GCY25_CAEEL Loading...

Receptor-type guanylate cyclase gcy-25

Guanylate cyclase involved in the production of the second messenger cGMP (By similarity).

AlphaFold DB , UniProt , Accession A0A078BQP2, Species CAEEL (Caenorhabditis elegans), Gene gcy-25, Length 1,034 aa.

						>GCY25_CAEEL|A0A078BQP2|gcy-25
MLLLLLLLKISTFVDSFQIGHLEFENSNETRILEICMKNAGSWRDHRLISLPSCHNFNGLENAANLNYQYSVDLLIGAACDEETQTVSRLALRWHKLYLSSAPLSTKEKESTTIALKPHSLAGTAEVILAMCKSMKWKEIGIIYSEETKYTAHAIYDMLAEQEDDLKINVFLETDGLSNTYTILHSARALISFLTTLDLSKFFKTLKENAFRPLEFSIVHVDCNKSEISNFYTYLDNNAGEEPNPISAARLRKLYRHVALLKNSHDDMEKTEEFAKKYGLVPSYTLYKALILCDGLQLLNNYTAPRGNLSIVQQLPYLWNHVTNTETQGYSGPVFIGNDGVRLPYYEMHMWRDGKAVHVANVKPRESDYCGGNMTKNCYEFLPSSPLLEDLPPYTSDCGYDNNLCSDFHVFMIAAIVFSILLIPMAIAFYLQRKEHLIQQMPWRVPLDSISFDDNGGSLSASRRVSTISTARASYSSIFSGNVAEHAIVNKQKVSVKRHVQRRAITFSRQEMEMLNQLKYMSHTNINPFTGICFNQGSELIVMWQFTTRYSLEDLIFVKEQKFGRNFQSTFIKHIVHGINYIHNSSIKVHGALYLSNCVVDSYWVVKLTDFGIKGILKERTNHKELAPSSAFDVDAIHYKYLQLAPEHISAILEKLEEPRGTVEGDIYQLAMCIYQILFYMRPFAERQESIKELAHLLSSQSTAPLHPKVPEGNSFTMRLLSIIQQCWLYKPAARPALIKITDAVNREFGQDVKGTLIDQMIEMIDEYSANLEQIVAERTRELEQDMSVTENLLYQLLPKSVADSIRSGKTVVPEQHSSVTLLVVDVCQFTKFCEAFIPVHILETLQELYSSFDNIVQKNKAFKVENVGDAYLICSGIPEMSGFRHLREICKISLKLQAFMKTFKVRHRPSHTLQIKMGITSGAVAAGILGSTAPRFCIFGDTVNMACRMASTGNPGSIQLSELTANTLMEKFPSFMLEERGMIDVKGKGACLTFWLTGEKDIMRRQSSRSSCISQIKFELDEADNSKKMFLNV
					

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(Predicted Aligned Error values between residue pairs)

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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	42.7	Very low	43.8	Very low	193 Å²	193	131.9 Å²	131.9	95%	0.951	68%	0.683	S	S	*	*				0	-52.1	0	-106.1	-170.5	117.7	0	0	113.1	L3 L4 L5	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.21Å
2	L	45.9	Very low	43	Very low	147 Å²	147	130.9 Å²	130.9	77%	0.77	69%	0.687	S	S	*	*	H	α-helix	trans	-59.3	-38.8	175.1	-116.5	92.7	0	0	0	113.3	L4 L5 L6	L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.39Å; L2-L5 PolarHBondContact O-N 3.42Å; L2-L6 PolarHBondContact O-N 3.42Å
3	L	44.7	Very low	42.3	Very low	140 Å²	140	135.5 Å²	135.5	73%	0.733	70%	0.699	S	S	*	*	H	α-helix	trans	-68.1	-30.2	175.6	-140.2	88.7	0	0	0	112.9	M1 L7	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.49Å; L3-L7 PolarHBondContact O-N 3.5Å; L3-L7 VanDerWaalsContact O-N 3.08Å
4	L	45.3	Very low	42.1	Very low	118 Å²	118	133 Å²	133	62%	0.618	69%	0.692	S	S	*	*	H	α-helix	trans	-74.8	-35.2	177.1	-140.7	90.6	0	0	0	110.9	M1 L2 L8	M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 VanDerWaalsContact O-N 3.09Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.39Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 PolarHBondContact O-N 3.23Å
5	L	49.5	Very low	42.6	Very low	109 Å²	109	133.7 Å²	133.7	57%	0.571	70%	0.697	S	S	*	*	H	α-helix	trans	-71.3	-30.1	173.4	-85	154.6	0	0	0	112.9	M1 L2 K9	M1-L5 PolarHBondContact O-N 3.21Å; L2-L5 PolarHBondContact O-N 3.42Å; L5-K9 PolarHBondContact O-N 3.06Å
6	L	48	Very low	43.9	Very low	109 Å²	109	128.6 Å²	128.6	57%	0.571	68%	0.676	S	S	*	*	H	α-helix	trans	-74.7	-39.5	172.8	-119.2	98.8	0	0	0	112.1	L2 K9 I10	L2-L6 PolarHBondContact O-N 3.42Å; L6-K9 PolarHBondContact O-N 3.49Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.4Å
7	L	43.6	Very low	45.8	Very low	117 Å²	117	123.4 Å²	123.4	61%	0.613	65%	0.647	S	S	*	*	H	α-helix	trans	-70.6	-31.6	176.7	-77.5	163	0	0	0	112.7	L3 K9 I10	L3-L7 PolarHBondContact O-N 3.5Å; L3-L7 VanDerWaalsContact O-N 3.08Å; L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 3.24Å; L7-I10 PolarHBondContact O-N 3.02Å
8	L	46	Very low	48	Very low	129 Å²	129	118.9 Å²	118.9	68%	0.675	62%	0.622	S	S	*	*	H	α-helix	trans	-71.6	-18.4	170.8	-89.9	153.1	0	0	0	113.7	L4	L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 PolarHBondContact O-N 3.23Å
9	K	45.2	Very low	50.1	Low	174 Å²	174	112.6 Å²	112.6	76%	0.757	59%	0.589	S	S	*	*	H	α-helix	trans	-89.8	-10.7	174.4	-94.7	-172.8	174.6	-174.7	0	114.7	L5 L6 L7	L5-K9 PolarHBondContact O-N 3.06Å; L6-K9 PolarHBondContact O-N 3.49Å; L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 3.24Å
10	I	39.2	Very low	52.3	Low	133 Å²	133	107 Å²	107	68%	0.682	56%	0.56	S	S	*	*	S	Bend	trans	-96.9	-0.6	-178	-64.9	170.8	0	0	0	112.3	L6 L7	L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.4Å; L7-I10 PolarHBondContact O-N 3.02Å
11	S	31.7	Very low	54.2	Low	82 Å²	82	101.9 Å²	101.9	57%	0.573	53%	0.533	S	S	*	.	S	Bend	trans	-111.9	121.9	169.2	-175.3	0	0	0	0	109.7
12	T	34	Very low	56.6	Low	120 Å²	120	92.7 Å²	92.7	74%	0.736	49%	0.488	S	S	*	.			trans	90.2	48.4	173.7	74.5	0	0	0	0	118.6	V14	T12-V14 VanDerWaalsContact C-N 3.34Å
13	F	33.8	Very low	58.7	Low	190 Å²	190	88 Å²	88	83%	0.833	46%	0.462	S	S	*	.			trans	-91.1	83.2	138.7	-93.6	-88.9	0	0	0	106.7
14	V	40.2	Very low	60.6	Low	101 Å²	101	84.4 Å²	84.4	61%	0.612	44%	0.441	S	S	*	.			trans	-84.1	106.7	158.8	178.6	0	0	0	0	103.6	T12 S16	T12-V14 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.37Å
15	D	50	Low	62.1	Low	143 Å²	143	83.4 Å²	83.4	77%	0.765	43%	0.433	S	S	*	.			trans	-58.8	110	174.7	-75.1	-35.1	0	0	0	107.8	F17	D15-F17 PolarHBondContact O-N 3.46Å
16	S	63.2	Low	63.1	Low	52 Å²	52	85.4 Å²	85.4	36%	0.364	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-67.6	121.1	178.3	59.5	0	0	0	0	109	V14 Q18 D45	V14-S16 PolarHBondContact O-N 3.37Å; S16-Q18 WeakPolarHBondContact O-CG 3.15Å; S16-Q18 PolarHBondContact O-N 3.13Å; S16-D45 CarbonylContact C-O 3.49Å; S16-D45 WeakPolarHBondContact CA-O 3.42Å; S16-D45 WeakPolarHBondContact CB-O 3.45Å
17	F	74.9	Confident	64.4	Low	41 Å²	41	80.5 Å²	80.5	18%	0.18	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	119.8	-178.7	-170.9	-87.8	0	0	0	110.3	D15 I19 D45 H46 R47 D73 L74	D15-F17 PolarHBondContact O-N 3.46Å; F17-I19 HydrophobicContact CD1-CG1 4.07Å; F17-I19 HydrophobicContact CE1-CG1 4.21Å; F17-D45 PolarHBondContact N-O 3.4Å; F17-H46 VanDerWaalsContact CB-CD2 3.47Å; F17-H46 WeakPolarHBondContact CB-CD2 3.27Å; F17-H46 AromaticContact CD1-CD2 3.51Å; F17-H46 AromaticContact CG-CD2 3.79Å; F17-H46 AromaticContact CG-NE2 3.99Å; F17-H46 VanDerWaalsContact O-CA 3.26Å; F17-H46 WeakPolarHBondContact O-CA 3.44Å; F17-R47 PolarHBondContact O-N 2.99Å; F17-D73 WeakPolarHBondContact CA-OD2 3.03Å; F17-D73 HydrophobicContact CD1-CB 4.39Å; F17-D73 HydrophobicContact CD2-CB 3.92Å; F17-D73 HydrophobicContact CE1-CB 4.18Å; F17-D73 HydrophobicContact CE2-CB 3.67Å; F17-D73 HydrophobicContact CG-CB 4.29Å; F17-D73 HydrophobicContact CZ-CB 3.82Å; F17-L74 HydrophobicContact CE1-CB 3.97Å; F17-L74 HydrophobicContact CE1-CD2 4.5Å; F17-L74 HydrophobicContact CZ-CB 4.24Å
18	Q	85.6	Confident	66.3	Low	42 Å²	42	79.7 Å²	79.7	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.4	-171.7	-64.4	-164.3	40.5	0	0	111.5	S16 R47 I49 Y70 V72 D73 L74	S16-Q18 WeakPolarHBondContact O-CG 3.15Å; S16-Q18 PolarHBondContact O-N 3.13Å; Q18-R47 WeakPolarHBondContact CA-O 3.47Å; Q18-R47 HydrophobicContact CG-CB 4.46Å; Q18-I49 VanDerWaalsContact OE1-CD1 3.24Å; Q18-Y70 PolarHBondContact OE1-O 3.46Å; Q18-V72 HydrophobicContact CB-CB 4.4Å; Q18-V72 HydrophobicContact CB-CG1 4.39Å; Q18-V72 CarbonylContact O-C 3.57Å; Q18-D73 PolarHBondContact N-OD2 2.79Å; Q18-D73 PolarHBondContact O-N 3.32Å; Q18-L74 PolarHBondContact O-N 3.38Å
19	I	89.1	Confident	68.2	Low	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118	-179.4	-54.4	171.1	0	0	0	108.6	F17 M37 W43 R47 L48 I49 L74 I76 L296	F17-I19 HydrophobicContact CD1-CG1 4.07Å; F17-I19 HydrophobicContact CE1-CG1 4.21Å; I19-M37 HydrophobicContact CD1-SD 4.4Å; I19-W43 HydrophobicContact CD1-CE3 4.13Å; I19-W43 HydrophobicContact CD1-CH2 4.41Å; I19-W43 HydrophobicContact CD1-CZ3 3.52Å; I19-R47 PolarHBondContact N-O 2.89Å; I19-L48 HydrophobicContact CB-CD1 3.93Å; I19-L48 HydrophobicContact CG2-CD1 3.73Å; I19-L48 WeakPolarHBondContact O-CA 3.36Å; I19-I49 PolarHBondContact O-N 3.29Å; I19-L74 HydrophobicContact CG1-CD2 4.35Å; I19-L74 HydrophobicContact CG2-CD2 4.06Å; I19-I76 HydrophobicContact CG2-CB 4.42Å; I19-I76 HydrophobicContact CG2-CG2 3.57Å; I19-L296 HydrophobicContact CD1-CD2 3.85Å; I19-L296 HydrophobicContact CG2-CD2 4.44Å
20	G	92.9	Very high	70.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.6	174.4	0	0	0	0	0	111.1	L74 L75 I76	G20-L74 PolarHBondContact N-O 3.04Å; G20-L75 CarbonylContact O-C 3.6Å; G20-L75 WeakPolarHBondContact O-CA 3.31Å; G20-I76 PolarHBondContact O-N 3.49Å
21	H	93.7	Very high	72.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.2	179.6	171.2	-125.1	0	0	0	111.2	E23 E29 T30 L33 L48 I49 S50 L51 I76	H21-E23 VanDerWaalsContact CE1-CA 3.45Å; H21-E23 WeakPolarHBondContact CE1-CA 3.4Å; H21-E23 VanDerWaalsContact CE1-CB 3.44Å; H21-E23 WeakPolarHBondContact CE1-CB 3.35Å; H21-E29 IonicContact NE2-OE2 3.98Å; H21-T30 PolarHBondContact ND1-OG1 3.1Å; H21-L33 HydrophobicContact CB-CD1 4.49Å; H21-L48 HydrophobicContact CB-CD1 3.75Å; H21-L48 HydrophobicContact CB-CG 4.32Å; H21-I49 PolarHBondContact N-O 3.28Å; H21-S50 PolarHBondContact ND1-OG 3.19Å; H21-S50 CarbonylContact O-C 3.57Å; H21-S50 VanDerWaalsContact O-CA 3.29Å; H21-S50 WeakPolarHBondContact O-CA 3.43Å; H21-L51 PolarHBondContact O-N 3.39Å; H21-I76 CarbonylContact C-O 3.49Å; H21-I76 WeakPolarHBondContact CA-O 3.3Å; H21-I76 HydrophobicContact CB-CG2 3.73Å
22	L	92.8	Very high	75.5	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	96.3	170.8	-66.7	173.5	0	0	0	108.2	L51 S53 N62 A63 L66 I76 A78 V87	L22-L51 CarbonylContact C-O 3.53Å; L22-L51 WeakPolarHBondContact CA-O 3.49Å; L22-S53 PolarHBondContact O-OG 3.09Å; L22-N62 HydrophobicContact CD2-CB 4.03Å; L22-A63 HydrophobicContact CD1-CB 4.14Å; L22-A63 HydrophobicContact CD2-CB 4.41Å; L22-L66 HydrophobicContact CD2-CD1 3.83Å; L22-L66 HydrophobicContact CG-CD1 4.21Å; L22-I76 PolarHBondContact N-O 3.47Å; L22-A78 HydrophobicContact CB-CB 3.89Å; L22-A78 HydrophobicContact CD1-CB 4.5Å; L22-V87 HydrophobicContact CD1-CG1 4.02Å; L22-V87 HydrophobicContact CD1-CG2 3.97Å
23	E	90.2	Very high	78.1	Confident	49 Å²	49	57.3 Å²	57.3	23%	0.229	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.4	-174.5	-179.9	162.9	-149.1	0	0	111	H21 E29 T30 L51 P52 S53	H21-E23 VanDerWaalsContact CE1-CA 3.45Å; H21-E23 WeakPolarHBondContact CE1-CA 3.4Å; H21-E23 VanDerWaalsContact CE1-CB 3.44Å; H21-E23 WeakPolarHBondContact CE1-CB 3.35Å; E23-E29 HydrophobicContact CG-CB 4.42Å; E23-T30 PolarHBondContact OE1-N 3.16Å; E23-T30 PolarHBondContact OE1-OG1 2.92Å; E23-T30 PolarHBondContact OE2-OG1 3.36Å; E23-L51 PolarHBondContact N-O 3.45Å; E23-P52 CarbonylContact O-C 3.52Å; E23-S53 PolarHBondContact O-N 3.41Å; E23-S53 PolarHBondContact O-OG 3.39Å
24	F	84.8	Confident	80.7	Confident	64 Å²	64	52.2 Å²	52.2	28%	0.281	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137	170.6	-174.2	-106.3	0	0	0	110.2	N26 S27 E29 C54 A79	F24-N26 PolarHBondContact O-N 3.17Å; F24-S27 WeakPolarHBondContact O-CB 3.38Å; F24-S27 PolarHBondContact O-N 3.48Å; F24-S27 PolarHBondContact O-OG 2.74Å; F24-E29 VanDerWaalsContact CB-OE2 3.31Å; F24-E29 WeakPolarHBondContact CB-OE2 3.35Å; F24-E29 PolarHBondContact N-OE2 3.33Å; F24-C54 HydrophobicContact CD2-CB 3.62Å; F24-C54 HydrophobicContact CE2-CB 3.74Å; F24-A79 HydrophobicContact CB-CB 4.12Å; F24-A79 HydrophobicContact CD2-CB 4.1Å; F24-A79 HydrophobicContact CG-CB 4.2Å
25	E	76.3	Confident	83	Confident	97 Å²	97	48.8 Å²	48.8	45%	0.453	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	133.1	-174.8	-163.7	179.9	177.6	0	0	112.6	S27 H55	E25-S27 PolarHBondContact O-N 3.39Å; E25-H55 IonicContact OE2-CD2 3.64Å; E25-H55 PolarHBondContact OE2-CD2 3.28Å; E25-H55 VanDerWaalsContact OE2-CD2 3.28Å; E25-H55 IonicContact OE2-CG 3.86Å
26	N	70.6	Confident	84.8	Confident	150 Å²	150	42.1 Å²	42.1	80%	0.802	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	24.3	-179.9	-61.5	-41.9	0	0	0	115.5	F24	F24-N26 PolarHBondContact O-N 3.17Å
27	S	74.4	Confident	85.8	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.042	20%	0.196	C	C	.	.			trans	-87.7	-15.4	-172	71.4	0	0	0	0	116.1	F24 E25 E29	F24-S27 WeakPolarHBondContact O-CB 3.38Å; F24-S27 PolarHBondContact O-N 3.48Å; F24-S27 PolarHBondContact O-OG 2.74Å; E25-S27 PolarHBondContact O-N 3.39Å; S27-E29 PolarHBondContact O-N 3.27Å; S27-E29 VanDerWaalsContact O-N 3.1Å; S27-E29 WeakPolarHBondContact OG-CB 3.31Å; S27-E29 WeakPolarHBondContact OG-CG 3.4Å; S27-E29 PolarHBondContact OG-N 3.12Å; S27-E29 VanDerWaalsContact OG-N 3.09Å; S27-E29 PolarHBondContact OG-OE2 3.3Å
28	N	82.8	Confident	86.1	Confident	101 Å²	101	46.4 Å²	46.4	54%	0.54	22%	0.22	S	C	.	.			trans	53.5	16.6	-165.1	-70.3	-41.1	0	0	0	113.4	T30 R31 I32	N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.48Å; N28-R31 PolarHBondContact O-N 3.37Å; N28-R31 VanDerWaalsContact O-N 3.16Å; N28-I32 WeakPolarHBondContact O-CG1 3.33Å; N28-I32 PolarHBondContact O-N 3.03Å
29	E	87.7	Confident	85.9	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-42	-176.8	-83.7	161.2	170.3	0	0	111.2	H21 E23 F24 S27 R31 I32 L33 A289 L292	H21-E29 IonicContact NE2-OE2 3.98Å; E23-E29 HydrophobicContact CG-CB 4.42Å; F24-E29 VanDerWaalsContact CB-OE2 3.31Å; F24-E29 WeakPolarHBondContact CB-OE2 3.35Å; F24-E29 PolarHBondContact N-OE2 3.33Å; S27-E29 PolarHBondContact O-N 3.27Å; S27-E29 VanDerWaalsContact O-N 3.1Å; S27-E29 WeakPolarHBondContact OG-CB 3.31Å; S27-E29 WeakPolarHBondContact OG-CG 3.4Å; S27-E29 PolarHBondContact OG-N 3.12Å; S27-E29 VanDerWaalsContact OG-N 3.09Å; S27-E29 PolarHBondContact OG-OE2 3.3Å; E29-R31 VanDerWaalsContact C-N 3.3Å; E29-R31 PolarHBondContact O-N 3.12Å; E29-I32 PolarHBondContact O-N 2.73Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 2.98Å; E29-A289 HydrophobicContact CB-CB 4.42Å; E29-A289 HydrophobicContact CG-CB 3.71Å; E29-L292 HydrophobicContact CG-CD1 4.42Å
30	T	89.4	Confident	85	Confident	25 Å²	25	49 Å²	49	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-55.8	-46.1	179	-65	0	0	0	0	111.6	H21 E23 N28 I32 L33 E34 S50	H21-T30 PolarHBondContact ND1-OG1 3.1Å; E23-T30 PolarHBondContact OE1-N 3.16Å; E23-T30 PolarHBondContact OE1-OG1 2.92Å; E23-T30 PolarHBondContact OE2-OG1 3.36Å; N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.48Å; T30-I32 VanDerWaalsContact C-N 3.31Å; T30-I32 PolarHBondContact O-N 3.47Å; T30-L33 PolarHBondContact O-N 3.02Å; T30-E34 WeakPolarHBondContact O-CG 3.48Å; T30-E34 PolarHBondContact O-N 3.49Å; T30-S50 VanDerWaalsContact CG2-OG 3.29Å; T30-S50 WeakPolarHBondContact CG2-OG 3.44Å; T30-S50 WeakPolarHBondContact OG1-CB 3.49Å; T30-S50 PolarHBondContact OG1-OG 2.98Å
31	R	89.1	Confident	83.5	Confident	137 Å²	137	51.6 Å²	51.6	52%	0.517	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-38.4	178	-179.3	178	175.4	-176.1	-3	111.8	N28 E29 I35	N28-R31 PolarHBondContact O-N 3.37Å; N28-R31 VanDerWaalsContact O-N 3.16Å; E29-R31 VanDerWaalsContact C-N 3.3Å; E29-R31 PolarHBondContact O-N 3.12Å; R31-I35 HydrophobicContact CG-CD1 4.44Å; R31-I35 VanDerWaalsContact O-CG1 3.31Å; R31-I35 WeakPolarHBondContact O-CG1 3.28Å; R31-I35 PolarHBondContact O-N 2.9Å
32	I	89.9	Confident	81.9	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-70.6	-44.3	-179.3	-64.4	158.3	0	0	0	110.4	N28 E29 T30 E34 I35 C36 F274 L280 L286 A289 L290	N28-I32 WeakPolarHBondContact O-CG1 3.33Å; N28-I32 PolarHBondContact O-N 3.03Å; E29-I32 PolarHBondContact O-N 2.73Å; T30-I32 VanDerWaalsContact C-N 3.31Å; T30-I32 PolarHBondContact O-N 3.47Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 3.49Å; I32-I35 WeakPolarHBondContact O-CB 3.47Å; I32-I35 PolarHBondContact O-N 2.88Å; I32-I35 VanDerWaalsContact O-N 3.12Å; I32-C36 PolarHBondContact O-N 2.83Å; I32-C36 PolarHBondContact O-SG 3.05Å; I32-F274 HydrophobicContact CG2-CE1 4.28Å; I32-F274 HydrophobicContact CG2-CZ 4.44Å; I32-L280 HydrophobicContact CG1-CD1 4.15Å; I32-L286 HydrophobicContact CD1-CD1 3.54Å; I32-L286 HydrophobicContact CG1-CD1 4.05Å; I32-L286 HydrophobicContact CG2-CD1 4.33Å; I32-A289 HydrophobicContact CB-CB 3.94Å; I32-A289 HydrophobicContact CD1-CB 3.49Å; I32-A289 VanDerWaalsContact CD1-CB 3.49Å; I32-A289 HydrophobicContact CG1-CB 4.32Å; I32-A289 HydrophobicContact CG2-CB 3.73Å; I32-L290 HydrophobicContact CG2-CD2 4.24Å
33	L	89.2	Confident	80.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-41.6	174.5	-68.6	175.2	0	0	0	112	H21 E29 T30 I35 C36 M37 L48 L292 L296	H21-L33 HydrophobicContact CB-CD1 4.49Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 2.98Å; T30-L33 PolarHBondContact O-N 3.02Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.41Å; L33-C36 PolarHBondContact O-N 2.92Å; L33-M37 WeakPolarHBondContact O-CG 3.25Å; L33-M37 PolarHBondContact O-N 2.95Å; L33-L48 HydrophobicContact CB-CD2 3.81Å; L33-L48 HydrophobicContact CD1-CD2 4.25Å; L33-L292 HydrophobicContact CD2-CB 3.7Å; L33-L296 HydrophobicContact CB-CD1 4.49Å; L33-L296 HydrophobicContact CD2-CD1 3.76Å; L33-L296 HydrophobicContact CD2-CG 4.47Å
34	E	88.4	Confident	78.4	Confident	84 Å²	84	63.9 Å²	63.9	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-38.8	174.2	-77.1	-177.3	-176.6	0	0	113.1	T30 I32 M37 K38 L48	T30-E34 WeakPolarHBondContact O-CG 3.48Å; T30-E34 PolarHBondContact O-N 3.49Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 3.49Å; E34-M37 HydrophobicContact CG-CE 4.2Å; E34-K38 WeakPolarHBondContact O-CB 3.47Å; E34-K38 WeakPolarHBondContact O-CD 3.33Å; E34-K38 VanDerWaalsContact O-CG 3.25Å; E34-K38 WeakPolarHBondContact O-CG 3.45Å; E34-K38 PolarHBondContact O-N 3.38Å; E34-K38 VanDerWaalsContact O-N 3.12Å; E34-L48 HydrophobicContact CG-CD2 4.5Å
35	I	88.7	Confident	77.3	Confident	28 Å²	28	65.6 Å²	65.6	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-47.9	174.4	-68.6	164.5	0	0	0	109.9	R31 I32 L33 M37 K38 N39 F274 Y278	R31-I35 HydrophobicContact CG-CD1 4.44Å; R31-I35 VanDerWaalsContact O-CG1 3.31Å; R31-I35 WeakPolarHBondContact O-CG1 3.28Å; R31-I35 PolarHBondContact O-N 2.9Å; I32-I35 WeakPolarHBondContact O-CB 3.47Å; I32-I35 PolarHBondContact O-N 2.88Å; I32-I35 VanDerWaalsContact O-N 3.12Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 3.41Å; I35-M37 PolarHBondContact O-N 3.31Å; I35-K38 PolarHBondContact O-N 3.13Å; I35-N39 PolarHBondContact O-N 2.86Å; I35-N39 VanDerWaalsContact O-N 3.13Å; I35-N39 PolarHBondContact O-ND2 3.18Å; I35-F274 HydrophobicContact CG2-CZ 4.03Å; I35-Y278 HydrophobicContact CD1-CD1 4.36Å; I35-Y278 HydrophobicContact CD1-CG 4.46Å; I35-Y278 HydrophobicContact CG2-CD1 3.76Å; I35-Y278 HydrophobicContact CG2-CD2 4.2Å; I35-Y278 HydrophobicContact CG2-CE1 3.48Å; I35-Y278 VanDerWaalsContact CG2-CE1 3.48Å; I35-Y278 HydrophobicContact CG2-CE2 3.97Å; I35-Y278 HydrophobicContact CG2-CG 4.12Å
36	C	87.5	Confident	77.1	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-44.1	-179	-63.5	0	0	0	0	112.3	I32 L33 K38 N39 A40 C293 Y330	I32-C36 PolarHBondContact O-N 2.83Å; I32-C36 PolarHBondContact O-SG 3.05Å; L33-C36 PolarHBondContact O-N 2.92Å; C36-K38 PolarHBondContact O-N 3.3Å; C36-N39 PolarHBondContact O-N 2.96Å; C36-A40 PolarHBondContact O-N 3.27Å; C36-C293 HydrophobicContact CB-CB 3.6Å; C36-C293 WeakPolarHBondContact CB-SG 3.29Å; C36-C293 WeakPolarHBondContact SG-CB 3.5Å; C36-C293 CovalentContact SG-SG 2.03Å; C36-C293 PolarHBondContact SG-SG 3.16Å; C36-Y330 HydrophobicContact CB-CE2 3.96Å; C36-Y330 PolarHBondContact O-OH 3.31Å
37	M	83.6	Confident	77.7	Confident	25 Å²	25	63.9 Å²	63.9	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-40.4	176.4	-71.7	-174.7	-59.4	0	0	112.3	I19 L33 E34 I35 N39 A40 W43 L48 L296	I19-M37 HydrophobicContact CD1-SD 4.4Å; L33-M37 WeakPolarHBondContact O-CG 3.25Å; L33-M37 PolarHBondContact O-N 2.95Å; E34-M37 HydrophobicContact CG-CE 4.2Å; I35-M37 PolarHBondContact O-N 3.31Å; M37-N39 VanDerWaalsContact C-N 3.31Å; M37-N39 PolarHBondContact O-N 3.46Å; M37-A40 PolarHBondContact O-N 2.91Å; M37-W43 HydrophobicContact CB-CB 4.43Å; M37-L48 HydrophobicContact CE-CB 3.62Å; M37-L48 HydrophobicContact CE-CD2 3.66Å; M37-L48 HydrophobicContact CE-CG 4.17Å; M37-L48 HydrophobicContact SD-CB 4.15Å; M37-L296 HydrophobicContact CG-CD1 3.73Å; M37-L296 HydrophobicContact SD-CD1 4.28Å
38	K	82.3	Confident	78.3	Confident	158 Å²	158	65.1 Å²	65.1	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-62.7	-37.6	177.3	-77.7	169.5	-176.2	164	0	112.3	E34 I35 C36	E34-K38 WeakPolarHBondContact O-CB 3.47Å; E34-K38 WeakPolarHBondContact O-CD 3.33Å; E34-K38 VanDerWaalsContact O-CG 3.25Å; E34-K38 WeakPolarHBondContact O-CG 3.45Å; E34-K38 PolarHBondContact O-N 3.38Å; E34-K38 VanDerWaalsContact O-N 3.12Å; I35-K38 PolarHBondContact O-N 3.13Å; C36-K38 PolarHBondContact O-N 3.3Å
39	N	80.1	Confident	78.8	Confident	76 Å²	76	61 Å²	61	41%	0.406	29%	0.294	S	S	.	.	H	α-helix	trans	-69.3	-33.8	-179.7	-72.3	-22.5	0	0	0	113.4	I35 C36 M37 G41 Y278 Y330	I35-N39 PolarHBondContact O-N 2.86Å; I35-N39 VanDerWaalsContact O-N 3.13Å; I35-N39 PolarHBondContact O-ND2 3.18Å; C36-N39 PolarHBondContact O-N 2.96Å; M37-N39 VanDerWaalsContact C-N 3.31Å; M37-N39 PolarHBondContact O-N 3.46Å; N39-G41 PolarHBondContact O-N 3.33Å; N39-Y278 PolarHBondContact ND2-OH 3.28Å; N39-Y278 PolarHBondContact OD1-OH 3.43Å; N39-Y278 VanDerWaalsContact OD1-OH 3.1Å; N39-Y330 WeakPolarHBondContact CB-OH 3.41Å; N39-Y330 PolarHBondContact ND2-OH 3.12Å
40	A	71.4	Confident	79	Confident	20 Å²	20	62.6 Å²	62.6	17%	0.165	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.4	-171.5	0	0	0	0	0	114.3	C36 M37 S42 W43	C36-A40 PolarHBondContact O-N 3.27Å; M37-A40 PolarHBondContact O-N 2.91Å; A40-S42 PolarHBondContact O-N 3.14Å; A40-S42 PolarHBondContact O-OG 3.44Å; A40-W43 HydrophobicContact CB-CG 4.45Å
41	G	61.8	Low	79.2	Confident	54 Å²	54	62.8 Å²	62.8	56%	0.557	31%	0.305	S	S	*	.	S	Bend	trans	71.5	-33.9	168.6	0	0	0	0	0	116.2	N39	N39-G41 PolarHBondContact O-N 3.33Å
42	S	60.1	Low	79.2	Confident	56 Å²	56	59.6 Å²	59.6	39%	0.392	30%	0.302	S	S	.	.	S	Bend	trans	-84.6	-13	-178.9	57	0	0	0	0	114.4	A40 R44 N300	A40-S42 PolarHBondContact O-N 3.14Å; A40-S42 PolarHBondContact O-OG 3.44Å; S42-R44 VanDerWaalsContact C-N 3.33Å; S42-R44 PolarHBondContact O-N 2.75Å; S42-N300 WeakPolarHBondContact CB-OD1 3.3Å; S42-N300 PolarHBondContact OG-OD1 2.9Å
43	W	55.6	Low	79.3	Confident	17 Å²	17	59.4 Å²	59.4	6%	0.064	30%	0.301	C	S	.	.			trans	-87.7	14.2	-170.2	-67.2	79	0	0	0	115.1	I19 M37 A40 D45 H46 L296 L299	I19-W43 HydrophobicContact CD1-CE3 4.13Å; I19-W43 HydrophobicContact CD1-CH2 4.41Å; I19-W43 HydrophobicContact CD1-CZ3 3.52Å; M37-W43 HydrophobicContact CB-CB 4.43Å; A40-W43 HydrophobicContact CB-CG 4.45Å; W43-D45 PolarHBondContact O-N 3.13Å; W43-H46 HydrophobicContact CE3-CB 3.69Å; W43-H46 AromaticContact CE3-CD2 3.23Å; W43-H46 AromaticContact CE3-CG 3.36Å; W43-H46 AromaticContact CE3-ND1 3.97Å; W43-H46 AromaticContact CE3-NE2 3.84Å; W43-H46 HydrophobicContact CZ3-CB 4.3Å; W43-H46 AromaticContact CZ3-CD2 3.19Å; W43-H46 WeakPolarHBondContact CZ3-CD2 3.4Å; W43-H46 AromaticContact CZ3-CG 3.83Å; W43-H46 AromaticContact CZ3-NE2 3.77Å; W43-H46 PolarHBondContact O-N 3.44Å; W43-H46 VanDerWaalsContact O-N 3.1Å; W43-L296 WeakPolarHBondContact CZ2-O 3.22Å; W43-L299 HydrophobicContact CH2-CB 3.48Å; W43-L299 VanDerWaalsContact CH2-CB 3.48Å; W43-L299 HydrophobicContact CH2-CD1 3.83Å; W43-L299 HydrophobicContact CH2-CG 4.3Å; W43-L299 HydrophobicContact CZ2-CB 3.69Å
44	R	52.6	Low	79.1	Confident	234 Å²	234	60.8 Å²	60.8	88%	0.883	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23	-172.9	-76.5	-172.4	177.2	177.6	0.4	114.3	S42	S42-R44 VanDerWaalsContact C-N 3.33Å; S42-R44 PolarHBondContact O-N 2.75Å
45	D	62.5	Low	79	Confident	100 Å²	100	61 Å²	61	54%	0.535	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	20.2	-177.3	-58.7	-32.4	0	0	0	114	S16 F17 W43	S16-D45 CarbonylContact C-O 3.49Å; S16-D45 WeakPolarHBondContact CA-O 3.42Å; S16-D45 WeakPolarHBondContact CB-O 3.45Å; F17-D45 PolarHBondContact N-O 3.4Å; W43-D45 PolarHBondContact O-N 3.13Å
46	H	71.6	Confident	78.8	Confident	67 Å²	67	66.4 Å²	66.4	31%	0.31	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.6	-177.3	-60.8	57.5	0	0	0	112	F17 W43	F17-H46 VanDerWaalsContact CB-CD2 3.47Å; F17-H46 WeakPolarHBondContact CB-CD2 3.27Å; F17-H46 AromaticContact CD1-CD2 3.51Å; F17-H46 AromaticContact CG-CD2 3.79Å; F17-H46 AromaticContact CG-NE2 3.99Å; F17-H46 VanDerWaalsContact O-CA 3.26Å; F17-H46 WeakPolarHBondContact O-CA 3.44Å; W43-H46 HydrophobicContact CE3-CB 3.69Å; W43-H46 AromaticContact CE3-CD2 3.23Å; W43-H46 AromaticContact CE3-CG 3.36Å; W43-H46 AromaticContact CE3-ND1 3.97Å; W43-H46 AromaticContact CE3-NE2 3.84Å; W43-H46 HydrophobicContact CZ3-CB 4.3Å; W43-H46 AromaticContact CZ3-CD2 3.19Å; W43-H46 WeakPolarHBondContact CZ3-CD2 3.4Å; W43-H46 AromaticContact CZ3-CG 3.83Å; W43-H46 AromaticContact CZ3-NE2 3.77Å; W43-H46 PolarHBondContact O-N 3.44Å; W43-H46 VanDerWaalsContact O-N 3.1Å
47	R	82.3	Confident	78.6	Confident	144 Å²	144	71.6 Å²	71.6	54%	0.543	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.2	-179.1	-174.5	-179.3	-179.7	-179.7	-0	110.7	F17 Q18 I19 I49	F17-R47 PolarHBondContact O-N 2.99Å; Q18-R47 WeakPolarHBondContact CA-O 3.47Å; Q18-R47 HydrophobicContact CG-CB 4.46Å; I19-R47 PolarHBondContact N-O 2.89Å; R47-I49 HydrophobicContact CG-CG1 4.18Å
48	L	88.3	Confident	78.9	Confident	32 Å²	32	72 Å²	72	17%	0.168	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.9	172	-172.4	72.3	0	0	0	110.3	I19 H21 L33 E34 M37	I19-L48 HydrophobicContact CB-CD1 3.93Å; I19-L48 HydrophobicContact CG2-CD1 3.73Å; I19-L48 WeakPolarHBondContact O-CA 3.36Å; H21-L48 HydrophobicContact CB-CD1 3.75Å; H21-L48 HydrophobicContact CB-CG 4.32Å; L33-L48 HydrophobicContact CB-CD2 3.81Å; L33-L48 HydrophobicContact CD1-CD2 4.25Å; E34-L48 HydrophobicContact CG-CD2 4.5Å; M37-L48 HydrophobicContact CE-CB 3.62Å; M37-L48 HydrophobicContact CE-CD2 3.66Å; M37-L48 HydrophobicContact CE-CG 4.17Å; M37-L48 HydrophobicContact SD-CB 4.15Å
49	I	92	Very high	79.1	Confident	16 Å²	16	64.5 Å²	64.5	8%	0.082	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	102.6	178.1	-55.6	175.9	0	0	0	107.3	Q18 I19 H21 R47 L66 Y70 V72	Q18-I49 VanDerWaalsContact OE1-CD1 3.24Å; I19-I49 PolarHBondContact O-N 3.29Å; H21-I49 PolarHBondContact N-O 3.28Å; R47-I49 HydrophobicContact CG-CG1 4.18Å; I49-L66 HydrophobicContact CB-CD2 4.07Å; I49-L66 HydrophobicContact CG2-CD2 3.7Å; I49-L66 WeakPolarHBondContact O-CD2 3.5Å; I49-Y70 HydrophobicContact CD1-CD1 3.92Å; I49-Y70 HydrophobicContact CD1-CG 4.14Å; I49-Y70 HydrophobicContact CG2-CD1 4.06Å; I49-Y70 HydrophobicContact CG2-CD2 4.36Å; I49-Y70 HydrophobicContact CG2-CE1 4.26Å; I49-Y70 HydrophobicContact CG2-CG 4.1Å; I49-V72 HydrophobicContact CD1-CG1 4.35Å
50	S	92.4	Very high	79.6	Confident	32 Å²	32	62.9 Å²	62.9	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130	179.9	-58.8	0	0	0	0	111.3	H21 T30	H21-S50 PolarHBondContact ND1-OG 3.19Å; H21-S50 CarbonylContact O-C 3.57Å; H21-S50 VanDerWaalsContact O-CA 3.29Å; H21-S50 WeakPolarHBondContact O-CA 3.43Å; T30-S50 VanDerWaalsContact CG2-OG 3.29Å; T30-S50 WeakPolarHBondContact CG2-OG 3.44Å; T30-S50 WeakPolarHBondContact OG1-CB 3.49Å; T30-S50 PolarHBondContact OG1-OG 2.98Å
51	L	92.8	Very high	80.5	Confident	29 Å²	29	68.1 Å²	68.1	15%	0.152	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.1	167.9	-65.6	-176.6	0	0	0	109.6	H21 L22 E23 N62 N65 L66 Y70	H21-L51 PolarHBondContact O-N 3.39Å; L22-L51 CarbonylContact C-O 3.53Å; L22-L51 WeakPolarHBondContact CA-O 3.49Å; E23-L51 PolarHBondContact N-O 3.45Å; L51-N62 HydrophobicContact CB-CB 3.73Å; L51-N62 HydrophobicContact CD1-CB 3.86Å; L51-N62 HydrophobicContact CG-CB 4.47Å; L51-N65 HydrophobicContact CD1-CB 4.02Å; L51-L66 HydrophobicContact CD1-CD2 3.92Å; L51-L66 HydrophobicContact CD1-CG 3.82Å; L51-L66 HydrophobicContact CG-CD2 4Å; L51-L66 HydrophobicContact CG-CG 4.26Å; L51-Y70 HydrophobicContact CD1-CE2 4.13Å
52	P	91.1	Very high	82	Confident	71 Å²	71	66.6 Å²	66.6	46%	0.461	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	152	-176.7	27.4	-33.9	0	0	0	112.6	E23 N62	E23-P52 CarbonylContact O-C 3.52Å; P52-N62 PolarHBondContact O-ND2 3.4Å
53	S	90.2	Very high	83.6	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	172.8	178.6	64.4	0	0	0	0	111.4	L22 E23 H55 N58 A78 E83	L22-S53 PolarHBondContact O-OG 3.09Å; E23-S53 PolarHBondContact O-N 3.41Å; E23-S53 PolarHBondContact O-OG 3.39Å; S53-H55 VanDerWaalsContact C-N 3.28Å; S53-H55 PolarHBondContact O-N 2.82Å; S53-N58 VanDerWaalsContact C-OD1 3.26Å; S53-N58 VanDerWaalsContact CA-OD1 3.26Å; S53-N58 WeakPolarHBondContact CA-OD1 3.29Å; S53-A78 WeakPolarHBondContact OG-CB 3.43Å; S53-E83 WeakPolarHBondContact CB-OE2 3.43Å
54	C	86.4	Confident	85.3	Confident	30 Å²	30	64.5 Å²	64.5	20%	0.203	31%	0.313	C	S	.	.	S	Bend	trans	63.7	25.6	177.4	-54.2	0	0	0	0	115.4	F24 N58 C80 E83	F24-C54 HydrophobicContact CD2-CB 3.62Å; F24-C54 HydrophobicContact CE2-CB 3.74Å; C54-N58 PolarHBondContact N-OD1 3.29Å; C54-C80 WeakPolarHBondContact CA-SG 3.42Å; C54-C80 HydrophobicContact CB-CB 3.71Å; C54-C80 WeakPolarHBondContact CB-SG 3.49Å; C54-C80 WeakPolarHBondContact SG-CB 3.12Å; C54-C80 PolarHBondContact SG-N 2.87Å; C54-C80 VanDerWaalsContact SG-N 3.36Å; C54-C80 CovalentContact SG-SG 2.02Å; C54-C80 PolarHBondContact SG-SG 2.73Å; C54-E83 VanDerWaalsContact N-CD 3.28Å; C54-E83 PolarHBondContact N-OE1 3.5Å; C54-E83 PolarHBondContact N-OE2 2.8Å
55	H	84.9	Confident	87.3	Confident	87 Å²	87	55.7 Å²	55.7	40%	0.403	28%	0.284	S	S	.	.	S	Bend	trans	-132.2	108.3	172.4	-179.7	-67.9	0	0	0	110.2	E25 S53 F57 N58	E25-H55 IonicContact OE2-CD2 3.64Å; E25-H55 PolarHBondContact OE2-CD2 3.28Å; E25-H55 VanDerWaalsContact OE2-CD2 3.28Å; E25-H55 IonicContact OE2-CG 3.86Å; S53-H55 VanDerWaalsContact C-N 3.28Å; S53-H55 PolarHBondContact O-N 2.82Å; H55-F57 VanDerWaalsContact C-N 3.33Å; H55-F57 PolarHBondContact O-N 2.91Å; H55-N58 PolarHBondContact N-OD1 3.17Å; H55-N58 VanDerWaalsContact N-OD1 3.07Å; H55-N58 VanDerWaalsContact O-CB 3.25Å; H55-N58 WeakPolarHBondContact O-CB 3.1Å; H55-N58 PolarHBondContact O-N 3.3Å; H55-N58 PolarHBondContact O-ND2 3Å; H55-N58 PolarHBondContact O-OD1 3.44Å
56	N	84.5	Confident	88.8	Confident	142 Å²	142	51 Å²	51	76%	0.759	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	42.3	-176.7	-67.2	-20.4	0	0	0	113.9	N58	N56-N58 PolarHBondContact O-N 2.8Å; N56-N58 VanDerWaalsContact O-N 3.11Å
57	F	84.1	Confident	89.8	Confident	114 Å²	114	48.5 Å²	48.5	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	15.9	-179.9	-65.1	-87.2	0	0	0	115	H55 G59 L60 E82 E83	H55-F57 VanDerWaalsContact C-N 3.33Å; H55-F57 PolarHBondContact O-N 2.91Å; F57-G59 PolarHBondContact O-N 2.95Å; F57-L60 HydrophobicContact CB-CD1 4.34Å; F57-L60 HydrophobicContact CD1-CD1 4.15Å; F57-L60 PolarHBondContact O-N 3.42Å; F57-E82 HydrophobicContact CE1-CB 4.03Å; F57-E82 HydrophobicContact CZ-CB 4.41Å; F57-E82 WeakPolarHBondContact CZ-OE2 3.48Å; F57-E83 WeakPolarHBondContact CA-OE1 3.45Å; F57-E83 HydrophobicContact CD1-CG 4.2Å; F57-E83 PolarHBondContact N-OE1 2.74Å
58	N	89	Confident	90.3	Very high	34 Å²	34	49.3 Å²	49.3	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-22.5	-178.8	66.8	-14.9	0	0	0	113.4	S53 C54 H55 N56 L60 E61 N62 E83	S53-N58 VanDerWaalsContact C-OD1 3.26Å; S53-N58 VanDerWaalsContact CA-OD1 3.26Å; S53-N58 WeakPolarHBondContact CA-OD1 3.29Å; C54-N58 PolarHBondContact N-OD1 3.29Å; H55-N58 PolarHBondContact N-OD1 3.17Å; H55-N58 VanDerWaalsContact N-OD1 3.07Å; H55-N58 VanDerWaalsContact O-CB 3.25Å; H55-N58 WeakPolarHBondContact O-CB 3.1Å; H55-N58 PolarHBondContact O-N 3.3Å; H55-N58 PolarHBondContact O-ND2 3Å; H55-N58 PolarHBondContact O-OD1 3.44Å; N56-N58 PolarHBondContact O-N 2.8Å; N56-N58 VanDerWaalsContact O-N 3.11Å; N58-L60 PolarHBondContact O-N 3.32Å; N58-E61 PolarHBondContact O-N 3.03Å; N58-N62 WeakPolarHBondContact O-CB 3.41Å; N58-N62 PolarHBondContact O-N 3.27Å; N58-N62 PolarHBondContact O-ND2 3.07Å; N58-E83 PolarHBondContact N-OE1 3.46Å
59	G	87.7	Confident	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-25.4	177.1	0	0	0	0	0	112.8	F57 A63 E83	F57-G59 PolarHBondContact O-N 2.95Å; G59-A63 WeakPolarHBondContact O-CB 3.46Å; G59-A63 PolarHBondContact O-N 2.91Å; G59-E83 VanDerWaalsContact CA-OE2 3.27Å; G59-E83 WeakPolarHBondContact CA-OE2 3.31Å; G59-E83 PolarHBondContact N-OE1 3.01Å; G59-E83 PolarHBondContact N-OE2 3.05Å
60	L	90.1	Very high	90.4	Very high	41 Å²	41	57 Å²	57	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-71.6	-45.3	175.9	-64.5	172.6	0	0	0	112.6	F57 N58 N62 A63 A64 T86 V87 L90	F57-L60 HydrophobicContact CB-CD1 4.34Å; F57-L60 HydrophobicContact CD1-CD1 4.15Å; F57-L60 PolarHBondContact O-N 3.42Å; N58-L60 PolarHBondContact O-N 3.32Å; L60-N62 VanDerWaalsContact C-N 3.32Å; L60-A63 PolarHBondContact O-N 2.85Å; L60-A64 PolarHBondContact O-N 3.22Å; L60-A64 VanDerWaalsContact O-N 3.15Å; L60-T86 HydrophobicContact CD1-CG2 4.12Å; L60-T86 HydrophobicContact CD2-CG2 3.46Å; L60-T86 VanDerWaalsContact CD2-CG2 3.46Å; L60-T86 HydrophobicContact CG-CG2 4.45Å; L60-V87 HydrophobicContact CD2-CG2 3.85Å; L60-L90 HydrophobicContact CD2-CD1 4.29Å
61	E	91.1	Very high	90.1	Very high	131 Å²	131	59 Å²	59	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-45.1	173.8	-176.7	-178.5	174.6	0	0	110.1	N58 A63 A64 N65	N58-E61 PolarHBondContact O-N 3.03Å; E61-A63 PolarHBondContact O-N 2.69Å; E61-A64 WeakPolarHBondContact O-CB 3.3Å; E61-A64 PolarHBondContact O-N 3.45Å; E61-A64 VanDerWaalsContact O-N 3.16Å; E61-N65 PolarHBondContact O-N 2.8Å
62	N	93.5	Very high	90	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-33.1	-179.7	-74.6	-30	0	0	0	112.9	L22 L51 P52 N58 L60 A64 N65 L66	L22-N62 HydrophobicContact CD2-CB 4.03Å; L51-N62 HydrophobicContact CB-CB 3.73Å; L51-N62 HydrophobicContact CD1-CB 3.86Å; L51-N62 HydrophobicContact CG-CB 4.47Å; P52-N62 PolarHBondContact O-ND2 3.4Å; N58-N62 WeakPolarHBondContact O-CB 3.41Å; N58-N62 PolarHBondContact O-N 3.27Å; N58-N62 PolarHBondContact O-ND2 3.07Å; L60-N62 VanDerWaalsContact C-N 3.32Å; N62-A64 VanDerWaalsContact C-N 3.3Å; N62-A64 PolarHBondContact O-N 3.06Å; N62-N65 PolarHBondContact O-N 3.06Å; N62-L66 WeakPolarHBondContact O-CB 3.38Å; N62-L66 VanDerWaalsContact O-CG 3.28Å; N62-L66 WeakPolarHBondContact O-CG 3.39Å; N62-L66 PolarHBondContact O-N 3.45Å
63	A	92.8	Very high	89.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-41.3	170.6	0	0	0	0	0	111.3	L22 G59 L60 E61 N67 V87 W94	L22-A63 HydrophobicContact CD1-CB 4.14Å; L22-A63 HydrophobicContact CD2-CB 4.41Å; G59-A63 WeakPolarHBondContact O-CB 3.46Å; G59-A63 PolarHBondContact O-N 2.91Å; L60-A63 PolarHBondContact O-N 2.85Å; E61-A63 PolarHBondContact O-N 2.69Å; A63-N67 WeakPolarHBondContact O-CB 3.44Å; A63-N67 PolarHBondContact O-N 2.91Å; A63-V87 HydrophobicContact CB-CG1 4.36Å; A63-V87 HydrophobicContact CB-CG2 4.13Å; A63-W94 HydrophobicContact CB-CH2 4.26Å; A63-W94 HydrophobicContact CB-CZ3 4.21Å
64	A	92.3	Very high	89.6	Confident	28 Å²	28	56.6 Å²	56.6	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-40.9	174.9	0	0	0	0	0	111.9	L60 E61 N62 N67 Y68 W94	L60-A64 PolarHBondContact O-N 3.22Å; L60-A64 VanDerWaalsContact O-N 3.15Å; E61-A64 WeakPolarHBondContact O-CB 3.3Å; E61-A64 PolarHBondContact O-N 3.45Å; E61-A64 VanDerWaalsContact O-N 3.16Å; N62-A64 VanDerWaalsContact C-N 3.3Å; N62-A64 PolarHBondContact O-N 3.06Å; A64-N67 PolarHBondContact O-N 3.4Å; A64-Y68 HydrophobicContact CB-CD2 4.4Å; A64-Y68 WeakPolarHBondContact O-CD2 3.37Å; A64-Y68 PolarHBondContact O-N 2.78Å; A64-W94 HydrophobicContact CB-CH2 4.19Å; A64-W94 HydrophobicContact CB-CZ2 4.28Å
65	N	94.3	Very high	89.9	Confident	50 Å²	50	55.1 Å²	55.1	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-46.6	175.3	-70.1	-24.1	0	0	0	111.5	L51 E61 N62 N67 Y68 Q69 Y70	L51-N65 HydrophobicContact CD1-CB 4.02Å; E61-N65 PolarHBondContact O-N 2.8Å; N62-N65 PolarHBondContact O-N 3.06Å; N65-N67 PolarHBondContact O-N 2.92Å; N65-Y68 PolarHBondContact O-N 2.96Å; N65-Q69 WeakPolarHBondContact O-CA 3.37Å; N65-Q69 VanDerWaalsContact O-CB 3.24Å; N65-Q69 WeakPolarHBondContact O-CB 3.45Å; N65-Q69 PolarHBondContact O-N 3.36Å; N65-Y70 WeakPolarHBondContact O-CD2 3.4Å; N65-Y70 PolarHBondContact O-N 3.43Å
66	L	93.5	Very high	90.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55	-42.8	173.6	-71.9	170.8	0	0	0	111.2	L22 I49 L51 N62 Y70 S71 V72 L75	L22-L66 HydrophobicContact CD2-CD1 3.83Å; L22-L66 HydrophobicContact CG-CD1 4.21Å; I49-L66 HydrophobicContact CB-CD2 4.07Å; I49-L66 HydrophobicContact CG2-CD2 3.7Å; I49-L66 WeakPolarHBondContact O-CD2 3.5Å; L51-L66 HydrophobicContact CD1-CD2 3.92Å; L51-L66 HydrophobicContact CD1-CG 3.82Å; L51-L66 HydrophobicContact CG-CD2 4Å; L51-L66 HydrophobicContact CG-CG 4.26Å; N62-L66 WeakPolarHBondContact O-CB 3.38Å; N62-L66 VanDerWaalsContact O-CG 3.28Å; N62-L66 WeakPolarHBondContact O-CG 3.39Å; N62-L66 PolarHBondContact O-N 3.45Å; L66-Y70 HydrophobicContact CD2-CD2 4.25Å; L66-Y70 CarbonylContact O-C 3.52Å; L66-S71 PolarHBondContact O-N 2.93Å; L66-S71 VanDerWaalsContact O-N 3.12Å; L66-V72 HydrophobicContact CB-CG1 4.18Å; L66-V72 HydrophobicContact CB-CG2 3.99Å; L66-V72 HydrophobicContact CD2-CG1 4.12Å; L66-V72 WeakPolarHBondContact O-CG1 3.32Å; L66-V72 WeakPolarHBondContact O-CG2 3.37Å; L66-V72 PolarHBondContact O-N 3.37Å; L66-L75 HydrophobicContact CB-CD2 4.04Å; L66-L75 HydrophobicContact CD1-CD2 3.98Å
67	N	92.7	Very high	90.4	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-51.6	-179.7	-177.5	66.3	0	0	0	113.9	A63 A64 N65 S71 W94 K96	A63-N67 WeakPolarHBondContact O-CB 3.44Å; A63-N67 PolarHBondContact O-N 2.91Å; A64-N67 PolarHBondContact O-N 3.4Å; N65-N67 PolarHBondContact O-N 2.92Å; N67-S71 WeakPolarHBondContact O-CA 3.36Å; N67-S71 PolarHBondContact O-N 2.84Å; N67-W94 HydrophobicContact CB-CD2 3.93Å; N67-W94 HydrophobicContact CB-CE3 3.82Å; N67-W94 HydrophobicContact CB-CH2 4.09Å; N67-W94 HydrophobicContact CB-CZ2 4.2Å; N67-W94 HydrophobicContact CB-CZ3 3.9Å; N67-W94 VanDerWaalsContact CG-CD2 3.48Å; N67-W94 PolarHBondContact ND2-NE1 2.83Å; N67-K96 WeakPolarHBondContact OD1-CD 3.35Å; N67-K96 WeakPolarHBondContact OD1-CE 3.4Å; N67-K96 PolarHBondContact OD1-NZ 3.14Å
68	Y	92.1	Very high	89.8	Confident	162 Å²	162	38.8 Å²	38.8	64%	0.635	19%	0.192	S	C	*	.	H	α-helix	trans	-94.3	-35	-168.9	-69.7	-68.1	0	0	0	114.1	A64 N65 W94	A64-Y68 HydrophobicContact CB-CD2 4.4Å; A64-Y68 WeakPolarHBondContact O-CD2 3.37Å; A64-Y68 PolarHBondContact O-N 2.78Å; N65-Y68 PolarHBondContact O-N 2.96Å; Y68-W94 HydrophobicContact CE2-CZ2 4.07Å; Y68-W94 AromaticContact CE2-NE1 3.84Å; Y68-W94 AromaticContact CZ-NE1 3.71Å; Y68-W94 PolarHBondContact OH-NE1 3.39Å
69	Q	92.2	Very high	88.8	Confident	130 Å²	130	37.6 Å²	37.6	61%	0.607	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-42.4	-178.1	-177.9	-179.2	-14.6	0	0	111.6	N65	N65-Q69 WeakPolarHBondContact O-CA 3.37Å; N65-Q69 VanDerWaalsContact O-CB 3.24Å; N65-Q69 WeakPolarHBondContact O-CB 3.45Å; N65-Q69 PolarHBondContact O-N 3.36Å
70	Y	90.1	Very high	88.5	Confident	78 Å²	78	38.9 Å²	38.9	31%	0.306	20%	0.196	S	C	.	.	S	Bend	trans	-96.4	-15.6	-177.1	-63.4	-77.7	0	0	0	113.5	Q18 I49 L51 N65 L66 V72	Q18-Y70 PolarHBondContact OE1-O 3.46Å; I49-Y70 HydrophobicContact CD1-CD1 3.92Å; I49-Y70 HydrophobicContact CD1-CG 4.14Å; I49-Y70 HydrophobicContact CG2-CD1 4.06Å; I49-Y70 HydrophobicContact CG2-CD2 4.36Å; I49-Y70 HydrophobicContact CG2-CE1 4.26Å; I49-Y70 HydrophobicContact CG2-CG 4.1Å; L51-Y70 HydrophobicContact CD1-CE2 4.13Å; N65-Y70 WeakPolarHBondContact O-CD2 3.4Å; N65-Y70 PolarHBondContact O-N 3.43Å; L66-Y70 HydrophobicContact CD2-CD2 4.25Å; L66-Y70 CarbonylContact O-C 3.52Å; Y70-V72 PolarHBondContact O-N 2.87Å
71	S	87.3	Confident	87.8	Confident	75 Å²	75	41.3 Å²	41.3	52%	0.524	21%	0.209	S	C	.	.			trans	55.8	45.7	179.9	-58.5	0	0	0	0	113.1	L66 N67	L66-S71 PolarHBondContact O-N 2.93Å; L66-S71 VanDerWaalsContact O-N 3.12Å; N67-S71 WeakPolarHBondContact O-CA 3.36Å; N67-S71 PolarHBondContact O-N 2.84Å
72	V	89.6	Confident	87.3	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.211	C	C	.	.			trans	-65.8	147.7	-179.2	-59	0	0	0	0	112.8	Q18 I49 L66 Y70 L75 K96	Q18-V72 HydrophobicContact CB-CB 4.4Å; Q18-V72 HydrophobicContact CB-CG1 4.39Å; Q18-V72 CarbonylContact O-C 3.57Å; I49-V72 HydrophobicContact CD1-CG1 4.35Å; L66-V72 HydrophobicContact CB-CG1 4.18Å; L66-V72 HydrophobicContact CB-CG2 3.99Å; L66-V72 HydrophobicContact CD2-CG1 4.12Å; L66-V72 WeakPolarHBondContact O-CG1 3.32Å; L66-V72 WeakPolarHBondContact O-CG2 3.37Å; L66-V72 PolarHBondContact O-N 3.37Å; Y70-V72 PolarHBondContact O-N 2.87Å; V72-L75 HydrophobicContact CG2-CD2 3.87Å; V72-L75 HydrophobicContact CG2-CG 4.43Å; V72-K96 WeakPolarHBondContact O-CD 3.22Å; V72-K96 WeakPolarHBondContact O-CE 3.22Å; V72-K96 PolarHBondContact O-NZ 3.15Å
73	D	84.7	Confident	87	Confident	48 Å²	48	40.8 Å²	40.8	26%	0.257	21%	0.206	S	C	.	.	S	Bend	trans	-85.5	-28.6	177.7	-59	-64.2	0	0	0	112.6	F17 Q18 I311	F17-D73 WeakPolarHBondContact CA-OD2 3.03Å; F17-D73 HydrophobicContact CD1-CB 4.39Å; F17-D73 HydrophobicContact CD2-CB 3.92Å; F17-D73 HydrophobicContact CE1-CB 4.18Å; F17-D73 HydrophobicContact CE2-CB 3.67Å; F17-D73 HydrophobicContact CG-CB 4.29Å; F17-D73 HydrophobicContact CZ-CB 3.82Å; Q18-D73 PolarHBondContact N-OD2 2.79Å; Q18-D73 PolarHBondContact O-N 3.32Å; D73-I311 HydrophobicContact CB-CD1 4.31Å
74	L	89.2	Confident	86.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.8	-174.6	-178.5	78.3	0	0	0	110.5	F17 Q18 I19 G20 L97 L99 L299	F17-L74 HydrophobicContact CE1-CB 3.97Å; F17-L74 HydrophobicContact CE1-CD2 4.5Å; F17-L74 HydrophobicContact CZ-CB 4.24Å; Q18-L74 PolarHBondContact O-N 3.38Å; I19-L74 HydrophobicContact CG1-CD2 4.35Å; I19-L74 HydrophobicContact CG2-CD2 4.06Å; G20-L74 PolarHBondContact N-O 3.04Å; L74-L97 HydrophobicContact CD1-CB 3.56Å; L74-L97 HydrophobicContact CD1-CD2 3.69Å; L74-L97 HydrophobicContact CD1-CG 3.76Å; L74-L97 VanDerWaalsContact CD1-O 3.31Å; L74-L97 WeakPolarHBondContact CD1-O 3.46Å; L74-L99 HydrophobicContact CD1-CD1 4.5Å; L74-L99 HydrophobicContact CD1-CG 4.2Å; L74-L99 HydrophobicContact CD2-CD1 3.94Å; L74-L99 HydrophobicContact CD2-CG 4.41Å; L74-L299 HydrophobicContact CD2-CD1 3.4Å; L74-L299 VanDerWaalsContact CD2-CD1 3.4Å
75	L	92.9	Very high	86.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.2	168	-68.8	169.9	0	0	0	110.7	G20 L66 V72 V87 A91 W94 L97 Y98 L99	G20-L75 CarbonylContact O-C 3.6Å; G20-L75 WeakPolarHBondContact O-CA 3.31Å; L66-L75 HydrophobicContact CB-CD2 4.04Å; L66-L75 HydrophobicContact CD1-CD2 3.98Å; V72-L75 HydrophobicContact CG2-CD2 3.87Å; V72-L75 HydrophobicContact CG2-CG 4.43Å; L75-V87 HydrophobicContact CD1-CG1 4.4Å; L75-A91 HydrophobicContact CD1-CB 4.27Å; L75-W94 HydrophobicContact CD1-CE3 4.03Å; L75-W94 HydrophobicContact CD1-CZ3 3.96Å; L75-L97 PolarHBondContact N-O 2.95Å; L75-Y98 HydrophobicContact CB-CD2 3.64Å; L75-Y98 HydrophobicContact CB-CE2 4.37Å; L75-Y98 HydrophobicContact CB-CG 4.49Å; L75-Y98 CarbonylContact O-C 3.59Å; L75-Y98 WeakPolarHBondContact O-CA 3.49Å; L75-L99 PolarHBondContact O-N 3.35Å
76	I	92.5	Very high	86.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.2	176.9	-173	165.9	0	0	0	110.7	I19 G20 H21 L22 L99 L292 L296	I19-I76 HydrophobicContact CG2-CB 4.42Å; I19-I76 HydrophobicContact CG2-CG2 3.57Å; G20-I76 PolarHBondContact O-N 3.49Å; H21-I76 CarbonylContact C-O 3.49Å; H21-I76 WeakPolarHBondContact CA-O 3.3Å; H21-I76 HydrophobicContact CB-CG2 3.73Å; L22-I76 PolarHBondContact N-O 3.47Å; I76-L99 WeakPolarHBondContact CA-O 3.23Å; I76-L99 HydrophobicContact CB-CB 4.18Å; I76-L99 HydrophobicContact CD1-CB 4.31Å; I76-L99 HydrophobicContact CD1-CD1 4.21Å; I76-L99 HydrophobicContact CG1-CB 3.92Å; I76-L292 HydrophobicContact CD1-CB 4.06Å; I76-L292 HydrophobicContact CD1-CD2 4.22Å; I76-L292 HydrophobicContact CG1-CB 4.4Å; I76-L292 HydrophobicContact CG1-CD2 3.72Å; I76-L296 HydrophobicContact CD1-CD2 3.77Å; I76-L296 HydrophobicContact CD1-CG 3.84Å
77	G	86.7	Confident	86.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.4	-155.4	-169.5	0	0	0	0	0	110.2	Y98 L99	G77-Y98 WeakPolarHBondContact O-CE2 3.44Å; G77-Y98 PolarHBondContact O-OH 2.78Å; G77-L99 PolarHBondContact N-O 2.93Å
78	A	70.7	Confident	86.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.			cis	-72.7	166.2	-37.7	0	0	0	0	0	110.5	L22 S53 T84 Y98	L22-A78 HydrophobicContact CB-CB 3.89Å; L22-A78 HydrophobicContact CD1-CB 4.5Å; S53-A78 WeakPolarHBondContact OG-CB 3.43Å; A78-T84 PolarHBondContact O-OG1 2.75Å; A78-T84 VanDerWaalsContact O-OG1 3.09Å; A78-Y98 PolarHBondContact N-OH 3.3Å
79	A	69.3	Low	86	Confident	9 Å²	9	40.4 Å²	40.4	7%	0.074	20%	0.201	C	C	.	.			trans	-88.1	-0.2	-175.7	0	0	0	0	0	115.5	F24 S101 K288	F24-A79 HydrophobicContact CB-CB 4.12Å; F24-A79 HydrophobicContact CD2-CB 4.1Å; F24-A79 HydrophobicContact CG-CB 4.2Å; A79-S101 WeakPolarHBondContact CA-OG 3.36Å; A79-K288 HydrophobicContact CB-CD 4.2Å
80	C	80.5	Confident	86	Confident	27 Å²	27	36.7 Å²	36.7	18%	0.182	19%	0.185	C	C	.	.			trans	-104.9	130.6	-179.8	54.8	0	0	0	0	112.2	C54 E82 E83 T84	C54-C80 WeakPolarHBondContact CA-SG 3.42Å; C54-C80 HydrophobicContact CB-CB 3.71Å; C54-C80 WeakPolarHBondContact CB-SG 3.49Å; C54-C80 WeakPolarHBondContact SG-CB 3.12Å; C54-C80 PolarHBondContact SG-N 2.87Å; C54-C80 VanDerWaalsContact SG-N 3.36Å; C54-C80 CovalentContact SG-SG 2.02Å; C54-C80 PolarHBondContact SG-SG 2.73Å; C80-E82 VanDerWaalsContact C-N 3.28Å; C80-E82 PolarHBondContact O-N 3.25Å; C80-E83 PolarHBondContact O-N 3.19Å; C80-T84 PolarHBondContact O-N 3.15Å; C80-T84 PolarHBondContact O-OG1 2.92Å
81	D	76.3	Confident	86	Confident	92 Å²	92	33 Å²	33	49%	0.492	17%	0.17	S	C	.	.	H	α-helix	trans	-60.3	-35.5	-171.7	-56.3	-25.9	0	0	0	113.2	Q85 A102	D81-Q85 PolarHBondContact O-N 2.72Å; D81-A102 WeakPolarHBondContact OD1-CB 3.27Å
82	E	79.9	Confident	86.2	Confident	137 Å²	137	30.8 Å²	30.8	64%	0.64	15%	0.153	S	C	*	.	H	α-helix	trans	-63.1	-45.2	-176.3	-62.7	-178.5	178.9	0	0	113.2	F57 C80	F57-E82 HydrophobicContact CE1-CB 4.03Å; F57-E82 HydrophobicContact CZ-CB 4.41Å; F57-E82 WeakPolarHBondContact CZ-OE2 3.48Å; C80-E82 VanDerWaalsContact C-N 3.28Å; C80-E82 PolarHBondContact O-N 3.25Å
83	E	87.5	Confident	86.2	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-79.5	-38.3	179.2	-67	-177	167.6	0	0	111	S53 C54 F57 N58 G59 C80 Q85 T86 V87	S53-E83 WeakPolarHBondContact CB-OE2 3.43Å; C54-E83 VanDerWaalsContact N-CD 3.28Å; C54-E83 PolarHBondContact N-OE1 3.5Å; C54-E83 PolarHBondContact N-OE2 2.8Å; F57-E83 WeakPolarHBondContact CA-OE1 3.45Å; F57-E83 HydrophobicContact CD1-CG 4.2Å; F57-E83 PolarHBondContact N-OE1 2.74Å; N58-E83 PolarHBondContact N-OE1 3.46Å; G59-E83 VanDerWaalsContact CA-OE2 3.27Å; G59-E83 WeakPolarHBondContact CA-OE2 3.31Å; G59-E83 PolarHBondContact N-OE1 3.01Å; G59-E83 PolarHBondContact N-OE2 3.05Å; C80-E83 PolarHBondContact O-N 3.19Å; E83-Q85 PolarHBondContact O-N 2.92Å; E83-T86 PolarHBondContact O-N 3.38Å; E83-T86 VanDerWaalsContact O-N 3.07Å; E83-V87 WeakPolarHBondContact O-CG2 3.5Å; E83-V87 PolarHBondContact O-N 3.49Å
84	T	88.3	Confident	86.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.1	-47	-174.7	-63.7	0	0	0	0	112.7	A78 C80 T86 V87 S88 Y98 S100 A102 L104	A78-T84 PolarHBondContact O-OG1 2.75Å; A78-T84 VanDerWaalsContact O-OG1 3.09Å; C80-T84 PolarHBondContact O-N 3.15Å; C80-T84 PolarHBondContact O-OG1 2.92Å; T84-T86 VanDerWaalsContact C-N 3.25Å; T84-T86 PolarHBondContact O-N 2.76Å; T84-V87 PolarHBondContact O-N 3.22Å; T84-S88 WeakPolarHBondContact O-CB 3.43Å; T84-S88 PolarHBondContact O-N 2.81Å; T84-Y98 HydrophobicContact CG2-CE1 3.91Å; T84-Y98 WeakPolarHBondContact CG2-OH 3.49Å; T84-S100 WeakPolarHBondContact CG2-OG 3.33Å; T84-A102 HydrophobicContact CG2-CB 3.92Å; T84-L104 HydrophobicContact CG2-CD1 3.46Å; T84-L104 VanDerWaalsContact CG2-CD1 3.46Å; T84-L104 HydrophobicContact CG2-CD2 3.7Å; T84-L104 HydrophobicContact CG2-CG 3.76Å
85	Q	86.5	Confident	86.5	Confident	61 Å²	61	42.6 Å²	42.6	29%	0.285	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-38.7	-178.9	-72.3	-173.7	-0.3	0	0	111.9	D81 E83 S88 R89 L104 E108	D81-Q85 PolarHBondContact O-N 2.72Å; E83-Q85 PolarHBondContact O-N 2.92Å; Q85-S88 WeakPolarHBondContact O-CB 3.43Å; Q85-S88 PolarHBondContact O-N 2.82Å; Q85-R89 WeakPolarHBondContact O-CG 3.42Å; Q85-R89 PolarHBondContact O-N 3.35Å; Q85-L104 HydrophobicContact CG-CD2 3.83Å; Q85-E108 HydrophobicContact CG-CB 4.44Å
86	T	88.9	Confident	86.3	Confident	52 Å²	52	43.4 Å²	43.4	32%	0.319	20%	0.2	S	C	.	.	H	α-helix	trans	-76.6	-37.6	-179.6	-54.4	0	0	0	0	111	L60 E83 T84 S88 R89 L90	L60-T86 HydrophobicContact CD1-CG2 4.12Å; L60-T86 HydrophobicContact CD2-CG2 3.46Å; L60-T86 VanDerWaalsContact CD2-CG2 3.46Å; L60-T86 HydrophobicContact CG-CG2 4.45Å; E83-T86 PolarHBondContact O-N 3.38Å; E83-T86 VanDerWaalsContact O-N 3.07Å; T84-T86 VanDerWaalsContact C-N 3.25Å; T84-T86 PolarHBondContact O-N 2.76Å; T86-S88 VanDerWaalsContact C-N 3.3Å; T86-S88 PolarHBondContact O-N 3.3Å; T86-R89 WeakPolarHBondContact O-CB 3.42Å; T86-R89 PolarHBondContact O-N 3.15Å; T86-L90 WeakPolarHBondContact O-CG 3.15Å; T86-L90 PolarHBondContact O-N 2.78Å
87	V	91.5	Very high	86.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-39.1	171.5	176.9	0	0	0	0	111.1	L22 L60 A63 L75 E83 T84 R89 L90 A91 Y98	L22-V87 HydrophobicContact CD1-CG1 4.02Å; L22-V87 HydrophobicContact CD1-CG2 3.97Å; L60-V87 HydrophobicContact CD2-CG2 3.85Å; A63-V87 HydrophobicContact CB-CG1 4.36Å; A63-V87 HydrophobicContact CB-CG2 4.13Å; L75-V87 HydrophobicContact CD1-CG1 4.4Å; E83-V87 WeakPolarHBondContact O-CG2 3.5Å; E83-V87 PolarHBondContact O-N 3.49Å; T84-V87 PolarHBondContact O-N 3.22Å; V87-R89 VanDerWaalsContact C-N 3.32Å; V87-R89 PolarHBondContact O-N 3.12Å; V87-L90 PolarHBondContact O-N 3.31Å; V87-A91 WeakPolarHBondContact O-CB 3.45Å; V87-A91 PolarHBondContact O-N 3.3Å; V87-Y98 HydrophobicContact CB-CE1 4.13Å; V87-Y98 HydrophobicContact CB-CE2 4.47Å; V87-Y98 HydrophobicContact CG1-CD1 4.3Å; V87-Y98 HydrophobicContact CG1-CD2 4.02Å; V87-Y98 HydrophobicContact CG1-CE1 3.9Å; V87-Y98 HydrophobicContact CG1-CE2 3.56Å; V87-Y98 HydrophobicContact CG1-CG 4.37Å
88	S	90.6	Very high	86.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-44	174.5	-178.1	0	0	0	0	112.1	T84 Q85 T86 A91 L92 E110 T113	T84-S88 WeakPolarHBondContact O-CB 3.43Å; T84-S88 PolarHBondContact O-N 2.81Å; Q85-S88 WeakPolarHBondContact O-CB 3.43Å; Q85-S88 PolarHBondContact O-N 2.82Å; T86-S88 VanDerWaalsContact C-N 3.3Å; T86-S88 PolarHBondContact O-N 3.3Å; S88-A91 PolarHBondContact O-N 2.87Å; S88-L92 PolarHBondContact O-N 3.49Å; S88-L92 VanDerWaalsContact O-N 3.15Å; S88-E110 PolarHBondContact OG-N 2.96Å; S88-T113 WeakPolarHBondContact CB-OG1 3.45Å; S88-T113 WeakPolarHBondContact OG-CB 3.31Å; S88-T113 PolarHBondContact OG-OG1 3.04Å
89	R	90.7	Very high	87.5	Confident	134 Å²	134	43.5 Å²	43.5	51%	0.506	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-42.4	174	-70.3	172.1	-179.2	169.2	6.7	113.2	Q85 T86 V87 R93 E110	Q85-R89 WeakPolarHBondContact O-CG 3.42Å; Q85-R89 PolarHBondContact O-N 3.35Å; T86-R89 WeakPolarHBondContact O-CB 3.42Å; T86-R89 PolarHBondContact O-N 3.15Å; V87-R89 VanDerWaalsContact C-N 3.32Å; V87-R89 PolarHBondContact O-N 3.12Å; R89-R93 WeakPolarHBondContact O-CG 3.21Å; R89-R93 PolarHBondContact O-N 2.86Å; R89-E110 HydrophobicContact CB-CG 4.48Å; R89-E110 HydrophobicContact CG-CG 3.97Å; R89-E110 WeakPolarHBondContact CG-OE1 3.44Å; R89-E110 IonicContact NE-OE1 2.86Å
90	L	91.7	Very high	88.5	Confident	52 Å²	52	43 Å²	43	27%	0.272	20%	0.197	S	C	.	.	H	α-helix	trans	-66.9	-43.8	177.9	-68.9	172.7	0	0	0	111.6	L60 T86 V87 L92 R93 W94	L60-L90 HydrophobicContact CD2-CD1 4.29Å; T86-L90 WeakPolarHBondContact O-CG 3.15Å; T86-L90 PolarHBondContact O-N 2.78Å; V87-L90 PolarHBondContact O-N 3.31Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.42Å; L90-R93 CarbonylContact O-C 3.59Å; L90-R93 WeakPolarHBondContact O-CA 3.46Å; L90-R93 WeakPolarHBondContact O-CB 3.42Å; L90-R93 PolarHBondContact O-N 3.2Å; L90-W94 HydrophobicContact CB-CD2 4.28Å; L90-W94 HydrophobicContact CB-CE3 3.98Å; L90-W94 HydrophobicContact CB-CH2 3.64Å; L90-W94 HydrophobicContact CB-CZ2 3.95Å; L90-W94 HydrophobicContact CB-CZ3 3.66Å; L90-W94 HydrophobicContact CD1-CH2 3.82Å; L90-W94 HydrophobicContact CD1-CZ2 4.27Å; L90-W94 HydrophobicContact CD1-CZ3 4.47Å; L90-W94 HydrophobicContact CD2-CH2 4.4Å; L90-W94 HydrophobicContact CD2-CZ2 4.07Å; L90-W94 HydrophobicContact CG-CH2 4.16Å; L90-W94 HydrophobicContact CG-CZ2 4.33Å; L90-W94 VanDerWaalsContact O-CD2 3.32Å; L90-W94 VanDerWaalsContact O-CG 3.3Å; L90-W94 PolarHBondContact O-N 3.49Å
91	A	91	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-40.6	177.5	0	0	0	0	0	112.1	L75 V87 S88 R93 W94 H95 K96 Y98	L75-A91 HydrophobicContact CD1-CB 4.27Å; V87-A91 WeakPolarHBondContact O-CB 3.45Å; V87-A91 PolarHBondContact O-N 3.3Å; S88-A91 PolarHBondContact O-N 2.87Å; A91-R93 PolarHBondContact O-N 3.02Å; A91-W94 CarbonylContact O-C 3.56Å; A91-W94 PolarHBondContact O-N 3.03Å; A91-H95 PolarHBondContact O-N 2.77Å; A91-K96 PolarHBondContact O-N 3.36Å; A91-Y98 HydrophobicContact CB-CG 4.27Å
92	L	90.3	Very high	89	Confident	30 Å²	30	37.7 Å²	37.7	16%	0.157	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-45.2	172.9	174.4	65.6	0	0	0	111.7	S88 L90 W94 H95 E110 S111 T112	S88-L92 PolarHBondContact O-N 3.49Å; S88-L92 VanDerWaalsContact O-N 3.15Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.42Å; L92-W94 VanDerWaalsContact C-N 3.29Å; L92-W94 PolarHBondContact O-N 2.91Å; L92-H95 PolarHBondContact O-N 3.2Å; L92-E110 HydrophobicContact CB-CB 3.87Å; L92-E110 HydrophobicContact CB-CG 4.11Å; L92-E110 HydrophobicContact CD2-CB 3.98Å; L92-E110 HydrophobicContact CD2-CG 3.95Å; L92-E110 VanDerWaalsContact CD2-OE2 3.31Å; L92-E110 WeakPolarHBondContact CD2-OE2 3.44Å; L92-E110 HydrophobicContact CG-CB 4.39Å; L92-S111 WeakPolarHBondContact CD1-OG 3.36Å; L92-T112 WeakPolarHBondContact CA-OG1 3.4Å; L92-T112 HydrophobicContact CB-CG2 4.48Å; L92-T112 HydrophobicContact CD1-CG2 3.72Å; L92-T112 PolarHBondContact N-OG1 3.22Å
93	R	91	Very high	88.6	Confident	186 Å²	186	33.2 Å²	33.2	70%	0.702	15%	0.15	S	C	*	.	H	α-helix	trans	-68.5	-28.9	179.1	-64.7	-67.5	178.8	-112.6	-2.7	112.8	R89 L90 A91 H95	R89-R93 WeakPolarHBondContact O-CG 3.21Å; R89-R93 PolarHBondContact O-N 2.86Å; L90-R93 CarbonylContact O-C 3.59Å; L90-R93 WeakPolarHBondContact O-CA 3.46Å; L90-R93 WeakPolarHBondContact O-CB 3.42Å; L90-R93 PolarHBondContact O-N 3.2Å; A91-R93 PolarHBondContact O-N 3.02Å; R93-H95 VanDerWaalsContact C-N 3.33Å
94	W	91.2	Very high	87.9	Confident	31 Å²	31	33.4 Å²	33.4	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-87.4	-3.4	175.3	-59.7	-32.3	0	0	0	113.4	A63 A64 N67 Y68 L75 L90 A91 L92 K96	A63-W94 HydrophobicContact CB-CH2 4.26Å; A63-W94 HydrophobicContact CB-CZ3 4.21Å; A64-W94 HydrophobicContact CB-CH2 4.19Å; A64-W94 HydrophobicContact CB-CZ2 4.28Å; N67-W94 HydrophobicContact CB-CD2 3.93Å; N67-W94 HydrophobicContact CB-CE3 3.82Å; N67-W94 HydrophobicContact CB-CH2 4.09Å; N67-W94 HydrophobicContact CB-CZ2 4.2Å; N67-W94 HydrophobicContact CB-CZ3 3.9Å; N67-W94 VanDerWaalsContact CG-CD2 3.48Å; N67-W94 PolarHBondContact ND2-NE1 2.83Å; Y68-W94 HydrophobicContact CE2-CZ2 4.07Å; Y68-W94 AromaticContact CE2-NE1 3.84Å; Y68-W94 AromaticContact CZ-NE1 3.71Å; Y68-W94 PolarHBondContact OH-NE1 3.39Å; L75-W94 HydrophobicContact CD1-CE3 4.03Å; L75-W94 HydrophobicContact CD1-CZ3 3.96Å; L90-W94 HydrophobicContact CB-CD2 4.28Å; L90-W94 HydrophobicContact CB-CE3 3.98Å; L90-W94 HydrophobicContact CB-CH2 3.64Å; L90-W94 HydrophobicContact CB-CZ2 3.95Å; L90-W94 HydrophobicContact CB-CZ3 3.66Å; L90-W94 HydrophobicContact CD1-CH2 3.82Å; L90-W94 HydrophobicContact CD1-CZ2 4.27Å; L90-W94 HydrophobicContact CD1-CZ3 4.47Å; L90-W94 HydrophobicContact CD2-CH2 4.4Å; L90-W94 HydrophobicContact CD2-CZ2 4.07Å; L90-W94 HydrophobicContact CG-CH2 4.16Å; L90-W94 HydrophobicContact CG-CZ2 4.33Å; L90-W94 VanDerWaalsContact O-CD2 3.32Å; L90-W94 VanDerWaalsContact O-CG 3.3Å; L90-W94 PolarHBondContact O-N 3.49Å; A91-W94 CarbonylContact O-C 3.56Å; A91-W94 PolarHBondContact O-N 3.03Å; L92-W94 VanDerWaalsContact C-N 3.29Å; L92-W94 PolarHBondContact O-N 2.91Å; W94-K96 HydrophobicContact CB-CD 4.3Å; W94-K96 HydrophobicContact CB-CG 4.09Å; W94-K96 PolarHBondContact O-N 3.27Å
95	H	88.9	Confident	87	Confident	79 Å²	79	35.7 Å²	35.7	37%	0.366	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.2	-173.6	-57.7	-72.5	0	0	0	112.9	A91 L92 R93 V312 L315	A91-H95 PolarHBondContact O-N 2.77Å; L92-H95 PolarHBondContact O-N 3.2Å; R93-H95 VanDerWaalsContact C-N 3.33Å; H95-V312 HydrophobicContact CB-CB 4.47Å; H95-V312 HydrophobicContact CB-CG2 3.86Å; H95-L315 HydrophobicContact CB-CD2 4.28Å
96	K	88.9	Confident	85.9	Confident	18 Å²	18	36.6 Å²	36.6	8%	0.078	18%	0.177	C	C	.	.			trans	-111.2	140.2	177.9	-63.5	-171.5	174.2	178.5	0	110.2	N67 V72 A91 W94 T112	N67-K96 WeakPolarHBondContact OD1-CD 3.35Å; N67-K96 WeakPolarHBondContact OD1-CE 3.4Å; N67-K96 PolarHBondContact OD1-NZ 3.14Å; V72-K96 WeakPolarHBondContact O-CD 3.22Å; V72-K96 WeakPolarHBondContact O-CE 3.22Å; V72-K96 PolarHBondContact O-NZ 3.15Å; A91-K96 PolarHBondContact O-N 3.36Å; W94-K96 HydrophobicContact CB-CD 4.3Å; W94-K96 HydrophobicContact CB-CG 4.09Å; W94-K96 PolarHBondContact O-N 3.27Å; K96-T112 VanDerWaalsContact O-CB 3.31Å; K96-T112 WeakPolarHBondContact O-CB 3.22Å; K96-T112 PolarHBondContact O-OG1 3.29Å
97	L	90.7	Very high	85	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.1	170.4	-177.1	76	0	0	0	108.4	L74 L75 L99 T112 I114 L299 L315 L318 W319 V322	L74-L97 HydrophobicContact CD1-CB 3.56Å; L74-L97 HydrophobicContact CD1-CD2 3.69Å; L74-L97 HydrophobicContact CD1-CG 3.76Å; L74-L97 VanDerWaalsContact CD1-O 3.31Å; L74-L97 WeakPolarHBondContact CD1-O 3.46Å; L75-L97 PolarHBondContact N-O 2.95Å; L97-L99 HydrophobicContact CD2-CD2 4.08Å; L97-L99 HydrophobicContact CG-CD2 4.27Å; L97-T112 WeakPolarHBondContact CA-O 3.4Å; L97-T112 WeakPolarHBondContact CD1-O 3.34Å; L97-I114 HydrophobicContact CD1-CD1 4.44Å; L97-I114 HydrophobicContact CD1-CG1 3.85Å; L97-L299 HydrophobicContact CD2-CD2 4.36Å; L97-L315 HydrophobicContact CB-CD1 4.06Å; L97-L318 HydrophobicContact CB-CD2 3.79Å; L97-L318 HydrophobicContact CD2-CD2 3.53Å; L97-L318 HydrophobicContact CD2-CG 3.83Å; L97-L318 HydrophobicContact CG-CD2 4.26Å; L97-W319 HydrophobicContact CD1-CE3 3.97Å; L97-W319 HydrophobicContact CD1-CZ3 4.31Å; L97-V322 HydrophobicContact CD2-CG2 4.42Å
98	Y	92.4	Very high	84.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.7	-179	175.7	-134.8	0	0	0	110.4	L75 G77 A78 T84 V87 A91 T112 T113 I114	L75-Y98 HydrophobicContact CB-CD2 3.64Å; L75-Y98 HydrophobicContact CB-CE2 4.37Å; L75-Y98 HydrophobicContact CB-CG 4.49Å; L75-Y98 CarbonylContact O-C 3.59Å; L75-Y98 WeakPolarHBondContact O-CA 3.49Å; G77-Y98 WeakPolarHBondContact O-CE2 3.44Å; G77-Y98 PolarHBondContact O-OH 2.78Å; A78-Y98 PolarHBondContact N-OH 3.3Å; T84-Y98 HydrophobicContact CG2-CE1 3.91Å; T84-Y98 WeakPolarHBondContact CG2-OH 3.49Å; V87-Y98 HydrophobicContact CB-CE1 4.13Å; V87-Y98 HydrophobicContact CB-CE2 4.47Å; V87-Y98 HydrophobicContact CG1-CD1 4.3Å; V87-Y98 HydrophobicContact CG1-CD2 4.02Å; V87-Y98 HydrophobicContact CG1-CE1 3.9Å; V87-Y98 HydrophobicContact CG1-CE2 3.56Å; V87-Y98 HydrophobicContact CG1-CG 4.37Å; A91-Y98 HydrophobicContact CB-CG 4.27Å; Y98-T112 PolarHBondContact N-O 3.21Å; Y98-T113 HydrophobicContact CD1-CG2 3.5Å; Y98-T113 VanDerWaalsContact CD1-CG2 3.5Å; Y98-T113 HydrophobicContact CE1-CG2 4.09Å; Y98-T113 HydrophobicContact CG-CG2 4.33Å; Y98-T113 CarbonylContact O-C 3.54Å; Y98-T113 WeakPolarHBondContact O-CA 3.35Å; Y98-I114 PolarHBondContact O-N 2.64Å
99	L	92.2	Very high	83.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	98.7	-180	-62.7	-171.3	0	0	0	109.9	L74 L75 I76 G77 L97 I114 L116 G295 L299	L74-L99 HydrophobicContact CD1-CD1 4.5Å; L74-L99 HydrophobicContact CD1-CG 4.2Å; L74-L99 HydrophobicContact CD2-CD1 3.94Å; L74-L99 HydrophobicContact CD2-CG 4.41Å; L75-L99 PolarHBondContact O-N 3.35Å; I76-L99 WeakPolarHBondContact CA-O 3.23Å; I76-L99 HydrophobicContact CB-CB 4.18Å; I76-L99 HydrophobicContact CD1-CB 4.31Å; I76-L99 HydrophobicContact CD1-CD1 4.21Å; I76-L99 HydrophobicContact CG1-CB 3.92Å; G77-L99 PolarHBondContact N-O 2.93Å; L97-L99 HydrophobicContact CD2-CD2 4.08Å; L97-L99 HydrophobicContact CG-CD2 4.27Å; L99-I114 HydrophobicContact CD2-CB 3.68Å; L99-I114 HydrophobicContact CD2-CG1 3.85Å; L99-I114 HydrophobicContact CD2-CG2 4.26Å; L99-L116 HydrophobicContact CB-CD1 3.95Å; L99-G295 WeakPolarHBondContact CD1-O 3.1Å; L99-L299 HydrophobicContact CD1-CD1 4.21Å
100	S	90.3	Very high	83.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.8	-176.3	177.7	0	0	0	0	112.1	T84 A102 I114 L116	T84-S100 WeakPolarHBondContact CG2-OG 3.33Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 WeakPolarHBondContact OG-CB 3.34Å; S100-A102 PolarHBondContact OG-N 3.05Å; S100-I114 PolarHBondContact N-O 3.41Å; S100-L116 WeakPolarHBondContact O-CB 2.9Å; S100-L116 WeakPolarHBondContact O-CG 3.46Å; S100-L116 PolarHBondContact O-N 2.75Å
101	S	85.1	Confident	83.5	Confident	5 Å²	5	45.9 Å²	45.9	4%	0.035	23%	0.227	C	C	.	.	S	Bend	trans	-86.3	-2.1	167.8	47.7	0	0	0	0	114	A79 L292	A79-S101 WeakPolarHBondContact CA-OG 3.36Å; S101-L292 VanDerWaalsContact CB-CD2 3.47Å
102	A	80.6	Confident	83.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	23%	0.228	C	C	.	.	S	Bend	trans	-85.7	151.2	176.1	0	0	0	0	0	111.2	D81 T84 S100 L104	D81-A102 WeakPolarHBondContact OD1-CB 3.27Å; T84-A102 HydrophobicContact CG2-CB 3.92Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 WeakPolarHBondContact OG-CB 3.34Å; S100-A102 PolarHBondContact OG-N 3.05Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 2.78Å
103	P	72.8	Confident	83.5	Confident	44 Å²	44	44.7 Å²	44.7	29%	0.286	22%	0.221	S	C	.	.			trans	-78.6	78.5	174.6	32.6	-27.4	0	0	0	109.5	K117	P103-K117 HydrophobicContact CB-CB 4.32Å; P103-K117 HydrophobicContact CB-CD 3.91Å; P103-K117 HydrophobicContact CB-CG 4.39Å; P103-K117 HydrophobicContact CG-CD 3.91Å
104	L	72.4	Confident	83.5	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.037	19%	0.187	C	C	.	.			trans	-81.3	127.9	173.2	-60.1	166.8	0	0	0	110.1	T84 Q85 A102 E108 K109 T113 A115	T84-L104 HydrophobicContact CG2-CD1 3.46Å; T84-L104 VanDerWaalsContact CG2-CD1 3.46Å; T84-L104 HydrophobicContact CG2-CD2 3.7Å; T84-L104 HydrophobicContact CG2-CG 3.76Å; Q85-L104 HydrophobicContact CG-CD2 3.83Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 2.78Å; L104-E108 HydrophobicContact CD2-CB 4.27Å; L104-K109 HydrophobicContact CB-CB 3.87Å; L104-K109 HydrophobicContact CD1-CB 3.77Å; L104-K109 HydrophobicContact CG-CB 4.45Å; L104-T113 HydrophobicContact CD1-CG2 3.65Å; L104-A115 HydrophobicContact CB-CB 4.18Å
105	S	68.5	Low	83.4	Confident	49 Å²	49	34.4 Å²	34.4	34%	0.343	18%	0.182	S	C	.	.			trans	-69.9	164.2	167.1	68.1	0	0	0	0	111.5	K107 E108 K109	S105-K107 PolarHBondContact O-N 3.21Å; S105-K107 VanDerWaalsContact O-N 3.12Å; S105-E108 VanDerWaalsContact CB-OE2 3.31Å; S105-E108 WeakPolarHBondContact CB-OE2 3.43Å; S105-E108 PolarHBondContact N-OE2 2.99Å; S105-E108 PolarHBondContact O-N 2.94Å; S105-E108 VanDerWaalsContact OG-CG 3.23Å; S105-E108 WeakPolarHBondContact OG-CG 3.46Å; S105-E108 PolarHBondContact OG-N 3.35Å; S105-E108 PolarHBondContact OG-OE2 2.97Å; S105-K109 PolarHBondContact O-N 3.18Å; S105-K109 VanDerWaalsContact O-N 3.11Å
106	T	65	Low	83.4	Confident	80 Å²	80	30.7 Å²	30.7	49%	0.491	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.9	173.8	48.7	0	0	0	0	113.5	D339 V341	T106-D339 HydrophobicContact CG2-CB 3.85Å; T106-D339 WeakPolarHBondContact CG2-OD2 3.48Å; T106-V341 HydrophobicContact CG2-CG2 3.92Å
107	K	69.9	Low	83.3	Confident	197 Å²	197	31.5 Å²	31.5	86%	0.857	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-20.6	176.1	-67.1	-177.1	179.2	174.8	0	113.3	S105	S105-K107 PolarHBondContact O-N 3.21Å; S105-K107 VanDerWaalsContact O-N 3.12Å
108	E	74.4	Confident	82.8	Confident	78 Å²	78	31.5 Å²	31.5	36%	0.364	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-19.7	-173.6	-69.6	165	145.2	0	0	113.2	Q85 L104 S105	Q85-E108 HydrophobicContact CG-CB 4.44Å; L104-E108 HydrophobicContact CD2-CB 4.27Å; S105-E108 VanDerWaalsContact CB-OE2 3.31Å; S105-E108 WeakPolarHBondContact CB-OE2 3.43Å; S105-E108 PolarHBondContact N-OE2 2.99Å; S105-E108 PolarHBondContact O-N 2.94Å; S105-E108 VanDerWaalsContact OG-CG 3.23Å; S105-E108 WeakPolarHBondContact OG-CG 3.46Å; S105-E108 PolarHBondContact OG-N 3.35Å; S105-E108 PolarHBondContact OG-OE2 2.97Å
109	K	83	Confident	82	Confident	18 Å²	18	33.7 Å²	33.7	8%	0.078	18%	0.179	C	C	.	.	S	Bend	trans	-101.3	152.7	176.8	79	-178.1	-164.3	69.1	0	111.9	L104 S105 T113 A115 D339 V341	L104-K109 HydrophobicContact CB-CB 3.87Å; L104-K109 HydrophobicContact CD1-CB 3.77Å; L104-K109 HydrophobicContact CG-CB 4.45Å; S105-K109 PolarHBondContact O-N 3.18Å; S105-K109 VanDerWaalsContact O-N 3.11Å; K109-T113 HydrophobicContact CB-CG2 4Å; K109-T113 PolarHBondContact NZ-O 2.69Å; K109-A115 HydrophobicContact CD-CB 4.36Å; K109-D339 WeakPolarHBondContact CE-O 3.48Å; K109-D339 PolarHBondContact NZ-O 2.92Å; K109-V341 HydrophobicContact CD-CG2 4.13Å
110	E	88.6	Confident	81.1	Confident	61 Å²	61	34.8 Å²	34.8	29%	0.285	19%	0.186	S	C	.	.			trans	-86.1	169.9	170	-61.7	-59	161.7	0	0	112.6	S88 R89 L92 T112 T113	S88-E110 PolarHBondContact OG-N 2.96Å; R89-E110 HydrophobicContact CB-CG 4.48Å; R89-E110 HydrophobicContact CG-CG 3.97Å; R89-E110 WeakPolarHBondContact CG-OE1 3.44Å; R89-E110 IonicContact NE-OE1 2.86Å; L92-E110 HydrophobicContact CB-CB 3.87Å; L92-E110 HydrophobicContact CB-CG 4.11Å; L92-E110 HydrophobicContact CD2-CB 3.98Å; L92-E110 HydrophobicContact CD2-CG 3.95Å; L92-E110 VanDerWaalsContact CD2-OE2 3.31Å; L92-E110 WeakPolarHBondContact CD2-OE2 3.44Å; L92-E110 HydrophobicContact CG-CB 4.39Å; E110-T112 PolarHBondContact O-N 2.97Å; E110-T112 VanDerWaalsContact O-N 3.14Å; E110-T113 WeakPolarHBondContact O-CB 3.3Å; E110-T113 PolarHBondContact O-N 3.24Å; E110-T113 VanDerWaalsContact O-N 3.09Å
111	S	86.1	Confident	80.6	Confident	79 Å²	79	38.5 Å²	38.5	55%	0.552	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.3	-176.5	59	0	0	0	0	115.4	L92 W319	L92-S111 WeakPolarHBondContact CD1-OG 3.36Å; S111-W319 VanDerWaalsContact O-CH2 3.26Å; S111-W319 WeakPolarHBondContact O-CH2 3.37Å; S111-W319 WeakPolarHBondContact O-CZ3 3.46Å
112	T	89.3	Confident	80.3	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.031	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	8.5	174.3	68	0	0	0	0	113	L92 K96 L97 Y98 E110 L315	L92-T112 WeakPolarHBondContact CA-OG1 3.4Å; L92-T112 HydrophobicContact CB-CG2 4.48Å; L92-T112 HydrophobicContact CD1-CG2 3.72Å; L92-T112 PolarHBondContact N-OG1 3.22Å; K96-T112 VanDerWaalsContact O-CB 3.31Å; K96-T112 WeakPolarHBondContact O-CB 3.22Å; K96-T112 PolarHBondContact O-OG1 3.29Å; L97-T112 WeakPolarHBondContact CA-O 3.4Å; L97-T112 WeakPolarHBondContact CD1-O 3.34Å; Y98-T112 PolarHBondContact N-O 3.21Å; E110-T112 PolarHBondContact O-N 2.97Å; E110-T112 VanDerWaalsContact O-N 3.14Å; T112-L315 HydrophobicContact CG2-CD1 4.45Å; T112-L315 HydrophobicContact CG2-CD2 3.65Å
113	T	91.8	Very high	80.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.8	-175.8	-58.1	0	0	0	0	111.3	S88 Y98 L104 K109 E110	S88-T113 WeakPolarHBondContact CB-OG1 3.45Å; S88-T113 WeakPolarHBondContact OG-CB 3.31Å; S88-T113 PolarHBondContact OG-OG1 3.04Å; Y98-T113 HydrophobicContact CD1-CG2 3.5Å; Y98-T113 VanDerWaalsContact CD1-CG2 3.5Å; Y98-T113 HydrophobicContact CE1-CG2 4.09Å; Y98-T113 HydrophobicContact CG-CG2 4.33Å; Y98-T113 CarbonylContact O-C 3.54Å; Y98-T113 WeakPolarHBondContact O-CA 3.35Å; L104-T113 HydrophobicContact CD1-CG2 3.65Å; K109-T113 HydrophobicContact CB-CG2 4Å; K109-T113 PolarHBondContact NZ-O 2.69Å; E110-T113 WeakPolarHBondContact O-CB 3.3Å; E110-T113 PolarHBondContact O-N 3.24Å; E110-T113 VanDerWaalsContact O-N 3.09Å
114	I	91	Very high	81	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.3	170.2	-55.8	-62	0	0	0	108.4	L97 Y98 L99 S100 L116 W319 V322 T323 I336 G340	L97-I114 HydrophobicContact CD1-CD1 4.44Å; L97-I114 HydrophobicContact CD1-CG1 3.85Å; Y98-I114 PolarHBondContact O-N 2.64Å; L99-I114 HydrophobicContact CD2-CB 3.68Å; L99-I114 HydrophobicContact CD2-CG1 3.85Å; L99-I114 HydrophobicContact CD2-CG2 4.26Å; S100-I114 PolarHBondContact N-O 3.41Å; I114-L116 HydrophobicContact CG2-CD2 3.81Å; I114-L116 HydrophobicContact CG2-CG 4.38Å; I114-W319 HydrophobicContact CD1-CE3 3.95Å; I114-W319 HydrophobicContact CD1-CH2 3.76Å; I114-W319 HydrophobicContact CD1-CZ2 4.49Å; I114-W319 HydrophobicContact CD1-CZ3 3.43Å; I114-W319 VanDerWaalsContact CD1-CZ3 3.43Å; I114-W319 HydrophobicContact CG1-CZ3 4.28Å; I114-V322 HydrophobicContact CD1-CG1 4.24Å; I114-V322 HydrophobicContact CG1-CG1 4.12Å; I114-T323 HydrophobicContact CD1-CG2 4.05Å; I114-I336 HydrophobicContact CD1-CG2 4.11Å; I114-I336 HydrophobicContact CG2-CD1 4.01Å; I114-I336 HydrophobicContact CG2-CG1 4.33Å; I114-I336 HydrophobicContact CG2-CG2 4.05Å; I114-G340 CarbonylContact C-O 3.39Å; I114-G340 VanDerWaalsContact CA-O 3.23Å; I114-G340 WeakPolarHBondContact CA-O 3.36Å
115	A	89.7	Confident	81.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.7	174.7	0	0	0	0	0	109	L104 K109 G340 V341 R342	L104-A115 HydrophobicContact CB-CB 4.18Å; K109-A115 HydrophobicContact CD-CB 4.36Å; A115-G340 PolarHBondContact N-O 3.12Å; A115-V341 HydrophobicContact CB-CG2 4.49Å; A115-R342 WeakPolarHBondContact O-CB 3.33Å; A115-R342 PolarHBondContact O-N 3.5Å
116	L	89.8	Confident	82.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.			trans	-86.3	-13.1	-171.4	-63.4	170.5	0	0	0	114.1	L99 S100 I114 P118 I291 L292 L298 I336 R342	L99-L116 HydrophobicContact CB-CD1 3.95Å; S100-L116 WeakPolarHBondContact O-CB 2.9Å; S100-L116 WeakPolarHBondContact O-CG 3.46Å; S100-L116 PolarHBondContact O-N 2.75Å; I114-L116 HydrophobicContact CG2-CD2 3.81Å; I114-L116 HydrophobicContact CG2-CG 4.38Å; L116-P118 WeakPolarHBondContact O-CD 3.44Å; L116-I291 HydrophobicContact CB-CG2 3.44Å; L116-I291 VanDerWaalsContact CB-CG2 3.44Å; L116-I291 WeakPolarHBondContact O-CG2 3.38Å; L116-L292 HydrophobicContact CD1-CD2 4.28Å; L116-L298 HydrophobicContact CD2-CD1 3.91Å; L116-I336 HydrophobicContact CD2-CD1 4.41Å; L116-R342 WeakPolarHBondContact O-CD 3.05Å; L116-R342 PolarHBondContact O-NH1 3Å
117	K	86.3	Confident	83.8	Confident	36 Å²	36	35.7 Å²	35.7	16%	0.157	19%	0.188	C	C	.	.	S	Bend	trans	-76.5	122	-179.2	-167.8	168.7	177.5	-175.3	0	109.3	P103 H119 Y284 I291	P103-K117 HydrophobicContact CB-CB 4.32Å; P103-K117 HydrophobicContact CB-CD 3.91Å; P103-K117 HydrophobicContact CB-CG 4.39Å; P103-K117 HydrophobicContact CG-CD 3.91Å; K117-H119 HydrophobicContact CG-CB 4.45Å; K117-H119 PolarHBondContact O-N 3.34Å; K117-Y284 PolarHBondContact NZ-OH 3.03Å; K117-I291 HydrophobicContact CG-CD1 4.33Å
118	P	79.7	Confident	84.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-78.7	46	-176.1	33.4	-35.2	0	0	0	112	L116 N263 H265 R342 P344	L116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-N263 PolarHBondContact O-ND2 3Å; P118-H265 HydrophobicContact CB-CB 4.33Å; P118-H265 VanDerWaalsContact CB-CD2 3.44Å; P118-H265 WeakPolarHBondContact CB-CD2 3.33Å; P118-H265 HydrophobicContact CG-CB 3.52Å; P118-R342 HydrophobicContact CB-CG 4.18Å; P118-P344 WeakPolarHBondContact O-CB 3.46Å
119	H	74.6	Confident	85.5	Confident	47 Å²	47	22.9 Å²	22.9	22%	0.218	13%	0.131	C	C	.	.			trans	-132.7	94.9	177.2	-69	-65.3	0	0	0	108.9	K117 K225 N263 D266	K117-H119 HydrophobicContact CG-CB 4.45Å; K117-H119 PolarHBondContact O-N 3.34Å; H119-K225 PolarHBondContact NE2-NZ 3.24Å; H119-N263 PolarHBondContact ND1-ND2 2.94Å; H119-D266 IonicContact CE1-OD1 3.46Å; H119-D266 PolarHBondContact CE1-OD1 2.8Å; H119-D266 IonicContact CE1-OD2 3.93Å; H119-D266 PolarHBondContact CE1-OD2 2.81Å; H119-D266 IonicContact NE2-OD1 3.65Å; H119-D266 PolarHBondContact NE2-OD1 3.24Å; H119-D266 VanDerWaalsContact NE2-OD1 3.15Å
120	S	74.4	Confident	85.8	Confident	22 Å²	22	22.8 Å²	22.8	15%	0.154	13%	0.134	C	C	.	.			trans	-122	134.2	167.8	67.4	0	0	0	0	109	A122 G123 T124	S120-A122 PolarHBondContact O-N 2.89Å; S120-G123 PolarHBondContact O-N 3.3Å; S120-G123 WeakPolarHBondContact OG-CA 3.39Å; S120-G123 PolarHBondContact OG-N 3.02Å; S120-T124 PolarHBondContact O-N 2.9Å; S120-T124 PolarHBondContact O-OG1 2.84Å
121	L	80.6	Confident	85.9	Confident	78 Å²	78	19.9 Å²	19.9	41%	0.408	12%	0.12	S	C	.	.	H	α-helix	trans	-60.2	-36.7	173.4	-64.4	170.7	0	0	0	109.9	T124 A125 T151 A154 M158	L121-T124 PolarHBondContact O-N 3.43Å; L121-A125 PolarHBondContact O-N 3.02Å; L121-T151 HydrophobicContact CD2-CG2 3.55Å; L121-A154 HydrophobicContact CD1-CB 3.77Å; L121-M158 VanDerWaalsContact C-CE 3.45Å; L121-M158 HydrophobicContact CB-CE 3.65Å
122	A	78.6	Confident	86.1	Confident	50 Å²	50	16.2 Å²	16.2	41%	0.413	9%	0.094	S	C	.	.	H	α-helix	trans	-61.7	-46.7	174.7	0	0	0	0	0	113	S120 T124 A125 E126 M158	S120-A122 PolarHBondContact O-N 2.89Å; A122-T124 VanDerWaalsContact C-N 3.27Å; A122-T124 PolarHBondContact O-N 3Å; A122-A125 PolarHBondContact O-N 3.15Å; A122-E126 WeakPolarHBondContact O-CG 3.45Å; A122-E126 PolarHBondContact O-N 2.91Å; A122-M158 WeakPolarHBondContact CA-SD 3.47Å; A122-M158 HydrophobicContact CB-SD 3.7Å
123	G	81.8	Confident	85.9	Confident	4 Å²	4	20.9 Å²	20.9	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-36.5	176.1	0	0	0	0	0	112	S120 E126 V127	S120-G123 PolarHBondContact O-N 3.3Å; S120-G123 WeakPolarHBondContact OG-CA 3.39Å; S120-G123 PolarHBondContact OG-N 3.02Å; G123-E126 PolarHBondContact O-N 2.92Å; G123-V127 WeakPolarHBondContact O-CB 3.1Å; G123-V127 WeakPolarHBondContact O-CG2 3.46Å; G123-V127 PolarHBondContact O-N 2.88Å
124	T	86.6	Confident	85.6	Confident	14 Å²	14	23.6 Å²	23.6	9%	0.086	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-41.3	176.1	-51.3	0	0	0	0	111.8	S120 L121 A122 V127 I128 I155 V221 Y346	S120-T124 PolarHBondContact O-N 2.9Å; S120-T124 PolarHBondContact O-OG1 2.84Å; L121-T124 PolarHBondContact O-N 3.43Å; A122-T124 VanDerWaalsContact C-N 3.27Å; A122-T124 PolarHBondContact O-N 3Å; T124-V127 PolarHBondContact O-N 2.86Å; T124-I128 HydrophobicContact CG2-CD1 4.2Å; T124-I128 WeakPolarHBondContact O-CD1 3.13Å; T124-I128 VanDerWaalsContact O-CG1 3.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.23Å; T124-I128 PolarHBondContact O-N 2.84Å; T124-I155 HydrophobicContact CG2-CD1 3.75Å; T124-V221 HydrophobicContact CG2-CG1 4.24Å; T124-Y346 WeakPolarHBondContact CG2-OH 3.33Å; T124-Y346 PolarHBondContact OG1-OH 3.39Å
125	A	87.4	Confident	85.4	Confident	4 Å²	4	25.4 Å²	25.4	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-46	174.4	0	0	0	0	0	111.9	L121 A122 V127 I128 L129 I155 M158 L159	L121-A125 PolarHBondContact O-N 3.02Å; A122-A125 PolarHBondContact O-N 3.15Å; A125-V127 VanDerWaalsContact C-N 3.34Å; A125-V127 PolarHBondContact O-N 3.48Å; A125-I128 PolarHBondContact O-N 2.48Å; A125-L129 PolarHBondContact O-N 3.39Å; A125-I155 HydrophobicContact CB-CG2 4.13Å; A125-M158 HydrophobicContact CB-CB 3.82Å; A125-M158 HydrophobicContact CB-CE 4.41Å; A125-M158 HydrophobicContact CB-SD 4.5Å; A125-L159 HydrophobicContact CB-CD2 4.38Å; A125-L159 HydrophobicContact CB-CG 4.32Å; A125-L159 WeakPolarHBondContact O-CD2 3.45Å
126	E	86.3	Confident	85.1	Confident	55 Å²	55	33.7 Å²	33.7	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-65.5	-35.2	178.1	-69.2	-73.1	175.6	0	0	112.6	A122 G123 L129 A130 Y379	A122-E126 WeakPolarHBondContact O-CG 3.45Å; A122-E126 PolarHBondContact O-N 2.91Å; G123-E126 PolarHBondContact O-N 2.92Å; E126-L129 PolarHBondContact O-N 3.27Å; E126-A130 WeakPolarHBondContact O-CB 3.31Å; E126-A130 PolarHBondContact O-N 2.92Å; E126-Y379 HydrophobicContact CB-CD2 3.49Å; E126-Y379 VanDerWaalsContact CB-CD2 3.49Å; E126-Y379 HydrophobicContact CB-CE2 3.62Å
127	V	89.9	Confident	85	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-46.4	172.1	162.5	0	0	0	0	111	G123 T124 A125 L129 A130 M131 L261 Y346 V362 Y379	G123-V127 WeakPolarHBondContact O-CB 3.1Å; G123-V127 WeakPolarHBondContact O-CG2 3.46Å; G123-V127 PolarHBondContact O-N 2.88Å; T124-V127 PolarHBondContact O-N 2.86Å; A125-V127 VanDerWaalsContact C-N 3.34Å; A125-V127 PolarHBondContact O-N 3.48Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 2.83Å; V127-A130 PolarHBondContact O-N 3.42Å; V127-M131 WeakPolarHBondContact O-CB 3.34Å; V127-M131 PolarHBondContact O-N 3.06Å; V127-L261 HydrophobicContact CG1-CD2 4.01Å; V127-Y346 HydrophobicContact CB-CD2 4.14Å; V127-Y346 HydrophobicContact CB-CE2 4.35Å; V127-Y346 HydrophobicContact CG1-CD1 4.41Å; V127-Y346 HydrophobicContact CG1-CD2 3.76Å; V127-Y346 HydrophobicContact CG1-CE2 4.26Å; V127-Y346 HydrophobicContact CG1-CG 3.83Å; V127-Y346 HydrophobicContact CG2-CD2 3.59Å; V127-Y346 HydrophobicContact CG2-CE2 3.95Å; V127-Y346 HydrophobicContact CG2-CG 4.43Å; V127-V362 HydrophobicContact CB-CG1 4.35Å; V127-V362 HydrophobicContact CG1-CB 4.05Å; V127-V362 HydrophobicContact CG1-CG1 3.95Å; V127-V362 HydrophobicContact CG1-CG2 4.22Å; V127-V362 HydrophobicContact CG2-CG1 4.2Å; V127-Y379 HydrophobicContact CG2-CD1 3.41Å; V127-Y379 VanDerWaalsContact CG2-CD1 3.41Å; V127-Y379 HydrophobicContact CG2-CD2 4.29Å; V127-Y379 HydrophobicContact CG2-CE1 3.38Å; V127-Y379 HydrophobicContact CG2-CE2 4.26Å; V127-Y379 HydrophobicContact CG2-CG 3.86Å
128	I	91.4	Very high	84.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-43.3	177	-68.7	162.2	0	0	0	109.9	T124 A125 M131 C132 I155 L159 I191 F193 V221	T124-I128 HydrophobicContact CG2-CD1 4.2Å; T124-I128 WeakPolarHBondContact O-CD1 3.13Å; T124-I128 VanDerWaalsContact O-CG1 3.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.23Å; T124-I128 PolarHBondContact O-N 2.84Å; A125-I128 PolarHBondContact O-N 2.48Å; I128-M131 WeakPolarHBondContact O-CB 3.48Å; I128-M131 PolarHBondContact O-N 3.18Å; I128-C132 WeakPolarHBondContact O-CB 3.32Å; I128-C132 PolarHBondContact O-N 2.96Å; I128-C132 PolarHBondContact O-SG 3.24Å; I128-I155 HydrophobicContact CD1-CG2 3.94Å; I128-L159 HydrophobicContact CG2-CD1 4.03Å; I128-I191 HydrophobicContact CD1-CG2 4.16Å; I128-I191 HydrophobicContact CG2-CD1 4.23Å; I128-I191 HydrophobicContact CG2-CG1 4.13Å; I128-F193 HydrophobicContact CD1-CZ 3.77Å; I128-V221 HydrophobicContact CD1-CG2 4.34Å
129	L	88.9	Confident	85.1	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-46	178	-174.7	64.6	0	0	0	112	A125 E126 V127 M131 C132 K133 L159 Q162 D165 L166	A125-L129 PolarHBondContact O-N 3.39Å; E126-L129 PolarHBondContact O-N 3.27Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 2.83Å; L129-M131 VanDerWaalsContact C-N 3.33Å; L129-M131 PolarHBondContact O-N 3.32Å; L129-C132 PolarHBondContact O-N 3.31Å; L129-K133 HydrophobicContact CG-CD 4.29Å; L129-K133 WeakPolarHBondContact O-CB 3.39Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 2.96Å; L129-L159 HydrophobicContact CB-CD2 4.01Å; L129-Q162 HydrophobicContact CD1-CB 4.43Å; L129-Q162 HydrophobicContact CD2-CB 4.29Å; L129-Q162 HydrophobicContact CD2-CG 3.9Å; L129-D165 HydrophobicContact CD1-CB 4.44Å; L129-L166 HydrophobicContact CD1-CB 3.96Å; L129-L166 HydrophobicContact CD1-CD2 4.05Å
130	A	88.4	Confident	85.8	Confident	16 Å²	16	40 Å²	40	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-40.7	177.7	0	0	0	0	0	112.1	E126 V127 S134 V362 Y379	E126-A130 WeakPolarHBondContact O-CB 3.31Å; E126-A130 PolarHBondContact O-N 2.92Å; V127-A130 PolarHBondContact O-N 3.42Å; A130-S134 WeakPolarHBondContact O-CB 3.46Å; A130-S134 PolarHBondContact O-N 3.38Å; A130-V362 HydrophobicContact CB-CG1 4.49Å; A130-Y379 WeakPolarHBondContact CB-O 3.21Å
131	M	90.7	Very high	86.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-52.7	172.3	177.3	-168.7	73.1	0	0	111.1	V127 I128 L129 K133 S134 M135 W137 I191 V219 L261 M348 F381	V127-M131 WeakPolarHBondContact O-CB 3.34Å; V127-M131 PolarHBondContact O-N 3.06Å; I128-M131 WeakPolarHBondContact O-CB 3.48Å; I128-M131 PolarHBondContact O-N 3.18Å; L129-M131 VanDerWaalsContact C-N 3.33Å; L129-M131 PolarHBondContact O-N 3.32Å; M131-K133 VanDerWaalsContact C-N 3.31Å; M131-K133 PolarHBondContact O-N 3.35Å; M131-S134 PolarHBondContact O-N 3.48Å; M131-S134 VanDerWaalsContact O-N 3.14Å; M131-M135 HydrophobicContact CG-CG 4.19Å; M131-M135 WeakPolarHBondContact O-CB 3.39Å; M131-M135 VanDerWaalsContact O-CG 3.27Å; M131-M135 WeakPolarHBondContact O-CG 3.49Å; M131-M135 PolarHBondContact O-N 2.66Å; M131-W137 HydrophobicContact CE-CZ3 4.28Å; M131-I191 HydrophobicContact CE-CD1 3.55Å; M131-V219 HydrophobicContact CE-CB 4.16Å; M131-V219 HydrophobicContact CE-CG1 4.04Å; M131-V219 HydrophobicContact CE-CG2 3.91Å; M131-V219 HydrophobicContact SD-CB 4.34Å; M131-V219 HydrophobicContact SD-CG1 3.8Å; M131-V219 HydrophobicContact SD-CG2 3.9Å; M131-L261 HydrophobicContact SD-CD2 4.44Å; M131-M348 HydrophobicContact SD-SD 4.26Å; M131-F381 HydrophobicContact CB-CD2 3.66Å; M131-F381 HydrophobicContact CB-CE2 3.92Å; M131-F381 HydrophobicContact CB-CG 4.48Å; M131-F381 HydrophobicContact CG-CD2 3.89Å; M131-F381 HydrophobicContact CG-CE2 3.62Å; M131-F381 HydrophobicContact CG-CZ 4.26Å
132	C	90.1	Very high	87.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-41.9	-179.6	-71.8	0	0	0	0	112	I128 L129 M135 K136 W137 L166	I128-C132 WeakPolarHBondContact O-CB 3.32Å; I128-C132 PolarHBondContact O-N 2.96Å; I128-C132 PolarHBondContact O-SG 3.24Å; L129-C132 PolarHBondContact O-N 3.31Å; C132-M135 CarbonylContact O-C 3.53Å; C132-M135 PolarHBondContact O-N 3.36Å; C132-K136 PolarHBondContact O-N 3.22Å; C132-W137 HydrophobicContact CB-CB 4.34Å; C132-W137 PolarHBondContact O-N 2.82Å; C132-L166 HydrophobicContact CB-CD1 3.94Å; C132-L166 HydrophobicContact CB-CD2 4.2Å
133	K	85.8	Confident	87.7	Confident	103 Å²	103	32.8 Å²	32.8	45%	0.448	16%	0.159	S	C	.	.	H	α-helix	trans	-61.1	-46	174.9	-76.1	178.4	175.7	179.6	0	112	L129 M131 K136 D165	L129-K133 HydrophobicContact CG-CD 4.29Å; L129-K133 WeakPolarHBondContact O-CB 3.39Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 2.96Å; M131-K133 VanDerWaalsContact C-N 3.31Å; M131-K133 PolarHBondContact O-N 3.35Å; K133-K136 PolarHBondContact O-N 2.93Å; K133-K136 VanDerWaalsContact O-N 3.16Å; K133-D165 VanDerWaalsContact CE-CG 3.41Å; K133-D165 WeakPolarHBondContact CE-OD2 3.38Å; K133-D165 IonicContact NZ-OD1 3.36Å; K133-D165 IonicContact NZ-OD2 3.28Å; K133-D165 PolarHBondContact NZ-OD2 3.43Å
134	S	86.5	Confident	88.3	Confident	58 Å²	58	33.3 Å²	33.3	41%	0.406	16%	0.16	S	C	.	.	H	α-helix	trans	-65.9	-40.1	178.6	-166.1	0	0	0	0	112.3	A130 M131 K136 F381	A130-S134 WeakPolarHBondContact O-CB 3.46Å; A130-S134 PolarHBondContact O-N 3.38Å; M131-S134 PolarHBondContact O-N 3.48Å; M131-S134 VanDerWaalsContact O-N 3.14Å; S134-K136 PolarHBondContact O-N 2.86Å; S134-F381 WeakPolarHBondContact OG-CD1 3.29Å
135	M	85.6	Confident	88.5	Confident	38 Å²	38	32.7 Å²	32.7	19%	0.187	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.2	175	-62.9	-59.4	-73.2	0	0	113.6	M131 C132 W137 L388 L391	M131-M135 HydrophobicContact CG-CG 4.19Å; M131-M135 WeakPolarHBondContact O-CB 3.39Å; M131-M135 VanDerWaalsContact O-CG 3.27Å; M131-M135 WeakPolarHBondContact O-CG 3.49Å; M131-M135 PolarHBondContact O-N 2.66Å; C132-M135 CarbonylContact O-C 3.53Å; C132-M135 PolarHBondContact O-N 3.36Å; M135-W137 HydrophobicContact CB-CD2 3.93Å; M135-W137 HydrophobicContact CB-CG 3.98Å; M135-W137 HydrophobicContact CB-CZ2 4.39Å; M135-W137 HydrophobicContact CE-CZ2 3.99Å; M135-W137 PolarHBondContact O-N 2.86Å; M135-L388 HydrophobicContact CE-CD2 4.18Å; M135-L388 HydrophobicContact CE-CG 4.46Å; M135-L388 HydrophobicContact SD-CD2 3.46Å; M135-L388 WeakPolarHBondContact SD-CD2 3.32Å; M135-L388 HydrophobicContact SD-CG 4.34Å; M135-L391 HydrophobicContact CE-CB 4.17Å; M135-L391 HydrophobicContact CE-CD1 3.95Å
136	K	84	Confident	88.6	Confident	175 Å²	175	39.9 Å²	39.9	76%	0.761	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	32.2	-175	-53.9	176.3	-177.5	172.7	0	113.6	C132 K133 S134	C132-K136 PolarHBondContact O-N 3.22Å; K133-K136 PolarHBondContact O-N 2.93Å; K133-K136 VanDerWaalsContact O-N 3.16Å; S134-K136 PolarHBondContact O-N 2.86Å
137	W	87.1	Confident	88.6	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.019	21%	0.21	C	C	.	.			trans	-85.3	115.4	175.2	-64.8	-4.8	0	0	0	109.4	M131 C132 M135 I140 L166 A189 V219	M131-W137 HydrophobicContact CE-CZ3 4.28Å; C132-W137 HydrophobicContact CB-CB 4.34Å; C132-W137 PolarHBondContact O-N 2.82Å; M135-W137 HydrophobicContact CB-CD2 3.93Å; M135-W137 HydrophobicContact CB-CG 3.98Å; M135-W137 HydrophobicContact CB-CZ2 4.39Å; M135-W137 HydrophobicContact CE-CZ2 3.99Å; M135-W137 PolarHBondContact O-N 2.86Å; W137-I140 HydrophobicContact CB-CG2 4.21Å; W137-I140 HydrophobicContact CE3-CG2 4.26Å; W137-L166 VanDerWaalsContact O-CD1 3.3Å; W137-L166 WeakPolarHBondContact O-CD1 3.44Å; W137-A189 HydrophobicContact CD2-CB 3.67Å; W137-A189 HydrophobicContact CE3-CB 3.57Å; W137-A189 HydrophobicContact CG-CB 4.19Å; W137-A189 HydrophobicContact CH2-CB 4.37Å; W137-A189 HydrophobicContact CZ2-CB 4.45Å; W137-A189 HydrophobicContact CZ3-CB 3.94Å; W137-V219 HydrophobicContact CH2-CG2 3.78Å; W137-V219 HydrophobicContact CZ3-CG2 3.81Å
138	K	82.9	Confident	88.6	Confident	152 Å²	152	44.7 Å²	44.7	66%	0.661	21%	0.212	S	C	*	.			trans	-96.7	-24.9	179.1	-66.4	-169.9	175.3	-169.5	0	113.3	K167 Y394	K138-K167 PolarHBondContact O-N 2.8Å; K138-Y394 HydrophobicContact CB-CE1 4.45Å
139	E	85.4	Confident	88.5	Confident	57 Å²	57	48 Å²	48	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.5	176	-57.5	168.2	-138.5	0	0	109.6	K167 N169 Y394	E139-K167 CarbonylContact C-O 3.57Å; E139-K167 VanDerWaalsContact CA-O 3.22Å; E139-K167 WeakPolarHBondContact CA-O 3.44Å; E139-K167 HydrophobicContact CG-CB 4.09Å; E139-K167 HydrophobicContact CG-CD 4.24Å; E139-K167 HydrophobicContact CG-CG 4.49Å; E139-N169 PolarHBondContact OE2-ND2 3Å; E139-Y394 HydrophobicContact CB-CD2 4.4Å; E139-Y394 HydrophobicContact CB-CE1 4.34Å; E139-Y394 HydrophobicContact CB-CE2 3.56Å; E139-Y394 WeakPolarHBondContact CB-OH 3.45Å; E139-Y394 HydrophobicContact CG-CE1 4.39Å; E139-Y394 HydrophobicContact CG-CE2 4.37Å; E139-Y394 WeakPolarHBondContact CG-OH 3.38Å; E139-Y394 VanDerWaalsContact O-CD2 3.27Å; E139-Y394 WeakPolarHBondContact O-CD2 3.35Å; E139-Y394 WeakPolarHBondContact O-CE2 3.45Å; E139-Y394 PolarHBondContact OE1-OH 2.63Å; E139-Y394 PolarHBondContact OE2-OH 3.02Å
140	I	89.4	Confident	88.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162	179.7	60.7	160.7	0	0	0	111.1	W137 I142 L166 K167 I168 N169 A189 I191	W137-I140 HydrophobicContact CB-CG2 4.21Å; W137-I140 HydrophobicContact CE3-CG2 4.26Å; I140-I142 HydrophobicContact CD1-CG1 4.26Å; I140-L166 HydrophobicContact CD1-CD1 4.41Å; I140-L166 HydrophobicContact CD1-CD2 3.76Å; I140-L166 HydrophobicContact CD1-CG 4.28Å; I140-L166 HydrophobicContact CG1-CD1 4.02Å; I140-L166 HydrophobicContact CG1-CD2 4.16Å; I140-L166 HydrophobicContact CG1-CG 4.12Å; I140-L166 HydrophobicContact CG2-CD1 3.96Å; I140-K167 PolarHBondContact N-O 2.81Å; I140-I168 HydrophobicContact CG1-CG1 4.3Å; I140-I168 CarbonylContact O-C 3.58Å; I140-I168 WeakPolarHBondContact O-CA 3.5Å; I140-N169 PolarHBondContact O-N 2.84Å; I140-A189 CarbonylContact C-O 3.57Å; I140-A189 WeakPolarHBondContact CA-O 3.34Å; I140-A189 HydrophobicContact CG2-CB 4.03Å; I140-I191 HydrophobicContact CD1-CG1 3.81Å
141	G	89.8	Confident	88.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.9	164.1	0	0	0	0	0	110.6	V170 A187 A189 L190 I191	G141-V170 CarbonylContact C-O 3.56Å; G141-V170 WeakPolarHBondContact CA-O 3.43Å; G141-A187 VanDerWaalsContact CA-CB 3.48Å; G141-A189 PolarHBondContact N-O 3.14Å; G141-L190 CarbonylContact O-C 3.54Å; G141-L190 VanDerWaalsContact O-CA 3.31Å; G141-L190 WeakPolarHBondContact O-CA 3.37Å; G141-I191 PolarHBondContact O-N 2.76Å
142	I	92.8	Very high	88.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.5	174	-60.9	177	0	0	0	107.7	I140 L159 I168 V170 F171 L172 I191 F193	I140-I142 HydrophobicContact CD1-CG1 4.26Å; I142-L159 HydrophobicContact CD1-CD1 4.08Å; I142-I168 HydrophobicContact CD1-CD1 3.96Å; I142-I168 HydrophobicContact CD1-CG2 4.27Å; I142-I168 HydrophobicContact CG1-CG2 4.29Å; I142-V170 PolarHBondContact N-O 2.94Å; I142-F171 HydrophobicContact CB-CD2 3.85Å; I142-F171 HydrophobicContact CB-CE2 4.43Å; I142-F171 HydrophobicContact CD1-CD2 4.48Å; I142-F171 HydrophobicContact CG2-CD2 3.84Å; I142-F171 HydrophobicContact CG2-CE2 3.91Å; I142-F171 WeakPolarHBondContact O-CA 3.32Å; I142-L172 PolarHBondContact O-N 2.84Å; I142-L172 VanDerWaalsContact O-N 3.09Å; I142-I191 WeakPolarHBondContact CA-O 3.44Å; I142-I191 HydrophobicContact CG1-CB 4.28Å; I142-F193 HydrophobicContact CG2-CD2 3.84Å; I142-F193 HydrophobicContact CG2-CE2 3.9Å
143	I	91.9	Very high	88.5	Confident	0 Å²	0	62 Å²	62	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.6	175.9	61.5	179.9	0	0	0	109.5	L172 T174 I183 I191 F193 L194 F202	I143-L172 WeakPolarHBondContact CA-O 3.5Å; I143-T174 HydrophobicContact CB-CG2 4.24Å; I143-I183 HydrophobicContact CG2-CD1 3.82Å; I143-I183 HydrophobicContact CG2-CG1 4.07Å; I143-I183 HydrophobicContact CG2-CG2 3.83Å; I143-I191 PolarHBondContact N-O 2.66Å; I143-F193 PolarHBondContact O-N 3.41Å; I143-L194 HydrophobicContact CD1-CD1 3.8Å; I143-L194 HydrophobicContact CD1-CG 4.36Å; I143-L194 HydrophobicContact CG1-CD1 4.22Å; I143-L194 HydrophobicContact CG1-CG 4.24Å; I143-F202 HydrophobicContact CD1-CD1 4.31Å; I143-F202 HydrophobicContact CD1-CE1 3.97Å; I143-F202 HydrophobicContact CD1-CE2 4.39Å; I143-F202 HydrophobicContact CD1-CZ 4.02Å
144	Y	93.6	Very high	88.6	Confident	14 Å²	14	58.3 Å²	58.3	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.4	-175.8	62.3	-88.9	0	0	0	111.5	K149 A152 H153 F171 L172 E173 T174	Y144-K149 HydrophobicContact CD2-CB 4.2Å; Y144-K149 HydrophobicContact CD2-CG 4.43Å; Y144-K149 HydrophobicContact CE2-CB 4.17Å; Y144-K149 HydrophobicContact CE2-CG 3.91Å; Y144-A152 VanDerWaalsContact CB-CB 3.47Å; Y144-A152 HydrophobicContact CD1-CB 3.8Å; Y144-A152 HydrophobicContact CD2-CB 4.28Å; Y144-A152 HydrophobicContact CG-CB 3.59Å; Y144-H153 PolarHBondContact OH-NE2 2.9Å; Y144-F171 HydrophobicContact CD1-CD2 4.3Å; Y144-F171 HydrophobicContact CD1-CE1 4.44Å; Y144-F171 AromaticContact CD1-CE2 3.75Å; Y144-F171 HydrophobicContact CD1-CE2 3.75Å; Y144-F171 AromaticContact CD1-CZ 3.83Å; Y144-F171 HydrophobicContact CD1-CZ 3.83Å; Y144-F171 AromaticContact CE1-CD1 3.9Å; Y144-F171 HydrophobicContact CE1-CD1 3.9Å; Y144-F171 AromaticContact CE1-CD2 3.99Å; Y144-F171 HydrophobicContact CE1-CD2 3.99Å; Y144-F171 AromaticContact CE1-CE1 3.45Å; Y144-F171 HydrophobicContact CE1-CE1 3.45Å; Y144-F171 VanDerWaalsContact CE1-CE1 3.45Å; Y144-F171 AromaticContact CE1-CE2 3.55Å; Y144-F171 HydrophobicContact CE1-CE2 3.55Å; Y144-F171 HydrophobicContact CE1-CG 4.15Å; Y144-F171 AromaticContact CE1-CZ 3.25Å; Y144-F171 HydrophobicContact CE1-CZ 3.25Å; Y144-F171 AromaticContact CZ-CE1 3.82Å; Y144-F171 AromaticContact CZ-CZ 3.84Å; Y144-L172 PolarHBondContact N-O 3.35Å; Y144-E173 HydrophobicContact CD2-CB 4.29Å; Y144-E173 HydrophobicContact CD2-CG 4.15Å; Y144-E173 HydrophobicContact CE2-CB 3.63Å; Y144-E173 HydrophobicContact CE2-CG 3.73Å; Y144-E173 WeakPolarHBondContact O-CA 3.45Å; Y144-T174 PolarHBondContact O-N 3.26Å
145	S	91.4	Very high	88.7	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.014	25%	0.254	C	S	.	.			trans	-98	163.8	175.5	45.7	0	0	0	0	109.7	E147 T148 K149 F193 T195	S145-E147 PolarHBondContact O-N 3.5Å; S145-T148 PolarHBondContact N-OG1 2.82Å; S145-T148 VanDerWaalsContact N-OG1 3.17Å; S145-T148 PolarHBondContact O-N 3.39Å; S145-T148 PolarHBondContact O-OG1 2.96Å; S145-T148 PolarHBondContact OG-OG1 3.02Å; S145-K149 PolarHBondContact O-N 3.47Å; S145-K149 VanDerWaalsContact O-N 3.13Å; S145-F193 PolarHBondContact OG-O 3.4Å; S145-T195 PolarHBondContact OG-N 3.44Å
146	E	88.3	Confident	89	Confident	154 Å²	154	57.3 Å²	57.3	72%	0.72	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-52.7	-40.2	175.9	-170.5	175.7	-174.7	0	0	111.9	T148 K149	E146-T148 VanDerWaalsContact C-N 3.27Å; E146-T148 PolarHBondContact O-N 2.86Å; E146-K149 VanDerWaalsContact O-CB 3.3Å; E146-K149 WeakPolarHBondContact O-CB 3.5Å; E146-K149 PolarHBondContact O-N 3.24Å
147	E	86.9	Confident	89.2	Confident	149 Å²	149	53.5 Å²	53.5	70%	0.696	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.5	-27.6	178.6	-63.8	-174.6	-178.1	0	0	114.1	S145 T195	S145-E147 PolarHBondContact O-N 3.5Å; E147-T195 HydrophobicContact CB-CG2 4.38Å; E147-T195 HydrophobicContact CG-CG2 4.43Å; E147-T195 VanDerWaalsContact OE2-CG2 3.28Å; E147-T195 WeakPolarHBondContact OE2-CG2 3.42Å
148	T	89.3	Confident	89.2	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.043	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-109.6	8.3	-175.1	56.5	0	0	0	0	113	S145 E146 Y150 T151 A152 F193 C223	S145-T148 PolarHBondContact N-OG1 2.82Å; S145-T148 VanDerWaalsContact N-OG1 3.17Å; S145-T148 PolarHBondContact O-N 3.39Å; S145-T148 PolarHBondContact O-OG1 2.96Å; S145-T148 PolarHBondContact OG-OG1 3.02Å; E146-T148 VanDerWaalsContact C-N 3.27Å; E146-T148 PolarHBondContact O-N 2.86Å; T148-Y150 PolarHBondContact O-N 3.44Å; T148-T151 WeakPolarHBondContact O-CB 3.45Å; T148-T151 PolarHBondContact O-N 2.83Å; T148-A152 WeakPolarHBondContact O-CB 3.39Å; T148-A152 PolarHBondContact O-N 2.99Å; T148-F193 VanDerWaalsContact CB-O 3.27Å; T148-F193 WeakPolarHBondContact CB-O 3.36Å; T148-F193 WeakPolarHBondContact CG2-O 3.47Å; T148-F193 PolarHBondContact OG1-O 3.2Å; T148-C223 HydrophobicContact CG2-CB 4.23Å
149	K	90.8	Very high	89.5	Confident	70 Å²	70	48.7 Å²	48.7	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-51.4	-52.1	-176	-177.1	171.2	-166.8	140.4	0	113.3	Y144 S145 E146 T151 A152 H153 E173	Y144-K149 HydrophobicContact CD2-CB 4.2Å; Y144-K149 HydrophobicContact CD2-CG 4.43Å; Y144-K149 HydrophobicContact CE2-CB 4.17Å; Y144-K149 HydrophobicContact CE2-CG 3.91Å; S145-K149 PolarHBondContact O-N 3.47Å; S145-K149 VanDerWaalsContact O-N 3.13Å; E146-K149 VanDerWaalsContact O-CB 3.3Å; E146-K149 WeakPolarHBondContact O-CB 3.5Å; E146-K149 PolarHBondContact O-N 3.24Å; K149-T151 PolarHBondContact O-N 2.73Å; K149-A152 PolarHBondContact O-N 3.27Å; K149-H153 WeakPolarHBondContact O-CB 3.39Å; K149-H153 PolarHBondContact O-CD2 2.77Å; K149-H153 VanDerWaalsContact O-CD2 3.22Å; K149-H153 PolarHBondContact O-N 3.43Å; K149-E173 IonicContact NZ-OE2 4Å; K149-E173 PolarHBondContact NZ-OE2 3.06Å
150	Y	87.4	Confident	89.5	Confident	201 Å²	201	47.7 Å²	47.7	79%	0.788	23%	0.23	S	C	*	.	H	α-helix	trans	-63.1	-41.9	-177.3	-63.3	-70.4	0	0	0	112.5	T148 A154	T148-Y150 PolarHBondContact O-N 3.44Å; Y150-A154 WeakPolarHBondContact O-CB 3.42Å; Y150-A154 PolarHBondContact O-N 3.41Å; Y150-A154 VanDerWaalsContact O-N 3.09Å
151	T	86.3	Confident	89.2	Confident	46 Å²	46	54.5 Å²	54.5	28%	0.282	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-48.5	175.4	-51.2	0	0	0	0	110.7	L121 T148 K149 A154 I155	L121-T151 HydrophobicContact CD2-CG2 3.55Å; T148-T151 WeakPolarHBondContact O-CB 3.45Å; T148-T151 PolarHBondContact O-N 2.83Å; K149-T151 PolarHBondContact O-N 2.73Å; T151-A154 PolarHBondContact O-N 3.06Å; T151-I155 HydrophobicContact CG2-CD1 4.01Å; T151-I155 WeakPolarHBondContact O-CG1 3.39Å; T151-I155 PolarHBondContact O-N 3.27Å; T151-I155 VanDerWaalsContact O-N 3.07Å
152	A	91	Very high	88.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-42.4	-178.3	0	0	0	0	0	112.4	Y144 T148 K149 I155 Y156 F171 F193	Y144-A152 VanDerWaalsContact CB-CB 3.47Å; Y144-A152 HydrophobicContact CD1-CB 3.8Å; Y144-A152 HydrophobicContact CD2-CB 4.28Å; Y144-A152 HydrophobicContact CG-CB 3.59Å; T148-A152 WeakPolarHBondContact O-CB 3.39Å; T148-A152 PolarHBondContact O-N 2.99Å; K149-A152 PolarHBondContact O-N 3.27Å; A152-I155 PolarHBondContact O-N 3.44Å; A152-Y156 WeakPolarHBondContact O-CB 3.39Å; A152-Y156 PolarHBondContact O-N 3.38Å; A152-F171 HydrophobicContact CB-CE2 4.15Å; A152-F171 HydrophobicContact CB-CZ 4.33Å; A152-F193 HydrophobicContact CB-CD2 4.22Å; A152-F193 HydrophobicContact CB-CG 4.49Å
153	H	92	Very high	87.9	Confident	70 Å²	70	63.6 Å²	63.6	32%	0.324	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-45.5	176.7	-88.9	-85.7	0	0	0	112.3	Y144 K149 I155 Y156 D157 F171	Y144-H153 PolarHBondContact OH-NE2 2.9Å; K149-H153 WeakPolarHBondContact O-CB 3.39Å; K149-H153 PolarHBondContact O-CD2 2.77Å; K149-H153 VanDerWaalsContact O-CD2 3.22Å; K149-H153 PolarHBondContact O-N 3.43Å; H153-I155 VanDerWaalsContact C-N 3.32Å; H153-I155 PolarHBondContact O-N 2.95Å; H153-Y156 WeakPolarHBondContact O-CB 3.29Å; H153-Y156 PolarHBondContact O-N 3.38Å; H153-D157 PolarHBondContact O-N 2.73Å; H153-F171 HydrophobicContact CB-CZ 4.4Å; H153-F171 AromaticContact CD2-CZ 3.85Å; H153-F171 AromaticContact CE1-CE1 3.45Å; H153-F171 VanDerWaalsContact CE1-CE1 3.45Å; H153-F171 WeakPolarHBondContact CE1-CE1 3.49Å; H153-F171 AromaticContact CG-CE1 3.99Å; H153-F171 AromaticContact CG-CZ 3.77Å; H153-F171 AromaticContact ND1-CE1 3.61Å; H153-F171 AromaticContact ND1-CZ 3.85Å; H153-F171 AromaticContact NE2-CE1 3.7Å
154	A	87.7	Confident	87.3	Confident	27 Å²	27	71.9 Å²	71.9	22%	0.223	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-43.4	178	0	0	0	0	0	111.6	L121 Y150 T151 D157 M158	L121-A154 HydrophobicContact CD1-CB 3.77Å; Y150-A154 WeakPolarHBondContact O-CB 3.42Å; Y150-A154 PolarHBondContact O-N 3.41Å; Y150-A154 VanDerWaalsContact O-N 3.09Å; T151-A154 PolarHBondContact O-N 3.06Å; A154-D157 PolarHBondContact O-N 3.03Å; A154-M158 VanDerWaalsContact C-CE 3.49Å; A154-M158 HydrophobicContact CB-CE 4.15Å; A154-M158 WeakPolarHBondContact O-CE 3.22Å; A154-M158 WeakPolarHBondContact O-CG 3.27Å; A154-M158 PolarHBondContact O-N 3.45Å
155	I	88.8	Confident	86.6	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-40.3	177.1	-68.8	171.4	0	0	0	111.1	T124 A125 I128 T151 A152 H153 M158 L159 F193	T124-I155 HydrophobicContact CG2-CD1 3.75Å; A125-I155 HydrophobicContact CB-CG2 4.13Å; I128-I155 HydrophobicContact CD1-CG2 3.94Å; T151-I155 HydrophobicContact CG2-CD1 4.01Å; T151-I155 WeakPolarHBondContact O-CG1 3.39Å; T151-I155 PolarHBondContact O-N 3.27Å; T151-I155 VanDerWaalsContact O-N 3.07Å; A152-I155 PolarHBondContact O-N 3.44Å; H153-I155 VanDerWaalsContact C-N 3.32Å; H153-I155 PolarHBondContact O-N 2.95Å; I155-M158 HydrophobicContact CG1-CE 4.5Å; I155-M158 PolarHBondContact O-N 3.05Å; I155-L159 HydrophobicContact CG2-CD1 3.71Å; I155-L159 HydrophobicContact CG2-CG 4.18Å; I155-L159 WeakPolarHBondContact O-CB 3.41Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.29Å; I155-F193 HydrophobicContact CD1-CE1 3.58Å; I155-F193 HydrophobicContact CD1-CZ 3.49Å; I155-F193 VanDerWaalsContact CD1-CZ 3.49Å; I155-F193 HydrophobicContact CG2-CZ 4.17Å
156	Y	92.3	Very high	86.3	Confident	74 Å²	74	74.8 Å²	74.8	29%	0.29	37%	0.365	S	S	.	.	H	α-helix	trans	-56.7	-50.8	175.1	171.4	-88.3	0	0	0	111.2	A152 H153 M158 L159 A160 I168 F171	A152-Y156 WeakPolarHBondContact O-CB 3.39Å; A152-Y156 PolarHBondContact O-N 3.38Å; H153-Y156 WeakPolarHBondContact O-CB 3.29Å; H153-Y156 PolarHBondContact O-N 3.38Å; Y156-M158 VanDerWaalsContact C-N 3.29Å; Y156-M158 PolarHBondContact O-N 3.49Å; Y156-L159 PolarHBondContact O-N 2.84Å; Y156-A160 HydrophobicContact CE1-CB 4.33Å; Y156-A160 VanDerWaalsContact O-CB 3.25Å; Y156-A160 WeakPolarHBondContact O-CB 3.48Å; Y156-A160 PolarHBondContact O-N 3.14Å; Y156-I168 HydrophobicContact CD2-CB 4.4Å; Y156-I168 HydrophobicContact CD2-CD1 3.53Å; Y156-I168 HydrophobicContact CD2-CG2 3.98Å; Y156-I168 HydrophobicContact CE2-CB 4Å; Y156-I168 HydrophobicContact CE2-CD1 3.79Å; Y156-I168 HydrophobicContact CE2-CG2 3.8Å; Y156-I168 HydrophobicContact CG-CD1 4.32Å; Y156-F171 HydrophobicContact CD2-CB 3.89Å; Y156-F171 HydrophobicContact CD2-CD1 4.31Å; Y156-F171 AromaticContact CD2-CD2 3.48Å; Y156-F171 HydrophobicContact CD2-CD2 3.48Å; Y156-F171 VanDerWaalsContact CD2-CD2 3.48Å; Y156-F171 HydrophobicContact CD2-CE2 4.11Å; Y156-F171 AromaticContact CD2-CG 3.62Å; Y156-F171 HydrophobicContact CD2-CG 3.62Å; Y156-F171 HydrophobicContact CE2-CB 3.86Å; Y156-F171 HydrophobicContact CE2-CD2 4.32Å; Y156-F171 HydrophobicContact CE2-CG 4.02Å; Y156-F171 HydrophobicContact CG-CD1 4.49Å; Y156-F171 AromaticContact CG-CD2 3.88Å; Y156-F171 HydrophobicContact CG-CD2 3.88Å; Y156-F171 HydrophobicContact CG-CE2 4.04Å; Y156-F171 HydrophobicContact CG-CG 4.14Å; Y156-F171 HydrophobicContact CG-CZ 4.4Å
157	D	88.3	Confident	86.2	Confident	95 Å²	95	72.2 Å²	72.2	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-59.7	-42.2	-179	-68.9	-22.7	0	0	0	111.1	H153 A154 A160 E161	H153-D157 PolarHBondContact O-N 2.73Å; A154-D157 PolarHBondContact O-N 3.03Å; D157-A160 PolarHBondContact O-N 3.13Å; D157-E161 PolarHBondContact O-N 2.7Å
158	M	87	Confident	86.2	Confident	53 Å²	53	66.3 Å²	66.3	26%	0.261	32%	0.324	S	S	.	.	H	α-helix	trans	-68.8	-36	179.1	-71.2	-177	-81.1	0	0	113.5	L121 A122 A125 A154 I155 Y156	L121-M158 VanDerWaalsContact C-CE 3.45Å; L121-M158 HydrophobicContact CB-CE 3.65Å; A122-M158 WeakPolarHBondContact CA-SD 3.47Å; A122-M158 HydrophobicContact CB-SD 3.7Å; A125-M158 HydrophobicContact CB-CB 3.82Å; A125-M158 HydrophobicContact CB-CE 4.41Å; A125-M158 HydrophobicContact CB-SD 4.5Å; A154-M158 VanDerWaalsContact C-CE 3.49Å; A154-M158 HydrophobicContact CB-CE 4.15Å; A154-M158 WeakPolarHBondContact O-CE 3.22Å; A154-M158 WeakPolarHBondContact O-CG 3.27Å; A154-M158 PolarHBondContact O-N 3.45Å; I155-M158 HydrophobicContact CG1-CE 4.5Å; I155-M158 PolarHBondContact O-N 3.05Å; Y156-M158 VanDerWaalsContact C-N 3.29Å; Y156-M158 PolarHBondContact O-N 3.49Å
159	L	88.5	Confident	86	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-74.5	-34.8	174.9	-71.3	174.8	0	0	0	111.8	A125 I128 L129 I142 I155 Y156 E161 Q162 L166 I168	A125-L159 HydrophobicContact CB-CD2 4.38Å; A125-L159 HydrophobicContact CB-CG 4.32Å; A125-L159 WeakPolarHBondContact O-CD2 3.45Å; I128-L159 HydrophobicContact CG2-CD1 4.03Å; L129-L159 HydrophobicContact CB-CD2 4.01Å; I142-L159 HydrophobicContact CD1-CD1 4.08Å; I155-L159 HydrophobicContact CG2-CD1 3.71Å; I155-L159 HydrophobicContact CG2-CG 4.18Å; I155-L159 WeakPolarHBondContact O-CB 3.41Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.29Å; Y156-L159 PolarHBondContact O-N 2.84Å; L159-E161 PolarHBondContact O-N 3.38Å; L159-Q162 WeakPolarHBondContact O-CA 3.36Å; L159-Q162 WeakPolarHBondContact O-CB 3.49Å; L159-Q162 PolarHBondContact O-N 2.97Å; L159-L166 HydrophobicContact CD2-CD2 4.18Å; L159-I168 HydrophobicContact CB-CD1 3.82Å
160	A	85.4	Confident	85.7	Confident	37 Å²	37	65.6 Å²	65.6	31%	0.306	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-26.5	177.8	0	0	0	0	0	112.4	Y156 D157 Q162 E163	Y156-A160 HydrophobicContact CE1-CB 4.33Å; Y156-A160 VanDerWaalsContact O-CB 3.25Å; Y156-A160 WeakPolarHBondContact O-CB 3.48Å; Y156-A160 PolarHBondContact O-N 3.14Å; D157-A160 PolarHBondContact O-N 3.13Å; A160-Q162 PolarHBondContact O-N 3.36Å; A160-E163 PolarHBondContact O-N 3.46Å
161	E	83	Confident	85.8	Confident	143 Å²	143	58.1 Å²	58.1	67%	0.668	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.8	169.3	-71.5	-178	-173.8	0	0	113.4	D157 L159	D157-E161 PolarHBondContact O-N 2.7Å; L159-E161 PolarHBondContact O-N 3.38Å
162	Q	80.8	Confident	86	Confident	50 Å²	50	58.1 Å²	58.1	23%	0.234	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	34.7	179.7	-55.4	-61.2	-59.6	0	0	111.7	L129 L159 A160 D164 D165 L166	L129-Q162 HydrophobicContact CD1-CB 4.43Å; L129-Q162 HydrophobicContact CD2-CB 4.29Å; L129-Q162 HydrophobicContact CD2-CG 3.9Å; L159-Q162 WeakPolarHBondContact O-CA 3.36Å; L159-Q162 WeakPolarHBondContact O-CB 3.49Å; L159-Q162 PolarHBondContact O-N 2.97Å; A160-Q162 PolarHBondContact O-N 3.36Å; Q162-D164 PolarHBondContact O-N 3.02Å; Q162-D164 VanDerWaalsContact O-N 3.1Å; Q162-D165 PolarHBondContact O-N 3.18Å; Q162-L166 PolarHBondContact O-N 3.48Å
163	E	75.2	Confident	85.9	Confident	141 Å²	141	61.1 Å²	61.1	66%	0.659	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30	-174.3	-166.4	175.6	-173.6	0	0	113.9	A160 D165	A160-E163 PolarHBondContact O-N 3.46Å; E163-D165 VanDerWaalsContact C-N 3.26Å; E163-D165 PolarHBondContact O-N 3.36Å
164	D	78.3	Confident	85.7	Confident	173 Å²	173	58 Å²	58	93%	0.925	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.9	175.6	-71.5	-33.4	0	0	0	113	Q162	Q162-D164 PolarHBondContact O-N 3.02Å; Q162-D164 VanDerWaalsContact O-N 3.1Å
165	D	79.1	Confident	85.6	Confident	76 Å²	76	60 Å²	60	41%	0.406	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-37.6	-179.1	-77	-36.5	0	0	0	112.5	L129 K133 Q162 E163	L129-D165 HydrophobicContact CD1-CB 4.44Å; K133-D165 VanDerWaalsContact CE-CG 3.41Å; K133-D165 WeakPolarHBondContact CE-OD2 3.38Å; K133-D165 IonicContact NZ-OD1 3.36Å; K133-D165 IonicContact NZ-OD2 3.28Å; K133-D165 PolarHBondContact NZ-OD2 3.43Å; Q162-D165 PolarHBondContact O-N 3.18Å; E163-D165 VanDerWaalsContact C-N 3.26Å; E163-D165 PolarHBondContact O-N 3.36Å
166	L	85.5	Confident	85.1	Confident	2 Å²	2	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.			trans	-147.3	119.5	-171.6	-173.8	68.2	0	0	0	111.4	L129 C132 W137 I140 L159 Q162	L129-L166 HydrophobicContact CD1-CB 3.96Å; L129-L166 HydrophobicContact CD1-CD2 4.05Å; C132-L166 HydrophobicContact CB-CD1 3.94Å; C132-L166 HydrophobicContact CB-CD2 4.2Å; W137-L166 VanDerWaalsContact O-CD1 3.3Å; W137-L166 WeakPolarHBondContact O-CD1 3.44Å; I140-L166 HydrophobicContact CD1-CD1 4.41Å; I140-L166 HydrophobicContact CD1-CD2 3.76Å; I140-L166 HydrophobicContact CD1-CG 4.28Å; I140-L166 HydrophobicContact CG1-CD1 4.02Å; I140-L166 HydrophobicContact CG1-CD2 4.16Å; I140-L166 HydrophobicContact CG1-CG 4.12Å; I140-L166 HydrophobicContact CG2-CD1 3.96Å; L159-L166 HydrophobicContact CD2-CD2 4.18Å; Q162-L166 PolarHBondContact O-N 3.48Å
167	K	85.6	Confident	84.5	Confident	99 Å²	99	61.8 Å²	61.8	43%	0.43	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134	177.1	178	-176.2	177.5	-161.6	0	111.3	K138 E139 I140 N169	K138-K167 PolarHBondContact O-N 2.8Å; E139-K167 CarbonylContact C-O 3.57Å; E139-K167 VanDerWaalsContact CA-O 3.22Å; E139-K167 WeakPolarHBondContact CA-O 3.44Å; E139-K167 HydrophobicContact CG-CB 4.09Å; E139-K167 HydrophobicContact CG-CD 4.24Å; E139-K167 HydrophobicContact CG-CG 4.49Å; I140-K167 PolarHBondContact N-O 2.81Å; K167-N169 WeakPolarHBondContact CE-OD1 3.47Å
168	I	88.3	Confident	84	Confident	26 Å²	26	59.6 Å²	59.6	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	105.4	178.4	-54	169.6	0	0	0	108.6	I140 I142 Y156 L159 V170 F171	I140-I168 HydrophobicContact CG1-CG1 4.3Å; I140-I168 CarbonylContact O-C 3.58Å; I140-I168 WeakPolarHBondContact O-CA 3.5Å; I142-I168 HydrophobicContact CD1-CD1 3.96Å; I142-I168 HydrophobicContact CD1-CG2 4.27Å; I142-I168 HydrophobicContact CG1-CG2 4.29Å; Y156-I168 HydrophobicContact CD2-CB 4.4Å; Y156-I168 HydrophobicContact CD2-CD1 3.53Å; Y156-I168 HydrophobicContact CD2-CG2 3.98Å; Y156-I168 HydrophobicContact CE2-CB 4Å; Y156-I168 HydrophobicContact CE2-CD1 3.79Å; Y156-I168 HydrophobicContact CE2-CG2 3.8Å; Y156-I168 HydrophobicContact CG-CD1 4.32Å; L159-I168 HydrophobicContact CB-CD1 3.82Å; I168-V170 WeakPolarHBondContact CG2-O 3.45Å; I168-F171 HydrophobicContact CG2-CB 4.47Å
169	N	83.8	Confident	83.3	Confident	54 Å²	54	60.6 Å²	60.6	29%	0.289	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-23.5	-178.3	-72.1	-12.5	0	0	0	113	E139 I140 K167 S186	E139-N169 PolarHBondContact OE2-ND2 3Å; I140-N169 PolarHBondContact O-N 2.84Å; K167-N169 WeakPolarHBondContact CE-OD1 3.47Å; N169-S186 VanDerWaalsContact CB-O 3.28Å; N169-S186 WeakPolarHBondContact CB-O 3.3Å; N169-S186 PolarHBondContact ND2-O 2.97Å
170	V	85.3	Confident	82.4	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.5	-174.2	-179	0	0	0	0	108.6	G141 I142 I168 L172 I183 A187	G141-V170 CarbonylContact C-O 3.56Å; G141-V170 WeakPolarHBondContact CA-O 3.43Å; I142-V170 PolarHBondContact N-O 2.94Å; I168-V170 WeakPolarHBondContact CG2-O 3.45Å; V170-L172 HydrophobicContact CG1-CB 4.15Å; V170-L172 HydrophobicContact CG1-CD1 3.6Å; V170-L172 HydrophobicContact CG1-CG 3.75Å; V170-I183 HydrophobicContact CG1-CG1 4.22Å; V170-A187 HydrophobicContact CB-CB 4.06Å; V170-A187 HydrophobicContact CG2-CB 3.62Å
171	F	89.8	Confident	81.6	Confident	44 Å²	44	66 Å²	66	19%	0.193	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	94.6	169.5	-177.9	-104.3	0	0	0	107.6	I142 Y144 A152 H153 Y156 I168	I142-F171 HydrophobicContact CB-CD2 3.85Å; I142-F171 HydrophobicContact CB-CE2 4.43Å; I142-F171 HydrophobicContact CD1-CD2 4.48Å; I142-F171 HydrophobicContact CG2-CD2 3.84Å; I142-F171 HydrophobicContact CG2-CE2 3.91Å; I142-F171 WeakPolarHBondContact O-CA 3.32Å; Y144-F171 HydrophobicContact CD1-CD2 4.3Å; Y144-F171 HydrophobicContact CD1-CE1 4.44Å; Y144-F171 AromaticContact CD1-CE2 3.75Å; Y144-F171 HydrophobicContact CD1-CE2 3.75Å; Y144-F171 AromaticContact CD1-CZ 3.83Å; Y144-F171 HydrophobicContact CD1-CZ 3.83Å; Y144-F171 AromaticContact CE1-CD1 3.9Å; Y144-F171 HydrophobicContact CE1-CD1 3.9Å; Y144-F171 AromaticContact CE1-CD2 3.99Å; Y144-F171 HydrophobicContact CE1-CD2 3.99Å; Y144-F171 AromaticContact CE1-CE1 3.45Å; Y144-F171 HydrophobicContact CE1-CE1 3.45Å; Y144-F171 VanDerWaalsContact CE1-CE1 3.45Å; Y144-F171 AromaticContact CE1-CE2 3.55Å; Y144-F171 HydrophobicContact CE1-CE2 3.55Å; Y144-F171 HydrophobicContact CE1-CG 4.15Å; Y144-F171 AromaticContact CE1-CZ 3.25Å; Y144-F171 HydrophobicContact CE1-CZ 3.25Å; Y144-F171 AromaticContact CZ-CE1 3.82Å; Y144-F171 AromaticContact CZ-CZ 3.84Å; A152-F171 HydrophobicContact CB-CE2 4.15Å; A152-F171 HydrophobicContact CB-CZ 4.33Å; H153-F171 HydrophobicContact CB-CZ 4.4Å; H153-F171 AromaticContact CD2-CZ 3.85Å; H153-F171 AromaticContact CE1-CE1 3.45Å; H153-F171 VanDerWaalsContact CE1-CE1 3.45Å; H153-F171 WeakPolarHBondContact CE1-CE1 3.49Å; H153-F171 AromaticContact CG-CE1 3.99Å; H153-F171 AromaticContact CG-CZ 3.77Å; H153-F171 AromaticContact ND1-CE1 3.61Å; H153-F171 AromaticContact ND1-CZ 3.85Å; H153-F171 AromaticContact NE2-CE1 3.7Å; Y156-F171 HydrophobicContact CD2-CB 3.89Å; Y156-F171 HydrophobicContact CD2-CD1 4.31Å; Y156-F171 AromaticContact CD2-CD2 3.48Å; Y156-F171 HydrophobicContact CD2-CD2 3.48Å; Y156-F171 VanDerWaalsContact CD2-CD2 3.48Å; Y156-F171 HydrophobicContact CD2-CE2 4.11Å; Y156-F171 AromaticContact CD2-CG 3.62Å; Y156-F171 HydrophobicContact CD2-CG 3.62Å; Y156-F171 HydrophobicContact CE2-CB 3.86Å; Y156-F171 HydrophobicContact CE2-CD2 4.32Å; Y156-F171 HydrophobicContact CE2-CG 4.02Å; Y156-F171 HydrophobicContact CG-CD1 4.49Å; Y156-F171 AromaticContact CG-CD2 3.88Å; Y156-F171 HydrophobicContact CG-CD2 3.88Å; Y156-F171 HydrophobicContact CG-CE2 4.04Å; Y156-F171 HydrophobicContact CG-CG 4.14Å; Y156-F171 HydrophobicContact CG-CZ 4.4Å; I168-F171 HydrophobicContact CG2-CB 4.47Å
172	L	89.3	Confident	81.1	Confident	46 Å²	46	62.6 Å²	62.6	24%	0.241	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.6	-167.6	-71	175.2	0	0	0	112.6	I142 I143 Y144 V170 N179 I183	I142-L172 PolarHBondContact O-N 2.84Å; I142-L172 VanDerWaalsContact O-N 3.09Å; I143-L172 WeakPolarHBondContact CA-O 3.5Å; Y144-L172 PolarHBondContact N-O 3.35Å; V170-L172 HydrophobicContact CG1-CB 4.15Å; V170-L172 HydrophobicContact CG1-CD1 3.6Å; V170-L172 HydrophobicContact CG1-CG 3.75Å; L172-N179 HydrophobicContact CD1-CB 4.35Å; L172-I183 HydrophobicContact CB-CD1 4.45Å; L172-I183 HydrophobicContact CB-CG1 4.19Å; L172-I183 HydrophobicContact CD1-CG1 3.59Å; L172-I183 HydrophobicContact CG-CG1 4.5Å
173	E	89.6	Confident	80.6	Confident	64 Å²	64	60.2 Å²	60.2	30%	0.299	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.2	166.6	-163.4	176.2	144.9	0	0	109.5	Y144 K149 N179	Y144-E173 HydrophobicContact CD2-CB 4.29Å; Y144-E173 HydrophobicContact CD2-CG 4.15Å; Y144-E173 HydrophobicContact CE2-CB 3.63Å; Y144-E173 HydrophobicContact CE2-CG 3.73Å; Y144-E173 WeakPolarHBondContact O-CA 3.45Å; K149-E173 IonicContact NZ-OE2 4Å; K149-E173 PolarHBondContact NZ-OE2 3.06Å; E173-N179 PolarHBondContact O-ND2 3.25Å
174	T	88.4	Confident	80.3	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.025	27%	0.273	C	S	.	.			trans	-150.6	141.8	175.4	-176.9	0	0	0	0	111.4	I143 Y144 G176 S178 I183 L194	I143-T174 HydrophobicContact CB-CG2 4.24Å; Y144-T174 PolarHBondContact O-N 3.26Å; T174-G176 VanDerWaalsContact C-N 3.25Å; T174-G176 PolarHBondContact OG1-N 3.43Å; T174-S178 PolarHBondContact OG1-O 3.04Å; T174-I183 HydrophobicContact CG2-CD1 4.19Å; T174-L194 HydrophobicContact CG2-CD1 4.1Å; T174-L194 HydrophobicContact CG2-CD2 3.59Å; T174-L194 HydrophobicContact CG2-CG 4.44Å; T174-L194 WeakPolarHBondContact O-CD2 3.45Å
175	D	85.1	Confident	79.8	Confident	70 Å²	70	50.6 Å²	50.6	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-89.3	9.5	168.2	65.7	-20.4	0	0	0	112.2	L177 S178 K201	D175-L177 VanDerWaalsContact C-N 3.33Å; D175-L177 PolarHBondContact OD1-N 2.89Å; D175-S178 WeakPolarHBondContact OD1-CB 3.47Å; D175-S178 PolarHBondContact OD1-N 3.47Å; D175-S178 PolarHBondContact OD1-OG 3.23Å; D175-K201 VanDerWaalsContact O-CD 3.28Å; D175-K201 WeakPolarHBondContact O-CD 3.37Å
176	G	79.1	Confident	79.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	86.2	-9.7	-174.3	0	0	0	0	0	115	T174 K201 F202 T205	T174-G176 VanDerWaalsContact C-N 3.25Å; T174-G176 PolarHBondContact OG1-N 3.43Å; G176-K201 CarbonylContact O-C 3.44Å; G176-F202 VanDerWaalsContact O-CA 3.23Å; G176-F202 WeakPolarHBondContact O-CA 3.33Å; G176-F202 PolarHBondContact O-N 2.89Å; G176-T205 PolarHBondContact O-OG1 3.44Å
177	L	79.9	Confident	78.9	Confident	111 Å²	111	49.5 Å²	49.5	58%	0.581	25%	0.252	S	S	*	.	S	Bend	trans	-110.3	-37.1	177.2	-65.3	168.1	0	0	0	111.7	D175 T180	D175-L177 VanDerWaalsContact C-N 3.33Å; D175-L177 PolarHBondContact OD1-N 2.89Å; L177-T180 PolarHBondContact O-OG1 3.02Å
178	S	76.8	Confident	78.6	Confident	48 Å²	48	46.8 Å²	46.8	34%	0.336	24%	0.239	S	C	.	.	S	Bend	trans	-81.8	152.8	-179.9	54.8	0	0	0	0	112.8	T174 D175 T180	T174-S178 PolarHBondContact OG1-O 3.04Å; D175-S178 WeakPolarHBondContact OD1-CB 3.47Å; D175-S178 PolarHBondContact OD1-N 3.47Å; D175-S178 PolarHBondContact OD1-OG 3.23Å; S178-T180 PolarHBondContact O-N 3.4Å
179	N	72.9	Confident	78.4	Confident	75 Å²	75	45.6 Å²	45.6	40%	0.401	23%	0.233	S	C	.	.	S	Bend	trans	60.3	5.5	173.4	-62.3	-31.3	0	0	0	117	L172 E173 Y181 T182 I183	L172-N179 HydrophobicContact CD1-CB 4.35Å; E173-N179 PolarHBondContact O-ND2 3.25Å; N179-Y181 VanDerWaalsContact C-N 3.33Å; N179-Y181 PolarHBondContact O-N 2.85Å; N179-T182 PolarHBondContact O-N 3.44Å; N179-T182 VanDerWaalsContact O-N 3.15Å; N179-I183 HydrophobicContact CB-CD1 4.15Å; N179-I183 HydrophobicContact CB-CG1 4.48Å; N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.28Å; N179-I183 WeakPolarHBondContact O-CG1 3.31Å; N179-I183 PolarHBondContact O-N 2.99Å
180	T	68.8	Low	78.7	Confident	5 Å²	5	43 Å²	43	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-44.3	-173.8	-36.9	0	0	0	0	112	L177 S178 T182 I183 L184 F202 T205 L206	L177-T180 PolarHBondContact O-OG1 3.02Å; S178-T180 PolarHBondContact O-N 3.4Å; T180-T182 PolarHBondContact O-N 3.07Å; T180-I183 PolarHBondContact O-N 3.26Å; T180-L184 HydrophobicContact CG2-CD1 3.99Å; T180-L184 WeakPolarHBondContact O-CD1 3.41Å; T180-L184 WeakPolarHBondContact O-CG 3.43Å; T180-L184 PolarHBondContact O-N 3.42Å; T180-F202 HydrophobicContact CG2-CD2 4.08Å; T180-F202 HydrophobicContact CG2-CE2 3.74Å; T180-F202 HydrophobicContact CG2-CZ 4.5Å; T180-T205 HydrophobicContact CG2-CG2 3.86Å; T180-T205 WeakPolarHBondContact OG1-CG2 3.43Å; T180-L206 HydrophobicContact CG2-CD2 4.23Å
181	Y	70.1	Confident	79	Confident	149 Å²	149	42.7 Å²	42.7	58%	0.584	22%	0.218	S	C	*	.	H	α-helix	trans	-60.4	-43.7	179.7	-174.3	-92.2	0	0	0	112.8	N179 L184 H185	N179-Y181 VanDerWaalsContact C-N 3.33Å; N179-Y181 PolarHBondContact O-N 2.85Å; Y181-L184 PolarHBondContact O-N 2.71Å; Y181-H185 AromaticContact CE1-CE1 3.85Å; Y181-H185 AromaticContact CE1-ND1 3.87Å; Y181-H185 AromaticContact CE2-CE1 3.45Å; Y181-H185 VanDerWaalsContact CE2-CE1 3.45Å; Y181-H185 WeakPolarHBondContact CE2-CE1 3.29Å; Y181-H185 AromaticContact CE2-ND1 3.97Å; Y181-H185 AromaticContact CZ-CE1 3.27Å; Y181-H185 AromaticContact CZ-ND1 3.75Å; Y181-H185 AromaticContact CZ-NE2 3.66Å; Y181-H185 PolarHBondContact O-N 3.08Å; Y181-H185 PolarHBondContact O-ND1 3.12Å; Y181-H185 PolarHBondContact OH-CE1 3.32Å; Y181-H185 PolarHBondContact OH-NE2 3.12Å
182	T	72.3	Confident	79.2	Confident	71 Å²	71	40.6 Å²	40.6	44%	0.436	21%	0.208	S	C	.	.	H	α-helix	trans	-67.4	-41.1	-179.1	-28.2	0	0	0	0	111.6	N179 T180 L184 S186	N179-T182 PolarHBondContact O-N 3.44Å; N179-T182 VanDerWaalsContact O-N 3.15Å; T180-T182 PolarHBondContact O-N 3.07Å; T182-L184 VanDerWaalsContact C-N 3.32Å; T182-L184 PolarHBondContact O-N 3.15Å; T182-S186 VanDerWaalsContact O-CB 3.3Å; T182-S186 WeakPolarHBondContact O-CB 3.46Å; T182-S186 PolarHBondContact O-N 3.4Å; T182-S186 PolarHBondContact O-OG 3.19Å
183	I	70.7	Confident	79.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-46.8	175.7	-66.7	161.9	0	0	0	109.5	I143 V170 L172 T174 N179 T180 H185 S186 A187 L190 F202	I143-I183 HydrophobicContact CG2-CD1 3.82Å; I143-I183 HydrophobicContact CG2-CG1 4.07Å; I143-I183 HydrophobicContact CG2-CG2 3.83Å; V170-I183 HydrophobicContact CG1-CG1 4.22Å; L172-I183 HydrophobicContact CB-CD1 4.45Å; L172-I183 HydrophobicContact CB-CG1 4.19Å; L172-I183 HydrophobicContact CD1-CG1 3.59Å; L172-I183 HydrophobicContact CG-CG1 4.5Å; T174-I183 HydrophobicContact CG2-CD1 4.19Å; N179-I183 HydrophobicContact CB-CD1 4.15Å; N179-I183 HydrophobicContact CB-CG1 4.48Å; N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.28Å; N179-I183 WeakPolarHBondContact O-CG1 3.31Å; N179-I183 PolarHBondContact O-N 2.99Å; T180-I183 PolarHBondContact O-N 3.26Å; I183-H185 PolarHBondContact O-N 3.35Å; I183-S186 PolarHBondContact O-N 3.46Å; I183-A187 PolarHBondContact O-N 3.38Å; I183-A187 VanDerWaalsContact O-N 3.14Å; I183-L190 HydrophobicContact CG2-CD1 3.97Å; I183-L190 HydrophobicContact CG2-CD2 3.8Å; I183-F202 HydrophobicContact CD1-CE2 4.06Å; I183-F202 HydrophobicContact CG2-CE2 4.38Å; I183-F202 HydrophobicContact CG2-CZ 4.12Å
184	L	66.9	Low	79.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-70	-32	-173.7	-67.6	168	0	0	0	114.7	T180 Y181 T182 S186 L206 F211 F216	T180-L184 HydrophobicContact CG2-CD1 3.99Å; T180-L184 WeakPolarHBondContact O-CD1 3.41Å; T180-L184 WeakPolarHBondContact O-CG 3.43Å; T180-L184 PolarHBondContact O-N 3.42Å; Y181-L184 PolarHBondContact O-N 2.71Å; T182-L184 VanDerWaalsContact C-N 3.32Å; T182-L184 PolarHBondContact O-N 3.15Å; L184-S186 VanDerWaalsContact C-N 3.32Å; L184-L206 HydrophobicContact CD1-CD2 3.49Å; L184-L206 VanDerWaalsContact CD1-CD2 3.49Å; L184-L206 HydrophobicContact CD2-CD2 3.11Å; L184-L206 HydrophobicContact CG-CD2 3.76Å; L184-F211 HydrophobicContact CD1-CD2 3.87Å; L184-F211 HydrophobicContact CD1-CE2 3.72Å; L184-F211 HydrophobicContact CD1-CZ 4.45Å; L184-F216 HydrophobicContact CB-CE1 4.27Å; L184-F216 HydrophobicContact CB-CZ 3.91Å; L184-F216 HydrophobicContact CD2-CD1 4.03Å; L184-F216 HydrophobicContact CD2-CD2 4.09Å; L184-F216 HydrophobicContact CD2-CE1 3.51Å; L184-F216 HydrophobicContact CD2-CE2 3.57Å; L184-F216 HydrophobicContact CD2-CG 4.31Å; L184-F216 HydrophobicContact CD2-CZ 3.25Å; L184-F216 HydrophobicContact CG-CZ 4.18Å; L184-F216 WeakPolarHBondContact O-CE1 3.43Å
185	H	69.6	Low	79.4	Confident	110 Å²	110	36 Å²	36	51%	0.509	19%	0.186	S	C	.	.	H	α-helix	trans	-78.1	-20.3	177.4	-83.9	62.4	0	0	0	113.1	Y181 I183	Y181-H185 AromaticContact CE1-CE1 3.85Å; Y181-H185 AromaticContact CE1-ND1 3.87Å; Y181-H185 AromaticContact CE2-CE1 3.45Å; Y181-H185 VanDerWaalsContact CE2-CE1 3.45Å; Y181-H185 WeakPolarHBondContact CE2-CE1 3.29Å; Y181-H185 AromaticContact CE2-ND1 3.97Å; Y181-H185 AromaticContact CZ-CE1 3.27Å; Y181-H185 AromaticContact CZ-ND1 3.75Å; Y181-H185 AromaticContact CZ-NE2 3.66Å; Y181-H185 PolarHBondContact O-N 3.08Å; Y181-H185 PolarHBondContact O-ND1 3.12Å; Y181-H185 PolarHBondContact OH-CE1 3.32Å; Y181-H185 PolarHBondContact OH-NE2 3.12Å; I183-H185 PolarHBondContact O-N 3.35Å
186	S	70.9	Confident	79.4	Confident	51 Å²	51	33.8 Å²	33.8	36%	0.357	18%	0.176	S	C	.	.	H	α-helix	trans	-109.4	-22.7	-165.2	-54.2	0	0	0	0	113.3	N169 T182 I183 L184	N169-S186 VanDerWaalsContact CB-O 3.28Å; N169-S186 WeakPolarHBondContact CB-O 3.3Å; N169-S186 PolarHBondContact ND2-O 2.97Å; T182-S186 VanDerWaalsContact O-CB 3.3Å; T182-S186 WeakPolarHBondContact O-CB 3.46Å; T182-S186 PolarHBondContact O-N 3.4Å; T182-S186 PolarHBondContact O-OG 3.19Å; I183-S186 PolarHBondContact O-N 3.46Å; L184-S186 VanDerWaalsContact C-N 3.32Å
187	A	74.3	Confident	79.7	Confident	4 Å²	4	38 Å²	38	3%	0.033	20%	0.197	C	C	.	.			trans	-144.8	132.4	177.7	0	0	0	0	0	112.9	G141 V170 I183 L190 F216	G141-A187 VanDerWaalsContact CA-CB 3.48Å; V170-A187 HydrophobicContact CB-CB 4.06Å; V170-A187 HydrophobicContact CG2-CB 3.62Å; I183-A187 PolarHBondContact O-N 3.38Å; I183-A187 VanDerWaalsContact O-N 3.14Å; A187-L190 HydrophobicContact CB-CD2 3.7Å; A187-F216 WeakPolarHBondContact O-CE1 3.14Å
188	R	78	Confident	80.1	Confident	42 Å²	42	33.7 Å²	33.7	16%	0.158	18%	0.175	C	C	.	.	S	Bend	trans	-99.3	-26.3	178.2	-60.6	-60.3	-176.3	155.4	3.5	113.5	E215 F216 S217 Y400 D401	R188-E215 IonicContact CZ-OE2 2.67Å; R188-E215 IonicContact NH1-OE2 3.14Å; R188-E215 PolarHBondContact NH1-OE2 3.34Å; R188-F216 VanDerWaalsContact CD-CE1 3.46Å; R188-F216 VanDerWaalsContact O-CA 3.25Å; R188-F216 WeakPolarHBondContact O-CA 3.23Å; R188-S217 PolarHBondContact O-N 3.41Å; R188-Y400 HydrophobicContact CB-CE2 4.4Å; R188-Y400 HydrophobicContact CG-CD2 4.14Å; R188-Y400 HydrophobicContact CG-CE2 4.29Å; R188-D401 IonicContact NH2-OD1 3.15Å; R188-D401 PolarHBondContact NH2-OD1 3.34Å
189	A	85.9	Confident	80.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.9	167.4	0	0	0	0	0	109.1	W137 I140 G141 S217	W137-A189 HydrophobicContact CD2-CB 3.67Å; W137-A189 HydrophobicContact CE3-CB 3.57Å; W137-A189 HydrophobicContact CG-CB 4.19Å; W137-A189 HydrophobicContact CH2-CB 4.37Å; W137-A189 HydrophobicContact CZ2-CB 4.45Å; W137-A189 HydrophobicContact CZ3-CB 3.94Å; I140-A189 CarbonylContact C-O 3.57Å; I140-A189 WeakPolarHBondContact CA-O 3.34Å; I140-A189 HydrophobicContact CG2-CB 4.03Å; G141-A189 PolarHBondContact N-O 3.14Å; A189-S217 CarbonylContact C-O 3.53Å; A189-S217 WeakPolarHBondContact CA-O 3.43Å
190	L	88.9	Confident	81.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127	-173.8	-63.4	172.4	0	0	0	110.8	G141 I183 A187 F202 F216 S217 I218 V219	G141-L190 CarbonylContact O-C 3.54Å; G141-L190 VanDerWaalsContact O-CA 3.31Å; G141-L190 WeakPolarHBondContact O-CA 3.37Å; I183-L190 HydrophobicContact CG2-CD1 3.97Å; I183-L190 HydrophobicContact CG2-CD2 3.8Å; A187-L190 HydrophobicContact CB-CD2 3.7Å; L190-F202 HydrophobicContact CD1-CE1 4.31Å; L190-F202 HydrophobicContact CD1-CZ 4.16Å; L190-F216 HydrophobicContact CD1-CD1 4.46Å; L190-S217 PolarHBondContact N-O 3.08Å; L190-I218 HydrophobicContact CB-CG1 4.21Å; L190-I218 HydrophobicContact CD1-CG1 4.26Å; L190-I218 WeakPolarHBondContact O-CA 3.42Å; L190-V219 PolarHBondContact O-N 3.42Å
191	I	92.8	Very high	82.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.9	166.5	-51.1	-56.3	0	0	0	107.7	I128 M131 I140 G141 I142 I143 F193 V219 V221	I128-I191 HydrophobicContact CD1-CG2 4.16Å; I128-I191 HydrophobicContact CG2-CD1 4.23Å; I128-I191 HydrophobicContact CG2-CG1 4.13Å; M131-I191 HydrophobicContact CE-CD1 3.55Å; I140-I191 HydrophobicContact CD1-CG1 3.81Å; G141-I191 PolarHBondContact O-N 2.76Å; I142-I191 WeakPolarHBondContact CA-O 3.44Å; I142-I191 HydrophobicContact CG1-CB 4.28Å; I143-I191 PolarHBondContact N-O 2.66Å; I191-F193 HydrophobicContact CG2-CD2 4.35Å; I191-F193 HydrophobicContact CG2-CE2 3.64Å; I191-F193 HydrophobicContact CG2-CZ 3.98Å; I191-V219 CarbonylContact C-O 3.53Å; I191-V219 WeakPolarHBondContact CA-O 3.34Å; I191-V219 HydrophobicContact CD1-CB 3.99Å; I191-V219 HydrophobicContact CD1-CG2 4.47Å; I191-V221 HydrophobicContact CG2-CG2 3.82Å
192	S	92.6	Very high	83	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.2	-175.2	176.3	0	0	0	0	111.5	L194 V219 H220 V221	S192-L194 WeakPolarHBondContact OG-CG 3.32Å; S192-L194 PolarHBondContact OG-N 3.33Å; S192-V219 PolarHBondContact N-O 3.21Å; S192-H220 WeakPolarHBondContact O-CA 3.43Å; S192-H220 PolarHBondContact O-ND1 2.89Å; S192-H220 PolarHBondContact OG-ND1 3Å; S192-V221 PolarHBondContact O-N 3.23Å
193	F	93.1	Very high	83.6	Confident	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	21.2	168.1	-62.9	-83.5	0	0	0	111.6	I128 I142 I143 S145 T148 A152 I155 I191 V221	I128-F193 HydrophobicContact CD1-CZ 3.77Å; I142-F193 HydrophobicContact CG2-CD2 3.84Å; I142-F193 HydrophobicContact CG2-CE2 3.9Å; I143-F193 PolarHBondContact O-N 3.41Å; S145-F193 PolarHBondContact OG-O 3.4Å; T148-F193 VanDerWaalsContact CB-O 3.27Å; T148-F193 WeakPolarHBondContact CB-O 3.36Å; T148-F193 WeakPolarHBondContact CG2-O 3.47Å; T148-F193 PolarHBondContact OG1-O 3.2Å; A152-F193 HydrophobicContact CB-CD2 4.22Å; A152-F193 HydrophobicContact CB-CG 4.49Å; I155-F193 HydrophobicContact CD1-CE1 3.58Å; I155-F193 HydrophobicContact CD1-CZ 3.49Å; I155-F193 VanDerWaalsContact CD1-CZ 3.49Å; I155-F193 HydrophobicContact CG2-CZ 4.17Å; I191-F193 HydrophobicContact CG2-CD2 4.35Å; I191-F193 HydrophobicContact CG2-CE2 3.64Å; I191-F193 HydrophobicContact CG2-CZ 3.98Å; F193-V221 HydrophobicContact CD1-CB 3.94Å; F193-V221 HydrophobicContact CD1-CG1 4.36Å; F193-V221 HydrophobicContact CE1-CB 3.67Å; F193-V221 HydrophobicContact CE1-CG1 3.82Å; F193-V221 HydrophobicContact CE1-CG2 3.96Å; F193-V221 HydrophobicContact CZ-CB 4.34Å; F193-V221 HydrophobicContact CZ-CG2 4.13Å
194	L	90.8	Very high	84.2	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.116	C	C	.	.			trans	-68.2	153.6	-179.5	-62.9	177.2	0	0	0	112.1	I143 T174 S192 D198 L199 F202 H220	I143-L194 HydrophobicContact CD1-CD1 3.8Å; I143-L194 HydrophobicContact CD1-CG 4.36Å; I143-L194 HydrophobicContact CG1-CD1 4.22Å; I143-L194 HydrophobicContact CG1-CG 4.24Å; T174-L194 HydrophobicContact CG2-CD1 4.1Å; T174-L194 HydrophobicContact CG2-CD2 3.59Å; T174-L194 HydrophobicContact CG2-CG 4.44Å; T174-L194 WeakPolarHBondContact O-CD2 3.45Å; S192-L194 WeakPolarHBondContact OG-CG 3.32Å; S192-L194 PolarHBondContact OG-N 3.33Å; L194-D198 HydrophobicContact CB-CB 4.31Å; L194-D198 HydrophobicContact CD2-CB 4.46Å; L194-L199 HydrophobicContact CB-CB 4.17Å; L194-L199 HydrophobicContact CD1-CD1 4.22Å; L194-F202 HydrophobicContact CD1-CB 4.17Å; L194-F202 HydrophobicContact CD1-CG 4.39Å; L194-H220 PolarHBondContact O-CE1 2.88Å
195	T	88.3	Confident	84.8	Confident	12 Å²	12	23.8 Å²	23.8	7%	0.074	12%	0.121	C	C	.	.			trans	-59.5	154.4	163.3	71.4	0	0	0	0	110.1	S145 E147 L197 D198 L199	S145-T195 PolarHBondContact OG-N 3.44Å; E147-T195 HydrophobicContact CB-CG2 4.38Å; E147-T195 HydrophobicContact CG-CG2 4.43Å; E147-T195 VanDerWaalsContact OE2-CG2 3.28Å; E147-T195 WeakPolarHBondContact OE2-CG2 3.42Å; T195-L197 PolarHBondContact O-N 3.16Å; T195-L197 VanDerWaalsContact O-N 3.14Å; T195-D198 PolarHBondContact O-N 3Å; T195-D198 VanDerWaalsContact O-N 3.1Å; T195-D198 WeakPolarHBondContact OG1-CB 3.24Å; T195-D198 PolarHBondContact OG1-N 3.3Å; T195-D198 PolarHBondContact OG1-OD2 3.06Å; T195-L199 WeakPolarHBondContact O-CB 3.27Å; T195-L199 PolarHBondContact O-N 3.39Å
196	T	85.3	Confident	85.2	Confident	25 Å²	25	19 Å²	19	15%	0.153	10%	0.099	C	C	.	.	H	α-helix	trans	-56.6	-33.2	176.4	-42.7	0	0	0	0	111.7	S200 F231 Y234	T196-S200 PolarHBondContact O-N 3.35Å; T196-S200 VanDerWaalsContact O-N 3.15Å; T196-F231 HydrophobicContact CG2-CD2 3.74Å; T196-F231 HydrophobicContact CG2-CE2 4.01Å; T196-Y234 HydrophobicContact CG2-CD1 3.43Å; T196-Y234 VanDerWaalsContact CG2-CD1 3.43Å; T196-Y234 HydrophobicContact CG2-CE1 3.9Å; T196-Y234 HydrophobicContact CG2-CG 4.12Å
197	L	85.5	Confident	85.5	Confident	87 Å²	87	18 Å²	18	46%	0.455	9%	0.088	S	C	.	.	H	α-helix	trans	-65.4	-51.7	174.8	178.4	63.3	0	0	0	111.6	T195 L199 S200 K201 Y234	T195-L197 PolarHBondContact O-N 3.16Å; T195-L197 VanDerWaalsContact O-N 3.14Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.92Å; L197-S200 WeakPolarHBondContact O-CB 3.47Å; L197-S200 PolarHBondContact O-N 3.43Å; L197-S200 PolarHBondContact O-OG 2.9Å; L197-K201 PolarHBondContact O-N 3.45Å; L197-K201 VanDerWaalsContact O-N 3.16Å; L197-Y234 WeakPolarHBondContact CD1-OH 3.36Å
198	D	88.6	Confident	85.5	Confident	21 Å²	21	24.2 Å²	24.2	11%	0.112	12%	0.116	C	C	.	.	H	α-helix	trans	-70.9	-32.2	-177.1	-59.9	-35	0	0	0	112	L194 T195 S200 K201 F202	L194-D198 HydrophobicContact CB-CB 4.31Å; L194-D198 HydrophobicContact CD2-CB 4.46Å; T195-D198 PolarHBondContact O-N 3Å; T195-D198 VanDerWaalsContact O-N 3.1Å; T195-D198 WeakPolarHBondContact OG1-CB 3.24Å; T195-D198 PolarHBondContact OG1-N 3.3Å; T195-D198 PolarHBondContact OG1-OD2 3.06Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 2.87Å; D198-K201 PolarHBondContact O-N 3.03Å; D198-K201 IonicContact OD1-NZ 3.02Å; D198-K201 PolarHBondContact OD1-NZ 3.31Å; D198-F202 WeakPolarHBondContact O-CB 3.41Å; D198-F202 PolarHBondContact O-N 2.81Å
199	L	87.9	Confident	85	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.4	-44	170.1	-173.3	64.1	0	0	0	111.3	L194 T195 L197 K201 F202 F203 H220 F231	L194-L199 HydrophobicContact CB-CB 4.17Å; L194-L199 HydrophobicContact CD1-CD1 4.22Å; T195-L199 WeakPolarHBondContact O-CB 3.27Å; T195-L199 PolarHBondContact O-N 3.39Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.92Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.9Å; L199-F202 WeakPolarHBondContact O-CB 3.5Å; L199-F202 PolarHBondContact O-N 2.89Å; L199-F203 HydrophobicContact CD1-CD2 4.18Å; L199-F203 HydrophobicContact CD1-CE2 3.56Å; L199-F203 HydrophobicContact CD1-CZ 4.33Å; L199-F203 HydrophobicContact CD2-CE2 4.25Å; L199-F203 HydrophobicContact CG-CD2 4.03Å; L199-F203 HydrophobicContact CG-CE2 3.65Å; L199-F203 WeakPolarHBondContact O-CD2 3.36Å; L199-F203 PolarHBondContact O-N 3.35Å; L199-F203 VanDerWaalsContact O-N 3.1Å; L199-H220 HydrophobicContact CD2-CB 4.22Å; L199-F231 HydrophobicContact CD2-CE2 3.8Å; L199-F231 HydrophobicContact CD2-CZ 3.69Å
200	S	86.9	Confident	83.4	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-38	177.6	77.5	0	0	0	0	112.6	T196 L197 D198 F203 K204	T196-S200 PolarHBondContact O-N 3.35Å; T196-S200 VanDerWaalsContact O-N 3.15Å; L197-S200 WeakPolarHBondContact O-CB 3.47Å; L197-S200 PolarHBondContact O-N 3.43Å; L197-S200 PolarHBondContact O-OG 2.9Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 2.87Å; S200-F203 PolarHBondContact O-N 3.48Å; S200-K204 PolarHBondContact O-N 3.46Å
201	K	87.2	Confident	82	Confident	66 Å²	66	32.5 Å²	32.5	29%	0.287	17%	0.172	S	C	.	.	H	α-helix	trans	-66	-44.3	174.1	-65.4	171.4	-168.2	156.7	0	110.9	D175 G176 L197 D198 L199 F203 K204 T205	D175-K201 VanDerWaalsContact O-CD 3.28Å; D175-K201 WeakPolarHBondContact O-CD 3.37Å; G176-K201 CarbonylContact O-C 3.44Å; L197-K201 PolarHBondContact O-N 3.45Å; L197-K201 VanDerWaalsContact O-N 3.16Å; D198-K201 PolarHBondContact O-N 3.03Å; D198-K201 IonicContact OD1-NZ 3.02Å; D198-K201 PolarHBondContact OD1-NZ 3.31Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.9Å; K201-F203 VanDerWaalsContact C-N 3.28Å; K201-F203 PolarHBondContact O-N 3.06Å; K201-K204 WeakPolarHBondContact O-CB 3.27Å; K201-K204 PolarHBondContact O-N 3.17Å; K201-T205 PolarHBondContact O-N 2.85Å; K201-T205 PolarHBondContact O-OG1 3.28Å; K201-T205 VanDerWaalsContact O-OG1 3.06Å
202	F	86.6	Confident	80.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-53.5	-45.6	176.6	-175.7	-108.1	0	0	0	111.8	I143 G176 T180 I183 L190 L194 D198 L199 T205 L206 I218	I143-F202 HydrophobicContact CD1-CD1 4.31Å; I143-F202 HydrophobicContact CD1-CE1 3.97Å; I143-F202 HydrophobicContact CD1-CE2 4.39Å; I143-F202 HydrophobicContact CD1-CZ 4.02Å; G176-F202 VanDerWaalsContact O-CA 3.23Å; G176-F202 WeakPolarHBondContact O-CA 3.33Å; G176-F202 PolarHBondContact O-N 2.89Å; T180-F202 HydrophobicContact CG2-CD2 4.08Å; T180-F202 HydrophobicContact CG2-CE2 3.74Å; T180-F202 HydrophobicContact CG2-CZ 4.5Å; I183-F202 HydrophobicContact CD1-CE2 4.06Å; I183-F202 HydrophobicContact CG2-CE2 4.38Å; I183-F202 HydrophobicContact CG2-CZ 4.12Å; L190-F202 HydrophobicContact CD1-CE1 4.31Å; L190-F202 HydrophobicContact CD1-CZ 4.16Å; L194-F202 HydrophobicContact CD1-CB 4.17Å; L194-F202 HydrophobicContact CD1-CG 4.39Å; D198-F202 WeakPolarHBondContact O-CB 3.41Å; D198-F202 PolarHBondContact O-N 2.81Å; L199-F202 WeakPolarHBondContact O-CB 3.5Å; L199-F202 PolarHBondContact O-N 2.89Å; F202-T205 PolarHBondContact O-N 3.12Å; F202-L206 HydrophobicContact CD1-CD1 3.74Å; F202-L206 HydrophobicContact CD1-CG 4.33Å; F202-L206 HydrophobicContact CE1-CD1 3.49Å; F202-L206 VanDerWaalsContact CE1-CD1 3.49Å; F202-L206 HydrophobicContact CE1-CD2 4.43Å; F202-L206 HydrophobicContact CE1-CG 4.12Å; F202-L206 HydrophobicContact CZ-CD1 4.17Å; F202-L206 HydrophobicContact CZ-CD2 4.31Å; F202-L206 HydrophobicContact CZ-CG 4.37Å; F202-L206 WeakPolarHBondContact O-CG 3.35Å; F202-L206 PolarHBondContact O-N 3.25Å; F202-I218 HydrophobicContact CE1-CD1 4.16Å
203	F	84.8	Confident	78.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-35.4	176.2	-77.5	-66.6	0	0	0	114.5	L199 S200 K201 T205 L206 K207 I218 L251 L254 Y255 V258	L199-F203 HydrophobicContact CD1-CD2 4.18Å; L199-F203 HydrophobicContact CD1-CE2 3.56Å; L199-F203 HydrophobicContact CD1-CZ 4.33Å; L199-F203 HydrophobicContact CD2-CE2 4.25Å; L199-F203 HydrophobicContact CG-CD2 4.03Å; L199-F203 HydrophobicContact CG-CE2 3.65Å; L199-F203 WeakPolarHBondContact O-CD2 3.36Å; L199-F203 PolarHBondContact O-N 3.35Å; L199-F203 VanDerWaalsContact O-N 3.1Å; S200-F203 PolarHBondContact O-N 3.48Å; K201-F203 VanDerWaalsContact C-N 3.28Å; K201-F203 PolarHBondContact O-N 3.06Å; F203-T205 VanDerWaalsContact C-N 3.31Å; F203-L206 HydrophobicContact CD1-CD1 3.76Å; F203-L206 HydrophobicContact CE1-CD1 4.02Å; F203-L206 PolarHBondContact O-N 3.23Å; F203-K207 WeakPolarHBondContact O-CB 3.28Å; F203-K207 PolarHBondContact O-N 3.43Å; F203-I218 HydrophobicContact CE1-CD1 3.52Å; F203-I218 HydrophobicContact CZ-CD1 3.49Å; F203-I218 VanDerWaalsContact CZ-CD1 3.49Å; F203-I218 HydrophobicContact CZ-CG2 4.49Å; F203-L251 HydrophobicContact CB-CD2 4.15Å; F203-L254 HydrophobicContact CD1-CB 4.04Å; F203-L254 HydrophobicContact CE1-CB 4.34Å; F203-Y255 HydrophobicContact CB-CD1 4.36Å; F203-Y255 HydrophobicContact CB-CE1 3.48Å; F203-Y255 VanDerWaalsContact CB-CE1 3.48Å; F203-Y255 HydrophobicContact CD1-CD1 4.31Å; F203-Y255 HydrophobicContact CD1-CE1 4.22Å; F203-Y255 AromaticContact CD2-CD1 3.84Å; F203-Y255 HydrophobicContact CD2-CD1 3.84Å; F203-Y255 AromaticContact CD2-CE1 3.45Å; F203-Y255 HydrophobicContact CD2-CE1 3.45Å; F203-Y255 VanDerWaalsContact CD2-CE1 3.45Å; F203-Y255 HydrophobicContact CE2-CD1 4.21Å; F203-Y255 HydrophobicContact CE2-CE1 4.26Å; F203-Y255 AromaticContact CG-CD1 3.92Å; F203-Y255 HydrophobicContact CG-CD1 3.92Å; F203-Y255 AromaticContact CG-CE1 3.45Å; F203-Y255 HydrophobicContact CG-CE1 3.45Å; F203-Y255 VanDerWaalsContact CG-CE1 3.45Å; F203-V258 HydrophobicContact CE1-CG2 3.9Å; F203-V258 HydrophobicContact CE2-CG2 3.8Å; F203-V258 HydrophobicContact CZ-CG2 3.19Å
204	K	83.2	Confident	77	Confident	56 Å²	56	46.4 Å²	46.4	24%	0.243	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-41.8	172.9	-72.4	177.6	-178.3	176.3	0	110.6	S200 K201 K207 E208 N238	S200-K204 PolarHBondContact O-N 3.46Å; K201-K204 WeakPolarHBondContact O-CB 3.27Å; K201-K204 PolarHBondContact O-N 3.17Å; K204-K207 WeakPolarHBondContact O-CB 3.43Å; K204-K207 PolarHBondContact O-N 3.42Å; K204-E208 WeakPolarHBondContact O-CG 3.36Å; K204-E208 PolarHBondContact O-N 3.44Å; K204-N238 PolarHBondContact NZ-OD1 3.38Å
205	T	80.6	Confident	76	Confident	16 Å²	16	47.4 Å²	47.4	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-38.8	176.5	-43.3	0	0	0	0	112.4	G176 T180 K201 F202 F203 K207 E208 N209	G176-T205 PolarHBondContact O-OG1 3.44Å; T180-T205 HydrophobicContact CG2-CG2 3.86Å; T180-T205 WeakPolarHBondContact OG1-CG2 3.43Å; K201-T205 PolarHBondContact O-N 2.85Å; K201-T205 PolarHBondContact O-OG1 3.28Å; K201-T205 VanDerWaalsContact O-OG1 3.06Å; F202-T205 PolarHBondContact O-N 3.12Å; F203-T205 VanDerWaalsContact C-N 3.31Å; T205-K207 VanDerWaalsContact C-N 3.34Å; T205-K207 PolarHBondContact O-N 3.07Å; T205-E208 PolarHBondContact O-N 2.93Å; T205-N209 PolarHBondContact O-N 3.48Å; T205-N209 PolarHBondContact O-ND2 3.38Å
206	L	78	Confident	75.3	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-43.2	175.2	-73.9	173.6	0	0	0	112.9	T180 L184 F202 F203 E208 I218	T180-L206 HydrophobicContact CG2-CD2 4.23Å; L184-L206 HydrophobicContact CD1-CD2 3.49Å; L184-L206 VanDerWaalsContact CD1-CD2 3.49Å; L184-L206 HydrophobicContact CD2-CD2 3.11Å; L184-L206 HydrophobicContact CG-CD2 3.76Å; F202-L206 HydrophobicContact CD1-CD1 3.74Å; F202-L206 HydrophobicContact CD1-CG 4.33Å; F202-L206 HydrophobicContact CE1-CD1 3.49Å; F202-L206 VanDerWaalsContact CE1-CD1 3.49Å; F202-L206 HydrophobicContact CE1-CD2 4.43Å; F202-L206 HydrophobicContact CE1-CG 4.12Å; F202-L206 HydrophobicContact CZ-CD1 4.17Å; F202-L206 HydrophobicContact CZ-CD2 4.31Å; F202-L206 HydrophobicContact CZ-CG 4.37Å; F202-L206 WeakPolarHBondContact O-CG 3.35Å; F202-L206 PolarHBondContact O-N 3.25Å; F203-L206 HydrophobicContact CD1-CD1 3.76Å; F203-L206 HydrophobicContact CE1-CD1 4.02Å; F203-L206 PolarHBondContact O-N 3.23Å; L206-E208 VanDerWaalsContact C-N 3.31Å; L206-E208 PolarHBondContact O-N 3.26Å; L206-I218 HydrophobicContact CD1-CD1 4.33Å
207	K	76.9	Confident	75.1	Confident	31 Å²	31	46.8 Å²	46.8	14%	0.135	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-40.6	177.7	175.8	-150.2	83.1	-176.8	0	111.8	F203 K204 T205 E242 L251 L254	F203-K207 WeakPolarHBondContact O-CB 3.28Å; F203-K207 PolarHBondContact O-N 3.43Å; K204-K207 WeakPolarHBondContact O-CB 3.43Å; K204-K207 PolarHBondContact O-N 3.42Å; T205-K207 VanDerWaalsContact C-N 3.34Å; T205-K207 PolarHBondContact O-N 3.07Å; K207-E242 VanDerWaalsContact NZ-CD 3.35Å; K207-E242 IonicContact NZ-OE1 3.32Å; K207-E242 PolarHBondContact NZ-OE1 2.85Å; K207-E242 IonicContact NZ-OE2 2.68Å; K207-L251 HydrophobicContact CB-CD2 4.08Å; K207-L251 HydrophobicContact CB-CG 4.42Å; K207-L251 HydrophobicContact CD-CD1 3.79Å; K207-L251 HydrophobicContact CD-CD2 4.08Å; K207-L251 HydrophobicContact CD-CG 3.66Å; K207-L251 HydrophobicContact CG-CD2 4.43Å; K207-L251 HydrophobicContact CG-CG 4.22Å; K207-L254 HydrophobicContact CB-CD1 4.46Å
208	E	73.7	Confident	75.2	Confident	134 Å²	134	42.9 Å²	42.9	63%	0.626	21%	0.213	S	C	*	.	H	α-helix	trans	-72.1	-37.2	-176.5	-73.2	175.6	-175.1	0	0	112.9	K204 T205 L206 A210	K204-E208 WeakPolarHBondContact O-CG 3.36Å; K204-E208 PolarHBondContact O-N 3.44Å; T205-E208 PolarHBondContact O-N 2.93Å; L206-E208 VanDerWaalsContact C-N 3.31Å; L206-E208 PolarHBondContact O-N 3.26Å; E208-A210 PolarHBondContact O-N 3.02Å
209	N	68.5	Low	75.4	Confident	79 Å²	79	42 Å²	42	42%	0.422	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	18.3	-179.7	-67.8	-41.4	0	0	0	114.4	T205 F211	T205-N209 PolarHBondContact O-N 3.48Å; T205-N209 PolarHBondContact O-ND2 3.38Å; N209-F211 VanDerWaalsContact C-N 3.31Å; N209-F211 HydrophobicContact CB-CD2 3.96Å; N209-F211 HydrophobicContact CB-CE2 3.96Å; N209-F211 VanDerWaalsContact O-CD2 3.23Å; N209-F211 WeakPolarHBondContact O-CD2 3.37Å; N209-F211 WeakPolarHBondContact O-CE2 3.49Å; N209-F211 PolarHBondContact O-N 3.02Å
210	A	52.3	Low	75.6	Confident	80 Å²	80	42.1 Å²	42.1	66%	0.661	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	19.8	168.2	0	0	0	0	0	117.7	E208	E208-A210 PolarHBondContact O-N 3.02Å
211	F	59.4	Low	75.8	Confident	58 Å²	58	42.1 Å²	42.1	25%	0.254	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-73.8	145.3	177.5	-73.1	-81	0	0	0	112.8	L184 N209 E215 F216	L184-F211 HydrophobicContact CD1-CD2 3.87Å; L184-F211 HydrophobicContact CD1-CE2 3.72Å; L184-F211 HydrophobicContact CD1-CZ 4.45Å; N209-F211 VanDerWaalsContact C-N 3.31Å; N209-F211 HydrophobicContact CB-CD2 3.96Å; N209-F211 HydrophobicContact CB-CE2 3.96Å; N209-F211 VanDerWaalsContact O-CD2 3.23Å; N209-F211 WeakPolarHBondContact O-CD2 3.37Å; N209-F211 WeakPolarHBondContact O-CE2 3.49Å; N209-F211 PolarHBondContact O-N 3.02Å; F211-E215 WeakPolarHBondContact CD1-OE2 3.44Å; F211-F216 HydrophobicContact CB-CE2 4.41Å; F211-F216 HydrophobicContact CD1-CE2 4.34Å; F211-F216 HydrophobicContact CG-CE2 4.44Å
212	R	59.4	Low	75.7	Confident	176 Å²	176	39.5 Å²	39.5	66%	0.664	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-71.7	133.4	-177	-62.9	177.8	178	-179.3	2.1	109.7	L214 E215	R212-L214 PolarHBondContact O-N 2.68Å; R212-E215 HydrophobicContact CB-CG 4.19Å; R212-E215 WeakPolarHBondContact CB-OE1 3.22Å; R212-E215 PolarHBondContact N-OE1 3.03Å; R212-E215 PolarHBondContact O-N 2.99Å
213	P	54.8	Low	75.3	Confident	31 Å²	31	41.8 Å²	41.8	20%	0.201	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	127.1	164.3	-13.6	25.9	0	0	0	107.1	K253 L254	P213-K253 HydrophobicContact CB-CD 3.87Å; P213-K253 HydrophobicContact CB-CG 4.01Å; P213-K253 HydrophobicContact CG-CD 4.09Å; P213-L254 HydrophobicContact CB-CD2 4.19Å
214	L	58.2	Low	74.6	Confident	85 Å²	85	45.8 Å²	45.8	45%	0.445	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	6.9	-173.4	-55.5	154.1	0	0	0	116.5	R212 H257 P392	R212-L214 PolarHBondContact O-N 2.68Å; L214-H257 WeakPolarHBondContact CD2-NE2 3.27Å; L214-P392 VanDerWaalsContact C-CG 3.5Å; L214-P392 HydrophobicContact CB-CG 4.28Å; L214-P392 WeakPolarHBondContact O-CB 3.12Å; L214-P392 WeakPolarHBondContact O-CG 3.26Å
215	E	69.4	Low	73.9	Confident	26 Å²	26	47.2 Å²	47.2	12%	0.121	24%	0.241	C	C	.	.	S	Bend	trans	-88.3	-16.4	173	-76.6	-178.8	-145.4	0	0	114.5	R188 F211 R212 Y400	R188-E215 IonicContact CZ-OE2 2.67Å; R188-E215 IonicContact NH1-OE2 3.14Å; R188-E215 PolarHBondContact NH1-OE2 3.34Å; F211-E215 WeakPolarHBondContact CD1-OE2 3.44Å; R212-E215 HydrophobicContact CB-CG 4.19Å; R212-E215 WeakPolarHBondContact CB-OE1 3.22Å; R212-E215 PolarHBondContact N-OE1 3.03Å; R212-E215 PolarHBondContact O-N 2.99Å; E215-Y400 HydrophobicContact CB-CD1 4.39Å; E215-Y400 HydrophobicContact CG-CD1 4.16Å
216	F	75	Confident	73.5	Confident	22 Å²	22	47.6 Å²	47.6	10%	0.096	24%	0.244	C	C	.	.			trans	-133.2	136.1	-173.1	-59.4	-88.7	0	0	0	111.4	L184 A187 R188 L190 F211	L184-F216 HydrophobicContact CB-CE1 4.27Å; L184-F216 HydrophobicContact CB-CZ 3.91Å; L184-F216 HydrophobicContact CD2-CD1 4.03Å; L184-F216 HydrophobicContact CD2-CD2 4.09Å; L184-F216 HydrophobicContact CD2-CE1 3.51Å; L184-F216 HydrophobicContact CD2-CE2 3.57Å; L184-F216 HydrophobicContact CD2-CG 4.31Å; L184-F216 HydrophobicContact CD2-CZ 3.25Å; L184-F216 HydrophobicContact CG-CZ 4.18Å; L184-F216 WeakPolarHBondContact O-CE1 3.43Å; A187-F216 WeakPolarHBondContact O-CE1 3.14Å; R188-F216 VanDerWaalsContact CD-CE1 3.46Å; R188-F216 VanDerWaalsContact O-CA 3.25Å; R188-F216 WeakPolarHBondContact O-CA 3.23Å; L190-F216 HydrophobicContact CD1-CD1 4.46Å; F211-F216 HydrophobicContact CB-CE2 4.41Å; F211-F216 HydrophobicContact CD1-CE2 4.34Å; F211-F216 HydrophobicContact CG-CE2 4.44Å
217	S	80.9	Confident	73.4	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.4	169.8	-71.5	0	0	0	0	108.4	R188 A189 L190 P392	R188-S217 PolarHBondContact O-N 3.41Å; A189-S217 CarbonylContact C-O 3.53Å; A189-S217 WeakPolarHBondContact CA-O 3.43Å; L190-S217 PolarHBondContact N-O 3.08Å; S217-P392 WeakPolarHBondContact OG-CD 3.19Å; S217-P392 VanDerWaalsContact OG-N 3.15Å; S217-P392 PolarHBondContact OG-O 3.05Å
218	I	87.4	Confident	73.6	Confident	5 Å²	5	52 Å²	52	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.7	-178.4	-59.3	171.7	0	0	0	108.9	L190 F202 F203 L206 V258 A259	L190-I218 HydrophobicContact CB-CG1 4.21Å; L190-I218 HydrophobicContact CD1-CG1 4.26Å; L190-I218 WeakPolarHBondContact O-CA 3.42Å; F202-I218 HydrophobicContact CE1-CD1 4.16Å; F203-I218 HydrophobicContact CE1-CD1 3.52Å; F203-I218 HydrophobicContact CZ-CD1 3.49Å; F203-I218 VanDerWaalsContact CZ-CD1 3.49Å; F203-I218 HydrophobicContact CZ-CG2 4.49Å; L206-I218 HydrophobicContact CD1-CD1 4.33Å; I218-V258 HydrophobicContact CG2-CG1 4.35Å; I218-V258 WeakPolarHBondContact O-CA 3.4Å; I218-A259 PolarHBondContact O-N 3.44Å
219	V	92	Very high	73.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.8	170.2	-176.7	0	0	0	0	107.8	M131 W137 L190 I191 S192 A259 L261	M131-V219 HydrophobicContact CE-CB 4.16Å; M131-V219 HydrophobicContact CE-CG1 4.04Å; M131-V219 HydrophobicContact CE-CG2 3.91Å; M131-V219 HydrophobicContact SD-CB 4.34Å; M131-V219 HydrophobicContact SD-CG1 3.8Å; M131-V219 HydrophobicContact SD-CG2 3.9Å; W137-V219 HydrophobicContact CH2-CG2 3.78Å; W137-V219 HydrophobicContact CZ3-CG2 3.81Å; L190-V219 PolarHBondContact O-N 3.42Å; I191-V219 CarbonylContact C-O 3.53Å; I191-V219 WeakPolarHBondContact CA-O 3.34Å; I191-V219 HydrophobicContact CD1-CB 3.99Å; I191-V219 HydrophobicContact CD1-CG2 4.47Å; S192-V219 PolarHBondContact N-O 3.21Å; V219-A259 CarbonylContact C-O 3.6Å; V219-A259 WeakPolarHBondContact CA-O 3.45Å; V219-A259 HydrophobicContact CG2-CB 4.38Å; V219-L261 HydrophobicContact CG1-CB 3.84Å; V219-L261 HydrophobicContact CG1-CD2 4.31Å
220	H	93.2	Very high	74.5	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.1	177.3	-178.1	47.1	0	0	0	110.2	S192 L194 L199 F231 V258 A259 L261	S192-H220 WeakPolarHBondContact O-CA 3.43Å; S192-H220 PolarHBondContact O-ND1 2.89Å; S192-H220 PolarHBondContact OG-ND1 3Å; L194-H220 PolarHBondContact O-CE1 2.88Å; L199-H220 HydrophobicContact CD2-CB 4.22Å; H220-F231 AromaticContact CD2-CE2 3.29Å; H220-F231 WeakPolarHBondContact CD2-CE2 3.43Å; H220-F231 AromaticContact CD2-CZ 3.55Å; H220-F231 AromaticContact NE2-CE2 3.76Å; H220-V258 HydrophobicContact CB-CG1 4.29Å; H220-A259 PolarHBondContact N-O 3.4Å; H220-L261 PolarHBondContact O-N 3.29Å
221	V	91.5	Very high	76.1	Confident	2 Å²	2	45 Å²	45	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.5	178.6	-173.3	0	0	0	0	108.7	T124 I128 I191 S192 F193 C223 L261	T124-V221 HydrophobicContact CG2-CG1 4.24Å; I128-V221 HydrophobicContact CD1-CG2 4.34Å; I191-V221 HydrophobicContact CG2-CG2 3.82Å; S192-V221 PolarHBondContact O-N 3.23Å; F193-V221 HydrophobicContact CD1-CB 3.94Å; F193-V221 HydrophobicContact CD1-CG1 4.36Å; F193-V221 HydrophobicContact CE1-CB 3.67Å; F193-V221 HydrophobicContact CE1-CG1 3.82Å; F193-V221 HydrophobicContact CE1-CG2 3.96Å; F193-V221 HydrophobicContact CZ-CB 4.34Å; F193-V221 HydrophobicContact CZ-CG2 4.13Å; V221-C223 PolarHBondContact O-N 3.33Å; V221-C223 VanDerWaalsContact O-N 3.17Å; V221-L261 WeakPolarHBondContact CA-O 3.34Å; V221-L261 HydrophobicContact CG2-CD2 4.28Å
222	D	85.2	Confident	77.4	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.053	21%	0.214	C	C	.	.			trans	-70.1	113	-178.4	-171.9	4	0	0	0	110.8	N224 K225 S226 L260 L261 K262	D222-N224 PolarHBondContact OD1-N 3.02Å; D222-K225 PolarHBondContact OD1-N 3Å; D222-S226 PolarHBondContact OD2-N 3.45Å; D222-S226 PolarHBondContact OD2-OG 3.27Å; D222-L260 HydrophobicContact CB-CD1 4.1Å; D222-L261 PolarHBondContact N-O 3.16Å; D222-K262 HydrophobicContact CB-CG 4.44Å
223	C	76.2	Confident	78.6	Confident	48 Å²	48	36.9 Å²	36.9	32%	0.324	20%	0.2	S	C	.	.			trans	-99.8	-15.2	174.8	-63.1	0	0	0	0	112.8	T148 V221	T148-C223 HydrophobicContact CG2-CB 4.23Å; V221-C223 PolarHBondContact O-N 3.33Å; V221-C223 VanDerWaalsContact O-N 3.17Å
224	N	70.5	Confident	80	Confident	87 Å²	87	39.2 Å²	39.2	47%	0.465	21%	0.206	S	C	.	.	S	Bend	trans	-100.7	5.4	-171	-74.6	1.4	0	0	0	113	D222 S226	D222-N224 PolarHBondContact OD1-N 3.02Å; N224-S226 PolarHBondContact O-N 2.74Å
225	K	70	Confident	81.2	Confident	85 Å²	85	35.3 Å²	35.3	37%	0.37	19%	0.185	S	C	.	.			trans	57	38.3	176.3	-50.3	-177.4	175.6	-120.1	0	112.3	H119 D222 D266	H119-K225 PolarHBondContact NE2-NZ 3.24Å; D222-K225 PolarHBondContact OD1-N 3Å; K225-D266 HydrophobicContact CB-CB 4.32Å; K225-D266 WeakPolarHBondContact CE-OD1 3.16Å; K225-D266 HydrophobicContact CG-CB 4.29Å; K225-D266 IonicContact NZ-OD1 2.74Å; K225-D266 PolarHBondContact NZ-OD1 2.73Å
226	S	70.6	Confident	81.8	Confident	24 Å²	24	36.4 Å²	36.4	17%	0.168	19%	0.192	C	C	.	.			trans	-71.8	148.6	-178.8	64.1	0	0	0	0	111.2	D222 N224 I228 K262	D222-S226 PolarHBondContact OD2-N 3.45Å; D222-S226 PolarHBondContact OD2-OG 3.27Å; N224-S226 PolarHBondContact O-N 2.74Å; S226-I228 PolarHBondContact O-N 3.44Å; S226-K262 WeakPolarHBondContact O-CE 3.17Å; S226-K262 PolarHBondContact O-NZ 2.9Å
227	E	76.8	Confident	82.3	Confident	111 Å²	111	40 Å²	40	52%	0.519	21%	0.212	S	C	.	.			trans	-64.6	136.9	166.5	-68.1	179.3	177.9	0	0	109.2	S229 N230 F231	E227-S229 PolarHBondContact O-N 3.21Å; E227-N230 HydrophobicContact CB-CB 4.15Å; E227-N230 PolarHBondContact O-N 3.45Å; E227-N230 PolarHBondContact OE2-ND2 3.48Å; E227-F231 PolarHBondContact O-N 3.33Å
228	I	81.7	Confident	82.4	Confident	22 Å²	22	40.6 Å²	40.6	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-40.5	-176.8	-61.8	166	0	0	0	110.5	S226 Y232 L260 K262 E347 H349 A356	S226-I228 PolarHBondContact O-N 3.44Å; I228-Y232 HydrophobicContact CG2-CD2 4.17Å; I228-Y232 HydrophobicContact CG2-CE2 4.09Å; I228-Y232 WeakPolarHBondContact O-CD2 3.27Å; I228-Y232 PolarHBondContact O-N 2.95Å; I228-L260 HydrophobicContact CB-CD2 4.45Å; I228-L260 HydrophobicContact CG1-CD2 4.26Å; I228-L260 HydrophobicContact CG2-CD2 4.12Å; I228-K262 HydrophobicContact CD1-CD 4.15Å; I228-K262 HydrophobicContact CG1-CD 3.69Å; I228-E347 WeakPolarHBondContact CD1-OE1 3.3Å; I228-H349 HydrophobicContact CG2-CB 4.25Å; I228-A356 HydrophobicContact CG2-CB 3.44Å; I228-A356 VanDerWaalsContact CG2-CB 3.44Å
229	S	78.9	Confident	82	Confident	56 Å²	56	40.4 Å²	40.4	39%	0.392	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-46.9	174.3	47.5	0	0	0	0	111.7	E227 T233	E227-S229 PolarHBondContact O-N 3.21Å; S229-T233 WeakPolarHBondContact O-CB 3.43Å; S229-T233 PolarHBondContact O-N 3.36Å; S229-T233 PolarHBondContact O-OG1 2.8Å
230	N	82.1	Confident	81.5	Confident	89 Å²	89	42.6 Å²	42.6	48%	0.476	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-38.4	-176.1	-66.8	-20.8	0	0	0	111.7	E227 Y234	E227-N230 HydrophobicContact CB-CB 4.15Å; E227-N230 PolarHBondContact O-N 3.45Å; E227-N230 PolarHBondContact OE2-ND2 3.48Å; N230-Y234 WeakPolarHBondContact O-CB 3.02Å; N230-Y234 PolarHBondContact O-N 3.23Å
231	F	85.3	Confident	81.1	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-55.2	175.2	173.4	-100.4	0	0	0	111.9	T196 L199 H220 E227 Y234 L235 L260	T196-F231 HydrophobicContact CG2-CD2 3.74Å; T196-F231 HydrophobicContact CG2-CE2 4.01Å; L199-F231 HydrophobicContact CD2-CE2 3.8Å; L199-F231 HydrophobicContact CD2-CZ 3.69Å; H220-F231 AromaticContact CD2-CE2 3.29Å; H220-F231 WeakPolarHBondContact CD2-CE2 3.43Å; H220-F231 AromaticContact CD2-CZ 3.55Å; H220-F231 AromaticContact NE2-CE2 3.76Å; E227-F231 PolarHBondContact O-N 3.33Å; F231-Y234 PolarHBondContact O-N 2.89Å; F231-L235 HydrophobicContact CD1-CD1 4.31Å; F231-L235 HydrophobicContact CE1-CD1 3.64Å; F231-L235 HydrophobicContact CE2-CD1 4.29Å; F231-L235 HydrophobicContact CZ-CD1 3.63Å; F231-L235 PolarHBondContact O-N 3.18Å; F231-L260 HydrophobicContact CB-CD2 4.35Å; F231-L260 HydrophobicContact CD1-CB 4.44Å; F231-L260 HydrophobicContact CD1-CD1 4.08Å; F231-L260 HydrophobicContact CD1-CD2 3.91Å; F231-L260 HydrophobicContact CD1-CG 4.38Å; F231-L260 HydrophobicContact CD2-CD1 4.32Å; F231-L260 HydrophobicContact CE1-CB 4.27Å; F231-L260 HydrophobicContact CE1-CD1 4.05Å; F231-L260 HydrophobicContact CE2-CD1 4.3Å; F231-L260 HydrophobicContact CG-CD1 4.21Å; F231-L260 HydrophobicContact CG-CD2 4.19Å; F231-L260 HydrophobicContact CZ-CD1 4.16Å
232	Y	86.5	Confident	80.6	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-74.5	-33.8	-177.1	-72.2	-65	0	0	0	113.4	I228 Y234 L235 D236 L260 H349 M350 W351 A356	I228-Y232 HydrophobicContact CG2-CD2 4.17Å; I228-Y232 HydrophobicContact CG2-CE2 4.09Å; I228-Y232 WeakPolarHBondContact O-CD2 3.27Å; I228-Y232 PolarHBondContact O-N 2.95Å; Y232-Y234 VanDerWaalsContact C-N 3.28Å; Y232-Y234 PolarHBondContact O-N 2.96Å; Y232-L235 HydrophobicContact CD1-CD1 4.41Å; Y232-L235 PolarHBondContact O-N 2.99Å; Y232-D236 PolarHBondContact O-N 3.47Å; Y232-L260 HydrophobicContact CE2-CB 4.23Å; Y232-L260 HydrophobicContact CE2-CD2 4.21Å; Y232-L260 WeakPolarHBondContact OH-CB 3.45Å; Y232-L260 PolarHBondContact OH-N 3.48Å; Y232-H349 HydrophobicContact CE2-CB 4.36Å; Y232-H349 PolarHBondContact OH-O 3.03Å; Y232-M350 WeakPolarHBondContact OH-CA 3.37Å; Y232-W351 HydrophobicContact CD1-CB 3.6Å; Y232-W351 HydrophobicContact CD1-CD2 4.01Å; Y232-W351 AromaticContact CD1-CE3 3.9Å; Y232-W351 HydrophobicContact CD1-CE3 3.9Å; Y232-W351 AromaticContact CD1-CG 3.94Å; Y232-W351 HydrophobicContact CD1-CG 3.94Å; Y232-W351 HydrophobicContact CD2-CD2 4.49Å; Y232-W351 AromaticContact CD2-CE3 3.58Å; Y232-W351 HydrophobicContact CD2-CE3 3.58Å; Y232-W351 HydrophobicContact CD2-CZ3 4.02Å; Y232-W351 HydrophobicContact CE1-CB 3.65Å; Y232-W351 HydrophobicContact CE1-CG 4.48Å; Y232-W351 HydrophobicContact CE2-CE3 4.42Å; Y232-W351 HydrophobicContact CG-CB 4.2Å; Y232-W351 AromaticContact CG-CD2 3.81Å; Y232-W351 HydrophobicContact CG-CD2 3.81Å; Y232-W351 AromaticContact CG-CE3 3.26Å; Y232-W351 HydrophobicContact CG-CE3 3.26Å; Y232-W351 HydrophobicContact CG-CG 4.24Å; Y232-W351 AromaticContact CG-CZ3 3.79Å; Y232-W351 HydrophobicContact CG-CZ3 3.79Å; Y232-A356 HydrophobicContact CD2-CB 3.78Å; Y232-A356 HydrophobicContact CE2-CB 3.93Å
233	T	83.9	Confident	80.5	Confident	60 Å²	60	56.2 Å²	56.2	37%	0.368	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-39.7	174.1	-56.7	0	0	0	0	110.6	S229 D236 N237	S229-T233 WeakPolarHBondContact O-CB 3.43Å; S229-T233 PolarHBondContact O-N 3.36Å; S229-T233 PolarHBondContact O-OG1 2.8Å; T233-D236 PolarHBondContact O-N 3.14Å; T233-N237 VanDerWaalsContact O-CB 3.27Å; T233-N237 WeakPolarHBondContact O-CB 3.42Å; T233-N237 PolarHBondContact O-N 3.43Å; T233-N237 PolarHBondContact O-ND2 3.25Å
234	Y	84.8	Confident	80.8	Confident	81 Å²	81	57.6 Å²	57.6	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-42.3	174.6	179.5	-90.9	0	0	0	112.4	T196 L197 N230 F231 Y232 N238	T196-Y234 HydrophobicContact CG2-CD1 3.43Å; T196-Y234 VanDerWaalsContact CG2-CD1 3.43Å; T196-Y234 HydrophobicContact CG2-CE1 3.9Å; T196-Y234 HydrophobicContact CG2-CG 4.12Å; L197-Y234 WeakPolarHBondContact CD1-OH 3.36Å; N230-Y234 WeakPolarHBondContact O-CB 3.02Å; N230-Y234 PolarHBondContact O-N 3.23Å; F231-Y234 PolarHBondContact O-N 2.89Å; Y232-Y234 VanDerWaalsContact C-N 3.28Å; Y232-Y234 PolarHBondContact O-N 2.96Å; Y234-N238 WeakPolarHBondContact CD1-ND2 3.26Å; Y234-N238 WeakPolarHBondContact CE1-ND2 3.33Å; Y234-N238 WeakPolarHBondContact O-CB 3.12Å; Y234-N238 PolarHBondContact O-N 3.46Å; Y234-N238 PolarHBondContact O-ND2 3.45Å; Y234-N238 VanDerWaalsContact O-ND2 3.07Å; Y234-N238 PolarHBondContact OH-ND2 3.42Å
235	L	83.4	Confident	81.4	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-44.1	175.8	-67.4	179	0	0	0	111.9	F231 Y232 N238 A239 Y255	F231-L235 HydrophobicContact CD1-CD1 4.31Å; F231-L235 HydrophobicContact CE1-CD1 3.64Å; F231-L235 HydrophobicContact CE2-CD1 4.29Å; F231-L235 HydrophobicContact CZ-CD1 3.63Å; F231-L235 PolarHBondContact O-N 3.18Å; Y232-L235 HydrophobicContact CD1-CD1 4.41Å; Y232-L235 PolarHBondContact O-N 2.99Å; L235-N238 WeakPolarHBondContact O-CB 3.5Å; L235-N238 PolarHBondContact O-N 3.17Å; L235-A239 PolarHBondContact O-N 3.33Å; L235-Y255 HydrophobicContact CB-CD1 4.49Å; L235-Y255 HydrophobicContact CB-CD2 4.01Å; L235-Y255 HydrophobicContact CB-CE2 4.08Å; L235-Y255 HydrophobicContact CB-CG 4.23Å; L235-Y255 HydrophobicContact CD1-CD1 4.34Å; L235-Y255 HydrophobicContact CD2-CD1 4.49Å; L235-Y255 HydrophobicContact CD2-CE1 4.1Å; L235-Y255 WeakPolarHBondContact O-CE2 3.44Å
236	D	82.6	Confident	81.9	Confident	49 Å²	49	59.5 Å²	59.5	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-37	-179.9	-158.2	22.4	0	0	0	112.3	Y232 T233 A239 G240 R252	Y232-D236 PolarHBondContact O-N 3.47Å; T233-D236 PolarHBondContact O-N 3.14Å; D236-A239 PolarHBondContact O-N 3.31Å; D236-G240 PolarHBondContact O-N 3.23Å; D236-R252 IonicContact OD1-CZ 3.75Å; D236-R252 IonicContact OD1-NE 2.74Å; D236-R252 PolarHBondContact OD1-NE 2.89Å
237	N	84.1	Confident	82.3	Confident	99 Å²	99	59 Å²	59	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-45.3	170.5	-74.1	-15.3	0	0	0	111	T233 A239 G240 E241	T233-N237 VanDerWaalsContact O-CB 3.27Å; T233-N237 WeakPolarHBondContact O-CB 3.42Å; T233-N237 PolarHBondContact O-N 3.43Å; T233-N237 PolarHBondContact O-ND2 3.25Å; N237-A239 VanDerWaalsContact C-N 3.29Å; N237-A239 PolarHBondContact O-N 3.04Å; N237-G240 WeakPolarHBondContact O-CA 3.47Å; N237-G240 PolarHBondContact O-N 3.48Å; N237-E241 PolarHBondContact O-N 2.91Å
238	N	83.1	Confident	82.6	Confident	14 Å²	14	54 Å²	54	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-33.6	174.9	-95.6	-69.2	0	0	0	113.4	K204 Y234 L235 G240	K204-N238 PolarHBondContact NZ-OD1 3.38Å; Y234-N238 WeakPolarHBondContact CD1-ND2 3.26Å; Y234-N238 WeakPolarHBondContact CE1-ND2 3.33Å; Y234-N238 WeakPolarHBondContact O-CB 3.12Å; Y234-N238 PolarHBondContact O-N 3.46Å; Y234-N238 PolarHBondContact O-ND2 3.45Å; Y234-N238 VanDerWaalsContact O-ND2 3.07Å; Y234-N238 PolarHBondContact OH-ND2 3.42Å; L235-N238 WeakPolarHBondContact O-CB 3.5Å; L235-N238 PolarHBondContact O-N 3.17Å; N238-G240 VanDerWaalsContact C-N 3.34Å
239	A	80.8	Confident	82.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72.5	-28.2	170.6	0	0	0	0	0	112.5	L235 D236 N237 E242 A248 L251 R252 Y255	L235-A239 PolarHBondContact O-N 3.33Å; D236-A239 PolarHBondContact O-N 3.31Å; N237-A239 VanDerWaalsContact C-N 3.29Å; N237-A239 PolarHBondContact O-N 3.04Å; A239-E242 VanDerWaalsContact O-CB 3.28Å; A239-E242 WeakPolarHBondContact O-CB 3.21Å; A239-E242 PolarHBondContact O-N 3.47Å; A239-A248 WeakPolarHBondContact O-CB 3.26Å; A239-L251 HydrophobicContact CB-CB 4.15Å; A239-R252 HydrophobicContact CB-CG 3.81Å; A239-Y255 HydrophobicContact CB-CD2 4.32Å; A239-Y255 HydrophobicContact CB-CE2 3.77Å
240	G	80.9	Confident	82.6	Confident	48 Å²	48	59.7 Å²	59.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-70.6	-28.7	175.7	0	0	0	0	0	113.9	D236 N237 N238 E242	D236-G240 PolarHBondContact O-N 3.23Å; N237-G240 WeakPolarHBondContact O-CA 3.47Å; N237-G240 PolarHBondContact O-N 3.48Å; N238-G240 VanDerWaalsContact C-N 3.34Å; G240-E242 PolarHBondContact O-N 3.05Å
241	E	83.8	Confident	82.6	Confident	141 Å²	141	55.5 Å²	55.5	66%	0.659	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.7	173.5	-69	-179.7	176.4	0	0	113.4	N237 P243	N237-E241 PolarHBondContact O-N 2.91Å; E241-P243 WeakPolarHBondContact O-CD 3.39Å
242	E	81.6	Confident	82.5	Confident	39 Å²	39	60.2 Å²	60.2	18%	0.182	33%	0.327	C	S	.	.			trans	-74.6	119.1	-177.8	-174.5	66.8	-175.7	0	0	110.9	K207 A239 G240 N244 S247 A248 L251	K207-E242 VanDerWaalsContact NZ-CD 3.35Å; K207-E242 IonicContact NZ-OE1 3.32Å; K207-E242 PolarHBondContact NZ-OE1 2.85Å; K207-E242 IonicContact NZ-OE2 2.68Å; A239-E242 VanDerWaalsContact O-CB 3.28Å; A239-E242 WeakPolarHBondContact O-CB 3.21Å; A239-E242 PolarHBondContact O-N 3.47Å; G240-E242 PolarHBondContact O-N 3.05Å; E242-N244 VanDerWaalsContact C-N 3.3Å; E242-N244 PolarHBondContact O-N 2.78Å; E242-S247 WeakPolarHBondContact CG-OG 3.45Å; E242-S247 WeakPolarHBondContact OE1-CB 3.23Å; E242-S247 PolarHBondContact OE1-OG 3.18Å; E242-A248 HydrophobicContact CB-CB 4.06Å; E242-A248 HydrophobicContact CG-CB 4.35Å; E242-L251 HydrophobicContact CB-CD1 4.28Å; E242-L251 HydrophobicContact CG-CD1 4.15Å
243	P	82.6	Confident	82.1	Confident	121 Å²	121	64.5 Å²	64.5	79%	0.786	35%	0.346	S	S	*	.	S	Bend	trans	-70.5	-24.9	-168.2	25.4	-34.3	0	0	0	113.7	E241	E241-P243 WeakPolarHBondContact O-CD 3.39Å
244	N	84	Confident	81.8	Confident	77 Å²	77	63 Å²	63	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	-95.2	119.8	179	171.4	-0.8	0	0	0	110.1	E242 I246 S247 A248	E242-N244 VanDerWaalsContact C-N 3.3Å; E242-N244 PolarHBondContact O-N 2.78Å; N244-I246 PolarHBondContact O-N 2.89Å; N244-I246 WeakPolarHBondContact OD1-CB 3.39Å; N244-I246 PolarHBondContact OD1-N 3.05Å; N244-S247 VanDerWaalsContact CB-OG 3.25Å; N244-S247 WeakPolarHBondContact CB-OG 3.16Å; N244-S247 PolarHBondContact O-N 3.25Å; N244-S247 PolarHBondContact O-OG 3.12Å; N244-A248 PolarHBondContact O-N 2.79Å
245	P	83	Confident	81.6	Confident	102 Å²	102	59.4 Å²	59.4	66%	0.662	32%	0.321	S	S	*	.	H	α-helix	trans	-63.2	-28.1	-176.6	22.4	-31.7	0	0	0	113.3	A249	P245-A249 WeakPolarHBondContact O-CB 3.18Å; P245-A249 PolarHBondContact O-N 2.98Å
246	I	80.3	Confident	81.2	Confident	111 Å²	111	64.2 Å²	64.2	57%	0.569	34%	0.339	S	S	*	.	H	α-helix	trans	-71.4	-40.8	175.8	-58.6	174.3	0	0	0	110.2	N244 A249 R250	N244-I246 PolarHBondContact O-N 2.89Å; N244-I246 WeakPolarHBondContact OD1-CB 3.39Å; N244-I246 PolarHBondContact OD1-N 3.05Å; I246-A249 PolarHBondContact O-N 3.36Å; I246-R250 WeakPolarHBondContact O-CG 3.46Å; I246-R250 PolarHBondContact O-N 2.93Å
247	S	78.7	Confident	81.1	Confident	13 Å²	13	62.9 Å²	62.9	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-72.3	-37.6	178.3	62	0	0	0	0	111.4	E242 N244 A249 R250 L251	E242-S247 WeakPolarHBondContact CG-OG 3.45Å; E242-S247 WeakPolarHBondContact OE1-CB 3.23Å; E242-S247 PolarHBondContact OE1-OG 3.18Å; N244-S247 VanDerWaalsContact CB-OG 3.25Å; N244-S247 WeakPolarHBondContact CB-OG 3.16Å; N244-S247 PolarHBondContact O-N 3.25Å; N244-S247 PolarHBondContact O-OG 3.12Å; S247-A249 VanDerWaalsContact C-N 3.35Å; S247-A249 PolarHBondContact O-N 2.95Å; S247-R250 PolarHBondContact O-N 3.41Å; S247-L251 PolarHBondContact O-N 2.76Å
248	A	82.7	Confident	81.1	Confident	7 Å²	7	58.2 Å²	58.2	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-45.9	169.8	0	0	0	0	0	111.7	A239 E242 N244 R250 L251 R252	A239-A248 WeakPolarHBondContact O-CB 3.26Å; E242-A248 HydrophobicContact CB-CB 4.06Å; E242-A248 HydrophobicContact CG-CB 4.35Å; N244-A248 PolarHBondContact O-N 2.79Å; A248-R250 PolarHBondContact O-N 3.16Å; A248-L251 PolarHBondContact O-N 2.87Å; A248-R252 WeakPolarHBondContact O-CG 3.49Å; A248-R252 PolarHBondContact O-N 3.34Å
249	A	82	Confident	81.5	Confident	56 Å²	56	57.6 Å²	57.6	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176.7	0	0	0	0	0	112.7	P245 I246 S247 K253	P245-A249 WeakPolarHBondContact O-CB 3.18Å; P245-A249 PolarHBondContact O-N 2.98Å; I246-A249 PolarHBondContact O-N 3.36Å; S247-A249 VanDerWaalsContact C-N 3.35Å; S247-A249 PolarHBondContact O-N 2.95Å; A249-K253 WeakPolarHBondContact O-CB 3.49Å; A249-K253 PolarHBondContact O-N 3.25Å
250	R	79.3	Confident	82	Confident	141 Å²	141	57.6 Å²	57.6	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-44.5	174	-77	-177.7	-179.2	-176.5	0.7	112	I246 S247 A248 K253 L254	I246-R250 WeakPolarHBondContact O-CG 3.46Å; I246-R250 PolarHBondContact O-N 2.93Å; S247-R250 PolarHBondContact O-N 3.41Å; A248-R250 PolarHBondContact O-N 3.16Å; R250-K253 WeakPolarHBondContact O-CB 3.29Å; R250-K253 PolarHBondContact O-N 3.35Å; R250-L254 PolarHBondContact O-N 2.81Å
251	L	81.9	Confident	82.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-48.4	175.7	-81.2	168	0	0	0	111.7	F203 K207 A239 E242 S247 A248 K253 L254 Y255	F203-L251 HydrophobicContact CB-CD2 4.15Å; K207-L251 HydrophobicContact CB-CD2 4.08Å; K207-L251 HydrophobicContact CB-CG 4.42Å; K207-L251 HydrophobicContact CD-CD1 3.79Å; K207-L251 HydrophobicContact CD-CD2 4.08Å; K207-L251 HydrophobicContact CD-CG 3.66Å; K207-L251 HydrophobicContact CG-CD2 4.43Å; K207-L251 HydrophobicContact CG-CG 4.22Å; A239-L251 HydrophobicContact CB-CB 4.15Å; E242-L251 HydrophobicContact CB-CD1 4.28Å; E242-L251 HydrophobicContact CG-CD1 4.15Å; S247-L251 PolarHBondContact O-N 2.76Å; A248-L251 PolarHBondContact O-N 2.87Å; L251-K253 PolarHBondContact O-N 3.3Å; L251-L254 WeakPolarHBondContact O-CA 3.29Å; L251-L254 WeakPolarHBondContact O-CB 3.27Å; L251-L254 PolarHBondContact O-N 3.01Å; L251-Y255 HydrophobicContact CB-CE2 4.22Å; L251-Y255 WeakPolarHBondContact O-CD2 3.34Å; L251-Y255 PolarHBondContact O-N 3.44Å
252	R	82.3	Confident	82.8	Confident	101 Å²	101	48.8 Å²	48.8	38%	0.381	25%	0.249	S	C	.	.	H	α-helix	trans	-57.8	-37.2	174.7	-72.8	-176.1	-176.8	128.9	7.1	112.1	D236 A239 A248 Y255 R256	D236-R252 IonicContact OD1-CZ 3.75Å; D236-R252 IonicContact OD1-NE 2.74Å; D236-R252 PolarHBondContact OD1-NE 2.89Å; A239-R252 HydrophobicContact CB-CG 3.81Å; A248-R252 WeakPolarHBondContact O-CG 3.49Å; A248-R252 PolarHBondContact O-N 3.34Å; R252-Y255 PolarHBondContact O-N 3.32Å; R252-R256 VanDerWaalsContact O-CG 3.31Å; R252-R256 WeakPolarHBondContact O-CG 3.44Å; R252-R256 PolarHBondContact O-N 2.97Å; R252-R256 VanDerWaalsContact O-N 3.16Å
253	K	78.6	Confident	83.1	Confident	93 Å²	93	47 Å²	47	40%	0.404	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-39	175.3	-167.7	175.6	178.6	-174.4	0	111.5	P213 A249 R250 L251 R256 H257	P213-K253 HydrophobicContact CB-CD 3.87Å; P213-K253 HydrophobicContact CB-CG 4.01Å; P213-K253 HydrophobicContact CG-CD 4.09Å; A249-K253 WeakPolarHBondContact O-CB 3.49Å; A249-K253 PolarHBondContact O-N 3.25Å; R250-K253 WeakPolarHBondContact O-CB 3.29Å; R250-K253 PolarHBondContact O-N 3.35Å; L251-K253 PolarHBondContact O-N 3.3Å; K253-R256 PolarHBondContact O-N 3.43Å; K253-H257 PolarHBondContact O-CE1 3Å; K253-H257 VanDerWaalsContact O-CE1 3.31Å; K253-H257 PolarHBondContact O-ND1 3Å
254	L	78.9	Confident	83.1	Confident	29 Å²	29	42.7 Å²	42.7	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-47.1	174.2	-71.4	167.7	0	0	0	111.3	F203 K207 P213 R250 L251 R256 H257	F203-L254 HydrophobicContact CD1-CB 4.04Å; F203-L254 HydrophobicContact CE1-CB 4.34Å; K207-L254 HydrophobicContact CB-CD1 4.46Å; P213-L254 HydrophobicContact CB-CD2 4.19Å; R250-L254 PolarHBondContact O-N 2.81Å; L251-L254 WeakPolarHBondContact O-CA 3.29Å; L251-L254 WeakPolarHBondContact O-CB 3.27Å; L251-L254 PolarHBondContact O-N 3.01Å; L254-R256 PolarHBondContact O-N 3.06Å; L254-H257 PolarHBondContact O-N 3.46Å
255	Y	79.9	Confident	82.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-29.5	179	-60.3	-30.7	0	0	0	113.8	F203 L235 A239 L251 R252 H257 V258	F203-Y255 HydrophobicContact CB-CD1 4.36Å; F203-Y255 HydrophobicContact CB-CE1 3.48Å; F203-Y255 VanDerWaalsContact CB-CE1 3.48Å; F203-Y255 HydrophobicContact CD1-CD1 4.31Å; F203-Y255 HydrophobicContact CD1-CE1 4.22Å; F203-Y255 AromaticContact CD2-CD1 3.84Å; F203-Y255 HydrophobicContact CD2-CD1 3.84Å; F203-Y255 AromaticContact CD2-CE1 3.45Å; F203-Y255 HydrophobicContact CD2-CE1 3.45Å; F203-Y255 VanDerWaalsContact CD2-CE1 3.45Å; F203-Y255 HydrophobicContact CE2-CD1 4.21Å; F203-Y255 HydrophobicContact CE2-CE1 4.26Å; F203-Y255 AromaticContact CG-CD1 3.92Å; F203-Y255 HydrophobicContact CG-CD1 3.92Å; F203-Y255 AromaticContact CG-CE1 3.45Å; F203-Y255 HydrophobicContact CG-CE1 3.45Å; F203-Y255 VanDerWaalsContact CG-CE1 3.45Å; L235-Y255 HydrophobicContact CB-CD1 4.49Å; L235-Y255 HydrophobicContact CB-CD2 4.01Å; L235-Y255 HydrophobicContact CB-CE2 4.08Å; L235-Y255 HydrophobicContact CB-CG 4.23Å; L235-Y255 HydrophobicContact CD1-CD1 4.34Å; L235-Y255 HydrophobicContact CD2-CD1 4.49Å; L235-Y255 HydrophobicContact CD2-CE1 4.1Å; L235-Y255 WeakPolarHBondContact O-CE2 3.44Å; A239-Y255 HydrophobicContact CB-CD2 4.32Å; A239-Y255 HydrophobicContact CB-CE2 3.77Å; L251-Y255 HydrophobicContact CB-CE2 4.22Å; L251-Y255 WeakPolarHBondContact O-CD2 3.34Å; L251-Y255 PolarHBondContact O-N 3.44Å; R252-Y255 PolarHBondContact O-N 3.32Å; Y255-H257 PolarHBondContact O-N 3.12Å; Y255-V258 PolarHBondContact O-N 3.44Å
256	R	75.5	Confident	82.4	Confident	103 Å²	103	35 Å²	35	39%	0.389	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.8	174.4	-75.1	172.9	-172.9	-168.4	-1.7	114.2	R252 K253 L254	R252-R256 VanDerWaalsContact O-CG 3.31Å; R252-R256 WeakPolarHBondContact O-CG 3.44Å; R252-R256 PolarHBondContact O-N 2.97Å; R252-R256 VanDerWaalsContact O-N 3.16Å; K253-R256 PolarHBondContact O-N 3.43Å; L254-R256 PolarHBondContact O-N 3.06Å
257	H	78.7	Confident	81.9	Confident	22 Å²	22	32.6 Å²	32.6	10%	0.102	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	16	179.8	-56.3	85.6	0	0	0	112.3	L214 K253 L254 Y255 D390 L391	L214-H257 WeakPolarHBondContact CD2-NE2 3.27Å; K253-H257 PolarHBondContact O-CE1 3Å; K253-H257 VanDerWaalsContact O-CE1 3.31Å; K253-H257 PolarHBondContact O-ND1 3Å; L254-H257 PolarHBondContact O-N 3.46Å; Y255-H257 PolarHBondContact O-N 3.12Å; H257-D390 PolarHBondContact CD2-O 3.1Å; H257-L391 VanDerWaalsContact O-CD2 3.29Å; H257-L391 WeakPolarHBondContact O-CD2 3.41Å
258	V	86	Confident	81.6	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.9	172.9	-174.1	0	0	0	0	108.2	F203 I218 H220 Y255	F203-V258 HydrophobicContact CE1-CG2 3.9Å; F203-V258 HydrophobicContact CE2-CG2 3.8Å; F203-V258 HydrophobicContact CZ-CG2 3.19Å; I218-V258 HydrophobicContact CG2-CG1 4.35Å; I218-V258 WeakPolarHBondContact O-CA 3.4Å; H220-V258 HydrophobicContact CB-CG1 4.29Å; Y255-V258 PolarHBondContact O-N 3.44Å
259	A	90.7	Very high	81.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.4	171.5	0	0	0	0	0	109.4	I218 V219 H220 M348 H349 M350 L391	I218-A259 PolarHBondContact O-N 3.44Å; V219-A259 CarbonylContact C-O 3.6Å; V219-A259 WeakPolarHBondContact CA-O 3.45Å; V219-A259 HydrophobicContact CG2-CB 4.38Å; H220-A259 PolarHBondContact N-O 3.4Å; A259-M348 HydrophobicContact CB-CE 4.36Å; A259-M348 HydrophobicContact CB-CG 3.86Å; A259-M348 HydrophobicContact CB-SD 3.69Å; A259-H349 WeakPolarHBondContact CA-O 3.23Å; A259-M350 HydrophobicContact CB-CG 4.05Å; A259-L391 HydrophobicContact CB-CD1 4.36Å
260	L	91.8	Very high	81.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.1	173	179.8	70.1	0	0	0	108.6	D222 I228 F231 Y232 M348 H349	D222-L260 HydrophobicContact CB-CD1 4.1Å; I228-L260 HydrophobicContact CB-CD2 4.45Å; I228-L260 HydrophobicContact CG1-CD2 4.26Å; I228-L260 HydrophobicContact CG2-CD2 4.12Å; F231-L260 HydrophobicContact CB-CD2 4.35Å; F231-L260 HydrophobicContact CD1-CB 4.44Å; F231-L260 HydrophobicContact CD1-CD1 4.08Å; F231-L260 HydrophobicContact CD1-CD2 3.91Å; F231-L260 HydrophobicContact CD1-CG 4.38Å; F231-L260 HydrophobicContact CD2-CD1 4.32Å; F231-L260 HydrophobicContact CE1-CB 4.27Å; F231-L260 HydrophobicContact CE1-CD1 4.05Å; F231-L260 HydrophobicContact CE2-CD1 4.3Å; F231-L260 HydrophobicContact CG-CD1 4.21Å; F231-L260 HydrophobicContact CG-CD2 4.19Å; F231-L260 HydrophobicContact CZ-CD1 4.16Å; Y232-L260 HydrophobicContact CE2-CB 4.23Å; Y232-L260 HydrophobicContact CE2-CD2 4.21Å; Y232-L260 WeakPolarHBondContact OH-CB 3.45Å; Y232-L260 PolarHBondContact OH-N 3.48Å; L260-M348 CarbonylContact O-C 3.55Å; L260-M348 VanDerWaalsContact O-CA 3.29Å; L260-M348 WeakPolarHBondContact O-CA 3.38Å; L260-H349 PolarHBondContact N-O 3.41Å; L260-H349 PolarHBondContact O-N 3.22Å
261	L	91.9	Very high	81.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.8	174.3	-172.9	65.3	0	0	0	108.5	V127 M131 V219 H220 V221 D222 Y346 M348 V362	V127-L261 HydrophobicContact CG1-CD2 4.01Å; M131-L261 HydrophobicContact SD-CD2 4.44Å; V219-L261 HydrophobicContact CG1-CB 3.84Å; V219-L261 HydrophobicContact CG1-CD2 4.31Å; H220-L261 PolarHBondContact O-N 3.29Å; V221-L261 WeakPolarHBondContact CA-O 3.34Å; V221-L261 HydrophobicContact CG2-CD2 4.28Å; D222-L261 PolarHBondContact N-O 3.16Å; L261-Y346 HydrophobicContact CD1-CD1 4.14Å; L261-Y346 HydrophobicContact CD1-CG 4.43Å; L261-Y346 HydrophobicContact CD2-CD1 4.43Å; L261-Y346 HydrophobicContact CG-CD1 3.77Å; L261-Y346 HydrophobicContact CG-CE1 4.43Å; L261-Y346 HydrophobicContact CG-CG 4.45Å; L261-M348 HydrophobicContact CD1-CB 4.19Å; L261-V362 HydrophobicContact CD1-CG2 4.18Å
262	K	88.9	Confident	81.9	Confident	5 Å²	5	40.4 Å²	40.4	2%	0.022	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.2	-174.2	-176.3	177.6	173.9	178.9	0	110.8	D222 S226 I228 S264 Y346 E347	D222-K262 HydrophobicContact CB-CG 4.44Å; S226-K262 WeakPolarHBondContact O-CE 3.17Å; S226-K262 PolarHBondContact O-NZ 2.9Å; I228-K262 HydrophobicContact CD1-CD 4.15Å; I228-K262 HydrophobicContact CG1-CD 3.69Å; K262-S264 PolarHBondContact O-N 3.28Å; K262-Y346 VanDerWaalsContact O-CA 3.29Å; K262-Y346 WeakPolarHBondContact O-CA 3.46Å; K262-Y346 VanDerWaalsContact O-CD1 3.27Å; K262-Y346 WeakPolarHBondContact O-CD1 3.26Å; K262-E347 HydrophobicContact CB-CG 4.43Å; K262-E347 PolarHBondContact N-O 3.15Å; K262-E347 PolarHBondContact O-N 2.82Å
263	N	86.9	Confident	82.1	Confident	2 Å²	2	42 Å²	42	1%	0.011	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.6	171.5	-173.3	-37.3	0	0	0	109.3	P118 H119 H265 D266 P344 Y345 Y346	P118-N263 PolarHBondContact O-ND2 3Å; H119-N263 PolarHBondContact ND1-ND2 2.94Å; N263-H265 PolarHBondContact O-N 3.05Å; N263-H265 WeakPolarHBondContact OD1-CB 3.37Å; N263-H265 PolarHBondContact OD1-CD2 3.43Å; N263-H265 PolarHBondContact OD1-N 3.38Å; N263-D266 WeakPolarHBondContact O-CB 3.43Å; N263-D266 PolarHBondContact O-N 3.27Å; N263-P344 WeakPolarHBondContact ND2-CB 3.3Å; N263-Y345 CarbonylContact C-O 3.53Å; N263-Y345 WeakPolarHBondContact CA-O 3.28Å; N263-Y345 PolarHBondContact OD1-O 2.8Å; N263-Y346 HydrophobicContact CB-CD1 4.39Å; N263-Y346 HydrophobicContact CB-CE1 3.99Å
264	S	82.9	Confident	82.6	Confident	29 Å²	29	38.4 Å²	38.4	20%	0.203	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.5	-176.1	-55.5	0	0	0	0	113.4	K262 Y345	K262-S264 PolarHBondContact O-N 3.28Å; S264-Y345 PolarHBondContact N-O 2.91Å
265	H	79.7	Confident	83	Confident	2 Å²	2	37 Å²	37	1%	0.009	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.5	175.3	-61.4	-65.8	0	0	0	114.1	P118 N263 D267 Y287 S331 P333 R342 Y345	P118-H265 HydrophobicContact CB-CB 4.33Å; P118-H265 VanDerWaalsContact CB-CD2 3.44Å; P118-H265 WeakPolarHBondContact CB-CD2 3.33Å; P118-H265 HydrophobicContact CG-CB 3.52Å; N263-H265 PolarHBondContact O-N 3.05Å; N263-H265 WeakPolarHBondContact OD1-CB 3.37Å; N263-H265 PolarHBondContact OD1-CD2 3.43Å; N263-H265 PolarHBondContact OD1-N 3.38Å; H265-D267 VanDerWaalsContact C-N 3.27Å; H265-Y287 WeakPolarHBondContact O-CE2 3.35Å; H265-Y287 PolarHBondContact O-OH 3.1Å; H265-Y287 VanDerWaalsContact O-OH 3.09Å; H265-S331 PolarHBondContact ND1-O 3.15Å; H265-P333 PolarHBondContact CE1-O 2.94Å; H265-P333 PolarHBondContact NE2-O 3.12Å; H265-R342 PolarHBondContact CE1-NH2 3.43Å; H265-R342 PolarHBondContact ND1-NH2 3.11Å; H265-Y345 AromaticContact NE2-CD2 3.49Å; H265-Y345 WeakPolarHBondContact NE2-CD2 3.5Å
266	D	72.5	Confident	83.6	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.091	21%	0.211	C	C	.	.	S	Bend	trans	-84	-4.9	172.4	-74.2	-34	0	0	0	112.7	H119 K225 N263 M268	H119-D266 IonicContact CE1-OD1 3.46Å; H119-D266 PolarHBondContact CE1-OD1 2.8Å; H119-D266 IonicContact CE1-OD2 3.93Å; H119-D266 PolarHBondContact CE1-OD2 2.81Å; H119-D266 IonicContact NE2-OD1 3.65Å; H119-D266 PolarHBondContact NE2-OD1 3.24Å; H119-D266 VanDerWaalsContact NE2-OD1 3.15Å; K225-D266 HydrophobicContact CB-CB 4.32Å; K225-D266 WeakPolarHBondContact CE-OD1 3.16Å; K225-D266 HydrophobicContact CG-CB 4.29Å; K225-D266 IonicContact NZ-OD1 2.74Å; K225-D266 PolarHBondContact NZ-OD1 2.73Å; N263-D266 WeakPolarHBondContact O-CB 3.43Å; N263-D266 PolarHBondContact O-N 3.27Å; D266-M268 PolarHBondContact O-N 3Å
267	D	69.7	Low	84.3	Confident	60 Å²	60	48 Å²	48	32%	0.321	22%	0.224	S	C	.	.			trans	-76.4	121.9	172.2	-158	-26.8	0	0	0	111	H265 E269	H265-D267 VanDerWaalsContact C-N 3.27Å; D267-E269 PolarHBondContact O-N 3.48Å; D267-E269 WeakPolarHBondContact OD1-CB 3.39Å; D267-E269 PolarHBondContact OD1-N 3.2Å
268	M	72.8	Confident	84.8	Confident	66 Å²	66	49.9 Å²	49.9	33%	0.325	23%	0.231	S	C	.	.			trans	-77.6	-6.8	-179.1	-70	-72.1	-90.6	0	0	112.5	D266 K270 T271 E272	D266-M268 PolarHBondContact O-N 3Å; M268-K270 PolarHBondContact O-N 3.22Å; M268-T271 HydrophobicContact CE-CG2 4.48Å; M268-T271 CarbonylContact O-C 3.53Å; M268-T271 WeakPolarHBondContact O-CA 3.49Å; M268-T271 WeakPolarHBondContact O-CB 3.22Å; M268-T271 PolarHBondContact O-N 3.05Å; M268-T271 HydrophobicContact SD-CG2 4.46Å; M268-E272 WeakPolarHBondContact O-CG 3.37Å; M268-E272 PolarHBondContact O-N 2.9Å
269	E	79.9	Confident	85	Confident	135 Å²	135	53.1 Å²	53.1	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-53.1	-46.8	-176.5	-169.5	179.8	-159.8	0	0	113.1	D267 T271 E272 E273	D267-E269 PolarHBondContact O-N 3.48Å; D267-E269 WeakPolarHBondContact OD1-CB 3.39Å; D267-E269 PolarHBondContact OD1-N 3.2Å; E269-T271 VanDerWaalsContact C-N 3.33Å; E269-T271 PolarHBondContact O-N 3.15Å; E269-E272 PolarHBondContact O-N 3.23Å; E269-E273 WeakPolarHBondContact O-CB 3.43Å; E269-E273 PolarHBondContact O-N 2.77Å
270	K	80.7	Confident	84.8	Confident	78 Å²	78	54.5 Å²	54.5	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-35.7	177.2	-70.4	-179.8	-177.1	160.2	0	112.6	M268 E272 E273 F274	M268-K270 PolarHBondContact O-N 3.22Å; K270-E272 VanDerWaalsContact C-N 3.34Å; K270-E273 PolarHBondContact O-N 2.96Å; K270-F274 WeakPolarHBondContact O-CB 3.36Å; K270-F274 PolarHBondContact O-N 2.82Å
271	T	84.1	Confident	84.6	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-40.8	176.3	-55.7	0	0	0	0	110.1	M268 E269 A275 L286 L290	M268-T271 HydrophobicContact CE-CG2 4.48Å; M268-T271 CarbonylContact O-C 3.53Å; M268-T271 WeakPolarHBondContact O-CA 3.49Å; M268-T271 WeakPolarHBondContact O-CB 3.22Å; M268-T271 PolarHBondContact O-N 3.05Å; M268-T271 HydrophobicContact SD-CG2 4.46Å; E269-T271 VanDerWaalsContact C-N 3.33Å; E269-T271 PolarHBondContact O-N 3.15Å; T271-A275 WeakPolarHBondContact O-CB 3.41Å; T271-A275 PolarHBondContact O-N 2.84Å; T271-L286 HydrophobicContact CG2-CB 4.24Å; T271-L286 HydrophobicContact CG2-CD2 3.84Å; T271-L286 HydrophobicContact CG2-CG 3.88Å; T271-L290 HydrophobicContact CG2-CD1 4.26Å
272	E	86.9	Confident	84.1	Confident	100 Å²	100	62.9 Å²	62.9	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-42.6	175.2	-71.7	-177.2	-179.7	0	0	112.5	M268 E269 K270 A275 K276 P282	M268-E272 WeakPolarHBondContact O-CG 3.37Å; M268-E272 PolarHBondContact O-N 2.9Å; E269-E272 PolarHBondContact O-N 3.23Å; K270-E272 VanDerWaalsContact C-N 3.34Å; E272-A275 PolarHBondContact O-N 3.22Å; E272-K276 VanDerWaalsContact O-CB 3.27Å; E272-K276 WeakPolarHBondContact O-CB 3.3Å; E272-K276 PolarHBondContact O-N 3.26Å; E272-P282 HydrophobicContact CB-CG 4.46Å; E272-P282 HydrophobicContact CG-CB 3.89Å; E272-P282 HydrophobicContact CG-CG 3.96Å
273	E	87.2	Confident	83.9	Confident	136 Å²	136	64.6 Å²	64.6	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-47.5	175.7	-169.9	-171.7	172.2	0	0	110.8	E269 K270 K276 K277	E269-E273 WeakPolarHBondContact O-CB 3.43Å; E269-E273 PolarHBondContact O-N 2.77Å; K270-E273 PolarHBondContact O-N 2.96Å; E273-K276 PolarHBondContact O-N 3.15Å; E273-K277 WeakPolarHBondContact O-CB 3.3Å; E273-K277 PolarHBondContact O-N 3.49Å
274	F	88.2	Confident	83.6	Confident	16 Å²	16	69.3 Å²	69.3	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-45.6	176.1	-172.2	-85.2	0	0	0	111.5	I32 I35 K270 K276 K277 Y278 L280 L286 L290 Y330	I32-F274 HydrophobicContact CG2-CE1 4.28Å; I32-F274 HydrophobicContact CG2-CZ 4.44Å; I35-F274 HydrophobicContact CG2-CZ 4.03Å; K270-F274 WeakPolarHBondContact O-CB 3.36Å; K270-F274 PolarHBondContact O-N 2.82Å; F274-K276 VanDerWaalsContact C-N 3.34Å; F274-K276 PolarHBondContact O-N 3.28Å; F274-K277 PolarHBondContact O-N 3.03Å; F274-Y278 HydrophobicContact CD1-CD2 4.03Å; F274-Y278 AromaticContact CD2-CD2 4Å; F274-Y278 HydrophobicContact CD2-CD2 4Å; F274-Y278 AromaticContact CD2-CE2 3.92Å; F274-Y278 HydrophobicContact CD2-CE2 3.92Å; F274-Y278 AromaticContact CE1-CD2 3.78Å; F274-Y278 HydrophobicContact CE1-CD2 3.78Å; F274-Y278 HydrophobicContact CE1-CE2 4.42Å; F274-Y278 HydrophobicContact CE1-CG 4.49Å; F274-Y278 AromaticContact CE2-CD2 3.75Å; F274-Y278 HydrophobicContact CE2-CD2 3.75Å; F274-Y278 AromaticContact CE2-CE2 3.54Å; F274-Y278 HydrophobicContact CE2-CE2 3.54Å; F274-Y278 HydrophobicContact CG-CD2 4.15Å; F274-Y278 AromaticContact CZ-CD2 3.64Å; F274-Y278 HydrophobicContact CZ-CD2 3.64Å; F274-Y278 AromaticContact CZ-CE2 3.83Å; F274-Y278 HydrophobicContact CZ-CE2 3.83Å; F274-Y278 HydrophobicContact CZ-CG 4.49Å; F274-Y278 WeakPolarHBondContact O-CD2 3.23Å; F274-Y278 PolarHBondContact O-N 3.18Å; F274-Y278 VanDerWaalsContact O-N 3.13Å; F274-L280 HydrophobicContact CD1-CD1 4.31Å; F274-L280 HydrophobicContact CE1-CD1 3.93Å; F274-L286 HydrophobicContact CD1-CD1 4.1Å; F274-L286 HydrophobicContact CE1-CD1 4.21Å; F274-L290 HydrophobicContact CB-CD1 4.14Å; F274-L290 HydrophobicContact CD1-CD1 4.46Å; F274-L290 HydrophobicContact CD1-CD2 3.74Å; F274-L290 HydrophobicContact CD2-CD2 3.89Å; F274-L290 HydrophobicContact CE1-CD2 3.76Å; F274-L290 HydrophobicContact CE2-CD2 3.91Å; F274-L290 HydrophobicContact CG-CD1 4.25Å; F274-L290 HydrophobicContact CG-CD2 3.8Å; F274-L290 HydrophobicContact CZ-CD2 3.84Å; F274-Y330 AromaticContact CD2-CD1 3.83Å; F274-Y330 HydrophobicContact CD2-CD1 3.83Å; F274-Y330 HydrophobicContact CD2-CE1 4.37Å; F274-Y330 AromaticContact CE2-CD1 3.66Å; F274-Y330 HydrophobicContact CE2-CD1 3.66Å; F274-Y330 AromaticContact CE2-CE1 3.86Å; F274-Y330 HydrophobicContact CE2-CE1 3.86Å
275	A	89.1	Confident	83.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-47.8	178.7	0	0	0	0	0	111.2	T271 E272 K277 Y278 G279 L280 P282 L286	T271-A275 WeakPolarHBondContact O-CB 3.41Å; T271-A275 PolarHBondContact O-N 2.84Å; E272-A275 PolarHBondContact O-N 3.22Å; A275-K277 PolarHBondContact O-N 2.96Å; A275-Y278 PolarHBondContact O-N 3.46Å; A275-G279 PolarHBondContact O-N 3.21Å; A275-L280 HydrophobicContact CB-CB 4.38Å; A275-L280 WeakPolarHBondContact CB-O 3.45Å; A275-L280 PolarHBondContact O-N 3.11Å; A275-P282 HydrophobicContact CB-CB 4.29Å; A275-P282 HydrophobicContact CB-CG 3.71Å; A275-L286 HydrophobicContact CB-CD2 3.6Å
276	K	90.5	Very high	83.9	Confident	187 Å²	187	70.3 Å²	70.3	81%	0.813	36%	0.359	S	S	*	.	H	α-helix	trans	-62.5	-41.8	178.5	-171.9	177.5	-178	179	0	112.1	E272 E273 F274 Y278	E272-K276 VanDerWaalsContact O-CB 3.27Å; E272-K276 WeakPolarHBondContact O-CB 3.3Å; E272-K276 PolarHBondContact O-N 3.26Å; E273-K276 PolarHBondContact O-N 3.15Å; F274-K276 VanDerWaalsContact C-N 3.34Å; F274-K276 PolarHBondContact O-N 3.28Å; K276-Y278 VanDerWaalsContact C-N 3.34Å; K276-Y278 PolarHBondContact O-N 2.81Å
277	K	91.1	Very high	84.5	Confident	152 Å²	152	69.8 Å²	69.8	66%	0.661	36%	0.356	S	S	*	.	H	α-helix	trans	-63.7	-36.5	179.9	-175.8	175.8	178.5	-178.4	0	113	E273 F274 A275	E273-K277 WeakPolarHBondContact O-CB 3.3Å; E273-K277 PolarHBondContact O-N 3.49Å; F274-K277 PolarHBondContact O-N 3.03Å; A275-K277 PolarHBondContact O-N 2.96Å
278	Y	89.9	Confident	85.2	Confident	60 Å²	60	68.7 Å²	68.7	24%	0.235	35%	0.349	C	S	.	.	H	α-helix	trans	-107.6	8.6	-175.7	-67.3	-74.8	0	0	0	114.4	I35 N39 F274 A275 K276 L280	I35-Y278 HydrophobicContact CD1-CD1 4.36Å; I35-Y278 HydrophobicContact CD1-CG 4.46Å; I35-Y278 HydrophobicContact CG2-CD1 3.76Å; I35-Y278 HydrophobicContact CG2-CD2 4.2Å; I35-Y278 HydrophobicContact CG2-CE1 3.48Å; I35-Y278 VanDerWaalsContact CG2-CE1 3.48Å; I35-Y278 HydrophobicContact CG2-CE2 3.97Å; I35-Y278 HydrophobicContact CG2-CG 4.12Å; N39-Y278 PolarHBondContact ND2-OH 3.28Å; N39-Y278 PolarHBondContact OD1-OH 3.43Å; N39-Y278 VanDerWaalsContact OD1-OH 3.1Å; F274-Y278 HydrophobicContact CD1-CD2 4.03Å; F274-Y278 AromaticContact CD2-CD2 4Å; F274-Y278 HydrophobicContact CD2-CD2 4Å; F274-Y278 AromaticContact CD2-CE2 3.92Å; F274-Y278 HydrophobicContact CD2-CE2 3.92Å; F274-Y278 AromaticContact CE1-CD2 3.78Å; F274-Y278 HydrophobicContact CE1-CD2 3.78Å; F274-Y278 HydrophobicContact CE1-CE2 4.42Å; F274-Y278 HydrophobicContact CE1-CG 4.49Å; F274-Y278 AromaticContact CE2-CD2 3.75Å; F274-Y278 HydrophobicContact CE2-CD2 3.75Å; F274-Y278 AromaticContact CE2-CE2 3.54Å; F274-Y278 HydrophobicContact CE2-CE2 3.54Å; F274-Y278 HydrophobicContact CG-CD2 4.15Å; F274-Y278 AromaticContact CZ-CD2 3.64Å; F274-Y278 HydrophobicContact CZ-CD2 3.64Å; F274-Y278 AromaticContact CZ-CE2 3.83Å; F274-Y278 HydrophobicContact CZ-CE2 3.83Å; F274-Y278 HydrophobicContact CZ-CG 4.49Å; F274-Y278 WeakPolarHBondContact O-CD2 3.23Å; F274-Y278 PolarHBondContact O-N 3.18Å; F274-Y278 VanDerWaalsContact O-N 3.13Å; A275-Y278 PolarHBondContact O-N 3.46Å; K276-Y278 VanDerWaalsContact C-N 3.34Å; K276-Y278 PolarHBondContact O-N 2.81Å; Y278-L280 VanDerWaalsContact C-N 3.32Å; Y278-L280 PolarHBondContact O-N 3.46Å
279	G	88.9	Confident	85.9	Confident	69 Å²	69	65.6 Å²	65.6	71%	0.711	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	35.9	179.7	0	0	0	0	0	113.3	A275	A275-G279 PolarHBondContact O-N 3.21Å
280	L	88	Confident	86.3	Confident	30 Å²	30	59.1 Å²	59.1	16%	0.157	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-101.3	166.4	175.7	-55.7	172	0	0	0	110.1	I32 F274 A275 Y278 L286	I32-L280 HydrophobicContact CG1-CD1 4.15Å; F274-L280 HydrophobicContact CD1-CD1 4.31Å; F274-L280 HydrophobicContact CE1-CD1 3.93Å; A275-L280 HydrophobicContact CB-CB 4.38Å; A275-L280 WeakPolarHBondContact CB-O 3.45Å; A275-L280 PolarHBondContact O-N 3.11Å; Y278-L280 VanDerWaalsContact C-N 3.32Å; Y278-L280 PolarHBondContact O-N 3.46Å; L280-L286 HydrophobicContact CB-CD2 4.38Å; L280-L286 HydrophobicContact CD1-CD1 3.94Å
281	V	86.3	Confident	86.8	Confident	116 Å²	116	55.5 Å²	55.5	70%	0.703	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-93.2	125.3	174.6	-178.4	0	0	0	0	108.8	S283	V281-S283 PolarHBondContact O-N 3.26Å; V281-S283 VanDerWaalsContact O-N 3.16Å; V281-S283 PolarHBondContact O-OG 2.89Å
282	P	83	Confident	87	Confident	59 Å²	59	55.4 Å²	55.4	38%	0.383	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-54.7	121.4	170.8	-18.9	28.5	0	0	0	109.6	E272 A275	E272-P282 HydrophobicContact CB-CG 4.46Å; E272-P282 HydrophobicContact CG-CB 3.89Å; E272-P282 HydrophobicContact CG-CG 3.96Å; A275-P282 HydrophobicContact CB-CB 4.29Å; A275-P282 HydrophobicContact CB-CG 3.71Å
283	S	84.2	Confident	87.2	Confident	41 Å²	41	50.7 Å²	50.7	29%	0.287	27%	0.265	S	S	.	.			trans	-153.5	158.1	-178.6	60.9	0	0	0	0	110.4	V281 T285 L286 Y287	V281-S283 PolarHBondContact O-N 3.26Å; V281-S283 VanDerWaalsContact O-N 3.16Å; V281-S283 PolarHBondContact O-OG 2.89Å; S283-T285 PolarHBondContact O-N 3.37Å; S283-L286 WeakPolarHBondContact O-CB 3.35Å; S283-L286 PolarHBondContact O-N 3.35Å; S283-L286 VanDerWaalsContact O-N 3.09Å; S283-L286 WeakPolarHBondContact OG-CB 3.47Å; S283-L286 PolarHBondContact OG-N 3.18Å; S283-L286 VanDerWaalsContact OG-N 3.12Å; S283-Y287 PolarHBondContact O-N 3.47Å
284	Y	79.5	Confident	87.4	Confident	101 Å²	101	44.2 Å²	44.2	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-32.7	174.5	-174.8	-118.5	0	0	0	112.1	K117 Y287 K288	K117-Y284 PolarHBondContact NZ-OH 3.03Å; Y284-Y287 HydrophobicContact CD2-CD1 4.18Å; Y284-Y287 AromaticContact CE2-CD1 3.96Å; Y284-Y287 HydrophobicContact CE2-CD1 3.96Å; Y284-Y287 HydrophobicContact CE2-CE1 4.37Å; Y284-Y287 WeakPolarHBondContact O-CB 3.27Å; Y284-Y287 PolarHBondContact O-N 2.85Å; Y284-K288 HydrophobicContact CE1-CD 4.21Å; Y284-K288 HydrophobicContact CE1-CG 4.4Å; Y284-K288 PolarHBondContact O-N 3.27Å
285	T	82.6	Confident	87.4	Confident	48 Å²	48	43.5 Å²	43.5	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-40.8	174.2	-44	0	0	0	0	111.9	S283 K288 A289	S283-T285 PolarHBondContact O-N 3.37Å; T285-K288 PolarHBondContact O-N 2.54Å; T285-A289 PolarHBondContact O-N 2.93Å
286	L	86.6	Confident	87.3	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-44.9	172.2	176.4	60.2	0	0	0	111.1	I32 T271 F274 A275 L280 S283 K288 A289 L290	I32-L286 HydrophobicContact CD1-CD1 3.54Å; I32-L286 HydrophobicContact CG1-CD1 4.05Å; I32-L286 HydrophobicContact CG2-CD1 4.33Å; T271-L286 HydrophobicContact CG2-CB 4.24Å; T271-L286 HydrophobicContact CG2-CD2 3.84Å; T271-L286 HydrophobicContact CG2-CG 3.88Å; F274-L286 HydrophobicContact CD1-CD1 4.1Å; F274-L286 HydrophobicContact CE1-CD1 4.21Å; A275-L286 HydrophobicContact CB-CD2 3.6Å; L280-L286 HydrophobicContact CB-CD2 4.38Å; L280-L286 HydrophobicContact CD1-CD1 3.94Å; S283-L286 WeakPolarHBondContact O-CB 3.35Å; S283-L286 PolarHBondContact O-N 3.35Å; S283-L286 VanDerWaalsContact O-N 3.09Å; S283-L286 WeakPolarHBondContact OG-CB 3.47Å; S283-L286 PolarHBondContact OG-N 3.18Å; S283-L286 VanDerWaalsContact OG-N 3.12Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 3.2Å; L286-A289 WeakPolarHBondContact O-CB 3.48Å; L286-A289 PolarHBondContact O-N 3.31Å; L286-A289 VanDerWaalsContact O-N 3.13Å; L286-L290 HydrophobicContact CD1-CD2 4.48Å; L286-L290 HydrophobicContact CD1-CG 4.33Å; L286-L290 HydrophobicContact CG-CD1 4.49Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.37Å; L286-L290 PolarHBondContact O-N 3.07Å
287	Y	85.3	Confident	87.1	Confident	6 Å²	6	37 Å²	37	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-44.6	175.9	170.3	-100.5	0	0	0	112.5	H265 S283 Y284 A289 L290 I291	H265-Y287 WeakPolarHBondContact O-CE2 3.35Å; H265-Y287 PolarHBondContact O-OH 3.1Å; H265-Y287 VanDerWaalsContact O-OH 3.09Å; S283-Y287 PolarHBondContact O-N 3.47Å; Y284-Y287 HydrophobicContact CD2-CD1 4.18Å; Y284-Y287 AromaticContact CE2-CD1 3.96Å; Y284-Y287 HydrophobicContact CE2-CD1 3.96Å; Y284-Y287 HydrophobicContact CE2-CE1 4.37Å; Y284-Y287 WeakPolarHBondContact O-CB 3.27Å; Y284-Y287 PolarHBondContact O-N 2.85Å; Y287-A289 VanDerWaalsContact C-N 3.32Å; Y287-A289 PolarHBondContact O-N 3.14Å; Y287-L290 PolarHBondContact O-N 3.03Å; Y287-L290 VanDerWaalsContact O-N 3.15Å; Y287-I291 HydrophobicContact CD1-CD1 3.97Å; Y287-I291 HydrophobicContact CE1-CD1 3.36Å; Y287-I291 HydrophobicContact CE1-CG1 4.26Å; Y287-I291 HydrophobicContact CE2-CD1 4.4Å; Y287-I291 PolarHBondContact O-N 3.12Å
288	K	83.9	Confident	86.8	Confident	38 Å²	38	29.9 Å²	29.9	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-42.4	173.8	-75.5	-176.5	171.6	-172.8	0	112.3	A79 Y284 T285 L286 L290 I291 L292	A79-K288 HydrophobicContact CB-CD 4.2Å; Y284-K288 HydrophobicContact CE1-CD 4.21Å; Y284-K288 HydrophobicContact CE1-CG 4.4Å; Y284-K288 PolarHBondContact O-N 3.27Å; T285-K288 PolarHBondContact O-N 2.54Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 3.2Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-I291 WeakPolarHBondContact O-CB 3.14Å; K288-I291 PolarHBondContact O-N 2.92Å; K288-L292 PolarHBondContact O-N 3.46Å
289	A	87.6	Confident	86.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-37.4	176.1	0	0	0	0	0	112.3	E29 I32 T285 L286 Y287 I291 L292 C293	E29-A289 HydrophobicContact CB-CB 4.42Å; E29-A289 HydrophobicContact CG-CB 3.71Å; I32-A289 HydrophobicContact CB-CB 3.94Å; I32-A289 HydrophobicContact CD1-CB 3.49Å; I32-A289 VanDerWaalsContact CD1-CB 3.49Å; I32-A289 HydrophobicContact CG1-CB 4.32Å; I32-A289 HydrophobicContact CG2-CB 3.73Å; T285-A289 PolarHBondContact O-N 2.93Å; L286-A289 WeakPolarHBondContact O-CB 3.48Å; L286-A289 PolarHBondContact O-N 3.31Å; L286-A289 VanDerWaalsContact O-N 3.13Å; Y287-A289 VanDerWaalsContact C-N 3.32Å; Y287-A289 PolarHBondContact O-N 3.14Å; A289-I291 VanDerWaalsContact C-N 3.33Å; A289-I291 PolarHBondContact O-N 2.98Å; A289-L292 WeakPolarHBondContact O-CB 3.41Å; A289-L292 PolarHBondContact O-N 2.98Å; A289-L292 VanDerWaalsContact O-N 3.15Å; A289-C293 PolarHBondContact O-N 3.27Å
290	L	89.7	Confident	85.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-34.8	175	-66.3	-177.3	0	0	0	112.3	I32 T271 F274 L286 Y287 K288 L292 C293 D294	I32-L290 HydrophobicContact CG2-CD2 4.24Å; T271-L290 HydrophobicContact CG2-CD1 4.26Å; F274-L290 HydrophobicContact CB-CD1 4.14Å; F274-L290 HydrophobicContact CD1-CD1 4.46Å; F274-L290 HydrophobicContact CD1-CD2 3.74Å; F274-L290 HydrophobicContact CD2-CD2 3.89Å; F274-L290 HydrophobicContact CE1-CD2 3.76Å; F274-L290 HydrophobicContact CE2-CD2 3.91Å; F274-L290 HydrophobicContact CG-CD1 4.25Å; F274-L290 HydrophobicContact CG-CD2 3.8Å; F274-L290 HydrophobicContact CZ-CD2 3.84Å; L286-L290 HydrophobicContact CD1-CD2 4.48Å; L286-L290 HydrophobicContact CD1-CG 4.33Å; L286-L290 HydrophobicContact CG-CD1 4.49Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.37Å; L286-L290 PolarHBondContact O-N 3.07Å; Y287-L290 PolarHBondContact O-N 3.03Å; Y287-L290 VanDerWaalsContact O-N 3.15Å; K288-L290 VanDerWaalsContact C-N 3.34Å; L290-L292 VanDerWaalsContact C-N 3.29Å; L290-L292 PolarHBondContact O-N 3.04Å; L290-C293 WeakPolarHBondContact O-CB 3.08Å; L290-C293 PolarHBondContact O-N 2.95Å; L290-C293 VanDerWaalsContact O-N 3.16Å; L290-D294 VanDerWaalsContact O-CG 3.31Å; L290-D294 PolarHBondContact O-N 3.46Å
291	I	89.4	Confident	85.3	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-40.8	171	-70.1	169.6	0	0	0	110.9	L116 K117 Y287 K288 A289 C293 D294 G295	L116-I291 HydrophobicContact CB-CG2 3.44Å; L116-I291 VanDerWaalsContact CB-CG2 3.44Å; L116-I291 WeakPolarHBondContact O-CG2 3.38Å; K117-I291 HydrophobicContact CG-CD1 4.33Å; Y287-I291 HydrophobicContact CD1-CD1 3.97Å; Y287-I291 HydrophobicContact CE1-CD1 3.36Å; Y287-I291 HydrophobicContact CE1-CG1 4.26Å; Y287-I291 HydrophobicContact CE2-CD1 4.4Å; Y287-I291 PolarHBondContact O-N 3.12Å; K288-I291 WeakPolarHBondContact O-CB 3.14Å; K288-I291 PolarHBondContact O-N 2.92Å; A289-I291 VanDerWaalsContact C-N 3.33Å; A289-I291 PolarHBondContact O-N 2.98Å; I291-C293 VanDerWaalsContact C-N 3.35Å; I291-D294 WeakPolarHBondContact O-CB 3.41Å; I291-D294 PolarHBondContact O-N 3Å; I291-G295 PolarHBondContact O-N 3.42Å; I291-G295 VanDerWaalsContact O-N 3.12Å
292	L	90.2	Very high	84.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-37.5	175.2	-64.1	177.4	0	0	0	111.6	E29 L33 I76 S101 L116 K288 A289 L290 D294 G295 L296	E29-L292 HydrophobicContact CG-CD1 4.42Å; L33-L292 HydrophobicContact CD2-CB 3.7Å; I76-L292 HydrophobicContact CD1-CB 4.06Å; I76-L292 HydrophobicContact CD1-CD2 4.22Å; I76-L292 HydrophobicContact CG1-CB 4.4Å; I76-L292 HydrophobicContact CG1-CD2 3.72Å; S101-L292 VanDerWaalsContact CB-CD2 3.47Å; L116-L292 HydrophobicContact CD1-CD2 4.28Å; K288-L292 PolarHBondContact O-N 3.46Å; A289-L292 WeakPolarHBondContact O-CB 3.41Å; A289-L292 PolarHBondContact O-N 2.98Å; A289-L292 VanDerWaalsContact O-N 3.15Å; L290-L292 VanDerWaalsContact C-N 3.29Å; L290-L292 PolarHBondContact O-N 3.04Å; L292-D294 VanDerWaalsContact C-N 3.3Å; L292-D294 PolarHBondContact O-N 2.86Å; L292-G295 WeakPolarHBondContact O-CA 3.45Å; L292-G295 PolarHBondContact O-N 3.43Å; L292-G295 VanDerWaalsContact O-N 3.1Å; L292-L296 PolarHBondContact O-N 3.02Å
293	C	90.4	Very high	84.2	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-38.2	172.1	-68.6	0	0	0	0	112.6	C36 A289 L290 I291 G295 L296 Q297 Y330	C36-C293 HydrophobicContact CB-CB 3.6Å; C36-C293 WeakPolarHBondContact CB-SG 3.29Å; C36-C293 WeakPolarHBondContact SG-CB 3.5Å; C36-C293 CovalentContact SG-SG 2.03Å; C36-C293 PolarHBondContact SG-SG 3.16Å; A289-C293 PolarHBondContact O-N 3.27Å; L290-C293 WeakPolarHBondContact O-CB 3.08Å; L290-C293 PolarHBondContact O-N 2.95Å; L290-C293 VanDerWaalsContact O-N 3.16Å; I291-C293 VanDerWaalsContact C-N 3.35Å; C293-G295 VanDerWaalsContact C-N 3.29Å; C293-G295 PolarHBondContact O-N 2.99Å; C293-L296 PolarHBondContact O-N 3.49Å; C293-Q297 PolarHBondContact O-N 3.29Å; C293-Y330 HydrophobicContact CB-CD2 3.56Å; C293-Y330 HydrophobicContact CB-CE2 3.99Å; C293-Y330 HydrophobicContact CB-CG 4.26Å
294	D	90.6	Very high	83.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-41.1	172.7	-64.2	-12.6	0	0	0	111.4	L290 I291 L292 L296 Q297 L298 G329 Y330 S331 V334 R342	L290-D294 VanDerWaalsContact O-CG 3.31Å; L290-D294 PolarHBondContact O-N 3.46Å; I291-D294 WeakPolarHBondContact O-CB 3.41Å; I291-D294 PolarHBondContact O-N 3Å; L292-D294 VanDerWaalsContact C-N 3.3Å; L292-D294 PolarHBondContact O-N 2.86Å; D294-L296 VanDerWaalsContact C-N 3.32Å; D294-L296 PolarHBondContact O-N 3.14Å; D294-Q297 WeakPolarHBondContact O-CB 3.29Å; D294-Q297 PolarHBondContact O-N 3.18Å; D294-L298 PolarHBondContact O-N 3.12Å; D294-G329 VanDerWaalsContact OD1-C 3.26Å; D294-G329 WeakPolarHBondContact OD1-CA 3.26Å; D294-Y330 WeakPolarHBondContact OD1-CA 3.25Å; D294-Y330 PolarHBondContact OD1-N 3.24Å; D294-S331 PolarHBondContact OD1-N 3.1Å; D294-S331 VanDerWaalsContact OD1-N 3.1Å; D294-S331 VanDerWaalsContact OD2-CB 3.28Å; D294-S331 WeakPolarHBondContact OD2-CB 3.46Å; D294-S331 PolarHBondContact OD2-N 2.88Å; D294-S331 PolarHBondContact OD2-OG 2.99Å; D294-V334 HydrophobicContact CB-CG2 3.69Å; D294-R342 IonicContact OD2-CZ 3.35Å; D294-R342 IonicContact OD2-NH1 2.66Å; D294-R342 PolarHBondContact OD2-NH1 3.1Å; D294-R342 IonicContact OD2-NH2 2.68Å; D294-R342 PolarHBondContact OD2-NH2 2.9Å
295	G	88.6	Confident	82.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-55.9	-45.1	173.4	0	0	0	0	0	113.1	L99 I291 L292 C293 Q297 L298	L99-G295 WeakPolarHBondContact CD1-O 3.1Å; I291-G295 PolarHBondContact O-N 3.42Å; I291-G295 VanDerWaalsContact O-N 3.12Å; L292-G295 WeakPolarHBondContact O-CA 3.45Å; L292-G295 PolarHBondContact O-N 3.43Å; L292-G295 VanDerWaalsContact O-N 3.1Å; C293-G295 VanDerWaalsContact C-N 3.29Å; C293-G295 PolarHBondContact O-N 2.99Å; G295-Q297 VanDerWaalsContact C-N 3.33Å; G295-L298 WeakPolarHBondContact O-CB 3.4Å; G295-L298 PolarHBondContact O-N 3.21Å
296	L	87	Confident	81.8	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-37.5	173.8	-64.8	-178.5	0	0	0	111.6	I19 L33 M37 W43 I76 L292 C293 D294 L298 L299	I19-L296 HydrophobicContact CD1-CD2 3.85Å; I19-L296 HydrophobicContact CG2-CD2 4.44Å; L33-L296 HydrophobicContact CB-CD1 4.49Å; L33-L296 HydrophobicContact CD2-CD1 3.76Å; L33-L296 HydrophobicContact CD2-CG 4.47Å; M37-L296 HydrophobicContact CG-CD1 3.73Å; M37-L296 HydrophobicContact SD-CD1 4.28Å; W43-L296 WeakPolarHBondContact CZ2-O 3.22Å; I76-L296 HydrophobicContact CD1-CD2 3.77Å; I76-L296 HydrophobicContact CD1-CG 3.84Å; L292-L296 PolarHBondContact O-N 3.02Å; C293-L296 PolarHBondContact O-N 3.49Å; D294-L296 VanDerWaalsContact C-N 3.32Å; D294-L296 PolarHBondContact O-N 3.14Å; L296-L298 PolarHBondContact O-N 3.41Å; L296-L299 WeakPolarHBondContact O-CB 3.45Å; L296-L299 PolarHBondContact O-N 3.47Å
297	Q	86.2	Confident	80.6	Confident	45 Å²	45	40.1 Å²	40.1	21%	0.21	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-30.5	179.5	-164.7	67.1	18.2	0	0	112.8	C293 D294 G295 L299 N300	C293-Q297 PolarHBondContact O-N 3.29Å; D294-Q297 WeakPolarHBondContact O-CB 3.29Å; D294-Q297 PolarHBondContact O-N 3.18Å; G295-Q297 VanDerWaalsContact C-N 3.33Å; Q297-L299 PolarHBondContact O-N 3.36Å; Q297-N300 PolarHBondContact NE2-ND2 2.92Å; Q297-N300 WeakPolarHBondContact O-CB 3.28Å; Q297-N300 PolarHBondContact O-N 3.4Å; Q297-N300 VanDerWaalsContact O-N 3.1Å
298	L	84.9	Confident	79.8	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.4	175.8	-66.5	163.7	0	0	0	113.4	L116 D294 G295 L296 N300 H321 V322 T327 V334 I336	L116-L298 HydrophobicContact CD2-CD1 3.91Å; D294-L298 PolarHBondContact O-N 3.12Å; G295-L298 WeakPolarHBondContact O-CB 3.4Å; G295-L298 PolarHBondContact O-N 3.21Å; L296-L298 PolarHBondContact O-N 3.41Å; L298-N300 VanDerWaalsContact C-N 3.29Å; L298-H321 PolarHBondContact O-CD2 3.34Å; L298-H321 VanDerWaalsContact O-CD2 3.25Å; L298-H321 PolarHBondContact O-NE2 3.36Å; L298-V322 HydrophobicContact CB-CG1 4.03Å; L298-V322 HydrophobicContact CB-CG2 4.36Å; L298-V322 HydrophobicContact CD1-CG1 3.91Å; L298-V322 HydrophobicContact CG-CG1 4.44Å; L298-T327 HydrophobicContact CD2-CG2 4.2Å; L298-T327 WeakPolarHBondContact CD2-OG1 3.42Å; L298-V334 HydrophobicContact CD1-CG1 4.18Å; L298-V334 HydrophobicContact CD2-CG1 4Å; L298-V334 HydrophobicContact CG-CG1 4.33Å; L298-I336 HydrophobicContact CD1-CD1 3.92Å; L298-I336 HydrophobicContact CD1-CG1 3.59Å; L298-I336 HydrophobicContact CD2-CG1 4.01Å; L298-I336 HydrophobicContact CG-CG1 4.47Å
299	L	81.8	Confident	78.9	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.058	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.4	179.1	-60.1	172.2	0	0	0	112.4	W43 L74 L97 L99 L296 Q297 N301 Y302 L318 V322	W43-L299 HydrophobicContact CH2-CB 3.48Å; W43-L299 VanDerWaalsContact CH2-CB 3.48Å; W43-L299 HydrophobicContact CH2-CD1 3.83Å; W43-L299 HydrophobicContact CH2-CG 4.3Å; W43-L299 HydrophobicContact CZ2-CB 3.69Å; L74-L299 HydrophobicContact CD2-CD1 3.4Å; L74-L299 VanDerWaalsContact CD2-CD1 3.4Å; L97-L299 HydrophobicContact CD2-CD2 4.36Å; L99-L299 HydrophobicContact CD1-CD1 4.21Å; L296-L299 WeakPolarHBondContact O-CB 3.45Å; L296-L299 PolarHBondContact O-N 3.47Å; Q297-L299 PolarHBondContact O-N 3.36Å; L299-N301 PolarHBondContact O-N 3.1Å; L299-Y302 VanDerWaalsContact O-CB 3.28Å; L299-Y302 WeakPolarHBondContact O-CB 3.33Å; L299-Y302 PolarHBondContact O-N 3.01Å; L299-Y302 VanDerWaalsContact O-N 3.14Å; L299-L318 HydrophobicContact CD2-CD1 3.67Å; L299-L318 HydrophobicContact CD2-CG 4.35Å; L299-V322 HydrophobicContact CD2-CG2 3.83Å
300	N	79.1	Confident	78.2	Confident	33 Å²	33	51.6 Å²	51.6	18%	0.176	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	139.2	-179.7	-160.1	10.3	0	0	0	110.6	S42 Q297 L298 Y302 H321	S42-N300 WeakPolarHBondContact CB-OD1 3.3Å; S42-N300 PolarHBondContact OG-OD1 2.9Å; Q297-N300 PolarHBondContact NE2-ND2 2.92Å; Q297-N300 WeakPolarHBondContact O-CB 3.28Å; Q297-N300 PolarHBondContact O-N 3.4Å; Q297-N300 VanDerWaalsContact O-N 3.1Å; L298-N300 VanDerWaalsContact C-N 3.29Å; N300-Y302 PolarHBondContact O-N 3.5Å; N300-Y302 VanDerWaalsContact O-N 3.12Å; N300-H321 PolarHBondContact O-NE2 3.07Å
301	N	75.2	Confident	77.1	Confident	131 Å²	131	54.3 Å²	54.3	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	7.4	-173.3	-55.3	-35	0	0	0	116.1	L299 T303	L299-N301 PolarHBondContact O-N 3.1Å; N301-T303 PolarHBondContact O-N 3.11Å
302	Y	75.4	Confident	76.3	Confident	44 Å²	44	57.5 Å²	57.5	17%	0.173	32%	0.316	C	S	.	.			trans	-62.7	126.7	170	176.4	-106.4	0	0	0	109.1	L299 N300 A304 L318 H321	L299-Y302 VanDerWaalsContact O-CB 3.28Å; L299-Y302 WeakPolarHBondContact O-CB 3.33Å; L299-Y302 PolarHBondContact O-N 3.01Å; L299-Y302 VanDerWaalsContact O-N 3.14Å; N300-Y302 PolarHBondContact O-N 3.5Å; N300-Y302 VanDerWaalsContact O-N 3.12Å; Y302-A304 HydrophobicContact CE1-CB 4.33Å; Y302-L318 HydrophobicContact CD1-CD1 3.69Å; Y302-L318 HydrophobicContact CD2-CD1 3.86Å; Y302-L318 HydrophobicContact CE1-CD1 3.6Å; Y302-L318 HydrophobicContact CE2-CB 4.29Å; Y302-L318 HydrophobicContact CE2-CD1 3.78Å; Y302-L318 HydrophobicContact CG-CD1 3.81Å; Y302-H321 HydrophobicContact CD2-CB 3.85Å; Y302-H321 AromaticContact CD2-CG 3.69Å; Y302-H321 AromaticContact CD2-ND1 3.94Å; Y302-H321 HydrophobicContact CE2-CB 4.34Å
303	T	69.3	Low	75.6	Confident	120 Å²	120	62.1 Å²	62.1	74%	0.736	34%	0.338	S	S	*	.			trans	-120	121.1	172.7	49.8	0	0	0	0	108.1	N301	N301-T303 PolarHBondContact O-N 3.11Å
304	A	66.3	Low	74.8	Confident	54 Å²	54	64.4 Å²	64.4	45%	0.446	35%	0.348	S	S	.	.			trans	-58.7	139.9	178.2	0	0	0	0	0	110	Y302	Y302-A304 HydrophobicContact CE1-CB 4.33Å
305	P	67.7	Low	74.4	Confident	38 Å²	38	65.5 Å²	65.5	25%	0.247	35%	0.354	C	S	.	.			trans	-59.2	141.6	179.2	-14.4	24	0	0	0	110.9	G307 L309 Y317	P305-G307 PolarHBondContact O-N 3.22Å; P305-G307 VanDerWaalsContact O-N 3.14Å; P305-L309 HydrophobicContact CB-CD1 3.73Å; P305-L309 HydrophobicContact CG-CD1 3.93Å; P305-Y317 HydrophobicContact CG-CD1 3.84Å; P305-Y317 HydrophobicContact CG-CD2 3.7Å; P305-Y317 HydrophobicContact CG-CE1 4.15Å; P305-Y317 HydrophobicContact CG-CE2 4.02Å; P305-Y317 HydrophobicContact CG-CG 3.6Å
306	R	61.8	Low	74.1	Confident	259 Å²	259	68.9 Å²	68.9	98%	0.977	38%	0.376	S	S	*	.	S	Bend	trans	-63.5	115.8	-179.3	-70.5	-176.7	179.4	177.1	0.5	111
307	G	63.1	Low	73.9	Confident	53 Å²	53	74.8 Å²	74.8	55%	0.546	40%	0.399	S	S	.	.	S	Bend	trans	146.4	151	177.7	0	0	0	0	0	110.4	P305 L309	P305-G307 PolarHBondContact O-N 3.22Å; P305-G307 VanDerWaalsContact O-N 3.14Å; G307-L309 PolarHBondContact O-N 2.83Å
308	N	66.5	Low	73.8	Confident	179 Å²	179	73.2 Å²	73.2	96%	0.957	39%	0.392	S	S	*	.			trans	-71.4	64.3	172.6	-107.3	10.3	0	0	0	109.8
309	L	66.9	Low	73.9	Confident	48 Å²	48	75.2 Å²	75.2	25%	0.251	40%	0.399	S	S	.	.			trans	-75.7	131.8	178.2	-67.7	174.3	0	0	0	109.1	P305 G307 Q313 Q314	P305-L309 HydrophobicContact CB-CD1 3.73Å; P305-L309 HydrophobicContact CG-CD1 3.93Å; G307-L309 PolarHBondContact O-N 2.83Å; L309-Q313 HydrophobicContact CB-CB 4.01Å; L309-Q313 HydrophobicContact CD2-CB 4.04Å; L309-Q313 HydrophobicContact CG-CB 4.49Å; L309-Q314 HydrophobicContact CB-CG 3.87Å; L309-Q314 PolarHBondContact O-NE2 2.84Å
310	S	71.2	Confident	74	Confident	58 Å²	58	80 Å²	80	41%	0.406	43%	0.425	S	S	.	.			trans	-60.6	156.5	170.3	62.2	0	0	0	0	111.1	V312 Q313 Q314	S310-V312 PolarHBondContact O-N 2.96Å; S310-V312 VanDerWaalsContact O-N 3.11Å; S310-Q313 WeakPolarHBondContact O-CA 3.29Å; S310-Q313 WeakPolarHBondContact O-CB 3.37Å; S310-Q313 PolarHBondContact O-N 3.45Å; S310-Q313 WeakPolarHBondContact OG-CG 3.12Å; S310-Q313 PolarHBondContact OG-OE1 2.96Å; S310-Q314 PolarHBondContact O-N 3.3Å; S310-Q314 VanDerWaalsContact O-N 3.09Å
311	I	68.4	Low	74.3	Confident	56 Å²	56	81.3 Å²	81.3	29%	0.287	43%	0.43	S	S	.	.	H	α-helix	trans	-51.2	-38	177.2	-162.6	99.7	0	0	0	112.1	D73 Q313 Q314 L315	D73-I311 HydrophobicContact CB-CD1 4.31Å; I311-Q313 VanDerWaalsContact C-N 3.28Å; I311-Q313 PolarHBondContact O-N 3Å; I311-Q314 PolarHBondContact O-N 3.13Å; I311-Q314 VanDerWaalsContact O-N 3.15Å; I311-L315 PolarHBondContact O-N 3.33Å
312	V	70.8	Confident	74.9	Confident	68 Å²	68	75 Å²	75	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-36.3	177.5	-172.3	0	0	0	0	111.9	H95 S310 P316	H95-V312 HydrophobicContact CB-CB 4.47Å; H95-V312 HydrophobicContact CB-CG2 3.86Å; S310-V312 PolarHBondContact O-N 2.96Å; S310-V312 VanDerWaalsContact O-N 3.11Å; V312-P316 WeakPolarHBondContact O-CD 3.38Å
313	Q	75.4	Confident	75.4	Confident	98 Å²	98	73.4 Å²	73.4	46%	0.458	39%	0.391	S	S	.	.	H	α-helix	trans	-80	-26.1	178.4	-70.4	168.1	-45.5	0	0	112.5	L309 S310 I311 Y317	L309-Q313 HydrophobicContact CB-CB 4.01Å; L309-Q313 HydrophobicContact CD2-CB 4.04Å; L309-Q313 HydrophobicContact CG-CB 4.49Å; S310-Q313 WeakPolarHBondContact O-CA 3.29Å; S310-Q313 WeakPolarHBondContact O-CB 3.37Å; S310-Q313 PolarHBondContact O-N 3.45Å; S310-Q313 WeakPolarHBondContact OG-CG 3.12Å; S310-Q313 PolarHBondContact OG-OE1 2.96Å; I311-Q313 VanDerWaalsContact C-N 3.28Å; I311-Q313 PolarHBondContact O-N 3Å; Q313-Y317 VanDerWaalsContact O-CD2 3.23Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.48Å; Q313-Y317 WeakPolarHBondContact O-CE2 3.34Å
314	Q	73.7	Confident	76.1	Confident	48 Å²	48	69.8 Å²	69.8	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-79.7	-33.1	177.9	-64.1	-174.5	25.6	0	0	112.4	L309 S310 I311 Y317 L318	L309-Q314 HydrophobicContact CB-CG 3.87Å; L309-Q314 PolarHBondContact O-NE2 2.84Å; S310-Q314 PolarHBondContact O-N 3.3Å; S310-Q314 VanDerWaalsContact O-N 3.09Å; I311-Q314 PolarHBondContact O-N 3.13Å; I311-Q314 VanDerWaalsContact O-N 3.15Å; Q314-Y317 WeakPolarHBondContact O-CB 3.46Å; Q314-Y317 PolarHBondContact O-N 3.47Å; Q314-L318 PolarHBondContact O-N 3.3Å
315	L	82.4	Confident	76.6	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	36%	0.358	C	S	.	.	H	α-helix	trans	-52.1	-43.7	-174.7	178	69.2	0	0	0	114.6	H95 L97 T112 I311 Y317 L318 W319	H95-L315 HydrophobicContact CB-CD2 4.28Å; L97-L315 HydrophobicContact CB-CD1 4.06Å; T112-L315 HydrophobicContact CG2-CD1 4.45Å; T112-L315 HydrophobicContact CG2-CD2 3.65Å; I311-L315 PolarHBondContact O-N 3.33Å; L315-Y317 VanDerWaalsContact C-N 3.34Å; L315-Y317 PolarHBondContact O-N 3.14Å; L315-L318 PolarHBondContact O-N 3.03Å; L315-W319 WeakPolarHBondContact O-CB 3.45Å; L315-W319 PolarHBondContact O-N 3.37Å
316	P	83.4	Confident	77.4	Confident	70 Å²	70	72.4 Å²	72.4	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-63.3	-36.1	175.9	-23.6	34.7	0	0	0	113.8	V312 N320	V312-P316 WeakPolarHBondContact O-CD 3.38Å; P316-N320 WeakPolarHBondContact O-CB 3.28Å; P316-N320 PolarHBondContact O-N 3.21Å; P316-N320 PolarHBondContact O-ND2 3.31Å
317	Y	82.7	Confident	78.6	Confident	129 Å²	129	62 Å²	62	51%	0.506	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-42.3	176.4	-65.8	-84.9	0	0	0	111.1	P305 Q313 Q314 L315 N320 H321	P305-Y317 HydrophobicContact CG-CD1 3.84Å; P305-Y317 HydrophobicContact CG-CD2 3.7Å; P305-Y317 HydrophobicContact CG-CE1 4.15Å; P305-Y317 HydrophobicContact CG-CE2 4.02Å; P305-Y317 HydrophobicContact CG-CG 3.6Å; Q313-Y317 VanDerWaalsContact O-CD2 3.23Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.48Å; Q313-Y317 WeakPolarHBondContact O-CE2 3.34Å; Q314-Y317 WeakPolarHBondContact O-CB 3.46Å; Q314-Y317 PolarHBondContact O-N 3.47Å; L315-Y317 VanDerWaalsContact C-N 3.34Å; L315-Y317 PolarHBondContact O-N 3.14Å; Y317-N320 PolarHBondContact O-N 3.05Å; Y317-H321 WeakPolarHBondContact O-CB 3.22Å; Y317-H321 PolarHBondContact O-N 3.42Å
318	L	83.3	Confident	79.7	Confident	13 Å²	13	65.4 Å²	65.4	7%	0.068	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-43.1	176.7	-169.3	67.7	0	0	0	111.5	L97 L299 Y302 Q314 L315 N320 H321 V322	L97-L318 HydrophobicContact CB-CD2 3.79Å; L97-L318 HydrophobicContact CD2-CD2 3.53Å; L97-L318 HydrophobicContact CD2-CG 3.83Å; L97-L318 HydrophobicContact CG-CD2 4.26Å; L299-L318 HydrophobicContact CD2-CD1 3.67Å; L299-L318 HydrophobicContact CD2-CG 4.35Å; Y302-L318 HydrophobicContact CD1-CD1 3.69Å; Y302-L318 HydrophobicContact CD2-CD1 3.86Å; Y302-L318 HydrophobicContact CE1-CD1 3.6Å; Y302-L318 HydrophobicContact CE2-CB 4.29Å; Y302-L318 HydrophobicContact CE2-CD1 3.78Å; Y302-L318 HydrophobicContact CG-CD1 3.81Å; Q314-L318 PolarHBondContact O-N 3.3Å; L315-L318 PolarHBondContact O-N 3.03Å; L318-N320 PolarHBondContact O-N 2.88Å; L318-H321 WeakPolarHBondContact O-CB 3.47Å; L318-H321 PolarHBondContact O-N 3.44Å; L318-V322 WeakPolarHBondContact O-CG2 3.34Å; L318-V322 PolarHBondContact O-N 2.88Å; L318-V322 VanDerWaalsContact O-N 3.12Å
319	W	87.1	Confident	80.7	Confident	45 Å²	45	57.3 Å²	57.3	17%	0.17	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-47.7	175.2	-176.6	-89.2	0	0	0	111.8	L97 S111 I114 L315 H321 V322 T323	L97-W319 HydrophobicContact CD1-CE3 3.97Å; L97-W319 HydrophobicContact CD1-CZ3 4.31Å; S111-W319 VanDerWaalsContact O-CH2 3.26Å; S111-W319 WeakPolarHBondContact O-CH2 3.37Å; S111-W319 WeakPolarHBondContact O-CZ3 3.46Å; I114-W319 HydrophobicContact CD1-CE3 3.95Å; I114-W319 HydrophobicContact CD1-CH2 3.76Å; I114-W319 HydrophobicContact CD1-CZ2 4.49Å; I114-W319 HydrophobicContact CD1-CZ3 3.43Å; I114-W319 VanDerWaalsContact CD1-CZ3 3.43Å; I114-W319 HydrophobicContact CG1-CZ3 4.28Å; L315-W319 WeakPolarHBondContact O-CB 3.45Å; L315-W319 PolarHBondContact O-N 3.37Å; W319-H321 PolarHBondContact O-N 2.9Å; W319-V322 PolarHBondContact O-N 2.95Å; W319-T323 HydrophobicContact CD2-CG2 4Å; W319-T323 HydrophobicContact CG-CG2 4.33Å; W319-T323 HydrophobicContact CH2-CG2 4.49Å; W319-T323 HydrophobicContact CZ2-CG2 3.85Å; W319-T323 WeakPolarHBondContact O-CB 3.44Å; W319-T323 WeakPolarHBondContact O-CG2 3.15Å; W319-T323 PolarHBondContact O-N 2.62Å; W319-T323 PolarHBondContact O-OG1 3.14Å
320	N	85	Confident	81.6	Confident	113 Å²	113	57.5 Å²	57.5	60%	0.604	29%	0.293	S	S	*	.	H	α-helix	trans	-67.8	-23.8	178.7	-69.6	-11.3	0	0	0	113.2	P316 Y317 L318	P316-N320 WeakPolarHBondContact O-CB 3.28Å; P316-N320 PolarHBondContact O-N 3.21Å; P316-N320 PolarHBondContact O-ND2 3.31Å; Y317-N320 PolarHBondContact O-N 3.05Å; L318-N320 PolarHBondContact O-N 2.88Å
321	H	85	Confident	82.3	Confident	59 Å²	59	55 Å²	55	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-74.4	-35.6	173.6	-175.9	88.2	0	0	0	111.9	L298 N300 Y302 Y317 L318 W319 T325	L298-H321 PolarHBondContact O-CD2 3.34Å; L298-H321 VanDerWaalsContact O-CD2 3.25Å; L298-H321 PolarHBondContact O-NE2 3.36Å; N300-H321 PolarHBondContact O-NE2 3.07Å; Y302-H321 HydrophobicContact CD2-CB 3.85Å; Y302-H321 AromaticContact CD2-CG 3.69Å; Y302-H321 AromaticContact CD2-ND1 3.94Å; Y302-H321 HydrophobicContact CE2-CB 4.34Å; Y317-H321 WeakPolarHBondContact O-CB 3.22Å; Y317-H321 PolarHBondContact O-N 3.42Å; L318-H321 WeakPolarHBondContact O-CB 3.47Å; L318-H321 PolarHBondContact O-N 3.44Å; W319-H321 PolarHBondContact O-N 2.9Å; H321-T325 WeakPolarHBondContact O-CG2 3.41Å; H321-T325 PolarHBondContact O-OG1 3.38Å
322	V	87.1	Confident	83.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-91.9	-26.9	-173.1	175.8	0	0	0	0	112.9	L97 I114 L298 L299 L318 W319 T325 I336	L97-V322 HydrophobicContact CD2-CG2 4.42Å; I114-V322 HydrophobicContact CD1-CG1 4.24Å; I114-V322 HydrophobicContact CG1-CG1 4.12Å; L298-V322 HydrophobicContact CB-CG1 4.03Å; L298-V322 HydrophobicContact CB-CG2 4.36Å; L298-V322 HydrophobicContact CD1-CG1 3.91Å; L298-V322 HydrophobicContact CG-CG1 4.44Å; L299-V322 HydrophobicContact CD2-CG2 3.83Å; L318-V322 WeakPolarHBondContact O-CG2 3.34Å; L318-V322 PolarHBondContact O-N 2.88Å; L318-V322 VanDerWaalsContact O-N 3.12Å; W319-V322 PolarHBondContact O-N 2.95Å; V322-T325 PolarHBondContact O-OG1 3.15Å; V322-T325 VanDerWaalsContact O-OG1 3.11Å; V322-I336 HydrophobicContact CG1-CG1 4.48Å; V322-I336 WeakPolarHBondContact O-CB 3.42Å
323	T	87.2	Confident	83.9	Confident	10 Å²	10	50.2 Å²	50.2	6%	0.061	25%	0.25	C	C	.	.	S	Bend	trans	-95.8	153.3	-179.6	57	0	0	0	0	112.1	I114 W319 T325 I336	I114-T323 HydrophobicContact CD1-CG2 4.05Å; W319-T323 HydrophobicContact CD2-CG2 4Å; W319-T323 HydrophobicContact CG-CG2 4.33Å; W319-T323 HydrophobicContact CH2-CG2 4.49Å; W319-T323 HydrophobicContact CZ2-CG2 3.85Å; W319-T323 WeakPolarHBondContact O-CB 3.44Å; W319-T323 WeakPolarHBondContact O-CG2 3.15Å; W319-T323 PolarHBondContact O-N 2.62Å; W319-T323 PolarHBondContact O-OG1 3.14Å; T323-T325 PolarHBondContact O-N 3.43Å; T323-I336 HydrophobicContact CG2-CG2 3.99Å
324	N	82.1	Confident	84.5	Confident	44 Å²	44	45.5 Å²	45.5	24%	0.235	23%	0.228	C	C	.	.	S	Bend	trans	55.9	28.6	-174.5	-155	33.3	0	0	0	113.6	I336 N338 S367	N324-I336 WeakPolarHBondContact CA-O 3.46Å; N324-I336 PolarHBondContact N-O 2.95Å; N324-N338 VanDerWaalsContact CB-OD1 3.25Å; N324-N338 WeakPolarHBondContact CB-OD1 3.28Å; N324-S367 PolarHBondContact OD1-N 2.96Å
325	T	78	Confident	85.2	Confident	42 Å²	42	43.4 Å²	43.4	26%	0.258	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136	179.2	54.4	0	0	0	0	111	H321 V322 T323	H321-T325 WeakPolarHBondContact O-CG2 3.41Å; H321-T325 PolarHBondContact O-OG1 3.38Å; V322-T325 PolarHBondContact O-OG1 3.15Å; V322-T325 VanDerWaalsContact O-OG1 3.11Å; T323-T325 PolarHBondContact O-N 3.43Å
326	E	84.9	Confident	85.5	Confident	104 Å²	104	42.3 Å²	42.3	49%	0.486	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127	171	-166.1	170	-163.8	0	0	109.5	V334 F335 Y345	E326-V334 CarbonylContact C-O 3.58Å; E326-V334 WeakPolarHBondContact CA-O 3.39Å; E326-F335 HydrophobicContact CB-CD2 3.84Å; E326-F335 HydrophobicContact CB-CE2 4.44Å; E326-F335 HydrophobicContact CG-CD2 4.31Å; E326-Y345 VanDerWaalsContact CD-OH 3.24Å; E326-Y345 WeakPolarHBondContact CG-OH 3.49Å; E326-Y345 PolarHBondContact OE1-OH 3.43Å
327	T	86	Confident	85.5	Confident	40 Å²	40	39 Å²	39	25%	0.245	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	174.7	62	0	0	0	0	111	L298 G329 V334	L298-T327 HydrophobicContact CD2-CG2 4.2Å; L298-T327 WeakPolarHBondContact CD2-OG1 3.42Å; T327-G329 PolarHBondContact O-N 2.9Å; T327-V334 PolarHBondContact N-O 2.89Å; T327-V334 PolarHBondContact O-N 3.37Å
328	Q	86.7	Confident	85.4	Confident	126 Å²	126	35.2 Å²	35.2	59%	0.589	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88	108.9	173.8	-170.6	66.5	21.2	0	0	109.9
329	G	86.8	Confident	85.3	Confident	9 Å²	9	37 Å²	37	9%	0.093	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	172.4	174.1	0	0	0	0	0	113.7	D294 T327 G332	D294-G329 VanDerWaalsContact OD1-C 3.26Å; D294-G329 WeakPolarHBondContact OD1-CA 3.26Å; T327-G329 PolarHBondContact O-N 2.9Å; G329-G332 CarbonylContact C-O 3.57Å; G329-G332 WeakPolarHBondContact CA-O 3.18Å; G329-G332 PolarHBondContact N-O 3.2Å; G329-G332 PolarHBondContact O-N 2.98Å
330	Y	87	Confident	85.2	Confident	51 Å²	51	34.9 Å²	34.9	20%	0.2	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-36.9	171.1	-65.5	-87.4	0	0	0	112.6	C36 N39 F274 C293 D294 G332	C36-Y330 HydrophobicContact CB-CE2 3.96Å; C36-Y330 PolarHBondContact O-OH 3.31Å; N39-Y330 WeakPolarHBondContact CB-OH 3.41Å; N39-Y330 PolarHBondContact ND2-OH 3.12Å; F274-Y330 AromaticContact CD2-CD1 3.83Å; F274-Y330 HydrophobicContact CD2-CD1 3.83Å; F274-Y330 HydrophobicContact CD2-CE1 4.37Å; F274-Y330 AromaticContact CE2-CD1 3.66Å; F274-Y330 HydrophobicContact CE2-CD1 3.66Å; F274-Y330 AromaticContact CE2-CE1 3.86Å; F274-Y330 HydrophobicContact CE2-CE1 3.86Å; C293-Y330 HydrophobicContact CB-CD2 3.56Å; C293-Y330 HydrophobicContact CB-CE2 3.99Å; C293-Y330 HydrophobicContact CB-CG 4.26Å; D294-Y330 WeakPolarHBondContact OD1-CA 3.25Å; D294-Y330 PolarHBondContact OD1-N 3.24Å; Y330-G332 PolarHBondContact O-N 2.79Å
331	S	85.1	Confident	85.3	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.042	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.5	173.1	81.8	0	0	0	0	113.2	H265 D294 R342	H265-S331 PolarHBondContact ND1-O 3.15Å; D294-S331 PolarHBondContact OD1-N 3.1Å; D294-S331 VanDerWaalsContact OD1-N 3.1Å; D294-S331 VanDerWaalsContact OD2-CB 3.28Å; D294-S331 WeakPolarHBondContact OD2-CB 3.46Å; D294-S331 PolarHBondContact OD2-N 2.88Å; D294-S331 PolarHBondContact OD2-OG 2.99Å; S331-R342 PolarHBondContact OG-NH1 3.1Å; S331-R342 PolarHBondContact OG-NH2 3.45Å
332	G	85.2	Confident	85.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.8	-165.1	-177.9	0	0	0	0	0	113	G329 Y330 V334	G329-G332 CarbonylContact C-O 3.57Å; G329-G332 WeakPolarHBondContact CA-O 3.18Å; G329-G332 PolarHBondContact N-O 3.2Å; G329-G332 PolarHBondContact O-N 2.98Å; Y330-G332 PolarHBondContact O-N 2.79Å; G332-V334 WeakPolarHBondContact O-CG2 3.17Å
333	P	87.6	Confident	85.4	Confident	23 Å²	23	27.2 Å²	27.2	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	143.4	-178.3	27.6	-35.3	0	0	0	111.2	H265 R342 Y345	H265-P333 PolarHBondContact CE1-O 2.94Å; H265-P333 PolarHBondContact NE2-O 3.12Å; P333-R342 PolarHBondContact O-NH2 3.45Å; P333-Y345 HydrophobicContact CB-CD1 4.31Å; P333-Y345 HydrophobicContact CB-CD2 4.26Å; P333-Y345 HydrophobicContact CB-CE1 3.85Å; P333-Y345 HydrophobicContact CB-CE2 3.84Å; P333-Y345 HydrophobicContact CB-CG 4.49Å; P333-Y345 HydrophobicContact CG-CD1 3.78Å; P333-Y345 HydrophobicContact CG-CD2 3.84Å; P333-Y345 HydrophobicContact CG-CE1 3.85Å; P333-Y345 HydrophobicContact CG-CE2 3.96Å; P333-Y345 HydrophobicContact CG-CG 3.77Å
334	V	88.6	Confident	85.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.3	-176.1	-173.9	0	0	0	0	106.8	D294 L298 E326 T327 G332 I336 R342	D294-V334 HydrophobicContact CB-CG2 3.69Å; L298-V334 HydrophobicContact CD1-CG1 4.18Å; L298-V334 HydrophobicContact CD2-CG1 4Å; L298-V334 HydrophobicContact CG-CG1 4.33Å; E326-V334 CarbonylContact C-O 3.58Å; E326-V334 WeakPolarHBondContact CA-O 3.39Å; T327-V334 PolarHBondContact N-O 2.89Å; T327-V334 PolarHBondContact O-N 3.37Å; G332-V334 WeakPolarHBondContact O-CG2 3.17Å; V334-I336 HydrophobicContact CG1-CD1 3.92Å; V334-I336 HydrophobicContact CG1-CG1 4.34Å; V334-R342 HydrophobicContact CG1-CG 4.29Å
335	F	88.5	Confident	85.7	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.6	169.2	-169.3	-79.8	0	0	0	108.4	E326 R342 L343 Y345 P364 E366	E326-F335 HydrophobicContact CB-CD2 3.84Å; E326-F335 HydrophobicContact CB-CE2 4.44Å; E326-F335 HydrophobicContact CG-CD2 4.31Å; F335-R342 WeakPolarHBondContact O-CA 3.36Å; F335-L343 HydrophobicContact CD1-CB 4.4Å; F335-L343 HydrophobicContact CD1-CD1 3.65Å; F335-L343 HydrophobicContact CD1-CG 4.2Å; F335-L343 HydrophobicContact CE1-CD1 3.94Å; F335-L343 PolarHBondContact O-N 3.37Å; F335-Y345 HydrophobicContact CB-CE2 4.12Å; F335-P364 HydrophobicContact CB-CB 4.2Å; F335-P364 HydrophobicContact CB-CG 3.52Å; F335-P364 HydrophobicContact CD1-CB 3.92Å; F335-P364 HydrophobicContact CD1-CG 4.21Å; F335-P364 HydrophobicContact CD2-CG 4.38Å; F335-P364 HydrophobicContact CE1-CB 4.45Å; F335-P364 HydrophobicContact CG-CB 3.95Å; F335-P364 HydrophobicContact CG-CG 3.79Å; F335-E366 HydrophobicContact CE2-CG 4.25Å
336	I	87.6	Confident	86.4	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.9	175.4	-54.9	-54.3	0	0	0	108.3	I114 L116 L298 V322 T323 N324 V334 R342	I114-I336 HydrophobicContact CD1-CG2 4.11Å; I114-I336 HydrophobicContact CG2-CD1 4.01Å; I114-I336 HydrophobicContact CG2-CG1 4.33Å; I114-I336 HydrophobicContact CG2-CG2 4.05Å; L116-I336 HydrophobicContact CD2-CD1 4.41Å; L298-I336 HydrophobicContact CD1-CD1 3.92Å; L298-I336 HydrophobicContact CD1-CG1 3.59Å; L298-I336 HydrophobicContact CD2-CG1 4.01Å; L298-I336 HydrophobicContact CG-CG1 4.47Å; V322-I336 HydrophobicContact CG1-CG1 4.48Å; V322-I336 WeakPolarHBondContact O-CB 3.42Å; T323-I336 HydrophobicContact CG2-CG2 3.99Å; N324-I336 WeakPolarHBondContact CA-O 3.46Å; N324-I336 PolarHBondContact N-O 2.95Å; V334-I336 HydrophobicContact CG1-CD1 3.92Å; V334-I336 HydrophobicContact CG1-CG1 4.34Å; I336-R342 HydrophobicContact CD1-CB 3.64Å; I336-R342 HydrophobicContact CD1-CG 4.01Å
337	G	83.7	Confident	86.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.			trans	-63.2	167	175.7	0	0	0	0	0	112.9	D339 G340 V341 N377	G337-D339 PolarHBondContact O-N 3.42Å; G337-G340 PolarHBondContact O-N 3.46Å; G337-V341 PolarHBondContact N-O 3.13Å; G337-N377 WeakPolarHBondContact CA-OD1 3.25Å
338	N	81.6	Confident	87	Confident	51 Å²	51	18.5 Å²	18.5	27%	0.273	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.1	176.9	-67.6	1.1	0	0	0	112.2	N324 G340 N377	N324-N338 VanDerWaalsContact CB-OD1 3.25Å; N324-N338 WeakPolarHBondContact CB-OD1 3.28Å; N338-G340 PolarHBondContact O-N 3.36Å; N338-N377 PolarHBondContact N-OD1 3.24Å
339	D	81	Confident	87.2	Confident	50 Å²	50	13.4 Å²	13.4	27%	0.267	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-5.3	174	65.2	-18.4	0	0	0	113	T106 K109 G337 V341 N377	T106-D339 HydrophobicContact CG2-CB 3.85Å; T106-D339 WeakPolarHBondContact CG2-OD2 3.48Å; K109-D339 WeakPolarHBondContact CE-O 3.48Å; K109-D339 PolarHBondContact NZ-O 2.92Å; G337-D339 PolarHBondContact O-N 3.42Å; D339-V341 PolarHBondContact OD1-N 2.64Å; D339-N377 PolarHBondContact OD1-ND2 2.94Å; D339-N377 PolarHBondContact OD2-ND2 2.64Å
340	G	85.6	Confident	87.4	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	78.9	19.6	-178.4	0	0	0	0	0	113.9	I114 A115 G337 N338	I114-G340 CarbonylContact C-O 3.39Å; I114-G340 VanDerWaalsContact CA-O 3.23Å; I114-G340 WeakPolarHBondContact CA-O 3.36Å; A115-G340 PolarHBondContact N-O 3.12Å; G337-G340 PolarHBondContact O-N 3.46Å; N338-G340 PolarHBondContact O-N 3.36Å
341	V	86.4	Confident	87.3	Confident	8 Å²	8	12.1 Å²	12.1	5%	0.048	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-104.8	133.9	175.6	-178.8	0	0	0	0	109.2	T106 K109 A115 G337 D339 L343	T106-V341 HydrophobicContact CG2-CG2 3.92Å; K109-V341 HydrophobicContact CD-CG2 4.13Å; A115-V341 HydrophobicContact CB-CG2 4.49Å; G337-V341 PolarHBondContact N-O 3.13Å; D339-V341 PolarHBondContact OD1-N 2.64Å; V341-L343 PolarHBondContact O-N 3.35Å
342	R	88	Confident	87.2	Confident	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.8	172	-174	-176.9	178.3	170	-0.4	109.9	A115 L116 P118 H265 D294 S331 P333 V334 F335 I336	A115-R342 WeakPolarHBondContact O-CB 3.33Å; A115-R342 PolarHBondContact O-N 3.5Å; L116-R342 WeakPolarHBondContact O-CD 3.05Å; L116-R342 PolarHBondContact O-NH1 3Å; P118-R342 HydrophobicContact CB-CG 4.18Å; H265-R342 PolarHBondContact CE1-NH2 3.43Å; H265-R342 PolarHBondContact ND1-NH2 3.11Å; D294-R342 IonicContact OD2-CZ 3.35Å; D294-R342 IonicContact OD2-NH1 2.66Å; D294-R342 PolarHBondContact OD2-NH1 3.1Å; D294-R342 IonicContact OD2-NH2 2.68Å; D294-R342 PolarHBondContact OD2-NH2 2.9Å; S331-R342 PolarHBondContact OG-NH1 3.1Å; S331-R342 PolarHBondContact OG-NH2 3.45Å; P333-R342 PolarHBondContact O-NH2 3.45Å; V334-R342 HydrophobicContact CG1-CG 4.29Å; F335-R342 WeakPolarHBondContact O-CA 3.36Å; I336-R342 HydrophobicContact CD1-CB 3.64Å; I336-R342 HydrophobicContact CD1-CG 4.01Å
343	L	86.5	Confident	86.9	Confident	3 Å²	3	22 Å²	22	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.3	179.8	-63.6	-176.2	0	0	0	110.7	F335 V341 P364 N377 Y379	F335-L343 HydrophobicContact CD1-CB 4.4Å; F335-L343 HydrophobicContact CD1-CD1 3.65Å; F335-L343 HydrophobicContact CD1-CG 4.2Å; F335-L343 HydrophobicContact CE1-CD1 3.94Å; F335-L343 PolarHBondContact O-N 3.37Å; V341-L343 PolarHBondContact O-N 3.35Å; L343-P364 HydrophobicContact CB-CB 3.85Å; L343-P364 HydrophobicContact CB-CG 4Å; L343-P364 HydrophobicContact CD1-CB 3.61Å; L343-P364 HydrophobicContact CG-CB 4.4Å; L343-N377 HydrophobicContact CD1-CB 3.63Å; L343-N377 HydrophobicContact CD2-CB 3.92Å; L343-N377 HydrophobicContact CG-CB 4.42Å; L343-Y379 WeakPolarHBondContact CB-OH 3.48Å
344	P	86.9	Confident	86.5	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-66.5	145.2	176.4	23.5	-35.5	0	0	0	112.7	P118 N263 Y346 Y379	P118-P344 WeakPolarHBondContact O-CB 3.46Å; N263-P344 WeakPolarHBondContact ND2-CB 3.3Å; P344-Y346 HydrophobicContact CB-CD2 4.01Å; P344-Y346 HydrophobicContact CB-CE2 3.6Å; P344-Y346 HydrophobicContact CG-CD2 4.36Å; P344-Y346 HydrophobicContact CG-CE2 3.76Å; P344-Y379 WeakPolarHBondContact CD-OH 3.32Å; P344-Y379 WeakPolarHBondContact CG-OH 3.41Å; P344-Y379 VanDerWaalsContact O-CE1 3.29Å; P344-Y379 WeakPolarHBondContact O-CE1 3.1Å
345	Y	88.9	Confident	86.2	Confident	16 Å²	16	30.3 Å²	30.3	6%	0.063	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-96.8	140	163.2	-72.2	-109.9	0	0	0	108.6	N263 S264 H265 E326 P333 F335 K363 P364	N263-Y345 CarbonylContact C-O 3.53Å; N263-Y345 WeakPolarHBondContact CA-O 3.28Å; N263-Y345 PolarHBondContact OD1-O 2.8Å; S264-Y345 PolarHBondContact N-O 2.91Å; H265-Y345 AromaticContact NE2-CD2 3.49Å; H265-Y345 WeakPolarHBondContact NE2-CD2 3.5Å; E326-Y345 VanDerWaalsContact CD-OH 3.24Å; E326-Y345 WeakPolarHBondContact CG-OH 3.49Å; E326-Y345 PolarHBondContact OE1-OH 3.43Å; P333-Y345 HydrophobicContact CB-CD1 4.31Å; P333-Y345 HydrophobicContact CB-CD2 4.26Å; P333-Y345 HydrophobicContact CB-CE1 3.85Å; P333-Y345 HydrophobicContact CB-CE2 3.84Å; P333-Y345 HydrophobicContact CB-CG 4.49Å; P333-Y345 HydrophobicContact CG-CD1 3.78Å; P333-Y345 HydrophobicContact CG-CD2 3.84Å; P333-Y345 HydrophobicContact CG-CE1 3.85Å; P333-Y345 HydrophobicContact CG-CE2 3.96Å; P333-Y345 HydrophobicContact CG-CG 3.77Å; F335-Y345 HydrophobicContact CB-CE2 4.12Å; Y345-K363 HydrophobicContact CD1-CB 3.73Å; Y345-K363 HydrophobicContact CE1-CB 3.74Å; Y345-P364 HydrophobicContact CD2-CG 4.34Å; Y345-P364 HydrophobicContact CE1-CG 4.19Å; Y345-P364 HydrophobicContact CE2-CG 3.72Å
346	Y	91.3	Very high	86.1	Confident	11 Å²	11	31.9 Å²	31.9	4%	0.043	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.1	176.4	-81.2	-98.4	0	0	0	111.1	T124 V127 L261 K262 N263 P344 V362	T124-Y346 WeakPolarHBondContact CG2-OH 3.33Å; T124-Y346 PolarHBondContact OG1-OH 3.39Å; V127-Y346 HydrophobicContact CB-CD2 4.14Å; V127-Y346 HydrophobicContact CB-CE2 4.35Å; V127-Y346 HydrophobicContact CG1-CD1 4.41Å; V127-Y346 HydrophobicContact CG1-CD2 3.76Å; V127-Y346 HydrophobicContact CG1-CE2 4.26Å; V127-Y346 HydrophobicContact CG1-CG 3.83Å; V127-Y346 HydrophobicContact CG2-CD2 3.59Å; V127-Y346 HydrophobicContact CG2-CE2 3.95Å; V127-Y346 HydrophobicContact CG2-CG 4.43Å; L261-Y346 HydrophobicContact CD1-CD1 4.14Å; L261-Y346 HydrophobicContact CD1-CG 4.43Å; L261-Y346 HydrophobicContact CD2-CD1 4.43Å; L261-Y346 HydrophobicContact CG-CD1 3.77Å; L261-Y346 HydrophobicContact CG-CE1 4.43Å; L261-Y346 HydrophobicContact CG-CG 4.45Å; K262-Y346 VanDerWaalsContact O-CA 3.29Å; K262-Y346 WeakPolarHBondContact O-CA 3.46Å; K262-Y346 VanDerWaalsContact O-CD1 3.27Å; K262-Y346 WeakPolarHBondContact O-CD1 3.26Å; N263-Y346 HydrophobicContact CB-CD1 4.39Å; N263-Y346 HydrophobicContact CB-CE1 3.99Å; P344-Y346 HydrophobicContact CB-CD2 4.01Å; P344-Y346 HydrophobicContact CB-CE2 3.6Å; P344-Y346 HydrophobicContact CG-CD2 4.36Å; P344-Y346 HydrophobicContact CG-CE2 3.76Å; Y346-V362 PolarHBondContact N-O 3.47Å; Y346-V362 PolarHBondContact O-N 3.36Å
347	E	91.4	Very high	86.2	Confident	30 Å²	30	34.1 Å²	34.1	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.3	173	56.5	-175.2	-166.7	0	0	109.1	I228 K262 H349	I228-E347 WeakPolarHBondContact CD1-OE1 3.3Å; K262-E347 HydrophobicContact CB-CG 4.43Å; K262-E347 PolarHBondContact N-O 3.15Å; K262-E347 PolarHBondContact O-N 2.82Å; E347-H349 IonicContact OE1-CE1 2.73Å; E347-H349 IonicContact OE2-CE1 2.98Å
348	M	92.6	Very high	86.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	177.3	-163.2	163.4	73.4	0	0	109.7	M131 A259 L260 L261 V359 A360 F381 L388	M131-M348 HydrophobicContact SD-SD 4.26Å; A259-M348 HydrophobicContact CB-CE 4.36Å; A259-M348 HydrophobicContact CB-CG 3.86Å; A259-M348 HydrophobicContact CB-SD 3.69Å; L260-M348 CarbonylContact O-C 3.55Å; L260-M348 VanDerWaalsContact O-CA 3.29Å; L260-M348 WeakPolarHBondContact O-CA 3.38Å; L261-M348 HydrophobicContact CD1-CB 4.19Å; M348-V359 HydrophobicContact CB-CG2 3.99Å; M348-V359 HydrophobicContact CE-CG2 3.85Å; M348-V359 HydrophobicContact CG-CG2 3.91Å; M348-V359 VanDerWaalsContact O-CG2 3.26Å; M348-V359 WeakPolarHBondContact O-CG2 3.41Å; M348-V359 PolarHBondContact O-N 3.38Å; M348-A360 HydrophobicContact CB-CB 4.06Å; M348-A360 HydrophobicContact CE-CB 4.11Å; M348-A360 PolarHBondContact N-O 3.21Å; M348-A360 PolarHBondContact O-N 3.27Å; M348-F381 HydrophobicContact CE-CE2 4.21Å; M348-F381 HydrophobicContact CE-CZ 3.68Å; M348-F381 HydrophobicContact SD-CE2 4.48Å; M348-L388 HydrophobicContact CE-CD1 3.33Å; M348-L388 HydrophobicContact CE-CD2 3.98Å; M348-L388 HydrophobicContact CE-CG 3.81Å
349	H	91.3	Very high	87	Confident	19 Å²	19	34.8 Å²	34.8	9%	0.088	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.3	-179.6	-72.1	83.8	0	0	0	110.5	I228 Y232 A259 L260 E347 V357 H358	I228-H349 HydrophobicContact CG2-CB 4.25Å; Y232-H349 HydrophobicContact CE2-CB 4.36Å; Y232-H349 PolarHBondContact OH-O 3.03Å; A259-H349 WeakPolarHBondContact CA-O 3.23Å; L260-H349 PolarHBondContact N-O 3.41Å; L260-H349 PolarHBondContact O-N 3.22Å; E347-H349 IonicContact OE1-CE1 2.73Å; E347-H349 IonicContact OE2-CE1 2.98Å; H349-V357 CarbonylContact C-O 3.59Å; H349-V357 VanDerWaalsContact CA-O 3.24Å; H349-V357 WeakPolarHBondContact CA-O 3.06Å; H349-H358 PolarHBondContact CD2-N 2.99Å; H349-H358 AromaticContact CE1-CD2 3.83Å; H349-H358 AromaticContact NE2-CD2 3.81Å
350	M	90.3	Very high	87.6	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.8	172	-70.2	179.1	73.7	0	0	110.5	Y232 A259 V357 V359 L387 L391	Y232-M350 WeakPolarHBondContact OH-CA 3.37Å; A259-M350 HydrophobicContact CB-CG 4.05Å; M350-V357 PolarHBondContact N-O 2.88Å; M350-V357 PolarHBondContact O-N 3.22Å; M350-V359 HydrophobicContact CB-CG1 3.94Å; M350-V359 HydrophobicContact CG-CG1 4.03Å; M350-V359 HydrophobicContact CG-CG2 3.84Å; M350-V359 HydrophobicContact SD-CG1 4.1Å; M350-V359 HydrophobicContact SD-CG2 4.11Å; M350-L387 HydrophobicContact SD-CB 4.48Å; M350-L391 HydrophobicContact CE-CD2 4.14Å; M350-L391 HydrophobicContact CE-CG 4.15Å; M350-L391 HydrophobicContact SD-CG 4.48Å
351	W	85.8	Confident	87.9	Confident	28 Å²	28	35.5 Å²	35.5	11%	0.106	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.6	179.9	-166	-119.8	0	0	0	112.3	Y232 G354 K355 A356	Y232-W351 HydrophobicContact CD1-CB 3.6Å; Y232-W351 HydrophobicContact CD1-CD2 4.01Å; Y232-W351 AromaticContact CD1-CE3 3.9Å; Y232-W351 HydrophobicContact CD1-CE3 3.9Å; Y232-W351 AromaticContact CD1-CG 3.94Å; Y232-W351 HydrophobicContact CD1-CG 3.94Å; Y232-W351 HydrophobicContact CD2-CD2 4.49Å; Y232-W351 AromaticContact CD2-CE3 3.58Å; Y232-W351 HydrophobicContact CD2-CE3 3.58Å; Y232-W351 HydrophobicContact CD2-CZ3 4.02Å; Y232-W351 HydrophobicContact CE1-CB 3.65Å; Y232-W351 HydrophobicContact CE1-CG 4.48Å; Y232-W351 HydrophobicContact CE2-CE3 4.42Å; Y232-W351 HydrophobicContact CG-CB 4.2Å; Y232-W351 AromaticContact CG-CD2 3.81Å; Y232-W351 HydrophobicContact CG-CD2 3.81Å; Y232-W351 AromaticContact CG-CE3 3.26Å; Y232-W351 HydrophobicContact CG-CE3 3.26Å; Y232-W351 HydrophobicContact CG-CG 4.24Å; Y232-W351 AromaticContact CG-CZ3 3.79Å; Y232-W351 HydrophobicContact CG-CZ3 3.79Å; W351-G354 WeakPolarHBondContact CH2-O 3.29Å; W351-G354 VanDerWaalsContact CZ2-CA 3.48Å; W351-G354 WeakPolarHBondContact CZ2-O 3.44Å; W351-K355 VanDerWaalsContact CE3-O 3.26Å; W351-A356 HydrophobicContact CE3-CB 4.17Å; W351-A356 VanDerWaalsContact CE3-N 3.3Å; W351-A356 HydrophobicContact CZ3-CB 4.2Å
352	R	83.2	Confident	88.1	Confident	87 Å²	87	35.1 Å²	35.1	33%	0.328	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.7	174.6	-154.6	69.8	178.6	-154.4	-6.9	111.6	G354 K355 V357 L387 D390	R352-G354 PolarHBondContact O-N 2.9Å; R352-G354 VanDerWaalsContact O-N 3.11Å; R352-K355 PolarHBondContact N-O 2.75Å; R352-K355 PolarHBondContact O-N 3.27Å; R352-V357 HydrophobicContact CB-CG2 3.78Å; R352-L387 HydrophobicContact CG-CD2 4.32Å; R352-D390 IonicContact CZ-OD2 4Å; R352-D390 IonicContact NH1-OD2 2.62Å; R352-D390 PolarHBondContact NH1-OD2 2.95Å
353	D	78.6	Confident	88.2	Confident	127 Å²	127	38.5 Å²	38.5	68%	0.679	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	41.9	172.2	-55.5	-36.3	0	0	0	114.5
354	G	77.9	Confident	88.2	Confident	44 Å²	44	38.5 Å²	38.5	45%	0.454	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	11.3	176.9	0	0	0	0	0	114.9	W351 R352	W351-G354 WeakPolarHBondContact CH2-O 3.29Å; W351-G354 VanDerWaalsContact CZ2-CA 3.48Å; W351-G354 WeakPolarHBondContact CZ2-O 3.44Å; R352-G354 PolarHBondContact O-N 2.9Å; R352-G354 VanDerWaalsContact O-N 3.11Å
355	K	83	Confident	87.7	Confident	153 Å²	153	43.4 Å²	43.4	67%	0.665	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.7	177.6	-63.7	-176.1	-179.7	-178.7	0	111.5	W351 R352	W351-K355 VanDerWaalsContact CE3-O 3.26Å; R352-K355 PolarHBondContact N-O 2.75Å; R352-K355 PolarHBondContact O-N 3.27Å
356	A	86.5	Confident	86.6	Confident	37 Å²	37	47 Å²	47	31%	0.306	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.1	169.5	0	0	0	0	0	108.9	I228 Y232 W351	I228-A356 HydrophobicContact CG2-CB 3.44Å; I228-A356 VanDerWaalsContact CG2-CB 3.44Å; Y232-A356 HydrophobicContact CD2-CB 3.78Å; Y232-A356 HydrophobicContact CE2-CB 3.93Å; W351-A356 HydrophobicContact CE3-CB 4.17Å; W351-A356 VanDerWaalsContact CE3-N 3.3Å; W351-A356 HydrophobicContact CZ3-CB 4.2Å
357	V	89.4	Confident	85.3	Confident	48 Å²	48	47.7 Å²	47.7	29%	0.291	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.2	-180	-178.1	0	0	0	0	108.3	H349 M350 R352 L387	H349-V357 CarbonylContact C-O 3.59Å; H349-V357 VanDerWaalsContact CA-O 3.24Å; H349-V357 WeakPolarHBondContact CA-O 3.06Å; M350-V357 PolarHBondContact N-O 2.88Å; M350-V357 PolarHBondContact O-N 3.22Å; R352-V357 HydrophobicContact CB-CG2 3.78Å; V357-L387 HydrophobicContact CB-CD1 4.24Å; V357-L387 HydrophobicContact CG1-CD1 3.74Å
358	H	90.7	Very high	83.8	Confident	65 Å²	65	53 Å²	53	30%	0.301	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.3	172	-179.5	-85.6	0	0	0	110.2	H349 A360 N361 S384	H349-H358 PolarHBondContact CD2-N 2.99Å; H349-H358 AromaticContact CE1-CD2 3.83Å; H349-H358 AromaticContact NE2-CD2 3.81Å; H358-A360 PolarHBondContact CE1-O 3.42Å; H358-A360 PolarHBondContact NE2-O 3.15Å; H358-N361 PolarHBondContact CE1-OD1 2.92Å; H358-N361 PolarHBondContact NE2-OD1 3.02Å; H358-S384 PolarHBondContact CE1-OG 3.2Å; H358-S384 PolarHBondContact ND1-OG 3.09Å; H358-S384 VanDerWaalsContact ND1-OG 3.09Å
359	V	92.3	Very high	82.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	-21.9	-174.8	-61.6	0	0	0	0	115.2	M348 M350 S384 S385 L387 L388	M348-V359 HydrophobicContact CB-CG2 3.99Å; M348-V359 HydrophobicContact CE-CG2 3.85Å; M348-V359 HydrophobicContact CG-CG2 3.91Å; M348-V359 VanDerWaalsContact O-CG2 3.26Å; M348-V359 WeakPolarHBondContact O-CG2 3.41Å; M348-V359 PolarHBondContact O-N 3.38Å; M350-V359 HydrophobicContact CB-CG1 3.94Å; M350-V359 HydrophobicContact CG-CG1 4.03Å; M350-V359 HydrophobicContact CG-CG2 3.84Å; M350-V359 HydrophobicContact SD-CG1 4.1Å; M350-V359 HydrophobicContact SD-CG2 4.11Å; V359-S384 PolarHBondContact O-N 2.84Å; V359-S384 PolarHBondContact O-OG 3.09Å; V359-S385 PolarHBondContact O-N 3.14Å; V359-L387 HydrophobicContact CG1-CB 3.86Å; V359-L387 HydrophobicContact CG1-CD1 4.15Å; V359-L388 HydrophobicContact CB-CD1 3.51Å; V359-L388 HydrophobicContact CG2-CD1 3.47Å; V359-L388 VanDerWaalsContact CG2-CD1 3.47Å
360	A	93.1	Very high	80.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.8	174	0	0	0	0	0	112	M348 H358 F381 L382 S384 L388	M348-A360 HydrophobicContact CB-CB 4.06Å; M348-A360 HydrophobicContact CE-CB 4.11Å; M348-A360 PolarHBondContact N-O 3.21Å; M348-A360 PolarHBondContact O-N 3.27Å; H358-A360 PolarHBondContact CE1-O 3.42Å; H358-A360 PolarHBondContact NE2-O 3.15Å; A360-F381 HydrophobicContact CB-CE1 3.92Å; A360-F381 HydrophobicContact CB-CE2 3.91Å; A360-F381 HydrophobicContact CB-CZ 3.4Å; A360-F381 VanDerWaalsContact CB-CZ 3.4Å; A360-L382 VanDerWaalsContact CA-O 3.31Å; A360-L382 WeakPolarHBondContact CA-O 3.24Å; A360-S384 PolarHBondContact N-OG 3.01Å; A360-L388 HydrophobicContact CB-CD1 4.31Å
361	N	91.7	Very high	78.6	Confident	64 Å²	64	65.3 Å²	65.3	34%	0.342	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.7	165.4	-72.3	-41.4	0	0	0	109.7	H358 L382	H358-N361 PolarHBondContact CE1-OD1 2.92Å; H358-N361 PolarHBondContact NE2-OD1 3.02Å; N361-L382 HydrophobicContact CB-CB 4.5Å; N361-L382 PolarHBondContact N-O 3.15Å; N361-L382 PolarHBondContact O-N 3.31Å
362	V	91.4	Very high	77	Confident	1 Å²	1	67 Å²	67	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112	167.4	-157.9	0	0	0	0	107.6	V127 A130 L261 Y346 Y379 E380 F381	V127-V362 HydrophobicContact CB-CG1 4.35Å; V127-V362 HydrophobicContact CG1-CB 4.05Å; V127-V362 HydrophobicContact CG1-CG1 3.95Å; V127-V362 HydrophobicContact CG1-CG2 4.22Å; V127-V362 HydrophobicContact CG2-CG1 4.2Å; A130-V362 HydrophobicContact CB-CG1 4.49Å; L261-V362 HydrophobicContact CD1-CG2 4.18Å; Y346-V362 PolarHBondContact N-O 3.47Å; Y346-V362 PolarHBondContact O-N 3.36Å; V362-Y379 HydrophobicContact CG1-CD1 4.26Å; V362-E380 WeakPolarHBondContact CA-O 3.29Å; V362-F381 HydrophobicContact CB-CD2 4.46Å; V362-F381 HydrophobicContact CG1-CD2 4.4Å; V362-F381 HydrophobicContact CG2-CD2 3.43Å; V362-F381 VanDerWaalsContact CG2-CD2 3.43Å; V362-F381 HydrophobicContact CG2-CE2 3.79Å; V362-F381 HydrophobicContact CG2-CG 4.48Å
363	K	88.7	Confident	75.3	Confident	70 Å²	70	71.4 Å²	71.4	30%	0.304	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.5	-173.8	67.2	177.9	-164.7	-176.1	0	110.9	Y345 Y379 E380 L382	Y345-K363 HydrophobicContact CD1-CB 3.73Å; Y345-K363 HydrophobicContact CE1-CB 3.74Å; K363-Y379 WeakPolarHBondContact O-CA 3.4Å; K363-E380 WeakPolarHBondContact CE-OE2 3.46Å; K363-E380 PolarHBondContact N-O 3.49Å; K363-E380 VanDerWaalsContact N-O 3.09Å; K363-E380 PolarHBondContact O-N 3.23Å; K363-L382 HydrophobicContact CD-CD1 3.79Å; K363-L382 VanDerWaalsContact CE-CD1 3.43Å; K363-L382 HydrophobicContact CG-CD1 4.2Å
364	P	87.1	Confident	73.8	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.019	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	151.9	170.8	26.2	-32.8	0	0	0	111.2	F335 L343 Y345 C378 Y379	F335-P364 HydrophobicContact CB-CB 4.2Å; F335-P364 HydrophobicContact CB-CG 3.52Å; F335-P364 HydrophobicContact CD1-CB 3.92Å; F335-P364 HydrophobicContact CD1-CG 4.21Å; F335-P364 HydrophobicContact CD2-CG 4.38Å; F335-P364 HydrophobicContact CE1-CB 4.45Å; F335-P364 HydrophobicContact CG-CB 3.95Å; F335-P364 HydrophobicContact CG-CG 3.79Å; L343-P364 HydrophobicContact CB-CB 3.85Å; L343-P364 HydrophobicContact CB-CG 4Å; L343-P364 HydrophobicContact CD1-CB 3.61Å; L343-P364 HydrophobicContact CG-CB 4.4Å; Y345-P364 HydrophobicContact CD2-CG 4.34Å; Y345-P364 HydrophobicContact CE1-CG 4.19Å; Y345-P364 HydrophobicContact CE2-CG 3.72Å; P364-C378 CarbonylContact C-O 3.34Å; P364-C378 VanDerWaalsContact CA-O 3.29Å; P364-C378 WeakPolarHBondContact CA-O 3.24Å; P364-Y379 HydrophobicContact CB-CE1 4.21Å
365	R	76.7	Confident	72.5	Confident	104 Å²	104	75.6 Å²	75.6	39%	0.392	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.6	178.5	-169.1	176.8	-173.7	147.2	9.2	110.8	C378 E380	R365-C378 PolarHBondContact N-O 3.31Å; R365-E380 IonicContact CZ-OE1 3.84Å; R365-E380 VanDerWaalsContact NH1-CD 3.35Å; R365-E380 IonicContact NH1-OE1 3.28Å; R365-E380 PolarHBondContact NH1-OE1 3.19Å; R365-E380 IonicContact NH1-OE2 2.85Å
366	E	66.5	Low	71.4	Confident	90 Å²	90	72.4 Å²	72.4	42%	0.421	40%	0.404	S	S	.	.			trans	-58.3	134.3	175.3	-73.4	179.7	175.7	0	0	112.6	F335 D368 Y369	F335-E366 HydrophobicContact CE2-CG 4.25Å; E366-D368 VanDerWaalsContact C-N 3.31Å; E366-D368 PolarHBondContact O-N 3.33Å; E366-Y369 HydrophobicContact CB-CD2 4.21Å; E366-Y369 PolarHBondContact O-N 3.12Å
367	S	63.3	Low	70.6	Confident	26 Å²	26	72.1 Å²	72.1	18%	0.182	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-48.8	-41.1	-173.9	164.7	0	0	0	0	114.8	N324 Y369 C370	N324-S367 PolarHBondContact OD1-N 2.96Å; S367-Y369 PolarHBondContact O-N 3.38Å; S367-Y369 VanDerWaalsContact O-N 3.09Å; S367-C370 VanDerWaalsContact O-CB 3.27Å; S367-C370 WeakPolarHBondContact O-CB 3.38Å; S367-C370 PolarHBondContact O-N 3.37Å
368	D	60.5	Low	69.9	Low	143 Å²	143	71.1 Å²	71.1	77%	0.765	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.3	-171.8	-69.2	-12.4	0	0	0	113.6	E366	E366-D368 VanDerWaalsContact C-N 3.31Å; E366-D368 PolarHBondContact O-N 3.33Å
369	Y	56.2	Low	69.7	Low	162 Å²	162	69.1 Å²	69.1	64%	0.635	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-92.9	-2.5	178.1	-59.7	-78.8	0	0	0	113.1	E366 S367	E366-Y369 HydrophobicContact CB-CD2 4.21Å; E366-Y369 PolarHBondContact O-N 3.12Å; S367-Y369 PolarHBondContact O-N 3.38Å; S367-Y369 VanDerWaalsContact O-N 3.09Å
370	C	58.8	Low	69.4	Low	29 Å²	29	71.5 Å²	71.5	20%	0.196	39%	0.394	C	S	.	.	S	Bend	trans	-92.8	94.1	176.7	-56.8	0	0	0	0	110.8	S367 G372 C378	S367-C370 VanDerWaalsContact O-CB 3.27Å; S367-C370 WeakPolarHBondContact O-CB 3.38Å; S367-C370 PolarHBondContact O-N 3.37Å; C370-G372 PolarHBondContact O-N 3.03Å; C370-C378 HydrophobicContact CB-CB 4.03Å; C370-C378 WeakPolarHBondContact CB-SG 3.36Å; C370-C378 WeakPolarHBondContact SG-CB 3.47Å; C370-C378 CovalentContact SG-SG 2Å; C370-C378 PolarHBondContact SG-SG 2.94Å
371	G	48.8	Very low	69.2	Low	91 Å²	91	72.2 Å²	72.2	94%	0.938	40%	0.397	S	S	*	.			trans	-54.6	116.5	176.6	0	0	0	0	0	112.2
372	G	51.8	Low	69.1	Low	62 Å²	62	72 Å²	72	64%	0.639	40%	0.395	S	S	*	.	S	Bend	trans	162.6	140.7	175.6	0	0	0	0	0	112.4	C370 M374	C370-G372 PolarHBondContact O-N 3.03Å; G372-M374 PolarHBondContact O-N 2.82Å
373	N	47.7	Very low	69	Low	181 Å²	181	75.8 Å²	75.8	97%	0.968	42%	0.42	S	S	*	.	S	Bend	trans	-75.5	11.6	-175.7	-127.8	9	0	0	0	114.1
374	M	47.9	Very low	68.9	Low	142 Å²	142	75.9 Å²	75.9	70%	0.7	43%	0.429	S	S	*	.	S	Bend	trans	-130.6	127.4	178.9	-73.6	178.1	71.9	0	0	108.7	G372 K376	G372-M374 PolarHBondContact O-N 2.82Å; M374-K376 PolarHBondContact O-N 3.37Å
375	T	51.1	Low	68.8	Low	116 Å²	116	76.8 Å²	76.8	71%	0.712	44%	0.436	S	S	*	.			trans	-62.8	67.3	176.7	52.3	0	0	0	0	111.9
376	K	60.1	Low	69.1	Low	86 Å²	86	76.4 Å²	76.4	37%	0.374	45%	0.447	S	S	.	.			trans	-99.5	142.5	175.8	-74.1	-169.6	174.7	-169.9	0	110.1	M374 C378	M374-K376 PolarHBondContact O-N 3.37Å; K376-C378 PolarHBondContact O-SG 3.17Å
377	N	68.2	Low	69.8	Low	31 Å²	31	73.5 Å²	73.5	17%	0.166	43%	0.434	C	S	.	.			trans	-63.6	133.1	172.7	-68.2	-33.4	0	0	0	109.4	G337 N338 D339 L343	G337-N377 WeakPolarHBondContact CA-OD1 3.25Å; N338-N377 PolarHBondContact N-OD1 3.24Å; D339-N377 PolarHBondContact OD1-ND2 2.94Å; D339-N377 PolarHBondContact OD2-ND2 2.64Å; L343-N377 HydrophobicContact CD1-CB 3.63Å; L343-N377 HydrophobicContact CD2-CB 3.92Å; L343-N377 HydrophobicContact CG-CB 4.42Å
378	C	75	Confident	70.6	Confident	27 Å²	27	72.8 Å²	72.8	18%	0.182	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156.6	-175.2	-39.5	0	0	0	0	112.5	P364 R365 C370 K376	P364-C378 CarbonylContact C-O 3.34Å; P364-C378 VanDerWaalsContact CA-O 3.29Å; P364-C378 WeakPolarHBondContact CA-O 3.24Å; R365-C378 PolarHBondContact N-O 3.31Å; C370-C378 HydrophobicContact CB-CB 4.03Å; C370-C378 WeakPolarHBondContact CB-SG 3.36Å; C370-C378 WeakPolarHBondContact SG-CB 3.47Å; C370-C378 CovalentContact SG-SG 2Å; C370-C378 PolarHBondContact SG-SG 2.94Å; K376-C378 PolarHBondContact O-SG 3.17Å
379	Y	87.1	Confident	71.4	Confident	23 Å²	23	73.9 Å²	73.9	9%	0.09	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.3	178.8	-73.8	-90	0	0	0	111.6	E126 V127 A130 L343 P344 V362 K363 P364	E126-Y379 HydrophobicContact CB-CD2 3.49Å; E126-Y379 VanDerWaalsContact CB-CD2 3.49Å; E126-Y379 HydrophobicContact CB-CE2 3.62Å; V127-Y379 HydrophobicContact CG2-CD1 3.41Å; V127-Y379 VanDerWaalsContact CG2-CD1 3.41Å; V127-Y379 HydrophobicContact CG2-CD2 4.29Å; V127-Y379 HydrophobicContact CG2-CE1 3.38Å; V127-Y379 HydrophobicContact CG2-CE2 4.26Å; V127-Y379 HydrophobicContact CG2-CG 3.86Å; A130-Y379 WeakPolarHBondContact CB-O 3.21Å; L343-Y379 WeakPolarHBondContact CB-OH 3.48Å; P344-Y379 WeakPolarHBondContact CD-OH 3.32Å; P344-Y379 WeakPolarHBondContact CG-OH 3.41Å; P344-Y379 VanDerWaalsContact O-CE1 3.29Å; P344-Y379 WeakPolarHBondContact O-CE1 3.1Å; V362-Y379 HydrophobicContact CG1-CD1 4.26Å; K363-Y379 WeakPolarHBondContact O-CA 3.4Å; P364-Y379 HydrophobicContact CB-CE1 4.21Å
380	E	86	Confident	72.3	Confident	51 Å²	51	69 Å²	69	24%	0.238	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.9	170.9	-172.3	178.3	-140.3	0	0	108.8	V362 K363 R365 L382	V362-E380 WeakPolarHBondContact CA-O 3.29Å; K363-E380 WeakPolarHBondContact CE-OE2 3.46Å; K363-E380 PolarHBondContact N-O 3.49Å; K363-E380 VanDerWaalsContact N-O 3.09Å; K363-E380 PolarHBondContact O-N 3.23Å; R365-E380 IonicContact CZ-OE1 3.84Å; R365-E380 VanDerWaalsContact NH1-CD 3.35Å; R365-E380 IonicContact NH1-OE1 3.28Å; R365-E380 PolarHBondContact NH1-OE1 3.19Å; R365-E380 IonicContact NH1-OE2 2.85Å; E380-L382 HydrophobicContact CG-CD2 3.81Å; E380-L382 HydrophobicContact CG-CG 3.96Å
381	F	89.6	Confident	73.1	Confident	15 Å²	15	68 Å²	68	7%	0.066	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.3	171.6	-174.5	-86.4	0	0	0	109.4	M131 S134 M348 A360 V362 P383 L388	M131-F381 HydrophobicContact CB-CD2 3.66Å; M131-F381 HydrophobicContact CB-CE2 3.92Å; M131-F381 HydrophobicContact CB-CG 4.48Å; M131-F381 HydrophobicContact CG-CD2 3.89Å; M131-F381 HydrophobicContact CG-CE2 3.62Å; M131-F381 HydrophobicContact CG-CZ 4.26Å; S134-F381 WeakPolarHBondContact OG-CD1 3.29Å; M348-F381 HydrophobicContact CE-CE2 4.21Å; M348-F381 HydrophobicContact CE-CZ 3.68Å; M348-F381 HydrophobicContact SD-CE2 4.48Å; A360-F381 HydrophobicContact CB-CE1 3.92Å; A360-F381 HydrophobicContact CB-CE2 3.91Å; A360-F381 HydrophobicContact CB-CZ 3.4Å; A360-F381 VanDerWaalsContact CB-CZ 3.4Å; V362-F381 HydrophobicContact CB-CD2 4.46Å; V362-F381 HydrophobicContact CG1-CD2 4.4Å; V362-F381 HydrophobicContact CG2-CD2 3.43Å; V362-F381 VanDerWaalsContact CG2-CD2 3.43Å; V362-F381 HydrophobicContact CG2-CE2 3.79Å; V362-F381 HydrophobicContact CG2-CG 4.48Å; F381-P383 HydrophobicContact CE1-CB 4.27Å; F381-P383 WeakPolarHBondContact O-CD 3.39Å; F381-L388 HydrophobicContact CE1-CD2 3.58Å; F381-L388 HydrophobicContact CZ-CD2 3.73Å
382	L	89.2	Confident	73.9	Confident	59 Å²	59	64.1 Å²	64.1	31%	0.309	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	95.5	-175.6	-68.5	175.6	0	0	0	110.5	A360 N361 K363 E380 S384	A360-L382 VanDerWaalsContact CA-O 3.31Å; A360-L382 WeakPolarHBondContact CA-O 3.24Å; N361-L382 HydrophobicContact CB-CB 4.5Å; N361-L382 PolarHBondContact N-O 3.15Å; N361-L382 PolarHBondContact O-N 3.31Å; K363-L382 HydrophobicContact CD-CD1 3.79Å; K363-L382 VanDerWaalsContact CE-CD1 3.43Å; K363-L382 HydrophobicContact CG-CD1 4.2Å; E380-L382 HydrophobicContact CG-CD2 3.81Å; E380-L382 HydrophobicContact CG-CG 3.96Å; L382-S384 PolarHBondContact O-N 3.11Å
383	P	88.3	Confident	74.6	Confident	80 Å²	80	64.9 Å²	64.9	52%	0.519	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130.5	173.6	27.4	-32.7	0	0	0	110.3	F381 L388	F381-P383 HydrophobicContact CE1-CB 4.27Å; F381-P383 WeakPolarHBondContact O-CD 3.39Å; P383-L388 HydrophobicContact CB-CD2 4.15Å
384	S	87.6	Confident	75.5	Confident	72 Å²	72	58.5 Å²	58.5	50%	0.503	32%	0.321	S	S	.	.			trans	-109.9	-13.7	179.6	61	0	0	0	0	113.3	H358 V359 A360 L382	H358-S384 PolarHBondContact CE1-OG 3.2Å; H358-S384 PolarHBondContact ND1-OG 3.09Å; H358-S384 VanDerWaalsContact ND1-OG 3.09Å; V359-S384 PolarHBondContact O-N 2.84Å; V359-S384 PolarHBondContact O-OG 3.09Å; A360-S384 PolarHBondContact N-OG 3.01Å; L382-S384 PolarHBondContact O-N 3.11Å
385	S	85.2	Confident	76.1	Confident	23 Å²	23	56.2 Å²	56.2	16%	0.161	32%	0.315	C	S	.	.			trans	-136.8	139.9	-174.3	-175.2	0	0	0	0	112.3	V359 L387 L388	V359-S385 PolarHBondContact O-N 3.14Å; S385-L387 PolarHBondContact O-N 3.06Å; S385-L387 VanDerWaalsContact O-N 3.15Å; S385-L387 WeakPolarHBondContact OG-CB 3.41Å; S385-L387 WeakPolarHBondContact OG-CD1 3.37Å; S385-L387 PolarHBondContact OG-N 3.33Å; S385-L388 PolarHBondContact O-N 2.74Å
386	P	81.6	Confident	76.4	Confident	95 Å²	95	52 Å²	52	62%	0.617	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.1	-11.3	172.5	30.1	-35.8	0	0	0	112.4	L388 E389	P386-L388 PolarHBondContact O-N 3.4Å; P386-E389 WeakPolarHBondContact O-CB 3.47Å; P386-E389 PolarHBondContact O-N 3.33Å
387	L	81.4	Confident	76.2	Confident	29 Å²	29	56.2 Å²	56.2	15%	0.152	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-55.1	-22.7	172.4	-77.9	159.8	0	0	0	112.9	M350 R352 V357 V359 S385 E389 D390	M350-L387 HydrophobicContact SD-CB 4.48Å; R352-L387 HydrophobicContact CG-CD2 4.32Å; V357-L387 HydrophobicContact CB-CD1 4.24Å; V357-L387 HydrophobicContact CG1-CD1 3.74Å; V359-L387 HydrophobicContact CG1-CB 3.86Å; V359-L387 HydrophobicContact CG1-CD1 4.15Å; S385-L387 PolarHBondContact O-N 3.06Å; S385-L387 VanDerWaalsContact O-N 3.15Å; S385-L387 WeakPolarHBondContact OG-CB 3.41Å; S385-L387 WeakPolarHBondContact OG-CD1 3.37Å; S385-L387 PolarHBondContact OG-N 3.33Å; L387-E389 PolarHBondContact O-N 3.16Å; L387-D390 WeakPolarHBondContact O-CB 3.27Å; L387-D390 PolarHBondContact O-N 3.23Å
388	L	81.1	Confident	75.8	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.063	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-62.9	-29.8	172.6	-115.2	81.2	0	0	0	113.5	M135 M348 V359 A360 F381 P383 S385 P386 D390 L391	M135-L388 HydrophobicContact CE-CD2 4.18Å; M135-L388 HydrophobicContact CE-CG 4.46Å; M135-L388 HydrophobicContact SD-CD2 3.46Å; M135-L388 WeakPolarHBondContact SD-CD2 3.32Å; M135-L388 HydrophobicContact SD-CG 4.34Å; M348-L388 HydrophobicContact CE-CD1 3.33Å; M348-L388 HydrophobicContact CE-CD2 3.98Å; M348-L388 HydrophobicContact CE-CG 3.81Å; V359-L388 HydrophobicContact CB-CD1 3.51Å; V359-L388 HydrophobicContact CG2-CD1 3.47Å; V359-L388 VanDerWaalsContact CG2-CD1 3.47Å; A360-L388 HydrophobicContact CB-CD1 4.31Å; F381-L388 HydrophobicContact CE1-CD2 3.58Å; F381-L388 HydrophobicContact CZ-CD2 3.73Å; P383-L388 HydrophobicContact CB-CD2 4.15Å; S385-L388 PolarHBondContact O-N 2.74Å; P386-L388 PolarHBondContact O-N 3.4Å; L388-D390 PolarHBondContact O-N 3.49Å; L388-L391 HydrophobicContact CG-CD1 4.47Å; L388-L391 WeakPolarHBondContact O-CB 3.29Å; L388-L391 PolarHBondContact O-N 3.32Å
389	E	76.9	Confident	74.9	Confident	166 Å²	166	55.8 Å²	55.8	78%	0.776	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-69.2	-16.5	178.9	-59.8	-178.7	176.3	0	0	111.7	P386 L387 L391	P386-E389 WeakPolarHBondContact O-CB 3.47Å; P386-E389 PolarHBondContact O-N 3.33Å; L387-E389 PolarHBondContact O-N 3.16Å; E389-L391 PolarHBondContact O-N 2.92Å
390	D	75.5	Confident	73.4	Confident	58 Å²	58	57.2 Å²	57.2	31%	0.31	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-69.5	-18	171.2	-71.9	-5.9	0	0	0	111.5	H257 R352 L387 L388 P392	H257-D390 PolarHBondContact CD2-O 3.1Å; R352-D390 IonicContact CZ-OD2 4Å; R352-D390 IonicContact NH1-OD2 2.62Å; R352-D390 PolarHBondContact NH1-OD2 2.95Å; L387-D390 WeakPolarHBondContact O-CB 3.27Å; L387-D390 PolarHBondContact O-N 3.23Å; L388-D390 PolarHBondContact O-N 3.49Å; D390-P392 WeakPolarHBondContact O-CD 3.49Å
391	L	74.1	Confident	72.1	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.047	34%	0.338	C	S	.	.	S	Bend	trans	-75.4	120.8	175.3	-69.1	170.3	0	0	0	110.3	M135 H257 A259 M350 L388 E389	M135-L391 HydrophobicContact CE-CB 4.17Å; M135-L391 HydrophobicContact CE-CD1 3.95Å; H257-L391 VanDerWaalsContact O-CD2 3.29Å; H257-L391 WeakPolarHBondContact O-CD2 3.41Å; A259-L391 HydrophobicContact CB-CD1 4.36Å; M350-L391 HydrophobicContact CE-CD2 4.14Å; M350-L391 HydrophobicContact CE-CG 4.15Å; M350-L391 HydrophobicContact SD-CG 4.48Å; L388-L391 HydrophobicContact CG-CD1 4.47Å; L388-L391 WeakPolarHBondContact O-CB 3.29Å; L388-L391 PolarHBondContact O-N 3.32Å; E389-L391 PolarHBondContact O-N 2.92Å
392	P	67.2	Low	70.6	Confident	10 Å²	10	63.7 Å²	63.7	7%	0.065	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-53.6	134.2	179.8	-25.2	30.8	0	0	0	113.4	L214 S217 D390 Y400	L214-P392 VanDerWaalsContact C-CG 3.5Å; L214-P392 HydrophobicContact CB-CG 4.28Å; L214-P392 WeakPolarHBondContact O-CB 3.12Å; L214-P392 WeakPolarHBondContact O-CG 3.26Å; S217-P392 WeakPolarHBondContact OG-CD 3.19Å; S217-P392 VanDerWaalsContact OG-N 3.15Å; S217-P392 PolarHBondContact OG-O 3.05Å; D390-P392 WeakPolarHBondContact O-CD 3.49Å; P392-Y400 WeakPolarHBondContact CB-OH 3.41Å
393	P	65.7	Low	69.2	Low	78 Å²	78	67.3 Å²	67.3	51%	0.506	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.3	146.7	178.3	27.7	-33.9	0	0	0	111.7	T395 Y400	P393-T395 PolarHBondContact O-N 3.14Å; P393-T395 VanDerWaalsContact O-N 3.07Å; P393-Y400 PolarHBondContact O-OH 3.43Å
394	Y	66.6	Low	67.6	Low	47 Å²	47	70 Å²	70	18%	0.184	39%	0.389	C	S	.	.	S	Bend	trans	-50	-40.2	-177.8	164.6	-109.5	0	0	0	114	K138 E139 Y400	K138-Y394 HydrophobicContact CB-CE1 4.45Å; E139-Y394 HydrophobicContact CB-CD2 4.4Å; E139-Y394 HydrophobicContact CB-CE1 4.34Å; E139-Y394 HydrophobicContact CB-CE2 3.56Å; E139-Y394 WeakPolarHBondContact CB-OH 3.45Å; E139-Y394 HydrophobicContact CG-CE1 4.39Å; E139-Y394 HydrophobicContact CG-CE2 4.37Å; E139-Y394 WeakPolarHBondContact CG-OH 3.38Å; E139-Y394 VanDerWaalsContact O-CD2 3.27Å; E139-Y394 WeakPolarHBondContact O-CD2 3.35Å; E139-Y394 WeakPolarHBondContact O-CE2 3.45Å; E139-Y394 PolarHBondContact OE1-OH 2.63Å; E139-Y394 PolarHBondContact OE2-OH 3.02Å; Y394-Y400 WeakPolarHBondContact O-CE2 3.46Å
395	T	60.1	Low	66.2	Low	93 Å²	93	69.9 Å²	69.9	57%	0.571	39%	0.387	S	S	*	.	S	Bend	trans	-117	125.3	169.9	50	0	0	0	0	109.5	P393	P393-T395 PolarHBondContact O-N 3.14Å; P393-T395 VanDerWaalsContact O-N 3.07Å
396	S	58.2	Low	64.7	Low	27 Å²	27	72 Å²	72	19%	0.189	40%	0.402	C	S	.	.			trans	-80.5	148.8	167	67	0	0	0	0	110.6	C398 G399 Y400	S396-C398 PolarHBondContact O-N 3.11Å; S396-G399 PolarHBondContact O-N 2.9Å; S396-G399 WeakPolarHBondContact OG-CA 3.49Å; S396-G399 PolarHBondContact OG-N 3.22Å; S396-G399 VanDerWaalsContact OG-N 3.07Å; S396-G399 PolarHBondContact OG-O 3.25Å; S396-Y400 PolarHBondContact OG-N 2.93Å
397	D	56.5	Low	63.6	Low	176 Å²	176	72.2 Å²	72.2	94%	0.941	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.5	179.2	-69.6	-26.3	0	0	0	113.1
398	C	59.9	Low	62.3	Low	40 Å²	40	77.1 Å²	77.1	27%	0.27	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.2	-178.6	58.2	0	0	0	0	114.8	S396 N402 L404 C405	S396-C398 PolarHBondContact O-N 3.11Å; C398-N402 CarbonylContact O-C 3.58Å; C398-N402 WeakPolarHBondContact O-CA 3.14Å; C398-L404 PolarHBondContact O-N 3.12Å; C398-L404 VanDerWaalsContact O-N 3.11Å; C398-C405 WeakPolarHBondContact CB-SG 3.23Å; C398-C405 PolarHBondContact O-N 3.19Å
399	G	55.3	Low	61.2	Low	8 Å²	8	82.5 Å²	82.5	8%	0.082	44%	0.443	C	S	.	.			trans	69.7	143.4	-162.9	0	0	0	0	0	112	S396 D401 N402	S396-G399 PolarHBondContact O-N 2.9Å; S396-G399 WeakPolarHBondContact OG-CA 3.49Å; S396-G399 PolarHBondContact OG-N 3.22Å; S396-G399 VanDerWaalsContact OG-N 3.07Å; S396-G399 PolarHBondContact OG-O 3.25Å; G399-D401 PolarHBondContact O-N 2.88Å; G399-N402 WeakPolarHBondContact O-CA 3.41Å; G399-N402 PolarHBondContact O-N 2.78Å
400	Y	55.3	Low	60.5	Low	53 Å²	53	78.7 Å²	78.7	21%	0.208	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.1	-176.9	-77.5	-77	0	0	0	113.4	R188 E215 P392 P393 Y394 S396 N402	R188-Y400 HydrophobicContact CB-CE2 4.4Å; R188-Y400 HydrophobicContact CG-CD2 4.14Å; R188-Y400 HydrophobicContact CG-CE2 4.29Å; E215-Y400 HydrophobicContact CB-CD1 4.39Å; E215-Y400 HydrophobicContact CG-CD1 4.16Å; P392-Y400 WeakPolarHBondContact CB-OH 3.41Å; P393-Y400 PolarHBondContact O-OH 3.43Å; Y394-Y400 WeakPolarHBondContact O-CE2 3.46Å; S396-Y400 PolarHBondContact OG-N 2.93Å; Y400-N402 VanDerWaalsContact C-N 3.31Å
401	D	58.6	Low	60	Low	104 Å²	104	82.6 Å²	82.6	56%	0.556	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	7.4	176.5	-46.4	-19.5	0	0	0	111.8	R188 G399 N403	R188-D401 IonicContact NH2-OD1 3.15Å; R188-D401 PolarHBondContact NH2-OD1 3.34Å; G399-D401 PolarHBondContact O-N 2.88Å; D401-N403 PolarHBondContact O-N 3.13Å
402	N	57.5	Low	59.3	Low	98 Å²	98	86.3 Å²	86.3	52%	0.524	46%	0.463	S	S	.	.	S	Bend	trans	61	10.3	-171.1	-73.4	-20.7	0	0	0	116.1	C398 G399 Y400 L404	C398-N402 CarbonylContact O-C 3.58Å; C398-N402 WeakPolarHBondContact O-CA 3.14Å; G399-N402 WeakPolarHBondContact O-CA 3.41Å; G399-N402 PolarHBondContact O-N 2.78Å; Y400-N402 VanDerWaalsContact C-N 3.31Å; N402-L404 VanDerWaalsContact C-N 3.34Å; N402-L404 PolarHBondContact O-N 2.82Å
403	N	60	Low	59.3	Low	136 Å²	136	90.7 Å²	90.7	73%	0.727	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.7	-176.4	-70.9	-22.5	0	0	0	114.7	D401	D401-N403 PolarHBondContact O-N 3.13Å
404	L	54.4	Low	59.5	Low	137 Å²	137	89.1 Å²	89.1	72%	0.717	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-3.3	-175.4	-72.4	164.1	0	0	0	113.7	C398 N402 S406	C398-L404 PolarHBondContact O-N 3.12Å; C398-L404 VanDerWaalsContact O-N 3.11Å; N402-L404 VanDerWaalsContact C-N 3.34Å; N402-L404 PolarHBondContact O-N 2.82Å; L404-S406 PolarHBondContact O-N 2.87Å
405	C	58.8	Low	59.8	Low	68 Å²	68	89 Å²	89	46%	0.459	49%	0.487	S	S	.	.			trans	-53.1	114.2	166.4	-90.9	0	0	0	0	109.3	C398 D407	C398-C405 WeakPolarHBondContact CB-SG 3.23Å; C398-C405 PolarHBondContact O-N 3.19Å; C405-D407 PolarHBondContact O-N 3.23Å
406	S	53.2	Low	60.6	Low	67 Å²	67	88.9 Å²	88.9	47%	0.469	48%	0.482	S	S	.	.			trans	-68.3	122.6	174.8	91.9	0	0	0	0	108.8	L404 F408 H409	L404-S406 PolarHBondContact O-N 2.87Å; S406-F408 PolarHBondContact O-N 2.93Å; S406-H409 PolarHBondContact O-N 3.01Å
407	D	59.2	Low	61.5	Low	101 Å²	101	90.7 Å²	90.7	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-60.3	-7.8	170.1	-73.7	-27.9	0	0	0	111.2	C405 H409 V410 F411	C405-D407 PolarHBondContact O-N 3.23Å; D407-H409 VanDerWaalsContact C-N 3.32Å; D407-H409 PolarHBondContact O-N 3.05Å; D407-V410 HydrophobicContact CB-CB 4.36Å; D407-V410 CarbonylContact O-C 3.57Å; D407-V410 VanDerWaalsContact O-C 3.27Å; D407-V410 VanDerWaalsContact O-CA 3.25Å; D407-V410 WeakPolarHBondContact O-CA 3.41Å; D407-V410 VanDerWaalsContact O-CB 3.27Å; D407-V410 WeakPolarHBondContact O-CB 3.41Å; D407-V410 PolarHBondContact O-N 3.4Å; D407-F411 HydrophobicContact CB-CD2 3.93Å; D407-F411 HydrophobicContact CB-CE2 3.63Å; D407-F411 HydrophobicContact CB-CZ 4.5Å; D407-F411 WeakPolarHBondContact O-CD2 3.46Å; D407-F411 WeakPolarHBondContact O-CG 3.29Å; D407-F411 PolarHBondContact O-N 3.24Å
408	F	55.3	Low	62.6	Low	132 Å²	132	88.4 Å²	88.4	58%	0.579	47%	0.474	S	S	*	.	H	α-helix	trans	-61.4	-37.6	176.2	-175.6	-102.1	0	0	0	112.6	S406 V410 F411 M412	S406-F408 PolarHBondContact O-N 2.93Å; F408-V410 VanDerWaalsContact C-N 3.32Å; F408-F411 CarbonylContact O-C 3.56Å; F408-F411 PolarHBondContact O-N 3.26Å; F408-M412 HydrophobicContact CD1-CG 4.25Å; F408-M412 HydrophobicContact CE1-CG 3.7Å; F408-M412 HydrophobicContact CE2-CG 4.27Å; F408-M412 HydrophobicContact CZ-CG 3.71Å; F408-M412 HydrophobicContact CZ-SD 4.43Å; F408-M412 WeakPolarHBondContact O-CB 3.45Å; F408-M412 PolarHBondContact O-N 2.84Å
409	H	57.4	Low	63.5	Low	125 Å²	125	89.1 Å²	89.1	58%	0.579	48%	0.48	S	S	*	.	H	α-helix	trans	-71.7	-31	169.4	-73.8	-64.8	0	0	0	111.4	S406 D407 F411 I413	S406-H409 PolarHBondContact O-N 3.01Å; D407-H409 VanDerWaalsContact C-N 3.32Å; D407-H409 PolarHBondContact O-N 3.05Å; H409-F411 VanDerWaalsContact C-N 3.28Å; H409-F411 PolarHBondContact O-N 3.4Å; H409-I413 WeakPolarHBondContact O-CA 3.35Å; H409-I413 WeakPolarHBondContact O-CB 3.46Å; H409-I413 WeakPolarHBondContact O-CD1 3.29Å; H409-I413 WeakPolarHBondContact O-CG1 3.33Å; H409-I413 PolarHBondContact O-N 3.14Å
410	V	60.8	Low	64.6	Low	86 Å²	86	93.9 Å²	93.9	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-65.3	-32.7	169	-176.6	0	0	0	0	110.9	D407 F408 A414	D407-V410 HydrophobicContact CB-CB 4.36Å; D407-V410 CarbonylContact O-C 3.57Å; D407-V410 VanDerWaalsContact O-C 3.27Å; D407-V410 VanDerWaalsContact O-CA 3.25Å; D407-V410 WeakPolarHBondContact O-CA 3.41Å; D407-V410 VanDerWaalsContact O-CB 3.27Å; D407-V410 WeakPolarHBondContact O-CB 3.41Å; D407-V410 PolarHBondContact O-N 3.4Å; F408-V410 VanDerWaalsContact C-N 3.32Å; V410-A414 VanDerWaalsContact O-CA 3.24Å; V410-A414 WeakPolarHBondContact O-CA 3.47Å; V410-A414 WeakPolarHBondContact O-CB 3.21Å; V410-A414 PolarHBondContact O-N 2.97Å
411	F	65.2	Low	65.9	Low	139 Å²	139	96.4 Å²	96.4	61%	0.61	52%	0.518	S	S	*	.	H	α-helix	trans	-82.1	-32.4	177.5	-73.2	-62.2	0	0	0	112.6	D407 F408 H409 A414 A415	D407-F411 HydrophobicContact CB-CD2 3.93Å; D407-F411 HydrophobicContact CB-CE2 3.63Å; D407-F411 HydrophobicContact CB-CZ 4.5Å; D407-F411 WeakPolarHBondContact O-CD2 3.46Å; D407-F411 WeakPolarHBondContact O-CG 3.29Å; D407-F411 PolarHBondContact O-N 3.24Å; F408-F411 CarbonylContact O-C 3.56Å; F408-F411 PolarHBondContact O-N 3.26Å; H409-F411 VanDerWaalsContact C-N 3.28Å; H409-F411 PolarHBondContact O-N 3.4Å; F411-A414 CarbonylContact O-C 3.53Å; F411-A415 WeakPolarHBondContact O-CA 3.32Å; F411-A415 WeakPolarHBondContact O-CB 3.4Å; F411-A415 PolarHBondContact O-N 2.79Å
412	M	61	Low	67.1	Low	87 Å²	87	94.9 Å²	94.9	43%	0.429	51%	0.51	S	S	.	.	H	α-helix	trans	-78.2	-42.1	173.9	-85.2	-68.2	-69.3	0	0	111.1	F408 A414 A415 I416	F408-M412 HydrophobicContact CD1-CG 4.25Å; F408-M412 HydrophobicContact CE1-CG 3.7Å; F408-M412 HydrophobicContact CE2-CG 4.27Å; F408-M412 HydrophobicContact CZ-CG 3.71Å; F408-M412 HydrophobicContact CZ-SD 4.43Å; F408-M412 WeakPolarHBondContact O-CB 3.45Å; F408-M412 PolarHBondContact O-N 2.84Å; M412-A414 VanDerWaalsContact C-N 3.32Å; M412-A415 PolarHBondContact O-N 3.41Å; M412-I416 HydrophobicContact CE-CD1 4.38Å; M412-I416 VanDerWaalsContact O-CB 3.25Å; M412-I416 WeakPolarHBondContact O-CB 3.42Å; M412-I416 WeakPolarHBondContact O-CG1 3.29Å; M412-I416 PolarHBondContact O-N 2.83Å
413	I	67.4	Low	68.3	Low	103 Å²	103	95.2 Å²	95.2	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-42.6	167.1	-64.3	167	0	0	0	107.9	H409 A415 I416 V417	H409-I413 WeakPolarHBondContact O-CA 3.35Å; H409-I413 WeakPolarHBondContact O-CB 3.46Å; H409-I413 WeakPolarHBondContact O-CD1 3.29Å; H409-I413 WeakPolarHBondContact O-CG1 3.33Å; H409-I413 PolarHBondContact O-N 3.14Å; I413-A415 VanDerWaalsContact C-N 3.31Å; I413-A415 PolarHBondContact O-N 3.33Å; I413-I416 PolarHBondContact O-N 3.04Å; I413-V417 HydrophobicContact CG2-CG2 3.68Å; I413-V417 WeakPolarHBondContact O-CA 3.42Å; I413-V417 WeakPolarHBondContact O-CB 3.39Å; I413-V417 WeakPolarHBondContact O-CG2 3.36Å; I413-V417 PolarHBondContact O-N 2.9Å
414	A	69.3	Low	69.3	Low	44 Å²	44	92 Å²	92	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-31.9	173.9	0	0	0	0	0	111.5	V410 F411 M412 F418	V410-A414 VanDerWaalsContact O-CA 3.24Å; V410-A414 WeakPolarHBondContact O-CA 3.47Å; V410-A414 WeakPolarHBondContact O-CB 3.21Å; V410-A414 PolarHBondContact O-N 2.97Å; F411-A414 CarbonylContact O-C 3.53Å; M412-A414 VanDerWaalsContact C-N 3.32Å; A414-F418 VanDerWaalsContact O-CA 3.23Å; A414-F418 WeakPolarHBondContact O-CA 3.49Å; A414-F418 WeakPolarHBondContact O-CB 3.48Å; A414-F418 PolarHBondContact O-N 3.42Å
415	A	73.1	Confident	70.7	Confident	45 Å²	45	91.8 Å²	91.8	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-77.4	-37.4	178.2	0	0	0	0	0	111.4	F411 M412 I413 F418 S419	F411-A415 WeakPolarHBondContact O-CA 3.32Å; F411-A415 WeakPolarHBondContact O-CB 3.4Å; F411-A415 PolarHBondContact O-N 2.79Å; M412-A415 PolarHBondContact O-N 3.41Å; I413-A415 VanDerWaalsContact C-N 3.31Å; I413-A415 PolarHBondContact O-N 3.33Å; A415-F418 CarbonylContact O-C 3.56Å; A415-S419 WeakPolarHBondContact O-CB 3.26Å; A415-S419 PolarHBondContact O-N 3.39Å; A415-S419 PolarHBondContact O-OG 3.31Å
416	I	76.7	Confident	71.9	Confident	91 Å²	91	91.3 Å²	91.3	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-69.9	-47	173.1	-69.5	168.1	0	0	0	109.3	M412 I413 F418 S419 I420	M412-I416 HydrophobicContact CE-CD1 4.38Å; M412-I416 VanDerWaalsContact O-CB 3.25Å; M412-I416 WeakPolarHBondContact O-CB 3.42Å; M412-I416 WeakPolarHBondContact O-CG1 3.29Å; M412-I416 PolarHBondContact O-N 2.83Å; I413-I416 PolarHBondContact O-N 3.04Å; I416-F418 VanDerWaalsContact C-N 3.34Å; I416-S419 CarbonylContact O-C 3.57Å; I416-S419 PolarHBondContact O-N 2.95Å; I416-I420 HydrophobicContact CG2-CD1 3.57Å; I416-I420 HydrophobicContact CG2-CG1 4.27Å; I416-I420 WeakPolarHBondContact O-CB 3.32Å; I416-I420 WeakPolarHBondContact O-CG1 3.5Å; I416-I420 PolarHBondContact O-N 2.96Å
417	V	77	Confident	73.3	Confident	65 Å²	65	92.5 Å²	92.5	39%	0.394	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-41	172.6	171.7	0	0	0	0	109.8	I413 S419 I420 L421	I413-V417 HydrophobicContact CG2-CG2 3.68Å; I413-V417 WeakPolarHBondContact O-CA 3.42Å; I413-V417 WeakPolarHBondContact O-CB 3.39Å; I413-V417 WeakPolarHBondContact O-CG2 3.36Å; I413-V417 PolarHBondContact O-N 2.9Å; V417-S419 VanDerWaalsContact C-N 3.32Å; V417-S419 PolarHBondContact O-N 3.05Å; V417-I420 CarbonylContact O-C 3.5Å; V417-I420 PolarHBondContact O-N 2.92Å; V417-L421 HydrophobicContact CG1-CD1 3.61Å; V417-L421 HydrophobicContact CG1-CG 4.11Å; V417-L421 WeakPolarHBondContact O-CA 3.45Å; V417-L421 WeakPolarHBondContact O-CB 3.42Å; V417-L421 WeakPolarHBondContact O-CG 3.47Å; V417-L421 PolarHBondContact O-N 2.81Å
418	F	79.5	Confident	74.3	Confident	127 Å²	127	90.1 Å²	90.1	56%	0.557	49%	0.489	S	S	*	.	H	α-helix	trans	-71	-28.5	176.6	-169.5	-108.1	0	0	0	111.1	A414 A415 I416 L422	A414-F418 VanDerWaalsContact O-CA 3.23Å; A414-F418 WeakPolarHBondContact O-CA 3.49Å; A414-F418 WeakPolarHBondContact O-CB 3.48Å; A414-F418 PolarHBondContact O-N 3.42Å; A415-F418 CarbonylContact O-C 3.56Å; I416-F418 VanDerWaalsContact C-N 3.34Å; F418-L422 HydrophobicContact CD1-CD1 3.34Å; F418-L422 HydrophobicContact CD1-CG 3.81Å; F418-L422 HydrophobicContact CE1-CD1 3.11Å; F418-L422 HydrophobicContact CE1-CD2 4.33Å; F418-L422 HydrophobicContact CE1-CG 3.68Å; F418-L422 HydrophobicContact CE2-CG 4.41Å; F418-L422 HydrophobicContact CG-CD1 4.25Å; F418-L422 HydrophobicContact CG-CG 4.24Å; F418-L422 HydrophobicContact CZ-CD1 3.85Å; F418-L422 HydrophobicContact CZ-CD2 4.25Å; F418-L422 HydrophobicContact CZ-CG 3.98Å; F418-L422 WeakPolarHBondContact O-CA 3.38Å; F418-L422 WeakPolarHBondContact O-CB 3.45Å; F418-L422 WeakPolarHBondContact O-CG 3.46Å; F418-L422 PolarHBondContact O-N 3.19Å
419	S	78.5	Confident	75.6	Confident	56 Å²	56	89.6 Å²	89.6	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-77.7	-39.7	171.3	-60.5	0	0	0	0	111.4	A415 I416 V417 L421 L422 I423	A415-S419 WeakPolarHBondContact O-CB 3.26Å; A415-S419 PolarHBondContact O-N 3.39Å; A415-S419 PolarHBondContact O-OG 3.31Å; I416-S419 CarbonylContact O-C 3.57Å; I416-S419 PolarHBondContact O-N 2.95Å; V417-S419 VanDerWaalsContact C-N 3.32Å; V417-S419 PolarHBondContact O-N 3.05Å; S419-L421 PolarHBondContact O-N 3.27Å; S419-L422 PolarHBondContact O-N 3.39Å; S419-I423 VanDerWaalsContact O-CB 3.28Å; S419-I423 WeakPolarHBondContact O-CB 3.42Å; S419-I423 VanDerWaalsContact O-CG1 3.24Å; S419-I423 WeakPolarHBondContact O-CG1 3.3Å; S419-I423 PolarHBondContact O-N 3.43Å
420	I	79.3	Confident	76.6	Confident	108 Å²	108	90.9 Å²	90.9	55%	0.554	49%	0.488	S	S	*	.	H	α-helix	trans	-66.9	-23.3	171.5	-70.5	169.7	0	0	0	110.6	I416 V417 P424	I416-I420 HydrophobicContact CG2-CD1 3.57Å; I416-I420 HydrophobicContact CG2-CG1 4.27Å; I416-I420 WeakPolarHBondContact O-CB 3.32Å; I416-I420 WeakPolarHBondContact O-CG1 3.5Å; I416-I420 PolarHBondContact O-N 2.96Å; V417-I420 CarbonylContact O-C 3.5Å; V417-I420 PolarHBondContact O-N 2.92Å; I420-P424 WeakPolarHBondContact O-CD 3.44Å; I420-P424 WeakPolarHBondContact O-CG 3.48Å
421	L	81.8	Confident	77.4	Confident	105 Å²	105	91.4 Å²	91.4	55%	0.55	49%	0.487	S	S	.	.	H	α-helix	trans	-91.1	-43.5	172.6	-71.8	171	0	0	0	110.6	V417 S419 M425	V417-L421 HydrophobicContact CG1-CD1 3.61Å; V417-L421 HydrophobicContact CG1-CG 4.11Å; V417-L421 WeakPolarHBondContact O-CA 3.45Å; V417-L421 WeakPolarHBondContact O-CB 3.42Å; V417-L421 WeakPolarHBondContact O-CG 3.47Å; V417-L421 PolarHBondContact O-N 2.81Å; S419-L421 PolarHBondContact O-N 3.27Å; L421-M425 WeakPolarHBondContact O-CA 3.48Å; L421-M425 WeakPolarHBondContact O-CB 3.29Å; L421-M425 PolarHBondContact O-N 3.22Å
422	L	83.4	Confident	78.1	Confident	72 Å²	72	91 Å²	91	38%	0.377	49%	0.487	S	S	.	.	H	α-helix	trans	-69.3	-39.4	-178.3	-88.4	-179.8	0	0	0	112.6	F418 S419 M425 A426	F418-L422 HydrophobicContact CD1-CD1 3.34Å; F418-L422 HydrophobicContact CD1-CG 3.81Å; F418-L422 HydrophobicContact CE1-CD1 3.11Å; F418-L422 HydrophobicContact CE1-CD2 4.33Å; F418-L422 HydrophobicContact CE1-CG 3.68Å; F418-L422 HydrophobicContact CE2-CG 4.41Å; F418-L422 HydrophobicContact CG-CD1 4.25Å; F418-L422 HydrophobicContact CG-CG 4.24Å; F418-L422 HydrophobicContact CZ-CD1 3.85Å; F418-L422 HydrophobicContact CZ-CD2 4.25Å; F418-L422 HydrophobicContact CZ-CG 3.98Å; F418-L422 WeakPolarHBondContact O-CA 3.38Å; F418-L422 WeakPolarHBondContact O-CB 3.45Å; F418-L422 WeakPolarHBondContact O-CG 3.46Å; F418-L422 PolarHBondContact O-N 3.19Å; S419-L422 PolarHBondContact O-N 3.39Å; L422-M425 CarbonylContact O-C 3.54Å; L422-M425 PolarHBondContact O-N 3.17Å; L422-A426 WeakPolarHBondContact O-CA 3Å; L422-A426 WeakPolarHBondContact O-CB 3.03Å; L422-A426 PolarHBondContact O-N 2.78Å
423	I	83.6	Confident	78.9	Confident	105 Å²	105	94.2 Å²	94.2	54%	0.538	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-50.2	-179.2	-67.5	166.2	0	0	0	109.3	S419 M425 A426 I427	S419-I423 VanDerWaalsContact O-CB 3.28Å; S419-I423 WeakPolarHBondContact O-CB 3.42Å; S419-I423 VanDerWaalsContact O-CG1 3.24Å; S419-I423 WeakPolarHBondContact O-CG1 3.3Å; S419-I423 PolarHBondContact O-N 3.43Å; I423-M425 VanDerWaalsContact C-N 3.33Å; I423-M425 PolarHBondContact O-N 3.42Å; I423-A426 PolarHBondContact O-N 3.36Å; I423-I427 HydrophobicContact CG2-CD1 3.77Å; I423-I427 HydrophobicContact CG2-CG1 4.48Å; I423-I427 WeakPolarHBondContact O-CB 3.43Å; I423-I427 WeakPolarHBondContact O-CG1 3.32Å; I423-I427 PolarHBondContact O-N 3.23Å
424	P	80.3	Confident	79.2	Confident	69 Å²	69	93.2 Å²	93.2	45%	0.448	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-34.4	169.3	-26.3	39.2	0	0	0	113.3	I420 A428	I420-P424 WeakPolarHBondContact O-CD 3.44Å; I420-P424 WeakPolarHBondContact O-CG 3.48Å; P424-A428 WeakPolarHBondContact O-CA 3.44Å; P424-A428 WeakPolarHBondContact O-CB 3.49Å; P424-A428 PolarHBondContact O-N 2.62Å
425	M	83.7	Confident	79.4	Confident	133 Å²	133	94.4 Å²	94.4	66%	0.655	48%	0.484	S	S	*	.	H	α-helix	trans	-71.3	-32.2	176.6	-172.4	-177.2	-120	0	0	111.8	L421 L422 I423 A428 F429	L421-M425 WeakPolarHBondContact O-CA 3.48Å; L421-M425 WeakPolarHBondContact O-CB 3.29Å; L421-M425 PolarHBondContact O-N 3.22Å; L422-M425 CarbonylContact O-C 3.54Å; L422-M425 PolarHBondContact O-N 3.17Å; I423-M425 VanDerWaalsContact C-N 3.33Å; I423-M425 PolarHBondContact O-N 3.42Å; M425-A428 CarbonylContact O-C 3.5Å; M425-F429 WeakPolarHBondContact O-CA 3.46Å; M425-F429 WeakPolarHBondContact O-CB 3.5Å; M425-F429 PolarHBondContact O-N 3.38Å
426	A	84.1	Confident	79.5	Confident	57 Å²	57	96.6 Å²	96.6	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-78.9	-38.1	176.2	0	0	0	0	0	110.9	L422 I423 F429 Y430	L422-A426 WeakPolarHBondContact O-CA 3Å; L422-A426 WeakPolarHBondContact O-CB 3.03Å; L422-A426 PolarHBondContact O-N 2.78Å; I423-A426 PolarHBondContact O-N 3.36Å; A426-F429 PolarHBondContact O-N 3.37Å; A426-Y430 WeakPolarHBondContact O-CB 3.33Å; A426-Y430 PolarHBondContact O-N 2.76Å
427	I	82.7	Confident	79.4	Confident	93 Å²	93	96.4 Å²	96.4	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-45.8	168.5	-68.4	167.3	0	0	0	109.1	I423 F429 Y430 L431	I423-I427 HydrophobicContact CG2-CD1 3.77Å; I423-I427 HydrophobicContact CG2-CG1 4.48Å; I423-I427 WeakPolarHBondContact O-CB 3.43Å; I423-I427 WeakPolarHBondContact O-CG1 3.32Å; I423-I427 PolarHBondContact O-N 3.23Å; I427-F429 VanDerWaalsContact C-N 3.34Å; I427-F429 PolarHBondContact O-N 3.02Å; I427-Y430 PolarHBondContact O-N 3.13Å; I427-L431 HydrophobicContact CG2-CD1 3.75Å; I427-L431 HydrophobicContact CG2-CG 4.19Å; I427-L431 VanDerWaalsContact O-CB 3.25Å; I427-L431 WeakPolarHBondContact O-CB 3.35Å; I427-L431 WeakPolarHBondContact O-CG 3.41Å; I427-L431 PolarHBondContact O-N 3.02Å
428	A	79.8	Confident	79.3	Confident	50 Å²	50	93.8 Å²	93.8	41%	0.413	47%	0.47	S	S	.	.	H	α-helix	trans	-64.4	-38.5	175.5	0	0	0	0	0	110.8	P424 M425 Q432	P424-A428 WeakPolarHBondContact O-CA 3.44Å; P424-A428 WeakPolarHBondContact O-CB 3.49Å; P424-A428 PolarHBondContact O-N 2.62Å; M425-A428 CarbonylContact O-C 3.5Å; A428-Q432 WeakPolarHBondContact O-CA 2.89Å; A428-Q432 WeakPolarHBondContact O-CB 3.33Å; A428-Q432 PolarHBondContact O-N 3.48Å
429	F	82.5	Confident	79	Confident	122 Å²	122	93 Å²	93	54%	0.535	47%	0.468	S	S	.	.	H	α-helix	trans	-69.5	-37.9	174.9	179.9	-98.9	0	0	0	111.3	M425 A426 I427 R433	M425-F429 WeakPolarHBondContact O-CA 3.46Å; M425-F429 WeakPolarHBondContact O-CB 3.5Å; M425-F429 PolarHBondContact O-N 3.38Å; A426-F429 PolarHBondContact O-N 3.37Å; I427-F429 VanDerWaalsContact C-N 3.34Å; I427-F429 PolarHBondContact O-N 3.02Å; F429-R433 WeakPolarHBondContact O-CA 3.45Å; F429-R433 WeakPolarHBondContact O-CB 3.23Å; F429-R433 PolarHBondContact O-N 3.01Å
430	Y	79.9	Confident	79.1	Confident	151 Å²	151	96.3 Å²	96.3	59%	0.592	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-44.9	174.4	173.7	-100.9	0	0	0	111.2	A426 I427 R433 K434	A426-Y430 WeakPolarHBondContact O-CB 3.33Å; A426-Y430 PolarHBondContact O-N 2.76Å; I427-Y430 PolarHBondContact O-N 3.13Å; Y430-R433 PolarHBondContact O-N 3.18Å; Y430-K434 WeakPolarHBondContact O-CB 3.41Å; Y430-K434 PolarHBondContact O-N 3.24Å
431	L	77.4	Confident	79.4	Confident	97 Å²	97	93.1 Å²	93.1	51%	0.508	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-41.1	174.8	-70	175.4	0	0	0	110.8	I427 K434 E435	I427-L431 HydrophobicContact CG2-CD1 3.75Å; I427-L431 HydrophobicContact CG2-CG 4.19Å; I427-L431 VanDerWaalsContact O-CB 3.25Å; I427-L431 WeakPolarHBondContact O-CB 3.35Å; I427-L431 WeakPolarHBondContact O-CG 3.41Å; I427-L431 PolarHBondContact O-N 3.02Å; L431-K434 PolarHBondContact O-N 3.38Å; L431-E435 WeakPolarHBondContact O-CB 3.18Å; L431-E435 PolarHBondContact O-N 3.37Å
432	Q	78.8	Confident	79.6	Confident	131 Å²	131	90.7 Å²	90.7	61%	0.612	45%	0.451	S	S	*	.	H	α-helix	trans	-67.3	-40.6	175.4	-176.9	-177.4	9.2	0	0	110.5	A428 E435 H436	A428-Q432 WeakPolarHBondContact O-CA 2.89Å; A428-Q432 WeakPolarHBondContact O-CB 3.33Å; A428-Q432 PolarHBondContact O-N 3.48Å; Q432-E435 PolarHBondContact O-N 2.73Å; Q432-H436 WeakPolarHBondContact O-CA 3.34Å; Q432-H436 WeakPolarHBondContact O-CB 3.38Å; Q432-H436 PolarHBondContact O-N 2.68Å
433	R	78.6	Confident	80	Confident	155 Å²	155	87.3 Å²	87.3	59%	0.585	43%	0.433	S	S	*	.	H	α-helix	trans	-67.8	-40.6	175.3	-174.5	177.7	178	178.7	0.6	110.6	F429 Y430 H436 L437	F429-R433 WeakPolarHBondContact O-CA 3.45Å; F429-R433 WeakPolarHBondContact O-CB 3.23Å; F429-R433 PolarHBondContact O-N 3.01Å; Y430-R433 PolarHBondContact O-N 3.18Å; R433-H436 PolarHBondContact O-N 3.4Å; R433-L437 HydrophobicContact CG-CD1 4.32Å; R433-L437 WeakPolarHBondContact O-CB 3.27Å; R433-L437 WeakPolarHBondContact O-CG 3.48Å; R433-L437 PolarHBondContact O-N 3.43Å
434	K	73.5	Confident	80.4	Confident	82 Å²	82	83.2 Å²	83.2	36%	0.357	41%	0.411	S	S	.	.	H	α-helix	trans	-64.7	-45.3	174.6	-174.2	-179	177.5	-174.5	0	110.9	Y430 L431 L437 I438	Y430-K434 WeakPolarHBondContact O-CB 3.41Å; Y430-K434 PolarHBondContact O-N 3.24Å; L431-K434 PolarHBondContact O-N 3.38Å; K434-L437 PolarHBondContact O-N 3.45Å; K434-I438 HydrophobicContact CG-CD1 4.2Å; K434-I438 VanDerWaalsContact O-CG1 3.28Å; K434-I438 WeakPolarHBondContact O-CG1 3.39Å; K434-I438 PolarHBondContact O-N 3.36Å
435	E	73.4	Confident	81	Confident	68 Å²	68	80.3 Å²	80.3	32%	0.318	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-43	175.7	-170.2	62.4	-158	0	0	110.5	L431 Q432 I438 Q439	L431-E435 WeakPolarHBondContact O-CB 3.18Å; L431-E435 PolarHBondContact O-N 3.37Å; Q432-E435 PolarHBondContact O-N 2.73Å; E435-I438 CarbonylContact O-C 3.58Å; E435-I438 PolarHBondContact O-N 3.36Å; E435-Q439 WeakPolarHBondContact O-CB 3.36Å; E435-Q439 VanDerWaalsContact O-CG 3.24Å; E435-Q439 WeakPolarHBondContact O-CG 3.38Å; E435-Q439 PolarHBondContact O-N 3.35Å
436	H	75	Confident	81.3	Confident	92 Å²	92	76.9 Å²	76.9	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-41.5	175.9	-176.1	-93.5	0	0	0	111.8	Q432 R433 I438 Q439 Q440	Q432-H436 WeakPolarHBondContact O-CA 3.34Å; Q432-H436 WeakPolarHBondContact O-CB 3.38Å; Q432-H436 PolarHBondContact O-N 2.68Å; R433-H436 PolarHBondContact O-N 3.4Å; H436-I438 VanDerWaalsContact C-N 3.32Å; H436-I438 PolarHBondContact O-N 3.03Å; H436-Q439 PolarHBondContact O-N 3.32Å; H436-Q440 VanDerWaalsContact CE1-CD 3.46Å; H436-Q440 PolarHBondContact CE1-NE2 3.26Å; H436-Q440 WeakPolarHBondContact O-CB 3.32Å; H436-Q440 VanDerWaalsContact O-CG 3.31Å; H436-Q440 WeakPolarHBondContact O-CG 3.5Å; H436-Q440 PolarHBondContact O-N 3.27Å
437	L	74.9	Confident	81.4	Confident	86 Å²	86	76.6 Å²	76.6	45%	0.45	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-39.6	173.3	-75.5	169	0	0	0	111.5	R433 K434 Q440 M441	R433-L437 HydrophobicContact CG-CD1 4.32Å; R433-L437 WeakPolarHBondContact O-CB 3.27Å; R433-L437 WeakPolarHBondContact O-CG 3.48Å; R433-L437 PolarHBondContact O-N 3.43Å; K434-L437 PolarHBondContact O-N 3.45Å; L437-Q440 PolarHBondContact O-N 2.88Å; L437-M441 WeakPolarHBondContact O-CG 3.37Å; L437-M441 PolarHBondContact O-N 2.99Å
438	I	74.6	Confident	81.6	Confident	11 Å²	11	79.8 Å²	79.8	6%	0.056	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-40.2	174.8	-70.4	166.5	0	0	0	110.9	K434 E435 H436 Q440 M441 R444 M512 F534	K434-I438 HydrophobicContact CG-CD1 4.2Å; K434-I438 VanDerWaalsContact O-CG1 3.28Å; K434-I438 WeakPolarHBondContact O-CG1 3.39Å; K434-I438 PolarHBondContact O-N 3.36Å; E435-I438 CarbonylContact O-C 3.58Å; E435-I438 PolarHBondContact O-N 3.36Å; H436-I438 VanDerWaalsContact C-N 3.32Å; H436-I438 PolarHBondContact O-N 3.03Å; I438-Q440 PolarHBondContact O-N 3.43Å; I438-M441 VanDerWaalsContact O-CB 3.32Å; I438-M441 WeakPolarHBondContact O-CB 3.47Å; I438-M441 PolarHBondContact O-N 3.42Å; I438-M441 VanDerWaalsContact O-N 3.11Å; I438-R444 WeakPolarHBondContact O-CB 3.11Å; I438-M512 HydrophobicContact CG1-SD 4.22Å; I438-F534 HydrophobicContact CG2-CZ 3.85Å
439	Q	74	Confident	82	Confident	111 Å²	111	78.7 Å²	78.7	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-64.2	-29.7	175.8	-75.6	176.6	3.7	0	0	112.2	E435 H436 M441	E435-Q439 WeakPolarHBondContact O-CB 3.36Å; E435-Q439 VanDerWaalsContact O-CG 3.24Å; E435-Q439 WeakPolarHBondContact O-CG 3.38Å; E435-Q439 PolarHBondContact O-N 3.35Å; H436-Q439 PolarHBondContact O-N 3.32Å; Q439-M441 VanDerWaalsContact C-N 3.31Å
440	Q	80.3	Confident	82.3	Confident	125 Å²	125	73.5 Å²	73.5	58%	0.584	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.7	174.8	-72.3	-174.5	-20.7	0	0	114	H436 L437 I438	H436-Q440 VanDerWaalsContact CE1-CD 3.46Å; H436-Q440 PolarHBondContact CE1-NE2 3.26Å; H436-Q440 WeakPolarHBondContact O-CB 3.32Å; H436-Q440 VanDerWaalsContact O-CG 3.31Å; H436-Q440 WeakPolarHBondContact O-CG 3.5Å; H436-Q440 PolarHBondContact O-N 3.27Å; L437-Q440 PolarHBondContact O-N 2.88Å; I438-Q440 PolarHBondContact O-N 3.43Å
441	M	85.3	Confident	82.6	Confident	41 Å²	41	69.2 Å²	69.2	20%	0.202	35%	0.347	C	S	.	.			trans	-69.7	130.2	177.3	-67.8	-66.6	172.5	0	0	110.5	L437 I438 Q439 W443 R444 M512	L437-M441 WeakPolarHBondContact O-CG 3.37Å; L437-M441 PolarHBondContact O-N 2.99Å; I438-M441 VanDerWaalsContact O-CB 3.32Å; I438-M441 WeakPolarHBondContact O-CB 3.47Å; I438-M441 PolarHBondContact O-N 3.42Å; I438-M441 VanDerWaalsContact O-N 3.11Å; Q439-M441 VanDerWaalsContact C-N 3.31Å; M441-W443 HydrophobicContact CB-CD2 4.16Å; M441-W443 HydrophobicContact CB-CG 4.47Å; M441-W443 HydrophobicContact CB-CZ2 3.84Å; M441-W443 HydrophobicContact CG-CZ2 3.78Å; M441-W443 PolarHBondContact O-N 3.49Å; M441-W443 VanDerWaalsContact O-N 3.13Å; M441-R444 HydrophobicContact CB-CB 4.21Å; M441-R444 VanDerWaalsContact O-CB 3.29Å; M441-R444 WeakPolarHBondContact O-CB 3.4Å; M441-R444 PolarHBondContact O-N 2.89Å; M441-M512 HydrophobicContact CE-SD 4.14Å
442	P	86.5	Confident	82.8	Confident	54 Å²	54	68 Å²	68	35%	0.351	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-173.8	27.4	-36.7	0	0	0	114.3	K519 Y520	P442-K519 HydrophobicContact CB-CG 4.28Å; P442-K519 HydrophobicContact CG-CG 4.3Å; P442-K519 VanDerWaalsContact O-CE 3.32Å; P442-K519 WeakPolarHBondContact O-CE 3.47Å; P442-Y520 HydrophobicContact CG-CE2 4.06Å
443	W	92.1	Very high	82.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.9	173.2	53.3	-96.8	0	0	0	113	M441 V445 F507 M512 L515 N516 K519 F529 G531 I532 F534	M441-W443 HydrophobicContact CB-CD2 4.16Å; M441-W443 HydrophobicContact CB-CG 4.47Å; M441-W443 HydrophobicContact CB-CZ2 3.84Å; M441-W443 HydrophobicContact CG-CZ2 3.78Å; M441-W443 PolarHBondContact O-N 3.49Å; M441-W443 VanDerWaalsContact O-N 3.13Å; W443-V445 PolarHBondContact O-N 2.7Å; W443-F507 AromaticContact CH2-CD2 3.98Å; W443-F507 HydrophobicContact CH2-CD2 3.98Å; W443-F507 HydrophobicContact CH2-CE2 4.34Å; W443-F507 HydrophobicContact CH2-CG 4.27Å; W443-F507 HydrophobicContact CZ3-CD2 4.34Å; W443-F507 HydrophobicContact CZ3-CE2 4.24Å; W443-M512 HydrophobicContact CH2-CG 4.43Å; W443-M512 HydrophobicContact CZ2-CB 4.26Å; W443-M512 HydrophobicContact CZ2-CG 3.95Å; W443-L515 HydrophobicContact CD2-CB 3.82Å; W443-L515 HydrophobicContact CD2-CD1 4.1Å; W443-L515 HydrophobicContact CE3-CB 4.41Å; W443-L515 HydrophobicContact CE3-CD1 3.88Å; W443-L515 HydrophobicContact CG-CB 3.98Å; W443-L515 HydrophobicContact CH2-CD1 3.74Å; W443-L515 HydrophobicContact CZ2-CB 4.29Å; W443-L515 HydrophobicContact CZ2-CD1 3.96Å; W443-L515 HydrophobicContact CZ3-CD1 3.68Å; W443-N516 PolarHBondContact NE1-OD1 2.71Å; W443-K519 HydrophobicContact CB-CB 4.09Å; W443-K519 HydrophobicContact CB-CD 4.37Å; W443-K519 HydrophobicContact CB-CG 4.24Å; W443-F529 HydrophobicContact CB-CE1 3.99Å; W443-G531 CarbonylContact O-C 3.55Å; W443-G531 WeakPolarHBondContact O-CA 2.94Å; W443-I532 PolarHBondContact O-N 3.43Å; W443-F534 AromaticContact CZ3-CE1 3.91Å; W443-F534 HydrophobicContact CZ3-CE1 3.91Å
444	R	92.2	Very high	80.6	Confident	19 Å²	19	66.1 Å²	66.1	7%	0.072	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-80.4	118.3	174	179.4	65	173	115.2	-4.9	108.6	I438 M441 F534 Q536	I438-R444 WeakPolarHBondContact O-CB 3.11Å; M441-R444 HydrophobicContact CB-CB 4.21Å; M441-R444 VanDerWaalsContact O-CB 3.29Å; M441-R444 WeakPolarHBondContact O-CB 3.4Å; M441-R444 PolarHBondContact O-N 2.89Å; R444-F534 VanDerWaalsContact CZ-O 3.24Å; R444-F534 PolarHBondContact NH1-O 3.31Å; R444-F534 PolarHBondContact NH2-O 2.89Å; R444-Q536 VanDerWaalsContact NH2-CD 3.26Å; R444-Q536 VanDerWaalsContact NH2-NE2 3.18Å
445	V	91.2	Very high	78.8	Confident	8 Å²	8	70.2 Å²	70.2	5%	0.048	37%	0.37	C	S	.	.			trans	-108.9	128.2	177.3	178.6	0	0	0	0	108.8	W443 S449 I450 V489 I532 C533 M543	W443-V445 PolarHBondContact O-N 2.7Å; V445-S449 VanDerWaalsContact CG1-OG 3.29Å; V445-S449 WeakPolarHBondContact CG1-OG 3.19Å; V445-I450 HydrophobicContact CG1-CD1 4.13Å; V445-I450 HydrophobicContact CG1-CG1 3.93Å; V445-V489 HydrophobicContact CG1-CG1 3.57Å; V445-V489 HydrophobicContact CG1-CG2 4.48Å; V445-I532 PolarHBondContact N-O 3.03Å; V445-I532 VanDerWaalsContact N-O 3.08Å; V445-C533 WeakPolarHBondContact O-CB 3.46Å; V445-C533 PolarHBondContact O-SG 2.93Å; V445-M543 HydrophobicContact CB-CE 3.54Å; V445-M543 HydrophobicContact CG1-CE 3.88Å; V445-M543 HydrophobicContact CG1-SD 4.24Å; V445-M543 HydrophobicContact CG2-CE 3.73Å
446	P	89.9	Confident	76.8	Confident	61 Å²	61	69.6 Å²	69.6	40%	0.396	38%	0.381	S	S	.	.			trans	-76.6	142.3	174.9	29.2	-31.1	0	0	0	111.3	D448 S449 Q536	P446-D448 VanDerWaalsContact C-N 3.27Å; P446-D448 PolarHBondContact O-N 3.27Å; P446-S449 WeakPolarHBondContact CD-OG 3.25Å; P446-S449 WeakPolarHBondContact O-CB 3.41Å; P446-S449 PolarHBondContact O-N 3.02Å; P446-S449 PolarHBondContact O-OG 3.28Å; P446-Q536 VanDerWaalsContact CA-OE1 3.22Å
447	L	88.1	Confident	74.5	Confident	52 Å²	52	68.4 Å²	68.4	27%	0.272	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-57.6	-39.2	-178.4	-176.4	64	0	0	0	112	S449 I450 F452 Q536 I541	L447-S449 PolarHBondContact O-N 3.42Å; L447-S449 VanDerWaalsContact O-N 3.11Å; L447-I450 HydrophobicContact CD1-CD1 4.25Å; L447-I450 WeakPolarHBondContact O-CA 3.34Å; L447-I450 VanDerWaalsContact O-CB 3.32Å; L447-I450 WeakPolarHBondContact O-CB 3.4Å; L447-I450 PolarHBondContact O-N 2.79Å; L447-F452 HydrophobicContact CD1-CE2 4.34Å; L447-Q536 HydrophobicContact CB-CB 3.94Å; L447-Q536 WeakPolarHBondContact CD2-O 3.37Å; L447-I541 HydrophobicContact CD1-CD1 4.15Å
448	D	86.5	Confident	72.2	Confident	160 Å²	160	69.2 Å²	69.2	86%	0.856	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-63.1	-19.3	179.5	-54.8	-21	0	0	0	113.3	P446 I450	P446-D448 VanDerWaalsContact C-N 3.27Å; P446-D448 PolarHBondContact O-N 3.27Å; D448-I450 VanDerWaalsContact C-N 3.32Å
449	S	86.9	Confident	69.9	Low	26 Å²	26	76 Å²	76	18%	0.182	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-84.1	-9.1	173.5	72.2	0	0	0	0	113.5	V445 P446 L447 V489	V445-S449 VanDerWaalsContact CG1-OG 3.29Å; V445-S449 WeakPolarHBondContact CG1-OG 3.19Å; P446-S449 WeakPolarHBondContact CD-OG 3.25Å; P446-S449 WeakPolarHBondContact O-CB 3.41Å; P446-S449 PolarHBondContact O-N 3.02Å; P446-S449 PolarHBondContact O-OG 3.28Å; L447-S449 PolarHBondContact O-N 3.42Å; L447-S449 VanDerWaalsContact O-N 3.11Å; S449-V489 WeakPolarHBondContact O-CA 3.43Å
450	I	88.9	Confident	67.8	Low	14 Å²	14	75.9 Å²	75.9	7%	0.072	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.7	-179	-46.6	-178.2	0	0	0	108.3	V445 L447 D448 F452 A487 V489 C533 I541 M543	V445-I450 HydrophobicContact CG1-CD1 4.13Å; V445-I450 HydrophobicContact CG1-CG1 3.93Å; L447-I450 HydrophobicContact CD1-CD1 4.25Å; L447-I450 WeakPolarHBondContact O-CA 3.34Å; L447-I450 VanDerWaalsContact O-CB 3.32Å; L447-I450 WeakPolarHBondContact O-CB 3.4Å; L447-I450 PolarHBondContact O-N 2.79Å; D448-I450 VanDerWaalsContact C-N 3.32Å; I450-F452 HydrophobicContact CB-CE2 4.38Å; I450-F452 HydrophobicContact CB-CZ 4.46Å; I450-F452 HydrophobicContact CG2-CD2 4.37Å; I450-F452 HydrophobicContact CG2-CE1 3.95Å; I450-F452 HydrophobicContact CG2-CE2 3.76Å; I450-F452 HydrophobicContact CG2-CZ 3.53Å; I450-A487 HydrophobicContact CG2-CB 3.6Å; I450-V489 HydrophobicContact CB-CG2 4.25Å; I450-V489 HydrophobicContact CG1-CG2 3.89Å; I450-V489 HydrophobicContact CG2-CG2 4.11Å; I450-C533 HydrophobicContact CD1-CB 3.65Å; I450-I541 HydrophobicContact CD1-CD1 4.43Å; I450-M543 HydrophobicContact CD1-CE 4.09Å; I450-M543 HydrophobicContact CD1-SD 3.75Å; I450-M543 HydrophobicContact CG1-SD 4.34Å
451	S	86	Confident	65.4	Low	61 Å²	61	74 Å²	74	43%	0.427	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.5	170.3	45.6	0	0	0	0	109.2	A487 I488	S451-A487 CarbonylContact O-C 3.51Å; S451-A487 WeakPolarHBondContact O-CA 3.26Å; S451-A487 WeakPolarHBondContact O-CB 3.47Å; S451-I488 PolarHBondContact N-O 2.63Å; S451-I488 PolarHBondContact O-N 3.04Å; S451-I488 WeakPolarHBondContact OG-CB 3.27Å; S451-I488 PolarHBondContact OG-O 3.24Å; S451-I488 VanDerWaalsContact OG-O 3.14Å
452	F	82.1	Confident	62.6	Low	71 Å²	71	76.5 Å²	76.5	31%	0.311	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135	174.7	-60.2	-82.6	0	0	0	108.4	L447 I450 D454 A487 I541	L447-F452 HydrophobicContact CD1-CE2 4.34Å; I450-F452 HydrophobicContact CB-CE2 4.38Å; I450-F452 HydrophobicContact CB-CZ 4.46Å; I450-F452 HydrophobicContact CG2-CD2 4.37Å; I450-F452 HydrophobicContact CG2-CE1 3.95Å; I450-F452 HydrophobicContact CG2-CE2 3.76Å; I450-F452 HydrophobicContact CG2-CZ 3.53Å; F452-D454 PolarHBondContact O-N 3.24Å; F452-A487 HydrophobicContact CD1-CB 3.9Å; F452-A487 HydrophobicContact CE1-CB 4.02Å; F452-I541 HydrophobicContact CZ-CD1 3.95Å
453	D	66.8	Low	59.6	Low	94 Å²	94	84.7 Å²	84.7	50%	0.503	51%	0.505	S	S	.	.			trans	-70.3	99.2	172.8	-81.6	-27.6	0	0	0	108.2	N455	D453-N455 PolarHBondContact O-N 3.44Å
454	D	45.1	Very low	56.4	Low	153 Å²	153	96.2 Å²	96.2	82%	0.818	55%	0.549	S	S	*	.			trans	-68	18.9	178.6	-90	-20.6	0	0	0	114.3	F452 G456	F452-D454 PolarHBondContact O-N 3.24Å; D454-G456 PolarHBondContact O-N 2.82Å
455	N	36.2	Very low	53.4	Low	168 Å²	168	101.1 Å²	101.1	90%	0.898	58%	0.58	S	S	*	*			trans	-75.1	21.2	175.3	-88	-9.2	0	0	0	114.1	D453	D453-N455 PolarHBondContact O-N 3.44Å
456	G	30.7	Very low	50.3	Low	54 Å²	54	105.2 Å²	105.2	56%	0.557	61%	0.609	S	S	*	*			trans	-97.1	51.8	166.7	0	0	0	0	0	112.1	D454 S458	D454-G456 PolarHBondContact O-N 2.82Å; G456-S458 PolarHBondContact O-N 2.95Å
457	G	27.4	Very low	47.5	Very low	68 Å²	68	109.3 Å²	109.3	70%	0.701	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	111.5	167.2	0	0	0	0	0	110.6
458	S	25	Very low	44.5	Very low	103 Å²	103	113.5 Å²	113.5	72%	0.72	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.4	60.1	162.1	-159.2	0	0	0	0	117.5	G456 S460	G456-S458 PolarHBondContact O-N 2.95Å; S458-S460 VanDerWaalsContact C-N 3.34Å
459	L	27.8	Very low	41.6	Very low	154 Å²	154	110.7 Å²	110.7	81%	0.806	65%	0.647	S	S	*	*			trans	-91.1	12.9	163.9	-88.5	160.2	0	0	0	114.1
460	S	28.8	Very low	38.9	Very low	108 Å²	108	114.8 Å²	114.8	76%	0.755	67%	0.671	S	S	*	*	S	Bend	trans	-92.8	-1.3	178	-70.1	0	0	0	0	115.1	S458	S458-S460 VanDerWaalsContact C-N 3.34Å
461	A	30.1	Very low	36.4	Very low	86 Å²	86	118 Å²	118	71%	0.711	70%	0.701	S	S	*	*	S	Bend	trans	-106.4	-12.4	-175.9	0	0	0	0	0	116.6
462	S	25.9	Very low	33.8	Very low	93 Å²	93	126 Å²	126	65%	0.65	72%	0.721	S	S	*	*			trans	-101.1	27.2	-174.5	-160.2	0	0	0	0	115.2	R464	S462-R464 PolarHBondContact O-N 3.24Å; S462-R464 VanDerWaalsContact O-N 3.14Å
463	R	24.6	Very low	31.2	Very low	225 Å²	225	125.6 Å²	125.6	85%	0.849	73%	0.731	S	S	*	*			trans	-81.1	22.7	179.5	-131	-173.7	-72.6	178.2	-2.3	114.7
464	R	24	Very low	29.4	Very low	243 Å²	243	124.6 Å²	124.6	92%	0.917	73%	0.731	S	S	*	*			trans	-130.4	80.7	170.2	-69.5	-173.5	-164.7	173.6	5.4	109.4	S462	S462-R464 PolarHBondContact O-N 3.24Å; S462-R464 VanDerWaalsContact O-N 3.14Å
465	V	28.7	Very low	28.8	Very low	121 Å²	121	125.3 Å²	125.3	73%	0.733	72%	0.724	S	S	*	*			trans	-93.6	121.1	170.3	178.7	0	0	0	0	108.7
466	S	27.6	Very low	28.4	Very low	94 Å²	94	121.3 Å²	121.3	66%	0.657	71%	0.709	S	S	*	*			trans	-42.4	128.2	172.9	45.4	0	0	0	0	113.7	I468	S466-I468 PolarHBondContact O-N 2.66Å
467	T	29.6	Very low	28.2	Very low	147 Å²	147	122.9 Å²	122.9	90%	0.902	71%	0.711	S	S	*	*			trans	-61.4	86	166.4	22.7	0	0	0	0	111.2
468	I	26.5	Very low	28.5	Very low	140 Å²	140	124.8 Å²	124.8	72%	0.718	70%	0.704	S	S	*	*			trans	-137.5	102.9	162.3	-62.6	-177.9	0	0	0	109.1	S466	S466-I468 PolarHBondContact O-N 2.66Å
469	S	26	Very low	29	Very low	101 Å²	101	123.2 Å²	123.2	71%	0.706	69%	0.685	S	S	*	*			trans	22.6	108.1	152.4	55.3	0	0	0	0	119.3
470	T	29.4	Very low	29.2	Very low	112 Å²	112	120.4 Å²	120.4	69%	0.687	68%	0.677	S	S	*	*				180	135.1	115.7	36.7	0	0	0	0	108.2	R472 A473	T470-R472 PolarHBondContact O-N 3.2Å; T470-A473 PolarHBondContact O-N 3.37Å
471	A	36.1	Very low	29.4	Very low	83 Å²	83	118.4 Å²	118.4	69%	0.686	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	4.9	-173.6	0	0	0	0	0	116.1
472	R	30.5	Very low	29.7	Very low	229 Å²	229	119.9 Å²	119.9	86%	0.864	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-29.9	174.4	-89.2	179.5	172.1	135.6	-1.9	113.7	T470	T470-R472 PolarHBondContact O-N 3.2Å
473	A	28.6	Very low	30.6	Very low	61 Å²	61	120.4 Å²	120.4	50%	0.504	67%	0.669	S	S	.	*	H	α-helix	trans	-75.4	-28.7	-178.5	0	0	0	0	0	112.9	T470 Y475 S476	T470-A473 PolarHBondContact O-N 3.37Å; A473-Y475 PolarHBondContact O-N 2.77Å; A473-S476 PolarHBondContact O-N 3.45Å; A473-S476 PolarHBondContact O-OG 3.45Å
474	S	29.3	Very low	31.9	Very low	73 Å²	73	110.8 Å²	110.8	51%	0.51	64%	0.638	S	S	.	*	H	α-helix	trans	-64.8	-20.7	-175.7	-56.5	0	0	0	0	114.5	I478	S474-I478 WeakPolarHBondContact O-CD1 2.95Å; S474-I478 WeakPolarHBondContact O-CG1 3.34Å
475	Y	31.7	Very low	34.1	Very low	169 Å²	169	103.2 Å²	103.2	66%	0.663	61%	0.613	S	S	*	*	H	α-helix	trans	-81.2	-34	178.1	-73	-80.1	0	0	0	112.8	A473 F479	A473-Y475 PolarHBondContact O-N 2.77Å; Y475-F479 WeakPolarHBondContact O-CD2 3.38Å
476	S	28	Very low	36.6	Very low	84 Å²	84	99.3 Å²	99.3	59%	0.587	59%	0.586	S	S	*	*	H	α-helix	trans	-70.9	-35.2	-177.2	67.2	0	0	0	0	113.5	A473 I478 F479	A473-S476 PolarHBondContact O-N 3.45Å; A473-S476 PolarHBondContact O-OG 3.45Å; S476-I478 VanDerWaalsContact C-N 3.32Å; S476-I478 PolarHBondContact O-N 3.11Å; S476-F479 PolarHBondContact O-N 3.35Å
477	S	27.7	Very low	39.4	Very low	87 Å²	87	94.8 Å²	94.8	61%	0.608	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-19.7	-179.3	56.1	0	0	0	0	113.9	F479	S477-F479 VanDerWaalsContact C-N 3.32Å
478	I	33.4	Very low	42.2	Very low	107 Å²	107	90.5 Å²	90.5	55%	0.549	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-22.9	176.6	-65.9	173.1	0	0	0	111.2	S474 S476	S474-I478 WeakPolarHBondContact O-CD1 2.95Å; S474-I478 WeakPolarHBondContact O-CG1 3.34Å; S476-I478 VanDerWaalsContact C-N 3.32Å; S476-I478 PolarHBondContact O-N 3.11Å
479	F	35.4	Very low	45.2	Very low	71 Å²	71	84 Å²	84	31%	0.311	49%	0.493	S	S	.	.	S	Bend	trans	-103.3	-0.4	-170	-81.6	-96.3	0	0	0	115.6	Y475 S476 S477 G481 H638	Y475-F479 WeakPolarHBondContact O-CD2 3.38Å; S476-F479 PolarHBondContact O-N 3.35Å; S477-F479 VanDerWaalsContact C-N 3.32Å; F479-G481 PolarHBondContact O-N 3.19Å; F479-H638 AromaticContact CD1-NE2 3.99Å; F479-H638 AromaticContact CE1-CE1 3.46Å; F479-H638 VanDerWaalsContact CE1-CE1 3.46Å; F479-H638 WeakPolarHBondContact CE1-CE1 3.35Å; F479-H638 AromaticContact CE1-NE2 3.68Å; F479-H638 AromaticContact CZ-CE1 3.87Å; F479-H638 AromaticContact CZ-NE2 3.89Å
480	S	30.9	Very low	48	Very low	94 Å²	94	85.1 Å²	85.1	66%	0.657	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-66.7	2.3	175.8	-72.2	0	0	0	0	114.6	N482	S480-N482 VanDerWaalsContact C-N 3.33Å; S480-N482 PolarHBondContact O-N 3.33Å
481	G	32.9	Very low	50.4	Low	67 Å²	67	89.6 Å²	89.6	69%	0.691	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-72	-13.2	-175.2	0	0	0	0	0	116.3	F479	F479-G481 PolarHBondContact O-N 3.19Å
482	N	38	Very low	52.7	Low	116 Å²	116	91.6 Å²	91.6	62%	0.62	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-146.5	32.3	-172.3	-84.8	-25.7	0	0	0	114.4	S480 A484	S480-N482 VanDerWaalsContact C-N 3.33Å; S480-N482 PolarHBondContact O-N 3.33Å; N482-A484 PolarHBondContact O-N 2.95Å
483	V	43.6	Very low	55.5	Low	105 Å²	105	84.9 Å²	84.9	64%	0.636	47%	0.473	S	S	*	.			trans	-65.6	98.5	161.4	-177.1	0	0	0	0	105.5	E485	V483-E485 PolarHBondContact O-N 3.3Å
484	A	52.1	Low	58.5	Low	22 Å²	22	82 Å²	82	18%	0.182	45%	0.449	C	S	.	.			trans	-57.4	118	179.1	0	0	0	0	0	107	N482 H486 S495	N482-A484 PolarHBondContact O-N 2.95Å; A484-H486 PolarHBondContact O-CE1 3.11Å; A484-H486 PolarHBondContact O-NE2 3.11Å; A484-S495 WeakPolarHBondContact CB-OG 3.48Å
485	E	70.1	Confident	61.4	Low	84 Å²	84	79.8 Å²	79.8	39%	0.393	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	155.6	179.4	-75.1	174.3	175.1	0	0	109.3	V483 V496 R498	V483-E485 PolarHBondContact O-N 3.3Å; E485-V496 PolarHBondContact N-O 3.27Å; E485-V496 WeakPolarHBondContact O-CB 3.44Å; E485-V496 PolarHBondContact O-N 2.91Å; E485-R498 IonicContact OE1-CZ 2.96Å; E485-R498 IonicContact OE1-NE 3.53Å; E485-R498 IonicContact OE1-NH2 2.69Å; E485-R498 PolarHBondContact OE1-NH2 2.83Å; E485-R498 IonicContact OE2-CZ 3.03Å; E485-R498 IonicContact OE2-NE 2.68Å; E485-R498 PolarHBondContact OE2-NE 2.92Å; E485-R498 IonicContact OE2-NH2 2.66Å; E485-R498 PolarHBondContact OE2-NH2 2.95Å
486	H	81.4	Confident	64.1	Low	39 Å²	39	71.9 Å²	71.9	18%	0.181	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.6	-179.4	-51.3	93.3	0	0	0	109	A484 V494 F546 Y550	A484-H486 PolarHBondContact O-CE1 3.11Å; A484-H486 PolarHBondContact O-NE2 3.11Å; H486-V494 WeakPolarHBondContact CA-O 3.38Å; H486-F546 AromaticContact CD2-CD2 3.05Å; H486-F546 WeakPolarHBondContact CD2-CD2 3.36Å; H486-F546 AromaticContact CD2-CE2 3.14Å; H486-F546 WeakPolarHBondContact CD2-CE2 3.17Å; H486-F546 AromaticContact NE2-CD2 3.41Å; H486-F546 WeakPolarHBondContact NE2-CD2 3.41Å; H486-F546 AromaticContact NE2-CE2 3.08Å; H486-F546 WeakPolarHBondContact NE2-CE2 3.19Å; H486-Y550 AromaticContact CE1-CE1 3.72Å; H486-Y550 AromaticContact NE2-CE1 3.86Å
487	A	87.4	Confident	66.9	Low	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	166.3	170.4	0	0	0	0	0	109.3	I450 S451 F452 K493 V494 V496	I450-A487 HydrophobicContact CG2-CB 3.6Å; S451-A487 CarbonylContact O-C 3.51Å; S451-A487 WeakPolarHBondContact O-CA 3.26Å; S451-A487 WeakPolarHBondContact O-CB 3.47Å; F452-A487 HydrophobicContact CD1-CB 3.9Å; F452-A487 HydrophobicContact CE1-CB 4.02Å; A487-K493 WeakPolarHBondContact O-CA 3.3Å; A487-V494 HydrophobicContact CB-CG2 4.03Å; A487-V494 PolarHBondContact N-O 2.86Å; A487-V494 VanDerWaalsContact N-O 3.09Å; A487-V494 WeakPolarHBondContact O-CG2 3.47Å; A487-V494 PolarHBondContact O-N 3.29Å; A487-V496 HydrophobicContact CB-CG2 3.67Å
488	I	88.2	Confident	69.7	Low	57 Å²	57	71.4 Å²	71.4	29%	0.292	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.7	171.7	-60.5	167.4	0	0	0	107.6	S451 Q492	S451-I488 PolarHBondContact N-O 2.63Å; S451-I488 PolarHBondContact O-N 3.04Å; S451-I488 WeakPolarHBondContact OG-CB 3.27Å; S451-I488 PolarHBondContact OG-O 3.24Å; S451-I488 VanDerWaalsContact OG-O 3.14Å; I488-Q492 WeakPolarHBondContact CA-O 3.42Å
489	V	88.4	Confident	72.2	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.8	177.5	179.2	0	0	0	0	108.5	V445 S449 I450 K491 Q492 V494 M543	V445-V489 HydrophobicContact CG1-CG1 3.57Å; V445-V489 HydrophobicContact CG1-CG2 4.48Å; S449-V489 WeakPolarHBondContact O-CA 3.43Å; I450-V489 HydrophobicContact CB-CG2 4.25Å; I450-V489 HydrophobicContact CG1-CG2 3.89Å; I450-V489 HydrophobicContact CG2-CG2 4.11Å; V489-K491 PolarHBondContact O-N 2.88Å; V489-Q492 PolarHBondContact N-O 2.92Å; V489-Q492 WeakPolarHBondContact O-CB 3.11Å; V489-Q492 PolarHBondContact O-N 3.13Å; V489-V494 HydrophobicContact CB-CG1 4.22Å; V489-V494 HydrophobicContact CB-CG2 4.31Å; V489-V494 HydrophobicContact CG2-CG1 4.36Å; V489-V494 HydrophobicContact CG2-CG2 3.61Å; V489-M543 HydrophobicContact CG2-SD 3.82Å
490	N	84.1	Confident	74.6	Confident	123 Å²	123	68.8 Å²	68.8	66%	0.658	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	42.2	-178.4	-61.9	-30.4	0	0	0	113.2	Q492	N490-Q492 PolarHBondContact O-N 3.14Å
491	K	80.2	Confident	77.3	Confident	206 Å²	206	65.3 Å²	65.3	90%	0.896	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	9.5	-175.7	-49.7	177.7	179.7	179.5	0	115.3	V489	V489-K491 PolarHBondContact O-N 2.88Å
492	Q	85.2	Confident	79.9	Confident	126 Å²	126	69.9 Å²	69.9	59%	0.589	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	133.8	174.2	-63.3	-176.2	-11.1	0	0	109.9	I488 V489 N490	I488-Q492 WeakPolarHBondContact CA-O 3.42Å; V489-Q492 PolarHBondContact N-O 2.92Å; V489-Q492 WeakPolarHBondContact O-CB 3.11Å; V489-Q492 PolarHBondContact O-N 3.13Å; N490-Q492 PolarHBondContact O-N 3.14Å
493	K	89	Confident	82.2	Confident	88 Å²	88	71.9 Å²	71.9	38%	0.383	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.6	175	-164.4	164.1	176.7	163.5	0	109.5	A487 F546	A487-K493 WeakPolarHBondContact O-CA 3.3Å; K493-F546 VanDerWaalsContact C-CB 3.47Å; K493-F546 HydrophobicContact CB-CB 3.99Å; K493-F546 HydrophobicContact CB-CD1 4.02Å; K493-F546 HydrophobicContact CB-CG 4.3Å; K493-F546 HydrophobicContact CD-CD1 3.49Å; K493-F546 VanDerWaalsContact CD-CD1 3.49Å; K493-F546 HydrophobicContact CD-CE1 3.72Å; K493-F546 HydrophobicContact CD-CG 4.06Å; K493-F546 HydrophobicContact CD-CZ 4.48Å; K493-F546 HydrophobicContact CG-CB 3.81Å; K493-F546 HydrophobicContact CG-CD1 3.63Å; K493-F546 HydrophobicContact CG-CE1 4.35Å; K493-F546 HydrophobicContact CG-CG 3.77Å; K493-F546 WeakPolarHBondContact O-CB 2.96Å; K493-F546 PolarHBondContact O-N 3.21Å; K493-F546 VanDerWaalsContact O-N 3.15Å
494	V	91	Very high	84.3	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.6	-178.7	-61.7	0	0	0	0	110.7	H486 A487 V489 V496 T530 M543 W544	H486-V494 WeakPolarHBondContact CA-O 3.38Å; A487-V494 HydrophobicContact CB-CG2 4.03Å; A487-V494 PolarHBondContact N-O 2.86Å; A487-V494 VanDerWaalsContact N-O 3.09Å; A487-V494 WeakPolarHBondContact O-CG2 3.47Å; A487-V494 PolarHBondContact O-N 3.29Å; V489-V494 HydrophobicContact CB-CG1 4.22Å; V489-V494 HydrophobicContact CB-CG2 4.31Å; V489-V494 HydrophobicContact CG2-CG1 4.36Å; V489-V494 HydrophobicContact CG2-CG2 3.61Å; V494-V496 HydrophobicContact CG2-CG2 3.89Å; V494-T530 HydrophobicContact CG1-CG2 3.92Å; V494-M543 HydrophobicContact CB-CB 4.45Å; V494-M543 HydrophobicContact CG2-CB 4.48Å; V494-M543 HydrophobicContact CG2-CG 4.24Å; V494-M543 HydrophobicContact CG2-SD 4.43Å; V494-W544 CarbonylContact C-O 3.58Å; V494-W544 WeakPolarHBondContact CA-O 3.2Å; V494-W544 WeakPolarHBondContact CB-O 3.31Å
495	S	90	Very high	86	Confident	26 Å²	26	69.2 Å²	69.2	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.6	169.2	176.5	0	0	0	0	109.1	A484 M543 W544	A484-S495 WeakPolarHBondContact CB-OG 3.48Å; S495-M543 WeakPolarHBondContact O-CA 3.34Å; S495-W544 PolarHBondContact N-O 3.48Å; S495-W544 PolarHBondContact O-N 2.64Å
496	V	88.9	Confident	86.8	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.5	-165.6	-174.7	0	0	0	0	111.5	E485 A487 V494 R498 I541 M543	E485-V496 PolarHBondContact N-O 3.27Å; E485-V496 WeakPolarHBondContact O-CB 3.44Å; E485-V496 PolarHBondContact O-N 2.91Å; A487-V496 HydrophobicContact CB-CG2 3.67Å; V494-V496 HydrophobicContact CG2-CG2 3.89Å; V496-R498 HydrophobicContact CG1-CG 3.89Å; V496-I541 HydrophobicContact CG1-CG2 3.16Å; V496-M543 HydrophobicContact CG2-CG 4.22Å
497	K	86.8	Confident	87.1	Confident	53 Å²	53	67.3 Å²	67.3	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.8	166.6	-73.6	-177.1	179.3	169.4	0	110.5	I541 V542 D610	K497-I541 WeakPolarHBondContact O-CA 3.05Å; K497-V542 HydrophobicContact CB-CB 4.49Å; K497-V542 PolarHBondContact N-O 3.34Å; K497-V542 PolarHBondContact O-N 2.91Å; K497-D610 IonicContact NZ-OD1 2.97Å; K497-D610 PolarHBondContact NZ-OD1 3.35Å; K497-D610 IonicContact NZ-OD2 3.97Å; K497-D610 PolarHBondContact NZ-OD2 2.83Å
498	R	87.5	Confident	87.1	Confident	108 Å²	108	69.9 Å²	69.9	41%	0.408	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.1	-176.2	-57	-170.3	-73.6	151.4	-9.4	110.5	E485 V496 E539 L540 I541	E485-R498 IonicContact OE1-CZ 2.96Å; E485-R498 IonicContact OE1-NE 3.53Å; E485-R498 IonicContact OE1-NH2 2.69Å; E485-R498 PolarHBondContact OE1-NH2 2.83Å; E485-R498 IonicContact OE2-CZ 3.03Å; E485-R498 IonicContact OE2-NE 2.68Å; E485-R498 PolarHBondContact OE2-NE 2.92Å; E485-R498 IonicContact OE2-NH2 2.66Å; E485-R498 PolarHBondContact OE2-NH2 2.95Å; V496-R498 HydrophobicContact CG1-CG 3.89Å; R498-E539 WeakPolarHBondContact CD-OE2 3.24Å; R498-E539 IonicContact NH1-OE1 3.38Å; R498-E539 PolarHBondContact NH1-OE1 2.9Å; R498-E539 IonicContact NH1-OE2 3.21Å; R498-E539 PolarHBondContact NH1-OE2 3.09Å; R498-L540 CarbonylContact C-O 3.56Å; R498-L540 WeakPolarHBondContact CA-O 3.25Å; R498-I541 HydrophobicContact CG-CG1 4.43Å
499	H	85.6	Confident	86.9	Confident	43 Å²	43	76.1 Å²	76.1	20%	0.199	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.6	176.4	-64.4	-90	0	0	0	108.3	Q501 E539 L540 L626	H499-Q501 PolarHBondContact O-N 3.15Å; H499-E539 CarbonylContact O-C 3.58Å; H499-E539 VanDerWaalsContact O-CA 3.26Å; H499-E539 WeakPolarHBondContact O-CA 3.35Å; H499-L540 HydrophobicContact CB-CB 4.38Å; H499-L540 HydrophobicContact CB-CD2 4.26Å; H499-L540 PolarHBondContact N-O 2.81Å; H499-L540 PolarHBondContact O-N 2.9Å; H499-L626 HydrophobicContact CB-CD1 4.37Å; H499-L626 HydrophobicContact CB-CD2 3.96Å
500	V	86.3	Confident	86.7	Confident	80 Å²	80	83.3 Å²	83.3	49%	0.485	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	121	179.2	177.7	0	0	0	0	109.5	L626 A627	V500-L626 CarbonylContact O-C 3.54Å; V500-L626 WeakPolarHBondContact O-CA 3.39Å; V500-A627 HydrophobicContact CB-CB 3.81Å; V500-A627 HydrophobicContact CG1-CB 4.14Å; V500-A627 PolarHBondContact O-N 3.49Å
501	Q	87.3	Confident	87	Confident	20 Å²	20	78.3 Å²	78.3	9%	0.093	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-92.7	124.1	177.9	-176.7	-179	-39	0	0	109.8	H499 R503 I505 N535 S538 L626	H499-Q501 PolarHBondContact O-N 3.15Å; Q501-R503 WeakPolarHBondContact CG-O 3.29Å; Q501-R503 PolarHBondContact NE2-O 2.81Å; Q501-I505 HydrophobicContact CG-CD1 3.85Å; Q501-I505 HydrophobicContact CG-CG1 4.13Å; Q501-N535 PolarHBondContact NE2-OD1 3.46Å; Q501-S538 PolarHBondContact N-O 3.47Å; Q501-L626 HydrophobicContact CB-CD2 4.28Å
502	R	86.8	Confident	87.4	Confident	163 Å²	163	70 Å²	70	62%	0.615	33%	0.331	S	S	*	.			trans	-100.5	-28.7	179.9	-68.6	-175.5	172.5	-173	-1.1	113.3	E625 A627	R502-E625 PolarHBondContact N-O 2.74Å; R502-A627 HydrophobicContact CG-CB 4.36Å
503	R	87.3	Confident	87.5	Confident	158 Å²	158	68.1 Å²	68.1	60%	0.596	32%	0.322	S	S	*	.	S	Bend	trans	-137.8	162.9	179.9	-60.4	-179.5	171.2	-178.4	-5.9	110.3	Q501 I505 E625	Q501-R503 WeakPolarHBondContact CG-O 3.29Å; Q501-R503 PolarHBondContact NE2-O 2.81Å; R503-I505 PolarHBondContact O-N 2.86Å; R503-E625 HydrophobicContact CB-CG 4.46Å; R503-E625 PolarHBondContact N-O 3.3Å
504	A	87	Confident	87.4	Confident	71 Å²	71	66.6 Å²	66.6	59%	0.587	32%	0.317	S	S	*	.			trans	-61.1	124.7	173.6	0	0	0	0	0	110.1	N535	A504-N535 WeakPolarHBondContact CA-OD1 3.36Å
505	I	87.6	Confident	87.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	32%	0.317	C	S	.	.			trans	-88.8	136.9	-179.6	-64.8	170.6	0	0	0	108.5	Q501 R503 F507 F534 N535 L540 R620 E625 L626	Q501-I505 HydrophobicContact CG-CD1 3.85Å; Q501-I505 HydrophobicContact CG-CG1 4.13Å; R503-I505 PolarHBondContact O-N 2.86Å; I505-F507 HydrophobicContact CG2-CE2 3.94Å; I505-F507 HydrophobicContact CG2-CZ 3.96Å; I505-F534 HydrophobicContact CB-CD2 4.15Å; I505-F534 HydrophobicContact CG2-CD2 4.5Å; I505-N535 PolarHBondContact N-OD1 2.98Å; I505-N535 PolarHBondContact O-ND2 3.36Å; I505-L540 HydrophobicContact CD1-CB 4.02Å; I505-L540 HydrophobicContact CD1-CD1 3.4Å; I505-L540 VanDerWaalsContact CD1-CD1 3.4Å; I505-L540 HydrophobicContact CD1-CG 4.33Å; I505-R620 HydrophobicContact CG2-CG 3.96Å; I505-E625 HydrophobicContact CG1-CB 3.97Å; I505-L626 HydrophobicContact CD1-CD2 3.65Å; I505-L626 HydrophobicContact CD1-CG 4.09Å
506	T	86.5	Confident	87.5	Confident	77 Å²	77	67.3 Å²	67.3	47%	0.472	32%	0.318	S	S	.	.			trans	-125.6	151.2	171.3	63.9	0	0	0	0	110.6	R620	T506-R620 PolarHBondContact O-NE 3.21Å; T506-R620 PolarHBondContact O-NH2 2.82Å
507	F	87.7	Confident	87.6	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.026	34%	0.337	C	S	.	.			trans	-110.4	132.8	177.4	-62.6	-87.9	0	0	0	109.6	W443 I505 E511 M512 L515 I532 F534 I616	W443-F507 AromaticContact CH2-CD2 3.98Å; W443-F507 HydrophobicContact CH2-CD2 3.98Å; W443-F507 HydrophobicContact CH2-CE2 4.34Å; W443-F507 HydrophobicContact CH2-CG 4.27Å; W443-F507 HydrophobicContact CZ3-CD2 4.34Å; W443-F507 HydrophobicContact CZ3-CE2 4.24Å; I505-F507 HydrophobicContact CG2-CE2 3.94Å; I505-F507 HydrophobicContact CG2-CZ 3.96Å; F507-E511 HydrophobicContact CB-CB 4.38Å; F507-E511 HydrophobicContact CD1-CB 4.31Å; F507-M512 HydrophobicContact CB-CG 3.68Å; F507-L515 HydrophobicContact CD1-CD1 3.73Å; F507-L515 HydrophobicContact CE1-CD1 3.76Å; F507-L515 HydrophobicContact CG-CD1 4.33Å; F507-L515 HydrophobicContact CZ-CD1 4.4Å; F507-I532 HydrophobicContact CZ-CD1 4.42Å; F507-F534 HydrophobicContact CD2-CE1 4.2Å; F507-F534 HydrophobicContact CD2-CE2 4.14Å; F507-F534 AromaticContact CD2-CZ 3.81Å; F507-F534 HydrophobicContact CD2-CZ 3.81Å; F507-F534 AromaticContact CE2-CD1 3.82Å; F507-F534 HydrophobicContact CE2-CD1 3.82Å; F507-F534 AromaticContact CE2-CD2 3.99Å; F507-F534 HydrophobicContact CE2-CD2 3.99Å; F507-F534 AromaticContact CE2-CE1 3.46Å; F507-F534 HydrophobicContact CE2-CE1 3.46Å; F507-F534 VanDerWaalsContact CE2-CE1 3.46Å; F507-F534 AromaticContact CE2-CE2 3.69Å; F507-F534 HydrophobicContact CE2-CE2 3.69Å; F507-F534 HydrophobicContact CE2-CG 4.09Å; F507-F534 AromaticContact CE2-CZ 3.42Å; F507-F534 HydrophobicContact CE2-CZ 3.42Å; F507-F534 VanDerWaalsContact CE2-CZ 3.42Å; F507-F534 HydrophobicContact CZ-CD1 4.35Å; F507-F534 HydrophobicContact CZ-CE1 4.31Å; F507-I616 HydrophobicContact CD1-CG2 4.26Å; F507-I616 HydrophobicContact CE1-CG2 3.63Å
508	S	86.9	Confident	87.9	Confident	53 Å²	53	69 Å²	69	37%	0.371	33%	0.327	S	S	.	.			trans	-68.1	162.3	169.3	70.4	0	0	0	0	110.3	Q510 E511 M512	S508-Q510 VanDerWaalsContact C-N 3.26Å; S508-Q510 PolarHBondContact O-N 2.77Å; S508-E511 WeakPolarHBondContact CB-OE2 3.38Å; S508-E511 PolarHBondContact N-OE2 3.41Å; S508-E511 PolarHBondContact O-N 2.88Å; S508-E511 VanDerWaalsContact O-N 3.15Å; S508-E511 VanDerWaalsContact OG-CD 3.28Å; S508-E511 VanDerWaalsContact OG-CG 3.23Å; S508-E511 WeakPolarHBondContact OG-CG 3.32Å; S508-E511 PolarHBondContact OG-N 2.77Å; S508-E511 PolarHBondContact OG-OE2 3.23Å; S508-M512 WeakPolarHBondContact O-CG 3.45Å; S508-M512 PolarHBondContact O-N 2.97Å
509	R	84.4	Confident	88.1	Confident	188 Å²	188	66.9 Å²	66.9	71%	0.709	32%	0.321	S	S	*	.	H	α-helix	trans	-56.5	-41.6	178	-178.2	179	167	172.3	0.5	112.4	E511 M512 E513	R509-E511 VanDerWaalsContact C-N 3.33Å; R509-E511 PolarHBondContact O-N 3.41Å; R509-M512 PolarHBondContact O-N 3.14Å; R509-E513 WeakPolarHBondContact CG-OE1 3.49Å; R509-E513 IonicContact CZ-OE1 2.79Å; R509-E513 IonicContact NE-OE1 3.58Å; R509-E513 PolarHBondContact NE-OE1 2.73Å; R509-E513 IonicContact NH2-OE1 3.13Å; R509-E513 WeakPolarHBondContact O-CG 3.43Å; R509-E513 PolarHBondContact O-N 3.48Å
510	Q	85.6	Confident	88.4	Confident	155 Å²	155	72.8 Å²	72.8	72%	0.724	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-38.9	178.8	-69.2	178.5	-8.7	0	0	111.8	S508 E513 M514	S508-Q510 VanDerWaalsContact C-N 3.26Å; S508-Q510 PolarHBondContact O-N 2.77Å; Q510-E513 PolarHBondContact O-N 2.85Å; Q510-M514 WeakPolarHBondContact O-CB 3.3Å; Q510-M514 PolarHBondContact O-N 2.94Å
511	E	89.2	Confident	88.7	Confident	18 Å²	18	69.9 Å²	69.9	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-72.9	-36.9	178.9	-65.7	167.6	120.7	0	0	112.3	F507 S508 R509 E513 M514 L515 I616 R620	F507-E511 HydrophobicContact CB-CB 4.38Å; F507-E511 HydrophobicContact CD1-CB 4.31Å; S508-E511 WeakPolarHBondContact CB-OE2 3.38Å; S508-E511 PolarHBondContact N-OE2 3.41Å; S508-E511 PolarHBondContact O-N 2.88Å; S508-E511 VanDerWaalsContact O-N 3.15Å; S508-E511 VanDerWaalsContact OG-CD 3.28Å; S508-E511 VanDerWaalsContact OG-CG 3.23Å; S508-E511 WeakPolarHBondContact OG-CG 3.32Å; S508-E511 PolarHBondContact OG-N 2.77Å; S508-E511 PolarHBondContact OG-OE2 3.23Å; R509-E511 VanDerWaalsContact C-N 3.33Å; R509-E511 PolarHBondContact O-N 3.41Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-M514 PolarHBondContact O-N 3.01Å; E511-L515 WeakPolarHBondContact O-CB 3.34Å; E511-L515 VanDerWaalsContact O-CG 3.3Å; E511-L515 WeakPolarHBondContact O-CG 3.44Å; E511-L515 PolarHBondContact O-N 3.11Å; E511-I616 HydrophobicContact CB-CD1 4.45Å; E511-I616 HydrophobicContact CG-CG1 4.37Å; E511-R620 IonicContact OE1-CZ 2.76Å; E511-R620 IonicContact OE1-NH1 3.65Å; E511-R620 PolarHBondContact OE1-NH1 2.94Å; E511-R620 IonicContact OE1-NH2 3.66Å; E511-R620 PolarHBondContact OE1-NH2 2.64Å; E511-R620 IonicContact OE2-CZ 3.36Å; E511-R620 IonicContact OE2-NH1 3.43Å; E511-R620 IonicContact OE2-NH2 3.68Å; E511-R620 PolarHBondContact OE2-NH2 2.75Å
512	M	88.7	Confident	88.8	Confident	32 Å²	32	73.5 Å²	73.5	16%	0.158	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-39.9	173.1	-67.2	-172.7	-77.4	0	0	111.5	I438 M441 W443 F507 S508 R509 L515 N516	I438-M512 HydrophobicContact CG1-SD 4.22Å; M441-M512 HydrophobicContact CE-SD 4.14Å; W443-M512 HydrophobicContact CH2-CG 4.43Å; W443-M512 HydrophobicContact CZ2-CB 4.26Å; W443-M512 HydrophobicContact CZ2-CG 3.95Å; F507-M512 HydrophobicContact CB-CG 3.68Å; S508-M512 WeakPolarHBondContact O-CG 3.45Å; S508-M512 PolarHBondContact O-N 2.97Å; R509-M512 PolarHBondContact O-N 3.14Å; M512-L515 PolarHBondContact O-N 3.14Å; M512-N516 WeakPolarHBondContact O-CB 3.33Å; M512-N516 PolarHBondContact O-N 3.32Å; M512-N516 PolarHBondContact O-ND2 3.23Å
513	E	87	Confident	89.2	Confident	86 Å²	86	68.5 Å²	68.5	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-42.7	173.4	-73.6	170	-170.7	0	0	111.2	R509 Q510 E511 N516 Q517	R509-E513 WeakPolarHBondContact CG-OE1 3.49Å; R509-E513 IonicContact CZ-OE1 2.79Å; R509-E513 IonicContact NE-OE1 3.58Å; R509-E513 PolarHBondContact NE-OE1 2.73Å; R509-E513 IonicContact NH2-OE1 3.13Å; R509-E513 WeakPolarHBondContact O-CG 3.43Å; R509-E513 PolarHBondContact O-N 3.48Å; Q510-E513 PolarHBondContact O-N 2.85Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E513-N516 PolarHBondContact O-N 2.88Å; E513-Q517 WeakPolarHBondContact O-CG 3.46Å; E513-Q517 PolarHBondContact O-N 3.36Å
514	M	88.4	Confident	89.4	Confident	57 Å²	57	65.6 Å²	65.6	28%	0.281	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175.5	-174.2	-176.8	179.2	0	0	112.9	Q510 E511 N516 Q517 L518 G612 I616	Q510-M514 WeakPolarHBondContact O-CB 3.3Å; Q510-M514 PolarHBondContact O-N 2.94Å; E511-M514 PolarHBondContact O-N 3.01Å; M514-N516 VanDerWaalsContact C-N 3.34Å; M514-Q517 WeakPolarHBondContact O-CB 3.1Å; M514-Q517 PolarHBondContact O-N 3.17Å; M514-L518 PolarHBondContact O-N 3.06Å; M514-G612 WeakPolarHBondContact CE-O 3Å; M514-I616 HydrophobicContact SD-CD1 4.41Å
515	L	92.5	Very high	89.8	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-35.9	177.5	-72.1	171.9	0	0	0	112	W443 F507 E511 M512 L518 K519 F529 I532 I616	W443-L515 HydrophobicContact CD2-CB 3.82Å; W443-L515 HydrophobicContact CD2-CD1 4.1Å; W443-L515 HydrophobicContact CE3-CB 4.41Å; W443-L515 HydrophobicContact CE3-CD1 3.88Å; W443-L515 HydrophobicContact CG-CB 3.98Å; W443-L515 HydrophobicContact CH2-CD1 3.74Å; W443-L515 HydrophobicContact CZ2-CB 4.29Å; W443-L515 HydrophobicContact CZ2-CD1 3.96Å; W443-L515 HydrophobicContact CZ3-CD1 3.68Å; F507-L515 HydrophobicContact CD1-CD1 3.73Å; F507-L515 HydrophobicContact CE1-CD1 3.76Å; F507-L515 HydrophobicContact CG-CD1 4.33Å; F507-L515 HydrophobicContact CZ-CD1 4.4Å; E511-L515 WeakPolarHBondContact O-CB 3.34Å; E511-L515 VanDerWaalsContact O-CG 3.3Å; E511-L515 WeakPolarHBondContact O-CG 3.44Å; E511-L515 PolarHBondContact O-N 3.11Å; M512-L515 PolarHBondContact O-N 3.14Å; L515-L518 PolarHBondContact O-N 3.02Å; L515-K519 WeakPolarHBondContact O-CB 3.33Å; L515-K519 PolarHBondContact O-N 3.4Å; L515-F529 HydrophobicContact CD2-CE1 4.18Å; L515-F529 HydrophobicContact CD2-CZ 4.25Å; L515-I532 HydrophobicContact CD1-CD1 4.17Å; L515-I532 HydrophobicContact CD2-CD1 3.77Å; L515-I616 HydrophobicContact CD1-CD1 4.29Å; L515-I616 HydrophobicContact CD2-CD1 3.79Å; L515-I616 HydrophobicContact CG-CD1 3.88Å
516	N	90.5	Very high	90.2	Very high	40 Å²	40	62.6 Å²	62.6	21%	0.214	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-45.8	171	-83.4	-27.9	0	0	0	111.2	W443 M512 E513 M514 L518 K519 Y520	W443-N516 PolarHBondContact NE1-OD1 2.71Å; M512-N516 WeakPolarHBondContact O-CB 3.33Å; M512-N516 PolarHBondContact O-N 3.32Å; M512-N516 PolarHBondContact O-ND2 3.23Å; E513-N516 PolarHBondContact O-N 2.88Å; M514-N516 VanDerWaalsContact C-N 3.34Å; N516-L518 VanDerWaalsContact C-N 3.34Å; N516-L518 PolarHBondContact O-N 2.9Å; N516-K519 PolarHBondContact O-N 3.14Å; N516-Y520 WeakPolarHBondContact O-CD2 3.31Å; N516-Y520 PolarHBondContact O-N 2.89Å
517	Q	89.7	Confident	90.6	Very high	89 Å²	89	59.1 Å²	59.1	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-46.2	175.5	-70.7	170	5.1	0	0	111.2	E513 M514 K519 Y520 M521 S586	E513-Q517 WeakPolarHBondContact O-CG 3.46Å; E513-Q517 PolarHBondContact O-N 3.36Å; M514-Q517 WeakPolarHBondContact O-CB 3.1Å; M514-Q517 PolarHBondContact O-N 3.17Å; Q517-K519 VanDerWaalsContact C-N 3.31Å; Q517-K519 PolarHBondContact O-N 2.52Å; Q517-Y520 PolarHBondContact O-N 3.36Å; Q517-M521 WeakPolarHBondContact O-CG 3.48Å; Q517-M521 PolarHBondContact O-N 3.42Å; Q517-M521 VanDerWaalsContact O-N 3.11Å; Q517-S586 PolarHBondContact OE1-OG 3Å
518	L	92.7	Very high	91	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-39.5	178.2	-175.1	64.7	0	0	0	112.4	M514 L515 N516 Y520 M521 F529 W544 I587 F611 I613	M514-L518 PolarHBondContact O-N 3.06Å; L515-L518 PolarHBondContact O-N 3.02Å; N516-L518 VanDerWaalsContact C-N 3.34Å; N516-L518 PolarHBondContact O-N 2.9Å; L518-Y520 VanDerWaalsContact C-N 3.32Å; L518-Y520 PolarHBondContact O-N 3.1Å; L518-M521 HydrophobicContact CD1-SD 4.36Å; L518-M521 PolarHBondContact O-N 3Å; L518-F529 HydrophobicContact CB-CD1 4.16Å; L518-F529 HydrophobicContact CD1-CB 4.35Å; L518-F529 HydrophobicContact CD2-CB 4.22Å; L518-F529 HydrophobicContact CD2-CD1 3.71Å; L518-F529 HydrophobicContact CD2-CD2 3.99Å; L518-F529 HydrophobicContact CD2-CE1 3.93Å; L518-F529 HydrophobicContact CD2-CE2 4.24Å; L518-F529 HydrophobicContact CD2-CG 3.7Å; L518-F529 HydrophobicContact CD2-CZ 4.16Å; L518-F529 HydrophobicContact CG-CB 3.73Å; L518-F529 HydrophobicContact CG-CD1 3.67Å; L518-F529 HydrophobicContact CG-CD2 4.43Å; L518-F529 HydrophobicContact CG-CE1 4.33Å; L518-F529 HydrophobicContact CG-CG 3.69Å; L518-W544 HydrophobicContact CD1-CH2 4.08Å; L518-W544 HydrophobicContact CD2-CH2 4.4Å; L518-I587 HydrophobicContact CB-CD1 4.44Å; L518-I587 HydrophobicContact CD1-CD1 3.56Å; L518-F611 HydrophobicContact CD1-CD2 3.92Å; L518-F611 HydrophobicContact CD1-CE2 3.33Å; L518-F611 HydrophobicContact CD1-CZ 3.89Å; L518-I613 HydrophobicContact CD2-CD1 3.71Å; L518-I613 HydrophobicContact CD2-CG1 3.51Å
519	K	93.3	Very high	91.3	Very high	63 Å²	63	58.6 Å²	58.6	27%	0.274	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-34.2	177.4	179.2	57.2	-178.6	179.9	0	113.5	P442 W443 L515 N516 Q517 F529 T530	P442-K519 HydrophobicContact CB-CG 4.28Å; P442-K519 HydrophobicContact CG-CG 4.3Å; P442-K519 VanDerWaalsContact O-CE 3.32Å; P442-K519 WeakPolarHBondContact O-CE 3.47Å; W443-K519 HydrophobicContact CB-CB 4.09Å; W443-K519 HydrophobicContact CB-CD 4.37Å; W443-K519 HydrophobicContact CB-CG 4.24Å; L515-K519 WeakPolarHBondContact O-CB 3.33Å; L515-K519 PolarHBondContact O-N 3.4Å; N516-K519 PolarHBondContact O-N 3.14Å; Q517-K519 VanDerWaalsContact C-N 3.31Å; Q517-K519 PolarHBondContact O-N 2.52Å; K519-F529 HydrophobicContact CB-CD1 4.4Å; K519-F529 WeakPolarHBondContact CD-O 3.49Å; K519-T530 PolarHBondContact NZ-O 3.09Å
520	Y	91.9	Very high	91.8	Very high	167 Å²	167	50.5 Å²	50.5	66%	0.655	25%	0.254	S	S	*	.	H	α-helix	trans	-96.2	-1.5	-177.3	-69.1	-65.2	0	0	0	113.9	P442 N516 Q517 L518 S522	P442-Y520 HydrophobicContact CG-CE2 4.06Å; N516-Y520 WeakPolarHBondContact O-CD2 3.31Å; N516-Y520 PolarHBondContact O-N 2.89Å; Q517-Y520 PolarHBondContact O-N 3.36Å; L518-Y520 VanDerWaalsContact C-N 3.32Å; L518-Y520 PolarHBondContact O-N 3.1Å; Y520-S522 PolarHBondContact O-N 3.04Å
521	M	91.4	Very high	92.2	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.089	22%	0.22	C	C	.	.			trans	-65.7	126.9	173.3	-79.9	176.5	77.7	0	0	110.7	Q517 L518 Y581 I587 F611	Q517-M521 WeakPolarHBondContact O-CG 3.48Å; Q517-M521 PolarHBondContact O-N 3.42Å; Q517-M521 VanDerWaalsContact O-N 3.11Å; L518-M521 HydrophobicContact CD1-SD 4.36Å; L518-M521 PolarHBondContact O-N 3Å; M521-Y581 HydrophobicContact CB-CE1 4.39Å; M521-Y581 HydrophobicContact CE-CD1 3.87Å; M521-Y581 HydrophobicContact CE-CE1 3.44Å; M521-Y581 VanDerWaalsContact CE-CE1 3.44Å; M521-Y581 HydrophobicContact CG-CE1 4.4Å; M521-I587 HydrophobicContact CE-CD1 4.18Å; M521-I587 HydrophobicContact SD-CD1 3.34Å; M521-I587 WeakPolarHBondContact SD-CD1 3.08Å; M521-I587 HydrophobicContact SD-CG1 4.01Å; M521-F611 HydrophobicContact CE-CE2 3.9Å; M521-F611 HydrophobicContact CE-CZ 4.44Å; M521-F611 HydrophobicContact SD-CE2 4.05Å
522	S	89.9	Confident	92.4	Very high	96 Å²	96	42.3 Å²	42.3	67%	0.671	22%	0.216	S	C	*	.			trans	-139.6	123	179.9	-177.1	0	0	0	0	109.7	Y520 Y581	Y520-S522 PolarHBondContact O-N 3.04Å; S522-Y581 PolarHBondContact N-OH 3.19Å; S522-Y581 PolarHBondContact O-OH 2.83Å
523	H	94.5	Very high	92.6	Very high	58 Å²	58	40.9 Å²	40.9	27%	0.269	21%	0.209	S	C	.	.			trans	-161.4	148	176.9	179.7	-97.2	0	0	0	109	N525 I526 Y581	H523-N525 PolarHBondContact CE1-OD1 3.05Å; H523-N525 PolarHBondContact ND1-N 3.1Å; H523-N525 PolarHBondContact O-N 3.38Å; H523-N525 VanDerWaalsContact O-N 3.1Å; H523-I526 HydrophobicContact CB-CB 4.04Å; H523-I526 HydrophobicContact CB-CG1 3.71Å; H523-I526 PolarHBondContact O-N 2.8Å; H523-Y581 HydrophobicContact CB-CD1 3.9Å; H523-Y581 HydrophobicContact CB-CD2 3.98Å; H523-Y581 HydrophobicContact CB-CE1 3.89Å; H523-Y581 HydrophobicContact CB-CE2 4Å; H523-Y581 HydrophobicContact CB-CG 3.92Å; H523-Y581 AromaticContact CD2-CD2 3.71Å; H523-Y581 AromaticContact CG-CD2 3.91Å; H523-Y581 AromaticContact CG-CG 3.84Å
524	T	92.5	Very high	92.9	Very high	97 Å²	97	36.9 Å²	36.9	60%	0.595	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.5	-176.3	-49.7	0	0	0	0	113.1	V605 K607	T524-V605 HydrophobicContact CG2-CG1 4Å; T524-V605 WeakPolarHBondContact O-CG1 3.44Å; T524-K607 WeakPolarHBondContact O-CE 3.43Å
525	N	95.9	Very high	92.9	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.032	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	21.5	-179	-54	113	0	0	0	114.5	H523 H574 V606 K607 L608	H523-N525 PolarHBondContact CE1-OD1 3.05Å; H523-N525 PolarHBondContact ND1-N 3.1Å; H523-N525 PolarHBondContact O-N 3.38Å; H523-N525 VanDerWaalsContact O-N 3.1Å; N525-H574 VanDerWaalsContact CB-O 3.28Å; N525-H574 WeakPolarHBondContact CB-O 3.47Å; N525-H574 WeakPolarHBondContact ND2-CB 3.28Å; N525-H574 PolarHBondContact ND2-CD2 2.75Å; N525-H574 VanDerWaalsContact ND2-CD2 3.29Å; N525-V606 WeakPolarHBondContact CA-O 3.04Å; N525-V606 WeakPolarHBondContact CB-O 3.28Å; N525-V606 PolarHBondContact ND2-O 2.69Å; N525-K607 WeakPolarHBondContact O-CA 2.99Å; N525-L608 PolarHBondContact O-N 3.4Å
526	I	96	Very high	92.5	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-120.1	133	174.6	-63.9	-62.6	0	0	0	108.7	H523 P528 Y581 I582 L608 F611	H523-I526 HydrophobicContact CB-CB 4.04Å; H523-I526 HydrophobicContact CB-CG1 3.71Å; H523-I526 PolarHBondContact O-N 2.8Å; I526-P528 VanDerWaalsContact O-CD 3.29Å; I526-P528 WeakPolarHBondContact O-CD 3.23Å; I526-Y581 HydrophobicContact CD1-CD1 4.13Å; I526-Y581 HydrophobicContact CG1-CD1 3.61Å; I526-Y581 HydrophobicContact CG1-CE1 4.11Å; I526-Y581 HydrophobicContact CG1-CG 4.39Å; I526-I582 HydrophobicContact CD1-CD1 3.81Å; I526-I582 HydrophobicContact CD1-CG1 3.7Å; I526-L608 HydrophobicContact CD1-CB 4.25Å; I526-F611 HydrophobicContact CD1-CE1 4.4Å; I526-F611 HydrophobicContact CD1-CZ 4.47Å; I526-F611 HydrophobicContact CG2-CE1 3.81Å; I526-F611 HydrophobicContact CG2-CZ 3.46Å; I526-F611 VanDerWaalsContact CG2-CZ 3.46Å
527	N	94.8	Very high	92	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-77.8	119.8	176.6	-165.7	22.5	0	0	0	108.4	F529 W544 Q545 V599 K607 L608 T609	N527-F529 PolarHBondContact O-N 3.2Å; N527-W544 HydrophobicContact CB-CE3 4.3Å; N527-W544 WeakPolarHBondContact ND2-CB 3.15Å; N527-W544 VanDerWaalsContact O-CE3 3.25Å; N527-W544 VanDerWaalsContact O-CZ3 3.27Å; N527-W544 WeakPolarHBondContact O-CZ3 3.37Å; N527-Q545 PolarHBondContact ND2-O 3.47Å; N527-Q545 PolarHBondContact OD1-O 3.07Å; N527-V599 HydrophobicContact CB-CG2 4.11Å; N527-K607 HydrophobicContact CB-CB 4.02Å; N527-L608 VanDerWaalsContact CB-O 3.29Å; N527-L608 WeakPolarHBondContact CB-O 3.45Å; N527-L608 PolarHBondContact N-O 3.47Å; N527-T609 PolarHBondContact ND2-OG1 3.22Å
528	P	94.3	Very high	91.7	Very high	44 Å²	44	40.2 Å²	40.2	29%	0.286	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-60.8	130.3	-177.7	-29.2	40.1	0	0	0	112.2	I526 T530 Q545	I526-P528 VanDerWaalsContact O-CD 3.29Å; I526-P528 WeakPolarHBondContact O-CD 3.23Å; P528-T530 PolarHBondContact O-N 3.43Å; P528-Q545 HydrophobicContact CB-CB 4.36Å; P528-Q545 VanDerWaalsContact CD-OE1 3.26Å; P528-Q545 PolarHBondContact O-N 2.8Å
529	F	95.2	Very high	91.5	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.022	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.3	174.8	178.2	-119.7	0	0	0	109.8	W443 L515 L518 K519 N527 G531 I532 V542 M543 W544 I613	W443-F529 HydrophobicContact CB-CE1 3.99Å; L515-F529 HydrophobicContact CD2-CE1 4.18Å; L515-F529 HydrophobicContact CD2-CZ 4.25Å; L518-F529 HydrophobicContact CB-CD1 4.16Å; L518-F529 HydrophobicContact CD1-CB 4.35Å; L518-F529 HydrophobicContact CD2-CB 4.22Å; L518-F529 HydrophobicContact CD2-CD1 3.71Å; L518-F529 HydrophobicContact CD2-CD2 3.99Å; L518-F529 HydrophobicContact CD2-CE1 3.93Å; L518-F529 HydrophobicContact CD2-CE2 4.24Å; L518-F529 HydrophobicContact CD2-CG 3.7Å; L518-F529 HydrophobicContact CD2-CZ 4.16Å; L518-F529 HydrophobicContact CG-CB 3.73Å; L518-F529 HydrophobicContact CG-CD1 3.67Å; L518-F529 HydrophobicContact CG-CD2 4.43Å; L518-F529 HydrophobicContact CG-CE1 4.33Å; L518-F529 HydrophobicContact CG-CG 3.69Å; K519-F529 HydrophobicContact CB-CD1 4.4Å; K519-F529 WeakPolarHBondContact CD-O 3.49Å; N527-F529 PolarHBondContact O-N 3.2Å; F529-G531 WeakPolarHBondContact CE2-O 3.06Å; F529-I532 HydrophobicContact CE1-CG1 4.47Å; F529-I532 HydrophobicContact CE2-CG1 4.28Å; F529-I532 HydrophobicContact CZ-CD1 4.08Å; F529-I532 HydrophobicContact CZ-CG1 3.53Å; F529-V542 HydrophobicContact CE2-CG1 4.09Å; F529-M543 WeakPolarHBondContact CD2-O 3.37Å; F529-W544 HydrophobicContact CB-CE3 4.12Å; F529-W544 HydrophobicContact CB-CH2 4.43Å; F529-W544 HydrophobicContact CB-CZ3 3.96Å; F529-W544 HydrophobicContact CD2-CD2 4.13Å; F529-W544 HydrophobicContact CD2-CE3 4.31Å; F529-W544 HydrophobicContact CD2-CH2 4.38Å; F529-W544 HydrophobicContact CD2-CZ2 4.19Å; F529-W544 HydrophobicContact CD2-CZ3 4.45Å; F529-I613 HydrophobicContact CD2-CD1 3.79Å; F529-I613 HydrophobicContact CE2-CD1 3.24Å; F529-I613 HydrophobicContact CE2-CG1 4.48Å; F529-I613 HydrophobicContact CZ-CD1 3.76Å
530	T	93.4	Very high	91.4	Very high	17 Å²	17	39.9 Å²	39.9	10%	0.104	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-47.5	-178.7	-59.9	0	0	0	0	110.6	V494 K519 P528 M543	V494-T530 HydrophobicContact CG1-CG2 3.92Å; K519-T530 PolarHBondContact NZ-O 3.09Å; P528-T530 PolarHBondContact O-N 3.43Å; T530-M543 WeakPolarHBondContact CB-O 3.18Å; T530-M543 HydrophobicContact CG2-CB 4.45Å; T530-M543 PolarHBondContact N-O 3.19Å
531	G	94	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155	-167.9	179.7	0	0	0	0	0	114.1	W443 F529 M543	W443-G531 CarbonylContact O-C 3.55Å; W443-G531 WeakPolarHBondContact O-CA 2.94Å; F529-G531 WeakPolarHBondContact CE2-O 3.06Å; G531-M543 PolarHBondContact N-O 3.28Å; G531-M543 PolarHBondContact O-N 3.17Å
532	I	94.2	Very high	91.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.7	177.9	-46.2	-173.1	0	0	0	109.2	W443 V445 F507 L515 F529 F534 L540 I541	W443-I532 PolarHBondContact O-N 3.43Å; V445-I532 PolarHBondContact N-O 3.03Å; V445-I532 VanDerWaalsContact N-O 3.08Å; F507-I532 HydrophobicContact CZ-CD1 4.42Å; L515-I532 HydrophobicContact CD1-CD1 4.17Å; L515-I532 HydrophobicContact CD2-CD1 3.77Å; F529-I532 HydrophobicContact CE1-CG1 4.47Å; F529-I532 HydrophobicContact CE2-CG1 4.28Å; F529-I532 HydrophobicContact CZ-CD1 4.08Å; F529-I532 HydrophobicContact CZ-CG1 3.53Å; I532-F534 HydrophobicContact CB-CD1 4.44Å; I532-F534 HydrophobicContact CG2-CD1 4.09Å; I532-L540 HydrophobicContact CG2-CD1 4.06Å; I532-L540 HydrophobicContact CG2-CD2 4.3Å; I532-L540 HydrophobicContact CG2-CG 3.9Å; I532-I541 CarbonylContact C-O 3.59Å; I532-I541 VanDerWaalsContact CA-O 3.3Å; I532-I541 WeakPolarHBondContact CA-O 3.41Å
533	C	92.8	Very high	91.7	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.02	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132	161.1	-177.3	0	0	0	0	109.9	V445 I450 L540 I541 M543	V445-C533 WeakPolarHBondContact O-CB 3.46Å; V445-C533 PolarHBondContact O-SG 2.93Å; I450-C533 HydrophobicContact CD1-CB 3.65Å; C533-L540 CarbonylContact O-C 3.55Å; C533-L540 WeakPolarHBondContact O-CA 3.48Å; C533-I541 HydrophobicContact CB-CB 4.09Å; C533-I541 PolarHBondContact N-O 3.38Å; C533-I541 PolarHBondContact O-N 3.13Å; C533-M543 HydrophobicContact CB-CE 4Å
534	F	92.4	Very high	91.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	15%	0.15	C	C	.	.			trans	-152.4	168.9	179.8	63.2	-81.7	0	0	0	109.4	I438 W443 R444 I505 F507 I532 Q536 L540	I438-F534 HydrophobicContact CG2-CZ 3.85Å; W443-F534 AromaticContact CZ3-CE1 3.91Å; W443-F534 HydrophobicContact CZ3-CE1 3.91Å; R444-F534 VanDerWaalsContact CZ-O 3.24Å; R444-F534 PolarHBondContact NH1-O 3.31Å; R444-F534 PolarHBondContact NH2-O 2.89Å; I505-F534 HydrophobicContact CB-CD2 4.15Å; I505-F534 HydrophobicContact CG2-CD2 4.5Å; F507-F534 HydrophobicContact CD2-CE1 4.2Å; F507-F534 HydrophobicContact CD2-CE2 4.14Å; F507-F534 AromaticContact CD2-CZ 3.81Å; F507-F534 HydrophobicContact CD2-CZ 3.81Å; F507-F534 AromaticContact CE2-CD1 3.82Å; F507-F534 HydrophobicContact CE2-CD1 3.82Å; F507-F534 AromaticContact CE2-CD2 3.99Å; F507-F534 HydrophobicContact CE2-CD2 3.99Å; F507-F534 AromaticContact CE2-CE1 3.46Å; F507-F534 HydrophobicContact CE2-CE1 3.46Å; F507-F534 VanDerWaalsContact CE2-CE1 3.46Å; F507-F534 AromaticContact CE2-CE2 3.69Å; F507-F534 HydrophobicContact CE2-CE2 3.69Å; F507-F534 HydrophobicContact CE2-CG 4.09Å; F507-F534 AromaticContact CE2-CZ 3.42Å; F507-F534 HydrophobicContact CE2-CZ 3.42Å; F507-F534 VanDerWaalsContact CE2-CZ 3.42Å; F507-F534 HydrophobicContact CZ-CD1 4.35Å; F507-F534 HydrophobicContact CZ-CE1 4.31Å; I532-F534 HydrophobicContact CB-CD1 4.44Å; I532-F534 HydrophobicContact CG2-CD1 4.09Å; F534-Q536 PolarHBondContact O-N 3.08Å; F534-L540 HydrophobicContact CB-CB 4.48Å; F534-L540 HydrophobicContact CB-CD1 4.15Å; F534-L540 HydrophobicContact CB-CG 4.36Å
535	N	89.2	Confident	91.6	Very high	51 Å²	51	23.4 Å²	23.4	27%	0.273	14%	0.14	S	C	.	.	S	Bend	trans	54.4	14.4	176.2	-63.1	-7.2	0	0	0	116.6	Q501 A504 I505	Q501-N535 PolarHBondContact NE2-OD1 3.46Å; A504-N535 WeakPolarHBondContact CA-OD1 3.36Å; I505-N535 PolarHBondContact N-OD1 2.98Å; I505-N535 PolarHBondContact O-ND2 3.36Å
536	Q	83.9	Confident	91.4	Very high	71 Å²	71	24.8 Å²	24.8	33%	0.332	15%	0.145	S	C	.	.	S	Bend	trans	-123.7	25.6	-179.7	-71.7	173.8	-8.6	0	0	111.2	R444 P446 L447 F534	R444-Q536 VanDerWaalsContact NH2-CD 3.26Å; R444-Q536 VanDerWaalsContact NH2-NE2 3.18Å; P446-Q536 VanDerWaalsContact CA-OE1 3.22Å; L447-Q536 HydrophobicContact CB-CB 3.94Å; L447-Q536 WeakPolarHBondContact CD2-O 3.37Å; F534-Q536 PolarHBondContact O-N 3.08Å
537	G	80.7	Confident	90.9	Very high	51 Å²	51	25.1 Å²	25.1	53%	0.526	15%	0.148	S	C	.	.	S	Bend	trans	166.9	-165.2	-176.2	0	0	0	0	0	109.9	E539	G537-E539 VanDerWaalsContact C-N 3.28Å; G537-E539 PolarHBondContact O-N 3.08Å
538	S	83.4	Confident	90.3	Very high	83 Å²	83	28.5 Å²	28.5	58%	0.58	17%	0.169	S	C	*	.	S	Bend	trans	-90.7	17	175.7	55.5	0	0	0	0	113.4	Q501	Q501-S538 PolarHBondContact N-O 3.47Å
539	E	87.8	Confident	89.7	Confident	58 Å²	58	29.5 Å²	29.5	27%	0.271	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.4	-172.2	-60.4	-175.6	157.9	0	0	112	R498 H499 G537 I541	R498-E539 WeakPolarHBondContact CD-OE2 3.24Å; R498-E539 IonicContact NH1-OE1 3.38Å; R498-E539 PolarHBondContact NH1-OE1 2.9Å; R498-E539 IonicContact NH1-OE2 3.21Å; R498-E539 PolarHBondContact NH1-OE2 3.09Å; H499-E539 CarbonylContact O-C 3.58Å; H499-E539 VanDerWaalsContact O-CA 3.26Å; H499-E539 WeakPolarHBondContact O-CA 3.35Å; G537-E539 VanDerWaalsContact C-N 3.28Å; G537-E539 PolarHBondContact O-N 3.08Å; E539-I541 HydrophobicContact CB-CG1 4.21Å
540	L	91.1	Very high	89.3	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.3	160.7	174.3	146.7	0	0	0	108.3	R498 H499 I505 I532 C533 F534 V542 L617 L626	R498-L540 CarbonylContact C-O 3.56Å; R498-L540 WeakPolarHBondContact CA-O 3.25Å; H499-L540 HydrophobicContact CB-CB 4.38Å; H499-L540 HydrophobicContact CB-CD2 4.26Å; H499-L540 PolarHBondContact N-O 2.81Å; H499-L540 PolarHBondContact O-N 2.9Å; I505-L540 HydrophobicContact CD1-CB 4.02Å; I505-L540 HydrophobicContact CD1-CD1 3.4Å; I505-L540 VanDerWaalsContact CD1-CD1 3.4Å; I505-L540 HydrophobicContact CD1-CG 4.33Å; I532-L540 HydrophobicContact CG2-CD1 4.06Å; I532-L540 HydrophobicContact CG2-CD2 4.3Å; I532-L540 HydrophobicContact CG2-CG 3.9Å; C533-L540 CarbonylContact O-C 3.55Å; C533-L540 WeakPolarHBondContact O-CA 3.48Å; F534-L540 HydrophobicContact CB-CB 4.48Å; F534-L540 HydrophobicContact CB-CD1 4.15Å; F534-L540 HydrophobicContact CB-CG 4.36Å; L540-V542 HydrophobicContact CD2-CG2 3.6Å; L540-L617 HydrophobicContact CD2-CD2 3.58Å; L540-L626 HydrophobicContact CB-CD2 3.72Å; L540-L626 HydrophobicContact CD1-CD2 4.41Å
541	I	92.5	Very high	89.3	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.7	-169.5	-55	-175.2	0	0	0	107.9	L447 I450 F452 V496 K497 R498 I532 C533 E539 M543	L447-I541 HydrophobicContact CD1-CD1 4.15Å; I450-I541 HydrophobicContact CD1-CD1 4.43Å; F452-I541 HydrophobicContact CZ-CD1 3.95Å; V496-I541 HydrophobicContact CG1-CG2 3.16Å; K497-I541 WeakPolarHBondContact O-CA 3.05Å; R498-I541 HydrophobicContact CG-CG1 4.43Å; I532-I541 CarbonylContact C-O 3.59Å; I532-I541 VanDerWaalsContact CA-O 3.3Å; I532-I541 WeakPolarHBondContact CA-O 3.41Å; C533-I541 HydrophobicContact CB-CB 4.09Å; C533-I541 PolarHBondContact N-O 3.38Å; C533-I541 PolarHBondContact O-N 3.13Å; E539-I541 HydrophobicContact CB-CG1 4.21Å; I541-M543 HydrophobicContact CG2-CG 4.01Å; I541-M543 HydrophobicContact CG2-SD 4.3Å
542	V	93.1	Very high	89.2	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.7	175.3	-177.2	0	0	0	0	108.7	K497 F529 L540 I613 L617	K497-V542 HydrophobicContact CB-CB 4.49Å; K497-V542 PolarHBondContact N-O 3.34Å; K497-V542 PolarHBondContact O-N 2.91Å; F529-V542 HydrophobicContact CE2-CG1 4.09Å; L540-V542 HydrophobicContact CD2-CG2 3.6Å; V542-I613 HydrophobicContact CG1-CD1 3.49Å; V542-I613 VanDerWaalsContact CG1-CD1 3.49Å; V542-I613 HydrophobicContact CG1-CG2 4.37Å; V542-I613 HydrophobicContact CG2-CG2 4.26Å; V542-L617 HydrophobicContact CG2-CD2 4.26Å
543	M	93.4	Very high	89.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.9	-173.1	-67.5	164.9	-75.3	0	0	112.3	V445 I450 V489 V494 S495 V496 F529 T530 G531 C533 I541	V445-M543 HydrophobicContact CB-CE 3.54Å; V445-M543 HydrophobicContact CG1-CE 3.88Å; V445-M543 HydrophobicContact CG1-SD 4.24Å; V445-M543 HydrophobicContact CG2-CE 3.73Å; I450-M543 HydrophobicContact CD1-CE 4.09Å; I450-M543 HydrophobicContact CD1-SD 3.75Å; I450-M543 HydrophobicContact CG1-SD 4.34Å; V489-M543 HydrophobicContact CG2-SD 3.82Å; V494-M543 HydrophobicContact CB-CB 4.45Å; V494-M543 HydrophobicContact CG2-CB 4.48Å; V494-M543 HydrophobicContact CG2-CG 4.24Å; V494-M543 HydrophobicContact CG2-SD 4.43Å; S495-M543 WeakPolarHBondContact O-CA 3.34Å; V496-M543 HydrophobicContact CG2-CG 4.22Å; F529-M543 WeakPolarHBondContact CD2-O 3.37Å; T530-M543 WeakPolarHBondContact CB-O 3.18Å; T530-M543 HydrophobicContact CG2-CB 4.45Å; T530-M543 PolarHBondContact N-O 3.19Å; G531-M543 PolarHBondContact N-O 3.28Å; G531-M543 PolarHBondContact O-N 3.17Å; C533-M543 HydrophobicContact CB-CE 4Å; I541-M543 HydrophobicContact CG2-CG 4.01Å; I541-M543 HydrophobicContact CG2-SD 4.3Å
544	W	94.1	Very high	88.9	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.9	171.4	-62.6	88.8	0	0	0	109.7	V494 S495 L518 N527 F529 F546 T609 D610 F611 I613	V494-W544 CarbonylContact C-O 3.58Å; V494-W544 WeakPolarHBondContact CA-O 3.2Å; V494-W544 WeakPolarHBondContact CB-O 3.31Å; S495-W544 PolarHBondContact N-O 3.48Å; S495-W544 PolarHBondContact O-N 2.64Å; L518-W544 HydrophobicContact CD1-CH2 4.08Å; L518-W544 HydrophobicContact CD2-CH2 4.4Å; N527-W544 HydrophobicContact CB-CE3 4.3Å; N527-W544 WeakPolarHBondContact ND2-CB 3.15Å; N527-W544 VanDerWaalsContact O-CE3 3.25Å; N527-W544 VanDerWaalsContact O-CZ3 3.27Å; N527-W544 WeakPolarHBondContact O-CZ3 3.37Å; F529-W544 HydrophobicContact CB-CE3 4.12Å; F529-W544 HydrophobicContact CB-CH2 4.43Å; F529-W544 HydrophobicContact CB-CZ3 3.96Å; F529-W544 HydrophobicContact CD2-CD2 4.13Å; F529-W544 HydrophobicContact CD2-CE3 4.31Å; F529-W544 HydrophobicContact CD2-CH2 4.38Å; F529-W544 HydrophobicContact CD2-CZ2 4.19Å; F529-W544 HydrophobicContact CD2-CZ3 4.45Å; W544-F546 PolarHBondContact O-N 3.03Å; W544-T609 VanDerWaalsContact CG-OG1 3.3Å; W544-D610 PolarHBondContact NE1-OD1 3.28Å; W544-D610 VanDerWaalsContact NE1-OD1 3.09Å; W544-F611 AromaticContact CH2-CD1 3.95Å; W544-F611 HydrophobicContact CH2-CD1 3.95Å; W544-F611 AromaticContact CH2-CE1 3.77Å; W544-F611 HydrophobicContact CH2-CE1 3.77Å; W544-F611 HydrophobicContact CH2-CE2 4.48Å; W544-F611 HydrophobicContact CH2-CG 4.35Å; W544-F611 HydrophobicContact CH2-CZ 4.04Å; W544-F611 HydrophobicContact CZ3-CD1 4.27Å; W544-F611 AromaticContact CZ3-CE1 3.67Å; W544-F611 HydrophobicContact CZ3-CE1 3.67Å; W544-F611 AromaticContact CZ3-CZ 3.95Å; W544-F611 HydrophobicContact CZ3-CZ 3.95Å; W544-I613 HydrophobicContact CZ2-CD1 3.65Å; W544-I613 HydrophobicContact CZ2-CG1 4.39Å
545	Q	92.4	Very high	88.6	Confident	80 Å²	80	36.5 Å²	36.5	37%	0.374	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.3	174.6	-176.9	175.3	1.8	0	0	110.4	N527 P528	N527-Q545 PolarHBondContact ND2-O 3.47Å; N527-Q545 PolarHBondContact OD1-O 3.07Å; P528-Q545 HydrophobicContact CB-CB 4.36Å; P528-Q545 VanDerWaalsContact CD-OE1 3.26Å; P528-Q545 PolarHBondContact O-N 2.8Å
546	F	90.6	Very high	88.7	Confident	35 Å²	35	34.4 Å²	34.4	15%	0.154	19%	0.186	C	C	.	.			trans	-70.2	141.4	176.5	173.6	-114.5	0	0	0	110.9	H486 K493 W544 T548 Y550	H486-F546 AromaticContact CD2-CD2 3.05Å; H486-F546 WeakPolarHBondContact CD2-CD2 3.36Å; H486-F546 AromaticContact CD2-CE2 3.14Å; H486-F546 WeakPolarHBondContact CD2-CE2 3.17Å; H486-F546 AromaticContact NE2-CD2 3.41Å; H486-F546 WeakPolarHBondContact NE2-CD2 3.41Å; H486-F546 AromaticContact NE2-CE2 3.08Å; H486-F546 WeakPolarHBondContact NE2-CE2 3.19Å; K493-F546 VanDerWaalsContact C-CB 3.47Å; K493-F546 HydrophobicContact CB-CB 3.99Å; K493-F546 HydrophobicContact CB-CD1 4.02Å; K493-F546 HydrophobicContact CB-CG 4.3Å; K493-F546 HydrophobicContact CD-CD1 3.49Å; K493-F546 VanDerWaalsContact CD-CD1 3.49Å; K493-F546 HydrophobicContact CD-CE1 3.72Å; K493-F546 HydrophobicContact CD-CG 4.06Å; K493-F546 HydrophobicContact CD-CZ 4.48Å; K493-F546 HydrophobicContact CG-CB 3.81Å; K493-F546 HydrophobicContact CG-CD1 3.63Å; K493-F546 HydrophobicContact CG-CE1 4.35Å; K493-F546 HydrophobicContact CG-CG 3.77Å; K493-F546 WeakPolarHBondContact O-CB 2.96Å; K493-F546 PolarHBondContact O-N 3.21Å; K493-F546 VanDerWaalsContact O-N 3.15Å; W544-F546 PolarHBondContact O-N 3.03Å; F546-T548 HydrophobicContact CE1-CG2 4.12Å; F546-Y550 HydrophobicContact CE2-CE1 4.46Å
547	T	86.5	Confident	88.8	Confident	11 Å²	11	32.8 Å²	32.8	7%	0.067	18%	0.178	C	C	.	.			trans	-120.4	132.2	174.5	59.7	0	0	0	0	109.3	R549 Y550 V599 V600	T547-R549 PolarHBondContact O-N 3.08Å; T547-Y550 PolarHBondContact O-N 3.33Å; T547-V599 HydrophobicContact CG2-CB 4.02Å; T547-V599 HydrophobicContact CG2-CG2 3.66Å; T547-V599 WeakPolarHBondContact OG1-CB 3.07Å; T547-V600 WeakPolarHBondContact CB-O 3.34Å
548	T	80.8	Confident	88.8	Confident	75 Å²	75	35.1 Å²	35.1	46%	0.46	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.1	-167.7	52.1	0	0	0	0	114.2	F546 S602	F546-T548 HydrophobicContact CE1-CG2 4.12Å; T548-S602 VanDerWaalsContact OG1-CA 3.3Å; T548-S602 WeakPolarHBondContact OG1-CA 3.38Å; T548-S602 PolarHBondContact OG1-N 2.67Å; T548-S602 VanDerWaalsContact OG1-N 3.12Å
549	R	81.8	Confident	88.5	Confident	65 Å²	65	36.7 Å²	36.7	25%	0.245	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	8.3	-175.3	-56.5	-174.2	-178	-82.9	-3.2	114	T547 L555 V600 D601 S602 W604	T547-R549 PolarHBondContact O-N 3.08Å; R549-L555 HydrophobicContact CB-CD1 4.32Å; R549-L555 HydrophobicContact CB-CD2 4.45Å; R549-L555 WeakPolarHBondContact O-CD2 3.44Å; R549-V600 HydrophobicContact CB-CB 4.03Å; R549-V600 HydrophobicContact CB-CG1 4.26Å; R549-V600 WeakPolarHBondContact CB-O 3Å; R549-V600 PolarHBondContact N-O 2.74Å; R549-V600 VanDerWaalsContact N-O 3.11Å; R549-D601 VanDerWaalsContact CD-O 3.26Å; R549-D601 WeakPolarHBondContact CD-O 3.42Å; R549-D601 PolarHBondContact NE-O 3.43Å; R549-S602 PolarHBondContact NE-O 2.74Å; R549-S602 PolarHBondContact NH2-O 2.75Å; R549-W604 VanDerWaalsContact CZ-CE2 3.43Å; R549-W604 VanDerWaalsContact NH1-CZ2 3.28Å
550	Y	88	Confident	88.2	Confident	92 Å²	92	41.2 Å²	41.2	36%	0.361	20%	0.199	S	C	.	.			trans	60.5	-154.7	-178.7	-50.6	-84.5	0	0	0	112.4	H486 F546 T547 D554 V599 V600	H486-Y550 AromaticContact CE1-CE1 3.72Å; H486-Y550 AromaticContact NE2-CE1 3.86Å; F546-Y550 HydrophobicContact CE2-CE1 4.46Å; T547-Y550 PolarHBondContact O-N 3.33Å; Y550-D554 WeakPolarHBondContact CB-OD2 3.2Å; Y550-V599 CarbonylContact O-C 3.52Å; Y550-V599 WeakPolarHBondContact O-CA 3.34Å; Y550-V600 PolarHBondContact O-N 2.68Å
551	S	92.1	Very high	87.6	Confident	5 Å²	5	43.8 Å²	43.8	4%	0.035	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-85.5	158.5	-178	76.5	0	0	0	0	113.1	E553 D554 L555 L595 S596 C598	S551-E553 PolarHBondContact O-N 3.5Å; S551-E553 PolarHBondContact OG-N 3Å; S551-D554 WeakPolarHBondContact CB-OD2 3.48Å; S551-D554 PolarHBondContact N-OD2 3.47Å; S551-D554 VanDerWaalsContact N-OD2 3.13Å; S551-D554 WeakPolarHBondContact O-CB 2.99Å; S551-D554 PolarHBondContact O-N 2.76Å; S551-D554 VanDerWaalsContact O-N 3.14Å; S551-D554 PolarHBondContact OG-N 3.44Å; S551-D554 VanDerWaalsContact OG-N 3.14Å; S551-D554 PolarHBondContact OG-OD2 2.8Å; S551-L555 WeakPolarHBondContact O-CG 2.99Å; S551-L555 PolarHBondContact O-N 2.79Å; S551-L595 WeakPolarHBondContact CB-O 3.43Å; S551-S596 WeakPolarHBondContact CB-O 2.86Å; S551-C598 CarbonylContact C-O 3.05Å; S551-C598 WeakPolarHBondContact CA-O 3.45Å
552	L	92.7	Very high	86.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-29	171	-77.5	177.1	0	0	0	112.1	L555 I556 F571 I575 L595 C598 V600 V606 I677	L552-L555 HydrophobicContact CD2-CD1 4.32Å; L552-L555 PolarHBondContact O-N 3.2Å; L552-I556 VanDerWaalsContact O-CB 3.27Å; L552-I556 WeakPolarHBondContact O-CB 3.34Å; L552-I556 VanDerWaalsContact O-CG1 3.29Å; L552-I556 WeakPolarHBondContact O-CG1 2.77Å; L552-I556 PolarHBondContact O-N 3.38Å; L552-F571 HydrophobicContact CD1-CB 4.19Å; L552-F571 HydrophobicContact CD1-CG 4.39Å; L552-F571 HydrophobicContact CD2-CD1 4.32Å; L552-F571 HydrophobicContact CD2-CD2 3.6Å; L552-F571 HydrophobicContact CD2-CE1 4.42Å; L552-F571 HydrophobicContact CD2-CE2 3.72Å; L552-F571 HydrophobicContact CD2-CG 3.92Å; L552-F571 HydrophobicContact CD2-CZ 4.15Å; L552-I575 HydrophobicContact CD1-CD1 3.93Å; L552-L595 HydrophobicContact CB-CB 4.26Å; L552-L595 HydrophobicContact CB-CD2 3.97Å; L552-L595 HydrophobicContact CD1-CD2 4.03Å; L552-L595 PolarHBondContact N-O 3.19Å; L552-C598 HydrophobicContact CB-CB 4.32Å; L552-C598 HydrophobicContact CD1-CB 3.84Å; L552-C598 HydrophobicContact CG-CB 4.22Å; L552-C598 PolarHBondContact N-O 2.96Å; L552-V600 HydrophobicContact CD2-CG2 3.63Å; L552-V600 HydrophobicContact CG-CG2 3.78Å; L552-V606 HydrophobicContact CD1-CG1 3.97Å; L552-V606 HydrophobicContact CD1-CG2 3.99Å; L552-V606 HydrophobicContact CD2-CG2 4.44Å; L552-V606 HydrophobicContact CG-CG2 4.41Å; L552-I677 HydrophobicContact CD1-CD1 4.08Å
553	E	91.5	Very high	86.5	Confident	15 Å²	15	52.6 Å²	52.6	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.1	-176.6	165.9	-156.2	0	0	111.1	S551 F557 L595 S596 R682	S551-E553 PolarHBondContact O-N 3.5Å; S551-E553 PolarHBondContact OG-N 3Å; E553-F557 HydrophobicContact CG-CD2 4.16Å; E553-F557 WeakPolarHBondContact O-CB 3.2Å; E553-F557 PolarHBondContact O-N 3.16Å; E553-L595 HydrophobicContact CB-CB 3.8Å; E553-L595 PolarHBondContact N-O 3.19Å; E553-S596 WeakPolarHBondContact OE2-CB 3.47Å; E553-S596 PolarHBondContact OE2-OG 2.89Å; E553-R682 IonicContact OE1-CZ 2.96Å; E553-R682 IonicContact OE1-NH1 3.67Å; E553-R682 PolarHBondContact OE1-NH1 3.37Å; E553-R682 IonicContact OE1-NH2 3.99Å
554	D	88.5	Confident	85.9	Confident	56 Å²	56	54.2 Å²	54.2	30%	0.299	27%	0.266	S	S	.	.	I	π-helix	trans	-64.2	-42.4	176.6	-58.9	-49.6	0	0	0	111.2	Y550 S551 V558 K559	Y550-D554 WeakPolarHBondContact CB-OD2 3.2Å; S551-D554 WeakPolarHBondContact CB-OD2 3.48Å; S551-D554 PolarHBondContact N-OD2 3.47Å; S551-D554 VanDerWaalsContact N-OD2 3.13Å; S551-D554 WeakPolarHBondContact O-CB 2.99Å; S551-D554 PolarHBondContact O-N 2.76Å; S551-D554 VanDerWaalsContact O-N 3.14Å; S551-D554 PolarHBondContact OG-N 3.44Å; S551-D554 VanDerWaalsContact OG-N 3.14Å; S551-D554 PolarHBondContact OG-OD2 2.8Å; D554-V558 CarbonylContact O-C 3.5Å; D554-V558 WeakPolarHBondContact O-CA 3.08Å; D554-V558 VanDerWaalsContact O-CB 3.29Å; D554-V558 WeakPolarHBondContact O-CB 3.15Å; D554-V558 PolarHBondContact O-N 2.93Å; D554-V558 VanDerWaalsContact O-N 3.12Å; D554-K559 PolarHBondContact O-N 2.96Å
555	L	87.4	Confident	85.5	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	28%	0.281	C	S	.	.	I	π-helix	trans	-65.3	-47	179.3	-68.5	174.7	0	0	0	112.1	R549 S551 L552 K559 E560 Q561 F563 V600 W604	R549-L555 HydrophobicContact CB-CD1 4.32Å; R549-L555 HydrophobicContact CB-CD2 4.45Å; R549-L555 WeakPolarHBondContact O-CD2 3.44Å; S551-L555 WeakPolarHBondContact O-CG 2.99Å; S551-L555 PolarHBondContact O-N 2.79Å; L552-L555 HydrophobicContact CD2-CD1 4.32Å; L552-L555 PolarHBondContact O-N 3.2Å; L555-K559 HydrophobicContact CD2-CD 4.18Å; L555-E560 PolarHBondContact O-N 3.24Å; L555-Q561 VanDerWaalsContact O-CB 3.23Å; L555-Q561 WeakPolarHBondContact O-CB 3.24Å; L555-Q561 PolarHBondContact O-N 2.89Å; L555-F563 HydrophobicContact CB-CE2 4.02Å; L555-F563 HydrophobicContact CB-CZ 3.95Å; L555-F563 HydrophobicContact CD1-CZ 4.27Å; L555-V600 HydrophobicContact CD1-CB 4.07Å; L555-V600 HydrophobicContact CD1-CG1 4.45Å; L555-V600 HydrophobicContact CD1-CG2 3.83Å; L555-W604 HydrophobicContact CD1-CZ3 3.99Å
556	I	89.4	Confident	85	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.036	27%	0.267	C	S	.	.	I	π-helix	trans	-78.6	-42.8	-172.9	-70.7	173.1	0	0	0	112	L552 E560 F563 L595 I677 Y680	L552-I556 VanDerWaalsContact O-CB 3.27Å; L552-I556 WeakPolarHBondContact O-CB 3.34Å; L552-I556 VanDerWaalsContact O-CG1 3.29Å; L552-I556 WeakPolarHBondContact O-CG1 2.77Å; L552-I556 PolarHBondContact O-N 3.38Å; I556-E560 WeakPolarHBondContact O-CA 3.23Å; I556-F563 HydrophobicContact CG1-CD2 4.24Å; I556-F563 HydrophobicContact CG1-CE2 4.01Å; I556-L595 HydrophobicContact CD1-CD1 4.13Å; I556-I677 HydrophobicContact CD1-CG1 4.1Å; I556-Y680 HydrophobicContact CG1-CE1 4.35Å; I556-Y680 HydrophobicContact CG2-CD1 3.78Å; I556-Y680 HydrophobicContact CG2-CE1 4.33Å
557	F	87	Confident	84.8	Confident	38 Å²	38	53.6 Å²	53.6	17%	0.167	26%	0.26	C	S	.	.	I	π-helix	trans	-111.9	-20.2	-169.2	-63	-68.2	0	0	0	114.7	E553 L595 Q676 R682	E553-F557 HydrophobicContact CG-CD2 4.16Å; E553-F557 WeakPolarHBondContact O-CB 3.2Å; E553-F557 PolarHBondContact O-N 3.16Å; F557-L595 HydrophobicContact CE2-CD1 4.19Å; F557-Q676 HydrophobicContact CE2-CB 4.35Å; F557-Q676 HydrophobicContact CE2-CG 4.41Å; F557-Q676 HydrophobicContact CZ-CB 4.29Å; F557-Q676 HydrophobicContact CZ-CG 4.3Å; F557-R682 HydrophobicContact CD1-CG 3.96Å; F557-R682 HydrophobicContact CD2-CG 4.49Å; F557-R682 HydrophobicContact CE1-CG 3.57Å; F557-R682 HydrophobicContact CE2-CG 4.12Å; F557-R682 HydrophobicContact CG-CG 4.41Å; F557-R682 HydrophobicContact CZ-CG 3.65Å
558	V	80.8	Confident	85	Confident	100 Å²	100	53.7 Å²	53.7	61%	0.606	26%	0.26	S	S	*	.	I	π-helix	trans	-97.8	-48.5	177.9	-177.7	0	0	0	0	110.5	D554 E560	D554-V558 CarbonylContact O-C 3.5Å; D554-V558 WeakPolarHBondContact O-CA 3.08Å; D554-V558 VanDerWaalsContact O-CB 3.29Å; D554-V558 WeakPolarHBondContact O-CB 3.15Å; D554-V558 PolarHBondContact O-N 2.93Å; D554-V558 VanDerWaalsContact O-N 3.12Å; V558-E560 VanDerWaalsContact C-N 3.3Å
559	K	77.5	Confident	85.3	Confident	115 Å²	115	50.2 Å²	50.2	50%	0.5	24%	0.239	S	C	.	.	S	Bend	trans	-83.7	-7.5	174.5	-61.4	-168.2	-176	-179.5	0	113.3	D554 L555 Q561	D554-K559 PolarHBondContact O-N 2.96Å; L555-K559 HydrophobicContact CD2-CD 4.18Å; K559-Q561 PolarHBondContact O-N 2.87Å
560	E	81.7	Confident	85.7	Confident	153 Å²	153	48.1 Å²	48.1	72%	0.715	23%	0.233	S	C	*	.			trans	49.3	32.3	-176.1	-60.6	-172.6	169	0	0	113	L555 I556 V558 K562	L555-E560 PolarHBondContact O-N 3.24Å; I556-E560 WeakPolarHBondContact O-CA 3.23Å; V558-E560 VanDerWaalsContact C-N 3.3Å; E560-K562 PolarHBondContact O-N 3.26Å
561	Q	78.1	Confident	86	Confident	57 Å²	57	43.8 Å²	43.8	27%	0.266	22%	0.216	S	C	.	.			trans	-70.7	119.4	-176	-169.5	70.3	52.4	0	0	109.3	L555 K559 F563 M764	L555-Q561 VanDerWaalsContact O-CB 3.23Å; L555-Q561 WeakPolarHBondContact O-CB 3.24Å; L555-Q561 PolarHBondContact O-N 2.89Å; K559-Q561 PolarHBondContact O-N 2.87Å; Q561-F563 HydrophobicContact CB-CE1 4.35Å; Q561-F563 HydrophobicContact CB-CE2 3.95Å; Q561-F563 HydrophobicContact CB-CZ 3.71Å; Q561-F563 HydrophobicContact CG-CD1 4.32Å; Q561-F563 HydrophobicContact CG-CE1 3.56Å; Q561-F563 HydrophobicContact CG-CE2 4.05Å; Q561-F563 HydrophobicContact CG-CZ 3.42Å; Q561-F563 VanDerWaalsContact CG-CZ 3.42Å; Q561-F563 WeakPolarHBondContact O-CD2 3.21Å; Q561-F563 WeakPolarHBondContact O-CE2 3.28Å; Q561-M764 HydrophobicContact CG-CE 3.75Å
562	K	78	Confident	86.1	Confident	179 Å²	179	43.6 Å²	43.6	78%	0.778	22%	0.215	S	C	*	.			trans	-84.4	125.5	175.1	-65.1	-177.6	-177.6	174.7	0	109.5	E560	E560-K562 PolarHBondContact O-N 3.26Å
563	F	83.6	Confident	86.1	Confident	12 Å²	12	46.2 Å²	46.2	5%	0.053	23%	0.226	C	C	.	.			trans	-107.7	134.5	176.2	-58.1	-72.1	0	0	0	111.4	L555 I556 Q561 F567 F571 W604 Y680 M764	L555-F563 HydrophobicContact CB-CE2 4.02Å; L555-F563 HydrophobicContact CB-CZ 3.95Å; L555-F563 HydrophobicContact CD1-CZ 4.27Å; I556-F563 HydrophobicContact CG1-CD2 4.24Å; I556-F563 HydrophobicContact CG1-CE2 4.01Å; Q561-F563 HydrophobicContact CB-CE1 4.35Å; Q561-F563 HydrophobicContact CB-CE2 3.95Å; Q561-F563 HydrophobicContact CB-CZ 3.71Å; Q561-F563 HydrophobicContact CG-CD1 4.32Å; Q561-F563 HydrophobicContact CG-CE1 3.56Å; Q561-F563 HydrophobicContact CG-CE2 4.05Å; Q561-F563 HydrophobicContact CG-CZ 3.42Å; Q561-F563 VanDerWaalsContact CG-CZ 3.42Å; Q561-F563 WeakPolarHBondContact O-CD2 3.21Å; Q561-F563 WeakPolarHBondContact O-CE2 3.28Å; F563-F567 HydrophobicContact CB-CB 3.68Å; F563-F567 HydrophobicContact CB-CG 4.39Å; F563-F567 HydrophobicContact CD1-CB 4.12Å; F563-F567 HydrophobicContact CD1-CD2 4.07Å; F563-F567 HydrophobicContact CD1-CG 4.02Å; F563-F567 HydrophobicContact CG-CB 4.21Å; F563-F571 HydrophobicContact CB-CE2 4.38Å; F563-F571 HydrophobicContact CD1-CE2 4.01Å; F563-F571 HydrophobicContact CD1-CZ 4.15Å; F563-F571 AromaticContact CD2-CE2 3.83Å; F563-F571 HydrophobicContact CD2-CE2 3.83Å; F563-F571 HydrophobicContact CE1-CE2 4.26Å; F563-F571 HydrophobicContact CE1-CZ 4.2Å; F563-F571 HydrophobicContact CE2-CE2 4.07Å; F563-F571 AromaticContact CG-CE2 3.79Å; F563-F571 HydrophobicContact CG-CE2 3.79Å; F563-F571 HydrophobicContact CG-CZ 4.4Å; F563-F571 HydrophobicContact CZ-CE2 4.28Å; F563-F571 HydrophobicContact CZ-CZ 4.44Å; F563-W604 HydrophobicContact CD1-CZ3 4.26Å; F563-W604 HydrophobicContact CE1-CE3 4.19Å; F563-W604 AromaticContact CE1-CH2 3.47Å; F563-W604 HydrophobicContact CE1-CH2 3.47Å; F563-W604 VanDerWaalsContact CE1-CH2 3.47Å; F563-W604 AromaticContact CE1-CZ3 3.23Å; F563-W604 HydrophobicContact CE1-CZ3 3.23Å; F563-W604 HydrophobicContact CZ-CH2 4Å; F563-W604 AromaticContact CZ-CZ3 3.61Å; F563-W604 HydrophobicContact CZ-CZ3 3.61Å; F563-Y680 WeakPolarHBondContact CA-OH 2.98Å; F563-Y680 WeakPolarHBondContact CB-OH 3.12Å; F563-Y680 HydrophobicContact CD2-CE1 4.28Å; F563-Y680 PolarHBondContact N-OH 3.4Å; F563-Y680 PolarHBondContact O-OH 3.29Å; F563-M764 HydrophobicContact CE1-SD 4.36Å
564	G	81.4	Confident	86.2	Confident	34 Å²	34	47.1 Å²	47.1	35%	0.351	23%	0.231	S	C	.	.			trans	-65.7	169	171.5	0	0	0	0	0	112.7	N566 F567 Q568	G564-N566 PolarHBondContact O-N 3.25Å; G564-N566 VanDerWaalsContact O-N 3.11Å; G564-F567 PolarHBondContact O-N 3.37Å; G564-F567 VanDerWaalsContact O-N 3.15Å; G564-Q568 PolarHBondContact O-N 3.11Å; G564-Q568 VanDerWaalsContact O-N 3.12Å
565	R	84.9	Confident	86.7	Confident	87 Å²	87	44.5 Å²	44.5	33%	0.328	22%	0.216	S	C	.	.	H	α-helix	trans	-52.8	-35.2	-179.3	-120.6	-173.2	-172.9	-142	-0.2	113.5	Q568 S569 S715 E748 F749	R565-Q568 PolarHBondContact O-N 3.4Å; R565-S569 WeakPolarHBondContact O-CB 3.43Å; R565-S569 PolarHBondContact O-N 3.39Å; R565-S715 PolarHBondContact NH2-O 2.94Å; R565-S715 PolarHBondContact NH2-OG 3.01Å; R565-E748 IonicContact NH2-OE1 3.18Å; R565-F749 HydrophobicContact CG-CE1 4.42Å
566	N	82	Confident	87.1	Confident	16 Å²	16	44.3 Å²	44.3	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-44.4	-178	-61.8	-6.6	0	0	0	111.8	G564 S569 T570 V753 K754 Q760	G564-N566 PolarHBondContact O-N 3.25Å; G564-N566 VanDerWaalsContact O-N 3.11Å; N566-S569 PolarHBondContact O-N 3.02Å; N566-T570 WeakPolarHBondContact O-CB 3.42Å; N566-T570 PolarHBondContact O-N 3.28Å; N566-T570 PolarHBondContact O-OG1 2.89Å; N566-V753 HydrophobicContact CB-CG1 3.95Å; N566-V753 WeakPolarHBondContact OD1-CG1 3.42Å; N566-K754 PolarHBondContact ND2-O 3.17Å; N566-Q760 PolarHBondContact ND2-NE2 2.85Å
567	F	87.4	Confident	87.4	Confident	2 Å²	2	48 Å²	48	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-45.2	173.1	-87.5	-63.3	0	0	0	111.7	F563 G564 S569 T570 F571 W604 L757 Q760 M761 M764	F563-F567 HydrophobicContact CB-CB 3.68Å; F563-F567 HydrophobicContact CB-CG 4.39Å; F563-F567 HydrophobicContact CD1-CB 4.12Å; F563-F567 HydrophobicContact CD1-CD2 4.07Å; F563-F567 HydrophobicContact CD1-CG 4.02Å; F563-F567 HydrophobicContact CG-CB 4.21Å; G564-F567 PolarHBondContact O-N 3.37Å; G564-F567 VanDerWaalsContact O-N 3.15Å; F567-S569 VanDerWaalsContact C-N 3.31Å; F567-S569 PolarHBondContact O-N 2.98Å; F567-T570 PolarHBondContact O-N 2.62Å; F567-T570 VanDerWaalsContact O-N 3.11Å; F567-F571 HydrophobicContact CB-CE2 4.08Å; F567-F571 HydrophobicContact CB-CZ 4.08Å; F567-F571 AromaticContact CD1-CE1 3.8Å; F567-F571 HydrophobicContact CD1-CE1 3.8Å; F567-F571 HydrophobicContact CD1-CE2 4.43Å; F567-F571 AromaticContact CD1-CZ 3.6Å; F567-F571 HydrophobicContact CD1-CZ 3.6Å; F567-F571 HydrophobicContact CE1-CZ 4.43Å; F567-F571 HydrophobicContact CG-CZ 4.16Å; F567-F571 WeakPolarHBondContact O-CD2 3.45Å; F567-F571 WeakPolarHBondContact O-CG 3.4Å; F567-F571 PolarHBondContact O-N 2.62Å; F567-W604 HydrophobicContact CD1-CB 4.43Å; F567-W604 HydrophobicContact CD1-CD2 4.39Å; F567-W604 HydrophobicContact CD1-CE3 4.33Å; F567-W604 HydrophobicContact CD1-CG 4.48Å; F567-W604 HydrophobicContact CE1-CB 3.74Å; F567-W604 AromaticContact CE1-CD2 3.57Å; F567-W604 HydrophobicContact CE1-CD2 3.57Å; F567-W604 AromaticContact CE1-CE3 3.93Å; F567-W604 HydrophobicContact CE1-CE3 3.93Å; F567-W604 AromaticContact CE1-CG 3.51Å; F567-W604 HydrophobicContact CE1-CG 3.51Å; F567-W604 HydrophobicContact CZ-CD2 4.06Å; F567-W604 HydrophobicContact CZ-CG 4.15Å; F567-L757 HydrophobicContact CD1-CD2 3.48Å; F567-L757 VanDerWaalsContact CD1-CD2 3.48Å; F567-L757 HydrophobicContact CE1-CD2 3.47Å; F567-L757 VanDerWaalsContact CE1-CD2 3.47Å; F567-L757 HydrophobicContact CG-CD2 4.1Å; F567-L757 HydrophobicContact CZ-CD2 4.12Å; F567-Q760 HydrophobicContact CD2-CB 4.08Å; F567-Q760 HydrophobicContact CE2-CB 3.45Å; F567-Q760 VanDerWaalsContact CE2-CB 3.45Å; F567-Q760 HydrophobicContact CE2-CG 4.49Å; F567-Q760 HydrophobicContact CZ-CB 4.3Å; F567-M761 HydrophobicContact CZ-CG 3.86Å; F567-M764 HydrophobicContact CE2-SD 4.43Å
568	Q	90.2	Very high	87.8	Confident	13 Å²	13	46.1 Å²	46.1	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-55.1	-47.6	175.8	-67.7	179.4	-42	0	0	111.3	G564 R565 T570 F571 I572 I677 L678 Y680	G564-Q568 PolarHBondContact O-N 3.11Å; G564-Q568 VanDerWaalsContact O-N 3.12Å; R565-Q568 PolarHBondContact O-N 3.4Å; Q568-T570 VanDerWaalsContact C-N 3.34Å; Q568-T570 PolarHBondContact O-N 2.9Å; Q568-F571 PolarHBondContact O-N 2.94Å; Q568-I572 WeakPolarHBondContact O-CD1 3.25Å; Q568-I572 VanDerWaalsContact O-CG1 3.23Å; Q568-I572 WeakPolarHBondContact O-CG1 3.35Å; Q568-I572 PolarHBondContact O-N 3.44Å; Q568-I677 HydrophobicContact CB-CG2 3.94Å; Q568-I677 HydrophobicContact CG-CG2 3.99Å; Q568-I677 PolarHBondContact NE2-O 3.47Å; Q568-L678 PolarHBondContact NE2-O 2.83Å; Q568-Y680 VanDerWaalsContact NE2-CE2 3.29Å
569	S	88.3	Confident	88.6	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-47.8	175.6	-174.2	0	0	0	0	112.2	R565 N566 F567 I572 K573 F749	R565-S569 WeakPolarHBondContact O-CB 3.43Å; R565-S569 PolarHBondContact O-N 3.39Å; N566-S569 PolarHBondContact O-N 3.02Å; F567-S569 VanDerWaalsContact C-N 3.31Å; F567-S569 PolarHBondContact O-N 2.98Å; S569-I572 PolarHBondContact O-N 2.63Å; S569-K573 WeakPolarHBondContact O-CB 3.5Å; S569-K573 VanDerWaalsContact O-CG 3.3Å; S569-K573 WeakPolarHBondContact O-CG 3.46Å; S569-K573 PolarHBondContact O-N 3.38Å; S569-K573 WeakPolarHBondContact OG-CE 2.83Å; S569-K573 PolarHBondContact OG-NZ 3.08Å; S569-F749 VanDerWaalsContact CB-CG 3.45Å; S569-F749 WeakPolarHBondContact OG-CB 3.47Å; S569-F749 WeakPolarHBondContact OG-CD2 3.18Å; S569-F749 WeakPolarHBondContact OG-CG 3.24Å
570	T	88.8	Confident	89.5	Confident	22 Å²	22	39.4 Å²	39.4	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-46.6	-176.6	-59.9	0	0	0	0	111.1	N566 F567 Q568 I572 K573 H574 L757	N566-T570 WeakPolarHBondContact O-CB 3.42Å; N566-T570 PolarHBondContact O-N 3.28Å; N566-T570 PolarHBondContact O-OG1 2.89Å; F567-T570 PolarHBondContact O-N 2.62Å; F567-T570 VanDerWaalsContact O-N 3.11Å; Q568-T570 VanDerWaalsContact C-N 3.34Å; Q568-T570 PolarHBondContact O-N 2.9Å; T570-I572 PolarHBondContact O-N 2.79Å; T570-K573 PolarHBondContact O-N 2.71Å; T570-H574 WeakPolarHBondContact CG2-CE1 3.03Å; T570-H574 WeakPolarHBondContact O-CB 3.39Å; T570-H574 PolarHBondContact O-N 3.39Å; T570-H574 PolarHBondContact O-ND1 3.24Å; T570-L757 HydrophobicContact CG2-CD1 3.82Å; T570-L757 HydrophobicContact CG2-CD2 4.26Å
571	F	93.9	Very high	90.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-45.8	178	-61.7	-19.6	0	0	0	111.7	L552 F563 F567 Q568 H574 I575 W604 V606 I677	L552-F571 HydrophobicContact CD1-CB 4.19Å; L552-F571 HydrophobicContact CD1-CG 4.39Å; L552-F571 HydrophobicContact CD2-CD1 4.32Å; L552-F571 HydrophobicContact CD2-CD2 3.6Å; L552-F571 HydrophobicContact CD2-CE1 4.42Å; L552-F571 HydrophobicContact CD2-CE2 3.72Å; L552-F571 HydrophobicContact CD2-CG 3.92Å; L552-F571 HydrophobicContact CD2-CZ 4.15Å; F563-F571 HydrophobicContact CB-CE2 4.38Å; F563-F571 HydrophobicContact CD1-CE2 4.01Å; F563-F571 HydrophobicContact CD1-CZ 4.15Å; F563-F571 AromaticContact CD2-CE2 3.83Å; F563-F571 HydrophobicContact CD2-CE2 3.83Å; F563-F571 HydrophobicContact CE1-CE2 4.26Å; F563-F571 HydrophobicContact CE1-CZ 4.2Å; F563-F571 HydrophobicContact CE2-CE2 4.07Å; F563-F571 AromaticContact CG-CE2 3.79Å; F563-F571 HydrophobicContact CG-CE2 3.79Å; F563-F571 HydrophobicContact CG-CZ 4.4Å; F563-F571 HydrophobicContact CZ-CE2 4.28Å; F563-F571 HydrophobicContact CZ-CZ 4.44Å; F567-F571 HydrophobicContact CB-CE2 4.08Å; F567-F571 HydrophobicContact CB-CZ 4.08Å; F567-F571 AromaticContact CD1-CE1 3.8Å; F567-F571 HydrophobicContact CD1-CE1 3.8Å; F567-F571 HydrophobicContact CD1-CE2 4.43Å; F567-F571 AromaticContact CD1-CZ 3.6Å; F567-F571 HydrophobicContact CD1-CZ 3.6Å; F567-F571 HydrophobicContact CE1-CZ 4.43Å; F567-F571 HydrophobicContact CG-CZ 4.16Å; F567-F571 WeakPolarHBondContact O-CD2 3.45Å; F567-F571 WeakPolarHBondContact O-CG 3.4Å; F567-F571 PolarHBondContact O-N 2.62Å; Q568-F571 PolarHBondContact O-N 2.94Å; F571-H574 PolarHBondContact O-N 2.87Å; F571-I575 VanDerWaalsContact O-CG1 3.27Å; F571-I575 WeakPolarHBondContact O-CG1 3.04Å; F571-I575 PolarHBondContact O-N 2.87Å; F571-W604 HydrophobicContact CE1-CB 4.42Å; F571-W604 AromaticContact CE1-CE3 4Å; F571-W604 HydrophobicContact CE1-CE3 4Å; F571-W604 AromaticContact CZ-CE3 3.65Å; F571-W604 HydrophobicContact CZ-CE3 3.65Å; F571-W604 HydrophobicContact CZ-CZ3 4.05Å; F571-V606 HydrophobicContact CB-CG2 3.97Å; F571-V606 HydrophobicContact CD1-CG2 3.44Å; F571-V606 VanDerWaalsContact CD1-CG2 3.44Å; F571-V606 HydrophobicContact CE1-CG2 4.23Å; F571-V606 HydrophobicContact CG-CG2 3.94Å; F571-I677 HydrophobicContact CB-CD1 4.2Å
572	I	94.9	Very high	91	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-47.7	178.5	-66.2	164.1	0	0	0	110.6	Q568 S569 T570 H574 I575 V576 I674 I677 L678 V745 F749	Q568-I572 WeakPolarHBondContact O-CD1 3.25Å; Q568-I572 VanDerWaalsContact O-CG1 3.23Å; Q568-I572 WeakPolarHBondContact O-CG1 3.35Å; Q568-I572 PolarHBondContact O-N 3.44Å; S569-I572 PolarHBondContact O-N 2.63Å; T570-I572 PolarHBondContact O-N 2.79Å; I572-H574 VanDerWaalsContact C-N 3.33Å; I572-H574 PolarHBondContact O-N 3.21Å; I572-I575 PolarHBondContact O-N 3.2Å; I572-V576 HydrophobicContact CG2-CG2 4.3Å; I572-V576 VanDerWaalsContact O-CG2 3.28Å; I572-V576 WeakPolarHBondContact O-CG2 3.03Å; I572-V576 PolarHBondContact O-N 3.24Å; I572-I674 HydrophobicContact CD1-CG2 4.09Å; I572-I674 HydrophobicContact CG1-CG1 4.27Å; I572-I674 HydrophobicContact CG2-CD1 4.06Å; I572-I674 HydrophobicContact CG2-CG1 3.87Å; I572-I677 HydrophobicContact CD1-CG2 4.14Å; I572-I677 HydrophobicContact CG1-CB 4.4Å; I572-I677 HydrophobicContact CG1-CD1 4.09Å; I572-I677 HydrophobicContact CG1-CG2 4.05Å; I572-L678 HydrophobicContact CD1-CD2 3.54Å; I572-L678 HydrophobicContact CD1-CG 4.02Å; I572-V745 HydrophobicContact CB-CG1 4.48Å; I572-V745 HydrophobicContact CG2-CB 4.38Å; I572-V745 HydrophobicContact CG2-CG1 3.71Å; I572-V745 HydrophobicContact CG2-CG2 3.69Å; I572-F749 HydrophobicContact CD1-CE2 4.13Å; I572-F749 HydrophobicContact CD1-CZ 4.22Å
573	K	92.7	Very high	91.9	Very high	56 Å²	56	25.3 Å²	25.3	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-43.1	178	-75.2	170.6	177.7	166.9	0	111.9	S569 T570 V576 H577 V745 N746	S569-K573 WeakPolarHBondContact O-CB 3.5Å; S569-K573 VanDerWaalsContact O-CG 3.3Å; S569-K573 WeakPolarHBondContact O-CG 3.46Å; S569-K573 PolarHBondContact O-N 3.38Å; S569-K573 WeakPolarHBondContact OG-CE 2.83Å; S569-K573 PolarHBondContact OG-NZ 3.08Å; T570-K573 PolarHBondContact O-N 2.71Å; K573-V576 PolarHBondContact O-N 3.39Å; K573-H577 WeakPolarHBondContact O-CB 3Å; K573-H577 VanDerWaalsContact O-CG 3.3Å; K573-H577 PolarHBondContact O-N 3.31Å; K573-V745 HydrophobicContact CG-CG1 4.01Å; K573-N746 WeakPolarHBondContact CE-OD1 3.48Å
574	H	94.8	Very high	92.4	Very high	34 Å²	34	30.1 Å²	30.1	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-44.9	176.9	-71.9	172	0	0	0	112.6	N525 T570 F571 I572 H577 G578 V606	N525-H574 VanDerWaalsContact CB-O 3.28Å; N525-H574 WeakPolarHBondContact CB-O 3.47Å; N525-H574 WeakPolarHBondContact ND2-CB 3.28Å; N525-H574 PolarHBondContact ND2-CD2 2.75Å; N525-H574 VanDerWaalsContact ND2-CD2 3.29Å; T570-H574 WeakPolarHBondContact CG2-CE1 3.03Å; T570-H574 WeakPolarHBondContact O-CB 3.39Å; T570-H574 PolarHBondContact O-N 3.39Å; T570-H574 PolarHBondContact O-ND1 3.24Å; F571-H574 PolarHBondContact O-N 2.87Å; I572-H574 VanDerWaalsContact C-N 3.33Å; I572-H574 PolarHBondContact O-N 3.21Å; H574-H577 PolarHBondContact O-N 3.39Å; H574-G578 PolarHBondContact O-N 3.5Å; H574-V606 HydrophobicContact CB-CB 3.7Å; H574-V606 HydrophobicContact CB-CG2 4.18Å; H574-V606 PolarHBondContact ND1-N 3.44Å
575	I	97.5	Very high	92.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-46.1	176.8	-63.9	165.9	0	0	0	110.4	L552 F571 I572 H577 G578 I579 L593 C598 V606 L608 L670 C673 I677	L552-I575 HydrophobicContact CD1-CD1 3.93Å; F571-I575 VanDerWaalsContact O-CG1 3.27Å; F571-I575 WeakPolarHBondContact O-CG1 3.04Å; F571-I575 PolarHBondContact O-N 2.87Å; I572-I575 PolarHBondContact O-N 3.2Å; I575-H577 PolarHBondContact O-N 2.93Å; I575-G578 PolarHBondContact O-N 2.72Å; I575-I579 HydrophobicContact CG2-CG1 4.47Å; I575-I579 WeakPolarHBondContact O-CG1 3.33Å; I575-I579 PolarHBondContact O-N 2.84Å; I575-L593 HydrophobicContact CG2-CD1 4.3Å; I575-L593 HydrophobicContact CG2-CD2 4.47Å; I575-C598 HydrophobicContact CD1-CB 4.45Å; I575-V606 HydrophobicContact CG1-CG1 3.89Å; I575-L608 HydrophobicContact CG1-CD2 4.34Å; I575-L608 HydrophobicContact CG2-CD2 4.23Å; I575-L670 HydrophobicContact CB-CD1 4.46Å; I575-L670 HydrophobicContact CG2-CD1 3.54Å; I575-C673 HydrophobicContact CD1-CB 4.49Å; I575-I677 HydrophobicContact CD1-CD1 3.58Å
576	V	96	Very high	93.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-45.5	178.5	170.5	0	0	0	0	111.4	I572 K573 I579 N580 L670 L738 T742	I572-V576 HydrophobicContact CG2-CG2 4.3Å; I572-V576 VanDerWaalsContact O-CG2 3.28Å; I572-V576 WeakPolarHBondContact O-CG2 3.03Å; I572-V576 PolarHBondContact O-N 3.24Å; K573-V576 PolarHBondContact O-N 3.39Å; V576-I579 PolarHBondContact O-N 3.26Å; V576-N580 WeakPolarHBondContact O-CB 3.25Å; V576-N580 PolarHBondContact O-N 3.02Å; V576-L670 HydrophobicContact CG2-CD1 4.13Å; V576-L670 HydrophobicContact CG2-CD2 4.26Å; V576-L738 HydrophobicContact CG1-CD1 4.24Å; V576-T742 HydrophobicContact CG1-CG2 4.11Å; V576-T742 WeakPolarHBondContact CG1-OG1 3.32Å
577	H	95.4	Very high	93.4	Very high	83 Å²	83	28.6 Å²	28.6	38%	0.384	15%	0.148	S	C	.	.	H	α-helix	trans	-64.5	-41.2	176.5	-72.2	-176.8	0	0	0	112.3	K573 H574 I575 N580 Y581	K573-H577 WeakPolarHBondContact O-CB 3Å; K573-H577 VanDerWaalsContact O-CG 3.3Å; K573-H577 PolarHBondContact O-N 3.31Å; H574-H577 PolarHBondContact O-N 3.39Å; I575-H577 PolarHBondContact O-N 2.93Å; H577-N580 PolarHBondContact O-N 3.32Å; H577-Y581 PolarHBondContact O-N 2.93Å
578	G	96.2	Very high	93.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-45.9	175.1	0	0	0	0	0	112.3	H574 I575 Y581 I582 L608	H574-G578 PolarHBondContact O-N 3.5Å; I575-G578 PolarHBondContact O-N 2.72Å; G578-Y581 WeakPolarHBondContact O-CB 3.38Å; G578-Y581 PolarHBondContact O-N 2.98Å; G578-I582 WeakPolarHBondContact O-CG1 3.45Å; G578-I582 PolarHBondContact O-N 3.21Å; G578-L608 VanDerWaalsContact C-CD1 3.47Å
579	I	97.2	Very high	93.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-43.1	177	-70.8	-63.6	0	0	0	111.4	I575 V576 Y581 I582 H583 H590 L593 L608 L738	I575-I579 HydrophobicContact CG2-CG1 4.47Å; I575-I579 WeakPolarHBondContact O-CG1 3.33Å; I575-I579 PolarHBondContact O-N 2.84Å; V576-I579 PolarHBondContact O-N 3.26Å; I579-Y581 PolarHBondContact O-N 3.28Å; I579-I582 PolarHBondContact O-N 2.72Å; I579-I582 VanDerWaalsContact O-N 3.13Å; I579-H583 WeakPolarHBondContact CG2-CE1 3.27Å; I579-H583 PolarHBondContact O-N 3.45Å; I579-H590 HydrophobicContact CD1-CB 3.94Å; I579-L593 HydrophobicContact CD1-CD1 3.99Å; I579-L593 HydrophobicContact CD1-CD2 3.64Å; I579-L593 HydrophobicContact CD1-CG 4.27Å; I579-L593 HydrophobicContact CG1-CD1 4.42Å; I579-L593 HydrophobicContact CG1-CD2 3.8Å; I579-L608 HydrophobicContact CD1-CD1 3.72Å; I579-L608 HydrophobicContact CG1-CD1 3.74Å; I579-L738 HydrophobicContact CG2-CD1 4.32Å; I579-L738 HydrophobicContact CG2-CD2 4Å
580	N	96.3	Very high	94.1	Very high	73 Å²	73	34.6 Å²	34.6	39%	0.39	18%	0.176	S	C	.	.	H	α-helix	trans	-57.9	-40	175.9	-173.4	51.5	0	0	0	111.7	V576 H577 N584 L738	V576-N580 WeakPolarHBondContact O-CB 3.25Å; V576-N580 PolarHBondContact O-N 3.02Å; H577-N580 PolarHBondContact O-N 3.32Å; N580-N584 WeakPolarHBondContact O-CB 3.25Å; N580-N584 PolarHBondContact O-N 3.19Å; N580-N584 PolarHBondContact O-ND2 3.43Å; N580-N584 PolarHBondContact OD1-ND2 2.82Å; N580-N584 VanDerWaalsContact OD1-ND2 3.11Å; N580-L738 VanDerWaalsContact CA-CD2 3.47Å; N580-L738 HydrophobicContact CB-CD2 3.58Å
581	Y	96.5	Very high	94.2	Very high	70 Å²	70	33.6 Å²	33.6	28%	0.275	17%	0.17	S	C	.	.	H	α-helix	trans	-65.2	-45.5	175.3	-176.9	-97.7	0	0	0	112	M521 S522 H523 I526 H577 G578 I579 N584 S585	M521-Y581 HydrophobicContact CB-CE1 4.39Å; M521-Y581 HydrophobicContact CE-CD1 3.87Å; M521-Y581 HydrophobicContact CE-CE1 3.44Å; M521-Y581 VanDerWaalsContact CE-CE1 3.44Å; M521-Y581 HydrophobicContact CG-CE1 4.4Å; S522-Y581 PolarHBondContact N-OH 3.19Å; S522-Y581 PolarHBondContact O-OH 2.83Å; H523-Y581 HydrophobicContact CB-CD1 3.9Å; H523-Y581 HydrophobicContact CB-CD2 3.98Å; H523-Y581 HydrophobicContact CB-CE1 3.89Å; H523-Y581 HydrophobicContact CB-CE2 4Å; H523-Y581 HydrophobicContact CB-CG 3.92Å; H523-Y581 AromaticContact CD2-CD2 3.71Å; H523-Y581 AromaticContact CG-CD2 3.91Å; H523-Y581 AromaticContact CG-CG 3.84Å; I526-Y581 HydrophobicContact CD1-CD1 4.13Å; I526-Y581 HydrophobicContact CG1-CD1 3.61Å; I526-Y581 HydrophobicContact CG1-CE1 4.11Å; I526-Y581 HydrophobicContact CG1-CG 4.39Å; H577-Y581 PolarHBondContact O-N 2.93Å; G578-Y581 WeakPolarHBondContact O-CB 3.38Å; G578-Y581 PolarHBondContact O-N 2.98Å; I579-Y581 PolarHBondContact O-N 3.28Å; Y581-N584 PolarHBondContact O-N 2.94Å; Y581-S585 WeakPolarHBondContact O-CB 3.07Å; Y581-S585 PolarHBondContact O-N 3.48Å
582	I	95.5	Very high	93.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-46.1	178.3	-67.3	169.6	0	0	0	111.3	I526 G578 I579 N584 S585 K588 H590 L608 F611	I526-I582 HydrophobicContact CD1-CD1 3.81Å; I526-I582 HydrophobicContact CD1-CG1 3.7Å; G578-I582 WeakPolarHBondContact O-CG1 3.45Å; G578-I582 PolarHBondContact O-N 3.21Å; I579-I582 PolarHBondContact O-N 2.72Å; I579-I582 VanDerWaalsContact O-N 3.13Å; I582-N584 VanDerWaalsContact C-N 3.27Å; I582-N584 PolarHBondContact O-N 3.36Å; I582-S585 WeakPolarHBondContact O-CB 3.47Å; I582-S585 PolarHBondContact O-N 3.02Å; I582-S585 VanDerWaalsContact O-N 3.08Å; I582-S585 PolarHBondContact O-OG 3.37Å; I582-K588 WeakPolarHBondContact O-CA 3.49Å; I582-K588 PolarHBondContact O-N 3.15Å; I582-H590 HydrophobicContact CD1-CB 4.21Å; I582-L608 HydrophobicContact CD1-CB 4.38Å; I582-L608 HydrophobicContact CD1-CD1 4Å; I582-F611 HydrophobicContact CD1-CB 4.39Å; I582-F611 HydrophobicContact CD1-CD1 3.96Å; I582-F611 HydrophobicContact CD1-CD2 4.24Å; I582-F611 HydrophobicContact CD1-CE1 4.36Å; I582-F611 HydrophobicContact CD1-CG 3.92Å; I582-F611 HydrophobicContact CG1-CD2 4.42Å
583	H	95.6	Very high	93.8	Very high	23 Å²	23	34 Å²	34	11%	0.106	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-34.5	-179.8	-70.4	-176.9	0	0	0	112.7	I579 K588 D666	I579-H583 WeakPolarHBondContact CG2-CE1 3.27Å; I579-H583 PolarHBondContact O-N 3.45Å; H583-K588 WeakPolarHBondContact CA-O 3.19Å; H583-K588 PolarHBondContact CD2-O 2.75Å; H583-K588 WeakPolarHBondContact O-CD 3.43Å; H583-D666 IonicContact CD2-OD2 4Å; H583-D666 IonicContact CE1-OD2 3.95Å; H583-D666 IonicContact NE2-OD2 2.87Å; H583-D666 PolarHBondContact NE2-OD2 2.91Å
584	N	94.5	Very high	93.8	Very high	114 Å²	114	32 Å²	32	61%	0.61	17%	0.165	S	C	*	.	H	α-helix	trans	-84.4	-14.6	176.3	-68.6	-48.7	0	0	0	113.6	N580 Y581 I582	N580-N584 WeakPolarHBondContact O-CB 3.25Å; N580-N584 PolarHBondContact O-N 3.19Å; N580-N584 PolarHBondContact O-ND2 3.43Å; N580-N584 PolarHBondContact OD1-ND2 2.82Å; N580-N584 VanDerWaalsContact OD1-ND2 3.11Å; Y581-N584 PolarHBondContact O-N 2.94Å; I582-N584 VanDerWaalsContact C-N 3.27Å; I582-N584 PolarHBondContact O-N 3.36Å
585	S	92.7	Very high	93.7	Very high	19 Å²	19	30.4 Å²	30.4	13%	0.133	16%	0.157	C	C	.	.	S	Bend	trans	-74.1	179.9	175.4	80.5	0	0	0	0	112.9	Y581 I582 I587 K588	Y581-S585 WeakPolarHBondContact O-CB 3.07Å; Y581-S585 PolarHBondContact O-N 3.48Å; I582-S585 WeakPolarHBondContact O-CB 3.47Å; I582-S585 PolarHBondContact O-N 3.02Å; I582-S585 VanDerWaalsContact O-N 3.08Å; I582-S585 PolarHBondContact O-OG 3.37Å; S585-I587 VanDerWaalsContact C-N 3.3Å; S585-I587 PolarHBondContact OG-N 3.45Å; S585-I587 VanDerWaalsContact OG-N 3.17Å; S585-K588 VanDerWaalsContact O-CD 3.25Å; S585-K588 WeakPolarHBondContact O-CD 3.23Å; S585-K588 WeakPolarHBondContact O-CE 3.43Å; S585-K588 PolarHBondContact O-NZ 3.43Å
586	S	87.9	Confident	93.4	Very high	66 Å²	66	32.3 Å²	32.3	46%	0.462	17%	0.17	S	C	.	.	S	Bend	trans	-71.2	-22.6	171.8	53.3	0	0	0	0	113.6	Q517 K588	Q517-S586 PolarHBondContact OE1-OG 3Å; S586-K588 VanDerWaalsContact C-N 3.33Å
587	I	89.6	Confident	93.2	Very high	20 Å²	20	32.9 Å²	32.9	10%	0.103	17%	0.174	C	C	.	.	S	Bend	trans	-73.1	-29.7	179.6	-60.3	-177.6	0	0	0	111.2	L518 M521 S585 V589 F611	L518-I587 HydrophobicContact CB-CD1 4.44Å; L518-I587 HydrophobicContact CD1-CD1 3.56Å; M521-I587 HydrophobicContact CE-CD1 4.18Å; M521-I587 HydrophobicContact SD-CD1 3.34Å; M521-I587 WeakPolarHBondContact SD-CD1 3.08Å; M521-I587 HydrophobicContact SD-CG1 4.01Å; S585-I587 VanDerWaalsContact C-N 3.3Å; S585-I587 PolarHBondContact OG-N 3.45Å; S585-I587 VanDerWaalsContact OG-N 3.17Å; I587-V589 WeakPolarHBondContact CG2-O 3.45Å; I587-V589 PolarHBondContact O-N 3.38Å; I587-F611 HydrophobicContact CD1-CD2 3.71Å; I587-F611 HydrophobicContact CD1-CE2 3.67Å; I587-F611 HydrophobicContact CG2-CD2 4.37Å
588	K	91.9	Very high	93.3	Very high	108 Å²	108	29 Å²	29	47%	0.47	16%	0.155	S	C	.	.			trans	63.5	-30.4	177.1	-60.1	-64.5	177	-155.1	0	117	I582 H583 S585 S586	I582-K588 WeakPolarHBondContact O-CA 3.49Å; I582-K588 PolarHBondContact O-N 3.15Å; H583-K588 WeakPolarHBondContact CA-O 3.19Å; H583-K588 PolarHBondContact CD2-O 2.75Å; H583-K588 WeakPolarHBondContact O-CD 3.43Å; S585-K588 VanDerWaalsContact O-CD 3.25Å; S585-K588 WeakPolarHBondContact O-CD 3.23Å; S585-K588 WeakPolarHBondContact O-CE 3.43Å; S585-K588 PolarHBondContact O-NZ 3.43Å; S586-K588 VanDerWaalsContact C-N 3.33Å
589	V	93.8	Very high	93.2	Very high	28 Å²	28	29.7 Å²	29.7	17%	0.17	16%	0.16	C	C	.	.			trans	-140.9	138.2	-169.6	178.4	0	0	0	0	110.2	I587 V663	I587-V589 WeakPolarHBondContact CG2-O 3.45Å; I587-V589 PolarHBondContact O-N 3.38Å; V589-V663 HydrophobicContact CG2-CG2 3.92Å
590	H	94.4	Very high	92.9	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.028	16%	0.16	C	C	.	.			trans	-80	-48.9	170.1	-171.1	-46.4	0	0	0	111.1	I579 I582 A592 T609 F611 D666	I579-H590 HydrophobicContact CD1-CB 3.94Å; I582-H590 HydrophobicContact CD1-CB 4.21Å; H590-A592 PolarHBondContact CE1-O 3.29Å; H590-A592 PolarHBondContact ND1-N 2.77Å; H590-A592 PolarHBondContact O-N 2.82Å; H590-A592 VanDerWaalsContact O-N 3.15Å; H590-T609 PolarHBondContact CE1-O 2.74Å; H590-T609 PolarHBondContact NE2-O 3.22Å; H590-F611 HydrophobicContact CB-CB 4.37Å; H590-D666 PolarHBondContact N-OD2 3.31Å
591	G	89.8	Confident	92.5	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	73.3	2.1	170.5	0	0	0	0	0	116.2	D666	G591-D666 PolarHBondContact N-OD1 3.3Å
592	A	88.2	Confident	91.8	Very high	10 Å²	10	26.2 Å²	26.2	8%	0.083	15%	0.15	C	C	.	.			trans	-157.4	41.6	-179.6	0	0	0	0	0	110	H590 Y594 N597	H590-A592 PolarHBondContact CE1-O 3.29Å; H590-A592 PolarHBondContact ND1-N 2.77Å; H590-A592 PolarHBondContact O-N 2.82Å; H590-A592 VanDerWaalsContact O-N 3.15Å; A592-Y594 HydrophobicContact CB-CD2 4.31Å; A592-Y594 HydrophobicContact CB-CE2 3.78Å; A592-Y594 WeakPolarHBondContact O-CD2 3.45Å; A592-Y594 PolarHBondContact O-N 2.8Å; A592-Y594 VanDerWaalsContact O-N 3.13Å; A592-N597 PolarHBondContact O-ND2 2.71Å
593	L	93.7	Very high	91.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.			trans	-72.6	107.8	179.7	-177	63.7	0	0	0	109.7	I575 I579 L608 Q669 L670	I575-L593 HydrophobicContact CG2-CD1 4.3Å; I575-L593 HydrophobicContact CG2-CD2 4.47Å; I579-L593 HydrophobicContact CD1-CD1 3.99Å; I579-L593 HydrophobicContact CD1-CD2 3.64Å; I579-L593 HydrophobicContact CD1-CG 4.27Å; I579-L593 HydrophobicContact CG1-CD1 4.42Å; I579-L593 HydrophobicContact CG1-CD2 3.8Å; L593-L608 HydrophobicContact CD1-CD1 4.43Å; L593-L608 HydrophobicContact CD1-CD2 3.94Å; L593-Q669 HydrophobicContact CB-CB 3.89Å; L593-Q669 HydrophobicContact CD2-CB 4.37Å; L593-Q669 HydrophobicContact CG-CB 4.42Å; L593-Q669 WeakPolarHBondContact O-CB 3.43Å; L593-Q669 PolarHBondContact O-NE2 3.01Å; L593-L670 HydrophobicContact CD2-CB 3.87Å; L593-L670 HydrophobicContact CD2-CD1 4.41Å
594	Y	92.4	Very high	90.6	Very high	13 Å²	13	34 Å²	34	5%	0.051	18%	0.18	C	C	.	.			trans	-135.3	160.5	176	-51	-67	0	0	0	108.5	A592 S596 N597 C598 K640 Q643 L644	A592-Y594 HydrophobicContact CB-CD2 4.31Å; A592-Y594 HydrophobicContact CB-CE2 3.78Å; A592-Y594 WeakPolarHBondContact O-CD2 3.45Å; A592-Y594 PolarHBondContact O-N 2.8Å; A592-Y594 VanDerWaalsContact O-N 3.13Å; Y594-S596 PolarHBondContact O-N 2.74Å; Y594-N597 CarbonylContact O-C 3.59Å; Y594-N597 WeakPolarHBondContact O-CA 3.37Å; Y594-N597 PolarHBondContact O-N 3.47Å; Y594-C598 PolarHBondContact O-N 2.79Å; Y594-C598 PolarHBondContact O-SG 2.67Å; Y594-K640 WeakPolarHBondContact CE1-O 3.37Å; Y594-Q643 HydrophobicContact CD1-CB 4.18Å; Y594-Q643 HydrophobicContact CE1-CB 4.22Å; Y594-L644 HydrophobicContact CE1-CD2 4.41Å; Y594-L644 WeakPolarHBondContact OH-CD2 3.44Å
595	L	93.3	Very high	90.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-61.1	-28.2	172.7	-73	-172.2	0	0	0	112.8	S551 L552 E553 I556 F557 N597 C598 C673 Q676 I677	S551-L595 WeakPolarHBondContact CB-O 3.43Å; L552-L595 HydrophobicContact CB-CB 4.26Å; L552-L595 HydrophobicContact CB-CD2 3.97Å; L552-L595 HydrophobicContact CD1-CD2 4.03Å; L552-L595 PolarHBondContact N-O 3.19Å; E553-L595 HydrophobicContact CB-CB 3.8Å; E553-L595 PolarHBondContact N-O 3.19Å; I556-L595 HydrophobicContact CD1-CD1 4.13Å; F557-L595 HydrophobicContact CE2-CD1 4.19Å; L595-N597 PolarHBondContact O-N 2.74Å; L595-C598 PolarHBondContact O-N 3.39Å; L595-C598 VanDerWaalsContact O-N 3.14Å; L595-C673 HydrophobicContact CD2-CB 3.84Å; L595-C673 HydrophobicContact CG-CB 4.43Å; L595-Q676 HydrophobicContact CD1-CB 3.41Å; L595-Q676 VanDerWaalsContact CD1-CB 3.41Å; L595-Q676 HydrophobicContact CD1-CG 4.21Å; L595-Q676 HydrophobicContact CG-CB 4.32Å; L595-I677 HydrophobicContact CD2-CD1 3.94Å; L595-I677 HydrophobicContact CD2-CG1 3.96Å
596	S	90.3	Very high	90.4	Very high	39 Å²	39	28.9 Å²	28.9	27%	0.273	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-64.4	-25.7	171.5	16.5	0	0	0	0	113.7	S551 E553 Y594	S551-S596 WeakPolarHBondContact CB-O 2.86Å; E553-S596 WeakPolarHBondContact OE2-CB 3.47Å; E553-S596 PolarHBondContact OE2-OG 2.89Å; Y594-S596 PolarHBondContact O-N 2.74Å
597	N	92.8	Very high	90.8	Very high	16 Å²	16	27.4 Å²	27.4	9%	0.086	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-98.5	8.8	176.3	-68.8	-13.5	0	0	0	112.4	A592 Y594 L595 L608 T609 D610	A592-N597 PolarHBondContact O-ND2 2.71Å; Y594-N597 CarbonylContact O-C 3.59Å; Y594-N597 WeakPolarHBondContact O-CA 3.37Å; Y594-N597 PolarHBondContact O-N 3.47Å; L595-N597 PolarHBondContact O-N 2.74Å; N597-L608 WeakPolarHBondContact O-CA 3.49Å; N597-T609 HydrophobicContact CB-CG2 4.29Å; N597-T609 WeakPolarHBondContact O-CG2 3.45Å; N597-T609 PolarHBondContact O-N 3.42Å; N597-D610 PolarHBondContact OD1-OD2 2.7Å
598	C	96	Very high	91.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	87.4	172.2	-62.4	0	0	0	0	108.5	S551 L552 I575 Y594 L595 V606 L608	S551-C598 CarbonylContact C-O 3.05Å; S551-C598 WeakPolarHBondContact CA-O 3.45Å; L552-C598 HydrophobicContact CB-CB 4.32Å; L552-C598 HydrophobicContact CD1-CB 3.84Å; L552-C598 HydrophobicContact CG-CB 4.22Å; L552-C598 PolarHBondContact N-O 2.96Å; I575-C598 HydrophobicContact CD1-CB 4.45Å; Y594-C598 PolarHBondContact O-N 2.79Å; Y594-C598 PolarHBondContact O-SG 2.67Å; L595-C598 PolarHBondContact O-N 3.39Å; L595-C598 VanDerWaalsContact O-N 3.14Å; C598-V606 HydrophobicContact CB-CG1 3.75Å; C598-L608 HydrophobicContact CB-CD2 4.48Å
599	V	94.8	Very high	91.3	Very high	16 Å²	16	21.6 Å²	21.6	10%	0.097	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	149.5	-174.2	-67.1	0	0	0	0	112.5	N527 T547 Y550 V606 K607 T609	N527-V599 HydrophobicContact CB-CG2 4.11Å; T547-V599 HydrophobicContact CG2-CB 4.02Å; T547-V599 HydrophobicContact CG2-CG2 3.66Å; T547-V599 WeakPolarHBondContact OG1-CB 3.07Å; Y550-V599 CarbonylContact O-C 3.52Å; Y550-V599 WeakPolarHBondContact O-CA 3.34Å; V599-V606 CarbonylContact O-C 3.53Å; V599-V606 WeakPolarHBondContact O-CA 3.36Å; V599-K607 HydrophobicContact CG2-CB 4.15Å; V599-K607 WeakPolarHBondContact CG2-O 3.34Å; V599-K607 PolarHBondContact N-O 2.67Å; V599-K607 PolarHBondContact O-N 3.45Å; V599-T609 HydrophobicContact CG1-CG2 3.83Å; V599-T609 HydrophobicContact CG2-CG2 4.15Å
600	V	91.9	Very high	91.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.3	-170.2	-172	0	0	0	0	111.1	T547 R549 Y550 L552 L555 W604 V605 V606	T547-V600 WeakPolarHBondContact CB-O 3.34Å; R549-V600 HydrophobicContact CB-CB 4.03Å; R549-V600 HydrophobicContact CB-CG1 4.26Å; R549-V600 WeakPolarHBondContact CB-O 3Å; R549-V600 PolarHBondContact N-O 2.74Å; R549-V600 VanDerWaalsContact N-O 3.11Å; Y550-V600 PolarHBondContact O-N 2.68Å; L552-V600 HydrophobicContact CD2-CG2 3.63Å; L552-V600 HydrophobicContact CG-CG2 3.78Å; L555-V600 HydrophobicContact CD1-CB 4.07Å; L555-V600 HydrophobicContact CD1-CG1 4.45Å; L555-V600 HydrophobicContact CD1-CG2 3.83Å; V600-W604 HydrophobicContact CG1-CE3 3.96Å; V600-V605 WeakPolarHBondContact CA-O 3.18Å; V600-V606 HydrophobicContact CG2-CG2 4.19Å
601	D	87.7	Confident	91.1	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.107	11%	0.11	C	C	.	.			trans	-83.6	-178.1	178	74	14.3	0	0	0	113.5	R549 Y603 W604 V605 K607	R549-D601 VanDerWaalsContact CD-O 3.26Å; R549-D601 WeakPolarHBondContact CD-O 3.42Å; R549-D601 PolarHBondContact NE-O 3.43Å; D601-Y603 PolarHBondContact O-N 3.33Å; D601-Y603 WeakPolarHBondContact OD1-CA 3.35Å; D601-Y603 PolarHBondContact OD1-N 2.65Å; D601-W604 PolarHBondContact O-N 3.3Å; D601-W604 VanDerWaalsContact O-N 3.15Å; D601-W604 PolarHBondContact OD1-N 2.81Å; D601-V605 PolarHBondContact N-O 3.28Å; D601-V605 VanDerWaalsContact N-O 3.1Å; D601-V605 WeakPolarHBondContact OD1-CB 3.19Å; D601-V605 PolarHBondContact OD1-N 2.67Å; D601-K607 WeakPolarHBondContact OD2-CE 3.4Å; D601-K607 IonicContact OD2-NZ 3.69Å; D601-K607 PolarHBondContact OD2-NZ 3.49Å
602	S	81.7	Confident	91.1	Very high	49 Å²	49	22.1 Å²	22.1	34%	0.343	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.9	-178.3	50.4	0	0	0	0	113.2	T548 R549	T548-S602 VanDerWaalsContact OG1-CA 3.3Å; T548-S602 WeakPolarHBondContact OG1-CA 3.38Å; T548-S602 PolarHBondContact OG1-N 2.67Å; T548-S602 VanDerWaalsContact OG1-N 3.12Å; R549-S602 PolarHBondContact NE-O 2.74Å; R549-S602 PolarHBondContact NH2-O 2.75Å
603	Y	79.9	Confident	91.1	Very high	181 Å²	181	22 Å²	22	71%	0.71	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	12.8	-177.6	-55.9	-76.7	0	0	0	113.1	D601 V605	D601-Y603 PolarHBondContact O-N 3.33Å; D601-Y603 WeakPolarHBondContact OD1-CA 3.35Å; D601-Y603 PolarHBondContact OD1-N 2.65Å; Y603-V605 PolarHBondContact O-N 3.46Å
604	W	85.6	Confident	90.6	Very high	6 Å²	6	24 Å²	24	2%	0.023	12%	0.123	C	C	.	.			trans	62.8	24.4	-179.1	-61.2	91.4	0	0	0	114.7	R549 L555 F563 F567 F571 V600 D601 M761 M764	R549-W604 VanDerWaalsContact CZ-CE2 3.43Å; R549-W604 VanDerWaalsContact NH1-CZ2 3.28Å; L555-W604 HydrophobicContact CD1-CZ3 3.99Å; F563-W604 HydrophobicContact CD1-CZ3 4.26Å; F563-W604 HydrophobicContact CE1-CE3 4.19Å; F563-W604 AromaticContact CE1-CH2 3.47Å; F563-W604 HydrophobicContact CE1-CH2 3.47Å; F563-W604 VanDerWaalsContact CE1-CH2 3.47Å; F563-W604 AromaticContact CE1-CZ3 3.23Å; F563-W604 HydrophobicContact CE1-CZ3 3.23Å; F563-W604 HydrophobicContact CZ-CH2 4Å; F563-W604 AromaticContact CZ-CZ3 3.61Å; F563-W604 HydrophobicContact CZ-CZ3 3.61Å; F567-W604 HydrophobicContact CD1-CB 4.43Å; F567-W604 HydrophobicContact CD1-CD2 4.39Å; F567-W604 HydrophobicContact CD1-CE3 4.33Å; F567-W604 HydrophobicContact CD1-CG 4.48Å; F567-W604 HydrophobicContact CE1-CB 3.74Å; F567-W604 AromaticContact CE1-CD2 3.57Å; F567-W604 HydrophobicContact CE1-CD2 3.57Å; F567-W604 AromaticContact CE1-CE3 3.93Å; F567-W604 HydrophobicContact CE1-CE3 3.93Å; F567-W604 AromaticContact CE1-CG 3.51Å; F567-W604 HydrophobicContact CE1-CG 3.51Å; F567-W604 HydrophobicContact CZ-CD2 4.06Å; F567-W604 HydrophobicContact CZ-CG 4.15Å; F571-W604 HydrophobicContact CE1-CB 4.42Å; F571-W604 AromaticContact CE1-CE3 4Å; F571-W604 HydrophobicContact CE1-CE3 4Å; F571-W604 AromaticContact CZ-CE3 3.65Å; F571-W604 HydrophobicContact CZ-CE3 3.65Å; F571-W604 HydrophobicContact CZ-CZ3 4.05Å; V600-W604 HydrophobicContact CG1-CE3 3.96Å; D601-W604 PolarHBondContact O-N 3.3Å; D601-W604 VanDerWaalsContact O-N 3.15Å; D601-W604 PolarHBondContact OD1-N 2.81Å; W604-M761 VanDerWaalsContact CD1-CE 3.46Å; W604-M761 HydrophobicContact CG-SD 4.43Å; W604-M764 HydrophobicContact CH2-CE 3.71Å; W604-M764 HydrophobicContact CH2-SD 4.25Å; W604-M764 HydrophobicContact CZ2-CE 3.74Å; W604-M764 HydrophobicContact CZ2-SD 4.12Å
605	V	88.8	Confident	90.2	Very high	25 Å²	25	24.5 Å²	24.5	15%	0.152	13%	0.131	C	C	.	.			trans	-83.4	126.9	170.7	-176.5	0	0	0	0	108.7	T524 V600 D601 Y603 K607	T524-V605 HydrophobicContact CG2-CG1 4Å; T524-V605 WeakPolarHBondContact O-CG1 3.44Å; V600-V605 WeakPolarHBondContact CA-O 3.18Å; D601-V605 PolarHBondContact N-O 3.28Å; D601-V605 VanDerWaalsContact N-O 3.1Å; D601-V605 WeakPolarHBondContact OD1-CB 3.19Å; D601-V605 PolarHBondContact OD1-N 2.67Å; Y603-V605 PolarHBondContact O-N 3.46Å; V605-K607 HydrophobicContact CG1-CG 4.47Å
606	V	94.7	Very high	90	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.7	176.4	-174.7	0	0	0	0	108.2	N525 L552 F571 H574 I575 C598 V599 V600	N525-V606 WeakPolarHBondContact CA-O 3.04Å; N525-V606 WeakPolarHBondContact CB-O 3.28Å; N525-V606 PolarHBondContact ND2-O 2.69Å; L552-V606 HydrophobicContact CD1-CG1 3.97Å; L552-V606 HydrophobicContact CD1-CG2 3.99Å; L552-V606 HydrophobicContact CD2-CG2 4.44Å; L552-V606 HydrophobicContact CG-CG2 4.41Å; F571-V606 HydrophobicContact CB-CG2 3.97Å; F571-V606 HydrophobicContact CD1-CG2 3.44Å; F571-V606 VanDerWaalsContact CD1-CG2 3.44Å; F571-V606 HydrophobicContact CE1-CG2 4.23Å; F571-V606 HydrophobicContact CG-CG2 3.94Å; H574-V606 HydrophobicContact CB-CB 3.7Å; H574-V606 HydrophobicContact CB-CG2 4.18Å; H574-V606 PolarHBondContact ND1-N 3.44Å; I575-V606 HydrophobicContact CG1-CG1 3.89Å; C598-V606 HydrophobicContact CB-CG1 3.75Å; V599-V606 CarbonylContact O-C 3.53Å; V599-V606 WeakPolarHBondContact O-CA 3.36Å; V600-V606 HydrophobicContact CG2-CG2 4.19Å
607	K	96.1	Very high	89.8	Confident	35 Å²	35	24.4 Å²	24.4	15%	0.152	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.8	-178.8	-59.7	-172.4	-175.8	-176.2	0	109.4	T524 N525 N527 V599 D601 V605	T524-K607 WeakPolarHBondContact O-CE 3.43Å; N525-K607 WeakPolarHBondContact O-CA 2.99Å; N527-K607 HydrophobicContact CB-CB 4.02Å; V599-K607 HydrophobicContact CG2-CB 4.15Å; V599-K607 WeakPolarHBondContact CG2-O 3.34Å; V599-K607 PolarHBondContact N-O 2.67Å; V599-K607 PolarHBondContact O-N 3.45Å; D601-K607 WeakPolarHBondContact OD2-CE 3.4Å; D601-K607 IonicContact OD2-NZ 3.69Å; D601-K607 PolarHBondContact OD2-NZ 3.49Å; V605-K607 HydrophobicContact CG1-CG 4.47Å
608	L	97.1	Very high	89.3	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.2	177.8	-53.4	-177.2	0	0	0	110	N525 I526 N527 I575 G578 I579 I582 L593 N597 C598 F611	N525-L608 PolarHBondContact O-N 3.4Å; I526-L608 HydrophobicContact CD1-CB 4.25Å; N527-L608 VanDerWaalsContact CB-O 3.29Å; N527-L608 WeakPolarHBondContact CB-O 3.45Å; N527-L608 PolarHBondContact N-O 3.47Å; I575-L608 HydrophobicContact CG1-CD2 4.34Å; I575-L608 HydrophobicContact CG2-CD2 4.23Å; G578-L608 VanDerWaalsContact C-CD1 3.47Å; I579-L608 HydrophobicContact CD1-CD1 3.72Å; I579-L608 HydrophobicContact CG1-CD1 3.74Å; I582-L608 HydrophobicContact CD1-CB 4.38Å; I582-L608 HydrophobicContact CD1-CD1 4Å; L593-L608 HydrophobicContact CD1-CD1 4.43Å; L593-L608 HydrophobicContact CD1-CD2 3.94Å; N597-L608 WeakPolarHBondContact O-CA 3.49Å; C598-L608 HydrophobicContact CB-CD2 4.48Å; L608-F611 WeakPolarHBondContact O-CE1 3.22Å
609	T	94.8	Very high	88.8	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.025	15%	0.151	C	C	.	.			trans	-131.1	170.4	-177.8	-167.7	0	0	0	0	110.9	N527 W544 H590 N597 V599 F611	N527-T609 PolarHBondContact ND2-OG1 3.22Å; W544-T609 VanDerWaalsContact CG-OG1 3.3Å; H590-T609 PolarHBondContact CE1-O 2.74Å; H590-T609 PolarHBondContact NE2-O 3.22Å; N597-T609 HydrophobicContact CB-CG2 4.29Å; N597-T609 WeakPolarHBondContact O-CG2 3.45Å; N597-T609 PolarHBondContact O-N 3.42Å; V599-T609 HydrophobicContact CG1-CG2 3.83Å; V599-T609 HydrophobicContact CG2-CG2 4.15Å; T609-F611 VanDerWaalsContact C-N 3.31Å; T609-F611 PolarHBondContact O-N 2.62Å
610	D	90.9	Very high	88.4	Confident	31 Å²	31	29.1 Å²	29.1	17%	0.166	15%	0.147	C	C	.	.	S	Bend	trans	61.7	29.5	173.6	-64.4	-64.3	0	0	0	116.1	K497 W544 N597	K497-D610 IonicContact NZ-OD1 2.97Å; K497-D610 PolarHBondContact NZ-OD1 3.35Å; K497-D610 IonicContact NZ-OD2 3.97Å; K497-D610 PolarHBondContact NZ-OD2 2.83Å; W544-D610 PolarHBondContact NE1-OD1 3.28Å; W544-D610 VanDerWaalsContact NE1-OD1 3.09Å; N597-D610 PolarHBondContact OD1-OD2 2.7Å
611	F	92.5	Very high	88	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	16%	0.16	C	C	.	.			trans	-97.4	160.5	170.7	60.3	-86.8	0	0	0	111.5	L518 M521 I526 W544 I582 I587 H590 L608 T609 I613	L518-F611 HydrophobicContact CD1-CD2 3.92Å; L518-F611 HydrophobicContact CD1-CE2 3.33Å; L518-F611 HydrophobicContact CD1-CZ 3.89Å; M521-F611 HydrophobicContact CE-CE2 3.9Å; M521-F611 HydrophobicContact CE-CZ 4.44Å; M521-F611 HydrophobicContact SD-CE2 4.05Å; I526-F611 HydrophobicContact CD1-CE1 4.4Å; I526-F611 HydrophobicContact CD1-CZ 4.47Å; I526-F611 HydrophobicContact CG2-CE1 3.81Å; I526-F611 HydrophobicContact CG2-CZ 3.46Å; I526-F611 VanDerWaalsContact CG2-CZ 3.46Å; W544-F611 AromaticContact CH2-CD1 3.95Å; W544-F611 HydrophobicContact CH2-CD1 3.95Å; W544-F611 AromaticContact CH2-CE1 3.77Å; W544-F611 HydrophobicContact CH2-CE1 3.77Å; W544-F611 HydrophobicContact CH2-CE2 4.48Å; W544-F611 HydrophobicContact CH2-CG 4.35Å; W544-F611 HydrophobicContact CH2-CZ 4.04Å; W544-F611 HydrophobicContact CZ3-CD1 4.27Å; W544-F611 AromaticContact CZ3-CE1 3.67Å; W544-F611 HydrophobicContact CZ3-CE1 3.67Å; W544-F611 AromaticContact CZ3-CZ 3.95Å; W544-F611 HydrophobicContact CZ3-CZ 3.95Å; I582-F611 HydrophobicContact CD1-CB 4.39Å; I582-F611 HydrophobicContact CD1-CD1 3.96Å; I582-F611 HydrophobicContact CD1-CD2 4.24Å; I582-F611 HydrophobicContact CD1-CE1 4.36Å; I582-F611 HydrophobicContact CD1-CG 3.92Å; I582-F611 HydrophobicContact CG1-CD2 4.42Å; I587-F611 HydrophobicContact CD1-CD2 3.71Å; I587-F611 HydrophobicContact CD1-CE2 3.67Å; I587-F611 HydrophobicContact CG2-CD2 4.37Å; H590-F611 HydrophobicContact CB-CB 4.37Å; L608-F611 WeakPolarHBondContact O-CE1 3.22Å; T609-F611 VanDerWaalsContact C-N 3.31Å; T609-F611 PolarHBondContact O-N 2.62Å; F611-I613 PolarHBondContact O-N 2.94Å
612	G	89.2	Confident	87.7	Confident	15 Å²	15	35 Å²	35	16%	0.155	18%	0.18	C	C	.	.	S	Bend	trans	73.9	-24.5	176	0	0	0	0	0	116.6	M514	M514-G612 WeakPolarHBondContact CE-O 3Å
613	I	88.6	Confident	87.9	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	19%	0.187	C	C	.	.			trans	-92.1	-19.9	-172.7	-61.1	175.3	0	0	0	113	L518 F529 V542 W544 F611 G615 I616 L617	L518-I613 HydrophobicContact CD2-CD1 3.71Å; L518-I613 HydrophobicContact CD2-CG1 3.51Å; F529-I613 HydrophobicContact CD2-CD1 3.79Å; F529-I613 HydrophobicContact CE2-CD1 3.24Å; F529-I613 HydrophobicContact CE2-CG1 4.48Å; F529-I613 HydrophobicContact CZ-CD1 3.76Å; V542-I613 HydrophobicContact CG1-CD1 3.49Å; V542-I613 VanDerWaalsContact CG1-CD1 3.49Å; V542-I613 HydrophobicContact CG1-CG2 4.37Å; V542-I613 HydrophobicContact CG2-CG2 4.26Å; W544-I613 HydrophobicContact CZ2-CD1 3.65Å; W544-I613 HydrophobicContact CZ2-CG1 4.39Å; F611-I613 PolarHBondContact O-N 2.94Å; I613-G615 VanDerWaalsContact C-N 3.31Å; I613-G615 PolarHBondContact O-N 2.77Å; I613-I616 WeakPolarHBondContact O-CB 3.44Å; I613-I616 PolarHBondContact O-N 3.26Å; I613-I616 VanDerWaalsContact O-N 3.08Å; I613-L617 HydrophobicContact CG2-CD1 3.8Å; I613-L617 HydrophobicContact CG2-CD2 4.35Å; I613-L617 HydrophobicContact CG2-CG 3.76Å; I613-L617 PolarHBondContact O-N 2.66Å; I613-L617 VanDerWaalsContact O-N 3.07Å
614	K	84.4	Confident	88	Confident	44 Å²	44	35.5 Å²	35.5	19%	0.191	18%	0.181	C	C	.	.	H	α-helix	trans	-54.4	-43.4	-174.8	-167.8	-177.2	-173.2	-172.2	0	113.4	L617 K618 E658 P659	K614-L617 PolarHBondContact O-N 3.39Å; K614-K618 WeakPolarHBondContact O-CB 3.45Å; K614-K618 PolarHBondContact O-N 3.19Å; K614-E658 WeakPolarHBondContact CE-OE2 3.28Å; K614-E658 IonicContact NZ-OE2 3.8Å; K614-P659 PolarHBondContact NZ-O 2.67Å
615	G	83.1	Confident	88	Confident	22 Å²	22	36.5 Å²	36.5	23%	0.227	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-42.3	178.8	0	0	0	0	0	112.9	I613 K618 E619	I613-G615 VanDerWaalsContact C-N 3.31Å; I613-G615 PolarHBondContact O-N 2.77Å; G615-K618 PolarHBondContact O-N 3.43Å; G615-E619 PolarHBondContact O-N 2.67Å; G615-E619 VanDerWaalsContact O-N 3.08Å
616	I	88.3	Confident	87.9	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.9	-69.1	177	0	0	0	110.5	F507 E511 M514 L515 I613 R620	F507-I616 HydrophobicContact CD1-CG2 4.26Å; F507-I616 HydrophobicContact CE1-CG2 3.63Å; E511-I616 HydrophobicContact CB-CD1 4.45Å; E511-I616 HydrophobicContact CG-CG1 4.37Å; M514-I616 HydrophobicContact SD-CD1 4.41Å; L515-I616 HydrophobicContact CD1-CD1 4.29Å; L515-I616 HydrophobicContact CD2-CD1 3.79Å; L515-I616 HydrophobicContact CG-CD1 3.88Å; I613-I616 WeakPolarHBondContact O-CB 3.44Å; I613-I616 PolarHBondContact O-N 3.26Å; I613-I616 VanDerWaalsContact O-N 3.08Å; I616-R620 WeakPolarHBondContact O-CD 3.08Å; I616-R620 PolarHBondContact O-N 3.27Å; I616-R620 PolarHBondContact O-NH1 3.39Å
617	L	87.4	Confident	87	Confident	31 Å²	31	36.1 Å²	36.1	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-44.4	178.1	-65	174.2	0	0	0	111.8	L540 V542 I613 K614 E619 R620 T621 L626	L540-L617 HydrophobicContact CD2-CD2 3.58Å; V542-L617 HydrophobicContact CG2-CD2 4.26Å; I613-L617 HydrophobicContact CG2-CD1 3.8Å; I613-L617 HydrophobicContact CG2-CD2 4.35Å; I613-L617 HydrophobicContact CG2-CG 3.76Å; I613-L617 PolarHBondContact O-N 2.66Å; I613-L617 VanDerWaalsContact O-N 3.07Å; K614-L617 PolarHBondContact O-N 3.39Å; L617-E619 PolarHBondContact O-N 2.65Å; L617-R620 PolarHBondContact O-N 2.85Å; L617-T621 PolarHBondContact O-N 2.84Å; L617-T621 PolarHBondContact O-OG1 2.69Å; L617-L626 HydrophobicContact CD2-CD1 3.91Å
618	K	81.7	Confident	85.6	Confident	52 Å²	52	37.6 Å²	37.6	23%	0.226	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-46.3	179.4	-177	178.9	178.1	-177.6	0	112	K614 G615 R620 T621 N622 E657 E658	K614-K618 WeakPolarHBondContact O-CB 3.45Å; K614-K618 PolarHBondContact O-N 3.19Å; G615-K618 PolarHBondContact O-N 3.43Å; K618-R620 PolarHBondContact O-N 2.89Å; K618-T621 PolarHBondContact O-N 3.22Å; K618-N622 PolarHBondContact O-N 2.91Å; K618-N622 PolarHBondContact O-OD1 3.47Å; K618-E657 WeakPolarHBondContact CE-OE2 3.21Å; K618-E657 IonicContact NZ-OE2 3.24Å; K618-E657 PolarHBondContact NZ-OE2 3.23Å; K618-E658 PolarHBondContact NZ-O 3.03Å
619	E	85	Confident	83.7	Confident	73 Å²	73	42 Å²	42	34%	0.341	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-38	178.9	-170.5	167.3	164.6	0	0	111.9	G615 L617 N622 H623	G615-E619 PolarHBondContact O-N 2.67Å; G615-E619 VanDerWaalsContact O-N 3.08Å; L617-E619 PolarHBondContact O-N 2.65Å; E619-N622 PolarHBondContact O-N 3.06Å; E619-H623 PolarHBondContact O-CD2 3Å; E619-H623 PolarHBondContact O-N 3.42Å; E619-H623 IonicContact OE1-CE1 2.83Å
620	R	88	Confident	81.6	Confident	5 Å²	5	47 Å²	47	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-72.5	-37.5	179.1	-75.7	13.9	179.6	-113	17.8	112.2	I505 T506 E511 I616 L617 K618 N622 H623 K624 E625 L626	I505-R620 HydrophobicContact CG2-CG 3.96Å; T506-R620 PolarHBondContact O-NE 3.21Å; T506-R620 PolarHBondContact O-NH2 2.82Å; E511-R620 IonicContact OE1-CZ 2.76Å; E511-R620 IonicContact OE1-NH1 3.65Å; E511-R620 PolarHBondContact OE1-NH1 2.94Å; E511-R620 IonicContact OE1-NH2 3.66Å; E511-R620 PolarHBondContact OE1-NH2 2.64Å; E511-R620 IonicContact OE2-CZ 3.36Å; E511-R620 IonicContact OE2-NH1 3.43Å; E511-R620 IonicContact OE2-NH2 3.68Å; E511-R620 PolarHBondContact OE2-NH2 2.75Å; I616-R620 WeakPolarHBondContact O-CD 3.08Å; I616-R620 PolarHBondContact O-N 3.27Å; I616-R620 PolarHBondContact O-NH1 3.39Å; L617-R620 PolarHBondContact O-N 2.85Å; K618-R620 PolarHBondContact O-N 2.89Å; R620-N622 VanDerWaalsContact C-N 3.35Å; R620-H623 PolarHBondContact O-N 3.38Å; R620-K624 PolarHBondContact O-N 3.34Å; R620-E625 HydrophobicContact CB-CB 4.2Å; R620-E625 WeakPolarHBondContact CD-OE2 3.44Å; R620-E625 WeakPolarHBondContact CG-OE2 3.4Å; R620-E625 IonicContact NE-OE2 3.23Å; R620-E625 WeakPolarHBondContact O-CB 3.27Å; R620-E625 PolarHBondContact O-N 3Å; R620-L626 HydrophobicContact CB-CB 4.42Å; R620-L626 HydrophobicContact CB-CD1 3.68Å; R620-L626 HydrophobicContact CB-CG 3.81Å; R620-L626 HydrophobicContact CG-CD1 4.48Å; R620-L626 PolarHBondContact O-N 3.47Å
621	T	82.2	Confident	79.2	Confident	45 Å²	45	49.3 Å²	49.3	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-43.2	171.5	-55.1	0	0	0	0	110.7	L617 K618 H623 K624 P628	L617-T621 PolarHBondContact O-N 2.84Å; L617-T621 PolarHBondContact O-OG1 2.69Å; K618-T621 PolarHBondContact O-N 3.22Å; T621-H623 VanDerWaalsContact C-N 3.34Å; T621-H623 PolarHBondContact O-N 3.47Å; T621-K624 WeakPolarHBondContact O-CA 3.31Å; T621-K624 PolarHBondContact O-N 3.26Å; T621-P628 HydrophobicContact CG2-CB 4.13Å
622	N	82.1	Confident	77.1	Confident	98 Å²	98	52.6 Å²	52.6	52%	0.524	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-38.8	176.9	-72.8	-1.6	0	0	0	112.3	K618 E619 R620 K624	K618-N622 PolarHBondContact O-N 2.91Å; K618-N622 PolarHBondContact O-OD1 3.47Å; E619-N622 PolarHBondContact O-N 3.06Å; R620-N622 VanDerWaalsContact C-N 3.35Å; N622-K624 PolarHBondContact O-N 3.07Å
623	H	85	Confident	75.3	Confident	103 Å²	103	56 Å²	56	48%	0.477	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.6	175.6	-68.2	-170.2	0	0	0	113.5	E619 R620 T621 E625	E619-H623 PolarHBondContact O-CD2 3Å; E619-H623 PolarHBondContact O-N 3.42Å; E619-H623 IonicContact OE1-CE1 2.83Å; R620-H623 PolarHBondContact O-N 3.38Å; T621-H623 VanDerWaalsContact C-N 3.34Å; T621-H623 PolarHBondContact O-N 3.47Å; H623-E625 HydrophobicContact CB-CG 3.96Å; H623-E625 IonicContact ND1-OE1 3.64Å; H623-E625 PolarHBondContact O-N 3.18Å
624	K	82.4	Confident	73.5	Confident	139 Å²	139	57.5 Å²	57.5	60%	0.604	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	23	-176.6	-52.7	178.3	179.8	178.2	0	113.2	R620 T621 N622	R620-K624 PolarHBondContact O-N 3.34Å; T621-K624 WeakPolarHBondContact O-CA 3.31Å; T621-K624 PolarHBondContact O-N 3.26Å; N622-K624 PolarHBondContact O-N 3.07Å
625	E	86.4	Confident	72	Confident	26 Å²	26	61 Å²	61	12%	0.121	35%	0.348	C	S	.	.	S	Bend	trans	-77.7	-37.1	173.8	-61.3	175.7	-173.9	0	0	111	R502 R503 I505 R620 H623	R502-E625 PolarHBondContact N-O 2.74Å; R503-E625 HydrophobicContact CB-CG 4.46Å; R503-E625 PolarHBondContact N-O 3.3Å; I505-E625 HydrophobicContact CG1-CB 3.97Å; R620-E625 HydrophobicContact CB-CB 4.2Å; R620-E625 WeakPolarHBondContact CD-OE2 3.44Å; R620-E625 WeakPolarHBondContact CG-OE2 3.4Å; R620-E625 IonicContact NE-OE2 3.23Å; R620-E625 WeakPolarHBondContact O-CB 3.27Å; R620-E625 PolarHBondContact O-N 3Å; H623-E625 HydrophobicContact CB-CG 3.96Å; H623-E625 IonicContact ND1-OE1 3.64Å; H623-E625 PolarHBondContact O-N 3.18Å
626	L	85.3	Confident	70.8	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-103.1	146.7	169.8	-66.9	174.6	0	0	0	110.2	H499 V500 Q501 I505 L540 L617 R620	H499-L626 HydrophobicContact CB-CD1 4.37Å; H499-L626 HydrophobicContact CB-CD2 3.96Å; V500-L626 CarbonylContact O-C 3.54Å; V500-L626 WeakPolarHBondContact O-CA 3.39Å; Q501-L626 HydrophobicContact CB-CD2 4.28Å; I505-L626 HydrophobicContact CD1-CD2 3.65Å; I505-L626 HydrophobicContact CD1-CG 4.09Å; L540-L626 HydrophobicContact CB-CD2 3.72Å; L540-L626 HydrophobicContact CD1-CD2 4.41Å; L617-L626 HydrophobicContact CD2-CD1 3.91Å; R620-L626 HydrophobicContact CB-CB 4.42Å; R620-L626 HydrophobicContact CB-CD1 3.68Å; R620-L626 HydrophobicContact CB-CG 3.81Å; R620-L626 HydrophobicContact CG-CD1 4.48Å; R620-L626 PolarHBondContact O-N 3.47Å
627	A	77.2	Confident	69.5	Low	17 Å²	17	63.4 Å²	63.4	14%	0.14	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-64.1	140.7	165.4	0	0	0	0	0	108.9	V500 R502 S629	V500-A627 HydrophobicContact CB-CB 3.81Å; V500-A627 HydrophobicContact CG1-CB 4.14Å; V500-A627 PolarHBondContact O-N 3.49Å; R502-A627 HydrophobicContact CG-CB 4.36Å; A627-S629 PolarHBondContact O-N 3.45Å; A627-S629 VanDerWaalsContact O-N 3.14Å
628	P	66.5	Low	68.6	Low	66 Å²	66	64.5 Å²	64.5	43%	0.429	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-59.5	121.1	168.2	25	-30.9	0	0	0	108	T621 S630	T621-P628 HydrophobicContact CG2-CB 4.13Å; P628-S630 PolarHBondContact O-N 3.42Å; P628-S630 VanDerWaalsContact O-N 3.1Å
629	S	56.3	Low	68.4	Low	93 Å²	93	64.1 Å²	64.1	65%	0.65	37%	0.366	S	S	*	.	S	Bend	trans	-63	114.5	167.3	61.9	0	0	0	0	106.1	A627	A627-S629 PolarHBondContact O-N 3.45Å; A627-S629 VanDerWaalsContact O-N 3.14Å
630	S	50.5	Low	68.2	Low	109 Å²	109	63.2 Å²	63.2	76%	0.762	36%	0.361	S	S	*	.	S	Bend	trans	30.6	95.3	-179.1	56.9	0	0	0	0	112.9	P628 F632	P628-S630 PolarHBondContact O-N 3.42Å; P628-S630 VanDerWaalsContact O-N 3.1Å; S630-F632 PolarHBondContact O-N 3.3Å
631	A	41.2	Very low	67.9	Low	80 Å²	80	64.2 Å²	64.2	66%	0.661	37%	0.365	S	S	*	.			trans	-28.7	117	179.8	0	0	0	0	0	110.5	D633	A631-D633 PolarHBondContact O-N 3.46Å
632	F	47.4	Very low	68.1	Low	72 Å²	72	62.1 Å²	62.1	32%	0.316	35%	0.352	S	S	.	.			trans	-55.1	95.9	-175.7	179.8	-92.7	0	0	0	107.7	S630 V634 I637 I652 L656	S630-F632 PolarHBondContact O-N 3.3Å; F632-V634 HydrophobicContact CE1-CG2 4.22Å; F632-I637 HydrophobicContact CZ-CG1 4.03Å; F632-I652 HydrophobicContact CE1-CG2 3.82Å; F632-I652 HydrophobicContact CE2-CG2 3.97Å; F632-I652 HydrophobicContact CZ-CG2 3.19Å; F632-L656 HydrophobicContact CD1-CD2 4.28Å; F632-L656 HydrophobicContact CE1-CD2 4.13Å
633	D	51.6	Low	68.6	Low	85 Å²	85	57.5 Å²	57.5	46%	0.455	33%	0.328	S	S	.	.			trans	-88.9	118.7	178	-177.5	-1	0	0	0	105.1	A631 D635 A636 I637	A631-D633 PolarHBondContact O-N 3.46Å; D633-D635 PolarHBondContact O-N 3.06Å; D633-D635 WeakPolarHBondContact OD1-CB 3.2Å; D633-D635 PolarHBondContact OD1-N 3.18Å; D633-A636 HydrophobicContact CB-CB 3.83Å; D633-A636 CarbonylContact O-C 3.59Å; D633-A636 VanDerWaalsContact O-CA 3.32Å; D633-A636 WeakPolarHBondContact O-CA 3.4Å; D633-A636 PolarHBondContact O-N 2.96Å; D633-I637 PolarHBondContact O-N 3.19Å
634	V	51	Low	68.8	Low	38 Å²	38	52.7 Å²	52.7	23%	0.23	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.8	177.6	-177.3	0	0	0	0	110.2	F632 A636 I637 L656	F632-V634 HydrophobicContact CE1-CG2 4.22Å; V634-A636 PolarHBondContact O-N 2.98Å; V634-I637 HydrophobicContact CG1-CD1 4.28Å; V634-I637 WeakPolarHBondContact O-CG1 3.38Å; V634-L656 HydrophobicContact CG2-CD2 3.16Å
635	D	54.3	Low	69.3	Low	119 Å²	119	46 Å²	46	64%	0.636	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-76.9	-10.6	174.8	-64.6	-29.3	0	0	0	112.6	D633 K692	D633-D635 PolarHBondContact O-N 3.06Å; D633-D635 WeakPolarHBondContact OD1-CB 3.2Å; D633-D635 PolarHBondContact OD1-N 3.18Å; D635-K692 IonicContact OD1-NZ 3.3Å; D635-K692 PolarHBondContact OD1-NZ 3.06Å
636	A	56.2	Low	69.5	Low	68 Å²	68	45.1 Å²	45.1	56%	0.562	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-113.1	27.9	176.8	0	0	0	0	0	113.6	D633 V634 H638	D633-A636 HydrophobicContact CB-CB 3.83Å; D633-A636 CarbonylContact O-C 3.59Å; D633-A636 VanDerWaalsContact O-CA 3.32Å; D633-A636 WeakPolarHBondContact O-CA 3.4Å; D633-A636 PolarHBondContact O-N 2.96Å; V634-A636 PolarHBondContact O-N 2.98Å; A636-H638 PolarHBondContact O-N 3.36Å
637	I	60.9	Low	69.7	Low	11 Å²	11	47.4 Å²	47.4	6%	0.056	28%	0.283	C	S	.	.			trans	-55.1	108.5	170.3	-69.2	169.7	0	0	0	108.3	F632 D633 V634 Y641 L653 I691	F632-I637 HydrophobicContact CZ-CG1 4.03Å; D633-I637 PolarHBondContact O-N 3.19Å; V634-I637 HydrophobicContact CG1-CD1 4.28Å; V634-I637 WeakPolarHBondContact O-CG1 3.38Å; I637-Y641 HydrophobicContact CG2-CD2 4.01Å; I637-Y641 HydrophobicContact CG2-CG 4.29Å; I637-L653 HydrophobicContact CD1-CD2 3.77Å; I637-I691 HydrophobicContact CB-CG2 4.39Å; I637-I691 HydrophobicContact CG2-CG2 3.98Å; I637-I691 VanDerWaalsContact O-CG2 3.24Å; I637-I691 WeakPolarHBondContact O-CG2 3.3Å
638	H	69.7	Low	70.3	Confident	54 Å²	54	47 Å²	47	25%	0.25	28%	0.278	C	S	.	.			trans	-65	142.3	178.8	-171	-95.5	0	0	0	110.5	F479 A636 K640 Y641	F479-H638 AromaticContact CD1-NE2 3.99Å; F479-H638 AromaticContact CE1-CE1 3.46Å; F479-H638 VanDerWaalsContact CE1-CE1 3.46Å; F479-H638 WeakPolarHBondContact CE1-CE1 3.35Å; F479-H638 AromaticContact CE1-NE2 3.68Å; F479-H638 AromaticContact CZ-CE1 3.87Å; F479-H638 AromaticContact CZ-NE2 3.89Å; A636-H638 PolarHBondContact O-N 3.36Å; H638-K640 HydrophobicContact CB-CD 4.47Å; H638-K640 HydrophobicContact CB-CG 4.15Å; H638-K640 WeakPolarHBondContact ND1-CB 3.45Å; H638-K640 VanDerWaalsContact ND1-CG 3.29Å; H638-K640 WeakPolarHBondContact ND1-CG 3.47Å; H638-K640 PolarHBondContact ND1-N 3.34Å; H638-K640 PolarHBondContact O-N 2.95Å; H638-Y641 HydrophobicContact CB-CD2 3.95Å; H638-Y641 HydrophobicContact CB-CE2 3.93Å; H638-Y641 VanDerWaalsContact O-CD2 3.25Å; H638-Y641 WeakPolarHBondContact O-CD2 3.13Å; H638-Y641 PolarHBondContact O-N 2.95Å
639	Y	77.8	Confident	71.3	Confident	44 Å²	44	44.1 Å²	44.1	17%	0.173	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-49.7	-31	-178.1	-175.7	-90.5	0	0	0	114	Y641 L642 R682 P683 I691	Y639-Y641 PolarHBondContact O-N 3.01Å; Y639-Y641 VanDerWaalsContact O-N 3.14Å; Y639-L642 HydrophobicContact CD2-CD1 3.69Å; Y639-L642 HydrophobicContact CE2-CD1 3.83Å; Y639-L642 HydrophobicContact CG-CD1 4.3Å; Y639-L642 WeakPolarHBondContact O-CB 3.28Å; Y639-L642 PolarHBondContact O-N 3.25Å; Y639-L642 VanDerWaalsContact O-N 3.11Å; Y639-R682 HydrophobicContact CE1-CB 3.74Å; Y639-R682 HydrophobicContact CE1-CG 4.34Å; Y639-R682 WeakPolarHBondContact OH-CB 3.32Å; Y639-P683 PolarHBondContact OH-O 3.03Å; Y639-I691 HydrophobicContact CD2-CD1 4.28Å; Y639-I691 HydrophobicContact CD2-CG1 4.26Å
640	K	80.3	Confident	72.7	Confident	54 Å²	54	40.5 Å²	40.5	24%	0.235	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-53.7	-30.8	175	77	-173.6	179.1	179.4	0	114.1	Y594 H638 L642 Q643	Y594-K640 WeakPolarHBondContact CE1-O 3.37Å; H638-K640 HydrophobicContact CB-CD 4.47Å; H638-K640 HydrophobicContact CB-CG 4.15Å; H638-K640 WeakPolarHBondContact ND1-CB 3.45Å; H638-K640 VanDerWaalsContact ND1-CG 3.29Å; H638-K640 WeakPolarHBondContact ND1-CG 3.47Å; H638-K640 PolarHBondContact ND1-N 3.34Å; H638-K640 PolarHBondContact O-N 2.95Å; K640-L642 VanDerWaalsContact C-N 3.27Å; K640-L642 PolarHBondContact O-N 2.89Å; K640-Q643 WeakPolarHBondContact O-CB 3.41Å; K640-Q643 PolarHBondContact O-N 2.97Å
641	Y	81.5	Confident	74.3	Confident	26 Å²	26	36.5 Å²	36.5	10%	0.102	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-72.1	-21	-178	-67.7	-74.4	0	0	0	112.7	I637 H638 Y639 Q643 L644 I652 E658	I637-Y641 HydrophobicContact CG2-CD2 4.01Å; I637-Y641 HydrophobicContact CG2-CG 4.29Å; H638-Y641 HydrophobicContact CB-CD2 3.95Å; H638-Y641 HydrophobicContact CB-CE2 3.93Å; H638-Y641 VanDerWaalsContact O-CD2 3.25Å; H638-Y641 WeakPolarHBondContact O-CD2 3.13Å; H638-Y641 PolarHBondContact O-N 2.95Å; Y639-Y641 PolarHBondContact O-N 3.01Å; Y639-Y641 VanDerWaalsContact O-N 3.14Å; Y641-Q643 PolarHBondContact O-N 3.26Å; Y641-Q643 VanDerWaalsContact O-N 3.16Å; Y641-L644 HydrophobicContact CD1-CD1 3.73Å; Y641-L644 VanDerWaalsContact O-CB 3.29Å; Y641-L644 WeakPolarHBondContact O-CB 3.23Å; Y641-L644 PolarHBondContact O-N 3.33Å; Y641-I652 HydrophobicContact CD1-CD1 3.95Å; Y641-I652 HydrophobicContact CE1-CD1 4.42Å; Y641-E658 HydrophobicContact CE1-CG 4.37Å; Y641-E658 WeakPolarHBondContact CE1-OE1 3.39Å; Y641-E658 PolarHBondContact OH-OE1 3.29Å
642	L	86.9	Confident	76.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64	-17.6	173.2	-61.6	173	0	0	0	112.6	Y639 K640 L644 F684 I691 L694 A695 L698	Y639-L642 HydrophobicContact CD2-CD1 3.69Å; Y639-L642 HydrophobicContact CE2-CD1 3.83Å; Y639-L642 HydrophobicContact CG-CD1 4.3Å; Y639-L642 WeakPolarHBondContact O-CB 3.28Å; Y639-L642 PolarHBondContact O-N 3.25Å; Y639-L642 VanDerWaalsContact O-N 3.11Å; K640-L642 VanDerWaalsContact C-N 3.27Å; K640-L642 PolarHBondContact O-N 2.89Å; L642-L644 VanDerWaalsContact C-N 3.29Å; L642-F684 HydrophobicContact CB-CD2 4.27Å; L642-F684 HydrophobicContact CB-CE2 4.4Å; L642-F684 WeakPolarHBondContact O-CE2 3.28Å; L642-I691 HydrophobicContact CD1-CG1 4.49Å; L642-I691 HydrophobicContact CD1-CG2 4.03Å; L642-I691 HydrophobicContact CD2-CG2 4.18Å; L642-I691 HydrophobicContact CG-CG2 4.06Å; L642-L694 HydrophobicContact CD1-CD2 3.69Å; L642-L694 HydrophobicContact CD2-CB 4.08Å; L642-L694 HydrophobicContact CD2-CD2 4.01Å; L642-L694 HydrophobicContact CD2-CG 3.99Å; L642-L694 HydrophobicContact CG-CD2 4.41Å; L642-A695 HydrophobicContact CD2-CB 4.18Å; L642-L698 HydrophobicContact CB-CD1 4.48Å; L642-L698 HydrophobicContact CD2-CD1 3.98Å
643	Q	91.4	Very high	77.8	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.009	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-81.8	-9.3	176.6	-51.9	-176.6	37.8	0	0	112.5	Y594 K640 Y641 Y668 Q669 M672 P683	Y594-Q643 HydrophobicContact CD1-CB 4.18Å; Y594-Q643 HydrophobicContact CE1-CB 4.22Å; K640-Q643 WeakPolarHBondContact O-CB 3.41Å; K640-Q643 PolarHBondContact O-N 2.97Å; Y641-Q643 PolarHBondContact O-N 3.26Å; Y641-Q643 VanDerWaalsContact O-N 3.16Å; Q643-Y668 WeakPolarHBondContact O-CD1 3.42Å; Q643-Q669 WeakPolarHBondContact O-CG 3.47Å; Q643-M672 HydrophobicContact CB-CB 4.3Å; Q643-M672 HydrophobicContact CB-CG 4.24Å; Q643-P683 HydrophobicContact CG-CG 4.2Å
644	L	90.5	Very high	79.2	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	S	Bend	trans	-73.2	153	175.9	-71	175.5	0	0	0	111.3	Y594 Y641 L642 H648 I649 I652 Y668	Y594-L644 HydrophobicContact CE1-CD2 4.41Å; Y594-L644 WeakPolarHBondContact OH-CD2 3.44Å; Y641-L644 HydrophobicContact CD1-CD1 3.73Å; Y641-L644 VanDerWaalsContact O-CB 3.29Å; Y641-L644 WeakPolarHBondContact O-CB 3.23Å; Y641-L644 PolarHBondContact O-N 3.33Å; L642-L644 VanDerWaalsContact C-N 3.29Å; L644-H648 HydrophobicContact CB-CB 4.1Å; L644-H648 HydrophobicContact CD1-CB 4.41Å; L644-I649 HydrophobicContact CB-CD1 4.45Å; L644-I649 HydrophobicContact CB-CG1 3.86Å; L644-I649 VanDerWaalsContact O-CD1 3.32Å; L644-I649 WeakPolarHBondContact O-CD1 3.25Å; L644-I652 HydrophobicContact CD1-CD1 3.42Å; L644-I652 VanDerWaalsContact CD1-CD1 3.42Å; L644-Y668 WeakPolarHBondContact O-CE1 3.37Å
645	A	91.8	Very high	80.3	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.			trans	-63.4	149.5	173.7	0	0	0	0	0	111.7	E647 H648 I649 Y668	A645-E647 VanDerWaalsContact C-N 3.28Å; A645-E647 WeakPolarHBondContact CB-OE1 3.37Å; A645-E647 VanDerWaalsContact CB-OE2 3.23Å; A645-E647 WeakPolarHBondContact CB-OE2 3.2Å; A645-E647 PolarHBondContact O-N 3.3Å; A645-H648 WeakPolarHBondContact O-CA 3.5Å; A645-H648 WeakPolarHBondContact O-CB 3.13Å; A645-H648 PolarHBondContact O-N 3.02Å; A645-I649 PolarHBondContact O-N 3.29Å; A645-Y668 HydrophobicContact CB-CD1 4Å; A645-Y668 HydrophobicContact CB-CD2 4.12Å; A645-Y668 HydrophobicContact CB-CG 3.7Å
646	P	90.4	Very high	81.1	Confident	6 Å²	6	38 Å²	38	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-48	-45.3	-179	-33.6	38	0	0	0	114.4	H648 I649 S650 Y668 L698 Y730	P646-H648 PolarHBondContact O-N 3.22Å; P646-I649 PolarHBondContact O-N 3.29Å; P646-I649 VanDerWaalsContact O-N 3.1Å; P646-S650 PolarHBondContact O-N 3.22Å; P646-S650 PolarHBondContact O-OG 2.96Å; P646-Y668 HydrophobicContact CG-CE2 4.29Å; P646-L698 WeakPolarHBondContact CB-O 3.47Å; P646-Y730 HydrophobicContact CB-CD2 3.74Å; P646-Y730 HydrophobicContact CB-CE2 3.75Å; P646-Y730 HydrophobicContact CG-CD2 4.05Å
647	E	89.7	Confident	81.6	Confident	49 Å²	49	39 Å²	39	23%	0.229	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-28.5	179.5	70	-79.7	-167.1	0	0	113.4	A645 A651 P732 R735	A645-E647 VanDerWaalsContact C-N 3.28Å; A645-E647 WeakPolarHBondContact CB-OE1 3.37Å; A645-E647 VanDerWaalsContact CB-OE2 3.23Å; A645-E647 WeakPolarHBondContact CB-OE2 3.2Å; A645-E647 PolarHBondContact O-N 3.3Å; E647-A651 WeakPolarHBondContact O-CB 3.29Å; E647-A651 PolarHBondContact O-N 3.07Å; E647-P732 HydrophobicContact CG-CG 4.11Å; E647-R735 IonicContact OE1-CZ 3.86Å; E647-R735 IonicContact OE1-NH1 3.68Å; E647-R735 PolarHBondContact OE1-NH1 3.23Å; E647-R735 IonicContact OE1-NH2 2.86Å; E647-R735 PolarHBondContact OE1-NH2 3.43Å; E647-R735 IonicContact OE2-CZ 2.78Å; E647-R735 IonicContact OE2-NH1 3.83Å; E647-R735 IonicContact OE2-NH2 2.85Å; E647-R735 PolarHBondContact OE2-NH2 3.11Å
648	H	89.8	Confident	82.2	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-80.1	-38.2	175.5	-68.3	157.4	0	0	0	111.2	L644 A645 P646 A651 I652 P659 T662	L644-H648 HydrophobicContact CB-CB 4.1Å; L644-H648 HydrophobicContact CD1-CB 4.41Å; A645-H648 WeakPolarHBondContact O-CA 3.5Å; A645-H648 WeakPolarHBondContact O-CB 3.13Å; A645-H648 PolarHBondContact O-N 3.02Å; P646-H648 PolarHBondContact O-N 3.22Å; H648-A651 PolarHBondContact O-N 3.23Å; H648-I652 VanDerWaalsContact O-CG1 3.27Å; H648-I652 WeakPolarHBondContact O-CG1 3.33Å; H648-I652 PolarHBondContact O-N 3.32Å; H648-P659 HydrophobicContact CB-CB 4.44Å; H648-P659 HydrophobicContact CB-CG 3.56Å; H648-T662 PolarHBondContact CE1-OG1 2.96Å; H648-T662 PolarHBondContact NE2-OG1 3.22Å
649	I	88.3	Confident	82.4	Confident	7 Å²	7	40 Å²	40	4%	0.036	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-46.3	175	-60.2	175.3	0	0	0	110	L644 A645 P646 A651 I652 L653 A695 L698	L644-I649 HydrophobicContact CB-CD1 4.45Å; L644-I649 HydrophobicContact CB-CG1 3.86Å; L644-I649 VanDerWaalsContact O-CD1 3.32Å; L644-I649 WeakPolarHBondContact O-CD1 3.25Å; A645-I649 PolarHBondContact O-N 3.29Å; P646-I649 PolarHBondContact O-N 3.29Å; P646-I649 VanDerWaalsContact O-N 3.1Å; I649-A651 VanDerWaalsContact C-N 3.29Å; I649-A651 PolarHBondContact O-N 2.87Å; I649-I652 WeakPolarHBondContact O-CB 3.34Å; I649-I652 PolarHBondContact O-N 3.28Å; I649-I652 VanDerWaalsContact O-N 3.09Å; I649-L653 HydrophobicContact CG2-CD1 3.83Å; I649-L653 HydrophobicContact CG2-CG 4.23Å; I649-L653 WeakPolarHBondContact O-CG 3.36Å; I649-L653 PolarHBondContact O-N 3.27Å; I649-A695 HydrophobicContact CG2-CB 4.05Å; I649-A695 WeakPolarHBondContact CG2-O 3.18Å; I649-L698 HydrophobicContact CD1-CB 3.92Å; I649-L698 HydrophobicContact CD1-CD1 3.96Å
650	S	85.4	Confident	82.4	Confident	16 Å²	16	46.8 Å²	46.8	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-44.5	175.1	-51.8	0	0	0	0	111.1	P646 I652 L653 E654 S699	P646-S650 PolarHBondContact O-N 3.22Å; P646-S650 PolarHBondContact O-OG 2.96Å; S650-I652 VanDerWaalsContact C-N 3.33Å; S650-I652 PolarHBondContact O-N 3.04Å; S650-L653 PolarHBondContact O-N 3.06Å; S650-E654 VanDerWaalsContact O-CB 3.31Å; S650-E654 WeakPolarHBondContact O-CB 3.36Å; S650-E654 VanDerWaalsContact O-CG 3.3Å; S650-E654 WeakPolarHBondContact O-CG 3.42Å; S650-E654 PolarHBondContact O-N 2.84Å; S650-S699 WeakPolarHBondContact OG-CB 3.36Å; S650-S699 PolarHBondContact OG-O 3.32Å
651	A	83.4	Confident	82.8	Confident	25 Å²	25	45 Å²	45	21%	0.207	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-39	176.3	0	0	0	0	0	113	E647 H648 I649 K655	E647-A651 WeakPolarHBondContact O-CB 3.29Å; E647-A651 PolarHBondContact O-N 3.07Å; H648-A651 PolarHBondContact O-N 3.23Å; I649-A651 VanDerWaalsContact C-N 3.29Å; I649-A651 PolarHBondContact O-N 2.87Å; A651-K655 VanDerWaalsContact O-CB 3.27Å; A651-K655 WeakPolarHBondContact O-CB 3.35Å; A651-K655 PolarHBondContact O-N 3.05Å
652	I	81.2	Confident	83.4	Confident	5 Å²	5	46 Å²	46	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-45.9	175.7	-69.8	168.6	0	0	0	110.8	F632 Y641 L644 H648 I649 S650 L656 E657 P659	F632-I652 HydrophobicContact CE1-CG2 3.82Å; F632-I652 HydrophobicContact CE2-CG2 3.97Å; F632-I652 HydrophobicContact CZ-CG2 3.19Å; Y641-I652 HydrophobicContact CD1-CD1 3.95Å; Y641-I652 HydrophobicContact CE1-CD1 4.42Å; L644-I652 HydrophobicContact CD1-CD1 3.42Å; L644-I652 VanDerWaalsContact CD1-CD1 3.42Å; H648-I652 VanDerWaalsContact O-CG1 3.27Å; H648-I652 WeakPolarHBondContact O-CG1 3.33Å; H648-I652 PolarHBondContact O-N 3.32Å; I649-I652 WeakPolarHBondContact O-CB 3.34Å; I649-I652 PolarHBondContact O-N 3.28Å; I649-I652 VanDerWaalsContact O-N 3.09Å; S650-I652 VanDerWaalsContact C-N 3.33Å; S650-I652 PolarHBondContact O-N 3.04Å; I652-L656 WeakPolarHBondContact O-CA 3.43Å; I652-L656 PolarHBondContact O-N 3.01Å; I652-E657 WeakPolarHBondContact CG1-O 3.22Å; I652-P659 HydrophobicContact CD1-CG 4.5Å; I652-P659 HydrophobicContact CG1-CG 4.4Å
653	L	82.2	Confident	83.8	Confident	30 Å²	30	48.5 Å²	48.5	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-38.2	-177	-67.5	173.7	0	0	0	112.5	I637 I649 S650 A695 S699	I637-L653 HydrophobicContact CD1-CD2 3.77Å; I649-L653 HydrophobicContact CG2-CD1 3.83Å; I649-L653 HydrophobicContact CG2-CG 4.23Å; I649-L653 WeakPolarHBondContact O-CG 3.36Å; I649-L653 PolarHBondContact O-N 3.27Å; S650-L653 PolarHBondContact O-N 3.06Å; L653-A695 HydrophobicContact CD1-CB 4.46Å; L653-S699 WeakPolarHBondContact CD1-OG 3.45Å
654	E	81	Confident	84	Confident	149 Å²	149	52.1 Å²	52.1	70%	0.696	26%	0.256	S	S	*	.	H	α-helix	trans	-79.8	-44.3	-179.1	-70.1	173.9	-173.1	0	0	112.6	S650	S650-E654 VanDerWaalsContact O-CB 3.31Å; S650-E654 WeakPolarHBondContact O-CB 3.36Å; S650-E654 VanDerWaalsContact O-CG 3.3Å; S650-E654 WeakPolarHBondContact O-CG 3.42Å; S650-E654 PolarHBondContact O-N 2.84Å
655	K	74	Confident	84.2	Confident	143 Å²	143	52 Å²	52	62%	0.622	26%	0.256	S	S	*	.	H	α-helix	trans	-102.6	-7.9	-171.6	-56.9	-178.3	-179.8	178.4	0	113.6	A651 E657	A651-K655 VanDerWaalsContact O-CB 3.27Å; A651-K655 WeakPolarHBondContact O-CB 3.35Å; A651-K655 PolarHBondContact O-N 3.05Å; K655-E657 HydrophobicContact CB-CB 4.16Å; K655-E657 PolarHBondContact O-N 3.26Å
656	L	71	Confident	84.4	Confident	99 Å²	99	52 Å²	52	52%	0.518	26%	0.256	S	S	.	.	S	Bend	trans	55.2	30.8	-172.9	-59.2	169.9	0	0	0	112.5	F632 V634 I652	F632-L656 HydrophobicContact CD1-CD2 4.28Å; F632-L656 HydrophobicContact CE1-CD2 4.13Å; V634-L656 HydrophobicContact CG2-CD2 3.16Å; I652-L656 WeakPolarHBondContact O-CA 3.43Å; I652-L656 PolarHBondContact O-N 3.01Å
657	E	67	Low	84.8	Confident	89 Å²	89	52.1 Å²	52.1	42%	0.416	26%	0.256	S	S	.	.			trans	-127.9	131.6	-173.6	-83.4	-166.8	-167.5	0	0	111.3	K618 I652 K655 P659	K618-E657 WeakPolarHBondContact CE-OE2 3.21Å; K618-E657 IonicContact NZ-OE2 3.24Å; K618-E657 PolarHBondContact NZ-OE2 3.23Å; I652-E657 WeakPolarHBondContact CG1-O 3.22Å; K655-E657 HydrophobicContact CB-CB 4.16Å; K655-E657 PolarHBondContact O-N 3.26Å; E657-P659 WeakPolarHBondContact O-CD 3.47Å
658	E	72.3	Confident	85.1	Confident	65 Å²	65	49.8 Å²	49.8	30%	0.304	25%	0.245	S	C	.	.			trans	-66.2	129	170.5	-69.9	-166.1	169.3	0	0	111.1	K614 K618 Y641	K614-E658 WeakPolarHBondContact CE-OE2 3.28Å; K614-E658 IonicContact NZ-OE2 3.8Å; K618-E658 PolarHBondContact NZ-O 3.03Å; Y641-E658 HydrophobicContact CE1-CG 4.37Å; Y641-E658 WeakPolarHBondContact CE1-OE1 3.39Å; Y641-E658 PolarHBondContact OH-OE1 3.29Å
659	P	74.8	Confident	85.3	Confident	21 Å²	21	49.4 Å²	49.4	14%	0.136	24%	0.243	C	C	.	.			trans	-75.1	152	178.8	26.4	-30.6	0	0	0	111	K614 H648 I652 E657 G661	K614-P659 PolarHBondContact NZ-O 2.67Å; H648-P659 HydrophobicContact CB-CB 4.44Å; H648-P659 HydrophobicContact CB-CG 3.56Å; I652-P659 HydrophobicContact CD1-CG 4.5Å; I652-P659 HydrophobicContact CG1-CG 4.4Å; E657-P659 WeakPolarHBondContact O-CD 3.47Å; P659-G661 PolarHBondContact O-N 2.95Å
660	R	78	Confident	85.8	Confident	187 Å²	187	49 Å²	49	71%	0.706	24%	0.242	S	C	*	.			trans	-65.9	-21.3	175.4	-76.2	-176.1	173.2	173.8	-3.1	112.8
661	G	88	Confident	86.3	Confident	16 Å²	16	48.3 Å²	48.3	17%	0.165	24%	0.237	C	C	.	.			trans	94.9	164.7	-172.5	0	0	0	0	0	112.3	P659	P659-G661 PolarHBondContact O-N 2.95Å
662	T	93.7	Very high	86.8	Confident	48 Å²	48	47.1 Å²	47.1	29%	0.294	23%	0.227	S	C	.	.			trans	-138.7	160.6	175.5	57.5	0	0	0	0	108.6	H648 E664 G665 D666	H648-T662 PolarHBondContact CE1-OG1 2.96Å; H648-T662 PolarHBondContact NE2-OG1 3.22Å; T662-E664 VanDerWaalsContact C-N 3.26Å; T662-E664 PolarHBondContact O-N 3.5Å; T662-G665 PolarHBondContact O-N 3.36Å; T662-G665 VanDerWaalsContact O-N 3.14Å; T662-G665 WeakPolarHBondContact OG1-CA 3.47Å; T662-G665 PolarHBondContact OG1-N 3.1Å; T662-D666 PolarHBondContact O-N 3.25Å
663	V	95.4	Very high	87.5	Confident	53 Å²	53	46.9 Å²	46.9	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-44.3	175.3	172.6	0	0	0	0	109.9	V589 G665 D666 I667	V589-V663 HydrophobicContact CG2-CG2 3.92Å; V663-G665 VanDerWaalsContact C-N 3.29Å; V663-G665 PolarHBondContact O-N 3.39Å; V663-D666 WeakPolarHBondContact O-CB 3.27Å; V663-D666 PolarHBondContact O-N 3.21Å; V663-I667 WeakPolarHBondContact O-CG1 3.34Å; V663-I667 PolarHBondContact O-N 3Å; V663-I667 VanDerWaalsContact O-N 3.17Å
664	E	96.1	Very high	88.1	Confident	77 Å²	77	45.6 Å²	45.6	36%	0.36	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-30.7	178.4	-62	70.8	-155.6	0	0	112.1	T662 I667 Y668 P732 R735	T662-E664 VanDerWaalsContact C-N 3.26Å; T662-E664 PolarHBondContact O-N 3.5Å; E664-I667 WeakPolarHBondContact O-CB 3.49Å; E664-I667 PolarHBondContact O-N 2.98Å; E664-Y668 PolarHBondContact O-N 3.16Å; E664-P732 HydrophobicContact CB-CB 3.72Å; E664-P732 HydrophobicContact CG-CB 4.04Å; E664-R735 VanDerWaalsContact C-NH1 3.27Å; E664-R735 WeakPolarHBondContact O-CD 3.5Å; E664-R735 PolarHBondContact O-NH1 3.5Å
665	G	95.1	Very high	88.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.9	-38.9	173.1	0	0	0	0	0	112.5	T662 V663 I667 Y668 Q669	T662-G665 PolarHBondContact O-N 3.36Å; T662-G665 VanDerWaalsContact O-N 3.14Å; T662-G665 WeakPolarHBondContact OG1-CA 3.47Å; T662-G665 PolarHBondContact OG1-N 3.1Å; V663-G665 VanDerWaalsContact C-N 3.29Å; V663-G665 PolarHBondContact O-N 3.39Å; G665-I667 VanDerWaalsContact C-N 3.25Å; G665-I667 PolarHBondContact O-N 3.26Å; G665-Y668 WeakPolarHBondContact O-CB 3.31Å; G665-Y668 PolarHBondContact O-N 3.49Å; G665-Q669 WeakPolarHBondContact O-CG 3.28Å; G665-Q669 PolarHBondContact O-N 3.31Å
666	D	96.4	Very high	89.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-36.3	172	-70.7	-19.4	0	0	0	111.1	H583 H590 G591 T662 V663 Q669 L670	H583-D666 IonicContact CD2-OD2 4Å; H583-D666 IonicContact CE1-OD2 3.95Å; H583-D666 IonicContact NE2-OD2 2.87Å; H583-D666 PolarHBondContact NE2-OD2 2.91Å; H590-D666 PolarHBondContact N-OD2 3.31Å; G591-D666 PolarHBondContact N-OD1 3.3Å; T662-D666 PolarHBondContact O-N 3.25Å; V663-D666 WeakPolarHBondContact O-CB 3.27Å; V663-D666 PolarHBondContact O-N 3.21Å; D666-Q669 PolarHBondContact O-N 3.45Å; D666-L670 VanDerWaalsContact O-CB 3.23Å; D666-L670 WeakPolarHBondContact O-CB 3.47Å; D666-L670 PolarHBondContact O-N 3.07Å
667	I	97.4	Very high	90.9	Very high	7 Å²	7	27 Å²	27	4%	0.036	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-42.4	174.9	-62.7	-56.3	0	0	0	111.7	V663 E664 G665 L670 A671 C727 R735 L738 I741	V663-I667 WeakPolarHBondContact O-CG1 3.34Å; V663-I667 PolarHBondContact O-N 3Å; V663-I667 VanDerWaalsContact O-N 3.17Å; E664-I667 WeakPolarHBondContact O-CB 3.49Å; E664-I667 PolarHBondContact O-N 2.98Å; G665-I667 VanDerWaalsContact C-N 3.25Å; G665-I667 PolarHBondContact O-N 3.26Å; I667-L670 PolarHBondContact O-N 3.2Å; I667-A671 PolarHBondContact O-N 3.48Å; I667-C727 HydrophobicContact CG2-CB 3.98Å; I667-R735 HydrophobicContact CG2-CB 4.2Å; I667-L738 HydrophobicContact CD1-CB 4.08Å; I667-L738 HydrophobicContact CD1-CD1 3.96Å; I667-I741 HydrophobicContact CD1-CD1 4.04Å; I667-I741 HydrophobicContact CG2-CD1 3.75Å
668	Y	95.9	Very high	92.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-47.7	175.2	-175.4	-80.6	0	0	0	111.3	Q643 L644 A645 P646 E664 G665 L670 A671 M672 C727 W728	Q643-Y668 WeakPolarHBondContact O-CD1 3.42Å; L644-Y668 WeakPolarHBondContact O-CE1 3.37Å; A645-Y668 HydrophobicContact CB-CD1 4Å; A645-Y668 HydrophobicContact CB-CD2 4.12Å; A645-Y668 HydrophobicContact CB-CG 3.7Å; P646-Y668 HydrophobicContact CG-CE2 4.29Å; E664-Y668 PolarHBondContact O-N 3.16Å; G665-Y668 WeakPolarHBondContact O-CB 3.31Å; G665-Y668 PolarHBondContact O-N 3.49Å; Y668-L670 VanDerWaalsContact C-N 3.35Å; Y668-L670 PolarHBondContact O-N 2.87Å; Y668-A671 PolarHBondContact O-N 3.2Å; Y668-M672 HydrophobicContact CD1-CE 4.35Å; Y668-M672 HydrophobicContact CD1-CG 4.29Å; Y668-M672 HydrophobicContact CE1-CE 3.36Å; Y668-M672 HydrophobicContact CE1-CG 4.09Å; Y668-M672 PolarHBondContact O-N 3.23Å; Y668-M672 VanDerWaalsContact OH-CE 3.24Å; Y668-M672 WeakPolarHBondContact OH-CE 3.46Å; Y668-C727 WeakPolarHBondContact CD2-O 3.37Å; Y668-W728 HydrophobicContact CD2-CB 4.31Å; Y668-W728 AromaticContact CD2-CD1 3.76Å; Y668-W728 HydrophobicContact CD2-CG 4.45Å; Y668-W728 HydrophobicContact CE2-CB 3.85Å; Y668-W728 AromaticContact CE2-CD1 3.62Å; Y668-W728 HydrophobicContact CE2-CG 4.08Å; Y668-W728 AromaticContact CZ-CD1 3.82Å
669	Q	95.7	Very high	93	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.1	-33.7	179.7	-70.9	-177.2	-88.3	0	0	112.9	L593 Q643 G665 D666 A671 M672 C673	L593-Q669 HydrophobicContact CB-CB 3.89Å; L593-Q669 HydrophobicContact CD2-CB 4.37Å; L593-Q669 HydrophobicContact CG-CB 4.42Å; L593-Q669 WeakPolarHBondContact O-CB 3.43Å; L593-Q669 PolarHBondContact O-NE2 3.01Å; Q643-Q669 WeakPolarHBondContact O-CG 3.47Å; G665-Q669 WeakPolarHBondContact O-CG 3.28Å; G665-Q669 PolarHBondContact O-N 3.31Å; D666-Q669 PolarHBondContact O-N 3.45Å; Q669-A671 VanDerWaalsContact C-N 3.33Å; Q669-A671 PolarHBondContact O-N 2.74Å; Q669-M672 WeakPolarHBondContact O-CB 3.35Å; Q669-M672 PolarHBondContact O-N 3.45Å; Q669-M672 VanDerWaalsContact O-N 3.17Å; Q669-C673 PolarHBondContact O-N 3.37Å; Q669-C673 PolarHBondContact O-SG 3.46Å
670	L	97.1	Very high	93.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-45.8	174.6	172.8	63.2	0	0	0	110.2	I575 V576 L593 D666 I667 Y668 M672 C673 I674 L738 I741	I575-L670 HydrophobicContact CB-CD1 4.46Å; I575-L670 HydrophobicContact CG2-CD1 3.54Å; V576-L670 HydrophobicContact CG2-CD1 4.13Å; V576-L670 HydrophobicContact CG2-CD2 4.26Å; L593-L670 HydrophobicContact CD2-CB 3.87Å; L593-L670 HydrophobicContact CD2-CD1 4.41Å; D666-L670 VanDerWaalsContact O-CB 3.23Å; D666-L670 WeakPolarHBondContact O-CB 3.47Å; D666-L670 PolarHBondContact O-N 3.07Å; I667-L670 PolarHBondContact O-N 3.2Å; Y668-L670 VanDerWaalsContact C-N 3.35Å; Y668-L670 PolarHBondContact O-N 2.87Å; L670-M672 VanDerWaalsContact C-N 3.3Å; L670-M672 PolarHBondContact O-N 3.4Å; L670-C673 WeakPolarHBondContact O-CB 3.43Å; L670-C673 PolarHBondContact O-N 2.91Å; L670-C673 VanDerWaalsContact O-N 3.15Å; L670-I674 HydrophobicContact CD1-CD1 4.12Å; L670-I674 HydrophobicContact CD1-CG1 4.33Å; L670-I674 HydrophobicContact CG-CD1 3.96Å; L670-I674 VanDerWaalsContact O-CG1 3.29Å; L670-I674 WeakPolarHBondContact O-CG1 3.29Å; L670-I674 PolarHBondContact O-N 2.85Å; L670-L738 HydrophobicContact CD2-CD1 3.54Å; L670-I741 HydrophobicContact CD2-CD1 4.14Å; L670-I741 HydrophobicContact CD2-CG2 4.29Å
671	A	95.9	Very high	94.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-34.1	175.6	0	0	0	0	0	112.7	I667 Y668 Q669 I674 Y675 I724 C727 W728	I667-A671 PolarHBondContact O-N 3.48Å; Y668-A671 PolarHBondContact O-N 3.2Å; Q669-A671 VanDerWaalsContact C-N 3.33Å; Q669-A671 PolarHBondContact O-N 2.74Å; A671-I674 PolarHBondContact O-N 2.98Å; A671-Y675 WeakPolarHBondContact O-CB 3.48Å; A671-Y675 PolarHBondContact O-N 3.4Å; A671-I724 HydrophobicContact CB-CG2 4.13Å; A671-C727 HydrophobicContact CB-CB 3.35Å; A671-W728 HydrophobicContact CB-CZ2 4.26Å
672	M	95.3	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-41.5	171.1	-67.7	-62.3	-175.8	0	0	112.1	Q643 Y668 Q669 L670 Q676 P683 F684 P708 W728	Q643-M672 HydrophobicContact CB-CB 4.3Å; Q643-M672 HydrophobicContact CB-CG 4.24Å; Y668-M672 HydrophobicContact CD1-CE 4.35Å; Y668-M672 HydrophobicContact CD1-CG 4.29Å; Y668-M672 HydrophobicContact CE1-CE 3.36Å; Y668-M672 HydrophobicContact CE1-CG 4.09Å; Y668-M672 PolarHBondContact O-N 3.23Å; Y668-M672 VanDerWaalsContact OH-CE 3.24Å; Y668-M672 WeakPolarHBondContact OH-CE 3.46Å; Q669-M672 WeakPolarHBondContact O-CB 3.35Å; Q669-M672 PolarHBondContact O-N 3.45Å; Q669-M672 VanDerWaalsContact O-N 3.17Å; L670-M672 VanDerWaalsContact C-N 3.3Å; L670-M672 PolarHBondContact O-N 3.4Å; M672-Q676 VanDerWaalsContact O-CG 3.28Å; M672-Q676 WeakPolarHBondContact O-CG 3.46Å; M672-Q676 PolarHBondContact O-N 3.36Å; M672-Q676 VanDerWaalsContact O-N 3.1Å; M672-Q676 PolarHBondContact O-NE2 3.41Å; M672-P683 HydrophobicContact CB-CG 4.48Å; M672-P683 HydrophobicContact SD-CB 3.68Å; M672-P683 HydrophobicContact SD-CG 3.79Å; M672-F684 HydrophobicContact CE-CE2 3.83Å; M672-F684 HydrophobicContact CE-CZ 3.77Å; M672-P708 HydrophobicContact CE-CG 3.8Å; M672-P708 HydrophobicContact SD-CG 3.72Å; M672-W728 HydrophobicContact SD-CZ2 3.96Å
673	C	95.6	Very high	94.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-45.1	175.8	-64.8	0	0	0	0	111.1	I575 L595 Q669 L670 Q676 I677	I575-C673 HydrophobicContact CD1-CB 4.49Å; L595-C673 HydrophobicContact CD2-CB 3.84Å; L595-C673 HydrophobicContact CG-CB 4.43Å; Q669-C673 PolarHBondContact O-N 3.37Å; Q669-C673 PolarHBondContact O-SG 3.46Å; L670-C673 WeakPolarHBondContact O-CB 3.43Å; L670-C673 PolarHBondContact O-N 2.91Å; L670-C673 VanDerWaalsContact O-N 3.15Å; C673-Q676 PolarHBondContact O-N 3.21Å; C673-I677 VanDerWaalsContact O-CG1 3.29Å; C673-I677 WeakPolarHBondContact O-CG1 3.34Å; C673-I677 PolarHBondContact O-N 3.28Å
674	I	95.6	Very high	93.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-48.8	176.7	-66.9	170.5	0	0	0	110.3	I572 L670 A671 Q676 I677 L678 I724 I741	I572-I674 HydrophobicContact CD1-CG2 4.09Å; I572-I674 HydrophobicContact CG1-CG1 4.27Å; I572-I674 HydrophobicContact CG2-CD1 4.06Å; I572-I674 HydrophobicContact CG2-CG1 3.87Å; L670-I674 HydrophobicContact CD1-CD1 4.12Å; L670-I674 HydrophobicContact CD1-CG1 4.33Å; L670-I674 HydrophobicContact CG-CD1 3.96Å; L670-I674 VanDerWaalsContact O-CG1 3.29Å; L670-I674 WeakPolarHBondContact O-CG1 3.29Å; L670-I674 PolarHBondContact O-N 2.85Å; A671-I674 PolarHBondContact O-N 2.98Å; I674-Q676 VanDerWaalsContact C-N 3.33Å; I674-Q676 PolarHBondContact O-N 3.11Å; I674-I677 PolarHBondContact O-N 2.89Å; I674-L678 HydrophobicContact CG2-CD1 3.65Å; I674-L678 HydrophobicContact CG2-CG 4.06Å; I674-L678 WeakPolarHBondContact O-CB 3.26Å; I674-L678 VanDerWaalsContact O-CG 3.26Å; I674-L678 WeakPolarHBondContact O-CG 3.22Å; I674-L678 PolarHBondContact O-N 2.81Å; I674-I724 HydrophobicContact CG2-CD1 3.57Å; I674-I724 HydrophobicContact CG2-CG1 4.06Å; I674-I741 HydrophobicContact CD1-CG2 4.18Å
675	Y	94.8	Very high	93.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-53.7	-49.4	176.7	173.3	-90.7	0	0	0	112	A671 I677 L678 F679 M681 P683 P708 K709 W728	A671-Y675 WeakPolarHBondContact O-CB 3.48Å; A671-Y675 PolarHBondContact O-N 3.4Å; Y675-I677 VanDerWaalsContact C-N 3.35Å; Y675-I677 PolarHBondContact O-N 3.46Å; Y675-L678 PolarHBondContact O-N 3.48Å; Y675-F679 AromaticContact CD2-CD2 3.35Å; Y675-F679 HydrophobicContact CD2-CD2 3.35Å; Y675-F679 AromaticContact CD2-CE2 3.66Å; Y675-F679 HydrophobicContact CD2-CE2 3.66Å; Y675-F679 HydrophobicContact CD2-CG 4.49Å; Y675-F679 AromaticContact CE2-CD2 3.58Å; Y675-F679 HydrophobicContact CE2-CD2 3.58Å; Y675-F679 HydrophobicContact CE2-CE2 4.06Å; Y675-F679 HydrophobicContact CE2-CG 4.39Å; Y675-F679 AromaticContact CG-CD2 3.93Å; Y675-F679 HydrophobicContact CG-CD2 3.93Å; Y675-F679 HydrophobicContact CG-CE2 4.47Å; Y675-F679 VanDerWaalsContact O-CD2 3.23Å; Y675-F679 WeakPolarHBondContact O-CD2 3.43Å; Y675-F679 PolarHBondContact O-N 2.64Å; Y675-M681 HydrophobicContact CE1-CB 3.94Å; Y675-M681 WeakPolarHBondContact CE1-O 3.34Å; Y675-P683 HydrophobicContact CD1-CG 4.32Å; Y675-P708 HydrophobicContact CD1-CB 4.42Å; Y675-P708 HydrophobicContact CD2-CB 4.19Å; Y675-P708 HydrophobicContact CE1-CB 4.08Å; Y675-P708 HydrophobicContact CE2-CB 3.81Å; Y675-P708 HydrophobicContact CG-CB 4.48Å; Y675-K709 WeakPolarHBondContact CE2-O 3.32Å; Y675-K709 PolarHBondContact OH-O 3.15Å; Y675-W728 AromaticContact CD2-CH2 3.76Å; Y675-W728 HydrophobicContact CD2-CH2 3.76Å; Y675-W728 HydrophobicContact CD2-CZ2 4.45Å; Y675-W728 HydrophobicContact CG-CH2 4.07Å; Y675-W728 HydrophobicContact CG-CZ2 4.31Å
676	Q	94.1	Very high	92.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-40.9	-179.8	-73.1	169.8	94	0	0	112.3	F557 L595 M672 C673 I674 Y680 M681 P683	F557-Q676 HydrophobicContact CE2-CB 4.35Å; F557-Q676 HydrophobicContact CE2-CG 4.41Å; F557-Q676 HydrophobicContact CZ-CB 4.29Å; F557-Q676 HydrophobicContact CZ-CG 4.3Å; L595-Q676 HydrophobicContact CD1-CB 3.41Å; L595-Q676 VanDerWaalsContact CD1-CB 3.41Å; L595-Q676 HydrophobicContact CD1-CG 4.21Å; L595-Q676 HydrophobicContact CG-CB 4.32Å; M672-Q676 VanDerWaalsContact O-CG 3.28Å; M672-Q676 WeakPolarHBondContact O-CG 3.46Å; M672-Q676 PolarHBondContact O-N 3.36Å; M672-Q676 VanDerWaalsContact O-N 3.1Å; M672-Q676 PolarHBondContact O-NE2 3.41Å; C673-Q676 PolarHBondContact O-N 3.21Å; I674-Q676 VanDerWaalsContact C-N 3.33Å; I674-Q676 PolarHBondContact O-N 3.11Å; Q676-Y680 WeakPolarHBondContact O-CA 3.39Å; Q676-Y680 PolarHBondContact O-N 2.87Å; Q676-M681 VanDerWaalsContact CG-O 3.3Å; Q676-M681 WeakPolarHBondContact CG-O 3.24Å; Q676-P683 HydrophobicContact CG-CG 3.92Å
677	I	94.2	Very high	92.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-41.3	177.9	-67.8	163.9	0	0	0	111.5	L552 I556 Q568 F571 I572 I575 L595 C673 I674 Y675	L552-I677 HydrophobicContact CD1-CD1 4.08Å; I556-I677 HydrophobicContact CD1-CG1 4.1Å; Q568-I677 HydrophobicContact CB-CG2 3.94Å; Q568-I677 HydrophobicContact CG-CG2 3.99Å; Q568-I677 PolarHBondContact NE2-O 3.47Å; F571-I677 HydrophobicContact CB-CD1 4.2Å; I572-I677 HydrophobicContact CD1-CG2 4.14Å; I572-I677 HydrophobicContact CG1-CB 4.4Å; I572-I677 HydrophobicContact CG1-CD1 4.09Å; I572-I677 HydrophobicContact CG1-CG2 4.05Å; I575-I677 HydrophobicContact CD1-CD1 3.58Å; L595-I677 HydrophobicContact CD2-CD1 3.94Å; L595-I677 HydrophobicContact CD2-CG1 3.96Å; C673-I677 VanDerWaalsContact O-CG1 3.29Å; C673-I677 WeakPolarHBondContact O-CG1 3.34Å; C673-I677 PolarHBondContact O-N 3.28Å; I674-I677 PolarHBondContact O-N 2.89Å; Y675-I677 VanDerWaalsContact C-N 3.35Å; Y675-I677 PolarHBondContact O-N 3.46Å
678	L	92.7	Very high	91.6	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-73.8	-40.5	-176.1	-67	-178.5	0	0	0	112.6	Q568 I572 I674 Y675 F716 L720 I724 F749	Q568-L678 PolarHBondContact NE2-O 2.83Å; I572-L678 HydrophobicContact CD1-CD2 3.54Å; I572-L678 HydrophobicContact CD1-CG 4.02Å; I674-L678 HydrophobicContact CG2-CD1 3.65Å; I674-L678 HydrophobicContact CG2-CG 4.06Å; I674-L678 WeakPolarHBondContact O-CB 3.26Å; I674-L678 VanDerWaalsContact O-CG 3.26Å; I674-L678 WeakPolarHBondContact O-CG 3.22Å; I674-L678 PolarHBondContact O-N 2.81Å; Y675-L678 PolarHBondContact O-N 3.48Å; L678-F716 HydrophobicContact CB-CE2 3.89Å; L678-F716 HydrophobicContact CB-CZ 4.02Å; L678-F716 HydrophobicContact CD1-CE2 4.47Å; L678-F716 HydrophobicContact CD2-CE1 3.79Å; L678-F716 HydrophobicContact CD2-CE2 4.31Å; L678-F716 HydrophobicContact CD2-CZ 3.67Å; L678-F716 HydrophobicContact CG-CE2 4.44Å; L678-F716 HydrophobicContact CG-CZ 4.27Å; L678-L720 HydrophobicContact CD1-CD2 3.95Å; L678-I724 HydrophobicContact CD1-CD1 3.87Å; L678-F749 HydrophobicContact CD2-CZ 3.95Å
679	F	91.8	Very high	91.1	Very high	28 Å²	28	34.4 Å²	34.4	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-108.1	-6.2	-169.2	-57.1	-64.2	0	0	0	114.3	Y675 M681 V710 P711 N714 F716 L721	Y675-F679 AromaticContact CD2-CD2 3.35Å; Y675-F679 HydrophobicContact CD2-CD2 3.35Å; Y675-F679 AromaticContact CD2-CE2 3.66Å; Y675-F679 HydrophobicContact CD2-CE2 3.66Å; Y675-F679 HydrophobicContact CD2-CG 4.49Å; Y675-F679 AromaticContact CE2-CD2 3.58Å; Y675-F679 HydrophobicContact CE2-CD2 3.58Å; Y675-F679 HydrophobicContact CE2-CE2 4.06Å; Y675-F679 HydrophobicContact CE2-CG 4.39Å; Y675-F679 AromaticContact CG-CD2 3.93Å; Y675-F679 HydrophobicContact CG-CD2 3.93Å; Y675-F679 HydrophobicContact CG-CE2 4.47Å; Y675-F679 VanDerWaalsContact O-CD2 3.23Å; Y675-F679 WeakPolarHBondContact O-CD2 3.43Å; Y675-F679 PolarHBondContact O-N 2.64Å; F679-M681 HydrophobicContact CB-CB 4.23Å; F679-M681 HydrophobicContact CB-CG 4.37Å; F679-M681 WeakPolarHBondContact O-CG 3.37Å; F679-M681 PolarHBondContact O-N 3.05Å; F679-M681 VanDerWaalsContact O-N 3.15Å; F679-V710 HydrophobicContact CE1-CG1 4.24Å; F679-V710 HydrophobicContact CE2-CG1 4.38Å; F679-V710 HydrophobicContact CZ-CG1 3.78Å; F679-P711 HydrophobicContact CB-CG 4.27Å; F679-P711 HydrophobicContact CD1-CG 3.85Å; F679-P711 HydrophobicContact CE1-CG 4.48Å; F679-P711 HydrophobicContact CG-CG 4.11Å; F679-N714 HydrophobicContact CE1-CB 3.85Å; F679-F716 HydrophobicContact CD1-CE2 4.37Å; F679-F716 AromaticContact CE1-CD2 3.81Å; F679-F716 HydrophobicContact CE1-CD2 3.81Å; F679-F716 AromaticContact CE1-CE2 3.83Å; F679-F716 HydrophobicContact CE1-CE2 3.83Å; F679-F716 HydrophobicContact CZ-CD2 4.05Å; F679-F716 HydrophobicContact CZ-CE2 4.32Å; F679-L721 HydrophobicContact CZ-CD2 3.91Å
680	Y	90.9	Very high	90.5	Very high	73 Å²	73	37 Å²	37	29%	0.286	18%	0.181	S	C	.	.	S	Bend	trans	53.1	31.5	-173.7	-62.9	-93.1	0	0	0	112.6	I556 F563 Q568 Q676	I556-Y680 HydrophobicContact CG1-CE1 4.35Å; I556-Y680 HydrophobicContact CG2-CD1 3.78Å; I556-Y680 HydrophobicContact CG2-CE1 4.33Å; F563-Y680 WeakPolarHBondContact CA-OH 2.98Å; F563-Y680 WeakPolarHBondContact CB-OH 3.12Å; F563-Y680 HydrophobicContact CD2-CE1 4.28Å; F563-Y680 PolarHBondContact N-OH 3.4Å; F563-Y680 PolarHBondContact O-OH 3.29Å; Q568-Y680 VanDerWaalsContact NE2-CE2 3.29Å; Q676-Y680 WeakPolarHBondContact O-CA 3.39Å; Q676-Y680 PolarHBondContact O-N 2.87Å
681	M	89.7	Confident	89.8	Confident	58 Å²	58	40 Å²	40	29%	0.286	20%	0.196	S	C	.	.			trans	-121.5	137.9	-176.5	-77.1	-178.2	62.2	0	0	109.8	Y675 Q676 F679 P711	Y675-M681 HydrophobicContact CE1-CB 3.94Å; Y675-M681 WeakPolarHBondContact CE1-O 3.34Å; Q676-M681 VanDerWaalsContact CG-O 3.3Å; Q676-M681 WeakPolarHBondContact CG-O 3.24Å; F679-M681 HydrophobicContact CB-CB 4.23Å; F679-M681 HydrophobicContact CB-CG 4.37Å; F679-M681 WeakPolarHBondContact O-CG 3.37Å; F679-M681 PolarHBondContact O-N 3.05Å; F679-M681 VanDerWaalsContact O-N 3.15Å; M681-P711 HydrophobicContact SD-CG 3.61Å
682	R	87.9	Confident	89.1	Confident	53 Å²	53	43.6 Å²	43.6	20%	0.2	21%	0.212	C	C	.	.			trans	-73.5	141.3	169.9	-64.8	-172.9	174.8	-92.9	2.8	109.5	E553 F557 Y639 F684 A685	E553-R682 IonicContact OE1-CZ 2.96Å; E553-R682 IonicContact OE1-NH1 3.67Å; E553-R682 PolarHBondContact OE1-NH1 3.37Å; E553-R682 IonicContact OE1-NH2 3.99Å; F557-R682 HydrophobicContact CD1-CG 3.96Å; F557-R682 HydrophobicContact CD2-CG 4.49Å; F557-R682 HydrophobicContact CE1-CG 3.57Å; F557-R682 HydrophobicContact CE2-CG 4.12Å; F557-R682 HydrophobicContact CG-CG 4.41Å; F557-R682 HydrophobicContact CZ-CG 3.65Å; Y639-R682 HydrophobicContact CE1-CB 3.74Å; Y639-R682 HydrophobicContact CE1-CG 4.34Å; Y639-R682 WeakPolarHBondContact OH-CB 3.32Å; R682-F684 PolarHBondContact O-N 2.95Å; R682-A685 VanDerWaalsContact O-CB 3.29Å; R682-A685 WeakPolarHBondContact O-CB 3.42Å; R682-A685 PolarHBondContact O-N 2.75Å
683	P	88.8	Confident	88.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	130.9	-175.8	-25.3	37.5	0	0	0	111.9	Y639 Q643 M672 Y675 Q676 A685 P708	Y639-P683 PolarHBondContact OH-O 3.03Å; Q643-P683 HydrophobicContact CG-CG 4.2Å; M672-P683 HydrophobicContact CB-CG 4.48Å; M672-P683 HydrophobicContact SD-CB 3.68Å; M672-P683 HydrophobicContact SD-CG 3.79Å; Y675-P683 HydrophobicContact CD1-CG 4.32Å; Q676-P683 HydrophobicContact CG-CG 3.92Å; P683-A685 VanDerWaalsContact C-N 3.31Å; P683-A685 PolarHBondContact O-N 3.26Å; P683-P708 HydrophobicContact CB-CG 3.87Å
684	F	89.9	Confident	88.2	Confident	4 Å²	4	49 Å²	49	2%	0.018	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.5	-178.2	-40	-79.3	0	0	0	115.1	L642 M672 R682 E686 R687 L694 L698 L706 P708	L642-F684 HydrophobicContact CB-CD2 4.27Å; L642-F684 HydrophobicContact CB-CE2 4.4Å; L642-F684 WeakPolarHBondContact O-CE2 3.28Å; M672-F684 HydrophobicContact CE-CE2 3.83Å; M672-F684 HydrophobicContact CE-CZ 3.77Å; R682-F684 PolarHBondContact O-N 2.95Å; F684-E686 VanDerWaalsContact CA-OE2 3.28Å; F684-E686 WeakPolarHBondContact CA-OE2 3.35Å; F684-E686 PolarHBondContact O-N 3.14Å; F684-E686 VanDerWaalsContact O-N 3.16Å; F684-R687 HydrophobicContact CB-CB 4.48Å; F684-R687 HydrophobicContact CB-CG 4.21Å; F684-R687 WeakPolarHBondContact O-CB 3.22Å; F684-R687 PolarHBondContact O-N 3.07Å; F684-R687 VanDerWaalsContact O-N 3.12Å; F684-L694 HydrophobicContact CB-CD2 3.53Å; F684-L694 HydrophobicContact CD2-CD2 4.13Å; F684-L694 HydrophobicContact CG-CD2 3.84Å; F684-L698 HydrophobicContact CE1-CD2 3.84Å; F684-L698 HydrophobicContact CE2-CD1 3.9Å; F684-L698 HydrophobicContact CE2-CD2 4.38Å; F684-L698 HydrophobicContact CZ-CD1 3.92Å; F684-L698 HydrophobicContact CZ-CD2 3.56Å; F684-L698 HydrophobicContact CZ-CG 4.37Å; F684-L706 HydrophobicContact CE1-CG 4.4Å; F684-P708 HydrophobicContact CD1-CG 4.35Å; F684-P708 HydrophobicContact CE1-CG 4Å; F684-P708 HydrophobicContact CE2-CG 4.29Å; F684-P708 HydrophobicContact CZ-CG 3.96Å
685	A	84.8	Confident	87.8	Confident	61 Å²	61	49 Å²	49	50%	0.504	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.8	176.5	0	0	0	0	0	114	R682 P683 R687	R682-A685 VanDerWaalsContact O-CB 3.29Å; R682-A685 WeakPolarHBondContact O-CB 3.42Å; R682-A685 PolarHBondContact O-N 2.75Å; P683-A685 VanDerWaalsContact C-N 3.31Å; P683-A685 PolarHBondContact O-N 3.26Å; A685-R687 VanDerWaalsContact C-N 3.3Å
686	E	83.9	Confident	87.4	Confident	67 Å²	67	53.3 Å²	53.3	31%	0.313	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.1	176.9	71.8	-78.9	-171.4	0	0	114.3	F684 K709	F684-E686 VanDerWaalsContact CA-OE2 3.28Å; F684-E686 WeakPolarHBondContact CA-OE2 3.35Å; F684-E686 PolarHBondContact O-N 3.14Å; F684-E686 VanDerWaalsContact O-N 3.16Å; E686-K709 HydrophobicContact CG-CB 3.96Å; E686-K709 VanDerWaalsContact OE1-CB 3.3Å; E686-K709 WeakPolarHBondContact OE1-CB 3.44Å; E686-K709 PolarHBondContact OE1-N 2.65Å
687	R	85.4	Confident	87	Confident	108 Å²	108	57 Å²	57	41%	0.408	28%	0.276	S	S	.	.			trans	-89.1	143.1	-175.5	-69	-68.1	-179.2	158.5	-5	110.8	F684 A685 E689 L694 L706	F684-R687 HydrophobicContact CB-CB 4.48Å; F684-R687 HydrophobicContact CB-CG 4.21Å; F684-R687 WeakPolarHBondContact O-CB 3.22Å; F684-R687 PolarHBondContact O-N 3.07Å; F684-R687 VanDerWaalsContact O-N 3.12Å; A685-R687 VanDerWaalsContact C-N 3.3Å; R687-E689 WeakPolarHBondContact CA-OE2 3.3Å; R687-E689 WeakPolarHBondContact CB-OE2 3.19Å; R687-E689 WeakPolarHBondContact CD-OE2 3.27Å; R687-E689 IonicContact NH1-OE1 3.9Å; R687-E689 PolarHBondContact NH1-OE1 3.34Å; R687-E689 VanDerWaalsContact NH1-OE1 3.13Å; R687-L694 HydrophobicContact CG-CD1 4.49Å; R687-L706 VanDerWaalsContact NH2-CD1 3.28Å
688	Q	84.2	Confident	86.7	Confident	194 Å²	194	57.1 Å²	57.1	91%	0.907	28%	0.277	S	S	*	.			trans	-98.1	-14.8	179.5	-65.9	-166.8	-5.2	0	0	112.5
689	E	84.5	Confident	86.4	Confident	63 Å²	63	57.7 Å²	57.7	29%	0.294	28%	0.282	S	S	.	.	S	Bend	trans	-56.2	141	175	-59.3	91.8	139.6	0	0	110.4	R687 E693 L694 L697	R687-E689 WeakPolarHBondContact CA-OE2 3.3Å; R687-E689 WeakPolarHBondContact CB-OE2 3.19Å; R687-E689 WeakPolarHBondContact CD-OE2 3.27Å; R687-E689 IonicContact NH1-OE1 3.9Å; R687-E689 PolarHBondContact NH1-OE1 3.34Å; R687-E689 VanDerWaalsContact NH1-OE1 3.13Å; E689-E693 HydrophobicContact CB-CB 4.21Å; E689-L694 HydrophobicContact CB-CB 4.48Å; E689-L697 HydrophobicContact CG-CD1 4.1Å
690	S	83.9	Confident	85.9	Confident	56 Å²	56	59 Å²	59	39%	0.392	29%	0.294	S	S	.	.			trans	-63.1	158.3	174.1	65.3	0	0	0	0	111.2	K692 E693 L694	S690-K692 PolarHBondContact O-N 2.86Å; S690-K692 VanDerWaalsContact O-N 3.13Å; S690-E693 WeakPolarHBondContact CB-OE2 3.44Å; S690-E693 PolarHBondContact N-OE2 3.28Å; S690-E693 PolarHBondContact O-N 2.86Å; S690-E693 VanDerWaalsContact O-N 3.12Å; S690-E693 WeakPolarHBondContact OG-CB 3.4Å; S690-E693 WeakPolarHBondContact OG-CG 3.27Å; S690-E693 PolarHBondContact OG-N 3Å; S690-E693 PolarHBondContact OG-OE2 2.51Å; S690-L694 WeakPolarHBondContact O-CB 3.47Å; S690-L694 PolarHBondContact O-N 3.04Å
691	I	81.8	Confident	84.9	Confident	63 Å²	63	62.6 Å²	62.6	32%	0.323	31%	0.314	S	S	.	.	H	α-helix	trans	-54.5	-38.2	-179.7	-61	170	0	0	0	111.3	I637 Y639 L642 A695	I637-I691 HydrophobicContact CB-CG2 4.39Å; I637-I691 HydrophobicContact CG2-CG2 3.98Å; I637-I691 VanDerWaalsContact O-CG2 3.24Å; I637-I691 WeakPolarHBondContact O-CG2 3.3Å; Y639-I691 HydrophobicContact CD2-CD1 4.28Å; Y639-I691 HydrophobicContact CD2-CG1 4.26Å; L642-I691 HydrophobicContact CD1-CG1 4.49Å; L642-I691 HydrophobicContact CD1-CG2 4.03Å; L642-I691 HydrophobicContact CD2-CG2 4.18Å; L642-I691 HydrophobicContact CG-CG2 4.06Å; I691-A695 WeakPolarHBondContact O-CB 3.4Å; I691-A695 PolarHBondContact O-N 3.07Å
692	K	81.5	Confident	83.7	Confident	75 Å²	75	62.9 Å²	62.9	33%	0.326	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-48.3	178.5	-174.7	176.8	-179.7	176.8	0	112.2	D635 S690 L694 A695 H696	D635-K692 IonicContact OD1-NZ 3.3Å; D635-K692 PolarHBondContact OD1-NZ 3.06Å; S690-K692 PolarHBondContact O-N 2.86Å; S690-K692 VanDerWaalsContact O-N 3.13Å; K692-L694 VanDerWaalsContact C-N 3.29Å; K692-L694 PolarHBondContact O-N 3.1Å; K692-A695 PolarHBondContact O-N 3.16Å; K692-H696 PolarHBondContact O-CD2 2.63Å; K692-H696 VanDerWaalsContact O-CD2 3.24Å; K692-H696 PolarHBondContact O-N 3.47Å
693	E	85.8	Confident	82.5	Confident	111 Å²	111	67.5 Å²	67.5	52%	0.519	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-43.2	176.5	-72.2	162.9	156.3	0	0	111	E689 S690 H696 L697	E689-E693 HydrophobicContact CB-CB 4.21Å; S690-E693 WeakPolarHBondContact CB-OE2 3.44Å; S690-E693 PolarHBondContact N-OE2 3.28Å; S690-E693 PolarHBondContact O-N 2.86Å; S690-E693 VanDerWaalsContact O-N 3.12Å; S690-E693 WeakPolarHBondContact OG-CB 3.4Å; S690-E693 WeakPolarHBondContact OG-CG 3.27Å; S690-E693 PolarHBondContact OG-N 3Å; S690-E693 PolarHBondContact OG-OE2 2.51Å; E693-H696 PolarHBondContact O-N 3.45Å; E693-L697 VanDerWaalsContact O-CG 3.32Å; E693-L697 WeakPolarHBondContact O-CG 3.34Å; E693-L697 PolarHBondContact O-N 3.15Å
694	L	86.4	Confident	81.4	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-65.9	-39.3	178.6	-170.8	63.4	0	0	0	112	L642 F684 R687 E689 S690 K692 L697 L698 L706	L642-L694 HydrophobicContact CD1-CD2 3.69Å; L642-L694 HydrophobicContact CD2-CB 4.08Å; L642-L694 HydrophobicContact CD2-CD2 4.01Å; L642-L694 HydrophobicContact CD2-CG 3.99Å; L642-L694 HydrophobicContact CG-CD2 4.41Å; F684-L694 HydrophobicContact CB-CD2 3.53Å; F684-L694 HydrophobicContact CD2-CD2 4.13Å; F684-L694 HydrophobicContact CG-CD2 3.84Å; R687-L694 HydrophobicContact CG-CD1 4.49Å; E689-L694 HydrophobicContact CB-CB 4.48Å; S690-L694 WeakPolarHBondContact O-CB 3.47Å; S690-L694 PolarHBondContact O-N 3.04Å; K692-L694 VanDerWaalsContact C-N 3.29Å; K692-L694 PolarHBondContact O-N 3.1Å; L694-L697 PolarHBondContact O-N 2.86Å; L694-L698 HydrophobicContact CG-CD1 4.21Å; L694-L698 WeakPolarHBondContact O-CB 3.48Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.49Å; L694-L698 PolarHBondContact O-N 3.25Å; L694-L706 HydrophobicContact CD1-CD2 3.64Å
695	A	86.6	Confident	80.4	Confident	2 Å²	2	73.6 Å²	73.6	2%	0.017	40%	0.401	C	S	.	.	H	α-helix	trans	-61.3	-44.1	173.3	0	0	0	0	0	111.7	L642 I649 L653 I691 K692 L698 S699	L642-A695 HydrophobicContact CD2-CB 4.18Å; I649-A695 HydrophobicContact CG2-CB 4.05Å; I649-A695 WeakPolarHBondContact CG2-O 3.18Å; L653-A695 HydrophobicContact CD1-CB 4.46Å; I691-A695 WeakPolarHBondContact O-CB 3.4Å; I691-A695 PolarHBondContact O-N 3.07Å; K692-A695 PolarHBondContact O-N 3.16Å; A695-L698 PolarHBondContact O-N 3.39Å; A695-S699 WeakPolarHBondContact O-CB 3.39Å; A695-S699 PolarHBondContact O-N 3.3Å; A695-S699 PolarHBondContact O-OG 3.17Å
696	H	86.2	Confident	80.2	Confident	89 Å²	89	72.6 Å²	72.6	41%	0.412	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-44	174.6	-80.6	-67.9	0	0	0	111.9	K692 E693 L698 S699 S700	K692-H696 PolarHBondContact O-CD2 2.63Å; K692-H696 VanDerWaalsContact O-CD2 3.24Å; K692-H696 PolarHBondContact O-N 3.47Å; E693-H696 PolarHBondContact O-N 3.45Å; H696-L698 PolarHBondContact O-N 3.05Å; H696-S699 WeakPolarHBondContact CA-OG 3.29Å; H696-S699 PolarHBondContact O-N 3.21Å; H696-S699 PolarHBondContact O-OG 3.26Å; H696-S700 WeakPolarHBondContact O-CB 3.31Å; H696-S700 PolarHBondContact O-N 3.45Å
697	L	86.7	Confident	80.3	Confident	77 Å²	77	72.7 Å²	72.7	40%	0.403	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-46.3	177.2	-74.5	167.1	0	0	0	111.9	E689 E693 L694 S699 S700 L706	E689-L697 HydrophobicContact CG-CD1 4.1Å; E693-L697 VanDerWaalsContact O-CG 3.32Å; E693-L697 WeakPolarHBondContact O-CG 3.34Å; E693-L697 PolarHBondContact O-N 3.15Å; L694-L697 PolarHBondContact O-N 2.86Å; L697-S699 VanDerWaalsContact C-N 3.3Å; L697-S699 PolarHBondContact O-N 3.39Å; L697-S700 PolarHBondContact O-N 2.75Å; L697-S700 PolarHBondContact O-OG 2.9Å; L697-L706 HydrophobicContact CB-CD2 4.09Å
698	L	87.7	Confident	80.4	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.026	37%	0.368	C	S	.	.	H	α-helix	trans	-63.5	-35.6	177.8	-72.4	168.7	0	0	0	112.4	L642 P646 I649 F684 L694 A695 H696 L706	L642-L698 HydrophobicContact CB-CD1 4.48Å; L642-L698 HydrophobicContact CD2-CD1 3.98Å; P646-L698 WeakPolarHBondContact CB-O 3.47Å; I649-L698 HydrophobicContact CD1-CB 3.92Å; I649-L698 HydrophobicContact CD1-CD1 3.96Å; F684-L698 HydrophobicContact CE1-CD2 3.84Å; F684-L698 HydrophobicContact CE2-CD1 3.9Å; F684-L698 HydrophobicContact CE2-CD2 4.38Å; F684-L698 HydrophobicContact CZ-CD1 3.92Å; F684-L698 HydrophobicContact CZ-CD2 3.56Å; F684-L698 HydrophobicContact CZ-CG 4.37Å; L694-L698 HydrophobicContact CG-CD1 4.21Å; L694-L698 WeakPolarHBondContact O-CB 3.48Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.49Å; L694-L698 PolarHBondContact O-N 3.25Å; A695-L698 PolarHBondContact O-N 3.39Å; H696-L698 PolarHBondContact O-N 3.05Å; L698-L706 HydrophobicContact CD2-CB 4.03Å; L698-L706 HydrophobicContact CD2-CD2 3.87Å; L698-L706 HydrophobicContact CD2-CG 4.12Å; L698-L706 HydrophobicContact CG-CD2 4.14Å
699	S	86.2	Confident	80.5	Confident	20 Å²	20	63.6 Å²	63.6	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-73.7	-25.5	177.7	76.4	0	0	0	0	113.6	S650 L653 A695 H696 L697 Y730	S650-S699 WeakPolarHBondContact OG-CB 3.36Å; S650-S699 PolarHBondContact OG-O 3.32Å; L653-S699 WeakPolarHBondContact CD1-OG 3.45Å; A695-S699 WeakPolarHBondContact O-CB 3.39Å; A695-S699 PolarHBondContact O-N 3.3Å; A695-S699 PolarHBondContact O-OG 3.17Å; H696-S699 WeakPolarHBondContact CA-OG 3.29Å; H696-S699 PolarHBondContact O-N 3.21Å; H696-S699 PolarHBondContact O-OG 3.26Å; L697-S699 VanDerWaalsContact C-N 3.3Å; L697-S699 PolarHBondContact O-N 3.39Å; S699-Y730 PolarHBondContact O-OH 3.48Å
700	S	81.8	Confident	80.7	Confident	54 Å²	54	61.8 Å²	61.8	38%	0.378	34%	0.341	S	S	.	.	S	Bend	trans	-79.5	137.1	-176.4	72.4	0	0	0	0	111.2	H696 L697 S702	H696-S700 WeakPolarHBondContact O-CB 3.31Å; H696-S700 PolarHBondContact O-N 3.45Å; L697-S700 PolarHBondContact O-N 2.75Å; L697-S700 PolarHBondContact O-OG 2.9Å; S700-S702 PolarHBondContact O-N 3.41Å
701	Q	69.9	Low	80.8	Confident	150 Å²	150	61 Å²	61	70%	0.701	33%	0.334	S	S	*	.			trans	-74.6	75.2	176.1	-166.9	176.2	-6.2	0	0	110.4	Y730	Q701-Y730 HydrophobicContact CB-CE1 4.09Å; Q701-Y730 HydrophobicContact CB-CE2 4.43Å; Q701-Y730 HydrophobicContact CG-CD1 4.24Å; Q701-Y730 HydrophobicContact CG-CE1 3.8Å
702	S	64	Low	80.9	Confident	63 Å²	63	65.7 Å²	65.7	44%	0.441	36%	0.355	S	S	.	.			trans	-71.5	150	173.2	178.7	0	0	0	0	111.2	S700 A704	S700-S702 PolarHBondContact O-N 3.41Å; S702-A704 PolarHBondContact O-N 2.9Å; S702-A704 PolarHBondContact OG-N 3.42Å; S702-A704 PolarHBondContact OG-O 3.15Å
703	T	61.7	Low	80.9	Confident	151 Å²	151	66.2 Å²	66.2	93%	0.926	38%	0.382	S	S	*	.	S	Bend	trans	-66.5	-22.5	172.9	50.3	0	0	0	0	112.5
704	A	67.6	Low	80.9	Confident	65 Å²	65	63.2 Å²	63.2	54%	0.537	37%	0.37	S	S	.	.	S	Bend	trans	-112.5	102.8	172.7	0	0	0	0	0	109.2	S702 L706	S702-A704 PolarHBondContact O-N 2.9Å; S702-A704 PolarHBondContact OG-N 3.42Å; S702-A704 PolarHBondContact OG-O 3.15Å; A704-L706 PolarHBondContact O-N 3.29Å
705	P	67.3	Low	80.9	Confident	68 Å²	68	67.1 Å²	67.1	44%	0.442	40%	0.397	S	S	.	.			trans	-60	123.4	-179.5	22.3	-31.7	0	0	0	110.6	H707	P705-H707 PolarHBondContact O-CD2 3.06Å
706	L	81.3	Confident	81	Confident	40 Å²	40	68.1 Å²	68.1	21%	0.209	40%	0.401	C	S	.	.			trans	-80.2	122	-177.4	-169.2	71.5	0	0	0	109.7	F684 R687 L694 L697 L698 A704	F684-L706 HydrophobicContact CE1-CG 4.4Å; R687-L706 VanDerWaalsContact NH2-CD1 3.28Å; L694-L706 HydrophobicContact CD1-CD2 3.64Å; L697-L706 HydrophobicContact CB-CD2 4.09Å; L698-L706 HydrophobicContact CD2-CB 4.03Å; L698-L706 HydrophobicContact CD2-CD2 3.87Å; L698-L706 HydrophobicContact CD2-CG 4.12Å; L698-L706 HydrophobicContact CG-CD2 4.14Å; A704-L706 PolarHBondContact O-N 3.29Å
707	H	85.4	Confident	81.2	Confident	68 Å²	68	66.8 Å²	66.8	32%	0.315	40%	0.399	S	S	.	.			trans	-140.5	161.3	176.6	62.2	69.6	0	0	0	110.5	P705 W728	P705-H707 PolarHBondContact O-CD2 3.06Å; H707-W728 HydrophobicContact CB-CB 3.99Å; H707-W728 HydrophobicContact CB-CD2 4.12Å; H707-W728 HydrophobicContact CB-CE3 3.6Å; H707-W728 HydrophobicContact CB-CG 4.33Å; H707-W728 HydrophobicContact CB-CZ3 4.32Å
708	P	88.2	Confident	81.4	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-56	140.9	179.4	-26	35.3	0	0	0	112.2	M672 Y675 P683 F684 V710 W728	M672-P708 HydrophobicContact CE-CG 3.8Å; M672-P708 HydrophobicContact SD-CG 3.72Å; Y675-P708 HydrophobicContact CD1-CB 4.42Å; Y675-P708 HydrophobicContact CD2-CB 4.19Å; Y675-P708 HydrophobicContact CE1-CB 4.08Å; Y675-P708 HydrophobicContact CE2-CB 3.81Å; Y675-P708 HydrophobicContact CG-CB 4.48Å; P683-P708 HydrophobicContact CB-CG 3.87Å; F684-P708 HydrophobicContact CD1-CG 4.35Å; F684-P708 HydrophobicContact CE1-CG 4Å; F684-P708 HydrophobicContact CE2-CG 4.29Å; F684-P708 HydrophobicContact CZ-CG 3.96Å; P708-V710 PolarHBondContact O-N 2.93Å; P708-W728 HydrophobicContact CB-CH2 4.08Å; P708-W728 HydrophobicContact CB-CZ3 4.4Å; P708-W728 HydrophobicContact CG-CH2 3.95Å; P708-W728 HydrophobicContact CG-CZ2 4.01Å; P708-W728 HydrophobicContact CG-CZ3 4.33Å
709	K	86.6	Confident	81.6	Confident	111 Å²	111	76.8 Å²	76.8	48%	0.483	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-71.3	125.2	174.4	-170.6	177.4	178.6	-175.5	0	109.7	Y675 E686 E712	Y675-K709 WeakPolarHBondContact CE2-O 3.32Å; Y675-K709 PolarHBondContact OH-O 3.15Å; E686-K709 HydrophobicContact CG-CB 3.96Å; E686-K709 VanDerWaalsContact OE1-CB 3.3Å; E686-K709 WeakPolarHBondContact OE1-CB 3.44Å; E686-K709 PolarHBondContact OE1-N 2.65Å; K709-E712 IonicContact NZ-OE1 3.77Å; K709-E712 PolarHBondContact NZ-OE1 2.81Å
710	V	87.7	Confident	81.9	Confident	25 Å²	25	75.9 Å²	75.9	15%	0.152	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-76.9	125.5	169.9	178	0	0	0	0	108.2	F679 P708 N714 L721	F679-V710 HydrophobicContact CE1-CG1 4.24Å; F679-V710 HydrophobicContact CE2-CG1 4.38Å; F679-V710 HydrophobicContact CZ-CG1 3.78Å; P708-V710 PolarHBondContact O-N 2.93Å; V710-N714 VanDerWaalsContact CG1-ND2 3.34Å; V710-N714 WeakPolarHBondContact CG1-ND2 3.3Å; V710-L721 HydrophobicContact CG1-CD1 4.33Å; V710-L721 HydrophobicContact CG1-CD2 3.97Å
711	P	86.4	Confident	82.5	Confident	39 Å²	39	74.1 Å²	74.1	25%	0.253	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-58.2	137	178.3	-25.9	35.3	0	0	0	112.6	F679 M681 N714	F679-P711 HydrophobicContact CB-CG 4.27Å; F679-P711 HydrophobicContact CD1-CG 3.85Å; F679-P711 HydrophobicContact CE1-CG 4.48Å; F679-P711 HydrophobicContact CG-CG 4.11Å; M681-P711 HydrophobicContact SD-CG 3.61Å; P711-N714 PolarHBondContact O-ND2 3.05Å
712	E	83.5	Confident	83.6	Confident	163 Å²	163	69.3 Å²	69.3	76%	0.762	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	145	175.1	-69.6	168.4	-143.5	0	0	110.3	K709	K709-E712 IonicContact NZ-OE1 3.77Å; K709-E712 PolarHBondContact NZ-OE1 2.81Å
713	G	81.6	Confident	85.1	Confident	86 Å²	86	67 Å²	67	89%	0.887	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	13.4	-180	0	0	0	0	0	115.7
714	N	86.1	Confident	86.6	Confident	48 Å²	48	60 Å²	60	26%	0.257	34%	0.342	S	S	.	.			trans	-66.6	155.2	173.7	72.1	77.7	0	0	0	112.2	F679 V710 P711 F716	F679-N714 HydrophobicContact CE1-CB 3.85Å; V710-N714 VanDerWaalsContact CG1-ND2 3.34Å; V710-N714 WeakPolarHBondContact CG1-ND2 3.3Å; P711-N714 PolarHBondContact O-ND2 3.05Å; N714-F716 HydrophobicContact CB-CD2 4.16Å; N714-F716 PolarHBondContact OD1-N 3.35Å
715	S	85.7	Confident	87.8	Confident	85 Å²	85	60.6 Å²	60.6	59%	0.594	33%	0.333	S	S	*	.			trans	-92.9	9.2	-175.7	63.3	0	0	0	0	114.5	R565	R565-S715 PolarHBondContact NH2-O 2.94Å; R565-S715 PolarHBondContact NH2-OG 3.01Å
716	F	89.7	Confident	89	Confident	24 Å²	24	61 Å²	61	11%	0.105	33%	0.33	C	S	.	.	S	Bend	trans	-91.2	149.4	-172.7	-59.3	-66.7	0	0	0	112	L678 F679 N714 L720 L721 E748	L678-F716 HydrophobicContact CB-CE2 3.89Å; L678-F716 HydrophobicContact CB-CZ 4.02Å; L678-F716 HydrophobicContact CD1-CE2 4.47Å; L678-F716 HydrophobicContact CD2-CE1 3.79Å; L678-F716 HydrophobicContact CD2-CE2 4.31Å; L678-F716 HydrophobicContact CD2-CZ 3.67Å; L678-F716 HydrophobicContact CG-CE2 4.44Å; L678-F716 HydrophobicContact CG-CZ 4.27Å; F679-F716 HydrophobicContact CD1-CE2 4.37Å; F679-F716 AromaticContact CE1-CD2 3.81Å; F679-F716 HydrophobicContact CE1-CD2 3.81Å; F679-F716 AromaticContact CE1-CE2 3.83Å; F679-F716 HydrophobicContact CE1-CE2 3.83Å; F679-F716 HydrophobicContact CZ-CD2 4.05Å; F679-F716 HydrophobicContact CZ-CE2 4.32Å; N714-F716 HydrophobicContact CB-CD2 4.16Å; N714-F716 PolarHBondContact OD1-N 3.35Å; F716-L720 HydrophobicContact CB-CD2 4.44Å; F716-L720 HydrophobicContact CD1-CD2 4.32Å; F716-L721 HydrophobicContact CB-CD2 4.17Å; F716-L721 HydrophobicContact CB-CG 4.38Å; F716-E748 WeakPolarHBondContact CA-OE1 3.25Å; F716-E748 HydrophobicContact CD1-CG 4.36Å
717	T	91	Very high	89.7	Confident	60 Å²	60	59.2 Å²	59.2	37%	0.368	32%	0.32	S	S	.	.			trans	-67.6	147.4	-179.2	69.3	0	0	0	0	112.2	R719 L720 L721 E748	T717-R719 PolarHBondContact O-N 3Å; T717-L720 PolarHBondContact O-N 2.95Å; T717-L720 PolarHBondContact OG1-N 2.78Å; T717-L721 PolarHBondContact O-N 2.82Å; T717-L721 VanDerWaalsContact O-N 3.14Å; T717-E748 WeakPolarHBondContact CB-OE2 3.47Å; T717-E748 WeakPolarHBondContact CG2-OE2 3.49Å; T717-E748 PolarHBondContact N-OE1 2.84Å; T717-E748 PolarHBondContact N-OE2 2.96Å; T717-E748 VanDerWaalsContact N-OE2 3.1Å; T717-E748 PolarHBondContact OG1-OE2 3.14Å
718	M	90.5	Very high	90.1	Very high	158 Å²	158	56.2 Å²	56.2	78%	0.778	31%	0.306	S	S	*	.	H	α-helix	trans	-54.9	-26.5	173.2	-75.4	-67.4	178.7	0	0	112.9	S722	M718-S722 WeakPolarHBondContact O-CB 3.45Å; M718-S722 PolarHBondContact O-N 2.89Å
719	R	92.1	Very high	90.3	Very high	135 Å²	135	59.3 Å²	59.3	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-48.4	175.7	-175.1	-175.1	-60.6	131.9	2.1	111.6	T717 I723	T717-R719 PolarHBondContact O-N 3Å; R719-I723 PolarHBondContact O-N 3.14Å; R719-I723 VanDerWaalsContact O-N 3.07Å
720	L	92.8	Very high	90.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-45.7	179	-179.9	63.8	0	0	0	110.7	L678 F716 T717 S722 I723 I724 A744 V745 E748	L678-L720 HydrophobicContact CD1-CD2 3.95Å; F716-L720 HydrophobicContact CB-CD2 4.44Å; F716-L720 HydrophobicContact CD1-CD2 4.32Å; T717-L720 PolarHBondContact O-N 2.95Å; T717-L720 PolarHBondContact OG1-N 2.78Å; L720-S722 VanDerWaalsContact C-N 3.33Å; L720-S722 PolarHBondContact O-N 3.35Å; L720-I723 HydrophobicContact CD1-CG2 4.25Å; L720-I723 VanDerWaalsContact O-CG2 3.25Å; L720-I723 WeakPolarHBondContact O-CG2 3.49Å; L720-I723 PolarHBondContact O-N 2.96Å; L720-I724 HydrophobicContact CD1-CD1 4.07Å; L720-I724 HydrophobicContact CD1-CG1 4.35Å; L720-I724 HydrophobicContact CG-CD1 3.85Å; L720-I724 VanDerWaalsContact O-CG1 3.26Å; L720-I724 WeakPolarHBondContact O-CG1 3.44Å; L720-I724 PolarHBondContact O-N 3.45Å; L720-A744 HydrophobicContact CD1-CB 4.48Å; L720-V745 HydrophobicContact CD1-CG2 4.14Å; L720-E748 HydrophobicContact CD2-CB 4.06Å; L720-E748 HydrophobicContact CD2-CG 3.7Å
721	L	93.2	Very high	90.6	Very high	16 Å²	16	63 Å²	63	8%	0.084	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-43	179	-60.1	179.2	0	0	0	111.7	F679 V710 F716 T717 I724 Q725	F679-L721 HydrophobicContact CZ-CD2 3.91Å; V710-L721 HydrophobicContact CG1-CD1 4.33Å; V710-L721 HydrophobicContact CG1-CD2 3.97Å; F716-L721 HydrophobicContact CB-CD2 4.17Å; F716-L721 HydrophobicContact CB-CG 4.38Å; T717-L721 PolarHBondContact O-N 2.82Å; T717-L721 VanDerWaalsContact O-N 3.14Å; L721-I724 PolarHBondContact O-N 3.04Å; L721-Q725 WeakPolarHBondContact O-CG 3.49Å; L721-Q725 PolarHBondContact O-N 3.34Å
722	S	93.4	Very high	90.9	Very high	49 Å²	49	63.3 Å²	63.3	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-42.6	177.6	-175.9	0	0	0	0	112.1	M718 L720 Q725 Q726	M718-S722 WeakPolarHBondContact O-CB 3.45Å; M718-S722 PolarHBondContact O-N 2.89Å; L720-S722 VanDerWaalsContact C-N 3.33Å; L720-S722 PolarHBondContact O-N 3.35Å; S722-Q725 PolarHBondContact O-N 2.96Å; S722-Q726 VanDerWaalsContact O-CG 3.26Å; S722-Q726 WeakPolarHBondContact O-CG 3.46Å; S722-Q726 PolarHBondContact O-N 2.82Å; S722-Q726 PolarHBondContact OG-NE2 3.31Å; S722-Q726 VanDerWaalsContact OG-NE2 3.12Å
723	I	94.8	Very high	91.4	Very high	15 Å²	15	60.4 Å²	60.4	8%	0.077	34%	0.341	C	S	.	.	H	α-helix	trans	-67.8	-37.4	179.2	-156.2	67.3	0	0	0	111.7	R719 L720 Q726 C727 P736 K740 I741 A744	R719-I723 PolarHBondContact O-N 3.14Å; R719-I723 VanDerWaalsContact O-N 3.07Å; L720-I723 HydrophobicContact CD1-CG2 4.25Å; L720-I723 VanDerWaalsContact O-CG2 3.25Å; L720-I723 WeakPolarHBondContact O-CG2 3.49Å; L720-I723 PolarHBondContact O-N 2.96Å; I723-Q726 PolarHBondContact O-N 3.42Å; I723-C727 PolarHBondContact O-N 2.79Å; I723-C727 PolarHBondContact O-SG 3.04Å; I723-P736 HydrophobicContact CD1-CB 3.79Å; I723-P736 HydrophobicContact CD1-CG 3.98Å; I723-P736 HydrophobicContact CG1-CG 4.29Å; I723-K740 HydrophobicContact CD1-CB 4.13Å; I723-I741 HydrophobicContact CG1-CG1 4.13Å; I723-A744 HydrophobicContact CB-CB 4.2Å; I723-A744 HydrophobicContact CG1-CB 4.48Å; I723-A744 HydrophobicContact CG2-CB 3.54Å
724	I	93.2	Very high	91.9	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-47.4	175.7	-68.6	167.2	0	0	0	109.5	A671 I674 L678 L720 L721 Q726 C727 W728	A671-I724 HydrophobicContact CB-CG2 4.13Å; I674-I724 HydrophobicContact CG2-CD1 3.57Å; I674-I724 HydrophobicContact CG2-CG1 4.06Å; L678-I724 HydrophobicContact CD1-CD1 3.87Å; L720-I724 HydrophobicContact CD1-CD1 4.07Å; L720-I724 HydrophobicContact CD1-CG1 4.35Å; L720-I724 HydrophobicContact CG-CD1 3.85Å; L720-I724 VanDerWaalsContact O-CG1 3.26Å; L720-I724 WeakPolarHBondContact O-CG1 3.44Å; L720-I724 PolarHBondContact O-N 3.45Å; L721-I724 PolarHBondContact O-N 3.04Å; I724-Q726 VanDerWaalsContact C-N 3.33Å; I724-Q726 PolarHBondContact O-N 2.78Å; I724-C727 VanDerWaalsContact O-CB 3.29Å; I724-C727 WeakPolarHBondContact O-CB 3.29Å; I724-C727 PolarHBondContact O-N 2.88Å; I724-C727 VanDerWaalsContact O-N 3.11Å; I724-W728 HydrophobicContact CG2-CE3 4.42Å; I724-W728 HydrophobicContact CG2-CH2 3.54Å; I724-W728 HydrophobicContact CG2-CZ2 3.73Å; I724-W728 HydrophobicContact CG2-CZ3 3.91Å
725	Q	93	Very high	92.4	Very high	76 Å²	76	57.5 Å²	57.5	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-36.9	177.7	-72.9	174.5	-21.3	0	0	112.9	L721 S722 C727 W728	L721-Q725 WeakPolarHBondContact O-CG 3.49Å; L721-Q725 PolarHBondContact O-N 3.34Å; S722-Q725 PolarHBondContact O-N 2.96Å; Q725-C727 PolarHBondContact O-N 2.77Å; Q725-W728 HydrophobicContact CG-CE3 4.37Å; Q725-W728 HydrophobicContact CG-CZ3 4.34Å; Q725-W728 PolarHBondContact O-N 2.86Å
726	Q	93.9	Very high	92.9	Very high	77 Å²	77	54 Å²	54	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-27.1	175.2	-73.2	171.7	40.6	0	0	113	S722 I723 I724 W728 L729 P736	S722-Q726 VanDerWaalsContact O-CG 3.26Å; S722-Q726 WeakPolarHBondContact O-CG 3.46Å; S722-Q726 PolarHBondContact O-N 2.82Å; S722-Q726 PolarHBondContact OG-NE2 3.31Å; S722-Q726 VanDerWaalsContact OG-NE2 3.12Å; I723-Q726 PolarHBondContact O-N 3.42Å; I724-Q726 VanDerWaalsContact C-N 3.33Å; I724-Q726 PolarHBondContact O-N 2.78Å; Q726-W728 PolarHBondContact O-N 2.88Å; Q726-L729 HydrophobicContact CB-CD1 4.47Å; Q726-L729 WeakPolarHBondContact O-CD1 3.45Å; Q726-L729 VanDerWaalsContact O-CG 3.29Å; Q726-L729 WeakPolarHBondContact O-CG 3.38Å; Q726-L729 PolarHBondContact O-N 2.88Å; Q726-P736 HydrophobicContact CB-CG 4.2Å; Q726-P736 WeakPolarHBondContact O-CD 3.43Å
727	C	95.3	Very high	93.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-23.3	174	-60.1	0	0	0	0	112.5	I667 Y668 A671 I723 I724 Q725 L729 R735 P736 I741	I667-C727 HydrophobicContact CG2-CB 3.98Å; Y668-C727 WeakPolarHBondContact CD2-O 3.37Å; A671-C727 HydrophobicContact CB-CB 3.35Å; I723-C727 PolarHBondContact O-N 2.79Å; I723-C727 PolarHBondContact O-SG 3.04Å; I724-C727 VanDerWaalsContact O-CB 3.29Å; I724-C727 WeakPolarHBondContact O-CB 3.29Å; I724-C727 PolarHBondContact O-N 2.88Å; I724-C727 VanDerWaalsContact O-N 3.11Å; Q725-C727 PolarHBondContact O-N 2.77Å; C727-L729 VanDerWaalsContact C-N 3.34Å; C727-R735 VanDerWaalsContact O-CD 3.29Å; C727-R735 WeakPolarHBondContact O-CD 3.44Å; C727-P736 VanDerWaalsContact SG-CG 3.58Å; C727-I741 VanDerWaalsContact SG-CD1 3.55Å
728	W	93.3	Very high	93.4	Very high	6 Å²	6	53.6 Å²	53.6	2%	0.023	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	10.4	179.4	-58.6	-38.7	0	0	0	114.2	Y668 A671 M672 Y675 H707 P708 I724 Q725 Q726 Y730	Y668-W728 HydrophobicContact CD2-CB 4.31Å; Y668-W728 AromaticContact CD2-CD1 3.76Å; Y668-W728 HydrophobicContact CD2-CG 4.45Å; Y668-W728 HydrophobicContact CE2-CB 3.85Å; Y668-W728 AromaticContact CE2-CD1 3.62Å; Y668-W728 HydrophobicContact CE2-CG 4.08Å; Y668-W728 AromaticContact CZ-CD1 3.82Å; A671-W728 HydrophobicContact CB-CZ2 4.26Å; M672-W728 HydrophobicContact SD-CZ2 3.96Å; Y675-W728 AromaticContact CD2-CH2 3.76Å; Y675-W728 HydrophobicContact CD2-CH2 3.76Å; Y675-W728 HydrophobicContact CD2-CZ2 4.45Å; Y675-W728 HydrophobicContact CG-CH2 4.07Å; Y675-W728 HydrophobicContact CG-CZ2 4.31Å; H707-W728 HydrophobicContact CB-CB 3.99Å; H707-W728 HydrophobicContact CB-CD2 4.12Å; H707-W728 HydrophobicContact CB-CE3 3.6Å; H707-W728 HydrophobicContact CB-CG 4.33Å; H707-W728 HydrophobicContact CB-CZ3 4.32Å; P708-W728 HydrophobicContact CB-CH2 4.08Å; P708-W728 HydrophobicContact CB-CZ3 4.4Å; P708-W728 HydrophobicContact CG-CH2 3.95Å; P708-W728 HydrophobicContact CG-CZ2 4.01Å; P708-W728 HydrophobicContact CG-CZ3 4.33Å; I724-W728 HydrophobicContact CG2-CE3 4.42Å; I724-W728 HydrophobicContact CG2-CH2 3.54Å; I724-W728 HydrophobicContact CG2-CZ2 3.73Å; I724-W728 HydrophobicContact CG2-CZ3 3.91Å; Q725-W728 HydrophobicContact CG-CE3 4.37Å; Q725-W728 HydrophobicContact CG-CZ3 4.34Å; Q725-W728 PolarHBondContact O-N 2.86Å; Q726-W728 PolarHBondContact O-N 2.88Å; W728-Y730 PolarHBondContact O-N 3.26Å
729	L	91.7	Very high	93.6	Very high	65 Å²	65	51.7 Å²	51.7	34%	0.34	28%	0.283	S	S	.	.			trans	-59.7	136.8	173.6	-71.6	172.1	0	0	0	111	Q726 C727 K731 A734 R735	Q726-L729 HydrophobicContact CB-CD1 4.47Å; Q726-L729 WeakPolarHBondContact O-CD1 3.45Å; Q726-L729 VanDerWaalsContact O-CG 3.29Å; Q726-L729 WeakPolarHBondContact O-CG 3.38Å; Q726-L729 PolarHBondContact O-N 2.88Å; C727-L729 VanDerWaalsContact C-N 3.34Å; L729-K731 PolarHBondContact O-N 2.97Å; L729-A734 HydrophobicContact CB-CB 4.48Å; L729-A734 HydrophobicContact CD1-CB 4.07Å; L729-A734 WeakPolarHBondContact CD1-O 3.42Å; L729-R735 HydrophobicContact CB-CG 4.43Å; L729-R735 PolarHBondContact O-NE 2.83Å; L729-R735 PolarHBondContact O-NH2 3.25Å
730	Y	90	Very high	93.7	Very high	71 Å²	71	51.5 Å²	51.5	28%	0.278	29%	0.286	S	S	.	.	S	Bend	trans	-58.7	-46.2	-177.3	-176.1	-92.6	0	0	0	112.1	P646 S699 Q701 W728 P732 R735	P646-Y730 HydrophobicContact CB-CD2 3.74Å; P646-Y730 HydrophobicContact CB-CE2 3.75Å; P646-Y730 HydrophobicContact CG-CD2 4.05Å; S699-Y730 PolarHBondContact O-OH 3.48Å; Q701-Y730 HydrophobicContact CB-CE1 4.09Å; Q701-Y730 HydrophobicContact CB-CE2 4.43Å; Q701-Y730 HydrophobicContact CG-CD1 4.24Å; Q701-Y730 HydrophobicContact CG-CE1 3.8Å; W728-Y730 PolarHBondContact O-N 3.26Å; Y730-P732 WeakPolarHBondContact O-CD 3.42Å; Y730-R735 PolarHBondContact O-NH2 3.09Å
731	K	90.6	Very high	93.8	Very high	142 Å²	142	51.5 Å²	51.5	62%	0.617	29%	0.286	S	S	*	.	S	Bend	trans	-74	118.7	178.2	-70.8	-174.6	178.8	-178.7	0	110.5	L729 A733 A734	L729-K731 PolarHBondContact O-N 2.97Å; K731-A733 PolarHBondContact O-N 3.5Å; K731-A734 HydrophobicContact CB-CB 4.01Å; K731-A734 WeakPolarHBondContact O-CB 3.42Å; K731-A734 PolarHBondContact O-N 2.92Å
732	P	93.5	Very high	93.8	Very high	46 Å²	46	52.1 Å²	52.1	30%	0.299	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-56.9	-45.5	-176.4	-27	35.4	0	0	0	113.7	E647 E664 Y730 A734 R735	E647-P732 HydrophobicContact CG-CG 4.11Å; E664-P732 HydrophobicContact CB-CB 3.72Å; E664-P732 HydrophobicContact CG-CB 4.04Å; Y730-P732 WeakPolarHBondContact O-CD 3.42Å; P732-A734 PolarHBondContact O-N 2.7Å; P732-A734 VanDerWaalsContact O-N 3.14Å; P732-R735 WeakPolarHBondContact O-CB 3.27Å; P732-R735 WeakPolarHBondContact O-CG 3.29Å; P732-R735 PolarHBondContact O-N 2.98Å; P732-R735 VanDerWaalsContact O-N 3.11Å
733	A	93.4	Very high	93.8	Very high	101 Å²	101	53.5 Å²	53.5	84%	0.835	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-67.1	-12.7	179.7	0	0	0	0	0	114.5	K731	K731-A733 PolarHBondContact O-N 3.5Å
734	A	93.9	Very high	93.8	Very high	54 Å²	54	53.1 Å²	53.1	45%	0.446	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-87.6	-9.7	176.4	0	0	0	0	0	112.8	L729 K731 P732	L729-A734 HydrophobicContact CB-CB 4.48Å; L729-A734 HydrophobicContact CD1-CB 4.07Å; L729-A734 WeakPolarHBondContact CD1-O 3.42Å; K731-A734 HydrophobicContact CB-CB 4.01Å; K731-A734 WeakPolarHBondContact O-CB 3.42Å; K731-A734 PolarHBondContact O-N 2.92Å; P732-A734 PolarHBondContact O-N 2.7Å; P732-A734 VanDerWaalsContact O-N 3.14Å
735	R	95.6	Very high	93.7	Very high	19 Å²	19	53 Å²	53	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	-70.3	148.6	178.6	-62.4	176	-168.6	148.3	10.4	110.2	E647 E664 I667 C727 L729 Y730 P732	E647-R735 IonicContact OE1-CZ 3.86Å; E647-R735 IonicContact OE1-NH1 3.68Å; E647-R735 PolarHBondContact OE1-NH1 3.23Å; E647-R735 IonicContact OE1-NH2 2.86Å; E647-R735 PolarHBondContact OE1-NH2 3.43Å; E647-R735 IonicContact OE2-CZ 2.78Å; E647-R735 IonicContact OE2-NH1 3.83Å; E647-R735 IonicContact OE2-NH2 2.85Å; E647-R735 PolarHBondContact OE2-NH2 3.11Å; E664-R735 VanDerWaalsContact C-NH1 3.27Å; E664-R735 WeakPolarHBondContact O-CD 3.5Å; E664-R735 PolarHBondContact O-NH1 3.5Å; I667-R735 HydrophobicContact CG2-CB 4.2Å; C727-R735 VanDerWaalsContact O-CD 3.29Å; C727-R735 WeakPolarHBondContact O-CD 3.44Å; L729-R735 HydrophobicContact CB-CG 4.43Å; L729-R735 PolarHBondContact O-NE 2.83Å; L729-R735 PolarHBondContact O-NH2 3.25Å; Y730-R735 PolarHBondContact O-NH2 3.09Å; P732-R735 WeakPolarHBondContact O-CB 3.27Å; P732-R735 WeakPolarHBondContact O-CG 3.29Å; P732-R735 PolarHBondContact O-N 2.98Å; P732-R735 VanDerWaalsContact O-N 3.11Å
736	P	95.9	Very high	93.5	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.071	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-69.6	148.8	-177.7	28.7	-34	0	0	0	111.6	I723 Q726 C727 K740 I741	I723-P736 HydrophobicContact CD1-CB 3.79Å; I723-P736 HydrophobicContact CD1-CG 3.98Å; I723-P736 HydrophobicContact CG1-CG 4.29Å; Q726-P736 HydrophobicContact CB-CG 4.2Å; Q726-P736 WeakPolarHBondContact O-CD 3.43Å; C727-P736 VanDerWaalsContact SG-CG 3.58Å; P736-K740 HydrophobicContact CB-CB 4.43Å; P736-K740 HydrophobicContact CB-CD 4.46Å; P736-I741 HydrophobicContact CG-CD1 4.27Å; P736-I741 HydrophobicContact CG-CG1 4.13Å
737	A	95.1	Very high	93.3	Very high	61 Å²	61	56.3 Å²	56.3	50%	0.504	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-65.2	147	169	0	0	0	0	0	111	I739 K740	A737-I739 PolarHBondContact O-N 2.76Å; A737-K740 PolarHBondContact O-N 2.97Å
738	L	95.5	Very high	93	Very high	15 Å²	15	57 Å²	57	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-52.7	-33.4	-176.9	-172.9	62.7	0	0	0	113.8	V576 I579 N580 I667 L670 K740 I741 T742	V576-L738 HydrophobicContact CG1-CD1 4.24Å; I579-L738 HydrophobicContact CG2-CD1 4.32Å; I579-L738 HydrophobicContact CG2-CD2 4Å; N580-L738 VanDerWaalsContact CA-CD2 3.47Å; N580-L738 HydrophobicContact CB-CD2 3.58Å; I667-L738 HydrophobicContact CD1-CB 4.08Å; I667-L738 HydrophobicContact CD1-CD1 3.96Å; L670-L738 HydrophobicContact CD2-CD1 3.54Å; L738-K740 VanDerWaalsContact C-N 3.33Å; L738-K740 PolarHBondContact O-N 2.86Å; L738-I741 HydrophobicContact CD1-CD1 4.47Å; L738-I741 PolarHBondContact O-N 3.19Å; L738-T742 PolarHBondContact O-N 3.13Å; L738-T742 PolarHBondContact O-OG1 3.17Å
739	I	95.1	Very high	92.6	Very high	118 Å²	118	57 Å²	57	61%	0.605	31%	0.306	S	S	*	.	H	α-helix	trans	-58.7	-42.8	177.6	-63.1	167.1	0	0	0	111.2	A737 I741 T742 D743	A737-I739 PolarHBondContact O-N 2.76Å; I739-I741 VanDerWaalsContact C-N 3.32Å; I739-I741 PolarHBondContact O-N 2.9Å; I739-T742 WeakPolarHBondContact O-CB 3.48Å; I739-T742 PolarHBondContact O-N 2.81Å; I739-D743 VanDerWaalsContact O-CG 3.32Å; I739-D743 PolarHBondContact O-N 2.97Å
740	K	95.5	Very high	91.5	Very high	131 Å²	131	56.6 Å²	56.6	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-35.5	179.1	-67.1	-174.6	176.9	-179.8	0	112.4	I723 P736 A737 L738 A744	I723-K740 HydrophobicContact CD1-CB 4.13Å; P736-K740 HydrophobicContact CB-CB 4.43Å; P736-K740 HydrophobicContact CB-CD 4.46Å; A737-K740 PolarHBondContact O-N 2.97Å; L738-K740 VanDerWaalsContact C-N 3.33Å; L738-K740 PolarHBondContact O-N 2.86Å; K740-A744 WeakPolarHBondContact O-CB 3.48Å; K740-A744 PolarHBondContact O-N 2.79Å; K740-A744 VanDerWaalsContact O-N 3.09Å
741	I	95.2	Very high	90	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-67.6	-45.7	176.5	-53.8	171.4	0	0	0	109.2	I667 L670 I674 I723 C727 P736 L738 I739 D743 A744 V745	I667-I741 HydrophobicContact CD1-CD1 4.04Å; I667-I741 HydrophobicContact CG2-CD1 3.75Å; L670-I741 HydrophobicContact CD2-CD1 4.14Å; L670-I741 HydrophobicContact CD2-CG2 4.29Å; I674-I741 HydrophobicContact CD1-CG2 4.18Å; I723-I741 HydrophobicContact CG1-CG1 4.13Å; C727-I741 VanDerWaalsContact SG-CD1 3.55Å; P736-I741 HydrophobicContact CG-CD1 4.27Å; P736-I741 HydrophobicContact CG-CG1 4.13Å; L738-I741 HydrophobicContact CD1-CD1 4.47Å; L738-I741 PolarHBondContact O-N 3.19Å; I739-I741 VanDerWaalsContact C-N 3.32Å; I739-I741 PolarHBondContact O-N 2.9Å; I741-D743 VanDerWaalsContact C-N 3.33Å; I741-D743 PolarHBondContact O-N 2.84Å; I741-A744 PolarHBondContact O-N 3.33Å; I741-V745 WeakPolarHBondContact O-CG2 3.27Å; I741-V745 PolarHBondContact O-N 2.85Å
742	T	93.2	Very high	88.3	Confident	28 Å²	28	60.9 Å²	60.9	17%	0.172	35%	0.347	C	S	.	.	H	α-helix	trans	-57.2	-46.6	176.6	-51.4	0	0	0	0	111.2	V576 L738 I739 A744 V745 N746	V576-T742 HydrophobicContact CG1-CG2 4.11Å; V576-T742 WeakPolarHBondContact CG1-OG1 3.32Å; L738-T742 PolarHBondContact O-N 3.13Å; L738-T742 PolarHBondContact O-OG1 3.17Å; I739-T742 WeakPolarHBondContact O-CB 3.48Å; I739-T742 PolarHBondContact O-N 2.81Å; T742-A744 PolarHBondContact O-N 2.99Å; T742-V745 PolarHBondContact O-N 3.22Å; T742-N746 WeakPolarHBondContact O-CB 3.38Å; T742-N746 VanDerWaalsContact O-CG 3.3Å; T742-N746 PolarHBondContact O-N 3.5Å; T742-N746 PolarHBondContact O-ND2 2.59Å
743	D	93.3	Very high	86.4	Confident	79 Å²	79	62 Å²	62	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-41.8	177.5	-72.1	-19.4	0	0	0	112.6	I739 I741 N746 R747	I739-D743 VanDerWaalsContact O-CG 3.32Å; I739-D743 PolarHBondContact O-N 2.97Å; I741-D743 VanDerWaalsContact C-N 3.33Å; I741-D743 PolarHBondContact O-N 2.84Å; D743-N746 PolarHBondContact O-N 3.02Å; D743-R747 WeakPolarHBondContact O-CB 3.4Å; D743-R747 VanDerWaalsContact O-CG 3.3Å; D743-R747 WeakPolarHBondContact O-CG 3.43Å; D743-R747 PolarHBondContact O-N 2.9Å
744	A	93.1	Very high	84.2	Confident	6 Å²	6	66.6 Å²	66.6	5%	0.05	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-44.5	178	0	0	0	0	0	111.9	L720 I723 K740 I741 T742 R747 E748	L720-A744 HydrophobicContact CD1-CB 4.48Å; I723-A744 HydrophobicContact CB-CB 4.2Å; I723-A744 HydrophobicContact CG1-CB 4.48Å; I723-A744 HydrophobicContact CG2-CB 3.54Å; K740-A744 WeakPolarHBondContact O-CB 3.48Å; K740-A744 PolarHBondContact O-N 2.79Å; K740-A744 VanDerWaalsContact O-N 3.09Å; I741-A744 PolarHBondContact O-N 3.33Å; T742-A744 PolarHBondContact O-N 2.99Å; A744-R747 PolarHBondContact O-N 2.89Å; A744-E748 PolarHBondContact O-N 3.27Å
745	V	91.9	Very high	82.5	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-61.5	-47.5	175.5	170	0	0	0	0	110.6	I572 K573 L720 I741 T742 R747 E748 F749	I572-V745 HydrophobicContact CB-CG1 4.48Å; I572-V745 HydrophobicContact CG2-CB 4.38Å; I572-V745 HydrophobicContact CG2-CG1 3.71Å; I572-V745 HydrophobicContact CG2-CG2 3.69Å; K573-V745 HydrophobicContact CG-CG1 4.01Å; L720-V745 HydrophobicContact CD1-CG2 4.14Å; I741-V745 WeakPolarHBondContact O-CG2 3.27Å; I741-V745 PolarHBondContact O-N 2.85Å; T742-V745 PolarHBondContact O-N 3.22Å; V745-R747 VanDerWaalsContact C-N 3.29Å; V745-R747 PolarHBondContact O-N 2.83Å; V745-E748 PolarHBondContact O-N 3.41Å; V745-F749 HydrophobicContact CG1-CD2 3.93Å; V745-F749 HydrophobicContact CG1-CE2 4.18Å; V745-F749 VanDerWaalsContact O-CD2 3.23Å; V745-F749 WeakPolarHBondContact O-CD2 3.48Å; V745-F749 PolarHBondContact O-N 3.34Å
746	N	89.4	Confident	80.9	Confident	64 Å²	64	68.8 Å²	68.8	34%	0.342	37%	0.372	S	S	.	.	H	α-helix	trans	-63.3	-35.8	-179.3	-76	-23.8	0	0	0	112.5	K573 T742 D743 G750	K573-N746 WeakPolarHBondContact CE-OD1 3.48Å; T742-N746 WeakPolarHBondContact O-CB 3.38Å; T742-N746 VanDerWaalsContact O-CG 3.3Å; T742-N746 PolarHBondContact O-N 3.5Å; T742-N746 PolarHBondContact O-ND2 2.59Å; D743-N746 PolarHBondContact O-N 3.02Å; N746-G750 WeakPolarHBondContact O-CA 3.07Å; N746-G750 PolarHBondContact O-N 3.31Å
747	R	89.2	Confident	79.5	Confident	160 Å²	160	71.2 Å²	71.2	60%	0.604	38%	0.384	S	S	*	.	H	α-helix	trans	-74.6	-32.8	176.4	-71.8	-179.5	-175.3	-170.8	3.1	113.5	D743 A744 V745	D743-R747 WeakPolarHBondContact O-CB 3.4Å; D743-R747 VanDerWaalsContact O-CG 3.3Å; D743-R747 WeakPolarHBondContact O-CG 3.43Å; D743-R747 PolarHBondContact O-N 2.9Å; A744-R747 PolarHBondContact O-N 2.89Å; V745-R747 VanDerWaalsContact C-N 3.29Å; V745-R747 PolarHBondContact O-N 2.83Å
748	E	89.1	Confident	78.2	Confident	16 Å²	16	73.3 Å²	73.3	8%	0.075	39%	0.386	C	S	.	.	H	α-helix	trans	-64.3	-43.7	175.5	-174.9	70.2	-158	0	0	111.3	R565 F716 T717 L720 A744 V745	R565-E748 IonicContact NH2-OE1 3.18Å; F716-E748 WeakPolarHBondContact CA-OE1 3.25Å; F716-E748 HydrophobicContact CD1-CG 4.36Å; T717-E748 WeakPolarHBondContact CB-OE2 3.47Å; T717-E748 WeakPolarHBondContact CG2-OE2 3.49Å; T717-E748 PolarHBondContact N-OE1 2.84Å; T717-E748 PolarHBondContact N-OE2 2.96Å; T717-E748 VanDerWaalsContact N-OE2 3.1Å; T717-E748 PolarHBondContact OG1-OE2 3.14Å; L720-E748 HydrophobicContact CD2-CB 4.06Å; L720-E748 HydrophobicContact CD2-CG 3.7Å; A744-E748 PolarHBondContact O-N 3.27Å; V745-E748 PolarHBondContact O-N 3.41Å
749	F	84.8	Confident	77	Confident	7 Å²	7	76.5 Å²	76.5	3%	0.031	40%	0.403	C	S	.	.	H	α-helix	trans	-104.2	0.5	-171.6	-59.1	-70.1	0	0	0	114.3	R565 S569 I572 L678 V745 Q751	R565-F749 HydrophobicContact CG-CE1 4.42Å; S569-F749 VanDerWaalsContact CB-CG 3.45Å; S569-F749 WeakPolarHBondContact OG-CB 3.47Å; S569-F749 WeakPolarHBondContact OG-CD2 3.18Å; S569-F749 WeakPolarHBondContact OG-CG 3.24Å; I572-F749 HydrophobicContact CD1-CE2 4.13Å; I572-F749 HydrophobicContact CD1-CZ 4.22Å; L678-F749 HydrophobicContact CD2-CZ 3.95Å; V745-F749 HydrophobicContact CG1-CD2 3.93Å; V745-F749 HydrophobicContact CG1-CE2 4.18Å; V745-F749 VanDerWaalsContact O-CD2 3.23Å; V745-F749 WeakPolarHBondContact O-CD2 3.48Å; V745-F749 PolarHBondContact O-N 3.34Å; F749-Q751 PolarHBondContact O-N 3.16Å
750	G	69.4	Low	75.7	Confident	56 Å²	56	73 Å²	73	58%	0.577	38%	0.384	S	S	*	.	S	Bend	trans	-77.7	-15.7	-170.5	0	0	0	0	0	115.7	N746	N746-G750 WeakPolarHBondContact O-CA 3.07Å; N746-G750 PolarHBondContact O-N 3.31Å
751	Q	57.7	Low	74.4	Confident	175 Å²	175	68.6 Å²	68.6	82%	0.818	37%	0.366	S	S	*	.	S	Bend	trans	-106.3	-22.1	-171.2	-76.1	-176.9	-34.4	0	0	115.6	F749	F749-Q751 PolarHBondContact O-N 3.16Å
752	D	54.1	Low	73.3	Confident	128 Å²	128	72.4 Å²	72.4	68%	0.684	39%	0.386	S	S	*	.			trans	-130.6	12.8	-162.2	-69.8	-43.9	0	0	0	116.8	K754	D752-K754 VanDerWaalsContact C-N 3.28Å; D752-K754 PolarHBondContact O-N 2.86Å
753	V	54	Low	72.2	Confident	70 Å²	70	78 Å²	78	42%	0.424	41%	0.41	S	S	.	.			trans	-82	77.4	179.8	179	0	0	0	0	110.2	N566	N566-V753 HydrophobicContact CB-CG1 3.95Å; N566-V753 WeakPolarHBondContact OD1-CG1 3.42Å
754	K	48.3	Very low	71.1	Confident	197 Å²	197	76 Å²	76	86%	0.857	40%	0.398	S	S	*	.			trans	-75.8	131.1	163.4	-71.8	-176	178.6	178.8	0	108.8	N566 D752	N566-K754 PolarHBondContact ND2-O 3.17Å; D752-K754 VanDerWaalsContact C-N 3.28Å; D752-K754 PolarHBondContact O-N 2.86Å
755	G	56.8	Low	70.1	Confident	44 Å²	44	80 Å²	80	45%	0.454	42%	0.418	S	S	.	.	S	Bend	trans	104.2	136.5	180	0	0	0	0	0	112.5
756	T	62.6	Low	69.4	Low	75 Å²	75	84.8 Å²	84.8	46%	0.46	44%	0.444	S	S	.	.			trans	-76.2	151.2	174.6	65.1	0	0	0	0	109	I758 D759	T756-I758 PolarHBondContact O-N 3.02Å; T756-D759 PolarHBondContact N-OD2 3.2Å; T756-D759 PolarHBondContact O-N 3.29Å; T756-D759 VanDerWaalsContact OG1-CG 3.28Å; T756-D759 PolarHBondContact OG1-OD2 2.93Å
757	L	67	Low	68.6	Low	61 Å²	61	87.7 Å²	87.7	32%	0.319	46%	0.455	S	S	.	.	H	α-helix	trans	-51.2	-31	172.1	-85.3	150.3	0	0	0	111.8	F567 T570 D759 Q760 M761	F567-L757 HydrophobicContact CD1-CD2 3.48Å; F567-L757 VanDerWaalsContact CD1-CD2 3.48Å; F567-L757 HydrophobicContact CE1-CD2 3.47Å; F567-L757 VanDerWaalsContact CE1-CD2 3.47Å; F567-L757 HydrophobicContact CG-CD2 4.1Å; F567-L757 HydrophobicContact CZ-CD2 4.12Å; T570-L757 HydrophobicContact CG2-CD1 3.82Å; T570-L757 HydrophobicContact CG2-CD2 4.26Å; L757-D759 VanDerWaalsContact C-N 3.33Å; L757-D759 PolarHBondContact O-N 2.88Å; L757-Q760 PolarHBondContact O-N 2.95Å; L757-M761 VanDerWaalsContact O-CG 3.27Å; L757-M761 WeakPolarHBondContact O-CG 3.34Å; L757-M761 PolarHBondContact O-N 3.2Å; L757-M761 VanDerWaalsContact O-N 3.1Å
758	I	68	Low	67.8	Low	105 Å²	105	87.3 Å²	87.3	54%	0.538	46%	0.455	S	S	.	.	H	α-helix	trans	-61	-39.8	179	-59.5	169.1	0	0	0	111.2	T756 Q760 M761 I762	T756-I758 PolarHBondContact O-N 3.02Å; I758-Q760 PolarHBondContact O-N 2.8Å; I758-M761 WeakPolarHBondContact O-CB 3.35Å; I758-M761 PolarHBondContact O-N 3.48Å; I758-M761 VanDerWaalsContact O-N 3.12Å; I758-I762 HydrophobicContact CG2-CD1 3.97Å; I758-I762 HydrophobicContact CG2-CG1 4.42Å; I758-I762 WeakPolarHBondContact O-CG1 3.45Å; I758-I762 PolarHBondContact O-N 3.45Å
759	D	68.9	Low	67	Low	83 Å²	83	88.8 Å²	88.8	44%	0.444	47%	0.467	S	S	.	.	H	α-helix	trans	-63.6	-43	-178.3	-58	-48	0	0	0	111.3	T756 L757 M761 I762 E763	T756-D759 PolarHBondContact N-OD2 3.2Å; T756-D759 PolarHBondContact O-N 3.29Å; T756-D759 VanDerWaalsContact OG1-CG 3.28Å; T756-D759 PolarHBondContact OG1-OD2 2.93Å; L757-D759 VanDerWaalsContact C-N 3.33Å; L757-D759 PolarHBondContact O-N 2.88Å; D759-M761 VanDerWaalsContact C-N 3.31Å; D759-M761 PolarHBondContact O-N 3.37Å; D759-I762 PolarHBondContact O-N 2.82Å; D759-E763 PolarHBondContact O-N 3.09Å
760	Q	68.1	Low	66.7	Low	45 Å²	45	91.2 Å²	91.2	21%	0.21	49%	0.488	C	S	.	.	H	α-helix	trans	-70.2	-28.8	175.7	-63.3	-170	-19	0	0	112.4	N566 F567 L757 I758 M764	N566-Q760 PolarHBondContact ND2-NE2 2.85Å; F567-Q760 HydrophobicContact CD2-CB 4.08Å; F567-Q760 HydrophobicContact CE2-CB 3.45Å; F567-Q760 VanDerWaalsContact CE2-CB 3.45Å; F567-Q760 HydrophobicContact CE2-CG 4.49Å; F567-Q760 HydrophobicContact CZ-CB 4.3Å; L757-Q760 PolarHBondContact O-N 2.95Å; I758-Q760 PolarHBondContact O-N 2.8Å; Q760-M764 PolarHBondContact O-N 3.22Å
761	M	69.1	Low	67	Low	37 Å²	37	92.3 Å²	92.3	18%	0.182	48%	0.481	C	S	.	.	H	α-helix	trans	-67.2	-40.1	173.3	-68.8	175.1	61.5	0	0	112	F567 W604 L757 I758 D759 M764 I765	F567-M761 HydrophobicContact CZ-CG 3.86Å; W604-M761 VanDerWaalsContact CD1-CE 3.46Å; W604-M761 HydrophobicContact CG-SD 4.43Å; L757-M761 VanDerWaalsContact O-CG 3.27Å; L757-M761 WeakPolarHBondContact O-CG 3.34Å; L757-M761 PolarHBondContact O-N 3.2Å; L757-M761 VanDerWaalsContact O-N 3.1Å; I758-M761 WeakPolarHBondContact O-CB 3.35Å; I758-M761 PolarHBondContact O-N 3.48Å; I758-M761 VanDerWaalsContact O-N 3.12Å; D759-M761 VanDerWaalsContact C-N 3.31Å; D759-M761 PolarHBondContact O-N 3.37Å; M761-M764 PolarHBondContact O-N 3.42Å; M761-I765 VanDerWaalsContact O-CG1 3.28Å; M761-I765 WeakPolarHBondContact O-CG1 3.14Å; M761-I765 PolarHBondContact O-N 2.83Å
762	I	71.1	Confident	67.9	Low	83 Å²	83	87.1 Å²	87.1	43%	0.426	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-48.4	179.5	-69.2	166.2	0	0	0	109.6	I758 D759 M764 I765 D766	I758-I762 HydrophobicContact CG2-CD1 3.97Å; I758-I762 HydrophobicContact CG2-CG1 4.42Å; I758-I762 WeakPolarHBondContact O-CG1 3.45Å; I758-I762 PolarHBondContact O-N 3.45Å; D759-I762 PolarHBondContact O-N 2.82Å; I762-M764 VanDerWaalsContact C-N 3.3Å; I762-M764 PolarHBondContact O-N 2.78Å; I762-I765 PolarHBondContact O-N 3.33Å; I762-D766 PolarHBondContact O-N 3.44Å
763	E	71.5	Confident	69.1	Low	144 Å²	144	87.9 Å²	87.9	67%	0.673	46%	0.458	S	S	*	.	H	α-helix	trans	-57.4	-42.2	178.7	-169.5	176.4	-169	0	0	112.3	D759 I765 D766 E767	D759-E763 PolarHBondContact O-N 3.09Å; E763-I765 PolarHBondContact O-N 3.03Å; E763-D766 PolarHBondContact O-N 3.38Å; E763-E767 PolarHBondContact O-N 2.92Å
764	M	70.2	Confident	70.3	Confident	38 Å²	38	91.2 Å²	91.2	19%	0.187	47%	0.469	C	S	.	.	H	α-helix	trans	-65.8	-34.9	174.9	-78	-173.7	53.8	0	0	113.7	Q561 F563 F567 W604 Q760 M761 I762 Y768	Q561-M764 HydrophobicContact CG-CE 3.75Å; F563-M764 HydrophobicContact CE1-SD 4.36Å; F567-M764 HydrophobicContact CE2-SD 4.43Å; W604-M764 HydrophobicContact CH2-CE 3.71Å; W604-M764 HydrophobicContact CH2-SD 4.25Å; W604-M764 HydrophobicContact CZ2-CE 3.74Å; W604-M764 HydrophobicContact CZ2-SD 4.12Å; Q760-M764 PolarHBondContact O-N 3.22Å; M761-M764 PolarHBondContact O-N 3.42Å; I762-M764 VanDerWaalsContact C-N 3.3Å; I762-M764 PolarHBondContact O-N 2.78Å; M764-Y768 WeakPolarHBondContact O-CB 3.41Å; M764-Y768 PolarHBondContact O-N 3Å; M764-Y768 VanDerWaalsContact O-N 3.16Å
765	I	71.1	Confident	71.9	Confident	90 Å²	90	86.6 Å²	86.6	46%	0.462	45%	0.452	S	S	.	.	H	α-helix	trans	-69.9	-39.7	178.9	-72.7	166.1	0	0	0	110.3	M761 I762 E763 Y768 S769	M761-I765 VanDerWaalsContact O-CG1 3.28Å; M761-I765 WeakPolarHBondContact O-CG1 3.14Å; M761-I765 PolarHBondContact O-N 2.83Å; I762-I765 PolarHBondContact O-N 3.33Å; E763-I765 PolarHBondContact O-N 3.03Å; I765-Y768 PolarHBondContact O-N 3.34Å; I765-S769 WeakPolarHBondContact O-CB 3.39Å; I765-S769 PolarHBondContact O-N 3.28Å; I765-S769 PolarHBondContact O-OG 3.43Å
766	D	76.2	Confident	73	Confident	103 Å²	103	88.6 Å²	88.6	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-65.1	-45.7	179.3	-70.3	-16.7	0	0	0	111.2	I762 E763 Y768 S769 A770	I762-D766 PolarHBondContact O-N 3.44Å; E763-D766 PolarHBondContact O-N 3.38Å; D766-Y768 VanDerWaalsContact C-N 3.35Å; D766-Y768 PolarHBondContact O-N 3.28Å; D766-S769 PolarHBondContact O-N 2.95Å; D766-A770 PolarHBondContact O-N 2.88Å
767	E	74.2	Confident	73.9	Confident	124 Å²	124	88.1 Å²	88.1	58%	0.579	46%	0.459	S	S	*	.	H	α-helix	trans	-61.9	-42.1	176.3	-172.5	-178.2	-173.5	0	0	111.9	E763 N771	E763-E767 PolarHBondContact O-N 2.92Å; E767-N771 PolarHBondContact O-N 3.36Å; E767-N771 VanDerWaalsContact O-N 3.14Å; E767-N771 PolarHBondContact O-ND2 3.35Å
768	Y	71.3	Confident	74.8	Confident	152 Å²	152	89.1 Å²	89.1	60%	0.596	46%	0.462	S	S	*	.	H	α-helix	trans	-66	-39	177.5	-174.8	-111.6	0	0	0	112.3	M764 I765 D766 N771 L772	M764-Y768 WeakPolarHBondContact O-CB 3.41Å; M764-Y768 PolarHBondContact O-N 3Å; M764-Y768 VanDerWaalsContact O-N 3.16Å; I765-Y768 PolarHBondContact O-N 3.34Å; D766-Y768 VanDerWaalsContact C-N 3.35Å; D766-Y768 PolarHBondContact O-N 3.28Å; Y768-N771 PolarHBondContact O-N 3.5Å; Y768-L772 HydrophobicContact CD1-CD1 3.59Å; Y768-L772 HydrophobicContact CD1-CG 4.46Å; Y768-L772 HydrophobicContact CE1-CD1 3.17Å; Y768-L772 HydrophobicContact CE1-CG 4.07Å; Y768-L772 HydrophobicContact CE2-CD1 4.35Å; Y768-L772 HydrophobicContact CE2-CG 4.42Å; Y768-L772 HydrophobicContact CG-CD1 4.36Å; Y768-L772 WeakPolarHBondContact O-CB 3.39Å; Y768-L772 PolarHBondContact O-N 2.86Å
769	S	73.7	Confident	75.4	Confident	48 Å²	48	91.8 Å²	91.8	34%	0.336	47%	0.465	S	S	.	.	H	α-helix	trans	-65.2	-45.1	178.3	-58	0	0	0	0	111.3	I765 D766 N771 L772 E773	I765-S769 WeakPolarHBondContact O-CB 3.39Å; I765-S769 PolarHBondContact O-N 3.28Å; I765-S769 PolarHBondContact O-OG 3.43Å; D766-S769 PolarHBondContact O-N 2.95Å; S769-N771 PolarHBondContact O-N 3.43Å; S769-L772 PolarHBondContact O-N 3.22Å; S769-E773 WeakPolarHBondContact O-CG 3.43Å; S769-E773 PolarHBondContact O-N 2.85Å
770	A	77.3	Confident	76.2	Confident	57 Å²	57	90.9 Å²	90.9	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-61.1	-43.2	176.8	0	0	0	0	0	112.5	D766 E773 Q774	D766-A770 PolarHBondContact O-N 2.88Å; A770-E773 PolarHBondContact O-N 3.41Å; A770-Q774 PolarHBondContact O-N 3.28Å
771	N	76.1	Confident	77	Confident	79 Å²	79	95 Å²	95	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-65.6	-38.6	176.7	-79.8	-29.3	0	0	0	112.5	E767 Y768 S769 Q774 I775	E767-N771 PolarHBondContact O-N 3.36Å; E767-N771 VanDerWaalsContact O-N 3.14Å; E767-N771 PolarHBondContact O-ND2 3.35Å; Y768-N771 PolarHBondContact O-N 3.5Å; S769-N771 PolarHBondContact O-N 3.43Å; N771-Q774 PolarHBondContact O-N 3.46Å; N771-I775 WeakPolarHBondContact O-CG1 3.15Å; N771-I775 PolarHBondContact O-N 2.9Å; N771-I775 VanDerWaalsContact O-N 3.17Å
772	L	76.9	Confident	77.7	Confident	67 Å²	67	96.7 Å²	96.7	35%	0.351	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-43.6	176	-89.1	168.1	0	0	0	112.1	Y768 S769 Q774 I775 V776	Y768-L772 HydrophobicContact CD1-CD1 3.59Å; Y768-L772 HydrophobicContact CD1-CG 4.46Å; Y768-L772 HydrophobicContact CE1-CD1 3.17Å; Y768-L772 HydrophobicContact CE1-CG 4.07Å; Y768-L772 HydrophobicContact CE2-CD1 4.35Å; Y768-L772 HydrophobicContact CE2-CG 4.42Å; Y768-L772 HydrophobicContact CG-CD1 4.36Å; Y768-L772 WeakPolarHBondContact O-CB 3.39Å; Y768-L772 PolarHBondContact O-N 2.86Å; S769-L772 PolarHBondContact O-N 3.22Å; L772-Q774 VanDerWaalsContact C-N 3.28Å; L772-Q774 PolarHBondContact O-N 2.88Å; L772-I775 PolarHBondContact O-N 3.22Å; L772-V776 WeakPolarHBondContact O-CG2 3.37Å; L772-V776 PolarHBondContact O-N 3.05Å
773	E	78.7	Confident	78.5	Confident	144 Å²	144	98.4 Å²	98.4	67%	0.673	49%	0.493	S	S	*	.	H	α-helix	trans	-57.6	-42.8	177.4	-74.8	178	179.4	0	0	111.6	S769 A770 V776 A777	S769-E773 WeakPolarHBondContact O-CG 3.43Å; S769-E773 PolarHBondContact O-N 2.85Å; A770-E773 PolarHBondContact O-N 3.41Å; E773-V776 PolarHBondContact O-N 3.02Å; E773-A777 WeakPolarHBondContact O-CB 3.47Å; E773-A777 PolarHBondContact O-N 2.88Å
774	Q	79.7	Confident	79.1	Confident	140 Å²	140	97.2 Å²	97.2	65%	0.654	49%	0.488	S	S	*	.	H	α-helix	trans	-62.5	-44.1	176.2	-171.7	-178.3	0.7	0	0	112.3	A770 N771 L772 A777 E778	A770-Q774 PolarHBondContact O-N 3.28Å; N771-Q774 PolarHBondContact O-N 3.46Å; L772-Q774 VanDerWaalsContact C-N 3.28Å; L772-Q774 PolarHBondContact O-N 2.88Å; Q774-A777 PolarHBondContact O-N 2.99Å; Q774-E778 PolarHBondContact O-N 2.68Å
775	I	81.3	Confident	79.6	Confident	100 Å²	100	100.8 Å²	100.8	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-42.6	178.9	-67.8	162.9	0	0	0	110.9	N771 L772 A777 E778 R779	N771-I775 WeakPolarHBondContact O-CG1 3.15Å; N771-I775 PolarHBondContact O-N 2.9Å; N771-I775 VanDerWaalsContact O-N 3.17Å; L772-I775 PolarHBondContact O-N 3.22Å; I775-A777 VanDerWaalsContact C-N 3.33Å; I775-A777 PolarHBondContact O-N 3.32Å; I775-E778 PolarHBondContact O-N 3.15Å; I775-R779 HydrophobicContact CG2-CG 4.33Å; I775-R779 WeakPolarHBondContact O-CG 3.49Å; I775-R779 PolarHBondContact O-N 3.14Å
776	V	80	Confident	80.2	Confident	86 Å²	86	101.6 Å²	101.6	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-41.7	178.3	170.5	0	0	0	0	110.7	L772 E773 R779 T780	L772-V776 WeakPolarHBondContact O-CG2 3.37Å; L772-V776 PolarHBondContact O-N 3.05Å; E773-V776 PolarHBondContact O-N 3.02Å; V776-R779 PolarHBondContact O-N 2.9Å; V776-T780 WeakPolarHBondContact O-CB 3.42Å; V776-T780 PolarHBondContact O-N 3.33Å; V776-T780 PolarHBondContact O-OG1 3.48Å
777	A	82.3	Confident	80.6	Confident	64 Å²	64	102.4 Å²	102.4	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-60.3	-46.3	176.9	0	0	0	0	0	112.1	E773 Q774 I775 T780 R781	E773-A777 WeakPolarHBondContact O-CB 3.47Å; E773-A777 PolarHBondContact O-N 2.88Å; Q774-A777 PolarHBondContact O-N 2.99Å; I775-A777 VanDerWaalsContact C-N 3.33Å; I775-A777 PolarHBondContact O-N 3.32Å; A777-T780 PolarHBondContact O-N 3.39Å; A777-R781 PolarHBondContact O-N 3Å; A777-R781 VanDerWaalsContact O-N 3.14Å
778	E	84.9	Confident	81	Confident	82 Å²	82	99.2 Å²	99.2	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-44	179.5	-171.2	61	-160.8	0	0	112	Q774 I775 T780 R781 E782	Q774-E778 PolarHBondContact O-N 2.68Å; I775-E778 PolarHBondContact O-N 3.15Å; E778-T780 VanDerWaalsContact C-N 3.28Å; E778-T780 PolarHBondContact O-N 2.79Å; E778-R781 WeakPolarHBondContact O-CB 3.41Å; E778-R781 PolarHBondContact O-N 3.07Å; E778-R781 VanDerWaalsContact O-N 3.13Å; E778-R781 IonicContact OE1-CZ 2.69Å; E778-R781 IonicContact OE1-NE 3.86Å; E778-R781 PolarHBondContact OE1-NE 3.39Å; E778-R781 IonicContact OE1-NH2 3.59Å; E778-R781 PolarHBondContact OE1-NH2 2.8Å; E778-R781 IonicContact OE2-CZ 3.2Å; E778-R781 IonicContact OE2-NE 2.92Å; E778-R781 IonicContact OE2-NH2 3.46Å; E778-E782 PolarHBondContact O-N 2.97Å
779	R	81.3	Confident	81.5	Confident	161 Å²	161	96.7 Å²	96.7	61%	0.608	50%	0.503	S	S	*	.	H	α-helix	trans	-62.8	-35.3	177.4	-71.1	-60.5	-167.4	178	4.6	112.9	I775 V776 R781 E782 L783	I775-R779 HydrophobicContact CG2-CG 4.33Å; I775-R779 WeakPolarHBondContact O-CG 3.49Å; I775-R779 PolarHBondContact O-N 3.14Å; V776-R779 PolarHBondContact O-N 2.9Å; R779-R781 VanDerWaalsContact C-N 3.34Å; R779-E782 VanDerWaalsContact CD-OE2 3.27Å; R779-E782 WeakPolarHBondContact CD-OE2 3.13Å; R779-E782 IonicContact CZ-OE2 2.72Å; R779-E782 IonicContact NE-OE2 2.89Å; R779-E782 IonicContact NH1-OE2 2.74Å; R779-E782 PolarHBondContact NH1-OE2 3.26Å; R779-E782 PolarHBondContact O-N 2.9Å; R779-L783 WeakPolarHBondContact O-CB 3.49Å; R779-L783 PolarHBondContact O-N 2.84Å
780	T	85.4	Confident	81.9	Confident	65 Å²	65	98.9 Å²	98.9	40%	0.399	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-40.8	175.5	-54.6	0	0	0	0	110.5	V776 A777 E778 L783 E784	V776-T780 WeakPolarHBondContact O-CB 3.42Å; V776-T780 PolarHBondContact O-N 3.33Å; V776-T780 PolarHBondContact O-OG1 3.48Å; A777-T780 PolarHBondContact O-N 3.39Å; E778-T780 VanDerWaalsContact C-N 3.28Å; E778-T780 PolarHBondContact O-N 2.79Å; T780-L783 WeakPolarHBondContact O-CB 3.29Å; T780-L783 PolarHBondContact O-N 2.78Å; T780-E784 WeakPolarHBondContact O-CG 3.45Å; T780-E784 PolarHBondContact O-N 3.09Å
781	R	84.9	Confident	82.2	Confident	130 Å²	130	99.3 Å²	99.3	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.9	-167.7	-179.6	76.2	144.3	0.4	112.9	A777 E778 R779 L783 E784 Q785	A777-R781 PolarHBondContact O-N 3Å; A777-R781 VanDerWaalsContact O-N 3.14Å; E778-R781 WeakPolarHBondContact O-CB 3.41Å; E778-R781 PolarHBondContact O-N 3.07Å; E778-R781 VanDerWaalsContact O-N 3.13Å; E778-R781 IonicContact OE1-CZ 2.69Å; E778-R781 IonicContact OE1-NE 3.86Å; E778-R781 PolarHBondContact OE1-NE 3.39Å; E778-R781 IonicContact OE1-NH2 3.59Å; E778-R781 PolarHBondContact OE1-NH2 2.8Å; E778-R781 IonicContact OE2-CZ 3.2Å; E778-R781 IonicContact OE2-NE 2.92Å; E778-R781 IonicContact OE2-NH2 3.46Å; R779-R781 VanDerWaalsContact C-N 3.34Å; R781-L783 VanDerWaalsContact C-N 3.33Å; R781-E784 PolarHBondContact O-N 2.85Å; R781-Q785 WeakPolarHBondContact O-CG 3.47Å; R781-Q785 PolarHBondContact O-N 3.28Å
782	E	84.4	Confident	82.5	Confident	74 Å²	74	99.7 Å²	99.7	35%	0.346	51%	0.509	S	S	.	.	H	α-helix	trans	-58.8	-46.2	174	-69.8	177.9	167.3	0	0	110.9	E778 R779 E784 Q785 D786	E778-E782 PolarHBondContact O-N 2.97Å; R779-E782 VanDerWaalsContact CD-OE2 3.27Å; R779-E782 WeakPolarHBondContact CD-OE2 3.13Å; R779-E782 IonicContact CZ-OE2 2.72Å; R779-E782 IonicContact NE-OE2 2.89Å; R779-E782 IonicContact NH1-OE2 2.74Å; R779-E782 PolarHBondContact NH1-OE2 3.26Å; R779-E782 PolarHBondContact O-N 2.9Å; E782-E784 VanDerWaalsContact C-N 3.35Å; E782-E784 PolarHBondContact O-N 3.49Å; E782-Q785 PolarHBondContact O-N 3.45Å; E782-D786 PolarHBondContact O-N 3.43Å
783	L	86.5	Confident	82.9	Confident	118 Å²	118	101.1 Å²	101.1	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-61.1	-40.8	179.7	-176.2	66	0	0	0	112.5	R779 T780 R781 D786 M787	R779-L783 WeakPolarHBondContact O-CB 3.49Å; R779-L783 PolarHBondContact O-N 2.84Å; T780-L783 WeakPolarHBondContact O-CB 3.29Å; T780-L783 PolarHBondContact O-N 2.78Å; R781-L783 VanDerWaalsContact C-N 3.33Å; L783-D786 PolarHBondContact O-N 3.43Å; L783-M787 WeakPolarHBondContact O-CB 3.39Å; L783-M787 PolarHBondContact O-N 2.98Å
784	E	84.2	Confident	83.2	Confident	120 Å²	120	96.7 Å²	96.7	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-63.7	-39.6	177.5	-74.1	176.6	174.1	0	0	112.5	T780 R781 E782 S788	T780-E784 WeakPolarHBondContact O-CG 3.45Å; T780-E784 PolarHBondContact O-N 3.09Å; R781-E784 PolarHBondContact O-N 2.85Å; E782-E784 VanDerWaalsContact C-N 3.35Å; E782-E784 PolarHBondContact O-N 3.49Å; E784-S788 PolarHBondContact O-N 2.98Å
785	Q	82.5	Confident	83.4	Confident	113 Å²	113	92.5 Å²	92.5	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-47.9	176.8	-69.7	179.5	1.4	0	0	111.3	R781 E782 M787 S788 V789	R781-Q785 WeakPolarHBondContact O-CG 3.47Å; R781-Q785 PolarHBondContact O-N 3.28Å; E782-Q785 PolarHBondContact O-N 3.45Å; Q785-M787 VanDerWaalsContact C-N 3.31Å; Q785-M787 PolarHBondContact O-N 3.32Å; Q785-S788 PolarHBondContact O-N 3.24Å; Q785-V789 WeakPolarHBondContact O-CG2 3.19Å; Q785-V789 PolarHBondContact O-N 2.81Å; Q785-V789 VanDerWaalsContact O-N 3.08Å
786	D	82.9	Confident	83.4	Confident	106 Å²	106	93.7 Å²	93.7	57%	0.567	48%	0.479	S	S	*	.	H	α-helix	trans	-63.7	-37.9	178.5	-77.1	-10	0	0	0	111.9	E782 L783 V789 T790	E782-D786 PolarHBondContact O-N 3.43Å; L783-D786 PolarHBondContact O-N 3.43Å; D786-V789 PolarHBondContact O-N 3.22Å; D786-T790 WeakPolarHBondContact O-CB 3.39Å; D786-T790 PolarHBondContact O-N 3.34Å; D786-T790 PolarHBondContact O-OG1 2.85Å
787	M	83.6	Confident	83.5	Confident	120 Å²	120	94.8 Å²	94.8	59%	0.591	48%	0.481	S	S	*	.	H	α-helix	trans	-63.9	-43.5	176	-171.2	170.7	69.3	0	0	111.5	L783 Q785 T790 E791	L783-M787 WeakPolarHBondContact O-CB 3.39Å; L783-M787 PolarHBondContact O-N 2.98Å; Q785-M787 VanDerWaalsContact C-N 3.31Å; Q785-M787 PolarHBondContact O-N 3.32Å; M787-T790 PolarHBondContact O-N 3.45Å; M787-E791 VanDerWaalsContact O-CB 3.27Å; M787-E791 WeakPolarHBondContact O-CB 3.46Å; M787-E791 PolarHBondContact O-N 3.46Å
788	S	82.6	Confident	83.6	Confident	57 Å²	57	92 Å²	92	40%	0.399	46%	0.458	S	S	.	.	H	α-helix	trans	-62	-42.6	175.9	165.4	0	0	0	0	112.6	E784 Q785 E791 N792	E784-S788 PolarHBondContact O-N 2.98Å; Q785-S788 PolarHBondContact O-N 3.24Å; S788-E791 PolarHBondContact O-N 3.35Å; S788-N792 PolarHBondContact O-N 3.39Å; S788-N792 PolarHBondContact O-ND2 2.9Å
789	V	82.2	Confident	83.6	Confident	100 Å²	100	88.6 Å²	88.6	61%	0.606	44%	0.442	S	S	*	.	H	α-helix	trans	-63.4	-46.2	176.7	173.1	0	0	0	0	110.5	Q785 D786 E791 N792 L793	Q785-V789 WeakPolarHBondContact O-CG2 3.19Å; Q785-V789 PolarHBondContact O-N 2.81Å; Q785-V789 VanDerWaalsContact O-N 3.08Å; D786-V789 PolarHBondContact O-N 3.22Å; V789-E791 VanDerWaalsContact C-N 3.34Å; V789-E791 PolarHBondContact O-N 3.36Å; V789-N792 PolarHBondContact O-N 2.94Å; V789-L793 PolarHBondContact O-N 3.1Å; V789-L793 VanDerWaalsContact O-N 3.12Å
790	T	83.3	Confident	83.7	Confident	93 Å²	93	87.7 Å²	87.7	57%	0.571	44%	0.443	S	S	*	.	H	α-helix	trans	-62.8	-40.7	178.9	-55.5	0	0	0	0	111.6	D786 M787 L793 L794	D786-T790 WeakPolarHBondContact O-CB 3.39Å; D786-T790 PolarHBondContact O-N 3.34Å; D786-T790 PolarHBondContact O-OG1 2.85Å; M787-T790 PolarHBondContact O-N 3.45Å; T790-L793 PolarHBondContact O-N 3.09Å; T790-L794 PolarHBondContact O-N 3.42Å
791	E	83.7	Confident	83.6	Confident	67 Å²	67	86.1 Å²	86.1	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-43.6	178.7	-178.8	172.5	-155.3	0	0	112.1	M787 S788 V789 L793 L794 Y795 R807	M787-E791 VanDerWaalsContact O-CB 3.27Å; M787-E791 WeakPolarHBondContact O-CB 3.46Å; M787-E791 PolarHBondContact O-N 3.46Å; S788-E791 PolarHBondContact O-N 3.35Å; V789-E791 VanDerWaalsContact C-N 3.34Å; V789-E791 PolarHBondContact O-N 3.36Å; E791-L793 VanDerWaalsContact C-N 3.28Å; E791-L793 PolarHBondContact O-N 3.18Å; E791-L794 WeakPolarHBondContact O-CB 3.15Å; E791-L794 PolarHBondContact O-N 3.07Å; E791-Y795 HydrophobicContact CG-CD2 3.91Å; E791-Y795 HydrophobicContact CG-CE2 3.31Å; E791-Y795 WeakPolarHBondContact O-CD2 3.44Å; E791-Y795 PolarHBondContact O-N 3.44Å; E791-Y795 VanDerWaalsContact O-N 3.07Å; E791-Y795 WeakPolarHBondContact OE1-CE2 3.45Å; E791-Y795 PolarHBondContact OE1-OH 3.33Å; E791-R807 IonicContact OE1-CZ 3.41Å; E791-R807 IonicContact OE1-NH1 3.71Å; E791-R807 PolarHBondContact OE1-NH1 3.17Å
792	N	82.6	Confident	83.5	Confident	86 Å²	86	80.4 Å²	80.4	46%	0.46	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-37.8	176.2	-76.8	-50.5	0	0	0	112.2	S788 V789 Q796	S788-N792 PolarHBondContact O-N 3.39Å; S788-N792 PolarHBondContact O-ND2 2.9Å; V789-N792 PolarHBondContact O-N 2.94Å; N792-Q796 VanDerWaalsContact O-CG 3.3Å; N792-Q796 WeakPolarHBondContact O-CG 3.41Å; N792-Q796 PolarHBondContact O-N 3.38Å
793	L	84.5	Confident	83.6	Confident	97 Å²	97	76.9 Å²	76.9	51%	0.508	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-41.6	175	-175.1	63	0	0	0	111.5	V789 T790 E791 Y795 Q796 L797	V789-L793 PolarHBondContact O-N 3.1Å; V789-L793 VanDerWaalsContact O-N 3.12Å; T790-L793 PolarHBondContact O-N 3.09Å; E791-L793 VanDerWaalsContact C-N 3.28Å; E791-L793 PolarHBondContact O-N 3.18Å; L793-Y795 PolarHBondContact O-N 2.92Å; L793-Q796 WeakPolarHBondContact O-CB 3.42Å; L793-Q796 PolarHBondContact O-N 2.67Å; L793-Q796 VanDerWaalsContact O-N 3.12Å; L793-L797 WeakPolarHBondContact O-CG 3.42Å; L793-L797 PolarHBondContact O-N 3.24Å
794	L	85.1	Confident	83.6	Confident	51 Å²	51	73.9 Å²	73.9	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-59.7	-45	177.7	-178.1	65	0	0	0	112	T790 E791 Q796 L797 L798 A803	T790-L794 PolarHBondContact O-N 3.42Å; E791-L794 WeakPolarHBondContact O-CB 3.15Å; E791-L794 PolarHBondContact O-N 3.07Å; L794-Q796 PolarHBondContact O-N 3.28Å; L794-L797 PolarHBondContact O-N 3.19Å; L794-L797 VanDerWaalsContact O-N 3.15Å; L794-L798 HydrophobicContact CD1-CD1 4.03Å; L794-L798 PolarHBondContact O-N 2.97Å; L794-L798 VanDerWaalsContact O-N 3.08Å; L794-A803 HydrophobicContact CD2-CB 3.97Å; L794-A803 HydrophobicContact CG-CB 3.83Å
795	Y	83.9	Confident	83.6	Confident	52 Å²	52	70 Å²	70	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-69.7	-16.1	177.3	-65.1	-41.9	0	0	0	114.5	E791 L793 L798 K800 A803 D804 R807	E791-Y795 HydrophobicContact CG-CD2 3.91Å; E791-Y795 HydrophobicContact CG-CE2 3.31Å; E791-Y795 WeakPolarHBondContact O-CD2 3.44Å; E791-Y795 PolarHBondContact O-N 3.44Å; E791-Y795 VanDerWaalsContact O-N 3.07Å; E791-Y795 WeakPolarHBondContact OE1-CE2 3.45Å; E791-Y795 PolarHBondContact OE1-OH 3.33Å; L793-Y795 PolarHBondContact O-N 2.92Å; Y795-L798 CarbonylContact C-O 3.32Å; Y795-L798 VanDerWaalsContact O-O 3.12Å; Y795-K800 HydrophobicContact CD1-CB 4.29Å; Y795-K800 HydrophobicContact CD1-CG 3.92Å; Y795-K800 HydrophobicContact CE1-CB 4.41Å; Y795-K800 HydrophobicContact CE1-CG 4.35Å; Y795-K800 HydrophobicContact CG-CG 4.26Å; Y795-A803 HydrophobicContact CD1-CB 3.61Å; Y795-A803 HydrophobicContact CE1-CB 3.8Å; Y795-D804 PolarHBondContact OH-OD1 2.96Å; Y795-R807 PolarHBondContact OH-NH1 3.29Å
796	Q	80.3	Confident	83.6	Confident	126 Å²	126	67.9 Å²	67.9	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-80.3	-28.3	171.6	-71.9	171.5	25.2	0	0	111.8	N792 L793 L794	N792-Q796 VanDerWaalsContact O-CG 3.3Å; N792-Q796 WeakPolarHBondContact O-CG 3.41Å; N792-Q796 PolarHBondContact O-N 3.38Å; L793-Q796 WeakPolarHBondContact O-CB 3.42Å; L793-Q796 PolarHBondContact O-N 2.67Å; L793-Q796 VanDerWaalsContact O-N 3.12Å; L794-Q796 PolarHBondContact O-N 3.28Å
797	L	82.6	Confident	83.7	Confident	109 Å²	109	69.4 Å²	69.4	57%	0.571	36%	0.357	S	S	*	.	H	α-helix	trans	-88.4	-28.8	-178.5	-64.5	175.5	0	0	0	113.4	L793 L794	L793-L797 WeakPolarHBondContact O-CG 3.42Å; L793-L797 PolarHBondContact O-N 3.24Å; L794-L797 PolarHBondContact O-N 3.19Å; L794-L797 VanDerWaalsContact O-N 3.15Å
798	L	85.5	Confident	83.8	Confident	6 Å²	6	67 Å²	67	3%	0.031	35%	0.352	C	S	.	.	S	Bend	trans	-134.8	151.3	-174.6	-62.3	174.2	0	0	0	111.2	L794 Y795 A803 I806 F937	L794-L798 HydrophobicContact CD1-CD1 4.03Å; L794-L798 PolarHBondContact O-N 2.97Å; L794-L798 VanDerWaalsContact O-N 3.08Å; Y795-L798 CarbonylContact C-O 3.32Å; Y795-L798 VanDerWaalsContact O-O 3.12Å; L798-A803 HydrophobicContact CB-CB 4.25Å; L798-I806 HydrophobicContact CD1-CD1 3.5Å; L798-I806 VanDerWaalsContact CD1-CD1 3.5Å; L798-F937 HydrophobicContact CD2-CB 3.84Å
799	P	83.8	Confident	83.7	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.058	37%	0.367	C	S	.	.			trans	-57.2	142.4	169.4	-21.2	32.8	0	0	0	111.1	S801 V802 A803 F863 P879 F937	P799-S801 PolarHBondContact O-N 3.44Å; P799-V802 HydrophobicContact CB-CB 4.47Å; P799-V802 HydrophobicContact CB-CG2 4.32Å; P799-V802 HydrophobicContact CG-CG2 4.45Å; P799-V802 WeakPolarHBondContact O-CA 2.74Å; P799-V802 WeakPolarHBondContact O-CB 2.8Å; P799-V802 PolarHBondContact O-N 3.43Å; P799-A803 PolarHBondContact O-N 2.98Å; P799-F863 VanDerWaalsContact CD-CZ 3.5Å; P799-F863 HydrophobicContact CG-CD1 3.91Å; P799-F863 HydrophobicContact CG-CD2 4.1Å; P799-F863 HydrophobicContact CG-CE1 3.89Å; P799-F863 HydrophobicContact CG-CE2 4.08Å; P799-F863 HydrophobicContact CG-CG 4.03Å; P799-F863 HydrophobicContact CG-CZ 3.99Å; P799-P879 HydrophobicContact CB-CG 4.12Å; P799-F937 HydrophobicContact CG-CD1 3.94Å; P799-F937 HydrophobicContact CG-CD2 4.33Å; P799-F937 HydrophobicContact CG-CE1 3.94Å; P799-F937 HydrophobicContact CG-CE2 4.34Å; P799-F937 HydrophobicContact CG-CG 4.13Å; P799-F937 HydrophobicContact CG-CZ 4.13Å
800	K	83.4	Confident	83.7	Confident	143 Å²	143	69.4 Å²	69.4	62%	0.622	37%	0.367	S	S	*	.	H	α-helix	trans	-51.4	-49.2	-172.2	-70.1	-169.5	173.4	-168.5	0	114.4	Y795 V802 A803 D804	Y795-K800 HydrophobicContact CD1-CB 4.29Å; Y795-K800 HydrophobicContact CD1-CG 3.92Å; Y795-K800 HydrophobicContact CE1-CB 4.41Å; Y795-K800 HydrophobicContact CE1-CG 4.35Å; Y795-K800 HydrophobicContact CG-CG 4.26Å; K800-V802 VanDerWaalsContact C-N 3.26Å; K800-V802 PolarHBondContact O-N 2.99Å; K800-A803 WeakPolarHBondContact O-CB 3.29Å; K800-A803 PolarHBondContact O-N 3.42Å; K800-D804 WeakPolarHBondContact O-CB 3.44Å; K800-D804 PolarHBondContact O-N 3.27Å; K800-D804 VanDerWaalsContact O-OD2 3.14Å
801	S	82.7	Confident	83.5	Confident	32 Å²	32	71 Å²	71	22%	0.224	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-29.2	-178.7	66.4	0	0	0	0	113.4	P799 S805 P879	P799-S801 PolarHBondContact O-N 3.44Å; S801-S805 WeakPolarHBondContact O-CB 3.35Å; S801-S805 PolarHBondContact O-N 3.23Å; S801-S805 PolarHBondContact O-OG 3.09Å; S801-P879 WeakPolarHBondContact OG-CG 2.84Å
802	V	84.1	Confident	83.3	Confident	10 Å²	10	70 Å²	70	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-73	-45.7	174.7	173.6	0	0	0	0	110.2	P799 K800 D804 S805 I806 V812 I929 F937	P799-V802 HydrophobicContact CB-CB 4.47Å; P799-V802 HydrophobicContact CB-CG2 4.32Å; P799-V802 HydrophobicContact CG-CG2 4.45Å; P799-V802 WeakPolarHBondContact O-CA 2.74Å; P799-V802 WeakPolarHBondContact O-CB 2.8Å; P799-V802 PolarHBondContact O-N 3.43Å; K800-V802 VanDerWaalsContact C-N 3.26Å; K800-V802 PolarHBondContact O-N 2.99Å; V802-D804 PolarHBondContact O-N 3.07Å; V802-S805 WeakPolarHBondContact O-CB 3.44Å; V802-S805 PolarHBondContact O-N 2.96Å; V802-I806 HydrophobicContact CG1-CD1 4.35Å; V802-I806 WeakPolarHBondContact O-CG1 3.27Å; V802-I806 PolarHBondContact O-N 3.43Å; V802-V812 HydrophobicContact CG1-CG1 4.11Å; V802-V812 HydrophobicContact CG1-CG2 4.21Å; V802-I929 HydrophobicContact CG1-CD1 3.3Å; V802-I929 HydrophobicContact CG1-CG1 3.98Å; V802-F937 HydrophobicContact CG1-CD2 4.43Å; V802-F937 HydrophobicContact CG2-CD2 4.39Å; V802-F937 HydrophobicContact CG2-CE2 3.96Å
803	A	86.2	Confident	83.4	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-58.5	-45.5	173.8	0	0	0	0	0	112.1	L794 Y795 L798 P799 K800 S805 I806 R807	L794-A803 HydrophobicContact CD2-CB 3.97Å; L794-A803 HydrophobicContact CG-CB 3.83Å; Y795-A803 HydrophobicContact CD1-CB 3.61Å; Y795-A803 HydrophobicContact CE1-CB 3.8Å; L798-A803 HydrophobicContact CB-CB 4.25Å; P799-A803 PolarHBondContact O-N 2.98Å; K800-A803 WeakPolarHBondContact O-CB 3.29Å; K800-A803 PolarHBondContact O-N 3.42Å; A803-S805 VanDerWaalsContact C-N 3.33Å; A803-S805 PolarHBondContact O-N 2.88Å; A803-I806 PolarHBondContact O-N 3.03Å; A803-R807 WeakPolarHBondContact O-CB 2.88Å; A803-R807 PolarHBondContact O-N 2.95Å
804	D	86.7	Confident	83.5	Confident	54 Å²	54	70.3 Å²	70.3	29%	0.289	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-39.6	177.1	-70.2	-36	0	0	0	111.9	Y795 K800 V802 R807 S808	Y795-D804 PolarHBondContact OH-OD1 2.96Å; K800-D804 WeakPolarHBondContact O-CB 3.44Å; K800-D804 PolarHBondContact O-N 3.27Å; K800-D804 VanDerWaalsContact O-OD2 3.14Å; V802-D804 PolarHBondContact O-N 3.07Å; D804-R807 PolarHBondContact O-N 2.92Å; D804-R807 IonicContact OD1-CZ 3.97Å; D804-R807 IonicContact OD1-NH1 2.73Å; D804-R807 PolarHBondContact OD1-NH1 3.41Å; D804-R807 IonicContact OD1-NH2 3.61Å; D804-R807 PolarHBondContact OD1-NH2 3.43Å; D804-S808 WeakPolarHBondContact O-CB 3.45Å; D804-S808 PolarHBondContact O-N 3.42Å; D804-S808 PolarHBondContact O-OG 3.47Å
805	S	84.5	Confident	83.6	Confident	39 Å²	39	73.4 Å²	73.4	27%	0.273	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-47.8	176	-64.2	0	0	0	0	111.2	S801 V802 A803 R807 S808 G809 K810	S801-S805 WeakPolarHBondContact O-CB 3.35Å; S801-S805 PolarHBondContact O-N 3.23Å; S801-S805 PolarHBondContact O-OG 3.09Å; V802-S805 WeakPolarHBondContact O-CB 3.44Å; V802-S805 PolarHBondContact O-N 2.96Å; A803-S805 VanDerWaalsContact C-N 3.33Å; A803-S805 PolarHBondContact O-N 2.88Å; S805-R807 PolarHBondContact O-N 2.85Å; S805-S808 PolarHBondContact O-N 2.74Å; S805-S808 PolarHBondContact O-OG 3.12Å; S805-G809 PolarHBondContact O-N 3.32Å; S805-K810 WeakPolarHBondContact O-CB 3.39Å; S805-K810 PolarHBondContact O-N 3Å
806	I	82.4	Confident	83.8	Confident	69 Å²	69	77.1 Å²	77.1	35%	0.354	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-44.4	176.1	-65	168.1	0	0	0	111.1	L798 V802 A803 S808 G809 V812 I929	L798-I806 HydrophobicContact CD1-CD1 3.5Å; L798-I806 VanDerWaalsContact CD1-CD1 3.5Å; V802-I806 HydrophobicContact CG1-CD1 4.35Å; V802-I806 WeakPolarHBondContact O-CG1 3.27Å; V802-I806 PolarHBondContact O-N 3.43Å; A803-I806 PolarHBondContact O-N 3.03Å; I806-S808 VanDerWaalsContact C-N 3.26Å; I806-S808 PolarHBondContact O-N 3.32Å; I806-G809 PolarHBondContact O-N 3.04Å; I806-V812 HydrophobicContact CG1-CG2 3.8Å; I806-I929 HydrophobicContact CD1-CD1 3.37Å; I806-I929 HydrophobicContact CG1-CD1 4.15Å
807	R	84.2	Confident	84.3	Confident	137 Å²	137	72.3 Å²	72.3	52%	0.517	40%	0.395	S	S	.	.	H	α-helix	trans	-59.8	-38.3	177.8	-171.2	179	67	-119	-13.8	111.8	E791 Y795 A803 D804 S805 G809	E791-R807 IonicContact OE1-CZ 3.41Å; E791-R807 IonicContact OE1-NH1 3.71Å; E791-R807 PolarHBondContact OE1-NH1 3.17Å; Y795-R807 PolarHBondContact OH-NH1 3.29Å; A803-R807 WeakPolarHBondContact O-CB 2.88Å; A803-R807 PolarHBondContact O-N 2.95Å; D804-R807 PolarHBondContact O-N 2.92Å; D804-R807 IonicContact OD1-CZ 3.97Å; D804-R807 IonicContact OD1-NH1 2.73Å; D804-R807 PolarHBondContact OD1-NH1 3.41Å; D804-R807 IonicContact OD1-NH2 3.61Å; D804-R807 PolarHBondContact OD1-NH2 3.43Å; S805-R807 PolarHBondContact O-N 2.85Å; R807-G809 PolarHBondContact O-N 3.09Å
808	S	85	Confident	84.5	Confident	69 Å²	69	72.3 Å²	72.3	48%	0.483	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	4.4	176.1	69.9	0	0	0	0	114.4	D804 S805 I806 K810	D804-S808 WeakPolarHBondContact O-CB 3.45Å; D804-S808 PolarHBondContact O-N 3.42Å; D804-S808 PolarHBondContact O-OG 3.47Å; S805-S808 PolarHBondContact O-N 2.74Å; S805-S808 PolarHBondContact O-OG 3.12Å; I806-S808 VanDerWaalsContact C-N 3.26Å; I806-S808 PolarHBondContact O-N 3.32Å; S808-K810 PolarHBondContact O-N 3.16Å; S808-K810 WeakPolarHBondContact OG-CD 3.41Å; S808-K810 WeakPolarHBondContact OG-CG 3.41Å
809	G	81.9	Confident	84.7	Confident	68 Å²	68	74.3 Å²	74.3	70%	0.701	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	12.2	-177.5	0	0	0	0	0	114	S805 I806 R807	S805-G809 PolarHBondContact O-N 3.32Å; I806-G809 PolarHBondContact O-N 3.04Å; R807-G809 PolarHBondContact O-N 3.09Å
810	K	81.1	Confident	85.1	Confident	141 Å²	141	73.9 Å²	73.9	61%	0.613	42%	0.416	S	S	*	.			trans	-78.9	138.2	176.8	-67.3	176.7	-175.2	177.2	0	109.9	S805 S808 V812	S805-K810 WeakPolarHBondContact O-CB 3.39Å; S805-K810 PolarHBondContact O-N 3Å; S808-K810 PolarHBondContact O-N 3.16Å; S808-K810 WeakPolarHBondContact OG-CD 3.41Å; S808-K810 WeakPolarHBondContact OG-CG 3.41Å; K810-V812 PolarHBondContact O-N 3.41Å
811	T	79.6	Confident	85.7	Confident	127 Å²	127	67 Å²	67	78%	0.779	39%	0.386	S	S	*	.			trans	-70.3	125.3	171.1	48	0	0	0	0	109.4	V813	T811-V813 PolarHBondContact O-N 3.31Å
812	V	79.6	Confident	86.3	Confident	44 Å²	44	65.5 Å²	65.5	27%	0.267	38%	0.376	S	S	.	.			trans	-86.9	108.1	174.9	-177.9	0	0	0	0	108	V802 I806 K810 I929	V802-V812 HydrophobicContact CG1-CG1 4.11Å; V802-V812 HydrophobicContact CG1-CG2 4.21Å; I806-V812 HydrophobicContact CG1-CG2 3.8Å; K810-V812 PolarHBondContact O-N 3.41Å; V812-I929 HydrophobicContact CB-CD1 3.96Å; V812-I929 HydrophobicContact CG1-CD1 4.06Å; V812-I929 HydrophobicContact CG1-CG1 4.45Å; V812-I929 HydrophobicContact CG2-CD1 4.06Å
813	V	83.8	Confident	86.9	Confident	98 Å²	98	65 Å²	65	59%	0.594	37%	0.373	S	S	*	.			trans	-86.2	143.1	178.5	-173.3	0	0	0	0	109	T811 E815	T811-V813 PolarHBondContact O-N 3.31Å; V813-E815 PolarHBondContact O-N 2.87Å
814	P	86.8	Confident	87.3	Confident	92 Å²	92	65.2 Å²	65.2	60%	0.597	37%	0.374	S	S	*	.			trans	-59.5	134.6	173.5	-23.9	34.3	0	0	0	112.2	A927	P814-A927 CarbonylContact C-O 3.58Å; P814-A927 VanDerWaalsContact CA-O 3.24Å; P814-A927 WeakPolarHBondContact CA-O 3Å
815	E	87.8	Confident	87.7	Confident	117 Å²	117	62.8 Å²	62.8	55%	0.547	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.3	-178.3	-69.1	-173.5	175.4	0	0	111.6	V813 H817 A926 A927	V813-E815 PolarHBondContact O-N 2.87Å; E815-H817 IonicContact OE2-CE1 2.71Å; E815-H817 IonicContact OE2-NE2 3.55Å; E815-A926 CarbonylContact O-C 3.55Å; E815-A926 WeakPolarHBondContact O-CA 3.37Å; E815-A927 PolarHBondContact N-O 2.98Å; E815-A927 PolarHBondContact O-N 2.84Å
816	Q	88.4	Confident	88	Confident	129 Å²	129	63.6 Å²	63.6	60%	0.603	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.8	172.6	-172.8	70.4	20.2	0	0	109.5
817	H	89.5	Confident	88.4	Confident	25 Å²	25	60.7 Å²	60.7	12%	0.116	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.6	173.7	-58.6	-85	0	0	0	109.4	E815 V820 I878 A924 V925	E815-H817 IonicContact OE2-CE1 2.71Å; E815-H817 IonicContact OE2-NE2 3.55Å; H817-V820 HydrophobicContact CB-CG1 3.66Å; H817-I878 HydrophobicContact CB-CG1 4.45Å; H817-A924 CarbonylContact O-C 3.42Å; H817-A924 VanDerWaalsContact O-CA 3.23Å; H817-A924 WeakPolarHBondContact O-CA 3.35Å; H817-V925 HydrophobicContact CB-CG2 4.43Å; H817-V925 PolarHBondContact N-O 3.46Å; H817-V925 PolarHBondContact O-N 2.94Å
818	S	87.8	Confident	88.7	Confident	109 Å²	109	54.9 Å²	54.9	76%	0.762	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	-28.4	-174.2	52.2	0	0	0	0	113.8	A924	S818-A924 WeakPolarHBondContact O-CA 3.28Å; S818-A924 WeakPolarHBondContact O-CB 3.45Å
819	S	89.3	Confident	88.6	Confident	48 Å²	48	57.3 Å²	57.3	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	120.7	176.9	-161.3	0	0	0	0	111.2
820	V	93.2	Very high	88.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160	172.8	-53.3	0	0	0	0	108.5	H817 L822 I878 S922 G923 V925	H817-V820 HydrophobicContact CB-CG1 3.66Å; V820-L822 HydrophobicContact CG2-CD2 3.89Å; V820-L822 HydrophobicContact CG2-CG 4.3Å; V820-I878 HydrophobicContact CB-CD1 4.42Å; V820-I878 HydrophobicContact CB-CG1 4.27Å; V820-I878 HydrophobicContact CG1-CD1 3.78Å; V820-I878 HydrophobicContact CG1-CG1 3.43Å; V820-I878 VanDerWaalsContact CG1-CG1 3.43Å; V820-S922 CarbonylContact O-C 3.45Å; V820-S922 WeakPolarHBondContact O-CA 3.42Å; V820-S922 WeakPolarHBondContact O-CB 3.4Å; V820-G923 WeakPolarHBondContact CG2-O 3.37Å; V820-G923 PolarHBondContact N-O 3.01Å; V820-G923 PolarHBondContact O-N 2.77Å; V820-V925 HydrophobicContact CB-CG2 4.33Å; V820-V925 HydrophobicContact CG1-CG2 3.92Å; V820-V925 HydrophobicContact CG2-CB 4.2Å; V820-V925 HydrophobicContact CG2-CG1 3.71Å; V820-V925 HydrophobicContact CG2-CG2 3.45Å; V820-V925 VanDerWaalsContact CG2-CG2 3.45Å
821	T	95.2	Very high	88.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.8	170.5	-57.5	0	0	0	0	109.9	S876 H886 L887 I890 I920 S922	T821-S876 PolarHBondContact N-O 3.49Å; T821-S876 PolarHBondContact O-N 3.37Å; T821-H886 PolarHBondContact N-ND1 2.98Å; T821-H886 PolarHBondContact OG1-CE1 2.03Å; T821-H886 PolarHBondContact OG1-ND1 3.3Å; T821-L887 HydrophobicContact CG2-CD1 3.93Å; T821-L887 VanDerWaalsContact OG1-CA 3.28Å; T821-L887 WeakPolarHBondContact OG1-CA 3.07Å; T821-L887 PolarHBondContact OG1-N 3.23Å; T821-I890 HydrophobicContact CG2-CB 3.71Å; T821-I890 HydrophobicContact CG2-CG1 3.84Å; T821-I890 HydrophobicContact CG2-CG2 3.71Å; T821-I920 HydrophobicContact CG2-CG2 3.52Å; T821-S922 PolarHBondContact OG1-OG 3.32Å
822	L	95.4	Very high	89.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.5	178.1	-53	-174.5	0	0	0	109.8	V820 L873 I874 C875 I920 T921 V925 I939 T943 V944 A947	V820-L822 HydrophobicContact CG2-CD2 3.89Å; V820-L822 HydrophobicContact CG2-CG 4.3Å; L822-L873 HydrophobicContact CB-CD1 4.32Å; L822-I874 WeakPolarHBondContact CA-O 3.18Å; L822-C875 HydrophobicContact CD2-CB 3.69Å; L822-C875 WeakPolarHBondContact CD2-SG 3.49Å; L822-I920 VanDerWaalsContact O-CA 3.31Å; L822-I920 WeakPolarHBondContact O-CA 3.49Å; L822-T921 PolarHBondContact N-O 2.82Å; L822-T921 PolarHBondContact O-N 3.35Å; L822-T921 VanDerWaalsContact O-N 3.15Å; L822-V925 HydrophobicContact CD1-CG1 4.23Å; L822-I939 HydrophobicContact CD1-CD1 3.91Å; L822-I939 HydrophobicContact CD2-CD1 3.4Å; L822-I939 HydrophobicContact CG-CD1 4.3Å; L822-T943 HydrophobicContact CD1-CG2 3.92Å; L822-T943 HydrophobicContact CG-CG2 4.24Å; L822-V944 HydrophobicContact CD1-CB 4.23Å; L822-V944 HydrophobicContact CD1-CG2 3.78Å; L822-A947 HydrophobicContact CB-CB 3.92Å; L822-A947 HydrophobicContact CD1-CB 4.31Å
823	L	96	Very high	89.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.8	168.8	165.4	63.5	0	0	0	108.5	V825 I874 I890 I893 L897 M918 G919 I920	L823-V825 HydrophobicContact CD1-CG2 4.07Å; L823-V825 HydrophobicContact CD2-CG2 4.19Å; L823-V825 HydrophobicContact CG-CG2 3.85Å; L823-I874 HydrophobicContact CB-CB 4.3Å; L823-I874 HydrophobicContact CD2-CD1 3.7Å; L823-I874 HydrophobicContact CG-CD1 4.18Å; L823-I874 PolarHBondContact N-O 3.15Å; L823-I874 PolarHBondContact O-N 3.43Å; L823-I890 HydrophobicContact CB-CD1 4.16Å; L823-I890 HydrophobicContact CB-CG2 3.56Å; L823-I890 HydrophobicContact CD2-CG2 4.32Å; L823-I890 HydrophobicContact CG-CG2 4.48Å; L823-I893 HydrophobicContact CD2-CG2 4.04Å; L823-L897 HydrophobicContact CD2-CD1 4.07Å; L823-M918 HydrophobicContact CD1-CB 3.85Å; L823-M918 HydrophobicContact CD1-CG 4.13Å; L823-M918 HydrophobicContact CD1-SD 4.39Å; L823-G919 WeakPolarHBondContact CA-O 3.37Å; L823-I920 HydrophobicContact CB-CG1 4.42Å; L823-I920 HydrophobicContact CD1-CD1 4.42Å; L823-I920 HydrophobicContact CD1-CG1 3.75Å
824	V	95.6	Very high	89.6	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	169.9	175.1	0	0	0	0	108	A871 L873 M918 G919 A947 A951	V824-A871 HydrophobicContact CG1-CB 3.68Å; V824-L873 HydrophobicContact CG2-CD1 3.65Å; V824-M918 VanDerWaalsContact O-CA 3.31Å; V824-M918 WeakPolarHBondContact O-CA 3.31Å; V824-G919 PolarHBondContact N-O 3.07Å; V824-G919 PolarHBondContact O-N 2.75Å; V824-A947 HydrophobicContact CG2-CB 3.63Å; V824-A951 HydrophobicContact CB-CB 3.9Å; V824-A951 HydrophobicContact CG1-CB 3.65Å
825	V	94.7	Very high	89.7	Confident	3 Å²	3	53 Å²	53	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.7	175.2	-170.7	0	0	0	0	108.4	L823 F853 Y872 I874 L897 I916 K917 M918	L823-V825 HydrophobicContact CD1-CG2 4.07Å; L823-V825 HydrophobicContact CD2-CG2 4.19Å; L823-V825 HydrophobicContact CG-CG2 3.85Å; V825-F853 HydrophobicContact CG1-CE2 3.99Å; V825-F853 HydrophobicContact CG1-CZ 4.45Å; V825-Y872 PolarHBondContact N-O 2.98Å; V825-Y872 PolarHBondContact O-N 3.46Å; V825-I874 HydrophobicContact CG2-CD1 4.36Å; V825-L897 HydrophobicContact CG2-CD1 3.95Å; V825-I916 HydrophobicContact CG1-CB 3.9Å; V825-I916 HydrophobicContact CG1-CD1 3.75Å; V825-I916 HydrophobicContact CG1-CG1 4.31Å; V825-I916 HydrophobicContact CG1-CG2 4.13Å; V825-K917 WeakPolarHBondContact CA-O 3.18Å; V825-M918 HydrophobicContact CB-CG 4.37Å; V825-M918 HydrophobicContact CG1-CG 4.02Å; V825-M918 HydrophobicContact CG2-CG 4.06Å; V825-M918 HydrophobicContact CG2-SD 4.45Å
826	D	91.8	Very high	89.5	Confident	56 Å²	56	49.9 Å²	49.9	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.2	-179.4	-176.7	26	0	0	0	110.8	A871 I916 K917	D826-A871 HydrophobicContact CB-CB 4.49Å; D826-I916 CarbonylContact O-C 3.55Å; D826-I916 VanDerWaalsContact O-CA 3.22Å; D826-I916 WeakPolarHBondContact O-CA 3.12Å; D826-K917 PolarHBondContact N-O 2.88Å; D826-K917 PolarHBondContact O-N 2.78Å
827	V	90.6	Very high	89.4	Confident	9 Å²	9	45 Å²	45	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.3	179.8	-179.8	0	0	0	0	108.9	Q829 F830 L849 L914 I916	V827-Q829 PolarHBondContact O-N 3.37Å; V827-F830 HydrophobicContact CB-CB 4.21Å; V827-F830 HydrophobicContact CB-CD2 4.19Å; V827-F830 HydrophobicContact CB-CG 4.48Å; V827-F830 HydrophobicContact CG1-CB 4.29Å; V827-F830 HydrophobicContact CG1-CD2 4.01Å; V827-F830 WeakPolarHBondContact O-CB 3.47Å; V827-F830 PolarHBondContact O-N 2.97Å; V827-L849 HydrophobicContact CG2-CD2 4.02Å; V827-L914 HydrophobicContact CG1-CD2 3.99Å; V827-I916 HydrophobicContact CG2-CG2 4.43Å
828	C	88.6	Confident	89.5	Confident	14 Å²	14	48.3 Å²	48.3	10%	0.095	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	135	-177.8	-65.4	0	0	0	0	111.2	F830 Q915 K917	C828-F830 PolarHBondContact O-N 3.27Å; C828-Q915 HydrophobicContact CB-CB 4.13Å; C828-Q915 WeakPolarHBondContact CB-O 3.13Å; C828-Q915 PolarHBondContact N-O 2.92Å; C828-Q915 PolarHBondContact SG-O 3.13Å; C828-K917 VanDerWaalsContact SG-CE 3.58Å; C828-K917 WeakPolarHBondContact SG-CG 3.48Å
829	Q	84.5	Confident	89.6	Confident	121 Å²	121	47.8 Å²	47.8	57%	0.565	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	30.9	176.9	-52.8	-177.1	60.2	0	0	113	V827 T831 K832 F833	V827-Q829 PolarHBondContact O-N 3.37Å; Q829-T831 PolarHBondContact O-N 2.82Å; Q829-K832 HydrophobicContact CB-CB 4.4Å; Q829-K832 HydrophobicContact CB-CD 4.4Å; Q829-K832 PolarHBondContact O-N 3Å; Q829-K832 VanDerWaalsContact OE1-NZ 3.13Å; Q829-F833 PolarHBondContact O-N 3.37Å
830	F	84.3	Confident	89.7	Confident	45 Å²	45	49 Å²	49	20%	0.197	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-36.1	-177.6	-174	-114	0	0	0	113.2	V827 C828 K832 F833 C834 I842 L846	V827-F830 HydrophobicContact CB-CB 4.21Å; V827-F830 HydrophobicContact CB-CD2 4.19Å; V827-F830 HydrophobicContact CB-CG 4.48Å; V827-F830 HydrophobicContact CG1-CB 4.29Å; V827-F830 HydrophobicContact CG1-CD2 4.01Å; V827-F830 WeakPolarHBondContact O-CB 3.47Å; V827-F830 PolarHBondContact O-N 2.97Å; C828-F830 PolarHBondContact O-N 3.27Å; F830-K832 PolarHBondContact O-N 2.93Å; F830-F833 HydrophobicContact CD2-CD1 4.06Å; F830-F833 AromaticContact CE2-CD1 3.88Å; F830-F833 HydrophobicContact CE2-CD1 3.88Å; F830-F833 HydrophobicContact CE2-CE1 4.4Å; F830-F833 CarbonylContact O-C 3.5Å; F830-F833 WeakPolarHBondContact O-CA 3.31Å; F830-F833 VanDerWaalsContact O-CB 3.29Å; F830-F833 WeakPolarHBondContact O-CB 3.23Å; F830-F833 PolarHBondContact O-N 2Å; F830-F833 VanDerWaalsContact O-N 3.12Å; F830-C834 VanDerWaalsContact CE1-SG 3.51Å; F830-C834 WeakPolarHBondContact CZ-SG 3.1Å; F830-C834 PolarHBondContact O-N 3.25Å; F830-C834 PolarHBondContact O-SG 2.97Å; F830-C834 VanDerWaalsContact O-SG 3.38Å; F830-I842 HydrophobicContact CE2-CG2 4.44Å; F830-I842 HydrophobicContact CZ-CG2 4.22Å; F830-L846 HydrophobicContact CE2-CD1 4.25Å; F830-L846 HydrophobicContact CE2-CD2 3.87Å; F830-L846 HydrophobicContact CE2-CG 4.35Å; F830-L846 HydrophobicContact CZ-CD1 3.9Å; F830-L846 HydrophobicContact CZ-CD2 4.29Å; F830-L846 HydrophobicContact CZ-CG 4.49Å
831	T	85.2	Confident	89.6	Confident	102 Å²	102	51.7 Å²	51.7	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-58.6	-46.3	173.9	-45.3	0	0	0	0	112.6	Q829 F833 C834 E835	Q829-T831 PolarHBondContact O-N 2.82Å; T831-F833 VanDerWaalsContact C-N 3.27Å; T831-F833 PolarHBondContact O-N 2.97Å; T831-C834 PolarHBondContact O-N 3.31Å; T831-C834 VanDerWaalsContact O-N 3.16Å; T831-E835 WeakPolarHBondContact O-CG 3.36Å; T831-E835 PolarHBondContact O-N 2.88Å
832	K	85.3	Confident	89.3	Confident	129 Å²	129	52.6 Å²	52.6	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-67.4	-31.3	176.3	-65.1	-175.1	-174.2	172.5	0	112	Q829 F830 A836	Q829-K832 HydrophobicContact CB-CB 4.4Å; Q829-K832 HydrophobicContact CB-CD 4.4Å; Q829-K832 PolarHBondContact O-N 3Å; Q829-K832 VanDerWaalsContact OE1-NZ 3.13Å; F830-K832 PolarHBondContact O-N 2.93Å; K832-A836 WeakPolarHBondContact O-CB 3.45Å; K832-A836 PolarHBondContact O-N 3.28Å
833	F	84.5	Confident	89.1	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-48.6	171	179.1	-98.8	0	0	0	109.8	Q829 F830 T831 E835 A836 F837 I842 T845 V906 H912 L914	Q829-F833 PolarHBondContact O-N 3.37Å; F830-F833 HydrophobicContact CD2-CD1 4.06Å; F830-F833 AromaticContact CE2-CD1 3.88Å; F830-F833 HydrophobicContact CE2-CD1 3.88Å; F830-F833 HydrophobicContact CE2-CE1 4.4Å; F830-F833 CarbonylContact O-C 3.5Å; F830-F833 WeakPolarHBondContact O-CA 3.31Å; F830-F833 VanDerWaalsContact O-CB 3.29Å; F830-F833 WeakPolarHBondContact O-CB 3.23Å; F830-F833 PolarHBondContact O-N 2Å; F830-F833 VanDerWaalsContact O-N 3.12Å; T831-F833 VanDerWaalsContact C-N 3.27Å; T831-F833 PolarHBondContact O-N 2.97Å; F833-E835 VanDerWaalsContact C-N 3.32Å; F833-E835 PolarHBondContact O-N 3.39Å; F833-A836 PolarHBondContact O-N 3.17Å; F833-F837 AromaticContact CD2-CD2 3.77Å; F833-F837 HydrophobicContact CD2-CD2 3.77Å; F833-F837 AromaticContact CD2-CE2 3.5Å; F833-F837 HydrophobicContact CD2-CE2 3.5Å; F833-F837 VanDerWaalsContact CD2-CE2 3.5Å; F833-F837 HydrophobicContact CE1-CD2 4.46Å; F833-F837 AromaticContact CE2-CD2 3.59Å; F833-F837 HydrophobicContact CE2-CD2 3.59Å; F833-F837 AromaticContact CE2-CE2 3.27Å; F833-F837 HydrophobicContact CE2-CE2 3.27Å; F833-F837 AromaticContact CE2-CZ 3.95Å; F833-F837 HydrophobicContact CE2-CZ 3.95Å; F833-F837 HydrophobicContact CG-CD2 4.28Å; F833-F837 HydrophobicContact CG-CE2 4.41Å; F833-F837 AromaticContact CZ-CD2 3.96Å; F833-F837 HydrophobicContact CZ-CD2 3.96Å; F833-F837 HydrophobicContact CZ-CE2 4.05Å; F833-F837 VanDerWaalsContact O-CD2 3.3Å; F833-F837 WeakPolarHBondContact O-CD2 3.2Å; F833-F837 PolarHBondContact O-N 2.85Å; F833-I842 HydrophobicContact CE1-CB 4.43Å; F833-I842 HydrophobicContact CE1-CG1 4.2Å; F833-I842 HydrophobicContact CE1-CG2 4.13Å; F833-T845 HydrophobicContact CZ-CG2 3.9Å; F833-V906 HydrophobicContact CE2-CG1 4.34Å; F833-V906 HydrophobicContact CE2-CG2 4.24Å; F833-V906 HydrophobicContact CZ-CG1 4.48Å; F833-H912 AromaticContact CD2-CD2 3.89Å; F833-H912 AromaticContact CD2-NE2 3.79Å; F833-L914 HydrophobicContact CD2-CD2 3.7Å; F833-L914 HydrophobicContact CE2-CD1 4.19Å; F833-L914 HydrophobicContact CE2-CD2 4.02Å; F833-L914 HydrophobicContact CE2-CG 4.38Å; F833-L914 HydrophobicContact CG-CD2 4.15Å; F833-L914 HydrophobicContact CZ-CD1 4.37Å
834	C	87.7	Confident	88.8	Confident	46 Å²	46	62.4 Å²	62.4	31%	0.311	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-36.2	177.7	-66.3	0	0	0	0	113.7	F830 T831 A836 I842	F830-C834 VanDerWaalsContact CE1-SG 3.51Å; F830-C834 WeakPolarHBondContact CZ-SG 3.1Å; F830-C834 PolarHBondContact O-N 3.25Å; F830-C834 PolarHBondContact O-SG 2.97Å; F830-C834 VanDerWaalsContact O-SG 3.38Å; T831-C834 PolarHBondContact O-N 3.31Å; T831-C834 VanDerWaalsContact O-N 3.16Å; C834-A836 PolarHBondContact O-N 2.85Å; C834-I842 HydrophobicContact CB-CD1 4Å
835	E	87.8	Confident	88.6	Confident	152 Å²	152	62.4 Å²	62.4	71%	0.71	33%	0.332	S	S	*	.	H	α-helix	trans	-65.8	-24.9	175	-72	169.5	-175.6	0	0	113.1	T831 F833	T831-E835 WeakPolarHBondContact O-CG 3.36Å; T831-E835 PolarHBondContact O-N 2.88Å; F833-E835 VanDerWaalsContact C-N 3.32Å; F833-E835 PolarHBondContact O-N 3.39Å
836	A	84.6	Confident	88.3	Confident	52 Å²	52	63.7 Å²	63.7	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-93	-11.6	-173.9	0	0	0	0	0	114.7	K832 F833 C834	K832-A836 WeakPolarHBondContact O-CB 3.45Å; K832-A836 PolarHBondContact O-N 3.28Å; F833-A836 PolarHBondContact O-N 3.17Å; C834-A836 PolarHBondContact O-N 2.85Å
837	F	86.1	Confident	88.3	Confident	27 Å²	27	67 Å²	67	12%	0.118	35%	0.353	C	S	.	.	S	Bend	trans	-131	153.6	-174.4	-68.3	-89.1	0	0	0	112	F833 H841 I842 V906 H908 R909	F833-F837 AromaticContact CD2-CD2 3.77Å; F833-F837 HydrophobicContact CD2-CD2 3.77Å; F833-F837 AromaticContact CD2-CE2 3.5Å; F833-F837 HydrophobicContact CD2-CE2 3.5Å; F833-F837 VanDerWaalsContact CD2-CE2 3.5Å; F833-F837 HydrophobicContact CE1-CD2 4.46Å; F833-F837 AromaticContact CE2-CD2 3.59Å; F833-F837 HydrophobicContact CE2-CD2 3.59Å; F833-F837 AromaticContact CE2-CE2 3.27Å; F833-F837 HydrophobicContact CE2-CE2 3.27Å; F833-F837 AromaticContact CE2-CZ 3.95Å; F833-F837 HydrophobicContact CE2-CZ 3.95Å; F833-F837 HydrophobicContact CG-CD2 4.28Å; F833-F837 HydrophobicContact CG-CE2 4.41Å; F833-F837 AromaticContact CZ-CD2 3.96Å; F833-F837 HydrophobicContact CZ-CD2 3.96Å; F833-F837 HydrophobicContact CZ-CE2 4.05Å; F833-F837 VanDerWaalsContact O-CD2 3.3Å; F833-F837 WeakPolarHBondContact O-CD2 3.2Å; F833-F837 PolarHBondContact O-N 2.85Å; F837-H841 HydrophobicContact CB-CB 4.49Å; F837-H841 HydrophobicContact CD1-CB 4.45Å; F837-I842 HydrophobicContact CB-CD1 4.26Å; F837-I842 HydrophobicContact CB-CG1 3.7Å; F837-V906 HydrophobicContact CE1-CG1 4.27Å; F837-V906 HydrophobicContact CZ-CG1 4.19Å; F837-H908 HydrophobicContact CD1-CB 4.5Å; F837-H908 HydrophobicContact CE1-CB 4.25Å; F837-R909 HydrophobicContact CE1-CB 3.62Å; F837-R909 HydrophobicContact CZ-CB 3.55Å; F837-R909 HydrophobicContact CZ-CG 4.24Å
838	I	91.2	Very high	88.3	Confident	94 Å²	94	70.9 Å²	70.9	48%	0.482	37%	0.37	S	S	.	.			trans	-72.1	149.1	170.7	60.4	171	0	0	0	110.6	V840 H841 I842	I838-V840 VanDerWaalsContact C-N 3.31Å; I838-V840 HydrophobicContact CD1-CG1 3.75Å; I838-V840 HydrophobicContact CG1-CG1 4.07Å; I838-V840 PolarHBondContact O-N 2.59Å; I838-V840 VanDerWaalsContact O-N 3.12Å; I838-H841 HydrophobicContact CG1-CB 4.06Å; I838-H841 VanDerWaalsContact CG1-ND1 3.34Å; I838-H841 WeakPolarHBondContact CG1-ND1 3.43Å; I838-H841 PolarHBondContact O-N 3.13Å; I838-I842 PolarHBondContact O-N 3.41Å
839	P	90.1	Very high	88.5	Confident	98 Å²	98	70.3 Å²	70.3	64%	0.636	37%	0.366	S	S	*	.	H	α-helix	trans	-50.9	-40.7	-173.4	-31.8	36.7	0	0	0	115.9	H841 I842 L843	P839-H841 PolarHBondContact O-N 3.04Å; P839-I842 WeakPolarHBondContact O-CB 2.99Å; P839-I842 PolarHBondContact O-N 3.42Å; P839-L843 WeakPolarHBondContact O-CG 2.95Å; P839-L843 PolarHBondContact O-N 3.29Å
840	V	92.2	Very high	88.9	Confident	74 Å²	74	67.1 Å²	67.1	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-38.9	-179.9	69	0	0	0	0	112.3	I838 I842 L843 E844	I838-V840 VanDerWaalsContact C-N 3.31Å; I838-V840 HydrophobicContact CD1-CG1 3.75Å; I838-V840 HydrophobicContact CG1-CG1 4.07Å; I838-V840 PolarHBondContact O-N 2.59Å; I838-V840 VanDerWaalsContact O-N 3.12Å; V840-I842 VanDerWaalsContact C-N 3.29Å; V840-I842 PolarHBondContact O-N 3.34Å; V840-L843 PolarHBondContact O-N 3.02Å; V840-E844 WeakPolarHBondContact O-CG 3.5Å; V840-E844 PolarHBondContact O-N 3.16Å
841	H	90.1	Very high	89.2	Confident	56 Å²	56	67.2 Å²	67.2	26%	0.259	36%	0.356	S	S	.	.	H	α-helix	trans	-67.9	-32.4	176.8	-66.4	171	0	0	0	111.8	F837 I838 P839 E844 T845 H908	F837-H841 HydrophobicContact CB-CB 4.49Å; F837-H841 HydrophobicContact CD1-CB 4.45Å; I838-H841 HydrophobicContact CG1-CB 4.06Å; I838-H841 VanDerWaalsContact CG1-ND1 3.34Å; I838-H841 WeakPolarHBondContact CG1-ND1 3.43Å; I838-H841 PolarHBondContact O-N 3.13Å; P839-H841 PolarHBondContact O-N 3.04Å; H841-E844 IonicContact CD2-OE2 2.63Å; H841-T845 WeakPolarHBondContact O-CB 3.33Å; H841-T845 PolarHBondContact O-N 3.28Å; H841-T845 VanDerWaalsContact O-N 3.07Å; H841-T845 PolarHBondContact O-OG1 3.45Å; H841-H908 AromaticContact CD2-CD2 3.65Å; H841-H908 AromaticContact CD2-CE1 3.44Å; H841-H908 PolarHBondContact CD2-CE1 2.56Å; H841-H908 VanDerWaalsContact CD2-CE1 3.44Å; H841-H908 AromaticContact CD2-CG 3.9Å; H841-H908 AromaticContact CD2-ND1 3.84Å; H841-H908 AromaticContact CD2-NE2 3.33Å; H841-H908 PolarHBondContact CD2-NE2 3.09Å; H841-H908 VanDerWaalsContact CD2-NE2 3.33Å; H841-H908 AromaticContact CE1-ND1 3.96Å; H841-H908 AromaticContact CG-CD2 3.49Å; H841-H908 VanDerWaalsContact CG-CD2 3.49Å; H841-H908 AromaticContact CG-CG 3.69Å; H841-H908 AromaticContact CG-NE2 3.7Å; H841-H908 AromaticContact ND1-CG 3.85Å; H841-H908 AromaticContact NE2-CE1 3.64Å; H841-H908 AromaticContact NE2-ND1 3.81Å
842	I	89.4	Confident	89.5	Confident	20 Å²	20	63.8 Å²	63.8	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-49	173.4	-61.2	166.2	0	0	0	109.2	F830 F833 C834 F837 I838 P839 V840 T845 L846	F830-I842 HydrophobicContact CE2-CG2 4.44Å; F830-I842 HydrophobicContact CZ-CG2 4.22Å; F833-I842 HydrophobicContact CE1-CB 4.43Å; F833-I842 HydrophobicContact CE1-CG1 4.2Å; F833-I842 HydrophobicContact CE1-CG2 4.13Å; C834-I842 HydrophobicContact CB-CD1 4Å; F837-I842 HydrophobicContact CB-CD1 4.26Å; F837-I842 HydrophobicContact CB-CG1 3.7Å; I838-I842 PolarHBondContact O-N 3.41Å; P839-I842 WeakPolarHBondContact O-CB 2.99Å; P839-I842 PolarHBondContact O-N 3.42Å; V840-I842 VanDerWaalsContact C-N 3.29Å; V840-I842 PolarHBondContact O-N 3.34Å; I842-T845 PolarHBondContact O-N 2.89Å; I842-L846 HydrophobicContact CG2-CD1 4.1Å; I842-L846 HydrophobicContact CG2-CG 4.4Å; I842-L846 WeakPolarHBondContact O-CB 3.36Å; I842-L846 WeakPolarHBondContact O-CG 3.45Å; I842-L846 PolarHBondContact O-N 3.1Å
843	L	90.7	Very high	90	Very high	115 Å²	115	57.7 Å²	57.7	60%	0.602	31%	0.309	S	S	*	.	H	α-helix	trans	-60.7	-45.2	178.7	-73.5	171.3	0	0	0	112.5	P839 V840 T845 L846 Q847	P839-L843 WeakPolarHBondContact O-CG 2.95Å; P839-L843 PolarHBondContact O-N 3.29Å; V840-L843 PolarHBondContact O-N 3.02Å; L843-T845 VanDerWaalsContact C-N 3.34Å; L843-T845 PolarHBondContact O-N 3.49Å; L843-L846 PolarHBondContact O-N 2.63Å; L843-Q847 VanDerWaalsContact O-CB 3.31Å; L843-Q847 WeakPolarHBondContact O-CB 3.31Å; L843-Q847 PolarHBondContact O-N 2.79Å
844	E	90.3	Very high	90.3	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-41.8	176.8	-72.4	177	164.5	0	0	112	V840 H841 Q847 E848 H908	V840-E844 WeakPolarHBondContact O-CG 3.5Å; V840-E844 PolarHBondContact O-N 3.16Å; H841-E844 IonicContact CD2-OE2 2.63Å; E844-Q847 PolarHBondContact O-N 3.44Å; E844-E848 PolarHBondContact O-N 2.88Å; E844-H908 IonicContact OE2-CD2 3.62Å; E844-H908 IonicContact OE2-CE1 3.12Å; E844-H908 PolarHBondContact OE2-CE1 2.92Å; E844-H908 IonicContact OE2-NE2 3.97Å; E844-H908 PolarHBondContact OE2-NE2 3.15Å
845	T	89.9	Confident	90.4	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-43.3	177.8	-54.5	0	0	0	0	111.2	F833 H841 I842 L843 E848 L849 F904 V906 L914	F833-T845 HydrophobicContact CZ-CG2 3.9Å; H841-T845 WeakPolarHBondContact O-CB 3.33Å; H841-T845 PolarHBondContact O-N 3.28Å; H841-T845 VanDerWaalsContact O-N 3.07Å; H841-T845 PolarHBondContact O-OG1 3.45Å; I842-T845 PolarHBondContact O-N 2.89Å; L843-T845 VanDerWaalsContact C-N 3.34Å; L843-T845 PolarHBondContact O-N 3.49Å; T845-E848 PolarHBondContact O-N 2.44Å; T845-L849 VanDerWaalsContact O-CB 3.23Å; T845-L849 WeakPolarHBondContact O-CB 3.42Å; T845-L849 PolarHBondContact O-N 3.47Å; T845-F904 HydrophobicContact CG2-CE1 4.11Å; T845-F904 HydrophobicContact CG2-CZ 4.07Å; T845-V906 HydrophobicContact CG2-CG1 4.06Å; T845-V906 HydrophobicContact CG2-CG2 4.07Å; T845-L914 HydrophobicContact CG2-CD1 4Å
846	L	89.7	Confident	90.7	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-39.2	176.1	-73.7	-179.8	0	0	0	112.1	F830 I842 L843 L849 Y850	F830-L846 HydrophobicContact CE2-CD1 4.25Å; F830-L846 HydrophobicContact CE2-CD2 3.87Å; F830-L846 HydrophobicContact CE2-CG 4.35Å; F830-L846 HydrophobicContact CZ-CD1 3.9Å; F830-L846 HydrophobicContact CZ-CD2 4.29Å; F830-L846 HydrophobicContact CZ-CG 4.49Å; I842-L846 HydrophobicContact CG2-CD1 4.1Å; I842-L846 HydrophobicContact CG2-CG 4.4Å; I842-L846 WeakPolarHBondContact O-CB 3.36Å; I842-L846 WeakPolarHBondContact O-CG 3.45Å; I842-L846 PolarHBondContact O-N 3.1Å; L843-L846 PolarHBondContact O-N 2.63Å; L846-L849 HydrophobicContact CD2-CD2 4.41Å; L846-L849 PolarHBondContact O-N 3.1Å; L846-Y850 HydrophobicContact CB-CD2 4.34Å; L846-Y850 HydrophobicContact CB-CE2 4.38Å; L846-Y850 HydrophobicContact CD2-CE2 3.97Å; L846-Y850 VanDerWaalsContact O-CB 3.31Å; L846-Y850 WeakPolarHBondContact O-CB 3.46Å; L846-Y850 PolarHBondContact O-N 3.49Å
847	Q	91.6	Very high	91	Very high	126 Å²	126	53.4 Å²	53.4	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-61.2	-47	176.3	-177.8	62.4	28.4	0	0	110.5	L843 E844 S851	L843-Q847 VanDerWaalsContact O-CB 3.31Å; L843-Q847 WeakPolarHBondContact O-CB 3.31Å; L843-Q847 PolarHBondContact O-N 2.79Å; E844-Q847 PolarHBondContact O-N 3.44Å; Q847-S851 PolarHBondContact NE2-OG 3.1Å; Q847-S851 WeakPolarHBondContact O-CB 3.22Å; Q847-S851 PolarHBondContact O-N 3.47Å; Q847-S851 PolarHBondContact O-OG 2.84Å
848	E	90.9	Very high	91	Very high	90 Å²	90	59.1 Å²	59.1	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-44	177.7	-167.7	-176.3	169.5	0	0	111.8	E844 T845 S852 F904	E844-E848 PolarHBondContact O-N 2.88Å; T845-E848 PolarHBondContact O-N 2.44Å; E848-S852 WeakPolarHBondContact O-CB 3.33Å; E848-S852 PolarHBondContact O-N 2.71Å; E848-S852 VanDerWaalsContact O-N 3.15Å; E848-S852 PolarHBondContact O-OG 2.76Å; E848-F904 HydrophobicContact CB-CE2 4.3Å; E848-F904 HydrophobicContact CG-CE2 3.95Å
849	L	91.9	Very high	90.7	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-56	178.4	-176.3	73.4	0	0	0	111.3	V827 T845 L846 S852 F853 F900 M901 F904	V827-L849 HydrophobicContact CG2-CD2 4.02Å; T845-L849 VanDerWaalsContact O-CB 3.23Å; T845-L849 WeakPolarHBondContact O-CB 3.42Å; T845-L849 PolarHBondContact O-N 3.47Å; L846-L849 HydrophobicContact CD2-CD2 4.41Å; L846-L849 PolarHBondContact O-N 3.1Å; L849-S852 WeakPolarHBondContact O-CB 3.07Å; L849-S852 PolarHBondContact O-N 2.89Å; L849-F853 HydrophobicContact CD1-CE1 3.71Å; L849-F853 HydrophobicContact CD1-CE2 4.46Å; L849-F853 HydrophobicContact CD1-CZ 3.64Å; L849-F853 HydrophobicContact CD2-CE2 4.46Å; L849-F853 HydrophobicContact CD2-CZ 4.32Å; L849-F853 HydrophobicContact CG-CE1 4.07Å; L849-F853 HydrophobicContact CG-CE2 4.14Å; L849-F853 HydrophobicContact CG-CZ 3.8Å; L849-F853 WeakPolarHBondContact O-CD1 3.43Å; L849-F853 WeakPolarHBondContact O-CG 3.16Å; L849-F853 PolarHBondContact O-N 3.05Å; L849-F900 HydrophobicContact CD1-CE1 4.1Å; L849-M901 HydrophobicContact CD1-CE 4.12Å; L849-M901 HydrophobicContact CD1-SD 3.57Å; L849-M901 VanDerWaalsContact CD1-SD 3.57Å; L849-F904 HydrophobicContact CB-CE1 4.49Å; L849-F904 HydrophobicContact CB-CE2 4.5Å; L849-F904 HydrophobicContact CB-CZ 4.04Å; L849-F904 HydrophobicContact CD1-CD1 4.07Å; L849-F904 HydrophobicContact CD1-CE1 3.94Å; L849-F904 HydrophobicContact CD1-CE2 4.46Å; L849-F904 HydrophobicContact CD1-CG 4.38Å; L849-F904 HydrophobicContact CD1-CZ 4.14Å
850	Y	92.6	Very high	90.5	Very high	54 Å²	54	58.2 Å²	58.2	21%	0.212	29%	0.292	C	S	.	.	H	α-helix	trans	-72.6	-32.2	-176.8	-66.8	-30.9	0	0	0	112.9	L846 S852 F853 D854 Y872	L846-Y850 HydrophobicContact CB-CD2 4.34Å; L846-Y850 HydrophobicContact CB-CE2 4.38Å; L846-Y850 HydrophobicContact CD2-CE2 3.97Å; L846-Y850 VanDerWaalsContact O-CB 3.31Å; L846-Y850 WeakPolarHBondContact O-CB 3.46Å; L846-Y850 PolarHBondContact O-N 3.49Å; Y850-S852 VanDerWaalsContact C-N 3.26Å; Y850-S852 PolarHBondContact O-N 3.44Å; Y850-F853 AromaticContact CD1-CD2 3.79Å; Y850-F853 HydrophobicContact CD1-CD2 3.79Å; Y850-F853 HydrophobicContact CD1-CE2 4.17Å; Y850-F853 HydrophobicContact CE1-CD2 4.23Å; Y850-F853 HydrophobicContact CE1-CE2 4.25Å; Y850-F853 PolarHBondContact O-N 3.05Å; Y850-D854 WeakPolarHBondContact O-CB 3.43Å; Y850-D854 PolarHBondContact O-N 3.21Å; Y850-Y872 AromaticContact CD1-CD2 3.41Å; Y850-Y872 HydrophobicContact CD1-CD2 3.41Å; Y850-Y872 VanDerWaalsContact CD1-CD2 3.41Å; Y850-Y872 AromaticContact CD1-CE2 3.89Å; Y850-Y872 HydrophobicContact CD1-CE2 3.89Å; Y850-Y872 HydrophobicContact CD1-CG 4.23Å; Y850-Y872 AromaticContact CE1-CD2 3.64Å; Y850-Y872 HydrophobicContact CE1-CD2 3.64Å; Y850-Y872 HydrophobicContact CE1-CG 4.14Å; Y850-Y872 HydrophobicContact CG-CD2 4.03Å; Y850-Y872 HydrophobicContact CG-CE2 4.24Å
851	S	91.5	Very high	90.1	Very high	48 Å²	48	61.6 Å²	61.6	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-38.2	171.4	-60.7	0	0	0	0	111.4	Q847 N855	Q847-S851 PolarHBondContact NE2-OG 3.1Å; Q847-S851 WeakPolarHBondContact O-CB 3.22Å; Q847-S851 PolarHBondContact O-N 3.47Å; Q847-S851 PolarHBondContact O-OG 2.84Å; S851-N855 WeakPolarHBondContact O-CB 3.39Å; S851-N855 PolarHBondContact O-N 3.23Å
852	S	91.9	Very high	90.1	Very high	30 Å²	30	59.9 Å²	59.9	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-68.7	-38.8	176	-59.6	0	0	0	0	111.7	E848 L849 Y850 N855 I856 F900	E848-S852 WeakPolarHBondContact O-CB 3.33Å; E848-S852 PolarHBondContact O-N 2.71Å; E848-S852 VanDerWaalsContact O-N 3.15Å; E848-S852 PolarHBondContact O-OG 2.76Å; L849-S852 WeakPolarHBondContact O-CB 3.07Å; L849-S852 PolarHBondContact O-N 2.89Å; Y850-S852 VanDerWaalsContact C-N 3.26Å; Y850-S852 PolarHBondContact O-N 3.44Å; S852-N855 PolarHBondContact O-N 3.43Å; S852-I856 WeakPolarHBondContact O-CG1 3.36Å; S852-I856 PolarHBondContact O-N 2.02Å; S852-I856 VanDerWaalsContact O-N 3.12Å; S852-F900 WeakPolarHBondContact OG-CZ 3.18Å
853	F	94.6	Very high	90	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-48.3	174.1	-68.3	5.5	0	0	0	111	V825 L849 Y850 N855 I856 V857 Y872 L897 F900 M901 I916	V825-F853 HydrophobicContact CG1-CE2 3.99Å; V825-F853 HydrophobicContact CG1-CZ 4.45Å; L849-F853 HydrophobicContact CD1-CE1 3.71Å; L849-F853 HydrophobicContact CD1-CE2 4.46Å; L849-F853 HydrophobicContact CD1-CZ 3.64Å; L849-F853 HydrophobicContact CD2-CE2 4.46Å; L849-F853 HydrophobicContact CD2-CZ 4.32Å; L849-F853 HydrophobicContact CG-CE1 4.07Å; L849-F853 HydrophobicContact CG-CE2 4.14Å; L849-F853 HydrophobicContact CG-CZ 3.8Å; L849-F853 WeakPolarHBondContact O-CD1 3.43Å; L849-F853 WeakPolarHBondContact O-CG 3.16Å; L849-F853 PolarHBondContact O-N 3.05Å; Y850-F853 AromaticContact CD1-CD2 3.79Å; Y850-F853 HydrophobicContact CD1-CD2 3.79Å; Y850-F853 HydrophobicContact CD1-CE2 4.17Å; Y850-F853 HydrophobicContact CE1-CD2 4.23Å; Y850-F853 HydrophobicContact CE1-CE2 4.25Å; Y850-F853 PolarHBondContact O-N 3.05Å; F853-N855 VanDerWaalsContact C-N 3.27Å; F853-N855 PolarHBondContact O-N 3.09Å; F853-I856 PolarHBondContact O-N 2.86Å; F853-V857 WeakPolarHBondContact O-CG2 3.37Å; F853-V857 PolarHBondContact O-N 3.36Å; F853-Y872 HydrophobicContact CB-CE1 3.97Å; F853-Y872 HydrophobicContact CB-CE2 4.06Å; F853-Y872 HydrophobicContact CD2-CD1 4.04Å; F853-Y872 HydrophobicContact CD2-CD2 4.16Å; F853-Y872 HydrophobicContact CD2-CE1 4.21Å; F853-Y872 HydrophobicContact CD2-CE2 4.3Å; F853-Y872 HydrophobicContact CD2-CG 4.03Å; F853-L897 HydrophobicContact CB-CD2 4.1Å; F853-L897 HydrophobicContact CD1-CD2 3.3Å; F853-L897 HydrophobicContact CD2-CD2 4.33Å; F853-L897 HydrophobicContact CE1-CD2 3.69Å; F853-L897 HydrophobicContact CG-CD2 3.66Å; F853-L897 HydrophobicContact CZ-CD2 4.36Å; F853-F900 HydrophobicContact CD1-CD1 4.22Å; F853-F900 HydrophobicContact CD1-CE1 4.14Å; F853-F900 AromaticContact CE1-CD1 3.78Å; F853-F900 HydrophobicContact CE1-CD1 3.78Å; F853-F900 AromaticContact CE1-CE1 3.78Å; F853-F900 HydrophobicContact CE1-CE1 3.78Å; F853-M901 HydrophobicContact CE1-SD 4.03Å; F853-M901 HydrophobicContact CZ-SD 4.01Å; F853-I916 HydrophobicContact CZ-CD1 4.47Å; F853-I916 HydrophobicContact CZ-CG2 4.47Å
854	D	91.3	Very high	90	Very high	57 Å²	57	59.1 Å²	59.1	31%	0.305	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-43.2	178.3	-68.4	-11.3	0	0	0	110.1	Y850 I856 V857 Q858 K864 Y872	Y850-D854 WeakPolarHBondContact O-CB 3.43Å; Y850-D854 PolarHBondContact O-N 3.21Å; D854-I856 PolarHBondContact O-N 3.2Å; D854-V857 PolarHBondContact O-N 3.07Å; D854-Q858 VanDerWaalsContact O-CB 3.27Å; D854-Q858 WeakPolarHBondContact O-CB 3Å; D854-Q858 PolarHBondContact O-N 2.84Å; D854-K864 WeakPolarHBondContact OD1-CD 3.34Å; D854-K864 IonicContact OD1-NZ 3.48Å; D854-K864 PolarHBondContact OD1-NZ 3.23Å; D854-K864 IonicContact OD2-NZ 3.6Å; D854-K864 PolarHBondContact OD2-NZ 2.93Å; D854-Y872 PolarHBondContact N-OH 2.98Å; D854-Y872 WeakPolarHBondContact OD1-CE2 3.33Å; D854-Y872 VanDerWaalsContact OD1-CZ 3.29Å; D854-Y872 PolarHBondContact OD1-OH 3.06Å
855	N	90.9	Very high	89.9	Confident	73 Å²	73	55.1 Å²	55.1	39%	0.39	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-39.2	175.8	-172.7	6.7	0	0	0	113.2	S851 S852 F853 K859	S851-N855 WeakPolarHBondContact O-CB 3.39Å; S851-N855 PolarHBondContact O-N 3.23Å; S852-N855 PolarHBondContact O-N 3.43Å; F853-N855 VanDerWaalsContact C-N 3.27Å; F853-N855 PolarHBondContact O-N 3.09Å; N855-K859 WeakPolarHBondContact O-CG 2.99Å; N855-K859 PolarHBondContact O-N 2.81Å; N855-K859 WeakPolarHBondContact OD1-CE 3.31Å; N855-K859 PolarHBondContact OD1-NZ 2.79Å
856	I	92.8	Very high	89.5	Confident	28 Å²	28	59.7 Å²	59.7	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-42.6	175.3	-68.8	165.4	0	0	0	110.3	S852 F853 D854 N860 I893 K896 L897 F900	S852-I856 WeakPolarHBondContact O-CG1 3.36Å; S852-I856 PolarHBondContact O-N 2.02Å; S852-I856 VanDerWaalsContact O-N 3.12Å; F853-I856 PolarHBondContact O-N 2.86Å; D854-I856 PolarHBondContact O-N 3.2Å; I856-N860 PolarHBondContact O-OD1 3.18Å; I856-I893 HydrophobicContact CG2-CG2 4.2Å; I856-K896 HydrophobicContact CG2-CB 3.91Å; I856-K896 HydrophobicContact CG2-CD 3.97Å; I856-L897 HydrophobicContact CD1-CD2 3.81Å; I856-L897 HydrophobicContact CG2-CD2 4.49Å; I856-F900 HydrophobicContact CD1-CB 4.22Å; I856-F900 HydrophobicContact CD1-CG 4.48Å
857	V	91.5	Very high	88.4	Confident	6 Å²	6	60.3 Å²	60.3	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-47.5	179.1	173.6	0	0	0	0	110.6	F853 D854 K859 N860 A862 Y872 I874 I893	F853-V857 WeakPolarHBondContact O-CG2 3.37Å; F853-V857 PolarHBondContact O-N 3.36Å; D854-V857 PolarHBondContact O-N 3.07Å; V857-K859 VanDerWaalsContact C-N 3.28Å; V857-K859 PolarHBondContact O-N 2.9Å; V857-N860 CarbonylContact O-C 3.49Å; V857-N860 WeakPolarHBondContact O-CA 3.41Å; V857-N860 PolarHBondContact O-N 3.48Å; V857-A862 HydrophobicContact CG1-CB 4.14Å; V857-A862 WeakPolarHBondContact CG1-O 3.25Å; V857-Y872 HydrophobicContact CG2-CE1 4.33Å; V857-I874 HydrophobicContact CG1-CG2 4.19Å; V857-I874 HydrophobicContact CG2-CD1 3.69Å; V857-I874 HydrophobicContact CG2-CG1 3.86Å; V857-I874 HydrophobicContact CG2-CG2 4.14Å; V857-I893 HydrophobicContact CG2-CG2 4.35Å
858	Q	85.8	Confident	86.9	Confident	147 Å²	147	61.8 Å²	61.8	69%	0.687	31%	0.311	S	S	*	.	H	α-helix	trans	-62.9	-30.7	-178.2	-168.9	-178.6	20	0	0	113.2	D854 N860	D854-Q858 VanDerWaalsContact O-CB 3.27Å; D854-Q858 WeakPolarHBondContact O-CB 3Å; D854-Q858 PolarHBondContact O-N 2.84Å; Q858-N860 PolarHBondContact O-N 3.26Å
859	K	85.7	Confident	85.6	Confident	152 Å²	152	60 Å²	60	66%	0.661	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-10.6	174.5	-75.9	173.1	177.4	161.5	0	113.6	N855 V857	N855-K859 WeakPolarHBondContact O-CG 2.99Å; N855-K859 PolarHBondContact O-N 2.81Å; N855-K859 WeakPolarHBondContact OD1-CE 3.31Å; N855-K859 PolarHBondContact OD1-NZ 2.79Å; V857-K859 VanDerWaalsContact C-N 3.28Å; V857-K859 PolarHBondContact O-N 2.9Å
860	N	84.3	Confident	84.6	Confident	21 Å²	21	66 Å²	66	11%	0.112	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	165.1	179.3	-82.3	92	0	0	0	109.7	I856 V857 Q858 A862 E889 I893 K896	I856-N860 PolarHBondContact O-OD1 3.18Å; V857-N860 CarbonylContact O-C 3.49Å; V857-N860 WeakPolarHBondContact O-CA 3.41Å; V857-N860 PolarHBondContact O-N 3.48Å; Q858-N860 PolarHBondContact O-N 3.26Å; N860-A862 PolarHBondContact O-N 3.23Å; N860-E889 PolarHBondContact ND2-OE2 3.29Å; N860-I893 HydrophobicContact CB-CD1 3.71Å; N860-I893 HydrophobicContact CB-CG1 3.74Å; N860-K896 PolarHBondContact OD1-NZ 3.28Å
861	K	84.5	Confident	84.1	Confident	145 Å²	145	64.5 Å²	64.5	63%	0.63	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	64	177.5	-63.9	-169.3	178.3	-166.8	0	110.3	S876 M881 E889	K861-S876 PolarHBondContact O-OG 3.43Å; K861-M881 HydrophobicContact CB-CE 4.09Å; K861-M881 HydrophobicContact CB-SD 4.42Å; K861-M881 VanDerWaalsContact O-CE 3.31Å; K861-M881 WeakPolarHBondContact O-CE 3.25Å; K861-E889 HydrophobicContact CB-CG 4.31Å
862	A	89.5	Confident	84.1	Confident	20 Å²	20	62.7 Å²	62.7	17%	0.165	33%	0.333	C	S	.	.			trans	-141.3	160.3	178.2	0	0	0	0	0	110.5	V857 N860 I874 C875 I890 I893	V857-A862 HydrophobicContact CG1-CB 4.14Å; V857-A862 WeakPolarHBondContact CG1-O 3.25Å; N860-A862 PolarHBondContact O-N 3.23Å; A862-I874 HydrophobicContact CB-CG2 3.74Å; A862-C875 WeakPolarHBondContact CA-O 3.48Å; A862-I890 HydrophobicContact CB-CD1 4.43Å; A862-I893 HydrophobicContact CB-CD1 3.34Å
863	F	89.1	Confident	84.2	Confident	36 Å²	36	61.4 Å²	61.4	16%	0.158	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.9	-176.7	-176.8	-101.8	0	0	0	109.8	P799 V865 C875 F937	P799-F863 VanDerWaalsContact CD-CZ 3.5Å; P799-F863 HydrophobicContact CG-CD1 3.91Å; P799-F863 HydrophobicContact CG-CD2 4.1Å; P799-F863 HydrophobicContact CG-CE1 3.89Å; P799-F863 HydrophobicContact CG-CE2 4.08Å; P799-F863 HydrophobicContact CG-CG 4.03Å; P799-F863 HydrophobicContact CG-CZ 3.99Å; F863-V865 HydrophobicContact CD1-CG2 4.08Å; F863-C875 PolarHBondContact N-O 3.28Å; F863-C875 PolarHBondContact O-N 3.12Å; F863-F937 HydrophobicContact CD1-CD1 4.07Å; F863-F937 HydrophobicContact CE1-CB 4.22Å; F863-F937 AromaticContact CE1-CD1 3.74Å; F863-F937 HydrophobicContact CE1-CD1 3.74Å; F863-F937 HydrophobicContact CE1-CG 4.3Å
864	K	90.4	Very high	84.2	Confident	83 Å²	83	61.3 Å²	61.3	36%	0.361	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123.1	174.8	175.9	-165.9	-171.9	167	0	108.7	D854 Y872	D854-K864 WeakPolarHBondContact OD1-CD 3.34Å; D854-K864 IonicContact OD1-NZ 3.48Å; D854-K864 PolarHBondContact OD1-NZ 3.23Å; D854-K864 IonicContact OD2-NZ 3.6Å; D854-K864 PolarHBondContact OD2-NZ 2.93Å; K864-Y872 HydrophobicContact CD-CE2 3.87Å; K864-Y872 HydrophobicContact CG-CE1 4.47Å; K864-Y872 HydrophobicContact CG-CE2 4.18Å
865	V	88.1	Confident	84.2	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.3	-178.5	-174.9	0	0	0	0	109.5	F863 N867 L873 C875 F937 I939	F863-V865 HydrophobicContact CD1-CG2 4.08Å; V865-N867 PolarHBondContact O-N 3.19Å; V865-L873 HydrophobicContact CB-CD2 4.04Å; V865-L873 HydrophobicContact CB-CG 4.16Å; V865-L873 HydrophobicContact CG1-CD2 4.24Å; V865-L873 PolarHBondContact N-O 3.22Å; V865-C875 HydrophobicContact CG2-CB 3.61Å; V865-F937 WeakPolarHBondContact CG1-O 3.45Å; V865-I939 HydrophobicContact CG1-CB 4.47Å; V865-I939 HydrophobicContact CG1-CD1 4.34Å; V865-I939 HydrophobicContact CG1-CG1 3.96Å; V865-I939 HydrophobicContact CG1-CG2 4.14Å; V865-I939 HydrophobicContact CG2-CD1 4.33Å; V865-I939 HydrophobicContact CG2-CG2 4.36Å
866	E	81.1	Confident	84.3	Confident	99 Å²	99	55.3 Å²	55.3	46%	0.463	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-74.2	124.9	170.7	-67.9	-157.3	173.7	0	0	110.2	R936	E866-R936 WeakPolarHBondContact OE2-CD 3.37Å; E866-R936 VanDerWaalsContact OE2-CG 3.26Å; E866-R936 WeakPolarHBondContact OE2-CG 3.21Å; E866-R936 IonicContact OE2-CZ 3.99Å; E866-R936 IonicContact OE2-NE 2.75Å; E866-R936 PolarHBondContact OE2-NE 2.85Å; E866-R936 IonicContact OE2-NH1 3.97Å; E866-R936 PolarHBondContact OE2-NH1 3.34Å
867	N	67.1	Low	84.1	Confident	44 Å²	44	54.2 Å²	54.2	24%	0.235	29%	0.287	C	S	.	.			trans	-115.9	170.7	177.5	88.6	31.2	0	0	0	111.8	V865 G869 A871 L873	V865-N867 PolarHBondContact O-N 3.19Å; N867-G869 PolarHBondContact O-N 2.94Å; N867-G869 WeakPolarHBondContact OD1-CA 3.37Å; N867-G869 PolarHBondContact OD1-N 2.85Å; N867-G869 PolarHBondContact OD1-O 3.09Å; N867-A871 PolarHBondContact ND2-O 2.8Å; N867-L873 HydrophobicContact CB-CB 4.35Å; N867-L873 HydrophobicContact CB-CD2 3.78Å
868	V	59.5	Low	83.8	Confident	158 Å²	158	54.8 Å²	54.8	96%	0.958	29%	0.29	S	S	*	.	S	Bend	trans	-87.3	94.6	168.9	-176.7	0	0	0	0	108.8
869	G	64.1	Low	83	Confident	52 Å²	52	49.5 Å²	49.5	54%	0.536	27%	0.268	S	S	.	.	S	Bend	trans	145	-177.3	179.1	0	0	0	0	0	113.9	N867	N867-G869 PolarHBondContact O-N 2.94Å; N867-G869 WeakPolarHBondContact OD1-CA 3.37Å; N867-G869 PolarHBondContact OD1-N 2.85Å; N867-G869 PolarHBondContact OD1-O 3.09Å
870	D	69.8	Low	82.1	Confident	126 Å²	126	49.6 Å²	49.6	67%	0.674	27%	0.271	S	S	*	.	S	Bend	trans	-91.4	-1.7	-173.4	-58	-22.2	0	0	0	113.5
871	A	83.2	Confident	81.1	Confident	24 Å²	24	50.8 Å²	50.8	20%	0.198	28%	0.276	C	S	.	.	S	Bend	trans	-85.8	139.2	-175.7	0	0	0	0	0	111.7	V824 D826 N867 L873	V824-A871 HydrophobicContact CG1-CB 3.68Å; D826-A871 HydrophobicContact CB-CB 4.49Å; N867-A871 PolarHBondContact ND2-O 2.8Å; A871-L873 PolarHBondContact O-N 3.1Å
872	Y	91.9	Very high	79.9	Confident	10 Å²	10	48.3 Å²	48.3	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	109.8	178.8	-172.1	-81.6	0	0	0	109.9	V825 Y850 F853 D854 V857 K864 I874	V825-Y872 PolarHBondContact N-O 2.98Å; V825-Y872 PolarHBondContact O-N 3.46Å; Y850-Y872 AromaticContact CD1-CD2 3.41Å; Y850-Y872 HydrophobicContact CD1-CD2 3.41Å; Y850-Y872 VanDerWaalsContact CD1-CD2 3.41Å; Y850-Y872 AromaticContact CD1-CE2 3.89Å; Y850-Y872 HydrophobicContact CD1-CE2 3.89Å; Y850-Y872 HydrophobicContact CD1-CG 4.23Å; Y850-Y872 AromaticContact CE1-CD2 3.64Å; Y850-Y872 HydrophobicContact CE1-CD2 3.64Å; Y850-Y872 HydrophobicContact CE1-CG 4.14Å; Y850-Y872 HydrophobicContact CG-CD2 4.03Å; Y850-Y872 HydrophobicContact CG-CE2 4.24Å; F853-Y872 HydrophobicContact CB-CE1 3.97Å; F853-Y872 HydrophobicContact CB-CE2 4.06Å; F853-Y872 HydrophobicContact CD2-CD1 4.04Å; F853-Y872 HydrophobicContact CD2-CD2 4.16Å; F853-Y872 HydrophobicContact CD2-CE1 4.21Å; F853-Y872 HydrophobicContact CD2-CE2 4.3Å; F853-Y872 HydrophobicContact CD2-CG 4.03Å; D854-Y872 PolarHBondContact N-OH 2.98Å; D854-Y872 WeakPolarHBondContact OD1-CE2 3.33Å; D854-Y872 VanDerWaalsContact OD1-CZ 3.29Å; D854-Y872 PolarHBondContact OD1-OH 3.06Å; V857-Y872 HydrophobicContact CG2-CE1 4.33Å; K864-Y872 HydrophobicContact CD-CE2 3.87Å; K864-Y872 HydrophobicContact CG-CE1 4.47Å; K864-Y872 HydrophobicContact CG-CE2 4.18Å; Y872-I874 HydrophobicContact CD1-CD1 3.87Å; Y872-I874 HydrophobicContact CD1-CG1 3.72Å; Y872-I874 HydrophobicContact CE1-CD1 3.6Å; Y872-I874 HydrophobicContact CE1-CG1 3.39Å
873	L	93.1	Very high	79.3	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.4	-174.1	175.8	65.1	0	0	0	111.3	L822 V824 V865 N867 A871 I939	L822-L873 HydrophobicContact CB-CD1 4.32Å; V824-L873 HydrophobicContact CG2-CD1 3.65Å; V865-L873 HydrophobicContact CB-CD2 4.04Å; V865-L873 HydrophobicContact CB-CG 4.16Å; V865-L873 HydrophobicContact CG1-CD2 4.24Å; V865-L873 PolarHBondContact N-O 3.22Å; N867-L873 HydrophobicContact CB-CB 4.35Å; N867-L873 HydrophobicContact CB-CD2 3.78Å; A871-L873 PolarHBondContact O-N 3.1Å; L873-I939 HydrophobicContact CD2-CD1 3.97Å; L873-I939 HydrophobicContact CD2-CG1 4.2Å
874	I	93.9	Very high	79.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.3	177.2	-55.3	155.8	0	0	0	108.1	L822 L823 V825 V857 A862 Y872 I890 I893 L897	L822-I874 WeakPolarHBondContact CA-O 3.18Å; L823-I874 HydrophobicContact CB-CB 4.3Å; L823-I874 HydrophobicContact CD2-CD1 3.7Å; L823-I874 HydrophobicContact CG-CD1 4.18Å; L823-I874 PolarHBondContact N-O 3.15Å; L823-I874 PolarHBondContact O-N 3.43Å; V825-I874 HydrophobicContact CG2-CD1 4.36Å; V857-I874 HydrophobicContact CG1-CG2 4.19Å; V857-I874 HydrophobicContact CG2-CD1 3.69Å; V857-I874 HydrophobicContact CG2-CG1 3.86Å; V857-I874 HydrophobicContact CG2-CG2 4.14Å; A862-I874 HydrophobicContact CB-CG2 3.74Å; Y872-I874 HydrophobicContact CD1-CD1 3.87Å; Y872-I874 HydrophobicContact CD1-CG1 3.72Å; Y872-I874 HydrophobicContact CE1-CD1 3.6Å; Y872-I874 HydrophobicContact CE1-CG1 3.39Å; I874-I890 HydrophobicContact CB-CD1 4.31Å; I874-I890 HydrophobicContact CG2-CD1 3.72Å; I874-I893 HydrophobicContact CD1-CG2 3.96Å; I874-I893 HydrophobicContact CG2-CD1 4.43Å; I874-L897 HydrophobicContact CD1-CD1 4.02Å
875	C	92.5	Very high	78.9	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.02	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.3	175.7	-178.5	0	0	0	0	110.1	L822 A862 F863 V865 I878 I939	L822-C875 HydrophobicContact CD2-CB 3.69Å; L822-C875 WeakPolarHBondContact CD2-SG 3.49Å; A862-C875 WeakPolarHBondContact CA-O 3.48Å; F863-C875 PolarHBondContact N-O 3.28Å; F863-C875 PolarHBondContact O-N 3.12Å; V865-C875 HydrophobicContact CG2-CB 3.61Å; C875-I878 WeakPolarHBondContact SG-CD1 3.4Å; C875-I939 HydrophobicContact CB-CD1 4.28Å
876	S	92.2	Very high	79.1	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.9	167	-169.7	0	0	0	0	108.6	T821 K861 M881 H886	T821-S876 PolarHBondContact N-O 3.49Å; T821-S876 PolarHBondContact O-N 3.37Å; K861-S876 PolarHBondContact O-OG 3.43Å; S876-M881 WeakPolarHBondContact OG-CE 3.02Å; S876-H886 VanDerWaalsContact C-CB 3.43Å; S876-H886 WeakPolarHBondContact O-CB 3.39Å; S876-H886 WeakPolarHBondContact OG-CA 3.45Å
877	G	88.7	Confident	79.7	Confident	5 Å²	5	49.9 Å²	49.9	5%	0.052	29%	0.29	C	S	.	.	S	Bend	trans	114.4	-5.8	-176.6	0	0	0	0	0	113.9
878	I	84.9	Confident	80.9	Confident	18 Å²	18	52.1 Å²	52.1	9%	0.092	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	139.6	-176.2	-50.2	178	0	0	0	109	H817 V820 C875 V925 A927 F937 I939	H817-I878 HydrophobicContact CB-CG1 4.45Å; V820-I878 HydrophobicContact CB-CD1 4.42Å; V820-I878 HydrophobicContact CB-CG1 4.27Å; V820-I878 HydrophobicContact CG1-CD1 3.78Å; V820-I878 HydrophobicContact CG1-CG1 3.43Å; V820-I878 VanDerWaalsContact CG1-CG1 3.43Å; C875-I878 WeakPolarHBondContact SG-CD1 3.4Å; I878-V925 HydrophobicContact CD1-CG2 3.57Å; I878-A927 HydrophobicContact CD1-CB 3.96Å; I878-A927 HydrophobicContact CG2-CB 4Å; I878-F937 HydrophobicContact CG2-CE1 4.01Å; I878-F937 HydrophobicContact CG2-CZ 3.61Å; I878-I939 HydrophobicContact CD1-CG2 3.89Å
879	P	70.5	Confident	82.4	Confident	36 Å²	36	46 Å²	46	23%	0.234	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	cis	-78.4	-23.1	-10.7	26.3	-26.7	0	0	0	112.4	P799 S801	P799-P879 HydrophobicContact CB-CG 4.12Å; S801-P879 WeakPolarHBondContact OG-CG 2.84Å
880	E	65.3	Low	83.9	Confident	154 Å²	154	43.6 Å²	43.6	72%	0.72	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	97.4	-170.7	-67.1	179	-169.7	0	0	112
881	M	62.8	Low	85.2	Confident	45 Å²	45	37.6 Å²	37.6	22%	0.222	20%	0.199	C	C	.	.			trans	-155	123.8	157.7	-116.6	-177.4	-61.5	0	0	113.3	K861 S876 R885 H886	K861-M881 HydrophobicContact CB-CE 4.09Å; K861-M881 HydrophobicContact CB-SD 4.42Å; K861-M881 VanDerWaalsContact O-CE 3.31Å; K861-M881 WeakPolarHBondContact O-CE 3.25Å; S876-M881 WeakPolarHBondContact OG-CE 3.02Å; M881-R885 HydrophobicContact SD-CB 4.15Å; M881-H886 HydrophobicContact CE-CB 4.46Å
882	S	59.5	Low	85.7	Confident	93 Å²	93	38.8 Å²	38.8	65%	0.65	20%	0.2	S	C	*	.			trans	-85.3	132.3	173.8	-18.3	0	0	0	0	111.1	R885	S882-R885 PolarHBondContact O-NE 3.06Å
883	G	78.4	Confident	85.9	Confident	52 Å²	52	38.3 Å²	38.3	54%	0.536	20%	0.198	S	C	.	.	S	Bend	trans	75.4	-170.7	173.5	0	0	0	0	0	114.6	R885 H886	G883-R885 PolarHBondContact O-N 3.17Å; G883-H886 PolarHBondContact O-CD2 3.31Å; G883-H886 PolarHBondContact O-NE2 3.26Å
884	F	83.5	Confident	86	Confident	90 Å²	90	38.2 Å²	38.2	40%	0.395	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	13.3	-172.1	-56.4	-79.6	0	0	0	115.5	H886 L887 T968 K972 F973	F884-H886 VanDerWaalsContact C-N 3.28Å; F884-H886 PolarHBondContact O-N 2.84Å; F884-L887 WeakPolarHBondContact O-CB 3.27Å; F884-L887 PolarHBondContact O-N 3.16Å; F884-T968 HydrophobicContact CD1-CG2 3.54Å; F884-T968 HydrophobicContact CE1-CG2 3.82Å; F884-T968 HydrophobicContact CG-CG2 4.31Å; F884-K972 HydrophobicContact CB-CG 4.33Å; F884-K972 HydrophobicContact CD2-CD 4.15Å; F884-K972 HydrophobicContact CD2-CG 3.93Å; F884-K972 HydrophobicContact CE2-CD 4.38Å; F884-K972 HydrophobicContact CE2-CG 4.44Å; F884-K972 HydrophobicContact CG-CG 4.04Å; F884-F973 HydrophobicContact CB-CE2 3.96Å; F884-F973 HydrophobicContact CB-CZ 4.29Å; F884-F973 WeakPolarHBondContact O-CE2 3.08Å; F884-F973 WeakPolarHBondContact O-CZ 3.48Å
885	R	87.7	Confident	86.1	Confident	128 Å²	128	39.6 Å²	39.6	48%	0.483	21%	0.205	S	C	.	.	H	α-helix	trans	-65.6	-30.3	-175.4	-72.7	-171.4	-70.6	-178.3	-2.3	113.2	M881 S882 G883 L887 R888 E889	M881-R885 HydrophobicContact SD-CB 4.15Å; S882-R885 PolarHBondContact O-NE 3.06Å; G883-R885 PolarHBondContact O-N 3.17Å; R885-L887 PolarHBondContact O-N 3.18Å; R885-R888 PolarHBondContact O-N 3.16Å; R885-E889 PolarHBondContact O-N 3.42Å; R885-E889 VanDerWaalsContact O-N 3.12Å
886	H	91.8	Very high	86.2	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.023	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-38.4	176.7	51.8	79.9	0	0	0	112.5	T821 S876 M881 G883 F884 E889 I890	T821-H886 PolarHBondContact N-ND1 2.98Å; T821-H886 PolarHBondContact OG1-CE1 2.03Å; T821-H886 PolarHBondContact OG1-ND1 3.3Å; S876-H886 VanDerWaalsContact C-CB 3.43Å; S876-H886 WeakPolarHBondContact O-CB 3.39Å; S876-H886 WeakPolarHBondContact OG-CA 3.45Å; M881-H886 HydrophobicContact CE-CB 4.46Å; G883-H886 PolarHBondContact O-CD2 3.31Å; G883-H886 PolarHBondContact O-NE2 3.26Å; F884-H886 VanDerWaalsContact C-N 3.28Å; F884-H886 PolarHBondContact O-N 2.84Å; H886-E889 PolarHBondContact O-N 3.41Å; H886-I890 WeakPolarHBondContact O-CG1 3.46Å; H886-I890 PolarHBondContact O-N 3.03Å; H886-I890 VanDerWaalsContact O-N 3.09Å
887	L	93	Very high	86.3	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-46.9	178.5	176.2	54.9	0	0	0	111.4	T821 F884 R885 E889 I890 C891 T965 T968 L969	T821-L887 HydrophobicContact CG2-CD1 3.93Å; T821-L887 VanDerWaalsContact OG1-CA 3.28Å; T821-L887 WeakPolarHBondContact OG1-CA 3.07Å; T821-L887 PolarHBondContact OG1-N 3.23Å; F884-L887 WeakPolarHBondContact O-CB 3.27Å; F884-L887 PolarHBondContact O-N 3.16Å; R885-L887 PolarHBondContact O-N 3.18Å; L887-E889 PolarHBondContact O-N 2.94Å; L887-I890 PolarHBondContact O-N 3.42Å; L887-C891 PolarHBondContact O-N 3.42Å; L887-C891 PolarHBondContact O-SG 3.19Å; L887-T965 HydrophobicContact CD1-CG2 3.45Å; L887-T965 VanDerWaalsContact CD1-CG2 3.45Å; L887-T965 HydrophobicContact CD2-CG2 4.49Å; L887-T968 HydrophobicContact CD2-CG2 3.89Å; L887-L969 HydrophobicContact CD1-CD1 4.34Å; L887-L969 HydrophobicContact CD2-CB 3.99Å; L887-L969 HydrophobicContact CD2-CD1 4.07Å; L887-L969 HydrophobicContact CG-CD1 3.85Å
888	R	92.1	Very high	86.6	Confident	92 Å²	92	45.6 Å²	45.6	35%	0.347	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-44.5	176.5	178.1	-177.4	-178.1	-139.2	8.5	112.2	R885 C891 K892 F973 F976	R885-R888 PolarHBondContact O-N 3.16Å; R888-C891 PolarHBondContact O-N 3.49Å; R888-K892 HydrophobicContact CG-CD 4.46Å; R888-K892 WeakPolarHBondContact O-CG 3.23Å; R888-K892 PolarHBondContact O-N 2.88Å; R888-F973 HydrophobicContact CB-CD1 4.17Å; R888-F973 HydrophobicContact CB-CD2 4.31Å; R888-F973 HydrophobicContact CB-CE1 3.93Å; R888-F973 HydrophobicContact CB-CE2 4.07Å; R888-F973 HydrophobicContact CB-CG 4.35Å; R888-F973 HydrophobicContact CB-CZ 3.87Å; R888-F973 HydrophobicContact CG-CD1 4.37Å; R888-F973 HydrophobicContact CG-CE1 4.37Å; R888-F976 HydrophobicContact CB-CE2 4.48Å; R888-F976 HydrophobicContact CG-CE2 4.04Å; R888-F976 HydrophobicContact CG-CZ 4.16Å
889	E	92.3	Very high	86.9	Confident	30 Å²	30	47.2 Å²	47.2	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-45.1	-179.6	-68.5	-58.7	135.5	0	0	111.4	N860 K861 R885 H886 L887 K892 I893	N860-E889 PolarHBondContact ND2-OE2 3.29Å; K861-E889 HydrophobicContact CB-CG 4.31Å; R885-E889 PolarHBondContact O-N 3.42Å; R885-E889 VanDerWaalsContact O-N 3.12Å; H886-E889 PolarHBondContact O-N 3.41Å; L887-E889 PolarHBondContact O-N 2.94Å; E889-K892 PolarHBondContact O-N 3.21Å; E889-I893 VanDerWaalsContact O-CG1 3.27Å; E889-I893 WeakPolarHBondContact O-CG1 3.49Å; E889-I893 PolarHBondContact O-N 2.98Å
890	I	95.5	Very high	88	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-44	177.3	-69.7	-67	0	0	0	111.9	T821 L823 A862 I874 H886 L887 K892 I893 S894 I920	T821-I890 HydrophobicContact CG2-CB 3.71Å; T821-I890 HydrophobicContact CG2-CG1 3.84Å; T821-I890 HydrophobicContact CG2-CG2 3.71Å; L823-I890 HydrophobicContact CB-CD1 4.16Å; L823-I890 HydrophobicContact CB-CG2 3.56Å; L823-I890 HydrophobicContact CD2-CG2 4.32Å; L823-I890 HydrophobicContact CG-CG2 4.48Å; A862-I890 HydrophobicContact CB-CD1 4.43Å; I874-I890 HydrophobicContact CB-CD1 4.31Å; I874-I890 HydrophobicContact CG2-CD1 3.72Å; H886-I890 WeakPolarHBondContact O-CG1 3.46Å; H886-I890 PolarHBondContact O-N 3.03Å; H886-I890 VanDerWaalsContact O-N 3.09Å; L887-I890 PolarHBondContact O-N 3.42Å; I890-K892 VanDerWaalsContact C-N 3.31Å; I890-K892 PolarHBondContact O-N 3.12Å; I890-I893 HydrophobicContact CD1-CD1 4.5Å; I890-I893 PolarHBondContact O-N 3.4Å; I890-S894 WeakPolarHBondContact O-CB 3.25Å; I890-S894 PolarHBondContact O-N 3.5Å; I890-S894 PolarHBondContact O-OG 3.13Å; I890-I920 HydrophobicContact CG2-CD1 4.04Å; I890-I920 HydrophobicContact CG2-CG1 4.08Å; I890-I920 HydrophobicContact CG2-CG2 3.86Å
891	C	95.5	Very high	89.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-42.3	176.1	-69.3	0	0	0	0	111.4	L887 R888 S894 L895 F976 L997	L887-C891 PolarHBondContact O-N 3.42Å; L887-C891 PolarHBondContact O-SG 3.19Å; R888-C891 PolarHBondContact O-N 3.49Å; C891-S894 WeakPolarHBondContact CA-OG 3.46Å; C891-S894 PolarHBondContact O-N 3.19Å; C891-S894 PolarHBondContact O-OG 3.41Å; C891-L895 WeakPolarHBondContact O-CG 3.26Å; C891-L895 PolarHBondContact O-N 3.12Å; C891-F976 HydrophobicContact CB-CD1 4.06Å; C891-F976 HydrophobicContact CB-CE1 3.6Å; C891-F976 HydrophobicContact CB-CE2 4.34Å; C891-F976 HydrophobicContact CB-CZ 3.75Å; C891-L997 HydrophobicContact CB-CD2 3.86Å
892	K	94.2	Very high	90.7	Very high	50 Å²	50	47.1 Å²	47.1	22%	0.217	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-44	174.4	-75.6	-174.3	171.4	-164.2	0	113	R888 E889 I890 S894 L895 K896 F976 E1000	R888-K892 HydrophobicContact CG-CD 4.46Å; R888-K892 WeakPolarHBondContact O-CG 3.23Å; R888-K892 PolarHBondContact O-N 2.88Å; E889-K892 PolarHBondContact O-N 3.21Å; I890-K892 VanDerWaalsContact C-N 3.31Å; I890-K892 PolarHBondContact O-N 3.12Å; K892-S894 VanDerWaalsContact C-N 3.34Å; K892-L895 PolarHBondContact O-N 3.33Å; K892-K896 WeakPolarHBondContact O-CG 3.44Å; K892-K896 PolarHBondContact O-N 3.33Å; K892-F976 HydrophobicContact CG-CE1 4.4Å; K892-F976 HydrophobicContact CG-CZ 4.04Å; K892-E1000 WeakPolarHBondContact CE-OE1 3.39Å; K892-E1000 WeakPolarHBondContact CE-OE2 3.2Å
893	I	95.6	Very high	92.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-47.1	176.1	-69.3	163.9	0	0	0	109.7	L823 I856 V857 N860 A862 I874 E889 I890 L895 K896 L897	L823-I893 HydrophobicContact CD2-CG2 4.04Å; I856-I893 HydrophobicContact CG2-CG2 4.2Å; V857-I893 HydrophobicContact CG2-CG2 4.35Å; N860-I893 HydrophobicContact CB-CD1 3.71Å; N860-I893 HydrophobicContact CB-CG1 3.74Å; A862-I893 HydrophobicContact CB-CD1 3.34Å; I874-I893 HydrophobicContact CD1-CG2 3.96Å; I874-I893 HydrophobicContact CG2-CD1 4.43Å; E889-I893 VanDerWaalsContact O-CG1 3.27Å; E889-I893 WeakPolarHBondContact O-CG1 3.49Å; E889-I893 PolarHBondContact O-N 2.98Å; I890-I893 HydrophobicContact CD1-CD1 4.5Å; I890-I893 PolarHBondContact O-N 3.4Å; I893-L895 VanDerWaalsContact C-N 3.35Å; I893-L895 PolarHBondContact O-N 3.12Å; I893-K896 WeakPolarHBondContact O-CB 2.83Å; I893-K896 PolarHBondContact O-N 3.48Å; I893-K896 VanDerWaalsContact O-N 3.14Å; I893-L897 HydrophobicContact CG2-CD1 3.77Å; I893-L897 HydrophobicContact CG2-CG 4.1Å; I893-L897 VanDerWaalsContact O-CG 3.3Å; I893-L897 WeakPolarHBondContact O-CG 3.37Å; I893-L897 PolarHBondContact O-N 3.33Å
894	S	96.1	Very high	92.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.3	70.7	0	0	0	0	113	I890 C891 K892 L897 Q898	I890-S894 WeakPolarHBondContact O-CB 3.25Å; I890-S894 PolarHBondContact O-N 3.5Å; I890-S894 PolarHBondContact O-OG 3.13Å; C891-S894 WeakPolarHBondContact CA-OG 3.46Å; C891-S894 PolarHBondContact O-N 3.19Å; C891-S894 PolarHBondContact O-OG 3.41Å; K892-S894 VanDerWaalsContact C-N 3.34Å; S894-L897 PolarHBondContact O-N 2.97Å; S894-Q898 WeakPolarHBondContact O-CB 3.35Å; S894-Q898 PolarHBondContact O-N 2.8Å
895	L	95.3	Very high	92.9	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.152	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-40	175.5	-69.5	173.3	0	0	0	112	C891 K892 I893 Q898 A899 I959 F976 L997 E1000	C891-L895 WeakPolarHBondContact O-CG 3.26Å; C891-L895 PolarHBondContact O-N 3.12Å; K892-L895 PolarHBondContact O-N 3.33Å; I893-L895 VanDerWaalsContact C-N 3.35Å; I893-L895 PolarHBondContact O-N 3.12Å; L895-Q898 PolarHBondContact O-N 2.63Å; L895-A899 WeakPolarHBondContact O-CB 3.33Å; L895-A899 PolarHBondContact O-N 3.41Å; L895-I959 HydrophobicContact CD2-CD1 3.87Å; L895-I959 HydrophobicContact CG-CD1 4.43Å; L895-F976 HydrophobicContact CD1-CD1 4.15Å; L895-F976 HydrophobicContact CD1-CE1 3.99Å; L895-L997 HydrophobicContact CD1-CD2 4.49Å; L895-L997 HydrophobicContact CD2-CD2 4.32Å; L895-L997 HydrophobicContact CD2-CG 4.19Å; L895-L997 HydrophobicContact CG-CD2 4.14Å; L895-L997 HydrophobicContact CG-CG 4.49Å; L895-E1000 HydrophobicContact CD1-CB 3.95Å
896	K	95.1	Very high	92.9	Very high	93 Å²	93	42.4 Å²	42.4	40%	0.404	20%	0.204	S	C	.	.	H	α-helix	trans	-64.2	-42.4	174.8	-73.3	177	-178	-177.5	0	112	I856 N860 K892 I893 A899 F900	I856-K896 HydrophobicContact CG2-CB 3.91Å; I856-K896 HydrophobicContact CG2-CD 3.97Å; N860-K896 PolarHBondContact OD1-NZ 3.28Å; K892-K896 WeakPolarHBondContact O-CG 3.44Å; K892-K896 PolarHBondContact O-N 3.33Å; I893-K896 WeakPolarHBondContact O-CB 2.83Å; I893-K896 PolarHBondContact O-N 3.48Å; I893-K896 VanDerWaalsContact O-N 3.14Å; K896-A899 PolarHBondContact O-N 3.29Å; K896-F900 WeakPolarHBondContact O-CB 3.43Å; K896-F900 PolarHBondContact O-N 3.11Å
897	L	95.5	Very high	92.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-44.9	175.5	-69.3	174.7	0	0	0	110.9	L823 V825 F853 I856 I874 I893 S894 A899 F900 M901 I916 M918	L823-L897 HydrophobicContact CD2-CD1 4.07Å; V825-L897 HydrophobicContact CG2-CD1 3.95Å; F853-L897 HydrophobicContact CB-CD2 4.1Å; F853-L897 HydrophobicContact CD1-CD2 3.3Å; F853-L897 HydrophobicContact CD2-CD2 4.33Å; F853-L897 HydrophobicContact CE1-CD2 3.69Å; F853-L897 HydrophobicContact CG-CD2 3.66Å; F853-L897 HydrophobicContact CZ-CD2 4.36Å; I856-L897 HydrophobicContact CD1-CD2 3.81Å; I856-L897 HydrophobicContact CG2-CD2 4.49Å; I874-L897 HydrophobicContact CD1-CD1 4.02Å; I893-L897 HydrophobicContact CG2-CD1 3.77Å; I893-L897 HydrophobicContact CG2-CG 4.1Å; I893-L897 VanDerWaalsContact O-CG 3.3Å; I893-L897 WeakPolarHBondContact O-CG 3.37Å; I893-L897 PolarHBondContact O-N 3.33Å; S894-L897 PolarHBondContact O-N 2.97Å; L897-A899 VanDerWaalsContact C-N 3.31Å; L897-A899 PolarHBondContact O-N 3.45Å; L897-F900 PolarHBondContact O-N 3.02Å; L897-M901 WeakPolarHBondContact O-CG 3.45Å; L897-M901 PolarHBondContact O-N 3.06Å; L897-I916 HydrophobicContact CB-CD1 4.35Å; L897-M918 HydrophobicContact CB-SD 4.12Å; L897-M918 HydrophobicContact CD1-SD 4.44Å
898	Q	93.5	Very high	92.2	Very high	41 Å²	41	54.6 Å²	54.6	19%	0.192	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-43.4	175	-160.3	-171.8	47.9	0	0	111.9	S894 L895 K902 M918 G957 I959	S894-Q898 WeakPolarHBondContact O-CB 3.35Å; S894-Q898 PolarHBondContact O-N 2.8Å; L895-Q898 PolarHBondContact O-N 2.63Å; Q898-K902 PolarHBondContact O-N 3.18Å; Q898-M918 HydrophobicContact CB-CE 3.85Å; Q898-M918 HydrophobicContact CG-CE 4.22Å; Q898-G957 PolarHBondContact NE2-O 3.38Å; Q898-I959 HydrophobicContact CB-CD1 4.33Å
899	A	92.4	Very high	91.8	Very high	53 Å²	53	55.9 Å²	55.9	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-66.2	-43.1	177.4	0	0	0	0	0	112	L895 K896 L897 M901 K902	L895-A899 WeakPolarHBondContact O-CB 3.33Å; L895-A899 PolarHBondContact O-N 3.41Å; K896-A899 PolarHBondContact O-N 3.29Å; L897-A899 VanDerWaalsContact C-N 3.31Å; L897-A899 PolarHBondContact O-N 3.45Å; A899-M901 PolarHBondContact O-N 3.17Å; A899-K902 WeakPolarHBondContact O-CB 3.36Å; A899-K902 PolarHBondContact O-N 3.25Å
900	F	93.8	Very high	91.2	Very high	41 Å²	41	58.4 Å²	58.4	18%	0.18	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-43	176.3	168	-102.8	0	0	0	112	L849 S852 F853 I856 K896 L897 K902 T903 F904	L849-F900 HydrophobicContact CD1-CE1 4.1Å; S852-F900 WeakPolarHBondContact OG-CZ 3.18Å; F853-F900 HydrophobicContact CD1-CD1 4.22Å; F853-F900 HydrophobicContact CD1-CE1 4.14Å; F853-F900 AromaticContact CE1-CD1 3.78Å; F853-F900 HydrophobicContact CE1-CD1 3.78Å; F853-F900 AromaticContact CE1-CE1 3.78Å; F853-F900 HydrophobicContact CE1-CE1 3.78Å; I856-F900 HydrophobicContact CD1-CB 4.22Å; I856-F900 HydrophobicContact CD1-CG 4.48Å; K896-F900 WeakPolarHBondContact O-CB 3.43Å; K896-F900 PolarHBondContact O-N 3.11Å; L897-F900 PolarHBondContact O-N 3.02Å; F900-K902 PolarHBondContact O-N 3.48Å; F900-K902 VanDerWaalsContact O-N 3.15Å; F900-T903 CarbonylContact O-C 3.56Å; F900-T903 WeakPolarHBondContact O-CA 3.45Å; F900-T903 PolarHBondContact O-N 3.4Å; F900-T903 PolarHBondContact O-OG1 3.48Å; F900-F904 HydrophobicContact CE1-CB 4.13Å; F900-F904 AromaticContact CE1-CD2 3.91Å; F900-F904 HydrophobicContact CE1-CD2 3.91Å; F900-F904 HydrophobicContact CE1-CG 4.16Å; F900-F904 HydrophobicContact CE2-CD2 4.22Å; F900-F904 HydrophobicContact CZ-CB 4.14Å; F900-F904 AromaticContact CZ-CD2 3.42Å; F900-F904 HydrophobicContact CZ-CD2 3.42Å; F900-F904 VanDerWaalsContact CZ-CD2 3.42Å; F900-F904 HydrophobicContact CZ-CE2 4.14Å; F900-F904 HydrophobicContact CZ-CG 4.07Å; F900-F904 PolarHBondContact O-N 3.26Å
901	M	93.7	Very high	90.5	Very high	22 Å²	22	63.2 Å²	63.2	11%	0.108	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-23.6	178.2	-71.1	-51.5	-56.7	0	0	113.8	L849 F853 L897 A899 T903 F904 L914 I916	L849-M901 HydrophobicContact CD1-CE 4.12Å; L849-M901 HydrophobicContact CD1-SD 3.57Å; L849-M901 VanDerWaalsContact CD1-SD 3.57Å; F853-M901 HydrophobicContact CE1-SD 4.03Å; F853-M901 HydrophobicContact CZ-SD 4.01Å; L897-M901 WeakPolarHBondContact O-CG 3.45Å; L897-M901 PolarHBondContact O-N 3.06Å; A899-M901 PolarHBondContact O-N 3.17Å; M901-T903 VanDerWaalsContact C-N 3.27Å; M901-T903 PolarHBondContact O-N 3.48Å; M901-F904 HydrophobicContact CE-CB 4.47Å; M901-F904 HydrophobicContact CE-CD1 4.18Å; M901-F904 HydrophobicContact SD-CB 4.45Å; M901-L914 HydrophobicContact CE-CB 3.86Å; M901-L914 WeakPolarHBondContact CE-O 3.29Å; M901-I916 HydrophobicContact CE-CG2 4.04Å; M901-I916 HydrophobicContact CG-CD1 3.4Å; M901-I916 HydrophobicContact CG-CG1 3.76Å; M901-I916 HydrophobicContact CG-CG2 4.14Å; M901-I916 HydrophobicContact SD-CD1 4.39Å; M901-I916 HydrophobicContact SD-CG2 4.06Å
902	K	89.3	Confident	89.9	Confident	169 Å²	169	66.5 Å²	66.5	74%	0.735	33%	0.325	S	S	*	.	H	α-helix	trans	-70.3	-25.9	172.1	-63.8	174.9	-177.5	178	0	112.5	Q898 A899 F900	Q898-K902 PolarHBondContact O-N 3.18Å; A899-K902 WeakPolarHBondContact O-CB 3.36Å; A899-K902 PolarHBondContact O-N 3.25Å; F900-K902 PolarHBondContact O-N 3.48Å; F900-K902 VanDerWaalsContact O-N 3.15Å
903	T	89.2	Confident	89.4	Confident	102 Å²	102	69.1 Å²	69.1	63%	0.626	35%	0.345	S	S	*	.	H	α-helix	trans	-98.1	-21.9	-179.4	59.7	0	0	0	0	113.5	F900 M901	F900-T903 CarbonylContact O-C 3.56Å; F900-T903 WeakPolarHBondContact O-CA 3.45Å; F900-T903 PolarHBondContact O-N 3.4Å; F900-T903 PolarHBondContact O-OG1 3.48Å; M901-T903 VanDerWaalsContact C-N 3.27Å; M901-T903 PolarHBondContact O-N 3.48Å
904	F	92.2	Very high	89	Confident	16 Å²	16	69.8 Å²	69.8	7%	0.07	35%	0.349	C	S	.	.			trans	-67.5	130.7	-177.4	-172.3	-106.7	0	0	0	111.6	T845 E848 L849 F900 M901 V906 L914	T845-F904 HydrophobicContact CG2-CE1 4.11Å; T845-F904 HydrophobicContact CG2-CZ 4.07Å; E848-F904 HydrophobicContact CB-CE2 4.3Å; E848-F904 HydrophobicContact CG-CE2 3.95Å; L849-F904 HydrophobicContact CB-CE1 4.49Å; L849-F904 HydrophobicContact CB-CE2 4.5Å; L849-F904 HydrophobicContact CB-CZ 4.04Å; L849-F904 HydrophobicContact CD1-CD1 4.07Å; L849-F904 HydrophobicContact CD1-CE1 3.94Å; L849-F904 HydrophobicContact CD1-CE2 4.46Å; L849-F904 HydrophobicContact CD1-CG 4.38Å; L849-F904 HydrophobicContact CD1-CZ 4.14Å; F900-F904 HydrophobicContact CE1-CB 4.13Å; F900-F904 AromaticContact CE1-CD2 3.91Å; F900-F904 HydrophobicContact CE1-CD2 3.91Å; F900-F904 HydrophobicContact CE1-CG 4.16Å; F900-F904 HydrophobicContact CE2-CD2 4.22Å; F900-F904 HydrophobicContact CZ-CB 4.14Å; F900-F904 AromaticContact CZ-CD2 3.42Å; F900-F904 HydrophobicContact CZ-CD2 3.42Å; F900-F904 VanDerWaalsContact CZ-CD2 3.42Å; F900-F904 HydrophobicContact CZ-CE2 4.14Å; F900-F904 HydrophobicContact CZ-CG 4.07Å; F900-F904 PolarHBondContact O-N 3.26Å; M901-F904 HydrophobicContact CE-CB 4.47Å; M901-F904 HydrophobicContact CE-CD1 4.18Å; M901-F904 HydrophobicContact SD-CB 4.45Å; F904-V906 HydrophobicContact CE1-CG2 4.44Å; F904-L914 HydrophobicContact CD1-CD1 4.5Å; F904-L914 HydrophobicContact CE1-CD1 3.95Å
905	K	88	Confident	88.8	Confident	146 Å²	146	74 Å²	74	64%	0.635	37%	0.369	S	S	*	.			trans	-129.1	132.1	177.1	-67.5	-175.6	-179.7	-179.7	0	109.4	R907	K905-R907 PolarHBondContact O-N 2.84Å
906	V	87.6	Confident	88.7	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	36%	0.362	C	S	.	.			trans	-68.9	114.9	176	-178.6	0	0	0	0	109.1	F833 F837 T845 F904 H908 R909 P910 L914	F833-V906 HydrophobicContact CE2-CG1 4.34Å; F833-V906 HydrophobicContact CE2-CG2 4.24Å; F833-V906 HydrophobicContact CZ-CG1 4.48Å; F837-V906 HydrophobicContact CE1-CG1 4.27Å; F837-V906 HydrophobicContact CZ-CG1 4.19Å; T845-V906 HydrophobicContact CG2-CG1 4.06Å; T845-V906 HydrophobicContact CG2-CG2 4.07Å; F904-V906 HydrophobicContact CE1-CG2 4.44Å; V906-H908 VanDerWaalsContact C-N 3.25Å; V906-H908 PolarHBondContact O-N 2.9Å; V906-R909 CarbonylContact O-C 3.56Å; V906-R909 PolarHBondContact O-N 3.33Å; V906-P910 WeakPolarHBondContact O-CA 3.49Å; V906-P910 VanDerWaalsContact O-N 3.1Å; V906-L914 HydrophobicContact CG2-CD1 3.66Å; V906-L914 HydrophobicContact CG2-CG 3.89Å
907	R	85.4	Confident	88.6	Confident	192 Å²	192	70.5 Å²	70.5	73%	0.725	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-43.6	-175.6	-174.3	178	-179.2	-175.3	-0.2	113.3	K905 R909	K905-R907 PolarHBondContact O-N 2.84Å; R907-R909 VanDerWaalsContact C-N 3.33Å
908	H	84.2	Confident	88.7	Confident	70 Å²	70	70.5 Å²	70.5	32%	0.324	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.1	-176.8	-59.8	-61.3	0	0	0	113.9	F837 H841 E844 V906	F837-H908 HydrophobicContact CD1-CB 4.5Å; F837-H908 HydrophobicContact CE1-CB 4.25Å; H841-H908 AromaticContact CD2-CD2 3.65Å; H841-H908 AromaticContact CD2-CE1 3.44Å; H841-H908 PolarHBondContact CD2-CE1 2.56Å; H841-H908 VanDerWaalsContact CD2-CE1 3.44Å; H841-H908 AromaticContact CD2-CG 3.9Å; H841-H908 AromaticContact CD2-ND1 3.84Å; H841-H908 AromaticContact CD2-NE2 3.33Å; H841-H908 PolarHBondContact CD2-NE2 3.09Å; H841-H908 VanDerWaalsContact CD2-NE2 3.33Å; H841-H908 AromaticContact CE1-ND1 3.96Å; H841-H908 AromaticContact CG-CD2 3.49Å; H841-H908 VanDerWaalsContact CG-CD2 3.49Å; H841-H908 AromaticContact CG-CG 3.69Å; H841-H908 AromaticContact CG-NE2 3.7Å; H841-H908 AromaticContact ND1-CG 3.85Å; H841-H908 AromaticContact NE2-CE1 3.64Å; H841-H908 AromaticContact NE2-ND1 3.81Å; E844-H908 IonicContact OE2-CD2 3.62Å; E844-H908 IonicContact OE2-CE1 3.12Å; E844-H908 PolarHBondContact OE2-CE1 2.92Å; E844-H908 IonicContact OE2-NE2 3.97Å; E844-H908 PolarHBondContact OE2-NE2 3.15Å; V906-H908 VanDerWaalsContact C-N 3.25Å; V906-H908 PolarHBondContact O-N 2.9Å
909	R	83.5	Confident	88.8	Confident	118 Å²	118	68.6 Å²	68.6	45%	0.445	34%	0.343	S	S	.	.			trans	-157.1	78.9	176.1	-165.5	174.3	-174.5	151.3	2.1	111.1	F837 V906 R907 S911 H912	F837-R909 HydrophobicContact CE1-CB 3.62Å; F837-R909 HydrophobicContact CZ-CB 3.55Å; F837-R909 HydrophobicContact CZ-CG 4.24Å; V906-R909 CarbonylContact O-C 3.56Å; V906-R909 PolarHBondContact O-N 3.33Å; R907-R909 VanDerWaalsContact C-N 3.33Å; R909-S911 PolarHBondContact O-N 2.83Å; R909-H912 HydrophobicContact CB-CB 4.36Å; R909-H912 HydrophobicContact CG-CB 4.07Å; R909-H912 PolarHBondContact O-N 3.28Å
910	P	78.9	Confident	89	Confident	84 Å²	84	66 Å²	66	55%	0.545	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.4	-174.9	-25.2	34.8	0	0	0	115.1	V906 H912	V906-P910 WeakPolarHBondContact O-CA 3.49Å; V906-P910 VanDerWaalsContact O-N 3.1Å; P910-H912 VanDerWaalsContact C-N 3.35Å
911	S	81.2	Confident	89.1	Confident	101 Å²	101	64.4 Å²	64.4	71%	0.706	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.9	174.9	56.8	0	0	0	0	113.8	R909	R909-S911 PolarHBondContact O-N 2.83Å
912	H	82.8	Confident	89.2	Confident	69 Å²	69	64.2 Å²	64.2	32%	0.319	32%	0.317	S	S	.	.			trans	-88	119.4	177.6	-166.6	79	0	0	0	109.8	F833 R909 P910	F833-H912 AromaticContact CD2-CD2 3.89Å; F833-H912 AromaticContact CD2-NE2 3.79Å; R909-H912 HydrophobicContact CB-CB 4.36Å; R909-H912 HydrophobicContact CG-CB 4.07Å; R909-H912 PolarHBondContact O-N 3.28Å; P910-H912 VanDerWaalsContact C-N 3.35Å
913	T	83.5	Confident	89.3	Confident	105 Å²	105	57 Å²	57	64%	0.644	29%	0.29	S	S	*	.			trans	-99	114.4	178.3	48.3	0	0	0	0	109.5
914	L	88.4	Confident	89.5	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.068	28%	0.277	C	S	.	.			trans	-75.3	134	173.4	-75.9	173.6	0	0	0	109.5	V827 F833 T845 M901 F904 V906	V827-L914 HydrophobicContact CG1-CD2 3.99Å; F833-L914 HydrophobicContact CD2-CD2 3.7Å; F833-L914 HydrophobicContact CE2-CD1 4.19Å; F833-L914 HydrophobicContact CE2-CD2 4.02Å; F833-L914 HydrophobicContact CE2-CG 4.38Å; F833-L914 HydrophobicContact CG-CD2 4.15Å; F833-L914 HydrophobicContact CZ-CD1 4.37Å; T845-L914 HydrophobicContact CG2-CD1 4Å; M901-L914 HydrophobicContact CE-CB 3.86Å; M901-L914 WeakPolarHBondContact CE-O 3.29Å; F904-L914 HydrophobicContact CD1-CD1 4.5Å; F904-L914 HydrophobicContact CE1-CD1 3.95Å; V906-L914 HydrophobicContact CG2-CD1 3.66Å; V906-L914 HydrophobicContact CG2-CG 3.89Å
915	Q	90.5	Very high	89.5	Confident	90 Å²	90	53.4 Å²	53.4	42%	0.421	27%	0.274	S	S	.	.			trans	-114.6	144.9	175.2	-65.2	-176.2	-34.3	0	0	109	C828 P956	C828-Q915 HydrophobicContact CB-CB 4.13Å; C828-Q915 WeakPolarHBondContact CB-O 3.13Å; C828-Q915 PolarHBondContact N-O 2.92Å; C828-Q915 PolarHBondContact SG-O 3.13Å; Q915-P956 HydrophobicContact CB-CB 4.08Å
916	I	93.6	Very high	89.7	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.2	174.3	63	178.2	0	0	0	110.2	V825 D826 V827 F853 L897 M901 M918 G957	V825-I916 HydrophobicContact CG1-CB 3.9Å; V825-I916 HydrophobicContact CG1-CD1 3.75Å; V825-I916 HydrophobicContact CG1-CG1 4.31Å; V825-I916 HydrophobicContact CG1-CG2 4.13Å; D826-I916 CarbonylContact O-C 3.55Å; D826-I916 VanDerWaalsContact O-CA 3.22Å; D826-I916 WeakPolarHBondContact O-CA 3.12Å; V827-I916 HydrophobicContact CG2-CG2 4.43Å; F853-I916 HydrophobicContact CZ-CD1 4.47Å; F853-I916 HydrophobicContact CZ-CG2 4.47Å; L897-I916 HydrophobicContact CB-CD1 4.35Å; M901-I916 HydrophobicContact CE-CG2 4.04Å; M901-I916 HydrophobicContact CG-CD1 3.4Å; M901-I916 HydrophobicContact CG-CG1 3.76Å; M901-I916 HydrophobicContact CG-CG2 4.14Å; M901-I916 HydrophobicContact SD-CD1 4.39Å; M901-I916 HydrophobicContact SD-CG2 4.06Å; I916-M918 HydrophobicContact CD1-CE 3.72Å; I916-M918 HydrophobicContact CD1-CG 4.11Å; I916-M918 HydrophobicContact CD1-SD 3.8Å; I916-M918 HydrophobicContact CG1-CE 4.05Å; I916-M918 HydrophobicContact CG1-CG 4.36Å; I916-G957 WeakPolarHBondContact O-CA 3.12Å; I916-G957 PolarHBondContact O-N 2.85Å
917	K	93.6	Very high	89.8	Confident	46 Å²	46	48 Å²	48	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.1	164.4	-78.4	162.3	-173.7	-144.8	0	108.3	V825 D826 C828 A951 G954	V825-K917 WeakPolarHBondContact CA-O 3.18Å; D826-K917 PolarHBondContact N-O 2.88Å; D826-K917 PolarHBondContact O-N 2.78Å; C828-K917 VanDerWaalsContact SG-CE 3.58Å; C828-K917 WeakPolarHBondContact SG-CG 3.48Å; K917-A951 WeakPolarHBondContact CB-O 3.39Å; K917-G954 WeakPolarHBondContact CD-O 3.39Å; K917-G954 WeakPolarHBondContact CE-O 3.37Å; K917-G954 PolarHBondContact NZ-O 2.82Å
918	M	96.5	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.3	-179.8	-70.3	-178.3	-81.7	0	0	110.4	L823 V824 V825 L897 Q898 I916 S958 I959 Q960	L823-M918 HydrophobicContact CD1-CB 3.85Å; L823-M918 HydrophobicContact CD1-CG 4.13Å; L823-M918 HydrophobicContact CD1-SD 4.39Å; V824-M918 VanDerWaalsContact O-CA 3.31Å; V824-M918 WeakPolarHBondContact O-CA 3.31Å; V825-M918 HydrophobicContact CB-CG 4.37Å; V825-M918 HydrophobicContact CG1-CG 4.02Å; V825-M918 HydrophobicContact CG2-CG 4.06Å; V825-M918 HydrophobicContact CG2-SD 4.45Å; L897-M918 HydrophobicContact CB-SD 4.12Å; L897-M918 HydrophobicContact CD1-SD 4.44Å; Q898-M918 HydrophobicContact CB-CE 3.85Å; Q898-M918 HydrophobicContact CG-CE 4.22Å; I916-M918 HydrophobicContact CD1-CE 3.72Å; I916-M918 HydrophobicContact CD1-CG 4.11Å; I916-M918 HydrophobicContact CD1-SD 3.8Å; I916-M918 HydrophobicContact CG1-CE 4.05Å; I916-M918 HydrophobicContact CG1-CG 4.36Å; M918-S958 PolarHBondContact N-O 2.81Å; M918-I959 HydrophobicContact CB-CB 4.46Å; M918-I959 HydrophobicContact CB-CG1 4.17Å; M918-I959 HydrophobicContact CB-CG2 4.35Å; M918-I959 HydrophobicContact CE-CD1 4.07Å; M918-I959 HydrophobicContact CE-CG1 3.44Å; M918-I959 VanDerWaalsContact CE-CG1 3.44Å; M918-I959 HydrophobicContact SD-CG1 4.22Å; M918-Q960 PolarHBondContact O-N 3.02Å
919	G	96.1	Very high	90.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.8	175.4	0	0	0	0	0	110.8	L823 V824	L823-G919 WeakPolarHBondContact CA-O 3.37Å; V824-G919 PolarHBondContact N-O 3.07Å; V824-G919 PolarHBondContact O-N 2.75Å
920	I	97.5	Very high	90.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.8	178.2	-56.2	173.1	0	0	0	109.2	T821 L822 L823 I890 I959 Q960 L961 S962 T965	T821-I920 HydrophobicContact CG2-CG2 3.52Å; L822-I920 VanDerWaalsContact O-CA 3.31Å; L822-I920 WeakPolarHBondContact O-CA 3.49Å; L823-I920 HydrophobicContact CB-CG1 4.42Å; L823-I920 HydrophobicContact CD1-CD1 4.42Å; L823-I920 HydrophobicContact CD1-CG1 3.75Å; I890-I920 HydrophobicContact CG2-CD1 4.04Å; I890-I920 HydrophobicContact CG2-CG1 4.08Å; I890-I920 HydrophobicContact CG2-CG2 3.86Å; I920-I959 HydrophobicContact CD1-CG2 3.44Å; I920-I959 VanDerWaalsContact CD1-CG2 3.44Å; I920-I959 HydrophobicContact CG1-CG2 4.05Å; I920-Q960 PolarHBondContact N-O 3.36Å; I920-L961 HydrophobicContact CB-CG 4.22Å; I920-L961 WeakPolarHBondContact O-CA 3.46Å; I920-S962 PolarHBondContact O-N 3.21Å; I920-T965 HydrophobicContact CG2-CG2 4.16Å
921	T	95.9	Very high	90.2	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.3	167.5	-166	0	0	0	0	110.3	L822 T943 M946 A947 S962 T965	L822-T921 PolarHBondContact N-O 2.82Å; L822-T921 PolarHBondContact O-N 3.35Å; L822-T921 VanDerWaalsContact O-N 3.15Å; T921-T943 HydrophobicContact CG2-CG2 3.83Å; T921-T943 VanDerWaalsContact CG2-O 3.22Å; T921-T943 WeakPolarHBondContact CG2-O 3.42Å; T921-M946 HydrophobicContact CG2-CB 4.15Å; T921-M946 HydrophobicContact CG2-CG 4.22Å; T921-A947 HydrophobicContact CG2-CB 3.64Å; T921-S962 PolarHBondContact OG1-OG 3.5Å; T921-T965 VanDerWaalsContact CA-OG1 3.3Å; T921-T965 WeakPolarHBondContact CA-OG1 3.47Å
922	S	94.6	Very high	89.9	Confident	19 Å²	19	35.3 Å²	35.3	13%	0.133	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.8	172	-52.5	0	0	0	0	110.8	V820 T821 T965	V820-S922 CarbonylContact O-C 3.45Å; V820-S922 WeakPolarHBondContact O-CA 3.42Å; V820-S922 WeakPolarHBondContact O-CB 3.4Å; T821-S922 PolarHBondContact OG1-OG 3.32Å; S922-T965 PolarHBondContact N-OG1 2.86Å; S922-T965 WeakPolarHBondContact OG-CG2 3.39Å
923	G	93	Very high	89.5	Confident	18 Å²	18	38.8 Å²	38.8	19%	0.186	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-177.4	-178.8	0	0	0	0	0	112	V820 T943	V820-G923 WeakPolarHBondContact CG2-O 3.37Å; V820-G923 PolarHBondContact N-O 3.01Å; V820-G923 PolarHBondContact O-N 2.77Å; G923-T943 WeakPolarHBondContact CA-OG1 3.43Å
924	A	92.1	Very high	89.2	Confident	42 Å²	42	36.7 Å²	36.7	35%	0.347	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	145.1	178.5	0	0	0	0	0	111.5	H817 S818 T943	H817-A924 CarbonylContact O-C 3.42Å; H817-A924 VanDerWaalsContact O-CA 3.23Å; H817-A924 WeakPolarHBondContact O-CA 3.35Å; S818-A924 WeakPolarHBondContact O-CA 3.28Å; S818-A924 WeakPolarHBondContact O-CB 3.45Å; A924-T943 PolarHBondContact N-OG1 2.83Å; A924-T943 WeakPolarHBondContact O-CB 3.48Å; A924-T943 PolarHBondContact O-OG1 3.11Å
925	V	92.6	Very high	88.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.1	172.7	-60	0	0	0	0	110.7	H817 V820 L822 I878 F940 T943 V944	H817-V925 HydrophobicContact CB-CG2 4.43Å; H817-V925 PolarHBondContact N-O 3.46Å; H817-V925 PolarHBondContact O-N 2.94Å; V820-V925 HydrophobicContact CB-CG2 4.33Å; V820-V925 HydrophobicContact CG1-CG2 3.92Å; V820-V925 HydrophobicContact CG2-CB 4.2Å; V820-V925 HydrophobicContact CG2-CG1 3.71Å; V820-V925 HydrophobicContact CG2-CG2 3.45Å; V820-V925 VanDerWaalsContact CG2-CG2 3.45Å; L822-V925 HydrophobicContact CD1-CG1 4.23Å; I878-V925 HydrophobicContact CD1-CG2 3.57Å; V925-F940 CarbonylContact C-O 3.52Å; V925-F940 VanDerWaalsContact CA-O 3.29Å; V925-F940 WeakPolarHBondContact CA-O 3.37Å; V925-F940 WeakPolarHBondContact CB-O 3.33Å; V925-T943 HydrophobicContact CG1-CG2 4.29Å; V925-V944 HydrophobicContact CG1-CG2 4.29Å
926	A	91	Very high	88.5	Confident	29 Å²	29	40.9 Å²	40.9	24%	0.24	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137	161.5	0	0	0	0	0	108.8	E815 I939 F940	E815-A926 CarbonylContact O-C 3.55Å; E815-A926 WeakPolarHBondContact O-CA 3.37Å; A926-I939 CarbonylContact O-C 3.58Å; A926-I939 VanDerWaalsContact O-CA 3.27Å; A926-I939 WeakPolarHBondContact O-CA 3.49Å; A926-F940 PolarHBondContact N-O 3.27Å; A926-F940 PolarHBondContact O-N 2.9Å
927	A	90.2	Very high	88.2	Confident	5 Å²	5	41.4 Å²	41.4	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.1	175.6	0	0	0	0	0	111.1	P814 E815 I878 F937 C938 I939	P814-A927 CarbonylContact C-O 3.58Å; P814-A927 VanDerWaalsContact CA-O 3.24Å; P814-A927 WeakPolarHBondContact CA-O 3Å; E815-A927 PolarHBondContact N-O 2.98Å; E815-A927 PolarHBondContact O-N 2.84Å; I878-A927 HydrophobicContact CD1-CB 3.96Å; I878-A927 HydrophobicContact CG2-CB 4Å; A927-F937 HydrophobicContact CB-CE1 4.31Å; A927-F937 HydrophobicContact CB-CE2 4.39Å; A927-F937 HydrophobicContact CB-CZ 3.74Å; A927-C938 WeakPolarHBondContact CA-O 3.43Å; A927-I939 HydrophobicContact CB-CG2 3.96Å
928	G	88.8	Confident	88	Confident	7 Å²	7	40 Å²	40	7%	0.072	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	175.3	179.5	0	0	0	0	0	113.2	C938	G928-C938 PolarHBondContact N-O 3.27Å; G928-C938 PolarHBondContact O-N 2.96Å
929	I	87.4	Confident	87.7	Confident	37 Å²	37	40.5 Å²	40.5	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.1	176.3	-64.6	169	0	0	0	110.1	V802 I806 V812 P935 R936 F937	V802-I929 HydrophobicContact CG1-CD1 3.3Å; V802-I929 HydrophobicContact CG1-CG1 3.98Å; I806-I929 HydrophobicContact CD1-CD1 3.37Å; I806-I929 HydrophobicContact CG1-CD1 4.15Å; V812-I929 HydrophobicContact CB-CD1 3.96Å; V812-I929 HydrophobicContact CG1-CD1 4.06Å; V812-I929 HydrophobicContact CG1-CG1 4.45Å; V812-I929 HydrophobicContact CG2-CD1 4.06Å; I929-P935 HydrophobicContact CG2-CB 3.5Å; I929-P935 VanDerWaalsContact CG2-CB 3.5Å; I929-R936 WeakPolarHBondContact CA-O 3.42Å; I929-F937 HydrophobicContact CG1-CD2 4.3Å
930	L	83.8	Confident	87.3	Confident	80 Å²	80	45.8 Å²	45.8	42%	0.419	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136	174.4	-57.1	175.8	0	0	0	111.1	P935 R936 C938 F940	L930-P935 WeakPolarHBondContact O-CA 3.26Å; L930-R936 PolarHBondContact N-O 2.86Å; L930-R936 PolarHBondContact O-N 3.19Å; L930-C938 HydrophobicContact CD1-CB 3.7Å; L930-C938 HydrophobicContact CG-CB 4.16Å; L930-F940 HydrophobicContact CD1-CE2 3.62Å; L930-F940 HydrophobicContact CD1-CZ 3.43Å; L930-F940 VanDerWaalsContact CD1-CZ 3.43Å; L930-F940 HydrophobicContact CD2-CE2 4.36Å; L930-F940 HydrophobicContact CG-CE2 4.33Å
931	G	80.5	Confident	87	Confident	58 Å²	58	47.4 Å²	47.4	60%	0.598	31%	0.305	S	S	*	.			trans	82.8	148	178.4	0	0	0	0	0	113.5	P935	G931-P935 WeakPolarHBondContact O-CA 3.38Å
932	S	74.5	Confident	86.7	Confident	116 Å²	116	51.3 Å²	51.3	81%	0.811	33%	0.325	S	S	*	.	S	Bend	trans	-97.6	-39.1	178.2	50.4	0	0	0	0	112.7
933	T	74.8	Confident	86.6	Confident	141 Å²	141	51.2 Å²	51.2	87%	0.865	32%	0.324	S	S	*	.	S	Bend	trans	-78.6	-36.3	-176.3	-46	0	0	0	0	113.1
934	A	77.8	Confident	86.5	Confident	62 Å²	62	51.3 Å²	51.3	51%	0.512	32%	0.321	S	S	.	.	S	Bend	trans	-136	77.5	176.9	0	0	0	0	0	107.8	R936	A934-R936 PolarHBondContact O-N 3.12Å
935	P	80.5	Confident	86.4	Confident	63 Å²	63	54.1 Å²	54.1	41%	0.409	33%	0.33	S	S	.	.			trans	-66	126.9	-173.4	25.9	-33.2	0	0	0	110.5	I929 L930 G931	I929-P935 HydrophobicContact CG2-CB 3.5Å; I929-P935 VanDerWaalsContact CG2-CB 3.5Å; L930-P935 WeakPolarHBondContact O-CA 3.26Å; G931-P935 WeakPolarHBondContact O-CA 3.38Å
936	R	83.5	Confident	86.4	Confident	128 Å²	128	55.5 Å²	55.5	48%	0.483	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.7	178.5	-61.9	171.9	-174	-129.5	10.5	109.8	E866 I929 L930 A934 C938	E866-R936 WeakPolarHBondContact OE2-CD 3.37Å; E866-R936 VanDerWaalsContact OE2-CG 3.26Å; E866-R936 WeakPolarHBondContact OE2-CG 3.21Å; E866-R936 IonicContact OE2-CZ 3.99Å; E866-R936 IonicContact OE2-NE 2.75Å; E866-R936 PolarHBondContact OE2-NE 2.85Å; E866-R936 IonicContact OE2-NH1 3.97Å; E866-R936 PolarHBondContact OE2-NH1 3.34Å; I929-R936 WeakPolarHBondContact CA-O 3.42Å; L930-R936 PolarHBondContact N-O 2.86Å; L930-R936 PolarHBondContact O-N 3.19Å; A934-R936 PolarHBondContact O-N 3.12Å; R936-C938 PolarHBondContact O-N 3.45Å
937	F	87.3	Confident	86.5	Confident	12 Å²	12	54.1 Å²	54.1	5%	0.053	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.6	169	-169.8	-101.8	0	0	0	109.1	L798 P799 V802 F863 V865 I878 A927 I929 I939	L798-F937 HydrophobicContact CD2-CB 3.84Å; P799-F937 HydrophobicContact CG-CD1 3.94Å; P799-F937 HydrophobicContact CG-CD2 4.33Å; P799-F937 HydrophobicContact CG-CE1 3.94Å; P799-F937 HydrophobicContact CG-CE2 4.34Å; P799-F937 HydrophobicContact CG-CG 4.13Å; P799-F937 HydrophobicContact CG-CZ 4.13Å; V802-F937 HydrophobicContact CG1-CD2 4.43Å; V802-F937 HydrophobicContact CG2-CD2 4.39Å; V802-F937 HydrophobicContact CG2-CE2 3.96Å; F863-F937 HydrophobicContact CD1-CD1 4.07Å; F863-F937 HydrophobicContact CE1-CB 4.22Å; F863-F937 AromaticContact CE1-CD1 3.74Å; F863-F937 HydrophobicContact CE1-CD1 3.74Å; F863-F937 HydrophobicContact CE1-CG 4.3Å; V865-F937 WeakPolarHBondContact CG1-O 3.45Å; I878-F937 HydrophobicContact CG2-CE1 4.01Å; I878-F937 HydrophobicContact CG2-CZ 3.61Å; A927-F937 HydrophobicContact CB-CE1 4.31Å; A927-F937 HydrophobicContact CB-CE2 4.39Å; A927-F937 HydrophobicContact CB-CZ 3.74Å; I929-F937 HydrophobicContact CG1-CD2 4.3Å; F937-I939 HydrophobicContact CE1-CG2 4.44Å
938	C	88.5	Confident	86.5	Confident	16 Å²	16	56.1 Å²	56.1	11%	0.108	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.8	-174.4	-66.2	0	0	0	0	111	A927 G928 L930 R936 F940	A927-C938 WeakPolarHBondContact CA-O 3.43Å; G928-C938 PolarHBondContact N-O 3.27Å; G928-C938 PolarHBondContact O-N 2.96Å; L930-C938 HydrophobicContact CD1-CB 3.7Å; L930-C938 HydrophobicContact CG-CB 4.16Å; R936-C938 PolarHBondContact O-N 3.45Å; C938-F940 HydrophobicContact CB-CE2 3.94Å; C938-F940 HydrophobicContact CB-CZ 4.24Å
939	I	90.6	Very high	86.7	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.056	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.6	172.3	67.9	-179.6	0	0	0	110.7	L822 V865 L873 C875 I878 A926 A927 F937 V944	L822-I939 HydrophobicContact CD1-CD1 3.91Å; L822-I939 HydrophobicContact CD2-CD1 3.4Å; L822-I939 HydrophobicContact CG-CD1 4.3Å; V865-I939 HydrophobicContact CG1-CB 4.47Å; V865-I939 HydrophobicContact CG1-CD1 4.34Å; V865-I939 HydrophobicContact CG1-CG1 3.96Å; V865-I939 HydrophobicContact CG1-CG2 4.14Å; V865-I939 HydrophobicContact CG2-CD1 4.33Å; V865-I939 HydrophobicContact CG2-CG2 4.36Å; L873-I939 HydrophobicContact CD2-CD1 3.97Å; L873-I939 HydrophobicContact CD2-CG1 4.2Å; C875-I939 HydrophobicContact CB-CD1 4.28Å; I878-I939 HydrophobicContact CD1-CG2 3.89Å; A926-I939 CarbonylContact O-C 3.58Å; A926-I939 VanDerWaalsContact O-CA 3.27Å; A926-I939 WeakPolarHBondContact O-CA 3.49Å; A927-I939 HydrophobicContact CB-CG2 3.96Å; F937-I939 HydrophobicContact CE1-CG2 4.44Å; I939-V944 HydrophobicContact CD1-CG2 4.09Å; I939-V944 HydrophobicContact CG1-CG2 3.81Å
940	F	89	Confident	87	Confident	112 Å²	112	58.4 Å²	58.4	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.8	-178.7	-64.1	-78.2	0	0	0	111.4	V925 A926 L930 C938	V925-F940 CarbonylContact C-O 3.52Å; V925-F940 VanDerWaalsContact CA-O 3.29Å; V925-F940 WeakPolarHBondContact CA-O 3.37Å; V925-F940 WeakPolarHBondContact CB-O 3.33Å; A926-F940 PolarHBondContact N-O 3.27Å; A926-F940 PolarHBondContact O-N 2.9Å; L930-F940 HydrophobicContact CD1-CE2 3.62Å; L930-F940 HydrophobicContact CD1-CZ 3.43Å; L930-F940 VanDerWaalsContact CD1-CZ 3.43Å; L930-F940 HydrophobicContact CD2-CE2 4.36Å; L930-F940 HydrophobicContact CG-CE2 4.33Å; C938-F940 HydrophobicContact CB-CE2 3.94Å; C938-F940 HydrophobicContact CB-CZ 4.24Å
941	G	89.6	Confident	87.4	Confident	34 Å²	34	54.7 Å²	54.7	35%	0.351	32%	0.324	S	S	.	.	S	Bend	trans	147.7	165.9	172.8	0	0	0	0	0	112.6	T943 V944	G941-T943 PolarHBondContact O-N 3.24Å; G941-V944 WeakPolarHBondContact O-CB 3.42Å; G941-V944 PolarHBondContact O-N 3.33Å
942	D	89.4	Confident	87.9	Confident	88 Å²	88	54.7 Å²	54.7	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-57.3	-31.1	176	-173.9	57.3	0	0	0	112.1	V944 N945 M946 K989	D942-V944 VanDerWaalsContact C-N 3.29Å; D942-V944 PolarHBondContact O-N 3.43Å; D942-N945 PolarHBondContact O-N 3.27Å; D942-M946 WeakPolarHBondContact O-CB 3.31Å; D942-M946 PolarHBondContact O-N 3.05Å; D942-K989 VanDerWaalsContact CG-NZ 3.3Å; D942-K989 WeakPolarHBondContact OD1-CE 3.35Å; D942-K989 IonicContact OD1-NZ 3.72Å; D942-K989 PolarHBondContact OD1-NZ 3.25Å; D942-K989 WeakPolarHBondContact OD2-CE 3.47Å; D942-K989 IonicContact OD2-NZ 3.36Å; D942-K989 PolarHBondContact OD2-NZ 3.29Å
943	T	92.7	Very high	88.7	Confident	16 Å²	16	50.8 Å²	50.8	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-37.9	173.7	-48.7	0	0	0	0	112.6	L822 T921 G923 A924 V925 G941 M946 A947	L822-T943 HydrophobicContact CD1-CG2 3.92Å; L822-T943 HydrophobicContact CG-CG2 4.24Å; T921-T943 HydrophobicContact CG2-CG2 3.83Å; T921-T943 VanDerWaalsContact CG2-O 3.22Å; T921-T943 WeakPolarHBondContact CG2-O 3.42Å; G923-T943 WeakPolarHBondContact CA-OG1 3.43Å; A924-T943 PolarHBondContact N-OG1 2.83Å; A924-T943 WeakPolarHBondContact O-CB 3.48Å; A924-T943 PolarHBondContact O-OG1 3.11Å; V925-T943 HydrophobicContact CG1-CG2 4.29Å; G941-T943 PolarHBondContact O-N 3.24Å; T943-M946 PolarHBondContact O-N 3.12Å; T943-A947 WeakPolarHBondContact O-CB 3.41Å; T943-A947 PolarHBondContact O-N 3.02Å
944	V	91.9	Very high	89.5	Confident	20 Å²	20	44.1 Å²	44.1	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-47.2	178.3	-175.2	0	0	0	0	110.1	L822 V925 I939 G941 D942 M946 A947 C948	L822-V944 HydrophobicContact CD1-CB 4.23Å; L822-V944 HydrophobicContact CD1-CG2 3.78Å; V925-V944 HydrophobicContact CG1-CG2 4.29Å; I939-V944 HydrophobicContact CD1-CG2 4.09Å; I939-V944 HydrophobicContact CG1-CG2 3.81Å; G941-V944 WeakPolarHBondContact O-CB 3.42Å; G941-V944 PolarHBondContact O-N 3.33Å; D942-V944 VanDerWaalsContact C-N 3.29Å; D942-V944 PolarHBondContact O-N 3.43Å; V944-M946 VanDerWaalsContact C-N 3.33Å; V944-M946 PolarHBondContact O-N 3.42Å; V944-A947 WeakPolarHBondContact O-CB 3.49Å; V944-A947 PolarHBondContact O-N 3.44Å; V944-A947 VanDerWaalsContact O-N 3.16Å; V944-C948 PolarHBondContact O-N 2.7Å; V944-C948 PolarHBondContact O-SG 2.7Å; V944-C948 VanDerWaalsContact O-SG 3.39Å
945	N	90	Very high	90.1	Very high	101 Å²	101	45 Å²	45	54%	0.54	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-44.4	176.9	-68.4	-36.4	0	0	0	111.1	D942 A947 C948 R949	D942-N945 PolarHBondContact O-N 3.27Å; N945-A947 VanDerWaalsContact C-N 3.32Å; N945-A947 PolarHBondContact O-N 3.23Å; N945-C948 PolarHBondContact O-N 3.1Å; N945-R949 VanDerWaalsContact O-CG 3.32Å; N945-R949 WeakPolarHBondContact O-CG 3.47Å; N945-R949 PolarHBondContact O-N 3.5Å
946	M	92.3	Very high	90.7	Very high	30 Å²	30	44.6 Å²	44.6	15%	0.148	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-40.5	176.3	-173	62.4	170.7	0	0	111.6	T921 D942 T943 V944 C948 R949 M950 V986	T921-M946 HydrophobicContact CG2-CB 4.15Å; T921-M946 HydrophobicContact CG2-CG 4.22Å; D942-M946 WeakPolarHBondContact O-CB 3.31Å; D942-M946 PolarHBondContact O-N 3.05Å; T943-M946 PolarHBondContact O-N 3.12Å; V944-M946 VanDerWaalsContact C-N 3.33Å; V944-M946 PolarHBondContact O-N 3.42Å; M946-C948 PolarHBondContact O-N 2.63Å; M946-R949 PolarHBondContact O-N 3.36Å; M946-R949 VanDerWaalsContact O-N 3.15Å; M946-M950 HydrophobicContact CE-CE 3.67Å; M946-M950 HydrophobicContact CE-SD 4.13Å; M946-M950 WeakPolarHBondContact O-CG 3.29Å; M946-M950 PolarHBondContact O-N 2.78Å; M946-M950 HydrophobicContact SD-CE 4.03Å; M946-V986 HydrophobicContact SD-CG1 4.39Å
947	A	92.8	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-47.1	176.5	0	0	0	0	0	111.4	L822 V824 T921 T943 V944 N945 R949 M950 A951	L822-A947 HydrophobicContact CB-CB 3.92Å; L822-A947 HydrophobicContact CD1-CB 4.31Å; V824-A947 HydrophobicContact CG2-CB 3.63Å; T921-A947 HydrophobicContact CG2-CB 3.64Å; T943-A947 WeakPolarHBondContact O-CB 3.41Å; T943-A947 PolarHBondContact O-N 3.02Å; V944-A947 WeakPolarHBondContact O-CB 3.49Å; V944-A947 PolarHBondContact O-N 3.44Å; V944-A947 VanDerWaalsContact O-N 3.16Å; N945-A947 VanDerWaalsContact C-N 3.32Å; N945-A947 PolarHBondContact O-N 3.23Å; A947-R949 VanDerWaalsContact C-N 3.28Å; A947-R949 PolarHBondContact O-N 3.32Å; A947-M950 PolarHBondContact O-N 3.15Å; A947-A951 PolarHBondContact O-N 3.14Å
948	C	91.5	Very high	91.3	Very high	46 Å²	46	41 Å²	41	31%	0.311	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-38.1	175.5	-64.3	0	0	0	0	111.7	V944 N945 M946 A951 S952	V944-C948 PolarHBondContact O-N 2.7Å; V944-C948 PolarHBondContact O-SG 2.7Å; V944-C948 VanDerWaalsContact O-SG 3.39Å; N945-C948 PolarHBondContact O-N 3.1Å; M946-C948 PolarHBondContact O-N 2.63Å; C948-A951 PolarHBondContact O-N 3.11Å; C948-S952 WeakPolarHBondContact O-CB 3.46Å; C948-S952 PolarHBondContact O-N 3.07Å; C948-S952 PolarHBondContact O-OG 3.49Å
949	R	91.6	Very high	91.7	Very high	93 Å²	93	40.2 Å²	40.2	35%	0.351	23%	0.234	S	C	.	.	H	α-helix	trans	-67.8	-40.2	176.3	-65.3	-61	177	-146.4	-10.1	112.8	N945 M946 A947 A951 S952 T953 V986	N945-R949 VanDerWaalsContact O-CG 3.32Å; N945-R949 WeakPolarHBondContact O-CG 3.47Å; N945-R949 PolarHBondContact O-N 3.5Å; M946-R949 PolarHBondContact O-N 3.36Å; M946-R949 VanDerWaalsContact O-N 3.15Å; A947-R949 VanDerWaalsContact C-N 3.28Å; A947-R949 PolarHBondContact O-N 3.32Å; R949-A951 PolarHBondContact O-N 3.2Å; R949-S952 WeakPolarHBondContact CA-OG 3.19Å; R949-S952 PolarHBondContact O-N 3.24Å; R949-S952 PolarHBondContact O-OG 2.92Å; R949-T953 WeakPolarHBondContact O-CB 3.47Å; R949-T953 WeakPolarHBondContact O-CG2 3.28Å; R949-T953 PolarHBondContact O-N 3.4Å; R949-T953 PolarHBondContact O-OG1 2.63Å; R949-V986 HydrophobicContact CB-CG1 3.71Å; R949-V986 HydrophobicContact CG-CG1 3.75Å
950	M	94.1	Very high	92	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-34.9	174.9	-66	-58.1	92.2	0	0	111.4	M946 A947 G954 Q960 V986 T994	M946-M950 HydrophobicContact CE-CE 3.67Å; M946-M950 HydrophobicContact CE-SD 4.13Å; M946-M950 WeakPolarHBondContact O-CG 3.29Å; M946-M950 PolarHBondContact O-N 2.78Å; M946-M950 HydrophobicContact SD-CE 4.03Å; A947-M950 PolarHBondContact O-N 3.15Å; M950-G954 PolarHBondContact O-N 3.48Å; M950-Q960 HydrophobicContact CB-CG 4.43Å; M950-Q960 WeakPolarHBondContact O-CB 3.39Å; M950-Q960 VanDerWaalsContact O-CD 3.3Å; M950-Q960 PolarHBondContact O-OE1 3.09Å; M950-Q960 HydrophobicContact SD-CG 4.12Å; M950-Q960 PolarHBondContact SD-NE2 2.85Å; M950-V986 HydrophobicContact CE-CG2 3.77Å; M950-T994 HydrophobicContact CE-CG2 4.11Å; M950-T994 HydrophobicContact SD-CG2 3.82Å
951	A	93.1	Very high	92.4	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-72.7	-48.8	174.1	0	0	0	0	0	111.7	V824 K917 A947 C948 R949 T953 G954	V824-A951 HydrophobicContact CB-CB 3.9Å; V824-A951 HydrophobicContact CG1-CB 3.65Å; K917-A951 WeakPolarHBondContact CB-O 3.39Å; A947-A951 PolarHBondContact O-N 3.14Å; C948-A951 PolarHBondContact O-N 3.11Å; R949-A951 PolarHBondContact O-N 3.2Å; A951-T953 PolarHBondContact O-N 3.18Å; A951-G954 PolarHBondContact O-N 3.24Å; A951-G954 VanDerWaalsContact O-N 3.14Å
952	S	90.3	Very high	92.7	Very high	58 Å²	58	33 Å²	33	41%	0.406	19%	0.193	S	C	.	.	H	α-helix	trans	-67.1	-36.2	-174.2	68.2	0	0	0	0	113.5	C948 R949 G954	C948-S952 WeakPolarHBondContact O-CB 3.46Å; C948-S952 PolarHBondContact O-N 3.07Å; C948-S952 PolarHBondContact O-OG 3.49Å; R949-S952 WeakPolarHBondContact CA-OG 3.19Å; R949-S952 PolarHBondContact O-N 3.24Å; R949-S952 PolarHBondContact O-OG 2.92Å; S952-G954 VanDerWaalsContact C-N 3.26Å
953	T	91.4	Very high	92.9	Very high	33 Å²	33	33 Å²	33	20%	0.202	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.7	178.2	58.6	0	0	0	0	112.6	R949 A951 Q960 R981 I984	R949-T953 WeakPolarHBondContact O-CB 3.47Å; R949-T953 WeakPolarHBondContact O-CG2 3.28Å; R949-T953 PolarHBondContact O-N 3.4Å; R949-T953 PolarHBondContact O-OG1 2.63Å; A951-T953 PolarHBondContact O-N 3.18Å; T953-Q960 PolarHBondContact OG1-NE2 2.86Å; T953-R981 PolarHBondContact O-NH1 2.94Å; T953-R981 PolarHBondContact O-NH2 2.88Å; T953-I984 HydrophobicContact CG2-CG2 4.34Å
954	G	90.8	Very high	92.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-72.5	158.7	179.3	0	0	0	0	0	114.3	K917 M950 A951 S952	K917-G954 WeakPolarHBondContact CD-O 3.39Å; K917-G954 WeakPolarHBondContact CE-O 3.37Å; K917-G954 PolarHBondContact NZ-O 2.82Å; M950-G954 PolarHBondContact O-N 3.48Å; A951-G954 PolarHBondContact O-N 3.24Å; A951-G954 VanDerWaalsContact O-N 3.14Å; S952-G954 VanDerWaalsContact C-N 3.26Å
955	N	91.9	Very high	93	Very high	81 Å²	81	37.5 Å²	37.5	43%	0.433	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-85.3	143.2	172.9	-71.8	-8.2	0	0	0	109.4	G957 S958 W996	N955-G957 PolarHBondContact O-N 2.89Å; N955-S958 WeakPolarHBondContact O-CB 3.31Å; N955-S958 PolarHBondContact O-N 2.75Å; N955-W996 HydrophobicContact CB-CH2 3.9Å; N955-W996 HydrophobicContact CB-CZ2 4.18Å
956	P	92	Very high	93.3	Very high	55 Å²	55	32.7 Å²	32.7	36%	0.357	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.6	174.3	-24.7	34.1	0	0	0	112.1	Q915 S958	Q915-P956 HydrophobicContact CB-CB 4.08Å; P956-S958 PolarHBondContact O-N 2.95Å
957	G	90.8	Very high	93.4	Very high	30 Å²	30	34.5 Å²	34.5	31%	0.309	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-1	-179	0	0	0	0	0	115.4	Q898 I916 N955	Q898-G957 PolarHBondContact NE2-O 3.38Å; I916-G957 WeakPolarHBondContact O-CA 3.12Å; I916-G957 PolarHBondContact O-N 2.85Å; N955-G957 PolarHBondContact O-N 2.89Å
958	S	93.1	Very high	93.4	Very high	33 Å²	33	36.2 Å²	36.2	23%	0.231	21%	0.207	C	C	.	.			trans	-105	155.7	-176.9	-52.3	0	0	0	0	112.2	M918 N955 P956	M918-S958 PolarHBondContact N-O 2.81Å; N955-S958 WeakPolarHBondContact O-CB 3.31Å; N955-S958 PolarHBondContact O-N 2.75Å; P956-S958 PolarHBondContact O-N 2.95Å
959	I	97.1	Very high	93.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.7	178.7	-56.8	158.9	0	0	0	108.8	L895 Q898 M918 I920 L961 W996 L997	L895-I959 HydrophobicContact CD2-CD1 3.87Å; L895-I959 HydrophobicContact CG-CD1 4.43Å; Q898-I959 HydrophobicContact CB-CD1 4.33Å; M918-I959 HydrophobicContact CB-CB 4.46Å; M918-I959 HydrophobicContact CB-CG1 4.17Å; M918-I959 HydrophobicContact CB-CG2 4.35Å; M918-I959 HydrophobicContact CE-CD1 4.07Å; M918-I959 HydrophobicContact CE-CG1 3.44Å; M918-I959 VanDerWaalsContact CE-CG1 3.44Å; M918-I959 HydrophobicContact SD-CG1 4.22Å; I920-I959 HydrophobicContact CD1-CG2 3.44Å; I920-I959 VanDerWaalsContact CD1-CG2 3.44Å; I920-I959 HydrophobicContact CG1-CG2 4.05Å; I959-L961 HydrophobicContact CG2-CD1 4.45Å; I959-W996 WeakPolarHBondContact O-CA 3.41Å; I959-L997 HydrophobicContact CB-CB 4.14Å; I959-L997 HydrophobicContact CD1-CD2 4.35Å; I959-L997 HydrophobicContact CG2-CB 4.03Å; I959-L997 HydrophobicContact CG2-CD2 4.18Å; I959-L997 PolarHBondContact O-N 3Å
960	Q	97.7	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.7	-177.7	-171.2	170.8	-44.2	0	0	112.2	M918 I920 M950 T953 F995 W996	M918-Q960 PolarHBondContact O-N 3.02Å; I920-Q960 PolarHBondContact N-O 3.36Å; M950-Q960 HydrophobicContact CB-CG 4.43Å; M950-Q960 WeakPolarHBondContact O-CB 3.39Å; M950-Q960 VanDerWaalsContact O-CD 3.3Å; M950-Q960 PolarHBondContact O-OE1 3.09Å; M950-Q960 HydrophobicContact SD-CG 4.12Å; M950-Q960 PolarHBondContact SD-NE2 2.85Å; T953-Q960 PolarHBondContact OG1-NE2 2.86Å; Q960-F995 CarbonylContact C-O 3.21Å; Q960-F995 WeakPolarHBondContact CA-O 3.42Å; Q960-W996 HydrophobicContact CB-CE3 4.07Å; Q960-W996 HydrophobicContact CB-CH2 4.47Å; Q960-W996 HydrophobicContact CB-CZ3 3.63Å; Q960-W996 HydrophobicContact CG-CZ3 4.21Å
961	L	97.2	Very high	93.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.6	175.4	-64.1	89.9	0	0	0	110.8	I920 I959 T965 A966 L969 L978 T994 F995 L997	I920-L961 HydrophobicContact CB-CG 4.22Å; I920-L961 WeakPolarHBondContact O-CA 3.46Å; I959-L961 HydrophobicContact CG2-CD1 4.45Å; L961-T965 HydrophobicContact CD2-CG2 4.1Å; L961-A966 HydrophobicContact CB-CB 4.26Å; L961-L969 HydrophobicContact CD2-CD2 3.82Å; L961-L978 HydrophobicContact CD1-CD2 3.92Å; L961-L978 HydrophobicContact CD2-CD2 4.1Å; L961-L978 HydrophobicContact CG-CD2 4.48Å; L961-T994 WeakPolarHBondContact O-CA 3.45Å; L961-F995 HydrophobicContact CB-CB 4.44Å; L961-F995 PolarHBondContact N-O 3.43Å; L961-F995 PolarHBondContact O-N 3.03Å; L961-L997 HydrophobicContact CD1-CB 3.36Å
962	S	94.7	Very high	93.3	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	151.9	164.4	63.4	0	0	0	0	110.9	I920 T921 L964 T965 A966	I920-S962 PolarHBondContact O-N 3.21Å; T921-S962 PolarHBondContact OG1-OG 3.5Å; S962-L964 PolarHBondContact O-N 3.01Å; S962-T965 WeakPolarHBondContact O-CB 3.42Å; S962-T965 PolarHBondContact O-N 3.42Å; S962-T965 WeakPolarHBondContact OG-CB 3.28Å; S962-T965 PolarHBondContact OG-OG1 2.82Å; S962-A966 PolarHBondContact O-N 2.8Å
963	E	94.4	Very high	93.4	Very high	87 Å²	87	42.8 Å²	42.8	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-49.2	-52.9	179.7	178.8	176.5	-159.9	0	0	113.5	T965 A966 N967 L993 F995	E963-T965 PolarHBondContact O-N 3.02Å; E963-A966 PolarHBondContact O-N 2.83Å; E963-A966 VanDerWaalsContact O-N 3.17Å; E963-N967 WeakPolarHBondContact O-CB 3.42Å; E963-N967 VanDerWaalsContact O-CG 3.29Å; E963-N967 PolarHBondContact O-N 2.83Å; E963-L993 HydrophobicContact CB-CB 4.3Å; E963-L993 WeakPolarHBondContact CB-O 3.47Å; E963-L993 HydrophobicContact CG-CB 4.42Å; E963-L993 HydrophobicContact CG-CD2 4.36Å; E963-L993 PolarHBondContact N-O 3.34Å; E963-F995 HydrophobicContact CB-CE2 4.43Å; E963-F995 HydrophobicContact CG-CE2 4.41Å
964	L	91.7	Very high	93.2	Very high	131 Å²	131	45.7 Å²	45.7	69%	0.686	25%	0.249	S	C	*	.	H	α-helix	trans	-57	-38.7	179.5	-69.5	174.1	0	0	0	112.3	S962 T968	S962-L964 PolarHBondContact O-N 3.01Å; L964-T968 WeakPolarHBondContact O-CB 3.47Å; L964-T968 PolarHBondContact O-N 3.27Å; L964-T968 VanDerWaalsContact O-N 3.13Å; L964-T968 PolarHBondContact O-OG1 3.31Å
965	T	95.4	Very high	93.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-72.5	-42.3	-179.8	-51.3	0	0	0	0	111.4	L887 I920 T921 S922 L961 S962 E963 T968 L969	L887-T965 HydrophobicContact CD1-CG2 3.45Å; L887-T965 VanDerWaalsContact CD1-CG2 3.45Å; L887-T965 HydrophobicContact CD2-CG2 4.49Å; I920-T965 HydrophobicContact CG2-CG2 4.16Å; T921-T965 VanDerWaalsContact CA-OG1 3.3Å; T921-T965 WeakPolarHBondContact CA-OG1 3.47Å; S922-T965 PolarHBondContact N-OG1 2.86Å; S922-T965 WeakPolarHBondContact OG-CG2 3.39Å; L961-T965 HydrophobicContact CD2-CG2 4.1Å; S962-T965 WeakPolarHBondContact O-CB 3.42Å; S962-T965 PolarHBondContact O-N 3.42Å; S962-T965 WeakPolarHBondContact OG-CB 3.28Å; S962-T965 PolarHBondContact OG-OG1 2.82Å; E963-T965 PolarHBondContact O-N 3.02Å; T965-T968 PolarHBondContact O-N 3.1Å; T965-L969 WeakPolarHBondContact O-CB 3.46Å; T965-L969 PolarHBondContact O-N 3.17Å
966	A	94.7	Very high	93.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-45.2	177.4	0	0	0	0	0	111.5	L961 S962 E963 T968 L969 M970 L978 F995	L961-A966 HydrophobicContact CB-CB 4.26Å; S962-A966 PolarHBondContact O-N 2.8Å; E963-A966 PolarHBondContact O-N 2.83Å; E963-A966 VanDerWaalsContact O-N 3.17Å; A966-T968 VanDerWaalsContact C-N 3.35Å; A966-T968 PolarHBondContact O-N 2.96Å; A966-L969 WeakPolarHBondContact O-CB 3.45Å; A966-L969 PolarHBondContact O-N 3.28Å; A966-L969 VanDerWaalsContact O-N 3.14Å; A966-M970 WeakPolarHBondContact O-CG 3.47Å; A966-M970 PolarHBondContact O-N 3.48Å; A966-L978 HydrophobicContact CB-CD2 4.29Å; A966-F995 HydrophobicContact CB-CB 3.77Å; A966-F995 HydrophobicContact CB-CD1 4.25Å; A966-F995 HydrophobicContact CB-CD2 3.26Å; A966-F995 HydrophobicContact CB-CE2 3.88Å; A966-F995 HydrophobicContact CB-CG 3.49Å; A966-F995 VanDerWaalsContact CB-CG 3.49Å
967	N	94.5	Very high	93.4	Very high	68 Å²	68	44 Å²	44	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-46.2	177	-69.3	-15.1	0	0	0	111.2	E963 L969 M970 E971	E963-N967 WeakPolarHBondContact O-CB 3.42Å; E963-N967 VanDerWaalsContact O-CG 3.29Å; E963-N967 PolarHBondContact O-N 2.83Å; N967-L969 VanDerWaalsContact C-N 3.31Å; N967-L969 PolarHBondContact O-N 3.14Å; N967-M970 PolarHBondContact O-N 3.02Å; N967-M970 VanDerWaalsContact OD1-CE 3.31Å; N967-M970 WeakPolarHBondContact OD1-CE 3.49Å; N967-E971 WeakPolarHBondContact O-CB 3.42Å; N967-E971 PolarHBondContact O-N 3.29Å
968	T	92.9	Very high	93.5	Very high	36 Å²	36	44.3 Å²	44.3	22%	0.221	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-38.1	176.1	-53.1	0	0	0	0	111.8	F884 L887 L964 T965 A966 K972	F884-T968 HydrophobicContact CD1-CG2 3.54Å; F884-T968 HydrophobicContact CE1-CG2 3.82Å; F884-T968 HydrophobicContact CG-CG2 4.31Å; L887-T968 HydrophobicContact CD2-CG2 3.89Å; L964-T968 WeakPolarHBondContact O-CB 3.47Å; L964-T968 PolarHBondContact O-N 3.27Å; L964-T968 VanDerWaalsContact O-N 3.13Å; L964-T968 PolarHBondContact O-OG1 3.31Å; T965-T968 PolarHBondContact O-N 3.1Å; A966-T968 VanDerWaalsContact C-N 3.35Å; A966-T968 PolarHBondContact O-N 2.96Å; T968-K972 HydrophobicContact CG2-CG 4.27Å; T968-K972 WeakPolarHBondContact O-CB 3.39Å; T968-K972 WeakPolarHBondContact O-CG 3.26Å; T968-K972 PolarHBondContact O-N 3.43Å
969	L	94	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-45.2	178.5	-171.3	64.3	0	0	0	111.5	L887 L961 T965 A966 N967 E971 F973 F976 L978 L997	L887-L969 HydrophobicContact CD1-CD1 4.34Å; L887-L969 HydrophobicContact CD2-CB 3.99Å; L887-L969 HydrophobicContact CD2-CD1 4.07Å; L887-L969 HydrophobicContact CG-CD1 3.85Å; L961-L969 HydrophobicContact CD2-CD2 3.82Å; T965-L969 WeakPolarHBondContact O-CB 3.46Å; T965-L969 PolarHBondContact O-N 3.17Å; A966-L969 WeakPolarHBondContact O-CB 3.45Å; A966-L969 PolarHBondContact O-N 3.28Å; A966-L969 VanDerWaalsContact O-N 3.14Å; N967-L969 VanDerWaalsContact C-N 3.31Å; N967-L969 PolarHBondContact O-N 3.14Å; L969-E971 VanDerWaalsContact C-N 3.34Å; L969-E971 PolarHBondContact O-N 3.15Å; L969-F973 HydrophobicContact CD1-CB 4.06Å; L969-F973 HydrophobicContact CD1-CD2 4.08Å; L969-F973 CarbonylContact O-C 3.59Å; L969-F973 WeakPolarHBondContact O-CA 3.13Å; L969-F973 PolarHBondContact O-N 3.2Å; L969-F976 HydrophobicContact CD1-CB 4.32Å; L969-F976 HydrophobicContact CD1-CD2 3.56Å; L969-F976 HydrophobicContact CD1-CE2 4.09Å; L969-F976 HydrophobicContact CD1-CG 4.08Å; L969-F976 HydrophobicContact CD2-CB 3.9Å; L969-F976 HydrophobicContact CD2-CG 4.23Å; L969-F976 HydrophobicContact CG-CB 4.04Å; L969-F976 HydrophobicContact CG-CD2 4.2Å; L969-F976 HydrophobicContact CG-CG 4.34Å; L969-L978 HydrophobicContact CB-CD1 4.23Å; L969-L978 HydrophobicContact CD2-CD1 3.98Å; L969-L978 HydrophobicContact CD2-CD2 4.13Å; L969-L978 HydrophobicContact CD2-CG 4.33Å; L969-L978 HydrophobicContact CG-CD1 4.19Å; L969-L997 HydrophobicContact CD2-CD1 4.4Å
970	M	92.4	Very high	93.5	Very high	83 Å²	83	54.4 Å²	54.4	41%	0.409	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-42.8	176.3	-70.9	-173.9	-76	0	0	111.9	A966 N967 L978 F995	A966-M970 WeakPolarHBondContact O-CG 3.47Å; A966-M970 PolarHBondContact O-N 3.48Å; N967-M970 PolarHBondContact O-N 3.02Å; N967-M970 VanDerWaalsContact OD1-CE 3.31Å; N967-M970 WeakPolarHBondContact OD1-CE 3.49Å; M970-L978 HydrophobicContact CG-CD1 3.3Å; M970-L978 HydrophobicContact SD-CD1 4.21Å; M970-F995 HydrophobicContact CE-CE1 4.35Å
971	E	92	Very high	93.1	Very high	134 Å²	134	58 Å²	58	63%	0.626	29%	0.287	S	S	*	.	H	α-helix	trans	-70	-46.8	-178.3	-166.1	-159.5	151.1	0	0	112.2	N967 L969	N967-E971 WeakPolarHBondContact O-CB 3.42Å; N967-E971 PolarHBondContact O-N 3.29Å; L969-E971 VanDerWaalsContact C-N 3.34Å; L969-E971 PolarHBondContact O-N 3.15Å
972	K	91.1	Very high	92.9	Very high	84 Å²	84	58.8 Å²	58.8	37%	0.365	30%	0.296	S	S	.	.	H	α-helix	trans	-93.9	-26.4	-170.6	-57.2	-53.7	-174.7	-163.6	0	114	F884 T968	F884-K972 HydrophobicContact CB-CG 4.33Å; F884-K972 HydrophobicContact CD2-CD 4.15Å; F884-K972 HydrophobicContact CD2-CG 3.93Å; F884-K972 HydrophobicContact CE2-CD 4.38Å; F884-K972 HydrophobicContact CE2-CG 4.44Å; F884-K972 HydrophobicContact CG-CG 4.04Å; T968-K972 HydrophobicContact CG2-CG 4.27Å; T968-K972 WeakPolarHBondContact O-CB 3.39Å; T968-K972 WeakPolarHBondContact O-CG 3.26Å; T968-K972 PolarHBondContact O-N 3.43Å
973	F	91.7	Very high	92.7	Very high	37 Å²	37	64.9 Å²	64.9	16%	0.162	33%	0.326	C	S	.	.			trans	-138.4	70.8	-175.6	-54.2	-75.1	0	0	0	111.6	F884 R888 L969 S975 F976	F884-F973 HydrophobicContact CB-CE2 3.96Å; F884-F973 HydrophobicContact CB-CZ 4.29Å; F884-F973 WeakPolarHBondContact O-CE2 3.08Å; F884-F973 WeakPolarHBondContact O-CZ 3.48Å; R888-F973 HydrophobicContact CB-CD1 4.17Å; R888-F973 HydrophobicContact CB-CD2 4.31Å; R888-F973 HydrophobicContact CB-CE1 3.93Å; R888-F973 HydrophobicContact CB-CE2 4.07Å; R888-F973 HydrophobicContact CB-CG 4.35Å; R888-F973 HydrophobicContact CB-CZ 3.87Å; R888-F973 HydrophobicContact CG-CD1 4.37Å; R888-F973 HydrophobicContact CG-CE1 4.37Å; L969-F973 HydrophobicContact CD1-CB 4.06Å; L969-F973 HydrophobicContact CD1-CD2 4.08Å; L969-F973 CarbonylContact O-C 3.59Å; L969-F973 WeakPolarHBondContact O-CA 3.13Å; L969-F973 PolarHBondContact O-N 3.2Å; F973-S975 PolarHBondContact O-N 3.34Å; F973-F976 HydrophobicContact CB-CD2 3.72Å; F973-F976 HydrophobicContact CB-CE2 3.97Å; F973-F976 PolarHBondContact O-N 3.46Å; F973-F976 VanDerWaalsContact O-N 3.13Å
974	P	87.2	Confident	92.6	Very high	93 Å²	93	62 Å²	62	60%	0.604	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-1.7	-176	28.8	-37.3	0	0	0	114.5	F976	P974-F976 VanDerWaalsContact C-N 3.31Å
975	S	90.7	Very high	92.5	Very high	19 Å²	19	61.9 Å²	61.9	13%	0.133	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.6	170.9	57	0	0	0	0	112.2	F973 E1000 K1001	F973-S975 PolarHBondContact O-N 3.34Å; S975-E1000 CarbonylContact O-C 3.43Å; S975-K1001 WeakPolarHBondContact O-CB 3.4Å; S975-K1001 PolarHBondContact O-N 3.34Å
976	F	93.9	Very high	92.2	Very high	11 Å²	11	62 Å²	62	5%	0.048	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.4	179.1	-66.7	-79.9	0	0	0	111.7	R888 C891 K892 L895 L969 F973 P974 L997 G999 E1000	R888-F976 HydrophobicContact CB-CE2 4.48Å; R888-F976 HydrophobicContact CG-CE2 4.04Å; R888-F976 HydrophobicContact CG-CZ 4.16Å; C891-F976 HydrophobicContact CB-CD1 4.06Å; C891-F976 HydrophobicContact CB-CE1 3.6Å; C891-F976 HydrophobicContact CB-CE2 4.34Å; C891-F976 HydrophobicContact CB-CZ 3.75Å; K892-F976 HydrophobicContact CG-CE1 4.4Å; K892-F976 HydrophobicContact CG-CZ 4.04Å; L895-F976 HydrophobicContact CD1-CD1 4.15Å; L895-F976 HydrophobicContact CD1-CE1 3.99Å; L969-F976 HydrophobicContact CD1-CB 4.32Å; L969-F976 HydrophobicContact CD1-CD2 3.56Å; L969-F976 HydrophobicContact CD1-CE2 4.09Å; L969-F976 HydrophobicContact CD1-CG 4.08Å; L969-F976 HydrophobicContact CD2-CB 3.9Å; L969-F976 HydrophobicContact CD2-CG 4.23Å; L969-F976 HydrophobicContact CG-CB 4.04Å; L969-F976 HydrophobicContact CG-CD2 4.2Å; L969-F976 HydrophobicContact CG-CG 4.34Å; F973-F976 HydrophobicContact CB-CD2 3.72Å; F973-F976 HydrophobicContact CB-CE2 3.97Å; F973-F976 PolarHBondContact O-N 3.46Å; F973-F976 VanDerWaalsContact O-N 3.13Å; P974-F976 VanDerWaalsContact C-N 3.31Å; F976-L997 HydrophobicContact CB-CD1 3.9Å; F976-L997 HydrophobicContact CD1-CD1 3.86Å; F976-L997 HydrophobicContact CG-CD1 4.27Å; F976-G999 WeakPolarHBondContact CA-O 3.5Å; F976-E1000 HydrophobicContact CD1-CB 3.83Å; F976-E1000 HydrophobicContact CD1-CG 3.93Å; F976-E1000 HydrophobicContact CE1-CB 3.88Å; F976-E1000 HydrophobicContact CE1-CG 3.81Å; F976-E1000 HydrophobicContact CG-CG 4.44Å; F976-E1000 HydrophobicContact CZ-CG 4.22Å
977	M	94.3	Very high	91.7	Very high	73 Å²	73	70 Å²	70	36%	0.36	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.6	180	-60.8	-174.9	-65.2	0	0	109.2	T998 G999 K1001	M977-T998 PolarHBondContact O-N 3.18Å; M977-T998 PolarHBondContact O-OG1 3.12Å; M977-G999 PolarHBondContact N-O 3.24Å; M977-K1001 HydrophobicContact CG-CD 4.44Å; M977-K1001 HydrophobicContact CG-CG 3.76Å; M977-K1001 HydrophobicContact SD-CG 3.77Å
978	L	93.9	Very high	91.3	Very high	36 Å²	36	70.6 Å²	70.6	19%	0.188	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.8	-177.7	-70.3	144.6	0	0	0	109.9	L961 A966 L969 M970 F995 W996	L961-L978 HydrophobicContact CD1-CD2 3.92Å; L961-L978 HydrophobicContact CD2-CD2 4.1Å; L961-L978 HydrophobicContact CG-CD2 4.48Å; A966-L978 HydrophobicContact CB-CD2 4.29Å; L969-L978 HydrophobicContact CB-CD1 4.23Å; L969-L978 HydrophobicContact CD2-CD1 3.98Å; L969-L978 HydrophobicContact CD2-CD2 4.13Å; L969-L978 HydrophobicContact CD2-CG 4.33Å; L969-L978 HydrophobicContact CG-CD1 4.19Å; M970-L978 HydrophobicContact CG-CD1 3.3Å; M970-L978 HydrophobicContact SD-CD1 4.21Å; L978-F995 HydrophobicContact CD2-CB 4.08Å; L978-W996 CarbonylContact C-O 3.57Å; L978-W996 VanDerWaalsContact CA-O 3.25Å; L978-W996 WeakPolarHBondContact CA-O 3.33Å
979	E	94.3	Very high	90.9	Very high	110 Å²	110	74 Å²	74	51%	0.514	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.7	172.5	-68.8	176.9	-172.2	0	0	109.2	R981 F995 W996 T998	E979-R981 PolarHBondContact O-N 3.27Å; E979-F995 CarbonylContact O-C 3.27Å; E979-F995 VanDerWaalsContact O-CA 3.29Å; E979-F995 WeakPolarHBondContact O-CA 3.24Å; E979-W996 HydrophobicContact CB-CB 4.41Å; E979-W996 PolarHBondContact N-O 2.96Å; E979-W996 PolarHBondContact O-N 3.01Å; E979-T998 HydrophobicContact CB-CG2 4.38Å; E979-T998 HydrophobicContact CG-CG2 3.94Å
980	E	94.6	Very high	90.6	Very high	135 Å²	135	75.8 Å²	75.8	63%	0.631	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.9	175	-170.1	-175.8	141.2	0	0	109.5	L993 F995	E980-L993 HydrophobicContact CG-CD1 3.99Å; E980-F995 HydrophobicContact CB-CD1 4.16Å; E980-F995 HydrophobicContact CB-CE1 3.95Å; E980-F995 HydrophobicContact CG-CD1 4.48Å; E980-F995 HydrophobicContact CG-CE1 4.05Å; E980-F995 HydrophobicContact CG-CZ 4.41Å
981	R	90.2	Very high	90.5	Very high	75 Å²	75	74.9 Å²	74.9	28%	0.283	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-31.3	174.9	177.9	-176.2	169.7	171.6	-4.6	111.8	T953 E979 I984 T994 W996	T953-R981 PolarHBondContact O-NH1 2.94Å; T953-R981 PolarHBondContact O-NH2 2.88Å; E979-R981 PolarHBondContact O-N 3.27Å; R981-I984 VanDerWaalsContact NE-CD1 3.3Å; R981-T994 WeakPolarHBondContact CB-O 3.41Å; R981-T994 WeakPolarHBondContact CD-OG1 3.41Å; R981-T994 PolarHBondContact N-O 3.37Å; R981-W996 HydrophobicContact CG-CZ2 3.98Å; R981-W996 VanDerWaalsContact NH1-CH2 3.26Å
982	G	91.7	Very high	90.4	Very high	18 Å²	18	69.5 Å²	69.5	19%	0.186	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.7	-170.4	-170.3	0	0	0	0	0	113.1	T994	G982-T994 PolarHBondContact O-N 3.3Å; G982-T994 PolarHBondContact O-OG1 3.32Å
983	M	92	Very high	90.5	Very high	133 Å²	133	66.7 Å²	66.7	66%	0.655	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	132	-176.4	-64.6	-67.8	-178.9	0	0	111.6	C992 L993	M983-C992 WeakPolarHBondContact CA-O 3.02Å; M983-L993 HydrophobicContact CE-CB 4.05Å; M983-L993 HydrophobicContact CE-CD1 4.34Å; M983-L993 HydrophobicContact SD-CB 3.87Å; M983-L993 HydrophobicContact SD-CD1 4.35Å; M983-L993 PolarHBondContact SD-N 3.17Å; M983-L993 VanDerWaalsContact SD-N 3.42Å
984	I	91.8	Very high	90.7	Very high	26 Å²	26	65 Å²	65	13%	0.133	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.1	172.3	-45.9	161.9	0	0	0	109.4	T953 R981 V986 A991 C992 T994	T953-I984 HydrophobicContact CG2-CG2 4.34Å; R981-I984 VanDerWaalsContact NE-CD1 3.3Å; I984-V986 PolarHBondContact O-N 3.4Å; I984-A991 WeakPolarHBondContact O-CA 3.09Å; I984-C992 PolarHBondContact N-O 3.04Å; I984-C992 PolarHBondContact O-N 3.48Å; I984-T994 HydrophobicContact CD1-CG2 3.8Å; I984-T994 WeakPolarHBondContact CD1-OG1 3.23Å
985	D	90.1	Very high	91.2	Very high	129 Å²	129	61.3 Å²	61.3	69%	0.69	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	111.2	168.9	-71.2	-39.4	0	0	0	111.9
986	V	88.3	Confident	91.4	Very high	3 Å²	3	62 Å²	62	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.5	174.4	176.8	0	0	0	0	109	M946 R949 M950 I984 G988 K989 G990 C992	M946-V986 HydrophobicContact SD-CG1 4.39Å; R949-V986 HydrophobicContact CB-CG1 3.71Å; R949-V986 HydrophobicContact CG-CG1 3.75Å; M950-V986 HydrophobicContact CE-CG2 3.77Å; I984-V986 PolarHBondContact O-N 3.4Å; V986-G988 PolarHBondContact O-N 3.26Å; V986-K989 HydrophobicContact CB-CB 4.16Å; V986-K989 HydrophobicContact CG1-CB 4.1Å; V986-K989 HydrophobicContact CG1-CG 4.2Å; V986-K989 PolarHBondContact O-N 2.9Å; V986-G990 PolarHBondContact N-O 3.16Å; V986-G990 PolarHBondContact O-N 3.46Å; V986-C992 HydrophobicContact CG2-CB 3.9Å
987	K	84.7	Confident	91.6	Very high	166 Å²	166	61.6 Å²	61.6	72%	0.722	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	115.3	-179.8	-176	176.9	180	176.9	0	111.1
988	G	85.2	Confident	91.5	Very high	82 Å²	82	60.9 Å²	60.9	85%	0.845	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-6.3	179.8	0	0	0	0	0	115.7	V986	V986-G988 PolarHBondContact O-N 3.26Å
989	K	84.9	Confident	91.5	Very high	107 Å²	107	59.7 Å²	59.7	47%	0.465	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-18.2	177.1	-64.2	-66.2	-172.2	179	0	113.5	D942 V986	D942-K989 VanDerWaalsContact CG-NZ 3.3Å; D942-K989 WeakPolarHBondContact OD1-CE 3.35Å; D942-K989 IonicContact OD1-NZ 3.72Å; D942-K989 PolarHBondContact OD1-NZ 3.25Å; D942-K989 WeakPolarHBondContact OD2-CE 3.47Å; D942-K989 IonicContact OD2-NZ 3.36Å; D942-K989 PolarHBondContact OD2-NZ 3.29Å; V986-K989 HydrophobicContact CB-CB 4.16Å; V986-K989 HydrophobicContact CG1-CB 4.1Å; V986-K989 HydrophobicContact CG1-CG 4.2Å; V986-K989 PolarHBondContact O-N 2.9Å
990	G	88.4	Confident	91.3	Very high	37 Å²	37	57.8 Å²	57.8	38%	0.381	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.7	-161.6	-173.9	0	0	0	0	0	111.9	V986 C992	V986-G990 PolarHBondContact N-O 3.16Å; V986-G990 PolarHBondContact O-N 3.46Å; G990-C992 PolarHBondContact O-N 2.84Å; G990-C992 PolarHBondContact O-SG 3.22Å; G990-C992 VanDerWaalsContact O-SG 3.39Å
991	A	89.9	Confident	90.8	Very high	64 Å²	64	57 Å²	57	53%	0.529	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	116.7	177.6	0	0	0	0	0	110.8	I984	I984-A991 WeakPolarHBondContact O-CA 3.09Å
992	C	90.1	Very high	89.7	Confident	22 Å²	22	60.5 Å²	60.5	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.6	-179.3	-62.4	0	0	0	0	110.6	M983 I984 V986 G990	M983-C992 WeakPolarHBondContact CA-O 3.02Å; I984-C992 PolarHBondContact N-O 3.04Å; I984-C992 PolarHBondContact O-N 3.48Å; V986-C992 HydrophobicContact CG2-CB 3.9Å; G990-C992 PolarHBondContact O-N 2.84Å; G990-C992 PolarHBondContact O-SG 3.22Å; G990-C992 VanDerWaalsContact O-SG 3.39Å
993	L	93.8	Very high	88	Confident	25 Å²	25	65.3 Å²	65.3	13%	0.131	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.9	170.9	-172.7	64.7	0	0	0	110	E963 E980 M983 F995	E963-L993 HydrophobicContact CB-CB 4.3Å; E963-L993 WeakPolarHBondContact CB-O 3.47Å; E963-L993 HydrophobicContact CG-CB 4.42Å; E963-L993 HydrophobicContact CG-CD2 4.36Å; E963-L993 PolarHBondContact N-O 3.34Å; E980-L993 HydrophobicContact CG-CD1 3.99Å; M983-L993 HydrophobicContact CE-CB 4.05Å; M983-L993 HydrophobicContact CE-CD1 4.34Å; M983-L993 HydrophobicContact SD-CB 3.87Å; M983-L993 HydrophobicContact SD-CD1 4.35Å; M983-L993 PolarHBondContact SD-N 3.17Å; M983-L993 VanDerWaalsContact SD-N 3.42Å; L993-F995 HydrophobicContact CD2-CE2 3.92Å; L993-F995 HydrophobicContact CD2-CZ 3.89Å; L993-F995 HydrophobicContact CG-CE2 3.94Å; L993-F995 HydrophobicContact CG-CZ 4.25Å
994	T	94.9	Very high	85.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.8	-177.2	56.8	0	0	0	0	112	M950 L961 R981 G982 I984	M950-T994 HydrophobicContact CE-CG2 4.11Å; M950-T994 HydrophobicContact SD-CG2 3.82Å; L961-T994 WeakPolarHBondContact O-CA 3.45Å; R981-T994 WeakPolarHBondContact CB-O 3.41Å; R981-T994 WeakPolarHBondContact CD-OG1 3.41Å; R981-T994 PolarHBondContact N-O 3.37Å; G982-T994 PolarHBondContact O-N 3.3Å; G982-T994 PolarHBondContact O-OG1 3.32Å; I984-T994 HydrophobicContact CD1-CG2 3.8Å; I984-T994 WeakPolarHBondContact CD1-OG1 3.23Å
995	F	96.9	Very high	83.4	Confident	16 Å²	16	75.1 Å²	75.1	7%	0.07	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.6	-175.4	-64.3	-99.1	0	0	0	111.2	Q960 L961 E963 A966 M970 L978 E979 E980 L993	Q960-F995 CarbonylContact C-O 3.21Å; Q960-F995 WeakPolarHBondContact CA-O 3.42Å; L961-F995 HydrophobicContact CB-CB 4.44Å; L961-F995 PolarHBondContact N-O 3.43Å; L961-F995 PolarHBondContact O-N 3.03Å; E963-F995 HydrophobicContact CB-CE2 4.43Å; E963-F995 HydrophobicContact CG-CE2 4.41Å; A966-F995 HydrophobicContact CB-CB 3.77Å; A966-F995 HydrophobicContact CB-CD1 4.25Å; A966-F995 HydrophobicContact CB-CD2 3.26Å; A966-F995 HydrophobicContact CB-CE2 3.88Å; A966-F995 HydrophobicContact CB-CG 3.49Å; A966-F995 VanDerWaalsContact CB-CG 3.49Å; M970-F995 HydrophobicContact CE-CE1 4.35Å; L978-F995 HydrophobicContact CD2-CB 4.08Å; E979-F995 CarbonylContact O-C 3.27Å; E979-F995 VanDerWaalsContact O-CA 3.29Å; E979-F995 WeakPolarHBondContact O-CA 3.24Å; E980-F995 HydrophobicContact CB-CD1 4.16Å; E980-F995 HydrophobicContact CB-CE1 3.95Å; E980-F995 HydrophobicContact CG-CD1 4.48Å; E980-F995 HydrophobicContact CG-CE1 4.05Å; E980-F995 HydrophobicContact CG-CZ 4.41Å; L993-F995 HydrophobicContact CD2-CE2 3.92Å; L993-F995 HydrophobicContact CD2-CZ 3.89Å; L993-F995 HydrophobicContact CG-CE2 3.94Å; L993-F995 HydrophobicContact CG-CZ 4.25Å
996	W	96.6	Very high	81	Confident	34 Å²	34	80.4 Å²	80.4	13%	0.129	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.5	168.8	-61.8	122	0	0	0	110.3	N955 I959 Q960 L978 E979 R981 T998	N955-W996 HydrophobicContact CB-CH2 3.9Å; N955-W996 HydrophobicContact CB-CZ2 4.18Å; I959-W996 WeakPolarHBondContact O-CA 3.41Å; Q960-W996 HydrophobicContact CB-CE3 4.07Å; Q960-W996 HydrophobicContact CB-CH2 4.47Å; Q960-W996 HydrophobicContact CB-CZ3 3.63Å; Q960-W996 HydrophobicContact CG-CZ3 4.21Å; L978-W996 CarbonylContact C-O 3.57Å; L978-W996 VanDerWaalsContact CA-O 3.25Å; L978-W996 WeakPolarHBondContact CA-O 3.33Å; E979-W996 HydrophobicContact CB-CB 4.41Å; E979-W996 PolarHBondContact N-O 2.96Å; E979-W996 PolarHBondContact O-N 3.01Å; R981-W996 HydrophobicContact CG-CZ2 3.98Å; R981-W996 VanDerWaalsContact NH1-CH2 3.26Å; W996-T998 HydrophobicContact CB-CG2 4.24Å
997	L	96.7	Very high	78.8	Confident	3 Å²	3	87.3 Å²	87.3	2%	0.016	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.3	164.3	171.1	67.1	0	0	0	108.9	C891 L895 I959 L961 L969 F976	C891-L997 HydrophobicContact CB-CD2 3.86Å; L895-L997 HydrophobicContact CD1-CD2 4.49Å; L895-L997 HydrophobicContact CD2-CD2 4.32Å; L895-L997 HydrophobicContact CD2-CG 4.19Å; L895-L997 HydrophobicContact CG-CD2 4.14Å; L895-L997 HydrophobicContact CG-CG 4.49Å; I959-L997 HydrophobicContact CB-CB 4.14Å; I959-L997 HydrophobicContact CD1-CD2 4.35Å; I959-L997 HydrophobicContact CG2-CB 4.03Å; I959-L997 HydrophobicContact CG2-CD2 4.18Å; I959-L997 PolarHBondContact O-N 3Å; L961-L997 HydrophobicContact CD1-CB 3.36Å; L969-L997 HydrophobicContact CD2-CD1 4.4Å; F976-L997 HydrophobicContact CB-CD1 3.9Å; F976-L997 HydrophobicContact CD1-CD1 3.86Å; F976-L997 HydrophobicContact CG-CD1 4.27Å
998	T	93	Very high	76.7	Confident	58 Å²	58	83.9 Å²	83.9	36%	0.356	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-18.1	-174.4	58	0	0	0	0	113.8	M977 E979 W996	M977-T998 PolarHBondContact O-N 3.18Å; M977-T998 PolarHBondContact O-OG1 3.12Å; E979-T998 HydrophobicContact CB-CG2 4.38Å; E979-T998 HydrophobicContact CG-CG2 3.94Å; W996-T998 HydrophobicContact CB-CG2 4.24Å
999	G	92.5	Very high	74.7	Confident	10 Å²	10	85.5 Å²	85.5	10%	0.103	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-173.2	175.3	0	0	0	0	0	114.2	F976 M977	F976-G999 WeakPolarHBondContact CA-O 3.5Å; M977-G999 PolarHBondContact N-O 3.24Å
1000	E	91.3	Very high	72.7	Confident	70 Å²	70	91.1 Å²	91.1	33%	0.327	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.7	171.2	-170.5	176.5	-172	0	0	107.6	K892 L895 S975 F976 D1002	K892-E1000 WeakPolarHBondContact CE-OE1 3.39Å; K892-E1000 WeakPolarHBondContact CE-OE2 3.2Å; L895-E1000 HydrophobicContact CD1-CB 3.95Å; S975-E1000 CarbonylContact O-C 3.43Å; F976-E1000 HydrophobicContact CD1-CB 3.83Å; F976-E1000 HydrophobicContact CD1-CG 3.93Å; F976-E1000 HydrophobicContact CE1-CB 3.88Å; F976-E1000 HydrophobicContact CE1-CG 3.81Å; F976-E1000 HydrophobicContact CG-CG 4.44Å; F976-E1000 HydrophobicContact CZ-CG 4.22Å; E1000-D1002 PolarHBondContact O-N 2.73Å
1001	K	83.4	Confident	70.5	Confident	120 Å²	120	92.9 Å²	92.9	52%	0.522	46%	0.462	S	S	.	.			trans	-64.2	131.6	175.3	-69.6	177.5	-178.1	169.6	0	109.2	S975 M977 I1003	S975-K1001 WeakPolarHBondContact O-CB 3.4Å; S975-K1001 PolarHBondContact O-N 3.34Å; M977-K1001 HydrophobicContact CG-CD 4.44Å; M977-K1001 HydrophobicContact CG-CG 3.76Å; M977-K1001 HydrophobicContact SD-CG 3.77Å; K1001-I1003 VanDerWaalsContact C-N 3.31Å; K1001-I1003 HydrophobicContact CB-CG1 4.11Å; K1001-I1003 PolarHBondContact O-N 2.77Å
1002	D	68.6	Low	68.5	Low	148 Å²	148	94.5 Å²	94.5	79%	0.791	47%	0.469	S	S	*	.			trans	-75.6	81.1	176.3	-132	-6.2	0	0	0	109.6	E1000 M1004	E1000-D1002 PolarHBondContact O-N 2.73Å; D1002-M1004 PolarHBondContact O-N 2.96Å
1003	I	54.6	Low	66.3	Low	118 Å²	118	97.3 Å²	97.3	61%	0.605	49%	0.488	S	S	*	.			trans	-74.6	-0.1	-176.6	-62.6	179.5	0	0	0	112.1	K1001	K1001-I1003 VanDerWaalsContact C-N 3.31Å; K1001-I1003 HydrophobicContact CB-CG1 4.11Å; K1001-I1003 PolarHBondContact O-N 2.77Å
1004	M	45	Very low	63.9	Low	134 Å²	134	101.9 Å²	101.9	66%	0.66	51%	0.511	S	S	*	.			trans	-116.2	51.7	-174.3	-77.3	-68.1	-178.6	0	0	115.4	D1002 Q1007	D1002-M1004 PolarHBondContact O-N 2.96Å; M1004-Q1007 HydrophobicContact SD-CB 4.34Å
1005	R	42.7	Very low	61.8	Low	232 Å²	232	105.7 Å²	105.7	88%	0.875	54%	0.538	S	S	*	.	S	Bend	trans	-110.7	9.1	157	-103.5	-172.9	-178.6	-174.2	2.1	115.7
1006	R	40.2	Very low	59.6	Low	240 Å²	240	111.2 Å²	111.2	91%	0.906	56%	0.564	S	S	*	*	S	Bend	trans	-118.6	13.1	175.5	-87.7	-174.1	177.9	157.6	0.1	117
1007	Q	41.2	Very low	57.3	Low	148 Å²	148	114.3 Å²	114.3	69%	0.692	58%	0.582	S	S	*	*			trans	-130.3	30.5	170	-72.5	-169.6	-8.9	0	0	114.1	M1004 S1009	M1004-Q1007 HydrophobicContact SD-CB 4.34Å; Q1007-S1009 PolarHBondContact O-N 3.28Å
1008	S	39.8	Very low	54.9	Low	94 Å²	94	121 Å²	121	66%	0.657	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	13.7	171.3	92.3	0	0	0	0	114.3
1009	S	43.8	Very low	52.8	Low	116 Å²	116	125.2 Å²	125.2	81%	0.811	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	4.1	175.4	-40	0	0	0	0	113.9	Q1007	Q1007-S1009 PolarHBondContact O-N 3.28Å
1010	R	43.1	Very low	50.7	Low	225 Å²	225	131.1 Å²	131.1	85%	0.849	65%	0.65	S	S	*	*	S	Bend	trans	-125.8	9.3	178.2	-96	-177.5	173.8	169	-1.7	115.7	S1012	R1010-S1012 VanDerWaalsContact C-N 3.33Å; R1010-S1012 PolarHBondContact O-N 3Å
1011	S	42.6	Very low	48.7	Very low	74 Å²	74	133 Å²	133	52%	0.517	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	3.4	178.4	53.3	0	0	0	0	115.2	C1013	S1011-C1013 VanDerWaalsContact C-N 3.3Å; S1011-C1013 PolarHBondContact O-N 3.25Å
1012	S	47.1	Very low	47.1	Very low	97 Å²	97	132 Å²	132	68%	0.678	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-13.1	172.8	74.1	0	0	0	0	113.9	R1010 S1015	R1010-S1012 VanDerWaalsContact C-N 3.33Å; R1010-S1012 PolarHBondContact O-N 3Å; S1012-S1015 PolarHBondContact O-OG 3.33Å
1013	C	43.8	Very low	46.3	Very low	82 Å²	82	131 Å²	131	55%	0.554	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-22.6	176.5	-110.8	0	0	0	0	113.8	S1011 Q1016	S1011-C1013 VanDerWaalsContact C-N 3.3Å; S1011-C1013 PolarHBondContact O-N 3.25Å; C1013-Q1016 PolarHBondContact O-N 3.43Å
1014	I	45.2	Very low	46.1	Very low	121 Å²	121	127.6 Å²	127.6	62%	0.621	64%	0.642	S	S	*	*	H	α-helix	trans	-80.9	-25.6	-175.2	-63.8	176.7	0	0	0	111.8	Q1016 I1017 K1018	I1014-Q1016 VanDerWaalsContact C-N 3.28Å; I1014-Q1016 PolarHBondContact O-N 2.86Å; I1014-I1017 PolarHBondContact O-N 2.58Å; I1014-K1018 PolarHBondContact O-N 3.23Å
1015	S	50.6	Low	46.2	Very low	80 Å²	80	125.8 Å²	125.8	56%	0.559	64%	0.635	S	S	*	*	H	α-helix	trans	-66.8	-28	172.8	51.8	0	0	0	0	112.9	S1012 F1019	S1012-S1015 PolarHBondContact O-OG 3.33Å; S1015-F1019 PolarHBondContact O-N 3.11Å
1016	Q	48.9	Very low	46.6	Very low	131 Å²	131	120.2 Å²	120.2	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-72.2	-40.3	175.1	-90.2	177.1	-35.1	0	0	112.4	C1013 I1014 K1018 F1019 E1020	C1013-Q1016 PolarHBondContact O-N 3.43Å; I1014-Q1016 VanDerWaalsContact C-N 3.28Å; I1014-Q1016 PolarHBondContact O-N 2.86Å; Q1016-K1018 VanDerWaalsContact C-N 3.31Å; Q1016-K1018 PolarHBondContact O-N 3.47Å; Q1016-F1019 PolarHBondContact O-N 2.68Å; Q1016-E1020 PolarHBondContact O-N 3.15Å
1017	I	48.8	Very low	47.1	Very low	99 Å²	99	112 Å²	112	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-68.6	-32.8	178.9	-61.5	174	0	0	0	111.5	I1014 E1020 L1021	I1014-I1017 PolarHBondContact O-N 2.58Å; I1017-E1020 PolarHBondContact O-N 3.09Å; I1017-L1021 HydrophobicContact CG2-CD1 3.99Å; I1017-L1021 WeakPolarHBondContact O-CG 3.47Å; I1017-L1021 PolarHBondContact O-N 2.86Å
1018	K	46.4	Very low	47.2	Very low	145 Å²	145	112.1 Å²	112.1	63%	0.63	60%	0.6	S	S	*	*	H	α-helix	trans	-71.1	-32.9	176.2	-153.4	176.3	-177.1	-173.7	0	112.3	I1014 Q1016 D1022	I1014-K1018 PolarHBondContact O-N 3.23Å; Q1016-K1018 VanDerWaalsContact C-N 3.31Å; Q1016-K1018 PolarHBondContact O-N 3.47Å; K1018-D1022 PolarHBondContact O-N 3.19Å; K1018-D1022 VanDerWaalsContact O-N 3.13Å
1019	F	49	Very low	47.6	Very low	145 Å²	145	114.2 Å²	114.2	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-69.6	-39.6	174.3	-155.2	-90	0	0	0	111.7	S1015 Q1016 D1022 E1023	S1015-F1019 PolarHBondContact O-N 3.11Å; Q1016-F1019 PolarHBondContact O-N 2.68Å; F1019-D1022 PolarHBondContact O-N 2.86Å; F1019-E1023 PolarHBondContact O-N 3.49Å; F1019-E1023 VanDerWaalsContact O-N 3.1Å
1020	E	49.2	Very low	47.6	Very low	135 Å²	135	116 Å²	116	63%	0.631	60%	0.595	S	S	*	*	H	α-helix	trans	-69.2	-32.6	175.8	-74.6	-178.4	170.2	0	0	113.2	Q1016 I1017 A1024	Q1016-E1020 PolarHBondContact O-N 3.15Å; I1017-E1020 PolarHBondContact O-N 3.09Å; E1020-A1024 WeakPolarHBondContact O-CB 3.4Å; E1020-A1024 PolarHBondContact O-N 3.34Å
1021	L	48.6	Very low	47.7	Very low	110 Å²	110	113.7 Å²	113.7	58%	0.576	59%	0.591	S	S	*	*	H	α-helix	trans	-73.3	-35.4	175.5	-76.8	166.5	0	0	0	112.7	I1017 A1024 D1025	I1017-L1021 HydrophobicContact CG2-CD1 3.99Å; I1017-L1021 WeakPolarHBondContact O-CG 3.47Å; I1017-L1021 PolarHBondContact O-N 2.86Å; L1021-A1024 PolarHBondContact O-N 3.02Å; L1021-D1025 PolarHBondContact O-N 3.45Å
1022	D	49.9	Very low	47.7	Very low	97 Å²	97	117.2 Å²	117.2	52%	0.519	60%	0.603	S	S	.	*	H	α-helix	trans	-71.8	-31.2	175.4	-73	-20	0	0	0	111.6	K1018 F1019 N1026	K1018-D1022 PolarHBondContact O-N 3.19Å; K1018-D1022 VanDerWaalsContact O-N 3.13Å; F1019-D1022 PolarHBondContact O-N 2.86Å; D1022-N1026 PolarHBondContact O-N 3.45Å
1023	E	51	Low	47.4	Very low	127 Å²	127	119.8 Å²	119.8	59%	0.593	61%	0.61	S	S	*	*	H	α-helix	trans	-69.8	-38.4	168.9	-90.7	-168.3	158.7	0	0	112.7	F1019 D1025 N1026 S1027	F1019-E1023 PolarHBondContact O-N 3.49Å; F1019-E1023 VanDerWaalsContact O-N 3.1Å; E1023-D1025 VanDerWaalsContact C-N 3.34Å; E1023-D1025 PolarHBondContact O-N 2.94Å; E1023-N1026 PolarHBondContact O-N 3.14Å; E1023-S1027 PolarHBondContact O-N 3Å
1024	A	52.2	Low	47.1	Very low	48 Å²	48	124.6 Å²	124.6	40%	0.397	64%	0.636	S	S	.	*	H	α-helix	trans	-64.3	-37.9	175.9	0	0	0	0	0	112.1	E1020 L1021 S1027 K1028	E1020-A1024 WeakPolarHBondContact O-CB 3.4Å; E1020-A1024 PolarHBondContact O-N 3.34Å; L1021-A1024 PolarHBondContact O-N 3.02Å; A1024-S1027 PolarHBondContact O-N 2.75Å; A1024-S1027 PolarHBondContact O-OG 3.01Å; A1024-K1028 PolarHBondContact O-N 3.35Å; A1024-K1028 VanDerWaalsContact O-N 3.12Å
1025	D	47.4	Very low	47.2	Very low	95 Å²	95	124.8 Å²	124.8	51%	0.508	64%	0.637	S	S	.	*	H	α-helix	trans	-73.3	-32.8	179.2	-150.3	36.8	0	0	0	112.4	L1021 E1023 K1028 K1029	L1021-D1025 PolarHBondContact O-N 3.45Å; E1023-D1025 VanDerWaalsContact C-N 3.34Å; E1023-D1025 PolarHBondContact O-N 2.94Å; D1025-K1028 PolarHBondContact O-N 3.2Å; D1025-K1029 PolarHBondContact O-N 3.34Å; D1025-K1029 VanDerWaalsContact O-N 3.12Å
1026	N	49.6	Very low	47.1	Very low	115 Å²	115	127.2 Å²	127.2	62%	0.615	64%	0.641	S	S	*	*	H	α-helix	trans	-68.6	-34.3	170	-89	-22.6	0	0	0	112.7	D1022 E1023 K1028 K1029 M1030	D1022-N1026 PolarHBondContact O-N 3.45Å; E1023-N1026 PolarHBondContact O-N 3.14Å; N1026-K1028 VanDerWaalsContact C-N 3.33Å; N1026-K1028 PolarHBondContact O-N 3.08Å; N1026-K1029 PolarHBondContact O-N 3.46Å; N1026-M1030 PolarHBondContact O-N 3.04Å; N1026-M1030 VanDerWaalsContact O-N 3.16Å
1027	S	50.4	Low	46.9	Very low	69 Å²	69	126.9 Å²	126.9	48%	0.483	64%	0.643	S	S	.	*	H	α-helix	trans	-66.2	-34.9	173.5	80.5	0	0	0	0	112.5	E1023 A1024 M1030 F1031	E1023-S1027 PolarHBondContact O-N 3Å; A1024-S1027 PolarHBondContact O-N 2.75Å; A1024-S1027 PolarHBondContact O-OG 3.01Å; S1027-M1030 PolarHBondContact O-N 3Å; S1027-F1031 PolarHBondContact O-N 3.09Å
1028	K	45.1	Very low	46.8	Very low	149 Å²	149	128.6 Å²	128.6	65%	0.648	65%	0.651	S	S	*	*	H	α-helix	trans	-69.7	-34.9	174.7	-88.1	-174.9	174.4	179.7	0	113.1	A1024 D1025 N1026 M1030 F1031	A1024-K1028 PolarHBondContact O-N 3.35Å; A1024-K1028 VanDerWaalsContact O-N 3.12Å; D1025-K1028 PolarHBondContact O-N 3.2Å; N1026-K1028 VanDerWaalsContact C-N 3.33Å; N1026-K1028 PolarHBondContact O-N 3.08Å; K1028-M1030 VanDerWaalsContact C-N 3.29Å; K1028-M1030 PolarHBondContact O-N 3.37Å; K1028-F1031 PolarHBondContact O-N 3.46Å
1029	K	46.5	Very low	46.9	Very low	139 Å²	139	127.6 Å²	127.6	60%	0.604	65%	0.652	S	S	*	*	H	α-helix	trans	-68.1	-28.5	172.7	-81.3	-178.9	177.2	170.6	0	113	D1025 N1026	D1025-K1029 PolarHBondContact O-N 3.34Å; D1025-K1029 VanDerWaalsContact O-N 3.12Å; N1026-K1029 PolarHBondContact O-N 3.46Å
1030	M	45.3	Very low	46.7	Very low	153 Å²	153	126.4 Å²	126.4	75%	0.754	65%	0.653	S	S	*	*	H	α-helix	trans	-75.3	-27.5	176.7	-145.3	172.3	-175.9	0	0	112.7	N1026 S1027 K1028 L1032	N1026-M1030 PolarHBondContact O-N 3.04Å; N1026-M1030 VanDerWaalsContact O-N 3.16Å; S1027-M1030 PolarHBondContact O-N 3Å; K1028-M1030 VanDerWaalsContact C-N 3.29Å; K1028-M1030 PolarHBondContact O-N 3.37Å; M1030-L1032 VanDerWaalsContact C-N 3.32Å; M1030-L1032 PolarHBondContact O-N 3.37Å
1031	F	44.4	Very low	46.6	Very low	177 Å²	177	125.8 Å²	125.8	78%	0.776	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-12	175.5	-108.6	-81.2	0	0	0	115	S1027 K1028	S1027-F1031 PolarHBondContact O-N 3.09Å; K1028-F1031 PolarHBondContact O-N 3.46Å
1032	L	43.6	Very low	46.4	Very low	147 Å²	147	127 Å²	127	77%	0.77	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-1.7	175.9	-94.5	152.5	0	0	0	113.5	M1030	M1030-L1032 VanDerWaalsContact C-N 3.32Å; M1030-L1032 PolarHBondContact O-N 3.37Å
1033	N	40.5	Very low	46.1	Very low	152 Å²	152	129.5 Å²	129.5	81%	0.813	67%	0.672	S	S	*	*			trans	-110.5	13.8	174.2	-84.3	-12.7	0	0	0	113.4
1034	V	37.4	Very low	45.7	Very low	183 Å²	183	129.7 Å²	129.7	100%	1.109	68%	0.68	S	S	*	*			trans	-112.4	0	161.4	-176.7	0	0	0	0	106.9

Retrieved 1,034 of 1,034 residues in 309.7 ms (Link to these results)

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