB 3.37Å; L889-F893 PolarHBondContact O-N 2.89Å; L889-M925 HydrophobicContact CD2-CE 4.24Å; L889-M925 HydrophobicContact CG-CE 4.4Å
890	Q	85.2	Confident	74.1	Confident	48 Å²	48	62.9 Å²	62.9	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-46.1	170.9	-65.7	172.3	-41.1	0	0	110.5	A886 E887 F893 Y894 M925 E928	A886-Q890 PolarHBondContact O-N 2.88Å; E887-Q890 WeakPolarHBondContact O-CB 3.46Å; E887-Q890 PolarHBondContact O-N 3.08Å; E887-Q890 VanDerWaalsContact O-N 3.08Å; Q890-F893 PolarHBondContact O-N 2.7Å; Q890-Y894 WeakPolarHBondContact O-CB 3.25Å; Q890-Y894 PolarHBondContact O-N 2.97Å; Q890-M925 HydrophobicContact CG-CE 4.36Å; Q890-M925 HydrophobicContact CG-SD 3.81Å; Q890-E928 PolarHBondContact NE2-OE1 2.86Å
891	N	87.8	Confident	76.6	Confident	95 Å²	95	59.4 Å²	59.4	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-48.1	176.7	-70.5	-30.2	0	0	0	111.6	E887 W888 F893 Y894 D895	E887-N891 PolarHBondContact O-N 3.19Å; E887-N891 PolarHBondContact O-ND2 3.09Å; W888-N891 PolarHBondContact O-N 2.72Å; N891-F893 VanDerWaalsContact C-N 3.32Å; N891-F893 PolarHBondContact O-N 3.44Å; N891-Y894 PolarHBondContact O-N 2.99Å; N891-D895 PolarHBondContact O-N 3.35Å
892	Y	89.9	Confident	79.1	Confident	30 Å²	30	58.9 Å²	58.9	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-33.6	176.3	-67.9	-5.6	0	0	0	112.5	F679 D681 F684 W888 F896	F679-Y892 HydrophobicContact CB-CD1 4.33Å; F679-Y892 HydrophobicContact CB-CE1 3.83Å; F679-Y892 AromaticContact CD1-CD1 3.57Å; F679-Y892 HydrophobicContact CD1-CD1 3.57Å; F679-Y892 AromaticContact CD1-CE1 3.94Å; F679-Y892 HydrophobicContact CD1-CE1 3.94Å; F679-Y892 HydrophobicContact CD1-CG 4.14Å; F679-Y892 AromaticContact CD2-CD1 3.96Å; F679-Y892 HydrophobicContact CD2-CD1 3.96Å; F679-Y892 AromaticContact CD2-CD2 3.95Å; F679-Y892 HydrophobicContact CD2-CD2 3.95Å; F679-Y892 HydrophobicContact CD2-CE1 4.11Å; F679-Y892 HydrophobicContact CD2-CE2 4.1Å; F679-Y892 AromaticContact CD2-CG 3.9Å; F679-Y892 HydrophobicContact CD2-CG 3.9Å; F679-Y892 AromaticContact CE1-CD1 3.8Å; F679-Y892 HydrophobicContact CE1-CD1 3.8Å; F679-Y892 HydrophobicContact CE1-CG 4Å; F679-Y892 HydrophobicContact CE2-CD1 4.16Å; F679-Y892 AromaticContact CE2-CD2 3.95Å; F679-Y892 HydrophobicContact CE2-CD2 3.95Å; F679-Y892 AromaticContact CE2-CG 3.75Å; F679-Y892 HydrophobicContact CE2-CG 3.75Å; F679-Y892 AromaticContact CG-CD1 3.67Å; F679-Y892 HydrophobicContact CG-CD1 3.67Å; F679-Y892 HydrophobicContact CG-CD2 4.46Å; F679-Y892 AromaticContact CG-CE1 3.67Å; F679-Y892 HydrophobicContact CG-CE1 3.67Å; F679-Y892 HydrophobicContact CG-CE2 4.47Å; F679-Y892 HydrophobicContact CG-CG 4.1Å; F679-Y892 HydrophobicContact CZ-CD1 4.1Å; F679-Y892 HydrophobicContact CZ-CD2 4.47Å; F679-Y892 AromaticContact CZ-CG 3.82Å; F679-Y892 HydrophobicContact CZ-CG 3.82Å; D681-Y892 VanDerWaalsContact CB-OH 3.32Å; D681-Y892 WeakPolarHBondContact CB-OH 3.44Å; D681-Y892 PolarHBondContact OD2-OH 3.19Å; F684-Y892 HydrophobicContact CD2-CE2 4.15Å; W888-Y892 AromaticContact CE3-CD2 3.65Å; W888-Y892 HydrophobicContact CE3-CD2 3.65Å; W888-Y892 AromaticContact CE3-CE2 3.75Å; W888-Y892 HydrophobicContact CE3-CE2 3.75Å; W888-Y892 HydrophobicContact CZ3-CD2 4.06Å; W888-Y892 HydrophobicContact CZ3-CE2 4.31Å; W888-Y892 WeakPolarHBondContact O-CB 3.43Å; W888-Y892 WeakPolarHBondContact O-CD1 3.44Å; W888-Y892 PolarHBondContact O-N 2.79Å; Y892-F896 WeakPolarHBondContact O-CB 3.47Å; Y892-F896 PolarHBondContact O-N 2.98Å
893	F	89.8	Confident	81.8	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-41.5	171.4	178.2	-109.5	0	0	0	112.3	V853 P854 L889 Q890 N891 F896 T897 H922 M925	V853-F893 HydrophobicContact CG1-CB 3.86Å; V853-F893 HydrophobicContact CG1-CD2 3.54Å; V853-F893 HydrophobicContact CG1-CE2 4.34Å; V853-F893 HydrophobicContact CG1-CG 3.81Å; P854-F893 HydrophobicContact CG-CD2 4.36Å; P854-F893 HydrophobicContact CG-CE2 4.03Å; P854-F893 WeakPolarHBondContact O-CD2 3.48Å; L889-F893 VanDerWaalsContact O-CB 3.28Å; L889-F893 WeakPolarHBondContact O-CB 3.37Å; L889-F893 PolarHBondContact O-N 2.89Å; Q890-F893 PolarHBondContact O-N 2.7Å; N891-F893 VanDerWaalsContact C-N 3.32Å; N891-F893 PolarHBondContact O-N 3.44Å; F893-F896 HydrophobicContact CD2-CD1 4.35Å; F893-F896 PolarHBondContact O-N 3.12Å; F893-T897 HydrophobicContact CD2-CG2 4.32Å; F893-T897 HydrophobicContact CE1-CG2 4.04Å; F893-T897 HydrophobicContact CE2-CG2 3.82Å; F893-T897 HydrophobicContact CZ-CG2 3.66Å; F893-T897 WeakPolarHBondContact O-CG2 3.45Å; F893-T897 PolarHBondContact O-N 3.3Å; F893-T897 PolarHBondContact O-OG1 3.5Å; F893-H922 HydrophobicContact CE1-CB 4.28Å; F893-H922 HydrophobicContact CE2-CB 4.07Å; F893-H922 HydrophobicContact CZ-CB 3.67Å; F893-M925 HydrophobicContact CD1-CB 3.73Å; F893-M925 HydrophobicContact CD1-CG 4.17Å; F893-M925 HydrophobicContact CE1-CB 3.86Å
894	Y	87.6	Confident	84.2	Confident	88 Å²	88	51.2 Å²	51.2	35%	0.345	25%	0.25	S	S	.	.	H	α-helix	trans	-63	-49.1	177.9	-177.9	-140.2	0	0	0	111	Q890 N891 F896 T897 K898	Q890-Y894 WeakPolarHBondContact O-CB 3.25Å; Q890-Y894 PolarHBondContact O-N 2.97Å; N891-Y894 PolarHBondContact O-N 2.99Å; Y894-F896 PolarHBondContact O-N 2.97Å; Y894-T897 PolarHBondContact O-N 3.36Å; Y894-T897 VanDerWaalsContact O-N 3.14Å; Y894-T897 PolarHBondContact O-OG1 3.09Å; Y894-K898 HydrophobicContact CE2-CG 4.45Å; Y894-K898 PolarHBondContact O-N 2.86Å
895	D	90.1	Very high	86.1	Confident	57 Å²	57	47.7 Å²	47.7	31%	0.305	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-34.3	175.9	-83	-2.7	0	0	0	112.9	F679 N891 K898 R899	F679-D895 HydrophobicContact CE1-CB 4.07Å; N891-D895 PolarHBondContact O-N 3.35Å; D895-K898 PolarHBondContact O-N 3.28Å; D895-K898 IonicContact OD1-NZ 3.94Å; D895-K898 PolarHBondContact OD1-NZ 3.38Å; D895-R899 WeakPolarHBondContact O-CB 3.23Å; D895-R899 WeakPolarHBondContact O-CG 3.33Å; D895-R899 PolarHBondContact O-N 3.17Å
896	F	91	Very high	87.7	Confident	11 Å²	11	46.4 Å²	46.4	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-46.6	168.3	171.6	-108	0	0	0	111.6	P854 V855 L857 Y892 F893 Y894 R899 L900	P854-F896 HydrophobicContact CB-CD1 4.5Å; P854-F896 HydrophobicContact CB-CE1 3.88Å; P854-F896 HydrophobicContact CB-CZ 4.34Å; P854-F896 HydrophobicContact CG-CD1 4.45Å; P854-F896 HydrophobicContact CG-CE1 3.96Å; P854-F896 WeakPolarHBondContact O-CD1 3.46Å; V855-F896 WeakPolarHBondContact O-CB 3.32Å; V855-F896 VanDerWaalsContact O-CD2 3.25Å; V855-F896 WeakPolarHBondContact O-CD2 3.33Å; L857-F896 HydrophobicContact CB-CE2 3.87Å; L857-F896 HydrophobicContact CB-CZ 4.2Å; Y892-F896 WeakPolarHBondContact O-CB 3.47Å; Y892-F896 PolarHBondContact O-N 2.98Å; F893-F896 HydrophobicContact CD2-CD1 4.35Å; F893-F896 PolarHBondContact O-N 3.12Å; Y894-F896 PolarHBondContact O-N 2.97Å; F896-R899 PolarHBondContact O-N 3.37Å; F896-L900 HydrophobicContact CE1-CD2 4.16Å; F896-L900 HydrophobicContact CZ-CD2 4.01Å; F896-L900 VanDerWaalsContact O-CB 3.26Å; F896-L900 WeakPolarHBondContact O-CB 3.39Å; F896-L900 PolarHBondContact O-N 3.4Å
897	T	89.4	Confident	88.7	Confident	13 Å²	13	46.1 Å²	46.1	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-40.9	177.4	60	0	0	0	0	112.4	F893 Y894 L900 I901 L920	F893-T897 HydrophobicContact CD2-CG2 4.32Å; F893-T897 HydrophobicContact CE1-CG2 4.04Å; F893-T897 HydrophobicContact CE2-CG2 3.82Å; F893-T897 HydrophobicContact CZ-CG2 3.66Å; F893-T897 WeakPolarHBondContact O-CG2 3.45Å; F893-T897 PolarHBondContact O-N 3.3Å; F893-T897 PolarHBondContact O-OG1 3.5Å; Y894-T897 PolarHBondContact O-N 3.36Å; Y894-T897 VanDerWaalsContact O-N 3.14Å; Y894-T897 PolarHBondContact O-OG1 3.09Å; T897-L900 PolarHBondContact O-N 3.2Å; T897-I901 WeakPolarHBondContact O-CB 3.36Å; T897-I901 WeakPolarHBondContact O-CD1 3.37Å; T897-I901 WeakPolarHBondContact O-CG1 3.28Å; T897-I901 PolarHBondContact O-N 3.48Å; T897-L920 HydrophobicContact CG2-CD2 4.1Å
898	K	89.5	Confident	89.3	Confident	71 Å²	71	41.4 Å²	41.4	31%	0.309	21%	0.207	S	C	.	.	H	α-helix	trans	-57.6	-50.2	172.1	-70.9	178.1	-166.5	153.5	0	111.6	Y894 D895 I901 H902	Y894-K898 HydrophobicContact CE2-CG 4.45Å; Y894-K898 PolarHBondContact O-N 2.86Å; D895-K898 PolarHBondContact O-N 3.28Å; D895-K898 IonicContact OD1-NZ 3.94Å; D895-K898 PolarHBondContact OD1-NZ 3.38Å; K898-I901 PolarHBondContact O-N 2.62Å; K898-H902 PolarHBondContact O-N 2.65Å; K898-H902 PolarHBondContact O-ND1 2.77Å
899	R	91.8	Very high	89.2	Confident	95 Å²	95	43.1 Å²	43.1	36%	0.358	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-44.1	179.5	-70.2	168.9	-173.2	-148.3	6.4	111.1	Q678 D895 F896 I901 H902 L903	Q678-R899 VanDerWaalsContact O-CZ 3.24Å; Q678-R899 PolarHBondContact O-NH1 2.88Å; Q678-R899 PolarHBondContact O-NH2 3.1Å; D895-R899 WeakPolarHBondContact O-CB 3.23Å; D895-R899 WeakPolarHBondContact O-CG 3.33Å; D895-R899 PolarHBondContact O-N 3.17Å; F896-R899 PolarHBondContact O-N 3.37Å; R899-I901 PolarHBondContact O-N 2.93Å; R899-H902 PolarHBondContact O-N 3.2Å; R899-L903 WeakPolarHBondContact O-CB 3.4Å; R899-L903 VanDerWaalsContact O-CG 3.25Å; R899-L903 WeakPolarHBondContact O-CG 3.36Å; R899-L903 PolarHBondContact O-N 2.99Å
900	L	91.2	Very high	88.9	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.6	-170.4	65.8	0	0	0	111.8	L857 F896 T897 H902 L903 F904 F908 L919 L920	L857-L900 HydrophobicContact CD2-CD1 3.96Å; F896-L900 HydrophobicContact CE1-CD2 4.16Å; F896-L900 HydrophobicContact CZ-CD2 4.01Å; F896-L900 VanDerWaalsContact O-CB 3.26Å; F896-L900 WeakPolarHBondContact O-CB 3.39Å; F896-L900 PolarHBondContact O-N 3.4Å; T897-L900 PolarHBondContact O-N 3.2Å; L900-H902 VanDerWaalsContact C-N 3.28Å; L900-H902 PolarHBondContact O-N 2.68Å; L900-L903 PolarHBondContact O-N 3.19Å; L900-F904 HydrophobicContact CD1-CZ 4.44Å; L900-F904 HydrophobicContact CD2-CE2 4.21Å; L900-F904 HydrophobicContact CD2-CZ 3.89Å; L900-F904 HydrophobicContact CG-CD2 4.44Å; L900-F904 HydrophobicContact CG-CE1 4.45Å; L900-F904 HydrophobicContact CG-CE2 3.76Å; L900-F904 HydrophobicContact CG-CZ 3.77Å; L900-F904 WeakPolarHBondContact O-CD2 3.4Å; L900-F904 PolarHBondContact O-N 3.04Å; L900-F908 HydrophobicContact CD1-CD2 3.72Å; L900-F908 HydrophobicContact CD1-CE2 3.72Å; L900-L919 HydrophobicContact CD2-CB 3.93Å; L900-L919 HydrophobicContact CD2-CD1 4.43Å; L900-L920 HydrophobicContact CD2-CD2 3.97Å; L900-L920 HydrophobicContact CD2-CG 4.34Å
901	I	92	Very high	88.9	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-55.6	-41.5	174.8	-75	166.7	0	0	0	111.7	T897 K898 R899 L920 Q972 F975 Q976 L997	T897-I901 WeakPolarHBondContact O-CB 3.36Å; T897-I901 WeakPolarHBondContact O-CD1 3.37Å; T897-I901 WeakPolarHBondContact O-CG1 3.28Å; T897-I901 PolarHBondContact O-N 3.48Å; K898-I901 PolarHBondContact O-N 2.62Å; R899-I901 PolarHBondContact O-N 2.93Å; I901-L920 HydrophobicContact CG1-CD2 4.21Å; I901-Q972 HydrophobicContact CG2-CG 3.9Å; I901-F975 HydrophobicContact CD1-CB 3.8Å; I901-F975 HydrophobicContact CG1-CB 4.26Å; I901-Q976 HydrophobicContact CD1-CG 3.98Å; I901-L997 HydrophobicContact CG1-CD1 4.13Å; I901-L997 HydrophobicContact CG2-CD1 4.42Å; I901-L997 HydrophobicContact CG2-CD2 4.12Å
902	H	91.7	Very high	88.7	Confident	119 Å²	119	39.2 Å²	39.2	55%	0.551	19%	0.193	S	C	*	.	H	α-helix	trans	-79.2	-18.4	177.2	-65.7	86.8	0	0	0	114.1	K898 R899 L900	K898-H902 PolarHBondContact O-N 2.65Å; K898-H902 PolarHBondContact O-ND1 2.77Å; R899-H902 PolarHBondContact O-N 3.2Å; L900-H902 VanDerWaalsContact C-N 3.28Å; L900-H902 PolarHBondContact O-N 2.68Å
903	L	92.8	Very high	88.5	Confident	43 Å²	43	37.8 Å²	37.8	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-95	-11.5	-179.1	-69.6	167.7	0	0	0	114	Q859 R899 L900 G906 P907 F908	Q859-L903 HydrophobicContact CG-CD1 4.25Å; Q859-L903 HydrophobicContact CG-CD2 4.48Å; R899-L903 WeakPolarHBondContact O-CB 3.4Å; R899-L903 VanDerWaalsContact O-CG 3.25Å; R899-L903 WeakPolarHBondContact O-CG 3.36Å; R899-L903 PolarHBondContact O-N 2.99Å; L900-L903 PolarHBondContact O-N 3.19Å; L903-G906 PolarHBondContact O-N 2.72Å; L903-P907 HydrophobicContact CD2-CG 4.35Å; L903-P907 WeakPolarHBondContact O-CD 3.5Å; L903-F908 HydrophobicContact CB-CD2 3.66Å; L903-F908 HydrophobicContact CB-CE2 3.62Å; L903-F908 HydrophobicContact CD1-CE2 4.09Å; L903-F908 HydrophobicContact CG-CE2 4.45Å
904	F	90.8	Very high	88.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.6	174.6	-77.9	-67.1	0	0	0	115.1	L900 G906 F908 R909 M911 L920 L993 L997 Q998	L900-F904 HydrophobicContact CD1-CZ 4.44Å; L900-F904 HydrophobicContact CD2-CE2 4.21Å; L900-F904 HydrophobicContact CD2-CZ 3.89Å; L900-F904 HydrophobicContact CG-CD2 4.44Å; L900-F904 HydrophobicContact CG-CE1 4.45Å; L900-F904 HydrophobicContact CG-CE2 3.76Å; L900-F904 HydrophobicContact CG-CZ 3.77Å; L900-F904 WeakPolarHBondContact O-CD2 3.4Å; L900-F904 PolarHBondContact O-N 3.04Å; F904-G906 PolarHBondContact O-N 2.8Å; F904-F908 HydrophobicContact CD1-CB 4.2Å; F904-F908 CarbonylContact O-C 3.58Å; F904-R909 WeakPolarHBondContact O-CA 3.42Å; F904-R909 PolarHBondContact O-N 2.85Å; F904-M911 HydrophobicContact CD1-CE 4.12Å; F904-M911 HydrophobicContact CE1-CE 3.54Å; F904-L920 HydrophobicContact CE2-CD1 3.85Å; F904-L920 HydrophobicContact CE2-CD2 4.23Å; F904-L920 HydrophobicContact CE2-CG 4.14Å; F904-L920 HydrophobicContact CZ-CD1 4.05Å; F904-L920 HydrophobicContact CZ-CG 4.12Å; F904-L993 HydrophobicContact CD1-CD2 4.47Å; F904-L993 HydrophobicContact CE1-CD2 4.21Å; F904-L993 HydrophobicContact CZ-CD1 4.18Å; F904-L997 CarbonylContact C-O 3.57Å; F904-L997 HydrophobicContact CB-CB 3.92Å; F904-L997 WeakPolarHBondContact CB-O 3.1Å; F904-L997 HydrophobicContact CD2-CB 3.99Å; F904-L997 HydrophobicContact CD2-CD1 3.78Å; F904-L997 HydrophobicContact CE2-CD1 4.01Å; F904-L997 HydrophobicContact CG-CB 4.16Å; F904-Q998 HydrophobicContact CB-CG 4.03Å; F904-Q998 HydrophobicContact CD1-CG 3.87Å; F904-Q998 HydrophobicContact CG-CG 4.26Å
905	P	89.3	Confident	88.4	Confident	51 Å²	51	35.7 Å²	35.7	33%	0.331	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.9	176.9	-21.4	32.8	0	0	0	114.1	L997	P905-L997 VanDerWaalsContact CD-O 3.22Å; P905-L997 WeakPolarHBondContact CD-O 3.36Å; P905-L997 VanDerWaalsContact CG-O 3.3Å; P905-L997 WeakPolarHBondContact CG-O 3.24Å
906	G	86.7	Confident	88.3	Confident	41 Å²	41	33 Å²	33	42%	0.423	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-113.6	-175.9	0	0	0	0	0	112.7	L903 F904 F908 R909	L903-G906 PolarHBondContact O-N 2.72Å; F904-G906 PolarHBondContact O-N 2.8Å; G906-F908 PolarHBondContact O-N 2.85Å; G906-F908 VanDerWaalsContact O-N 3.1Å; G906-R909 VanDerWaalsContact O-CB 3.23Å; G906-R909 WeakPolarHBondContact O-CB 3.43Å; G906-R909 PolarHBondContact O-N 2.95Å
907	P	85.6	Confident	88.3	Confident	42 Å²	42	33.2 Å²	33.2	27%	0.273	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.4	-172.1	24	-34.9	0	0	0	113.5	Q859 L903	Q859-P907 HydrophobicContact CB-CB 4.45Å; Q859-P907 HydrophobicContact CB-CG 4.22Å; Q859-P907 HydrophobicContact CG-CG 4.35Å; L903-P907 HydrophobicContact CD2-CG 4.35Å; L903-P907 WeakPolarHBondContact O-CD 3.5Å
908	F	88.9	Confident	88.2	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	13.1	-177.9	-46.7	-56.2	0	0	0	113.8	L857 Q859 F868 L900 L903 F904 G906 H910 M911 Q998	L857-F908 HydrophobicContact CB-CZ 4.35Å; L857-F908 HydrophobicContact CD2-CD1 4.11Å; L857-F908 HydrophobicContact CD2-CE1 3.57Å; L857-F908 HydrophobicContact CD2-CE2 4.11Å; L857-F908 HydrophobicContact CD2-CZ 3.58Å; L857-F908 HydrophobicContact CG-CE1 3.9Å; L857-F908 HydrophobicContact CG-CZ 3.8Å; Q859-F908 HydrophobicContact CG-CZ 4.42Å; F868-F908 HydrophobicContact CD1-CD1 4.24Å; F868-F908 AromaticContact CD1-CE1 3.75Å; F868-F908 HydrophobicContact CD1-CE1 3.75Å; F868-F908 HydrophobicContact CD2-CD1 4.11Å; F868-F908 HydrophobicContact CD2-CE1 4.19Å; F868-F908 AromaticContact CE1-CD1 3.84Å; F868-F908 HydrophobicContact CE1-CD1 3.84Å; F868-F908 AromaticContact CE1-CE1 3.71Å; F868-F908 HydrophobicContact CE1-CE1 3.71Å; F868-F908 AromaticContact CE2-CD1 3.72Å; F868-F908 HydrophobicContact CE2-CD1 3.72Å; F868-F908 HydrophobicContact CE2-CE1 4.16Å; F868-F908 HydrophobicContact CG-CD1 4.36Å; F868-F908 AromaticContact CG-CE1 3.98Å; F868-F908 HydrophobicContact CG-CE1 3.98Å; F868-F908 AromaticContact CZ-CD1 3.55Å; F868-F908 HydrophobicContact CZ-CD1 3.55Å; F868-F908 AromaticContact CZ-CE1 3.91Å; F868-F908 HydrophobicContact CZ-CE1 3.91Å; L900-F908 HydrophobicContact CD1-CD2 3.72Å; L900-F908 HydrophobicContact CD1-CE2 3.72Å; L903-F908 HydrophobicContact CB-CD2 3.66Å; L903-F908 HydrophobicContact CB-CE2 3.62Å; L903-F908 HydrophobicContact CD1-CE2 4.09Å; L903-F908 HydrophobicContact CG-CE2 4.45Å; F904-F908 HydrophobicContact CD1-CB 4.2Å; F904-F908 CarbonylContact O-C 3.58Å; G906-F908 PolarHBondContact O-N 2.85Å; G906-F908 VanDerWaalsContact O-N 3.1Å; F908-H910 VanDerWaalsContact C-N 3.29Å; F908-H910 PolarHBondContact O-N 3.26Å; F908-M911 HydrophobicContact CB-CB 4.37Å; F908-M911 HydrophobicContact CB-CE 3.88Å; F908-M911 HydrophobicContact CB-SD 4.19Å; F908-M911 HydrophobicContact CD1-SD 4.17Å; F908-M911 HydrophobicContact CG-CE 4.35Å; F908-M911 HydrophobicContact CG-SD 4.43Å; F908-M911 VanDerWaalsContact O-CB 3.23Å; F908-M911 WeakPolarHBondContact O-CB 3.33Å; F908-M911 PolarHBondContact O-N 2.83Å; F908-Q998 PolarHBondContact O-NE2 3.09Å
909	R	85.8	Confident	88.2	Confident	88 Å²	88	31.5 Å²	31.5	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.7	178.3	176.9	162.7	-162.3	-153.4	3.2	113	F904 G906 M911 Q998 H999 K1000	F904-R909 WeakPolarHBondContact O-CA 3.42Å; F904-R909 PolarHBondContact O-N 2.85Å; G906-R909 VanDerWaalsContact O-CB 3.23Å; G906-R909 WeakPolarHBondContact O-CB 3.43Å; G906-R909 PolarHBondContact O-N 2.95Å; R909-M911 VanDerWaalsContact C-N 3.33Å; R909-M911 PolarHBondContact O-N 3.33Å; R909-Q998 WeakPolarHBondContact CG-O 3.06Å; R909-Q998 PolarHBondContact NE-O 3Å; R909-H999 PolarHBondContact NE-O 2.73Å; R909-H999 PolarHBondContact NH2-O 3.04Å; R909-K1000 WeakPolarHBondContact O-CE 3.47Å
910	H	80.5	Confident	87.9	Confident	32 Å²	32	27.6 Å²	27.6	15%	0.148	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	24.4	-177.2	-56.5	-88	0	0	0	113.1	F908 D1031 Y1034 S1035 N1038	F908-H910 VanDerWaalsContact C-N 3.29Å; F908-H910 PolarHBondContact O-N 3.26Å; H910-D1031 HydrophobicContact CB-CB 4.29Å; H910-D1031 VanDerWaalsContact CB-O 3.3Å; H910-D1031 WeakPolarHBondContact CB-O 3.34Å; H910-D1031 WeakPolarHBondContact O-CB 3.4Å; H910-Y1034 VanDerWaalsContact ND1-CB 3.35Å; H910-Y1034 WeakPolarHBondContact ND1-CB 3.34Å; H910-S1035 VanDerWaalsContact CD2-CA 3.46Å; H910-S1035 WeakPolarHBondContact CD2-CA 3.41Å; H910-S1035 PolarHBondContact CD2-N 3.27Å; H910-N1038 PolarHBondContact CE1-ND2 2.96Å; H910-N1038 PolarHBondContact NE2-ND2 2.94Å; H910-N1038 VanDerWaalsContact NE2-ND2 3.15Å
911	M	84.2	Confident	87.4	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.034	17%	0.168	C	C	.	.	S	Bend	trans	-93	137	177.4	-167.4	168.4	70.9	0	0	109.6	F868 F904 F908 R909 G913 Y915 L919 Q998 K1000	F868-M911 HydrophobicContact CD2-SD 4.33Å; F868-M911 HydrophobicContact CE2-SD 4.19Å; F904-M911 HydrophobicContact CD1-CE 4.12Å; F904-M911 HydrophobicContact CE1-CE 3.54Å; F908-M911 HydrophobicContact CB-CB 4.37Å; F908-M911 HydrophobicContact CB-CE 3.88Å; F908-M911 HydrophobicContact CB-SD 4.19Å; F908-M911 HydrophobicContact CD1-SD 4.17Å; F908-M911 HydrophobicContact CG-CE 4.35Å; F908-M911 HydrophobicContact CG-SD 4.43Å; F908-M911 VanDerWaalsContact O-CB 3.23Å; F908-M911 WeakPolarHBondContact O-CB 3.33Å; F908-M911 PolarHBondContact O-N 2.83Å; R909-M911 VanDerWaalsContact C-N 3.33Å; R909-M911 PolarHBondContact O-N 3.33Å; M911-G913 PolarHBondContact O-N 3.36Å; M911-Y915 HydrophobicContact CG-CD1 3.3Å; M911-Y915 HydrophobicContact CG-CE1 3.52Å; M911-Y915 HydrophobicContact CG-CG 4.37Å; M911-Y915 HydrophobicContact SD-CD1 3.73Å; M911-Y915 HydrophobicContact SD-CE1 3.37Å; M911-Y915 WeakPolarHBondContact SD-CE1 3.3Å; M911-L919 HydrophobicContact CE-CD1 3.65Å; M911-L919 HydrophobicContact SD-CD1 4.03Å; M911-Q998 PolarHBondContact O-NE2 2.99Å; M911-Q998 PolarHBondContact O-OE1 3.23Å; M911-K1000 PolarHBondContact O-NZ 2.94Å
912	D	84.7	Confident	86.7	Confident	21 Å²	21	30.4 Å²	30.4	11%	0.112	17%	0.169	C	C	.	.			trans	-50.7	131.6	178.9	-69.9	60	0	0	0	112	T914 Y915 G916 R1011	D912-T914 PolarHBondContact O-N 3.26Å; D912-Y915 WeakPolarHBondContact O-CA 3.35Å; D912-Y915 WeakPolarHBondContact O-CB 3.44Å; D912-Y915 PolarHBondContact O-N 3.47Å; D912-G916 PolarHBondContact O-N 2.9Å; D912-R1011 IonicContact OD1-NH2 2.75Å; D912-R1011 PolarHBondContact OD1-NH2 2.85Å; D912-R1011 IonicContact OD2-CZ 2.8Å; D912-R1011 IonicContact OD2-NH2 3.75Å; D912-R1011 PolarHBondContact OD2-NH2 2.79Å
913	G	85.7	Confident	85.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-32.5	-177.4	0	0	0	0	0	114	M911 L917 C994 E1008	M911-G913 PolarHBondContact O-N 3.36Å; G913-L917 PolarHBondContact O-N 3.5Å; G913-C994 WeakPolarHBondContact CA-SG 3.49Å; G913-E1008 PolarHBondContact N-OE2 3.32Å
914	T	86.8	Confident	84.5	Confident	40 Å²	40	35.5 Å²	35.5	25%	0.245	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-36.9	174.3	57.9	0	0	0	0	112.4	D912 E918 V990 L1012	D912-T914 PolarHBondContact O-N 3.26Å; T914-E918 WeakPolarHBondContact O-CB 3.47Å; T914-E918 WeakPolarHBondContact O-CG 3.3Å; T914-E918 PolarHBondContact O-N 2.93Å; T914-V990 HydrophobicContact CG2-CG1 4.42Å; T914-V990 HydrophobicContact CG2-CG2 4.11Å; T914-L1012 HydrophobicContact CG2-CD1 3.9Å
915	Y	87.4	Confident	83.3	Confident	13 Å²	13	37 Å²	37	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-75.4	-37.4	178.4	172.5	-134.7	0	0	0	111.3	A839 P841 L844 M911 D912 E918 L919	A839-Y915 WeakPolarHBondContact CB-OH 3.26Å; A839-Y915 PolarHBondContact O-OH 3.13Å; P841-Y915 HydrophobicContact CG-CD2 4.04Å; P841-Y915 HydrophobicContact CG-CG 4.01Å; L844-Y915 HydrophobicContact CD2-CD2 3.96Å; L844-Y915 HydrophobicContact CD2-CE2 3.78Å; M911-Y915 HydrophobicContact CG-CD1 3.3Å; M911-Y915 HydrophobicContact CG-CE1 3.52Å; M911-Y915 HydrophobicContact CG-CG 4.37Å; M911-Y915 HydrophobicContact SD-CD1 3.73Å; M911-Y915 HydrophobicContact SD-CE1 3.37Å; M911-Y915 WeakPolarHBondContact SD-CE1 3.3Å; D912-Y915 WeakPolarHBondContact O-CA 3.35Å; D912-Y915 WeakPolarHBondContact O-CB 3.44Å; D912-Y915 PolarHBondContact O-N 3.47Å; Y915-E918 CarbonylContact O-C 3.59Å; Y915-E918 PolarHBondContact O-N 2.67Å; Y915-L919 HydrophobicContact CD2-CG 4.39Å; Y915-L919 HydrophobicContact CE1-CD1 4.44Å; Y915-L919 HydrophobicContact CE2-CD1 4.03Å; Y915-L919 HydrophobicContact CE2-CD2 4.25Å; Y915-L919 HydrophobicContact CE2-CG 3.97Å; Y915-L919 WeakPolarHBondContact O-CG 3.17Å; Y915-L919 PolarHBondContact O-N 3.41Å
916	G	89.4	Confident	81.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-44.8	168.5	0	0	0	0	0	113.3	D912 L919 L920	D912-G916 PolarHBondContact O-N 2.9Å; G916-L919 PolarHBondContact O-N 3.41Å; G916-L920 PolarHBondContact O-N 3.44Å
917	L	89.3	Confident	80.5	Confident	16 Å²	16	42.6 Å²	42.6	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-37.2	175.2	-175.3	63.3	0	0	0	112.1	G913 L919 L920 S921 F975 Q989 V990 L993	G913-L917 PolarHBondContact O-N 3.5Å; L917-L919 VanDerWaalsContact C-N 3.27Å; L917-L919 PolarHBondContact O-N 3.4Å; L917-L920 PolarHBondContact O-N 3.47Å; L917-S921 WeakPolarHBondContact O-CB 3.32Å; L917-S921 PolarHBondContact O-N 2.84Å; L917-S921 PolarHBondContact O-OG 3.28Å; L917-F975 HydrophobicContact CD1-CE1 3.81Å; L917-F975 HydrophobicContact CD1-CZ 4.45Å; L917-Q989 HydrophobicContact CD1-CB 3.95Å; L917-Q989 HydrophobicContact CD2-CB 3.7Å; L917-V990 HydrophobicContact CB-CG2 4.25Å; L917-V990 HydrophobicContact CD2-CG2 3.65Å; L917-L993 HydrophobicContact CB-CD1 4.23Å
918	E	87.9	Confident	79	Confident	47 Å²	47	46.7 Å²	46.7	22%	0.22	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-24.9	173.7	-81	-176.3	-159.1	0	0	113.2	L844 R845 K848 T914 Y915	L844-E918 HydrophobicContact CD2-CB 3.96Å; R845-E918 VanDerWaalsContact CG-OE2 3.27Å; R845-E918 WeakPolarHBondContact CG-OE2 3.49Å; R845-E918 IonicContact CZ-OE1 3.99Å; R845-E918 VanDerWaalsContact CZ-OE1 3.22Å; R845-E918 IonicContact CZ-OE2 3.38Å; R845-E918 VanDerWaalsContact NE-CD 3.27Å; R845-E918 IonicContact NE-OE1 2.62Å; R845-E918 PolarHBondContact NE-OE1 3.36Å; R845-E918 IonicContact NE-OE2 2.99Å; R845-E918 PolarHBondContact NE-OE2 3.16Å; R845-E918 IonicContact NH2-OE1 3.8Å; R845-E918 PolarHBondContact NH2-OE1 2.94Å; R845-E918 IonicContact NH2-OE2 2.77Å; K848-E918 WeakPolarHBondContact CE-O 3.47Å; K848-E918 PolarHBondContact NZ-O 3.18Å; T914-E918 WeakPolarHBondContact O-CB 3.47Å; T914-E918 WeakPolarHBondContact O-CG 3.3Å; T914-E918 PolarHBondContact O-N 2.93Å; Y915-E918 CarbonylContact O-C 3.59Å; Y915-E918 PolarHBondContact O-N 2.67Å
919	L	88.9	Confident	77.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-52.8	170.9	-76	165.5	0	0	0	111.7	L844 K848 L857 L900 M911 Y915 G916 L917 S921	L844-L919 HydrophobicContact CD1-CD2 4.11Å; L844-L919 HydrophobicContact CD2-CD2 3.77Å; L844-L919 HydrophobicContact CD2-CG 3.92Å; K848-L919 PolarHBondContact NZ-O 3.16Å; L857-L919 HydrophobicContact CD2-CD1 3.93Å; L900-L919 HydrophobicContact CD2-CB 3.93Å; L900-L919 HydrophobicContact CD2-CD1 4.43Å; M911-L919 HydrophobicContact CE-CD1 3.65Å; M911-L919 HydrophobicContact SD-CD1 4.03Å; Y915-L919 HydrophobicContact CD2-CG 4.39Å; Y915-L919 HydrophobicContact CE1-CD1 4.44Å; Y915-L919 HydrophobicContact CE2-CD1 4.03Å; Y915-L919 HydrophobicContact CE2-CD2 4.25Å; Y915-L919 HydrophobicContact CE2-CG 3.97Å; Y915-L919 WeakPolarHBondContact O-CG 3.17Å; Y915-L919 PolarHBondContact O-N 3.41Å; G916-L919 PolarHBondContact O-N 3.41Å; L917-L919 VanDerWaalsContact C-N 3.27Å; L917-L919 PolarHBondContact O-N 3.4Å; L919-S921 PolarHBondContact O-N 3.25Å
920	L	86.4	Confident	75.9	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-34.1	-178	-69.8	173.9	0	0	0	113.9	T897 L900 I901 F904 G916 L917 H922 F975 L993	T897-L920 HydrophobicContact CG2-CD2 4.1Å; L900-L920 HydrophobicContact CD2-CD2 3.97Å; L900-L920 HydrophobicContact CD2-CG 4.34Å; I901-L920 HydrophobicContact CG1-CD2 4.21Å; F904-L920 HydrophobicContact CE2-CD1 3.85Å; F904-L920 HydrophobicContact CE2-CD2 4.23Å; F904-L920 HydrophobicContact CE2-CG 4.14Å; F904-L920 HydrophobicContact CZ-CD1 4.05Å; F904-L920 HydrophobicContact CZ-CG 4.12Å; G916-L920 PolarHBondContact O-N 3.44Å; L917-L920 PolarHBondContact O-N 3.47Å; L920-H922 PolarHBondContact O-N 2.97Å; L920-F975 HydrophobicContact CD1-CB 4.22Å; L920-F975 HydrophobicContact CD1-CD1 3.66Å; L920-F975 HydrophobicContact CD1-CE1 4.2Å; L920-F975 HydrophobicContact CD1-CG 3.93Å; L920-L993 HydrophobicContact CD1-CD1 3.73Å
921	S	81.6	Confident	75.2	Confident	59 Å²	59	54.5 Å²	54.5	41%	0.413	29%	0.291	S	S	.	.			trans	-82.9	118.1	-175.7	56.4	0	0	0	0	112.4	K848 L917 L919	K848-S921 PolarHBondContact NZ-O 2.95Å; L917-S921 WeakPolarHBondContact O-CB 3.32Å; L917-S921 PolarHBondContact O-N 2.84Å; L917-S921 PolarHBondContact O-OG 3.28Å; L919-S921 PolarHBondContact O-N 3.25Å
922	H	77.3	Confident	74.6	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.028	31%	0.313	C	S	.	.			trans	-137.7	111.4	174.1	-165	-79.5	0	0	0	112.2	Y852 F893 L920 S924 M925 N926	Y852-H922 PolarHBondContact O-NE2 2.86Å; Y852-H922 VanDerWaalsContact O-NE2 3.09Å; F893-H922 HydrophobicContact CE1-CB 4.28Å; F893-H922 HydrophobicContact CE2-CB 4.07Å; F893-H922 HydrophobicContact CZ-CB 3.67Å; L920-H922 PolarHBondContact O-N 2.97Å; H922-S924 VanDerWaalsContact C-N 3.32Å; H922-S924 PolarHBondContact CE1-OG 3.18Å; H922-S924 PolarHBondContact ND1-N 2.99Å; H922-S924 PolarHBondContact O-N 3.41Å; H922-M925 PolarHBondContact O-N 2.91Å; H922-N926 PolarHBondContact O-OD1 3.4Å
923	K	71.2	Confident	74.2	Confident	193 Å²	193	58.3 Å²	58.3	84%	0.839	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-56.5	-39.3	-171.2	-68.2	-171.4	177.5	-172.8	0	114.5	M925	K923-M925 VanDerWaalsContact C-N 3.26Å; K923-M925 PolarHBondContact O-N 2.72Å
924	S	66.7	Low	73.7	Confident	75 Å²	75	61.3 Å²	61.3	52%	0.524	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-75.2	-15.1	-174.3	-40.6	0	0	0	0	113.9	H922	H922-S924 VanDerWaalsContact C-N 3.32Å; H922-S924 PolarHBondContact CE1-OG 3.18Å; H922-S924 PolarHBondContact ND1-N 2.99Å; H922-S924 PolarHBondContact O-N 3.41Å
925	M	66.1	Low	73.2	Confident	33 Å²	33	60.7 Å²	60.7	16%	0.163	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-117	46.2	-176.2	-56.2	-49.9	-175.3	0	0	109.6	V853 L889 Q890 F893 H922 K923 R977	V853-M925 HydrophobicContact CG1-CG 4.49Å; V853-M925 HydrophobicContact CG2-CE 3.76Å; V853-M925 HydrophobicContact CG2-CG 4.37Å; L889-M925 HydrophobicContact CD2-CE 4.24Å; L889-M925 HydrophobicContact CG-CE 4.4Å; Q890-M925 HydrophobicContact CG-CE 4.36Å; Q890-M925 HydrophobicContact CG-SD 3.81Å; F893-M925 HydrophobicContact CD1-CB 3.73Å; F893-M925 HydrophobicContact CD1-CG 4.17Å; F893-M925 HydrophobicContact CE1-CB 3.86Å; H922-M925 PolarHBondContact O-N 2.91Å; K923-M925 VanDerWaalsContact C-N 3.26Å; K923-M925 PolarHBondContact O-N 2.72Å; M925-R977 PolarHBondContact O-NH1 3.24Å; M925-R977 PolarHBondContact O-NH2 2.91Å
926	N	59.8	Low	72.8	Confident	95 Å²	95	64.2 Å²	64.2	51%	0.508	35%	0.348	S	S	.	.			trans	-112.2	-2.2	-176.6	-85.9	5.5	0	0	0	113.6	H922 R977	H922-N926 PolarHBondContact O-OD1 3.4Å; N926-R977 PolarHBondContact OD1-NH2 3.17Å
927	T	56.4	Low	72.5	Confident	113 Å²	113	67.1 Å²	67.1	69%	0.693	36%	0.361	S	S	*	.	S	Bend	trans	-95.9	-15.3	-157.9	-8.7	0	0	0	0	115.3
928	E	53.7	Low	72.2	Confident	128 Å²	128	66.4 Å²	66.4	60%	0.598	36%	0.357	S	S	*	.	S	Bend	trans	-117.6	138.9	-173.5	-73.6	162.8	-119.5	0	0	110.8	Q890 S930	Q890-E928 PolarHBondContact NE2-OE1 2.86Å; E928-S930 PolarHBondContact O-N 2.85Å
929	I	52.3	Low	72	Confident	132 Å²	132	68.9 Å²	68.9	68%	0.677	37%	0.372	S	S	*	.			trans	-92.8	107.2	-161.8	-59.7	169.9	0	0	0	109.2	N931 E932	I929-N931 PolarHBondContact O-N 2.86Å; I929-E932 HydrophobicContact CG2-CG 4.45Å
930	S	58.2	Low	71.9	Confident	23 Å²	23	73.7 Å²	73.7	16%	0.161	41%	0.406	C	S	.	.			trans	-59.6	118.5	158.6	51.3	0	0	0	0	108.9	E928 E932 Q976	E928-S930 PolarHBondContact O-N 2.85Å; S930-E932 PolarHBondContact O-N 2.96Å; S930-Q976 PolarHBondContact OG-O 2.71Å; S930-Q976 VanDerWaalsContact OG-O 3.11Å
931	N	65.3	Low	71.8	Confident	130 Å²	130	75.9 Å²	75.9	70%	0.695	42%	0.417	S	S	*	.			trans	-33.8	124.8	-173.1	-62.1	4.5	0	0	0	113.5	I929 R978	I929-N931 PolarHBondContact O-N 2.86Å; N931-R978 PolarHBondContact O-NE 3.41Å; N931-R978 PolarHBondContact O-NH2 3.38Å
932	E	71.2	Confident	72.1	Confident	104 Å²	104	73.2 Å²	73.2	49%	0.486	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-55.9	156.8	176.4	-62.7	-166.3	165.8	0	0	111.1	I929 S930 T934 R978 P980	I929-E932 HydrophobicContact CG2-CG 4.45Å; S930-E932 PolarHBondContact O-N 2.96Å; E932-T934 PolarHBondContact O-N 3.15Å; E932-R978 PolarHBondContact O-NH2 2.67Å; E932-P980 HydrophobicContact CG-CG 4.31Å; E932-P980 VanDerWaalsContact OE1-CG 3.25Å; E932-P980 WeakPolarHBondContact OE1-CG 3.47Å
933	L	76	Confident	72.7	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-75.7	116.7	-173.8	-165.8	67.1	0	0	0	110.8	E937 I938 L941 I973 R978 L1090 I1093	L933-E937 HydrophobicContact CD1-CB 3.83Å; L933-E937 HydrophobicContact CG-CB 4.41Å; L933-I938 HydrophobicContact CD2-CD1 4.3Å; L933-I938 HydrophobicContact CD2-CG1 3.56Å; L933-I938 HydrophobicContact CG-CG1 3.79Å; L933-L941 HydrophobicContact CD1-CD1 4Å; L933-I973 HydrophobicContact CD2-CD1 4.24Å; L933-I973 HydrophobicContact CD2-CG2 4Å; L933-R978 HydrophobicContact CB-CB 4.47Å; L933-R978 PolarHBondContact N-O 2.92Å; L933-L1090 HydrophobicContact CD2-CD2 4.12Å; L933-I1093 WeakPolarHBondContact O-CG2 3.41Å
934	T	76.4	Confident	73.5	Confident	62 Å²	62	72.6 Å²	72.6	38%	0.38	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-77.4	157.3	-179.8	61	0	0	0	0	112.1	E932 S936 E937 I938	E932-T934 PolarHBondContact O-N 3.15Å; T934-S936 VanDerWaalsContact C-N 3.28Å; T934-S936 PolarHBondContact O-N 3.2Å; T934-S936 PolarHBondContact OG1-OG 3.38Å; T934-E937 WeakPolarHBondContact CB-OE2 3.43Å; T934-E937 PolarHBondContact N-OE2 3.27Å; T934-E937 PolarHBondContact O-N 3.39Å; T934-E937 VanDerWaalsContact O-N 3.11Å; T934-E937 VanDerWaalsContact OG1-CD 3.3Å; T934-E937 VanDerWaalsContact OG1-CG 3.24Å; T934-E937 WeakPolarHBondContact OG1-CG 3.49Å; T934-E937 PolarHBondContact OG1-N 3.09Å; T934-E937 PolarHBondContact OG1-OE2 3.3Å; T934-I938 PolarHBondContact O-N 2.96Å
935	Q	75.9	Confident	74.6	Confident	28 Å²	28	73.8 Å²	73.8	13%	0.131	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-33.4	-179.9	-66.5	-155	7.3	0	0	113.3	E937 I938 N939 I1093 L1094 E1097	Q935-E937 VanDerWaalsContact C-N 3.34Å; Q935-I938 PolarHBondContact O-N 2.89Å; Q935-N939 VanDerWaalsContact O-CG 3.28Å; Q935-N939 PolarHBondContact O-N 3.05Å; Q935-N939 PolarHBondContact O-ND2 2.68Å; Q935-N939 VanDerWaalsContact O-ND2 3.12Å; Q935-I1093 PolarHBondContact NE2-O 2.85Å; Q935-L1094 HydrophobicContact CG-CD2 4.28Å; Q935-L1094 VanDerWaalsContact NE2-CA 3.27Å; Q935-L1094 PolarHBondContact NE2-O 3.16Å; Q935-L1094 VanDerWaalsContact NE2-O 3.14Å; Q935-E1097 HydrophobicContact CG-CB 4.3Å
936	S	78.9	Confident	75.9	Confident	87 Å²	87	72.8 Å²	72.8	61%	0.608	42%	0.415	S	S	*	.	H	α-helix	trans	-63.5	-39.3	173.5	45.9	0	0	0	0	111.9	T934 S940	T934-S936 VanDerWaalsContact C-N 3.28Å; T934-S936 PolarHBondContact O-N 3.2Å; T934-S936 PolarHBondContact OG1-OG 3.38Å; S936-S940 WeakPolarHBondContact O-CB 3.49Å; S936-S940 PolarHBondContact O-N 3.44Å
937	E	83.2	Confident	77.3	Confident	61 Å²	61	69.1 Å²	69.1	29%	0.285	40%	0.395	S	S	.	.	H	α-helix	trans	-69.7	-38.4	173.3	-68.3	170.6	110.8	0	0	112.5	L933 T934 Q935 N939 S940 L941 R978	L933-E937 HydrophobicContact CD1-CB 3.83Å; L933-E937 HydrophobicContact CG-CB 4.41Å; T934-E937 WeakPolarHBondContact CB-OE2 3.43Å; T934-E937 PolarHBondContact N-OE2 3.27Å; T934-E937 PolarHBondContact O-N 3.39Å; T934-E937 VanDerWaalsContact O-N 3.11Å; T934-E937 VanDerWaalsContact OG1-CD 3.3Å; T934-E937 VanDerWaalsContact OG1-CG 3.24Å; T934-E937 WeakPolarHBondContact OG1-CG 3.49Å; T934-E937 PolarHBondContact OG1-N 3.09Å; T934-E937 PolarHBondContact OG1-OE2 3.3Å; Q935-E937 VanDerWaalsContact C-N 3.34Å; E937-N939 VanDerWaalsContact C-N 3.35Å; E937-N939 PolarHBondContact O-N 3.42Å; E937-S940 PolarHBondContact O-N 3.08Å; E937-L941 VanDerWaalsContact O-CB 3.31Å; E937-L941 WeakPolarHBondContact O-CB 3.36Å; E937-L941 VanDerWaalsContact O-CG 3.23Å; E937-L941 WeakPolarHBondContact O-CG 3.41Å; E937-L941 PolarHBondContact O-N 2.91Å; E937-R978 VanDerWaalsContact CD-NH2 3.25Å; E937-R978 IonicContact OE1-CZ 3.63Å; E937-R978 VanDerWaalsContact OE1-CZ 3.27Å; E937-R978 IonicContact OE1-NH1 2.95Å; E937-R978 PolarHBondContact OE1-NH1 3.43Å; E937-R978 IonicContact OE1-NH2 2.67Å; E937-R978 PolarHBondContact OE1-NH2 2.59Å; E937-R978 IonicContact OE2-CZ 3.51Å; E937-R978 IonicContact OE2-NH1 3.3Å; E937-R978 IonicContact OE2-NH2 3.75Å; E937-R978 PolarHBondContact OE2-NH2 2.78Å
938	I	82	Confident	78.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.1	-49.1	174	-67.5	173.7	0	0	0	110.3	L933 T934 Q935 S940 L941 F942 L947 L1090 I1093 L1094	L933-I938 HydrophobicContact CD2-CD1 4.3Å; L933-I938 HydrophobicContact CD2-CG1 3.56Å; L933-I938 HydrophobicContact CG-CG1 3.79Å; T934-I938 PolarHBondContact O-N 2.96Å; Q935-I938 PolarHBondContact O-N 2.89Å; I938-S940 PolarHBondContact O-N 2.97Å; I938-L941 PolarHBondContact O-N 3.35Å; I938-F942 PolarHBondContact O-N 3.33Å; I938-L947 HydrophobicContact CG2-CD1 4.49Å; I938-L1090 HydrophobicContact CD1-CD2 4.1Å; I938-L1090 HydrophobicContact CG1-CD2 4.26Å; I938-I1093 HydrophobicContact CD1-CB 4.11Å; I938-I1093 HydrophobicContact CD1-CG2 3.63Å; I938-L1094 HydrophobicContact CD1-CD2 4.37Å; I938-L1094 HydrophobicContact CD1-CG 4.39Å; I938-L1094 HydrophobicContact CG2-CD2 4.24Å
939	N	83.7	Confident	80.7	Confident	100 Å²	100	63.1 Å²	63.1	54%	0.535	36%	0.357	S	S	.	.	H	α-helix	trans	-70.7	-18.6	-179.2	-64.5	-31.7	0	0	0	113.4	Q935 E937	Q935-N939 VanDerWaalsContact O-CG 3.28Å; Q935-N939 PolarHBondContact O-N 3.05Å; Q935-N939 PolarHBondContact O-ND2 2.68Å; Q935-N939 VanDerWaalsContact O-ND2 3.12Å; E937-N939 VanDerWaalsContact C-N 3.35Å; E937-N939 PolarHBondContact O-N 3.42Å
940	S	86.7	Confident	82.5	Confident	100 Å²	100	56.9 Å²	56.9	70%	0.699	33%	0.325	S	S	*	.	H	α-helix	trans	-83.6	-35.5	172	-176.5	0	0	0	0	112.2	S936 E937 I938	S936-S940 WeakPolarHBondContact O-CB 3.49Å; S936-S940 PolarHBondContact O-N 3.44Å; E937-S940 PolarHBondContact O-N 3.08Å; I938-S940 PolarHBondContact O-N 2.97Å
941	L	84.6	Confident	84.1	Confident	60 Å²	60	59.5 Å²	59.5	31%	0.314	33%	0.331	S	S	.	.	H	α-helix	trans	-88.1	-21.7	-177.3	-68.2	169.4	0	0	0	114.1	L933 E937 I938 R969 I973	L933-L941 HydrophobicContact CD1-CD1 4Å; E937-L941 VanDerWaalsContact O-CB 3.31Å; E937-L941 WeakPolarHBondContact O-CB 3.36Å; E937-L941 VanDerWaalsContact O-CG 3.23Å; E937-L941 WeakPolarHBondContact O-CG 3.41Å; E937-L941 PolarHBondContact O-N 2.91Å; I938-L941 PolarHBondContact O-N 3.35Å; L941-R969 WeakPolarHBondContact O-CD 3.47Å; L941-R969 PolarHBondContact O-NH1 3Å; L941-I973 HydrophobicContact CD1-CD1 4.04Å; L941-I973 HydrophobicContact CD1-CG1 4.42Å
942	F	88.9	Confident	85.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	32%	0.321	C	S	.	.	S	Bend	trans	-138.9	128.4	179.1	-59.5	-79.2	0	0	0	110.8	I938 D946 L947 L950 L966 R969 L970 I973	I938-F942 PolarHBondContact O-N 3.33Å; F942-D946 HydrophobicContact CB-CB 4.34Å; F942-D946 HydrophobicContact CD1-CB 4.48Å; F942-L947 HydrophobicContact CB-CD2 3.87Å; F942-L947 HydrophobicContact CB-CG 4.05Å; F942-L947 HydrophobicContact CG-CD2 4.22Å; F942-L950 HydrophobicContact CD1-CD1 4.46Å; F942-L966 HydrophobicContact CD1-CD2 4.48Å; F942-R969 HydrophobicContact CE1-CB 3.94Å; F942-R969 HydrophobicContact CZ-CB 3.91Å; F942-L970 HydrophobicContact CE1-CD2 4.16Å; F942-L970 HydrophobicContact CE1-CG 4.27Å; F942-L970 HydrophobicContact CE2-CD2 4.45Å; F942-L970 HydrophobicContact CZ-CD2 3.66Å; F942-L970 HydrophobicContact CZ-CG 4.09Å; F942-I973 HydrophobicContact CE2-CD1 3.59Å; F942-I973 HydrophobicContact CZ-CD1 3.81Å
943	N	88.9	Confident	86.3	Confident	103 Å²	103	55 Å²	55	55%	0.551	30%	0.3	S	S	*	.			trans	-70.2	159.7	170.6	-57.2	-63.5	0	0	0	110.1	V945 D946 L947	N943-V945 PolarHBondContact O-N 3.36Å; N943-V945 VanDerWaalsContact O-N 3.16Å; N943-D946 VanDerWaalsContact CB-OD2 3.27Å; N943-D946 WeakPolarHBondContact CB-OD2 3.13Å; N943-D946 PolarHBondContact N-OD2 2.68Å; N943-D946 PolarHBondContact ND2-OD2 3.1Å; N943-D946 WeakPolarHBondContact O-CA 3.49Å; N943-D946 WeakPolarHBondContact O-CB 3.22Å; N943-D946 PolarHBondContact O-N 3.48Å; N943-L947 PolarHBondContact O-N 3.02Å; N943-L947 VanDerWaalsContact O-N 3.1Å
944	A	88	Confident	86.8	Confident	83 Å²	83	56.1 Å²	56.1	69%	0.686	31%	0.308	S	S	*	.	H	α-helix	trans	-55.4	-34.7	173.1	0	0	0	0	0	112.6	E948	A944-E948 PolarHBondContact O-N 2.87Å; A944-E948 VanDerWaalsContact O-N 3.11Å
945	V	91.5	Very high	87.4	Confident	100 Å²	100	61.1 Å²	61.1	61%	0.606	32%	0.32	S	S	*	.	H	α-helix	trans	-64.9	-37.3	173.7	-177.1	0	0	0	0	111.8	N943 E948 R949	N943-V945 PolarHBondContact O-N 3.36Å; N943-V945 VanDerWaalsContact O-N 3.16Å; V945-E948 PolarHBondContact O-N 2.93Å; V945-R949 HydrophobicContact CG1-CG 4.38Å; V945-R949 WeakPolarHBondContact O-CB 3.5Å; V945-R949 WeakPolarHBondContact O-CG 3.38Å; V945-R949 PolarHBondContact O-N 2.86Å
946	D	91.8	Very high	87.8	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.064	34%	0.344	C	S	.	.	H	α-helix	trans	-71	-40.4	-179.8	-60.8	-39.7	0	0	0	111.7	F942 N943 E948 R949 L950 L966	F942-D946 HydrophobicContact CB-CB 4.34Å; F942-D946 HydrophobicContact CD1-CB 4.48Å; N943-D946 VanDerWaalsContact CB-OD2 3.27Å; N943-D946 WeakPolarHBondContact CB-OD2 3.13Å; N943-D946 PolarHBondContact N-OD2 2.68Å; N943-D946 PolarHBondContact ND2-OD2 3.1Å; N943-D946 WeakPolarHBondContact O-CA 3.49Å; N943-D946 WeakPolarHBondContact O-CB 3.22Å; N943-D946 PolarHBondContact O-N 3.48Å; D946-E948 VanDerWaalsContact C-N 3.3Å; D946-E948 PolarHBondContact O-N 3.32Å; D946-R949 PolarHBondContact O-N 3.31Å; D946-R949 IonicContact OD1-CZ 3.3Å; D946-R949 IonicContact OD1-NH1 3.66Å; D946-R949 PolarHBondContact OD1-NH1 2.82Å; D946-L950 WeakPolarHBondContact O-CB 3.46Å; D946-L950 VanDerWaalsContact O-CG 3.25Å; D946-L950 WeakPolarHBondContact O-CG 3.28Å; D946-L950 PolarHBondContact O-N 2.99Å; D946-L966 HydrophobicContact CB-CD1 3.77Å; D946-L966 HydrophobicContact CB-CD2 3.82Å; D946-L966 HydrophobicContact CB-CG 4.47Å
947	L	89.7	Confident	88.3	Confident	18 Å²	18	65.9 Å²	65.9	9%	0.094	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-37.9	171.9	-63.1	177.6	0	0	0	111.7	I938 F942 N943 R951 L1094	I938-L947 HydrophobicContact CG2-CD1 4.49Å; F942-L947 HydrophobicContact CB-CD2 3.87Å; F942-L947 HydrophobicContact CB-CG 4.05Å; F942-L947 HydrophobicContact CG-CD2 4.22Å; N943-L947 PolarHBondContact O-N 3.02Å; N943-L947 VanDerWaalsContact O-N 3.1Å; L947-R951 WeakPolarHBondContact O-CG 3.24Å; L947-R951 PolarHBondContact O-N 3.28Å; L947-L1094 HydrophobicContact CD1-CD1 4.23Å
948	E	89.7	Confident	88.4	Confident	58 Å²	58	64.6 Å²	64.6	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-73.1	-38.3	176.1	179.6	55.9	-163.3	0	0	112.8	A944 V945 D946 L950 R951 R952	A944-E948 PolarHBondContact O-N 2.87Å; A944-E948 VanDerWaalsContact O-N 3.11Å; V945-E948 PolarHBondContact O-N 2.93Å; D946-E948 VanDerWaalsContact C-N 3.3Å; D946-E948 PolarHBondContact O-N 3.32Å; E948-L950 VanDerWaalsContact C-N 3.31Å; E948-L950 PolarHBondContact O-N 3.28Å; E948-R951 PolarHBondContact O-N 2.89Å; E948-R952 WeakPolarHBondContact O-CG 3.47Å; E948-R952 PolarHBondContact O-N 3.45Å; E948-R952 IonicContact OE1-CZ 2.77Å; E948-R952 IonicContact OE1-NE 3.41Å; E948-R952 PolarHBondContact OE1-NE 3.46Å; E948-R952 IonicContact OE1-NH2 3.52Å; E948-R952 PolarHBondContact OE1-NH2 2.95Å
949	R	91.9	Very high	88.7	Confident	58 Å²	58	70.2 Å²	70.2	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-56.3	-46	170.2	-73	162.8	63.7	-161.6	7.3	110.9	V945 D946 R952 Y953 L962 D965 L966	V945-R949 HydrophobicContact CG1-CG 4.38Å; V945-R949 WeakPolarHBondContact O-CB 3.5Å; V945-R949 WeakPolarHBondContact O-CG 3.38Å; V945-R949 PolarHBondContact O-N 2.86Å; D946-R949 PolarHBondContact O-N 3.31Å; D946-R949 IonicContact OD1-CZ 3.3Å; D946-R949 IonicContact OD1-NH1 3.66Å; D946-R949 PolarHBondContact OD1-NH1 2.82Å; R949-R952 PolarHBondContact O-N 3.23Å; R949-Y953 PolarHBondContact O-N 3.46Å; R949-L962 PolarHBondContact NE-O 3.15Å; R949-L962 PolarHBondContact NH2-O 2.95Å; R949-D965 IonicContact CZ-OD1 3.63Å; R949-D965 IonicContact CZ-OD2 2.86Å; R949-D965 VanDerWaalsContact CZ-OD2 3.28Å; R949-D965 IonicContact NH1-OD2 2.67Å; R949-D965 PolarHBondContact NH1-OD2 3.48Å; R949-D965 IonicContact NH2-OD1 3.42Å; R949-D965 PolarHBondContact NH2-OD1 3.11Å; R949-D965 IonicContact NH2-OD2 2.93Å; R949-D965 PolarHBondContact NH2-OD2 3.39Å; R949-L966 HydrophobicContact CB-CD1 4.5Å
950	L	91	Very high	88.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-46.1	175	-72.8	169.2	0	0	0	112	F942 D946 E948 R952 Y953 S954 V963 L966 L970 V1083 I1087	F942-L950 HydrophobicContact CD1-CD1 4.46Å; D946-L950 WeakPolarHBondContact O-CB 3.46Å; D946-L950 VanDerWaalsContact O-CG 3.25Å; D946-L950 WeakPolarHBondContact O-CG 3.28Å; D946-L950 PolarHBondContact O-N 2.99Å; E948-L950 VanDerWaalsContact C-N 3.31Å; E948-L950 PolarHBondContact O-N 3.28Å; L950-R952 PolarHBondContact O-N 3.47Å; L950-Y953 PolarHBondContact O-N 3.19Å; L950-S954 PolarHBondContact O-N 3.2Å; L950-V963 HydrophobicContact CD2-CG1 3.67Å; L950-V963 HydrophobicContact CD2-CG2 4.4Å; L950-L966 HydrophobicContact CD1-CD1 4.09Å; L950-L966 HydrophobicContact CD2-CB 4.45Å; L950-L966 HydrophobicContact CD2-CD1 4.15Å; L950-L966 HydrophobicContact CG-CD1 3.77Å; L950-L970 HydrophobicContact CD1-CD1 4.39Å; L950-L970 HydrophobicContact CD2-CD1 3.85Å; L950-V1083 HydrophobicContact CD2-CG1 3.78Å; L950-I1087 VanDerWaalsContact C-CD1 3.46Å; L950-I1087 HydrophobicContact CB-CD1 3.83Å; L950-I1087 HydrophobicContact CB-CG1 3.99Å; L950-I1087 WeakPolarHBondContact O-CD1 3.48Å
951	R	90.6	Very high	88.9	Confident	78 Å²	78	69.1 Å²	69.1	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-34.8	176.1	-74.2	175.7	-174.3	140.5	2.4	113.5	L947 E948 S954 R955 I1087 D1091	L947-R951 WeakPolarHBondContact O-CG 3.24Å; L947-R951 PolarHBondContact O-N 3.28Å; E948-R951 PolarHBondContact O-N 2.89Å; R951-S954 PolarHBondContact O-OG 3.05Å; R951-R955 WeakPolarHBondContact O-CG 3.5Å; R951-R955 PolarHBondContact O-N 2.89Å; R951-I1087 HydrophobicContact CG-CG2 4.16Å; R951-D1091 IonicContact CZ-OD1 2.77Å; R951-D1091 IonicContact NE-OD1 3.78Å; R951-D1091 IonicContact NE-OD2 3.28Å; R951-D1091 IonicContact NH2-OD1 3.34Å; R951-D1091 PolarHBondContact NH2-OD1 2.97Å
952	R	91.3	Very high	89.1	Confident	126 Å²	126	71 Å²	71	48%	0.475	36%	0.362	S	S	.	.	H	α-helix	trans	-69.5	-38.6	173.6	-69.9	176.6	-174	-157.9	1.5	111.7	E948 R949 L950 R955 S956 L957 V958	E948-R952 WeakPolarHBondContact O-CG 3.47Å; E948-R952 PolarHBondContact O-N 3.45Å; E948-R952 IonicContact OE1-CZ 2.77Å; E948-R952 IonicContact OE1-NE 3.41Å; E948-R952 PolarHBondContact OE1-NE 3.46Å; E948-R952 IonicContact OE1-NH2 3.52Å; E948-R952 PolarHBondContact OE1-NH2 2.95Å; R949-R952 PolarHBondContact O-N 3.23Å; L950-R952 PolarHBondContact O-N 3.47Å; R952-R955 CarbonylContact O-C 3.47Å; R952-R955 PolarHBondContact O-N 2.9Å; R952-S956 PolarHBondContact O-N 3.21Å; R952-L957 HydrophobicContact CB-CB 4.38Å; R952-L957 PolarHBondContact O-N 3.47Å; R952-V958 HydrophobicContact CB-CB 4.26Å; R952-V958 HydrophobicContact CB-CG2 3.57Å
953	Y	90.8	Very high	89	Confident	14 Å²	14	71 Å²	71	6%	0.055	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-41.2	173.2	-176	-99.5	0	0	0	112.5	R949 L950 R955 S956 V958 F960 V963 F1080 V1083	R949-Y953 PolarHBondContact O-N 3.46Å; L950-Y953 PolarHBondContact O-N 3.19Å; Y953-R955 PolarHBondContact O-N 2.8Å; Y953-S956 WeakPolarHBondContact O-CA 3.35Å; Y953-S956 PolarHBondContact O-N 2.8Å; Y953-V958 VanDerWaalsContact CD2-O 3.27Å; Y953-V958 WeakPolarHBondContact CD2-O 3.14Å; Y953-F960 HydrophobicContact CE2-CB 4.14Å; Y953-V963 HydrophobicContact CD1-CG2 4.41Å; Y953-V963 HydrophobicContact CD2-CB 4.47Å; Y953-V963 HydrophobicContact CD2-CG2 4.02Å; Y953-V963 HydrophobicContact CG-CB 4.4Å; Y953-V963 HydrophobicContact CG-CG2 3.76Å; Y953-F1080 HydrophobicContact CE1-CB 4.49Å; Y953-F1080 WeakPolarHBondContact O-CD2 3.17Å; Y953-F1080 WeakPolarHBondContact O-CE2 3.37Å; Y953-V1083 HydrophobicContact CD1-CB 3.92Å; Y953-V1083 HydrophobicContact CD1-CG1 3.67Å; Y953-V1083 HydrophobicContact CD1-CG2 4.27Å; Y953-V1083 HydrophobicContact CE1-CB 3.91Å; Y953-V1083 HydrophobicContact CE1-CG1 4.18Å; Y953-V1083 HydrophobicContact CE1-CG2 3.97Å
954	S	87.9	Confident	89	Confident	27 Å²	27	69.5 Å²	69.5	19%	0.189	35%	0.354	C	S	.	.	H	α-helix	trans	-72.6	-10.2	175.4	69.2	0	0	0	0	114.7	L950 R951 F1080	L950-S954 PolarHBondContact O-N 3.2Å; R951-S954 PolarHBondContact O-OG 3.05Å; S954-F1080 VanDerWaalsContact O-CZ 3.31Å; S954-F1080 WeakPolarHBondContact O-CZ 3.43Å
955	R	88.4	Confident	89.1	Confident	168 Å²	168	69.5 Å²	69.5	63%	0.634	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	2.8	165.2	-68.2	173.5	178.5	174.8	-0.3	113.3	R951 R952 Y953 L957	R951-R955 WeakPolarHBondContact O-CG 3.5Å; R951-R955 PolarHBondContact O-N 2.89Å; R952-R955 CarbonylContact O-C 3.47Å; R952-R955 PolarHBondContact O-N 2.9Å; Y953-R955 PolarHBondContact O-N 2.8Å; R955-L957 HydrophobicContact CB-CD1 3.92Å; R955-L957 HydrophobicContact CB-CG 3.89Å; R955-L957 PolarHBondContact O-N 3.38Å
956	S	85.6	Confident	89.1	Confident	90 Å²	90	64.9 Å²	64.9	63%	0.629	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	25	-176.5	-163.1	0	0	0	0	114.9	R952 Y953	R952-S956 PolarHBondContact O-N 3.21Å; Y953-S956 WeakPolarHBondContact O-CA 3.35Å; Y953-S956 PolarHBondContact O-N 2.8Å
957	L	88.8	Confident	89.1	Confident	125 Å²	125	64.4 Å²	64.4	65%	0.654	31%	0.312	S	S	*	.			trans	-91.1	-1.1	-179	-59.6	175.1	0	0	0	113.7	R952 R955	R952-L957 HydrophobicContact CB-CB 4.38Å; R952-L957 PolarHBondContact O-N 3.47Å; R955-L957 HydrophobicContact CB-CD1 3.92Å; R955-L957 HydrophobicContact CB-CG 3.89Å; R955-L957 PolarHBondContact O-N 3.38Å
958	V	85.8	Confident	89.2	Confident	34 Å²	34	64.7 Å²	64.7	21%	0.206	32%	0.315	C	S	.	.	S	Bend	trans	-145.1	138.8	-167.5	161.3	0	0	0	0	109.2	R952 Y953 L962	R952-V958 HydrophobicContact CB-CB 4.26Å; R952-V958 HydrophobicContact CB-CG2 3.57Å; Y953-V958 VanDerWaalsContact CD2-O 3.27Å; Y953-V958 WeakPolarHBondContact CD2-O 3.14Å; V958-L962 HydrophobicContact CG1-CB 3.57Å; V958-L962 HydrophobicContact CG1-CD1 3.97Å; V958-L962 HydrophobicContact CG1-CG 4.42Å
959	D	87.1	Confident	89.1	Confident	117 Å²	117	67 Å²	67	63%	0.626	32%	0.321	S	S	*	.			trans	-70.7	151	176.7	-82.2	-25.2	0	0	0	113.2	H961 L962	D959-H961 PolarHBondContact O-N 2.96Å; D959-H961 VanDerWaalsContact O-N 3.1Å; D959-L962 PolarHBondContact O-N 2.89Å
960	F	85.7	Confident	89.1	Confident	31 Å²	31	64.2 Å²	64.2	14%	0.136	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-48.9	-37.9	174.9	154.8	-111.1	0	0	0	113.7	Y953 L962 V963 N964 M995 V1002 L1076 L1079	Y953-F960 HydrophobicContact CE2-CB 4.14Å; F960-L962 PolarHBondContact O-N 3.24Å; F960-L962 VanDerWaalsContact O-N 3.12Å; F960-V963 PolarHBondContact O-N 2.86Å; F960-N964 HydrophobicContact CD2-CB 4.44Å; F960-N964 HydrophobicContact CE2-CB 3.72Å; F960-N964 WeakPolarHBondContact CE2-OD1 3.49Å; F960-N964 HydrophobicContact CZ-CB 3.77Å; F960-N964 WeakPolarHBondContact CZ-OD1 3.32Å; F960-N964 PolarHBondContact O-N 3.32Å; F960-N964 VanDerWaalsContact O-N 3.09Å; F960-M995 HydrophobicContact CD2-CE 4.27Å; F960-M995 HydrophobicContact CE1-CE 4.13Å; F960-M995 HydrophobicContact CE2-CE 3.34Å; F960-M995 HydrophobicContact CZ-CE 3.24Å; F960-V1002 HydrophobicContact CE1-CG2 4.22Å; F960-L1076 HydrophobicContact CB-CD2 4.06Å; F960-L1076 HydrophobicContact CD1-CD2 4.02Å; F960-L1076 HydrophobicContact CG-CD2 3.95Å; F960-L1079 HydrophobicContact CD2-CD2 3.4Å; F960-L1079 VanDerWaalsContact CD2-CD2 3.4Å; F960-L1079 HydrophobicContact CE2-CD2 3.63Å; F960-L1079 HydrophobicContact CG-CD2 4.32Å
961	H	88.2	Confident	89.1	Confident	147 Å²	147	64.1 Å²	64.1	68%	0.681	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.2	-179.6	-57.7	113.4	0	0	0	113.4	D959 V963	D959-H961 PolarHBondContact O-N 2.96Å; D959-H961 VanDerWaalsContact O-N 3.1Å; H961-V963 VanDerWaalsContact C-N 3.32Å
962	L	88.6	Confident	89.1	Confident	98 Å²	98	63.6 Å²	63.6	51%	0.513	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-87	6.7	178.2	-74	167.9	0	0	0	114	R949 V958 D959 F960	R949-L962 PolarHBondContact NE-O 3.15Å; R949-L962 PolarHBondContact NH2-O 2.95Å; V958-L962 HydrophobicContact CG1-CB 3.57Å; V958-L962 HydrophobicContact CG1-CD1 3.97Å; V958-L962 HydrophobicContact CG1-CG 4.42Å; D959-L962 PolarHBondContact O-N 2.89Å; F960-L962 PolarHBondContact O-N 3.24Å; F960-L962 VanDerWaalsContact O-N 3.12Å
963	V	88.6	Confident	88.9	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-13.6	174.6	169.9	0	0	0	0	112.8	L950 Y953 F960 H961 D965 L966 L967 V1083	L950-V963 HydrophobicContact CD2-CG1 3.67Å; L950-V963 HydrophobicContact CD2-CG2 4.4Å; Y953-V963 HydrophobicContact CD1-CG2 4.41Å; Y953-V963 HydrophobicContact CD2-CB 4.47Å; Y953-V963 HydrophobicContact CD2-CG2 4.02Å; Y953-V963 HydrophobicContact CG-CB 4.4Å; Y953-V963 HydrophobicContact CG-CG2 3.76Å; F960-V963 PolarHBondContact O-N 2.86Å; H961-V963 VanDerWaalsContact C-N 3.32Å; V963-D965 PolarHBondContact O-N 2.97Å; V963-L966 PolarHBondContact O-N 3.06Å; V963-L967 PolarHBondContact O-N 3.34Å; V963-V1083 HydrophobicContact CG1-CG2 4.44Å
964	N	88.2	Confident	88.9	Confident	72 Å²	72	58.8 Å²	58.8	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.1	-176.2	-172.5	53.9	0	0	0	114.2	F960 P968	F960-N964 HydrophobicContact CD2-CB 4.44Å; F960-N964 HydrophobicContact CE2-CB 3.72Å; F960-N964 WeakPolarHBondContact CE2-OD1 3.49Å; F960-N964 HydrophobicContact CZ-CB 3.77Å; F960-N964 WeakPolarHBondContact CZ-OD1 3.32Å; F960-N964 PolarHBondContact O-N 3.32Å; F960-N964 VanDerWaalsContact O-N 3.09Å; N964-P968 VanDerWaalsContact O-CD 3.29Å; N964-P968 WeakPolarHBondContact O-CD 3.38Å
965	D	90.7	Very high	88.9	Confident	82 Å²	82	58.4 Å²	58.4	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.9	173.3	61.1	-44.8	0	0	0	113.8	R949 V963	R949-D965 IonicContact CZ-OD1 3.63Å; R949-D965 IonicContact CZ-OD2 2.86Å; R949-D965 VanDerWaalsContact CZ-OD2 3.28Å; R949-D965 IonicContact NH1-OD2 2.67Å; R949-D965 PolarHBondContact NH1-OD2 3.48Å; R949-D965 IonicContact NH2-OD1 3.42Å; R949-D965 PolarHBondContact NH2-OD1 3.11Å; R949-D965 IonicContact NH2-OD2 2.93Å; R949-D965 PolarHBondContact NH2-OD2 3.39Å; V963-D965 PolarHBondContact O-N 2.97Å
966	L	91.5	Very high	88.7	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-21.9	178.7	-56.8	178.4	0	0	0	112.2	F942 D946 R949 L950 V963 R969 L970	F942-L966 HydrophobicContact CD1-CD2 4.48Å; D946-L966 HydrophobicContact CB-CD1 3.77Å; D946-L966 HydrophobicContact CB-CD2 3.82Å; D946-L966 HydrophobicContact CB-CG 4.47Å; R949-L966 HydrophobicContact CB-CD1 4.5Å; L950-L966 HydrophobicContact CD1-CD1 4.09Å; L950-L966 HydrophobicContact CD2-CB 4.45Å; L950-L966 HydrophobicContact CD2-CD1 4.15Å; L950-L966 HydrophobicContact CG-CD1 3.77Å; V963-L966 PolarHBondContact O-N 3.06Å; L966-R969 PolarHBondContact O-N 3.32Å; L966-L970 PolarHBondContact O-N 3.46Å; L966-L970 VanDerWaalsContact O-N 3.14Å
967	L	91.1	Very high	88.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-38.4	-176.3	-167.2	67.6	0	0	0	114.1	V963 R969 L970 A971 L992 M995 L1079 V1083	V963-L967 PolarHBondContact O-N 3.34Å; L967-R969 PolarHBondContact O-N 3.19Å; L967-L970 PolarHBondContact O-N 3.29Å; L967-A971 WeakPolarHBondContact O-CB 3.4Å; L967-A971 PolarHBondContact O-N 3.47Å; L967-L992 HydrophobicContact CD1-CD1 3.64Å; L967-L992 HydrophobicContact CG-CD1 4.2Å; L967-M995 HydrophobicContact CD2-CB 3.48Å; L967-M995 VanDerWaalsContact CD2-CB 3.48Å; L967-M995 HydrophobicContact CD2-CE 4.35Å; L967-L1079 HydrophobicContact CD1-CD1 3.88Å; L967-L1079 HydrophobicContact CD2-CD1 3.92Å; L967-V1083 HydrophobicContact CD1-CG2 4.4Å
968	P	91.6	Very high	88.2	Confident	24 Å²	24	48.2 Å²	48.2	16%	0.156	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-39.4	173.3	-26.3	36.3	0	0	0	113.7	N964 A971 Q972 G996	N964-P968 VanDerWaalsContact O-CD 3.29Å; N964-P968 WeakPolarHBondContact O-CD 3.38Å; P968-A971 PolarHBondContact O-N 2.99Å; P968-Q972 WeakPolarHBondContact O-CB 3.47Å; P968-Q972 VanDerWaalsContact O-CG 3.26Å; P968-Q972 WeakPolarHBondContact O-CG 3.26Å; P968-Q972 PolarHBondContact O-N 3.42Å; P968-G996 VanDerWaalsContact CA-O 3.24Å; P968-G996 WeakPolarHBondContact CA-O 3.19Å; P968-G996 VanDerWaalsContact CB-O 3.29Å; P968-G996 WeakPolarHBondContact CB-O 3.5Å
969	R	88.9	Confident	87.8	Confident	106 Å²	106	46.9 Å²	46.9	40%	0.4	22%	0.221	S	C	.	.	H	α-helix	trans	-64.5	-47	176.5	-62.5	-173.2	-175	-179.9	3.5	110.7	L941 F942 L966 L967 A971 Q972 I973	L941-R969 WeakPolarHBondContact O-CD 3.47Å; L941-R969 PolarHBondContact O-NH1 3Å; F942-R969 HydrophobicContact CE1-CB 3.94Å; F942-R969 HydrophobicContact CZ-CB 3.91Å; L966-R969 PolarHBondContact O-N 3.32Å; L967-R969 PolarHBondContact O-N 3.19Å; R969-A971 VanDerWaalsContact C-N 3.34Å; R969-A971 PolarHBondContact O-N 2.71Å; R969-Q972 PolarHBondContact O-N 3.43Å; R969-I973 WeakPolarHBondContact O-CD1 3.4Å; R969-I973 VanDerWaalsContact O-CG1 3.22Å; R969-I973 WeakPolarHBondContact O-CG1 3.38Å; R969-I973 PolarHBondContact O-N 3.4Å
970	L	90.6	Very high	87	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-42.6	175.6	-67.2	172.5	0	0	0	112.1	F942 L950 L966 L967 Y974 H1086 L1090	F942-L970 HydrophobicContact CE1-CD2 4.16Å; F942-L970 HydrophobicContact CE1-CG 4.27Å; F942-L970 HydrophobicContact CE2-CD2 4.45Å; F942-L970 HydrophobicContact CZ-CD2 3.66Å; F942-L970 HydrophobicContact CZ-CG 4.09Å; L950-L970 HydrophobicContact CD1-CD1 4.39Å; L950-L970 HydrophobicContact CD2-CD1 3.85Å; L966-L970 PolarHBondContact O-N 3.46Å; L966-L970 VanDerWaalsContact O-N 3.14Å; L967-L970 PolarHBondContact O-N 3.29Å; L970-Y974 VanDerWaalsContact O-CB 3.32Å; L970-Y974 WeakPolarHBondContact O-CB 3.28Å; L970-Y974 PolarHBondContact O-N 3.08Å; L970-H1086 HydrophobicContact CD2-CB 4.23Å; L970-L1090 HydrophobicContact CD2-CD1 4.02Å
971	A	91.3	Very high	86.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-44.3	177.2	0	0	0	0	0	112.4	L967 P968 R969 Y974 F975 L992 L997	L967-A971 WeakPolarHBondContact O-CB 3.4Å; L967-A971 PolarHBondContact O-N 3.47Å; P968-A971 PolarHBondContact O-N 2.99Å; R969-A971 VanDerWaalsContact C-N 3.34Å; R969-A971 PolarHBondContact O-N 2.71Å; A971-Y974 PolarHBondContact O-N 2.89Å; A971-F975 HydrophobicContact CB-CD2 4.43Å; A971-F975 WeakPolarHBondContact O-CD2 3.3Å; A971-F975 PolarHBondContact O-N 3.31Å; A971-L992 HydrophobicContact CB-CD1 3.74Å; A971-L992 HydrophobicContact CB-CG 3.85Å; A971-L997 HydrophobicContact CB-CD2 3.89Å; A971-L997 HydrophobicContact CB-CG 4.03Å
972	Q	90.6	Very high	86.1	Confident	66 Å²	66	41.5 Å²	41.5	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-51.2	176.3	-75.8	174.4	-1.6	0	0	111.4	I901 P968 R969 Y974 F975 Q976 L997	I901-Q972 HydrophobicContact CG2-CG 3.9Å; P968-Q972 WeakPolarHBondContact O-CB 3.47Å; P968-Q972 VanDerWaalsContact O-CG 3.26Å; P968-Q972 WeakPolarHBondContact O-CG 3.26Å; P968-Q972 PolarHBondContact O-N 3.42Å; R969-Q972 PolarHBondContact O-N 3.43Å; Q972-Y974 VanDerWaalsContact C-N 3.28Å; Q972-Y974 PolarHBondContact O-N 2.96Å; Q972-F975 PolarHBondContact O-N 3.09Å; Q972-Q976 VanDerWaalsContact O-CB 3.26Å; Q972-Q976 WeakPolarHBondContact O-CB 3.48Å; Q972-Q976 WeakPolarHBondContact O-CG 3.42Å; Q972-Q976 PolarHBondContact O-N 3.19Å; Q972-L997 HydrophobicContact CG-CD2 3.81Å
973	I	88	Confident	85.9	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-41.1	178.5	-64.2	164.8	0	0	0	110.8	L933 L941 F942 R969 R977 R978 L979	L933-I973 HydrophobicContact CD2-CD1 4.24Å; L933-I973 HydrophobicContact CD2-CG2 4Å; L941-I973 HydrophobicContact CD1-CD1 4.04Å; L941-I973 HydrophobicContact CD1-CG1 4.42Å; F942-I973 HydrophobicContact CE2-CD1 3.59Å; F942-I973 HydrophobicContact CZ-CD1 3.81Å; R969-I973 WeakPolarHBondContact O-CD1 3.4Å; R969-I973 VanDerWaalsContact O-CG1 3.22Å; R969-I973 WeakPolarHBondContact O-CG1 3.38Å; R969-I973 PolarHBondContact O-N 3.4Å; I973-R977 PolarHBondContact O-N 3.23Å; I973-R978 HydrophobicContact CG2-CB 4.08Å; I973-R978 PolarHBondContact O-N 3.05Å; I973-R978 VanDerWaalsContact O-N 3.15Å; I973-L979 HydrophobicContact CG2-CD1 3.64Å; I973-L979 HydrophobicContact CG2-CG 3.68Å
974	Y	89.5	Confident	85.7	Confident	32 Å²	32	48 Å²	48	13%	0.125	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-49.8	177.9	-176	-108.1	0	0	0	113.2	L970 A971 Q972 Q976 R977 V982 L984 Q989 L992 H1086	L970-Y974 VanDerWaalsContact O-CB 3.32Å; L970-Y974 WeakPolarHBondContact O-CB 3.28Å; L970-Y974 PolarHBondContact O-N 3.08Å; A971-Y974 PolarHBondContact O-N 2.89Å; Q972-Y974 VanDerWaalsContact C-N 3.28Å; Q972-Y974 PolarHBondContact O-N 2.96Å; Y974-Q976 VanDerWaalsContact C-N 3.34Å; Y974-R977 WeakPolarHBondContact O-CA 3.32Å; Y974-R977 PolarHBondContact O-N 3.28Å; Y974-V982 HydrophobicContact CD2-CB 4.2Å; Y974-V982 HydrophobicContact CD2-CG1 4.24Å; Y974-V982 HydrophobicContact CE2-CB 3.98Å; Y974-V982 HydrophobicContact CE2-CG1 3.98Å; Y974-V982 WeakPolarHBondContact CE2-O 3.45Å; Y974-L984 HydrophobicContact CD1-CD1 4.44Å; Y974-L984 HydrophobicContact CE1-CD1 4.02Å; Y974-L984 HydrophobicContact CE2-CD1 4.29Å; Y974-L984 HydrophobicContact CE2-CG 4.23Å; Y974-Q989 HydrophobicContact CE1-CG 4.03Å; Y974-Q989 PolarHBondContact OH-NE2 2.63Å; Y974-L992 HydrophobicContact CD1-CD2 3.63Å; Y974-L992 HydrophobicContact CE1-CD2 4.34Å; Y974-L992 HydrophobicContact CG-CD2 3.89Å; Y974-H1086 AromaticContact CD2-CE1 3.68Å; Y974-H1086 AromaticContact CG-CE1 3.87Å
975	F	88.1	Confident	85.8	Confident	20 Å²	20	49.6 Å²	49.6	9%	0.088	23%	0.23	C	C	.	.	H	α-helix	trans	-76.3	-21.6	-177.9	-71.5	-64	0	0	0	113.2	I901 L917 L920 A971 Q972 R977 L992 L993 L997	I901-F975 HydrophobicContact CD1-CB 3.8Å; I901-F975 HydrophobicContact CG1-CB 4.26Å; L917-F975 HydrophobicContact CD1-CE1 3.81Å; L917-F975 HydrophobicContact CD1-CZ 4.45Å; L920-F975 HydrophobicContact CD1-CB 4.22Å; L920-F975 HydrophobicContact CD1-CD1 3.66Å; L920-F975 HydrophobicContact CD1-CE1 4.2Å; L920-F975 HydrophobicContact CD1-CG 3.93Å; A971-F975 HydrophobicContact CB-CD2 4.43Å; A971-F975 WeakPolarHBondContact O-CD2 3.3Å; A971-F975 PolarHBondContact O-N 3.31Å; Q972-F975 PolarHBondContact O-N 3.09Å; F975-R977 PolarHBondContact O-N 2.91Å; F975-L992 HydrophobicContact CE2-CB 4.5Å; F975-L992 HydrophobicContact CE2-CD2 4.32Å; F975-L992 HydrophobicContact CE2-CG 4.15Å; F975-L993 HydrophobicContact CE1-CD1 4.47Å; F975-L993 HydrophobicContact CE2-CB 3.91Å; F975-L993 HydrophobicContact CE2-CG 4.46Å; F975-L993 HydrophobicContact CZ-CB 3.84Å; F975-L993 HydrophobicContact CZ-CD1 4.21Å; F975-L993 HydrophobicContact CZ-CG 4.48Å; F975-L997 HydrophobicContact CB-CD1 4.26Å; F975-L997 HydrophobicContact CD2-CD1 3.46Å; F975-L997 VanDerWaalsContact CD2-CD1 3.46Å; F975-L997 HydrophobicContact CD2-CG 4.04Å; F975-L997 HydrophobicContact CE2-CD1 4.11Å; F975-L997 HydrophobicContact CE2-CG 4.45Å; F975-L997 HydrophobicContact CG-CD1 4.06Å
976	Q	85.1	Confident	85.7	Confident	46 Å²	46	53 Å²	53	22%	0.215	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	0.2	162.3	-68.4	174.4	11.9	0	0	113.4	I901 S930 Q972 Y974 R978	I901-Q976 HydrophobicContact CD1-CG 3.98Å; S930-Q976 PolarHBondContact OG-O 2.71Å; S930-Q976 VanDerWaalsContact OG-O 3.11Å; Q972-Q976 VanDerWaalsContact O-CB 3.26Å; Q972-Q976 WeakPolarHBondContact O-CB 3.48Å; Q972-Q976 WeakPolarHBondContact O-CG 3.42Å; Q972-Q976 PolarHBondContact O-N 3.19Å; Y974-Q976 VanDerWaalsContact C-N 3.34Å; Q976-R978 VanDerWaalsContact C-N 3.26Å; Q976-R978 HydrophobicContact CB-CG 4.08Å; Q976-R978 PolarHBondContact O-N 3.01Å
977	R	80.1	Confident	85.5	Confident	86 Å²	86	55.1 Å²	55.1	33%	0.325	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	17.1	174.8	-52.7	177.2	-178.9	179.1	-3.4	116.4	M925 N926 I973 Y974 F975 L979	M925-R977 PolarHBondContact O-NH1 3.24Å; M925-R977 PolarHBondContact O-NH2 2.91Å; N926-R977 PolarHBondContact OD1-NH2 3.17Å; I973-R977 PolarHBondContact O-N 3.23Å; Y974-R977 WeakPolarHBondContact O-CA 3.32Å; Y974-R977 PolarHBondContact O-N 3.28Å; F975-R977 PolarHBondContact O-N 2.91Å; R977-L979 PolarHBondContact O-N 2.9Å; R977-L979 VanDerWaalsContact O-N 3.14Å
978	R	81.9	Confident	85.6	Confident	36 Å²	36	56.2 Å²	56.2	14%	0.136	26%	0.259	C	S	.	.			trans	-74.9	0.1	-177.7	-53.5	-163.3	66.9	-165.2	-5.9	114.8	N931 E932 L933 E937 I973 Q976	N931-R978 PolarHBondContact O-NE 3.41Å; N931-R978 PolarHBondContact O-NH2 3.38Å; E932-R978 PolarHBondContact O-NH2 2.67Å; L933-R978 HydrophobicContact CB-CB 4.47Å; L933-R978 PolarHBondContact N-O 2.92Å; E937-R978 VanDerWaalsContact CD-NH2 3.25Å; E937-R978 IonicContact OE1-CZ 3.63Å; E937-R978 VanDerWaalsContact OE1-CZ 3.27Å; E937-R978 IonicContact OE1-NH1 2.95Å; E937-R978 PolarHBondContact OE1-NH1 3.43Å; E937-R978 IonicContact OE1-NH2 2.67Å; E937-R978 PolarHBondContact OE1-NH2 2.59Å; E937-R978 IonicContact OE2-CZ 3.51Å; E937-R978 IonicContact OE2-NH1 3.3Å; E937-R978 IonicContact OE2-NH2 3.75Å; E937-R978 PolarHBondContact OE2-NH2 2.78Å; I973-R978 HydrophobicContact CG2-CB 4.08Å; I973-R978 PolarHBondContact O-N 3.05Å; I973-R978 VanDerWaalsContact O-N 3.15Å; Q976-R978 VanDerWaalsContact C-N 3.26Å; Q976-R978 HydrophobicContact CB-CG 4.08Å; Q976-R978 PolarHBondContact O-N 3.01Å
979	L	77.9	Confident	85.5	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	26%	0.261	C	S	.	.			trans	-126.5	74.4	177.4	-68.3	174	0	0	0	110.9	I973 R977 N981 V982 L1090 I1093	I973-L979 HydrophobicContact CG2-CD1 3.64Å; I973-L979 HydrophobicContact CG2-CG 3.68Å; R977-L979 PolarHBondContact O-N 2.9Å; R977-L979 VanDerWaalsContact O-N 3.14Å; L979-N981 PolarHBondContact O-N 3.4Å; L979-N981 VanDerWaalsContact O-N 3.15Å; L979-V982 HydrophobicContact CB-CG2 3.94Å; L979-V982 HydrophobicContact CD1-CG2 4.38Å; L979-V982 PolarHBondContact O-N 3.18Å; L979-L1090 HydrophobicContact CD2-CD2 4.25Å; L979-I1093 HydrophobicContact CD2-CD1 3.57Å
980	P	69.6	Low	85.7	Confident	71 Å²	71	52.5 Å²	52.5	46%	0.461	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21	-176.8	23.8	-32.6	0	0	0	114	E932 V982	E932-P980 HydrophobicContact CG-CG 4.31Å; E932-P980 VanDerWaalsContact OE1-CG 3.25Å; E932-P980 WeakPolarHBondContact OE1-CG 3.47Å; P980-V982 VanDerWaalsContact C-N 3.3Å; P980-V982 PolarHBondContact O-N 2.94Å
981	N	75.6	Confident	85.8	Confident	103 Å²	103	52.6 Å²	52.6	55%	0.551	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.2	178.2	-68	-25.2	0	0	0	113.9	L979 R983	L979-N981 PolarHBondContact O-N 3.4Å; L979-N981 VanDerWaalsContact O-N 3.15Å; N981-R983 PolarHBondContact O-N 3.38Å
982	V	80	Confident	85.8	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.055	25%	0.245	C	C	.	.			trans	-87.5	103.6	-170.7	-173.6	0	0	0	0	111.9	Y974 L979 P980 L984 E1085 S1089	Y974-V982 HydrophobicContact CD2-CB 4.2Å; Y974-V982 HydrophobicContact CD2-CG1 4.24Å; Y974-V982 HydrophobicContact CE2-CB 3.98Å; Y974-V982 HydrophobicContact CE2-CG1 3.98Å; Y974-V982 WeakPolarHBondContact CE2-O 3.45Å; L979-V982 HydrophobicContact CB-CG2 3.94Å; L979-V982 HydrophobicContact CD1-CG2 4.38Å; L979-V982 PolarHBondContact O-N 3.18Å; P980-V982 VanDerWaalsContact C-N 3.3Å; P980-V982 PolarHBondContact O-N 2.94Å; V982-L984 HydrophobicContact CG1-CD2 3.77Å; V982-L984 HydrophobicContact CG1-CG 3.83Å; V982-L984 PolarHBondContact O-N 2.93Å; V982-E1085 HydrophobicContact CG1-CB 4.21Å; V982-S1089 VanDerWaalsContact CG2-CB 3.43Å; V982-S1089 WeakPolarHBondContact CG2-OG 3.15Å
983	R	84	Confident	85.9	Confident	228 Å²	228	49.4 Å²	49.4	86%	0.86	23%	0.23	S	C	*	.			trans	-98.7	70.4	-178.8	-64.7	-175	178.8	-177	1.5	113	N981	N981-R983 PolarHBondContact O-N 3.38Å
984	L	86.2	Confident	86.1	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.047	23%	0.229	C	C	.	.			trans	-68.9	141.7	173	-56.4	-173.1	0	0	0	112.1	Y974 V982 Q988 Q989 L992 I1082 E1085	Y974-L984 HydrophobicContact CD1-CD1 4.44Å; Y974-L984 HydrophobicContact CE1-CD1 4.02Å; Y974-L984 HydrophobicContact CE2-CD1 4.29Å; Y974-L984 HydrophobicContact CE2-CG 4.23Å; V982-L984 HydrophobicContact CG1-CD2 3.77Å; V982-L984 HydrophobicContact CG1-CG 3.83Å; V982-L984 PolarHBondContact O-N 2.93Å; L984-Q988 HydrophobicContact CB-CB 4.03Å; L984-Q989 HydrophobicContact CB-CG 3.76Å; L984-Q989 PolarHBondContact O-NE2 3.12Å; L984-L992 HydrophobicContact CD1-CD2 3.66Å; L984-I1082 HydrophobicContact CD1-CG1 4.27Å; L984-I1082 HydrophobicContact CD1-CG2 4.02Å; L984-I1082 HydrophobicContact CD2-CB 4.37Å; L984-I1082 HydrophobicContact CD2-CG1 4.1Å; L984-I1082 HydrophobicContact CD2-CG2 4.35Å; L984-E1085 HydrophobicContact CD2-CB 4.4Å
985	N	89	Confident	86.2	Confident	105 Å²	105	47.9 Å²	47.9	56%	0.561	22%	0.224	S	C	*	.			trans	-67.6	156.5	167.1	-170.9	0.4	0	0	0	110.7	T987 Q988 Q989	N985-T987 VanDerWaalsContact C-N 3.3Å; N985-T987 PolarHBondContact O-N 3.37Å; N985-Q988 HydrophobicContact CB-CG 4.49Å; N985-Q988 CarbonylContact O-C 3.59Å; N985-Q988 WeakPolarHBondContact O-CA 3.43Å; N985-Q988 VanDerWaalsContact O-CB 3.29Å; N985-Q988 WeakPolarHBondContact O-CB 3.5Å; N985-Q988 PolarHBondContact O-N 3.27Å; N985-Q989 WeakPolarHBondContact O-CG 3.48Å; N985-Q989 PolarHBondContact O-N 3.28Å
986	K	88.3	Confident	86.3	Confident	154 Å²	154	47 Å²	47	67%	0.67	22%	0.22	S	C	*	.	H	α-helix	trans	-56.4	-40.3	-177.3	-66.7	-176.5	-178.5	178.7	0	113.4	Q988 Q989 V990	K986-Q988 VanDerWaalsContact C-N 3.3Å; K986-Q988 PolarHBondContact O-N 3.08Å; K986-Q989 WeakPolarHBondContact O-CB 3.5Å; K986-Q989 PolarHBondContact O-N 2.91Å; K986-V990 WeakPolarHBondContact O-CG2 3.25Å; K986-V990 PolarHBondContact O-N 3.26Å
987	T	89	Confident	86.6	Confident	49 Å²	49	44.9 Å²	44.9	30%	0.301	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-38.9	175.9	-45	0	0	0	0	111.5	N985 V990 I991 F1009 L1078	N985-T987 VanDerWaalsContact C-N 3.3Å; N985-T987 PolarHBondContact O-N 3.37Å; T987-V990 PolarHBondContact O-N 3.27Å; T987-I991 HydrophobicContact CG2-CD1 4.44Å; T987-I991 WeakPolarHBondContact O-CG1 3.25Å; T987-I991 PolarHBondContact O-N 3.01Å; T987-F1009 HydrophobicContact CG2-CE1 3.89Å; T987-F1009 HydrophobicContact CG2-CZ 3.89Å; T987-L1078 HydrophobicContact CG2-CD1 4.34Å
988	Q	91.4	Very high	87.2	Confident	24 Å²	24	40.8 Å²	40.8	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-40.5	175	-73.7	168.8	-32.9	0	0	111.7	L984 N985 K986 V990 I991 L992 L1078 I1082	L984-Q988 HydrophobicContact CB-CB 4.03Å; N985-Q988 HydrophobicContact CB-CG 4.49Å; N985-Q988 CarbonylContact O-C 3.59Å; N985-Q988 WeakPolarHBondContact O-CA 3.43Å; N985-Q988 VanDerWaalsContact O-CB 3.29Å; N985-Q988 WeakPolarHBondContact O-CB 3.5Å; N985-Q988 PolarHBondContact O-N 3.27Å; K986-Q988 VanDerWaalsContact C-N 3.3Å; K986-Q988 PolarHBondContact O-N 3.08Å; Q988-V990 VanDerWaalsContact C-N 3.34Å; Q988-V990 PolarHBondContact O-N 3.46Å; Q988-I991 PolarHBondContact O-N 3.33Å; Q988-L992 WeakPolarHBondContact O-CB 3.47Å; Q988-L992 PolarHBondContact O-N 2.89Å; Q988-L1078 HydrophobicContact CG-CB 4.47Å; Q988-L1078 HydrophobicContact CG-CD2 4.11Å; Q988-I1082 HydrophobicContact CB-CD1 3.7Å; Q988-I1082 HydrophobicContact CB-CG1 3.65Å; Q988-I1082 HydrophobicContact CG-CD1 4.04Å; Q988-I1082 HydrophobicContact CG-CG1 3.83Å; Q988-I1082 VanDerWaalsContact O-CD1 3.27Å; Q988-I1082 WeakPolarHBondContact O-CD1 3.5Å
989	Q	91.2	Very high	87.6	Confident	42 Å²	42	43.1 Å²	43.1	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-41.2	172.9	-62.4	173.2	11.1	0	0	111.5	L917 Y974 L984 N985 K986 L992 L993	L917-Q989 HydrophobicContact CD1-CB 3.95Å; L917-Q989 HydrophobicContact CD2-CB 3.7Å; Y974-Q989 HydrophobicContact CE1-CG 4.03Å; Y974-Q989 PolarHBondContact OH-NE2 2.63Å; L984-Q989 HydrophobicContact CB-CG 3.76Å; L984-Q989 PolarHBondContact O-NE2 3.12Å; N985-Q989 WeakPolarHBondContact O-CG 3.48Å; N985-Q989 PolarHBondContact O-N 3.28Å; K986-Q989 WeakPolarHBondContact O-CB 3.5Å; K986-Q989 PolarHBondContact O-N 2.91Å; Q989-L992 PolarHBondContact O-N 2.91Å; Q989-L993 WeakPolarHBondContact O-CB 3.44Å; Q989-L993 PolarHBondContact O-N 3.48Å
990	V	91.7	Very high	88.1	Confident	10 Å²	10	43.6 Å²	43.6	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-44.1	174.2	171.6	0	0	0	0	111.5	T914 L917 K986 T987 Q988 L993 C994 F1009	T914-V990 HydrophobicContact CG2-CG1 4.42Å; T914-V990 HydrophobicContact CG2-CG2 4.11Å; L917-V990 HydrophobicContact CB-CG2 4.25Å; L917-V990 HydrophobicContact CD2-CG2 3.65Å; K986-V990 WeakPolarHBondContact O-CG2 3.25Å; K986-V990 PolarHBondContact O-N 3.26Å; T987-V990 PolarHBondContact O-N 3.27Å; Q988-V990 VanDerWaalsContact C-N 3.34Å; Q988-V990 PolarHBondContact O-N 3.46Å; V990-L993 PolarHBondContact O-N 2.9Å; V990-C994 WeakPolarHBondContact O-CB 3.5Å; V990-C994 PolarHBondContact O-N 3.08Å; V990-C994 PolarHBondContact O-SG 2.86Å; V990-C994 VanDerWaalsContact O-SG 3.41Å; V990-F1009 HydrophobicContact CB-CZ 4.38Å; V990-F1009 HydrophobicContact CG1-CE1 4.44Å; V990-F1009 HydrophobicContact CG1-CZ 3.85Å
991	I	92.4	Very high	89.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-47.6	176.7	-70.6	164.5	0	0	0	110.9	T987 Q988 L993 C994 M995 F1009 I1075 L1078 L1079 I1082	T987-I991 HydrophobicContact CG2-CD1 4.44Å; T987-I991 WeakPolarHBondContact O-CG1 3.25Å; T987-I991 PolarHBondContact O-N 3.01Å; Q988-I991 PolarHBondContact O-N 3.33Å; I991-L993 VanDerWaalsContact C-N 3.3Å; I991-L993 PolarHBondContact O-N 3.47Å; I991-C994 PolarHBondContact O-N 3.33Å; I991-M995 HydrophobicContact CG2-CG 4.43Å; I991-M995 HydrophobicContact CG2-SD 3.82Å; I991-M995 WeakPolarHBondContact O-CB 3.34Å; I991-M995 WeakPolarHBondContact O-CG 3.47Å; I991-M995 PolarHBondContact O-N 3.22Å; I991-F1009 HydrophobicContact CD1-CE2 4.32Å; I991-F1009 HydrophobicContact CG1-CE2 3.75Å; I991-F1009 HydrophobicContact CG1-CZ 4.01Å; I991-I1075 HydrophobicContact CD1-CG1 4.42Å; I991-I1075 HydrophobicContact CD1-CG2 4.43Å; I991-I1075 HydrophobicContact CG1-CG2 4.43Å; I991-I1075 HydrophobicContact CG2-CG2 4.09Å; I991-L1078 HydrophobicContact CD1-CB 3.79Å; I991-L1078 HydrophobicContact CD1-CD1 3.64Å; I991-L1078 HydrophobicContact CD1-CG 4.38Å; I991-L1079 HydrophobicContact CG2-CD1 4.39Å; I991-I1082 HydrophobicContact CB-CD1 4.16Å; I991-I1082 HydrophobicContact CG2-CD1 4.02Å
992	L	92.4	Very high	89.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-36.4	177.7	-176.7	61.7	0	0	0	112.4	L967 A971 Y974 F975 L984 Q988 Q989 G996 I1082 H1086	L967-L992 HydrophobicContact CD1-CD1 3.64Å; L967-L992 HydrophobicContact CG-CD1 4.2Å; A971-L992 HydrophobicContact CB-CD1 3.74Å; A971-L992 HydrophobicContact CB-CG 3.85Å; Y974-L992 HydrophobicContact CD1-CD2 3.63Å; Y974-L992 HydrophobicContact CE1-CD2 4.34Å; Y974-L992 HydrophobicContact CG-CD2 3.89Å; F975-L992 HydrophobicContact CE2-CB 4.5Å; F975-L992 HydrophobicContact CE2-CD2 4.32Å; F975-L992 HydrophobicContact CE2-CG 4.15Å; L984-L992 HydrophobicContact CD1-CD2 3.66Å; Q988-L992 WeakPolarHBondContact O-CB 3.47Å; Q988-L992 PolarHBondContact O-N 2.89Å; Q989-L992 PolarHBondContact O-N 2.91Å; L992-G996 VanDerWaalsContact O-CA 3.28Å; L992-G996 WeakPolarHBondContact O-CA 3.35Å; L992-G996 PolarHBondContact O-N 3.24Å; L992-I1082 HydrophobicContact CB-CG2 4.5Å; L992-I1082 HydrophobicContact CD1-CG2 4.17Å; L992-I1082 HydrophobicContact CD2-CG2 4.33Å; L992-H1086 WeakPolarHBondContact CD2-NE2 3.44Å
993	L	93.1	Very high	90	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-69.2	-48.5	175.2	-170.5	149.5	0	0	0	111.8	F904 L917 L920 F975 Q989 V990 I991 L997 Q998	F904-L993 HydrophobicContact CD1-CD2 4.47Å; F904-L993 HydrophobicContact CE1-CD2 4.21Å; F904-L993 HydrophobicContact CZ-CD1 4.18Å; L917-L993 HydrophobicContact CB-CD1 4.23Å; L920-L993 HydrophobicContact CD1-CD1 3.73Å; F975-L993 HydrophobicContact CE1-CD1 4.47Å; F975-L993 HydrophobicContact CE2-CB 3.91Å; F975-L993 HydrophobicContact CE2-CG 4.46Å; F975-L993 HydrophobicContact CZ-CB 3.84Å; F975-L993 HydrophobicContact CZ-CD1 4.21Å; F975-L993 HydrophobicContact CZ-CG 4.48Å; Q989-L993 WeakPolarHBondContact O-CB 3.44Å; Q989-L993 PolarHBondContact O-N 3.48Å; V990-L993 PolarHBondContact O-N 2.9Å; I991-L993 VanDerWaalsContact C-N 3.3Å; I991-L993 PolarHBondContact O-N 3.47Å; L993-L997 CarbonylContact O-C 3.54Å; L993-L997 WeakPolarHBondContact O-CA 3.47Å; L993-L997 WeakPolarHBondContact O-CB 3.42Å; L993-L997 PolarHBondContact O-N 3.46Å; L993-Q998 HydrophobicContact CD2-CG 3.92Å; L993-Q998 PolarHBondContact O-N 2.95Å
994	C	91.9	Very high	90.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	19%	0.193	C	C	.	.	I	π-helix	trans	-63.7	-46	-179.3	-74	0	0	0	0	112.7	G913 V990 I991 Q998 H999 K1000 I1005	G913-C994 WeakPolarHBondContact CA-SG 3.49Å; V990-C994 WeakPolarHBondContact O-CB 3.5Å; V990-C994 PolarHBondContact O-N 3.08Å; V990-C994 PolarHBondContact O-SG 2.86Å; V990-C994 VanDerWaalsContact O-SG 3.41Å; I991-C994 PolarHBondContact O-N 3.33Å; C994-Q998 CarbonylContact O-C 3.56Å; C994-Q998 WeakPolarHBondContact O-CB 3.4Å; C994-H999 PolarHBondContact O-N 2.89Å; C994-K1000 HydrophobicContact CB-CB 4.49Å; C994-K1000 HydrophobicContact CB-CD 3.96Å; C994-K1000 WeakPolarHBondContact O-CB 3.5Å; C994-K1000 PolarHBondContact O-N 2.79Å; C994-I1005 HydrophobicContact CB-CD1 3.43Å; C994-I1005 VanDerWaalsContact CB-CD1 3.43Å; C994-I1005 HydrophobicContact CB-CG1 3.63Å
995	M	91.1	Very high	90.1	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.025	19%	0.19	C	C	.	.	I	π-helix	trans	-78.6	-49.6	-178.5	-61.1	-175.4	69.7	0	0	111.2	F960 L967 I991 H999 V1002 I1005 I1075 L1079	F960-M995 HydrophobicContact CD2-CE 4.27Å; F960-M995 HydrophobicContact CE1-CE 4.13Å; F960-M995 HydrophobicContact CE2-CE 3.34Å; F960-M995 HydrophobicContact CZ-CE 3.24Å; L967-M995 HydrophobicContact CD2-CB 3.48Å; L967-M995 VanDerWaalsContact CD2-CB 3.48Å; L967-M995 HydrophobicContact CD2-CE 4.35Å; I991-M995 HydrophobicContact CG2-CG 4.43Å; I991-M995 HydrophobicContact CG2-SD 3.82Å; I991-M995 WeakPolarHBondContact O-CB 3.34Å; I991-M995 WeakPolarHBondContact O-CG 3.47Å; I991-M995 PolarHBondContact O-N 3.22Å; M995-H999 WeakPolarHBondContact O-CA 3.46Å; M995-H999 PolarHBondContact O-N 3.17Å; M995-V1002 HydrophobicContact CE-CG2 3.67Å; M995-V1002 HydrophobicContact SD-CG2 4.44Å; M995-I1005 HydrophobicContact CB-CD1 4.37Å; M995-I1005 HydrophobicContact CG-CD1 3.22Å; M995-I1005 HydrophobicContact SD-CD1 4.26Å; M995-I1075 HydrophobicContact SD-CG2 4.14Å; M995-L1079 HydrophobicContact CE-CD2 3.72Å; M995-L1079 HydrophobicContact SD-CD1 4.2Å; M995-L1079 HydrophobicContact SD-CD2 3.99Å
996	G	90.5	Very high	90	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.165	C	C	.	.	I	π-helix	trans	-83.5	-35.1	-172.4	0	0	0	0	0	115.5	P968 L992 H999	P968-G996 VanDerWaalsContact CA-O 3.24Å; P968-G996 WeakPolarHBondContact CA-O 3.19Å; P968-G996 VanDerWaalsContact CB-O 3.29Å; P968-G996 WeakPolarHBondContact CB-O 3.5Å; L992-G996 VanDerWaalsContact O-CA 3.28Å; L992-G996 WeakPolarHBondContact O-CA 3.35Å; L992-G996 PolarHBondContact O-N 3.24Å; G996-H999 PolarHBondContact O-NE2 3.11Å
997	L	92.2	Very high	89.7	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.153	C	C	.	.	I	π-helix	trans	-103.8	-33.3	179.9	-62.9	-169.6	0	0	0	114	I901 F904 P905 A971 Q972 F975 L993	I901-L997 HydrophobicContact CG1-CD1 4.13Å; I901-L997 HydrophobicContact CG2-CD1 4.42Å; I901-L997 HydrophobicContact CG2-CD2 4.12Å; F904-L997 CarbonylContact C-O 3.57Å; F904-L997 HydrophobicContact CB-CB 3.92Å; F904-L997 WeakPolarHBondContact CB-O 3.1Å; F904-L997 HydrophobicContact CD2-CB 3.99Å; F904-L997 HydrophobicContact CD2-CD1 3.78Å; F904-L997 HydrophobicContact CE2-CD1 4.01Å; F904-L997 HydrophobicContact CG-CB 4.16Å; P905-L997 VanDerWaalsContact CD-O 3.22Å; P905-L997 WeakPolarHBondContact CD-O 3.36Å; P905-L997 VanDerWaalsContact CG-O 3.3Å; P905-L997 WeakPolarHBondContact CG-O 3.24Å; A971-L997 HydrophobicContact CB-CD2 3.89Å; A971-L997 HydrophobicContact CB-CG 4.03Å; Q972-L997 HydrophobicContact CG-CD2 3.81Å; F975-L997 HydrophobicContact CB-CD1 4.26Å; F975-L997 HydrophobicContact CD2-CD1 3.46Å; F975-L997 VanDerWaalsContact CD2-CD1 3.46Å; F975-L997 HydrophobicContact CD2-CG 4.04Å; F975-L997 HydrophobicContact CE2-CD1 4.11Å; F975-L997 HydrophobicContact CE2-CG 4.45Å; F975-L997 HydrophobicContact CG-CD1 4.06Å; L993-L997 CarbonylContact O-C 3.54Å; L993-L997 WeakPolarHBondContact O-CA 3.47Å; L993-L997 WeakPolarHBondContact O-CB 3.42Å; L993-L997 PolarHBondContact O-N 3.46Å
998	Q	91.7	Very high	89.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-96.1	-8.8	179.5	-61.1	-177.4	-61.1	0	0	113.8	F904 F908 R909 M911 L993 C994 K1000	F904-Q998 HydrophobicContact CB-CG 4.03Å; F904-Q998 HydrophobicContact CD1-CG 3.87Å; F904-Q998 HydrophobicContact CG-CG 4.26Å; F908-Q998 PolarHBondContact O-NE2 3.09Å; R909-Q998 WeakPolarHBondContact CG-O 3.06Å; R909-Q998 PolarHBondContact NE-O 3Å; M911-Q998 PolarHBondContact O-NE2 2.99Å; M911-Q998 PolarHBondContact O-OE1 3.23Å; L993-Q998 HydrophobicContact CD2-CG 3.92Å; L993-Q998 PolarHBondContact O-N 2.95Å; C994-Q998 CarbonylContact O-C 3.56Å; C994-Q998 WeakPolarHBondContact O-CB 3.4Å; Q998-K1000 HydrophobicContact CB-CD 4.18Å; Q998-K1000 HydrophobicContact CB-CG 3.99Å; Q998-K1000 PolarHBondContact O-N 3.06Å; Q998-K1000 VanDerWaalsContact OE1-CE 3.23Å
999	H	90.4	Very high	88.9	Confident	85 Å²	85	26.5 Å²	26.5	39%	0.394	14%	0.138	S	C	.	.			trans	49.8	44.8	-176.8	-53.7	162.2	0	0	0	112.7	R909 C994 M995 G996	R909-H999 PolarHBondContact NE-O 2.73Å; R909-H999 PolarHBondContact NH2-O 3.04Å; C994-H999 PolarHBondContact O-N 2.89Å; M995-H999 WeakPolarHBondContact O-CA 3.46Å; M995-H999 PolarHBondContact O-N 3.17Å; G996-H999 PolarHBondContact O-NE2 3.11Å
1000	K	89.4	Confident	88.3	Confident	16 Å²	16	27.6 Å²	27.6	7%	0.07	15%	0.145	C	C	.	.			trans	-84.1	149	173.4	-68.8	172.9	173.1	173.8	0	111	R909 M911 C994 Q998 Q1004 I1005 E1008	R909-K1000 WeakPolarHBondContact O-CE 3.47Å; M911-K1000 PolarHBondContact O-NZ 2.94Å; C994-K1000 HydrophobicContact CB-CB 4.49Å; C994-K1000 HydrophobicContact CB-CD 3.96Å; C994-K1000 WeakPolarHBondContact O-CB 3.5Å; C994-K1000 PolarHBondContact O-N 2.79Å; Q998-K1000 HydrophobicContact CB-CD 4.18Å; Q998-K1000 HydrophobicContact CB-CG 3.99Å; Q998-K1000 PolarHBondContact O-N 3.06Å; Q998-K1000 VanDerWaalsContact OE1-CE 3.23Å; K1000-Q1004 HydrophobicContact CB-CB 4.41Å; K1000-I1005 HydrophobicContact CB-CD1 4.02Å; K1000-I1005 HydrophobicContact CB-CG1 3.86Å; K1000-I1005 HydrophobicContact CD-CG1 4.38Å; K1000-E1008 VanDerWaalsContact CD-OE1 3.24Å; K1000-E1008 WeakPolarHBondContact CD-OE1 3.49Å; K1000-E1008 WeakPolarHBondContact CE-OE1 3.44Å; K1000-E1008 IonicContact NZ-OE1 3.3Å; K1000-E1008 PolarHBondContact NZ-OE1 2.82Å; K1000-E1008 IonicContact NZ-OE2 3.73Å; K1000-E1008 PolarHBondContact NZ-OE2 3.29Å
1001	T	88.8	Confident	87.2	Confident	64 Å²	64	29.3 Å²	29.3	39%	0.393	15%	0.15	S	C	.	.			trans	-75.1	156.3	174.6	70	0	0	0	0	111.5	E1003 Q1004 I1005	T1001-E1003 PolarHBondContact O-N 2.84Å; T1001-Q1004 PolarHBondContact O-N 3.1Å; T1001-Q1004 VanDerWaalsContact O-N 3.15Å; T1001-Q1004 WeakPolarHBondContact OG1-CG 3.33Å; T1001-Q1004 PolarHBondContact OG1-N 2.88Å; T1001-I1005 VanDerWaalsContact O-CG1 3.3Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.4Å; T1001-I1005 PolarHBondContact O-N 3.4Å
1002	V	88.3	Confident	86.1	Confident	23 Å²	23	32.7 Å²	32.7	14%	0.139	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-30.5	175.9	-178.2	0	0	0	0	111.5	F960 M995 S1006 T1072 I1075 L1076	F960-V1002 HydrophobicContact CE1-CG2 4.22Å; M995-V1002 HydrophobicContact CE-CG2 3.67Å; M995-V1002 HydrophobicContact SD-CG2 4.44Å; V1002-S1006 WeakPolarHBondContact O-CB 3.46Å; V1002-S1006 PolarHBondContact O-N 2.83Å; V1002-T1072 HydrophobicContact CG1-CG2 4.25Å; V1002-I1075 HydrophobicContact CG1-CB 4.26Å; V1002-I1075 HydrophobicContact CG1-CD1 4.39Å; V1002-I1075 HydrophobicContact CG1-CG2 4.06Å; V1002-L1076 HydrophobicContact CG1-CG 4.46Å; V1002-L1076 HydrophobicContact CG2-CD2 4.36Å
1003	E	86.8	Confident	84.9	Confident	150 Å²	150	36.5 Å²	36.5	70%	0.701	19%	0.188	S	C	*	.	H	α-helix	trans	-68.5	-46.8	174.7	-60	177.9	160.6	0	0	112.6	T1001 I1005 S1006 S1007	T1001-E1003 PolarHBondContact O-N 2.84Å; E1003-I1005 VanDerWaalsContact C-N 3.29Å; E1003-I1005 PolarHBondContact O-N 2.81Å; E1003-S1006 WeakPolarHBondContact O-CB 3.43Å; E1003-S1006 PolarHBondContact O-N 3.41Å; E1003-S1007 PolarHBondContact O-N 3.22Å
1004	Q	85.4	Confident	83.2	Confident	74 Å²	74	38 Å²	38	35%	0.346	20%	0.204	S	C	.	.	H	α-helix	trans	-58.1	-45.5	174.8	-73.6	166	-13.3	0	0	110.3	K1000 T1001 S1006 S1007 E1008	K1000-Q1004 HydrophobicContact CB-CB 4.41Å; T1001-Q1004 PolarHBondContact O-N 3.1Å; T1001-Q1004 VanDerWaalsContact O-N 3.15Å; T1001-Q1004 WeakPolarHBondContact OG1-CG 3.33Å; T1001-Q1004 PolarHBondContact OG1-N 2.88Å; Q1004-S1006 PolarHBondContact O-N 2.9Å; Q1004-S1007 WeakPolarHBondContact O-CA 3.37Å; Q1004-S1007 WeakPolarHBondContact O-CB 3.43Å; Q1004-S1007 PolarHBondContact O-N 2.78Å; Q1004-S1007 PolarHBondContact O-OG 2.96Å; Q1004-E1008 PolarHBondContact O-N 2.75Å
1005	I	87.3	Confident	81	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-37.5	178.1	-61.6	167.9	0	0	0	111.3	C994 M995 K1000 T1001 E1003 S1007 E1008 F1009 I1075	C994-I1005 HydrophobicContact CB-CD1 3.43Å; C994-I1005 VanDerWaalsContact CB-CD1 3.43Å; C994-I1005 HydrophobicContact CB-CG1 3.63Å; M995-I1005 HydrophobicContact CB-CD1 4.37Å; M995-I1005 HydrophobicContact CG-CD1 3.22Å; M995-I1005 HydrophobicContact SD-CD1 4.26Å; K1000-I1005 HydrophobicContact CB-CD1 4.02Å; K1000-I1005 HydrophobicContact CB-CG1 3.86Å; K1000-I1005 HydrophobicContact CD-CG1 4.38Å; T1001-I1005 VanDerWaalsContact O-CG1 3.3Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.4Å; T1001-I1005 PolarHBondContact O-N 3.4Å; E1003-I1005 VanDerWaalsContact C-N 3.29Å; E1003-I1005 PolarHBondContact O-N 2.81Å; I1005-S1007 VanDerWaalsContact C-N 3.29Å; I1005-S1007 PolarHBondContact O-N 2.82Å; I1005-E1008 PolarHBondContact O-N 2.95Å; I1005-F1009 HydrophobicContact CG2-CD2 3.66Å; I1005-F1009 HydrophobicContact CG2-CE2 3.53Å; I1005-F1009 VanDerWaalsContact O-CD2 3.28Å; I1005-F1009 WeakPolarHBondContact O-CD2 3.37Å; I1005-F1009 PolarHBondContact O-N 3.29Å; I1005-I1075 HydrophobicContact CB-CD1 4.24Å; I1005-I1075 HydrophobicContact CG2-CD1 3.77Å; I1005-I1075 HydrophobicContact CG2-CG1 4.3Å
1006	S	86.5	Confident	78.9	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-35.8	170.2	178.3	0	0	0	0	111.9	V1002 E1003 Q1004 N1010 S1069 W1071	V1002-S1006 WeakPolarHBondContact O-CB 3.46Å; V1002-S1006 PolarHBondContact O-N 2.83Å; E1003-S1006 WeakPolarHBondContact O-CB 3.43Å; E1003-S1006 PolarHBondContact O-N 3.41Å; Q1004-S1006 PolarHBondContact O-N 2.9Å; S1006-N1010 WeakPolarHBondContact O-CB 3.45Å; S1006-N1010 VanDerWaalsContact O-CG 3.26Å; S1006-N1010 PolarHBondContact O-N 3.26Å; S1006-N1010 PolarHBondContact O-ND2 2.96Å; S1006-N1010 VanDerWaalsContact O-ND2 3.12Å; S1006-S1069 PolarHBondContact OG-OG 3.12Å; S1006-S1069 VanDerWaalsContact OG-OG 3.08Å; S1006-W1071 WeakPolarHBondContact OG-CB 3.39Å
1007	S	81.9	Confident	76.7	Confident	60 Å²	60	51.5 Å²	51.5	42%	0.42	29%	0.286	S	S	.	.	H	α-helix	trans	-71.2	-39.5	176.5	80.9	0	0	0	0	112.1	E1003 Q1004 I1005 N1010 R1011	E1003-S1007 PolarHBondContact O-N 3.22Å; Q1004-S1007 WeakPolarHBondContact O-CA 3.37Å; Q1004-S1007 WeakPolarHBondContact O-CB 3.43Å; Q1004-S1007 PolarHBondContact O-N 2.78Å; Q1004-S1007 PolarHBondContact O-OG 2.96Å; I1005-S1007 VanDerWaalsContact C-N 3.29Å; I1005-S1007 PolarHBondContact O-N 2.82Å; S1007-N1010 PolarHBondContact O-N 3.02Å; S1007-R1011 WeakPolarHBondContact O-CB 3.35Å; S1007-R1011 PolarHBondContact O-N 3.5Å
1008	E	81.8	Confident	73.8	Confident	9 Å²	9	58.8 Å²	58.8	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-45.9	171.4	-81.1	176	-106.7	0	0	111.7	G913 K1000 Q1004 I1005 R1011 L1012	G913-E1008 PolarHBondContact N-OE2 3.32Å; K1000-E1008 VanDerWaalsContact CD-OE1 3.24Å; K1000-E1008 WeakPolarHBondContact CD-OE1 3.49Å; K1000-E1008 WeakPolarHBondContact CE-OE1 3.44Å; K1000-E1008 IonicContact NZ-OE1 3.3Å; K1000-E1008 PolarHBondContact NZ-OE1 2.82Å; K1000-E1008 IonicContact NZ-OE2 3.73Å; K1000-E1008 PolarHBondContact NZ-OE2 3.29Å; Q1004-E1008 PolarHBondContact O-N 2.75Å; I1005-E1008 PolarHBondContact O-N 2.95Å; E1008-R1011 CarbonylContact O-C 3.55Å; E1008-R1011 WeakPolarHBondContact O-CB 3.21Å; E1008-R1011 PolarHBondContact O-N 3.06Å; E1008-R1011 VanDerWaalsContact O-N 3.15Å; E1008-L1012 VanDerWaalsContact O-CB 3.31Å; E1008-L1012 WeakPolarHBondContact O-CB 3.33Å; E1008-L1012 VanDerWaalsContact O-CG 3.22Å; E1008-L1012 WeakPolarHBondContact O-CG 3.25Å; E1008-L1012 PolarHBondContact O-N 2.8Å
1009	F	82.6	Confident	70.9	Confident	10 Å²	10	64.7 Å²	64.7	4%	0.044	35%	0.352	C	S	.	.	H	α-helix	trans	-67.8	-38.5	177.8	-79.3	-61	0	0	0	113	T987 V990 I991 I1005 R1011 L1012 L1013 W1071 I1075	T987-F1009 HydrophobicContact CG2-CE1 3.89Å; T987-F1009 HydrophobicContact CG2-CZ 3.89Å; V990-F1009 HydrophobicContact CB-CZ 4.38Å; V990-F1009 HydrophobicContact CG1-CE1 4.44Å; V990-F1009 HydrophobicContact CG1-CZ 3.85Å; I991-F1009 HydrophobicContact CD1-CE2 4.32Å; I991-F1009 HydrophobicContact CG1-CE2 3.75Å; I991-F1009 HydrophobicContact CG1-CZ 4.01Å; I1005-F1009 HydrophobicContact CG2-CD2 3.66Å; I1005-F1009 HydrophobicContact CG2-CE2 3.53Å; I1005-F1009 VanDerWaalsContact O-CD2 3.28Å; I1005-F1009 WeakPolarHBondContact O-CD2 3.37Å; I1005-F1009 PolarHBondContact O-N 3.29Å; F1009-R1011 VanDerWaalsContact C-N 3.27Å; F1009-R1011 PolarHBondContact O-N 2.95Å; F1009-L1012 PolarHBondContact O-N 3.27Å; F1009-L1013 HydrophobicContact CD1-CD1 3.62Å; F1009-L1013 HydrophobicContact CD1-CG 4.19Å; F1009-L1013 HydrophobicContact CE1-CD1 4.18Å; F1009-L1013 PolarHBondContact O-N 3.47Å; F1009-W1071 HydrophobicContact CB-CD2 3.95Å; F1009-W1071 HydrophobicContact CB-CE3 4.03Å; F1009-W1071 HydrophobicContact CB-CG 4.31Å; F1009-W1071 HydrophobicContact CG-CE3 4.36Å; F1009-I1075 HydrophobicContact CD2-CD1 4.1Å; F1009-I1075 HydrophobicContact CD2-CG1 4.22Å; F1009-I1075 HydrophobicContact CE2-CG1 4.41Å
1010	N	78.2	Confident	68.1	Low	64 Å²	64	68 Å²	68	34%	0.342	37%	0.367	S	S	.	.	H	α-helix	trans	-56.2	-42.1	168.5	-81.8	-34.1	0	0	0	111.7	S1006 S1007 G1014 W1071	S1006-N1010 WeakPolarHBondContact O-CB 3.45Å; S1006-N1010 VanDerWaalsContact O-CG 3.26Å; S1006-N1010 PolarHBondContact O-N 3.26Å; S1006-N1010 PolarHBondContact O-ND2 2.96Å; S1006-N1010 VanDerWaalsContact O-ND2 3.12Å; S1007-N1010 PolarHBondContact O-N 3.02Å; N1010-G1014 WeakPolarHBondContact O-CA 3.16Å; N1010-G1014 PolarHBondContact O-N 2.88Å; N1010-W1071 PolarHBondContact OD1-NE1 3.08Å
1011	R	68.8	Low	65.1	Low	46 Å²	46	72.9 Å²	72.9	17%	0.174	39%	0.393	C	S	.	.	H	α-helix	trans	-70	-33.9	179.4	-170.9	174.8	77.8	-147	1.4	113.4	D912 S1007 E1008 F1009 R1028 D1030 D1031	D912-R1011 IonicContact OD1-NH2 2.75Å; D912-R1011 PolarHBondContact OD1-NH2 2.85Å; D912-R1011 IonicContact OD2-CZ 2.8Å; D912-R1011 IonicContact OD2-NH2 3.75Å; D912-R1011 PolarHBondContact OD2-NH2 2.79Å; S1007-R1011 WeakPolarHBondContact O-CB 3.35Å; S1007-R1011 PolarHBondContact O-N 3.5Å; E1008-R1011 CarbonylContact O-C 3.55Å; E1008-R1011 WeakPolarHBondContact O-CB 3.21Å; E1008-R1011 PolarHBondContact O-N 3.06Å; E1008-R1011 VanDerWaalsContact O-N 3.15Å; F1009-R1011 VanDerWaalsContact C-N 3.27Å; F1009-R1011 PolarHBondContact O-N 2.95Å; R1011-R1028 HydrophobicContact CG-CB 4.1Å; R1011-D1030 WeakPolarHBondContact CD-OD2 3.46Å; R1011-D1030 IonicContact NH1-OD2 3.39Å; R1011-D1031 IonicContact CZ-OD1 3.72Å; R1011-D1031 IonicContact CZ-OD2 2.93Å; R1011-D1031 VanDerWaalsContact CZ-OD2 3.28Å; R1011-D1031 IonicContact NH1-OD1 3.55Å; R1011-D1031 PolarHBondContact NH1-OD1 3.45Å; R1011-D1031 IonicContact NH1-OD2 2.71Å; R1011-D1031 PolarHBondContact NH1-OD2 2.96Å; R1011-D1031 IonicContact NH2-OD1 3.26Å; R1011-D1031 IonicContact NH2-OD2 2.7Å; R1011-D1031 PolarHBondContact NH2-OD2 3.35Å
1012	L	68.4	Low	62.1	Low	73 Å²	73	81.2 Å²	81.2	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-98.6	-34	-170.7	-68.7	170.1	0	0	0	114.7	T914 E1008 F1009	T914-L1012 HydrophobicContact CG2-CD1 3.9Å; E1008-L1012 VanDerWaalsContact O-CB 3.31Å; E1008-L1012 WeakPolarHBondContact O-CB 3.33Å; E1008-L1012 VanDerWaalsContact O-CG 3.22Å; E1008-L1012 WeakPolarHBondContact O-CG 3.25Å; E1008-L1012 PolarHBondContact O-N 2.8Å; F1009-L1012 PolarHBondContact O-N 3.27Å
1013	L	67.1	Low	59.2	Low	80 Å²	80	84.1 Å²	84.1	42%	0.419	43%	0.434	S	S	.	.	H	α-helix	trans	-109.1	-17.8	-177.4	-62.1	178.4	0	0	0	113.2	F1009 W1071	F1009-L1013 HydrophobicContact CD1-CD1 3.62Å; F1009-L1013 HydrophobicContact CD1-CG 4.19Å; F1009-L1013 HydrophobicContact CE1-CD1 4.18Å; F1009-L1013 PolarHBondContact O-N 3.47Å; L1013-W1071 HydrophobicContact CB-CH2 4.19Å; L1013-W1071 HydrophobicContact CB-CZ2 3.92Å; L1013-W1071 HydrophobicContact CD1-CH2 3.38Å; L1013-W1071 HydrophobicContact CD1-CZ2 3.97Å; L1013-W1071 HydrophobicContact CD1-CZ3 3.97Å; L1013-W1071 HydrophobicContact CG-CH2 4.42Å
1014	G	57.4	Low	56.4	Low	32 Å²	32	82.8 Å²	82.8	33%	0.33	44%	0.442	S	S	.	.			trans	81	173	-170.4	0	0	0	0	0	112.7	N1010 S1016 W1071	N1010-G1014 WeakPolarHBondContact O-CA 3.16Å; N1010-G1014 PolarHBondContact O-N 2.88Å; G1014-S1016 PolarHBondContact O-N 3.02Å; G1014-W1071 PolarHBondContact O-NE1 3.11Å
1015	D	46.5	Very low	53.6	Low	97 Å²	97	82.1 Å²	82.1	52%	0.519	46%	0.455	S	S	.	.			trans	-77	119.8	175.6	-166.9	-11.7	0	0	0	109.6	T1017 R1018	D1015-T1017 PolarHBondContact O-N 3.37Å; D1015-T1017 PolarHBondContact OD1-OG1 3.46Å; D1015-R1018 PolarHBondContact O-N 3.5Å
1016	S	47.3	Very low	50.9	Low	81 Å²	81	87.7 Å²	87.7	57%	0.566	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12	-169.9	-54.7	0	0	0	0	114.3	G1014 R1018 W1071	G1014-S1016 PolarHBondContact O-N 3.02Å; S1016-R1018 PolarHBondContact O-N 2.83Å; S1016-W1071 VanDerWaalsContact OG-CZ2 3.25Å; S1016-W1071 WeakPolarHBondContact OG-CZ2 3.36Å
1017	T	44.1	Very low	48.2	Very low	112 Å²	112	90.5 Å²	90.5	69%	0.687	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	1.6	176.7	58.9	0	0	0	0	114	D1015	D1015-T1017 PolarHBondContact O-N 3.37Å; D1015-T1017 PolarHBondContact OD1-OG1 3.46Å
1018	R	31	Very low	45.8	Very low	154 Å²	154	94 Å²	94	58%	0.581	51%	0.505	S	S	*	.	S	Bend	trans	-131.4	135.1	178.4	-65.2	-175.9	176.6	170.5	0.9	111.9	D1015 S1016 H1020	D1015-R1018 PolarHBondContact O-N 3.5Å; S1016-R1018 PolarHBondContact O-N 2.83Å; R1018-H1020 PolarHBondContact O-N 3.28Å
1019	P	32	Very low	43.5	Very low	125 Å²	125	94.9 Å²	94.9	81%	0.812	51%	0.512	S	S	*	.			trans	-64.2	135.3	-171.4	24.4	-34	0	0	0	112.5	I1021	P1019-I1021 PolarHBondContact O-N 3.22Å
1020	H	31.2	Very low	41.2	Very low	155 Å²	155	96.8 Å²	96.8	72%	0.718	52%	0.523	S	S	*	.			trans	-61.6	124.5	-171.2	-69.8	-63.7	0	0	0	114.1	R1018	R1018-H1020 PolarHBondContact O-N 3.28Å
1021	I	26.2	Very low	39.3	Very low	118 Å²	118	94.9 Å²	94.9	61%	0.605	51%	0.512	S	S	*	.			trans	-108.5	113.9	156.5	-61.1	179.8	0	0	0	107.6	P1019 V1023	P1019-I1021 PolarHBondContact O-N 3.22Å; I1021-V1023 PolarHBondContact O-N 3.5Å
1022	R	26.2	Very low	37.8	Very low	238 Å²	238	93.4 Å²	93.4	90%	0.898	51%	0.51	S	S	*	.			trans	-71.8	93.5	179.6	-69.8	-176.2	-177.4	167.4	2.8	111.1	S1024	R1022-S1024 PolarHBondContact O-N 3.34Å
1023	V	27.2	Very low	36.3	Very low	84 Å²	84	90.4 Å²	90.4	51%	0.509	50%	0.495	S	S	.	.			trans	-78.5	92.2	163.3	-180	0	0	0	0	108.5	F510 I1021 G1025	F510-V1023 HydrophobicContact CD2-CG2 4.23Å; F510-V1023 HydrophobicContact CE2-CG1 3.98Å; F510-V1023 HydrophobicContact CE2-CG2 4.15Å; I1021-V1023 PolarHBondContact O-N 3.5Å; V1023-G1025 PolarHBondContact O-N 2.92Å
1024	S	26.6	Very low	34.9	Very low	123 Å²	123	91.3 Å²	91.3	86%	0.86	49%	0.493	S	S	*	.			trans	-76.2	89.6	178.2	57.9	0	0	0	0	111.4	R1022	R1022-S1024 PolarHBondContact O-N 3.34Å
1025	G	27.1	Very low	34	Very low	60 Å²	60	90.4 Å²	90.4	62%	0.619	48%	0.482	S	S	*	.			trans	114.5	88.8	164.8	0	0	0	0	0	115	V1023	V1023-G1025 PolarHBondContact O-N 2.92Å
1026	L	31	Very low	33.5	Very low	117 Å²	117	87.6 Å²	87.6	61%	0.613	47%	0.467	S	S	*	.			trans	-152	137.6	139.1	-139.2	71.7	0	0	0	108.8	Q472	Q472-L1026 HydrophobicContact CG-CD2 3.93Å
1027	V	30.2	Very low	32.9	Very low	62 Å²	62	85.2 Å²	85.2	38%	0.376	45%	0.447	S	S	.	.			trans	-92.2	124.2	173.5	177	0	0	0	0	107.1	P841	P841-V1027 HydrophobicContact CB-CG2 4.39Å; P841-V1027 HydrophobicContact CG-CG2 4.06Å
1028	R	31.7	Very low	32.4	Very low	134 Å²	134	83.1 Å²	83.1	51%	0.506	43%	0.432	S	S	.	.			trans	-90	104.3	164.3	-94.8	-175	169.5	150.4	-4.5	108.2	R1011 D1030	R1011-R1028 HydrophobicContact CG-CB 4.1Å; R1028-D1030 PolarHBondContact O-N 3.43Å; R1028-D1030 VanDerWaalsContact O-N 3.09Å
1029	S	32.3	Very low	32.9	Very low	27 Å²	27	79 Å²	79	19%	0.189	43%	0.427	C	S	.	.			trans	-83.9	46.9	-178.6	44	0	0	0	0	112.2	P437 Q440	P437-S1029 WeakPolarHBondContact CB-OG 3.2Å; P437-S1029 WeakPolarHBondContact CG-OG 3.4Å; Q440-S1029 PolarHBondContact OE1-OG 3.16Å
1030	D	36.1	Very low	33.1	Very low	51 Å²	51	77.4 Å²	77.4	27%	0.273	41%	0.411	S	S	.	.			trans	-73.2	-32.3	-172.1	-53.5	-28.7	0	0	0	111.7	R1011 R1028	R1011-D1030 WeakPolarHBondContact CD-OD2 3.46Å; R1011-D1030 IonicContact NH1-OD2 3.39Å; R1028-D1030 PolarHBondContact O-N 3.43Å; R1028-D1030 VanDerWaalsContact O-N 3.09Å
1031	D	36.8	Very low	33.3	Very low	23 Å²	23	78.1 Å²	78.1	12%	0.123	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-25.1	-170.2	-55.6	-25	0	0	0	113.3	H910 R1011 V1033 Y1034	H910-D1031 HydrophobicContact CB-CB 4.29Å; H910-D1031 VanDerWaalsContact CB-O 3.3Å; H910-D1031 WeakPolarHBondContact CB-O 3.34Å; H910-D1031 WeakPolarHBondContact O-CB 3.4Å; R1011-D1031 IonicContact CZ-OD1 3.72Å; R1011-D1031 IonicContact CZ-OD2 2.93Å; R1011-D1031 VanDerWaalsContact CZ-OD2 3.28Å; R1011-D1031 IonicContact NH1-OD1 3.55Å; R1011-D1031 PolarHBondContact NH1-OD1 3.45Å; R1011-D1031 IonicContact NH1-OD2 2.71Å; R1011-D1031 PolarHBondContact NH1-OD2 2.96Å; R1011-D1031 IonicContact NH2-OD1 3.26Å; R1011-D1031 IonicContact NH2-OD2 2.7Å; R1011-D1031 PolarHBondContact NH2-OD2 3.35Å; D1031-V1033 PolarHBondContact O-N 3.45Å; D1031-Y1034 WeakPolarHBondContact O-CB 3.45Å; D1031-Y1034 PolarHBondContact O-N 3.24Å
1032	A	37.7	Very low	33.8	Very low	15 Å²	15	80.7 Å²	80.7	12%	0.124	42%	0.421	C	S	.	.	H	α-helix	trans	-58.1	-25.1	178.2	0	0	0	0	0	113	M861 S1035 I1036	M861-A1032 HydrophobicContact CE-CB 3.68Å; M861-A1032 HydrophobicContact SD-CB 4.33Å; A1032-S1035 PolarHBondContact O-OG 3.05Å; A1032-I1036 WeakPolarHBondContact O-CG1 3.42Å
1033	V	37.6	Very low	34.4	Very low	11 Å²	11	78 Å²	78	7%	0.067	42%	0.417	C	S	.	.	H	α-helix	trans	-70.9	-31.3	176.4	-172.7	0	0	0	0	111.5	A415 L438 D1031 L1037	A415-V1033 HydrophobicContact CB-CG1 3.86Å; L438-V1033 HydrophobicContact CD2-CB 4.44Å; L438-V1033 HydrophobicContact CD2-CG1 3.9Å; L438-V1033 HydrophobicContact CD2-CG2 3.87Å; D1031-V1033 PolarHBondContact O-N 3.45Å; V1033-L1037 HydrophobicContact CG1-CD1 3.97Å; V1033-L1037 WeakPolarHBondContact O-CB 3.36Å; V1033-L1037 WeakPolarHBondContact O-CG 3.33Å; V1033-L1037 PolarHBondContact O-N 2.92Å
1034	Y	37.6	Very low	34.5	Very low	98 Å²	98	76.7 Å²	76.7	38%	0.384	42%	0.42	S	S	.	.	H	α-helix	trans	-75.5	-30.9	-179.8	-79.7	-83.4	0	0	0	113.5	N419 H910 D1031 L1037 N1038	N419-Y1034 PolarHBondContact ND2-OH 3.39Å; H910-Y1034 VanDerWaalsContact ND1-CB 3.35Å; H910-Y1034 WeakPolarHBondContact ND1-CB 3.34Å; D1031-Y1034 WeakPolarHBondContact O-CB 3.45Å; D1031-Y1034 PolarHBondContact O-N 3.24Å; Y1034-L1037 PolarHBondContact O-N 3.45Å; Y1034-N1038 WeakPolarHBondContact O-CB 3.47Å; Y1034-N1038 PolarHBondContact O-N 3.1Å; Y1034-N1038 PolarHBondContact O-ND2 2.99Å
1035	S	38.3	Very low	34.6	Very low	14 Å²	14	78 Å²	78	10%	0.098	42%	0.417	C	S	.	.	H	α-helix	trans	-68.6	-39.7	171.6	55.4	0	0	0	0	111.6	M861 H910 A1032 S1039	M861-S1035 WeakPolarHBondContact CE-OG 3.24Å; H910-S1035 VanDerWaalsContact CD2-CA 3.46Å; H910-S1035 WeakPolarHBondContact CD2-CA 3.41Å; H910-S1035 PolarHBondContact CD2-N 3.27Å; A1032-S1035 PolarHBondContact O-OG 3.05Å; S1035-S1039 WeakPolarHBondContact O-CB 3.43Å; S1035-S1039 PolarHBondContact O-N 3.15Å; S1035-S1039 PolarHBondContact O-OG 3Å
1036	I	36.4	Very low	34.6	Very low	38 Å²	38	81.6 Å²	81.6	20%	0.195	43%	0.43	C	S	.	.	H	α-helix	trans	-60.6	-47.4	173.8	-65	168.4	0	0	0	110	M861 A1032 N1038 S1039 L1040	M861-I1036 HydrophobicContact SD-CD1 3.99Å; M861-I1036 HydrophobicContact SD-CG1 3.98Å; A1032-I1036 WeakPolarHBondContact O-CG1 3.42Å; I1036-N1038 PolarHBondContact O-N 3.06Å; I1036-S1039 PolarHBondContact O-OG 3.2Å; I1036-L1040 HydrophobicContact CG2-CD1 3.79Å; I1036-L1040 WeakPolarHBondContact O-CB 3.29Å; I1036-L1040 VanDerWaalsContact O-CG 3.3Å; I1036-L1040 WeakPolarHBondContact O-CG 3.27Å; I1036-L1040 PolarHBondContact O-N 3.06Å; I1036-L1040 VanDerWaalsContact O-N 3.12Å
1037	L	34.7	Very low	34.7	Very low	30 Å²	30	81.3 Å²	81.3	16%	0.157	44%	0.437	C	S	.	.	H	α-helix	trans	-68	-35.8	-178.3	-76.2	168.2	0	0	0	114.4	A416 V1033 Y1034 K1041	A416-L1037 HydrophobicContact CB-CD1 3.63Å; A416-L1037 HydrophobicContact CB-CD2 3.63Å; A416-L1037 HydrophobicContact CB-CG 4.29Å; V1033-L1037 HydrophobicContact CG1-CD1 3.97Å; V1033-L1037 WeakPolarHBondContact O-CB 3.36Å; V1033-L1037 WeakPolarHBondContact O-CG 3.33Å; V1033-L1037 PolarHBondContact O-N 2.92Å; Y1034-L1037 PolarHBondContact O-N 3.45Å; L1037-K1041 WeakPolarHBondContact O-CB 3.29Å; L1037-K1041 WeakPolarHBondContact O-CG 3.43Å; L1037-K1041 PolarHBondContact O-N 3.03Å
1038	N	33	Very low	34.6	Very low	68 Å²	68	81.6 Å²	81.6	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-75.3	-45	177.3	-69.9	-26.2	0	0	0	111.7	H910 Y1034 I1036 L1040 K1041 E1042	H910-N1038 PolarHBondContact CE1-ND2 2.96Å; H910-N1038 PolarHBondContact NE2-ND2 2.94Å; H910-N1038 VanDerWaalsContact NE2-ND2 3.15Å; Y1034-N1038 WeakPolarHBondContact O-CB 3.47Å; Y1034-N1038 PolarHBondContact O-N 3.1Å; Y1034-N1038 PolarHBondContact O-ND2 2.99Å; I1036-N1038 PolarHBondContact O-N 3.06Å; N1038-L1040 VanDerWaalsContact C-N 3.26Å; N1038-L1040 PolarHBondContact O-N 2.99Å; N1038-K1041 PolarHBondContact O-N 3.49Å; N1038-K1041 VanDerWaalsContact O-N 3.15Å; N1038-E1042 PolarHBondContact O-N 3.12Å
1039	S	41.5	Very low	34.4	Very low	69 Å²	69	81.2 Å²	81.2	48%	0.483	47%	0.47	S	S	.	.	H	α-helix	trans	-69	-20.1	-179.3	60.3	0	0	0	0	114.4	S1035 I1036	S1035-S1039 WeakPolarHBondContact O-CB 3.43Å; S1035-S1039 PolarHBondContact O-N 3.15Å; S1035-S1039 PolarHBondContact O-OG 3Å; I1036-S1039 PolarHBondContact O-OG 3.2Å
1040	L	35.8	Very low	34.2	Very low	90 Å²	90	86.2 Å²	86.2	47%	0.471	50%	0.5	S	S	.	.	H	α-helix	trans	-86.6	-32.1	169.8	-68.3	173.5	0	0	0	112.9	I1036 N1038 E1042 K1043	I1036-L1040 HydrophobicContact CG2-CD1 3.79Å; I1036-L1040 WeakPolarHBondContact O-CB 3.29Å; I1036-L1040 VanDerWaalsContact O-CG 3.3Å; I1036-L1040 WeakPolarHBondContact O-CG 3.27Å; I1036-L1040 PolarHBondContact O-N 3.06Å; I1036-L1040 VanDerWaalsContact O-N 3.12Å; N1038-L1040 VanDerWaalsContact C-N 3.26Å; N1038-L1040 PolarHBondContact O-N 2.99Å; L1040-E1042 VanDerWaalsContact C-N 3.27Å; L1040-E1042 PolarHBondContact O-N 3.38Å; L1040-K1043 PolarHBondContact O-N 2.8Å
1041	K	35.6	Very low	33.8	Very low	171 Å²	171	88.8 Å²	88.8	74%	0.743	52%	0.522	S	S	*	.	H	α-helix	trans	-64.9	-28.1	177.3	-91.8	-173.6	170.6	-171.7	0	113.8	L1037 N1038 K1043	L1037-K1041 WeakPolarHBondContact O-CB 3.29Å; L1037-K1041 WeakPolarHBondContact O-CG 3.43Å; L1037-K1041 PolarHBondContact O-N 3.03Å; N1038-K1041 PolarHBondContact O-N 3.49Å; N1038-K1041 VanDerWaalsContact O-N 3.15Å; K1041-K1043 PolarHBondContact O-N 3.03Å; K1041-K1043 VanDerWaalsContact O-N 3.16Å
1042	E	36.6	Very low	33.4	Very low	171 Å²	171	94.8 Å²	94.8	80%	0.799	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	5	176.5	-67.7	179.2	165.8	0	0	113.9	N1038 L1040	N1038-E1042 PolarHBondContact O-N 3.12Å; L1040-E1042 VanDerWaalsContact C-N 3.27Å; L1040-E1042 PolarHBondContact O-N 3.38Å
1043	K	38.6	Very low	32.9	Very low	183 Å²	183	101.5 Å²	101.5	80%	0.796	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	16.4	179.4	-65.2	-167.9	174.8	-172.6	0	115	L1040 K1041	L1040-K1043 PolarHBondContact O-N 2.8Å; K1041-K1043 PolarHBondContact O-N 3.03Å; K1041-K1043 VanDerWaalsContact O-N 3.16Å
1044	G	30.1	Very low	32.5	Very low	56 Å²	56	109.9 Å²	109.9	58%	0.577	63%	0.626	S	S	*	*	S	Bend	trans	-106.6	138.9	171.1	0	0	0	0	0	112
1045	D	28.2	Very low	32	Very low	150 Å²	150	110.4 Å²	110.4	80%	0.802	64%	0.644	S	S	*	*			trans	-63.2	134.1	-168.9	-58.3	-72.2	0	0	0	114.8	S1047	D1045-S1047 PolarHBondContact O-N 3.26Å
1046	P	28	Very low	31.6	Very low	136 Å²	136	119.9 Å²	119.9	88%	0.883	68%	0.684	S	S	*	*			trans	-87.2	81.8	174.6	34.6	-33.7	0	0	0	111.6
1047	S	31.6	Very low	31.2	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	71%	0.708	S	S	*	*			trans	-151.1	147	168.6	73.2	0	0	0	0	113.9	D1045	D1045-S1047 PolarHBondContact O-N 3.26Å
1048	G	29.1	Very low	30.9	Very low	68 Å²	68	129.1 Å²	129.1	70%	0.701	74%	0.743	S	S	*	*			trans	107.3	119.8	159.2	0	0	0	0	0	118.2
1049	S	27.7	Very low	30.6	Very low	125 Å²	125	136 Å²	136	87%	0.874	77%	0.77	S	S	*	*			trans	67.6	106.5	156.1	56.9	0	0	0	0	120.8
1050	T	26.3	Very low	30	Very low	132 Å²	132	142.3 Å²	142.3	81%	0.81	79%	0.789	S	S	*	*			trans	-68.4	177.5	155	45.2	0	0	0	0	113.7
1051	S	28.6	Very low	29.7	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	81%	0.811	S	S	*	*			trans	84.7	144.5	171.1	84.1	0	0	0	0	115.6
1052	N	28	Very low	29.2	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	81%	0.808	S	S	*	*			cis	-144.9	151.1	-1	-125	-8.6	0	0	0	112
1053	N	26.8	Very low	29.2	Very low	156 Å²	156	141 Å²	141	83%	0.834	81%	0.809	S	S	*	*			trans	-75.1	135.8	172.5	-79.3	-42.1	0	0	0	110.9
1054	H	29.3	Very low	28.8	Very low	186 Å²	186	139.9 Å²	139.9	86%	0.861	81%	0.811	S	S	*	*			trans	-136.7	114.1	153	-97.5	-69.5	0	0	0	111
1055	S	28.6	Very low	29	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	82%	0.823	S	S	*	*			trans	-82.4	129.7	176.8	54.9	0	0	0	0	111.5
1056	F	28.3	Very low	29.1	Very low	214 Å²	214	139.4 Å²	139.4	94%	0.939	82%	0.815	S	S	*	*			trans	-128.5	107.6	154.9	-111.2	-87.2	0	0	0	109.2
1057	G	28	Very low	29.5	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	82%	0.816	S	S	*	*			trans	-99.4	130.4	-173.1	0	0	0	0	0	112.7
1058	H	30.1	Very low	30	Very low	193 Å²	193	140 Å²	140	89%	0.894	81%	0.807	S	S	*	*			trans	-115.6	103.9	158.3	-102.7	-68.5	0	0	0	110.2	K1060	H1058-K1060 PolarHBondContact O-N 2.95Å
1059	K	25.8	Very low	31.3	Very low	212 Å²	212	139 Å²	139	92%	0.922	79%	0.789	S	S	*	*			trans	-65.6	115.2	173.8	-71.4	178.1	175.3	177.6	0	110.5
1060	K	29.9	Very low	33.3	Very low	202 Å²	202	135.6 Å²	135.6	88%	0.878	77%	0.774	S	S	*	*			trans	-136.8	116.4	151.3	-79.5	-167.5	176.8	179.4	0	109.8	H1058	H1058-K1060 PolarHBondContact O-N 2.95Å
1061	K	27.7	Very low	35.8	Very low	214 Å²	214	131.1 Å²	131.1	93%	0.93	74%	0.743	S	S	*	*			trans	7.3	121.4	166.8	-57.7	-176.9	177	-171.9	0	117.9
1062	G	26.4	Very low	38.3	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	71%	0.712	S	S	*	*			trans	-113.1	-166.1	141.7	0	0	0	0	0	109.8
1063	P	37.3	Very low	40.8	Very low	125 Å²	125	126.6 Å²	126.6	81%	0.812	70%	0.704	S	S	*	*			cis	-141.6	92.7	-3.9	36.5	-14.6	0	0	0	113.8
1064	D	29.3	Very low	43.5	Very low	158 Å²	158	122.4 Å²	122.4	85%	0.845	69%	0.686	S	S	*	*			trans	-99.3	122.7	-179.9	-64.6	-53.7	0	0	0	113.3
1065	T	33.2	Very low	46.2	Very low	135 Å²	135	113.7 Å²	113.7	83%	0.828	65%	0.646	S	S	*	*			trans	15.8	115.4	164.4	58.6	0	0	0	0	119
1066	G	32	Very low	48.9	Very low	62 Å²	62	111.5 Å²	111.5	64%	0.639	63%	0.625	S	S	*	*			trans	-61	148.5	-177.1	0	0	0	0	0	116.5	N1068	G1066-N1068 PolarHBondContact O-N 2.88Å
1067	V	35.3	Very low	51.6	Low	150 Å²	150	103.2 Å²	103.2	91%	0.909	60%	0.6	S	S	*	*			trans	-75.7	69.9	177.4	-171.8	0	0	0	0	110.4	S1069	V1067-S1069 PolarHBondContact O-N 3.45Å; V1067-S1069 VanDerWaalsContact O-N 3.11Å
1068	N	42.9	Very low	54.5	Low	108 Å²	108	102.6 Å²	102.6	58%	0.578	58%	0.581	S	S	*	*			trans	-64.9	111.2	177.2	-71.9	3.7	0	0	0	109.7	G1066	G1066-N1068 PolarHBondContact O-N 2.88Å
1069	S	56.6	Low	57.2	Low	47 Å²	47	93.5 Å²	93.5	33%	0.329	54%	0.539	S	S	.	.			trans	-55.5	146.1	-178.7	64.2	0	0	0	0	111.4	S1006 V1067 W1071 T1072	S1006-S1069 PolarHBondContact OG-OG 3.12Å; S1006-S1069 VanDerWaalsContact OG-OG 3.08Å; V1067-S1069 PolarHBondContact O-N 3.45Å; V1067-S1069 VanDerWaalsContact O-N 3.11Å; S1069-W1071 PolarHBondContact O-N 3.26Å; S1069-W1071 VanDerWaalsContact O-N 3.08Å; S1069-T1072 PolarHBondContact O-N 2.97Å; S1069-T1072 PolarHBondContact O-OG1 2.78Å; S1069-T1072 WeakPolarHBondContact OG-CG2 3.49Å
1070	G	68.5	Low	60.2	Low	54 Å²	54	86.1 Å²	86.1	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-51.2	-41.4	-172.2	0	0	0	0	0	113.7	T1072 K1073 C1074	G1070-T1072 PolarHBondContact O-N 3.33Å; G1070-K1073 PolarHBondContact O-N 2.89Å; G1070-C1074 PolarHBondContact O-N 2.67Å; G1070-C1074 VanDerWaalsContact O-N 3.13Å; G1070-C1074 PolarHBondContact O-SG 2.98Å
1071	W	78.8	Confident	63	Low	39 Å²	39	79.2 Å²	79.2	15%	0.148	48%	0.481	C	S	.	.	H	α-helix	trans	-61.1	-34.7	176.9	-73	106.4	0	0	0	114.3	S1006 F1009 N1010 L1013 G1014 S1016 S1069 K1073 C1074 I1075	S1006-W1071 WeakPolarHBondContact OG-CB 3.39Å; F1009-W1071 HydrophobicContact CB-CD2 3.95Å; F1009-W1071 HydrophobicContact CB-CE3 4.03Å; F1009-W1071 HydrophobicContact CB-CG 4.31Å; F1009-W1071 HydrophobicContact CG-CE3 4.36Å; N1010-W1071 PolarHBondContact OD1-NE1 3.08Å; L1013-W1071 HydrophobicContact CB-CH2 4.19Å; L1013-W1071 HydrophobicContact CB-CZ2 3.92Å; L1013-W1071 HydrophobicContact CD1-CH2 3.38Å; L1013-W1071 HydrophobicContact CD1-CZ2 3.97Å; L1013-W1071 HydrophobicContact CD1-CZ3 3.97Å; L1013-W1071 HydrophobicContact CG-CH2 4.42Å; G1014-W1071 PolarHBondContact O-NE1 3.11Å; S1016-W1071 VanDerWaalsContact OG-CZ2 3.25Å; S1016-W1071 WeakPolarHBondContact OG-CZ2 3.36Å; S1069-W1071 PolarHBondContact O-N 3.26Å; S1069-W1071 VanDerWaalsContact O-N 3.08Å; W1071-K1073 PolarHBondContact O-N 3.37Å; W1071-C1074 HydrophobicContact CE3-CB 4.47Å; W1071-C1074 PolarHBondContact O-N 2.76Å; W1071-I1075 HydrophobicContact CB-CD1 4.36Å; W1071-I1075 WeakPolarHBondContact O-CB 3.47Å; W1071-I1075 VanDerWaalsContact O-CD1 3.28Å; W1071-I1075 WeakPolarHBondContact O-CD1 3.2Å; W1071-I1075 WeakPolarHBondContact O-CG1 3.45Å; W1071-I1075 PolarHBondContact O-N 3.39Å
1072	T	81.2	Confident	65.9	Low	17 Å²	17	69 Å²	69	10%	0.104	44%	0.437	C	S	.	.	H	α-helix	trans	-60.9	-44.7	178.2	58.5	0	0	0	0	111.9	V1002 S1069 G1070 I1075 L1076	V1002-T1072 HydrophobicContact CG1-CG2 4.25Å; S1069-T1072 PolarHBondContact O-N 2.97Å; S1069-T1072 PolarHBondContact O-OG1 2.78Å; S1069-T1072 WeakPolarHBondContact OG-CG2 3.49Å; G1070-T1072 PolarHBondContact O-N 3.33Å; T1072-I1075 PolarHBondContact O-N 3.43Å; T1072-L1076 WeakPolarHBondContact O-CG 3.36Å; T1072-L1076 PolarHBondContact O-N 3.14Å; T1072-L1076 VanDerWaalsContact O-N 3.14Å
1073	K	81.5	Confident	68.9	Low	143 Å²	143	65.9 Å²	65.9	62%	0.622	40%	0.404	S	S	*	.	H	α-helix	trans	-64.3	-43.8	174.8	-65.7	-176.7	178.5	-178.8	0	111.3	G1070 W1071 I1075 L1076 G1077	G1070-K1073 PolarHBondContact O-N 2.89Å; W1071-K1073 PolarHBondContact O-N 3.37Å; K1073-I1075 PolarHBondContact O-N 2.88Å; K1073-L1076 PolarHBondContact O-N 3.38Å; K1073-G1077 PolarHBondContact O-N 3.36Å
1074	C	82.9	Confident	71.4	Confident	68 Å²	68	66 Å²	66	46%	0.459	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-38.4	177.1	-64.7	0	0	0	0	113.2	G1070 W1071 G1077 L1078	G1070-C1074 PolarHBondContact O-N 2.67Å; G1070-C1074 VanDerWaalsContact O-N 3.13Å; G1070-C1074 PolarHBondContact O-SG 2.98Å; W1071-C1074 HydrophobicContact CE3-CB 4.47Å; W1071-C1074 PolarHBondContact O-N 2.76Å; C1074-G1077 PolarHBondContact O-N 3.18Å; C1074-L1078 WeakPolarHBondContact O-CB 3.42Å; C1074-L1078 VanDerWaalsContact O-CG 3.29Å; C1074-L1078 WeakPolarHBondContact O-CG 3.46Å; C1074-L1078 PolarHBondContact O-N 3.29Å
1075	I	86.4	Confident	74.2	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-46.3	177.2	-69.3	156.3	0	0	0	110.2	I991 M995 V1002 I1005 F1009 W1071 T1072 K1073 L1078 L1079	I991-I1075 HydrophobicContact CD1-CG1 4.42Å; I991-I1075 HydrophobicContact CD1-CG2 4.43Å; I991-I1075 HydrophobicContact CG1-CG2 4.43Å; I991-I1075 HydrophobicContact CG2-CG2 4.09Å; M995-I1075 HydrophobicContact SD-CG2 4.14Å; V1002-I1075 HydrophobicContact CG1-CB 4.26Å; V1002-I1075 HydrophobicContact CG1-CD1 4.39Å; V1002-I1075 HydrophobicContact CG1-CG2 4.06Å; I1005-I1075 HydrophobicContact CB-CD1 4.24Å; I1005-I1075 HydrophobicContact CG2-CD1 3.77Å; I1005-I1075 HydrophobicContact CG2-CG1 4.3Å; F1009-I1075 HydrophobicContact CD2-CD1 4.1Å; F1009-I1075 HydrophobicContact CD2-CG1 4.22Å; F1009-I1075 HydrophobicContact CE2-CG1 4.41Å; W1071-I1075 HydrophobicContact CB-CD1 4.36Å; W1071-I1075 WeakPolarHBondContact O-CB 3.47Å; W1071-I1075 VanDerWaalsContact O-CD1 3.28Å; W1071-I1075 WeakPolarHBondContact O-CD1 3.2Å; W1071-I1075 WeakPolarHBondContact O-CG1 3.45Å; W1071-I1075 PolarHBondContact O-N 3.39Å; T1072-I1075 PolarHBondContact O-N 3.43Å; K1073-I1075 PolarHBondContact O-N 2.88Å; I1075-L1078 PolarHBondContact O-N 3.1Å; I1075-L1079 WeakPolarHBondContact O-CB 3.41Å; I1075-L1079 PolarHBondContact O-N 3.15Å
1076	L	85	Confident	76.8	Confident	63 Å²	63	54.8 Å²	54.8	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.3	-69.4	168.2	0	0	0	112	F960 V1002 T1072 K1073 L1079 F1080	F960-L1076 HydrophobicContact CB-CD2 4.06Å; F960-L1076 HydrophobicContact CD1-CD2 4.02Å; F960-L1076 HydrophobicContact CG-CD2 3.95Å; V1002-L1076 HydrophobicContact CG1-CG 4.46Å; V1002-L1076 HydrophobicContact CG2-CD2 4.36Å; T1072-L1076 WeakPolarHBondContact O-CG 3.36Å; T1072-L1076 PolarHBondContact O-N 3.14Å; T1072-L1076 VanDerWaalsContact O-N 3.14Å; K1073-L1076 PolarHBondContact O-N 3.38Å; L1076-L1079 WeakPolarHBondContact O-CB 3.32Å; L1076-L1079 PolarHBondContact O-N 3.36Å; L1076-F1080 PolarHBondContact O-N 3Å
1077	G	85.3	Confident	79.5	Confident	41 Å²	41	52.4 Å²	52.4	42%	0.423	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-40.8	174	0	0	0	0	0	113.3	K1073 C1074 F1080 V1081	K1073-G1077 PolarHBondContact O-N 3.36Å; C1074-G1077 PolarHBondContact O-N 3.18Å; G1077-F1080 PolarHBondContact O-N 3.5Å; G1077-V1081 PolarHBondContact O-N 2.95Å
1078	L	87.8	Confident	82	Confident	55 Å²	55	50.3 Å²	50.3	29%	0.288	27%	0.273	S	S	.	.	H	α-helix	trans	-67.9	-34.5	173.6	-73.5	171.4	0	0	0	112.3	T987 Q988 I991 C1074 I1075 V1081 I1082	T987-L1078 HydrophobicContact CG2-CD1 4.34Å; Q988-L1078 HydrophobicContact CG-CB 4.47Å; Q988-L1078 HydrophobicContact CG-CD2 4.11Å; I991-L1078 HydrophobicContact CD1-CB 3.79Å; I991-L1078 HydrophobicContact CD1-CD1 3.64Å; I991-L1078 HydrophobicContact CD1-CG 4.38Å; C1074-L1078 WeakPolarHBondContact O-CB 3.42Å; C1074-L1078 VanDerWaalsContact O-CG 3.29Å; C1074-L1078 WeakPolarHBondContact O-CG 3.46Å; C1074-L1078 PolarHBondContact O-N 3.29Å; I1075-L1078 PolarHBondContact O-N 3.1Å; L1078-V1081 PolarHBondContact O-N 3.48Å; L1078-I1082 VanDerWaalsContact O-CG1 3.3Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.43Å; L1078-I1082 PolarHBondContact O-N 3.38Å
1079	L	87.4	Confident	84	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-39.2	175.8	-173.4	68.4	0	0	0	112.3	F960 L967 I991 M995 I1075 L1076 V1081 I1082 V1083	F960-L1079 HydrophobicContact CD2-CD2 3.4Å; F960-L1079 VanDerWaalsContact CD2-CD2 3.4Å; F960-L1079 HydrophobicContact CE2-CD2 3.63Å; F960-L1079 HydrophobicContact CG-CD2 4.32Å; L967-L1079 HydrophobicContact CD1-CD1 3.88Å; L967-L1079 HydrophobicContact CD2-CD1 3.92Å; I991-L1079 HydrophobicContact CG2-CD1 4.39Å; M995-L1079 HydrophobicContact CE-CD2 3.72Å; M995-L1079 HydrophobicContact SD-CD1 4.2Å; M995-L1079 HydrophobicContact SD-CD2 3.99Å; I1075-L1079 WeakPolarHBondContact O-CB 3.41Å; I1075-L1079 PolarHBondContact O-N 3.15Å; L1076-L1079 WeakPolarHBondContact O-CB 3.32Å; L1076-L1079 PolarHBondContact O-N 3.36Å; L1079-V1081 VanDerWaalsContact C-N 3.32Å; L1079-V1081 PolarHBondContact O-N 3.05Å; L1079-I1082 HydrophobicContact CD1-CD1 4.49Å; L1079-I1082 WeakPolarHBondContact O-CB 3.37Å; L1079-I1082 PolarHBondContact O-N 3.48Å; L1079-V1083 WeakPolarHBondContact O-CG2 3.22Å; L1079-V1083 PolarHBondContact O-N 2.95Å
1080	F	87.8	Confident	85.4	Confident	57 Å²	57	43.2 Å²	43.2	25%	0.25	23%	0.232	C	C	.	.	H	α-helix	trans	-56	-45.5	170.9	175.6	-91.4	0	0	0	111.8	Y953 S954 L1076 G1077 R1084	Y953-F1080 HydrophobicContact CE1-CB 4.49Å; Y953-F1080 WeakPolarHBondContact O-CD2 3.17Å; Y953-F1080 WeakPolarHBondContact O-CE2 3.37Å; S954-F1080 VanDerWaalsContact O-CZ 3.31Å; S954-F1080 WeakPolarHBondContact O-CZ 3.43Å; L1076-F1080 PolarHBondContact O-N 3Å; G1077-F1080 PolarHBondContact O-N 3.5Å; F1080-R1084 WeakPolarHBondContact O-CB 3.21Å; F1080-R1084 PolarHBondContact O-N 2.89Å
1081	V	88.8	Confident	86.1	Confident	56 Å²	56	43.3 Å²	43.3	34%	0.339	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-43.4	175.9	-179.3	0	0	0	0	111.7	G1077 L1078 L1079 V1083 R1084 E1085	G1077-V1081 PolarHBondContact O-N 2.95Å; L1078-V1081 PolarHBondContact O-N 3.48Å; L1079-V1081 VanDerWaalsContact C-N 3.32Å; L1079-V1081 PolarHBondContact O-N 3.05Å; V1081-V1083 PolarHBondContact O-N 3.32Å; V1081-R1084 PolarHBondContact O-N 3.11Å; V1081-E1085 PolarHBondContact O-N 2.94Å
1082	I	89.5	Confident	86.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-54	176.6	-70.5	164.1	0	0	0	110.8	L984 Q988 I991 L992 L1078 L1079 R1084 E1085 H1086	L984-I1082 HydrophobicContact CD1-CG1 4.27Å; L984-I1082 HydrophobicContact CD1-CG2 4.02Å; L984-I1082 HydrophobicContact CD2-CB 4.37Å; L984-I1082 HydrophobicContact CD2-CG1 4.1Å; L984-I1082 HydrophobicContact CD2-CG2 4.35Å; Q988-I1082 HydrophobicContact CB-CD1 3.7Å; Q988-I1082 HydrophobicContact CB-CG1 3.65Å; Q988-I1082 HydrophobicContact CG-CD1 4.04Å; Q988-I1082 HydrophobicContact CG-CG1 3.83Å; Q988-I1082 VanDerWaalsContact O-CD1 3.27Å; Q988-I1082 WeakPolarHBondContact O-CD1 3.5Å; I991-I1082 HydrophobicContact CB-CD1 4.16Å; I991-I1082 HydrophobicContact CG2-CD1 4.02Å; L992-I1082 HydrophobicContact CB-CG2 4.5Å; L992-I1082 HydrophobicContact CD1-CG2 4.17Å; L992-I1082 HydrophobicContact CD2-CG2 4.33Å; L1078-I1082 VanDerWaalsContact O-CG1 3.3Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.43Å; L1078-I1082 PolarHBondContact O-N 3.38Å; L1079-I1082 HydrophobicContact CD1-CD1 4.49Å; L1079-I1082 WeakPolarHBondContact O-CB 3.37Å; L1079-I1082 PolarHBondContact O-N 3.48Å; I1082-R1084 VanDerWaalsContact C-N 3.31Å; I1082-R1084 PolarHBondContact O-N 3.45Å; I1082-E1085 PolarHBondContact O-N 2.82Å; I1082-H1086 PolarHBondContact O-CD2 2.91Å; I1082-H1086 PolarHBondContact O-N 3.39Å
1083	V	89.4	Confident	86.5	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-37.7	-177.7	174.5	0	0	0	0	111	L950 Y953 V963 L967 L1079 V1081 E1085 H1086 I1087	L950-V1083 HydrophobicContact CD2-CG1 3.78Å; Y953-V1083 HydrophobicContact CD1-CB 3.92Å; Y953-V1083 HydrophobicContact CD1-CG1 3.67Å; Y953-V1083 HydrophobicContact CD1-CG2 4.27Å; Y953-V1083 HydrophobicContact CE1-CB 3.91Å; Y953-V1083 HydrophobicContact CE1-CG1 4.18Å; Y953-V1083 HydrophobicContact CE1-CG2 3.97Å; V963-V1083 HydrophobicContact CG1-CG2 4.44Å; L967-V1083 HydrophobicContact CD1-CG2 4.4Å; L1079-V1083 WeakPolarHBondContact O-CG2 3.22Å; L1079-V1083 PolarHBondContact O-N 2.95Å; V1081-V1083 PolarHBondContact O-N 3.32Å; V1083-E1085 PolarHBondContact O-N 2.85Å; V1083-H1086 PolarHBondContact O-N 2.91Å; V1083-I1087 HydrophobicContact CG1-CD1 3.66Å; V1083-I1087 HydrophobicContact CG1-CG1 4.37Å; V1083-I1087 WeakPolarHBondContact O-CD1 3.48Å; V1083-I1087 VanDerWaalsContact O-CG1 3.27Å; V1083-I1087 WeakPolarHBondContact O-CG1 3.33Å; V1083-I1087 PolarHBondContact O-N 3.08Å
1084	R	89	Confident	86.5	Confident	128 Å²	128	38.1 Å²	38.1	48%	0.483	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-42.5	174.3	-172.3	178.9	-177.1	-160	2.1	112.9	F1080 V1081 I1082 I1087 K1088	F1080-R1084 WeakPolarHBondContact O-CB 3.21Å; F1080-R1084 PolarHBondContact O-N 2.89Å; V1081-R1084 PolarHBondContact O-N 3.11Å; I1082-R1084 VanDerWaalsContact C-N 3.31Å; I1082-R1084 PolarHBondContact O-N 3.45Å; R1084-I1087 PolarHBondContact O-N 3.11Å; R1084-K1088 WeakPolarHBondContact O-CG 3.38Å; R1084-K1088 PolarHBondContact O-N 3.18Å
1085	E	88.3	Confident	86.3	Confident	57 Å²	57	37 Å²	37	27%	0.266	20%	0.2	S	C	.	.	H	α-helix	trans	-70.1	-35.7	175.9	-63	-46.3	121.6	0	0	112.8	V982 L984 V1081 I1082 V1083 K1088 S1089	V982-E1085 HydrophobicContact CG1-CB 4.21Å; L984-E1085 HydrophobicContact CD2-CB 4.4Å; V1081-E1085 PolarHBondContact O-N 2.94Å; I1082-E1085 PolarHBondContact O-N 2.82Å; V1083-E1085 PolarHBondContact O-N 2.85Å; E1085-K1088 VanDerWaalsContact CD-NZ 3.28Å; E1085-K1088 PolarHBondContact O-N 3Å; E1085-K1088 WeakPolarHBondContact OE1-CE 3.25Å; E1085-K1088 IonicContact OE1-NZ 2.73Å; E1085-K1088 PolarHBondContact OE1-NZ 3.46Å; E1085-K1088 VanDerWaalsContact OE2-CD 3.27Å; E1085-K1088 WeakPolarHBondContact OE2-CD 3.25Å; E1085-K1088 IonicContact OE2-NZ 2.78Å; E1085-K1088 PolarHBondContact OE2-NZ 3.31Å; E1085-K1088 VanDerWaalsContact OE2-NZ 3.07Å; E1085-S1089 PolarHBondContact O-N 3.45Å; E1085-S1089 VanDerWaalsContact O-N 3.17Å
1086	H	87.5	Confident	85.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-46.9	171.3	-75.7	-64.2	0	0	0	112	L970 Y974 L992 I1082 V1083 K1088 S1089 L1090	L970-H1086 HydrophobicContact CD2-CB 4.23Å; Y974-H1086 AromaticContact CD2-CE1 3.68Å; Y974-H1086 AromaticContact CG-CE1 3.87Å; L992-H1086 WeakPolarHBondContact CD2-NE2 3.44Å; I1082-H1086 PolarHBondContact O-CD2 2.91Å; I1082-H1086 PolarHBondContact O-N 3.39Å; V1083-H1086 PolarHBondContact O-N 2.91Å; H1086-K1088 PolarHBondContact O-N 3.49Å; H1086-S1089 PolarHBondContact O-N 3.07Å; H1086-S1089 VanDerWaalsContact O-N 3.08Å; H1086-S1089 PolarHBondContact O-OG 2.81Å; H1086-L1090 WeakPolarHBondContact O-CG 3.37Å; H1086-L1090 PolarHBondContact O-N 3.04Å
1087	I	89.1	Confident	84.2	Confident	13 Å²	13	40.6 Å²	40.6	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-44.4	179	-66.9	156.6	0	0	0	110.9	L950 R951 V1083 R1084 S1089 L1090 D1091	L950-I1087 VanDerWaalsContact C-CD1 3.46Å; L950-I1087 HydrophobicContact CB-CD1 3.83Å; L950-I1087 HydrophobicContact CB-CG1 3.99Å; L950-I1087 WeakPolarHBondContact O-CD1 3.48Å; R951-I1087 HydrophobicContact CG-CG2 4.16Å; V1083-I1087 HydrophobicContact CG1-CD1 3.66Å; V1083-I1087 HydrophobicContact CG1-CG1 4.37Å; V1083-I1087 WeakPolarHBondContact O-CD1 3.48Å; V1083-I1087 VanDerWaalsContact O-CG1 3.27Å; V1083-I1087 WeakPolarHBondContact O-CG1 3.33Å; V1083-I1087 PolarHBondContact O-N 3.08Å; R1084-I1087 PolarHBondContact O-N 3.11Å; I1087-S1089 PolarHBondContact O-N 3.27Å; I1087-L1090 PolarHBondContact O-N 3.29Å; I1087-D1091 WeakPolarHBondContact CG2-OD2 3.44Å; I1087-D1091 WeakPolarHBondContact O-CB 3.16Å; I1087-D1091 PolarHBondContact O-N 2.84Å
1088	K	87.2	Confident	83.1	Confident	105 Å²	105	47 Å²	47	46%	0.457	23%	0.233	S	C	.	.	H	α-helix	trans	-53.2	-41.5	173	-76	169.7	172.4	177.8	0	112.4	R1084 E1085 H1086 S1092	R1084-K1088 WeakPolarHBondContact O-CG 3.38Å; R1084-K1088 PolarHBondContact O-N 3.18Å; E1085-K1088 VanDerWaalsContact CD-NZ 3.28Å; E1085-K1088 PolarHBondContact O-N 3Å; E1085-K1088 WeakPolarHBondContact OE1-CE 3.25Å; E1085-K1088 IonicContact OE1-NZ 2.73Å; E1085-K1088 PolarHBondContact OE1-NZ 3.46Å; E1085-K1088 VanDerWaalsContact OE2-CD 3.27Å; E1085-K1088 WeakPolarHBondContact OE2-CD 3.25Å; E1085-K1088 IonicContact OE2-NZ 2.78Å; E1085-K1088 PolarHBondContact OE2-NZ 3.31Å; E1085-K1088 VanDerWaalsContact OE2-NZ 3.07Å; H1086-K1088 PolarHBondContact O-N 3.49Å; K1088-S1092 WeakPolarHBondContact O-CB 3.41Å; K1088-S1092 PolarHBondContact O-N 2.93Å
1089	S	85.7	Confident	81.7	Confident	4 Å²	4	51 Å²	51	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-72	-40.2	179.3	72.3	0	0	0	0	113.1	V982 E1085 H1086 I1087 S1092 I1093	V982-S1089 VanDerWaalsContact CG2-CB 3.43Å; V982-S1089 WeakPolarHBondContact CG2-OG 3.15Å; E1085-S1089 PolarHBondContact O-N 3.45Å; E1085-S1089 VanDerWaalsContact O-N 3.17Å; H1086-S1089 PolarHBondContact O-N 3.07Å; H1086-S1089 VanDerWaalsContact O-N 3.08Å; H1086-S1089 PolarHBondContact O-OG 2.81Å; I1087-S1089 PolarHBondContact O-N 3.27Å; S1089-S1092 PolarHBondContact O-N 2.88Å; S1089-S1092 PolarHBondContact O-OG 3.14Å; S1089-I1093 WeakPolarHBondContact O-CG1 3.32Å; S1089-I1093 PolarHBondContact O-N 3.05Å; S1089-I1093 VanDerWaalsContact O-N 3.1Å
1090	L	85.4	Confident	79.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-45.7	175.8	-68.4	171.5	0	0	0	110.7	L933 I938 L970 L979 H1086 I1087 S1092 I1093 L1094	L933-L1090 HydrophobicContact CD2-CD2 4.12Å; I938-L1090 HydrophobicContact CD1-CD2 4.1Å; I938-L1090 HydrophobicContact CG1-CD2 4.26Å; L970-L1090 HydrophobicContact CD2-CD1 4.02Å; L979-L1090 HydrophobicContact CD2-CD2 4.25Å; H1086-L1090 WeakPolarHBondContact O-CG 3.37Å; H1086-L1090 PolarHBondContact O-N 3.04Å; I1087-L1090 PolarHBondContact O-N 3.29Å; L1090-S1092 VanDerWaalsContact C-N 3.28Å; L1090-S1092 PolarHBondContact O-N 2.83Å; L1090-I1093 PolarHBondContact O-N 3.23Å; L1090-L1094 WeakPolarHBondContact O-CB 3.37Å; L1090-L1094 VanDerWaalsContact O-CG 3.3Å; L1090-L1094 WeakPolarHBondContact O-CG 3.26Å; L1090-L1094 PolarHBondContact O-N 2.81Å
1091	D	85.1	Confident	78.1	Confident	56 Å²	56	60.1 Å²	60.1	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-31.3	174.4	-76.9	-29.9	0	0	0	111.9	R951 I1087 L1094 A1095	R951-D1091 IonicContact CZ-OD1 2.77Å; R951-D1091 IonicContact NE-OD1 3.78Å; R951-D1091 IonicContact NE-OD2 3.28Å; R951-D1091 IonicContact NH2-OD1 3.34Å; R951-D1091 PolarHBondContact NH2-OD1 2.97Å; I1087-D1091 WeakPolarHBondContact CG2-OD2 3.44Å; I1087-D1091 WeakPolarHBondContact O-CB 3.16Å; I1087-D1091 PolarHBondContact O-N 2.84Å; D1091-L1094 PolarHBondContact O-N 2.94Å; D1091-A1095 WeakPolarHBondContact O-CB 3.1Å; D1091-A1095 PolarHBondContact O-N 2.82Å
1092	S	84.3	Confident	76.4	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-68.8	-36.7	173.3	74.1	0	0	0	0	113.5	K1088 S1089 L1090 A1095 S1096	K1088-S1092 WeakPolarHBondContact O-CB 3.41Å; K1088-S1092 PolarHBondContact O-N 2.93Å; S1089-S1092 PolarHBondContact O-N 2.88Å; S1089-S1092 PolarHBondContact O-OG 3.14Å; L1090-S1092 VanDerWaalsContact C-N 3.28Å; L1090-S1092 PolarHBondContact O-N 2.83Å; S1092-A1095 PolarHBondContact O-N 3.06Å; S1092-S1096 PolarHBondContact O-N 2.84Å
1093	I	82.3	Confident	74.5	Confident	20 Å²	20	67.8 Å²	67.8	10%	0.103	33%	0.326	C	S	.	.	H	α-helix	trans	-74.4	-36.2	175.8	-65.6	164.9	0	0	0	110.2	L933 Q935 I938 L979 S1089 L1090 A1095 S1096	L933-I1093 WeakPolarHBondContact O-CG2 3.41Å; Q935-I1093 PolarHBondContact NE2-O 2.85Å; I938-I1093 HydrophobicContact CD1-CB 4.11Å; I938-I1093 HydrophobicContact CD1-CG2 3.63Å; L979-I1093 HydrophobicContact CD2-CD1 3.57Å; S1089-I1093 WeakPolarHBondContact O-CG1 3.32Å; S1089-I1093 PolarHBondContact O-N 3.05Å; S1089-I1093 VanDerWaalsContact O-N 3.1Å; L1090-I1093 PolarHBondContact O-N 3.23Å; I1093-A1095 VanDerWaalsContact C-N 3.26Å; I1093-A1095 PolarHBondContact O-N 3.05Å; I1093-S1096 PolarHBondContact O-OG 3.26Å; I1093-S1096 VanDerWaalsContact O-OG 3.07Å
1094	L	82	Confident	72.4	Confident	21 Å²	21	70.6 Å²	70.6	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-67.6	-26.1	172.1	-69.6	172.8	0	0	0	112.4	Q935 I938 L947 L1090 D1091 R1098	Q935-L1094 HydrophobicContact CG-CD2 4.28Å; Q935-L1094 VanDerWaalsContact NE2-CA 3.27Å; Q935-L1094 PolarHBondContact NE2-O 3.16Å; Q935-L1094 VanDerWaalsContact NE2-O 3.14Å; I938-L1094 HydrophobicContact CD1-CD2 4.37Å; I938-L1094 HydrophobicContact CD1-CG 4.39Å; I938-L1094 HydrophobicContact CG2-CD2 4.24Å; L947-L1094 HydrophobicContact CD1-CD1 4.23Å; L1090-L1094 WeakPolarHBondContact O-CB 3.37Å; L1090-L1094 VanDerWaalsContact O-CG 3.3Å; L1090-L1094 WeakPolarHBondContact O-CG 3.26Å; L1090-L1094 PolarHBondContact O-N 2.81Å; D1091-L1094 PolarHBondContact O-N 2.94Å; L1094-R1098 WeakPolarHBondContact O-CD 3.18Å; L1094-R1098 VanDerWaalsContact O-CG 3.3Å; L1094-R1098 WeakPolarHBondContact O-CG 3.49Å
1095	A	79.1	Confident	70.4	Confident	45 Å²	45	71.5 Å²	71.5	37%	0.372	35%	0.353	S	S	.	.	H	α-helix	trans	-90.3	-31	179.4	0	0	0	0	0	114.7	D1091 S1092 I1093 R1098 K1099	D1091-A1095 WeakPolarHBondContact O-CB 3.1Å; D1091-A1095 PolarHBondContact O-N 2.82Å; S1092-A1095 PolarHBondContact O-N 3.06Å; I1093-A1095 VanDerWaalsContact C-N 3.26Å; I1093-A1095 PolarHBondContact O-N 3.05Å; A1095-R1098 WeakPolarHBondContact O-CB 3.41Å; A1095-R1098 PolarHBondContact O-N 2.91Å; A1095-K1099 PolarHBondContact O-N 3.39Å; A1095-K1099 VanDerWaalsContact O-N 3.12Å
1096	S	70.8	Confident	68.4	Low	63 Å²	63	76.5 Å²	76.5	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-52.9	180	55.6	0	0	0	0	111.4	S1092 I1093 R1098 K1099 C1100	S1092-S1096 PolarHBondContact O-N 2.84Å; I1093-S1096 PolarHBondContact O-OG 3.26Å; I1093-S1096 VanDerWaalsContact O-OG 3.07Å; S1096-R1098 VanDerWaalsContact C-N 3.25Å; S1096-R1098 PolarHBondContact O-N 3.49Å; S1096-K1099 WeakPolarHBondContact O-CA 3.46Å; S1096-K1099 WeakPolarHBondContact O-CB 3.5Å; S1096-K1099 PolarHBondContact O-N 3.01Å; S1096-C1100 PolarHBondContact O-N 3.37Å; S1096-C1100 VanDerWaalsContact O-N 3.09Å; S1096-C1100 PolarHBondContact O-SG 3.06Å
1097	E	57.4	Low	66.3	Low	77 Å²	77	83.3 Å²	83.3	36%	0.36	41%	0.41	S	S	.	.	H	α-helix	trans	-68.3	-23.9	179	-131.4	-179.8	-96.1	0	0	112.6	Q935 C1100 R1101	Q935-E1097 HydrophobicContact CG-CB 4.3Å; E1097-C1100 PolarHBondContact O-N 3.15Å; E1097-R1101 WeakPolarHBondContact O-CB 3.43Å; E1097-R1101 WeakPolarHBondContact O-CG 3.43Å; E1097-R1101 PolarHBondContact O-N 2.88Å
1098	R	60.3	Low	64	Low	176 Å²	176	88 Å²	88	66%	0.664	44%	0.44	S	S	*	.	H	α-helix	trans	-66.3	-36.5	168.7	-79.1	178.3	179.3	-161.2	-1.5	111.9	L1094 A1095 S1096 I1102	L1094-R1098 WeakPolarHBondContact O-CD 3.18Å; L1094-R1098 VanDerWaalsContact O-CG 3.3Å; L1094-R1098 WeakPolarHBondContact O-CG 3.49Å; A1095-R1098 WeakPolarHBondContact O-CB 3.41Å; A1095-R1098 PolarHBondContact O-N 2.91Å; S1096-R1098 VanDerWaalsContact C-N 3.25Å; S1096-R1098 PolarHBondContact O-N 3.49Å; R1098-I1102 WeakPolarHBondContact O-CD1 3.28Å; R1098-I1102 VanDerWaalsContact O-CG1 3.25Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.35Å; R1098-I1102 PolarHBondContact O-N 3.41Å; R1098-I1102 VanDerWaalsContact O-N 3.09Å
1099	K	58.9	Low	61.6	Low	137 Å²	137	88.7 Å²	88.7	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-66.3	-48.4	170.9	-68.7	-172.4	174.5	-170.9	0	110.9	A1095 S1096 R1101 I1102 E1103	A1095-K1099 PolarHBondContact O-N 3.39Å; A1095-K1099 VanDerWaalsContact O-N 3.12Å; S1096-K1099 WeakPolarHBondContact O-CA 3.46Å; S1096-K1099 WeakPolarHBondContact O-CB 3.5Å; S1096-K1099 PolarHBondContact O-N 3.01Å; K1099-R1101 PolarHBondContact O-N 3.16Å; K1099-I1102 CarbonylContact O-C 3.56Å; K1099-I1102 WeakPolarHBondContact O-CA 3.42Å; K1099-I1102 PolarHBondContact O-N 3.03Å; K1099-E1103 PolarHBondContact O-N 2.84Å
1100	C	49.8	Very low	58.9	Low	74 Å²	74	97 Å²	97	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-56.5	-37.3	176	-56.2	0	0	0	0	112.7	S1096 E1097 S1104	S1096-C1100 PolarHBondContact O-N 3.37Å; S1096-C1100 VanDerWaalsContact O-N 3.09Å; S1096-C1100 PolarHBondContact O-SG 3.06Å; E1097-C1100 PolarHBondContact O-N 3.15Å; C1100-S1104 WeakPolarHBondContact O-CB 3.33Å; C1100-S1104 PolarHBondContact O-N 3.18Å; C1100-S1104 PolarHBondContact O-OG 2.86Å
1101	R	49.5	Very low	56.3	Low	177 Å²	177	99.7 Å²	99.7	67%	0.668	52%	0.519	S	S	*	.	H	α-helix	trans	-73.2	-22.8	173.7	-80.2	-171.5	176.6	-155.6	-1.3	114.8	E1097 K1099 S1104 K1105	E1097-R1101 WeakPolarHBondContact O-CB 3.43Å; E1097-R1101 WeakPolarHBondContact O-CG 3.43Å; E1097-R1101 PolarHBondContact O-N 2.88Å; K1099-R1101 PolarHBondContact O-N 3.16Å; R1101-S1104 WeakPolarHBondContact CA-OG 3.36Å; R1101-K1105 VanDerWaalsContact O-CB 3.26Å; R1101-K1105 WeakPolarHBondContact O-CB 3.24Å; R1101-K1105 VanDerWaalsContact O-CG 3.3Å; R1101-K1105 WeakPolarHBondContact O-CG 3.3Å; R1101-K1105 PolarHBondContact O-N 2.87Å
1102	I	54.4	Low	53.7	Low	107 Å²	107	106.3 Å²	106.3	55%	0.549	55%	0.548	S	S	.	.	H	α-helix	trans	-84.8	-37.2	174.5	-71.4	165.3	0	0	0	110.3	R1098 K1099 K1105 K1106	R1098-I1102 WeakPolarHBondContact O-CD1 3.28Å; R1098-I1102 VanDerWaalsContact O-CG1 3.25Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.35Å; R1098-I1102 PolarHBondContact O-N 3.41Å; R1098-I1102 VanDerWaalsContact O-N 3.09Å; K1099-I1102 CarbonylContact O-C 3.56Å; K1099-I1102 WeakPolarHBondContact O-CA 3.42Å; K1099-I1102 PolarHBondContact O-N 3.03Å; I1102-K1105 PolarHBondContact O-N 2.85Å; I1102-K1106 WeakPolarHBondContact O-CG 3.45Å; I1102-K1106 PolarHBondContact O-N 2.85Å; I1102-K1106 VanDerWaalsContact O-N 3.1Å
1103	E	48.8	Very low	51.1	Low	110 Å²	110	112.1 Å²	112.1	51%	0.514	58%	0.575	S	S	.	*	H	α-helix	trans	-68.9	-51.8	176.4	-72.9	156.6	-173.5	0	0	110.4	K1099 K1105 K1106 D1107	K1099-E1103 PolarHBondContact O-N 2.84Å; E1103-K1105 PolarHBondContact O-N 3.12Å; E1103-K1106 WeakPolarHBondContact O-CA 3.29Å; E1103-K1106 WeakPolarHBondContact O-CB 3.32Å; E1103-K1106 PolarHBondContact O-N 2.73Å; E1103-D1107 PolarHBondContact O-N 2.66Å; E1103-D1107 VanDerWaalsContact O-N 3.09Å
1104	S	46.3	Very low	48.5	Very low	60 Å²	60	120.1 Å²	120.1	42%	0.42	61%	0.612	S	S	.	*	H	α-helix	trans	-60.9	-28.5	173.1	53.5	0	0	0	0	114.1	C1100 R1101 T1108	C1100-S1104 WeakPolarHBondContact O-CB 3.33Å; C1100-S1104 PolarHBondContact O-N 3.18Å; C1100-S1104 PolarHBondContact O-OG 2.86Å; R1101-S1104 WeakPolarHBondContact CA-OG 3.36Å; S1104-T1108 WeakPolarHBondContact O-CB 3.42Å; S1104-T1108 PolarHBondContact O-N 2.74Å; S1104-T1108 PolarHBondContact O-OG1 3.46Å
1105	K	46	Very low	46	Very low	148 Å²	148	124.9 Å²	124.9	64%	0.643	64%	0.644	S	S	*	*	H	α-helix	trans	-77.8	-13.7	170.9	-83.5	-165.3	168.7	-159.3	0	114.7	R1101 I1102 E1103 I1109	R1101-K1105 VanDerWaalsContact O-CB 3.26Å; R1101-K1105 WeakPolarHBondContact O-CB 3.24Å; R1101-K1105 VanDerWaalsContact O-CG 3.3Å; R1101-K1105 WeakPolarHBondContact O-CG 3.3Å; R1101-K1105 PolarHBondContact O-N 2.87Å; I1102-K1105 PolarHBondContact O-N 2.85Å; E1103-K1105 PolarHBondContact O-N 3.12Å; K1105-I1109 WeakPolarHBondContact O-CD1 2.95Å; K1105-I1109 VanDerWaalsContact O-CG1 3.3Å; K1105-I1109 WeakPolarHBondContact O-CG1 3.43Å
1106	K	46.4	Very low	43.8	Very low	162 Å²	162	129.1 Å²	129.1	70%	0.704	67%	0.665	S	S	*	*	H	α-helix	trans	-81.6	-40.4	166.8	-76.7	-178.5	172	-168.8	0	110.9	I1102 E1103 T1108	I1102-K1106 WeakPolarHBondContact O-CG 3.45Å; I1102-K1106 PolarHBondContact O-N 2.85Å; I1102-K1106 VanDerWaalsContact O-N 3.1Å; E1103-K1106 WeakPolarHBondContact O-CA 3.29Å; E1103-K1106 WeakPolarHBondContact O-CB 3.32Å; E1103-K1106 PolarHBondContact O-N 2.73Å; K1106-T1108 PolarHBondContact O-N 3.16Å
1107	D	42.9	Very low	41.8	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-2.7	-176.3	-57.9	-20.1	0	0	0	114.1	E1103	E1103-D1107 PolarHBondContact O-N 2.66Å; E1103-D1107 VanDerWaalsContact O-N 3.09Å
1108	T	41.1	Very low	40.4	Very low	112 Å²	112	136 Å²	136	69%	0.687	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	16.8	-178.1	-31.1	0	0	0	0	113.9	S1104 K1106	S1104-T1108 WeakPolarHBondContact O-CB 3.42Å; S1104-T1108 PolarHBondContact O-N 2.74Å; S1104-T1108 PolarHBondContact O-OG1 3.46Å; K1106-T1108 PolarHBondContact O-N 3.16Å
1109	I	36.4	Very low	39.1	Very low	119 Å²	119	134.3 Å²	134.3	61%	0.61	71%	0.705	S	S	*	*			trans	-129.6	62.8	176.9	-49.2	178.4	0	0	0	110.5	K1105	K1105-I1109 WeakPolarHBondContact O-CD1 2.95Å; K1105-I1109 VanDerWaalsContact O-CG1 3.3Å; K1105-I1109 WeakPolarHBondContact O-CG1 3.43Å
1110	D	29.3	Very low	37.7	Very low	179 Å²	179	134.3 Å²	134.3	96%	0.957	71%	0.712	S	S	*	*	S	Bend	trans	-129.3	66	156.2	-121.9	-24.4	0	0	0	108
1111	G	30.7	Very low	37.1	Very low	58 Å²	58	138.6 Å²	138.6	60%	0.598	73%	0.729	S	S	*	*	S	Bend	trans	172.8	123.6	-175.5	0	0	0	0	0	114.5
1112	Q	32	Very low	36.2	Very low	195 Å²	195	138.2 Å²	138.2	91%	0.911	73%	0.732	S	S	*	*			trans	64.1	78.9	161.6	-59.1	-173.9	-5.1	0	0	118.1
1113	L	28.3	Very low	35.3	Very low	171 Å²	171	140.7 Å²	140.7	90%	0.895	75%	0.746	S	S	*	*			trans	-11.2	122	135.1	-67.7	144.4	0	0	0	116.7
1114	Q	28.7	Very low	34.6	Very low	188 Å²	188	138.6 Å²	138.6	88%	0.879	75%	0.754	S	S	*	*				178	127.4	124.8	-100.6	176.7	13.5	0	0	112
1115	P	29.5	Very low	33.9	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	77%	0.77	S	S	*	*			trans	-112.2	132.9	172.8	36.5	-27.1	0	0	0	113.9
1116	V	33.3	Very low	33.3	Very low	134 Å²	134	145.4 Å²	145.4	81%	0.812	78%	0.779	S	S	*	*			trans	-146.8	105.2	168.5	-176.1	0	0	0	0	105.5
1117	M	27.4	Very low	32.4	Very low	151 Å²	151	142.1 Å²	142.1	74%	0.744	78%	0.782	S	S	*	*				68.8	110.3	80.4	-70.2	-165	71.2	0	0	115.6
1118	D	27.6	Very low	31.9	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	78%	0.78	S	S	*	*			trans	57.5	137.9	141.1	-48.1	-14.7	0	0	0	122.6
1119	V	33	Very low	31.5	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	79%	0.785	S	S	*	*				-167.6	137.2	108.6	148.5	0	0	0	0	109.8
1120	D	29.7	Very low	31	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	79%	0.794	S	S	*	*			trans	-80.2	155.5	178.2	-72.3	-56.9	0	0	0	114.7
1121	L	37.1	Very low	31.1	Very low	163 Å²	163	143.8 Å²	143.8	85%	0.853	79%	0.787	S	S	*	*			trans	-167.3	92.9	144.8	-97.9	142	0	0	0	107.2
1122	K	32.5	Very low	31.1	Very low	169 Å²	169	146 Å²	146	74%	0.735	79%	0.785	S	S	*	*				75.9	144.5	77.2	-76.2	-168.8	174	179.8	0	115.5
1123	D	35	Very low	31	Very low	160 Å²	160	144.1 Å²	144.1	86%	0.856	78%	0.776	S	S	*	*			trans	63.9	115.5	170.6	-50.3	-24.7	0	0	0	117.1
1124	G	33.1	Very low	31.2	Very low	66 Å²	66	141.9 Å²	141.9	68%	0.68	77%	0.765	S	S	*	*			cis	173.6	-177.5	-4.2	0	0	0	0	0	112.4
1125	N	32.3	Very low	31.2	Very low	139 Å²	139	138.4 Å²	138.4	74%	0.743	76%	0.757	S	S	*	*			trans	63.1	122.1	169	-64.7	-17.3	0	0	0	117
1126	Y	33.6	Very low	31.3	Very low	212 Å²	212	139.9 Å²	139.9	83%	0.831	76%	0.758	S	S	*	*			cis	-142.6	147.2	6.7	-101.8	-77.9	0	0	0	111.4
1127	A	27.4	Very low	31.1	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	75%	0.746	S	S	*	*			trans	-73.3	169.6	158.1	0	0	0	0	0	109.7
1128	A	31.5	Very low	31.1	Very low	89 Å²	89	138.6 Å²	138.6	74%	0.736	75%	0.75	S	S	*	*			cis	-148.2	-172.9	19.5	0	0	0	0	0	108.8
1129	I	32.8	Very low	31.3	Very low	154 Å²	154	137.3 Å²	137.3	79%	0.79	75%	0.751	S	S	*	*			cis	-140.2	146.6	21.7	-63.9	171.5	0	0	0	109.4	V1131	I1129-V1131 HydrophobicContact CG2-CG2 4.31Å
1130	R	25.4	Very low	31.3	Very low	210 Å²	210	137.7 Å²	137.7	79%	0.792	75%	0.748	S	S	*	*			trans	-104.7	143.3	163.1	-72.2	-170	-172	158.6	-2.4	111.1	D1132	R1130-D1132 WeakPolarHBondContact CB-OD2 3.24Å; R1130-D1132 VanDerWaalsContact CD-OD2 3.22Å; R1130-D1132 WeakPolarHBondContact CD-OD2 3.42Å
1131	V	33.3	Very low	31.4	Very low	134 Å²	134	139.1 Å²	139.1	81%	0.812	75%	0.751	S	S	*	*			trans	-157.5	99.7	162	176.5	0	0	0	0	101.2	I1129	I1129-V1131 HydrophobicContact CG2-CG2 4.31Å
1132	D	28.8	Very low	31.3	Very low	104 Å²	104	137.2 Å²	137.2	56%	0.556	74%	0.742	S	S	*	*			cis	48.3	110	38.6	-57.2	-25.2	0	0	0	108.7	R1130	R1130-D1132 WeakPolarHBondContact CB-OD2 3.24Å; R1130-D1132 VanDerWaalsContact CD-OD2 3.22Å; R1130-D1132 WeakPolarHBondContact CD-OD2 3.42Å
1133	E	30.9	Very low	31.2	Very low	157 Å²	157	136 Å²	136	73%	0.734	74%	0.743	S	S	*	*				178.6	172.5	52.5	-136.7	173.2	-121.7	0	0	110.5
1134	N	32.5	Very low	31.1	Very low	123 Å²	123	132.7 Å²	132.7	66%	0.658	73%	0.732	S	S	*	*			trans	64.4	135.6	157.4	-55.3	-40.1	0	0	0	120.5
1135	T	27.8	Very low	31.2	Very low	116 Å²	116	137.1 Å²	137.1	71%	0.712	74%	0.735	S	S	*	*			cis	92.3	147.1	47.1	-41.2	0	0	0	0	112.9
1136	L	31.7	Very low	31.4	Very low	153 Å²	153	137.3 Å²	137.3	80%	0.801	73%	0.732	S	S	*	*			trans	77.8	116	174.5	-57.1	171	0	0	0	114.4
1137	S	30.4	Very low	31.5	Very low	81 Å²	81	135.7 Å²	135.7	57%	0.566	73%	0.725	S	S	*	*				75.6	104.1	66.4	76.4	0	0	0	0	113
1138	E	27.6	Very low	31.8	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	73%	0.726	S	S	*	*				95.4	152.9	102.3	-78.3	176.5	161	0	0	112.4
1139	S	30.6	Very low	31.9	Very low	106 Å²	106	144.1 Å²	144.1	74%	0.741	73%	0.731	S	S	*	*			trans	63.5	155.9	178.5	66.6	0	0	0	0	119.1
1140	D	32.4	Very low	32.2	Very low	147 Å²	147	141.8 Å²	141.8	79%	0.786	73%	0.726	S	S	*	*			cis	-171.7	173.8	-35.6	-88.7	-38.2	0	0	0	106.2
1141	E	32.7	Very low	32.5	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	72%	0.723	S	S	*	*			cis	-149.8	-154	4.2	-143.9	175.1	154.7	0	0	109.7
1142	D	33.9	Very low	32.7	Very low	124 Å²	124	136.6 Å²	136.6	66%	0.663	72%	0.716	S	S	*	*			trans	69.2	108.8	153.2	-72.9	-21.1	0	0	0	123.8
1143	N	30.8	Very low	33.1	Very low	144 Å²	144	137.3 Å²	137.3	77%	0.77	72%	0.72	S	S	*	*				47.5	130.6	123.5	-46.1	-41.7	0	0	0	120.2
1144	S	34.3	Very low	33.3	Very low	90 Å²	90	136.2 Å²	136.2	63%	0.629	72%	0.719	S	S	*	*			cis	-160.7	-167	12.3	60.3	0	0	0	0	110.6
1145	E	34.7	Very low	33.4	Very low	159 Å²	159	137 Å²	137	74%	0.743	72%	0.723	S	S	*	*			cis	-159.1	-171.3	5.6	-141.9	109.8	-129.9	0	0	110.8
1146	E	36.3	Very low	33.7	Very low	143 Å²	143	135.7 Å²	135.7	67%	0.668	72%	0.719	S	S	*	*			trans	13.3	139	152.7	-68.4	178.6	-179.4	0	0	123
1147	Y	35.7	Very low	33.9	Very low	177 Å²	177	135.3 Å²	135.3	69%	0.694	72%	0.718	S	S	*	*			cis	-156.3	155.2	3	-106.4	-50.6	0	0	0	112.7
1148	E	34.6	Very low	34.1	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	73%	0.728	S	S	*	*			trans	50	119.3	154.2	-69.7	170.8	-170.9	0	0	120.5
1149	K	33.3	Very low	34.4	Very low	190 Å²	190	135.6 Å²	135.6	83%	0.826	73%	0.727	S	S	*	*			cis	66.3	154.4	33	-103.2	-178.1	-174	178	0	115
1150	P	38.2	Very low	34.7	Very low	106 Å²	106	134.8 Å²	134.8	69%	0.688	72%	0.721	S	S	*	*			cis	-137	175.5	-2.3	38.6	-18.6	0	0	0	117.7
1151	L	32.8	Very low	34.9	Very low	139 Å²	139	136.5 Å²	136.5	73%	0.728	72%	0.722	S	S	*	*			trans	20.5	165.6	142.6	-72	79.9	0	0	0	122.1
1152	S	36.7	Very low	34.9	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	72%	0.72	S	S	*	*			cis	-156.4	145.6	28.5	53.9	0	0	0	0	114.5
1153	D	36.6	Very low	34.8	Very low	119 Å²	119	132.8 Å²	132.8	64%	0.636	71%	0.713	S	S	*	*				45.8	149.6	115.3	-36.1	-43.2	0	0	0	120
1154	D	36.1	Very low	34.9	Very low	133 Å²	133	133.5 Å²	133.5	71%	0.711	71%	0.712	S	S	*	*			cis	-146.2	151.8	19.9	-97.4	-55.3	0	0	0	110.4
1155	N	34.7	Very low	34.9	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	71%	0.714	S	S	*	*				56.4	140.5	81.9	-61.2	-48.1	0	0	0	117
1156	S	33.4	Very low	34.7	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	71%	0.711	S	S	*	*			cis	-167.8	173.6	-13.2	61.5	0	0	0	0	113.5
1157	D	35.3	Very low	34.5	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	71%	0.714	S	S	*	*			trans	72.1	156.9	147.2	-55.1	-38.6	0	0	0	127
1158	S	36.2	Very low	34.1	Very low	111 Å²	111	132 Å²	132	78%	0.776	72%	0.717	S	S	*	*			trans	101.4	87.2	154.8	70.5	0	0	0	0	123.2
1159	D	34.1	Very low	33.9	Very low	152 Å²	152	130.7 Å²	130.7	81%	0.813	72%	0.715	S	S	*	*				60.6	112.1	113.2	-74.7	7	0	0	0	125.8
1160	S	36.7	Very low	33.9	Very low	89 Å²	89	132.3 Å²	132.3	62%	0.622	72%	0.716	S	S	*	*				123.7	139.8	105.9	73.5	0	0	0	0	120.3
1161	K	35	Very low	33.5	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	73%	0.728	S	S	*	*			trans	57.2	141.6	153.2	-60.6	150.6	-171.9	165	0	117.3
1162	N	33.5	Very low	33.4	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	73%	0.728	S	S	*	*			cis	-172.3	174.7	4.6	-115.2	46.6	0	0	0	105.9
1163	S	32.5	Very low	33	Very low	74 Å²	74	136.9 Å²	136.9	52%	0.517	74%	0.743	S	S	.	*			cis	-173.2	158.4	-23.5	45.1	0	0	0	0	108.5
1164	E	32.1	Very low	32.9	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.743	75%	0.749	S	S	*	*			trans	67	148	165.6	-65.2	167	-141.8	0	0	117.4
1165	H	33.7	Very low	32.9	Very low	147 Å²	147	139.2 Å²	139.2	68%	0.681	76%	0.757	S	S	*	*			cis	-157.9	146.7	-6.6	-117.7	-37.6	0	0	0	112
1166	I	32.2	Very low	33.1	Very low	131 Å²	131	140.8 Å²	140.8	67%	0.672	76%	0.76	S	S	*	*			trans	81.8	130.9	143.6	-67.5	166.6	0	0	0	121.7
1167	N	30.8	Very low	34.3	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	75%	0.752	S	S	*	*			trans	73.6	105.1	159.5	-70	-6.6	0	0	0	123.4
1168	T	27.9	Very low	35.6	Very low	122 Å²	122	137 Å²	137	75%	0.748	74%	0.737	S	S	*	*				29.1	132.3	125.4	58.9	0	0	0	0	119.4
1169	D	30.6	Very low	37.3	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	73%	0.726	S	S	*	*			cis	-162.8	-175.4	49	-150.6	-15.6	0	0	0	114.5
1170	R	32.4	Very low	39.1	Very low	224 Å²	224	133.5 Å²	133.5	85%	0.845	72%	0.716	S	S	*	*			trans	-45.6	130.5	-167.2	-71.8	153.2	169.6	-180	-2.5	120.4
1171	L	29.5	Very low	40.8	Very low	178 Å²	178	133.2 Å²	133.2	93%	0.932	71%	0.705	S	S	*	*			trans	8.4	123.1	138.9	-75.1	161.5	0	0	0	119.3
1172	G	30.8	Very low	42.3	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	70%	0.696	S	S	*	*			trans	-166.9	79.1	167.8	0	0	0	0	0	115.4	K1174	G1172-K1174 PolarHBondContact O-N 3.38Å
1173	L	29.6	Very low	44.2	Very low	187 Å²	187	132 Å²	132	98%	0.979	69%	0.69	S	S	*	*			trans	-68.5	99.3	177.3	-85.8	164.8	0	0	0	112.5
1174	K	33.8	Very low	46.3	Very low	176 Å²	176	137.3 Å²	137.3	77%	0.765	70%	0.699	S	S	*	*			trans	-115.7	126.7	161.7	-69.8	173.4	-176.9	165.4	0	108.7	G1172 E1176	G1172-K1174 PolarHBondContact O-N 3.38Å; K1174-E1176 PolarHBondContact O-N 3.19Å; K1174-E1176 VanDerWaalsContact O-N 3.13Å
1175	S	36.8	Very low	48.4	Very low	124 Å²	124	135.6 Å²	135.6	87%	0.867	69%	0.686	S	S	*	*			trans	-78.4	92.8	170.8	58.2	0	0	0	0	109.6
1176	E	39.2	Very low	50.5	Low	174 Å²	174	130.6 Å²	130.6	81%	0.813	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-73.9	128.8	176.5	-59	-164.3	141.9	0	0	110.5	K1174 S1178	K1174-E1176 PolarHBondContact O-N 3.19Å; K1174-E1176 VanDerWaalsContact O-N 3.13Å; E1176-S1178 PolarHBondContact O-N 3Å
1177	I	57.9	Low	52.5	Low	88 Å²	88	127.1 Å²	127.1	45%	0.451	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-74.5	121	171.5	-61.8	170.3	0	0	0	106.4	D1179 E1181	I1177-D1179 PolarHBondContact O-N 2.79Å; I1177-E1181 HydrophobicContact CG2-CB 3.93Å
1178	S	63.3	Low	54.4	Low	66 Å²	66	125.2 Å²	125.2	46%	0.462	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-58.4	138.1	179.9	72.9	0	0	0	0	110.5	E1176 S1180 E1181 R1182	E1176-S1178 PolarHBondContact O-N 3Å; S1178-S1180 PolarHBondContact O-N 3.32Å; S1178-S1180 VanDerWaalsContact O-N 3.08Å; S1178-S1180 PolarHBondContact OG-OG 3.21Å; S1178-E1181 WeakPolarHBondContact O-CB 3.3Å; S1178-E1181 PolarHBondContact O-N 3.33Å; S1178-R1182 PolarHBondContact O-N 3.42Å
1179	D	70.9	Confident	56.5	Low	105 Å²	105	124 Å²	124	56%	0.561	63%	0.63	S	S	*	*	H	α-helix	trans	-63.2	-23.3	-174	-70.8	-58.3	0	0	0	112.5	I1177 E1181 R1182 E1183	I1177-D1179 PolarHBondContact O-N 2.79Å; D1179-E1181 PolarHBondContact O-N 3Å; D1179-R1182 WeakPolarHBondContact O-CB 3.44Å; D1179-R1182 PolarHBondContact O-N 3Å; D1179-R1182 VanDerWaalsContact OD1-CD 3.23Å; D1179-R1182 WeakPolarHBondContact OD1-CD 3.44Å; D1179-R1182 IonicContact OD1-CZ 3.85Å; D1179-R1182 IonicContact OD1-NE 3.81Å; D1179-R1182 IonicContact OD1-NH1 3.91Å; D1179-R1182 PolarHBondContact OD1-NH1 2.96Å; D1179-E1183 WeakPolarHBondContact O-CB 2.98Å; D1179-E1183 PolarHBondContact O-N 2.95Å
1180	S	72.8	Confident	58.5	Low	85 Å²	85	126 Å²	126	59%	0.594	63%	0.627	S	S	*	*	H	α-helix	trans	-59.3	-38.3	168.7	67.8	0	0	0	0	114	S1178 R1184	S1178-S1180 PolarHBondContact O-N 3.32Å; S1178-S1180 VanDerWaalsContact O-N 3.08Å; S1178-S1180 PolarHBondContact OG-OG 3.21Å; S1180-R1184 VanDerWaalsContact O-CB 3.28Å; S1180-R1184 WeakPolarHBondContact O-CB 3.38Å; S1180-R1184 PolarHBondContact O-N 2.79Å; S1180-R1184 VanDerWaalsContact O-N 3.09Å
1181	E	70.6	Confident	60.2	Low	83 Å²	83	120.3 Å²	120.3	39%	0.388	61%	0.61	S	S	.	*	H	α-helix	trans	-73.9	-36.9	174.1	-115.6	-135.4	113.2	0	0	111.1	I1177 S1178 D1179 R1184 R1185	I1177-E1181 HydrophobicContact CG2-CB 3.93Å; S1178-E1181 WeakPolarHBondContact O-CB 3.3Å; S1178-E1181 PolarHBondContact O-N 3.33Å; D1179-E1181 PolarHBondContact O-N 3Å; E1181-R1184 PolarHBondContact O-N 3.11Å; E1181-R1185 WeakPolarHBondContact O-CB 3.19Å; E1181-R1185 VanDerWaalsContact O-CG 3.23Å; E1181-R1185 WeakPolarHBondContact O-CG 3.47Å; E1181-R1185 PolarHBondContact O-N 3.5Å; E1181-R1185 IonicContact OE1-CZ 2.77Å; E1181-R1185 VanDerWaalsContact OE1-CZ 3.26Å; E1181-R1185 IonicContact OE1-NE 2.86Å; E1181-R1185 PolarHBondContact OE1-NE 3.14Å; E1181-R1185 IonicContact OE1-NH2 3.78Å; E1181-R1185 PolarHBondContact OE1-NH2 3.04Å; E1181-R1185 IonicContact OE2-CZ 2.89Å; E1181-R1185 IonicContact OE2-NH2 2.68Å; E1181-R1185 PolarHBondContact OE2-NH2 3.43Å
1182	R	67.6	Low	61.8	Low	163 Å²	163	116.3 Å²	116.3	62%	0.615	59%	0.589	S	S	*	*	H	α-helix	trans	-62.9	-45	177.4	-153.4	-177.4	-154	157.3	5	111.3	S1178 D1179 R1185 S1186	S1178-R1182 PolarHBondContact O-N 3.42Å; D1179-R1182 WeakPolarHBondContact O-CB 3.44Å; D1179-R1182 PolarHBondContact O-N 3Å; D1179-R1182 VanDerWaalsContact OD1-CD 3.23Å; D1179-R1182 WeakPolarHBondContact OD1-CD 3.44Å; D1179-R1182 IonicContact OD1-CZ 3.85Å; D1179-R1182 IonicContact OD1-NE 3.81Å; D1179-R1182 IonicContact OD1-NH1 3.91Å; D1179-R1182 PolarHBondContact OD1-NH1 2.96Å; R1182-R1185 PolarHBondContact O-N 3.43Å; R1182-S1186 PolarHBondContact O-N 3.05Å
1183	E	74.2	Confident	63.6	Low	135 Å²	135	117 Å²	117	63%	0.631	58%	0.575	S	S	*	*	H	α-helix	trans	-65.8	-45.6	175.4	-174.3	167.7	-134.1	0	0	111.1	D1179 R1185 S1186 T1187	D1179-E1183 WeakPolarHBondContact O-CB 2.98Å; D1179-E1183 PolarHBondContact O-N 2.95Å; E1183-R1185 VanDerWaalsContact C-N 3.32Å; E1183-R1185 PolarHBondContact O-N 2.85Å; E1183-S1186 CarbonylContact O-C 3.6Å; E1183-S1186 WeakPolarHBondContact O-CA 3.42Å; E1183-S1186 WeakPolarHBondContact O-CB 3.48Å; E1183-S1186 PolarHBondContact O-N 3.24Å; E1183-S1186 PolarHBondContact O-OG 2.85Å; E1183-T1187 PolarHBondContact O-N 2.99Å; E1183-T1187 PolarHBondContact O-OG1 3.17Å
1184	R	75.1	Confident	65.3	Low	186 Å²	186	110.9 Å²	110.9	70%	0.702	55%	0.547	S	S	*	.	H	α-helix	trans	-62.5	-34.2	176.9	-164.8	176.1	-167.7	171.5	4.6	113.4	S1180 E1181 T1187 L1188	S1180-R1184 VanDerWaalsContact O-CB 3.28Å; S1180-R1184 WeakPolarHBondContact O-CB 3.38Å; S1180-R1184 PolarHBondContact O-N 2.79Å; S1180-R1184 VanDerWaalsContact O-N 3.09Å; E1181-R1184 PolarHBondContact O-N 3.11Å; R1184-T1187 PolarHBondContact O-OG1 3.29Å; R1184-T1187 VanDerWaalsContact O-OG1 3.07Å; R1184-L1188 PolarHBondContact O-N 2.87Å
1185	R	77	Confident	66.4	Low	122 Å²	122	107.8 Å²	107.8	46%	0.46	54%	0.535	S	S	.	.	H	α-helix	trans	-70.7	-36.5	170.1	-69.6	170.1	-170.4	-162.8	7.7	111.2	E1181 R1182 E1183 I1189	E1181-R1185 WeakPolarHBondContact O-CB 3.19Å; E1181-R1185 VanDerWaalsContact O-CG 3.23Å; E1181-R1185 WeakPolarHBondContact O-CG 3.47Å; E1181-R1185 PolarHBondContact O-N 3.5Å; E1181-R1185 IonicContact OE1-CZ 2.77Å; E1181-R1185 VanDerWaalsContact OE1-CZ 3.26Å; E1181-R1185 IonicContact OE1-NE 2.86Å; E1181-R1185 PolarHBondContact OE1-NE 3.14Å; E1181-R1185 IonicContact OE1-NH2 3.78Å; E1181-R1185 PolarHBondContact OE1-NH2 3.04Å; E1181-R1185 IonicContact OE2-CZ 2.89Å; E1181-R1185 IonicContact OE2-NH2 2.68Å; E1181-R1185 PolarHBondContact OE2-NH2 3.43Å; R1182-R1185 PolarHBondContact O-N 3.43Å; E1183-R1185 VanDerWaalsContact C-N 3.32Å; E1183-R1185 PolarHBondContact O-N 2.85Å; R1185-I1189 VanDerWaalsContact O-CG1 3.3Å; R1185-I1189 WeakPolarHBondContact O-CG1 3.33Å; R1185-I1189 PolarHBondContact O-N 2.78Å
1186	S	76.5	Confident	66.9	Low	43 Å²	43	109.1 Å²	109.1	30%	0.301	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-37.1	176.5	87.4	0	0	0	0	113.2	R1182 E1183 I1189 R1190	R1182-S1186 PolarHBondContact O-N 3.05Å; E1183-S1186 CarbonylContact O-C 3.6Å; E1183-S1186 WeakPolarHBondContact O-CA 3.42Å; E1183-S1186 WeakPolarHBondContact O-CB 3.48Å; E1183-S1186 PolarHBondContact O-N 3.24Å; E1183-S1186 PolarHBondContact O-OG 2.85Å; S1186-I1189 PolarHBondContact O-N 2.73Å; S1186-R1190 WeakPolarHBondContact O-CG 3.49Å; S1186-R1190 PolarHBondContact O-N 2.75Å
1187	T	75.6	Confident	67.6	Low	57 Å²	57	107.3 Å²	107.3	35%	0.35	52%	0.522	S	S	.	.	H	α-helix	trans	-72.1	-40.1	177.8	50.5	0	0	0	0	111.7	E1183 R1184 I1189 R1190 Q1191	E1183-T1187 PolarHBondContact O-N 2.99Å; E1183-T1187 PolarHBondContact O-OG1 3.17Å; R1184-T1187 PolarHBondContact O-OG1 3.29Å; R1184-T1187 VanDerWaalsContact O-OG1 3.07Å; T1187-I1189 PolarHBondContact O-N 3.09Å; T1187-R1190 PolarHBondContact O-N 3.44Å; T1187-Q1191 WeakPolarHBondContact O-CG 3.47Å; T1187-Q1191 PolarHBondContact O-N 3.43Å
1188	L	70.2	Confident	67.2	Low	98 Å²	98	107.7 Å²	107.7	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-59.3	-42.7	170.2	-80.6	168.3	0	0	0	112.4	R1184 Q1191 L1192	R1184-L1188 PolarHBondContact O-N 2.87Å; L1188-Q1191 PolarHBondContact O-N 2.9Å; L1188-L1192 WeakPolarHBondContact O-CG 3.34Å; L1188-L1192 PolarHBondContact O-N 3.39Å
1189	I	72.4	Confident	66.2	Low	98 Å²	98	106.9 Å²	106.9	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-40.3	175.6	-70.2	166.4	0	0	0	111.1	R1185 S1186 T1187 L1192 I1193	R1185-I1189 VanDerWaalsContact O-CG1 3.3Å; R1185-I1189 WeakPolarHBondContact O-CG1 3.33Å; R1185-I1189 PolarHBondContact O-N 2.78Å; S1186-I1189 PolarHBondContact O-N 2.73Å; T1187-I1189 PolarHBondContact O-N 3.09Å; I1189-L1192 PolarHBondContact O-N 3.16Å; I1189-I1193 HydrophobicContact CG2-CD1 3.78Å; I1189-I1193 WeakPolarHBondContact O-CB 3.49Å; I1189-I1193 VanDerWaalsContact O-CG1 3.27Å; I1189-I1193 WeakPolarHBondContact O-CG1 3.04Å; I1189-I1193 PolarHBondContact O-N 2.86Å
1190	R	72.1	Confident	64.9	Low	181 Å²	181	109.1 Å²	109.1	68%	0.683	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-39.8	173.5	-74.2	174.4	-179.1	173.1	2.8	112.2	S1186 T1187 S1194	S1186-R1190 WeakPolarHBondContact O-CG 3.49Å; S1186-R1190 PolarHBondContact O-N 2.75Å; T1187-R1190 PolarHBondContact O-N 3.44Å; R1190-S1194 WeakPolarHBondContact O-CB 3.33Å; R1190-S1194 PolarHBondContact O-N 3.14Å; R1190-S1194 PolarHBondContact O-OG 3.34Å
1191	Q	68.2	Low	63.5	Low	106 Å²	106	115.7 Å²	115.7	50%	0.495	55%	0.55	S	S	.	*	H	α-helix	trans	-63.2	-51.3	175.6	-75.6	179.5	-56.2	0	0	111.2	T1187 L1188 I1193 S1194 E1195	T1187-Q1191 WeakPolarHBondContact O-CG 3.47Å; T1187-Q1191 PolarHBondContact O-N 3.43Å; L1188-Q1191 PolarHBondContact O-N 2.9Å; Q1191-I1193 VanDerWaalsContact C-N 3.32Å; Q1191-I1193 PolarHBondContact O-N 3Å; Q1191-S1194 WeakPolarHBondContact CA-OG 3.39Å; Q1191-S1194 CarbonylContact O-C 3.6Å; Q1191-S1194 WeakPolarHBondContact O-CA 3.38Å; Q1191-S1194 PolarHBondContact O-N 3.45Å; Q1191-S1194 PolarHBondContact O-OG 3.34Å; Q1191-E1195 WeakPolarHBondContact O-CG 3.46Å; Q1191-E1195 PolarHBondContact O-N 3.32Å
1192	L	63.4	Low	62.4	Low	93 Å²	93	118.4 Å²	118.4	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-56.8	-43	177.1	-71	168.4	0	0	0	112.4	L1188 I1189 S1194 E1195 E1196	L1188-L1192 WeakPolarHBondContact O-CG 3.34Å; L1188-L1192 PolarHBondContact O-N 3.39Å; I1189-L1192 PolarHBondContact O-N 3.16Å; L1192-S1194 VanDerWaalsContact C-N 3.34Å; L1192-S1194 PolarHBondContact O-N 3.03Å; L1192-E1195 PolarHBondContact O-N 3.27Å; L1192-E1196 PolarHBondContact O-N 3.32Å
1193	I	69.4	Low	61.4	Low	88 Å²	88	116.9 Å²	116.9	45%	0.451	57%	0.571	S	S	.	*	H	α-helix	trans	-63.8	-39.2	175	-69.6	167.9	0	0	0	111.2	I1189 Q1191 E1195 E1196 I1197	I1189-I1193 HydrophobicContact CG2-CD1 3.78Å; I1189-I1193 WeakPolarHBondContact O-CB 3.49Å; I1189-I1193 VanDerWaalsContact O-CG1 3.27Å; I1189-I1193 WeakPolarHBondContact O-CG1 3.04Å; I1189-I1193 PolarHBondContact O-N 2.86Å; Q1191-I1193 VanDerWaalsContact C-N 3.32Å; Q1191-I1193 PolarHBondContact O-N 3Å; I1193-E1195 VanDerWaalsContact C-N 3.34Å; I1193-E1196 PolarHBondContact O-N 3.25Å; I1193-I1197 HydrophobicContact CG2-CD1 3.78Å; I1193-I1197 WeakPolarHBondContact O-CB 3.33Å; I1193-I1197 WeakPolarHBondContact O-CD1 3.4Å; I1193-I1197 VanDerWaalsContact O-CG1 3.23Å; I1193-I1197 WeakPolarHBondContact O-CG1 3.32Å; I1193-I1197 PolarHBondContact O-N 3.22Å
1194	S	65	Low	60	Low	57 Å²	57	116.7 Å²	116.7	40%	0.399	57%	0.568	S	S	.	*	H	α-helix	trans	-68.9	-30.8	176.1	73.1	0	0	0	0	113.4	R1190 Q1191 L1192 T1198	R1190-S1194 WeakPolarHBondContact O-CB 3.33Å; R1190-S1194 PolarHBondContact O-N 3.14Å; R1190-S1194 PolarHBondContact O-OG 3.34Å; Q1191-S1194 WeakPolarHBondContact CA-OG 3.39Å; Q1191-S1194 CarbonylContact O-C 3.6Å; Q1191-S1194 WeakPolarHBondContact O-CA 3.38Å; Q1191-S1194 PolarHBondContact O-N 3.45Å; Q1191-S1194 PolarHBondContact O-OG 3.34Å; L1192-S1194 VanDerWaalsContact C-N 3.34Å; L1192-S1194 PolarHBondContact O-N 3.03Å; S1194-T1198 WeakPolarHBondContact O-CB 3.4Å; S1194-T1198 WeakPolarHBondContact O-CG2 3.4Å; S1194-T1198 PolarHBondContact O-N 3.39Å; S1194-T1198 PolarHBondContact O-OG1 3.16Å
1195	E	56.1	Low	58.7	Low	111 Å²	111	112.5 Å²	112.5	52%	0.519	57%	0.567	S	S	.	*	H	α-helix	trans	-74	-37.9	174.7	-71.5	176	-176.3	0	0	111.7	Q1191 L1192 I1193 T1198 G1199	Q1191-E1195 WeakPolarHBondContact O-CG 3.46Å; Q1191-E1195 PolarHBondContact O-N 3.32Å; L1192-E1195 PolarHBondContact O-N 3.27Å; I1193-E1195 VanDerWaalsContact C-N 3.34Å; E1195-T1198 WeakPolarHBondContact CA-OG1 3.22Å; E1195-T1198 PolarHBondContact O-N 3.15Å; E1195-T1198 PolarHBondContact O-OG1 3.34Å; E1195-G1199 PolarHBondContact O-N 3.31Å
1196	E	47.9	Very low	57.5	Low	152 Å²	152	110.8 Å²	110.8	71%	0.71	58%	0.579	S	S	*	*	H	α-helix	trans	-63.5	-41.7	170.6	-73.8	-164.7	132.2	0	0	112.1	L1192 I1193 T1198 G1199	L1192-E1196 PolarHBondContact O-N 3.32Å; I1193-E1196 PolarHBondContact O-N 3.25Å; E1196-T1198 VanDerWaalsContact C-N 3.34Å; E1196-T1198 PolarHBondContact O-N 2.63Å; E1196-G1199 PolarHBondContact O-N 2.79Å
1197	I	54.2	Low	56.1	Low	136 Å²	136	118 Å²	118	70%	0.697	60%	0.601	S	S	*	*	H	α-helix	trans	-67	-32.8	178.1	-70.7	166.7	0	0	0	112.1	I1193 G1199	I1193-I1197 HydrophobicContact CG2-CD1 3.78Å; I1193-I1197 WeakPolarHBondContact O-CB 3.33Å; I1193-I1197 WeakPolarHBondContact O-CD1 3.4Å; I1193-I1197 VanDerWaalsContact O-CG1 3.23Å; I1193-I1197 WeakPolarHBondContact O-CG1 3.32Å; I1193-I1197 PolarHBondContact O-N 3.22Å; I1197-G1199 VanDerWaalsContact C-N 3.35Å
1198	T	49.6	Very low	54.7	Low	96 Å²	96	122.5 Å²	122.5	59%	0.589	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	3.5	-177.9	50.4	0	0	0	0	114.6	S1194 E1195 E1196 Q1200	S1194-T1198 WeakPolarHBondContact O-CB 3.4Å; S1194-T1198 WeakPolarHBondContact O-CG2 3.4Å; S1194-T1198 PolarHBondContact O-N 3.39Å; S1194-T1198 PolarHBondContact O-OG1 3.16Å; E1195-T1198 WeakPolarHBondContact CA-OG1 3.22Å; E1195-T1198 PolarHBondContact O-N 3.15Å; E1195-T1198 PolarHBondContact O-OG1 3.34Å; E1196-T1198 VanDerWaalsContact C-N 3.34Å; E1196-T1198 PolarHBondContact O-N 2.63Å; T1198-Q1200 VanDerWaalsContact C-N 3.32Å; T1198-Q1200 PolarHBondContact O-N 2.63Å; T1198-Q1200 VanDerWaalsContact O-N 3.17Å
1199	G	41.5	Very low	53.9	Low	50 Å²	50	124.2 Å²	124.2	52%	0.515	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	74.5	4.7	158.2	0	0	0	0	0	117.4	E1195 E1196 I1197 R1201	E1195-G1199 PolarHBondContact O-N 3.31Å; E1196-G1199 PolarHBondContact O-N 2.79Å; I1197-G1199 VanDerWaalsContact C-N 3.35Å; G1199-R1201 VanDerWaalsContact C-N 3.28Å; G1199-R1201 PolarHBondContact O-N 3.16Å
1200	Q	44.2	Very low	52.6	Low	151 Å²	151	127.5 Å²	127.5	71%	0.706	64%	0.638	S	S	*	*			trans	-77.8	67.5	-176.9	-62.7	-162.6	12.7	0	0	113.3	T1198 N1202	T1198-Q1200 VanDerWaalsContact C-N 3.32Å; T1198-Q1200 PolarHBondContact O-N 2.63Å; T1198-Q1200 VanDerWaalsContact O-N 3.17Å; Q1200-N1202 PolarHBondContact O-N 3.26Å
1201	R	42.9	Very low	52.1	Low	223 Å²	223	120.8 Å²	120.8	84%	0.842	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	1.4	-171.5	-75.9	-178.4	168.8	165.6	-1	118.2	G1199	G1199-R1201 VanDerWaalsContact C-N 3.28Å; G1199-R1201 PolarHBondContact O-N 3.16Å
1202	N	47.4	Very low	51.9	Low	140 Å²	140	118 Å²	118	75%	0.749	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-16.5	-166.8	-74	-4.7	0	0	0	116.4	Q1200 S1205	Q1200-N1202 PolarHBondContact O-N 3.26Å; N1202-S1205 PolarHBondContact O-OG 2.95Å
1203	L	45.6	Very low	52	Low	131 Å²	131	122.3 Å²	122.3	69%	0.686	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-77.4	-20.2	-175.2	-103.7	75.5	0	0	0	115.2	S1205 A1206	L1203-S1205 PolarHBondContact O-N 3.48Å; L1203-A1206 PolarHBondContact O-N 3.03Å; L1203-A1206 VanDerWaalsContact O-N 3.14Å
1204	F	45.3	Very low	52.1	Low	131 Å²	131	122.7 Å²	122.7	58%	0.575	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-62.6	-10.1	-178.2	-70.8	-74.3	0	0	0	115	A1206 Y1207	F1204-A1206 PolarHBondContact O-N 3.11Å; F1204-Y1207 PolarHBondContact O-N 3.5Å
1205	S	48	Very low	52.2	Low	98 Å²	98	124.3 Å²	124.3	69%	0.685	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-59.5	-30.3	171.2	52	0	0	0	0	113.4	N1202 L1203 Y1207	N1202-S1205 PolarHBondContact O-OG 2.95Å; L1203-S1205 PolarHBondContact O-N 3.48Å; S1205-Y1207 VanDerWaalsContact C-N 3.34Å; S1205-Y1207 PolarHBondContact O-N 2.89Å
1206	A	52.3	Low	52.4	Low	86 Å²	86	126 Å²	126	71%	0.711	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-71.5	-22.9	-179	0	0	0	0	0	114.2	L1203 F1204	L1203-A1206 PolarHBondContact O-N 3.03Å; L1203-A1206 VanDerWaalsContact O-N 3.14Å; F1204-A1206 PolarHBondContact O-N 3.11Å
1207	Y	47.7	Very low	53.3	Low	194 Å²	194	121.2 Å²	121.2	76%	0.761	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-100.7	15.3	-176.1	-64	-72.7	0	0	0	113.6	F1204 S1205 I1209	F1204-Y1207 PolarHBondContact O-N 3.5Å; S1205-Y1207 VanDerWaalsContact C-N 3.34Å; S1205-Y1207 PolarHBondContact O-N 2.89Å; Y1207-I1209 PolarHBondContact O-N 3.3Å
1208	K	45.8	Very low	54	Low	152 Å²	152	122 Å²	122	66%	0.661	63%	0.634	S	S	*	*			trans	-75.3	95.4	178.6	-172.1	-170.1	173.3	-167.4	0	110.7	Q1210	K1208-Q1210 PolarHBondContact O-N 2.73Å
1209	I	52.3	Low	54.7	Low	135 Å²	135	120.6 Å²	120.6	69%	0.692	63%	0.632	S	S	*	*			trans	-53.4	127.8	166.2	-58.8	172.4	0	0	0	108.7	Y1207 W1216	Y1207-I1209 PolarHBondContact O-N 3.3Å; I1209-W1216 HydrophobicContact CG2-CZ2 4.07Å
1210	Q	45.7	Very low	55.5	Low	167 Å²	167	123 Å²	123	78%	0.78	64%	0.637	S	S	*	*			trans	-113	126.3	171.2	-59.2	-172.8	39.3	0	0	108	K1208	K1208-Q1210 PolarHBondContact O-N 2.73Å
1211	G	62.3	Low	56.2	Low	39 Å²	39	121.7 Å²	121.7	40%	0.402	64%	0.639	S	S	.	*			trans	-156.3	143.6	172.9	0	0	0	0	0	107.1
1212	S	63.1	Low	56.6	Low	49 Å²	49	114 Å²	114	34%	0.343	63%	0.629	S	S	.	*			trans	-71.6	157.4	179.9	68.9	0	0	0	0	111.2	T1214 D1215 W1216	S1212-T1214 PolarHBondContact O-N 3.25Å; S1212-T1214 PolarHBondContact OG-OG1 3.5Å; S1212-D1215 WeakPolarHBondContact CB-OD2 3.36Å; S1212-D1215 PolarHBondContact N-OD2 3.45Å; S1212-D1215 PolarHBondContact O-N 3.35Å; S1212-D1215 VanDerWaalsContact O-N 3.09Å; S1212-D1215 PolarHBondContact OG-N 3.11Å; S1212-D1215 VanDerWaalsContact OG-N 3.16Å; S1212-D1215 PolarHBondContact OG-OD1 3.09Å; S1212-D1215 PolarHBondContact OG-OD2 2.97Å; S1212-W1216 PolarHBondContact O-N 3.29Å; S1212-W1216 VanDerWaalsContact O-N 3.16Å
1213	E	65.2	Low	56.6	Low	183 Å²	183	113.8 Å²	113.8	86%	0.855	62%	0.623	S	S	*	*	H	α-helix	trans	-61.4	-25.5	176.2	-67	-173.6	145.4	0	0	112	A1217	E1213-A1217 WeakPolarHBondContact O-CB 3.23Å; E1213-A1217 PolarHBondContact O-N 3.15Å
1214	T	71.3	Confident	56.3	Low	95 Å²	95	111.5 Å²	111.5	58%	0.583	63%	0.631	S	S	*	*	H	α-helix	trans	-67.7	-45.6	170.1	31.4	0	0	0	0	113	S1212 W1216 A1217 E1218	S1212-T1214 PolarHBondContact O-N 3.25Å; S1212-T1214 PolarHBondContact OG-OG1 3.5Å; T1214-W1216 VanDerWaalsContact C-N 3.29Å; T1214-W1216 PolarHBondContact O-N 2.93Å; T1214-A1217 PolarHBondContact O-N 3.41Å; T1214-A1217 VanDerWaalsContact O-N 3.09Å; T1214-E1218 PolarHBondContact O-N 3.03Å
1215	D	67.4	Low	56.5	Low	91 Å²	91	109.3 Å²	109.3	49%	0.487	64%	0.637	S	S	.	*	H	α-helix	trans	-60.7	-41.6	177.2	-51.4	-43.6	0	0	0	111	S1212 A1219	S1212-D1215 WeakPolarHBondContact CB-OD2 3.36Å; S1212-D1215 PolarHBondContact N-OD2 3.45Å; S1212-D1215 PolarHBondContact O-N 3.35Å; S1212-D1215 VanDerWaalsContact O-N 3.09Å; S1212-D1215 PolarHBondContact OG-N 3.11Å; S1212-D1215 VanDerWaalsContact OG-N 3.16Å; S1212-D1215 PolarHBondContact OG-OD1 3.09Å; S1212-D1215 PolarHBondContact OG-OD2 2.97Å; D1215-A1219 VanDerWaalsContact O-CB 3.29Å; D1215-A1219 WeakPolarHBondContact O-CB 2.94Å; D1215-A1219 PolarHBondContact O-N 3.44Å; D1215-A1219 VanDerWaalsContact O-N 3.1Å
1216	W	60.6	Low	56.3	Low	148 Å²	148	110.7 Å²	110.7	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-69.5	-30.7	176.2	-70.7	109.2	0	0	0	112.9	I1209 S1212 T1214 V1220	I1209-W1216 HydrophobicContact CG2-CZ2 4.07Å; S1212-W1216 PolarHBondContact O-N 3.29Å; S1212-W1216 VanDerWaalsContact O-N 3.16Å; T1214-W1216 VanDerWaalsContact C-N 3.29Å; T1214-W1216 PolarHBondContact O-N 2.93Å; W1216-V1220 VanDerWaalsContact O-CG2 3.25Å; W1216-V1220 WeakPolarHBondContact O-CG2 3.43Å; W1216-V1220 PolarHBondContact O-N 2.76Å
1217	A	67.2	Low	55.7	Low	51 Å²	51	113 Å²	113	42%	0.421	64%	0.637	S	S	.	*	H	α-helix	trans	-70.5	-49.3	175	0	0	0	0	0	111.4	E1213 T1214 A1219 V1220 V1221	E1213-A1217 WeakPolarHBondContact O-CB 3.23Å; E1213-A1217 PolarHBondContact O-N 3.15Å; T1214-A1217 PolarHBondContact O-N 3.41Å; T1214-A1217 VanDerWaalsContact O-N 3.09Å; A1217-A1219 VanDerWaalsContact C-N 3.33Å; A1217-A1219 PolarHBondContact O-N 2.99Å; A1217-V1220 PolarHBondContact O-N 2.69Å; A1217-V1221 VanDerWaalsContact O-CG2 3.32Å; A1217-V1221 WeakPolarHBondContact O-CG2 3.4Å; A1217-V1221 PolarHBondContact O-N 3.12Å
1218	E	68.1	Low	55.6	Low	151 Å²	151	109.5 Å²	109.5	71%	0.706	64%	0.64	S	S	*	*	H	α-helix	trans	-60	-42.8	178	-69.8	-173.5	171.2	0	0	111.7	T1214 V1220 V1221	T1214-E1218 PolarHBondContact O-N 3.03Å; E1218-V1220 PolarHBondContact O-N 2.85Å; E1218-V1221 PolarHBondContact O-N 3.07Å
1219	A	64.9	Low	55.6	Low	68 Å²	68	105.9 Å²	105.9	56%	0.562	63%	0.634	S	S	*	*	H	α-helix	trans	-62.9	-19.2	175.7	0	0	0	0	0	114.5	D1215 A1217	D1215-A1219 VanDerWaalsContact O-CB 3.29Å; D1215-A1219 WeakPolarHBondContact O-CB 2.94Å; D1215-A1219 PolarHBondContact O-N 3.44Å; D1215-A1219 VanDerWaalsContact O-N 3.1Å; A1217-A1219 VanDerWaalsContact C-N 3.33Å; A1217-A1219 PolarHBondContact O-N 2.99Å
1220	V	59.4	Low	54.8	Low	100 Å²	100	107 Å²	107	61%	0.606	64%	0.641	S	S	*	*	H	α-helix	trans	-98.4	-36.3	177.8	169.8	0	0	0	0	112.1	W1216 A1217 E1218 G1222 H1223	W1216-V1220 VanDerWaalsContact O-CG2 3.25Å; W1216-V1220 WeakPolarHBondContact O-CG2 3.43Å; W1216-V1220 PolarHBondContact O-N 2.76Å; A1217-V1220 PolarHBondContact O-N 2.69Å; E1218-V1220 PolarHBondContact O-N 2.85Å; V1220-G1222 PolarHBondContact O-N 2.94Å; V1220-H1223 PolarHBondContact O-N 2.93Å; V1220-H1223 VanDerWaalsContact O-N 3.15Å
1221	V	57.8	Low	54.3	Low	123 Å²	123	104.2 Å²	104.2	75%	0.745	64%	0.635	S	S	*	*	H	α-helix	trans	-60.1	-31.4	-179.2	166.4	0	0	0	0	112.2	A1217 E1218 H1223	A1217-V1221 VanDerWaalsContact O-CG2 3.32Å; A1217-V1221 WeakPolarHBondContact O-CG2 3.4Å; A1217-V1221 PolarHBondContact O-N 3.12Å; E1218-V1221 PolarHBondContact O-N 3.07Å; V1221-H1223 VanDerWaalsContact C-N 3.27Å; V1221-H1223 PolarHBondContact O-N 2.93Å
1222	G	51.7	Low	52.9	Low	61 Å²	61	108 Å²	108	63%	0.629	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-6.5	177.5	0	0	0	0	0	116.5	V1220	V1220-G1222 PolarHBondContact O-N 2.94Å
1223	H	47.9	Very low	51.5	Low	136 Å²	136	115 Å²	115	63%	0.63	68%	0.675	S	S	*	*			trans	-128.4	56	-171.2	-75.8	-3.9	0	0	0	113.6	V1220 V1221 A1225	V1220-H1223 PolarHBondContact O-N 2.93Å; V1220-H1223 VanDerWaalsContact O-N 3.15Å; V1221-H1223 VanDerWaalsContact C-N 3.27Å; V1221-H1223 PolarHBondContact O-N 2.93Å; H1223-A1225 VanDerWaalsContact C-N 3.26Å; H1223-A1225 PolarHBondContact O-N 2.92Å; H1223-A1225 VanDerWaalsContact O-N 3.12Å
1224	G	39.4	Very low	49.9	Very low	84 Å²	84	113.9 Å²	113.9	87%	0.866	67%	0.674	S	S	*	*	S	Bend	trans	-71.6	7	-176.4	0	0	0	0	0	118.1
1225	A	48.8	Very low	48	Very low	84 Å²	84	114.1 Å²	114.1	69%	0.694	68%	0.68	S	S	*	*	S	Bend	trans	-138.7	-51.7	-176.5	0	0	0	0	0	114.7	H1223 L1227	H1223-A1225 VanDerWaalsContact C-N 3.26Å; H1223-A1225 PolarHBondContact O-N 2.92Å; H1223-A1225 VanDerWaalsContact O-N 3.12Å; A1225-L1227 PolarHBondContact O-N 2.78Å; A1225-L1227 VanDerWaalsContact O-N 3.14Å
1226	D	44	Very low	46.3	Very low	128 Å²	128	114.5 Å²	114.5	68%	0.684	69%	0.689	S	S	*	*			trans	-91.9	36.4	-161.5	-63.6	-48.1	0	0	0	115.7	S1228	D1226-S1228 PolarHBondContact O-N 2.88Å
1227	L	39.7	Very low	44.9	Very low	134 Å²	134	119 Å²	119	70%	0.702	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	14	-177.8	-77.2	167.4	0	0	0	115.4	A1225	A1225-L1227 PolarHBondContact O-N 2.78Å; A1225-L1227 VanDerWaalsContact O-N 3.14Å
1228	S	45.8	Very low	43.1	Very low	120 Å²	120	124.2 Å²	124.2	84%	0.839	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-20.9	175.4	62.3	0	0	0	0	113.8	D1226	D1226-S1228 PolarHBondContact O-N 2.88Å
1229	S	44.7	Very low	41.2	Very low	76 Å²	76	125.8 Å²	125.8	53%	0.531	73%	0.728	S	S	.	*			trans	-118.5	89.5	179.7	51.2	0	0	0	0	112.6	T1231	S1229-T1231 PolarHBondContact O-N 3.04Å
1230	L	36.9	Very low	39.7	Very low	158 Å²	158	128.5 Å²	128.5	83%	0.827	73%	0.732	S	S	*	*			trans	-73.3	64	171.4	-92.4	166.2	0	0	0	112.2
1231	T	35.1	Very low	38.2	Very low	109 Å²	109	130.3 Å²	130.3	67%	0.669	74%	0.738	S	S	*	*			trans	-105	83.5	168.3	47.5	0	0	0	0	109.8	S1229 K1233	S1229-T1231 PolarHBondContact O-N 3.04Å; T1231-K1233 PolarHBondContact O-N 2.88Å
1232	V	32.7	Very low	36.9	Very low	119 Å²	119	130.8 Å²	130.8	72%	0.721	74%	0.737	S	S	*	*			trans	-67.5	96	171	-179.4	0	0	0	0	108.6	L1234	V1232-L1234 PolarHBondContact O-N 3.46Å; V1232-L1234 VanDerWaalsContact O-N 3.11Å
1233	K	32.6	Very low	36	Very low	195 Å²	195	137.1 Å²	137.1	85%	0.848	75%	0.747	S	S	*	*			trans	-71.8	97.9	166.6	-76.2	-176	177.3	177.8	0	108.3	T1231 S1235	T1231-K1233 PolarHBondContact O-N 2.88Å; K1233-S1235 PolarHBondContact O-N 3.18Å; K1233-S1235 VanDerWaalsContact O-N 3.14Å
1234	L	32.2	Very low	35.1	Very low	161 Å²	161	141.7 Å²	141.7	84%	0.843	76%	0.759	S	S	*	*			trans	-59.7	115.4	162.7	-82	164.6	0	0	0	108.3	V1232 S1236	V1232-L1234 PolarHBondContact O-N 3.46Å; V1232-L1234 VanDerWaalsContact O-N 3.11Å; L1234-S1236 PolarHBondContact O-N 3.31Å
1235	S	31.5	Very low	34.6	Very low	100 Å²	100	146 Å²	146	70%	0.699	75%	0.753	S	S	*	*			trans	-59.8	130.3	176.1	51.7	0	0	0	0	110.2	K1233 Y1237	K1233-S1235 PolarHBondContact O-N 3.18Å; K1233-S1235 VanDerWaalsContact O-N 3.14Å; S1235-Y1237 PolarHBondContact O-N 3.49Å
1236	S	31.5	Very low	33.6	Very low	99 Å²	99	148.6 Å²	148.6	69%	0.692	76%	0.756	S	S	*	*			trans	-62.4	117.1	179.9	41.2	0	0	0	0	111.2	L1234 Q1238	L1234-S1236 PolarHBondContact O-N 3.31Å; S1236-Q1238 PolarHBondContact O-N 3.34Å
1237	Y	30.2	Very low	32.9	Very low	241 Å²	241	151.3 Å²	151.3	95%	0.945	76%	0.761	S	S	*	*			trans	-72.4	67.4	168.4	-111.1	-88.5	0	0	0	110.7	S1235	S1235-Y1237 PolarHBondContact O-N 3.49Å
1238	Q	29.6	Very low	32.2	Very low	162 Å²	162	153.7 Å²	153.7	76%	0.757	77%	0.769	S	S	*	*			trans	-78.3	118.9	159.5	-73.2	-175	-11.8	0	0	108.6	S1236	S1236-Q1238 PolarHBondContact O-N 3.34Å
1239	K	29.7	Very low	31.5	Very low	183 Å²	183	154.8 Å²	154.8	80%	0.796	77%	0.765	S	S	*	*				178.3	131.6	125.2	-97.8	169.4	-179.1	179	0	112.5
1240	I	32.6	Very low	30.8	Very low	125 Å²	125	158 Å²	158	64%	0.641	77%	0.772	S	S	*	*			trans	58.9	97	132.2	-60.7	171	0	0	0	115.5
1241	N	28.3	Very low	30.4	Very low	138 Å²	138	158.2 Å²	158.2	74%	0.738	77%	0.766	S	S	*	*				67.9	122.9	82.2	-71.9	-25.2	0	0	0	114.9
1242	N	30.2	Very low	30	Very low	134 Å²	134	159 Å²	159	72%	0.717	77%	0.766	S	S	*	*				174.5	162.8	100.3	-94.7	-56.6	0	0	0	113.4
1243	K	33.7	Very low	29.8	Very low	194 Å²	194	159.8 Å²	159.8	84%	0.843	77%	0.767	S	S	*	*			trans	51.6	101.4	165	-62.8	165.4	-175.4	178.1	0	115.1
1244	R	28.7	Very low	29.8	Very low	232 Å²	232	157.2 Å²	157.2	88%	0.875	76%	0.757	S	S	*	*			cis	63.1	101.8	31.7	-104	-170.2	-178.1	-172.9	2.9	115.5
1245	K	28.2	Very low	29.8	Very low	173 Å²	173	157.5 Å²	157.5	75%	0.752	75%	0.752	S	S	*	*			trans	86.4	120.3	139.5	-73.3	-165.9	170.5	-170.6	0	123
1246	N	26.8	Very low	29.5	Very low	140 Å²	140	158.2 Å²	158.2	75%	0.749	76%	0.757	S	S	*	*			trans	82.2	158.9	133.3	-65.1	31	0	0	0	119.9
1247	K	29.7	Very low	29.4	Very low	184 Å²	184	160 Å²	160	80%	0.8	77%	0.768	S	S	*	*			trans	72.5	113	-160.5	-55.3	-169.7	178.4	-167.5	0	111
1248	E	26.1	Very low	29.3	Very low	184 Å²	184	157.4 Å²	157.4	86%	0.86	76%	0.764	S	S	*	*			cis	51	82.9	32	-63.4	-177	147.6	0	0	112
1249	D	30	Very low	29.4	Very low	144 Å²	144	158.3 Å²	158.3	77%	0.77	77%	0.766	S	S	*	*			trans	-162.2	142.9	142.2	-104.8	-38.5	0	0	0	113.6
1250	H	30.1	Very low	29.4	Very low	144 Å²	144	154.6 Å²	154.6	67%	0.667	75%	0.751	S	S	*	*			trans	11.5	120.4	157.4	-82.4	-87.4	0	0	0	124.6
1251	F	28.2	Very low	29.3	Very low	161 Å²	161	156 Å²	156	71%	0.706	75%	0.752	S	S	*	*				75.9	132.9	119.9	-88	-139.2	0	0	0	123
1252	N	27.5	Very low	29.6	Very low	125 Å²	125	157.5 Å²	157.5	67%	0.668	75%	0.752	S	S	*	*			trans	48.7	129.7	137.9	-59.9	-4.7	0	0	0	118.9
1253	N	29	Very low	29.7	Very low	137 Å²	137	159 Å²	159	73%	0.733	75%	0.753	S	S	*	*				-175.8	129.1	52.4	-135.4	-22.5	0	0	0	113.3
1254	Q	31.6	Very low	29.7	Very low	140 Å²	140	157.3 Å²	157.3	65%	0.654	75%	0.748	S	S	*	*			trans	142	125.3	133.6	-77.2	-176.4	64.4	0	0	116.8
1255	K	31.8	Very low	29.8	Very low	168 Å²	168	155.7 Å²	155.7	73%	0.73	75%	0.747	S	S	*	*			trans	54	97.3	141.3	-58.6	164	-175.1	162.5	0	117.2
1256	S	25.8	Very low	30	Very low	115 Å²	115	157.4 Å²	157.4	80%	0.804	75%	0.754	S	S	*	*				66.8	109.7	53	89.9	0	0	0	0	115.7
1257	C	30.4	Very low	30.1	Very low	136 Å²	136	160 Å²	160	92%	0.919	76%	0.759	S	S	*	*			trans	-158.6	96.5	149.4	-129.8	0	0	0	0	111.4
1258	H	27.3	Very low	30.4	Very low	186 Å²	186	156.6 Å²	156.6	86%	0.861	76%	0.756	S	S	*	*			trans	-75.9	153.2	158.6	-94.6	-72.8	0	0	0	109.4
1259	F	30.5	Very low	30.6	Very low	181 Å²	181	156.8 Å²	156.8	79%	0.794	75%	0.754	S	S	*	*			trans	158.8	151.4	148.7	-102.5	-132.3	0	0	0	107.8
1260	E	29.7	Very low	30.7	Very low	105 Å²	105	157.5 Å²	157.5	49%	0.491	76%	0.757	S	S	.	*			cis	-169.9	157.3	-21.9	-126.7	-160	146.5	0	0	109.3
1261	K	31.9	Very low	31	Very low	154 Å²	154	156.4 Å²	156.4	67%	0.67	76%	0.76	S	S	*	*			trans	64.5	148	153.9	-74.2	162.4	-177.4	146.1	0	116.9
1262	K	33.8	Very low	31.2	Very low	170 Å²	170	158 Å²	158	74%	0.739	77%	0.767	S	S	*	*			cis	-153.4	136.4	13.2	-111.7	146.8	-178.1	177.4	0	110.7
1263	K	33.8	Very low	31.7	Very low	166 Å²	166	156.9 Å²	156.9	72%	0.722	77%	0.769	S	S	*	*			trans	57	142.1	133.1	-62.3	-175.6	168.5	-158	0	120.7
1264	H	33.6	Very low	32.1	Very low	159 Å²	159	158.3 Å²	158.3	74%	0.736	77%	0.768	S	S	*	*			cis	-154.8	147.7	-2.7	-110.9	-49.5	0	0	0	111.6
1265	K	29.5	Very low	32.2	Very low	197 Å²	197	161.3 Å²	161.3	86%	0.857	77%	0.774	S	S	*	*			trans	-79.6	147.7	163.4	-63.6	173.7	177.4	174.7	0	110.9
1266	K	32.4	Very low	32.3	Very low	210 Å²	210	161.5 Å²	161.5	91%	0.913	78%	0.777	S	S	*	*			trans	-165.9	124.1	143.2	-110.3	171.8	-175.3	-175.6	0	113.6
1267	K	30	Very low	32.7	Very low	194 Å²	194	165.3 Å²	165.3	84%	0.843	78%	0.779	S	S	*	*			trans	-79.5	171.1	146.3	-69.3	179.6	176.5	179.7	0	107.2
1268	P	35.9	Very low	32.8	Very low	113 Å²	113	166 Å²	166	73%	0.734	77%	0.773	S	S	*	*			cis	-145.2	-178.2	19.3	44.8	-25.7	0	0	0	117.7
1269	K	28.8	Very low	33.2	Very low	188 Å²	188	168.6 Å²	168.6	82%	0.817	79%	0.793	S	S	*	*			trans	43.4	157.9	144.9	-70.5	-180	179.4	-176.6	0	122.4
1270	L	32.1	Very low	33.3	Very low	159 Å²	159	168 Å²	168	83%	0.832	79%	0.793	S	S	*	*			trans	79.6	138.8	178.4	-68	103.4	0	0	0	115.8
1271	T	37	Very low	33.5	Very low	120 Å²	120	171.3 Å²	171.3	74%	0.736	81%	0.809	S	S	*	*			cis	-154.1	160.2	-16.1	3.6	0	0	0	0	113
1272	K	33.3	Very low	33.6	Very low	196 Å²	196	172.3 Å²	172.3	85%	0.852	82%	0.817	S	S	*	*			trans	-15.1	148.9	168.1	-63.7	174.5	173.9	176.9	0	120.9
1273	S	37.5	Very low	33.6	Very low	101 Å²	101	172.4 Å²	172.4	71%	0.706	82%	0.822	S	S	*	*			trans	81	143.7	147.1	133.5	0	0	0	0	117.2
1274	K	36.6	Very low	33.5	Very low	167 Å²	167	172.8 Å²	172.8	73%	0.726	83%	0.828	S	S	*	*			cis	-154.4	142.6	10.1	-123.5	164.8	-168.3	172.1	0	113
1275	R	35.6	Very low	33.5	Very low	202 Å²	202	173.7 Å²	173.7	76%	0.762	83%	0.834	S	S	*	*			trans	47.8	120	142.7	-73.3	176.7	175	172.7	-3.4	121.9
1276	Q	31.9	Very low	33.8	Very low	173 Å²	173	172.1 Å²	172.1	81%	0.808	83%	0.832	S	S	*	*				23.4	122.9	111.6	-61.6	167.7	-44.2	0	0	118.2
1277	K	35.8	Very low	33.9	Very low	195 Å²	195	169.2 Å²	169.2	85%	0.848	83%	0.826	S	S	*	*				-167.7	162.5	102.3	-103.9	-173.1	178	-172.4	0	111.6
1278	L	31	Very low	34.3	Very low	151 Å²	151	167.1 Å²	167.1	79%	0.791	83%	0.825	S	S	*	*			trans	-33.4	125.4	179.4	-57.8	96.6	0	0	0	115.9
1279	N	35.8	Very low	34.1	Very low	240 Å²	240	172 Å²	172	100%	1.283	83%	0.833	S	S	*	*				-152.1	0	111.8	-91.3	-16.3	0	0	0	108.7

Retrieved 1,279 of 1,279 residues in 2000 ms (Link to these results)

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