GCY25_CAEEL Loading...

Isoform b of Receptor-type guanylate cyclase gcy-25 AlphaSync

Canonical isoform description: Guanylate cyclase involved in the production of the second messenger cGMP (By similarity).

AlphaFold DB , UniProt , Accession A0A078BQP2-2 (canonical: A0A078BQP2), Species CAEEL (Caenorhabditis elegans), Gene gcy-25, Length 981 aa.

						>GCY25_CAEEL|A0A078BQP2-2|gcy-25
MLLLLLLLKISTFVDSFQIGHLEFENSNETRILEICMKNAGSWRDHRLISLPSCHNFNGLENAANLNYQYSVDLLIGAACDEETQTVSRLALRWHKLYLSSAPLSTKEKESTTIALKPHSLAGTAEVILAMCKSMKWKEIGIIYSEETKYTAHAIYDMLAEQEDDLKINVFLETDGLSNTYTILHSARALISFLTTLDLSKFFKTLKENAFRPLEFSIVHVDCNKSEISNFYTYLDNNAGEEPNPISAARLRKLYRHVALLKNSHDDMEKTEEFAKKYGLVPSYTLYKALILCDGLQLLNNYTAPRGNLSIVQQLPYLWNHVTNTETQGYSGPVFIGNDGVRLPYYEMHMWRDGKAVHVANVKPRESDYCGGNMTKNCYEFLPSSPLLEDLPPYTSDCGYDNNLCSDFHVFMIAAIVFSILLIPMAIAFYLQRKEHLIQQMPWRVPLDSISFDDNGGSLSASRRVSTISTARASYSSIFSGNVAEHAIVNKQKVSVKRHVQRRAITFSRQEMEMLNQLKYMSHTNINPFTGICFNQGSELIVMWQFTTRYSLEDLIFVKEQKFGRNFQSTFIKHIVHGINYIHNSSIKVHGALYLSNCVVDSYWVVKLTDFGIKGILKERTNHKELAPSSAFDVDAIHYKLAHLLSSQSTAPLHPKVPEGNSFTMRLLSIIQQCWLYKPAARPALIKITDAVNREFGQDVKGTLIDQMIEMIDEYSANLEQIVAERTRELEQDMSVTENLLYQLLPKSVADSIRSGKTVVPEQHSSVTLLVVDVCQFTKFCEAFIPVHILETLQELYSSFDNIVQKNKAFKVENVGDAYLICSGIPEMSGFRHLREICKISLKLQAFMKTFKVRHRPSHTLQIKMGITSGAVAAGILGSTAPRFCIFGDTVNMACRMASTGNPGSIQLSELTANTLMEKFPSFMLEERGMIDVKGKGACLTFWLTGEKDIMRRQSSRSSCISQIKFELDEADNSKKMFLNV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	43.3	Very low	192 Å²	192	139.6 Å²	139.6	95%	0.946	72%	0.723	S	S	*	*				0	-51.3	0	-96.9	-166.9	81.2	0	0	113.5	L3 L4 L5	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.04Å; M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 3.19Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2	L	46.8	Very low	42.3	Very low	144 Å²	144	138.1 Å²	138.1	75%	0.754	73%	0.725	S	S	*	*	H	α-helix	trans	-58.4	-36.8	177	-112.4	88.7	0	0	0	113.7	L4 L5 L6	L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.31Å; L2-L5 PolarHBondContact O-N 3.36Å; L2-L6 PolarHBondContact O-N 3.48Å
3	L	47.2	Very low	41.5	Very low	145 Å²	145	142 Å²	142	76%	0.759	73%	0.733	S	S	*	*	H	α-helix	trans	-68.3	-26.9	175.4	-131.9	87.4	0	0	0	113.4	M1	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.04Å
4	L	48.8	Very low	41.7	Very low	121 Å²	121	140.1 Å²	140.1	63%	0.634	73%	0.73	S	S	*	*	H	α-helix	trans	-79	-31	177.5	-132.3	87.4	0	0	0	111.2	M1 L2 L7 L8	M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.49Å; L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.31Å; L4-L7 PolarHBondContact O-N 3.32Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 PolarHBondContact O-N 3.39Å
5	L	51	Low	42.5	Very low	106 Å²	106	138.3 Å²	138.3	56%	0.555	72%	0.722	S	S	*	*	H	α-helix	trans	-75.7	-24.8	175.3	-84.4	153.9	0	0	0	113.2	M1 L2	M1-L5 PolarHBondContact O-N 3.19Å; M1-L5 VanDerWaalsContact O-N 3.15Å; L2-L5 PolarHBondContact O-N 3.36Å
6	L	49.6	Very low	43.9	Very low	133 Å²	133	133.9 Å²	133.9	70%	0.696	71%	0.707	S	S	*	*	H	α-helix	trans	-75.7	-25.8	170.9	-101.5	118.1	0	0	0	113.1	L2	L2-L6 PolarHBondContact O-N 3.48Å
7	L	46.7	Very low	45.7	Very low	132 Å²	132	128.5 Å²	128.5	69%	0.691	68%	0.676	S	S	*	*	H	α-helix	trans	-81.5	-14.9	175.3	-73	165.3	0	0	0	113.3	L4	L4-L7 PolarHBondContact O-N 3.32Å
8	L	43.8	Very low	47.9	Very low	129 Å²	129	124.7 Å²	124.7	68%	0.675	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	4.2	-179.9	-83.6	158.6	0	0	0	114.4	L4	L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 PolarHBondContact O-N 3.39Å
9	K	36.5	Very low	50.1	Low	184 Å²	184	118.1 Å²	118.1	80%	0.8	62%	0.619	S	S	*	*			trans	-105.5	12.4	-178	-101.2	-170.5	178.1	-173.1	0	116
10	I	33.7	Very low	52.3	Low	162 Å²	162	112.2 Å²	112.2	83%	0.831	59%	0.588	S	S	*	*			trans	-104.1	64.6	173.4	-49	175.6	0	0	0	108.2
11	S	30.9	Very low	54.3	Low	88 Å²	88	106.9 Å²	106.9	62%	0.615	56%	0.56	S	S	*	*			trans	-104.4	131.3	166.8	70.1	0	0	0	0	109.1
12	T	30.7	Very low	56.7	Low	121 Å²	121	97.7 Å²	97.7	74%	0.742	52%	0.515	S	S	*	.			trans	59	81.8	153.5	62.8	0	0	0	0	116.9
13	F	32.1	Very low	58.9	Low	189 Å²	189	92.9 Å²	92.9	83%	0.829	49%	0.489	S	S	*	.			trans	-108.3	89.3	144.2	-113.2	-98.1	0	0	0	105.9	D15	F13-D15 VanDerWaalsContact CD1-OD1 3.26Å; F13-D15 WeakPolarHBondContact CD1-OD1 3.49Å
14	V	45	Very low	60.7	Low	115 Å²	115	89 Å²	89	70%	0.697	47%	0.466	S	S	*	.			trans	-90.4	97.5	161.4	177.9	0	0	0	0	103.6	S16	V14-S16 PolarHBondContact O-N 3.27Å
15	D	53.3	Low	62	Low	113 Å²	113	86.7 Å²	86.7	60%	0.604	45%	0.452	S	S	*	.			trans	-64.6	118.7	176.5	-78	-41.2	0	0	0	108.5	F13 F17	F13-D15 VanDerWaalsContact CD1-OD1 3.26Å; F13-D15 WeakPolarHBondContact CD1-OD1 3.49Å; D15-F17 PolarHBondContact O-N 3.42Å
16	S	65	Low	62.9	Low	68 Å²	68	89.1 Å²	89.1	48%	0.476	47%	0.466	S	S	.	.			trans	-67.3	109.9	177.9	55.2	0	0	0	0	110.2	V14 D45	V14-S16 PolarHBondContact O-N 3.27Å; S16-D45 WeakPolarHBondContact CB-O 3.39Å
17	F	73.5	Confident	64.2	Low	42 Å²	42	83.5 Å²	83.5	18%	0.184	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-58.5	134.4	169.4	-73.1	-77.8	0	0	0	112.7	D15 H46 R47 D73 Y302	D15-F17 PolarHBondContact O-N 3.42Å; F17-H46 AromaticContact CD2-CE1 3.68Å; F17-H46 PolarHBondContact N-CE1 2.8Å; F17-H46 PolarHBondContact N-ND1 3.28Å; F17-H46 WeakPolarHBondContact O-CA 3.38Å; F17-R47 PolarHBondContact O-N 2.96Å; F17-R47 VanDerWaalsContact O-N 3.13Å; F17-D73 WeakPolarHBondContact CA-OD2 3.43Å; F17-D73 HydrophobicContact CD1-CB 3.66Å; F17-D73 HydrophobicContact CE1-CB 4.33Å; F17-Y302 HydrophobicContact CE2-CD1 4.2Å; F17-Y302 HydrophobicContact CZ-CD1 4.09Å; F17-Y302 AromaticContact CZ-CE1 3.98Å; F17-Y302 HydrophobicContact CZ-CE1 3.98Å
18	Q	86.3	Confident	66	Low	60 Å²	60	82.1 Å²	82.1	28%	0.28	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.3	164.6	-64.1	-168.3	44.8	0	0	109.4	Y70 V72 D73	Q18-Y70 PolarHBondContact OE1-O 3.44Å; Q18-V72 HydrophobicContact CB-CB 4.48Å; Q18-V72 CarbonylContact O-C 3.4Å; Q18-V72 WeakPolarHBondContact O-CB 3.39Å; Q18-D73 PolarHBondContact N-OD2 2.8Å; Q18-D73 PolarHBondContact O-N 3.21Å
19	I	89.5	Confident	68.1	Low	0 Å²	0	76 Å²	76	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.2	-178.7	-58.5	171.7	0	0	0	108.7	M37 W43 R47 L48 I49 L74 I76 L296	I19-M37 HydrophobicContact CD1-CE 4.06Å; I19-W43 HydrophobicContact CD1-CE3 3.84Å; I19-W43 HydrophobicContact CD1-CZ3 3.64Å; I19-W43 HydrophobicContact CG1-CZ3 4.47Å; I19-R47 PolarHBondContact N-O 3.2Å; I19-L48 HydrophobicContact CB-CD1 3.9Å; I19-L48 HydrophobicContact CG2-CD1 3.56Å; I19-I49 PolarHBondContact O-N 3.22Å; I19-L74 HydrophobicContact CB-CD1 4.43Å; I19-L74 HydrophobicContact CG1-CD1 4.3Å; I19-L74 HydrophobicContact CG1-CD2 4.4Å; I19-L74 HydrophobicContact CG1-CG 4.27Å; I19-L74 HydrophobicContact CG2-CD1 3.8Å; I19-I76 HydrophobicContact CG2-CB 4.4Å; I19-I76 HydrophobicContact CG2-CG2 3.44Å; I19-I76 VanDerWaalsContact CG2-CG2 3.44Å; I19-L296 HydrophobicContact CD1-CD2 3.83Å
20	G	93.3	Very high	70.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.9	171.1	0	0	0	0	0	111.2	L74 L75 I76	G20-L74 PolarHBondContact N-O 3.23Å; G20-L75 CarbonylContact O-C 3.5Å; G20-L75 VanDerWaalsContact O-CA 3.31Å; G20-L75 WeakPolarHBondContact O-CA 3.45Å; G20-I76 PolarHBondContact O-N 3.34Å
21	H	94.1	Very high	73.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124	-180	171.7	-135.7	0	0	0	111.1	E23 E29 T30 L33 L48 I49 S50 L51 I76	H21-E23 VanDerWaalsContact CE1-CB 3.46Å; H21-E23 WeakPolarHBondContact CE1-CB 3.36Å; H21-E29 IonicContact NE2-OE2 2.68Å; H21-T30 PolarHBondContact CE1-OG1 3.45Å; H21-T30 PolarHBondContact ND1-OG1 3.33Å; H21-T30 VanDerWaalsContact ND1-OG1 3.15Å; H21-L33 WeakPolarHBondContact NE2-CD1 3.46Å; H21-L48 HydrophobicContact CB-CD1 3.79Å; H21-L48 HydrophobicContact CB-CG 4.26Å; H21-I49 PolarHBondContact N-O 3.08Å; H21-S50 WeakPolarHBondContact CB-OG 3.48Å; H21-S50 WeakPolarHBondContact ND1-CB 3.4Å; H21-S50 PolarHBondContact ND1-OG 3.36Å; H21-S50 CarbonylContact O-C 3.58Å; H21-S50 VanDerWaalsContact O-CA 3.31Å; H21-S50 WeakPolarHBondContact O-CA 3.35Å; H21-L51 PolarHBondContact O-N 3.2Å; H21-I76 CarbonylContact C-O 3.57Å; H21-I76 VanDerWaalsContact CA-O 3.26Å; H21-I76 WeakPolarHBondContact CA-O 3.28Å; H21-I76 HydrophobicContact CB-CG2 3.97Å
22	L	93.5	Very high	76.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	95.3	168.9	-67.1	173.9	0	0	0	108.7	L51 S53 N62 A63 L66 I76 G77 A78 V87 Y98	L22-L51 WeakPolarHBondContact CA-O 3.35Å; L22-S53 PolarHBondContact O-OG 3.07Å; L22-N62 HydrophobicContact CD2-CB 4.11Å; L22-A63 HydrophobicContact CD1-CB 4.11Å; L22-A63 HydrophobicContact CD2-CB 4.28Å; L22-L66 HydrophobicContact CD2-CD1 3.83Å; L22-L66 HydrophobicContact CG-CD1 4.19Å; L22-I76 PolarHBondContact N-O 2.84Å; L22-G77 WeakPolarHBondContact O-CA 3.4Å; L22-A78 HydrophobicContact CB-CB 4.41Å; L22-A78 PolarHBondContact O-N 3.35Å; L22-A78 VanDerWaalsContact O-N 3.17Å; L22-V87 HydrophobicContact CD1-CB 4.47Å; L22-V87 HydrophobicContact CD1-CG1 3.82Å; L22-V87 HydrophobicContact CD1-CG2 3.93Å; L22-Y98 HydrophobicContact CD1-CE2 4.48Å
23	E	91.6	Very high	78.9	Confident	42 Å²	42	58 Å²	58	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.5	-174.1	179.7	159.2	-145.1	0	0	111	H21 E25 E29 T30 L51 P52 S53	H21-E23 VanDerWaalsContact CE1-CB 3.46Å; H21-E23 WeakPolarHBondContact CE1-CB 3.36Å; E23-E25 PolarHBondContact O-N 3.44Å; E23-E29 HydrophobicContact CG-CB 4.43Å; E23-T30 VanDerWaalsContact OE1-CB 3.31Å; E23-T30 WeakPolarHBondContact OE1-CB 3.4Å; E23-T30 PolarHBondContact OE1-N 2.76Å; E23-T30 VanDerWaalsContact OE1-N 3.13Å; E23-T30 PolarHBondContact OE1-OG1 3Å; E23-T30 PolarHBondContact OE2-OG1 3.33Å; E23-L51 PolarHBondContact N-O 3.32Å; E23-P52 CarbonylContact O-C 3.52Å; E23-S53 VanDerWaalsContact C-OG 3.26Å; E23-S53 PolarHBondContact O-N 3.47Å; E23-S53 PolarHBondContact O-OG 3.36Å
24	F	86.6	Confident	81.6	Confident	64 Å²	64	53.2 Å²	53.2	28%	0.281	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.4	172.2	-173.7	-98.5	0	0	0	109.8	N26 S27 E29 C54 A79	F24-N26 PolarHBondContact O-N 3.21Å; F24-S27 WeakPolarHBondContact O-CB 3.23Å; F24-S27 PolarHBondContact O-N 2.83Å; F24-S27 VanDerWaalsContact O-N 3.09Å; F24-S27 PolarHBondContact O-OG 2.9Å; F24-E29 WeakPolarHBondContact CB-OE1 3.37Å; F24-E29 VanDerWaalsContact CB-OE2 3.28Å; F24-E29 WeakPolarHBondContact CB-OE2 3.49Å; F24-E29 PolarHBondContact N-OE2 2.92Å; F24-C54 HydrophobicContact CD2-CB 3.69Å; F24-C54 HydrophobicContact CE2-CB 3.73Å; F24-A79 HydrophobicContact CD2-CB 4.07Å
25	E	75.7	Confident	83.8	Confident	72 Å²	72	49 Å²	49	34%	0.336	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	136.3	-176.8	-163.5	-172.1	-168.4	0	0	112.5	E23 S27 S53 H55	E23-E25 PolarHBondContact O-N 3.44Å; E25-S27 PolarHBondContact O-N 3.16Å; E25-S27 VanDerWaalsContact O-N 3.13Å; E25-S53 PolarHBondContact N-O 2.99Å; E25-H55 VanDerWaalsContact CD-CD2 3.49Å; E25-H55 IonicContact OE1-CD2 3.98Å; E25-H55 PolarHBondContact OE1-CD2 3.35Å; E25-H55 VanDerWaalsContact OE1-CD2 3.27Å; E25-H55 IonicContact OE1-CG 3.52Å; E25-H55 WeakPolarHBondContact OE2-CB 3.41Å; E25-H55 IonicContact OE2-CD2 3.78Å; E25-H55 PolarHBondContact OE2-CD2 2.8Å; E25-H55 IonicContact OE2-CG 2.81Å
26	N	69.8	Low	85.4	Confident	158 Å²	158	43.8 Å²	43.8	85%	0.845	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	22.1	-179.4	-59.7	-46.4	0	0	0	114.8	F24	F24-N26 PolarHBondContact O-N 3.21Å
27	S	77.2	Confident	86.5	Confident	14 Å²	14	41.2 Å²	41.2	10%	0.098	20%	0.198	C	C	.	.			trans	-91.5	161.4	171	77.2	0	0	0	0	111.8	F24 E25 E29	F24-S27 WeakPolarHBondContact O-CB 3.23Å; F24-S27 PolarHBondContact O-N 2.83Å; F24-S27 VanDerWaalsContact O-N 3.09Å; F24-S27 PolarHBondContact O-OG 2.9Å; E25-S27 PolarHBondContact O-N 3.16Å; E25-S27 VanDerWaalsContact O-N 3.13Å; S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 VanDerWaalsContact OG-CB 3.29Å; S27-E29 WeakPolarHBondContact OG-CB 3.42Å; S27-E29 VanDerWaalsContact OG-CD 3.32Å; S27-E29 WeakPolarHBondContact OG-CG 3.22Å; S27-E29 PolarHBondContact OG-N 3.23Å; S27-E29 PolarHBondContact OG-OE2 3.43Å
28	N	83.4	Confident	87	Confident	103 Å²	103	45.9 Å²	45.9	55%	0.551	22%	0.218	S	C	*	.			trans	-95.2	24.8	167	-75.4	-41.8	0	0	0	110.7	T30 R31 I32	N28-T30 PolarHBondContact O-N 2.97Å; N28-R31 PolarHBondContact O-N 2.9Å; N28-I32 HydrophobicContact CB-CD1 4.39Å; N28-I32 WeakPolarHBondContact O-CD1 3.34Å; N28-I32 WeakPolarHBondContact O-CG1 3.45Å; N28-I32 PolarHBondContact O-N 3.13Å; N28-I32 VanDerWaalsContact O-N 3.1Å
29	E	87.7	Confident	86.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-45.2	-172.6	-79.6	170.5	178	0	0	111.7	H21 E23 F24 S27 R31 I32 L33 A289	H21-E29 IonicContact NE2-OE2 2.68Å; E23-E29 HydrophobicContact CG-CB 4.43Å; F24-E29 WeakPolarHBondContact CB-OE1 3.37Å; F24-E29 VanDerWaalsContact CB-OE2 3.28Å; F24-E29 WeakPolarHBondContact CB-OE2 3.49Å; F24-E29 PolarHBondContact N-OE2 2.92Å; S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 VanDerWaalsContact OG-CB 3.29Å; S27-E29 WeakPolarHBondContact OG-CB 3.42Å; S27-E29 VanDerWaalsContact OG-CD 3.32Å; S27-E29 WeakPolarHBondContact OG-CG 3.22Å; S27-E29 PolarHBondContact OG-N 3.23Å; S27-E29 PolarHBondContact OG-OE2 3.43Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.41Å; E29-I32 PolarHBondContact O-N 2.94Å; E29-I32 VanDerWaalsContact O-N 3.07Å; E29-L33 WeakPolarHBondContact O-CG 3.41Å; E29-L33 PolarHBondContact O-N 3.43Å; E29-A289 HydrophobicContact CG-CB 3.91Å
30	T	89.6	Confident	85.8	Confident	24 Å²	24	47.3 Å²	47.3	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-44.5	178.7	-65.9	0	0	0	0	111.6	H21 E23 N28 I32 L33 E34 L48 S50	H21-T30 PolarHBondContact CE1-OG1 3.45Å; H21-T30 PolarHBondContact ND1-OG1 3.33Å; H21-T30 VanDerWaalsContact ND1-OG1 3.15Å; E23-T30 VanDerWaalsContact OE1-CB 3.31Å; E23-T30 WeakPolarHBondContact OE1-CB 3.4Å; E23-T30 PolarHBondContact OE1-N 2.76Å; E23-T30 VanDerWaalsContact OE1-N 3.13Å; E23-T30 PolarHBondContact OE1-OG1 3Å; E23-T30 PolarHBondContact OE2-OG1 3.33Å; N28-T30 PolarHBondContact O-N 2.97Å; T30-I32 VanDerWaalsContact C-N 3.31Å; T30-I32 PolarHBondContact O-N 2.86Å; T30-L33 PolarHBondContact O-N 3Å; T30-E34 WeakPolarHBondContact O-CG 3.38Å; T30-E34 PolarHBondContact O-N 3.31Å; T30-L48 HydrophobicContact CG2-CD2 4.36Å; T30-S50 VanDerWaalsContact OG1-CB 3.28Å; T30-S50 WeakPolarHBondContact OG1-CB 3.33Å; T30-S50 PolarHBondContact OG1-OG 2.92Å; T30-S50 VanDerWaalsContact OG1-OG 3.1Å
31	R	89.8	Confident	84.3	Confident	146 Å²	146	50.1 Å²	50.1	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-38.3	177.3	-178.8	177.4	175.6	-176.3	-2.3	112	N28 E29 I35	N28-R31 PolarHBondContact O-N 2.9Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.41Å; R31-I35 HydrophobicContact CG-CD1 4.43Å; R31-I35 VanDerWaalsContact O-CG1 3.31Å; R31-I35 WeakPolarHBondContact O-CG1 3.49Å; R31-I35 PolarHBondContact O-N 3.22Å
32	I	91	Very high	82.9	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-70.6	-43.8	179.7	-65.3	159.1	0	0	0	110.1	N28 E29 T30 E34 I35 C36 F274 L280 L286 A289 L290	N28-I32 HydrophobicContact CB-CD1 4.39Å; N28-I32 WeakPolarHBondContact O-CD1 3.34Å; N28-I32 WeakPolarHBondContact O-CG1 3.45Å; N28-I32 PolarHBondContact O-N 3.13Å; N28-I32 VanDerWaalsContact O-N 3.1Å; E29-I32 PolarHBondContact O-N 2.94Å; E29-I32 VanDerWaalsContact O-N 3.07Å; T30-I32 VanDerWaalsContact C-N 3.31Å; T30-I32 PolarHBondContact O-N 2.86Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.42Å; I32-I35 WeakPolarHBondContact O-CB 3.46Å; I32-I35 PolarHBondContact O-N 3.36Å; I32-I35 VanDerWaalsContact O-N 3.12Å; I32-C36 PolarHBondContact O-N 2.89Å; I32-C36 PolarHBondContact O-SG 3.3Å; I32-F274 HydrophobicContact CG2-CE1 4.35Å; I32-F274 HydrophobicContact CG2-CZ 4.49Å; I32-L280 HydrophobicContact CG1-CD1 4.19Å; I32-L286 HydrophobicContact CD1-CD1 3.6Å; I32-L286 HydrophobicContact CG1-CD1 4.19Å; I32-L286 HydrophobicContact CG2-CD1 4.39Å; I32-A289 HydrophobicContact CB-CB 3.96Å; I32-A289 HydrophobicContact CD1-CB 3.53Å; I32-A289 HydrophobicContact CG1-CB 4.35Å; I32-A289 HydrophobicContact CG2-CB 3.72Å; I32-L290 HydrophobicContact CG2-CD2 4.3Å
33	L	89.9	Confident	81.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-42.3	175.2	-69.9	172.4	0	0	0	111.9	H21 E29 T30 I35 C36 M37 L48 L292 L296	H21-L33 WeakPolarHBondContact NE2-CD1 3.46Å; E29-L33 WeakPolarHBondContact O-CG 3.41Å; E29-L33 PolarHBondContact O-N 3.43Å; T30-L33 PolarHBondContact O-N 3Å; L33-I35 VanDerWaalsContact C-N 3.3Å; L33-I35 PolarHBondContact O-N 3.15Å; L33-C36 PolarHBondContact O-N 3.03Å; L33-C36 VanDerWaalsContact O-N 3.17Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 VanDerWaalsContact O-CG 3.3Å; L33-M37 WeakPolarHBondContact O-CG 3.16Å; L33-M37 PolarHBondContact O-N 2.84Å; L33-L48 HydrophobicContact CB-CD2 3.98Å; L33-L48 HydrophobicContact CD1-CD2 4.46Å; L33-L292 HydrophobicContact CD1-CD1 4.45Å; L33-L292 HydrophobicContact CD2-CB 3.66Å; L33-L296 HydrophobicContact CB-CD1 4.38Å; L33-L296 HydrophobicContact CD2-CD1 3.65Å; L33-L296 HydrophobicContact CD2-CG 4.34Å
34	E	88.7	Confident	80	Confident	87 Å²	87	61.5 Å²	61.5	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-37.9	174	-75.9	-176.4	-176.6	0	0	112.9	T30 I32 K38 L48	T30-E34 WeakPolarHBondContact O-CG 3.38Å; T30-E34 PolarHBondContact O-N 3.31Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.42Å; E34-K38 WeakPolarHBondContact O-CB 3.44Å; E34-K38 WeakPolarHBondContact O-CD 3.41Å; E34-K38 VanDerWaalsContact O-CG 3.23Å; E34-K38 WeakPolarHBondContact O-CG 3.44Å; E34-K38 PolarHBondContact O-N 3.26Å; E34-K38 IonicContact OE2-NZ 2.66Å; E34-L48 HydrophobicContact CG-CD2 4.5Å
35	I	89.4	Confident	79	Confident	28 Å²	28	64.6 Å²	64.6	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-46.3	174.5	-69.8	164.5	0	0	0	109.9	R31 I32 L33 K38 N39 F274 Y278	R31-I35 HydrophobicContact CG-CD1 4.43Å; R31-I35 VanDerWaalsContact O-CG1 3.31Å; R31-I35 WeakPolarHBondContact O-CG1 3.49Å; R31-I35 PolarHBondContact O-N 3.22Å; I32-I35 WeakPolarHBondContact O-CB 3.46Å; I32-I35 PolarHBondContact O-N 3.36Å; I32-I35 VanDerWaalsContact O-N 3.12Å; L33-I35 VanDerWaalsContact C-N 3.3Å; L33-I35 PolarHBondContact O-N 3.15Å; I35-K38 PolarHBondContact O-N 2.75Å; I35-N39 VanDerWaalsContact O-CG 3.31Å; I35-N39 PolarHBondContact O-N 3.42Å; I35-N39 VanDerWaalsContact O-N 3.11Å; I35-N39 PolarHBondContact O-ND2 2.91Å; I35-F274 HydrophobicContact CG2-CZ 4.17Å; I35-Y278 HydrophobicContact CD1-CD1 4.38Å; I35-Y278 HydrophobicContact CG2-CD1 3.88Å; I35-Y278 HydrophobicContact CG2-CD2 4.4Å; I35-Y278 HydrophobicContact CG2-CE1 3.51Å; I35-Y278 HydrophobicContact CG2-CE2 4.08Å; I35-Y278 HydrophobicContact CG2-CG 4.32Å
36	C	88.8	Confident	79	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-43.5	178.7	-62.4	0	0	0	0	112.2	I32 L33 K38 N39 A40 C293 Y330	I32-C36 PolarHBondContact O-N 2.89Å; I32-C36 PolarHBondContact O-SG 3.3Å; L33-C36 PolarHBondContact O-N 3.03Å; L33-C36 VanDerWaalsContact O-N 3.17Å; C36-K38 PolarHBondContact O-N 3.39Å; C36-N39 PolarHBondContact O-N 3.01Å; C36-A40 PolarHBondContact O-N 2.87Å; C36-C293 HydrophobicContact CB-CB 3.61Å; C36-C293 WeakPolarHBondContact CB-SG 3.23Å; C36-C293 WeakPolarHBondContact SG-CB 3.33Å; C36-C293 CovalentContact SG-SG 2.03Å; C36-C293 PolarHBondContact SG-SG 2.99Å; C36-Y330 HydrophobicContact CB-CE2 4.1Å; C36-Y330 PolarHBondContact O-OH 3.16Å
37	M	86.4	Confident	79.7	Confident	15 Å²	15	62.4 Å²	62.4	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-38.1	175.4	-70.6	179.1	74.2	0	0	112.2	I19 L33 N39 A40 W43 H46 L48 L296	I19-M37 HydrophobicContact CD1-CE 4.06Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 VanDerWaalsContact O-CG 3.3Å; L33-M37 WeakPolarHBondContact O-CG 3.16Å; L33-M37 PolarHBondContact O-N 2.84Å; M37-N39 VanDerWaalsContact C-N 3.34Å; M37-N39 PolarHBondContact O-N 2.91Å; M37-A40 PolarHBondContact O-N 3.33Å; M37-A40 VanDerWaalsContact O-O 3.09Å; M37-W43 HydrophobicContact CB-CB 4.2Å; M37-W43 HydrophobicContact CE-CB 4.33Å; M37-W43 HydrophobicContact CE-CE3 4.29Å; M37-W43 HydrophobicContact CG-CB 4.49Å; M37-H46 HydrophobicContact CE-CB 4.02Å; M37-L48 HydrophobicContact SD-CB 4.07Å; M37-L48 HydrophobicContact SD-CD1 4.39Å; M37-L48 HydrophobicContact SD-CD2 4.23Å; M37-L48 HydrophobicContact SD-CG 4.47Å; M37-L296 HydrophobicContact CG-CD1 3.63Å; M37-L296 HydrophobicContact SD-CD1 4.25Å
38	K	84	Confident	80.3	Confident	139 Å²	139	63.3 Å²	63.3	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-67.3	-34.5	176.7	-77.2	168	-176.3	162.4	0	112.7	E34 I35 C36	E34-K38 WeakPolarHBondContact O-CB 3.44Å; E34-K38 WeakPolarHBondContact O-CD 3.41Å; E34-K38 VanDerWaalsContact O-CG 3.23Å; E34-K38 WeakPolarHBondContact O-CG 3.44Å; E34-K38 PolarHBondContact O-N 3.26Å; E34-K38 IonicContact OE2-NZ 2.66Å; I35-K38 PolarHBondContact O-N 2.75Å; C36-K38 PolarHBondContact O-N 3.39Å
39	N	80.7	Confident	80.8	Confident	80 Å²	80	59.1 Å²	59.1	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-37.3	177.7	-70.4	-24.3	0	0	0	112.3	I35 C36 M37 G41 Y278	I35-N39 VanDerWaalsContact O-CG 3.31Å; I35-N39 PolarHBondContact O-N 3.42Å; I35-N39 VanDerWaalsContact O-N 3.11Å; I35-N39 PolarHBondContact O-ND2 2.91Å; C36-N39 PolarHBondContact O-N 3.01Å; M37-N39 VanDerWaalsContact C-N 3.34Å; M37-N39 PolarHBondContact O-N 2.91Å; N39-G41 PolarHBondContact O-N 3.13Å; N39-G41 VanDerWaalsContact O-N 3.08Å; N39-Y278 PolarHBondContact ND2-OH 2.8Å; N39-Y278 PolarHBondContact OD1-OH 2.79Å
40	A	71	Confident	81	Confident	11 Å²	11	60.8 Å²	60.8	9%	0.091	30%	0.299	C	S	.	.	S	Bend	trans	-78	91.5	177.2	0	0	0	0	0	109	C36 M37 S42 W43	C36-A40 PolarHBondContact O-N 2.87Å; M37-A40 PolarHBondContact O-N 3.33Å; M37-A40 VanDerWaalsContact O-O 3.09Å; A40-S42 PolarHBondContact O-N 3.4Å; A40-W43 VanDerWaalsContact CB-CD1 3.45Å; A40-W43 HydrophobicContact CB-CG 4.43Å; A40-W43 PolarHBondContact O-N 3.12Å
41	G	61.6	Low	81.2	Confident	59 Å²	59	60.8 Å²	60.8	61%	0.608	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-52.1	-16.6	-169	0	0	0	0	0	117.1	N39	N39-G41 PolarHBondContact O-N 3.13Å; N39-G41 VanDerWaalsContact O-N 3.08Å
42	S	65.2	Low	81.2	Confident	67 Å²	67	56.9 Å²	56.9	47%	0.469	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-77.3	-16	175	-164.4	0	0	0	0	114.5	A40	A40-S42 PolarHBondContact O-N 3.4Å
43	W	65.1	Low	81.2	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.038	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-97.6	6.1	-169.6	-65.3	82	0	0	0	116.1	I19 M37 A40 D45 H46 L299 N300	I19-W43 HydrophobicContact CD1-CE3 3.84Å; I19-W43 HydrophobicContact CD1-CZ3 3.64Å; I19-W43 HydrophobicContact CG1-CZ3 4.47Å; M37-W43 HydrophobicContact CB-CB 4.2Å; M37-W43 HydrophobicContact CE-CB 4.33Å; M37-W43 HydrophobicContact CE-CE3 4.29Å; M37-W43 HydrophobicContact CG-CB 4.49Å; A40-W43 VanDerWaalsContact CB-CD1 3.45Å; A40-W43 HydrophobicContact CB-CG 4.43Å; A40-W43 PolarHBondContact O-N 3.12Å; W43-D45 PolarHBondContact O-N 3.36Å; W43-D45 VanDerWaalsContact O-N 3.08Å; W43-H46 AromaticContact CD2-CD2 3.61Å; W43-H46 HydrophobicContact CE3-CB 3.73Å; W43-H46 AromaticContact CE3-CD2 3.07Å; W43-H46 AromaticContact CE3-CG 3.6Å; W43-H46 HydrophobicContact CZ3-CB 4.27Å; W43-H46 AromaticContact CZ3-CD2 3.45Å; W43-H46 VanDerWaalsContact CZ3-CD2 3.45Å; W43-H46 WeakPolarHBondContact CZ3-CD2 3.32Å; W43-H46 AromaticContact CZ3-CG 3.9Å; W43-H46 PolarHBondContact O-N 3.48Å; W43-H46 VanDerWaalsContact O-N 3.13Å; W43-L299 HydrophobicContact CH2-CB 3.39Å; W43-L299 HydrophobicContact CH2-CD1 3.81Å; W43-L299 HydrophobicContact CH2-CG 4.26Å; W43-L299 HydrophobicContact CZ2-CB 3.27Å; W43-L299 HydrophobicContact CZ2-CD1 4.38Å; W43-L299 HydrophobicContact CZ2-CG 4.47Å; W43-N300 PolarHBondContact NE1-OD1 3.13Å
44	R	59.4	Low	81.1	Confident	204 Å²	204	57.9 Å²	57.9	77%	0.77	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26	-175	-73	-172.6	179.5	177.8	1.8	114
45	D	65.4	Low	81	Confident	128 Å²	128	57.6 Å²	57.6	68%	0.684	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	0.7	-176	-58.1	-30.9	0	0	0	113.2	S16 W43	S16-D45 WeakPolarHBondContact CB-O 3.39Å; W43-D45 PolarHBondContact O-N 3.36Å; W43-D45 VanDerWaalsContact O-N 3.08Å
46	H	74.8	Confident	80.8	Confident	27 Å²	27	63.1 Å²	63.1	13%	0.125	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-91.5	141.2	-179.1	-63.9	-47.4	0	0	0	112	F17 M37 W43	F17-H46 AromaticContact CD2-CE1 3.68Å; F17-H46 PolarHBondContact N-CE1 2.8Å; F17-H46 PolarHBondContact N-ND1 3.28Å; F17-H46 WeakPolarHBondContact O-CA 3.38Å; M37-H46 HydrophobicContact CE-CB 4.02Å; W43-H46 AromaticContact CD2-CD2 3.61Å; W43-H46 HydrophobicContact CE3-CB 3.73Å; W43-H46 AromaticContact CE3-CD2 3.07Å; W43-H46 AromaticContact CE3-CG 3.6Å; W43-H46 HydrophobicContact CZ3-CB 4.27Å; W43-H46 AromaticContact CZ3-CD2 3.45Å; W43-H46 VanDerWaalsContact CZ3-CD2 3.45Å; W43-H46 WeakPolarHBondContact CZ3-CD2 3.32Å; W43-H46 AromaticContact CZ3-CG 3.9Å; W43-H46 PolarHBondContact O-N 3.48Å; W43-H46 VanDerWaalsContact O-N 3.13Å
47	R	85.5	Confident	80.6	Confident	157 Å²	157	68.3 Å²	68.3	59%	0.592	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.9	-176.4	-172.6	179.7	-178.5	-179.9	0.1	110.7	F17 I19 I49	F17-R47 PolarHBondContact O-N 2.96Å; F17-R47 VanDerWaalsContact O-N 3.13Å; I19-R47 PolarHBondContact N-O 3.2Å; R47-I49 HydrophobicContact CG-CG1 4.17Å
48	L	89.3	Confident	80.8	Confident	34 Å²	34	69 Å²	69	18%	0.178	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.2	170.4	-168.8	68.8	0	0	0	109.6	I19 H21 T30 L33 E34 M37	I19-L48 HydrophobicContact CB-CD1 3.9Å; I19-L48 HydrophobicContact CG2-CD1 3.56Å; H21-L48 HydrophobicContact CB-CD1 3.79Å; H21-L48 HydrophobicContact CB-CG 4.26Å; T30-L48 HydrophobicContact CG2-CD2 4.36Å; L33-L48 HydrophobicContact CB-CD2 3.98Å; L33-L48 HydrophobicContact CD1-CD2 4.46Å; E34-L48 HydrophobicContact CG-CD2 4.5Å; M37-L48 HydrophobicContact SD-CB 4.07Å; M37-L48 HydrophobicContact SD-CD1 4.39Å; M37-L48 HydrophobicContact SD-CD2 4.23Å; M37-L48 HydrophobicContact SD-CG 4.47Å
49	I	92.7	Very high	81	Confident	15 Å²	15	62.4 Å²	62.4	8%	0.077	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.2	175.3	-57	176.7	0	0	0	107.5	I19 H21 R47 L66 Y70 V72	I19-I49 PolarHBondContact O-N 3.22Å; H21-I49 PolarHBondContact N-O 3.08Å; R47-I49 HydrophobicContact CG-CG1 4.17Å; I49-L66 HydrophobicContact CB-CD2 4.17Å; I49-L66 HydrophobicContact CG2-CD2 3.79Å; I49-L66 WeakPolarHBondContact O-CD2 3.48Å; I49-Y70 HydrophobicContact CD1-CD1 3.91Å; I49-Y70 HydrophobicContact CD1-CG 4.18Å; I49-Y70 HydrophobicContact CG2-CD1 3.92Å; I49-Y70 HydrophobicContact CG2-CD2 4.33Å; I49-Y70 HydrophobicContact CG2-CE1 4.13Å; I49-Y70 HydrophobicContact CG2-CG 4.01Å; I49-V72 HydrophobicContact CD1-CG1 4.3Å
50	S	92.8	Very high	81.6	Confident	35 Å²	35	60.8 Å²	60.8	25%	0.245	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.7	-175.4	-52.4	0	0	0	0	111.4	H21 T30	H21-S50 WeakPolarHBondContact CB-OG 3.48Å; H21-S50 WeakPolarHBondContact ND1-CB 3.4Å; H21-S50 PolarHBondContact ND1-OG 3.36Å; H21-S50 CarbonylContact O-C 3.58Å; H21-S50 VanDerWaalsContact O-CA 3.31Å; H21-S50 WeakPolarHBondContact O-CA 3.35Å; T30-S50 VanDerWaalsContact OG1-CB 3.28Å; T30-S50 WeakPolarHBondContact OG1-CB 3.33Å; T30-S50 PolarHBondContact OG1-OG 2.92Å; T30-S50 VanDerWaalsContact OG1-OG 3.1Å
51	L	92.9	Very high	82.6	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.131	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.2	171.4	-63.6	-176.5	0	0	0	109.2	H21 L22 E23 N62 N65 L66 Y70	H21-L51 PolarHBondContact O-N 3.2Å; L22-L51 WeakPolarHBondContact CA-O 3.35Å; E23-L51 PolarHBondContact N-O 3.32Å; L51-N62 HydrophobicContact CB-CB 3.73Å; L51-N62 HydrophobicContact CD1-CB 3.9Å; L51-N62 HydrophobicContact CG-CB 4.49Å; L51-N65 HydrophobicContact CD1-CB 3.92Å; L51-L66 HydrophobicContact CD1-CD2 3.91Å; L51-L66 HydrophobicContact CD1-CG 3.79Å; L51-L66 HydrophobicContact CG-CD2 3.96Å; L51-L66 HydrophobicContact CG-CG 4.21Å; L51-Y70 HydrophobicContact CD1-CD2 4.41Å; L51-Y70 HydrophobicContact CD1-CE2 3.96Å; L51-Y70 HydrophobicContact CD2-CE2 4.36Å
52	P	91.5	Very high	84.1	Confident	64 Å²	64	64.5 Å²	64.5	42%	0.416	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	151	-176.5	26.9	-33.8	0	0	0	112.6	E23 N62	E23-P52 CarbonylContact O-C 3.52Å; P52-N62 PolarHBondContact O-ND2 2.88Å
53	S	90.8	Very high	85.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	172.1	177.6	66.9	0	0	0	0	110.8	L22 E23 E25 H55 N58	L22-S53 PolarHBondContact O-OG 3.07Å; E23-S53 VanDerWaalsContact C-OG 3.26Å; E23-S53 PolarHBondContact O-N 3.47Å; E23-S53 PolarHBondContact O-OG 3.36Å; E25-S53 PolarHBondContact N-O 2.99Å; S53-H55 VanDerWaalsContact C-N 3.3Å; S53-H55 PolarHBondContact O-N 3.49Å; S53-N58 VanDerWaalsContact CA-OD1 3.29Å; S53-N58 WeakPolarHBondContact CA-OD1 3.33Å
54	C	87.1	Confident	86.9	Confident	29 Å²	29	62.1 Å²	62.1	20%	0.196	30%	0.303	C	S	.	.	S	Bend	trans	62.9	29.2	-179.2	-55.1	0	0	0	0	114.9	F24 N58 C80 E83	F24-C54 HydrophobicContact CD2-CB 3.69Å; F24-C54 HydrophobicContact CE2-CB 3.73Å; C54-N58 PolarHBondContact N-OD1 2.99Å; C54-C80 WeakPolarHBondContact CA-SG 3.42Å; C54-C80 HydrophobicContact CB-CB 3.8Å; C54-C80 WeakPolarHBondContact CB-SG 3.4Å; C54-C80 WeakPolarHBondContact SG-CB 3.49Å; C54-C80 PolarHBondContact SG-N 3.36Å; C54-C80 VanDerWaalsContact SG-N 3.38Å; C54-C80 CovalentContact SG-SG 2.04Å; C54-C80 PolarHBondContact SG-SG 3.01Å; C54-E83 VanDerWaalsContact CA-OE1 3.26Å; C54-E83 WeakPolarHBondContact CA-OE1 3.34Å; C54-E83 VanDerWaalsContact N-CD 3.29Å; C54-E83 PolarHBondContact N-OE1 2.83Å; C54-E83 VanDerWaalsContact N-OE1 3.16Å; C54-E83 PolarHBondContact N-OE2 2.93Å
55	H	86.1	Confident	88.5	Confident	81 Å²	81	54.7 Å²	54.7	38%	0.375	28%	0.279	S	S	.	.	S	Bend	trans	-131.7	108.2	172	177.8	-82.5	0	0	0	110.8	E25 S53 F57 N58	E25-H55 VanDerWaalsContact CD-CD2 3.49Å; E25-H55 IonicContact OE1-CD2 3.98Å; E25-H55 PolarHBondContact OE1-CD2 3.35Å; E25-H55 VanDerWaalsContact OE1-CD2 3.27Å; E25-H55 IonicContact OE1-CG 3.52Å; E25-H55 WeakPolarHBondContact OE2-CB 3.41Å; E25-H55 IonicContact OE2-CD2 3.78Å; E25-H55 PolarHBondContact OE2-CD2 2.8Å; E25-H55 IonicContact OE2-CG 2.81Å; S53-H55 VanDerWaalsContact C-N 3.3Å; S53-H55 PolarHBondContact O-N 3.49Å; H55-F57 VanDerWaalsContact C-N 3.29Å; H55-F57 PolarHBondContact O-N 3.18Å; H55-N58 PolarHBondContact N-OD1 3.12Å; H55-N58 WeakPolarHBondContact O-CB 3.42Å; H55-N58 PolarHBondContact O-N 3.33Å; H55-N58 VanDerWaalsContact O-N 3.11Å; H55-N58 PolarHBondContact O-OD1 3.4Å
56	N	85.1	Confident	89.9	Confident	143 Å²	143	48.6 Å²	48.6	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.5	-177.9	-69.1	-23.5	0	0	0	113.7	N58	N56-N58 PolarHBondContact O-N 3.43Å; N56-N58 VanDerWaalsContact O-N 3.17Å
57	F	84.5	Confident	90.8	Very high	111 Å²	111	48 Å²	48	49%	0.487	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	16.6	-179.4	-67.9	-92.4	0	0	0	114.9	H55 G59 L60 E82 E83	H55-F57 VanDerWaalsContact C-N 3.29Å; H55-F57 PolarHBondContact O-N 3.18Å; F57-G59 PolarHBondContact O-N 3.24Å; F57-L60 HydrophobicContact CB-CD1 4.37Å; F57-L60 HydrophobicContact CD1-CD1 4.14Å; F57-L60 PolarHBondContact O-N 3.32Å; F57-E82 HydrophobicContact CE1-CB 3.93Å; F57-E82 HydrophobicContact CZ-CB 4.27Å; F57-E82 WeakPolarHBondContact CZ-OE2 3.46Å; F57-E83 WeakPolarHBondContact CA-OE1 3.27Å; F57-E83 HydrophobicContact CD1-CG 4.11Å; F57-E83 PolarHBondContact N-OE1 3.44Å
58	N	90.8	Very high	91.1	Very high	30 Å²	30	48.4 Å²	48.4	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-21.4	-179.7	68.4	-15.9	0	0	0	113.5	S53 C54 H55 N56 L60 E61 N62	S53-N58 VanDerWaalsContact CA-OD1 3.29Å; S53-N58 WeakPolarHBondContact CA-OD1 3.33Å; C54-N58 PolarHBondContact N-OD1 2.99Å; H55-N58 PolarHBondContact N-OD1 3.12Å; H55-N58 WeakPolarHBondContact O-CB 3.42Å; H55-N58 PolarHBondContact O-N 3.33Å; H55-N58 VanDerWaalsContact O-N 3.11Å; H55-N58 PolarHBondContact O-OD1 3.4Å; N56-N58 PolarHBondContact O-N 3.43Å; N56-N58 VanDerWaalsContact O-N 3.17Å; N58-L60 PolarHBondContact O-N 3.12Å; N58-E61 PolarHBondContact O-N 3.2Å; N58-N62 WeakPolarHBondContact O-CB 3.46Å; N58-N62 PolarHBondContact O-N 3.03Å; N58-N62 PolarHBondContact O-ND2 3.16Å
59	G	89.4	Confident	91.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-28.7	178.4	0	0	0	0	0	113.1	F57 A63 E83	F57-G59 PolarHBondContact O-N 3.24Å; G59-A63 WeakPolarHBondContact O-CB 3.35Å; G59-A63 PolarHBondContact O-N 3.42Å; G59-E83 VanDerWaalsContact CA-OE2 3.24Å; G59-E83 WeakPolarHBondContact CA-OE2 3.37Å; G59-E83 PolarHBondContact N-OE2 2.94Å
60	L	92	Very high	91.3	Very high	46 Å²	46	56.1 Å²	56.1	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-69.4	-46.3	175.7	-73.6	72.2	0	0	0	111.5	F57 N58 N62 A63 A64 E83 T86	F57-L60 HydrophobicContact CB-CD1 4.37Å; F57-L60 HydrophobicContact CD1-CD1 4.14Å; F57-L60 PolarHBondContact O-N 3.32Å; N58-L60 PolarHBondContact O-N 3.12Å; L60-N62 VanDerWaalsContact C-N 3.33Å; L60-A63 PolarHBondContact O-N 3.28Å; L60-A64 PolarHBondContact O-N 3.46Å; L60-A64 VanDerWaalsContact O-N 3.08Å; L60-E83 HydrophobicContact CD1-CB 3.79Å; L60-E83 HydrophobicContact CD1-CG 3.73Å; L60-T86 HydrophobicContact CD2-CG2 3.39Å; L60-T86 HydrophobicContact CG-CG2 3.99Å
61	E	92.4	Very high	91.1	Very high	128 Å²	128	57.9 Å²	57.9	60%	0.598	29%	0.291	S	S	*	.	H	α-helix	trans	-60.9	-46.1	176	-178	-176.4	176.1	0	0	110.1	N58 A63 A64 N65	N58-E61 PolarHBondContact O-N 3.2Å; E61-A63 PolarHBondContact O-N 3.27Å; E61-A64 WeakPolarHBondContact O-CB 3.33Å; E61-A64 PolarHBondContact O-N 3.09Å; E61-A64 VanDerWaalsContact O-N 3.13Å; E61-N65 PolarHBondContact O-N 3.19Å; E61-N65 PolarHBondContact O-ND2 2.7Å
62	N	94.2	Very high	91	Very high	21 Å²	21	56.7 Å²	56.7	11%	0.112	29%	0.285	C	S	.	.	H	α-helix	trans	-69.2	-33.4	179.6	-75.8	-30.8	0	0	0	112.8	L22 L51 P52 N58 L60 A64 N65 L66	L22-N62 HydrophobicContact CD2-CB 4.11Å; L51-N62 HydrophobicContact CB-CB 3.73Å; L51-N62 HydrophobicContact CD1-CB 3.9Å; L51-N62 HydrophobicContact CG-CB 4.49Å; P52-N62 PolarHBondContact O-ND2 2.88Å; N58-N62 WeakPolarHBondContact O-CB 3.46Å; N58-N62 PolarHBondContact O-N 3.03Å; N58-N62 PolarHBondContact O-ND2 3.16Å; L60-N62 VanDerWaalsContact C-N 3.33Å; N62-A64 VanDerWaalsContact C-N 3.3Å; N62-A64 PolarHBondContact O-N 3.3Å; N62-N65 PolarHBondContact O-N 3.36Å; N62-N65 PolarHBondContact OD1-ND2 3.26Å; N62-L66 WeakPolarHBondContact O-CB 3.44Å; N62-L66 VanDerWaalsContact O-CG 3.27Å; N62-L66 WeakPolarHBondContact O-CG 3.41Å; N62-L66 PolarHBondContact O-N 3.04Å
63	A	93.8	Very high	90.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-40.5	169.9	0	0	0	0	0	111.4	L22 G59 L60 E61 L66 N67 V87 W94	L22-A63 HydrophobicContact CD1-CB 4.11Å; L22-A63 HydrophobicContact CD2-CB 4.28Å; G59-A63 WeakPolarHBondContact O-CB 3.35Å; G59-A63 PolarHBondContact O-N 3.42Å; L60-A63 PolarHBondContact O-N 3.28Å; E61-A63 PolarHBondContact O-N 3.27Å; A63-L66 PolarHBondContact O-N 3.06Å; A63-N67 WeakPolarHBondContact O-CB 3.46Å; A63-N67 PolarHBondContact O-N 2.75Å; A63-V87 HydrophobicContact CB-CG1 4.2Å; A63-V87 HydrophobicContact CB-CG2 4.01Å; A63-W94 HydrophobicContact CB-CH2 4.2Å; A63-W94 HydrophobicContact CB-CZ3 4.15Å; A63-W94 WeakPolarHBondContact O-CH2 3.49Å
64	A	93.7	Very high	90.7	Very high	26 Å²	26	56.4 Å²	56.4	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-40.4	175	0	0	0	0	0	112.1	L60 E61 N62 N67 Y68 W94	L60-A64 PolarHBondContact O-N 3.46Å; L60-A64 VanDerWaalsContact O-N 3.08Å; E61-A64 WeakPolarHBondContact O-CB 3.33Å; E61-A64 PolarHBondContact O-N 3.09Å; E61-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 VanDerWaalsContact C-N 3.3Å; N62-A64 PolarHBondContact O-N 3.3Å; A64-N67 PolarHBondContact O-N 2.91Å; A64-Y68 HydrophobicContact CB-CD2 4.23Å; A64-Y68 HydrophobicContact CB-CE2 4.42Å; A64-Y68 VanDerWaalsContact O-CD2 3.25Å; A64-Y68 WeakPolarHBondContact O-CD2 3.5Å; A64-Y68 PolarHBondContact O-N 3.22Å; A64-W94 HydrophobicContact CB-CH2 4.17Å; A64-W94 HydrophobicContact CB-CZ2 4.21Å
65	N	94.7	Very high	91	Very high	48 Å²	48	55 Å²	55	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-46.3	174.5	-69.8	-24.8	0	0	0	111.3	L51 E61 N62 N67 Q69 Y70	L51-N65 HydrophobicContact CD1-CB 3.92Å; E61-N65 PolarHBondContact O-N 3.19Å; E61-N65 PolarHBondContact O-ND2 2.7Å; N62-N65 PolarHBondContact O-N 3.36Å; N62-N65 PolarHBondContact OD1-ND2 3.26Å; N65-N67 VanDerWaalsContact C-N 3.26Å; N65-N67 PolarHBondContact O-N 3.49Å; N65-Q69 WeakPolarHBondContact O-CA 3.5Å; N65-Q69 VanDerWaalsContact O-CB 3.25Å; N65-Q69 WeakPolarHBondContact O-CB 3.47Å; N65-Q69 PolarHBondContact O-N 2.9Å; N65-Y70 WeakPolarHBondContact O-CD2 3.46Å; N65-Y70 PolarHBondContact O-N 3.46Å; N65-Y70 VanDerWaalsContact O-N 3.12Å
66	L	94.4	Very high	91.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-43.9	174	-72.2	171.4	0	0	0	111.2	L22 I49 L51 N62 A63 Y70 S71 V72 L75	L22-L66 HydrophobicContact CD2-CD1 3.83Å; L22-L66 HydrophobicContact CG-CD1 4.19Å; I49-L66 HydrophobicContact CB-CD2 4.17Å; I49-L66 HydrophobicContact CG2-CD2 3.79Å; I49-L66 WeakPolarHBondContact O-CD2 3.48Å; L51-L66 HydrophobicContact CD1-CD2 3.91Å; L51-L66 HydrophobicContact CD1-CG 3.79Å; L51-L66 HydrophobicContact CG-CD2 3.96Å; L51-L66 HydrophobicContact CG-CG 4.21Å; N62-L66 WeakPolarHBondContact O-CB 3.44Å; N62-L66 VanDerWaalsContact O-CG 3.27Å; N62-L66 WeakPolarHBondContact O-CG 3.41Å; N62-L66 PolarHBondContact O-N 3.04Å; A63-L66 PolarHBondContact O-N 3.06Å; L66-Y70 HydrophobicContact CD2-CD2 4.21Å; L66-S71 PolarHBondContact O-N 2.97Å; L66-S71 VanDerWaalsContact O-N 3.14Å; L66-V72 HydrophobicContact CB-CG1 4.3Å; L66-V72 HydrophobicContact CB-CG2 4Å; L66-V72 HydrophobicContact CD2-CG1 4.13Å; L66-V72 WeakPolarHBondContact O-CG2 3.4Å; L66-V72 PolarHBondContact O-N 3.09Å; L66-L75 HydrophobicContact CB-CD2 3.89Å; L66-L75 HydrophobicContact CD1-CD2 3.85Å
67	N	92.8	Very high	91.6	Very high	16 Å²	16	44.4 Å²	44.4	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-70.8	-51.2	-179.5	-178	66.9	0	0	0	113.9	A63 A64 N65 S71 W94 K96	A63-N67 WeakPolarHBondContact O-CB 3.46Å; A63-N67 PolarHBondContact O-N 2.75Å; A64-N67 PolarHBondContact O-N 2.91Å; N65-N67 VanDerWaalsContact C-N 3.26Å; N65-N67 PolarHBondContact O-N 3.49Å; N67-S71 WeakPolarHBondContact O-CA 3.46Å; N67-W94 HydrophobicContact CB-CD2 3.85Å; N67-W94 HydrophobicContact CB-CE3 3.78Å; N67-W94 HydrophobicContact CB-CG 4.48Å; N67-W94 HydrophobicContact CB-CH2 4.08Å; N67-W94 HydrophobicContact CB-CZ2 4.13Å; N67-W94 HydrophobicContact CB-CZ3 3.9Å; N67-W94 VanDerWaalsContact CG-CD2 3.45Å; N67-W94 PolarHBondContact ND2-NE1 3.32Å; N67-K96 WeakPolarHBondContact OD1-CD 3.34Å; N67-K96 VanDerWaalsContact OD1-CE 3.26Å; N67-K96 WeakPolarHBondContact OD1-CE 3.37Å; N67-K96 PolarHBondContact OD1-NZ 3.1Å
68	Y	93.1	Very high	90.9	Very high	164 Å²	164	39.1 Å²	39.1	64%	0.643	19%	0.193	S	C	*	.	H	α-helix	trans	-92.8	-36.6	-169.6	-65.4	-65.5	0	0	0	113.9	A64 W94	A64-Y68 HydrophobicContact CB-CD2 4.23Å; A64-Y68 HydrophobicContact CB-CE2 4.42Å; A64-Y68 VanDerWaalsContact O-CD2 3.25Å; A64-Y68 WeakPolarHBondContact O-CD2 3.5Å; A64-Y68 PolarHBondContact O-N 3.22Å; Y68-W94 AromaticContact CE2-CZ2 3.99Å; Y68-W94 HydrophobicContact CE2-CZ2 3.99Å; Y68-W94 AromaticContact CE2-NE1 3.86Å; Y68-W94 AromaticContact CZ-NE1 3.51Å; Y68-W94 PolarHBondContact OH-NE1 3.43Å; Y68-W94 VanDerWaalsContact OH-NE1 3.1Å
69	Q	93.6	Very high	89.6	Confident	128 Å²	128	38.4 Å²	38.4	60%	0.598	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-45.7	-177.4	-176.3	179.4	-5.3	0	0	111.6	N65	N65-Q69 WeakPolarHBondContact O-CA 3.5Å; N65-Q69 VanDerWaalsContact O-CB 3.25Å; N65-Q69 WeakPolarHBondContact O-CB 3.47Å; N65-Q69 PolarHBondContact O-N 2.9Å
70	Y	92.2	Very high	89.2	Confident	83 Å²	83	39.9 Å²	39.9	33%	0.325	20%	0.202	S	C	.	.	S	Bend	trans	-90.7	-15.8	-177.9	-63.8	-78.2	0	0	0	113.4	Q18 I49 L51 N65 L66 V72	Q18-Y70 PolarHBondContact OE1-O 3.44Å; I49-Y70 HydrophobicContact CD1-CD1 3.91Å; I49-Y70 HydrophobicContact CD1-CG 4.18Å; I49-Y70 HydrophobicContact CG2-CD1 3.92Å; I49-Y70 HydrophobicContact CG2-CD2 4.33Å; I49-Y70 HydrophobicContact CG2-CE1 4.13Å; I49-Y70 HydrophobicContact CG2-CG 4.01Å; L51-Y70 HydrophobicContact CD1-CD2 4.41Å; L51-Y70 HydrophobicContact CD1-CE2 3.96Å; L51-Y70 HydrophobicContact CD2-CE2 4.36Å; N65-Y70 WeakPolarHBondContact O-CD2 3.46Å; N65-Y70 PolarHBondContact O-N 3.46Å; N65-Y70 VanDerWaalsContact O-N 3.12Å; L66-Y70 HydrophobicContact CD2-CD2 4.21Å; Y70-V72 VanDerWaalsContact C-N 3.3Å; Y70-V72 PolarHBondContact O-N 2.8Å
71	S	88.5	Confident	88.5	Confident	73 Å²	73	41.8 Å²	41.8	51%	0.51	21%	0.212	S	C	.	.			trans	54.4	43.4	-179.6	-58	0	0	0	0	113.1	L66 N67	L66-S71 PolarHBondContact O-N 2.97Å; L66-S71 VanDerWaalsContact O-N 3.14Å; N67-S71 WeakPolarHBondContact O-CA 3.46Å
72	V	90.6	Very high	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-65.1	148.7	179.3	-57.7	0	0	0	0	111.9	Q18 I49 L66 Y70 L75 K96	Q18-V72 HydrophobicContact CB-CB 4.48Å; Q18-V72 CarbonylContact O-C 3.4Å; Q18-V72 WeakPolarHBondContact O-CB 3.39Å; I49-V72 HydrophobicContact CD1-CG1 4.3Å; L66-V72 HydrophobicContact CB-CG1 4.3Å; L66-V72 HydrophobicContact CB-CG2 4Å; L66-V72 HydrophobicContact CD2-CG1 4.13Å; L66-V72 WeakPolarHBondContact O-CG2 3.4Å; L66-V72 PolarHBondContact O-N 3.09Å; Y70-V72 VanDerWaalsContact C-N 3.3Å; Y70-V72 PolarHBondContact O-N 2.8Å; V72-L75 HydrophobicContact CG2-CD2 3.86Å; V72-K96 WeakPolarHBondContact O-CD 3.33Å; V72-K96 WeakPolarHBondContact O-CE 3.24Å; V72-K96 PolarHBondContact O-NZ 2.98Å
73	D	86	Confident	87.7	Confident	54 Å²	54	41.3 Å²	41.3	29%	0.289	21%	0.209	S	C	.	.	S	Bend	trans	-82.4	-33.1	-179.4	-60.8	-61.4	0	0	0	112.7	F17 Q18	F17-D73 WeakPolarHBondContact CA-OD2 3.43Å; F17-D73 HydrophobicContact CD1-CB 3.66Å; F17-D73 HydrophobicContact CE1-CB 4.33Å; Q18-D73 PolarHBondContact N-OD2 2.8Å; Q18-D73 PolarHBondContact O-N 3.21Å
74	L	90.1	Very high	87.5	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.8	177.9	72.4	89.2	0	0	0	111.4	I19 G20 I76 L97 L299	I19-L74 HydrophobicContact CB-CD1 4.43Å; I19-L74 HydrophobicContact CG1-CD1 4.3Å; I19-L74 HydrophobicContact CG1-CD2 4.4Å; I19-L74 HydrophobicContact CG1-CG 4.27Å; I19-L74 HydrophobicContact CG2-CD1 3.8Å; G20-L74 PolarHBondContact N-O 3.23Å; L74-I76 HydrophobicContact CD1-CB 4.5Å; L74-L97 HydrophobicContact CB-CB 4.38Å; L74-L299 HydrophobicContact CD1-CD1 4.44Å; L74-L299 HydrophobicContact CD2-CD1 3.62Å
75	L	93.7	Very high	87.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.3	176.8	-66.6	169.7	0	0	0	110.1	G20 L66 V72 V87 A91 W94 L97 Y98 L99	G20-L75 CarbonylContact O-C 3.5Å; G20-L75 VanDerWaalsContact O-CA 3.31Å; G20-L75 WeakPolarHBondContact O-CA 3.45Å; L66-L75 HydrophobicContact CB-CD2 3.89Å; L66-L75 HydrophobicContact CD1-CD2 3.85Å; V72-L75 HydrophobicContact CG2-CD2 3.86Å; L75-V87 HydrophobicContact CD1-CG1 4.39Å; L75-A91 HydrophobicContact CD1-CB 4.42Å; L75-W94 HydrophobicContact CD1-CE3 4.05Å; L75-W94 HydrophobicContact CD1-CZ3 3.93Å; L75-L97 PolarHBondContact N-O 3.25Å; L75-Y98 HydrophobicContact CB-CD2 3.62Å; L75-Y98 HydrophobicContact CB-CE2 4.4Å; L75-Y98 HydrophobicContact CB-CG 4.36Å; L75-Y98 CarbonylContact O-C 3.56Å; L75-Y98 WeakPolarHBondContact O-CA 3.49Å; L75-L99 PolarHBondContact O-N 3.35Å
76	I	93.6	Very high	87.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.7	173.8	-174.7	164.8	0	0	0	109.5	I19 G20 H21 L22 L74 L99 L292 L296	I19-I76 HydrophobicContact CG2-CB 4.4Å; I19-I76 HydrophobicContact CG2-CG2 3.44Å; I19-I76 VanDerWaalsContact CG2-CG2 3.44Å; G20-I76 PolarHBondContact O-N 3.34Å; H21-I76 CarbonylContact C-O 3.57Å; H21-I76 VanDerWaalsContact CA-O 3.26Å; H21-I76 WeakPolarHBondContact CA-O 3.28Å; H21-I76 HydrophobicContact CB-CG2 3.97Å; L22-I76 PolarHBondContact N-O 2.84Å; L74-I76 HydrophobicContact CD1-CB 4.5Å; I76-L99 CarbonylContact C-O 3.52Å; I76-L99 WeakPolarHBondContact CA-O 3.45Å; I76-L99 HydrophobicContact CB-CB 4.09Å; I76-L99 HydrophobicContact CD1-CB 4.24Å; I76-L99 HydrophobicContact CD1-CD1 4.17Å; I76-L99 HydrophobicContact CG1-CB 3.84Å; I76-L292 HydrophobicContact CD1-CB 4.2Å; I76-L292 HydrophobicContact CD1-CD2 4.27Å; I76-L292 HydrophobicContact CG1-CB 4.48Å; I76-L292 HydrophobicContact CG1-CD2 3.74Å; I76-L296 HydrophobicContact CD1-CD2 3.78Å; I76-L296 HydrophobicContact CD1-CG 3.88Å
77	G	89.8	Confident	87.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.1	-155.9	168.4	0	0	0	0	0	117.1	L22 Y98 L99 S100 S101	L22-G77 WeakPolarHBondContact O-CA 3.4Å; G77-Y98 PolarHBondContact O-OH 2.89Å; G77-L99 PolarHBondContact N-O 2.88Å; G77-S100 WeakPolarHBondContact O-CA 3.41Å; G77-S101 PolarHBondContact O-N 3.3Å
78	A	70.2	Confident	87.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.			trans	45.4	134.4	-179.6	0	0	0	0	0	119.4	L22 S101 A102	L22-A78 HydrophobicContact CB-CB 4.41Å; L22-A78 PolarHBondContact O-N 3.35Å; L22-A78 VanDerWaalsContact O-N 3.17Å; A78-S101 PolarHBondContact O-OG 2.82Å; A78-A102 PolarHBondContact O-N 3.4Å
79	A	62.4	Low	87.1	Confident	15 Å²	15	40.6 Å²	40.6	12%	0.124	20%	0.202	C	C	.	.			trans	-117.9	5.5	-176.1	0	0	0	0	0	113.6	F24 K288	F24-A79 HydrophobicContact CD2-CB 4.07Å; A79-K288 HydrophobicContact CB-CD 3.86Å
80	C	81.1	Confident	87.1	Confident	32 Å²	32	36.9 Å²	36.9	22%	0.216	19%	0.186	C	C	.	.			trans	-98.7	123.1	171.7	48.2	0	0	0	0	109.1	C54 E82 E83 T84	C54-C80 WeakPolarHBondContact CA-SG 3.42Å; C54-C80 HydrophobicContact CB-CB 3.8Å; C54-C80 WeakPolarHBondContact CB-SG 3.4Å; C54-C80 WeakPolarHBondContact SG-CB 3.49Å; C54-C80 PolarHBondContact SG-N 3.36Å; C54-C80 VanDerWaalsContact SG-N 3.38Å; C54-C80 CovalentContact SG-SG 2.04Å; C54-C80 PolarHBondContact SG-SG 3.01Å; C80-E82 VanDerWaalsContact C-N 3.31Å; C80-E82 PolarHBondContact O-N 3.23Å; C80-E83 VanDerWaalsContact SG-CD 3.57Å; C80-T84 WeakPolarHBondContact O-CB 3.32Å; C80-T84 PolarHBondContact O-N 2.95Å; C80-T84 PolarHBondContact O-OG1 3.41Å
81	D	78.4	Confident	87.1	Confident	86 Å²	86	33 Å²	33	46%	0.46	17%	0.171	S	C	.	.	H	α-helix	trans	-63	-38.3	-170	-58.7	-31.3	0	0	0	111.9	T84 Q85	D81-T84 PolarHBondContact O-N 2.83Å; D81-Q85 WeakPolarHBondContact O-CG 3.43Å; D81-Q85 PolarHBondContact O-N 3.47Å
82	E	80	Confident	87.3	Confident	132 Å²	132	32 Å²	32	62%	0.617	16%	0.16	S	C	*	.	H	α-helix	trans	-66.3	-43.7	-175.9	-60.8	-175.8	165.1	0	0	113.7	F57 C80 T86	F57-E82 HydrophobicContact CE1-CB 3.93Å; F57-E82 HydrophobicContact CZ-CB 4.27Å; F57-E82 WeakPolarHBondContact CZ-OE2 3.46Å; C80-E82 VanDerWaalsContact C-N 3.31Å; C80-E82 PolarHBondContact O-N 3.23Å; E82-T86 PolarHBondContact O-OG1 3.4Å
83	E	89.3	Confident	87.4	Confident	6 Å²	6	42 Å²	42	3%	0.028	20%	0.198	C	C	.	.	H	α-helix	trans	-70.9	-40.9	176.4	-63.3	-172.7	177.6	0	0	110.7	C54 F57 G59 L60 C80 Q85 T86 V87	C54-E83 VanDerWaalsContact CA-OE1 3.26Å; C54-E83 WeakPolarHBondContact CA-OE1 3.34Å; C54-E83 VanDerWaalsContact N-CD 3.29Å; C54-E83 PolarHBondContact N-OE1 2.83Å; C54-E83 VanDerWaalsContact N-OE1 3.16Å; C54-E83 PolarHBondContact N-OE2 2.93Å; F57-E83 WeakPolarHBondContact CA-OE1 3.27Å; F57-E83 HydrophobicContact CD1-CG 4.11Å; F57-E83 PolarHBondContact N-OE1 3.44Å; G59-E83 VanDerWaalsContact CA-OE2 3.24Å; G59-E83 WeakPolarHBondContact CA-OE2 3.37Å; G59-E83 PolarHBondContact N-OE2 2.94Å; L60-E83 HydrophobicContact CD1-CB 3.79Å; L60-E83 HydrophobicContact CD1-CG 3.73Å; C80-E83 VanDerWaalsContact SG-CD 3.57Å; E83-Q85 PolarHBondContact O-N 2.85Å; E83-T86 PolarHBondContact O-N 3.26Å; E83-V87 WeakPolarHBondContact O-CG2 3.43Å; E83-V87 PolarHBondContact O-N 3.1Å
84	T	89.5	Confident	87.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-42.6	-173.2	-56	0	0	0	0	112	C80 D81 T86 V87 S88 Y98 S100 A102 L104	C80-T84 WeakPolarHBondContact O-CB 3.32Å; C80-T84 PolarHBondContact O-N 2.95Å; C80-T84 PolarHBondContact O-OG1 3.41Å; D81-T84 PolarHBondContact O-N 2.83Å; T84-T86 VanDerWaalsContact C-N 3.26Å; T84-T86 PolarHBondContact O-N 2.86Å; T84-V87 PolarHBondContact O-N 3.02Å; T84-S88 VanDerWaalsContact O-CB 3.28Å; T84-S88 WeakPolarHBondContact O-CB 2.78Å; T84-S88 PolarHBondContact O-N 3.39Å; T84-Y98 HydrophobicContact CG2-CE1 3.77Å; T84-Y98 WeakPolarHBondContact CG2-OH 3.06Å; T84-S100 WeakPolarHBondContact CG2-OG 3.33Å; T84-A102 HydrophobicContact CG2-CB 3.75Å; T84-L104 HydrophobicContact CG2-CD1 3.68Å; T84-L104 HydrophobicContact CG2-CD2 4.08Å; T84-L104 HydrophobicContact CG2-CG 4.06Å
85	Q	89.6	Confident	87.6	Confident	53 Å²	53	44.5 Å²	44.5	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-37.9	175.4	-70.2	-177.6	15.3	0	0	112	D81 E83 S88 R89 L104 E108	D81-Q85 WeakPolarHBondContact O-CG 3.43Å; D81-Q85 PolarHBondContact O-N 3.47Å; E83-Q85 PolarHBondContact O-N 2.85Å; Q85-S88 WeakPolarHBondContact O-CB 3.39Å; Q85-R89 PolarHBondContact O-N 2.86Å; Q85-L104 HydrophobicContact CG-CD2 3.82Å; Q85-E108 HydrophobicContact CG-CB 4.25Å; Q85-E108 PolarHBondContact NE2-OE1 3.04Å
86	T	91.1	Very high	87.4	Confident	45 Å²	45	45.3 Å²	45.3	28%	0.276	21%	0.21	S	C	.	.	H	α-helix	trans	-76.1	-40	179.9	-52.7	0	0	0	0	111.9	L60 E82 E83 T84 S88 R89 L90	L60-T86 HydrophobicContact CD2-CG2 3.39Å; L60-T86 HydrophobicContact CG-CG2 3.99Å; E82-T86 PolarHBondContact O-OG1 3.4Å; E83-T86 PolarHBondContact O-N 3.26Å; T84-T86 VanDerWaalsContact C-N 3.26Å; T84-T86 PolarHBondContact O-N 2.86Å; T86-S88 VanDerWaalsContact C-N 3.27Å; T86-S88 PolarHBondContact O-N 3.22Å; T86-R89 WeakPolarHBondContact O-CB 3.19Å; T86-R89 PolarHBondContact O-N 3.13Å; T86-L90 WeakPolarHBondContact O-CG 3.46Å; T86-L90 PolarHBondContact O-N 3.33Å
87	V	93.3	Very high	87.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-38.9	173.3	174.7	0	0	0	0	110.8	L22 A63 L75 E83 T84 R89 L90 A91 Y98	L22-V87 HydrophobicContact CD1-CB 4.47Å; L22-V87 HydrophobicContact CD1-CG1 3.82Å; L22-V87 HydrophobicContact CD1-CG2 3.93Å; A63-V87 HydrophobicContact CB-CG1 4.2Å; A63-V87 HydrophobicContact CB-CG2 4.01Å; L75-V87 HydrophobicContact CD1-CG1 4.39Å; E83-V87 WeakPolarHBondContact O-CG2 3.43Å; E83-V87 PolarHBondContact O-N 3.1Å; T84-V87 PolarHBondContact O-N 3.02Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 2.83Å; V87-L90 PolarHBondContact O-N 2.87Å; V87-A91 WeakPolarHBondContact O-CB 2.98Å; V87-A91 PolarHBondContact O-N 2.98Å; V87-Y98 HydrophobicContact CB-CE1 3.97Å; V87-Y98 HydrophobicContact CG1-CD1 3.98Å; V87-Y98 HydrophobicContact CG1-CD2 4.13Å; V87-Y98 HydrophobicContact CG1-CE1 3.66Å; V87-Y98 HydrophobicContact CG1-CE2 3.84Å; V87-Y98 HydrophobicContact CG1-CG 4.21Å
88	S	93.1	Very high	87.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-43.8	173.7	-175	0	0	0	0	112.4	T84 Q85 T86 A91 L92 K109 E110 T113	T84-S88 VanDerWaalsContact O-CB 3.28Å; T84-S88 WeakPolarHBondContact O-CB 2.78Å; T84-S88 PolarHBondContact O-N 3.39Å; Q85-S88 WeakPolarHBondContact O-CB 3.39Å; T86-S88 VanDerWaalsContact C-N 3.27Å; T86-S88 PolarHBondContact O-N 3.22Å; S88-A91 PolarHBondContact O-N 3.42Å; S88-L92 PolarHBondContact O-N 3.29Å; S88-L92 VanDerWaalsContact O-N 3.15Å; S88-K109 WeakPolarHBondContact OG-CA 3.48Å; S88-E110 PolarHBondContact OG-N 3.46Å; S88-T113 WeakPolarHBondContact CA-OG1 3.29Å; S88-T113 WeakPolarHBondContact CB-OG1 3.14Å; S88-T113 VanDerWaalsContact OG-CB 3.25Å; S88-T113 WeakPolarHBondContact OG-CB 3.45Å; S88-T113 PolarHBondContact OG-OG1 2.87Å
89	R	93.3	Very high	88.6	Confident	140 Å²	140	45.4 Å²	45.4	53%	0.528	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-39.4	174.6	-70.1	171.2	179.9	162.3	5.6	113.6	Q85 T86 V87 R93 E110	Q85-R89 PolarHBondContact O-N 2.86Å; T86-R89 WeakPolarHBondContact O-CB 3.19Å; T86-R89 PolarHBondContact O-N 3.13Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 2.83Å; R89-R93 PolarHBondContact O-N 3.05Å; R89-E110 HydrophobicContact CB-CG 4.43Å; R89-E110 HydrophobicContact CG-CG 3.96Å; R89-E110 WeakPolarHBondContact CG-OE1 3.45Å
90	L	93.4	Very high	90	Very high	51 Å²	51	44.7 Å²	44.7	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-68.6	-43	177	-67.7	173.5	0	0	0	111.4	T86 V87 L92 R93 W94	T86-L90 WeakPolarHBondContact O-CG 3.46Å; T86-L90 PolarHBondContact O-N 3.33Å; V87-L90 PolarHBondContact O-N 2.87Å; L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 2.89Å; L90-R93 CarbonylContact O-C 3.53Å; L90-R93 PolarHBondContact O-N 2.75Å; L90-W94 HydrophobicContact CB-CD2 4.27Å; L90-W94 HydrophobicContact CB-CE3 3.98Å; L90-W94 HydrophobicContact CB-CH2 3.6Å; L90-W94 HydrophobicContact CB-CZ2 3.91Å; L90-W94 HydrophobicContact CB-CZ3 3.64Å; L90-W94 HydrophobicContact CD1-CH2 3.81Å; L90-W94 HydrophobicContact CD1-CZ2 4.25Å; L90-W94 HydrophobicContact CD1-CZ3 4.49Å; L90-W94 HydrophobicContact CD2-CH2 4.5Å; L90-W94 HydrophobicContact CD2-CZ2 4.17Å; L90-W94 HydrophobicContact CG-CH2 4.17Å; L90-W94 HydrophobicContact CG-CZ2 4.34Å; L90-W94 VanDerWaalsContact O-CD2 3.28Å; L90-W94 VanDerWaalsContact O-CG 3.27Å; L90-W94 PolarHBondContact O-N 2.75Å
91	A	92.5	Very high	90.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-41.2	177.4	0	0	0	0	0	112.2	L75 V87 S88 R93 W94 H95 K96 Y98	L75-A91 HydrophobicContact CD1-CB 4.42Å; V87-A91 WeakPolarHBondContact O-CB 2.98Å; V87-A91 PolarHBondContact O-N 2.98Å; S88-A91 PolarHBondContact O-N 3.42Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 PolarHBondContact O-N 2.89Å; A91-W94 CarbonylContact O-C 3.57Å; A91-W94 PolarHBondContact O-N 3.38Å; A91-H95 PolarHBondContact O-N 2.84Å; A91-K96 PolarHBondContact O-N 3.38Å; A91-Y98 HydrophobicContact CB-CG 4.44Å
92	L	92.7	Very high	90.8	Very high	54 Å²	54	39.1 Å²	39.1	28%	0.283	17%	0.173	S	C	.	.	H	α-helix	trans	-56.9	-47.4	172.7	174.2	65.6	0	0	0	111.3	S88 L90 W94 H95 E110 S111 T112	S88-L92 PolarHBondContact O-N 3.29Å; S88-L92 VanDerWaalsContact O-N 3.15Å; L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 2.89Å; L92-W94 VanDerWaalsContact C-N 3.31Å; L92-W94 PolarHBondContact O-N 2.78Å; L92-H95 PolarHBondContact O-N 3.21Å; L92-E110 HydrophobicContact CB-CB 3.73Å; L92-E110 HydrophobicContact CB-CG 3.93Å; L92-E110 HydrophobicContact CD2-CB 3.89Å; L92-E110 HydrophobicContact CD2-CG 3.77Å; L92-E110 WeakPolarHBondContact CD2-OE2 3.48Å; L92-E110 HydrophobicContact CG-CB 4.25Å; L92-E110 HydrophobicContact CG-CG 4.45Å; L92-S111 WeakPolarHBondContact CD1-OG 3.28Å; L92-T112 WeakPolarHBondContact CA-OG1 3.32Å; L92-T112 HydrophobicContact CB-CG2 4.48Å; L92-T112 HydrophobicContact CD1-CG2 3.75Å; L92-T112 PolarHBondContact N-OG1 2.49Å; L92-T112 VanDerWaalsContact N-OG1 3.09Å
93	R	92.1	Very high	90.8	Very high	209 Å²	209	34.7 Å²	34.7	79%	0.789	16%	0.155	S	C	*	.	H	α-helix	trans	-70	-28.2	-178.9	-171	157.5	-177.5	128.6	-2.3	113.2	R89 L90 A91 H95	R89-R93 PolarHBondContact O-N 3.05Å; L90-R93 CarbonylContact O-C 3.53Å; L90-R93 PolarHBondContact O-N 2.75Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 PolarHBondContact O-N 2.89Å; R93-H95 VanDerWaalsContact C-N 3.31Å
94	W	91.7	Very high	90.4	Very high	28 Å²	28	34.5 Å²	34.5	11%	0.106	16%	0.155	C	C	.	.	H	α-helix	trans	-84.7	-5.7	174.5	-61.3	-32.9	0	0	0	113.3	A63 A64 N67 Y68 L75 L90 A91 L92 K96	A63-W94 HydrophobicContact CB-CH2 4.2Å; A63-W94 HydrophobicContact CB-CZ3 4.15Å; A63-W94 WeakPolarHBondContact O-CH2 3.49Å; A64-W94 HydrophobicContact CB-CH2 4.17Å; A64-W94 HydrophobicContact CB-CZ2 4.21Å; N67-W94 HydrophobicContact CB-CD2 3.85Å; N67-W94 HydrophobicContact CB-CE3 3.78Å; N67-W94 HydrophobicContact CB-CG 4.48Å; N67-W94 HydrophobicContact CB-CH2 4.08Å; N67-W94 HydrophobicContact CB-CZ2 4.13Å; N67-W94 HydrophobicContact CB-CZ3 3.9Å; N67-W94 VanDerWaalsContact CG-CD2 3.45Å; N67-W94 PolarHBondContact ND2-NE1 3.32Å; Y68-W94 AromaticContact CE2-CZ2 3.99Å; Y68-W94 HydrophobicContact CE2-CZ2 3.99Å; Y68-W94 AromaticContact CE2-NE1 3.86Å; Y68-W94 AromaticContact CZ-NE1 3.51Å; Y68-W94 PolarHBondContact OH-NE1 3.43Å; Y68-W94 VanDerWaalsContact OH-NE1 3.1Å; L75-W94 HydrophobicContact CD1-CE3 4.05Å; L75-W94 HydrophobicContact CD1-CZ3 3.93Å; L90-W94 HydrophobicContact CB-CD2 4.27Å; L90-W94 HydrophobicContact CB-CE3 3.98Å; L90-W94 HydrophobicContact CB-CH2 3.6Å; L90-W94 HydrophobicContact CB-CZ2 3.91Å; L90-W94 HydrophobicContact CB-CZ3 3.64Å; L90-W94 HydrophobicContact CD1-CH2 3.81Å; L90-W94 HydrophobicContact CD1-CZ2 4.25Å; L90-W94 HydrophobicContact CD1-CZ3 4.49Å; L90-W94 HydrophobicContact CD2-CH2 4.5Å; L90-W94 HydrophobicContact CD2-CZ2 4.17Å; L90-W94 HydrophobicContact CG-CH2 4.17Å; L90-W94 HydrophobicContact CG-CZ2 4.34Å; L90-W94 VanDerWaalsContact O-CD2 3.28Å; L90-W94 VanDerWaalsContact O-CG 3.27Å; L90-W94 PolarHBondContact O-N 2.75Å; A91-W94 CarbonylContact O-C 3.57Å; A91-W94 PolarHBondContact O-N 3.38Å; L92-W94 VanDerWaalsContact C-N 3.31Å; L92-W94 PolarHBondContact O-N 2.78Å; W94-K96 VanDerWaalsContact C-N 3.31Å; W94-K96 HydrophobicContact CB-CD 4.33Å; W94-K96 HydrophobicContact CB-CG 4.21Å; W94-K96 PolarHBondContact O-N 3Å
95	H	89.9	Confident	89.9	Confident	82 Å²	82	35.6 Å²	35.6	38%	0.38	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	45.8	-172.7	-59.4	-68.1	0	0	0	112.5	A91 L92 R93 V312 L315	A91-H95 PolarHBondContact O-N 2.84Å; L92-H95 PolarHBondContact O-N 3.21Å; R93-H95 VanDerWaalsContact C-N 3.31Å; H95-V312 HydrophobicContact CB-CB 4.48Å; H95-V312 HydrophobicContact CB-CG2 3.83Å; H95-L315 HydrophobicContact CB-CD2 4.33Å
96	K	89.4	Confident	89.4	Confident	18 Å²	18	36.9 Å²	36.9	8%	0.078	17%	0.173	C	C	.	.			trans	-120.3	141.6	179.5	-67.9	-174.4	177.3	176.4	0	111.1	N67 V72 A91 W94 Y98 T112 I311	N67-K96 WeakPolarHBondContact OD1-CD 3.34Å; N67-K96 VanDerWaalsContact OD1-CE 3.26Å; N67-K96 WeakPolarHBondContact OD1-CE 3.37Å; N67-K96 PolarHBondContact OD1-NZ 3.1Å; V72-K96 WeakPolarHBondContact O-CD 3.33Å; V72-K96 WeakPolarHBondContact O-CE 3.24Å; V72-K96 PolarHBondContact O-NZ 2.98Å; A91-K96 PolarHBondContact O-N 3.38Å; W94-K96 VanDerWaalsContact C-N 3.31Å; W94-K96 HydrophobicContact CB-CD 4.33Å; W94-K96 HydrophobicContact CB-CG 4.21Å; W94-K96 PolarHBondContact O-N 3Å; K96-Y98 PolarHBondContact O-N 3.08Å; K96-T112 WeakPolarHBondContact O-CB 3.47Å; K96-T112 PolarHBondContact O-OG1 3.38Å; K96-I311 HydrophobicContact CG-CD1 4.3Å
97	L	91.4	Very high	89	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	20%	0.198	C	C	.	.			trans	-68.3	129.5	172.3	-172.3	70.7	0	0	0	109	L74 L75 L99 T112 I114 L299 L315 L318 W319	L74-L97 HydrophobicContact CB-CB 4.38Å; L75-L97 PolarHBondContact N-O 3.25Å; L97-L99 HydrophobicContact CD2-CD2 3.93Å; L97-L99 HydrophobicContact CD2-CG 4.39Å; L97-L99 HydrophobicContact CG-CD2 4.12Å; L97-T112 CarbonylContact C-O 3.53Å; L97-T112 WeakPolarHBondContact CA-O 3.36Å; L97-I114 HydrophobicContact CD1-CD1 3.84Å; L97-I114 HydrophobicContact CD1-CG1 4.1Å; L97-I114 HydrophobicContact CD2-CD1 4.47Å; L97-L299 HydrophobicContact CD2-CD2 3.99Å; L97-L315 HydrophobicContact CB-CD1 4.16Å; L97-L318 HydrophobicContact CB-CD2 4.1Å; L97-L318 HydrophobicContact CD2-CD2 3.8Å; L97-L318 HydrophobicContact CD2-CG 4.03Å; L97-W319 HydrophobicContact CD1-CE3 4.09Å; L97-W319 HydrophobicContact CD1-CZ3 4.41Å
98	Y	93.5	Very high	88.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.1	174.4	176.3	-137.5	0	0	0	111	L22 L75 G77 T84 V87 A91 K96 T112 T113 I114	L22-Y98 HydrophobicContact CD1-CE2 4.48Å; L75-Y98 HydrophobicContact CB-CD2 3.62Å; L75-Y98 HydrophobicContact CB-CE2 4.4Å; L75-Y98 HydrophobicContact CB-CG 4.36Å; L75-Y98 CarbonylContact O-C 3.56Å; L75-Y98 WeakPolarHBondContact O-CA 3.49Å; G77-Y98 PolarHBondContact O-OH 2.89Å; T84-Y98 HydrophobicContact CG2-CE1 3.77Å; T84-Y98 WeakPolarHBondContact CG2-OH 3.06Å; V87-Y98 HydrophobicContact CB-CE1 3.97Å; V87-Y98 HydrophobicContact CG1-CD1 3.98Å; V87-Y98 HydrophobicContact CG1-CD2 4.13Å; V87-Y98 HydrophobicContact CG1-CE1 3.66Å; V87-Y98 HydrophobicContact CG1-CE2 3.84Å; V87-Y98 HydrophobicContact CG1-CG 4.21Å; A91-Y98 HydrophobicContact CB-CG 4.44Å; K96-Y98 PolarHBondContact O-N 3.08Å; Y98-T112 PolarHBondContact N-O 2.96Å; Y98-T113 HydrophobicContact CD1-CG2 3.56Å; Y98-T113 HydrophobicContact CE1-CG2 4.23Å; Y98-T113 HydrophobicContact CG-CG2 4.31Å; Y98-T113 CarbonylContact O-C 3.56Å; Y98-T113 VanDerWaalsContact O-CA 3.29Å; Y98-T113 WeakPolarHBondContact O-CA 3.34Å; Y98-I114 PolarHBondContact O-N 3.29Å
99	L	93.6	Very high	88.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	99.8	178.8	-64.5	-171.8	0	0	0	110.1	L75 I76 G77 L97 I114 L116 L299	L75-L99 PolarHBondContact O-N 3.35Å; I76-L99 CarbonylContact C-O 3.52Å; I76-L99 WeakPolarHBondContact CA-O 3.45Å; I76-L99 HydrophobicContact CB-CB 4.09Å; I76-L99 HydrophobicContact CD1-CB 4.24Å; I76-L99 HydrophobicContact CD1-CD1 4.17Å; I76-L99 HydrophobicContact CG1-CB 3.84Å; G77-L99 PolarHBondContact N-O 2.88Å; L97-L99 HydrophobicContact CD2-CD2 3.93Å; L97-L99 HydrophobicContact CD2-CG 4.39Å; L97-L99 HydrophobicContact CG-CD2 4.12Å; L99-I114 HydrophobicContact CD2-CB 3.77Å; L99-I114 HydrophobicContact CD2-CD1 3.86Å; L99-I114 HydrophobicContact CD2-CG1 4.22Å; L99-I114 HydrophobicContact CD2-CG2 4.29Å; L99-L116 HydrophobicContact CB-CD1 3.93Å; L99-L299 HydrophobicContact CD1-CD1 3.82Å; L99-L299 HydrophobicContact CD1-CG 4.3Å
100	S	92.2	Very high	88.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.7	-173.4	165.5	0	0	0	0	112.6	G77 T84 A102 I114 L116	G77-S100 WeakPolarHBondContact O-CA 3.41Å; T84-S100 WeakPolarHBondContact CG2-OG 3.33Å; S100-A102 PolarHBondContact OG-N 3.01Å; S100-A102 PolarHBondContact OG-O 3.25Å; S100-I114 PolarHBondContact N-O 2.91Å; S100-L116 VanDerWaalsContact O-CB 3.29Å; S100-L116 WeakPolarHBondContact O-CB 3.35Å; S100-L116 PolarHBondContact O-N 3.14Å
101	S	89.6	Confident	88	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.22	C	C	.	.	S	Bend	trans	-82.5	-10.4	167.7	70.6	0	0	0	0	114.2	G77 A78 K117	G77-S101 PolarHBondContact O-N 3.3Å; A78-S101 PolarHBondContact O-OG 2.82Å; S101-K117 VanDerWaalsContact O-CB 3.25Å; S101-K117 WeakPolarHBondContact O-CB 3.42Å
102	A	85.7	Confident	87.9	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.008	22%	0.222	C	C	.	.	S	Bend	trans	-77.4	146.9	175.4	0	0	0	0	0	111.4	A78 T84 S100 L104	A78-A102 PolarHBondContact O-N 3.4Å; T84-A102 HydrophobicContact CG2-CB 3.75Å; S100-A102 PolarHBondContact OG-N 3.01Å; S100-A102 PolarHBondContact OG-O 3.25Å; A102-L104 VanDerWaalsContact C-N 3.29Å; A102-L104 PolarHBondContact O-N 3.12Å
103	P	79.2	Confident	88	Confident	39 Å²	39	43 Å²	43	25%	0.253	21%	0.208	S	C	.	.			trans	-79.2	75.7	179.2	34.3	-31.3	0	0	0	110.2	K117	P103-K117 HydrophobicContact CB-CB 4.31Å; P103-K117 HydrophobicContact CB-CD 3.93Å; P103-K117 HydrophobicContact CB-CG 4.1Å; P103-K117 HydrophobicContact CG-CD 4.07Å
104	L	82.1	Confident	88	Confident	2 Å²	2	33 Å²	33	1%	0.01	17%	0.171	C	C	.	.			trans	-81.2	128.3	176.7	-56.9	172.4	0	0	0	110.5	T84 Q85 A102 E108 K109 T113 A115	T84-L104 HydrophobicContact CG2-CD1 3.68Å; T84-L104 HydrophobicContact CG2-CD2 4.08Å; T84-L104 HydrophobicContact CG2-CG 4.06Å; Q85-L104 HydrophobicContact CG-CD2 3.82Å; A102-L104 VanDerWaalsContact C-N 3.29Å; A102-L104 PolarHBondContact O-N 3.12Å; L104-E108 HydrophobicContact CB-CB 4.39Å; L104-E108 HydrophobicContact CD2-CB 4.21Å; L104-K109 HydrophobicContact CB-CB 3.93Å; L104-K109 HydrophobicContact CB-CD 4.46Å; L104-K109 HydrophobicContact CD1-CB 3.69Å; L104-K109 HydrophobicContact CG-CB 4.46Å; L104-T113 HydrophobicContact CD1-CG2 3.85Å; L104-A115 HydrophobicContact CB-CB 4.1Å; L104-A115 WeakPolarHBondContact O-CB 3.49Å
105	S	78.4	Confident	88	Confident	23 Å²	23	31.7 Å²	31.7	16%	0.161	17%	0.166	C	C	.	.			trans	-68.6	165.7	165.3	67.2	0	0	0	0	111.4	K107 E108 K109	S105-K107 PolarHBondContact O-N 3.44Å; S105-K107 VanDerWaalsContact O-N 3.13Å; S105-K107 PolarHBondContact OG-N 3.35Å; S105-E108 WeakPolarHBondContact CB-OE2 3.18Å; S105-E108 PolarHBondContact N-OE2 3.29Å; S105-E108 PolarHBondContact O-N 3.22Å; S105-E108 VanDerWaalsContact OG-CD 3.3Å; S105-E108 VanDerWaalsContact OG-CG 3.31Å; S105-E108 WeakPolarHBondContact OG-CG 3.26Å; S105-E108 PolarHBondContact OG-N 3.18Å; S105-E108 PolarHBondContact OG-OE2 2.8Å; S105-K109 PolarHBondContact O-N 2.86Å
106	T	79.9	Confident	88	Confident	79 Å²	79	27.8 Å²	27.8	49%	0.485	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.1	173.2	50.6	0	0	0	0	113.5	D339 V341	T106-D339 HydrophobicContact CG2-CB 3.66Å; T106-D339 WeakPolarHBondContact CG2-OD2 3.22Å; T106-V341 HydrophobicContact CG2-CG2 3.74Å
107	K	81.8	Confident	87.9	Confident	183 Å²	183	29 Å²	29	80%	0.796	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-22.3	177.6	-67.2	-179.2	-179.4	172.1	0	113.2	S105	S105-K107 PolarHBondContact O-N 3.44Å; S105-K107 VanDerWaalsContact O-N 3.13Å; S105-K107 PolarHBondContact OG-N 3.35Å
108	E	82.6	Confident	87.4	Confident	72 Å²	72	29.6 Å²	29.6	34%	0.336	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.8	-175	-70.1	165.9	131.8	0	0	113.4	Q85 L104 S105	Q85-E108 HydrophobicContact CG-CB 4.25Å; Q85-E108 PolarHBondContact NE2-OE1 3.04Å; L104-E108 HydrophobicContact CB-CB 4.39Å; L104-E108 HydrophobicContact CD2-CB 4.21Å; S105-E108 WeakPolarHBondContact CB-OE2 3.18Å; S105-E108 PolarHBondContact N-OE2 3.29Å; S105-E108 PolarHBondContact O-N 3.22Å; S105-E108 VanDerWaalsContact OG-CD 3.3Å; S105-E108 VanDerWaalsContact OG-CG 3.31Å; S105-E108 WeakPolarHBondContact OG-CG 3.26Å; S105-E108 PolarHBondContact OG-N 3.18Å; S105-E108 PolarHBondContact OG-OE2 2.8Å
109	K	88.5	Confident	86.3	Confident	16 Å²	16	31.4 Å²	31.4	7%	0.07	17%	0.165	C	C	.	.	S	Bend	trans	-112.5	156.5	-179.4	77.5	-178.7	-166	65.9	0	112.1	S88 L104 S105 T113 A115 D339 V341	S88-K109 WeakPolarHBondContact OG-CA 3.48Å; L104-K109 HydrophobicContact CB-CB 3.93Å; L104-K109 HydrophobicContact CB-CD 4.46Å; L104-K109 HydrophobicContact CD1-CB 3.69Å; L104-K109 HydrophobicContact CG-CB 4.46Å; S105-K109 PolarHBondContact O-N 2.86Å; K109-T113 HydrophobicContact CB-CG2 4.04Å; K109-T113 WeakPolarHBondContact CD-O 3.25Å; K109-T113 WeakPolarHBondContact CE-O 3.36Å; K109-T113 PolarHBondContact NZ-O 2.86Å; K109-A115 HydrophobicContact CD-CB 4.3Å; K109-D339 WeakPolarHBondContact CE-O 3.37Å; K109-D339 PolarHBondContact NZ-O 3.48Å; K109-V341 HydrophobicContact CD-CG2 4.12Å; K109-V341 VanDerWaalsContact CE-CG2 3.46Å
110	E	91.8	Very high	85.3	Confident	61 Å²	61	34.2 Å²	34.2	29%	0.285	19%	0.185	S	C	.	.			trans	-88.4	171	170.9	-60.9	-55.6	157.6	0	0	112.5	S88 R89 L92 T112 T113	S88-E110 PolarHBondContact OG-N 3.46Å; R89-E110 HydrophobicContact CB-CG 4.43Å; R89-E110 HydrophobicContact CG-CG 3.96Å; R89-E110 WeakPolarHBondContact CG-OE1 3.45Å; L92-E110 HydrophobicContact CB-CB 3.73Å; L92-E110 HydrophobicContact CB-CG 3.93Å; L92-E110 HydrophobicContact CD2-CB 3.89Å; L92-E110 HydrophobicContact CD2-CG 3.77Å; L92-E110 WeakPolarHBondContact CD2-OE2 3.48Å; L92-E110 HydrophobicContact CG-CB 4.25Å; L92-E110 HydrophobicContact CG-CG 4.45Å; E110-T112 PolarHBondContact O-N 2.96Å; E110-T112 VanDerWaalsContact O-N 3.14Å; E110-T113 PolarHBondContact O-N 2.87Å; E110-T113 VanDerWaalsContact O-N 3.13Å
111	S	89.1	Confident	84.9	Confident	81 Å²	81	36.7 Å²	36.7	57%	0.566	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.4	-176.5	59.4	0	0	0	0	115.4	L92 W319	L92-S111 WeakPolarHBondContact CD1-OG 3.28Å; S111-W319 VanDerWaalsContact O-CH2 3.26Å; S111-W319 WeakPolarHBondContact O-CH2 3.11Å; S111-W319 WeakPolarHBondContact O-CZ3 3.23Å
112	T	91.4	Very high	84.5	Confident	6 Å²	6	38 Å²	38	4%	0.037	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.1	174.9	67.6	0	0	0	0	112.6	L92 K96 L97 Y98 E110 L315	L92-T112 WeakPolarHBondContact CA-OG1 3.32Å; L92-T112 HydrophobicContact CB-CG2 4.48Å; L92-T112 HydrophobicContact CD1-CG2 3.75Å; L92-T112 PolarHBondContact N-OG1 2.49Å; L92-T112 VanDerWaalsContact N-OG1 3.09Å; K96-T112 WeakPolarHBondContact O-CB 3.47Å; K96-T112 PolarHBondContact O-OG1 3.38Å; L97-T112 CarbonylContact C-O 3.53Å; L97-T112 WeakPolarHBondContact CA-O 3.36Å; Y98-T112 PolarHBondContact N-O 2.96Å; E110-T112 PolarHBondContact O-N 2.96Å; E110-T112 VanDerWaalsContact O-N 3.14Å; T112-L315 HydrophobicContact CG2-CD2 3.65Å
113	T	93.6	Very high	84.4	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.7	-176.7	-60.4	0	0	0	0	110.6	S88 Y98 L104 K109 E110	S88-T113 WeakPolarHBondContact CA-OG1 3.29Å; S88-T113 WeakPolarHBondContact CB-OG1 3.14Å; S88-T113 VanDerWaalsContact OG-CB 3.25Å; S88-T113 WeakPolarHBondContact OG-CB 3.45Å; S88-T113 PolarHBondContact OG-OG1 2.87Å; Y98-T113 HydrophobicContact CD1-CG2 3.56Å; Y98-T113 HydrophobicContact CE1-CG2 4.23Å; Y98-T113 HydrophobicContact CG-CG2 4.31Å; Y98-T113 CarbonylContact O-C 3.56Å; Y98-T113 VanDerWaalsContact O-CA 3.29Å; Y98-T113 WeakPolarHBondContact O-CA 3.34Å; L104-T113 HydrophobicContact CD1-CG2 3.85Å; K109-T113 HydrophobicContact CB-CG2 4.04Å; K109-T113 WeakPolarHBondContact CD-O 3.25Å; K109-T113 WeakPolarHBondContact CE-O 3.36Å; K109-T113 PolarHBondContact NZ-O 2.86Å; E110-T113 PolarHBondContact O-N 2.87Å; E110-T113 VanDerWaalsContact O-N 3.13Å
114	I	92.8	Very high	84.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.9	172.8	-63.9	178.3	0	0	0	109.1	L97 Y98 L99 S100 L116 W319 V322 I336 G340	L97-I114 HydrophobicContact CD1-CD1 3.84Å; L97-I114 HydrophobicContact CD1-CG1 4.1Å; L97-I114 HydrophobicContact CD2-CD1 4.47Å; Y98-I114 PolarHBondContact O-N 3.29Å; L99-I114 HydrophobicContact CD2-CB 3.77Å; L99-I114 HydrophobicContact CD2-CD1 3.86Å; L99-I114 HydrophobicContact CD2-CG1 4.22Å; L99-I114 HydrophobicContact CD2-CG2 4.29Å; S100-I114 PolarHBondContact N-O 2.91Å; I114-L116 HydrophobicContact CG2-CD2 3.87Å; I114-L116 HydrophobicContact CG2-CG 4.36Å; I114-L116 PolarHBondContact O-N 3.35Å; I114-W319 HydrophobicContact CG1-CE3 4.48Å; I114-W319 HydrophobicContact CG1-CH2 4.45Å; I114-W319 HydrophobicContact CG1-CZ3 3.91Å; I114-V322 HydrophobicContact CD1-CB 3.94Å; I114-V322 HydrophobicContact CD1-CG2 3.17Å; I114-I336 HydrophobicContact CG2-CD1 4.05Å; I114-I336 HydrophobicContact CG2-CG1 4.25Å; I114-I336 HydrophobicContact CG2-CG2 3.88Å; I114-G340 CarbonylContact C-O 3.53Å; I114-G340 WeakPolarHBondContact CA-O 3.36Å
115	A	91.2	Very high	85.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	103.6	174.3	0	0	0	0	0	109.2	L104 K109 G340 V341 R342	L104-A115 HydrophobicContact CB-CB 4.1Å; L104-A115 WeakPolarHBondContact O-CB 3.49Å; K109-A115 HydrophobicContact CD-CB 4.3Å; A115-G340 PolarHBondContact N-O 2.95Å; A115-V341 HydrophobicContact CB-CG1 4.48Å; A115-V341 HydrophobicContact CB-CG2 4.48Å; A115-R342 WeakPolarHBondContact O-CB 3.47Å; A115-R342 PolarHBondContact O-N 3.41Å
116	L	91	Very high	85.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.			trans	-80.8	-19.2	-174.6	-64.2	170.8	0	0	0	113.5	L99 S100 I114 I291 L292 L298 I336 R342	L99-L116 HydrophobicContact CB-CD1 3.93Å; S100-L116 VanDerWaalsContact O-CB 3.29Å; S100-L116 WeakPolarHBondContact O-CB 3.35Å; S100-L116 PolarHBondContact O-N 3.14Å; I114-L116 HydrophobicContact CG2-CD2 3.87Å; I114-L116 HydrophobicContact CG2-CG 4.36Å; I114-L116 PolarHBondContact O-N 3.35Å; L116-I291 VanDerWaalsContact C-CG2 3.49Å; L116-I291 HydrophobicContact CB-CG2 3.37Å; L116-I291 WeakPolarHBondContact O-CG2 3.42Å; L116-L292 HydrophobicContact CD1-CD2 4.21Å; L116-L298 HydrophobicContact CD2-CD1 3.8Å; L116-I336 HydrophobicContact CD2-CD1 4.38Å; L116-R342 WeakPolarHBondContact O-CD 3.3Å; L116-R342 PolarHBondContact O-NH1 3.16Å
117	K	87.4	Confident	86.2	Confident	45 Å²	45	33.3 Å²	33.3	20%	0.196	18%	0.176	C	C	.	.	S	Bend	trans	-84.5	125.4	172.3	-177.1	173.2	170.2	-172.2	0	109	S101 P103 H119 Y284 I291	S101-K117 VanDerWaalsContact O-CB 3.25Å; S101-K117 WeakPolarHBondContact O-CB 3.42Å; P103-K117 HydrophobicContact CB-CB 4.31Å; P103-K117 HydrophobicContact CB-CD 3.93Å; P103-K117 HydrophobicContact CB-CG 4.1Å; P103-K117 HydrophobicContact CG-CD 4.07Å; K117-H119 PolarHBondContact O-N 2.86Å; K117-Y284 PolarHBondContact NZ-OH 2.88Å; K117-I291 HydrophobicContact CB-CD1 4.17Å; K117-I291 HydrophobicContact CG-CD1 4.13Å
118	P	80.2	Confident	86.7	Confident	12 Å²	12	24.6 Å²	24.6	8%	0.078	14%	0.138	C	C	.	.			trans	-58	129.5	-178.2	-20.3	28.7	0	0	0	112.2	S120 H265 R342 P344	P118-S120 PolarHBondContact O-N 3.41Å; P118-S120 VanDerWaalsContact O-N 3.12Å; P118-H265 HydrophobicContact CG-CB 4.36Å; P118-R342 WeakPolarHBondContact CA-O 3.4Å; P118-R342 HydrophobicContact CG-CG 4.11Å; P118-P344 HydrophobicContact CB-CB 3.83Å; P118-P344 HydrophobicContact CB-CG 4.32Å
119	H	69.3	Low	87.1	Confident	39 Å²	39	21.8 Å²	21.8	18%	0.181	13%	0.126	C	C	.	.			trans	-81	92.6	175.4	-173.1	-82.3	0	0	0	109.6	K117 L121 A122 G123 V341	K117-H119 PolarHBondContact O-N 2.86Å; H119-L121 PolarHBondContact O-N 2.92Å; H119-A122 WeakPolarHBondContact ND1-CB 3.44Å; H119-A122 PolarHBondContact ND1-N 2.84Å; H119-G123 PolarHBondContact O-N 3.26Å; H119-G123 VanDerWaalsContact O-N 3.16Å; H119-V341 HydrophobicContact CB-CG1 3.89Å
120	S	73.3	Confident	87.2	Confident	59 Å²	59	21.7 Å²	21.7	41%	0.413	13%	0.127	S	C	.	.	H	α-helix	trans	-61.5	-35.7	-167.8	58.5	0	0	0	0	114.1	P118 T124 Y346	P118-S120 PolarHBondContact O-N 3.41Å; P118-S120 VanDerWaalsContact O-N 3.12Å; S120-T124 VanDerWaalsContact O-CB 3.27Å; S120-T124 WeakPolarHBondContact O-CB 3.34Å; S120-T124 PolarHBondContact O-N 3.38Å; S120-T124 PolarHBondContact O-OG1 2.84Å; S120-Y346 PolarHBondContact O-OH 3.11Å
121	L	83.7	Confident	87.2	Confident	52 Å²	52	18.9 Å²	18.9	27%	0.272	11%	0.114	S	C	.	.	H	α-helix	trans	-67	-53.7	-175.8	-65.8	173.6	0	0	0	112.3	H119 G123 T124 A125 T151 A154 I155 M158	H119-L121 PolarHBondContact O-N 2.92Å; L121-G123 PolarHBondContact O-N 2.95Å; L121-T124 PolarHBondContact O-N 3.36Å; L121-A125 PolarHBondContact O-N 2.92Å; L121-T151 HydrophobicContact CD2-CG2 3.7Å; L121-A154 HydrophobicContact CD1-CB 4.46Å; L121-I155 HydrophobicContact CD2-CD1 4.5Å; L121-I155 HydrophobicContact CD2-CG1 4.49Å; L121-M158 HydrophobicContact CB-CE 3.73Å
122	A	81	Confident	87.3	Confident	29 Å²	29	15.1 Å²	15.1	24%	0.24	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-44.5	176.9	0	0	0	0	0	111.7	H119 T124 A125 E126 M158	H119-A122 WeakPolarHBondContact ND1-CB 3.44Å; H119-A122 PolarHBondContact ND1-N 2.84Å; A122-T124 VanDerWaalsContact C-N 3.33Å; A122-T124 PolarHBondContact O-N 3.4Å; A122-A125 PolarHBondContact O-N 3.08Å; A122-E126 WeakPolarHBondContact O-CG 3.47Å; A122-E126 PolarHBondContact O-N 2.9Å; A122-M158 VanDerWaalsContact CA-SD 3.51Å; A122-M158 HydrophobicContact CB-SD 3.91Å
123	G	85.1	Confident	87.2	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-39.6	174.7	0	0	0	0	0	112.9	H119 L121 E126 V127	H119-G123 PolarHBondContact O-N 3.26Å; H119-G123 VanDerWaalsContact O-N 3.16Å; L121-G123 PolarHBondContact O-N 2.95Å; G123-E126 PolarHBondContact O-N 3.24Å; G123-V127 VanDerWaalsContact O-CB 3.25Å; G123-V127 WeakPolarHBondContact O-CB 3.39Å; G123-V127 WeakPolarHBondContact O-CG2 3.38Å; G123-V127 PolarHBondContact O-N 2.91Å
124	T	89.3	Confident	87	Confident	11 Å²	11	23 Å²	23	7%	0.067	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-43.9	176.6	-55	0	0	0	0	111	S120 L121 A122 V127 I128 I155 F193 V221 Y346	S120-T124 VanDerWaalsContact O-CB 3.27Å; S120-T124 WeakPolarHBondContact O-CB 3.34Å; S120-T124 PolarHBondContact O-N 3.38Å; S120-T124 PolarHBondContact O-OG1 2.84Å; L121-T124 PolarHBondContact O-N 3.36Å; A122-T124 VanDerWaalsContact C-N 3.33Å; A122-T124 PolarHBondContact O-N 3.4Å; T124-V127 PolarHBondContact O-N 2.83Å; T124-I128 HydrophobicContact CG2-CD1 3.8Å; T124-I128 HydrophobicContact CG2-CG1 4.41Å; T124-I128 WeakPolarHBondContact O-CB 3.48Å; T124-I128 WeakPolarHBondContact O-CD1 3.47Å; T124-I128 VanDerWaalsContact O-CG1 3.25Å; T124-I128 WeakPolarHBondContact O-CG1 3.48Å; T124-I128 PolarHBondContact O-N 3.46Å; T124-I155 HydrophobicContact CG2-CD1 3.65Å; T124-F193 HydrophobicContact CG2-CE1 4.3Å; T124-F193 HydrophobicContact CG2-CZ 4.44Å; T124-V221 HydrophobicContact CG2-CG1 3.87Å; T124-Y346 PolarHBondContact OG1-OH 3.28Å
125	A	89.3	Confident	86.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-48.9	176.5	0	0	0	0	0	111.4	L121 A122 V127 I128 L129 I155 M158 L159	L121-A125 PolarHBondContact O-N 2.92Å; A122-A125 PolarHBondContact O-N 3.08Å; A125-V127 VanDerWaalsContact C-N 3.3Å; A125-V127 PolarHBondContact O-N 3.16Å; A125-I128 PolarHBondContact O-N 3.24Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 2.83Å; A125-I155 HydrophobicContact CB-CG2 4.16Å; A125-M158 HydrophobicContact CB-CB 3.73Å; A125-M158 HydrophobicContact CB-SD 4.45Å; A125-L159 HydrophobicContact CB-CD2 4.33Å; A125-L159 HydrophobicContact CB-CG 4.2Å; A125-L159 WeakPolarHBondContact O-CD2 3.15Å
126	E	87.7	Confident	86.6	Confident	33 Å²	33	33 Å²	33	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-35.1	178.8	-69.4	-179.6	-178.1	0	0	112.7	A122 G123 L129 A130 Q162 Y379	A122-E126 WeakPolarHBondContact O-CG 3.47Å; A122-E126 PolarHBondContact O-N 2.9Å; G123-E126 PolarHBondContact O-N 3.24Å; E126-L129 PolarHBondContact O-N 2.78Å; E126-A130 WeakPolarHBondContact O-CB 3.41Å; E126-A130 PolarHBondContact O-N 2.94Å; E126-Q162 PolarHBondContact OE1-NE2 2.96Å; E126-Y379 HydrophobicContact CB-CD2 3.52Å; E126-Y379 HydrophobicContact CB-CE2 3.69Å; E126-Y379 VanDerWaalsContact OE2-CE2 3.24Å; E126-Y379 WeakPolarHBondContact OE2-CE2 3.23Å
127	V	91	Very high	86.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-43.9	175.8	164.6	0	0	0	0	111.8	G123 T124 A125 L129 A130 M131 L261 Y346 V362 Y379	G123-V127 VanDerWaalsContact O-CB 3.25Å; G123-V127 WeakPolarHBondContact O-CB 3.39Å; G123-V127 WeakPolarHBondContact O-CG2 3.38Å; G123-V127 PolarHBondContact O-N 2.91Å; T124-V127 PolarHBondContact O-N 2.83Å; A125-V127 VanDerWaalsContact C-N 3.3Å; A125-V127 PolarHBondContact O-N 3.16Å; V127-L129 VanDerWaalsContact C-N 3.25Å; V127-L129 PolarHBondContact O-N 2.94Å; V127-A130 PolarHBondContact O-N 3.17Å; V127-M131 WeakPolarHBondContact O-CB 3.47Å; V127-M131 PolarHBondContact O-N 2.94Å; V127-L261 HydrophobicContact CG1-CD1 4.13Å; V127-L261 HydrophobicContact CG1-CD2 3.84Å; V127-L261 HydrophobicContact CG1-CG 4.48Å; V127-Y346 HydrophobicContact CB-CD2 4.23Å; V127-Y346 HydrophobicContact CB-CE2 4.45Å; V127-Y346 HydrophobicContact CB-CG 4.48Å; V127-Y346 HydrophobicContact CG1-CD1 4.26Å; V127-Y346 HydrophobicContact CG1-CD2 4.14Å; V127-Y346 HydrophobicContact CG1-CG 3.91Å; V127-Y346 HydrophobicContact CG2-CD2 3.47Å; V127-Y346 VanDerWaalsContact CG2-CD2 3.47Å; V127-Y346 HydrophobicContact CG2-CE2 3.8Å; V127-Y346 HydrophobicContact CG2-CG 4.1Å; V127-V362 HydrophobicContact CB-CG1 4.32Å; V127-V362 HydrophobicContact CG1-CB 3.99Å; V127-V362 HydrophobicContact CG1-CG1 3.95Å; V127-V362 HydrophobicContact CG1-CG2 4.05Å; V127-V362 HydrophobicContact CG2-CB 4.37Å; V127-V362 HydrophobicContact CG2-CG1 4.01Å; V127-Y379 HydrophobicContact CG2-CD1 3.51Å; V127-Y379 HydrophobicContact CG2-CD2 4.34Å; V127-Y379 HydrophobicContact CG2-CE1 3.42Å; V127-Y379 VanDerWaalsContact CG2-CE1 3.42Å; V127-Y379 HydrophobicContact CG2-CE2 4.27Å; V127-Y379 HydrophobicContact CG2-CG 3.95Å
128	I	92.6	Very high	86.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-41.9	173.7	-71.1	162.8	0	0	0	109.5	T124 A125 M131 C132 I140 I155 L159 I191 F193 V221	T124-I128 HydrophobicContact CG2-CD1 3.8Å; T124-I128 HydrophobicContact CG2-CG1 4.41Å; T124-I128 WeakPolarHBondContact O-CB 3.48Å; T124-I128 WeakPolarHBondContact O-CD1 3.47Å; T124-I128 VanDerWaalsContact O-CG1 3.25Å; T124-I128 WeakPolarHBondContact O-CG1 3.48Å; T124-I128 PolarHBondContact O-N 3.46Å; A125-I128 PolarHBondContact O-N 3.24Å; I128-M131 PolarHBondContact O-N 2.72Å; I128-C132 WeakPolarHBondContact O-CB 3.42Å; I128-C132 PolarHBondContact O-N 3.07Å; I128-C132 PolarHBondContact O-SG 2.88Å; I128-I140 HydrophobicContact CG2-CD1 4.3Å; I128-I155 HydrophobicContact CD1-CG2 3.86Å; I128-L159 HydrophobicContact CB-CD2 4.41Å; I128-L159 HydrophobicContact CG2-CD1 3.99Å; I128-L159 HydrophobicContact CG2-CD2 4.28Å; I128-I191 HydrophobicContact CD1-CG2 3.9Å; I128-I191 HydrophobicContact CG1-CG2 4.37Å; I128-I191 HydrophobicContact CG2-CD1 4.45Å; I128-I191 HydrophobicContact CG2-CG1 4.23Å; I128-F193 HydrophobicContact CD1-CE2 4.49Å; I128-F193 HydrophobicContact CD1-CZ 3.82Å; I128-V221 HydrophobicContact CD1-CG2 4.45Å
129	L	90.3	Very high	87.1	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-46.2	177.4	-175.1	61.4	0	0	0	112	A125 E126 V127 M131 C132 K133 L159 Q162 E163 L166	A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 2.83Å; E126-L129 PolarHBondContact O-N 2.78Å; V127-L129 VanDerWaalsContact C-N 3.25Å; V127-L129 PolarHBondContact O-N 2.94Å; L129-M131 VanDerWaalsContact C-N 3.32Å; L129-M131 PolarHBondContact O-N 3.33Å; L129-C132 PolarHBondContact O-N 2.82Å; L129-K133 HydrophobicContact CG-CD 4.43Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 2.65Å; L129-L159 HydrophobicContact CB-CD2 3.9Å; L129-Q162 HydrophobicContact CD2-CB 3.95Å; L129-E163 HydrophobicContact CD1-CB 3.65Å; L129-E163 HydrophobicContact CD1-CG 3.91Å; L129-E163 HydrophobicContact CD2-CB 4.31Å; L129-L166 HydrophobicContact CD1-CD2 4.19Å
130	A	89.9	Confident	88.2	Confident	13 Å²	13	36.5 Å²	36.5	11%	0.107	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-40	176.7	0	0	0	0	0	112.2	E126 V127 K133 S134 V362	E126-A130 WeakPolarHBondContact O-CB 3.41Å; E126-A130 PolarHBondContact O-N 2.94Å; V127-A130 PolarHBondContact O-N 3.17Å; A130-K133 PolarHBondContact O-N 3.01Å; A130-S134 WeakPolarHBondContact O-CB 3.27Å; A130-S134 PolarHBondContact O-N 3.46Å; A130-V362 HydrophobicContact CB-CG1 4.34Å
131	M	91.8	Very high	89.1	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-49.7	172.6	177.8	-169.8	74.2	0	0	111.5	V127 I128 L129 K133 S134 M135 W137 I191 V219 M348 F381	V127-M131 WeakPolarHBondContact O-CB 3.47Å; V127-M131 PolarHBondContact O-N 2.94Å; I128-M131 PolarHBondContact O-N 2.72Å; L129-M131 VanDerWaalsContact C-N 3.32Å; L129-M131 PolarHBondContact O-N 3.33Å; M131-K133 VanDerWaalsContact C-N 3.27Å; M131-K133 PolarHBondContact O-N 3.38Å; M131-S134 PolarHBondContact O-N 3.32Å; M131-S134 VanDerWaalsContact O-N 3.16Å; M131-M135 HydrophobicContact CG-CG 4.17Å; M131-M135 WeakPolarHBondContact O-CB 3.18Å; M131-M135 VanDerWaalsContact O-CG 3.3Å; M131-M135 WeakPolarHBondContact O-CG 3.35Å; M131-M135 PolarHBondContact O-N 3.08Å; M131-W137 HydrophobicContact CE-CE3 4.41Å; M131-W137 HydrophobicContact CE-CZ3 4Å; M131-I191 HydrophobicContact CE-CD1 3.47Å; M131-I191 VanDerWaalsContact CE-CD1 3.47Å; M131-V219 HydrophobicContact CE-CB 4.36Å; M131-V219 HydrophobicContact CE-CG1 4.27Å; M131-V219 HydrophobicContact CE-CG2 4.06Å; M131-V219 HydrophobicContact SD-CB 4.42Å; M131-V219 HydrophobicContact SD-CG1 3.93Å; M131-V219 HydrophobicContact SD-CG2 3.93Å; M131-M348 HydrophobicContact CG-CE 4.35Å; M131-M348 HydrophobicContact SD-CE 3.42Å; M131-M348 WeakPolarHBondContact SD-CE 3.47Å; M131-F381 HydrophobicContact CB-CD2 3.69Å; M131-F381 HydrophobicContact CB-CE2 3.73Å; M131-F381 HydrophobicContact CG-CD2 4.09Å; M131-F381 HydrophobicContact CG-CE2 3.63Å; M131-F381 HydrophobicContact CG-CZ 4.16Å
132	C	91.5	Very high	89.5	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-40.9	178.7	-68.2	0	0	0	0	111.1	I128 L129 M135 K136 W137 L166	I128-C132 WeakPolarHBondContact O-CB 3.42Å; I128-C132 PolarHBondContact O-N 3.07Å; I128-C132 PolarHBondContact O-SG 2.88Å; L129-C132 PolarHBondContact O-N 2.82Å; C132-M135 PolarHBondContact O-N 3.05Å; C132-K136 CarbonylContact O-C 3.6Å; C132-K136 WeakPolarHBondContact O-CA 3.45Å; C132-K136 PolarHBondContact O-N 2.76Å; C132-W137 HydrophobicContact CB-CB 4.22Å; C132-W137 PolarHBondContact O-N 3.39Å; C132-L166 HydrophobicContact CB-CD1 4.33Å; C132-L166 HydrophobicContact CB-CD2 4.48Å
133	K	88.7	Confident	90	Very high	119 Å²	119	29.8 Å²	29.8	52%	0.517	14%	0.142	S	C	.	.	H	α-helix	trans	-61.9	-47.4	174.4	-74.8	178.1	178.8	179.1	0	112.2	L129 A130 M131 K136 E163	L129-K133 HydrophobicContact CG-CD 4.43Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 2.65Å; A130-K133 PolarHBondContact O-N 3.01Å; M131-K133 VanDerWaalsContact C-N 3.27Å; M131-K133 PolarHBondContact O-N 3.38Å; K133-K136 PolarHBondContact O-N 3.34Å; K133-E163 WeakPolarHBondContact CE-OE2 3.47Å; K133-E163 IonicContact NZ-OE2 3.09Å; K133-E163 PolarHBondContact NZ-OE2 3.4Å
134	S	89.2	Confident	90.4	Very high	52 Å²	52	30.6 Å²	30.6	36%	0.364	15%	0.145	S	C	.	.	H	α-helix	trans	-63.9	-42.1	178.4	-174.2	0	0	0	0	112.4	A130 M131 K136 F381	A130-S134 WeakPolarHBondContact O-CB 3.27Å; A130-S134 PolarHBondContact O-N 3.46Å; M131-S134 PolarHBondContact O-N 3.32Å; M131-S134 VanDerWaalsContact O-N 3.16Å; S134-K136 PolarHBondContact O-N 3.1Å; S134-F381 VanDerWaalsContact OG-CD1 3.28Å; S134-F381 WeakPolarHBondContact OG-CD1 3.46Å
135	M	88.6	Confident	90.3	Very high	44 Å²	44	30.2 Å²	30.2	22%	0.217	14%	0.143	C	C	.	.	H	α-helix	trans	-80	-3.8	179	-62.2	-60.9	-74.1	0	0	113.1	M131 C132 W137 L388 L391	M131-M135 HydrophobicContact CG-CG 4.17Å; M131-M135 WeakPolarHBondContact O-CB 3.18Å; M131-M135 VanDerWaalsContact O-CG 3.3Å; M131-M135 WeakPolarHBondContact O-CG 3.35Å; M131-M135 PolarHBondContact O-N 3.08Å; C132-M135 PolarHBondContact O-N 3.05Å; M135-W137 HydrophobicContact CB-CD2 3.98Å; M135-W137 HydrophobicContact CB-CG 3.92Å; M135-W137 HydrophobicContact CE-CZ2 4.23Å; M135-W137 PolarHBondContact O-N 3.47Å; M135-L388 HydrophobicContact CE-CD2 4.48Å; M135-L388 HydrophobicContact CE-CG 4.08Å; M135-L388 HydrophobicContact SD-CD2 3.71Å; M135-L388 HydrophobicContact SD-CG 3.97Å; M135-L391 HydrophobicContact CE-CB 4.37Å; M135-L391 HydrophobicContact CE-CD1 4.27Å
136	K	88.4	Confident	90.2	Very high	167 Å²	167	35.4 Å²	35.4	73%	0.726	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	31.8	-175	-54.9	176.6	-178.1	172.5	0	113.4	C132 K133 S134 Y394	C132-K136 CarbonylContact O-C 3.6Å; C132-K136 WeakPolarHBondContact O-CA 3.45Å; C132-K136 PolarHBondContact O-N 2.76Å; K133-K136 PolarHBondContact O-N 3.34Å; S134-K136 PolarHBondContact O-N 3.1Å; K136-Y394 WeakPolarHBondContact O-CD1 3.49Å; K136-Y394 WeakPolarHBondContact O-CE1 3.26Å
137	W	90.5	Very high	90.1	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.045	19%	0.194	C	C	.	.			trans	-79.6	126.8	176.4	-66.5	-0.8	0	0	0	110.6	M131 C132 M135 I140 A189 I191 V219 Y394	M131-W137 HydrophobicContact CE-CE3 4.41Å; M131-W137 HydrophobicContact CE-CZ3 4Å; C132-W137 HydrophobicContact CB-CB 4.22Å; C132-W137 PolarHBondContact O-N 3.39Å; M135-W137 HydrophobicContact CB-CD2 3.98Å; M135-W137 HydrophobicContact CB-CG 3.92Å; M135-W137 HydrophobicContact CE-CZ2 4.23Å; M135-W137 PolarHBondContact O-N 3.47Å; W137-I140 HydrophobicContact CB-CG2 4.31Å; W137-I140 HydrophobicContact CE3-CG2 4.01Å; W137-A189 HydrophobicContact CD2-CB 3.65Å; W137-A189 HydrophobicContact CE3-CB 3.52Å; W137-A189 HydrophobicContact CG-CB 4.32Å; W137-A189 HydrophobicContact CH2-CB 4.01Å; W137-A189 HydrophobicContact CZ2-CB 4.13Å; W137-A189 HydrophobicContact CZ3-CB 3.7Å; W137-I191 HydrophobicContact CZ3-CD1 4.27Å; W137-V219 HydrophobicContact CH2-CG2 3.85Å; W137-V219 HydrophobicContact CZ3-CG2 4.01Å; W137-Y394 HydrophobicContact CB-CD1 4.27Å; W137-Y394 HydrophobicContact CB-CG 4.18Å; W137-Y394 AromaticContact CD1-CD1 3.71Å; W137-Y394 AromaticContact CD1-CG 4Å; W137-Y394 HydrophobicContact CG-CD1 4.24Å; W137-Y394 HydrophobicContact CG-CG 4.21Å
138	K	88.8	Confident	90	Very high	129 Å²	129	41.7 Å²	41.7	56%	0.561	20%	0.198	S	C	*	.			trans	-112.6	-8.9	176.9	-56.9	-170	175.6	-166.3	0	113.6	K167 Y394	K138-K167 PolarHBondContact O-N 3.12Å; K138-Y394 HydrophobicContact CB-CE2 3.76Å; K138-Y394 WeakPolarHBondContact CB-OH 3.26Å; K138-Y394 HydrophobicContact CG-CE2 4.47Å; K138-Y394 WeakPolarHBondContact CG-OH 3.43Å
139	E	89.9	Confident	89.8	Confident	27 Å²	27	45.4 Å²	45.4	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.5	176.6	-178.6	172.9	-140.1	0	0	108.8	K167 Y394 Y400	E139-K167 CarbonylContact C-O 3.52Å; E139-K167 VanDerWaalsContact CA-O 3.29Å; E139-K167 WeakPolarHBondContact CA-O 3.29Å; E139-K167 HydrophobicContact CB-CB 4.29Å; E139-K167 HydrophobicContact CG-CB 4.25Å; E139-K167 HydrophobicContact CG-CD 4.21Å; E139-K167 HydrophobicContact CG-CG 4.35Å; E139-K167 WeakPolarHBondContact OE1-CD 3.31Å; E139-K167 VanDerWaalsContact OE1-CE 3.29Å; E139-K167 WeakPolarHBondContact OE1-CE 3.31Å; E139-K167 IonicContact OE1-NZ 2.96Å; E139-K167 PolarHBondContact OE1-NZ 3.2Å; E139-Y394 HydrophobicContact CB-CD2 3.94Å; E139-Y394 HydrophobicContact CB-CE2 4.14Å; E139-Y400 PolarHBondContact OE2-OH 3.11Å
140	I	92.2	Very high	89.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.7	179.3	61.4	167	0	0	0	111.1	I128 W137 L166 K167 I168 N169 A189 I191	I128-I140 HydrophobicContact CG2-CD1 4.3Å; W137-I140 HydrophobicContact CB-CG2 4.31Å; W137-I140 HydrophobicContact CE3-CG2 4.01Å; I140-L166 HydrophobicContact CD1-CD2 3.97Å; I140-L166 HydrophobicContact CD1-CG 4.46Å; I140-L166 HydrophobicContact CG1-CD1 4.23Å; I140-L166 HydrophobicContact CG1-CD2 4.39Å; I140-L166 HydrophobicContact CG1-CG 4.34Å; I140-L166 HydrophobicContact CG2-CD1 4.31Å; I140-K167 PolarHBondContact N-O 2.93Å; I140-I168 HydrophobicContact CD1-CG1 4.22Å; I140-I168 HydrophobicContact CD1-CG2 4.39Å; I140-I168 HydrophobicContact CG1-CB 4.42Å; I140-I168 HydrophobicContact CG1-CG1 4.05Å; I140-I168 HydrophobicContact CG1-CG2 4.22Å; I140-N169 PolarHBondContact O-N 3.06Å; I140-A189 CarbonylContact C-O 3.53Å; I140-A189 VanDerWaalsContact CA-O 3.32Å; I140-A189 WeakPolarHBondContact CA-O 3.49Å; I140-A189 HydrophobicContact CG2-CB 4.12Å; I140-I191 HydrophobicContact CD1-CG1 4.03Å
141	G	91.5	Very high	89.7	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.7	170.2	0	0	0	0	0	111	N169 A189 L190 I191	G141-N169 CarbonylContact C-O 3.51Å; G141-N169 VanDerWaalsContact CA-O 3.24Å; G141-N169 WeakPolarHBondContact CA-O 3.5Å; G141-A189 PolarHBondContact N-O 2.9Å; G141-L190 CarbonylContact O-C 3.53Å; G141-L190 WeakPolarHBondContact O-CA 3.47Å; G141-I191 PolarHBondContact O-N 2.9Å
142	I	93	Very high	89.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.6	170.7	-63.8	178.4	0	0	0	108.1	A152 L159 I168 N169 V170 F171 I191 F193	I142-A152 HydrophobicContact CG2-CB 4.06Å; I142-L159 HydrophobicContact CD1-CD1 4.11Å; I142-I168 HydrophobicContact CD1-CG2 3.55Å; I142-I168 HydrophobicContact CG1-CG2 3.83Å; I142-N169 PolarHBondContact N-O 3.01Å; I142-V170 HydrophobicContact CB-CG2 4.29Å; I142-V170 HydrophobicContact CD1-CG2 4.48Å; I142-V170 CarbonylContact O-C 3.59Å; I142-F171 PolarHBondContact O-N 2.62Å; I142-I191 CarbonylContact C-O 3.57Å; I142-I191 WeakPolarHBondContact CA-O 3.37Å; I142-I191 HydrophobicContact CG1-CB 4.39Å; I142-F193 HydrophobicContact CG2-CD2 3.75Å; I142-F193 HydrophobicContact CG2-CE2 3.83Å
143	I	91.9	Very high	89.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.8	175.8	64.4	179.7	0	0	0	109.6	F171 I183 L190 I191 F193 L194 F202	I143-F171 WeakPolarHBondContact CA-O 3.46Å; I143-F171 HydrophobicContact CG2-CB 4.26Å; I143-F171 HydrophobicContact CG2-CD2 4.19Å; I143-I183 HydrophobicContact CG2-CD1 4.03Å; I143-I183 HydrophobicContact CG2-CG1 4.31Å; I143-I183 HydrophobicContact CG2-CG2 4.06Å; I143-L190 HydrophobicContact CG2-CD2 4.43Å; I143-I191 PolarHBondContact N-O 3.33Å; I143-F193 PolarHBondContact O-N 2.93Å; I143-L194 HydrophobicContact CD1-CD1 3.75Å; I143-L194 HydrophobicContact CD1-CG 4.29Å; I143-L194 HydrophobicContact CG1-CD1 4.13Å; I143-L194 HydrophobicContact CG1-CG 4.13Å; I143-F202 HydrophobicContact CD1-CD1 4.19Å; I143-F202 HydrophobicContact CD1-CE1 3.98Å; I143-F202 HydrophobicContact CD1-CE2 4.4Å; I143-F202 HydrophobicContact CD1-CG 4.5Å; I143-F202 HydrophobicContact CD1-CZ 4.09Å
144	Y	91.7	Very high	89.6	Confident	18 Å²	18	54.5 Å²	54.5	7%	0.071	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.6	-175.5	67.9	-86.7	0	0	0	111.8	K149 A152 H153 V170 F171 L172 E173 L194	Y144-K149 VanDerWaalsContact CD2-CA 3.49Å; Y144-K149 HydrophobicContact CD2-CB 3.91Å; Y144-K149 HydrophobicContact CD2-CG 4.32Å; Y144-K149 HydrophobicContact CE2-CB 3.77Å; Y144-K149 HydrophobicContact CE2-CD 4.39Å; Y144-K149 HydrophobicContact CE2-CG 3.7Å; Y144-A152 VanDerWaalsContact CB-CB 3.42Å; Y144-A152 HydrophobicContact CD1-CB 3.86Å; Y144-A152 HydrophobicContact CD2-CB 4.35Å; Y144-A152 HydrophobicContact CG-CB 3.61Å; Y144-H153 AromaticContact CE1-NE2 3.87Å; Y144-H153 AromaticContact CZ-CD2 3.97Å; Y144-H153 AromaticContact CZ-NE2 3.38Å; Y144-H153 PolarHBondContact OH-NE2 3.46Å; Y144-V170 HydrophobicContact CD1-CG1 3.95Å; Y144-V170 HydrophobicContact CE1-CG1 3.4Å; Y144-F171 WeakPolarHBondContact CD1-O 3.47Å; Y144-F171 VanDerWaalsContact CE1-O 3.27Å; Y144-F171 WeakPolarHBondContact CE1-O 3.31Å; Y144-F171 PolarHBondContact N-O 2.89Å; Y144-L172 HydrophobicContact CD2-CD1 3.9Å; Y144-L172 HydrophobicContact CE1-CB 4.32Å; Y144-L172 HydrophobicContact CE2-CB 4.05Å; Y144-L172 HydrophobicContact CE2-CD1 3.42Å; Y144-L172 VanDerWaalsContact CE2-CD1 3.42Å; Y144-L172 HydrophobicContact CE2-CG 4.32Å; Y144-E173 PolarHBondContact O-N 3.48Å; Y144-L194 VanDerWaalsContact C-CD2 3.43Å
145	S	88.6	Confident	89.7	Confident	3 Å²	3	52 Å²	52	2%	0.021	24%	0.238	C	C	.	.			trans	-99.3	165.5	175.4	63.5	0	0	0	0	109.8	E147 T148 K149 D198	S145-E147 PolarHBondContact O-N 2.83Å; S145-E147 VanDerWaalsContact O-N 3.11Å; S145-T148 PolarHBondContact N-OG1 3.27Å; S145-T148 VanDerWaalsContact N-OG1 3.14Å; S145-T148 PolarHBondContact O-N 2.82Å; S145-T148 PolarHBondContact O-OG1 3.47Å; S145-T148 PolarHBondContact OG-OG1 2.99Å; S145-K149 PolarHBondContact O-N 3.18Å; S145-K149 VanDerWaalsContact O-N 3.08Å; S145-D198 WeakPolarHBondContact CB-OD2 3.46Å
146	E	86.5	Confident	89.8	Confident	109 Å²	109	53.8 Å²	53.8	51%	0.509	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.9	-32.7	177	-77.1	-64.5	160.9	0	0	112.7	K149 L172	E146-K149 WeakPolarHBondContact O-CB 3.47Å; E146-K149 IonicContact OE2-NZ 2.94Å; E146-L172 HydrophobicContact CG-CD1 4.09Å; E146-L172 WeakPolarHBondContact OE1-CD1 3.37Å; E146-L172 WeakPolarHBondContact OE1-CD2 3.42Å
147	E	86	Confident	89.9	Confident	154 Å²	154	50 Å²	50	72%	0.72	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-67.8	-33.1	177.6	-63.3	-176.7	-178.2	0	0	113.3	S145 T195	S145-E147 PolarHBondContact O-N 2.83Å; S145-E147 VanDerWaalsContact O-N 3.11Å; E147-T195 WeakPolarHBondContact OE2-CG2 3.37Å
148	T	88	Confident	89.8	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-104.5	7.9	-176	60.5	0	0	0	0	113.6	S145 Y150 T151 A152 F193 C223	S145-T148 PolarHBondContact N-OG1 3.27Å; S145-T148 VanDerWaalsContact N-OG1 3.14Å; S145-T148 PolarHBondContact O-N 2.82Å; S145-T148 PolarHBondContact O-OG1 3.47Å; S145-T148 PolarHBondContact OG-OG1 2.99Å; T148-Y150 PolarHBondContact O-N 3.36Å; T148-T151 WeakPolarHBondContact O-CB 3.33Å; T148-T151 PolarHBondContact O-N 2.94Å; T148-T151 VanDerWaalsContact O-N 3.17Å; T148-A152 PolarHBondContact O-N 2.88Å; T148-F193 WeakPolarHBondContact CB-O 3.37Å; T148-F193 WeakPolarHBondContact CG2-O 3.38Å; T148-F193 PolarHBondContact OG1-O 3.16Å; T148-C223 HydrophobicContact CG2-CB 4.48Å
149	K	89.2	Confident	89.8	Confident	78 Å²	78	45.4 Å²	45.4	34%	0.339	21%	0.212	S	C	.	.	H	α-helix	trans	-49.6	-52.9	-179.6	180	175.8	-176.3	172.5	0	113.5	Y144 S145 E146 T151 A152 H153	Y144-K149 VanDerWaalsContact CD2-CA 3.49Å; Y144-K149 HydrophobicContact CD2-CB 3.91Å; Y144-K149 HydrophobicContact CD2-CG 4.32Å; Y144-K149 HydrophobicContact CE2-CB 3.77Å; Y144-K149 HydrophobicContact CE2-CD 4.39Å; Y144-K149 HydrophobicContact CE2-CG 3.7Å; S145-K149 PolarHBondContact O-N 3.18Å; S145-K149 VanDerWaalsContact O-N 3.08Å; E146-K149 WeakPolarHBondContact O-CB 3.47Å; E146-K149 IonicContact OE2-NZ 2.94Å; K149-T151 VanDerWaalsContact C-N 3.31Å; K149-T151 PolarHBondContact O-N 3.29Å; K149-A152 PolarHBondContact O-N 3.41Å; K149-H153 WeakPolarHBondContact O-CB 3.34Å; K149-H153 PolarHBondContact O-CD2 3.37Å; K149-H153 PolarHBondContact O-N 3.41Å
150	Y	89.3	Confident	89.7	Confident	200 Å²	200	46.1 Å²	46.1	78%	0.784	22%	0.223	S	C	*	.	H	α-helix	trans	-62	-40.6	-177.6	-66.2	-71.8	0	0	0	112.2	T148 A154	T148-Y150 PolarHBondContact O-N 3.36Å; Y150-A154 VanDerWaalsContact O-CB 3.27Å; Y150-A154 WeakPolarHBondContact O-CB 3.35Å; Y150-A154 PolarHBondContact O-N 3.45Å
151	T	88.6	Confident	89.3	Confident	47 Å²	47	53.2 Å²	53.2	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-49.1	176.6	-59.4	0	0	0	0	111.4	L121 T148 K149 A154 I155 F193	L121-T151 HydrophobicContact CD2-CG2 3.7Å; T148-T151 WeakPolarHBondContact O-CB 3.33Å; T148-T151 PolarHBondContact O-N 2.94Å; T148-T151 VanDerWaalsContact O-N 3.17Å; K149-T151 VanDerWaalsContact C-N 3.31Å; K149-T151 PolarHBondContact O-N 3.29Å; T151-A154 PolarHBondContact O-N 3.45Å; T151-I155 HydrophobicContact CG2-CD1 3.88Å; T151-I155 WeakPolarHBondContact O-CB 3.45Å; T151-I155 WeakPolarHBondContact O-CG1 3.48Å; T151-I155 PolarHBondContact O-N 3.38Å; T151-F193 HydrophobicContact CG2-CD1 4.19Å; T151-F193 HydrophobicContact CG2-CE1 4.31Å
152	A	89.8	Confident	88.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-42.3	-178.5	0	0	0	0	0	112.4	I142 Y144 T148 K149 I155 Y156 F193	I142-A152 HydrophobicContact CG2-CB 4.06Å; Y144-A152 VanDerWaalsContact CB-CB 3.42Å; Y144-A152 HydrophobicContact CD1-CB 3.86Å; Y144-A152 HydrophobicContact CD2-CB 4.35Å; Y144-A152 HydrophobicContact CG-CB 3.61Å; T148-A152 PolarHBondContact O-N 2.88Å; K149-A152 PolarHBondContact O-N 3.41Å; A152-I155 PolarHBondContact O-N 3.19Å; A152-Y156 WeakPolarHBondContact O-CB 3.34Å; A152-Y156 PolarHBondContact O-N 3.19Å; A152-F193 HydrophobicContact CB-CB 4.46Å; A152-F193 HydrophobicContact CB-CD2 4.11Å; A152-F193 HydrophobicContact CB-CG 4.34Å
153	H	90.6	Very high	87.8	Confident	66 Å²	66	58.8 Å²	58.8	31%	0.306	28%	0.282	S	S	.	.	H	α-helix	trans	-67.2	-42.6	176.4	-82.6	-79.6	0	0	0	112.2	Y144 K149 I155 Y156 D157	Y144-H153 AromaticContact CE1-NE2 3.87Å; Y144-H153 AromaticContact CZ-CD2 3.97Å; Y144-H153 AromaticContact CZ-NE2 3.38Å; Y144-H153 PolarHBondContact OH-NE2 3.46Å; K149-H153 WeakPolarHBondContact O-CB 3.34Å; K149-H153 PolarHBondContact O-CD2 3.37Å; K149-H153 PolarHBondContact O-N 3.41Å; H153-I155 VanDerWaalsContact C-N 3.32Å; H153-I155 PolarHBondContact O-N 2.88Å; H153-Y156 WeakPolarHBondContact O-CB 3.49Å; H153-Y156 PolarHBondContact O-N 3.42Å; H153-D157 PolarHBondContact O-N 3.49Å
154	A	89.5	Confident	87	Confident	27 Å²	27	66.4 Å²	66.4	22%	0.223	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-39.6	176.1	0	0	0	0	0	112.3	L121 Y150 T151 M158	L121-A154 HydrophobicContact CD1-CB 4.46Å; Y150-A154 VanDerWaalsContact O-CB 3.27Å; Y150-A154 WeakPolarHBondContact O-CB 3.35Å; Y150-A154 PolarHBondContact O-N 3.45Å; T151-A154 PolarHBondContact O-N 3.45Å; A154-M158 HydrophobicContact CB-CE 3.97Å; A154-M158 VanDerWaalsContact O-CE 3.31Å; A154-M158 WeakPolarHBondContact O-CE 3.36Å; A154-M158 VanDerWaalsContact O-CG 3.31Å; A154-M158 WeakPolarHBondContact O-CG 3.48Å; A154-M158 PolarHBondContact O-N 3Å; A154-M158 VanDerWaalsContact O-N 3.08Å
155	I	91	Very high	86.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.9	-40.8	175.8	-71.6	168.1	0	0	0	110.9	L121 T124 A125 I128 T151 A152 H153 M158 L159 F193	L121-I155 HydrophobicContact CD2-CD1 4.5Å; L121-I155 HydrophobicContact CD2-CG1 4.49Å; T124-I155 HydrophobicContact CG2-CD1 3.65Å; A125-I155 HydrophobicContact CB-CG2 4.16Å; I128-I155 HydrophobicContact CD1-CG2 3.86Å; T151-I155 HydrophobicContact CG2-CD1 3.88Å; T151-I155 WeakPolarHBondContact O-CB 3.45Å; T151-I155 WeakPolarHBondContact O-CG1 3.48Å; T151-I155 PolarHBondContact O-N 3.38Å; A152-I155 PolarHBondContact O-N 3.19Å; H153-I155 VanDerWaalsContact C-N 3.32Å; H153-I155 PolarHBondContact O-N 2.88Å; I155-M158 PolarHBondContact O-N 3.44Å; I155-L159 HydrophobicContact CG2-CD1 3.76Å; I155-L159 HydrophobicContact CG2-CG 4.19Å; I155-L159 WeakPolarHBondContact O-CB 3.34Å; I155-L159 VanDerWaalsContact O-CG 3.27Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 2.86Å; I155-F193 HydrophobicContact CB-CZ 4.46Å; I155-F193 HydrophobicContact CD1-CD1 4.42Å; I155-F193 HydrophobicContact CD1-CE1 3.36Å; I155-F193 HydrophobicContact CD1-CE2 4.46Å; I155-F193 HydrophobicContact CD1-CZ 3.39Å; I155-F193 HydrophobicContact CG2-CZ 4.16Å
156	Y	92.1	Very high	86.5	Confident	81 Å²	81	72.1 Å²	72.1	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-56.3	-50	172.9	163.9	-99.5	0	0	0	111.5	A152 H153 M158 L159 A160 I168 V170	A152-Y156 WeakPolarHBondContact O-CB 3.34Å; A152-Y156 PolarHBondContact O-N 3.19Å; H153-Y156 WeakPolarHBondContact O-CB 3.49Å; H153-Y156 PolarHBondContact O-N 3.42Å; Y156-M158 VanDerWaalsContact C-N 3.32Å; Y156-M158 PolarHBondContact O-N 2.81Å; Y156-L159 PolarHBondContact O-N 3.2Å; Y156-A160 VanDerWaalsContact O-CB 3.31Å; Y156-A160 WeakPolarHBondContact O-CB 3.43Å; Y156-A160 PolarHBondContact O-N 3.46Å; Y156-I168 HydrophobicContact CD2-CB 4.12Å; Y156-I168 HydrophobicContact CD2-CG2 3.71Å; Y156-I168 HydrophobicContact CE2-CB 4.15Å; Y156-I168 HydrophobicContact CE2-CG2 4.19Å; Y156-V170 HydrophobicContact CD1-CG2 4.41Å; Y156-V170 HydrophobicContact CD2-CG2 3.19Å; Y156-V170 HydrophobicContact CE2-CG2 3.71Å; Y156-V170 HydrophobicContact CG-CG2 3.58Å
157	D	90	Very high	86.6	Confident	88 Å²	88	72.4 Å²	72.4	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-43.5	179.6	-69.6	-23.5	0	0	0	111.1	H153 A160 E161	H153-D157 PolarHBondContact O-N 3.49Å; D157-A160 PolarHBondContact O-N 2.89Å; D157-E161 WeakPolarHBondContact O-CG 3.34Å; D157-E161 PolarHBondContact O-N 3.23Å
158	M	87.6	Confident	86.8	Confident	44 Å²	44	66.1 Å²	66.1	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-40	177.4	-71.5	-178	-121.2	0	0	113.1	L121 A122 A125 A154 I155 Y156 E161 Q162	L121-M158 HydrophobicContact CB-CE 3.73Å; A122-M158 VanDerWaalsContact CA-SD 3.51Å; A122-M158 HydrophobicContact CB-SD 3.91Å; A125-M158 HydrophobicContact CB-CB 3.73Å; A125-M158 HydrophobicContact CB-SD 4.45Å; A154-M158 HydrophobicContact CB-CE 3.97Å; A154-M158 VanDerWaalsContact O-CE 3.31Å; A154-M158 WeakPolarHBondContact O-CE 3.36Å; A154-M158 VanDerWaalsContact O-CG 3.31Å; A154-M158 WeakPolarHBondContact O-CG 3.48Å; A154-M158 PolarHBondContact O-N 3Å; A154-M158 VanDerWaalsContact O-N 3.08Å; I155-M158 PolarHBondContact O-N 3.44Å; Y156-M158 VanDerWaalsContact C-N 3.32Å; Y156-M158 PolarHBondContact O-N 2.81Å; M158-E161 PolarHBondContact O-N 3.31Å; M158-Q162 VanDerWaalsContact O-CG 3.31Å; M158-Q162 WeakPolarHBondContact O-CG 3.37Å; M158-Q162 PolarHBondContact O-N 2.94Å
159	L	89.5	Confident	86.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-42.6	176.5	-73.9	171	0	0	0	111.3	A125 I128 L129 I142 I155 Y156 E161 Q162 E163 I168	A125-L159 HydrophobicContact CB-CD2 4.33Å; A125-L159 HydrophobicContact CB-CG 4.2Å; A125-L159 WeakPolarHBondContact O-CD2 3.15Å; I128-L159 HydrophobicContact CB-CD2 4.41Å; I128-L159 HydrophobicContact CG2-CD1 3.99Å; I128-L159 HydrophobicContact CG2-CD2 4.28Å; L129-L159 HydrophobicContact CB-CD2 3.9Å; I142-L159 HydrophobicContact CD1-CD1 4.11Å; I155-L159 HydrophobicContact CG2-CD1 3.76Å; I155-L159 HydrophobicContact CG2-CG 4.19Å; I155-L159 WeakPolarHBondContact O-CB 3.34Å; I155-L159 VanDerWaalsContact O-CG 3.27Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 2.86Å; Y156-L159 PolarHBondContact O-N 3.2Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 3.08Å; L159-Q162 PolarHBondContact O-N 3.45Å; L159-E163 PolarHBondContact O-N 2.81Å; L159-I168 HydrophobicContact CB-CD1 3.39Å; L159-I168 HydrophobicContact CD1-CD1 4.13Å; L159-I168 HydrophobicContact CG-CD1 4.38Å
160	A	87.4	Confident	86.7	Confident	43 Å²	43	65.5 Å²	65.5	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-30.7	177.6	0	0	0	0	0	112.6	Y156 D157	Y156-A160 VanDerWaalsContact O-CB 3.31Å; Y156-A160 WeakPolarHBondContact O-CB 3.43Å; Y156-A160 PolarHBondContact O-N 3.46Å; D157-A160 PolarHBondContact O-N 2.89Å
161	E	83.5	Confident	86.6	Confident	148 Å²	148	57.2 Å²	57.2	69%	0.692	30%	0.295	S	S	*	.	H	α-helix	trans	-74.2	-26.1	173.1	-78.6	-176.2	179.9	0	0	113.6	D157 M158 L159	D157-E161 WeakPolarHBondContact O-CG 3.34Å; D157-E161 PolarHBondContact O-N 3.23Å; M158-E161 PolarHBondContact O-N 3.31Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 3.08Å
162	Q	76.9	Confident	86.4	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-93.3	-32.5	-172.1	-75.4	-173.3	-1.1	0	0	114.4	E126 L129 M158 L159	E126-Q162 PolarHBondContact OE1-NE2 2.96Å; L129-Q162 HydrophobicContact CD2-CB 3.95Å; M158-Q162 VanDerWaalsContact O-CG 3.31Å; M158-Q162 WeakPolarHBondContact O-CG 3.37Å; M158-Q162 PolarHBondContact O-N 2.94Å; L159-Q162 PolarHBondContact O-N 3.45Å
163	E	75.4	Confident	85.7	Confident	49 Å²	49	57.7 Å²	57.7	23%	0.229	30%	0.295	C	S	.	.			trans	-145.4	105.9	-171	-164.8	77.8	-144.7	0	0	112.8	L129 K133 L159 D165 L166	L129-E163 HydrophobicContact CD1-CB 3.65Å; L129-E163 HydrophobicContact CD1-CG 3.91Å; L129-E163 HydrophobicContact CD2-CB 4.31Å; K133-E163 WeakPolarHBondContact CE-OE2 3.47Å; K133-E163 IonicContact NZ-OE2 3.09Å; K133-E163 PolarHBondContact NZ-OE2 3.4Å; L159-E163 PolarHBondContact O-N 2.81Å; E163-D165 VanDerWaalsContact C-N 3.26Å; E163-D165 HydrophobicContact CG-CB 4.42Å; E163-D165 PolarHBondContact O-N 2.96Å; E163-L166 HydrophobicContact CB-CB 4.41Å; E163-L166 HydrophobicContact CG-CB 4.22Å
164	D	76.2	Confident	84.8	Confident	160 Å²	160	57.2 Å²	57.2	86%	0.856	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-23	178.4	-66.9	-38.3	0	0	0	113.3	L166	D164-L166 VanDerWaalsContact C-N 3.34Å
165	D	82.2	Confident	83.3	Confident	126 Å²	126	62.4 Å²	62.4	67%	0.674	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-12.1	-175.8	-83.1	-5.1	0	0	0	113.6	E163	E163-D165 VanDerWaalsContact C-N 3.26Å; E163-D165 HydrophobicContact CG-CB 4.42Å; E163-D165 PolarHBondContact O-N 2.96Å
166	L	87.5	Confident	81.7	Confident	15 Å²	15	64.2 Å²	64.2	8%	0.079	34%	0.339	C	S	.	.			trans	-94.8	111.1	-179.9	-176.1	64.2	0	0	0	110	L129 C132 I140 E163 D164 I168	L129-L166 HydrophobicContact CD1-CD2 4.19Å; C132-L166 HydrophobicContact CB-CD1 4.33Å; C132-L166 HydrophobicContact CB-CD2 4.48Å; I140-L166 HydrophobicContact CD1-CD2 3.97Å; I140-L166 HydrophobicContact CD1-CG 4.46Å; I140-L166 HydrophobicContact CG1-CD1 4.23Å; I140-L166 HydrophobicContact CG1-CD2 4.39Å; I140-L166 HydrophobicContact CG1-CG 4.34Å; I140-L166 HydrophobicContact CG2-CD1 4.31Å; E163-L166 HydrophobicContact CB-CB 4.41Å; E163-L166 HydrophobicContact CG-CB 4.22Å; D164-L166 VanDerWaalsContact C-N 3.34Å; L166-I168 HydrophobicContact CD2-CD1 4.2Å; L166-I168 HydrophobicContact CD2-CG1 4.13Å; L166-I168 HydrophobicContact CG-CD1 4.42Å; L166-I168 HydrophobicContact CG-CG1 3.93Å; L166-I168 PolarHBondContact O-N 3.39Å
167	K	88.6	Confident	80	Confident	115 Å²	115	65.2 Å²	65.2	50%	0.5	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.6	174.3	-174.8	178.5	171.5	-153.9	0	110.1	K138 E139 I140	K138-K167 PolarHBondContact O-N 3.12Å; E139-K167 CarbonylContact C-O 3.52Å; E139-K167 VanDerWaalsContact CA-O 3.29Å; E139-K167 WeakPolarHBondContact CA-O 3.29Å; E139-K167 HydrophobicContact CB-CB 4.29Å; E139-K167 HydrophobicContact CG-CB 4.25Å; E139-K167 HydrophobicContact CG-CD 4.21Å; E139-K167 HydrophobicContact CG-CG 4.35Å; E139-K167 WeakPolarHBondContact OE1-CD 3.31Å; E139-K167 VanDerWaalsContact OE1-CE 3.29Å; E139-K167 WeakPolarHBondContact OE1-CE 3.31Å; E139-K167 IonicContact OE1-NZ 2.96Å; E139-K167 PolarHBondContact OE1-NZ 3.2Å; I140-K167 PolarHBondContact N-O 2.93Å
168	I	89.5	Confident	78.6	Confident	22 Å²	22	65.3 Å²	65.3	11%	0.113	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.8	-177	-50.1	168	0	0	0	109.2	I140 I142 Y156 L159 L166 V170	I140-I168 HydrophobicContact CD1-CG1 4.22Å; I140-I168 HydrophobicContact CD1-CG2 4.39Å; I140-I168 HydrophobicContact CG1-CB 4.42Å; I140-I168 HydrophobicContact CG1-CG1 4.05Å; I140-I168 HydrophobicContact CG1-CG2 4.22Å; I142-I168 HydrophobicContact CD1-CG2 3.55Å; I142-I168 HydrophobicContact CG1-CG2 3.83Å; Y156-I168 HydrophobicContact CD2-CB 4.12Å; Y156-I168 HydrophobicContact CD2-CG2 3.71Å; Y156-I168 HydrophobicContact CE2-CB 4.15Å; Y156-I168 HydrophobicContact CE2-CG2 4.19Å; L159-I168 HydrophobicContact CB-CD1 3.39Å; L159-I168 HydrophobicContact CD1-CD1 4.13Å; L159-I168 HydrophobicContact CG-CD1 4.38Å; L166-I168 HydrophobicContact CD2-CD1 4.2Å; L166-I168 HydrophobicContact CD2-CG1 4.13Å; L166-I168 HydrophobicContact CG-CD1 4.42Å; L166-I168 HydrophobicContact CG-CG1 3.93Å; L166-I168 PolarHBondContact O-N 3.39Å; I168-V170 HydrophobicContact CG2-CG2 4.19Å
169	N	87.9	Confident	77.6	Confident	36 Å²	36	65.8 Å²	65.8	19%	0.193	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	171.7	-56.3	-53.2	0	0	0	109	I140 G141 I142 F171 S186	I140-N169 PolarHBondContact O-N 3.06Å; G141-N169 CarbonylContact C-O 3.51Å; G141-N169 VanDerWaalsContact CA-O 3.24Å; G141-N169 WeakPolarHBondContact CA-O 3.5Å; I142-N169 PolarHBondContact N-O 3.01Å; N169-F171 HydrophobicContact CB-CD2 4.48Å; N169-F171 HydrophobicContact CB-CE1 4.3Å; N169-F171 HydrophobicContact CB-CE2 3.42Å; N169-F171 VanDerWaalsContact CB-CE2 3.42Å; N169-F171 HydrophobicContact CB-CZ 3.28Å; N169-F171 WeakPolarHBondContact O-CE2 3.37Å; N169-S186 PolarHBondContact ND2-O 3.38Å; N169-S186 VanDerWaalsContact ND2-O 3.14Å
170	V	88.5	Confident	76.8	Confident	41 Å²	41	65.8 Å²	65.8	25%	0.248	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.2	-174.2	177.9	0	0	0	0	109.6	I142 Y144 Y156 I168	I142-V170 HydrophobicContact CB-CG2 4.29Å; I142-V170 HydrophobicContact CD1-CG2 4.48Å; I142-V170 CarbonylContact O-C 3.59Å; Y144-V170 HydrophobicContact CD1-CG1 3.95Å; Y144-V170 HydrophobicContact CE1-CG1 3.4Å; Y156-V170 HydrophobicContact CD1-CG2 4.41Å; Y156-V170 HydrophobicContact CD2-CG2 3.19Å; Y156-V170 HydrophobicContact CE2-CG2 3.71Å; Y156-V170 HydrophobicContact CG-CG2 3.58Å; I168-V170 HydrophobicContact CG2-CG2 4.19Å
171	F	86.6	Confident	76.1	Confident	26 Å²	26	68.6 Å²	68.6	11%	0.114	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.9	-173.7	-50	-81.9	0	0	0	111.6	I142 I143 Y144 N169 I183	I142-F171 PolarHBondContact O-N 2.62Å; I143-F171 WeakPolarHBondContact CA-O 3.46Å; I143-F171 HydrophobicContact CG2-CB 4.26Å; I143-F171 HydrophobicContact CG2-CD2 4.19Å; Y144-F171 WeakPolarHBondContact CD1-O 3.47Å; Y144-F171 VanDerWaalsContact CE1-O 3.27Å; Y144-F171 WeakPolarHBondContact CE1-O 3.31Å; Y144-F171 PolarHBondContact N-O 2.89Å; N169-F171 HydrophobicContact CB-CD2 4.48Å; N169-F171 HydrophobicContact CB-CE1 4.3Å; N169-F171 HydrophobicContact CB-CE2 3.42Å; N169-F171 VanDerWaalsContact CB-CE2 3.42Å; N169-F171 HydrophobicContact CB-CZ 3.28Å; N169-F171 WeakPolarHBondContact O-CE2 3.37Å; F171-I183 HydrophobicContact CB-CD1 3.77Å; F171-I183 HydrophobicContact CB-CG1 3.48Å; F171-I183 VanDerWaalsContact CB-CG1 3.48Å; F171-I183 HydrophobicContact CD1-CG1 3.66Å; F171-I183 HydrophobicContact CD2-CB 4.5Å; F171-I183 HydrophobicContact CD2-CG1 3.77Å; F171-I183 HydrophobicContact CE1-CG1 4.32Å; F171-I183 HydrophobicContact CE2-CG1 4.4Å; F171-I183 HydrophobicContact CG-CB 4.43Å; F171-I183 HydrophobicContact CG-CD1 4.21Å; F171-I183 HydrophobicContact CG-CG1 3.35Å
172	L	83.5	Confident	75.9	Confident	35 Å²	35	64.9 Å²	64.9	18%	0.183	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.3	164.9	178	69.8	0	0	0	108.6	Y144 E146 T174 N179	Y144-L172 HydrophobicContact CD2-CD1 3.9Å; Y144-L172 HydrophobicContact CE1-CB 4.32Å; Y144-L172 HydrophobicContact CE2-CB 4.05Å; Y144-L172 HydrophobicContact CE2-CD1 3.42Å; Y144-L172 VanDerWaalsContact CE2-CD1 3.42Å; Y144-L172 HydrophobicContact CE2-CG 4.32Å; E146-L172 HydrophobicContact CG-CD1 4.09Å; E146-L172 WeakPolarHBondContact OE1-CD1 3.37Å; E146-L172 WeakPolarHBondContact OE1-CD2 3.42Å; L172-T174 HydrophobicContact CD2-CG2 3.42Å; L172-T174 VanDerWaalsContact CD2-CG2 3.42Å; L172-T174 HydrophobicContact CG-CG2 3.68Å; L172-T174 PolarHBondContact O-N 3.45Å; L172-N179 PolarHBondContact O-ND2 2.97Å
173	E	75.8	Confident	76	Confident	22 Å²	22	61.6 Å²	61.6	10%	0.103	34%	0.335	C	S	.	.			trans	-78.7	105.2	168.1	-171.8	65.8	-173.1	0	0	108	Y144 I183 L194	Y144-E173 PolarHBondContact O-N 3.48Å; E173-I183 WeakPolarHBondContact OE2-CD1 3.39Å; E173-L194 HydrophobicContact CB-CD2 3.48Å; E173-L194 VanDerWaalsContact CB-CD2 3.48Å; E173-L194 HydrophobicContact CG-CD1 4.44Å; E173-L194 HydrophobicContact CG-CD2 4.14Å
174	T	71	Confident	76.1	Confident	55 Å²	55	59.7 Å²	59.7	34%	0.337	33%	0.326	S	S	.	.			trans	-101.9	154.7	167.8	57.7	0	0	0	0	109	L172 G176 N179	L172-T174 HydrophobicContact CD2-CG2 3.42Å; L172-T174 VanDerWaalsContact CD2-CG2 3.42Å; L172-T174 HydrophobicContact CG-CG2 3.68Å; L172-T174 PolarHBondContact O-N 3.45Å; T174-G176 VanDerWaalsContact C-N 3.27Å; T174-G176 PolarHBondContact O-N 3.47Å; T174-N179 PolarHBondContact OG1-ND2 3.41Å; T174-N179 VanDerWaalsContact OG1-ND2 3.12Å
175	D	58.2	Low	76.1	Confident	136 Å²	136	59.1 Å²	59.1	73%	0.727	32%	0.318	S	S	*	.	S	Bend	trans	-59.9	89	170.5	-74.2	-35.7	0	0	0	109.2	K201	D175-K201 IonicContact OD1-NZ 3.23Å; D175-K201 PolarHBondContact OD1-NZ 3.2Å; D175-K201 IonicContact OD2-NZ 2.97Å; D175-K201 PolarHBondContact OD2-NZ 3.49Å
176	G	57.1	Low	76.1	Confident	39 Å²	39	54.9 Å²	54.9	40%	0.402	30%	0.298	S	S	.	.	S	Bend	trans	171.9	133.1	-177.9	0	0	0	0	0	115.4	T174 S178 N179	T174-G176 VanDerWaalsContact C-N 3.27Å; T174-G176 PolarHBondContact O-N 3.47Å; G176-S178 PolarHBondContact O-N 3.13Å; G176-S178 VanDerWaalsContact O-N 3.1Å; G176-N179 PolarHBondContact O-N 3.38Å
177	L	58	Low	75.9	Confident	101 Å²	101	54.1 Å²	54.1	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-53.7	-32.9	-178.9	-79.2	122.6	0	0	0	114.4	N179 T180 Y181 N209	L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.29Å; L177-T180 PolarHBondContact O-N 3.11Å; L177-Y181 HydrophobicContact CB-CD2 4.46Å; L177-Y181 HydrophobicContact CB-CE2 4.36Å; L177-Y181 HydrophobicContact CD2-CE2 3.94Å; L177-Y181 WeakPolarHBondContact O-CD2 3.4Å; L177-Y181 PolarHBondContact O-N 2.82Å; L177-Y181 VanDerWaalsContact O-N 3.13Å; L177-N209 WeakPolarHBondContact CD2-OD1 3.42Å
178	S	59.6	Low	75.8	Confident	91 Å²	91	50.7 Å²	50.7	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-63.4	-37.7	-170.3	-166	0	0	0	0	112.9	G176	G176-S178 PolarHBondContact O-N 3.13Å; G176-S178 VanDerWaalsContact O-N 3.1Å
179	N	68	Low	75.9	Confident	53 Å²	53	49.6 Å²	49.6	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-77.9	-34.6	-179.7	-73.8	10.8	0	0	0	111.1	L172 T174 G176 L177 Y181 T182 I183	L172-N179 PolarHBondContact O-ND2 2.97Å; T174-N179 PolarHBondContact OG1-ND2 3.41Å; T174-N179 VanDerWaalsContact OG1-ND2 3.12Å; G176-N179 PolarHBondContact O-N 3.38Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.29Å; N179-Y181 VanDerWaalsContact C-N 3.33Å; N179-Y181 PolarHBondContact O-N 3.13Å; N179-T182 PolarHBondContact O-N 2.95Å; N179-T182 PolarHBondContact O-OG1 3.19Å; N179-I183 WeakPolarHBondContact O-CD1 3.4Å; N179-I183 VanDerWaalsContact O-CG1 3.29Å; N179-I183 WeakPolarHBondContact O-CG1 3.42Å; N179-I183 PolarHBondContact O-N 3.19Å
180	T	71.2	Confident	76.1	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-42.2	175.9	-40.6	0	0	0	0	110.7	L177 T182 I183 L184 F202 T205	L177-T180 PolarHBondContact O-N 3.11Å; T180-T182 VanDerWaalsContact C-N 3.32Å; T180-T182 PolarHBondContact O-N 3.08Å; T180-I183 WeakPolarHBondContact O-CB 3.42Å; T180-I183 PolarHBondContact O-N 3.36Å; T180-L184 HydrophobicContact CG2-CD1 4.18Å; T180-L184 HydrophobicContact CG2-CG 4.17Å; T180-L184 WeakPolarHBondContact O-CB 3.47Å; T180-L184 WeakPolarHBondContact O-CG 3.45Å; T180-L184 PolarHBondContact O-N 3.16Å; T180-F202 HydrophobicContact CG2-CD2 4.37Å; T180-F202 HydrophobicContact CG2-CE2 4.05Å; T180-T205 HydrophobicContact CG2-CG2 3.67Å; T180-T205 WeakPolarHBondContact OG1-CG2 3.23Å
181	Y	73.5	Confident	76.3	Confident	102 Å²	102	46 Å²	46	40%	0.4	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-40.9	175.9	-83.6	-73.9	0	0	0	113.1	L177 N179 L184 H185 N209	L177-Y181 HydrophobicContact CB-CD2 4.46Å; L177-Y181 HydrophobicContact CB-CE2 4.36Å; L177-Y181 HydrophobicContact CD2-CE2 3.94Å; L177-Y181 WeakPolarHBondContact O-CD2 3.4Å; L177-Y181 PolarHBondContact O-N 2.82Å; L177-Y181 VanDerWaalsContact O-N 3.13Å; N179-Y181 VanDerWaalsContact C-N 3.33Å; N179-Y181 PolarHBondContact O-N 3.13Å; Y181-L184 PolarHBondContact O-N 2.97Å; Y181-H185 PolarHBondContact O-N 3.41Å; Y181-H185 PolarHBondContact O-ND1 2.7Å; Y181-N209 HydrophobicContact CE1-CB 4.38Å; Y181-N209 PolarHBondContact OH-OD1 3.2Å
182	T	79.1	Confident	76.7	Confident	69 Å²	69	44.7 Å²	44.7	42%	0.423	25%	0.246	S	C	.	.	H	α-helix	trans	-67	-41.1	177.4	56	0	0	0	0	111.3	N179 T180 L184 H185 S186	N179-T182 PolarHBondContact O-N 2.95Å; N179-T182 PolarHBondContact O-OG1 3.19Å; T180-T182 VanDerWaalsContact C-N 3.32Å; T180-T182 PolarHBondContact O-N 3.08Å; T182-L184 PolarHBondContact O-N 2.91Å; T182-H185 PolarHBondContact O-N 3.41Å; T182-S186 VanDerWaalsContact O-CB 3.25Å; T182-S186 WeakPolarHBondContact O-CB 3.4Å; T182-S186 PolarHBondContact O-N 2.77Å; T182-S186 PolarHBondContact O-OG 2.65Å
183	I	78.9	Confident	77.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.7	-51.6	173.1	-65.5	162	0	0	0	110.5	I143 F171 E173 N179 T180 H185 S186 A187 L190 F202	I143-I183 HydrophobicContact CG2-CD1 4.03Å; I143-I183 HydrophobicContact CG2-CG1 4.31Å; I143-I183 HydrophobicContact CG2-CG2 4.06Å; F171-I183 HydrophobicContact CB-CD1 3.77Å; F171-I183 HydrophobicContact CB-CG1 3.48Å; F171-I183 VanDerWaalsContact CB-CG1 3.48Å; F171-I183 HydrophobicContact CD1-CG1 3.66Å; F171-I183 HydrophobicContact CD2-CB 4.5Å; F171-I183 HydrophobicContact CD2-CG1 3.77Å; F171-I183 HydrophobicContact CE1-CG1 4.32Å; F171-I183 HydrophobicContact CE2-CG1 4.4Å; F171-I183 HydrophobicContact CG-CB 4.43Å; F171-I183 HydrophobicContact CG-CD1 4.21Å; F171-I183 HydrophobicContact CG-CG1 3.35Å; E173-I183 WeakPolarHBondContact OE2-CD1 3.39Å; N179-I183 WeakPolarHBondContact O-CD1 3.4Å; N179-I183 VanDerWaalsContact O-CG1 3.29Å; N179-I183 WeakPolarHBondContact O-CG1 3.42Å; N179-I183 PolarHBondContact O-N 3.19Å; T180-I183 WeakPolarHBondContact O-CB 3.42Å; T180-I183 PolarHBondContact O-N 3.36Å; I183-H185 PolarHBondContact O-N 3.35Å; I183-S186 PolarHBondContact O-N 3.21Å; I183-A187 PolarHBondContact O-N 3.35Å; I183-L190 HydrophobicContact CG2-CD1 4Å; I183-L190 HydrophobicContact CG2-CD2 3.92Å; I183-F202 HydrophobicContact CD1-CE2 4.26Å; I183-F202 HydrophobicContact CG2-CE2 4.24Å; I183-F202 HydrophobicContact CG2-CZ 4.29Å
184	L	77	Confident	77.7	Confident	9 Å²	9	42.3 Å²	42.3	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-29.4	-174.9	-67.3	176.7	0	0	0	113.9	T180 Y181 T182 L206 N209 A210 F216	T180-L184 HydrophobicContact CG2-CD1 4.18Å; T180-L184 HydrophobicContact CG2-CG 4.17Å; T180-L184 WeakPolarHBondContact O-CB 3.47Å; T180-L184 WeakPolarHBondContact O-CG 3.45Å; T180-L184 PolarHBondContact O-N 3.16Å; Y181-L184 PolarHBondContact O-N 2.97Å; T182-L184 PolarHBondContact O-N 2.91Å; L184-L206 HydrophobicContact CD2-CD1 3.25Å; L184-N209 HydrophobicContact CD1-CB 4.2Å; L184-A210 HydrophobicContact CD1-CB 4.19Å; L184-A210 HydrophobicContact CD2-CB 4.04Å; L184-F216 HydrophobicContact CB-CZ 4.1Å; L184-F216 HydrophobicContact CD2-CE1 3.72Å; L184-F216 HydrophobicContact CD2-CE2 3.84Å; L184-F216 HydrophobicContact CD2-CZ 3.3Å; L184-F216 HydrophobicContact CG-CZ 4.29Å
185	H	77.3	Confident	78.5	Confident	147 Å²	147	40.3 Å²	40.3	68%	0.681	22%	0.222	S	C	*	.	H	α-helix	trans	-92.3	-12.7	179.2	-69.3	80.8	0	0	0	113.3	Y181 T182 I183	Y181-H185 PolarHBondContact O-N 3.41Å; Y181-H185 PolarHBondContact O-ND1 2.7Å; T182-H185 PolarHBondContact O-N 3.41Å; I183-H185 PolarHBondContact O-N 3.35Å
186	S	80.6	Confident	79.9	Confident	37 Å²	37	34.9 Å²	34.9	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-103.1	-31.6	-170.8	-59.6	0	0	0	0	114.4	N169 T182 I183	N169-S186 PolarHBondContact ND2-O 3.38Å; N169-S186 VanDerWaalsContact ND2-O 3.14Å; T182-S186 VanDerWaalsContact O-CB 3.25Å; T182-S186 WeakPolarHBondContact O-CB 3.4Å; T182-S186 PolarHBondContact O-N 2.77Å; T182-S186 PolarHBondContact O-OG 2.65Å; I183-S186 PolarHBondContact O-N 3.21Å
187	A	84.5	Confident	81.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.			trans	-153.2	144.5	-179.8	0	0	0	0	0	111.8	I183 L190 F216	I183-A187 PolarHBondContact O-N 3.35Å; A187-L190 HydrophobicContact CB-CD2 3.93Å; A187-F216 VanDerWaalsContact O-CE1 3.3Å; A187-F216 WeakPolarHBondContact O-CE1 3.2Å
188	R	86.4	Confident	82.7	Confident	42 Å²	42	33.9 Å²	33.9	16%	0.158	18%	0.179	C	C	.	.	S	Bend	trans	-103.4	-26.3	172.5	-61.5	-56.5	-179.1	118.6	5.4	113.7	E215 F216 S217 Y400	R188-E215 IonicContact CZ-OE2 3.84Å; R188-E215 IonicContact NH1-OE2 2.82Å; R188-E215 PolarHBondContact NH1-OE2 3.09Å; R188-E215 IonicContact NH2-OE2 2.81Å; R188-F216 VanDerWaalsContact CD-CE1 3.44Å; R188-F216 VanDerWaalsContact CD-CZ 3.44Å; R188-F216 VanDerWaalsContact NH1-CE2 3.26Å; R188-F216 CarbonylContact O-C 3.18Å; R188-F216 VanDerWaalsContact O-CA 3.3Å; R188-F216 WeakPolarHBondContact O-CA 3.27Å; R188-S217 PolarHBondContact O-N 2.86Å; R188-Y400 HydrophobicContact CB-CE1 4.29Å; R188-Y400 HydrophobicContact CG-CD1 3.89Å; R188-Y400 HydrophobicContact CG-CE1 3.38Å
189	A	90.3	Very high	84.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.1	165.7	0	0	0	0	0	109.4	W137 I140 G141 S217	W137-A189 HydrophobicContact CD2-CB 3.65Å; W137-A189 HydrophobicContact CE3-CB 3.52Å; W137-A189 HydrophobicContact CG-CB 4.32Å; W137-A189 HydrophobicContact CH2-CB 4.01Å; W137-A189 HydrophobicContact CZ2-CB 4.13Å; W137-A189 HydrophobicContact CZ3-CB 3.7Å; I140-A189 CarbonylContact C-O 3.53Å; I140-A189 VanDerWaalsContact CA-O 3.32Å; I140-A189 WeakPolarHBondContact CA-O 3.49Å; I140-A189 HydrophobicContact CG2-CB 4.12Å; G141-A189 PolarHBondContact N-O 2.9Å; A189-S217 CarbonylContact C-O 3.58Å; A189-S217 WeakPolarHBondContact CA-O 3.34Å
190	L	92.5	Very high	85.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.7	-175.7	-58.4	178.1	0	0	0	110.6	G141 I143 I183 A187 F202 F216 S217 I218 V219	G141-L190 CarbonylContact O-C 3.53Å; G141-L190 WeakPolarHBondContact O-CA 3.47Å; I143-L190 HydrophobicContact CG2-CD2 4.43Å; I183-L190 HydrophobicContact CG2-CD1 4Å; I183-L190 HydrophobicContact CG2-CD2 3.92Å; A187-L190 HydrophobicContact CB-CD2 3.93Å; L190-F202 HydrophobicContact CD1-CE1 4.05Å; L190-F202 HydrophobicContact CD1-CZ 3.66Å; L190-F216 HydrophobicContact CD1-CD1 3.87Å; L190-F216 HydrophobicContact CD1-CE1 4.48Å; L190-F216 HydrophobicContact CG-CD1 4.34Å; L190-S217 PolarHBondContact N-O 3.15Å; L190-I218 HydrophobicContact CB-CG1 4.15Å; L190-I218 HydrophobicContact CD1-CG1 4.21Å; L190-I218 WeakPolarHBondContact O-CA 3.19Å; L190-V219 PolarHBondContact O-N 3.12Å
191	I	94.2	Very high	85.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.2	170.2	-50.3	-54.3	0	0	0	108	I128 M131 W137 I140 G141 I142 I143 F193 V219 V221	I128-I191 HydrophobicContact CD1-CG2 3.9Å; I128-I191 HydrophobicContact CG1-CG2 4.37Å; I128-I191 HydrophobicContact CG2-CD1 4.45Å; I128-I191 HydrophobicContact CG2-CG1 4.23Å; M131-I191 HydrophobicContact CE-CD1 3.47Å; M131-I191 VanDerWaalsContact CE-CD1 3.47Å; W137-I191 HydrophobicContact CZ3-CD1 4.27Å; I140-I191 HydrophobicContact CD1-CG1 4.03Å; G141-I191 PolarHBondContact O-N 2.9Å; I142-I191 CarbonylContact C-O 3.57Å; I142-I191 WeakPolarHBondContact CA-O 3.37Å; I142-I191 HydrophobicContact CG1-CB 4.39Å; I143-I191 PolarHBondContact N-O 3.33Å; I191-F193 HydrophobicContact CG2-CD2 4.38Å; I191-F193 HydrophobicContact CG2-CE2 3.64Å; I191-F193 HydrophobicContact CG2-CZ 4.06Å; I191-V219 CarbonylContact C-O 3.52Å; I191-V219 WeakPolarHBondContact CA-O 3.48Å; I191-V219 HydrophobicContact CD1-CB 3.94Å; I191-V219 HydrophobicContact CD1-CG2 4.35Å; I191-V221 HydrophobicContact CG2-CG2 3.77Å
192	S	93.3	Very high	86.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.5	-173.3	-178.7	0	0	0	0	112.1	L194 V219 H220 V221	S192-L194 WeakPolarHBondContact OG-CB 3.2Å; S192-L194 WeakPolarHBondContact OG-CG 3.39Å; S192-L194 PolarHBondContact OG-N 3.06Å; S192-V219 PolarHBondContact N-O 3.36Å; S192-H220 WeakPolarHBondContact O-CA 3.46Å; S192-H220 PolarHBondContact O-ND1 3.29Å; S192-H220 PolarHBondContact OG-ND1 2.96Å; S192-V221 PolarHBondContact O-N 3.08Å
193	F	92.3	Very high	87	Confident	1 Å²	1	22.4 Å²	22.4	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	21.6	166	-62.3	-87.6	0	0	0	111	T124 I128 I142 I143 T148 T151 A152 I155 I191 V221	T124-F193 HydrophobicContact CG2-CE1 4.3Å; T124-F193 HydrophobicContact CG2-CZ 4.44Å; I128-F193 HydrophobicContact CD1-CE2 4.49Å; I128-F193 HydrophobicContact CD1-CZ 3.82Å; I142-F193 HydrophobicContact CG2-CD2 3.75Å; I142-F193 HydrophobicContact CG2-CE2 3.83Å; I143-F193 PolarHBondContact O-N 2.93Å; T148-F193 WeakPolarHBondContact CB-O 3.37Å; T148-F193 WeakPolarHBondContact CG2-O 3.38Å; T148-F193 PolarHBondContact OG1-O 3.16Å; T151-F193 HydrophobicContact CG2-CD1 4.19Å; T151-F193 HydrophobicContact CG2-CE1 4.31Å; A152-F193 HydrophobicContact CB-CB 4.46Å; A152-F193 HydrophobicContact CB-CD2 4.11Å; A152-F193 HydrophobicContact CB-CG 4.34Å; I155-F193 HydrophobicContact CB-CZ 4.46Å; I155-F193 HydrophobicContact CD1-CD1 4.42Å; I155-F193 HydrophobicContact CD1-CE1 3.36Å; I155-F193 HydrophobicContact CD1-CE2 4.46Å; I155-F193 HydrophobicContact CD1-CZ 3.39Å; I155-F193 HydrophobicContact CG2-CZ 4.16Å; I191-F193 HydrophobicContact CG2-CD2 4.38Å; I191-F193 HydrophobicContact CG2-CE2 3.64Å; I191-F193 HydrophobicContact CG2-CZ 4.06Å; F193-V221 HydrophobicContact CD1-CB 3.96Å; F193-V221 HydrophobicContact CD1-CG1 4.33Å; F193-V221 HydrophobicContact CD1-CG2 4.48Å; F193-V221 HydrophobicContact CE1-CB 3.69Å; F193-V221 HydrophobicContact CE1-CG1 3.8Å; F193-V221 HydrophobicContact CE1-CG2 3.91Å; F193-V221 HydrophobicContact CZ-CB 4.27Å; F193-V221 HydrophobicContact CZ-CG2 3.96Å
194	L	89.7	Confident	87.4	Confident	5 Å²	5	25 Å²	25	3%	0.026	12%	0.123	C	C	.	.			trans	-64.1	161.8	179.8	-63.7	178.1	0	0	0	111.2	I143 Y144 E173 S192 D198 L199 F202 H220	I143-L194 HydrophobicContact CD1-CD1 3.75Å; I143-L194 HydrophobicContact CD1-CG 4.29Å; I143-L194 HydrophobicContact CG1-CD1 4.13Å; I143-L194 HydrophobicContact CG1-CG 4.13Å; Y144-L194 VanDerWaalsContact C-CD2 3.43Å; E173-L194 HydrophobicContact CB-CD2 3.48Å; E173-L194 VanDerWaalsContact CB-CD2 3.48Å; E173-L194 HydrophobicContact CG-CD1 4.44Å; E173-L194 HydrophobicContact CG-CD2 4.14Å; S192-L194 WeakPolarHBondContact OG-CB 3.2Å; S192-L194 WeakPolarHBondContact OG-CG 3.39Å; S192-L194 PolarHBondContact OG-N 3.06Å; L194-D198 HydrophobicContact CB-CB 4.12Å; L194-D198 HydrophobicContact CD2-CB 4.31Å; L194-L199 HydrophobicContact CB-CB 4.15Å; L194-L199 HydrophobicContact CD1-CB 4.44Å; L194-L199 HydrophobicContact CD1-CD1 4.15Å; L194-F202 HydrophobicContact CD1-CB 3.94Å; L194-F202 HydrophobicContact CD1-CG 4.25Å; L194-H220 PolarHBondContact O-CE1 3.21Å
195	T	87.8	Confident	87.8	Confident	14 Å²	14	26.1 Å²	26.1	9%	0.086	13%	0.13	C	C	.	.			trans	-68.1	158	161.1	69.3	0	0	0	0	108.8	E147 L197 D198 L199	E147-T195 WeakPolarHBondContact OE2-CG2 3.37Å; T195-L197 PolarHBondContact O-N 3.43Å; T195-D198 PolarHBondContact O-N 3.2Å; T195-D198 VanDerWaalsContact O-N 3.14Å; T195-D198 WeakPolarHBondContact OG1-CB 3.21Å; T195-D198 PolarHBondContact OG1-N 3.42Å; T195-D198 PolarHBondContact OG1-OD2 3.02Å; T195-L199 WeakPolarHBondContact O-CB 3.48Å; T195-L199 PolarHBondContact O-N 2.9Å
196	T	87.1	Confident	88.2	Confident	22 Å²	22	19.1 Å²	19.1	14%	0.135	10%	0.098	C	C	.	.	H	α-helix	trans	-58	-32.1	176.1	-41.9	0	0	0	0	111.7	S200 F231 Y234	T196-S200 PolarHBondContact O-N 2.96Å; T196-S200 VanDerWaalsContact O-N 3.16Å; T196-F231 HydrophobicContact CG2-CD2 3.85Å; T196-F231 HydrophobicContact CG2-CE2 4Å; T196-Y234 HydrophobicContact CG2-CD1 3.37Å; T196-Y234 HydrophobicContact CG2-CE1 3.77Å; T196-Y234 HydrophobicContact CG2-CG 4.02Å
197	L	86	Confident	88.5	Confident	87 Å²	87	18.7 Å²	18.7	46%	0.455	9%	0.091	S	C	.	.	H	α-helix	trans	-66.2	-52.4	173.6	178.8	63.3	0	0	0	111.7	T195 L199 S200 K201 Y234	T195-L197 PolarHBondContact O-N 3.43Å; L197-L199 VanDerWaalsContact C-N 3.3Å; L197-L199 PolarHBondContact O-N 3.44Å; L197-S200 WeakPolarHBondContact O-CB 3.34Å; L197-S200 PolarHBondContact O-N 3.42Å; L197-S200 VanDerWaalsContact O-N 3.11Å; L197-S200 PolarHBondContact O-OG 3.05Å; L197-K201 PolarHBondContact O-N 3.23Å; L197-K201 VanDerWaalsContact O-N 3.14Å; L197-Y234 WeakPolarHBondContact CD1-OH 3.41Å
198	D	87.4	Confident	88.5	Confident	31 Å²	31	25 Å²	25	17%	0.166	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-35.1	-178.8	-61.2	-37.6	0	0	0	111.6	S145 L194 T195 S200 K201 F202	S145-D198 WeakPolarHBondContact CB-OD2 3.46Å; L194-D198 HydrophobicContact CB-CB 4.12Å; L194-D198 HydrophobicContact CD2-CB 4.31Å; T195-D198 PolarHBondContact O-N 3.2Å; T195-D198 VanDerWaalsContact O-N 3.14Å; T195-D198 WeakPolarHBondContact OG1-CB 3.21Å; T195-D198 PolarHBondContact OG1-N 3.42Å; T195-D198 PolarHBondContact OG1-OD2 3.02Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 2.89Å; D198-K201 PolarHBondContact O-N 3Å; D198-K201 IonicContact OD1-NZ 3.79Å; D198-F202 WeakPolarHBondContact O-CB 3.48Å; D198-F202 PolarHBondContact O-N 2.87Å
199	L	88.9	Confident	88.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-46.1	171.5	-173.8	67.5	0	0	0	111	L194 T195 L197 K201 F202 F203 H220 F231 L235	L194-L199 HydrophobicContact CB-CB 4.15Å; L194-L199 HydrophobicContact CD1-CB 4.44Å; L194-L199 HydrophobicContact CD1-CD1 4.15Å; T195-L199 WeakPolarHBondContact O-CB 3.48Å; T195-L199 PolarHBondContact O-N 2.9Å; L197-L199 VanDerWaalsContact C-N 3.3Å; L197-L199 PolarHBondContact O-N 3.44Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.44Å; L199-F202 WeakPolarHBondContact O-CB 3.35Å; L199-F202 PolarHBondContact O-N 3.35Å; L199-F203 HydrophobicContact CD1-CD2 4.08Å; L199-F203 HydrophobicContact CD1-CE2 3.54Å; L199-F203 HydrophobicContact CD1-CZ 4.46Å; L199-F203 HydrophobicContact CD2-CE2 4.19Å; L199-F203 HydrophobicContact CG-CD2 3.91Å; L199-F203 HydrophobicContact CG-CE2 3.64Å; L199-F203 WeakPolarHBondContact O-CD2 3.47Å; L199-F203 PolarHBondContact O-N 3.28Å; L199-H220 HydrophobicContact CD2-CB 4.33Å; L199-F231 HydrophobicContact CD2-CE2 3.83Å; L199-F231 HydrophobicContact CD2-CZ 3.62Å; L199-L235 HydrophobicContact CD2-CD1 4.45Å; L199-L235 HydrophobicContact CD2-CD2 4.48Å
200	S	88.3	Confident	87.7	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-38.9	178.7	78.7	0	0	0	0	112.5	T196 L197 D198 K204 N238	T196-S200 PolarHBondContact O-N 2.96Å; T196-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 WeakPolarHBondContact O-CB 3.34Å; L197-S200 PolarHBondContact O-N 3.42Å; L197-S200 VanDerWaalsContact O-N 3.11Å; L197-S200 PolarHBondContact O-OG 3.05Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 2.89Å; S200-K204 PolarHBondContact O-N 3.07Å; S200-N238 WeakPolarHBondContact CB-OD1 3.45Å
201	K	86.9	Confident	87	Confident	71 Å²	71	34.6 Å²	34.6	31%	0.309	17%	0.169	S	C	.	.	H	α-helix	trans	-65.7	-47	173.8	-65.9	176.2	179.7	174.5	0	111.4	D175 L197 D198 L199 F203 K204 T205	D175-K201 IonicContact OD1-NZ 3.23Å; D175-K201 PolarHBondContact OD1-NZ 3.2Å; D175-K201 IonicContact OD2-NZ 2.97Å; D175-K201 PolarHBondContact OD2-NZ 3.49Å; L197-K201 PolarHBondContact O-N 3.23Å; L197-K201 VanDerWaalsContact O-N 3.14Å; D198-K201 PolarHBondContact O-N 3Å; D198-K201 IonicContact OD1-NZ 3.79Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.44Å; K201-F203 VanDerWaalsContact C-N 3.27Å; K201-F203 PolarHBondContact O-N 2.66Å; K201-K204 WeakPolarHBondContact O-CB 3.44Å; K201-K204 PolarHBondContact O-N 2.81Å; K201-T205 PolarHBondContact O-N 3.25Å; K201-T205 PolarHBondContact O-OG1 3.25Å
202	F	88.1	Confident	86.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.8	-43.3	177.7	175	-101.3	0	0	0	111.5	I143 T180 I183 L190 L194 D198 L199 K204 T205 L206 I218	I143-F202 HydrophobicContact CD1-CD1 4.19Å; I143-F202 HydrophobicContact CD1-CE1 3.98Å; I143-F202 HydrophobicContact CD1-CE2 4.4Å; I143-F202 HydrophobicContact CD1-CG 4.5Å; I143-F202 HydrophobicContact CD1-CZ 4.09Å; T180-F202 HydrophobicContact CG2-CD2 4.37Å; T180-F202 HydrophobicContact CG2-CE2 4.05Å; I183-F202 HydrophobicContact CD1-CE2 4.26Å; I183-F202 HydrophobicContact CG2-CE2 4.24Å; I183-F202 HydrophobicContact CG2-CZ 4.29Å; L190-F202 HydrophobicContact CD1-CE1 4.05Å; L190-F202 HydrophobicContact CD1-CZ 3.66Å; L194-F202 HydrophobicContact CD1-CB 3.94Å; L194-F202 HydrophobicContact CD1-CG 4.25Å; D198-F202 WeakPolarHBondContact O-CB 3.48Å; D198-F202 PolarHBondContact O-N 2.87Å; L199-F202 WeakPolarHBondContact O-CB 3.35Å; L199-F202 PolarHBondContact O-N 3.35Å; F202-K204 VanDerWaalsContact C-N 3.35Å; F202-K204 PolarHBondContact O-N 3Å; F202-T205 PolarHBondContact O-N 3.24Å; F202-L206 HydrophobicContact CE1-CD2 4.38Å; F202-L206 WeakPolarHBondContact O-CB 2.91Å; F202-L206 PolarHBondContact O-N 2.84Å; F202-I218 HydrophobicContact CE1-CD1 3.9Å
203	F	89	Confident	85.8	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-34.1	176.4	-84.4	-70.9	0	0	0	114.2	L199 K201 L206 K207 I218 L251 L254 Y255 V258	L199-F203 HydrophobicContact CD1-CD2 4.08Å; L199-F203 HydrophobicContact CD1-CE2 3.54Å; L199-F203 HydrophobicContact CD1-CZ 4.46Å; L199-F203 HydrophobicContact CD2-CE2 4.19Å; L199-F203 HydrophobicContact CG-CD2 3.91Å; L199-F203 HydrophobicContact CG-CE2 3.64Å; L199-F203 WeakPolarHBondContact O-CD2 3.47Å; L199-F203 PolarHBondContact O-N 3.28Å; K201-F203 VanDerWaalsContact C-N 3.27Å; K201-F203 PolarHBondContact O-N 2.66Å; F203-L206 HydrophobicContact CD1-CD2 4.04Å; F203-L206 HydrophobicContact CE1-CD2 4.14Å; F203-K207 VanDerWaalsContact O-CB 3.3Å; F203-K207 WeakPolarHBondContact O-CB 3.46Å; F203-K207 PolarHBondContact O-N 3.38Å; F203-I218 HydrophobicContact CD1-CD1 4.39Å; F203-I218 HydrophobicContact CE1-CD1 3.35Å; F203-I218 HydrophobicContact CE2-CD1 4.41Å; F203-I218 HydrophobicContact CZ-CB 4.23Å; F203-I218 HydrophobicContact CZ-CD1 3.32Å; F203-I218 HydrophobicContact CZ-CG1 4.35Å; F203-I218 HydrophobicContact CZ-CG2 4.13Å; F203-L251 HydrophobicContact CB-CD1 3.73Å; F203-L254 HydrophobicContact CD1-CB 3.93Å; F203-L254 HydrophobicContact CD1-CD1 4.49Å; F203-L254 HydrophobicContact CE1-CB 4.21Å; F203-Y255 HydrophobicContact CB-CD1 4.37Å; F203-Y255 HydrophobicContact CB-CE1 3.51Å; F203-Y255 HydrophobicContact CD1-CD1 4.15Å; F203-Y255 HydrophobicContact CD1-CE1 4.1Å; F203-Y255 AromaticContact CD2-CD1 3.84Å; F203-Y255 HydrophobicContact CD2-CD1 3.84Å; F203-Y255 AromaticContact CD2-CE1 3.42Å; F203-Y255 HydrophobicContact CD2-CE1 3.42Å; F203-Y255 VanDerWaalsContact CD2-CE1 3.42Å; F203-Y255 HydrophobicContact CE1-CD1 4.46Å; F203-Y255 HydrophobicContact CE2-CD1 4.17Å; F203-Y255 HydrophobicContact CE2-CE1 4.19Å; F203-Y255 AromaticContact CG-CD1 3.86Å; F203-Y255 HydrophobicContact CG-CD1 3.86Å; F203-Y255 AromaticContact CG-CE1 3.41Å; F203-Y255 HydrophobicContact CG-CE1 3.41Å; F203-Y255 VanDerWaalsContact CG-CE1 3.41Å; F203-V258 HydrophobicContact CE1-CG2 3.83Å; F203-V258 HydrophobicContact CE2-CG2 3.7Å; F203-V258 HydrophobicContact CZ-CB 4.46Å; F203-V258 HydrophobicContact CZ-CG2 3.12Å
204	K	87.3	Confident	85.4	Confident	56 Å²	56	45.4 Å²	45.4	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-44	172.9	-68.8	177.8	-179.6	-179.8	0	110.5	S200 K201 F202 K207 E208 N238 E242 L251	S200-K204 PolarHBondContact O-N 3.07Å; K201-K204 WeakPolarHBondContact O-CB 3.44Å; K201-K204 PolarHBondContact O-N 2.81Å; F202-K204 VanDerWaalsContact C-N 3.35Å; F202-K204 PolarHBondContact O-N 3Å; K204-K207 WeakPolarHBondContact O-CB 3.3Å; K204-K207 PolarHBondContact O-N 3.21Å; K204-E208 WeakPolarHBondContact O-CG 3.5Å; K204-E208 PolarHBondContact O-N 3.43Å; K204-N238 WeakPolarHBondContact CE-OD1 3.49Å; K204-N238 PolarHBondContact NZ-OD1 2.79Å; K204-E242 WeakPolarHBondContact CE-OE1 3.29Å; K204-L251 HydrophobicContact CG-CD2 4.16Å
205	T	85.2	Confident	85.1	Confident	31 Å²	31	47.9 Å²	47.9	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-40.9	176.4	-46.5	0	0	0	0	112.1	T180 K201 F202 E208 N209	T180-T205 HydrophobicContact CG2-CG2 3.67Å; T180-T205 WeakPolarHBondContact OG1-CG2 3.23Å; K201-T205 PolarHBondContact O-N 3.25Å; K201-T205 PolarHBondContact O-OG1 3.25Å; F202-T205 PolarHBondContact O-N 3.24Å; T205-E208 PolarHBondContact O-N 2.94Å; T205-N209 VanDerWaalsContact CG2-ND2 3.31Å; T205-N209 WeakPolarHBondContact CG2-ND2 3.46Å; T205-N209 WeakPolarHBondContact O-CB 3.38Å; T205-N209 PolarHBondContact O-N 2.98Å; T205-N209 PolarHBondContact O-ND2 2.97Å
206	L	86.9	Confident	85.1	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-46.9	176.2	-179.4	67.2	0	0	0	111.3	L184 F202 F203 E208 A210 P213 F216 I218	L184-L206 HydrophobicContact CD2-CD1 3.25Å; F202-L206 HydrophobicContact CE1-CD2 4.38Å; F202-L206 WeakPolarHBondContact O-CB 2.91Å; F202-L206 PolarHBondContact O-N 2.84Å; F203-L206 HydrophobicContact CD1-CD2 4.04Å; F203-L206 HydrophobicContact CE1-CD2 4.14Å; L206-E208 PolarHBondContact O-N 2.81Å; L206-A210 HydrophobicContact CD1-CB 3.79Å; L206-A210 VanDerWaalsContact O-CB 3.29Å; L206-A210 WeakPolarHBondContact O-CB 3.03Å; L206-A210 PolarHBondContact O-N 3.11Å; L206-A210 VanDerWaalsContact O-N 3.1Å; L206-P213 HydrophobicContact CD1-CB 4.37Å; L206-P213 HydrophobicContact CD2-CB 4.49Å; L206-P213 HydrophobicContact CG-CB 3.9Å; L206-F216 HydrophobicContact CD1-CD2 3.75Å; L206-F216 HydrophobicContact CD1-CE2 3.87Å; L206-F216 HydrophobicContact CD1-CG 4.09Å; L206-F216 HydrophobicContact CD1-CZ 4.32Å; L206-I218 HydrophobicContact CD2-CD1 3.96Å
207	K	87.2	Confident	85.2	Confident	27 Å²	27	46.4 Å²	46.4	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-36.6	175.7	178.3	-159.8	73.7	-169	0	112.2	F203 K204 E242 R250 L251 L254	F203-K207 VanDerWaalsContact O-CB 3.3Å; F203-K207 WeakPolarHBondContact O-CB 3.46Å; F203-K207 PolarHBondContact O-N 3.38Å; K204-K207 WeakPolarHBondContact O-CB 3.3Å; K204-K207 PolarHBondContact O-N 3.21Å; K207-E242 VanDerWaalsContact NZ-CD 3.31Å; K207-E242 IonicContact NZ-OE1 3.56Å; K207-E242 PolarHBondContact NZ-OE1 3.2Å; K207-E242 IonicContact NZ-OE2 3.14Å; K207-E242 PolarHBondContact NZ-OE2 3.02Å; K207-R250 HydrophobicContact CG-CB 4.45Å; K207-L251 HydrophobicContact CD-CB 4.46Å; K207-L254 HydrophobicContact CB-CD1 3.83Å; K207-L254 HydrophobicContact CG-CD1 4.48Å
208	E	83.5	Confident	85.5	Confident	133 Å²	133	42.4 Å²	42.4	62%	0.621	20%	0.199	S	C	*	.	H	α-helix	trans	-89.1	-35.5	-172.9	-72.8	171.6	-168.7	0	0	113.7	K204 T205 L206	K204-E208 WeakPolarHBondContact O-CG 3.5Å; K204-E208 PolarHBondContact O-N 3.43Å; T205-E208 PolarHBondContact O-N 2.94Å; L206-E208 PolarHBondContact O-N 2.81Å
209	N	81.5	Confident	85.9	Confident	39 Å²	39	41 Å²	41	21%	0.209	19%	0.191	C	C	.	.	H	α-helix	trans	-109.6	-23.3	-168.9	-63	-73.4	0	0	0	114.6	L177 Y181 L184 T205	L177-N209 WeakPolarHBondContact CD2-OD1 3.42Å; Y181-N209 HydrophobicContact CE1-CB 4.38Å; Y181-N209 PolarHBondContact OH-OD1 3.2Å; L184-N209 HydrophobicContact CD1-CB 4.2Å; T205-N209 VanDerWaalsContact CG2-ND2 3.31Å; T205-N209 WeakPolarHBondContact CG2-ND2 3.46Å; T205-N209 WeakPolarHBondContact O-CB 3.38Å; T205-N209 PolarHBondContact O-N 2.98Å; T205-N209 PolarHBondContact O-ND2 2.97Å
210	A	78.7	Confident	86.1	Confident	16 Å²	16	41.1 Å²	41.1	13%	0.132	19%	0.192	C	C	.	.			trans	-79.2	131	178.2	0	0	0	0	0	110.9	L184 L206 R212 P213 F216	L184-A210 HydrophobicContact CD1-CB 4.19Å; L184-A210 HydrophobicContact CD2-CB 4.04Å; L206-A210 HydrophobicContact CD1-CB 3.79Å; L206-A210 VanDerWaalsContact O-CB 3.29Å; L206-A210 WeakPolarHBondContact O-CB 3.03Å; L206-A210 PolarHBondContact O-N 3.11Å; L206-A210 VanDerWaalsContact O-N 3.1Å; A210-R212 PolarHBondContact O-N 3.04Å; A210-P213 HydrophobicContact CB-CB 4.05Å; A210-F216 HydrophobicContact CB-CE2 4.05Å
211	F	77.9	Confident	86.3	Confident	188 Å²	188	41.3 Å²	41.3	83%	0.825	19%	0.193	S	C	*	.	S	Bend	trans	-57.7	-35.8	175.2	-174.4	-109	0	0	0	111.8
212	R	80.8	Confident	86.2	Confident	137 Å²	137	38.5 Å²	38.5	52%	0.517	18%	0.181	S	C	.	.	S	Bend	trans	-141.1	84.4	177.7	-69	175.8	-176.3	175	2	110.3	A210 L214 E215	A210-R212 PolarHBondContact O-N 3.04Å; R212-L214 PolarHBondContact O-N 3.45Å; R212-E215 HydrophobicContact CB-CB 4.49Å; R212-E215 VanDerWaalsContact CB-CD 3.48Å; R212-E215 HydrophobicContact CB-CG 3.8Å; R212-E215 WeakPolarHBondContact CB-OE2 3.27Å; R212-E215 VanDerWaalsContact CD-CD 3.43Å; R212-E215 WeakPolarHBondContact CD-OE1 3.3Å; R212-E215 IonicContact CZ-OE1 3.58Å; R212-E215 IonicContact NE-OE1 2.82Å; R212-E215 IonicContact NH1-OE1 3.72Å; R212-E215 PolarHBondContact NH1-OE1 3.17Å; R212-E215 WeakPolarHBondContact O-CB 3.19Å; R212-E215 PolarHBondContact O-N 2.94Å; R212-E215 VanDerWaalsContact O-N 3.15Å
213	P	81.6	Confident	85.6	Confident	31 Å²	31	40.9 Å²	40.9	20%	0.201	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-68.9	-19.5	-173.6	28.6	-35.7	0	0	0	113.2	L206 A210 E215 F216 L254	L206-P213 HydrophobicContact CD1-CB 4.37Å; L206-P213 HydrophobicContact CD2-CB 4.49Å; L206-P213 HydrophobicContact CG-CB 3.9Å; A210-P213 HydrophobicContact CB-CB 4.05Å; P213-E215 PolarHBondContact O-N 3.4Å; P213-F216 PolarHBondContact O-N 3.46Å; P213-L254 HydrophobicContact CB-CD1 4.19Å; P213-L254 HydrophobicContact CB-CD2 3.61Å; P213-L254 HydrophobicContact CG-CD2 4.01Å
214	L	84.8	Confident	84.8	Confident	61 Å²	61	45.4 Å²	45.4	32%	0.319	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-78.7	-0.6	175.7	-66.7	167.5	0	0	0	113.8	R212 F216 K253 L254 P392	R212-L214 PolarHBondContact O-N 3.45Å; L214-F216 VanDerWaalsContact C-N 3.28Å; L214-K253 HydrophobicContact CD1-CD 3.91Å; L214-K253 VanDerWaalsContact CD1-CE 3.48Å; L214-K253 HydrophobicContact CD2-CD 4.28Å; L214-K253 HydrophobicContact CD2-CG 4.01Å; L214-L254 HydrophobicContact CD2-CD2 3.8Å; L214-L254 HydrophobicContact CG-CD2 4.15Å; L214-P392 WeakPolarHBondContact O-CG 3.48Å
215	E	82.7	Confident	84.2	Confident	57 Å²	57	48.4 Å²	48.4	27%	0.266	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-85.8	-1.1	172	-70	177	166.1	0	0	112.2	R188 R212 P213 P392	R188-E215 IonicContact CZ-OE2 3.84Å; R188-E215 IonicContact NH1-OE2 2.82Å; R188-E215 PolarHBondContact NH1-OE2 3.09Å; R188-E215 IonicContact NH2-OE2 2.81Å; R212-E215 HydrophobicContact CB-CB 4.49Å; R212-E215 VanDerWaalsContact CB-CD 3.48Å; R212-E215 HydrophobicContact CB-CG 3.8Å; R212-E215 WeakPolarHBondContact CB-OE2 3.27Å; R212-E215 VanDerWaalsContact CD-CD 3.43Å; R212-E215 WeakPolarHBondContact CD-OE1 3.3Å; R212-E215 IonicContact CZ-OE1 3.58Å; R212-E215 IonicContact NE-OE1 2.82Å; R212-E215 IonicContact NH1-OE1 3.72Å; R212-E215 PolarHBondContact NH1-OE1 3.17Å; R212-E215 WeakPolarHBondContact O-CB 3.19Å; R212-E215 PolarHBondContact O-N 2.94Å; R212-E215 VanDerWaalsContact O-N 3.15Å; P213-E215 PolarHBondContact O-N 3.4Å; E215-P392 WeakPolarHBondContact O-CB 3.5Å
216	F	87.2	Confident	83.7	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	24%	0.235	C	C	.	.			trans	-96.9	127.6	-179.8	-69.4	-97.5	0	0	0	111.1	L184 A187 R188 L190 L206 A210 P213 L214 I218	L184-F216 HydrophobicContact CB-CZ 4.1Å; L184-F216 HydrophobicContact CD2-CE1 3.72Å; L184-F216 HydrophobicContact CD2-CE2 3.84Å; L184-F216 HydrophobicContact CD2-CZ 3.3Å; L184-F216 HydrophobicContact CG-CZ 4.29Å; A187-F216 VanDerWaalsContact O-CE1 3.3Å; A187-F216 WeakPolarHBondContact O-CE1 3.2Å; R188-F216 VanDerWaalsContact CD-CE1 3.44Å; R188-F216 VanDerWaalsContact CD-CZ 3.44Å; R188-F216 VanDerWaalsContact NH1-CE2 3.26Å; R188-F216 CarbonylContact O-C 3.18Å; R188-F216 VanDerWaalsContact O-CA 3.3Å; R188-F216 WeakPolarHBondContact O-CA 3.27Å; L190-F216 HydrophobicContact CD1-CD1 3.87Å; L190-F216 HydrophobicContact CD1-CE1 4.48Å; L190-F216 HydrophobicContact CG-CD1 4.34Å; L206-F216 HydrophobicContact CD1-CD2 3.75Å; L206-F216 HydrophobicContact CD1-CE2 3.87Å; L206-F216 HydrophobicContact CD1-CG 4.09Å; L206-F216 HydrophobicContact CD1-CZ 4.32Å; A210-F216 HydrophobicContact CB-CE2 4.05Å; P213-F216 PolarHBondContact O-N 3.46Å; L214-F216 VanDerWaalsContact C-N 3.28Å; F216-I218 HydrophobicContact CB-CD1 4.44Å; F216-I218 HydrophobicContact CB-CG1 4.46Å
217	S	89.7	Confident	83.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.4	169.7	-78.5	0	0	0	0	109	R188 A189 L190 P392	R188-S217 PolarHBondContact O-N 2.86Å; A189-S217 CarbonylContact C-O 3.58Å; A189-S217 WeakPolarHBondContact CA-O 3.34Å; L190-S217 PolarHBondContact N-O 3.15Å; S217-P392 WeakPolarHBondContact OG-CD 3.26Å; S217-P392 PolarHBondContact OG-O 3.29Å
218	I	92.5	Very high	83.5	Confident	3 Å²	3	54 Å²	54	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.3	-176.3	-62.9	163.3	0	0	0	109.3	L190 F202 F203 L206 F216 V258 A259	L190-I218 HydrophobicContact CB-CG1 4.15Å; L190-I218 HydrophobicContact CD1-CG1 4.21Å; L190-I218 WeakPolarHBondContact O-CA 3.19Å; F202-I218 HydrophobicContact CE1-CD1 3.9Å; F203-I218 HydrophobicContact CD1-CD1 4.39Å; F203-I218 HydrophobicContact CE1-CD1 3.35Å; F203-I218 HydrophobicContact CE2-CD1 4.41Å; F203-I218 HydrophobicContact CZ-CB 4.23Å; F203-I218 HydrophobicContact CZ-CD1 3.32Å; F203-I218 HydrophobicContact CZ-CG1 4.35Å; F203-I218 HydrophobicContact CZ-CG2 4.13Å; L206-I218 HydrophobicContact CD2-CD1 3.96Å; F216-I218 HydrophobicContact CB-CD1 4.44Å; F216-I218 HydrophobicContact CB-CG1 4.46Å; I218-V258 HydrophobicContact CG2-CG1 4.46Å; I218-V258 WeakPolarHBondContact O-CA 3.3Å; I218-A259 PolarHBondContact O-N 3.18Å
219	V	94.7	Very high	83.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.9	172.2	-176.8	0	0	0	0	107.9	M131 W137 L190 I191 S192 A259 L261 M348	M131-V219 HydrophobicContact CE-CB 4.36Å; M131-V219 HydrophobicContact CE-CG1 4.27Å; M131-V219 HydrophobicContact CE-CG2 4.06Å; M131-V219 HydrophobicContact SD-CB 4.42Å; M131-V219 HydrophobicContact SD-CG1 3.93Å; M131-V219 HydrophobicContact SD-CG2 3.93Å; W137-V219 HydrophobicContact CH2-CG2 3.85Å; W137-V219 HydrophobicContact CZ3-CG2 4.01Å; L190-V219 PolarHBondContact O-N 3.12Å; I191-V219 CarbonylContact C-O 3.52Å; I191-V219 WeakPolarHBondContact CA-O 3.48Å; I191-V219 HydrophobicContact CD1-CB 3.94Å; I191-V219 HydrophobicContact CD1-CG2 4.35Å; S192-V219 PolarHBondContact N-O 3.36Å; V219-A259 CarbonylContact C-O 3.5Å; V219-A259 WeakPolarHBondContact CA-O 3.11Å; V219-A259 HydrophobicContact CG2-CB 4.32Å; V219-L261 HydrophobicContact CG1-CB 3.94Å; V219-M348 HydrophobicContact CG1-CE 3.83Å
220	H	94.3	Very high	83.9	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.6	178.2	-173.9	69.1	0	0	0	110.6	S192 L194 L199 F231 V258 A259 L260 L261	S192-H220 WeakPolarHBondContact O-CA 3.46Å; S192-H220 PolarHBondContact O-ND1 3.29Å; S192-H220 PolarHBondContact OG-ND1 2.96Å; L194-H220 PolarHBondContact O-CE1 3.21Å; L199-H220 HydrophobicContact CD2-CB 4.33Å; H220-F231 HydrophobicContact CB-CZ 4.25Å; H220-F231 AromaticContact CD2-CE2 3.28Å; H220-F231 WeakPolarHBondContact CD2-CE2 3.2Å; H220-F231 AromaticContact CD2-CZ 3.5Å; H220-F231 VanDerWaalsContact CD2-CZ 3.5Å; H220-F231 WeakPolarHBondContact CD2-CZ 3.43Å; H220-F231 AromaticContact NE2-CE2 3.52Å; H220-V258 HydrophobicContact CB-CG1 4.24Å; H220-A259 PolarHBondContact N-O 3.14Å; H220-L260 HydrophobicContact CB-CD1 4.45Å; H220-L260 CarbonylContact O-C 3.59Å; H220-L261 PolarHBondContact O-N 2.85Å
221	V	92.3	Very high	84.4	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.2	177.2	-173.1	0	0	0	0	108.5	T124 I128 I191 S192 F193 C223 L261	T124-V221 HydrophobicContact CG2-CG1 3.87Å; I128-V221 HydrophobicContact CD1-CG2 4.45Å; I191-V221 HydrophobicContact CG2-CG2 3.77Å; S192-V221 PolarHBondContact O-N 3.08Å; F193-V221 HydrophobicContact CD1-CB 3.96Å; F193-V221 HydrophobicContact CD1-CG1 4.33Å; F193-V221 HydrophobicContact CD1-CG2 4.48Å; F193-V221 HydrophobicContact CE1-CB 3.69Å; F193-V221 HydrophobicContact CE1-CG1 3.8Å; F193-V221 HydrophobicContact CE1-CG2 3.91Å; F193-V221 HydrophobicContact CZ-CB 4.27Å; F193-V221 HydrophobicContact CZ-CG2 3.96Å; V221-C223 PolarHBondContact O-N 3.41Å; V221-L261 HydrophobicContact CG2-CD2 4.25Å
222	D	84.8	Confident	85	Confident	11 Å²	11	43.2 Å²	43.2	6%	0.059	22%	0.22	C	C	.	.			trans	-71.2	102.7	-176.1	-170.7	-0.1	0	0	0	111.4	N224 K225 S226 L260 L261	D222-N224 WeakPolarHBondContact OD1-CA 3.21Å; D222-N224 PolarHBondContact OD1-N 3.41Å; D222-K225 PolarHBondContact OD1-N 3.47Å; D222-K225 VanDerWaalsContact OD1-N 3.11Å; D222-S226 PolarHBondContact OD2-N 3.43Å; D222-S226 PolarHBondContact OD2-OG 3.42Å; D222-L260 HydrophobicContact CB-CD1 3.96Å; D222-L261 PolarHBondContact N-O 3.34Å
223	C	76	Confident	85.5	Confident	50 Å²	50	39.4 Å²	39.4	34%	0.338	21%	0.212	S	C	.	.	S	Bend	trans	-86.7	-17.4	173.7	-62.9	0	0	0	0	112.9	T148 V221	T148-C223 HydrophobicContact CG2-CB 4.48Å; V221-C223 PolarHBondContact O-N 3.41Å
224	N	71.3	Confident	85.9	Confident	97 Å²	97	42 Å²	42	52%	0.519	22%	0.219	S	C	.	.	S	Bend	trans	-93.8	0.1	-173.4	-76	-6.5	0	0	0	113.1	D222 S226	D222-N224 WeakPolarHBondContact OD1-CA 3.21Å; D222-N224 PolarHBondContact OD1-N 3.41Å; N224-S226 PolarHBondContact O-N 3.45Å
225	K	75	Confident	86.1	Confident	120 Å²	120	39.2 Å²	39.2	52%	0.522	20%	0.204	S	C	.	.			trans	54.6	36.2	179.1	-50.4	-174.3	-178	-154.4	0	112.1	D222 D266	D222-K225 PolarHBondContact OD1-N 3.47Å; D222-K225 VanDerWaalsContact OD1-N 3.11Å; K225-D266 HydrophobicContact CB-CB 4.31Å; K225-D266 HydrophobicContact CD-CB 3.9Å; K225-D266 WeakPolarHBondContact CE-OD1 3.45Å; K225-D266 HydrophobicContact CG-CB 3.97Å; K225-D266 IonicContact NZ-OD1 3.07Å; K225-D266 PolarHBondContact NZ-OD1 3.02Å
226	S	75.6	Confident	86.3	Confident	26 Å²	26	38.9 Å²	38.9	18%	0.182	20%	0.204	C	C	.	.			trans	-68.7	151.5	-178.3	65.3	0	0	0	0	111	D222 N224 I228 K262	D222-S226 PolarHBondContact OD2-N 3.43Å; D222-S226 PolarHBondContact OD2-OG 3.42Å; N224-S226 PolarHBondContact O-N 3.45Å; S226-I228 PolarHBondContact O-N 2.87Å; S226-K262 PolarHBondContact O-NZ 3.1Å
227	E	82.3	Confident	86.5	Confident	121 Å²	121	43.5 Å²	43.5	57%	0.565	23%	0.229	S	C	*	.			trans	-63.3	135.4	165.5	-69.2	179.8	174.7	0	0	109.1	S229 N230 F231	E227-S229 PolarHBondContact O-N 3.4Å; E227-N230 HydrophobicContact CB-CB 4.18Å; E227-N230 PolarHBondContact O-N 3Å; E227-N230 PolarHBondContact OE2-ND2 3.37Å; E227-F231 PolarHBondContact O-N 3.48Å; E227-F231 VanDerWaalsContact O-N 3.07Å
228	I	86.5	Confident	86.5	Confident	28 Å²	28	44 Å²	44	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-41.1	-173.5	-59.5	171.1	0	0	0	110.9	S226 N230 Y232 L260 K262 E347 H349 A356	S226-I228 PolarHBondContact O-N 2.87Å; I228-N230 VanDerWaalsContact C-N 3.34Å; I228-N230 PolarHBondContact O-N 3.49Å; I228-Y232 HydrophobicContact CG2-CD2 4.26Å; I228-Y232 HydrophobicContact CG2-CE2 4.14Å; I228-Y232 WeakPolarHBondContact O-CD2 3.48Å; I228-Y232 PolarHBondContact O-N 2.93Å; I228-L260 HydrophobicContact CB-CD2 4.36Å; I228-L260 HydrophobicContact CG1-CD2 4.27Å; I228-L260 HydrophobicContact CG2-CD2 4.01Å; I228-K262 HydrophobicContact CD1-CD 4.07Å; I228-K262 HydrophobicContact CG1-CD 3.68Å; I228-E347 WeakPolarHBondContact CD1-OE1 3.37Å; I228-H349 HydrophobicContact CG2-CB 4.05Å; I228-A356 HydrophobicContact CG2-CB 3.5Å
229	S	85.2	Confident	86.2	Confident	59 Å²	59	43.9 Å²	43.9	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-41.1	175.9	46.3	0	0	0	0	112.3	E227 T233	E227-S229 PolarHBondContact O-N 3.4Å; S229-T233 VanDerWaalsContact O-CB 3.25Å; S229-T233 WeakPolarHBondContact O-CB 3.15Å; S229-T233 PolarHBondContact O-N 2.92Å; S229-T233 PolarHBondContact O-OG1 2.83Å
230	N	87.6	Confident	85.9	Confident	87 Å²	87	46.1 Å²	46.1	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-71.2	-37.9	-175.7	-64.5	-12.9	0	0	0	111	E227 I228 T233 Y234	E227-N230 HydrophobicContact CB-CB 4.18Å; E227-N230 PolarHBondContact O-N 3Å; E227-N230 PolarHBondContact OE2-ND2 3.37Å; I228-N230 VanDerWaalsContact C-N 3.34Å; I228-N230 PolarHBondContact O-N 3.49Å; N230-T233 PolarHBondContact O-N 2.86Å; N230-Y234 VanDerWaalsContact O-CB 3.29Å; N230-Y234 WeakPolarHBondContact O-CB 3.24Å; N230-Y234 PolarHBondContact O-N 3.31Å
231	F	90.3	Very high	85.6	Confident	3 Å²	3	52.5 Å²	52.5	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-54.8	-54.3	173.8	172.6	-100.1	0	0	0	111.9	T196 L199 H220 E227 Y234 L235 L260	T196-F231 HydrophobicContact CG2-CD2 3.85Å; T196-F231 HydrophobicContact CG2-CE2 4Å; L199-F231 HydrophobicContact CD2-CE2 3.83Å; L199-F231 HydrophobicContact CD2-CZ 3.62Å; H220-F231 HydrophobicContact CB-CZ 4.25Å; H220-F231 AromaticContact CD2-CE2 3.28Å; H220-F231 WeakPolarHBondContact CD2-CE2 3.2Å; H220-F231 AromaticContact CD2-CZ 3.5Å; H220-F231 VanDerWaalsContact CD2-CZ 3.5Å; H220-F231 WeakPolarHBondContact CD2-CZ 3.43Å; H220-F231 AromaticContact NE2-CE2 3.52Å; E227-F231 PolarHBondContact O-N 3.48Å; E227-F231 VanDerWaalsContact O-N 3.07Å; F231-Y234 WeakPolarHBondContact O-CB 3.31Å; F231-Y234 PolarHBondContact O-N 2.72Å; F231-L235 HydrophobicContact CD1-CD1 4.45Å; F231-L235 HydrophobicContact CE1-CD1 3.75Å; F231-L235 HydrophobicContact CE2-CD1 4.39Å; F231-L235 HydrophobicContact CZ-CD1 3.72Å; F231-L235 PolarHBondContact O-N 3.29Å; F231-L260 HydrophobicContact CB-CD2 4.34Å; F231-L260 HydrophobicContact CD1-CB 4.39Å; F231-L260 HydrophobicContact CD1-CD1 3.9Å; F231-L260 HydrophobicContact CD1-CD2 3.94Å; F231-L260 HydrophobicContact CD1-CG 4.31Å; F231-L260 HydrophobicContact CD2-CD1 4.25Å; F231-L260 HydrophobicContact CE1-CB 4.29Å; F231-L260 HydrophobicContact CE1-CD1 3.87Å; F231-L260 HydrophobicContact CE1-CG 4.48Å; F231-L260 HydrophobicContact CE2-CD1 4.23Å; F231-L260 HydrophobicContact CG-CD1 4.09Å; F231-L260 HydrophobicContact CG-CD2 4.21Å; F231-L260 HydrophobicContact CZ-CD1 4.03Å
232	Y	91	Very high	85.4	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-73.5	-34.5	-177.4	-73	-63.6	0	0	0	113.4	I228 Y234 L235 D236 V258 L260 H349 M350 W351 A356	I228-Y232 HydrophobicContact CG2-CD2 4.26Å; I228-Y232 HydrophobicContact CG2-CE2 4.14Å; I228-Y232 WeakPolarHBondContact O-CD2 3.48Å; I228-Y232 PolarHBondContact O-N 2.93Å; Y232-Y234 VanDerWaalsContact C-N 3.28Å; Y232-Y234 PolarHBondContact O-N 2.85Å; Y232-L235 HydrophobicContact CD1-CD1 4.5Å; Y232-L235 PolarHBondContact O-N 3.47Å; Y232-D236 PolarHBondContact O-N 3.49Å; Y232-V258 PolarHBondContact OH-O 3.38Å; Y232-V258 VanDerWaalsContact OH-O 3.08Å; Y232-L260 HydrophobicContact CE2-CB 4.12Å; Y232-L260 HydrophobicContact CE2-CD2 4.33Å; Y232-L260 WeakPolarHBondContact OH-CB 3.11Å; Y232-L260 PolarHBondContact OH-N 3.26Å; Y232-H349 HydrophobicContact CE2-CB 4.26Å; Y232-H349 VanDerWaalsContact OH-C 3.28Å; Y232-H349 PolarHBondContact OH-O 3.29Å; Y232-M350 WeakPolarHBondContact OH-CA 3.43Å; Y232-W351 HydrophobicContact CD1-CB 3.56Å; Y232-W351 HydrophobicContact CD1-CD2 4.12Å; Y232-W351 HydrophobicContact CD1-CE3 4.1Å; Y232-W351 AromaticContact CD1-CG 3.95Å; Y232-W351 HydrophobicContact CD1-CG 3.95Å; Y232-W351 HydrophobicContact CD2-CD2 4.45Å; Y232-W351 AromaticContact CD2-CE3 3.63Å; Y232-W351 HydrophobicContact CD2-CE3 3.63Å; Y232-W351 HydrophobicContact CD2-CZ3 4.13Å; Y232-W351 HydrophobicContact CE1-CB 3.69Å; Y232-W351 HydrophobicContact CG-CB 4.06Å; Y232-W351 AromaticContact CG-CD2 3.8Å; Y232-W351 HydrophobicContact CG-CD2 3.8Å; Y232-W351 AromaticContact CG-CE3 3.36Å; Y232-W351 HydrophobicContact CG-CE3 3.36Å; Y232-W351 HydrophobicContact CG-CG 4.13Å; Y232-W351 AromaticContact CG-CZ3 3.97Å; Y232-W351 HydrophobicContact CG-CZ3 3.97Å; Y232-A356 HydrophobicContact CD2-CB 3.96Å; Y232-A356 HydrophobicContact CE2-CB 4.14Å
233	T	89.4	Confident	85.5	Confident	57 Å²	57	59.3 Å²	59.3	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-38.3	174.6	-56.8	0	0	0	0	110.7	S229 N230 D236 N237	S229-T233 VanDerWaalsContact O-CB 3.25Å; S229-T233 WeakPolarHBondContact O-CB 3.15Å; S229-T233 PolarHBondContact O-N 2.92Å; S229-T233 PolarHBondContact O-OG1 2.83Å; N230-T233 PolarHBondContact O-N 2.86Å; T233-D236 PolarHBondContact O-N 2.84Å; T233-N237 VanDerWaalsContact O-CB 3.32Å; T233-N237 WeakPolarHBondContact O-CB 3.13Å; T233-N237 PolarHBondContact O-N 3.3Å; T233-N237 PolarHBondContact O-ND2 2.82Å
234	Y	90.5	Very high	86.2	Confident	87 Å²	87	60.1 Å²	60.1	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-47.3	173.6	178.4	-86.5	0	0	0	111.7	T196 L197 N230 F231 Y232 N237 N238	T196-Y234 HydrophobicContact CG2-CD1 3.37Å; T196-Y234 HydrophobicContact CG2-CE1 3.77Å; T196-Y234 HydrophobicContact CG2-CG 4.02Å; L197-Y234 WeakPolarHBondContact CD1-OH 3.41Å; N230-Y234 VanDerWaalsContact O-CB 3.29Å; N230-Y234 WeakPolarHBondContact O-CB 3.24Å; N230-Y234 PolarHBondContact O-N 3.31Å; F231-Y234 WeakPolarHBondContact O-CB 3.31Å; F231-Y234 PolarHBondContact O-N 2.72Å; Y232-Y234 VanDerWaalsContact C-N 3.28Å; Y232-Y234 PolarHBondContact O-N 2.85Å; Y234-N237 PolarHBondContact O-N 3.22Å; Y234-N238 WeakPolarHBondContact O-CB 3.34Å; Y234-N238 PolarHBondContact O-N 2.93Å
235	L	89.6	Confident	87	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-44.6	176.8	-65.7	-179.8	0	0	0	111.6	L199 F231 Y232 N237 N238 A239 Y255	L199-L235 HydrophobicContact CD2-CD1 4.45Å; L199-L235 HydrophobicContact CD2-CD2 4.48Å; F231-L235 HydrophobicContact CD1-CD1 4.45Å; F231-L235 HydrophobicContact CE1-CD1 3.75Å; F231-L235 HydrophobicContact CE2-CD1 4.39Å; F231-L235 HydrophobicContact CZ-CD1 3.72Å; F231-L235 PolarHBondContact O-N 3.29Å; Y232-L235 HydrophobicContact CD1-CD1 4.5Å; Y232-L235 PolarHBondContact O-N 3.47Å; L235-N237 PolarHBondContact O-N 2.69Å; L235-N238 PolarHBondContact O-N 2.77Å; L235-A239 PolarHBondContact O-N 3.35Å; L235-Y255 HydrophobicContact CB-CD1 4.39Å; L235-Y255 HydrophobicContact CB-CD2 3.89Å; L235-Y255 HydrophobicContact CB-CE1 4.45Å; L235-Y255 HydrophobicContact CB-CE2 3.96Å; L235-Y255 HydrophobicContact CB-CG 4.12Å; L235-Y255 HydrophobicContact CD1-CD1 4.26Å; L235-Y255 HydrophobicContact CD1-CG 4.49Å; L235-Y255 HydrophobicContact CD2-CE1 4.09Å; L235-Y255 WeakPolarHBondContact O-CE2 3.21Å
236	D	87.6	Confident	87.7	Confident	51 Å²	51	59.6 Å²	59.6	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-36.7	180	-161.7	27	0	0	0	112.7	Y232 T233 A239 G240 R252	Y232-D236 PolarHBondContact O-N 3.49Å; T233-D236 PolarHBondContact O-N 2.84Å; D236-A239 PolarHBondContact O-N 2.93Å; D236-G240 PolarHBondContact O-N 2.76Å; D236-R252 WeakPolarHBondContact OD1-CD 3.26Å; D236-R252 WeakPolarHBondContact OD1-CG 3.46Å; D236-R252 IonicContact OD1-CZ 3.37Å; D236-R252 IonicContact OD1-NE 2.82Å; D236-R252 PolarHBondContact OD1-NE 2.78Å
237	N	89.8	Confident	88.3	Confident	102 Å²	102	59.6 Å²	59.6	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-45.2	171.4	-73.2	-19.9	0	0	0	111.2	T233 Y234 L235 A239 G240 E241	T233-N237 VanDerWaalsContact O-CB 3.32Å; T233-N237 WeakPolarHBondContact O-CB 3.13Å; T233-N237 PolarHBondContact O-N 3.3Å; T233-N237 PolarHBondContact O-ND2 2.82Å; Y234-N237 PolarHBondContact O-N 3.22Å; L235-N237 PolarHBondContact O-N 2.69Å; N237-A239 VanDerWaalsContact C-N 3.29Å; N237-A239 PolarHBondContact O-N 2.76Å; N237-G240 WeakPolarHBondContact O-CA 3.37Å; N237-G240 PolarHBondContact O-N 2.75Å; N237-E241 PolarHBondContact O-N 2.73Å
238	N	89.7	Confident	88.7	Confident	11 Å²	11	54 Å²	54	6%	0.059	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-33.9	177.3	-171.3	-105.2	0	0	0	112.6	S200 K204 Y234 L235 G240 E241 Y255	S200-N238 WeakPolarHBondContact CB-OD1 3.45Å; K204-N238 WeakPolarHBondContact CE-OD1 3.49Å; K204-N238 PolarHBondContact NZ-OD1 2.79Å; Y234-N238 WeakPolarHBondContact O-CB 3.34Å; Y234-N238 PolarHBondContact O-N 2.93Å; L235-N238 PolarHBondContact O-N 2.77Å; N238-G240 VanDerWaalsContact C-N 3.31Å; N238-E241 PolarHBondContact ND2-OE2 2.87Å; N238-E241 PolarHBondContact O-N 2.92Å; N238-Y255 PolarHBondContact OD1-OH 3.13Å
239	A	87.3	Confident	88.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.2	-29.3	170	0	0	0	0	0	113.4	L235 D236 N237 E241 E242 A248 L251 R252 Y255	L235-A239 PolarHBondContact O-N 3.35Å; D236-A239 PolarHBondContact O-N 2.93Å; N237-A239 VanDerWaalsContact C-N 3.29Å; N237-A239 PolarHBondContact O-N 2.76Å; A239-E241 PolarHBondContact O-N 3.45Å; A239-E242 WeakPolarHBondContact O-CB 3.28Å; A239-E242 PolarHBondContact O-N 3.36Å; A239-A248 WeakPolarHBondContact O-CB 3.43Å; A239-L251 HydrophobicContact CB-CB 4.21Å; A239-L251 HydrophobicContact CB-CD2 4.04Å; A239-L251 HydrophobicContact CB-CG 4.14Å; A239-R252 HydrophobicContact CB-CG 3.66Å; A239-Y255 HydrophobicContact CB-CD2 4.2Å; A239-Y255 HydrophobicContact CB-CE2 3.75Å
240	G	87.2	Confident	88.9	Confident	46 Å²	46	60 Å²	60	47%	0.474	33%	0.333	S	S	.	.	H	α-helix	trans	-66.9	-22.4	173.6	0	0	0	0	0	114.1	D236 N237 N238 E242	D236-G240 PolarHBondContact O-N 2.76Å; N237-G240 WeakPolarHBondContact O-CA 3.37Å; N237-G240 PolarHBondContact O-N 2.75Å; N238-G240 VanDerWaalsContact C-N 3.31Å; G240-E242 VanDerWaalsContact C-N 3.28Å; G240-E242 PolarHBondContact O-N 3.47Å
241	E	89.6	Confident	89	Confident	138 Å²	138	55.9 Å²	55.9	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-10	176.7	-64.1	174	170.3	0	0	113.4	N237 N238 A239	N237-E241 PolarHBondContact O-N 2.73Å; N238-E241 PolarHBondContact ND2-OE2 2.87Å; N238-E241 PolarHBondContact O-N 2.92Å; A239-E241 PolarHBondContact O-N 3.45Å
242	E	87.3	Confident	89	Confident	30 Å²	30	60.1 Å²	60.1	14%	0.14	33%	0.326	C	S	.	.			trans	-68.6	127.5	177.7	-72.9	-81.5	146.9	0	0	111	K204 K207 A239 G240 N244 S247 A248 L251	K204-E242 WeakPolarHBondContact CE-OE1 3.29Å; K207-E242 VanDerWaalsContact NZ-CD 3.31Å; K207-E242 IonicContact NZ-OE1 3.56Å; K207-E242 PolarHBondContact NZ-OE1 3.2Å; K207-E242 IonicContact NZ-OE2 3.14Å; K207-E242 PolarHBondContact NZ-OE2 3.02Å; A239-E242 WeakPolarHBondContact O-CB 3.28Å; A239-E242 PolarHBondContact O-N 3.36Å; G240-E242 VanDerWaalsContact C-N 3.28Å; G240-E242 PolarHBondContact O-N 3.47Å; E242-N244 PolarHBondContact O-N 2.91Å; E242-S247 VanDerWaalsContact OE2-CB 3.29Å; E242-S247 WeakPolarHBondContact OE2-CB 3.33Å; E242-A248 HydrophobicContact CB-CB 4Å; E242-L251 HydrophobicContact CG-CD2 3.93Å
243	P	87.7	Confident	88.8	Confident	130 Å²	130	65.3 Å²	65.3	84%	0.844	35%	0.349	S	S	*	.	S	Bend	trans	-67.6	-24.5	-173.2	25.7	-34.4	0	0	0	113.4
244	N	89	Confident	88.8	Confident	68 Å²	68	63 Å²	63	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-103	123.1	179.4	178.4	-3.8	0	0	0	110	E242 I246 S247 A248	E242-N244 PolarHBondContact O-N 2.91Å; N244-I246 PolarHBondContact O-N 3.38Å; N244-I246 VanDerWaalsContact O-N 3.15Å; N244-I246 WeakPolarHBondContact OD1-CB 3.43Å; N244-I246 PolarHBondContact OD1-N 2.92Å; N244-S247 WeakPolarHBondContact O-CA 3.47Å; N244-S247 WeakPolarHBondContact O-CB 3.25Å; N244-S247 PolarHBondContact O-N 2.77Å; N244-A248 PolarHBondContact O-N 3.35Å
245	P	89.9	Confident	88.7	Confident	104 Å²	104	59 Å²	59	68%	0.675	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-28.3	178.5	23.8	-34.4	0	0	0	113.4	A249	P245-A249 VanDerWaalsContact O-CB 3.29Å; P245-A249 WeakPolarHBondContact O-CB 3.45Å; P245-A249 PolarHBondContact O-N 3.28Å
246	I	88.9	Confident	88.4	Confident	101 Å²	101	64 Å²	64	52%	0.518	34%	0.338	S	S	.	.	H	α-helix	trans	-69.5	-41.3	174.8	-59.1	173.9	0	0	0	110.4	N244 A249 R250	N244-I246 PolarHBondContact O-N 3.38Å; N244-I246 VanDerWaalsContact O-N 3.15Å; N244-I246 WeakPolarHBondContact OD1-CB 3.43Å; N244-I246 PolarHBondContact OD1-N 2.92Å; I246-A249 PolarHBondContact O-N 3.37Å; I246-R250 VanDerWaalsContact O-CG 3.32Å; I246-R250 WeakPolarHBondContact O-CG 3.36Å; I246-R250 PolarHBondContact O-N 3.04Å
247	S	87.9	Confident	88.2	Confident	26 Å²	26	63.4 Å²	63.4	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-44.5	176.4	-60.9	0	0	0	0	111.1	E242 N244 A249 R250 L251	E242-S247 VanDerWaalsContact OE2-CB 3.29Å; E242-S247 WeakPolarHBondContact OE2-CB 3.33Å; N244-S247 WeakPolarHBondContact O-CA 3.47Å; N244-S247 WeakPolarHBondContact O-CB 3.25Å; N244-S247 PolarHBondContact O-N 2.77Å; S247-A249 PolarHBondContact O-N 3.23Å; S247-R250 PolarHBondContact O-N 2.95Å; S247-L251 WeakPolarHBondContact O-CB 3.5Å; S247-L251 PolarHBondContact O-N 2.85Å
248	A	89.8	Confident	88.3	Confident	5 Å²	5	58.5 Å²	58.5	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-47.2	173.1	0	0	0	0	0	111.6	A239 E242 N244 R250 L251 R252	A239-A248 WeakPolarHBondContact O-CB 3.43Å; E242-A248 HydrophobicContact CB-CB 4Å; N244-A248 PolarHBondContact O-N 3.35Å; A248-R250 PolarHBondContact O-N 3.04Å; A248-L251 PolarHBondContact O-N 2.82Å; A248-R252 WeakPolarHBondContact O-CG 3.11Å; A248-R252 PolarHBondContact O-N 2.79Å
249	A	89	Confident	88.4	Confident	55 Å²	55	58 Å²	58	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-39.6	178.5	0	0	0	0	0	112.7	P245 I246 S247 K253	P245-A249 VanDerWaalsContact O-CB 3.29Å; P245-A249 WeakPolarHBondContact O-CB 3.45Å; P245-A249 PolarHBondContact O-N 3.28Å; I246-A249 PolarHBondContact O-N 3.37Å; S247-A249 PolarHBondContact O-N 3.23Å; A249-K253 WeakPolarHBondContact O-CB 3.46Å; A249-K253 PolarHBondContact O-N 3.23Å
250	R	88.3	Confident	88.7	Confident	158 Å²	158	58 Å²	58	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-63.1	-44.2	174.2	-75.4	176.8	-177.7	-172.7	1.6	111.5	K207 I246 S247 A248 K253 L254	K207-R250 HydrophobicContact CG-CB 4.45Å; I246-R250 VanDerWaalsContact O-CG 3.32Å; I246-R250 WeakPolarHBondContact O-CG 3.36Å; I246-R250 PolarHBondContact O-N 3.04Å; S247-R250 PolarHBondContact O-N 2.95Å; A248-R250 PolarHBondContact O-N 3.04Å; R250-K253 WeakPolarHBondContact O-CB 3.45Å; R250-K253 PolarHBondContact O-N 3.04Å; R250-L254 WeakPolarHBondContact O-CG 3.41Å; R250-L254 PolarHBondContact O-N 3.43Å
251	L	89.5	Confident	89	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-45.2	-179.7	-168.4	58.7	0	0	0	111.5	F203 K204 K207 A239 E242 S247 A248 K253 L254 Y255	F203-L251 HydrophobicContact CB-CD1 3.73Å; K204-L251 HydrophobicContact CG-CD2 4.16Å; K207-L251 HydrophobicContact CD-CB 4.46Å; A239-L251 HydrophobicContact CB-CB 4.21Å; A239-L251 HydrophobicContact CB-CD2 4.04Å; A239-L251 HydrophobicContact CB-CG 4.14Å; E242-L251 HydrophobicContact CG-CD2 3.93Å; S247-L251 WeakPolarHBondContact O-CB 3.5Å; S247-L251 PolarHBondContact O-N 2.85Å; A248-L251 PolarHBondContact O-N 2.82Å; L251-K253 PolarHBondContact O-N 3.26Å; L251-L254 HydrophobicContact CD1-CD1 4.46Å; L251-L254 WeakPolarHBondContact O-CA 3.43Å; L251-L254 WeakPolarHBondContact O-CB 3.25Å; L251-L254 PolarHBondContact O-N 3.08Å; L251-Y255 HydrophobicContact CD1-CE1 4.01Å; L251-Y255 HydrophobicContact CD1-CE2 4.28Å; L251-Y255 HydrophobicContact CD2-CE2 4.12Å; L251-Y255 WeakPolarHBondContact CD2-OH 3.49Å; L251-Y255 HydrophobicContact CG-CD2 4.36Å; L251-Y255 HydrophobicContact CG-CE1 4.25Å; L251-Y255 HydrophobicContact CG-CE2 3.62Å; L251-Y255 PolarHBondContact O-N 3.39Å
252	R	89.8	Confident	89	Confident	91 Å²	91	49.8 Å²	49.8	34%	0.343	25%	0.254	S	S	.	.	H	α-helix	trans	-56.7	-37.9	170.2	-73.3	-177.5	179.3	118.5	6.4	112.6	D236 A239 A248 L254 Y255 R256	D236-R252 WeakPolarHBondContact OD1-CD 3.26Å; D236-R252 WeakPolarHBondContact OD1-CG 3.46Å; D236-R252 IonicContact OD1-CZ 3.37Å; D236-R252 IonicContact OD1-NE 2.82Å; D236-R252 PolarHBondContact OD1-NE 2.78Å; A239-R252 HydrophobicContact CB-CG 3.66Å; A248-R252 WeakPolarHBondContact O-CG 3.11Å; A248-R252 PolarHBondContact O-N 2.79Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-Y255 PolarHBondContact O-N 3.5Å; R252-R256 WeakPolarHBondContact O-CG 3.48Å; R252-R256 PolarHBondContact O-N 3.13Å
253	K	88.2	Confident	89	Confident	110 Å²	110	48.8 Å²	48.8	48%	0.478	25%	0.249	S	C	.	.	H	α-helix	trans	-65.2	-36.9	176	-165.9	-179.3	177.3	-175.2	0	111.6	L214 A249 R250 L251 H257	L214-K253 HydrophobicContact CD1-CD 3.91Å; L214-K253 VanDerWaalsContact CD1-CE 3.48Å; L214-K253 HydrophobicContact CD2-CD 4.28Å; L214-K253 HydrophobicContact CD2-CG 4.01Å; A249-K253 WeakPolarHBondContact O-CB 3.46Å; A249-K253 PolarHBondContact O-N 3.23Å; R250-K253 WeakPolarHBondContact O-CB 3.45Å; R250-K253 PolarHBondContact O-N 3.04Å; L251-K253 PolarHBondContact O-N 3.26Å; K253-H257 PolarHBondContact O-CE1 3.2Å; K253-H257 PolarHBondContact O-ND1 2.76Å
254	L	88.7	Confident	88.9	Confident	9 Å²	9	44.4 Å²	44.4	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-45.3	173.3	-64.7	172	0	0	0	111.5	F203 K207 P213 L214 R250 L251 R252 R256 H257	F203-L254 HydrophobicContact CD1-CB 3.93Å; F203-L254 HydrophobicContact CD1-CD1 4.49Å; F203-L254 HydrophobicContact CE1-CB 4.21Å; K207-L254 HydrophobicContact CB-CD1 3.83Å; K207-L254 HydrophobicContact CG-CD1 4.48Å; P213-L254 HydrophobicContact CB-CD1 4.19Å; P213-L254 HydrophobicContact CB-CD2 3.61Å; P213-L254 HydrophobicContact CG-CD2 4.01Å; L214-L254 HydrophobicContact CD2-CD2 3.8Å; L214-L254 HydrophobicContact CG-CD2 4.15Å; R250-L254 WeakPolarHBondContact O-CG 3.41Å; R250-L254 PolarHBondContact O-N 3.43Å; L251-L254 HydrophobicContact CD1-CD1 4.46Å; L251-L254 WeakPolarHBondContact O-CA 3.43Å; L251-L254 WeakPolarHBondContact O-CB 3.25Å; L251-L254 PolarHBondContact O-N 3.08Å; R252-L254 VanDerWaalsContact C-N 3.33Å; L254-R256 PolarHBondContact O-N 2.74Å; L254-R256 VanDerWaalsContact O-N 3.17Å; L254-H257 PolarHBondContact O-N 2.75Å
255	Y	88	Confident	88.5	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-27.6	178.8	-63.2	-29.9	0	0	0	114.2	F203 L235 N238 A239 L251 R252 H257 V258	F203-Y255 HydrophobicContact CB-CD1 4.37Å; F203-Y255 HydrophobicContact CB-CE1 3.51Å; F203-Y255 HydrophobicContact CD1-CD1 4.15Å; F203-Y255 HydrophobicContact CD1-CE1 4.1Å; F203-Y255 AromaticContact CD2-CD1 3.84Å; F203-Y255 HydrophobicContact CD2-CD1 3.84Å; F203-Y255 AromaticContact CD2-CE1 3.42Å; F203-Y255 HydrophobicContact CD2-CE1 3.42Å; F203-Y255 VanDerWaalsContact CD2-CE1 3.42Å; F203-Y255 HydrophobicContact CE1-CD1 4.46Å; F203-Y255 HydrophobicContact CE2-CD1 4.17Å; F203-Y255 HydrophobicContact CE2-CE1 4.19Å; F203-Y255 AromaticContact CG-CD1 3.86Å; F203-Y255 HydrophobicContact CG-CD1 3.86Å; F203-Y255 AromaticContact CG-CE1 3.41Å; F203-Y255 HydrophobicContact CG-CE1 3.41Å; F203-Y255 VanDerWaalsContact CG-CE1 3.41Å; L235-Y255 HydrophobicContact CB-CD1 4.39Å; L235-Y255 HydrophobicContact CB-CD2 3.89Å; L235-Y255 HydrophobicContact CB-CE1 4.45Å; L235-Y255 HydrophobicContact CB-CE2 3.96Å; L235-Y255 HydrophobicContact CB-CG 4.12Å; L235-Y255 HydrophobicContact CD1-CD1 4.26Å; L235-Y255 HydrophobicContact CD1-CG 4.49Å; L235-Y255 HydrophobicContact CD2-CE1 4.09Å; L235-Y255 WeakPolarHBondContact O-CE2 3.21Å; N238-Y255 PolarHBondContact OD1-OH 3.13Å; A239-Y255 HydrophobicContact CB-CD2 4.2Å; A239-Y255 HydrophobicContact CB-CE2 3.75Å; L251-Y255 HydrophobicContact CD1-CE1 4.01Å; L251-Y255 HydrophobicContact CD1-CE2 4.28Å; L251-Y255 HydrophobicContact CD2-CE2 4.12Å; L251-Y255 WeakPolarHBondContact CD2-OH 3.49Å; L251-Y255 HydrophobicContact CG-CD2 4.36Å; L251-Y255 HydrophobicContact CG-CE1 4.25Å; L251-Y255 HydrophobicContact CG-CE2 3.62Å; L251-Y255 PolarHBondContact O-N 3.39Å; R252-Y255 PolarHBondContact O-N 3.5Å; Y255-H257 PolarHBondContact O-N 2.61Å; Y255-V258 WeakPolarHBondContact O-CB 3.25Å; Y255-V258 PolarHBondContact O-N 2.92Å
256	R	83.6	Confident	87.7	Confident	106 Å²	106	38.4 Å²	38.4	40%	0.4	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.1	173.1	-72	173.7	-172.8	-163.7	-2.3	114	R252 L254	R252-R256 WeakPolarHBondContact O-CG 3.48Å; R252-R256 PolarHBondContact O-N 3.13Å; L254-R256 PolarHBondContact O-N 2.74Å; L254-R256 VanDerWaalsContact O-N 3.17Å
257	H	83.7	Confident	86.9	Confident	37 Å²	37	36.9 Å²	36.9	17%	0.171	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	19	179.4	-56.9	80.1	0	0	0	111.9	K253 L254 Y255 D390 L391	K253-H257 PolarHBondContact O-CE1 3.2Å; K253-H257 PolarHBondContact O-ND1 2.76Å; L254-H257 PolarHBondContact O-N 2.75Å; Y255-H257 PolarHBondContact O-N 2.61Å; H257-D390 PolarHBondContact CD2-O 3.5Å; H257-L391 VanDerWaalsContact O-CD2 3.27Å; H257-L391 WeakPolarHBondContact O-CD2 3.21Å
258	V	90.4	Very high	86.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.6	175.7	-174.2	0	0	0	0	109.9	F203 I218 H220 Y232 Y255	F203-V258 HydrophobicContact CE1-CG2 3.83Å; F203-V258 HydrophobicContact CE2-CG2 3.7Å; F203-V258 HydrophobicContact CZ-CB 4.46Å; F203-V258 HydrophobicContact CZ-CG2 3.12Å; I218-V258 HydrophobicContact CG2-CG1 4.46Å; I218-V258 WeakPolarHBondContact O-CA 3.3Å; H220-V258 HydrophobicContact CB-CG1 4.24Å; Y232-V258 PolarHBondContact OH-O 3.38Å; Y232-V258 VanDerWaalsContact OH-O 3.08Å; Y255-V258 WeakPolarHBondContact O-CB 3.25Å; Y255-V258 PolarHBondContact O-N 2.92Å
259	A	93.5	Very high	86.1	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.1	171.9	0	0	0	0	0	109.8	I218 V219 H220 M348 H349 M350 L391	I218-A259 PolarHBondContact O-N 3.18Å; V219-A259 CarbonylContact C-O 3.5Å; V219-A259 WeakPolarHBondContact CA-O 3.11Å; V219-A259 HydrophobicContact CG2-CB 4.32Å; H220-A259 PolarHBondContact N-O 3.14Å; A259-M348 HydrophobicContact CB-CE 4.41Å; A259-M348 HydrophobicContact CB-CG 3.94Å; A259-M348 HydrophobicContact CB-SD 3.74Å; A259-H349 CarbonylContact C-O 3.55Å; A259-H349 VanDerWaalsContact CA-O 3.28Å; A259-H349 WeakPolarHBondContact CA-O 3.26Å; A259-M350 HydrophobicContact CB-CG 4.09Å; A259-L391 HydrophobicContact CB-CD1 4.25Å
260	L	93.4	Very high	86	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	173.3	-177.6	70.5	0	0	0	108.8	H220 D222 I228 F231 Y232 M348 H349	H220-L260 HydrophobicContact CB-CD1 4.45Å; H220-L260 CarbonylContact O-C 3.59Å; D222-L260 HydrophobicContact CB-CD1 3.96Å; I228-L260 HydrophobicContact CB-CD2 4.36Å; I228-L260 HydrophobicContact CG1-CD2 4.27Å; I228-L260 HydrophobicContact CG2-CD2 4.01Å; F231-L260 HydrophobicContact CB-CD2 4.34Å; F231-L260 HydrophobicContact CD1-CB 4.39Å; F231-L260 HydrophobicContact CD1-CD1 3.9Å; F231-L260 HydrophobicContact CD1-CD2 3.94Å; F231-L260 HydrophobicContact CD1-CG 4.31Å; F231-L260 HydrophobicContact CD2-CD1 4.25Å; F231-L260 HydrophobicContact CE1-CB 4.29Å; F231-L260 HydrophobicContact CE1-CD1 3.87Å; F231-L260 HydrophobicContact CE1-CG 4.48Å; F231-L260 HydrophobicContact CE2-CD1 4.23Å; F231-L260 HydrophobicContact CG-CD1 4.09Å; F231-L260 HydrophobicContact CG-CD2 4.21Å; F231-L260 HydrophobicContact CZ-CD1 4.03Å; Y232-L260 HydrophobicContact CE2-CB 4.12Å; Y232-L260 HydrophobicContact CE2-CD2 4.33Å; Y232-L260 WeakPolarHBondContact OH-CB 3.11Å; Y232-L260 PolarHBondContact OH-N 3.26Å; L260-M348 CarbonylContact O-C 3.54Å; L260-M348 VanDerWaalsContact O-CA 3.26Å; L260-M348 WeakPolarHBondContact O-CA 3.39Å; L260-H349 HydrophobicContact CB-CB 4.49Å; L260-H349 PolarHBondContact N-O 3.09Å; L260-H349 PolarHBondContact O-N 2.91Å
261	L	92.8	Very high	85.9	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.6	173.1	-176.6	67.5	0	0	0	109	V127 V219 H220 V221 D222 Y346 M348 V362	V127-L261 HydrophobicContact CG1-CD1 4.13Å; V127-L261 HydrophobicContact CG1-CD2 3.84Å; V127-L261 HydrophobicContact CG1-CG 4.48Å; V219-L261 HydrophobicContact CG1-CB 3.94Å; H220-L261 PolarHBondContact O-N 2.85Å; V221-L261 HydrophobicContact CG2-CD2 4.25Å; D222-L261 PolarHBondContact N-O 3.34Å; L261-Y346 HydrophobicContact CD1-CD1 4.11Å; L261-Y346 HydrophobicContact CD1-CG 4.44Å; L261-Y346 HydrophobicContact CD2-CD1 4.39Å; L261-Y346 HydrophobicContact CG-CD1 3.9Å; L261-M348 HydrophobicContact CB-CE 4.39Å; L261-M348 HydrophobicContact CD1-CB 4.42Å; L261-M348 HydrophobicContact CD1-CE 4.03Å; L261-V362 HydrophobicContact CD1-CG2 4.43Å
262	K	89.7	Confident	85.9	Confident	11 Å²	11	44 Å²	44	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	-175.3	-176.7	172.5	177.5	169.4	0	111.1	S226 I228 Y346 E347	S226-K262 PolarHBondContact O-NZ 3.1Å; I228-K262 HydrophobicContact CD1-CD 4.07Å; I228-K262 HydrophobicContact CG1-CD 3.68Å; K262-Y346 VanDerWaalsContact O-CA 3.28Å; K262-Y346 WeakPolarHBondContact O-CA 3.32Å; K262-Y346 WeakPolarHBondContact O-CD1 3.31Å; K262-E347 HydrophobicContact CB-CG 4.21Å; K262-E347 PolarHBondContact N-O 3.47Å; K262-E347 PolarHBondContact O-N 3.4Å
263	N	87.9	Confident	85.9	Confident	8 Å²	8	46 Å²	46	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.1	172.1	-174.2	-33.4	0	0	0	109.5	H265 D266 P344 Y345 Y346	N263-H265 PolarHBondContact O-N 3.41Å; N263-H265 WeakPolarHBondContact OD1-CB 3.09Å; N263-H265 PolarHBondContact OD1-CD2 3.08Å; N263-H265 PolarHBondContact OD1-N 3.05Å; N263-D266 PolarHBondContact O-N 3.12Å; N263-D266 VanDerWaalsContact O-N 3.14Å; N263-P344 WeakPolarHBondContact ND2-CB 3.39Å; N263-Y345 PolarHBondContact OD1-O 3.02Å; N263-Y346 HydrophobicContact CB-CD1 4.22Å; N263-Y346 HydrophobicContact CB-CE1 3.79Å; N263-Y346 HydrophobicContact CB-CE2 4.48Å; N263-Y346 PolarHBondContact ND2-OH 2.87Å
264	S	84.7	Confident	86	Confident	39 Å²	39	41.4 Å²	41.4	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.1	-175.9	-53.1	0	0	0	0	113.6	Y345	S264-Y345 PolarHBondContact N-O 3.36Å; S264-Y345 PolarHBondContact OG-O 2.88Å
265	H	80.1	Confident	86.2	Confident	5 Å²	5	41 Å²	41	2%	0.023	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.7	176.2	-60.8	-62.5	0	0	0	114.1	P118 N263 Y287 P333 R342 Y345	P118-H265 HydrophobicContact CG-CB 4.36Å; N263-H265 PolarHBondContact O-N 3.41Å; N263-H265 WeakPolarHBondContact OD1-CB 3.09Å; N263-H265 PolarHBondContact OD1-CD2 3.08Å; N263-H265 PolarHBondContact OD1-N 3.05Å; H265-Y287 PolarHBondContact O-OH 3.37Å; H265-P333 PolarHBondContact CE1-O 3.01Å; H265-R342 PolarHBondContact CE1-NH2 3.44Å; H265-Y345 PolarHBondContact CD2-N 3.37Å; H265-Y345 AromaticContact NE2-CD2 3.47Å; H265-Y345 WeakPolarHBondContact NE2-CD2 3.33Å; H265-Y345 PolarHBondContact NE2-N 3.22Å
266	D	74	Confident	86.4	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.219	23%	0.233	C	C	.	.	S	Bend	trans	-80.7	-9.8	175.8	-76.7	-31.5	0	0	0	112.6	K225 N263	K225-D266 HydrophobicContact CB-CB 4.31Å; K225-D266 HydrophobicContact CD-CB 3.9Å; K225-D266 WeakPolarHBondContact CE-OD1 3.45Å; K225-D266 HydrophobicContact CG-CB 3.97Å; K225-D266 IonicContact NZ-OD1 3.07Å; K225-D266 PolarHBondContact NZ-OD1 3.02Å; N263-D266 PolarHBondContact O-N 3.12Å; N263-D266 VanDerWaalsContact O-N 3.14Å
267	D	72.7	Confident	86.8	Confident	69 Å²	69	51.9 Å²	51.9	37%	0.369	25%	0.245	S	C	.	.			trans	-75.7	125.6	172.2	-158	-29.8	0	0	0	111.2	E269	D267-E269 VanDerWaalsContact C-N 3.28Å; D267-E269 WeakPolarHBondContact OD1-CB 3.48Å; D267-E269 PolarHBondContact OD1-N 3.1Å
268	M	78.1	Confident	87.1	Confident	93 Å²	93	53.1 Å²	53.1	46%	0.458	25%	0.249	S	C	.	.			trans	-83.1	-0.9	176.9	-63.9	-156.3	-157.7	0	0	113.1	K270 T271 E272	M268-K270 VanDerWaalsContact C-N 3.34Å; M268-K270 PolarHBondContact O-N 3.03Å; M268-T271 CarbonylContact O-C 3.53Å; M268-T271 WeakPolarHBondContact O-CA 3.39Å; M268-T271 VanDerWaalsContact O-CB 3.3Å; M268-T271 WeakPolarHBondContact O-CB 3.49Å; M268-T271 PolarHBondContact O-N 3.14Å; M268-E272 HydrophobicContact CB-CG 4.5Å; M268-E272 WeakPolarHBondContact O-CG 3.32Å; M268-E272 PolarHBondContact O-N 3.32Å
269	E	83.1	Confident	87.1	Confident	130 Å²	130	56.5 Å²	56.5	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-48	-50.3	-176.5	-174.3	-178	-162.8	0	0	113	D267 T271 E272 E273	D267-E269 VanDerWaalsContact C-N 3.28Å; D267-E269 WeakPolarHBondContact OD1-CB 3.48Å; D267-E269 PolarHBondContact OD1-N 3.1Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 3.11Å; E269-E272 WeakPolarHBondContact O-CB 3.4Å; E269-E272 PolarHBondContact O-N 2.5Å; E269-E273 PolarHBondContact O-N 3.26Å
270	K	85.4	Confident	86.9	Confident	59 Å²	59	58.2 Å²	58.2	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-34.9	178.1	-72	-167	172.6	-161.4	0	113.3	M268 E272 E273 F274 G332	M268-K270 VanDerWaalsContact C-N 3.34Å; M268-K270 PolarHBondContact O-N 3.03Å; K270-E272 VanDerWaalsContact C-N 3.34Å; K270-E273 PolarHBondContact O-N 2.99Å; K270-F274 WeakPolarHBondContact O-CB 3.34Å; K270-F274 PolarHBondContact O-N 3.34Å; K270-G332 VanDerWaalsContact NZ-CA 3.29Å
271	T	87.2	Confident	86.6	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-40.9	176.4	-57.4	0	0	0	0	109.9	M268 E269 A275 L286 L290	M268-T271 CarbonylContact O-C 3.53Å; M268-T271 WeakPolarHBondContact O-CA 3.39Å; M268-T271 VanDerWaalsContact O-CB 3.3Å; M268-T271 WeakPolarHBondContact O-CB 3.49Å; M268-T271 PolarHBondContact O-N 3.14Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 3.11Å; T271-A275 WeakPolarHBondContact O-CB 3.49Å; T271-A275 PolarHBondContact O-N 3.32Å; T271-L286 HydrophobicContact CG2-CB 4.22Å; T271-L286 HydrophobicContact CG2-CD2 3.9Å; T271-L286 HydrophobicContact CG2-CG 3.9Å; T271-L290 HydrophobicContact CG2-CD1 4.23Å
272	E	89.3	Confident	86.3	Confident	108 Å²	108	66.6 Å²	66.6	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-42.5	175.2	-68.4	-178.1	179.3	0	0	112.3	M268 E269 K270 A275 K276 P282	M268-E272 HydrophobicContact CB-CG 4.5Å; M268-E272 WeakPolarHBondContact O-CG 3.32Å; M268-E272 PolarHBondContact O-N 3.32Å; E269-E272 WeakPolarHBondContact O-CB 3.4Å; E269-E272 PolarHBondContact O-N 2.5Å; K270-E272 VanDerWaalsContact C-N 3.34Å; E272-A275 PolarHBondContact O-N 2.79Å; E272-K276 VanDerWaalsContact O-CB 3.3Å; E272-K276 WeakPolarHBondContact O-CB 3.49Å; E272-K276 PolarHBondContact O-N 2.91Å; E272-P282 HydrophobicContact CB-CG 4.49Å; E272-P282 HydrophobicContact CG-CB 3.9Å; E272-P282 HydrophobicContact CG-CG 4.06Å
273	E	89.9	Confident	86.2	Confident	133 Å²	133	68.1 Å²	68.1	62%	0.621	36%	0.357	S	S	*	.	H	α-helix	trans	-59.9	-47.7	175.2	-169.6	-169.6	169.6	0	0	111	E269 K270 K276 K277	E269-E273 PolarHBondContact O-N 3.26Å; K270-E273 PolarHBondContact O-N 2.99Å; E273-K276 PolarHBondContact O-N 3.49Å; E273-K277 WeakPolarHBondContact O-CB 3.35Å; E273-K277 PolarHBondContact O-N 3.24Å
274	F	90.5	Very high	85.9	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.066	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-44.4	177	-170.7	-83	0	0	0	111.6	I32 I35 K270 K276 K277 Y278 L280 L286 L290 Y330	I32-F274 HydrophobicContact CG2-CE1 4.35Å; I32-F274 HydrophobicContact CG2-CZ 4.49Å; I35-F274 HydrophobicContact CG2-CZ 4.17Å; K270-F274 WeakPolarHBondContact O-CB 3.34Å; K270-F274 PolarHBondContact O-N 3.34Å; F274-K276 VanDerWaalsContact C-N 3.33Å; F274-K276 PolarHBondContact O-N 3.06Å; F274-K277 PolarHBondContact O-N 2.9Å; F274-Y278 AromaticContact CD1-CD2 3.92Å; F274-Y278 HydrophobicContact CD1-CD2 3.92Å; F274-Y278 HydrophobicContact CD2-CD2 4.04Å; F274-Y278 AromaticContact CD2-CE2 3.97Å; F274-Y278 HydrophobicContact CD2-CE2 3.97Å; F274-Y278 AromaticContact CE1-CD2 3.64Å; F274-Y278 HydrophobicContact CE1-CD2 3.64Å; F274-Y278 HydrophobicContact CE1-CE2 4.26Å; F274-Y278 HydrophobicContact CE1-CG 4.34Å; F274-Y278 AromaticContact CE2-CD2 3.76Å; F274-Y278 HydrophobicContact CE2-CD2 3.76Å; F274-Y278 AromaticContact CE2-CE2 3.53Å; F274-Y278 HydrophobicContact CE2-CE2 3.53Å; F274-Y278 HydrophobicContact CG-CD2 4.13Å; F274-Y278 AromaticContact CZ-CD2 3.56Å; F274-Y278 HydrophobicContact CZ-CD2 3.56Å; F274-Y278 AromaticContact CZ-CE2 3.7Å; F274-Y278 HydrophobicContact CZ-CE2 3.7Å; F274-Y278 HydrophobicContact CZ-CG 4.43Å; F274-Y278 PolarHBondContact O-N 3.08Å; F274-Y278 VanDerWaalsContact O-N 3.11Å; F274-L280 HydrophobicContact CD1-CD1 4.29Å; F274-L280 HydrophobicContact CE1-CD1 3.94Å; F274-L286 HydrophobicContact CD1-CD1 4.09Å; F274-L286 HydrophobicContact CE1-CD1 4.23Å; F274-L290 HydrophobicContact CB-CD1 4Å; F274-L290 HydrophobicContact CB-CD2 4.45Å; F274-L290 HydrophobicContact CD1-CD1 4.44Å; F274-L290 HydrophobicContact CD1-CD2 3.68Å; F274-L290 HydrophobicContact CD2-CD2 3.79Å; F274-L290 HydrophobicContact CE1-CD2 3.72Å; F274-L290 HydrophobicContact CE2-CD2 3.84Å; F274-L290 HydrophobicContact CG-CD1 4.15Å; F274-L290 HydrophobicContact CG-CD2 3.7Å; F274-L290 HydrophobicContact CZ-CD2 3.8Å; F274-Y330 AromaticContact CD2-CD1 3.95Å; F274-Y330 HydrophobicContact CD2-CD1 3.95Å; F274-Y330 AromaticContact CE2-CD1 3.67Å; F274-Y330 HydrophobicContact CE2-CD1 3.67Å; F274-Y330 AromaticContact CE2-CE1 3.97Å; F274-Y330 HydrophobicContact CE2-CE1 3.97Å
275	A	91.4	Very high	85.9	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-57.9	-47.5	177.9	0	0	0	0	0	111	T271 E272 K277 Y278 G279 L280 P282 L286	T271-A275 WeakPolarHBondContact O-CB 3.49Å; T271-A275 PolarHBondContact O-N 3.32Å; E272-A275 PolarHBondContact O-N 2.79Å; A275-K277 PolarHBondContact O-N 3.15Å; A275-Y278 PolarHBondContact O-N 2.97Å; A275-G279 PolarHBondContact O-N 3.1Å; A275-L280 HydrophobicContact CB-CB 4.44Å; A275-L280 WeakPolarHBondContact CB-O 3.47Å; A275-L280 PolarHBondContact O-N 2.9Å; A275-P282 HydrophobicContact CB-CB 4.21Å; A275-P282 HydrophobicContact CB-CG 3.67Å; A275-L286 HydrophobicContact CB-CD2 3.56Å
276	K	92.6	Very high	86.3	Confident	187 Å²	187	73.8 Å²	73.8	81%	0.813	38%	0.379	S	S	*	.	H	α-helix	trans	-62	-42.2	177.4	-173.2	178.1	-178.9	179.6	0	112.1	E272 E273 F274 Y278	E272-K276 VanDerWaalsContact O-CB 3.3Å; E272-K276 WeakPolarHBondContact O-CB 3.49Å; E272-K276 PolarHBondContact O-N 2.91Å; E273-K276 PolarHBondContact O-N 3.49Å; F274-K276 VanDerWaalsContact C-N 3.33Å; F274-K276 PolarHBondContact O-N 3.06Å; K276-Y278 PolarHBondContact O-N 2.95Å
277	K	91.9	Very high	86.9	Confident	151 Å²	151	73.1 Å²	73.1	66%	0.657	37%	0.373	S	S	*	.	H	α-helix	trans	-64.2	-36.8	-179.4	-176.4	175.5	178	179.9	0	113.1	E273 F274 A275	E273-K277 WeakPolarHBondContact O-CB 3.35Å; E273-K277 PolarHBondContact O-N 3.24Å; F274-K277 PolarHBondContact O-N 2.9Å; A275-K277 PolarHBondContact O-N 3.15Å
278	Y	90.3	Very high	87.6	Confident	64 Å²	64	71.3 Å²	71.3	25%	0.251	36%	0.362	S	S	.	.	H	α-helix	trans	-107.5	6.9	-175.4	-69.1	-75.6	0	0	0	114.5	I35 N39 F274 A275 K276 L280	I35-Y278 HydrophobicContact CD1-CD1 4.38Å; I35-Y278 HydrophobicContact CG2-CD1 3.88Å; I35-Y278 HydrophobicContact CG2-CD2 4.4Å; I35-Y278 HydrophobicContact CG2-CE1 3.51Å; I35-Y278 HydrophobicContact CG2-CE2 4.08Å; I35-Y278 HydrophobicContact CG2-CG 4.32Å; N39-Y278 PolarHBondContact ND2-OH 2.8Å; N39-Y278 PolarHBondContact OD1-OH 2.79Å; F274-Y278 AromaticContact CD1-CD2 3.92Å; F274-Y278 HydrophobicContact CD1-CD2 3.92Å; F274-Y278 HydrophobicContact CD2-CD2 4.04Å; F274-Y278 AromaticContact CD2-CE2 3.97Å; F274-Y278 HydrophobicContact CD2-CE2 3.97Å; F274-Y278 AromaticContact CE1-CD2 3.64Å; F274-Y278 HydrophobicContact CE1-CD2 3.64Å; F274-Y278 HydrophobicContact CE1-CE2 4.26Å; F274-Y278 HydrophobicContact CE1-CG 4.34Å; F274-Y278 AromaticContact CE2-CD2 3.76Å; F274-Y278 HydrophobicContact CE2-CD2 3.76Å; F274-Y278 AromaticContact CE2-CE2 3.53Å; F274-Y278 HydrophobicContact CE2-CE2 3.53Å; F274-Y278 HydrophobicContact CG-CD2 4.13Å; F274-Y278 AromaticContact CZ-CD2 3.56Å; F274-Y278 HydrophobicContact CZ-CD2 3.56Å; F274-Y278 AromaticContact CZ-CE2 3.7Å; F274-Y278 HydrophobicContact CZ-CE2 3.7Å; F274-Y278 HydrophobicContact CZ-CG 4.43Å; F274-Y278 PolarHBondContact O-N 3.08Å; F274-Y278 VanDerWaalsContact O-N 3.11Å; A275-Y278 PolarHBondContact O-N 2.97Å; K276-Y278 PolarHBondContact O-N 2.95Å; Y278-L280 VanDerWaalsContact C-N 3.33Å; Y278-L280 PolarHBondContact O-N 3.09Å
279	G	90.2	Very high	88.1	Confident	71 Å²	71	66.9 Å²	66.9	73%	0.732	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	36.4	-179.6	0	0	0	0	0	113.1	A275	A275-G279 PolarHBondContact O-N 3.1Å
280	L	89.3	Confident	88.5	Confident	35 Å²	35	60.7 Å²	60.7	18%	0.183	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-102.3	165.9	176.2	-55	172.1	0	0	0	110	I32 F274 A275 Y278 L286	I32-L280 HydrophobicContact CG1-CD1 4.19Å; F274-L280 HydrophobicContact CD1-CD1 4.29Å; F274-L280 HydrophobicContact CE1-CD1 3.94Å; A275-L280 HydrophobicContact CB-CB 4.44Å; A275-L280 WeakPolarHBondContact CB-O 3.47Å; A275-L280 PolarHBondContact O-N 2.9Å; Y278-L280 VanDerWaalsContact C-N 3.33Å; Y278-L280 PolarHBondContact O-N 3.09Å; L280-L286 HydrophobicContact CB-CD2 4.28Å; L280-L286 HydrophobicContact CD1-CD1 3.88Å
281	V	88.4	Confident	88.7	Confident	114 Å²	114	57.9 Å²	57.9	69%	0.691	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-91.2	124.8	174.7	-179.9	0	0	0	0	108.8	S283	V281-S283 PolarHBondContact O-N 3.04Å; V281-S283 VanDerWaalsContact O-N 3.12Å; V281-S283 PolarHBondContact O-OG 3.29Å
282	P	85.9	Confident	89	Confident	63 Å²	63	57.8 Å²	57.8	41%	0.409	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-55.2	120.1	170.3	-17.4	27.1	0	0	0	109.1	E272 A275	E272-P282 HydrophobicContact CB-CG 4.49Å; E272-P282 HydrophobicContact CG-CB 3.9Å; E272-P282 HydrophobicContact CG-CG 4.06Å; A275-P282 HydrophobicContact CB-CB 4.21Å; A275-P282 HydrophobicContact CB-CG 3.67Å
283	S	86.6	Confident	89.1	Confident	43 Å²	43	52.6 Å²	52.6	30%	0.301	28%	0.275	S	S	.	.			trans	-154.3	157.9	-176.5	59.6	0	0	0	0	109.8	V281 T285 L286 Y287	V281-S283 PolarHBondContact O-N 3.04Å; V281-S283 VanDerWaalsContact O-N 3.12Å; V281-S283 PolarHBondContact O-OG 3.29Å; S283-T285 PolarHBondContact O-N 3.27Å; S283-L286 WeakPolarHBondContact O-CB 3.16Å; S283-L286 PolarHBondContact O-N 3.41Å; S283-L286 VanDerWaalsContact O-N 3.08Å; S283-L286 WeakPolarHBondContact OG-CB 3.35Å; S283-L286 PolarHBondContact OG-N 2.81Å; S283-L286 VanDerWaalsContact OG-N 3.15Å; S283-Y287 PolarHBondContact O-N 2.92Å
284	Y	81.8	Confident	89.2	Confident	109 Å²	109	46.3 Å²	46.3	43%	0.427	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-31.7	174.8	-176.4	-118.3	0	0	0	112.4	K117 Y287 K288	K117-Y284 PolarHBondContact NZ-OH 2.88Å; Y284-Y287 HydrophobicContact CD2-CD1 4.09Å; Y284-Y287 HydrophobicContact CE2-CD1 4.03Å; Y284-Y287 HydrophobicContact CE2-CE1 4.48Å; Y284-Y287 PolarHBondContact O-N 3.08Å; Y284-K288 HydrophobicContact CD1-CD 4.37Å; Y284-K288 HydrophobicContact CE1-CD 4.13Å; Y284-K288 WeakPolarHBondContact O-CG 3.44Å; Y284-K288 PolarHBondContact O-N 2.97Å
285	T	84.6	Confident	89.1	Confident	57 Å²	57	45.6 Å²	45.6	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-40.5	172.6	-47.4	0	0	0	0	111.6	S283 K288 A289	S283-T285 PolarHBondContact O-N 3.27Å; T285-K288 PolarHBondContact O-N 3.44Å; T285-A289 PolarHBondContact O-N 3.03Å
286	L	88.7	Confident	89	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-45.9	172.7	177.6	60	0	0	0	110.9	I32 T271 F274 A275 L280 S283 K288 A289 L290	I32-L286 HydrophobicContact CD1-CD1 3.6Å; I32-L286 HydrophobicContact CG1-CD1 4.19Å; I32-L286 HydrophobicContact CG2-CD1 4.39Å; T271-L286 HydrophobicContact CG2-CB 4.22Å; T271-L286 HydrophobicContact CG2-CD2 3.9Å; T271-L286 HydrophobicContact CG2-CG 3.9Å; F274-L286 HydrophobicContact CD1-CD1 4.09Å; F274-L286 HydrophobicContact CE1-CD1 4.23Å; A275-L286 HydrophobicContact CB-CD2 3.56Å; L280-L286 HydrophobicContact CB-CD2 4.28Å; L280-L286 HydrophobicContact CD1-CD1 3.88Å; S283-L286 WeakPolarHBondContact O-CB 3.16Å; S283-L286 PolarHBondContact O-N 3.41Å; S283-L286 VanDerWaalsContact O-N 3.08Å; S283-L286 WeakPolarHBondContact OG-CB 3.35Å; S283-L286 PolarHBondContact OG-N 2.81Å; S283-L286 VanDerWaalsContact OG-N 3.15Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.94Å; L286-A289 WeakPolarHBondContact O-CB 2.99Å; L286-A289 PolarHBondContact O-N 3.09Å; L286-A289 VanDerWaalsContact O-N 3.09Å; L286-L290 HydrophobicContact CD1-CD2 4.36Å; L286-L290 HydrophobicContact CD1-CG 4.28Å; L286-L290 HydrophobicContact CG-CD1 4.45Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.14Å; L286-L290 PolarHBondContact O-N 3.01Å
287	Y	87.1	Confident	88.8	Confident	27 Å²	27	39.4 Å²	39.4	11%	0.106	22%	0.216	C	C	.	.	H	α-helix	trans	-56.1	-44.6	176	173	-110.6	0	0	0	112.4	H265 S283 Y284 A289 L290 I291	H265-Y287 PolarHBondContact O-OH 3.37Å; S283-Y287 PolarHBondContact O-N 2.92Å; Y284-Y287 HydrophobicContact CD2-CD1 4.09Å; Y284-Y287 HydrophobicContact CE2-CD1 4.03Å; Y284-Y287 HydrophobicContact CE2-CE1 4.48Å; Y284-Y287 PolarHBondContact O-N 3.08Å; Y287-A289 PolarHBondContact O-N 3.44Å; Y287-L290 PolarHBondContact O-N 3.03Å; Y287-I291 HydrophobicContact CD1-CD1 3.96Å; Y287-I291 HydrophobicContact CE1-CD1 3.46Å; Y287-I291 VanDerWaalsContact CE1-CD1 3.46Å; Y287-I291 HydrophobicContact CE1-CG1 4.4Å; Y287-I291 HydrophobicContact CE2-CD1 4.27Å; Y287-I291 HydrophobicContact CE2-CG1 4.38Å; Y287-I291 WeakPolarHBondContact O-CG1 3.31Å; Y287-I291 PolarHBondContact O-N 2.9Å
288	K	86.7	Confident	88.6	Confident	31 Å²	31	32.4 Å²	32.4	14%	0.135	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-43.7	173.5	-75.5	176.2	165.8	-178.8	0	112.6	A79 Y284 T285 L286 L290 I291 L292	A79-K288 HydrophobicContact CB-CD 3.86Å; Y284-K288 HydrophobicContact CD1-CD 4.37Å; Y284-K288 HydrophobicContact CE1-CD 4.13Å; Y284-K288 WeakPolarHBondContact O-CG 3.44Å; Y284-K288 PolarHBondContact O-N 2.97Å; T285-K288 PolarHBondContact O-N 3.44Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.94Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 3.08Å; K288-I291 WeakPolarHBondContact O-CB 3.45Å; K288-I291 PolarHBondContact O-N 3.5Å; K288-L292 PolarHBondContact O-N 3.37Å; K288-L292 VanDerWaalsContact O-N 3.16Å
289	A	89.4	Confident	88.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-37.3	175.9	0	0	0	0	0	112.1	E29 I32 T285 L286 Y287 I291 L292 C293	E29-A289 HydrophobicContact CG-CB 3.91Å; I32-A289 HydrophobicContact CB-CB 3.96Å; I32-A289 HydrophobicContact CD1-CB 3.53Å; I32-A289 HydrophobicContact CG1-CB 4.35Å; I32-A289 HydrophobicContact CG2-CB 3.72Å; T285-A289 PolarHBondContact O-N 3.03Å; L286-A289 WeakPolarHBondContact O-CB 2.99Å; L286-A289 PolarHBondContact O-N 3.09Å; L286-A289 VanDerWaalsContact O-N 3.09Å; Y287-A289 PolarHBondContact O-N 3.44Å; A289-I291 VanDerWaalsContact C-N 3.35Å; A289-L292 WeakPolarHBondContact O-CB 3.48Å; A289-L292 PolarHBondContact O-N 3.45Å; A289-C293 PolarHBondContact O-N 3.48Å; A289-C293 PolarHBondContact O-SG 3.49Å
290	L	91.1	Very high	88	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-35.2	174.5	-64.1	-176.6	0	0	0	112.2	I32 T271 F274 L286 Y287 K288 L292 C293 D294	I32-L290 HydrophobicContact CG2-CD2 4.3Å; T271-L290 HydrophobicContact CG2-CD1 4.23Å; F274-L290 HydrophobicContact CB-CD1 4Å; F274-L290 HydrophobicContact CB-CD2 4.45Å; F274-L290 HydrophobicContact CD1-CD1 4.44Å; F274-L290 HydrophobicContact CD1-CD2 3.68Å; F274-L290 HydrophobicContact CD2-CD2 3.79Å; F274-L290 HydrophobicContact CE1-CD2 3.72Å; F274-L290 HydrophobicContact CE2-CD2 3.84Å; F274-L290 HydrophobicContact CG-CD1 4.15Å; F274-L290 HydrophobicContact CG-CD2 3.7Å; F274-L290 HydrophobicContact CZ-CD2 3.8Å; L286-L290 HydrophobicContact CD1-CD2 4.36Å; L286-L290 HydrophobicContact CD1-CG 4.28Å; L286-L290 HydrophobicContact CG-CD1 4.45Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.14Å; L286-L290 PolarHBondContact O-N 3.01Å; Y287-L290 PolarHBondContact O-N 3.03Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 3.08Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 2.81Å; L290-C293 WeakPolarHBondContact O-CB 3.34Å; L290-C293 PolarHBondContact O-N 2.84Å; L290-D294 PolarHBondContact O-N 3.17Å
291	I	90.7	Very high	87.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-41.5	170.7	-71.4	167.6	0	0	0	110.8	L116 K117 Y287 K288 A289 D294 G295	L116-I291 VanDerWaalsContact C-CG2 3.49Å; L116-I291 HydrophobicContact CB-CG2 3.37Å; L116-I291 WeakPolarHBondContact O-CG2 3.42Å; K117-I291 HydrophobicContact CB-CD1 4.17Å; K117-I291 HydrophobicContact CG-CD1 4.13Å; Y287-I291 HydrophobicContact CD1-CD1 3.96Å; Y287-I291 HydrophobicContact CE1-CD1 3.46Å; Y287-I291 VanDerWaalsContact CE1-CD1 3.46Å; Y287-I291 HydrophobicContact CE1-CG1 4.4Å; Y287-I291 HydrophobicContact CE2-CD1 4.27Å; Y287-I291 HydrophobicContact CE2-CG1 4.38Å; Y287-I291 WeakPolarHBondContact O-CG1 3.31Å; Y287-I291 PolarHBondContact O-N 2.9Å; K288-I291 WeakPolarHBondContact O-CB 3.45Å; K288-I291 PolarHBondContact O-N 3.5Å; A289-I291 VanDerWaalsContact C-N 3.35Å; I291-D294 VanDerWaalsContact O-CB 3.31Å; I291-D294 WeakPolarHBondContact O-CB 3.48Å; I291-D294 PolarHBondContact O-N 3.45Å; I291-G295 PolarHBondContact O-N 3.25Å; I291-G295 VanDerWaalsContact O-N 3.16Å
292	L	91.9	Very high	87	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-37.5	174.9	-65.5	177.9	0	0	0	111.8	L33 I76 L116 K288 A289 L290 D294 G295 L296	L33-L292 HydrophobicContact CD1-CD1 4.45Å; L33-L292 HydrophobicContact CD2-CB 3.66Å; I76-L292 HydrophobicContact CD1-CB 4.2Å; I76-L292 HydrophobicContact CD1-CD2 4.27Å; I76-L292 HydrophobicContact CG1-CB 4.48Å; I76-L292 HydrophobicContact CG1-CD2 3.74Å; L116-L292 HydrophobicContact CD1-CD2 4.21Å; K288-L292 PolarHBondContact O-N 3.37Å; K288-L292 VanDerWaalsContact O-N 3.16Å; A289-L292 WeakPolarHBondContact O-CB 3.48Å; A289-L292 PolarHBondContact O-N 3.45Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 2.81Å; L292-D294 VanDerWaalsContact C-N 3.28Å; L292-D294 PolarHBondContact O-N 2.81Å; L292-G295 WeakPolarHBondContact O-CA 3.44Å; L292-G295 PolarHBondContact O-N 3.5Å; L292-L296 PolarHBondContact O-N 2.88Å; L292-L296 VanDerWaalsContact O-N 3.09Å
293	C	91.8	Very high	86.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-35.9	171.4	-68	0	0	0	0	112.7	C36 A289 L290 G295 L296 Q297 Y330	C36-C293 HydrophobicContact CB-CB 3.61Å; C36-C293 WeakPolarHBondContact CB-SG 3.23Å; C36-C293 WeakPolarHBondContact SG-CB 3.33Å; C36-C293 CovalentContact SG-SG 2.03Å; C36-C293 PolarHBondContact SG-SG 2.99Å; A289-C293 PolarHBondContact O-N 3.48Å; A289-C293 PolarHBondContact O-SG 3.49Å; L290-C293 WeakPolarHBondContact O-CB 3.34Å; L290-C293 PolarHBondContact O-N 2.84Å; C293-G295 VanDerWaalsContact C-N 3.28Å; C293-G295 PolarHBondContact O-N 3.27Å; C293-L296 PolarHBondContact O-N 3.43Å; C293-Q297 WeakPolarHBondContact O-CB 3.49Å; C293-Q297 PolarHBondContact O-N 3.06Å; C293-Y330 HydrophobicContact CB-CD2 3.51Å; C293-Y330 HydrophobicContact CB-CE2 3.95Å; C293-Y330 HydrophobicContact CB-CG 4.06Å
294	D	91.5	Very high	85.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-39.3	171.7	-63	-16.6	0	0	0	111.4	L290 I291 L292 L296 Q297 L298 G329 Y330 S331 V334 R342	L290-D294 PolarHBondContact O-N 3.17Å; I291-D294 VanDerWaalsContact O-CB 3.31Å; I291-D294 WeakPolarHBondContact O-CB 3.48Å; I291-D294 PolarHBondContact O-N 3.45Å; L292-D294 VanDerWaalsContact C-N 3.28Å; L292-D294 PolarHBondContact O-N 2.81Å; D294-L296 VanDerWaalsContact C-N 3.35Å; D294-L296 PolarHBondContact O-N 2.9Å; D294-Q297 WeakPolarHBondContact O-CA 3.46Å; D294-Q297 WeakPolarHBondContact O-CB 3.48Å; D294-Q297 PolarHBondContact O-N 2.86Å; D294-Q297 VanDerWaalsContact O-N 3.11Å; D294-L298 WeakPolarHBondContact O-CG 3.47Å; D294-L298 PolarHBondContact O-N 3.39Å; D294-G329 VanDerWaalsContact OD1-C 3.27Å; D294-G329 WeakPolarHBondContact OD1-CA 3.28Å; D294-Y330 WeakPolarHBondContact OD1-CA 3.49Å; D294-Y330 PolarHBondContact OD1-N 2.96Å; D294-S331 PolarHBondContact OD1-N 2.86Å; D294-S331 VanDerWaalsContact OD1-N 3.09Å; D294-S331 VanDerWaalsContact OD2-CB 3.28Å; D294-S331 WeakPolarHBondContact OD2-CB 3.48Å; D294-S331 PolarHBondContact OD2-OG 3.21Å; D294-V334 HydrophobicContact CB-CG2 3.78Å; D294-R342 IonicContact OD2-CZ 3.64Å; D294-R342 IonicContact OD2-NH1 2.69Å; D294-R342 PolarHBondContact OD2-NH1 2.99Å; D294-R342 IonicContact OD2-NH2 3.78Å
295	G	90.2	Very high	84.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.6	-45.8	172.8	0	0	0	0	0	113.2	I291 L292 C293 Q297 L298	I291-G295 PolarHBondContact O-N 3.25Å; I291-G295 VanDerWaalsContact O-N 3.16Å; L292-G295 WeakPolarHBondContact O-CA 3.44Å; L292-G295 PolarHBondContact O-N 3.5Å; C293-G295 VanDerWaalsContact C-N 3.28Å; C293-G295 PolarHBondContact O-N 3.27Å; G295-Q297 VanDerWaalsContact C-N 3.32Å; G295-L298 PolarHBondContact O-N 2.79Å
296	L	88.7	Confident	83.9	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-35.9	174.1	-62.9	180	0	0	0	111.9	I19 L33 M37 I76 L292 C293 D294 L298 L299	I19-L296 HydrophobicContact CD1-CD2 3.83Å; L33-L296 HydrophobicContact CB-CD1 4.38Å; L33-L296 HydrophobicContact CD2-CD1 3.65Å; L33-L296 HydrophobicContact CD2-CG 4.34Å; M37-L296 HydrophobicContact CG-CD1 3.63Å; M37-L296 HydrophobicContact SD-CD1 4.25Å; I76-L296 HydrophobicContact CD1-CD2 3.78Å; I76-L296 HydrophobicContact CD1-CG 3.88Å; L292-L296 PolarHBondContact O-N 2.88Å; L292-L296 VanDerWaalsContact O-N 3.09Å; C293-L296 PolarHBondContact O-N 3.43Å; D294-L296 VanDerWaalsContact C-N 3.35Å; D294-L296 PolarHBondContact O-N 2.9Å; L296-L298 VanDerWaalsContact C-N 3.32Å; L296-L298 PolarHBondContact O-N 2.85Å; L296-L299 PolarHBondContact O-N 3.03Å
297	Q	88.5	Confident	82.6	Confident	53 Å²	53	39.7 Å²	39.7	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-36.3	177.5	-172.6	65.7	26	0	0	112	C293 D294 G295 L299 N300	C293-Q297 WeakPolarHBondContact O-CB 3.49Å; C293-Q297 PolarHBondContact O-N 3.06Å; D294-Q297 WeakPolarHBondContact O-CA 3.46Å; D294-Q297 WeakPolarHBondContact O-CB 3.48Å; D294-Q297 PolarHBondContact O-N 2.86Å; D294-Q297 VanDerWaalsContact O-N 3.11Å; G295-Q297 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.34Å; Q297-N300 PolarHBondContact NE2-ND2 3.44Å; Q297-N300 VanDerWaalsContact O-CB 3.28Å; Q297-N300 WeakPolarHBondContact O-CB 3.4Å; Q297-N300 PolarHBondContact O-N 3.25Å; Q297-N300 VanDerWaalsContact O-N 3.16Å; Q297-N300 PolarHBondContact O-ND2 3.27Å; Q297-N300 PolarHBondContact OE1-ND2 2.88Å
298	L	87.7	Confident	81.6	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-31.6	175.4	-72.9	166	0	0	0	112.8	L116 D294 G295 L296 N300 H321 V322 T327 V334 I336	L116-L298 HydrophobicContact CD2-CD1 3.8Å; D294-L298 WeakPolarHBondContact O-CG 3.47Å; D294-L298 PolarHBondContact O-N 3.39Å; G295-L298 PolarHBondContact O-N 2.79Å; L296-L298 VanDerWaalsContact C-N 3.32Å; L296-L298 PolarHBondContact O-N 2.85Å; L298-N300 VanDerWaalsContact C-N 3.26Å; L298-N300 PolarHBondContact O-N 3.34Å; L298-H321 PolarHBondContact O-CD2 2.84Å; L298-H321 PolarHBondContact O-NE2 3.39Å; L298-V322 HydrophobicContact CB-CB 4.42Å; L298-V322 HydrophobicContact CB-CG1 4.2Å; L298-T327 HydrophobicContact CD2-CG2 4.08Å; L298-T327 WeakPolarHBondContact CD2-OG1 3.3Å; L298-V334 HydrophobicContact CD1-CG1 4.1Å; L298-V334 HydrophobicContact CD2-CG1 4.05Å; L298-V334 HydrophobicContact CG-CG1 4.25Å; L298-I336 HydrophobicContact CD1-CD1 3.89Å; L298-I336 HydrophobicContact CD1-CG1 3.49Å; L298-I336 VanDerWaalsContact CD1-CG1 3.49Å; L298-I336 HydrophobicContact CD2-CG1 4.1Å; L298-I336 HydrophobicContact CG-CG1 4.47Å
299	L	85.9	Confident	80.7	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.042	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.8	179.6	-63	172.1	0	0	0	112.8	W43 L74 L97 L99 L296 Q297 Y302 L318 V322	W43-L299 HydrophobicContact CH2-CB 3.39Å; W43-L299 HydrophobicContact CH2-CD1 3.81Å; W43-L299 HydrophobicContact CH2-CG 4.26Å; W43-L299 HydrophobicContact CZ2-CB 3.27Å; W43-L299 HydrophobicContact CZ2-CD1 4.38Å; W43-L299 HydrophobicContact CZ2-CG 4.47Å; L74-L299 HydrophobicContact CD1-CD1 4.44Å; L74-L299 HydrophobicContact CD2-CD1 3.62Å; L97-L299 HydrophobicContact CD2-CD2 3.99Å; L99-L299 HydrophobicContact CD1-CD1 3.82Å; L99-L299 HydrophobicContact CD1-CG 4.3Å; L296-L299 PolarHBondContact O-N 3.03Å; Q297-L299 PolarHBondContact O-N 3.34Å; L299-Y302 WeakPolarHBondContact O-CB 3.27Å; L299-Y302 PolarHBondContact O-N 3.08Å; L299-L318 HydrophobicContact CD2-CD1 3.74Å; L299-L318 HydrophobicContact CD2-CG 4.47Å; L299-V322 HydrophobicContact CD2-CG1 3.75Å
300	N	81.1	Confident	79.7	Confident	22 Å²	22	50.2 Å²	50.2	12%	0.118	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	146.6	177.5	-85.7	-42.7	0	0	0	111.4	W43 Q297 L298 Y302 H321	W43-N300 PolarHBondContact NE1-OD1 3.13Å; Q297-N300 PolarHBondContact NE2-ND2 3.44Å; Q297-N300 VanDerWaalsContact O-CB 3.28Å; Q297-N300 WeakPolarHBondContact O-CB 3.4Å; Q297-N300 PolarHBondContact O-N 3.25Å; Q297-N300 VanDerWaalsContact O-N 3.16Å; Q297-N300 PolarHBondContact O-ND2 3.27Å; Q297-N300 PolarHBondContact OE1-ND2 2.88Å; L298-N300 VanDerWaalsContact C-N 3.26Å; L298-N300 PolarHBondContact O-N 3.34Å; N300-Y302 PolarHBondContact O-N 3.49Å; N300-Y302 VanDerWaalsContact O-N 3.08Å; N300-H321 PolarHBondContact O-CE1 3.49Å; N300-H321 PolarHBondContact O-NE2 2.85Å
301	N	77.8	Confident	78.6	Confident	134 Å²	134	53.4 Å²	53.4	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	7.1	178.9	-54	-31	0	0	0	115.2	T303	N301-T303 PolarHBondContact O-N 3.5Å
302	Y	78.6	Confident	77.8	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.122	31%	0.311	C	S	.	.			trans	-64.8	121.3	171.3	177.4	-107.6	0	0	0	109.7	F17 L299 N300 A304 L318 H321	F17-Y302 HydrophobicContact CE2-CD1 4.2Å; F17-Y302 HydrophobicContact CZ-CD1 4.09Å; F17-Y302 AromaticContact CZ-CE1 3.98Å; F17-Y302 HydrophobicContact CZ-CE1 3.98Å; L299-Y302 WeakPolarHBondContact O-CB 3.27Å; L299-Y302 PolarHBondContact O-N 3.08Å; N300-Y302 PolarHBondContact O-N 3.49Å; N300-Y302 VanDerWaalsContact O-N 3.08Å; Y302-A304 HydrophobicContact CE1-CB 4.28Å; Y302-L318 HydrophobicContact CD1-CD1 3.76Å; Y302-L318 HydrophobicContact CD2-CD1 3.87Å; Y302-L318 HydrophobicContact CE1-CD1 3.84Å; Y302-L318 HydrophobicContact CE2-CB 4.16Å; Y302-L318 HydrophobicContact CE2-CD1 3.95Å; Y302-L318 HydrophobicContact CG-CD1 3.76Å; Y302-H321 HydrophobicContact CD2-CB 3.71Å; Y302-H321 AromaticContact CD2-CG 3.66Å; Y302-H321 AromaticContact CD2-ND1 3.95Å; Y302-H321 HydrophobicContact CE2-CB 4.26Å
303	T	72.8	Confident	77	Confident	118 Å²	118	61.4 Å²	61.4	72%	0.724	33%	0.333	S	S	*	.			trans	-112.7	118.9	171.1	57.2	0	0	0	0	108.8	N301	N301-T303 PolarHBondContact O-N 3.5Å
304	A	68.8	Low	76.3	Confident	51 Å²	51	63.7 Å²	63.7	42%	0.421	34%	0.344	S	S	.	.			trans	-56.7	140.3	177.2	0	0	0	0	0	110.8	Y302	Y302-A304 HydrophobicContact CE1-CB 4.28Å
305	P	70	Confident	75.9	Confident	36 Å²	36	64.8 Å²	64.8	23%	0.234	35%	0.35	C	S	.	.			trans	-57.9	142.6	177.2	-16	25.1	0	0	0	111	G307 L309 Y317	P305-G307 PolarHBondContact O-N 3.48Å; P305-G307 VanDerWaalsContact O-N 3.07Å; P305-L309 HydrophobicContact CB-CD1 3.78Å; P305-L309 HydrophobicContact CG-CD1 3.9Å; P305-Y317 HydrophobicContact CB-CE1 4.47Å; P305-Y317 HydrophobicContact CG-CD1 3.57Å; P305-Y317 HydrophobicContact CG-CD2 3.59Å; P305-Y317 HydrophobicContact CG-CE1 3.91Å; P305-Y317 HydrophobicContact CG-CE2 3.93Å; P305-Y317 HydrophobicContact CG-CG 3.39Å
306	R	63.2	Low	75.8	Confident	260 Å²	260	68.3 Å²	68.3	98%	0.981	37%	0.373	S	S	*	.	S	Bend	trans	-60.5	113.4	180	-71.7	-176.1	178	178.7	-0.1	111.1
307	G	62.1	Low	75.6	Confident	53 Å²	53	74 Å²	74	55%	0.546	40%	0.395	S	S	.	.	S	Bend	trans	147.6	157.2	174.1	0	0	0	0	0	112	P305 L309	P305-G307 PolarHBondContact O-N 3.48Å; P305-G307 VanDerWaalsContact O-N 3.07Å; G307-L309 PolarHBondContact O-N 3.1Å
308	N	64.8	Low	75.5	Confident	177 Å²	177	72.3 Å²	72.3	95%	0.947	39%	0.387	S	S	*	.			trans	-73.6	65.7	171.4	-79.5	-0	0	0	0	110.2
309	L	67.6	Low	75.6	Confident	46 Å²	46	74.1 Å²	74.1	24%	0.241	39%	0.394	C	S	.	.			trans	-75.3	133.9	176.4	-66.4	176.7	0	0	0	109.5	P305 G307 Q313 Q314 Y317	P305-L309 HydrophobicContact CB-CD1 3.78Å; P305-L309 HydrophobicContact CG-CD1 3.9Å; G307-L309 PolarHBondContact O-N 3.1Å; L309-Q313 HydrophobicContact CB-CB 3.87Å; L309-Q313 HydrophobicContact CD2-CB 4.02Å; L309-Q313 HydrophobicContact CG-CB 4.41Å; L309-Q314 HydrophobicContact CB-CG 3.71Å; L309-Q314 PolarHBondContact O-NE2 3.37Å; L309-Y317 HydrophobicContact CD1-CE2 4.18Å
310	S	69.3	Low	75.6	Confident	57 Å²	57	79.1 Å²	79.1	40%	0.399	42%	0.42	S	S	.	.			trans	-62.2	158.2	170.7	71.6	0	0	0	0	110.6	V312 Q313 Q314	S310-V312 PolarHBondContact O-N 3.23Å; S310-V312 VanDerWaalsContact O-N 3.11Å; S310-Q313 CarbonylContact O-C 3.13Å; S310-Q313 WeakPolarHBondContact O-CA 3.34Å; S310-Q313 WeakPolarHBondContact O-CB 3.39Å; S310-Q313 PolarHBondContact O-N 2.98Å; S310-Q313 WeakPolarHBondContact OG-CG 3.37Å; S310-Q313 PolarHBondContact OG-N 3.41Å; S310-Q314 PolarHBondContact O-N 3.07Å
311	I	67.1	Low	75.9	Confident	66 Å²	66	80.7 Å²	80.7	34%	0.338	43%	0.427	S	S	.	.	H	α-helix	trans	-54.1	-35.4	178.5	-160.2	159.8	0	0	0	112.1	K96 Q313 Q314 L315	K96-I311 HydrophobicContact CG-CD1 4.3Å; I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 2.91Å; I311-Q314 PolarHBondContact O-N 3.39Å; I311-L315 PolarHBondContact O-N 3.42Å
312	V	73.5	Confident	76.5	Confident	67 Å²	67	74.3 Å²	74.3	41%	0.406	39%	0.393	S	S	.	.	H	α-helix	trans	-63.6	-36.9	174.5	-171.6	0	0	0	0	111.8	H95 S310 P316	H95-V312 HydrophobicContact CB-CB 4.48Å; H95-V312 HydrophobicContact CB-CG2 3.83Å; S310-V312 PolarHBondContact O-N 3.23Å; S310-V312 VanDerWaalsContact O-N 3.11Å; V312-P316 WeakPolarHBondContact O-CD 3.25Å
313	Q	76.6	Confident	77	Confident	101 Å²	101	73.1 Å²	73.1	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-78.7	-25.9	177.9	-70.3	172.3	-34.3	0	0	112.8	L309 S310 I311 Y317	L309-Q313 HydrophobicContact CB-CB 3.87Å; L309-Q313 HydrophobicContact CD2-CB 4.02Å; L309-Q313 HydrophobicContact CG-CB 4.41Å; S310-Q313 CarbonylContact O-C 3.13Å; S310-Q313 WeakPolarHBondContact O-CA 3.34Å; S310-Q313 WeakPolarHBondContact O-CB 3.39Å; S310-Q313 PolarHBondContact O-N 2.98Å; S310-Q313 WeakPolarHBondContact OG-CG 3.37Å; S310-Q313 PolarHBondContact OG-N 3.41Å; I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 2.91Å; Q313-Y317 VanDerWaalsContact O-CD2 3.25Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.32Å; Q313-Y317 WeakPolarHBondContact O-CE2 3.47Å
314	Q	76.6	Confident	77.7	Confident	48 Å²	48	68.7 Å²	68.7	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-80.1	-31.4	176.7	-64.8	-174	28.1	0	0	112.5	L309 S310 I311 Y317 L318	L309-Q314 HydrophobicContact CB-CG 3.71Å; L309-Q314 PolarHBondContact O-NE2 3.37Å; S310-Q314 PolarHBondContact O-N 3.07Å; I311-Q314 PolarHBondContact O-N 3.39Å; Q314-Y317 WeakPolarHBondContact O-CB 3.32Å; Q314-Y317 PolarHBondContact O-N 3.1Å; Q314-L318 PolarHBondContact O-N 3.28Å
315	L	83.9	Confident	78.3	Confident	24 Å²	24	68.2 Å²	68.2	13%	0.126	35%	0.353	C	S	.	.	H	α-helix	trans	-53.1	-42.1	-173.6	-174	64.5	0	0	0	114.7	H95 L97 T112 I311 Y317 L318 W319	H95-L315 HydrophobicContact CB-CD2 4.33Å; L97-L315 HydrophobicContact CB-CD1 4.16Å; T112-L315 HydrophobicContact CG2-CD2 3.65Å; I311-L315 PolarHBondContact O-N 3.42Å; L315-Y317 PolarHBondContact O-N 3.48Å; L315-L318 PolarHBondContact O-N 2.96Å; L315-W319 WeakPolarHBondContact O-CB 3.39Å; L315-W319 PolarHBondContact O-N 2.82Å
316	P	86.6	Confident	79.1	Confident	73 Å²	73	71.1 Å²	71.1	47%	0.474	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.3	-23.1	35.1	0	0	0	113.9	V312 N320	V312-P316 WeakPolarHBondContact O-CD 3.25Å; P316-N320 WeakPolarHBondContact O-CB 3.45Å; P316-N320 VanDerWaalsContact O-CG 3.25Å; P316-N320 PolarHBondContact O-N 2.93Å
317	Y	84.9	Confident	80.2	Confident	126 Å²	126	60.6 Å²	60.6	49%	0.494	33%	0.328	S	S	.	.	H	α-helix	trans	-69.9	-41.7	176.9	-62.7	-86.6	0	0	0	110.9	P305 L309 Q313 Q314 L315 N320 H321	P305-Y317 HydrophobicContact CB-CE1 4.47Å; P305-Y317 HydrophobicContact CG-CD1 3.57Å; P305-Y317 HydrophobicContact CG-CD2 3.59Å; P305-Y317 HydrophobicContact CG-CE1 3.91Å; P305-Y317 HydrophobicContact CG-CE2 3.93Å; P305-Y317 HydrophobicContact CG-CG 3.39Å; L309-Y317 HydrophobicContact CD1-CE2 4.18Å; Q313-Y317 VanDerWaalsContact O-CD2 3.25Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.32Å; Q313-Y317 WeakPolarHBondContact O-CE2 3.47Å; Q314-Y317 WeakPolarHBondContact O-CB 3.32Å; Q314-Y317 PolarHBondContact O-N 3.1Å; L315-Y317 PolarHBondContact O-N 3.48Å; Y317-N320 PolarHBondContact O-N 2.91Å; Y317-H321 PolarHBondContact O-N 3.18Å; Y317-H321 VanDerWaalsContact O-N 3.09Å
318	L	86.1	Confident	81.5	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-44.2	175.1	-175.4	61.3	0	0	0	111.2	L97 L299 Y302 Q314 L315 N320 H321 V322	L97-L318 HydrophobicContact CB-CD2 4.1Å; L97-L318 HydrophobicContact CD2-CD2 3.8Å; L97-L318 HydrophobicContact CD2-CG 4.03Å; L299-L318 HydrophobicContact CD2-CD1 3.74Å; L299-L318 HydrophobicContact CD2-CG 4.47Å; Y302-L318 HydrophobicContact CD1-CD1 3.76Å; Y302-L318 HydrophobicContact CD2-CD1 3.87Å; Y302-L318 HydrophobicContact CE1-CD1 3.84Å; Y302-L318 HydrophobicContact CE2-CB 4.16Å; Y302-L318 HydrophobicContact CE2-CD1 3.95Å; Y302-L318 HydrophobicContact CG-CD1 3.76Å; Q314-L318 PolarHBondContact O-N 3.28Å; L315-L318 PolarHBondContact O-N 2.96Å; L318-N320 PolarHBondContact O-N 3.23Å; L318-H321 WeakPolarHBondContact O-CB 3.44Å; L318-H321 PolarHBondContact O-N 3.46Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 2.87Å
319	W	89.5	Confident	82.6	Confident	42 Å²	42	56.1 Å²	56.1	16%	0.159	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-47.4	175.6	-178.1	-89.6	0	0	0	111.9	L97 S111 I114 L315 H321 V322 T323	L97-W319 HydrophobicContact CD1-CE3 4.09Å; L97-W319 HydrophobicContact CD1-CZ3 4.41Å; S111-W319 VanDerWaalsContact O-CH2 3.26Å; S111-W319 WeakPolarHBondContact O-CH2 3.11Å; S111-W319 WeakPolarHBondContact O-CZ3 3.23Å; I114-W319 HydrophobicContact CG1-CE3 4.48Å; I114-W319 HydrophobicContact CG1-CH2 4.45Å; I114-W319 HydrophobicContact CG1-CZ3 3.91Å; L315-W319 WeakPolarHBondContact O-CB 3.39Å; L315-W319 PolarHBondContact O-N 2.82Å; W319-H321 PolarHBondContact O-N 2.92Å; W319-V322 VanDerWaalsContact O-CG2 3.3Å; W319-V322 WeakPolarHBondContact O-CG2 3.03Å; W319-V322 PolarHBondContact O-N 2.96Å; W319-T323 HydrophobicContact CD2-CG2 3.97Å; W319-T323 HydrophobicContact CG-CG2 4.31Å; W319-T323 HydrophobicContact CH2-CG2 4.48Å; W319-T323 HydrophobicContact CZ2-CG2 3.88Å; W319-T323 WeakPolarHBondContact O-CB 3.29Å; W319-T323 WeakPolarHBondContact O-CG2 3.46Å; W319-T323 PolarHBondContact O-N 3.45Å; W319-T323 PolarHBondContact O-OG1 3.41Å
320	N	87.4	Confident	83.7	Confident	113 Å²	113	56.3 Å²	56.3	60%	0.604	29%	0.287	S	S	*	.	H	α-helix	trans	-68	-22.8	178.6	-70.8	-9.3	0	0	0	113.5	P316 Y317 L318	P316-N320 WeakPolarHBondContact O-CB 3.45Å; P316-N320 VanDerWaalsContact O-CG 3.25Å; P316-N320 PolarHBondContact O-N 2.93Å; Y317-N320 PolarHBondContact O-N 2.91Å; L318-N320 PolarHBondContact O-N 3.23Å
321	H	87.5	Confident	84.6	Confident	56 Å²	56	53.9 Å²	53.9	26%	0.259	27%	0.271	S	S	.	.	H	α-helix	trans	-74.6	-32.8	175.5	-179.9	88.7	0	0	0	112.4	L298 N300 Y302 Y317 L318 W319 T325	L298-H321 PolarHBondContact O-CD2 2.84Å; L298-H321 PolarHBondContact O-NE2 3.39Å; N300-H321 PolarHBondContact O-CE1 3.49Å; N300-H321 PolarHBondContact O-NE2 2.85Å; Y302-H321 HydrophobicContact CD2-CB 3.71Å; Y302-H321 AromaticContact CD2-CG 3.66Å; Y302-H321 AromaticContact CD2-ND1 3.95Å; Y302-H321 HydrophobicContact CE2-CB 4.26Å; Y317-H321 PolarHBondContact O-N 3.18Å; Y317-H321 VanDerWaalsContact O-N 3.09Å; L318-H321 WeakPolarHBondContact O-CB 3.44Å; L318-H321 PolarHBondContact O-N 3.46Å; L318-H321 VanDerWaalsContact O-N 3.16Å; W319-H321 PolarHBondContact O-N 2.92Å; H321-T325 PolarHBondContact O-OG1 3.39Å
322	V	88.8	Confident	85.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-100.8	-16.4	-174.5	-61.2	0	0	0	0	113.9	I114 L298 L299 L318 W319 I336	I114-V322 HydrophobicContact CD1-CB 3.94Å; I114-V322 HydrophobicContact CD1-CG2 3.17Å; L298-V322 HydrophobicContact CB-CB 4.42Å; L298-V322 HydrophobicContact CB-CG1 4.2Å; L299-V322 HydrophobicContact CD2-CG1 3.75Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 2.87Å; W319-V322 VanDerWaalsContact O-CG2 3.3Å; W319-V322 WeakPolarHBondContact O-CG2 3.03Å; W319-V322 PolarHBondContact O-N 2.96Å; V322-I336 VanDerWaalsContact O-CB 3.29Å; V322-I336 WeakPolarHBondContact O-CB 3.19Å; V322-I336 WeakPolarHBondContact O-CG1 3.26Å
323	T	89.9	Confident	86.3	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	-103.5	153.6	176.9	58.9	0	0	0	0	111	W319 T325 I336 G337	W319-T323 HydrophobicContact CD2-CG2 3.97Å; W319-T323 HydrophobicContact CG-CG2 4.31Å; W319-T323 HydrophobicContact CH2-CG2 4.48Å; W319-T323 HydrophobicContact CZ2-CG2 3.88Å; W319-T323 WeakPolarHBondContact O-CB 3.29Å; W319-T323 WeakPolarHBondContact O-CG2 3.46Å; W319-T323 PolarHBondContact O-N 3.45Å; W319-T323 PolarHBondContact O-OG1 3.41Å; T323-T325 PolarHBondContact O-N 3.46Å; T323-I336 HydrophobicContact CG2-CG2 3.95Å; T323-G337 WeakPolarHBondContact CB-O 3.44Å; T323-G337 WeakPolarHBondContact CG2-O 3.28Å
324	N	86.8	Confident	86.9	Confident	25 Å²	25	44.3 Å²	44.3	13%	0.134	22%	0.223	C	C	.	.	S	Bend	trans	59	23.8	-175.9	-149.5	36.3	0	0	0	114.6	I336 N338 E366 S367	N324-I336 WeakPolarHBondContact CA-O 3.21Å; N324-I336 PolarHBondContact N-O 3.45Å; N324-N338 WeakPolarHBondContact CB-OD1 3.43Å; N324-N338 VanDerWaalsContact CG-OD1 3.26Å; N324-N338 PolarHBondContact OD1-OD1 3.46Å; N324-E366 VanDerWaalsContact OD1-CA 3.25Å; N324-E366 WeakPolarHBondContact OD1-CA 3.33Å; N324-S367 PolarHBondContact ND2-OG 2.94Å; N324-S367 PolarHBondContact OD1-N 3.04Å; N324-S367 PolarHBondContact OD1-OG 3.4Å
325	T	81.3	Confident	87.7	Confident	42 Å²	42	42.1 Å²	42.1	26%	0.258	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.5	-177.4	55.3	0	0	0	0	111.1	H321 T323	H321-T325 PolarHBondContact O-OG1 3.39Å; T323-T325 PolarHBondContact O-N 3.46Å
326	E	87.4	Confident	88	Confident	97 Å²	97	41 Å²	41	45%	0.453	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.7	170	-169.6	173.1	177.3	0	0	110.4	V334 F335 Y345	E326-V334 CarbonylContact C-O 3.6Å; E326-V334 WeakPolarHBondContact CA-O 3.45Å; E326-F335 HydrophobicContact CB-CD2 3.99Å; E326-Y345 VanDerWaalsContact CD-OH 3.27Å; E326-Y345 WeakPolarHBondContact CG-OH 3.42Å; E326-Y345 PolarHBondContact OE1-OH 2.93Å
327	T	87.6	Confident	88	Confident	38 Å²	38	37.5 Å²	37.5	23%	0.233	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.3	173.6	62.1	0	0	0	0	110.9	L298 G329 V334	L298-T327 HydrophobicContact CD2-CG2 4.08Å; L298-T327 WeakPolarHBondContact CD2-OG1 3.3Å; T327-G329 PolarHBondContact O-N 3.46Å; T327-V334 PolarHBondContact N-O 3.13Å; T327-V334 PolarHBondContact O-N 3.28Å
328	Q	89.2	Confident	88.1	Confident	127 Å²	127	33.5 Å²	33.5	59%	0.593	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86	112.4	172.9	-171.7	69.6	-7.9	0	0	109.9
329	G	88	Confident	88.1	Confident	9 Å²	9	35.1 Å²	35.1	9%	0.093	18%	0.18	C	C	.	.			trans	-93.4	172.5	175.4	0	0	0	0	0	113.8	D294 T327 G332	D294-G329 VanDerWaalsContact OD1-C 3.27Å; D294-G329 WeakPolarHBondContact OD1-CA 3.28Å; T327-G329 PolarHBondContact O-N 3.46Å; G329-G332 CarbonylContact C-O 3.55Å; G329-G332 VanDerWaalsContact CA-O 3.23Å; G329-G332 WeakPolarHBondContact CA-O 3.34Å; G329-G332 PolarHBondContact N-O 2.84Å
330	Y	89.4	Confident	88.1	Confident	50 Å²	50	33.1 Å²	33.1	20%	0.196	17%	0.173	C	C	.	.	S	Bend	trans	-67.8	-35.7	170	-65.4	-89.1	0	0	0	112.2	C36 F274 C293 D294	C36-Y330 HydrophobicContact CB-CE2 4.1Å; C36-Y330 PolarHBondContact O-OH 3.16Å; F274-Y330 AromaticContact CD2-CD1 3.95Å; F274-Y330 HydrophobicContact CD2-CD1 3.95Å; F274-Y330 AromaticContact CE2-CD1 3.67Å; F274-Y330 HydrophobicContact CE2-CD1 3.67Å; F274-Y330 AromaticContact CE2-CE1 3.97Å; F274-Y330 HydrophobicContact CE2-CE1 3.97Å; C293-Y330 HydrophobicContact CB-CD2 3.51Å; C293-Y330 HydrophobicContact CB-CE2 3.95Å; C293-Y330 HydrophobicContact CB-CG 4.06Å; D294-Y330 WeakPolarHBondContact OD1-CA 3.49Å; D294-Y330 PolarHBondContact OD1-N 2.96Å
331	S	88.2	Confident	88.2	Confident	7 Å²	7	28.1 Å²	28.1	5%	0.049	15%	0.146	C	C	.	.	S	Bend	trans	-88.2	-7	178.8	80.3	0	0	0	0	114.5	D294 R342	D294-S331 PolarHBondContact OD1-N 2.86Å; D294-S331 VanDerWaalsContact OD1-N 3.09Å; D294-S331 VanDerWaalsContact OD2-CB 3.28Å; D294-S331 WeakPolarHBondContact OD2-CB 3.48Å; D294-S331 PolarHBondContact OD2-OG 3.21Å; S331-R342 PolarHBondContact OG-NH1 2.93Å; S331-R342 PolarHBondContact OG-NH2 2.95Å
332	G	87.1	Confident	88.3	Confident	3 Å²	3	25.5 Å²	25.5	3%	0.031	13%	0.134	C	C	.	.	S	Bend	trans	151.4	178.3	-167.5	0	0	0	0	0	112.3	K270 G329	K270-G332 VanDerWaalsContact NZ-CA 3.29Å; G329-G332 CarbonylContact C-O 3.55Å; G329-G332 VanDerWaalsContact CA-O 3.23Å; G329-G332 WeakPolarHBondContact CA-O 3.34Å; G329-G332 PolarHBondContact N-O 2.84Å
333	P	89.1	Confident	88.3	Confident	29 Å²	29	25.9 Å²	25.9	19%	0.188	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	145.2	158.5	28.8	-34.5	0	0	0	109.9	H265 R342 Y345	H265-P333 PolarHBondContact CE1-O 3.01Å; P333-R342 PolarHBondContact O-NH2 3.46Å; P333-Y345 HydrophobicContact CB-CD1 4.33Å; P333-Y345 HydrophobicContact CB-CD2 4.11Å; P333-Y345 HydrophobicContact CB-CE1 3.96Å; P333-Y345 HydrophobicContact CB-CE2 3.76Å; P333-Y345 HydrophobicContact CB-CG 4.4Å; P333-Y345 HydrophobicContact CG-CD1 3.89Å; P333-Y345 HydrophobicContact CG-CD2 3.69Å; P333-Y345 HydrophobicContact CG-CE1 4.06Å; P333-Y345 HydrophobicContact CG-CE2 3.89Å; P333-Y345 HydrophobicContact CG-CG 3.71Å
334	V	90.6	Very high	88.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.1	-176.5	-176.2	0	0	0	0	107.3	D294 L298 E326 T327 I336 R342	D294-V334 HydrophobicContact CB-CG2 3.78Å; L298-V334 HydrophobicContact CD1-CG1 4.1Å; L298-V334 HydrophobicContact CD2-CG1 4.05Å; L298-V334 HydrophobicContact CG-CG1 4.25Å; E326-V334 CarbonylContact C-O 3.6Å; E326-V334 WeakPolarHBondContact CA-O 3.45Å; T327-V334 PolarHBondContact N-O 3.13Å; T327-V334 PolarHBondContact O-N 3.28Å; V334-I336 HydrophobicContact CG1-CD1 3.95Å; V334-I336 HydrophobicContact CG1-CG1 4.34Å; V334-R342 HydrophobicContact CG1-CG 4.46Å
335	F	91.6	Very high	88.4	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.1	170.1	-171.8	-80.6	0	0	0	107.9	E326 R342 L343 Y345 P364 E366	E326-F335 HydrophobicContact CB-CD2 3.99Å; F335-R342 CarbonylContact O-C 3.5Å; F335-R342 WeakPolarHBondContact O-CA 3.01Å; F335-L343 HydrophobicContact CD1-CB 4.32Å; F335-L343 HydrophobicContact CD1-CD1 3.8Å; F335-L343 HydrophobicContact CD1-CG 4.34Å; F335-L343 HydrophobicContact CE1-CD1 3.94Å; F335-L343 PolarHBondContact O-N 3.34Å; F335-Y345 HydrophobicContact CB-CE2 4.07Å; F335-P364 HydrophobicContact CB-CB 4Å; F335-P364 HydrophobicContact CB-CG 4.04Å; F335-P364 HydrophobicContact CD1-CB 3.53Å; F335-P364 HydrophobicContact CD1-CG 4.32Å; F335-P364 HydrophobicContact CD2-CB 4.25Å; F335-P364 HydrophobicContact CE1-CB 4.04Å; F335-P364 HydrophobicContact CG-CB 3.65Å; F335-P364 HydrophobicContact CG-CG 4.26Å; F335-E366 HydrophobicContact CE2-CG 3.94Å; F335-E366 HydrophobicContact CZ-CG 4.3Å
336	I	90.6	Very high	88.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.4	174.5	-52.5	-54.9	0	0	0	107.4	I114 L116 L298 V322 T323 N324 V334 R342	I114-I336 HydrophobicContact CG2-CD1 4.05Å; I114-I336 HydrophobicContact CG2-CG1 4.25Å; I114-I336 HydrophobicContact CG2-CG2 3.88Å; L116-I336 HydrophobicContact CD2-CD1 4.38Å; L298-I336 HydrophobicContact CD1-CD1 3.89Å; L298-I336 HydrophobicContact CD1-CG1 3.49Å; L298-I336 VanDerWaalsContact CD1-CG1 3.49Å; L298-I336 HydrophobicContact CD2-CG1 4.1Å; L298-I336 HydrophobicContact CG-CG1 4.47Å; V322-I336 VanDerWaalsContact O-CB 3.29Å; V322-I336 WeakPolarHBondContact O-CB 3.19Å; V322-I336 WeakPolarHBondContact O-CG1 3.26Å; T323-I336 HydrophobicContact CG2-CG2 3.95Å; N324-I336 WeakPolarHBondContact CA-O 3.21Å; N324-I336 PolarHBondContact N-O 3.45Å; V334-I336 HydrophobicContact CG1-CD1 3.95Å; V334-I336 HydrophobicContact CG1-CG1 4.34Å; I336-R342 HydrophobicContact CD1-CB 3.61Å; I336-R342 HydrophobicContact CD1-CG 3.99Å
337	G	87.8	Confident	89.1	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.			trans	-63.4	169.1	175.8	0	0	0	0	0	113	T323 D339 G340 V341 N377	T323-G337 WeakPolarHBondContact CB-O 3.44Å; T323-G337 WeakPolarHBondContact CG2-O 3.28Å; G337-D339 WeakPolarHBondContact CA-OD1 3.42Å; G337-D339 PolarHBondContact O-N 3.16Å; G337-G340 PolarHBondContact O-N 2.96Å; G337-V341 PolarHBondContact N-O 2.71Å; G337-N377 WeakPolarHBondContact CA-OD1 3.26Å
338	N	87.4	Confident	89.4	Confident	43 Å²	43	19.1 Å²	19.1	23%	0.23	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.5	174.4	-77.3	-0.7	0	0	0	112.2	N324 G340 S367 M374 N377	N324-N338 WeakPolarHBondContact CB-OD1 3.43Å; N324-N338 VanDerWaalsContact CG-OD1 3.26Å; N324-N338 PolarHBondContact OD1-OD1 3.46Å; N338-G340 PolarHBondContact O-N 3.27Å; N338-S367 WeakPolarHBondContact ND2-CB 3.31Å; N338-S367 PolarHBondContact ND2-OG 3.46Å; N338-S367 PolarHBondContact OD1-OG 3.05Å; N338-M374 PolarHBondContact ND2-O 3.32Å; N338-N377 PolarHBondContact N-OD1 3.26Å
339	D	85.6	Confident	89.5	Confident	50 Å²	50	13.8 Å²	13.8	27%	0.267	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.6	175.7	66	-13.6	0	0	0	113.3	T106 K109 G337 V341 N377	T106-D339 HydrophobicContact CG2-CB 3.66Å; T106-D339 WeakPolarHBondContact CG2-OD2 3.22Å; K109-D339 WeakPolarHBondContact CE-O 3.37Å; K109-D339 PolarHBondContact NZ-O 3.48Å; G337-D339 WeakPolarHBondContact CA-OD1 3.42Å; G337-D339 PolarHBondContact O-N 3.16Å; D339-V341 PolarHBondContact OD1-N 2.66Å; D339-N377 PolarHBondContact OD1-ND2 2.74Å; D339-N377 PolarHBondContact OD2-ND2 2.93Å; D339-N377 VanDerWaalsContact OD2-ND2 3.08Å
340	G	88.5	Confident	89.8	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	76.5	18.5	-177.6	0	0	0	0	0	114	I114 A115 G337 N338	I114-G340 CarbonylContact C-O 3.53Å; I114-G340 WeakPolarHBondContact CA-O 3.36Å; A115-G340 PolarHBondContact N-O 2.95Å; G337-G340 PolarHBondContact O-N 2.96Å; N338-G340 PolarHBondContact O-N 3.27Å
341	V	89	Confident	89.8	Confident	7 Å²	7	12.6 Å²	12.6	4%	0.042	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-105.3	136	174.6	-179.3	0	0	0	0	109.2	T106 K109 A115 H119 G337 D339 L343	T106-V341 HydrophobicContact CG2-CG2 3.74Å; K109-V341 HydrophobicContact CD-CG2 4.12Å; K109-V341 VanDerWaalsContact CE-CG2 3.46Å; A115-V341 HydrophobicContact CB-CG1 4.48Å; A115-V341 HydrophobicContact CB-CG2 4.48Å; H119-V341 HydrophobicContact CB-CG1 3.89Å; G337-V341 PolarHBondContact N-O 2.71Å; D339-V341 PolarHBondContact OD1-N 2.66Å; V341-L343 PolarHBondContact O-N 3.07Å
342	R	89.9	Confident	89.7	Confident	1 Å²	1	16.4 Å²	16.4	0%	0.004	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-68	125.4	172.3	-174	178.1	175	177.8	0.7	110.3	A115 L116 P118 H265 D294 S331 P333 V334 F335 I336	A115-R342 WeakPolarHBondContact O-CB 3.47Å; A115-R342 PolarHBondContact O-N 3.41Å; L116-R342 WeakPolarHBondContact O-CD 3.3Å; L116-R342 PolarHBondContact O-NH1 3.16Å; P118-R342 WeakPolarHBondContact CA-O 3.4Å; P118-R342 HydrophobicContact CG-CG 4.11Å; H265-R342 PolarHBondContact CE1-NH2 3.44Å; D294-R342 IonicContact OD2-CZ 3.64Å; D294-R342 IonicContact OD2-NH1 2.69Å; D294-R342 PolarHBondContact OD2-NH1 2.99Å; D294-R342 IonicContact OD2-NH2 3.78Å; S331-R342 PolarHBondContact OG-NH1 2.93Å; S331-R342 PolarHBondContact OG-NH2 2.95Å; P333-R342 PolarHBondContact O-NH2 3.46Å; V334-R342 HydrophobicContact CG1-CG 4.46Å; F335-R342 CarbonylContact O-C 3.5Å; F335-R342 WeakPolarHBondContact O-CA 3.01Å; I336-R342 HydrophobicContact CD1-CB 3.61Å; I336-R342 HydrophobicContact CD1-CG 3.99Å
343	L	89	Confident	89.5	Confident	8 Å²	8	22.4 Å²	22.4	4%	0.042	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-90.7	126.9	178.3	-62.4	177.8	0	0	0	109.9	F335 V341 P364 N377	F335-L343 HydrophobicContact CD1-CB 4.32Å; F335-L343 HydrophobicContact CD1-CD1 3.8Å; F335-L343 HydrophobicContact CD1-CG 4.34Å; F335-L343 HydrophobicContact CE1-CD1 3.94Å; F335-L343 PolarHBondContact O-N 3.34Å; V341-L343 PolarHBondContact O-N 3.07Å; L343-P364 HydrophobicContact CB-CB 3.84Å; L343-P364 HydrophobicContact CB-CG 3.41Å; L343-P364 VanDerWaalsContact CB-CG 3.41Å; L343-P364 HydrophobicContact CD1-CB 3.85Å; L343-P364 HydrophobicContact CD1-CG 4.37Å; L343-N377 HydrophobicContact CD1-CB 3.67Å; L343-N377 HydrophobicContact CD2-CB 4.38Å
344	P	88.7	Confident	89.2	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-70.5	149.3	178.4	25.3	-34.6	0	0	0	113.5	P118 N263 Y346 Y379	P118-P344 HydrophobicContact CB-CB 3.83Å; P118-P344 HydrophobicContact CB-CG 4.32Å; N263-P344 WeakPolarHBondContact ND2-CB 3.39Å; P344-Y346 HydrophobicContact CB-CD2 4.39Å; P344-Y346 HydrophobicContact CB-CE2 3.74Å; P344-Y346 HydrophobicContact CG-CE2 3.67Å; P344-Y379 WeakPolarHBondContact CD-OH 3.47Å; P344-Y379 WeakPolarHBondContact CG-OH 3.39Å; P344-Y379 WeakPolarHBondContact O-CE1 3.49Å; P344-Y379 PolarHBondContact O-OH 3.41Å
345	Y	90.6	Very high	89.1	Confident	20 Å²	20	30.5 Å²	30.5	8%	0.078	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-93.1	146.1	169.2	-72.3	-112.3	0	0	0	110.1	N263 S264 H265 E326 P333 F335 K363 P364	N263-Y345 PolarHBondContact OD1-O 3.02Å; S264-Y345 PolarHBondContact N-O 3.36Å; S264-Y345 PolarHBondContact OG-O 2.88Å; H265-Y345 PolarHBondContact CD2-N 3.37Å; H265-Y345 AromaticContact NE2-CD2 3.47Å; H265-Y345 WeakPolarHBondContact NE2-CD2 3.33Å; H265-Y345 PolarHBondContact NE2-N 3.22Å; E326-Y345 VanDerWaalsContact CD-OH 3.27Å; E326-Y345 WeakPolarHBondContact CG-OH 3.42Å; E326-Y345 PolarHBondContact OE1-OH 2.93Å; P333-Y345 HydrophobicContact CB-CD1 4.33Å; P333-Y345 HydrophobicContact CB-CD2 4.11Å; P333-Y345 HydrophobicContact CB-CE1 3.96Å; P333-Y345 HydrophobicContact CB-CE2 3.76Å; P333-Y345 HydrophobicContact CB-CG 4.4Å; P333-Y345 HydrophobicContact CG-CD1 3.89Å; P333-Y345 HydrophobicContact CG-CD2 3.69Å; P333-Y345 HydrophobicContact CG-CE1 4.06Å; P333-Y345 HydrophobicContact CG-CE2 3.89Å; P333-Y345 HydrophobicContact CG-CG 3.71Å; F335-Y345 HydrophobicContact CB-CE2 4.07Å; Y345-K363 HydrophobicContact CD1-CB 3.64Å; Y345-K363 HydrophobicContact CE1-CB 3.6Å; Y345-P364 HydrophobicContact CD2-CG 4.41Å; Y345-P364 HydrophobicContact CE2-CG 4.11Å
346	Y	91.7	Very high	89	Confident	6 Å²	6	32.2 Å²	32.2	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.4	176.5	-73.5	-108.2	0	0	0	111.8	S120 T124 V127 L261 K262 N263 P344 V362	S120-Y346 PolarHBondContact O-OH 3.11Å; T124-Y346 PolarHBondContact OG1-OH 3.28Å; V127-Y346 HydrophobicContact CB-CD2 4.23Å; V127-Y346 HydrophobicContact CB-CE2 4.45Å; V127-Y346 HydrophobicContact CB-CG 4.48Å; V127-Y346 HydrophobicContact CG1-CD1 4.26Å; V127-Y346 HydrophobicContact CG1-CD2 4.14Å; V127-Y346 HydrophobicContact CG1-CG 3.91Å; V127-Y346 HydrophobicContact CG2-CD2 3.47Å; V127-Y346 VanDerWaalsContact CG2-CD2 3.47Å; V127-Y346 HydrophobicContact CG2-CE2 3.8Å; V127-Y346 HydrophobicContact CG2-CG 4.1Å; L261-Y346 HydrophobicContact CD1-CD1 4.11Å; L261-Y346 HydrophobicContact CD1-CG 4.44Å; L261-Y346 HydrophobicContact CD2-CD1 4.39Å; L261-Y346 HydrophobicContact CG-CD1 3.9Å; K262-Y346 VanDerWaalsContact O-CA 3.28Å; K262-Y346 WeakPolarHBondContact O-CA 3.32Å; K262-Y346 WeakPolarHBondContact O-CD1 3.31Å; N263-Y346 HydrophobicContact CB-CD1 4.22Å; N263-Y346 HydrophobicContact CB-CE1 3.79Å; N263-Y346 HydrophobicContact CB-CE2 4.48Å; N263-Y346 PolarHBondContact ND2-OH 2.87Å; P344-Y346 HydrophobicContact CB-CD2 4.39Å; P344-Y346 HydrophobicContact CB-CE2 3.74Å; P344-Y346 HydrophobicContact CG-CE2 3.67Å; Y346-V362 PolarHBondContact N-O 3.17Å; Y346-V362 PolarHBondContact O-N 2.83Å
347	E	91.6	Very high	89	Confident	37 Å²	37	34.4 Å²	34.4	17%	0.173	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.8	173.9	57.6	-177	-171.6	0	0	109.7	I228 K262 H349	I228-E347 WeakPolarHBondContact CD1-OE1 3.37Å; K262-E347 HydrophobicContact CB-CG 4.21Å; K262-E347 PolarHBondContact N-O 3.47Å; K262-E347 PolarHBondContact O-N 3.4Å; E347-H349 VanDerWaalsContact CD-CE1 3.41Å; E347-H349 IonicContact OE1-CE1 3.27Å; E347-H349 IonicContact OE2-CE1 3.11Å
348	M	93.3	Very high	89.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.2	177.3	-172.4	175.2	-78.2	0	0	110	M131 V219 A259 L260 L261 V359 A360 F381 L388	M131-M348 HydrophobicContact CG-CE 4.35Å; M131-M348 HydrophobicContact SD-CE 3.42Å; M131-M348 WeakPolarHBondContact SD-CE 3.47Å; V219-M348 HydrophobicContact CG1-CE 3.83Å; A259-M348 HydrophobicContact CB-CE 4.41Å; A259-M348 HydrophobicContact CB-CG 3.94Å; A259-M348 HydrophobicContact CB-SD 3.74Å; L260-M348 CarbonylContact O-C 3.54Å; L260-M348 VanDerWaalsContact O-CA 3.26Å; L260-M348 WeakPolarHBondContact O-CA 3.39Å; L261-M348 HydrophobicContact CB-CE 4.39Å; L261-M348 HydrophobicContact CD1-CB 4.42Å; L261-M348 HydrophobicContact CD1-CE 4.03Å; M348-V359 HydrophobicContact CB-CG2 3.95Å; M348-V359 HydrophobicContact CG-CG2 3.6Å; M348-V359 WeakPolarHBondContact O-CG2 3.22Å; M348-V359 PolarHBondContact O-N 2.82Å; M348-V359 HydrophobicContact SD-CG2 4.1Å; M348-A360 HydrophobicContact CB-CB 4.02Å; M348-A360 PolarHBondContact N-O 3.12Å; M348-A360 PolarHBondContact O-N 3.38Å; M348-F381 HydrophobicContact CE-CE2 4.19Å; M348-F381 HydrophobicContact CE-CZ 4.4Å; M348-F381 HydrophobicContact SD-CZ 4.31Å; M348-L388 HydrophobicContact SD-CD1 3.67Å
349	H	93	Very high	89.5	Confident	16 Å²	16	35 Å²	35	7%	0.074	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.4	179	-68.7	77.7	0	0	0	111	I228 Y232 A259 L260 E347 V357 H358	I228-H349 HydrophobicContact CG2-CB 4.05Å; Y232-H349 HydrophobicContact CE2-CB 4.26Å; Y232-H349 VanDerWaalsContact OH-C 3.28Å; Y232-H349 PolarHBondContact OH-O 3.29Å; A259-H349 CarbonylContact C-O 3.55Å; A259-H349 VanDerWaalsContact CA-O 3.28Å; A259-H349 WeakPolarHBondContact CA-O 3.26Å; L260-H349 HydrophobicContact CB-CB 4.49Å; L260-H349 PolarHBondContact N-O 3.09Å; L260-H349 PolarHBondContact O-N 2.91Å; E347-H349 VanDerWaalsContact CD-CE1 3.41Å; E347-H349 IonicContact OE1-CE1 3.27Å; E347-H349 IonicContact OE2-CE1 3.11Å; H349-V357 CarbonylContact C-O 3.59Å; H349-V357 VanDerWaalsContact CA-O 3.24Å; H349-V357 WeakPolarHBondContact CA-O 3.48Å; H349-H358 AromaticContact CE1-CD2 3.7Å; H349-H358 AromaticContact NE2-CD2 3.72Å
350	M	92.3	Very high	89.9	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158	171.1	-70.8	-177.6	76.5	0	0	110.5	Y232 A259 V357 V359 L387 L391	Y232-M350 WeakPolarHBondContact OH-CA 3.43Å; A259-M350 HydrophobicContact CB-CG 4.09Å; M350-V357 PolarHBondContact N-O 3Å; M350-V357 PolarHBondContact O-N 3.31Å; M350-V359 HydrophobicContact CB-CG1 3.9Å; M350-V359 HydrophobicContact CG-CG1 3.91Å; M350-V359 HydrophobicContact CG-CG2 3.86Å; M350-V359 HydrophobicContact SD-CG1 4.04Å; M350-V359 HydrophobicContact SD-CG2 4.2Å; M350-L387 HydrophobicContact SD-CB 4.5Å; M350-L391 HydrophobicContact CE-CD2 3.86Å; M350-L391 HydrophobicContact CE-CG 4.08Å; M350-L391 HydrophobicContact SD-CG 4.45Å
351	W	90	Very high	90.2	Very high	27 Å²	27	36 Å²	36	10%	0.102	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.6	-179.3	-166.3	-121.7	0	0	0	112.3	Y232 G354 K355 A356	Y232-W351 HydrophobicContact CD1-CB 3.56Å; Y232-W351 HydrophobicContact CD1-CD2 4.12Å; Y232-W351 HydrophobicContact CD1-CE3 4.1Å; Y232-W351 AromaticContact CD1-CG 3.95Å; Y232-W351 HydrophobicContact CD1-CG 3.95Å; Y232-W351 HydrophobicContact CD2-CD2 4.45Å; Y232-W351 AromaticContact CD2-CE3 3.63Å; Y232-W351 HydrophobicContact CD2-CE3 3.63Å; Y232-W351 HydrophobicContact CD2-CZ3 4.13Å; Y232-W351 HydrophobicContact CE1-CB 3.69Å; Y232-W351 HydrophobicContact CG-CB 4.06Å; Y232-W351 AromaticContact CG-CD2 3.8Å; Y232-W351 HydrophobicContact CG-CD2 3.8Å; Y232-W351 AromaticContact CG-CE3 3.36Å; Y232-W351 HydrophobicContact CG-CE3 3.36Å; Y232-W351 HydrophobicContact CG-CG 4.13Å; Y232-W351 AromaticContact CG-CZ3 3.97Å; Y232-W351 HydrophobicContact CG-CZ3 3.97Å; W351-G354 VanDerWaalsContact CH2-O 3.23Å; W351-G354 WeakPolarHBondContact CH2-O 3.31Å; W351-G354 VanDerWaalsContact CZ2-C 3.43Å; W351-K355 VanDerWaalsContact CE3-O 3.32Å; W351-A356 HydrophobicContact CE3-CB 4.3Å; W351-A356 HydrophobicContact CZ3-CB 4.29Å; W351-A356 VanDerWaalsContact CZ3-N 3.31Å
352	R	86.2	Confident	90.3	Very high	88 Å²	88	35.7 Å²	35.7	33%	0.332	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.8	175.7	-154.7	70.1	177.9	-151.1	-8	111.4	G354 K355 V357 L387 D390	R352-G354 PolarHBondContact O-N 3.13Å; R352-G354 VanDerWaalsContact O-N 3.09Å; R352-K355 PolarHBondContact N-O 3.14Å; R352-K355 PolarHBondContact O-N 2.88Å; R352-K355 VanDerWaalsContact O-O 3.05Å; R352-V357 HydrophobicContact CB-CG2 3.92Å; R352-L387 HydrophobicContact CB-CD1 4.43Å; R352-L387 HydrophobicContact CG-CD2 4.5Å; R352-D390 IonicContact CZ-OD2 2.8Å; R352-D390 IonicContact NH1-OD2 3.59Å; R352-D390 PolarHBondContact NH1-OD2 3.09Å; R352-D390 IonicContact NH2-OD2 3.51Å
353	D	83.1	Confident	90.4	Very high	128 Å²	128	38.7 Å²	38.7	68%	0.684	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	41	173.3	-54.7	-35.5	0	0	0	114.1
354	G	82.7	Confident	90.4	Very high	48 Å²	48	38.4 Å²	38.4	50%	0.495	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	13	177.9	0	0	0	0	0	114.9	W351 R352	W351-G354 VanDerWaalsContact CH2-O 3.23Å; W351-G354 WeakPolarHBondContact CH2-O 3.31Å; W351-G354 VanDerWaalsContact CZ2-C 3.43Å; R352-G354 PolarHBondContact O-N 3.13Å; R352-G354 VanDerWaalsContact O-N 3.09Å
355	K	88.5	Confident	90.2	Very high	152 Å²	152	42.5 Å²	42.5	66%	0.661	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.6	178.3	-63.1	-176.7	-179.1	-179.1	0	111.1	W351 R352	W351-K355 VanDerWaalsContact CE3-O 3.32Å; R352-K355 PolarHBondContact N-O 3.14Å; R352-K355 PolarHBondContact O-N 2.88Å; R352-K355 VanDerWaalsContact O-O 3.05Å
356	A	89.1	Confident	89.9	Confident	37 Å²	37	45 Å²	45	31%	0.306	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.8	167.6	0	0	0	0	0	108.5	I228 Y232 W351	I228-A356 HydrophobicContact CG2-CB 3.5Å; Y232-A356 HydrophobicContact CD2-CB 3.96Å; Y232-A356 HydrophobicContact CE2-CB 4.14Å; W351-A356 HydrophobicContact CE3-CB 4.3Å; W351-A356 HydrophobicContact CZ3-CB 4.29Å; W351-A356 VanDerWaalsContact CZ3-N 3.31Å
357	V	91.6	Very high	89.2	Confident	47 Å²	47	45 Å²	45	29%	0.285	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.4	178.8	-176.6	0	0	0	0	107.9	H349 M350 R352 L387	H349-V357 CarbonylContact C-O 3.59Å; H349-V357 VanDerWaalsContact CA-O 3.24Å; H349-V357 WeakPolarHBondContact CA-O 3.48Å; M350-V357 PolarHBondContact N-O 3Å; M350-V357 PolarHBondContact O-N 3.31Å; R352-V357 HydrophobicContact CB-CG2 3.92Å; V357-L387 HydrophobicContact CB-CD1 4.03Å; V357-L387 HydrophobicContact CG1-CD1 3.72Å; V357-L387 HydrophobicContact CG2-CD1 4.35Å
358	H	92.6	Very high	88.4	Confident	56 Å²	56	48 Å²	48	26%	0.259	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128	171.8	-178	-82.2	0	0	0	109.9	H349 A360 N361 S384	H349-H358 AromaticContact CE1-CD2 3.7Å; H349-H358 AromaticContact NE2-CD2 3.72Å; H358-A360 VanDerWaalsContact CE1-C 3.45Å; H358-A360 PolarHBondContact CE1-O 3.19Å; H358-A360 PolarHBondContact NE2-O 3.17Å; H358-N361 VanDerWaalsContact CE1-CG 3.42Å; H358-N361 PolarHBondContact CE1-ND2 2.83Å; H358-N361 PolarHBondContact CE1-OD1 2.82Å; H358-N361 PolarHBondContact NE2-OD1 3.4Å; H358-S384 PolarHBondContact CE1-OG 2.89Å; H358-S384 PolarHBondContact ND1-OG 3.35Å
359	V	93.6	Very high	87.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-20.8	-174.6	-61	0	0	0	0	114.9	M348 M350 S384 S385 L387 L388	M348-V359 HydrophobicContact CB-CG2 3.95Å; M348-V359 HydrophobicContact CG-CG2 3.6Å; M348-V359 WeakPolarHBondContact O-CG2 3.22Å; M348-V359 PolarHBondContact O-N 2.82Å; M348-V359 HydrophobicContact SD-CG2 4.1Å; M350-V359 HydrophobicContact CB-CG1 3.9Å; M350-V359 HydrophobicContact CG-CG1 3.91Å; M350-V359 HydrophobicContact CG-CG2 3.86Å; M350-V359 HydrophobicContact SD-CG1 4.04Å; M350-V359 HydrophobicContact SD-CG2 4.2Å; V359-S384 WeakPolarHBondContact CA-OG 3.32Å; V359-S384 PolarHBondContact O-N 3.48Å; V359-S384 PolarHBondContact O-OG 3.45Å; V359-S384 VanDerWaalsContact O-OG 3.13Å; V359-S385 PolarHBondContact O-N 2.98Å; V359-L387 HydrophobicContact CG1-CB 3.93Å; V359-L387 HydrophobicContact CG1-CD1 4.38Å; V359-L388 HydrophobicContact CG2-CD1 4.15Å
360	A	94.1	Very high	86.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	152.7	172.7	0	0	0	0	0	112.2	M348 H358 F381 L382 S384	M348-A360 HydrophobicContact CB-CB 4.02Å; M348-A360 PolarHBondContact N-O 3.12Å; M348-A360 PolarHBondContact O-N 3.38Å; H358-A360 VanDerWaalsContact CE1-C 3.45Å; H358-A360 PolarHBondContact CE1-O 3.19Å; H358-A360 PolarHBondContact NE2-O 3.17Å; A360-F381 HydrophobicContact CB-CE1 3.73Å; A360-F381 HydrophobicContact CB-CE2 4.04Å; A360-F381 HydrophobicContact CB-CZ 3.42Å; A360-F381 VanDerWaalsContact CB-CZ 3.42Å; A360-L382 CarbonylContact C-O 3.56Å; A360-L382 VanDerWaalsContact CA-O 3.26Å; A360-L382 WeakPolarHBondContact CA-O 3.29Å; A360-S384 PolarHBondContact N-OG 3.18Å
361	N	93	Very high	85.1	Confident	69 Å²	69	59 Å²	59	37%	0.369	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.4	164.1	-75.3	-42.8	0	0	0	109.2	H358 L382	H358-N361 VanDerWaalsContact CE1-CG 3.42Å; H358-N361 PolarHBondContact CE1-ND2 2.83Å; H358-N361 PolarHBondContact CE1-OD1 2.82Å; H358-N361 PolarHBondContact NE2-OD1 3.4Å; N361-L382 HydrophobicContact CB-CB 4.42Å; N361-L382 PolarHBondContact N-O 3.22Å; N361-L382 WeakPolarHBondContact O-CB 3.5Å; N361-L382 PolarHBondContact O-N 2.92Å
362	V	91.8	Very high	83.7	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111	170	-156.6	0	0	0	0	107.8	V127 A130 L261 Y346 Y379 E380 F381	V127-V362 HydrophobicContact CB-CG1 4.32Å; V127-V362 HydrophobicContact CG1-CB 3.99Å; V127-V362 HydrophobicContact CG1-CG1 3.95Å; V127-V362 HydrophobicContact CG1-CG2 4.05Å; V127-V362 HydrophobicContact CG2-CB 4.37Å; V127-V362 HydrophobicContact CG2-CG1 4.01Å; A130-V362 HydrophobicContact CB-CG1 4.34Å; L261-V362 HydrophobicContact CD1-CG2 4.43Å; Y346-V362 PolarHBondContact N-O 3.17Å; Y346-V362 PolarHBondContact O-N 2.83Å; V362-Y379 HydrophobicContact CG1-CD1 4.01Å; V362-Y379 HydrophobicContact CG1-CG 4.49Å; V362-E380 WeakPolarHBondContact CA-O 3.45Å; V362-F381 HydrophobicContact CB-CD2 4.34Å; V362-F381 HydrophobicContact CG1-CB 4.35Å; V362-F381 HydrophobicContact CG1-CD2 4.16Å; V362-F381 HydrophobicContact CG2-CD2 3.34Å; V362-F381 HydrophobicContact CG2-CE2 3.65Å; V362-F381 HydrophobicContact CG2-CG 4.32Å
363	K	91.2	Very high	82.2	Confident	65 Å²	65	63.5 Å²	63.5	28%	0.283	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.9	-174.5	65.7	176.7	-164.6	173.4	0	111.1	Y345 Y379 E380 L382	Y345-K363 HydrophobicContact CD1-CB 3.64Å; Y345-K363 HydrophobicContact CE1-CB 3.6Å; K363-Y379 VanDerWaalsContact C-CD1 3.47Å; K363-Y379 WeakPolarHBondContact O-CA 3.45Å; K363-Y379 WeakPolarHBondContact O-CD1 3.28Å; K363-E380 WeakPolarHBondContact CE-OE2 3.49Å; K363-E380 HydrophobicContact CG-CB 4.5Å; K363-E380 PolarHBondContact N-O 3.39Å; K363-E380 PolarHBondContact O-N 2.73Å; K363-L382 HydrophobicContact CD-CD1 3.98Å; K363-L382 HydrophobicContact CG-CD1 4.24Å
364	P	90.2	Very high	80.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.013	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	151.5	170.4	-20.4	33.3	0	0	0	111.3	F335 L343 Y345 Y379	F335-P364 HydrophobicContact CB-CB 4Å; F335-P364 HydrophobicContact CB-CG 4.04Å; F335-P364 HydrophobicContact CD1-CB 3.53Å; F335-P364 HydrophobicContact CD1-CG 4.32Å; F335-P364 HydrophobicContact CD2-CB 4.25Å; F335-P364 HydrophobicContact CE1-CB 4.04Å; F335-P364 HydrophobicContact CG-CB 3.65Å; F335-P364 HydrophobicContact CG-CG 4.26Å; L343-P364 HydrophobicContact CB-CB 3.84Å; L343-P364 HydrophobicContact CB-CG 3.41Å; L343-P364 VanDerWaalsContact CB-CG 3.41Å; L343-P364 HydrophobicContact CD1-CB 3.85Å; L343-P364 HydrophobicContact CD1-CG 4.37Å; Y345-P364 HydrophobicContact CD2-CG 4.41Å; Y345-P364 HydrophobicContact CE2-CG 4.11Å; P364-Y379 HydrophobicContact CB-CE1 4.46Å; P364-Y379 HydrophobicContact CG-CD1 4.42Å; P364-Y379 HydrophobicContact CG-CE1 3.77Å
365	R	84.7	Confident	79.8	Confident	86 Å²	86	66.2 Å²	66.2	33%	0.325	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.1	177.4	-169.2	174.3	-174.2	168.1	-3.8	110.4	S367 C378 E380	R365-S367 PolarHBondContact O-N 3.15Å; R365-C378 PolarHBondContact N-O 2.89Å; R365-E380 HydrophobicContact CB-CB 4.4Å; R365-E380 IonicContact CZ-OE1 3.75Å; R365-E380 IonicContact NH1-OE1 3.95Å; R365-E380 PolarHBondContact NH1-OE1 2.82Å; R365-E380 VanDerWaalsContact NH1-OE1 3.08Å
366	E	83.2	Confident	78.8	Confident	72 Å²	72	65.8 Å²	65.8	34%	0.336	37%	0.366	S	S	.	.			trans	-58.3	133.7	173.9	-58.3	174.1	-168.1	0	0	110.8	N324 F335 D368 Y369	N324-E366 VanDerWaalsContact OD1-CA 3.25Å; N324-E366 WeakPolarHBondContact OD1-CA 3.33Å; F335-E366 HydrophobicContact CE2-CG 3.94Å; F335-E366 HydrophobicContact CZ-CG 4.3Å; E366-D368 PolarHBondContact O-N 2.96Å; E366-Y369 HydrophobicContact CB-CD2 3.95Å; E366-Y369 HydrophobicContact CB-CE2 4.24Å; E366-Y369 PolarHBondContact O-N 3.36Å
367	S	76.8	Confident	78.2	Confident	7 Å²	7	65.1 Å²	65.1	5%	0.049	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-52.5	-31.3	-174.4	56.3	0	0	0	0	114.1	N324 N338 R365 Y369 C370	N324-S367 PolarHBondContact ND2-OG 2.94Å; N324-S367 PolarHBondContact OD1-N 3.04Å; N324-S367 PolarHBondContact OD1-OG 3.4Å; N338-S367 WeakPolarHBondContact ND2-CB 3.31Å; N338-S367 PolarHBondContact ND2-OG 3.46Å; N338-S367 PolarHBondContact OD1-OG 3.05Å; R365-S367 PolarHBondContact O-N 3.15Å; S367-Y369 PolarHBondContact O-N 3.39Å; S367-C370 WeakPolarHBondContact O-CB 3.2Å; S367-C370 PolarHBondContact O-N 2.94Å; S367-C370 VanDerWaalsContact O-N 3.08Å
368	D	75.3	Confident	77.8	Confident	100 Å²	100	64.2 Å²	64.2	54%	0.535	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.8	176.7	-68.9	-23.5	0	0	0	113.4	E366 M374	E366-D368 PolarHBondContact O-N 2.96Å; D368-M374 WeakPolarHBondContact OD1-CE 3.1Å
369	Y	76.6	Confident	77.6	Confident	142 Å²	142	62.5 Å²	62.5	56%	0.557	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-105.3	4.3	178.7	-54.4	-82.6	0	0	0	113.5	E366 S367 G371	E366-Y369 HydrophobicContact CB-CD2 3.95Å; E366-Y369 HydrophobicContact CB-CE2 4.24Å; E366-Y369 PolarHBondContact O-N 3.36Å; S367-Y369 PolarHBondContact O-N 3.39Å; Y369-G371 PolarHBondContact O-N 3.1Å
370	C	71.5	Confident	77.4	Confident	33 Å²	33	65 Å²	65	22%	0.223	36%	0.356	C	S	.	.	S	Bend	trans	-77.5	1.9	-176.4	-71.2	0	0	0	0	114.8	S367 C378	S367-C370 WeakPolarHBondContact O-CB 3.2Å; S367-C370 PolarHBondContact O-N 2.94Å; S367-C370 VanDerWaalsContact O-N 3.08Å; C370-C378 WeakPolarHBondContact CA-SG 3.44Å; C370-C378 HydrophobicContact CB-CB 3.63Å; C370-C378 WeakPolarHBondContact CB-SG 3.48Å; C370-C378 WeakPolarHBondContact SG-CB 3Å; C370-C378 CovalentContact SG-SG 2.01Å; C370-C378 PolarHBondContact SG-SG 2.84Å
371	G	61.9	Low	77.2	Confident	80 Å²	80	65.8 Å²	65.8	83%	0.825	36%	0.36	S	S	*	.	S	Bend	trans	53.7	67.8	172.1	0	0	0	0	0	113.3	Y369	Y369-G371 PolarHBondContact O-N 3.1Å
372	G	59.5	Low	77.2	Confident	61 Å²	61	65.4 Å²	65.4	63%	0.629	36%	0.357	S	S	*	.	S	Bend	trans	166.8	-167.1	-177.5	0	0	0	0	0	111.5	M374	G372-M374 PolarHBondContact O-N 2.88Å; G372-M374 VanDerWaalsContact O-N 3.11Å
373	N	55.4	Low	77.2	Confident	148 Å²	148	69 Å²	69	79%	0.791	38%	0.381	S	S	*	.			trans	-55.4	119.7	170	-87.1	-13	0	0	0	109	T375	N373-T375 PolarHBondContact O-N 3.15Å
374	M	56.8	Low	77.2	Confident	120 Å²	120	69.2 Å²	69.2	59%	0.591	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	10.3	-171.9	-60.3	171.6	81.7	0	0	115	N338 D368 G372	N338-M374 PolarHBondContact ND2-O 3.32Å; D368-M374 WeakPolarHBondContact OD1-CE 3.1Å; G372-M374 PolarHBondContact O-N 2.88Å; G372-M374 VanDerWaalsContact O-N 3.11Å
375	T	58.4	Low	77.1	Confident	112 Å²	112	70.3 Å²	70.3	69%	0.687	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-5.8	-172.3	59.6	0	0	0	0	113.6	N373	N373-T375 PolarHBondContact O-N 3.15Å
376	K	68.7	Low	77.2	Confident	144 Å²	144	70.7 Å²	70.7	63%	0.626	41%	0.412	S	S	*	.	S	Bend	trans	-108.6	138.8	-179	-68.4	-170.1	176.7	-172.6	0	111
377	N	76.3	Confident	77.4	Confident	22 Å²	22	68.9 Å²	68.9	12%	0.118	40%	0.404	C	S	.	.			trans	-63.4	148.5	166	-66.4	-25.5	0	0	0	109.3	G337 N338 D339 L343	G337-N377 WeakPolarHBondContact CA-OD1 3.26Å; N338-N377 PolarHBondContact N-OD1 3.26Å; D339-N377 PolarHBondContact OD1-ND2 2.74Å; D339-N377 PolarHBondContact OD2-ND2 2.93Å; D339-N377 VanDerWaalsContact OD2-ND2 3.08Å; L343-N377 HydrophobicContact CD1-CB 3.67Å; L343-N377 HydrophobicContact CD2-CB 4.38Å
378	C	81.4	Confident	77.9	Confident	29 Å²	29	69 Å²	69	20%	0.196	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	163.5	173	81.3	0	0	0	0	112	R365 C370	R365-C378 PolarHBondContact N-O 2.89Å; C370-C378 WeakPolarHBondContact CA-SG 3.44Å; C370-C378 HydrophobicContact CB-CB 3.63Å; C370-C378 WeakPolarHBondContact CB-SG 3.48Å; C370-C378 WeakPolarHBondContact SG-CB 3Å; C370-C378 CovalentContact SG-SG 2.01Å; C370-C378 PolarHBondContact SG-SG 2.84Å
379	Y	89.2	Confident	78.4	Confident	20 Å²	20	72.1 Å²	72.1	8%	0.078	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.7	-179.9	-84	-94	0	0	0	111.4	E126 V127 P344 V362 K363 P364	E126-Y379 HydrophobicContact CB-CD2 3.52Å; E126-Y379 HydrophobicContact CB-CE2 3.69Å; E126-Y379 VanDerWaalsContact OE2-CE2 3.24Å; E126-Y379 WeakPolarHBondContact OE2-CE2 3.23Å; V127-Y379 HydrophobicContact CG2-CD1 3.51Å; V127-Y379 HydrophobicContact CG2-CD2 4.34Å; V127-Y379 HydrophobicContact CG2-CE1 3.42Å; V127-Y379 VanDerWaalsContact CG2-CE1 3.42Å; V127-Y379 HydrophobicContact CG2-CE2 4.27Å; V127-Y379 HydrophobicContact CG2-CG 3.95Å; P344-Y379 WeakPolarHBondContact CD-OH 3.47Å; P344-Y379 WeakPolarHBondContact CG-OH 3.39Å; P344-Y379 WeakPolarHBondContact O-CE1 3.49Å; P344-Y379 PolarHBondContact O-OH 3.41Å; V362-Y379 HydrophobicContact CG1-CD1 4.01Å; V362-Y379 HydrophobicContact CG1-CG 4.49Å; K363-Y379 VanDerWaalsContact C-CD1 3.47Å; K363-Y379 WeakPolarHBondContact O-CA 3.45Å; K363-Y379 WeakPolarHBondContact O-CD1 3.28Å; P364-Y379 HydrophobicContact CB-CE1 4.46Å; P364-Y379 HydrophobicContact CG-CD1 4.42Å; P364-Y379 HydrophobicContact CG-CE1 3.77Å
380	E	88.9	Confident	78.8	Confident	51 Å²	51	68.6 Å²	68.6	24%	0.238	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.1	170.3	-170.2	175.8	-139.8	0	0	109.2	V362 K363 R365 L382	V362-E380 WeakPolarHBondContact CA-O 3.45Å; K363-E380 WeakPolarHBondContact CE-OE2 3.49Å; K363-E380 HydrophobicContact CG-CB 4.5Å; K363-E380 PolarHBondContact N-O 3.39Å; K363-E380 PolarHBondContact O-N 2.73Å; R365-E380 HydrophobicContact CB-CB 4.4Å; R365-E380 IonicContact CZ-OE1 3.75Å; R365-E380 IonicContact NH1-OE1 3.95Å; R365-E380 PolarHBondContact NH1-OE1 2.82Å; R365-E380 VanDerWaalsContact NH1-OE1 3.08Å; E380-L382 HydrophobicContact CG-CD2 3.75Å; E380-L382 HydrophobicContact CG-CG 3.95Å
381	F	91.2	Very high	79.5	Confident	18 Å²	18	67.6 Å²	67.6	8%	0.079	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118	171.7	-171.4	-83.6	0	0	0	109	M131 S134 M348 A360 V362 P383 L388	M131-F381 HydrophobicContact CB-CD2 3.69Å; M131-F381 HydrophobicContact CB-CE2 3.73Å; M131-F381 HydrophobicContact CG-CD2 4.09Å; M131-F381 HydrophobicContact CG-CE2 3.63Å; M131-F381 HydrophobicContact CG-CZ 4.16Å; S134-F381 VanDerWaalsContact OG-CD1 3.28Å; S134-F381 WeakPolarHBondContact OG-CD1 3.46Å; M348-F381 HydrophobicContact CE-CE2 4.19Å; M348-F381 HydrophobicContact CE-CZ 4.4Å; M348-F381 HydrophobicContact SD-CZ 4.31Å; A360-F381 HydrophobicContact CB-CE1 3.73Å; A360-F381 HydrophobicContact CB-CE2 4.04Å; A360-F381 HydrophobicContact CB-CZ 3.42Å; A360-F381 VanDerWaalsContact CB-CZ 3.42Å; V362-F381 HydrophobicContact CB-CD2 4.34Å; V362-F381 HydrophobicContact CG1-CB 4.35Å; V362-F381 HydrophobicContact CG1-CD2 4.16Å; V362-F381 HydrophobicContact CG2-CD2 3.34Å; V362-F381 HydrophobicContact CG2-CE2 3.65Å; V362-F381 HydrophobicContact CG2-CG 4.32Å; F381-P383 HydrophobicContact CD1-CG 4Å; F381-P383 HydrophobicContact CE1-CG 3.93Å; F381-P383 WeakPolarHBondContact O-CD 3.49Å; F381-L388 HydrophobicContact CE1-CD2 3.57Å; F381-L388 HydrophobicContact CZ-CD2 3.84Å
382	L	92.2	Very high	80.5	Confident	61 Å²	61	64.6 Å²	64.6	32%	0.319	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	93.9	-174.6	-65.8	174.2	0	0	0	110	A360 N361 K363 E380 S384	A360-L382 CarbonylContact C-O 3.56Å; A360-L382 VanDerWaalsContact CA-O 3.26Å; A360-L382 WeakPolarHBondContact CA-O 3.29Å; N361-L382 HydrophobicContact CB-CB 4.42Å; N361-L382 PolarHBondContact N-O 3.22Å; N361-L382 WeakPolarHBondContact O-CB 3.5Å; N361-L382 PolarHBondContact O-N 2.92Å; K363-L382 HydrophobicContact CD-CD1 3.98Å; K363-L382 HydrophobicContact CG-CD1 4.24Å; E380-L382 HydrophobicContact CG-CD2 3.75Å; E380-L382 HydrophobicContact CG-CG 3.95Å; L382-S384 PolarHBondContact O-N 3.28Å
383	P	90.9	Very high	81.6	Confident	77 Å²	77	65.8 Å²	65.8	50%	0.5	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	128.4	171.8	-15.8	27.6	0	0	0	110.4	F381 L388	F381-P383 HydrophobicContact CD1-CG 4Å; F381-P383 HydrophobicContact CE1-CG 3.93Å; F381-P383 WeakPolarHBondContact O-CD 3.49Å; P383-L388 HydrophobicContact CB-CD2 4.08Å; P383-L388 HydrophobicContact CG-CD2 4.34Å
384	S	91.1	Very high	82.8	Confident	69 Å²	69	60.8 Å²	60.8	48%	0.483	33%	0.331	S	S	.	.			trans	-105.8	-16.1	178.6	61.1	0	0	0	0	113	H358 V359 A360 L382	H358-S384 PolarHBondContact CE1-OG 2.89Å; H358-S384 PolarHBondContact ND1-OG 3.35Å; V359-S384 WeakPolarHBondContact CA-OG 3.32Å; V359-S384 PolarHBondContact O-N 3.48Å; V359-S384 PolarHBondContact O-OG 3.45Å; V359-S384 VanDerWaalsContact O-OG 3.13Å; A360-S384 PolarHBondContact N-OG 3.18Å; L382-S384 PolarHBondContact O-N 3.28Å
385	S	89.1	Confident	83.7	Confident	24 Å²	24	57.1 Å²	57.1	17%	0.168	32%	0.316	C	S	.	.			trans	-139.6	141.1	-175.4	-177.1	0	0	0	0	112.1	V359 L387 L388	V359-S385 PolarHBondContact O-N 2.98Å; S385-L387 PolarHBondContact O-N 3.44Å; S385-L387 WeakPolarHBondContact OG-CB 3.31Å; S385-L387 WeakPolarHBondContact OG-CG 3.47Å; S385-L387 PolarHBondContact OG-N 3.2Å; S385-L388 PolarHBondContact O-N 3.2Å
386	P	86.9	Confident	84	Confident	95 Å²	95	53.3 Å²	53.3	62%	0.617	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.8	-12.4	173.3	30.4	-36.3	0	0	0	112.5	L388 E389	P386-L388 PolarHBondContact O-N 3.44Å; P386-L388 VanDerWaalsContact O-N 3.08Å; P386-E389 WeakPolarHBondContact O-CB 3.5Å; P386-E389 PolarHBondContact O-N 3.02Å
387	L	87.1	Confident	83.8	Confident	34 Å²	34	54.5 Å²	54.5	18%	0.178	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24	173.2	-69.8	176.1	0	0	0	112.7	M350 R352 V357 V359 S385 E389 D390	M350-L387 HydrophobicContact SD-CB 4.5Å; R352-L387 HydrophobicContact CB-CD1 4.43Å; R352-L387 HydrophobicContact CG-CD2 4.5Å; V357-L387 HydrophobicContact CB-CD1 4.03Å; V357-L387 HydrophobicContact CG1-CD1 3.72Å; V357-L387 HydrophobicContact CG2-CD1 4.35Å; V359-L387 HydrophobicContact CG1-CB 3.93Å; V359-L387 HydrophobicContact CG1-CD1 4.38Å; S385-L387 PolarHBondContact O-N 3.44Å; S385-L387 WeakPolarHBondContact OG-CB 3.31Å; S385-L387 WeakPolarHBondContact OG-CG 3.47Å; S385-L387 PolarHBondContact OG-N 3.2Å; L387-E389 PolarHBondContact O-N 3.15Å; L387-D390 VanDerWaalsContact O-CB 3.31Å; L387-D390 WeakPolarHBondContact O-CB 3.3Å; L387-D390 PolarHBondContact O-N 3.26Å; L387-D390 VanDerWaalsContact O-N 3.14Å
388	L	87.2	Confident	83.2	Confident	8 Å²	8	55 Å²	55	4%	0.042	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-65.4	-26.9	175.5	-166.6	68.7	0	0	0	112.6	M135 M348 V359 F381 P383 S385 P386 D390 L391	M135-L388 HydrophobicContact CE-CD2 4.48Å; M135-L388 HydrophobicContact CE-CG 4.08Å; M135-L388 HydrophobicContact SD-CD2 3.71Å; M135-L388 HydrophobicContact SD-CG 3.97Å; M348-L388 HydrophobicContact SD-CD1 3.67Å; V359-L388 HydrophobicContact CG2-CD1 4.15Å; F381-L388 HydrophobicContact CE1-CD2 3.57Å; F381-L388 HydrophobicContact CZ-CD2 3.84Å; P383-L388 HydrophobicContact CB-CD2 4.08Å; P383-L388 HydrophobicContact CG-CD2 4.34Å; S385-L388 PolarHBondContact O-N 3.2Å; P386-L388 PolarHBondContact O-N 3.44Å; P386-L388 VanDerWaalsContact O-N 3.08Å; L388-D390 PolarHBondContact O-N 2.94Å; L388-L391 HydrophobicContact CD1-CD1 3.72Å; L388-L391 WeakPolarHBondContact O-CB 3.4Å; L388-L391 PolarHBondContact O-N 3.4Å
389	E	85.3	Confident	82.3	Confident	167 Å²	167	53.7 Å²	53.7	78%	0.78	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-71.7	-14.4	175.5	-58.6	-178.8	174.6	0	0	112.6	P386 L387 L391	P386-E389 WeakPolarHBondContact O-CB 3.5Å; P386-E389 PolarHBondContact O-N 3.02Å; L387-E389 PolarHBondContact O-N 3.15Å; E389-L391 PolarHBondContact O-N 3.21Å
390	D	85.4	Confident	81	Confident	67 Å²	67	56.6 Å²	56.6	36%	0.358	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-69.3	-16.8	172	-74.9	-2.2	0	0	0	111.4	H257 R352 L387 L388 P392	H257-D390 PolarHBondContact CD2-O 3.5Å; R352-D390 IonicContact CZ-OD2 2.8Å; R352-D390 IonicContact NH1-OD2 3.59Å; R352-D390 PolarHBondContact NH1-OD2 3.09Å; R352-D390 IonicContact NH2-OD2 3.51Å; L387-D390 VanDerWaalsContact O-CB 3.31Å; L387-D390 WeakPolarHBondContact O-CB 3.3Å; L387-D390 PolarHBondContact O-N 3.26Å; L387-D390 VanDerWaalsContact O-N 3.14Å; L388-D390 PolarHBondContact O-N 2.94Å; D390-P392 WeakPolarHBondContact O-CD 3.46Å
391	L	85.9	Confident	79.7	Confident	12 Å²	12	59 Å²	59	6%	0.063	33%	0.329	C	S	.	.	S	Bend	trans	-70.5	123.1	174.9	-69.4	179.1	0	0	0	110.4	M135 H257 A259 M350 L388 E389	M135-L391 HydrophobicContact CE-CB 4.37Å; M135-L391 HydrophobicContact CE-CD1 4.27Å; H257-L391 VanDerWaalsContact O-CD2 3.27Å; H257-L391 WeakPolarHBondContact O-CD2 3.21Å; A259-L391 HydrophobicContact CB-CD1 4.25Å; M350-L391 HydrophobicContact CE-CD2 3.86Å; M350-L391 HydrophobicContact CE-CG 4.08Å; M350-L391 HydrophobicContact SD-CG 4.45Å; L388-L391 HydrophobicContact CD1-CD1 3.72Å; L388-L391 WeakPolarHBondContact O-CB 3.4Å; L388-L391 PolarHBondContact O-N 3.4Å; E389-L391 PolarHBondContact O-N 3.21Å
392	P	83.4	Confident	78.3	Confident	18 Å²	18	63.2 Å²	63.2	12%	0.117	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-50.8	147.6	175.7	-27.6	32.6	0	0	0	114.2	L214 E215 S217 D390	L214-P392 WeakPolarHBondContact O-CG 3.48Å; E215-P392 WeakPolarHBondContact O-CB 3.5Å; S217-P392 WeakPolarHBondContact OG-CD 3.26Å; S217-P392 PolarHBondContact OG-O 3.29Å; D390-P392 WeakPolarHBondContact O-CD 3.46Å
393	P	81.9	Confident	77	Confident	85 Å²	85	66.1 Å²	66.1	55%	0.552	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-63.4	150.5	172.5	28.9	-34.8	0	0	0	110.7	T395	P393-T395 WeakPolarHBondContact CG-O 3.42Å; P393-T395 PolarHBondContact O-N 2.77Å
394	Y	81.7	Confident	75.6	Confident	43 Å²	43	68.2 Å²	68.2	17%	0.169	38%	0.375	C	S	.	.	S	Bend	trans	-64.2	-24.7	179.8	79.9	-76.5	0	0	0	113	K136 W137 K138 E139 Y400	K136-Y394 WeakPolarHBondContact O-CD1 3.49Å; K136-Y394 WeakPolarHBondContact O-CE1 3.26Å; W137-Y394 HydrophobicContact CB-CD1 4.27Å; W137-Y394 HydrophobicContact CB-CG 4.18Å; W137-Y394 AromaticContact CD1-CD1 3.71Å; W137-Y394 AromaticContact CD1-CG 4Å; W137-Y394 HydrophobicContact CG-CD1 4.24Å; W137-Y394 HydrophobicContact CG-CG 4.21Å; K138-Y394 HydrophobicContact CB-CE2 3.76Å; K138-Y394 WeakPolarHBondContact CB-OH 3.26Å; K138-Y394 HydrophobicContact CG-CE2 4.47Å; K138-Y394 WeakPolarHBondContact CG-OH 3.43Å; E139-Y394 HydrophobicContact CB-CD2 3.94Å; E139-Y394 HydrophobicContact CB-CE2 4.14Å; Y394-Y400 PolarHBondContact O-OH 3.36Å
395	T	75.6	Confident	74.4	Confident	44 Å²	44	67.8 Å²	67.8	27%	0.27	37%	0.371	S	S	.	.	S	Bend	trans	-124.8	142.6	177.4	-171.8	0	0	0	0	110	P393	P393-T395 WeakPolarHBondContact CG-O 3.42Å; P393-T395 PolarHBondContact O-N 2.77Å
396	S	65	Low	73	Confident	32 Å²	32	70.6 Å²	70.6	22%	0.224	39%	0.391	C	S	.	.			trans	-78.8	148.8	172.6	56.1	0	0	0	0	110.6	C398 G399	S396-C398 PolarHBondContact O-N 3.37Å; S396-G399 PolarHBondContact O-N 3.07Å; S396-G399 WeakPolarHBondContact OG-CA 3.25Å; S396-G399 PolarHBondContact OG-N 3.21Å; S396-G399 PolarHBondContact OG-O 3.24Å; S396-G399 VanDerWaalsContact OG-O 3.08Å
397	D	63.3	Low	71.9	Confident	169 Å²	169	70.5 Å²	70.5	90%	0.904	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.1	178.1	-66.6	-31.9	0	0	0	113.6
398	C	65.5	Low	71	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.216	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-0.5	-178.7	56.8	0	0	0	0	115	S396 N402 L404 C405	S396-C398 PolarHBondContact O-N 3.37Å; C398-N402 CarbonylContact O-C 3.57Å; C398-N402 WeakPolarHBondContact O-CA 3.38Å; C398-N402 PolarHBondContact SG-OD1 3.15Å; C398-L404 CarbonylContact O-C 3.53Å; C398-L404 WeakPolarHBondContact O-CA 3.45Å; C398-L404 PolarHBondContact O-N 3.01Å; C398-C405 HydrophobicContact CB-CB 4.26Å; C398-C405 WeakPolarHBondContact CB-SG 3.25Å; C398-C405 PolarHBondContact O-N 3.49Å; C398-C405 VanDerWaalsContact O-N 3.12Å
399	G	61.6	Low	70.2	Confident	2 Å²	2	80.8 Å²	80.8	2%	0.021	43%	0.43	C	S	.	.			trans	70.7	156.5	-166.3	0	0	0	0	0	112.3	S396 D401 N402	S396-G399 PolarHBondContact O-N 3.07Å; S396-G399 WeakPolarHBondContact OG-CA 3.25Å; S396-G399 PolarHBondContact OG-N 3.21Å; S396-G399 PolarHBondContact OG-O 3.24Å; S396-G399 VanDerWaalsContact OG-O 3.08Å; G399-D401 VanDerWaalsContact C-N 3.25Å; G399-D401 PolarHBondContact O-N 2.96Å; G399-N402 PolarHBondContact O-N 3.44Å; G399-N402 VanDerWaalsContact O-N 3.12Å
400	Y	61.3	Low	69.6	Low	81 Å²	81	77.3 Å²	77.3	32%	0.318	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.6	-167.7	-47.6	-62.6	0	0	0	114	E139 R188 Y394	E139-Y400 PolarHBondContact OE2-OH 3.11Å; R188-Y400 HydrophobicContact CB-CE1 4.29Å; R188-Y400 HydrophobicContact CG-CD1 3.89Å; R188-Y400 HydrophobicContact CG-CE1 3.38Å; Y394-Y400 PolarHBondContact O-OH 3.36Å
401	D	61.5	Low	69	Low	101 Å²	101	80.8 Å²	80.8	54%	0.54	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	10.2	178.3	52.3	8.4	0	0	0	112.4	G399 N403	G399-D401 VanDerWaalsContact C-N 3.25Å; G399-D401 PolarHBondContact O-N 2.96Å; D401-N403 PolarHBondContact O-N 2.86Å; D401-N403 WeakPolarHBondContact OD1-CB 3.3Å; D401-N403 PolarHBondContact OD1-N 2.92Å; D401-N403 PolarHBondContact OD1-ND2 3.45Å; D401-N403 PolarHBondContact OD2-ND2 3.41Å
402	N	61.8	Low	68.4	Low	106 Å²	106	84.1 Å²	84.1	57%	0.567	45%	0.449	S	S	*	.	S	Bend	trans	62.5	11.8	-168.7	-62.1	-38.4	0	0	0	114.9	C398 G399 L404 C405	C398-N402 CarbonylContact O-C 3.57Å; C398-N402 WeakPolarHBondContact O-CA 3.38Å; C398-N402 PolarHBondContact SG-OD1 3.15Å; G399-N402 PolarHBondContact O-N 3.44Å; G399-N402 VanDerWaalsContact O-N 3.12Å; N402-L404 VanDerWaalsContact C-N 3.28Å; N402-L404 PolarHBondContact O-N 3.29Å; N402-C405 WeakPolarHBondContact O-CB 2.99Å; N402-C405 PolarHBondContact O-N 3.44Å
403	N	64.7	Low	68.2	Low	123 Å²	123	88.6 Å²	88.6	66%	0.658	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.6	-178.1	-72.2	-21.1	0	0	0	114	D401	D401-N403 PolarHBondContact O-N 2.86Å; D401-N403 WeakPolarHBondContact OD1-CB 3.3Å; D401-N403 PolarHBondContact OD1-N 2.92Å; D401-N403 PolarHBondContact OD1-ND2 3.45Å; D401-N403 PolarHBondContact OD2-ND2 3.41Å
404	L	62.9	Low	68.1	Low	121 Å²	121	87.1 Å²	87.1	63%	0.634	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.2	176	-62.5	171	0	0	0	112.5	C398 N402 S406	C398-L404 CarbonylContact O-C 3.53Å; C398-L404 WeakPolarHBondContact O-CA 3.45Å; C398-L404 PolarHBondContact O-N 3.01Å; N402-L404 VanDerWaalsContact C-N 3.28Å; N402-L404 PolarHBondContact O-N 3.29Å; L404-S406 PolarHBondContact O-N 3.46Å; L404-S406 VanDerWaalsContact O-N 3.16Å
405	C	64.7	Low	68	Low	59 Å²	59	87.3 Å²	87.3	40%	0.399	48%	0.476	S	S	.	.	S	Bend	trans	-56.5	124.9	168	-101.5	0	0	0	0	108.5	C398 N402 D407	C398-C405 HydrophobicContact CB-CB 4.26Å; C398-C405 WeakPolarHBondContact CB-SG 3.25Å; C398-C405 PolarHBondContact O-N 3.49Å; C398-C405 VanDerWaalsContact O-N 3.12Å; N402-C405 WeakPolarHBondContact O-CB 2.99Å; N402-C405 PolarHBondContact O-N 3.44Å; C405-D407 PolarHBondContact O-N 3.33Å
406	S	60.5	Low	68.4	Low	84 Å²	84	89.7 Å²	89.7	59%	0.587	49%	0.486	S	S	*	.			trans	-64.9	102.1	176.4	132.1	0	0	0	0	108.7	L404 F408	L404-S406 PolarHBondContact O-N 3.46Å; L404-S406 VanDerWaalsContact O-N 3.16Å; S406-F408 PolarHBondContact O-N 3.03Å; S406-F408 WeakPolarHBondContact OG-CB 3.15Å; S406-F408 PolarHBondContact OG-N 2.81Å
407	D	64.4	Low	69.3	Low	92 Å²	92	92 Å²	92	49%	0.492	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	7.9	160.3	-75.9	-19.2	0	0	0	111.3	C405 H409 V410 F411	C405-D407 PolarHBondContact O-N 3.33Å; D407-H409 PolarHBondContact O-N 3.2Å; D407-V410 HydrophobicContact CB-CB 4.43Å; D407-V410 CarbonylContact O-C 3.51Å; D407-V410 WeakPolarHBondContact O-CA 3.48Å; D407-V410 WeakPolarHBondContact O-CB 3.18Å; D407-V410 PolarHBondContact O-N 3.49Å; D407-F411 HydrophobicContact CB-CD2 3.58Å; D407-F411 HydrophobicContact CB-CE2 3.46Å; D407-F411 VanDerWaalsContact CB-CE2 3.46Å; D407-F411 HydrophobicContact CB-CZ 4.46Å; D407-F411 WeakPolarHBondContact O-CD2 3.33Å; D407-F411 PolarHBondContact O-N 3.45Å
408	F	68.1	Low	70.3	Confident	120 Å²	120	90.1 Å²	90.1	53%	0.526	48%	0.482	S	S	.	.	H	α-helix	trans	-46.9	-38.7	179.7	-177.5	-103.6	0	0	0	112.2	S406 M412	S406-F408 PolarHBondContact O-N 3.03Å; S406-F408 WeakPolarHBondContact OG-CB 3.15Å; S406-F408 PolarHBondContact OG-N 2.81Å; F408-M412 HydrophobicContact CD1-CG 3.79Å; F408-M412 HydrophobicContact CD2-CG 4.21Å; F408-M412 HydrophobicContact CE1-CG 3.45Å; F408-M412 VanDerWaalsContact CE1-CG 3.45Å; F408-M412 HydrophobicContact CE1-SD 4.12Å; F408-M412 HydrophobicContact CE2-CG 3.9Å; F408-M412 HydrophobicContact CE2-SD 4.06Å; F408-M412 HydrophobicContact CG-CG 4.16Å; F408-M412 HydrophobicContact CZ-CG 3.5Å; F408-M412 HydrophobicContact CZ-SD 3.63Å; F408-M412 WeakPolarHBondContact O-CA 3.43Å; F408-M412 WeakPolarHBondContact O-CB 3.48Å; F408-M412 WeakPolarHBondContact O-CG 3.29Å; F408-M412 PolarHBondContact O-N 3.15Å
409	H	68.9	Low	71.1	Confident	138 Å²	138	91.1 Å²	91.1	64%	0.639	49%	0.49	S	S	*	.	H	α-helix	trans	-68.1	-39.5	175.9	-68.9	-60	0	0	0	113	D407 M412 I413	D407-H409 PolarHBondContact O-N 3.2Å; H409-M412 PolarHBondContact O-N 2.73Å; H409-I413 VanDerWaalsContact O-CG1 3.28Å; H409-I413 WeakPolarHBondContact O-CG1 3.44Å; H409-I413 PolarHBondContact O-N 3.28Å
410	V	73.2	Confident	72.3	Confident	95 Å²	95	96.5 Å²	96.5	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-66.3	-46.2	174.5	-176.7	0	0	0	0	110.1	D407 M412 I413 A414	D407-V410 HydrophobicContact CB-CB 4.43Å; D407-V410 CarbonylContact O-C 3.51Å; D407-V410 WeakPolarHBondContact O-CA 3.48Å; D407-V410 WeakPolarHBondContact O-CB 3.18Å; D407-V410 PolarHBondContact O-N 3.49Å; V410-M412 PolarHBondContact O-N 2.85Å; V410-I413 PolarHBondContact O-N 2.89Å; V410-A414 WeakPolarHBondContact O-CB 3.45Å; V410-A414 PolarHBondContact O-N 2.98Å
411	F	73.1	Confident	73.4	Confident	140 Å²	140	98.3 Å²	98.3	61%	0.614	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-35.2	175	-73.1	-60.5	0	0	0	112.8	D407 A414 A415	D407-F411 HydrophobicContact CB-CD2 3.58Å; D407-F411 HydrophobicContact CB-CE2 3.46Å; D407-F411 VanDerWaalsContact CB-CE2 3.46Å; D407-F411 HydrophobicContact CB-CZ 4.46Å; D407-F411 WeakPolarHBondContact O-CD2 3.33Å; D407-F411 PolarHBondContact O-N 3.45Å; F411-A414 PolarHBondContact O-N 3.43Å; F411-A415 WeakPolarHBondContact O-CA 3.21Å; F411-A415 WeakPolarHBondContact O-CB 2.98Å; F411-A415 PolarHBondContact O-N 3.42Å
412	M	74.4	Confident	74.4	Confident	81 Å²	81	96.7 Å²	96.7	40%	0.399	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-44	175.9	-83.3	-68	-67.4	0	0	110.9	F408 H409 V410 A415 I416	F408-M412 HydrophobicContact CD1-CG 3.79Å; F408-M412 HydrophobicContact CD2-CG 4.21Å; F408-M412 HydrophobicContact CE1-CG 3.45Å; F408-M412 VanDerWaalsContact CE1-CG 3.45Å; F408-M412 HydrophobicContact CE1-SD 4.12Å; F408-M412 HydrophobicContact CE2-CG 3.9Å; F408-M412 HydrophobicContact CE2-SD 4.06Å; F408-M412 HydrophobicContact CG-CG 4.16Å; F408-M412 HydrophobicContact CZ-CG 3.5Å; F408-M412 HydrophobicContact CZ-SD 3.63Å; F408-M412 WeakPolarHBondContact O-CA 3.43Å; F408-M412 WeakPolarHBondContact O-CB 3.48Å; F408-M412 WeakPolarHBondContact O-CG 3.29Å; F408-M412 PolarHBondContact O-N 3.15Å; H409-M412 PolarHBondContact O-N 2.73Å; V410-M412 PolarHBondContact O-N 2.85Å; M412-A415 PolarHBondContact O-N 3.34Å; M412-I416 WeakPolarHBondContact O-CB 3.42Å; M412-I416 WeakPolarHBondContact O-CD1 3.5Å; M412-I416 WeakPolarHBondContact O-CG1 3.36Å; M412-I416 PolarHBondContact O-N 3.42Å
413	I	79.1	Confident	75.6	Confident	113 Å²	113	96.2 Å²	96.2	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-46.6	174.9	-66.9	166.4	0	0	0	109.9	H409 V410 A415 I416 V417	H409-I413 VanDerWaalsContact O-CG1 3.28Å; H409-I413 WeakPolarHBondContact O-CG1 3.44Å; H409-I413 PolarHBondContact O-N 3.28Å; V410-I413 PolarHBondContact O-N 2.89Å; I413-A415 VanDerWaalsContact C-N 3.34Å; I413-A415 PolarHBondContact O-N 3.29Å; I413-I416 PolarHBondContact O-N 3.26Å; I413-V417 WeakPolarHBondContact O-CG2 3.34Å; I413-V417 PolarHBondContact O-N 3.27Å
414	A	78.6	Confident	76.5	Confident	54 Å²	54	94 Å²	94	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-42.4	175.7	0	0	0	0	0	111.8	V410 F411 V417 F418	V410-A414 WeakPolarHBondContact O-CB 3.45Å; V410-A414 PolarHBondContact O-N 2.98Å; F411-A414 PolarHBondContact O-N 3.43Å; A414-V417 PolarHBondContact O-N 3.31Å; A414-F418 WeakPolarHBondContact O-CB 2.99Å; A414-F418 PolarHBondContact O-N 2.97Å
415	A	80.2	Confident	77.7	Confident	46 Å²	46	94 Å²	94	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-67.2	-36	178.3	0	0	0	0	0	112.2	F411 M412 I413 S419	F411-A415 WeakPolarHBondContact O-CA 3.21Å; F411-A415 WeakPolarHBondContact O-CB 2.98Å; F411-A415 PolarHBondContact O-N 3.42Å; M412-A415 PolarHBondContact O-N 3.34Å; I413-A415 VanDerWaalsContact C-N 3.34Å; I413-A415 PolarHBondContact O-N 3.29Å; A415-S419 WeakPolarHBondContact O-CB 3.39Å; A415-S419 PolarHBondContact O-N 3.28Å; A415-S419 PolarHBondContact O-OG 3.46Å
416	I	83.8	Confident	78.6	Confident	94 Å²	94	93.8 Å²	93.8	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-48.4	173.7	-70.8	163.3	0	0	0	109.8	M412 I413 F418 S419 I420	M412-I416 WeakPolarHBondContact O-CB 3.42Å; M412-I416 WeakPolarHBondContact O-CD1 3.5Å; M412-I416 WeakPolarHBondContact O-CG1 3.36Å; M412-I416 PolarHBondContact O-N 3.42Å; I413-I416 PolarHBondContact O-N 3.26Å; I416-F418 PolarHBondContact O-N 3.11Å; I416-S419 PolarHBondContact O-N 3.17Å; I416-I420 HydrophobicContact CG2-CD1 3.96Å; I416-I420 VanDerWaalsContact O-CG1 3.29Å; I416-I420 WeakPolarHBondContact O-CG1 3.39Å; I416-I420 PolarHBondContact O-N 3.12Å
417	V	84.5	Confident	79.8	Confident	81 Å²	81	94.2 Å²	94.2	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-43.8	177.4	175.6	0	0	0	0	111.1	I413 A414 S419 I420 L421	I413-V417 WeakPolarHBondContact O-CG2 3.34Å; I413-V417 PolarHBondContact O-N 3.27Å; A414-V417 PolarHBondContact O-N 3.31Å; V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 2.98Å; V417-I420 PolarHBondContact O-N 3.47Å; V417-L421 HydrophobicContact CG1-CD1 4.41Å; V417-L421 PolarHBondContact O-N 3.1Å
418	F	83.7	Confident	80.7	Confident	129 Å²	129	92.4 Å²	92.4	57%	0.566	51%	0.505	S	S	*	.	H	α-helix	trans	-66.5	-35.8	178.1	-151.8	-114.1	0	0	0	111.5	A414 I416 L421 L422	A414-F418 WeakPolarHBondContact O-CB 2.99Å; A414-F418 PolarHBondContact O-N 2.97Å; I416-F418 PolarHBondContact O-N 3.11Å; F418-L421 PolarHBondContact O-N 3.06Å; F418-L422 HydrophobicContact CD1-CD1 3.31Å; F418-L422 HydrophobicContact CD1-CG 3.74Å; F418-L422 HydrophobicContact CE1-CD1 3.04Å; F418-L422 HydrophobicContact CE1-CD2 4.39Å; F418-L422 HydrophobicContact CE1-CG 3.66Å; F418-L422 HydrophobicContact CG-CD1 4.31Å; F418-L422 HydrophobicContact CG-CG 4.29Å; F418-L422 HydrophobicContact CZ-CD1 3.83Å; F418-L422 HydrophobicContact CZ-CD2 4.43Å; F418-L422 HydrophobicContact CZ-CG 4.08Å; F418-L422 WeakPolarHBondContact O-CB 3.25Å; F418-L422 PolarHBondContact O-N 2.83Å
419	S	82.7	Confident	81.6	Confident	54 Å²	54	92.4 Å²	92.4	38%	0.378	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-40.4	174.6	-63.7	0	0	0	0	111.8	A415 I416 V417 L421 I423	A415-S419 WeakPolarHBondContact O-CB 3.39Å; A415-S419 PolarHBondContact O-N 3.28Å; A415-S419 PolarHBondContact O-OG 3.46Å; I416-S419 PolarHBondContact O-N 3.17Å; V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 2.98Å; S419-L421 PolarHBondContact O-N 3.19Å; S419-I423 WeakPolarHBondContact O-CB 3.29Å; S419-I423 WeakPolarHBondContact O-CG1 3.4Å; S419-I423 PolarHBondContact O-N 3.26Å
420	I	85.6	Confident	82.2	Confident	115 Å²	115	93 Å²	93	59%	0.59	50%	0.503	S	S	*	.	H	α-helix	trans	-62.9	-32.4	176.4	-70.1	166.9	0	0	0	111.4	I416 V417 P424	I416-I420 HydrophobicContact CG2-CD1 3.96Å; I416-I420 VanDerWaalsContact O-CG1 3.29Å; I416-I420 WeakPolarHBondContact O-CG1 3.39Å; I416-I420 PolarHBondContact O-N 3.12Å; V417-I420 PolarHBondContact O-N 3.47Å; I420-P424 WeakPolarHBondContact O-CD 3.37Å; I420-P424 WeakPolarHBondContact O-CG 3.01Å
421	L	84.5	Confident	82.6	Confident	119 Å²	119	93.3 Å²	93.3	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-88.7	-44.4	178	-66.9	173	0	0	0	113.2	V417 F418 S419 M425	V417-L421 HydrophobicContact CG1-CD1 4.41Å; V417-L421 PolarHBondContact O-N 3.1Å; F418-L421 PolarHBondContact O-N 3.06Å; S419-L421 PolarHBondContact O-N 3.19Å; L421-M425 WeakPolarHBondContact O-CB 3.48Å; L421-M425 PolarHBondContact O-N 3.11Å
422	L	83.9	Confident	83	Confident	67 Å²	67	93.2 Å²	93.2	35%	0.351	50%	0.502	S	S	.	.	H	α-helix	trans	-75.1	-38.2	-176.8	-82.2	-165.2	0	0	0	113.3	F418 M425 A426	F418-L422 HydrophobicContact CD1-CD1 3.31Å; F418-L422 HydrophobicContact CD1-CG 3.74Å; F418-L422 HydrophobicContact CE1-CD1 3.04Å; F418-L422 HydrophobicContact CE1-CD2 4.39Å; F418-L422 HydrophobicContact CE1-CG 3.66Å; F418-L422 HydrophobicContact CG-CD1 4.31Å; F418-L422 HydrophobicContact CG-CG 4.29Å; F418-L422 HydrophobicContact CZ-CD1 3.83Å; F418-L422 HydrophobicContact CZ-CD2 4.43Å; F418-L422 HydrophobicContact CZ-CG 4.08Å; F418-L422 WeakPolarHBondContact O-CB 3.25Å; F418-L422 PolarHBondContact O-N 2.83Å; L422-M425 HydrophobicContact CD2-CE 3.4Å; L422-M425 CarbonylContact O-C 3.54Å; L422-M425 PolarHBondContact O-N 3.23Å; L422-A426 WeakPolarHBondContact O-CB 3.4Å; L422-A426 PolarHBondContact O-N 3.42Å
423	I	85.5	Confident	83.4	Confident	96 Å²	96	96.6 Å²	96.6	49%	0.492	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-48.5	-176.6	-66.1	170.1	0	0	0	110.7	S419 M425 A426 I427	S419-I423 WeakPolarHBondContact O-CB 3.29Å; S419-I423 WeakPolarHBondContact O-CG1 3.4Å; S419-I423 PolarHBondContact O-N 3.26Å; I423-M425 VanDerWaalsContact C-N 3.33Å; I423-M425 PolarHBondContact O-N 3.06Å; I423-A426 PolarHBondContact O-N 3.5Å; I423-I427 HydrophobicContact CG2-CD1 3.68Å; I423-I427 HydrophobicContact CG2-CG1 4.34Å; I423-I427 WeakPolarHBondContact O-CB 3.47Å; I423-I427 WeakPolarHBondContact O-CG1 3.28Å; I423-I427 PolarHBondContact O-N 2.86Å
424	P	84.8	Confident	83.4	Confident	75 Å²	75	95 Å²	95	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-39.1	174.3	-21.9	33.6	0	0	0	112.7	I420 I427 A428	I420-P424 WeakPolarHBondContact O-CD 3.37Å; I420-P424 WeakPolarHBondContact O-CG 3.01Å; P424-I427 PolarHBondContact O-N 3.24Å; P424-A428 VanDerWaalsContact O-CB 3.28Å; P424-A428 WeakPolarHBondContact O-CB 3.45Å; P424-A428 PolarHBondContact O-N 3.45Å
425	M	86.7	Confident	83.4	Confident	121 Å²	121	95.3 Å²	95.3	60%	0.596	49%	0.491	S	S	*	.	H	α-helix	trans	-67.3	-38.9	178.1	-168.6	179.1	75.7	0	0	112.2	L421 L422 I423 A428 F429	L421-M425 WeakPolarHBondContact O-CB 3.48Å; L421-M425 PolarHBondContact O-N 3.11Å; L422-M425 HydrophobicContact CD2-CE 3.4Å; L422-M425 CarbonylContact O-C 3.54Å; L422-M425 PolarHBondContact O-N 3.23Å; I423-M425 VanDerWaalsContact C-N 3.33Å; I423-M425 PolarHBondContact O-N 3.06Å; M425-A428 PolarHBondContact O-N 3.03Å; M425-F429 VanDerWaalsContact O-CB 3.23Å; M425-F429 WeakPolarHBondContact O-CB 3.42Å; M425-F429 PolarHBondContact O-N 2.85Å
426	A	83.8	Confident	83.5	Confident	56 Å²	56	98.1 Å²	98.1	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-71.1	-37.5	175.9	0	0	0	0	0	111.5	L422 I423 Y430	L422-A426 WeakPolarHBondContact O-CB 3.4Å; L422-A426 PolarHBondContact O-N 3.42Å; I423-A426 PolarHBondContact O-N 3.5Å; A426-Y430 WeakPolarHBondContact O-CB 3.39Å; A426-Y430 PolarHBondContact O-N 3.24Å
427	I	85.8	Confident	83.2	Confident	92 Å²	92	97.7 Å²	97.7	47%	0.472	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-46.9	171.1	-69	166.9	0	0	0	109.6	I423 P424 F429 Y430 L431	I423-I427 HydrophobicContact CG2-CD1 3.68Å; I423-I427 HydrophobicContact CG2-CG1 4.34Å; I423-I427 WeakPolarHBondContact O-CB 3.47Å; I423-I427 WeakPolarHBondContact O-CG1 3.28Å; I423-I427 PolarHBondContact O-N 2.86Å; P424-I427 PolarHBondContact O-N 3.24Å; I427-F429 PolarHBondContact O-N 2.75Å; I427-Y430 PolarHBondContact O-N 3.17Å; I427-L431 HydrophobicContact CG2-CD1 3.88Å; I427-L431 HydrophobicContact CG2-CG 4.27Å; I427-L431 WeakPolarHBondContact O-CB 3.39Å; I427-L431 WeakPolarHBondContact O-CG 3.38Å; I427-L431 PolarHBondContact O-N 3.47Å
428	A	84.1	Confident	82.7	Confident	54 Å²	54	94.3 Å²	94.3	45%	0.446	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-45.4	176.4	0	0	0	0	0	111.5	P424 M425 L431 Q432	P424-A428 VanDerWaalsContact O-CB 3.28Å; P424-A428 WeakPolarHBondContact O-CB 3.45Å; P424-A428 PolarHBondContact O-N 3.45Å; M425-A428 PolarHBondContact O-N 3.03Å; A428-L431 PolarHBondContact O-N 2.92Å; A428-Q432 VanDerWaalsContact O-CB 3.23Å; A428-Q432 WeakPolarHBondContact O-CB 3.31Å; A428-Q432 PolarHBondContact O-N 2.64Å
429	F	85.7	Confident	82.5	Confident	121 Å²	121	94.1 Å²	94.1	53%	0.531	47%	0.474	S	S	.	.	H	α-helix	trans	-64.3	-39.8	175.1	-178.6	-99.9	0	0	0	112.2	M425 I427 Q432 R433	M425-F429 VanDerWaalsContact O-CB 3.23Å; M425-F429 WeakPolarHBondContact O-CB 3.42Å; M425-F429 PolarHBondContact O-N 2.85Å; I427-F429 PolarHBondContact O-N 2.75Å; F429-Q432 PolarHBondContact O-N 2.77Å; F429-R433 WeakPolarHBondContact O-CB 3.42Å; F429-R433 PolarHBondContact O-N 2.85Å
430	Y	82.1	Confident	82.6	Confident	151 Å²	151	97.1 Å²	97.1	59%	0.592	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-44.8	175.8	174	-96	0	0	0	111.3	A426 I427 R433 K434	A426-Y430 WeakPolarHBondContact O-CB 3.39Å; A426-Y430 PolarHBondContact O-N 3.24Å; I427-Y430 PolarHBondContact O-N 3.17Å; Y430-R433 PolarHBondContact O-N 2.93Å; Y430-K434 VanDerWaalsContact O-CB 3.23Å; Y430-K434 WeakPolarHBondContact O-CB 3.33Å; Y430-K434 PolarHBondContact O-N 3.11Å
431	L	81.9	Confident	82.7	Confident	101 Å²	101	93.9 Å²	93.9	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-43.1	175.6	-68.7	174.1	0	0	0	111	I427 A428 K434 E435	I427-L431 HydrophobicContact CG2-CD1 3.88Å; I427-L431 HydrophobicContact CG2-CG 4.27Å; I427-L431 WeakPolarHBondContact O-CB 3.39Å; I427-L431 WeakPolarHBondContact O-CG 3.38Å; I427-L431 PolarHBondContact O-N 3.47Å; A428-L431 PolarHBondContact O-N 2.92Å; L431-K434 PolarHBondContact O-N 3.36Å; L431-E435 WeakPolarHBondContact O-CB 3.48Å; L431-E435 PolarHBondContact O-N 3.4Å
432	Q	82.2	Confident	82.9	Confident	138 Å²	138	90.2 Å²	90.2	65%	0.645	45%	0.448	S	S	*	.	H	α-helix	trans	-63.9	-43.9	175.8	-172.7	-179.9	7.2	0	0	111.6	A428 F429 E435 H436	A428-Q432 VanDerWaalsContact O-CB 3.23Å; A428-Q432 WeakPolarHBondContact O-CB 3.31Å; A428-Q432 PolarHBondContact O-N 2.64Å; F429-Q432 PolarHBondContact O-N 2.77Å; Q432-E435 PolarHBondContact O-N 2.91Å; Q432-H436 WeakPolarHBondContact O-CB 3.29Å; Q432-H436 PolarHBondContact O-N 3.49Å
433	R	82.5	Confident	83.2	Confident	151 Å²	151	87 Å²	87	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-66.3	-41.2	176.8	-174.9	175.8	177.7	172.8	0.2	111.4	F429 Y430 E435 H436 L437	F429-R433 WeakPolarHBondContact O-CB 3.42Å; F429-R433 PolarHBondContact O-N 2.85Å; Y430-R433 PolarHBondContact O-N 2.93Å; R433-E435 VanDerWaalsContact C-N 3.34Å; R433-H436 PolarHBondContact O-N 3.05Å; R433-L437 HydrophobicContact CG-CD1 4.27Å; R433-L437 WeakPolarHBondContact O-CB 3.28Å; R433-L437 VanDerWaalsContact O-CG 3.28Å; R433-L437 WeakPolarHBondContact O-CG 3.5Å; R433-L437 PolarHBondContact O-N 3.16Å
434	K	78.2	Confident	83.6	Confident	81 Å²	81	87 Å²	87	35%	0.352	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-44.9	174.8	-175.3	179.7	176	-178.2	0	110.6	Y430 L431 L437 I438 E513	Y430-K434 VanDerWaalsContact O-CB 3.23Å; Y430-K434 WeakPolarHBondContact O-CB 3.33Å; Y430-K434 PolarHBondContact O-N 3.11Å; L431-K434 PolarHBondContact O-N 3.36Å; K434-L437 PolarHBondContact O-N 3.46Å; K434-I438 HydrophobicContact CG-CD1 4.44Å; K434-I438 WeakPolarHBondContact O-CG1 3.46Å; K434-I438 PolarHBondContact O-N 2.83Å; K434-I438 VanDerWaalsContact O-N 3.14Å; K434-E513 IonicContact NZ-OE1 3.79Å
435	E	79.7	Confident	83.9	Confident	59 Å²	59	84 Å²	84	28%	0.276	41%	0.406	S	S	.	.	H	α-helix	trans	-67	-40.7	177.7	-158.4	65.6	-155.9	0	0	111.6	L431 Q432 R433 L437 I438 Q439 R509	L431-E435 WeakPolarHBondContact O-CB 3.48Å; L431-E435 PolarHBondContact O-N 3.4Å; Q432-E435 PolarHBondContact O-N 2.91Å; R433-E435 VanDerWaalsContact C-N 3.34Å; E435-L437 PolarHBondContact O-N 3.23Å; E435-I438 PolarHBondContact O-N 2.78Å; E435-Q439 WeakPolarHBondContact O-CG 3.36Å; E435-Q439 PolarHBondContact O-N 3.45Å; E435-R509 IonicContact OE1-NE 3.96Å; E435-R509 PolarHBondContact OE1-NE 3.42Å; E435-R509 VanDerWaalsContact OE1-NE 3.09Å; E435-R509 IonicContact OE2-CZ 2.82Å; E435-R509 IonicContact OE2-NE 3.95Å; E435-R509 PolarHBondContact OE2-NE 3.23Å; E435-R509 VanDerWaalsContact OE2-NE 3.07Å; E435-R509 IonicContact OE2-NH2 3.23Å; E435-R509 PolarHBondContact OE2-NH2 2.91Å
436	H	81.7	Confident	84.1	Confident	106 Å²	106	81.1 Å²	81.1	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-41.2	175	-172.3	-87.3	0	0	0	112.5	Q432 R433 I438 Q439 Q440	Q432-H436 WeakPolarHBondContact O-CB 3.29Å; Q432-H436 PolarHBondContact O-N 3.49Å; R433-H436 PolarHBondContact O-N 3.05Å; H436-I438 VanDerWaalsContact C-N 3.33Å; H436-I438 PolarHBondContact O-N 2.71Å; H436-Q439 PolarHBondContact O-N 3.26Å; H436-Q440 PolarHBondContact CE1-NE2 2.96Å; H436-Q440 PolarHBondContact ND1-NE2 3.44Å; H436-Q440 WeakPolarHBondContact O-CG 3.29Å; H436-Q440 PolarHBondContact O-N 2.99Å; H436-Q440 VanDerWaalsContact O-N 3.07Å
437	L	76.6	Confident	84.4	Confident	85 Å²	85	81 Å²	81	45%	0.445	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-33.9	175.8	-72.7	170.1	0	0	0	112.5	R433 K434 E435 N516	R433-L437 HydrophobicContact CG-CD1 4.27Å; R433-L437 WeakPolarHBondContact O-CB 3.28Å; R433-L437 VanDerWaalsContact O-CG 3.28Å; R433-L437 WeakPolarHBondContact O-CG 3.5Å; R433-L437 PolarHBondContact O-N 3.16Å; K434-L437 PolarHBondContact O-N 3.46Å; E435-L437 PolarHBondContact O-N 3.23Å; L437-N516 PolarHBondContact O-ND2 2.85Å
438	I	75.3	Confident	84.4	Confident	9 Å²	9	84.2 Å²	84.2	5%	0.046	41%	0.406	C	S	.	.	H	α-helix	trans	-67.3	-41.3	173.6	-66.2	167.7	0	0	0	110.3	K434 E435 H436 Q440 M441 M512	K434-I438 HydrophobicContact CG-CD1 4.44Å; K434-I438 WeakPolarHBondContact O-CG1 3.46Å; K434-I438 PolarHBondContact O-N 2.83Å; K434-I438 VanDerWaalsContact O-N 3.14Å; E435-I438 PolarHBondContact O-N 2.78Å; H436-I438 VanDerWaalsContact C-N 3.33Å; H436-I438 PolarHBondContact O-N 2.71Å; I438-Q440 VanDerWaalsContact C-N 3.35Å; I438-Q440 PolarHBondContact O-N 2.93Å; I438-M441 PolarHBondContact O-N 2.03Å; I438-M512 HydrophobicContact CG2-CB 3.85Å; I438-M512 HydrophobicContact CG2-CE 4.35Å
439	Q	80	Confident	84.7	Confident	125 Å²	125	83.3 Å²	83.3	58%	0.584	40%	0.396	S	S	*	.	H	α-helix	trans	-72.2	-21.7	-178.9	-70.5	-177.5	5.7	0	0	114.6	E435 H436 M441	E435-Q439 WeakPolarHBondContact O-CG 3.36Å; E435-Q439 PolarHBondContact O-N 3.45Å; H436-Q439 PolarHBondContact O-N 3.26Å; Q439-M441 PolarHBondContact O-N 2.86Å
440	Q	83	Confident	84.8	Confident	118 Å²	118	78.1 Å²	78.1	55%	0.551	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.4	175.8	-79.7	-177.8	-14.7	0	0	113.8	H436 I438	H436-Q440 PolarHBondContact CE1-NE2 2.96Å; H436-Q440 PolarHBondContact ND1-NE2 3.44Å; H436-Q440 WeakPolarHBondContact O-CG 3.29Å; H436-Q440 PolarHBondContact O-N 2.99Å; H436-Q440 VanDerWaalsContact O-N 3.07Å; I438-Q440 VanDerWaalsContact C-N 3.35Å; I438-Q440 PolarHBondContact O-N 2.93Å
441	M	87.9	Confident	85.1	Confident	46 Å²	46	73.9 Å²	73.9	23%	0.227	37%	0.366	C	S	.	.			trans	42.4	58.9	-179.8	-58.1	175.1	-174.8	0	0	113.2	I438 Q439 W443 R444 M512	I438-M441 PolarHBondContact O-N 2.03Å; Q439-M441 PolarHBondContact O-N 2.86Å; M441-W443 HydrophobicContact CB-CZ2 3.99Å; M441-W443 HydrophobicContact CG-CH2 4.48Å; M441-W443 HydrophobicContact CG-CZ2 3.89Å; M441-W443 PolarHBondContact O-N 3.04Å; M441-W443 HydrophobicContact SD-CH2 4.37Å; M441-W443 HydrophobicContact SD-CZ2 4.33Å; M441-R444 HydrophobicContact CB-CB 3.93Å; M441-R444 WeakPolarHBondContact O-CB 3.24Å; M441-R444 PolarHBondContact O-N 3.32Å; M441-M512 HydrophobicContact CE-SD 3.39Å; M441-M512 WeakPolarHBondContact CE-SD 3.47Å; M441-M512 HydrophobicContact CG-SD 4.19Å
442	P	88.8	Confident	85.2	Confident	42 Å²	42	71.4 Å²	71.4	27%	0.273	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.4	-175.8	24.8	-37.4	0	0	0	115.3	N516 Y520	P442-N516 VanDerWaalsContact CD-OD1 3.27Å; P442-N516 WeakPolarHBondContact CD-OD1 3.38Å; P442-N516 WeakPolarHBondContact CG-OD1 3.23Å; P442-Y520 HydrophobicContact CG-CE2 4.11Å
443	W	91.6	Very high	84.5	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.3	171.7	50.5	-96.1	0	0	0	113.3	M441 V445 F507 M512 L515 N516 K519 F529 G531 I532 F534	M441-W443 HydrophobicContact CB-CZ2 3.99Å; M441-W443 HydrophobicContact CG-CH2 4.48Å; M441-W443 HydrophobicContact CG-CZ2 3.89Å; M441-W443 PolarHBondContact O-N 3.04Å; M441-W443 HydrophobicContact SD-CH2 4.37Å; M441-W443 HydrophobicContact SD-CZ2 4.33Å; W443-V445 PolarHBondContact O-N 2.9Å; W443-F507 HydrophobicContact CH2-CD1 4.4Å; W443-F507 AromaticContact CH2-CD2 3.57Å; W443-F507 HydrophobicContact CH2-CD2 3.57Å; W443-F507 AromaticContact CH2-CE2 3.72Å; W443-F507 HydrophobicContact CH2-CE2 3.72Å; W443-F507 AromaticContact CH2-CG 3.93Å; W443-F507 HydrophobicContact CH2-CG 3.93Å; W443-F507 HydrophobicContact CH2-CZ 4.19Å; W443-F507 HydrophobicContact CZ3-CD2 4.27Å; W443-F507 AromaticContact CZ3-CE2 3.94Å; W443-F507 HydrophobicContact CZ3-CE2 3.94Å; W443-F507 HydrophobicContact CZ3-CZ 4.17Å; W443-M512 HydrophobicContact CZ2-CG 4.18Å; W443-L515 HydrophobicContact CD2-CB 3.9Å; W443-L515 HydrophobicContact CD2-CD1 3.96Å; W443-L515 HydrophobicContact CE3-CD1 4Å; W443-L515 HydrophobicContact CG-CB 3.89Å; W443-L515 HydrophobicContact CH2-CD1 3.76Å; W443-L515 HydrophobicContact CZ2-CB 4.37Å; W443-L515 HydrophobicContact CZ2-CD1 3.71Å; W443-L515 HydrophobicContact CZ3-CD1 3.89Å; W443-N516 PolarHBondContact NE1-OD1 3.46Å; W443-K519 HydrophobicContact CB-CB 4.18Å; W443-K519 HydrophobicContact CB-CD 4.42Å; W443-K519 HydrophobicContact CB-CG 4.33Å; W443-F529 HydrophobicContact CB-CE1 3.84Å; W443-G531 CarbonylContact O-C 3.58Å; W443-G531 WeakPolarHBondContact O-CA 3.35Å; W443-I532 HydrophobicContact CE3-CB 4.26Å; W443-I532 HydrophobicContact CE3-CD1 4.46Å; W443-I532 HydrophobicContact CZ3-CB 4.4Å; W443-I532 PolarHBondContact O-N 3Å; W443-F534 AromaticContact CH2-CE1 3.98Å; W443-F534 HydrophobicContact CH2-CE1 3.98Å; W443-F534 HydrophobicContact CH2-CZ 4.31Å; W443-F534 HydrophobicContact CZ3-CD1 4.28Å; W443-F534 AromaticContact CZ3-CE1 3.62Å; W443-F534 HydrophobicContact CZ3-CE1 3.62Å; W443-F534 HydrophobicContact CZ3-CZ 4.38Å
444	R	92.8	Very high	83	Confident	96 Å²	96	70.9 Å²	70.9	36%	0.362	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-78.9	117.7	177	-175.4	174.1	-173.5	171.3	1.3	109.1	M441 F534	M441-R444 HydrophobicContact CB-CB 3.93Å; M441-R444 WeakPolarHBondContact O-CB 3.24Å; M441-R444 PolarHBondContact O-N 3.32Å; R444-F534 HydrophobicContact CB-CE1 4.49Å; R444-F534 HydrophobicContact CG-CE1 3.85Å
445	V	91.7	Very high	81.2	Confident	11 Å²	11	75.1 Å²	75.1	7%	0.067	39%	0.391	C	S	.	.			trans	-107.4	125.9	179.7	177.3	0	0	0	0	108.3	W443 S449 I450 V489 I532 C533 M543	W443-V445 PolarHBondContact O-N 2.9Å; V445-S449 WeakPolarHBondContact CG1-OG 3.26Å; V445-I450 HydrophobicContact CG1-CD1 4.14Å; V445-I450 HydrophobicContact CG1-CG1 3.92Å; V445-V489 HydrophobicContact CG1-CG1 3.74Å; V445-I532 PolarHBondContact N-O 2.89Å; V445-I532 VanDerWaalsContact N-O 3.1Å; V445-C533 WeakPolarHBondContact O-CA 2.94Å; V445-C533 VanDerWaalsContact O-CB 3.29Å; V445-C533 WeakPolarHBondContact O-CB 3.37Å; V445-M543 HydrophobicContact CB-CE 3.57Å; V445-M543 HydrophobicContact CG1-CE 3.88Å; V445-M543 HydrophobicContact CG1-SD 4.4Å; V445-M543 HydrophobicContact CG2-CE 3.8Å
446	P	90.5	Very high	78.9	Confident	61 Å²	61	75.9 Å²	75.9	40%	0.396	41%	0.414	S	S	.	.			trans	-72.3	143.2	175.1	29.1	-32	0	0	0	110.9	D448 S449 Q536	P446-D448 VanDerWaalsContact C-N 3.25Å; P446-D448 PolarHBondContact O-N 3.41Å; P446-S449 PolarHBondContact O-N 3.38Å; P446-S449 PolarHBondContact O-OG 3.3Å; P446-Q536 VanDerWaalsContact CA-OE1 3.28Å
447	L	89.6	Confident	76.3	Confident	54 Å²	54	74 Å²	74	28%	0.283	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-57.2	-38.4	-178	-175.4	62.3	0	0	0	111.9	S449 I450 F452 Q536 I541	L447-S449 PolarHBondContact O-N 3.35Å; L447-S449 VanDerWaalsContact O-N 3.1Å; L447-I450 HydrophobicContact CD1-CD1 4.31Å; L447-I450 WeakPolarHBondContact O-CB 3.19Å; L447-I450 PolarHBondContact O-N 3.17Å; L447-F452 HydrophobicContact CD1-CE2 4.4Å; L447-Q536 HydrophobicContact CB-CB 4.1Å; L447-Q536 WeakPolarHBondContact CD2-O 3.07Å; L447-I541 HydrophobicContact CD1-CD1 4.13Å
448	D	87.4	Confident	73.9	Confident	160 Å²	160	75.3 Å²	75.3	86%	0.856	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-61.5	-20.1	179	-56.5	-22.7	0	0	0	113.6	P446 I450	P446-D448 VanDerWaalsContact C-N 3.25Å; P446-D448 PolarHBondContact O-N 3.41Å; D448-I450 VanDerWaalsContact C-N 3.33Å
449	S	88.9	Confident	71.8	Confident	34 Å²	34	80.9 Å²	80.9	24%	0.238	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-87.1	-3.6	176.3	71	0	0	0	0	113.8	V445 P446 L447	V445-S449 WeakPolarHBondContact CG1-OG 3.26Å; P446-S449 PolarHBondContact O-N 3.38Å; P446-S449 PolarHBondContact O-OG 3.3Å; L447-S449 PolarHBondContact O-N 3.35Å; L447-S449 VanDerWaalsContact O-N 3.1Å
450	I	88.9	Confident	69.4	Low	13 Å²	13	80.4 Å²	80.4	7%	0.067	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.1	-178.2	-47.7	177.5	0	0	0	108.2	V445 L447 D448 F452 A487 V489 C533 M543	V445-I450 HydrophobicContact CG1-CD1 4.14Å; V445-I450 HydrophobicContact CG1-CG1 3.92Å; L447-I450 HydrophobicContact CD1-CD1 4.31Å; L447-I450 WeakPolarHBondContact O-CB 3.19Å; L447-I450 PolarHBondContact O-N 3.17Å; D448-I450 VanDerWaalsContact C-N 3.33Å; I450-F452 HydrophobicContact CB-CE2 4.29Å; I450-F452 HydrophobicContact CB-CZ 4.35Å; I450-F452 HydrophobicContact CG2-CD1 4.48Å; I450-F452 HydrophobicContact CG2-CD2 4.36Å; I450-F452 HydrophobicContact CG2-CE1 3.85Å; I450-F452 HydrophobicContact CG2-CE2 3.71Å; I450-F452 HydrophobicContact CG2-CZ 3.42Å; I450-F452 VanDerWaalsContact CG2-CZ 3.42Å; I450-A487 HydrophobicContact CG2-CB 3.62Å; I450-V489 HydrophobicContact CB-CG2 4.28Å; I450-V489 HydrophobicContact CG1-CG2 3.93Å; I450-V489 HydrophobicContact CG2-CG2 4.09Å; I450-C533 HydrophobicContact CD1-CB 3.8Å; I450-M543 HydrophobicContact CD1-CE 3.97Å; I450-M543 HydrophobicContact CD1-SD 3.74Å; I450-M543 HydrophobicContact CG1-SD 4.25Å
451	S	88	Confident	66.8	Low	61 Å²	61	79 Å²	79	43%	0.427	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.6	171.4	62.5	0	0	0	0	109.9	I488	S451-I488 PolarHBondContact N-O 3.3Å; S451-I488 PolarHBondContact O-N 3.11Å; S451-I488 WeakPolarHBondContact OG-CB 3.46Å; S451-I488 PolarHBondContact OG-O 2.87Å
452	F	84.1	Confident	64.1	Low	49 Å²	49	80.9 Å²	80.9	22%	0.215	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.6	170.3	-57.5	-79.9	0	0	0	108.6	L447 I450 D454 A487 V496 I541	L447-F452 HydrophobicContact CD1-CE2 4.4Å; I450-F452 HydrophobicContact CB-CE2 4.29Å; I450-F452 HydrophobicContact CB-CZ 4.35Å; I450-F452 HydrophobicContact CG2-CD1 4.48Å; I450-F452 HydrophobicContact CG2-CD2 4.36Å; I450-F452 HydrophobicContact CG2-CE1 3.85Å; I450-F452 HydrophobicContact CG2-CE2 3.71Å; I450-F452 HydrophobicContact CG2-CZ 3.42Å; I450-F452 VanDerWaalsContact CG2-CZ 3.42Å; F452-D454 PolarHBondContact O-N 3.1Å; F452-D454 VanDerWaalsContact O-N 3.08Å; F452-A487 HydrophobicContact CD1-CB 3.74Å; F452-A487 HydrophobicContact CE1-CB 3.77Å; F452-V496 HydrophobicContact CE1-CG1 4.49Å; F452-I541 HydrophobicContact CZ-CD1 3.95Å
453	D	67.1	Low	61.5	Low	123 Å²	123	89.6 Å²	89.6	66%	0.658	53%	0.533	S	S	*	.			trans	-70.5	104.4	174.5	-82	-27.2	0	0	0	108.9	N455	D453-N455 PolarHBondContact O-N 3.07Å
454	D	50.5	Low	58.7	Low	156 Å²	156	100.2 Å²	100.2	83%	0.834	57%	0.573	S	S	*	*			trans	-69.5	28	-176.6	-91.5	-20.1	0	0	0	115.2	F452 G456	F452-D454 PolarHBondContact O-N 3.1Å; F452-D454 VanDerWaalsContact O-N 3.08Å; D454-G456 PolarHBondContact O-N 3.26Å
455	N	40.9	Very low	56.1	Low	170 Å²	170	101.2 Å²	101.2	91%	0.909	59%	0.59	S	S	*	*			trans	-78.3	41.9	169.3	-88.8	-15.5	0	0	0	112.7	D453 G457	D453-N455 PolarHBondContact O-N 3.07Å; N455-G457 PolarHBondContact O-N 3.33Å
456	G	30.8	Very low	53.5	Low	74 Å²	74	106 Å²	106	76%	0.763	62%	0.624	S	S	*	*			trans	-90	60.8	170.5	0	0	0	0	0	112.5	D454 S458	D454-G456 PolarHBondContact O-N 3.26Å; G456-S458 PolarHBondContact O-N 3.43Å
457	G	27.7	Very low	50.7	Low	68 Å²	68	109.3 Å²	109.3	70%	0.701	64%	0.643	S	S	*	*			trans	-81.2	96.6	163	0	0	0	0	0	110.8	N455 L459	N455-G457 PolarHBondContact O-N 3.33Å; G457-L459 PolarHBondContact O-N 3.13Å
458	S	27.5	Very low	48.4	Very low	111 Å²	111	114.2 Å²	114.2	78%	0.776	67%	0.668	S	S	*	*			trans	34.1	84.6	152.9	-180	0	0	0	0	118	G456	G456-S458 PolarHBondContact O-N 3.43Å
459	L	30.6	Very low	45.9	Very low	126 Å²	126	109.6 Å²	109.6	66%	0.66	65%	0.648	S	S	*	*			trans	-139.8	68.6	154.8	-78	174.1	0	0	0	110.9	G457	G457-L459 PolarHBondContact O-N 3.13Å
460	S	28.5	Very low	43.5	Very low	116 Å²	116	115 Å²	115	81%	0.811	68%	0.679	S	S	*	*			trans	-64.4	134	135.3	-74.8	0	0	0	0	108
461	A	29.7	Very low	41.2	Very low	89 Å²	89	118.1 Å²	118.1	74%	0.736	71%	0.707	S	S	*	*	S	Bend	trans	70.9	127.3	172.5	0	0	0	0	0	117.9
462	S	31.5	Very low	38.9	Very low	84 Å²	84	124.6 Å²	124.6	59%	0.587	72%	0.723	S	S	*	*			trans	79.7	71.8	162.8	-169.1	0	0	0	0	118.3
463	R	32.7	Very low	36.5	Very low	225 Å²	225	124.3 Å²	124.3	85%	0.849	73%	0.729	S	S	*	*			trans	-99.3	100.7	136.3	-77.6	-171.8	-162.8	162.8	7.5	108.4	V465	R463-V465 PolarHBondContact O-N 2.86Å
464	R	34.4	Very low	35	Very low	224 Å²	224	121.7 Å²	121.7	85%	0.845	72%	0.721	S	S	*	*			trans	-56.8	117.7	175.3	-71.4	175.1	-175.9	158.6	0.2	108.5	S466	R464-S466 PolarHBondContact O-N 3.39Å
465	V	36.9	Very low	34.4	Very low	117 Å²	117	122.7 Å²	122.7	71%	0.709	71%	0.714	S	S	*	*			trans	-52.1	113.2	159.3	173.6	0	0	0	0	107	R463 T467	R463-V465 PolarHBondContact O-N 2.86Å; V465-T467 PolarHBondContact O-N 3.39Å
466	S	37.5	Very low	34.1	Very low	112 Å²	112	117.9 Å²	117.9	78%	0.783	69%	0.693	S	S	*	*			trans	-63.1	119.7	160.8	34.5	0	0	0	0	107.2	R464 I468	R464-S466 PolarHBondContact O-N 3.39Å; S466-I468 PolarHBondContact O-N 3.17Å; S466-I468 VanDerWaalsContact O-N 3.1Å
467	T	31.6	Very low	34.3	Very low	130 Å²	130	118.3 Å²	118.3	80%	0.798	69%	0.685	S	S	*	*			trans	-60.4	100.8	-175.6	40.3	0	0	0	0	111.8	V465	V465-T467 PolarHBondContact O-N 3.39Å
468	I	41.3	Very low	34.8	Very low	157 Å²	157	120.5 Å²	120.5	81%	0.805	68%	0.679	S	S	*	*	S	Bend	trans	-146.9	117.6	152.7	-90.4	141.6	0	0	0	108	S466	S466-I468 PolarHBondContact O-N 3.17Å; S466-I468 VanDerWaalsContact O-N 3.1Å
469	S	35.5	Very low	35.2	Very low	62 Å²	62	120.7 Å²	120.7	43%	0.434	67%	0.666	S	S	.	*			trans	70.9	83.9	170.8	68.7	0	0	0	0	119.1	A471 R472	S469-A471 PolarHBondContact O-N 3.33Å; S469-R472 PolarHBondContact O-N 3.4Å
470	T	37.2	Very low	35.4	Very low	147 Å²	147	117.8 Å²	117.8	90%	0.902	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	10.3	177.8	36.9	0	0	0	0	117.1
471	A	41.3	Very low	35.7	Very low	79 Å²	79	115.4 Å²	115.4	65%	0.653	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	-18.8	171.2	0	0	0	0	0	113.8	S469	S469-A471 PolarHBondContact O-N 3.33Å
472	R	39.6	Very low	36.3	Very low	198 Å²	198	117.4 Å²	117.4	75%	0.747	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-28.9	180	-81	-179.7	-178.3	147.5	0.7	113.4	S469 S474 Y475	S469-R472 PolarHBondContact O-N 3.4Å; R472-S474 PolarHBondContact O-N 3.06Å; R472-S474 VanDerWaalsContact O-N 3.15Å; R472-Y475 PolarHBondContact O-N 3.48Å
473	A	33	Very low	37.2	Very low	43 Å²	43	118.8 Å²	118.8	36%	0.355	65%	0.654	S	S	.	*	H	α-helix	trans	-63.1	-19.2	179.9	0	0	0	0	0	114.2	S476 S477	A473-S476 PolarHBondContact O-OG 2.82Å; A473-S477 WeakPolarHBondContact O-CB 3.37Å; A473-S477 PolarHBondContact O-N 2.75Å; A473-S477 PolarHBondContact O-OG 2.87Å
474	S	37	Very low	38.4	Very low	68 Å²	68	109.7 Å²	109.7	48%	0.476	63%	0.626	S	S	.	*	H	α-helix	trans	-75.8	-24.3	178.3	-51.4	0	0	0	0	113.3	R472 I478	R472-S474 PolarHBondContact O-N 3.06Å; R472-S474 VanDerWaalsContact O-N 3.15Å; S474-I478 WeakPolarHBondContact O-CD1 3.47Å; S474-I478 VanDerWaalsContact O-CG1 3.23Å; S474-I478 WeakPolarHBondContact O-CG1 3.39Å
475	Y	37.3	Very low	40.3	Very low	176 Å²	176	103 Å²	103	69%	0.69	60%	0.604	S	S	*	*	H	α-helix	trans	-87.5	-37.7	176.2	-77.7	-82.1	0	0	0	111.9	R472 I478 F479	R472-Y475 PolarHBondContact O-N 3.48Å; Y475-I478 PolarHBondContact O-N 3.31Å; Y475-F479 PolarHBondContact O-N 3.43Å
476	S	34	Very low	42.6	Very low	69 Å²	69	99.4 Å²	99.4	48%	0.483	58%	0.58	S	S	.	*	H	α-helix	trans	-68.5	-39.3	179.8	64.1	0	0	0	0	112.3	A473 I478 F479 S480	A473-S476 PolarHBondContact O-OG 2.82Å; S476-I478 VanDerWaalsContact C-N 3.27Å; S476-I478 PolarHBondContact O-N 3.42Å; S476-F479 PolarHBondContact O-N 2.82Å; S476-S480 WeakPolarHBondContact O-CB 3.38Å; S476-S480 PolarHBondContact O-N 3.42Å
477	S	34.6	Very low	45.1	Very low	83 Å²	83	94.2 Å²	94.2	58%	0.58	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-22	177.4	52.4	0	0	0	0	114.6	A473	A473-S477 WeakPolarHBondContact O-CB 3.37Å; A473-S477 PolarHBondContact O-N 2.75Å; A473-S477 PolarHBondContact O-OG 2.87Å
478	I	38.7	Very low	47.9	Very low	115 Å²	115	90.8 Å²	90.8	59%	0.59	52%	0.52	S	S	*	.	H	α-helix	trans	-79.2	-30.2	176.7	-66	172.7	0	0	0	111.4	S474 Y475 S476	S474-I478 WeakPolarHBondContact O-CD1 3.47Å; S474-I478 VanDerWaalsContact O-CG1 3.23Å; S474-I478 WeakPolarHBondContact O-CG1 3.39Å; Y475-I478 PolarHBondContact O-N 3.31Å; S476-I478 VanDerWaalsContact C-N 3.27Å; S476-I478 PolarHBondContact O-N 3.42Å
479	F	36.8	Very low	50.2	Low	114 Å²	114	83.4 Å²	83.4	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-98.5	-17.8	179.7	-80.9	-89.7	0	0	0	113.8	Y475 S476 G481 E553	Y475-F479 PolarHBondContact O-N 3.43Å; S476-F479 PolarHBondContact O-N 2.82Å; F479-G481 PolarHBondContact O-N 3.16Å; F479-G481 VanDerWaalsContact O-N 3.09Å; F479-E553 WeakPolarHBondContact CD1-OE1 3.22Å
480	S	34.6	Very low	52.6	Low	65 Å²	65	86.6 Å²	86.6	46%	0.455	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	4.8	-176.6	-161.8	0	0	0	0	115.3	S476 N482	S476-S480 WeakPolarHBondContact O-CB 3.38Å; S476-S480 PolarHBondContact O-N 3.42Å; S480-N482 PolarHBondContact O-N 3.26Å
481	G	33.8	Very low	54.7	Low	66 Å²	66	89.3 Å²	89.3	68%	0.68	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.5	-174.2	0	0	0	0	0	116.2	F479	F479-G481 PolarHBondContact O-N 3.16Å; F479-G481 VanDerWaalsContact O-N 3.09Å
482	N	43.4	Very low	57	Low	132 Å²	132	91.5 Å²	91.5	71%	0.706	49%	0.491	S	S	*	.			trans	-123.3	54.4	-177.5	-70	-30.4	0	0	0	111.7	S480 A484	S480-N482 PolarHBondContact O-N 3.26Å; N482-A484 PolarHBondContact O-N 3.36Å
483	V	49.8	Very low	59.4	Low	113 Å²	113	86.6 Å²	86.6	69%	0.685	48%	0.475	S	S	*	.			trans	-59.2	102.2	156.5	178.4	0	0	0	0	105.5	E485	V483-E485 PolarHBondContact O-N 3.31Å
484	A	57.4	Low	62.2	Low	34 Å²	34	84.6 Å²	84.6	28%	0.281	46%	0.458	S	S	.	.			trans	-55.1	116.5	-173.6	0	0	0	0	0	108.3	N482 H486	N482-A484 PolarHBondContact O-N 3.36Å; A484-H486 PolarHBondContact O-CE1 3.25Å; A484-H486 PolarHBondContact O-ND1 3.3Å; A484-H486 PolarHBondContact O-NE2 3.2Å; A484-H486 VanDerWaalsContact O-NE2 3.13Å
485	E	75.3	Confident	64.8	Low	82 Å²	82	82.3 Å²	82.3	38%	0.383	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	147.9	176.7	-161.8	-178.4	171.1	0	0	108.6	V483 S495 V496 R498	V483-E485 PolarHBondContact O-N 3.31Å; E485-S495 WeakPolarHBondContact O-CA 3.47Å; E485-V496 HydrophobicContact CB-CB 4.4Å; E485-V496 PolarHBondContact O-N 3.32Å; E485-R498 IonicContact OE1-CZ 3.83Å; E485-R498 IonicContact OE1-NE 2.89Å; E485-R498 PolarHBondContact OE1-NE 3.05Å; E485-R498 IonicContact OE1-NH2 3.44Å; E485-R498 PolarHBondContact OE1-NH2 3Å; E485-R498 WeakPolarHBondContact OE2-CD 3.31Å; E485-R498 IonicContact OE2-CZ 2.83Å; E485-R498 IonicContact OE2-NE 2.7Å; E485-R498 PolarHBondContact OE2-NE 3.17Å; E485-R498 IonicContact OE2-NH2 3.8Å
486	H	85.2	Confident	67.3	Low	42 Å²	42	74.2 Å²	74.2	19%	0.194	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144	-179.2	-54.6	-50.1	0	0	0	110.4	A484 K493 V494 F546 Y550	A484-H486 PolarHBondContact O-CE1 3.25Å; A484-H486 PolarHBondContact O-ND1 3.3Å; A484-H486 PolarHBondContact O-NE2 3.2Å; A484-H486 VanDerWaalsContact O-NE2 3.13Å; H486-K493 HydrophobicContact CB-CG 4.45Å; H486-V494 VanDerWaalsContact CA-O 3.25Å; H486-V494 WeakPolarHBondContact CA-O 3.39Å; H486-F546 AromaticContact CD2-CE2 3.78Å; H486-F546 AromaticContact CE1-CD2 3.24Å; H486-F546 WeakPolarHBondContact CE1-CD2 3.44Å; H486-F546 AromaticContact CE1-CE2 3.13Å; H486-F546 WeakPolarHBondContact CE1-CE2 3.44Å; H486-F546 AromaticContact CG-CD2 3.84Å; H486-F546 AromaticContact CG-CE2 3.91Å; H486-F546 AromaticContact ND1-CD2 3.21Å; H486-F546 WeakPolarHBondContact ND1-CD2 3.01Å; H486-F546 AromaticContact ND1-CE2 3.53Å; H486-F546 AromaticContact NE2-CD2 3.82Å; H486-F546 AromaticContact NE2-CE2 3.25Å; H486-F546 WeakPolarHBondContact NE2-CE2 3.28Å; H486-Y550 AromaticContact NE2-CE1 3.85Å
487	A	89.8	Confident	69.8	Low	3 Å²	3	74.5 Å²	74.5	3%	0.025	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	169.6	171.4	0	0	0	0	0	109.7	I450 F452 K493 V494 V496	I450-A487 HydrophobicContact CG2-CB 3.62Å; F452-A487 HydrophobicContact CD1-CB 3.74Å; F452-A487 HydrophobicContact CE1-CB 3.77Å; A487-K493 CarbonylContact O-C 3.49Å; A487-K493 WeakPolarHBondContact O-CA 2.95Å; A487-V494 HydrophobicContact CB-CG2 4.07Å; A487-V494 PolarHBondContact N-O 3.29Å; A487-V494 WeakPolarHBondContact O-CG2 3.43Å; A487-V494 PolarHBondContact O-N 3.21Å; A487-V496 HydrophobicContact CB-CG2 3.66Å
488	I	90.8	Very high	72.3	Confident	58 Å²	58	74.4 Å²	74.4	30%	0.297	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.9	171.1	-58.8	169.1	0	0	0	108	S451 Q492	S451-I488 PolarHBondContact N-O 3.3Å; S451-I488 PolarHBondContact O-N 3.11Å; S451-I488 WeakPolarHBondContact OG-CB 3.46Å; S451-I488 PolarHBondContact OG-O 2.87Å; I488-Q492 WeakPolarHBondContact CA-O 3.43Å
489	V	89	Confident	74.6	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.012	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.5	176.4	179.6	0	0	0	0	107.9	V445 I450 K491 Q492 V494 T530 M543	V445-V489 HydrophobicContact CG1-CG1 3.74Å; I450-V489 HydrophobicContact CB-CG2 4.28Å; I450-V489 HydrophobicContact CG1-CG2 3.93Å; I450-V489 HydrophobicContact CG2-CG2 4.09Å; V489-K491 PolarHBondContact O-N 3.14Å; V489-Q492 PolarHBondContact N-O 3.13Å; V489-Q492 WeakPolarHBondContact O-CB 3.09Å; V489-Q492 PolarHBondContact O-N 3.41Å; V489-V494 HydrophobicContact CB-CG1 4.37Å; V489-V494 HydrophobicContact CB-CG2 4.43Å; V489-V494 HydrophobicContact CG2-CG1 4.46Å; V489-V494 HydrophobicContact CG2-CG2 3.71Å; V489-T530 HydrophobicContact CG1-CG2 4.49Å; V489-M543 HydrophobicContact CG2-SD 3.77Å
490	N	84.9	Confident	77.1	Confident	129 Å²	129	69 Å²	69	69%	0.69	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.4	-177.9	-62.1	-28.6	0	0	0	113.5	Q492	N490-Q492 PolarHBondContact O-N 3.38Å
491	K	83.2	Confident	79.6	Confident	205 Å²	205	66.9 Å²	66.9	89%	0.891	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	10.2	-176	-50.4	178.4	179.7	179.2	0	115.3	V489	V489-K491 PolarHBondContact O-N 3.14Å
492	Q	88.3	Confident	82.2	Confident	125 Å²	125	71.5 Å²	71.5	58%	0.584	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.9	174.4	-65.3	-174.9	-15.5	0	0	110.6	I488 V489 N490	I488-Q492 WeakPolarHBondContact CA-O 3.43Å; V489-Q492 PolarHBondContact N-O 3.13Å; V489-Q492 WeakPolarHBondContact O-CB 3.09Å; V489-Q492 PolarHBondContact O-N 3.41Å; N490-Q492 PolarHBondContact O-N 3.38Å
493	K	90.6	Very high	84.4	Confident	95 Å²	95	72.9 Å²	72.9	41%	0.413	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131	175	-164.9	167.8	178.2	170.5	0	109.8	H486 A487 F546	H486-K493 HydrophobicContact CB-CG 4.45Å; A487-K493 CarbonylContact O-C 3.49Å; A487-K493 WeakPolarHBondContact O-CA 2.95Å; K493-F546 HydrophobicContact CB-CB 3.99Å; K493-F546 HydrophobicContact CB-CD1 4.19Å; K493-F546 HydrophobicContact CB-CG 4.31Å; K493-F546 HydrophobicContact CD-CD1 3.6Å; K493-F546 HydrophobicContact CD-CE1 3.86Å; K493-F546 HydrophobicContact CD-CG 3.96Å; K493-F546 HydrophobicContact CD-CZ 4.45Å; K493-F546 HydrophobicContact CG-CB 3.84Å; K493-F546 HydrophobicContact CG-CD1 3.87Å; K493-F546 HydrophobicContact CG-CG 3.81Å; K493-F546 WeakPolarHBondContact O-CB 3.35Å; K493-F546 PolarHBondContact O-N 3.3Å
494	V	91.9	Very high	86.3	Confident	1 Å²	1	71 Å²	71	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149	-178.5	-62.5	0	0	0	0	111	H486 A487 V489 V496 T530 M543 W544	H486-V494 VanDerWaalsContact CA-O 3.25Å; H486-V494 WeakPolarHBondContact CA-O 3.39Å; A487-V494 HydrophobicContact CB-CG2 4.07Å; A487-V494 PolarHBondContact N-O 3.29Å; A487-V494 WeakPolarHBondContact O-CG2 3.43Å; A487-V494 PolarHBondContact O-N 3.21Å; V489-V494 HydrophobicContact CB-CG1 4.37Å; V489-V494 HydrophobicContact CB-CG2 4.43Å; V489-V494 HydrophobicContact CG2-CG1 4.46Å; V489-V494 HydrophobicContact CG2-CG2 3.71Å; V494-V496 HydrophobicContact CG2-CG2 4Å; V494-T530 HydrophobicContact CG1-CG2 3.94Å; V494-T530 WeakPolarHBondContact CG1-OG1 3.01Å; V494-M543 HydrophobicContact CB-CB 4.42Å; V494-M543 HydrophobicContact CG2-CB 4.4Å; V494-M543 HydrophobicContact CG2-CG 4.21Å; V494-M543 HydrophobicContact CG2-SD 4.39Å; V494-W544 CarbonylContact C-O 3.55Å; V494-W544 VanDerWaalsContact CA-O 3.28Å; V494-W544 WeakPolarHBondContact CA-O 3.23Å; V494-W544 WeakPolarHBondContact CB-O 3.16Å
495	S	90.7	Very high	87.9	Confident	19 Å²	19	69.4 Å²	69.4	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.1	166.9	-66.3	0	0	0	0	109.5	E485 M543 W544	E485-S495 WeakPolarHBondContact O-CA 3.47Å; S495-M543 WeakPolarHBondContact O-CA 3.14Å; S495-W544 PolarHBondContact N-O 2.95Å; S495-W544 PolarHBondContact O-N 3.28Å
496	V	89.8	Confident	88.6	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134	-168.5	179.2	0	0	0	0	110.6	F452 E485 A487 V494 R498 I541 M543	F452-V496 HydrophobicContact CE1-CG1 4.49Å; E485-V496 HydrophobicContact CB-CB 4.4Å; E485-V496 PolarHBondContact O-N 3.32Å; A487-V496 HydrophobicContact CB-CG2 3.66Å; V494-V496 HydrophobicContact CG2-CG2 4Å; V496-R498 HydrophobicContact CG1-CG 4.05Å; V496-I541 HydrophobicContact CB-CG2 4.49Å; V496-I541 HydrophobicContact CG1-CG2 3.24Å; V496-M543 HydrophobicContact CG2-CG 4.27Å
497	K	87.5	Confident	88.9	Confident	76 Å²	76	69.3 Å²	69.3	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.9	166.7	-69.1	-175.5	-179.7	174	0	110.1	I541 V542 D610	K497-I541 WeakPolarHBondContact O-CA 3.48Å; K497-V542 HydrophobicContact CB-CB 4.46Å; K497-V542 PolarHBondContact N-O 2.88Å; K497-V542 PolarHBondContact O-N 3.46Å; K497-D610 IonicContact NZ-OD1 2.82Å; K497-D610 PolarHBondContact NZ-OD1 2.99Å; K497-D610 IonicContact NZ-OD2 3.55Å; K497-D610 PolarHBondContact NZ-OD2 3.36Å
498	R	87.4	Confident	88.9	Confident	81 Å²	81	71.8 Å²	71.8	31%	0.306	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136	-179.4	-58.6	177.8	-172.8	-124.4	10.9	110.8	E485 V496 E539 L540 I541	E485-R498 IonicContact OE1-CZ 3.83Å; E485-R498 IonicContact OE1-NE 2.89Å; E485-R498 PolarHBondContact OE1-NE 3.05Å; E485-R498 IonicContact OE1-NH2 3.44Å; E485-R498 PolarHBondContact OE1-NH2 3Å; E485-R498 WeakPolarHBondContact OE2-CD 3.31Å; E485-R498 IonicContact OE2-CZ 2.83Å; E485-R498 IonicContact OE2-NE 2.7Å; E485-R498 PolarHBondContact OE2-NE 3.17Å; E485-R498 IonicContact OE2-NH2 3.8Å; V496-R498 HydrophobicContact CG1-CG 4.05Å; R498-E539 WeakPolarHBondContact CD-OE2 3.35Å; R498-E539 IonicContact CZ-OE2 3.74Å; R498-E539 IonicContact NE-OE2 2.85Å; R498-E539 IonicContact NH1-OE2 3.92Å; R498-E539 PolarHBondContact NH1-OE2 3.04Å; R498-L540 CarbonylContact C-O 3.55Å; R498-I541 HydrophobicContact CG-CG1 4.49Å
499	H	87.1	Confident	88.7	Confident	32 Å²	32	74.6 Å²	74.6	15%	0.148	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.4	173.9	-64.1	-88.5	0	0	0	109.1	Q501 E539 L540 L626	H499-Q501 PolarHBondContact O-N 3.06Å; H499-E539 CarbonylContact O-C 3.46Å; H499-E539 VanDerWaalsContact O-CA 3.31Å; H499-E539 WeakPolarHBondContact O-CA 3.17Å; H499-L540 HydrophobicContact CB-CB 4.37Å; H499-L540 HydrophobicContact CB-CD2 4.33Å; H499-L540 PolarHBondContact N-O 3.32Å; H499-L540 PolarHBondContact O-N 3.09Å; H499-L626 HydrophobicContact CB-CD1 4.47Å; H499-L626 HydrophobicContact CB-CD2 4.03Å
500	V	88	Confident	88.6	Confident	83 Å²	83	82 Å²	82	50%	0.503	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	119	178.7	179.5	0	0	0	0	109.6	L626 A627	V500-L626 WeakPolarHBondContact O-CA 3.23Å; V500-A627 HydrophobicContact CB-CB 3.82Å; V500-A627 HydrophobicContact CG1-CB 4.25Å; V500-A627 PolarHBondContact O-N 3.34Å
501	Q	88.3	Confident	88.9	Confident	20 Å²	20	76.6 Å²	76.6	9%	0.093	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-93.7	120.8	-179.5	-171.2	-175.1	-37.9	0	0	110	H499 R503 I505 N535 S538 L626	H499-Q501 PolarHBondContact O-N 3.06Å; Q501-R503 VanDerWaalsContact CG-O 3.23Å; Q501-R503 WeakPolarHBondContact CG-O 3.41Å; Q501-R503 PolarHBondContact NE2-O 3.28Å; Q501-I505 HydrophobicContact CG-CD1 3.9Å; Q501-I505 HydrophobicContact CG-CG1 4.3Å; Q501-N535 PolarHBondContact NE2-OD1 2.64Å; Q501-S538 PolarHBondContact N-O 3.36Å; Q501-L626 HydrophobicContact CB-CD2 4.29Å; Q501-L626 HydrophobicContact CG-CD2 4.44Å
502	R	88.4	Confident	89.2	Confident	164 Å²	164	67.9 Å²	67.9	62%	0.619	33%	0.326	S	S	*	.			trans	-98.4	-27.7	-177.9	-66.9	-175.8	172.3	-173.1	-2.1	113.6	E625	R502-E625 PolarHBondContact N-O 2.65Å
503	R	89.5	Confident	89.2	Confident	160 Å²	160	64.6 Å²	64.6	60%	0.604	31%	0.311	S	S	*	.	S	Bend	trans	-138.8	158.9	-178.7	-65.3	-178.3	172.2	-176.5	-5.4	110	Q501 I505 E625	Q501-R503 VanDerWaalsContact CG-O 3.23Å; Q501-R503 WeakPolarHBondContact CG-O 3.41Å; Q501-R503 PolarHBondContact NE2-O 3.28Å; R503-I505 PolarHBondContact O-N 2.88Å; R503-E625 HydrophobicContact CB-CB 4.37Å; R503-E625 HydrophobicContact CB-CG 4.22Å; R503-E625 PolarHBondContact N-O 2.86Å
504	A	89.8	Confident	89.1	Confident	73 Å²	73	62.9 Å²	62.9	60%	0.603	31%	0.305	S	S	*	.			trans	-61.7	129.6	173.9	0	0	0	0	0	110	N535	A504-N535 WeakPolarHBondContact CA-OD1 3.27Å
505	I	90.5	Very high	89.1	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.305	C	S	.	.			trans	-96.6	134.3	-179	-66.2	169.2	0	0	0	108.6	Q501 R503 F507 F534 N535 L540 R620 E625 L626	Q501-I505 HydrophobicContact CG-CD1 3.9Å; Q501-I505 HydrophobicContact CG-CG1 4.3Å; R503-I505 PolarHBondContact O-N 2.88Å; I505-F507 HydrophobicContact CG2-CD2 4.35Å; I505-F507 HydrophobicContact CG2-CE2 3.86Å; I505-F507 HydrophobicContact CG2-CZ 4.03Å; I505-F534 HydrophobicContact CB-CD2 4.18Å; I505-F534 HydrophobicContact CG2-CD2 4.48Å; I505-F534 WeakPolarHBondContact O-CE2 3.29Å; I505-N535 PolarHBondContact N-OD1 3.09Å; I505-N535 PolarHBondContact O-ND2 3.24Å; I505-L540 HydrophobicContact CD1-CB 4.44Å; I505-L540 HydrophobicContact CD1-CD1 3.43Å; I505-L540 VanDerWaalsContact CD1-CD1 3.43Å; I505-R620 HydrophobicContact CG2-CG 4.49Å; I505-E625 HydrophobicContact CG1-CB 4.1Å; I505-L626 HydrophobicContact CD1-CD2 3.79Å; I505-L626 HydrophobicContact CD1-CG 4.18Å
506	T	90.6	Very high	89.1	Confident	103 Å²	103	62.8 Å²	62.8	63%	0.632	30%	0.303	S	S	*	.			trans	-115.6	155.8	167.6	58.6	0	0	0	0	109.4	R620	T506-R620 PolarHBondContact O-NE 2.9Å; T506-R620 PolarHBondContact O-NH2 3.18Å
507	F	90.2	Very high	89	Confident	20 Å²	20	66 Å²	66	9%	0.088	32%	0.317	C	S	.	.			trans	-116.6	128.7	176.2	-67.6	-90.4	0	0	0	108.4	W443 I505 E511 M512 L515 F534 I616	W443-F507 HydrophobicContact CH2-CD1 4.4Å; W443-F507 AromaticContact CH2-CD2 3.57Å; W443-F507 HydrophobicContact CH2-CD2 3.57Å; W443-F507 AromaticContact CH2-CE2 3.72Å; W443-F507 HydrophobicContact CH2-CE2 3.72Å; W443-F507 AromaticContact CH2-CG 3.93Å; W443-F507 HydrophobicContact CH2-CG 3.93Å; W443-F507 HydrophobicContact CH2-CZ 4.19Å; W443-F507 HydrophobicContact CZ3-CD2 4.27Å; W443-F507 AromaticContact CZ3-CE2 3.94Å; W443-F507 HydrophobicContact CZ3-CE2 3.94Å; W443-F507 HydrophobicContact CZ3-CZ 4.17Å; I505-F507 HydrophobicContact CG2-CD2 4.35Å; I505-F507 HydrophobicContact CG2-CE2 3.86Å; I505-F507 HydrophobicContact CG2-CZ 4.03Å; F507-E511 HydrophobicContact CB-CB 4.31Å; F507-E511 HydrophobicContact CD1-CB 4.15Å; F507-M512 HydrophobicContact CB-CG 3.76Å; F507-L515 HydrophobicContact CD1-CD1 3.71Å; F507-L515 HydrophobicContact CE1-CD1 3.64Å; F507-L515 HydrophobicContact CG-CD1 4.43Å; F507-L515 HydrophobicContact CZ-CD1 4.34Å; F507-F534 HydrophobicContact CD2-CE1 4.29Å; F507-F534 AromaticContact CD2-CE2 4Å; F507-F534 HydrophobicContact CD2-CE2 4Å; F507-F534 AromaticContact CD2-CZ 3.81Å; F507-F534 HydrophobicContact CD2-CZ 3.81Å; F507-F534 AromaticContact CE2-CD1 3.92Å; F507-F534 HydrophobicContact CE2-CD1 3.92Å; F507-F534 AromaticContact CE2-CD2 3.89Å; F507-F534 HydrophobicContact CE2-CD2 3.89Å; F507-F534 AromaticContact CE2-CE1 3.68Å; F507-F534 HydrophobicContact CE2-CE1 3.68Å; F507-F534 AromaticContact CE2-CE2 3.66Å; F507-F534 HydrophobicContact CE2-CE2 3.66Å; F507-F534 HydrophobicContact CE2-CG 4.03Å; F507-F534 AromaticContact CE2-CZ 3.55Å; F507-F534 HydrophobicContact CE2-CZ 3.55Å; F507-I616 HydrophobicContact CD1-CG2 4.33Å; F507-I616 HydrophobicContact CE1-CG2 3.69Å
508	S	89.7	Confident	89.2	Confident	55 Å²	55	62.5 Å²	62.5	39%	0.385	30%	0.302	S	S	.	.			trans	-64.1	159.7	171.3	67.8	0	0	0	0	110.4	Q510 E511 M512	S508-Q510 PolarHBondContact O-N 3.26Å; S508-E511 VanDerWaalsContact CB-OE2 3.32Å; S508-E511 WeakPolarHBondContact CB-OE2 3.4Å; S508-E511 PolarHBondContact N-OE2 3.33Å; S508-E511 PolarHBondContact O-N 3.21Å; S508-E511 VanDerWaalsContact O-N 3.08Å; S508-E511 VanDerWaalsContact OG-CG 3.26Å; S508-E511 WeakPolarHBondContact OG-CG 3.48Å; S508-E511 PolarHBondContact OG-N 3.34Å; S508-E511 PolarHBondContact OG-OE2 2.99Å; S508-M512 WeakPolarHBondContact O-CG 3.28Å; S508-M512 PolarHBondContact O-N 3.37Å
509	R	87.6	Confident	89.4	Confident	117 Å²	117	61.7 Å²	61.7	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-54.6	-38.2	177.1	-174.6	175.8	176.2	-88	1.8	112.8	E435 M512 E513	E435-R509 IonicContact OE1-NE 3.96Å; E435-R509 PolarHBondContact OE1-NE 3.42Å; E435-R509 VanDerWaalsContact OE1-NE 3.09Å; E435-R509 IonicContact OE2-CZ 2.82Å; E435-R509 IonicContact OE2-NE 3.95Å; E435-R509 PolarHBondContact OE2-NE 3.23Å; E435-R509 VanDerWaalsContact OE2-NE 3.07Å; E435-R509 IonicContact OE2-NH2 3.23Å; E435-R509 PolarHBondContact OE2-NH2 2.91Å; R509-M512 HydrophobicContact CB-CE 4.44Å; R509-E513 PolarHBondContact O-N 2.91Å; R509-E513 VanDerWaalsContact O-N 3.07Å
510	Q	87.8	Confident	89.6	Confident	156 Å²	156	68 Å²	68	73%	0.729	33%	0.325	S	S	*	.	H	α-helix	trans	-67.4	-41.7	178	-67	178.7	-4.4	0	0	111.8	S508 E513 M514	S508-Q510 PolarHBondContact O-N 3.26Å; Q510-E513 PolarHBondContact O-N 3.41Å; Q510-M514 WeakPolarHBondContact O-CB 3.38Å; Q510-M514 PolarHBondContact O-N 3.27Å
511	E	89.4	Confident	89.7	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.075	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-39.8	176.4	-69	165.7	122.1	0	0	112	F507 S508 M514 L515 I616 R620	F507-E511 HydrophobicContact CB-CB 4.31Å; F507-E511 HydrophobicContact CD1-CB 4.15Å; S508-E511 VanDerWaalsContact CB-OE2 3.32Å; S508-E511 WeakPolarHBondContact CB-OE2 3.4Å; S508-E511 PolarHBondContact N-OE2 3.33Å; S508-E511 PolarHBondContact O-N 3.21Å; S508-E511 VanDerWaalsContact O-N 3.08Å; S508-E511 VanDerWaalsContact OG-CG 3.26Å; S508-E511 WeakPolarHBondContact OG-CG 3.48Å; S508-E511 PolarHBondContact OG-N 3.34Å; S508-E511 PolarHBondContact OG-OE2 2.99Å; E511-M514 PolarHBondContact O-N 3.41Å; E511-L515 WeakPolarHBondContact O-CB 3.44Å; E511-L515 WeakPolarHBondContact O-CG 3.44Å; E511-L515 PolarHBondContact O-N 3.04Å; E511-I616 HydrophobicContact CB-CD1 4.44Å; E511-I616 HydrophobicContact CG-CG1 4.31Å; E511-R620 IonicContact OE1-CZ 3.75Å; E511-R620 IonicContact OE1-NH1 3.48Å; E511-R620 PolarHBondContact OE1-NH1 3.25Å; E511-R620 IonicContact OE1-NH2 3.28Å; E511-R620 PolarHBondContact OE1-NH2 3.06Å; E511-R620 IonicContact OE2-CZ 3.65Å; E511-R620 IonicContact OE2-NH2 3.31Å; E511-R620 PolarHBondContact OE2-NH2 2.7Å
512	M	90	Very high	89.8	Confident	23 Å²	23	68.4 Å²	68.4	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-41.5	175.7	-66.8	-169.6	-76.7	0	0	112.1	I438 M441 W443 F507 S508 R509 L515 N516	I438-M512 HydrophobicContact CG2-CB 3.85Å; I438-M512 HydrophobicContact CG2-CE 4.35Å; M441-M512 HydrophobicContact CE-SD 3.39Å; M441-M512 WeakPolarHBondContact CE-SD 3.47Å; M441-M512 HydrophobicContact CG-SD 4.19Å; W443-M512 HydrophobicContact CZ2-CG 4.18Å; F507-M512 HydrophobicContact CB-CG 3.76Å; S508-M512 WeakPolarHBondContact O-CG 3.28Å; S508-M512 PolarHBondContact O-N 3.37Å; R509-M512 HydrophobicContact CB-CE 4.44Å; M512-L515 PolarHBondContact O-N 2.88Å; M512-N516 WeakPolarHBondContact O-CB 3.33Å; M512-N516 PolarHBondContact O-N 3.01Å
513	E	88.2	Confident	90.1	Very high	56 Å²	56	63.3 Å²	63.3	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-42.3	175.8	-172.8	167	-156.8	0	0	111.2	K434 R509 Q510 N516 Q517	K434-E513 IonicContact NZ-OE1 3.79Å; R509-E513 PolarHBondContact O-N 2.91Å; R509-E513 VanDerWaalsContact O-N 3.07Å; Q510-E513 PolarHBondContact O-N 3.41Å; E513-N516 PolarHBondContact O-N 2.62Å; E513-Q517 WeakPolarHBondContact O-CG 3.23Å; E513-Q517 PolarHBondContact O-N 3.05Å
514	M	88.7	Confident	90.3	Very high	58 Å²	58	60.3 Å²	60.3	29%	0.286	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-44.5	175.7	-175.7	-175.7	174.1	0	0	112.6	Q510 E511 Q517 L518 I587 G612	Q510-M514 WeakPolarHBondContact O-CB 3.38Å; Q510-M514 PolarHBondContact O-N 3.27Å; E511-M514 PolarHBondContact O-N 3.41Å; M514-Q517 WeakPolarHBondContact O-CB 3.47Å; M514-Q517 PolarHBondContact O-N 2.95Å; M514-L518 PolarHBondContact O-N 2.78Å; M514-I587 HydrophobicContact CE-CG1 4.46Å; M514-I587 HydrophobicContact CE-CG2 4.31Å; M514-G612 VanDerWaalsContact CE-CA 3.44Å; M514-G612 WeakPolarHBondContact CE-O 3.13Å
515	L	91.9	Very high	90.5	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-35.4	177.9	-73.2	172.5	0	0	0	112.2	W443 F507 E511 M512 L518 K519 F529 I532 I616	W443-L515 HydrophobicContact CD2-CB 3.9Å; W443-L515 HydrophobicContact CD2-CD1 3.96Å; W443-L515 HydrophobicContact CE3-CD1 4Å; W443-L515 HydrophobicContact CG-CB 3.89Å; W443-L515 HydrophobicContact CH2-CD1 3.76Å; W443-L515 HydrophobicContact CZ2-CB 4.37Å; W443-L515 HydrophobicContact CZ2-CD1 3.71Å; W443-L515 HydrophobicContact CZ3-CD1 3.89Å; F507-L515 HydrophobicContact CD1-CD1 3.71Å; F507-L515 HydrophobicContact CE1-CD1 3.64Å; F507-L515 HydrophobicContact CG-CD1 4.43Å; F507-L515 HydrophobicContact CZ-CD1 4.34Å; E511-L515 WeakPolarHBondContact O-CB 3.44Å; E511-L515 WeakPolarHBondContact O-CG 3.44Å; E511-L515 PolarHBondContact O-N 3.04Å; M512-L515 PolarHBondContact O-N 2.88Å; L515-L518 PolarHBondContact O-N 2.8Å; L515-K519 WeakPolarHBondContact O-CB 3.37Å; L515-K519 PolarHBondContact O-N 2.91Å; L515-F529 HydrophobicContact CD2-CE1 4.27Å; L515-F529 HydrophobicContact CD2-CZ 4.31Å; L515-I532 HydrophobicContact CD1-CD1 4.18Å; L515-I532 HydrophobicContact CD2-CD1 3.79Å; L515-I616 HydrophobicContact CD1-CD1 4.12Å; L515-I616 HydrophobicContact CD2-CD1 3.84Å; L515-I616 HydrophobicContact CG-CD1 3.86Å
516	N	89.9	Confident	90.7	Very high	18 Å²	18	57.3 Å²	57.3	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-44.8	171.4	-80.7	-2.3	0	0	0	111.3	L437 P442 W443 M512 E513 L518 K519 Y520	L437-N516 PolarHBondContact O-ND2 2.85Å; P442-N516 VanDerWaalsContact CD-OD1 3.27Å; P442-N516 WeakPolarHBondContact CD-OD1 3.38Å; P442-N516 WeakPolarHBondContact CG-OD1 3.23Å; W443-N516 PolarHBondContact NE1-OD1 3.46Å; M512-N516 WeakPolarHBondContact O-CB 3.33Å; M512-N516 PolarHBondContact O-N 3.01Å; E513-N516 PolarHBondContact O-N 2.62Å; N516-L518 VanDerWaalsContact C-N 3.34Å; N516-L518 PolarHBondContact O-N 3.27Å; N516-K519 PolarHBondContact O-N 3.19Å; N516-Y520 WeakPolarHBondContact O-CD2 3.41Å; N516-Y520 PolarHBondContact O-N 2.01Å
517	Q	89.1	Confident	90.9	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-45.6	175.8	-70.7	165.7	-4.9	0	0	111	E513 M514 K519 Y520 M521 S586	E513-Q517 WeakPolarHBondContact O-CG 3.23Å; E513-Q517 PolarHBondContact O-N 3.05Å; M514-Q517 WeakPolarHBondContact O-CB 3.47Å; M514-Q517 PolarHBondContact O-N 2.95Å; Q517-K519 VanDerWaalsContact C-N 3.32Å; Q517-K519 PolarHBondContact O-N 3.12Å; Q517-Y520 PolarHBondContact O-N 3.07Å; Q517-M521 WeakPolarHBondContact O-CG 3.1Å; Q517-M521 PolarHBondContact O-N 2.74Å; Q517-M521 VanDerWaalsContact O-N 3.14Å; Q517-S586 PolarHBondContact OE1-OG 3.33Å
518	L	92	Very high	91.1	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-40.6	177.6	-176.5	62.9	0	0	0	112.5	M514 L515 N516 Y520 M521 F529 W544 I587 F611 I613	M514-L518 PolarHBondContact O-N 2.78Å; L515-L518 PolarHBondContact O-N 2.8Å; N516-L518 VanDerWaalsContact C-N 3.34Å; N516-L518 PolarHBondContact O-N 3.27Å; L518-Y520 VanDerWaalsContact C-N 3.28Å; L518-Y520 PolarHBondContact O-N 3.08Å; L518-M521 HydrophobicContact CD1-SD 4.47Å; L518-M521 PolarHBondContact O-N 3.14Å; L518-F529 HydrophobicContact CB-CD1 4.19Å; L518-F529 HydrophobicContact CD1-CB 4.31Å; L518-F529 HydrophobicContact CD2-CB 4.2Å; L518-F529 HydrophobicContact CD2-CD1 3.77Å; L518-F529 HydrophobicContact CD2-CD2 4.18Å; L518-F529 HydrophobicContact CD2-CE1 4.1Å; L518-F529 HydrophobicContact CD2-CG 3.78Å; L518-F529 HydrophobicContact CD2-CZ 4.45Å; L518-F529 HydrophobicContact CG-CB 3.75Å; L518-F529 HydrophobicContact CG-CD1 3.68Å; L518-F529 HydrophobicContact CG-CE1 4.41Å; L518-F529 HydrophobicContact CG-CG 3.78Å; L518-W544 HydrophobicContact CD1-CH2 4.01Å; L518-W544 HydrophobicContact CD1-CZ3 4.49Å; L518-W544 HydrophobicContact CD2-CH2 4.26Å; L518-I587 HydrophobicContact CB-CD1 4.37Å; L518-I587 HydrophobicContact CD1-CD1 3.73Å; L518-F611 HydrophobicContact CD1-CD2 3.84Å; L518-F611 HydrophobicContact CD1-CE2 3.23Å; L518-F611 HydrophobicContact CD1-CZ 3.63Å; L518-I613 HydrophobicContact CD2-CD1 3.79Å; L518-I613 HydrophobicContact CD2-CG1 3.49Å; L518-I613 VanDerWaalsContact CD2-CG1 3.49Å
519	K	91.6	Very high	91.3	Very high	64 Å²	64	51.3 Å²	51.3	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-32.7	178.2	177.6	59	176.9	176.5	0	113.6	W443 L515 N516 Q517 F529 T530	W443-K519 HydrophobicContact CB-CB 4.18Å; W443-K519 HydrophobicContact CB-CD 4.42Å; W443-K519 HydrophobicContact CB-CG 4.33Å; L515-K519 WeakPolarHBondContact O-CB 3.37Å; L515-K519 PolarHBondContact O-N 2.91Å; N516-K519 PolarHBondContact O-N 3.19Å; Q517-K519 VanDerWaalsContact C-N 3.32Å; Q517-K519 PolarHBondContact O-N 3.12Å; K519-F529 HydrophobicContact CB-CD1 4.35Å; K519-F529 WeakPolarHBondContact CD-O 3.49Å; K519-T530 PolarHBondContact NZ-O 3.42Å
520	Y	90.3	Very high	91.6	Very high	165 Å²	165	46.6 Å²	46.6	65%	0.647	24%	0.235	S	C	*	.	H	α-helix	trans	-102.3	2.1	-177.3	-64.6	-65.5	0	0	0	113.9	P442 N516 Q517 L518 S522	P442-Y520 HydrophobicContact CG-CE2 4.11Å; N516-Y520 WeakPolarHBondContact O-CD2 3.41Å; N516-Y520 PolarHBondContact O-N 2.01Å; Q517-Y520 PolarHBondContact O-N 3.07Å; L518-Y520 VanDerWaalsContact C-N 3.28Å; L518-Y520 PolarHBondContact O-N 3.08Å; Y520-S522 PolarHBondContact O-N 3.42Å
521	M	91.2	Very high	91.8	Very high	17 Å²	17	39.1 Å²	39.1	8%	0.084	20%	0.2	C	C	.	.			trans	-66.6	128.4	174.4	-82.6	-179.8	74.7	0	0	110.9	Q517 L518 Y581 I582 I587 F611	Q517-M521 WeakPolarHBondContact O-CG 3.1Å; Q517-M521 PolarHBondContact O-N 2.74Å; Q517-M521 VanDerWaalsContact O-N 3.14Å; L518-M521 HydrophobicContact CD1-SD 4.47Å; L518-M521 PolarHBondContact O-N 3.14Å; M521-Y581 HydrophobicContact CB-CE1 4.28Å; M521-Y581 HydrophobicContact CE-CD1 3.63Å; M521-Y581 HydrophobicContact CE-CE1 3.35Å; M521-Y581 HydrophobicContact CG-CE1 4.29Å; M521-I582 HydrophobicContact CE-CG1 4.38Å; M521-I587 HydrophobicContact CE-CD1 4.43Å; M521-I587 HydrophobicContact SD-CD1 3.45Å; M521-I587 WeakPolarHBondContact SD-CD1 3.36Å; M521-I587 HydrophobicContact SD-CG1 4.2Å; M521-F611 HydrophobicContact CE-CE2 3.86Å; M521-F611 HydrophobicContact CE-CZ 4.33Å; M521-F611 HydrophobicContact SD-CE2 3.9Å
522	S	90.6	Very high	92	Very high	94 Å²	94	38.5 Å²	38.5	66%	0.657	20%	0.197	S	C	*	.			trans	-139.7	121.6	-178.7	-178	0	0	0	0	110.6	Y520 Y581	Y520-S522 PolarHBondContact O-N 3.42Å; S522-Y581 PolarHBondContact N-OH 3.17Å; S522-Y581 PolarHBondContact O-OH 3.22Å
523	H	93.7	Very high	92.2	Very high	57 Å²	57	37.5 Å²	37.5	26%	0.264	19%	0.193	S	C	.	.			trans	-162.9	148.9	177.3	-179.6	-95.5	0	0	0	109.9	N525 I526 Y581	H523-N525 PolarHBondContact CE1-OD1 2.86Å; H523-N525 PolarHBondContact ND1-N 3.47Å; H523-N525 VanDerWaalsContact ND1-N 3.12Å; H523-N525 PolarHBondContact O-N 2.8Å; H523-N525 VanDerWaalsContact O-N 3.07Å; H523-I526 HydrophobicContact CB-CB 4.07Å; H523-I526 HydrophobicContact CB-CG1 3.74Å; H523-I526 PolarHBondContact O-N 2.87Å; H523-Y581 HydrophobicContact CB-CD1 3.78Å; H523-Y581 HydrophobicContact CB-CD2 3.86Å; H523-Y581 HydrophobicContact CB-CE1 3.83Å; H523-Y581 HydrophobicContact CB-CE2 3.94Å; H523-Y581 HydrophobicContact CB-CG 3.78Å; H523-Y581 AromaticContact CD2-CD2 3.61Å; H523-Y581 AromaticContact CD2-CG 3.94Å; H523-Y581 AromaticContact CG-CD2 3.83Å; H523-Y581 AromaticContact CG-CG 3.76Å
524	T	93.1	Very high	92.4	Very high	96 Å²	96	35.2 Å²	35.2	59%	0.589	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.6	-176.2	-50	0	0	0	0	113.7	V605 K607	T524-V605 HydrophobicContact CG2-CG1 4.1Å; T524-V605 WeakPolarHBondContact O-CG1 3.45Å; T524-K607 WeakPolarHBondContact O-CE 3.4Å
525	N	94.9	Very high	92.5	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.8	-179.2	-53.3	111.6	0	0	0	114.4	H523 H574 H577 V606 K607 L608	H523-N525 PolarHBondContact CE1-OD1 2.86Å; H523-N525 PolarHBondContact ND1-N 3.47Å; H523-N525 VanDerWaalsContact ND1-N 3.12Å; H523-N525 PolarHBondContact O-N 2.8Å; H523-N525 VanDerWaalsContact O-N 3.07Å; N525-H574 VanDerWaalsContact CB-O 3.23Å; N525-H574 WeakPolarHBondContact CB-O 3.44Å; N525-H574 WeakPolarHBondContact ND2-CA 3.4Å; N525-H574 WeakPolarHBondContact ND2-CB 3.34Å; N525-H574 PolarHBondContact ND2-CD2 3.18Å; N525-H574 VanDerWaalsContact ND2-CD2 3.26Å; N525-H577 WeakPolarHBondContact OD1-CB 3.38Å; N525-V606 WeakPolarHBondContact CA-O 3.41Å; N525-V606 PolarHBondContact ND2-O 2.85Å; N525-K607 WeakPolarHBondContact O-CA 3.47Å; N525-L608 PolarHBondContact O-N 3.39Å
526	I	95.1	Very high	92.2	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-119.3	131.3	175	-64.3	-62.4	0	0	0	108.6	H523 P528 Y581 I582 L608 F611	H523-I526 HydrophobicContact CB-CB 4.07Å; H523-I526 HydrophobicContact CB-CG1 3.74Å; H523-I526 PolarHBondContact O-N 2.87Å; I526-P528 WeakPolarHBondContact O-CD 3.47Å; I526-Y581 HydrophobicContact CD1-CD1 4.26Å; I526-Y581 HydrophobicContact CG1-CD1 3.66Å; I526-Y581 HydrophobicContact CG1-CE1 4.22Å; I526-Y581 HydrophobicContact CG1-CG 4.43Å; I526-I582 HydrophobicContact CD1-CD1 3.73Å; I526-I582 HydrophobicContact CD1-CG1 3.68Å; I526-L608 HydrophobicContact CD1-CB 4.23Å; I526-F611 HydrophobicContact CD1-CE1 4.31Å; I526-F611 HydrophobicContact CD1-CZ 4.38Å; I526-F611 HydrophobicContact CG2-CE1 3.74Å; I526-F611 HydrophobicContact CG2-CZ 3.49Å; I526-F611 VanDerWaalsContact CG2-CZ 3.49Å
527	N	94.3	Very high	91.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.011	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-79.2	121.9	174.2	-163.7	29.9	0	0	0	108.3	F529 W544 Q545 V599 K607 L608 T609	N527-F529 PolarHBondContact O-N 2.9Å; N527-W544 HydrophobicContact CB-CE3 4.4Å; N527-W544 VanDerWaalsContact O-CE3 3.24Å; N527-W544 VanDerWaalsContact O-CZ3 3.23Å; N527-W544 WeakPolarHBondContact O-CZ3 2.91Å; N527-Q545 PolarHBondContact ND2-O 3.08Å; N527-Q545 PolarHBondContact OD1-O 3.06Å; N527-V599 HydrophobicContact CB-CG2 4.11Å; N527-K607 HydrophobicContact CB-CB 4.05Å; N527-L608 WeakPolarHBondContact CB-O 3.23Å; N527-L608 PolarHBondContact N-O 2.87Å; N527-T609 PolarHBondContact ND2-OG1 2.87Å
528	P	94.1	Very high	91.7	Very high	45 Å²	45	41.1 Å²	41.1	29%	0.292	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-61.7	135.1	-178.7	-29.2	39.8	0	0	0	112.8	I526 Q545	I526-P528 WeakPolarHBondContact O-CD 3.47Å; P528-Q545 HydrophobicContact CB-CB 4.37Å; P528-Q545 PolarHBondContact O-N 2.64Å
529	F	94.4	Very high	91.5	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.022	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.2	175.1	172.9	-117.2	0	0	0	110.2	W443 L515 L518 K519 N527 G531 I532 V542 M543 W544 I613	W443-F529 HydrophobicContact CB-CE1 3.84Å; L515-F529 HydrophobicContact CD2-CE1 4.27Å; L515-F529 HydrophobicContact CD2-CZ 4.31Å; L518-F529 HydrophobicContact CB-CD1 4.19Å; L518-F529 HydrophobicContact CD1-CB 4.31Å; L518-F529 HydrophobicContact CD2-CB 4.2Å; L518-F529 HydrophobicContact CD2-CD1 3.77Å; L518-F529 HydrophobicContact CD2-CD2 4.18Å; L518-F529 HydrophobicContact CD2-CE1 4.1Å; L518-F529 HydrophobicContact CD2-CG 3.78Å; L518-F529 HydrophobicContact CD2-CZ 4.45Å; L518-F529 HydrophobicContact CG-CB 3.75Å; L518-F529 HydrophobicContact CG-CD1 3.68Å; L518-F529 HydrophobicContact CG-CE1 4.41Å; L518-F529 HydrophobicContact CG-CG 3.78Å; K519-F529 HydrophobicContact CB-CD1 4.35Å; K519-F529 WeakPolarHBondContact CD-O 3.49Å; N527-F529 PolarHBondContact O-N 2.9Å; F529-G531 WeakPolarHBondContact CE2-O 3.13Å; F529-G531 VanDerWaalsContact CZ-C 3.47Å; F529-G531 VanDerWaalsContact CZ-CA 3.47Å; F529-I532 HydrophobicContact CE2-CD1 4.46Å; F529-I532 HydrophobicContact CE2-CG1 4.12Å; F529-I532 HydrophobicContact CZ-CD1 3.77Å; F529-I532 HydrophobicContact CZ-CG1 3.72Å; F529-V542 HydrophobicContact CE2-CG1 4.12Å; F529-M543 WeakPolarHBondContact CD2-O 3.25Å; F529-W544 HydrophobicContact CB-CD2 4.46Å; F529-W544 HydrophobicContact CB-CE3 3.94Å; F529-W544 HydrophobicContact CB-CH2 4.19Å; F529-W544 HydrophobicContact CB-CZ3 3.79Å; F529-W544 HydrophobicContact CD2-CD2 4.15Å; F529-W544 AromaticContact CD2-CE2 3.99Å; F529-W544 HydrophobicContact CD2-CE3 4.45Å; F529-W544 HydrophobicContact CD2-CH2 4.47Å; F529-W544 HydrophobicContact CD2-CZ2 4.14Å; F529-I613 HydrophobicContact CD2-CD1 3.6Å; F529-I613 HydrophobicContact CE2-CD1 3.22Å; F529-I613 HydrophobicContact CE2-CG1 4.44Å; F529-I613 HydrophobicContact CZ-CD1 3.84Å
530	T	92.8	Very high	91.4	Very high	17 Å²	17	41 Å²	41	10%	0.104	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-43.7	-177.8	-54	0	0	0	0	111.1	V489 V494 K519 M543	V489-T530 HydrophobicContact CG1-CG2 4.49Å; V494-T530 HydrophobicContact CG1-CG2 3.94Å; V494-T530 WeakPolarHBondContact CG1-OG1 3.01Å; K519-T530 PolarHBondContact NZ-O 3.42Å; T530-M543 HydrophobicContact CG2-CB 4.49Å; T530-M543 PolarHBondContact N-O 2.94Å
531	G	93	Very high	91.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-173.8	-179.1	0	0	0	0	0	114.7	W443 F529 M543	W443-G531 CarbonylContact O-C 3.58Å; W443-G531 WeakPolarHBondContact O-CA 3.35Å; F529-G531 WeakPolarHBondContact CE2-O 3.13Å; F529-G531 VanDerWaalsContact CZ-C 3.47Å; F529-G531 VanDerWaalsContact CZ-CA 3.47Å; G531-M543 PolarHBondContact N-O 2.84Å; G531-M543 PolarHBondContact O-N 3.28Å
532	I	94.1	Very high	91.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.9	175.5	-66.4	150.7	0	0	0	109.2	W443 V445 L515 F529 F534 L540 I541 V542	W443-I532 HydrophobicContact CE3-CB 4.26Å; W443-I532 HydrophobicContact CE3-CD1 4.46Å; W443-I532 HydrophobicContact CZ3-CB 4.4Å; W443-I532 PolarHBondContact O-N 3Å; V445-I532 PolarHBondContact N-O 2.89Å; V445-I532 VanDerWaalsContact N-O 3.1Å; L515-I532 HydrophobicContact CD1-CD1 4.18Å; L515-I532 HydrophobicContact CD2-CD1 3.79Å; F529-I532 HydrophobicContact CE2-CD1 4.46Å; F529-I532 HydrophobicContact CE2-CG1 4.12Å; F529-I532 HydrophobicContact CZ-CD1 3.77Å; F529-I532 HydrophobicContact CZ-CG1 3.72Å; I532-F534 HydrophobicContact CG2-CB 4.25Å; I532-F534 HydrophobicContact CG2-CD1 4.04Å; I532-L540 HydrophobicContact CG2-CD1 4.11Å; I532-L540 HydrophobicContact CG2-CD2 4.33Å; I532-L540 HydrophobicContact CG2-CG 3.95Å; I532-I541 CarbonylContact C-O 3.55Å; I532-I541 VanDerWaalsContact CA-O 3.26Å; I532-I541 WeakPolarHBondContact CA-O 3.35Å; I532-V542 HydrophobicContact CG1-CG2 4.34Å
533	C	93.4	Very high	91.7	Very high	2 Å²	2	28 Å²	28	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.7	163.6	172.5	0	0	0	0	108.7	V445 I450 L540 I541 M543	V445-C533 WeakPolarHBondContact O-CA 2.94Å; V445-C533 VanDerWaalsContact O-CB 3.29Å; V445-C533 WeakPolarHBondContact O-CB 3.37Å; I450-C533 HydrophobicContact CD1-CB 3.8Å; C533-L540 CarbonylContact O-C 3.42Å; C533-L540 WeakPolarHBondContact O-CA 3.14Å; C533-I541 HydrophobicContact CB-CB 4.13Å; C533-I541 PolarHBondContact N-O 3.18Å; C533-I541 PolarHBondContact O-N 2.97Å; C533-M543 HydrophobicContact CB-CE 4.16Å
534	F	92.7	Very high	91.7	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.035	16%	0.157	C	C	.	.			trans	-154.1	158.4	-177.1	69.7	-77.5	0	0	0	110.1	W443 R444 I505 F507 I532 Q536 L540	W443-F534 AromaticContact CH2-CE1 3.98Å; W443-F534 HydrophobicContact CH2-CE1 3.98Å; W443-F534 HydrophobicContact CH2-CZ 4.31Å; W443-F534 HydrophobicContact CZ3-CD1 4.28Å; W443-F534 AromaticContact CZ3-CE1 3.62Å; W443-F534 HydrophobicContact CZ3-CE1 3.62Å; W443-F534 HydrophobicContact CZ3-CZ 4.38Å; R444-F534 HydrophobicContact CB-CE1 4.49Å; R444-F534 HydrophobicContact CG-CE1 3.85Å; I505-F534 HydrophobicContact CB-CD2 4.18Å; I505-F534 HydrophobicContact CG2-CD2 4.48Å; I505-F534 WeakPolarHBondContact O-CE2 3.29Å; F507-F534 HydrophobicContact CD2-CE1 4.29Å; F507-F534 AromaticContact CD2-CE2 4Å; F507-F534 HydrophobicContact CD2-CE2 4Å; F507-F534 AromaticContact CD2-CZ 3.81Å; F507-F534 HydrophobicContact CD2-CZ 3.81Å; F507-F534 AromaticContact CE2-CD1 3.92Å; F507-F534 HydrophobicContact CE2-CD1 3.92Å; F507-F534 AromaticContact CE2-CD2 3.89Å; F507-F534 HydrophobicContact CE2-CD2 3.89Å; F507-F534 AromaticContact CE2-CE1 3.68Å; F507-F534 HydrophobicContact CE2-CE1 3.68Å; F507-F534 AromaticContact CE2-CE2 3.66Å; F507-F534 HydrophobicContact CE2-CE2 3.66Å; F507-F534 HydrophobicContact CE2-CG 4.03Å; F507-F534 AromaticContact CE2-CZ 3.55Å; F507-F534 HydrophobicContact CE2-CZ 3.55Å; I532-F534 HydrophobicContact CG2-CB 4.25Å; I532-F534 HydrophobicContact CG2-CD1 4.04Å; F534-Q536 PolarHBondContact O-N 2.91Å; F534-Q536 VanDerWaalsContact O-N 3.16Å; F534-L540 HydrophobicContact CB-CD1 4.08Å; F534-L540 HydrophobicContact CB-CG 4.33Å
535	N	91.1	Very high	91.6	Very high	61 Å²	61	25 Å²	25	33%	0.326	15%	0.147	S	C	.	.	S	Bend	trans	57.3	20.3	-178.5	-59.4	-13.2	0	0	0	115.1	Q501 A504 I505	Q501-N535 PolarHBondContact NE2-OD1 2.64Å; A504-N535 WeakPolarHBondContact CA-OD1 3.27Å; I505-N535 PolarHBondContact N-OD1 3.09Å; I505-N535 PolarHBondContact O-ND2 3.24Å
536	Q	85.9	Confident	91.5	Very high	75 Å²	75	26.4 Å²	26.4	35%	0.35	15%	0.153	S	C	.	.	S	Bend	trans	-123.9	22.9	178.3	-65.1	-176.5	7.6	0	0	112.2	P446 L447 F534	P446-Q536 VanDerWaalsContact CA-OE1 3.28Å; L447-Q536 HydrophobicContact CB-CB 4.1Å; L447-Q536 WeakPolarHBondContact CD2-O 3.07Å; F534-Q536 PolarHBondContact O-N 2.91Å; F534-Q536 VanDerWaalsContact O-N 3.16Å
537	G	82.2	Confident	91.2	Very high	51 Å²	51	26.7 Å²	26.7	53%	0.526	16%	0.155	S	C	.	.	S	Bend	trans	168.4	-168.6	-177.4	0	0	0	0	0	110	E539	G537-E539 PolarHBondContact O-N 2.45Å
538	S	84.8	Confident	90.7	Very high	85 Å²	85	30 Å²	30	59%	0.594	18%	0.176	S	C	*	.	S	Bend	trans	-85.3	11.5	174.4	56.2	0	0	0	0	113.6	Q501	Q501-S538 PolarHBondContact N-O 3.36Å
539	E	87.7	Confident	90.2	Very high	61 Å²	61	31.3 Å²	31.3	29%	0.285	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.2	-172.8	-57.9	-172	144	0	0	111.2	R498 H499 G537 I541	R498-E539 WeakPolarHBondContact CD-OE2 3.35Å; R498-E539 IonicContact CZ-OE2 3.74Å; R498-E539 IonicContact NE-OE2 2.85Å; R498-E539 IonicContact NH1-OE2 3.92Å; R498-E539 PolarHBondContact NH1-OE2 3.04Å; H499-E539 CarbonylContact O-C 3.46Å; H499-E539 VanDerWaalsContact O-CA 3.31Å; H499-E539 WeakPolarHBondContact O-CA 3.17Å; G537-E539 PolarHBondContact O-N 2.45Å; E539-I541 HydrophobicContact CB-CG1 4.24Å
540	L	90.8	Very high	89.8	Confident	4 Å²	4	35 Å²	35	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.4	160.8	176.1	147.4	0	0	0	108	R498 H499 I505 I532 C533 F534 V542 L617 L626	R498-L540 CarbonylContact C-O 3.55Å; H499-L540 HydrophobicContact CB-CB 4.37Å; H499-L540 HydrophobicContact CB-CD2 4.33Å; H499-L540 PolarHBondContact N-O 3.32Å; H499-L540 PolarHBondContact O-N 3.09Å; I505-L540 HydrophobicContact CD1-CB 4.44Å; I505-L540 HydrophobicContact CD1-CD1 3.43Å; I505-L540 VanDerWaalsContact CD1-CD1 3.43Å; I532-L540 HydrophobicContact CG2-CD1 4.11Å; I532-L540 HydrophobicContact CG2-CD2 4.33Å; I532-L540 HydrophobicContact CG2-CG 3.95Å; C533-L540 CarbonylContact O-C 3.42Å; C533-L540 WeakPolarHBondContact O-CA 3.14Å; F534-L540 HydrophobicContact CB-CD1 4.08Å; F534-L540 HydrophobicContact CB-CG 4.33Å; L540-V542 HydrophobicContact CD2-CG2 3.61Å; L540-L617 HydrophobicContact CD2-CD2 3.74Å; L540-L626 HydrophobicContact CB-CD2 3.83Å; L540-L626 HydrophobicContact CD1-CD2 4.31Å
541	I	91.9	Very high	89.7	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115	-173	-52.2	-173.1	0	0	0	108.6	L447 F452 V496 K497 R498 I532 C533 E539 M543	L447-I541 HydrophobicContact CD1-CD1 4.13Å; F452-I541 HydrophobicContact CZ-CD1 3.95Å; V496-I541 HydrophobicContact CB-CG2 4.49Å; V496-I541 HydrophobicContact CG1-CG2 3.24Å; K497-I541 WeakPolarHBondContact O-CA 3.48Å; R498-I541 HydrophobicContact CG-CG1 4.49Å; I532-I541 CarbonylContact C-O 3.55Å; I532-I541 VanDerWaalsContact CA-O 3.26Å; I532-I541 WeakPolarHBondContact CA-O 3.35Å; C533-I541 HydrophobicContact CB-CB 4.13Å; C533-I541 PolarHBondContact N-O 3.18Å; C533-I541 PolarHBondContact O-N 2.97Å; E539-I541 HydrophobicContact CB-CG1 4.24Å; I541-M543 HydrophobicContact CG2-CG 4.09Å; I541-M543 HydrophobicContact CG2-SD 4.48Å
542	V	92.2	Very high	89.5	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.8	174.9	-174.4	0	0	0	0	109.1	K497 F529 I532 L540 I613 L617	K497-V542 HydrophobicContact CB-CB 4.46Å; K497-V542 PolarHBondContact N-O 2.88Å; K497-V542 PolarHBondContact O-N 3.46Å; F529-V542 HydrophobicContact CE2-CG1 4.12Å; I532-V542 HydrophobicContact CG1-CG2 4.34Å; L540-V542 HydrophobicContact CD2-CG2 3.61Å; V542-I613 HydrophobicContact CG1-CD1 3.5Å; V542-I613 HydrophobicContact CG1-CG2 4.32Å; V542-I613 HydrophobicContact CG2-CG2 4.34Å; V542-L617 HydrophobicContact CG2-CD2 4.39Å
543	M	93.2	Very high	89.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.5	-173.8	-67	166.7	-76.4	0	0	112.1	V445 I450 V489 V494 S495 V496 F529 T530 G531 C533 I541	V445-M543 HydrophobicContact CB-CE 3.57Å; V445-M543 HydrophobicContact CG1-CE 3.88Å; V445-M543 HydrophobicContact CG1-SD 4.4Å; V445-M543 HydrophobicContact CG2-CE 3.8Å; I450-M543 HydrophobicContact CD1-CE 3.97Å; I450-M543 HydrophobicContact CD1-SD 3.74Å; I450-M543 HydrophobicContact CG1-SD 4.25Å; V489-M543 HydrophobicContact CG2-SD 3.77Å; V494-M543 HydrophobicContact CB-CB 4.42Å; V494-M543 HydrophobicContact CG2-CB 4.4Å; V494-M543 HydrophobicContact CG2-CG 4.21Å; V494-M543 HydrophobicContact CG2-SD 4.39Å; S495-M543 WeakPolarHBondContact O-CA 3.14Å; V496-M543 HydrophobicContact CG2-CG 4.27Å; F529-M543 WeakPolarHBondContact CD2-O 3.25Å; T530-M543 HydrophobicContact CG2-CB 4.49Å; T530-M543 PolarHBondContact N-O 2.94Å; G531-M543 PolarHBondContact N-O 2.84Å; G531-M543 PolarHBondContact O-N 3.28Å; C533-M543 HydrophobicContact CB-CE 4.16Å; I541-M543 HydrophobicContact CG2-CG 4.09Å; I541-M543 HydrophobicContact CG2-SD 4.48Å
544	W	93.5	Very high	88.9	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	161.1	172.1	-63.9	86	0	0	0	109.8	V494 S495 L518 N527 F529 F546 T609 D610 F611 I613	V494-W544 CarbonylContact C-O 3.55Å; V494-W544 VanDerWaalsContact CA-O 3.28Å; V494-W544 WeakPolarHBondContact CA-O 3.23Å; V494-W544 WeakPolarHBondContact CB-O 3.16Å; S495-W544 PolarHBondContact N-O 2.95Å; S495-W544 PolarHBondContact O-N 3.28Å; L518-W544 HydrophobicContact CD1-CH2 4.01Å; L518-W544 HydrophobicContact CD1-CZ3 4.49Å; L518-W544 HydrophobicContact CD2-CH2 4.26Å; N527-W544 HydrophobicContact CB-CE3 4.4Å; N527-W544 VanDerWaalsContact O-CE3 3.24Å; N527-W544 VanDerWaalsContact O-CZ3 3.23Å; N527-W544 WeakPolarHBondContact O-CZ3 2.91Å; F529-W544 HydrophobicContact CB-CD2 4.46Å; F529-W544 HydrophobicContact CB-CE3 3.94Å; F529-W544 HydrophobicContact CB-CH2 4.19Å; F529-W544 HydrophobicContact CB-CZ3 3.79Å; F529-W544 HydrophobicContact CD2-CD2 4.15Å; F529-W544 AromaticContact CD2-CE2 3.99Å; F529-W544 HydrophobicContact CD2-CE3 4.45Å; F529-W544 HydrophobicContact CD2-CH2 4.47Å; F529-W544 HydrophobicContact CD2-CZ2 4.14Å; W544-F546 PolarHBondContact O-N 3.06Å; W544-T609 VanDerWaalsContact CD2-OG1 3.26Å; W544-D610 PolarHBondContact NE1-OD1 3.37Å; W544-F611 AromaticContact CH2-CD1 3.91Å; W544-F611 HydrophobicContact CH2-CD1 3.91Å; W544-F611 AromaticContact CH2-CE1 3.79Å; W544-F611 HydrophobicContact CH2-CE1 3.79Å; W544-F611 HydrophobicContact CH2-CG 4.41Å; W544-F611 HydrophobicContact CH2-CZ 4.22Å; W544-F611 HydrophobicContact CZ3-CD1 4.2Å; W544-F611 AromaticContact CZ3-CE1 3.67Å; W544-F611 HydrophobicContact CZ3-CE1 3.67Å; W544-F611 HydrophobicContact CZ3-CZ 4.13Å; W544-I613 HydrophobicContact CH2-CD1 4.48Å; W544-I613 HydrophobicContact CZ2-CD1 3.52Å; W544-I613 HydrophobicContact CZ2-CG1 4.2Å
545	Q	92.5	Very high	88.6	Confident	83 Å²	83	38.3 Å²	38.3	39%	0.388	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	138.2	175.9	-176.2	172	5.3	0	0	111.5	N527 P528	N527-Q545 PolarHBondContact ND2-O 3.08Å; N527-Q545 PolarHBondContact OD1-O 3.06Å; P528-Q545 HydrophobicContact CB-CB 4.37Å; P528-Q545 PolarHBondContact O-N 2.64Å
546	F	90.9	Very high	88.4	Confident	40 Å²	40	38.4 Å²	38.4	18%	0.175	21%	0.205	C	C	.	.			trans	-68.4	138.1	177.4	173	-111.6	0	0	0	111.6	H486 K493 W544 T548	H486-F546 AromaticContact CD2-CE2 3.78Å; H486-F546 AromaticContact CE1-CD2 3.24Å; H486-F546 WeakPolarHBondContact CE1-CD2 3.44Å; H486-F546 AromaticContact CE1-CE2 3.13Å; H486-F546 WeakPolarHBondContact CE1-CE2 3.44Å; H486-F546 AromaticContact CG-CD2 3.84Å; H486-F546 AromaticContact CG-CE2 3.91Å; H486-F546 AromaticContact ND1-CD2 3.21Å; H486-F546 WeakPolarHBondContact ND1-CD2 3.01Å; H486-F546 AromaticContact ND1-CE2 3.53Å; H486-F546 AromaticContact NE2-CD2 3.82Å; H486-F546 AromaticContact NE2-CE2 3.25Å; H486-F546 WeakPolarHBondContact NE2-CE2 3.28Å; K493-F546 HydrophobicContact CB-CB 3.99Å; K493-F546 HydrophobicContact CB-CD1 4.19Å; K493-F546 HydrophobicContact CB-CG 4.31Å; K493-F546 HydrophobicContact CD-CD1 3.6Å; K493-F546 HydrophobicContact CD-CE1 3.86Å; K493-F546 HydrophobicContact CD-CG 3.96Å; K493-F546 HydrophobicContact CD-CZ 4.45Å; K493-F546 HydrophobicContact CG-CB 3.84Å; K493-F546 HydrophobicContact CG-CD1 3.87Å; K493-F546 HydrophobicContact CG-CG 3.81Å; K493-F546 WeakPolarHBondContact O-CB 3.35Å; K493-F546 PolarHBondContact O-N 3.3Å; W544-F546 PolarHBondContact O-N 3.06Å; F546-T548 HydrophobicContact CE1-CG2 3.95Å
547	T	89.5	Confident	88.4	Confident	8 Å²	8	41 Å²	41	5%	0.049	22%	0.216	C	C	.	.			trans	-121.7	132.3	176.5	48.7	0	0	0	0	109.8	R549 V599 V600	T547-R549 PolarHBondContact O-N 3.43Å; T547-V599 HydrophobicContact CG2-CB 3.97Å; T547-V599 HydrophobicContact CG2-CG2 3.67Å; T547-V599 WeakPolarHBondContact OG1-CB 3.41Å; T547-V600 WeakPolarHBondContact CB-O 3.31Å
548	T	84.9	Confident	88	Confident	72 Å²	72	42.9 Å²	42.9	44%	0.442	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.2	-166.6	52.3	0	0	0	0	114.4	F546 S602	F546-T548 HydrophobicContact CE1-CG2 3.95Å; T548-S602 VanDerWaalsContact OG1-CA 3.3Å; T548-S602 WeakPolarHBondContact OG1-CA 3.2Å; T548-S602 PolarHBondContact OG1-N 2.86Å; T548-S602 VanDerWaalsContact OG1-N 3.1Å
549	R	83.6	Confident	87.8	Confident	73 Å²	73	44.1 Å²	44.1	28%	0.275	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.6	-175.7	-59.8	-173.5	-174.1	-87.4	-4.8	113.9	T547 L555 V600 D601 S602 W604	T547-R549 PolarHBondContact O-N 3.43Å; R549-L555 HydrophobicContact CB-CD1 4.46Å; R549-L555 HydrophobicContact CB-CD2 4.49Å; R549-L555 WeakPolarHBondContact O-CD2 3.42Å; R549-V600 HydrophobicContact CB-CB 3.96Å; R549-V600 HydrophobicContact CB-CG1 4.19Å; R549-V600 WeakPolarHBondContact CB-O 3.31Å; R549-V600 PolarHBondContact N-O 3.13Å; R549-V600 VanDerWaalsContact N-O 3.12Å; R549-D601 VanDerWaalsContact CD-O 3.25Å; R549-D601 WeakPolarHBondContact CD-O 3.33Å; R549-D601 PolarHBondContact NE-O 3.48Å; R549-S602 PolarHBondContact NE-O 3.49Å; R549-S602 PolarHBondContact NH2-O 3.46Å; R549-W604 VanDerWaalsContact CZ-NE1 3.3Å
550	Y	84.9	Confident	87.5	Confident	83 Å²	83	48.5 Å²	48.5	33%	0.325	23%	0.232	S	C	.	.			trans	64.1	-159.6	-176.3	-52.8	-85.7	0	0	0	112.9	H486 D554 V599 V600	H486-Y550 AromaticContact NE2-CE1 3.85Å; Y550-D554 WeakPolarHBondContact CB-OD2 3.41Å; Y550-V599 WeakPolarHBondContact O-CA 3.39Å; Y550-V600 PolarHBondContact O-N 3.09Å
551	S	90.3	Very high	86.9	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.042	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-82.5	160.4	-176.9	75	0	0	0	0	112.8	E553 D554 L555 L595 S596 C598	S551-E553 PolarHBondContact O-N 3.44Å; S551-E553 PolarHBondContact OG-N 3.24Å; S551-D554 WeakPolarHBondContact CB-OD2 3.39Å; S551-D554 PolarHBondContact N-OD2 3.2Å; S551-D554 WeakPolarHBondContact O-CB 3.48Å; S551-D554 PolarHBondContact O-N 3.45Å; S551-D554 VanDerWaalsContact O-N 3.15Å; S551-D554 PolarHBondContact OG-N 2.87Å; S551-D554 PolarHBondContact OG-OD2 3.19Å; S551-L555 WeakPolarHBondContact O-CG 3.38Å; S551-L555 PolarHBondContact O-N 3.09Å; S551-L595 WeakPolarHBondContact CB-O 3.42Å; S551-S596 VanDerWaalsContact CB-O 3.28Å; S551-S596 WeakPolarHBondContact CB-O 3.39Å; S551-C598 CarbonylContact C-O 3.54Å; S551-C598 WeakPolarHBondContact CA-O 3.34Å
552	L	90.6	Very high	86.3	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-28.6	171.6	-74.2	179.5	0	0	0	111.7	L555 I556 F571 I575 L595 C598 V600 V606	L552-L555 HydrophobicContact CD2-CD1 4.31Å; L552-L555 PolarHBondContact O-N 3.47Å; L552-I556 HydrophobicContact CB-CD1 4.43Å; L552-I556 WeakPolarHBondContact O-CB 3.05Å; L552-I556 WeakPolarHBondContact O-CD1 3.21Å; L552-I556 WeakPolarHBondContact O-CG1 3.46Å; L552-I556 PolarHBondContact O-N 3.16Å; L552-F571 HydrophobicContact CD2-CD2 3.76Å; L552-F571 HydrophobicContact CD2-CE2 3.84Å; L552-F571 HydrophobicContact CD2-CG 4.36Å; L552-F571 HydrophobicContact CD2-CZ 4.49Å; L552-I575 HydrophobicContact CD1-CD1 4.05Å; L552-L595 HydrophobicContact CB-CB 4.37Å; L552-L595 HydrophobicContact CB-CD2 3.96Å; L552-L595 HydrophobicContact CD1-CD2 4.19Å; L552-L595 PolarHBondContact N-O 3.41Å; L552-C598 HydrophobicContact CB-CB 4.3Å; L552-C598 HydrophobicContact CD1-CB 3.71Å; L552-C598 HydrophobicContact CG-CB 4.02Å; L552-C598 PolarHBondContact N-O 3.11Å; L552-V600 HydrophobicContact CD2-CG2 3.62Å; L552-V600 HydrophobicContact CG-CG2 4.02Å; L552-V606 HydrophobicContact CD1-CG1 4.13Å; L552-V606 HydrophobicContact CD1-CG2 4.27Å; L552-V606 HydrophobicContact CD2-CG2 4.37Å
553	E	88.7	Confident	85.7	Confident	36 Å²	36	61.8 Å²	61.8	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-45.9	173.6	-175.1	166.4	-159	0	0	111.2	F479 S551 L555 I556 F557 L595 S596	F479-E553 WeakPolarHBondContact CD1-OE1 3.22Å; S551-E553 PolarHBondContact O-N 3.44Å; S551-E553 PolarHBondContact OG-N 3.24Å; E553-L555 PolarHBondContact O-N 3Å; E553-I556 PolarHBondContact O-N 3.37Å; E553-F557 HydrophobicContact CG-CD2 3.98Å; E553-F557 WeakPolarHBondContact O-CB 3.47Å; E553-F557 WeakPolarHBondContact O-CD2 3.38Å; E553-F557 PolarHBondContact O-N 2.79Å; E553-L595 HydrophobicContact CB-CB 3.79Å; E553-L595 PolarHBondContact N-O 3.22Å; E553-S596 WeakPolarHBondContact OE2-CA 3.29Å; E553-S596 WeakPolarHBondContact OE2-CB 3.12Å; E553-S596 PolarHBondContact OE2-N 2.97Å; E553-S596 PolarHBondContact OE2-OG 2.88Å
554	D	85.5	Confident	84.9	Confident	46 Å²	46	63.4 Å²	63.4	25%	0.246	31%	0.307	C	S	.	.	I	π-helix	trans	-63.9	-42.2	176.5	-58.3	-54.1	0	0	0	111.4	Y550 S551 V558 K559	Y550-D554 WeakPolarHBondContact CB-OD2 3.41Å; S551-D554 WeakPolarHBondContact CB-OD2 3.39Å; S551-D554 PolarHBondContact N-OD2 3.2Å; S551-D554 WeakPolarHBondContact O-CB 3.48Å; S551-D554 PolarHBondContact O-N 3.45Å; S551-D554 VanDerWaalsContact O-N 3.15Å; S551-D554 PolarHBondContact OG-N 2.87Å; S551-D554 PolarHBondContact OG-OD2 3.19Å; D554-V558 WeakPolarHBondContact O-CA 3.19Å; D554-V558 VanDerWaalsContact O-CB 3.3Å; D554-V558 WeakPolarHBondContact O-CB 3.07Å; D554-V558 PolarHBondContact O-N 3.29Å; D554-V558 VanDerWaalsContact O-N 3.15Å; D554-K559 PolarHBondContact O-N 3.04Å
555	L	86.4	Confident	84.2	Confident	5 Å²	5	68 Å²	68	3%	0.026	33%	0.325	C	S	.	.	I	π-helix	trans	-65.7	-42.4	179.8	-68.6	176.7	0	0	0	112.4	R549 S551 L552 E553 K559 Q561 F563 V600 W604	R549-L555 HydrophobicContact CB-CD1 4.46Å; R549-L555 HydrophobicContact CB-CD2 4.49Å; R549-L555 WeakPolarHBondContact O-CD2 3.42Å; S551-L555 WeakPolarHBondContact O-CG 3.38Å; S551-L555 PolarHBondContact O-N 3.09Å; L552-L555 HydrophobicContact CD2-CD1 4.31Å; L552-L555 PolarHBondContact O-N 3.47Å; E553-L555 PolarHBondContact O-N 3Å; L555-K559 HydrophobicContact CD2-CD 4.12Å; L555-Q561 VanDerWaalsContact O-CB 3.26Å; L555-Q561 WeakPolarHBondContact O-CB 3.35Å; L555-Q561 PolarHBondContact O-N 3.26Å; L555-F563 HydrophobicContact CB-CE2 4.15Å; L555-F563 HydrophobicContact CB-CZ 3.97Å; L555-F563 HydrophobicContact CD1-CZ 4.19Å; L555-V600 HydrophobicContact CD1-CB 4.03Å; L555-V600 HydrophobicContact CD1-CG1 4.45Å; L555-V600 HydrophobicContact CD1-CG2 3.69Å; L555-W604 HydrophobicContact CD1-CZ3 4.25Å
556	I	86.4	Confident	83.5	Confident	64 Å²	64	65 Å²	65	33%	0.328	31%	0.311	S	S	.	.	I	π-helix	trans	-81.9	-45.7	-174.2	-65.8	167.5	0	0	0	111.8	L552 E553 E560 F563 L595	L552-I556 HydrophobicContact CB-CD1 4.43Å; L552-I556 WeakPolarHBondContact O-CB 3.05Å; L552-I556 WeakPolarHBondContact O-CD1 3.21Å; L552-I556 WeakPolarHBondContact O-CG1 3.46Å; L552-I556 PolarHBondContact O-N 3.16Å; E553-I556 PolarHBondContact O-N 3.37Å; I556-E560 WeakPolarHBondContact O-CA 3.46Å; I556-F563 HydrophobicContact CG1-CD2 4.38Å; I556-F563 HydrophobicContact CG1-CE2 4.04Å; I556-L595 HydrophobicContact CD1-CD1 4.43Å
557	F	85.2	Confident	83.1	Confident	129 Å²	129	63.1 Å²	63.1	57%	0.566	30%	0.303	S	S	*	.	I	π-helix	trans	-104.7	-25.9	-168.6	-58.7	-70.4	0	0	0	114.2	E553 L595	E553-F557 HydrophobicContact CG-CD2 3.98Å; E553-F557 WeakPolarHBondContact O-CB 3.47Å; E553-F557 WeakPolarHBondContact O-CD2 3.38Å; E553-F557 PolarHBondContact O-N 2.79Å; F557-L595 HydrophobicContact CE2-CD1 3.75Å; F557-L595 HydrophobicContact CZ-CD1 4.37Å
558	V	75.6	Confident	82.8	Confident	91 Å²	91	66.4 Å²	66.4	55%	0.552	32%	0.317	S	S	*	.	I	π-helix	trans	-95	-47.2	-180	-177	0	0	0	0	110.7	D554	D554-V558 WeakPolarHBondContact O-CA 3.19Å; D554-V558 VanDerWaalsContact O-CB 3.3Å; D554-V558 WeakPolarHBondContact O-CB 3.07Å; D554-V558 PolarHBondContact O-N 3.29Å; D554-V558 VanDerWaalsContact O-N 3.15Å
559	K	79.4	Confident	82.7	Confident	111 Å²	111	63.2 Å²	63.2	48%	0.483	30%	0.298	S	S	.	.	S	Bend	trans	-88.6	-8.3	178.8	-62	-169.3	-173.9	175.6	0	114	D554 L555 Q561	D554-K559 PolarHBondContact O-N 3.04Å; L555-K559 HydrophobicContact CD2-CD 4.12Å; K559-Q561 PolarHBondContact O-N 2.95Å; K559-Q561 VanDerWaalsContact O-N 3.13Å
560	E	81.4	Confident	82.8	Confident	153 Å²	153	61 Å²	61	72%	0.715	29%	0.293	S	S	*	.			trans	50.9	33.8	-176.6	-58.9	-171.3	163.6	0	0	113.4	I556 K562	I556-E560 WeakPolarHBondContact O-CA 3.46Å; E560-K562 PolarHBondContact O-N 3.49Å
561	Q	78	Confident	83.1	Confident	73 Å²	73	57.7 Å²	57.7	34%	0.341	28%	0.28	S	S	.	.			trans	-68.4	123.6	-177.6	-172.6	70.6	32.6	0	0	110.3	L555 K559 F563	L555-Q561 VanDerWaalsContact O-CB 3.26Å; L555-Q561 WeakPolarHBondContact O-CB 3.35Å; L555-Q561 PolarHBondContact O-N 3.26Å; K559-Q561 PolarHBondContact O-N 2.95Å; K559-Q561 VanDerWaalsContact O-N 3.13Å; Q561-F563 HydrophobicContact CB-CE1 4.42Å; Q561-F563 HydrophobicContact CB-CE2 3.98Å; Q561-F563 HydrophobicContact CB-CZ 3.78Å; Q561-F563 HydrophobicContact CG-CD1 4.3Å; Q561-F563 HydrophobicContact CG-CE1 3.59Å; Q561-F563 HydrophobicContact CG-CE2 4.02Å; Q561-F563 HydrophobicContact CG-CZ 3.44Å; Q561-F563 VanDerWaalsContact CG-CZ 3.44Å; Q561-F563 WeakPolarHBondContact O-CD2 3.45Å
562	K	79.4	Confident	83.1	Confident	188 Å²	188	60.4 Å²	60.4	82%	0.817	29%	0.294	S	S	*	.			trans	-83	130.2	173.8	-65.7	-177.4	-178.4	173.9	0	110.1	E560	E560-K562 PolarHBondContact O-N 3.49Å
563	F	79	Confident	83	Confident	27 Å²	27	62.9 Å²	62.9	12%	0.118	30%	0.304	C	S	.	.			trans	-114.5	125.3	178.7	-64.9	-66.9	0	0	0	110.9	L555 I556 Q561 F567 Q568 F571 W604	L555-F563 HydrophobicContact CB-CE2 4.15Å; L555-F563 HydrophobicContact CB-CZ 3.97Å; L555-F563 HydrophobicContact CD1-CZ 4.19Å; I556-F563 HydrophobicContact CG1-CD2 4.38Å; I556-F563 HydrophobicContact CG1-CE2 4.04Å; Q561-F563 HydrophobicContact CB-CE1 4.42Å; Q561-F563 HydrophobicContact CB-CE2 3.98Å; Q561-F563 HydrophobicContact CB-CZ 3.78Å; Q561-F563 HydrophobicContact CG-CD1 4.3Å; Q561-F563 HydrophobicContact CG-CE1 3.59Å; Q561-F563 HydrophobicContact CG-CE2 4.02Å; Q561-F563 HydrophobicContact CG-CZ 3.44Å; Q561-F563 VanDerWaalsContact CG-CZ 3.44Å; Q561-F563 WeakPolarHBondContact O-CD2 3.45Å; F563-F567 HydrophobicContact CB-CB 4Å; F563-F567 HydrophobicContact CD1-CB 4.07Å; F563-F567 HydrophobicContact CD1-CD1 4.44Å; F563-F567 HydrophobicContact CD1-CG 4.17Å; F563-F567 HydrophobicContact CG-CB 4.42Å; F563-Q568 HydrophobicContact CB-CG 4.31Å; F563-Q568 PolarHBondContact O-NE2 3.42Å; F563-F571 AromaticContact CD1-CE2 3.8Å; F563-F571 HydrophobicContact CD1-CE2 3.8Å; F563-F571 HydrophobicContact CD1-CZ 4.21Å; F563-F571 HydrophobicContact CD2-CE2 4.26Å; F563-F571 AromaticContact CE1-CE2 3.81Å; F563-F571 HydrophobicContact CE1-CE2 3.81Å; F563-F571 HydrophobicContact CE1-CZ 4.03Å; F563-F571 HydrophobicContact CE2-CE2 4.25Å; F563-F571 HydrophobicContact CG-CE2 4.03Å; F563-F571 HydrophobicContact CZ-CE2 4.03Å; F563-F571 HydrophobicContact CZ-CZ 4.5Å; F563-W604 HydrophobicContact CE1-CE3 4.36Å; F563-W604 AromaticContact CE1-CH2 3.97Å; F563-W604 HydrophobicContact CE1-CH2 3.97Å; F563-W604 AromaticContact CE1-CZ3 3.5Å; F563-W604 HydrophobicContact CE1-CZ3 3.5Å; F563-W604 HydrophobicContact CZ-CZ3 4.01Å
564	G	76.4	Confident	83.1	Confident	34 Å²	34	62.8 Å²	62.8	35%	0.351	30%	0.304	S	S	.	.			trans	-65	168.5	171.6	0	0	0	0	0	113.1	N566 F567 Q568	G564-N566 PolarHBondContact O-N 2.66Å; G564-N566 VanDerWaalsContact O-N 3.15Å; G564-F567 PolarHBondContact O-N 3.17Å; G564-Q568 WeakPolarHBondContact O-CG 3.07Å; G564-Q568 PolarHBondContact O-N 2.85Å; G564-Q568 VanDerWaalsContact O-N 3.08Å
565	R	79.1	Confident	83.5	Confident	102 Å²	102	62 Å²	62	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-58.4	-30.2	-175.3	-162.9	172.6	-175.8	157.8	3.3	113.2	Q568 S569 E695 F696	R565-Q568 PolarHBondContact O-N 3.38Å; R565-S569 WeakPolarHBondContact O-CB 3.04Å; R565-S569 PolarHBondContact O-N 2.04Å; R565-E695 IonicContact NH2-OE1 3.42Å; R565-E695 PolarHBondContact NH2-OE1 2.95Å; R565-E695 VanDerWaalsContact NH2-OE1 3.11Å; R565-F696 HydrophobicContact CG-CD1 4.19Å; R565-F696 HydrophobicContact CG-CE1 4.14Å
566	N	77.6	Confident	83.8	Confident	18 Å²	18	62.3 Å²	62.3	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-76.8	-40.7	-177.4	-35.3	-8.9	0	0	0	110.7	G564 S569 T570 V700 Q707	G564-N566 PolarHBondContact O-N 2.66Å; G564-N566 VanDerWaalsContact O-N 3.15Å; N566-S569 WeakPolarHBondContact O-CB 3.1Å; N566-S569 PolarHBondContact O-N 3.14Å; N566-T570 VanDerWaalsContact O-CB 3.32Å; N566-T570 WeakPolarHBondContact O-CB 3.37Å; N566-T570 PolarHBondContact O-N 3.39Å; N566-T570 PolarHBondContact O-OG1 3.22Å; N566-V700 HydrophobicContact CB-CG1 4.17Å; N566-V700 WeakPolarHBondContact ND2-CG1 3.25Å; N566-V700 WeakPolarHBondContact OD1-CG1 3.48Å; N566-Q707 VanDerWaalsContact CB-CD 3.49Å; N566-Q707 HydrophobicContact CB-CG 4.39Å; N566-Q707 WeakPolarHBondContact ND2-CG 3.16Å; N566-Q707 PolarHBondContact ND2-NE2 2.93Å; N566-Q707 PolarHBondContact OD1-NE2 3.33Å
567	F	82.6	Confident	84.1	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-46.5	169.8	-88.7	-74	0	0	0	111.6	F563 G564 S569 T570 F571 W604 L704 Q707 M708 M711	F563-F567 HydrophobicContact CB-CB 4Å; F563-F567 HydrophobicContact CD1-CB 4.07Å; F563-F567 HydrophobicContact CD1-CD1 4.44Å; F563-F567 HydrophobicContact CD1-CG 4.17Å; F563-F567 HydrophobicContact CG-CB 4.42Å; G564-F567 PolarHBondContact O-N 3.17Å; F567-S569 PolarHBondContact O-N 3.27Å; F567-T570 PolarHBondContact O-N 3.46Å; F567-F571 HydrophobicContact CB-CE2 4.4Å; F567-F571 HydrophobicContact CB-CZ 4.42Å; F567-F571 AromaticContact CD1-CE1 3.71Å; F567-F571 HydrophobicContact CD1-CE1 3.71Å; F567-F571 HydrophobicContact CD1-CE2 4.28Å; F567-F571 AromaticContact CD1-CZ 3.52Å; F567-F571 HydrophobicContact CD1-CZ 3.52Å; F567-F571 HydrophobicContact CE1-CE1 4.36Å; F567-F571 HydrophobicContact CE1-CZ 4.24Å; F567-F571 HydrophobicContact CG-CZ 4.39Å; F567-F571 WeakPolarHBondContact O-CB 3.06Å; F567-F571 WeakPolarHBondContact O-CG 3.29Å; F567-F571 PolarHBondContact O-N 3.44Å; F567-W604 HydrophobicContact CE1-CB 3.89Å; F567-W604 AromaticContact CE1-CD2 3.78Å; F567-W604 HydrophobicContact CE1-CD2 3.78Å; F567-W604 HydrophobicContact CE1-CE3 4.01Å; F567-W604 AromaticContact CE1-CG 3.79Å; F567-W604 HydrophobicContact CE1-CG 3.79Å; F567-W604 HydrophobicContact CZ-CD2 4.32Å; F567-W604 HydrophobicContact CZ-CG 4.36Å; F567-L704 HydrophobicContact CD1-CD1 4.13Å; F567-L704 HydrophobicContact CE1-CD1 4.16Å; F567-L704 HydrophobicContact CG-CD1 4.5Å; F567-Q707 HydrophobicContact CD2-CB 3.96Å; F567-Q707 HydrophobicContact CE2-CB 3.62Å; F567-M708 HydrophobicContact CE1-CG 4.32Å; F567-M708 HydrophobicContact CE2-CG 4.37Å; F567-M708 HydrophobicContact CZ-CG 3.53Å; F567-M711 HydrophobicContact CD2-CE 4.18Å; F567-M711 HydrophobicContact CE1-CE 4.01Å; F567-M711 HydrophobicContact CE2-CE 3.27Å; F567-M711 HydrophobicContact CE2-SD 4.03Å; F567-M711 HydrophobicContact CZ-CE 3.16Å; F567-M711 HydrophobicContact CZ-SD 4.43Å
568	Q	84	Confident	84.5	Confident	77 Å²	77	57.2 Å²	57.2	36%	0.36	28%	0.278	S	S	.	.	H	α-helix	trans	-58	-49.1	176.7	-65.8	173	8.1	0	0	111.7	F563 G564 R565 T570 F571 I572	F563-Q568 HydrophobicContact CB-CG 4.31Å; F563-Q568 PolarHBondContact O-NE2 3.42Å; G564-Q568 WeakPolarHBondContact O-CG 3.07Å; G564-Q568 PolarHBondContact O-N 2.85Å; G564-Q568 VanDerWaalsContact O-N 3.08Å; R565-Q568 PolarHBondContact O-N 3.38Å; Q568-T570 VanDerWaalsContact C-N 3.32Å; Q568-T570 PolarHBondContact O-N 2.7Å; Q568-F571 PolarHBondContact O-N 3.13Å; Q568-I572 WeakPolarHBondContact O-CD1 3.44Å; Q568-I572 VanDerWaalsContact O-CG1 3.23Å; Q568-I572 WeakPolarHBondContact O-CG1 3.42Å; Q568-I572 PolarHBondContact O-N 3.09Å
569	S	82.2	Confident	85.4	Confident	6 Å²	6	54 Å²	54	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-54.5	-48.3	174.6	172.2	0	0	0	0	112	R565 N566 F567 I572 K573 F696	R565-S569 WeakPolarHBondContact O-CB 3.04Å; R565-S569 PolarHBondContact O-N 2.04Å; N566-S569 WeakPolarHBondContact O-CB 3.1Å; N566-S569 PolarHBondContact O-N 3.14Å; F567-S569 PolarHBondContact O-N 3.27Å; S569-I572 PolarHBondContact O-N 3.14Å; S569-K573 WeakPolarHBondContact O-CB 3.15Å; S569-K573 VanDerWaalsContact O-CG 3.28Å; S569-K573 WeakPolarHBondContact O-CG 3.14Å; S569-K573 PolarHBondContact O-N 2.96Å; S569-F696 WeakPolarHBondContact OG-CB 3.41Å
570	T	86.4	Confident	86	Confident	27 Å²	27	52 Å²	52	17%	0.166	25%	0.252	C	S	.	.	H	α-helix	trans	-68.9	-42.8	-175.3	-58.4	0	0	0	0	111.7	N566 F567 Q568 I572 K573 H574 L704	N566-T570 VanDerWaalsContact O-CB 3.32Å; N566-T570 WeakPolarHBondContact O-CB 3.37Å; N566-T570 PolarHBondContact O-N 3.39Å; N566-T570 PolarHBondContact O-OG1 3.22Å; F567-T570 PolarHBondContact O-N 3.46Å; Q568-T570 VanDerWaalsContact C-N 3.32Å; Q568-T570 PolarHBondContact O-N 2.7Å; T570-I572 PolarHBondContact O-N 2.76Å; T570-K573 PolarHBondContact O-N 3.4Å; T570-H574 WeakPolarHBondContact CG2-CE1 3.21Å; T570-H574 WeakPolarHBondContact O-CB 3.35Å; T570-H574 PolarHBondContact O-N 3.37Å; T570-L704 HydrophobicContact CG2-CD1 3.84Å; T570-L704 HydrophobicContact CG2-CD2 4.23Å; T570-L704 WeakPolarHBondContact OG1-CD1 3.47Å
571	F	91.1	Very high	86.6	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-43.2	176.1	-66.4	-10.8	0	0	0	111.8	L552 F563 F567 Q568 H574 I575 W604 V606	L552-F571 HydrophobicContact CD2-CD2 3.76Å; L552-F571 HydrophobicContact CD2-CE2 3.84Å; L552-F571 HydrophobicContact CD2-CG 4.36Å; L552-F571 HydrophobicContact CD2-CZ 4.49Å; F563-F571 AromaticContact CD1-CE2 3.8Å; F563-F571 HydrophobicContact CD1-CE2 3.8Å; F563-F571 HydrophobicContact CD1-CZ 4.21Å; F563-F571 HydrophobicContact CD2-CE2 4.26Å; F563-F571 AromaticContact CE1-CE2 3.81Å; F563-F571 HydrophobicContact CE1-CE2 3.81Å; F563-F571 HydrophobicContact CE1-CZ 4.03Å; F563-F571 HydrophobicContact CE2-CE2 4.25Å; F563-F571 HydrophobicContact CG-CE2 4.03Å; F563-F571 HydrophobicContact CZ-CE2 4.03Å; F563-F571 HydrophobicContact CZ-CZ 4.5Å; F567-F571 HydrophobicContact CB-CE2 4.4Å; F567-F571 HydrophobicContact CB-CZ 4.42Å; F567-F571 AromaticContact CD1-CE1 3.71Å; F567-F571 HydrophobicContact CD1-CE1 3.71Å; F567-F571 HydrophobicContact CD1-CE2 4.28Å; F567-F571 AromaticContact CD1-CZ 3.52Å; F567-F571 HydrophobicContact CD1-CZ 3.52Å; F567-F571 HydrophobicContact CE1-CE1 4.36Å; F567-F571 HydrophobicContact CE1-CZ 4.24Å; F567-F571 HydrophobicContact CG-CZ 4.39Å; F567-F571 WeakPolarHBondContact O-CB 3.06Å; F567-F571 WeakPolarHBondContact O-CG 3.29Å; F567-F571 PolarHBondContact O-N 3.44Å; Q568-F571 PolarHBondContact O-N 3.13Å; F571-H574 PolarHBondContact O-N 3.43Å; F571-I575 VanDerWaalsContact O-CG1 3.29Å; F571-I575 WeakPolarHBondContact O-CG1 3.49Å; F571-I575 PolarHBondContact O-N 2.96Å; F571-W604 HydrophobicContact CE1-CE3 4.38Å; F571-W604 AromaticContact CZ-CE3 3.82Å; F571-W604 HydrophobicContact CZ-CE3 3.82Å; F571-W604 HydrophobicContact CZ-CZ3 4.28Å; F571-V606 HydrophobicContact CB-CG2 3.89Å; F571-V606 HydrophobicContact CD1-CG2 3.38Å; F571-V606 HydrophobicContact CE1-CG2 4.02Å; F571-V606 HydrophobicContact CG-CG2 3.71Å
572	I	89.4	Confident	87.3	Confident	63 Å²	63	44.7 Å²	44.7	32%	0.323	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-45.5	175.8	-65.5	166	0	0	0	110.2	Q568 S569 T570 H574 I575 V576 V692 F696	Q568-I572 WeakPolarHBondContact O-CD1 3.44Å; Q568-I572 VanDerWaalsContact O-CG1 3.23Å; Q568-I572 WeakPolarHBondContact O-CG1 3.42Å; Q568-I572 PolarHBondContact O-N 3.09Å; S569-I572 PolarHBondContact O-N 3.14Å; T570-I572 PolarHBondContact O-N 2.76Å; I572-H574 PolarHBondContact O-N 3.49Å; I572-I575 PolarHBondContact O-N 3.42Å; I572-V576 HydrophobicContact CG2-CG2 4.33Å; I572-V576 VanDerWaalsContact O-CG2 3.31Å; I572-V576 WeakPolarHBondContact O-CG2 3.47Å; I572-V576 PolarHBondContact O-N 2.88Å; I572-V692 HydrophobicContact CB-CG1 4.45Å; I572-V692 HydrophobicContact CG2-CB 4.39Å; I572-V692 HydrophobicContact CG2-CG1 3.72Å; I572-V692 HydrophobicContact CG2-CG2 3.68Å; I572-F696 HydrophobicContact CD1-CE2 3.9Å; I572-F696 HydrophobicContact CD1-CZ 3.97Å
573	K	88.3	Confident	87.9	Confident	57 Å²	57	39.4 Å²	39.4	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-47.8	176.3	-75.7	172.9	-177.9	177.7	0	111.2	S569 T570 I575 V576 H577 V692	S569-K573 WeakPolarHBondContact O-CB 3.15Å; S569-K573 VanDerWaalsContact O-CG 3.28Å; S569-K573 WeakPolarHBondContact O-CG 3.14Å; S569-K573 PolarHBondContact O-N 2.96Å; T570-K573 PolarHBondContact O-N 3.4Å; K573-I575 VanDerWaalsContact C-N 3.35Å; K573-I575 PolarHBondContact O-N 3.23Å; K573-V576 PolarHBondContact O-N 2.79Å; K573-H577 PolarHBondContact O-N 2.7Å; K573-H577 PolarHBondContact O-ND1 2.82Å; K573-V692 HydrophobicContact CG-CG1 4.04Å
574	H	92.4	Very high	88.5	Confident	34 Å²	34	43.7 Å²	43.7	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-45.4	177.3	-72	168.7	0	0	0	112.3	N525 T570 F571 I572 H577 G578 V606	N525-H574 VanDerWaalsContact CB-O 3.23Å; N525-H574 WeakPolarHBondContact CB-O 3.44Å; N525-H574 WeakPolarHBondContact ND2-CA 3.4Å; N525-H574 WeakPolarHBondContact ND2-CB 3.34Å; N525-H574 PolarHBondContact ND2-CD2 3.18Å; N525-H574 VanDerWaalsContact ND2-CD2 3.26Å; T570-H574 WeakPolarHBondContact CG2-CE1 3.21Å; T570-H574 WeakPolarHBondContact O-CB 3.35Å; T570-H574 PolarHBondContact O-N 3.37Å; F571-H574 PolarHBondContact O-N 3.43Å; I572-H574 PolarHBondContact O-N 3.49Å; H574-H577 PolarHBondContact O-N 3.35Å; H574-G578 PolarHBondContact O-N 3.4Å; H574-V606 HydrophobicContact CB-CB 3.77Å; H574-V606 HydrophobicContact CB-CG2 4.37Å; H574-V606 PolarHBondContact ND1-N 3.12Å
575	I	93.9	Very high	89.2	Confident	29 Å²	29	43.1 Å²	43.1	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-48.2	176.2	-68.3	165.4	0	0	0	110.7	L552 F571 I572 K573 H577 G578 I579 L593 V606 L608	L552-I575 HydrophobicContact CD1-CD1 4.05Å; F571-I575 VanDerWaalsContact O-CG1 3.29Å; F571-I575 WeakPolarHBondContact O-CG1 3.49Å; F571-I575 PolarHBondContact O-N 2.96Å; I572-I575 PolarHBondContact O-N 3.42Å; K573-I575 VanDerWaalsContact C-N 3.35Å; K573-I575 PolarHBondContact O-N 3.23Å; I575-H577 VanDerWaalsContact C-N 3.34Å; I575-H577 PolarHBondContact O-N 3.27Å; I575-G578 PolarHBondContact O-N 3.01Å; I575-I579 HydrophobicContact CG2-CD1 3.71Å; I575-I579 HydrophobicContact CG2-CG1 4.38Å; I575-I579 VanDerWaalsContact O-CG1 3.27Å; I575-I579 WeakPolarHBondContact O-CG1 3.44Å; I575-I579 PolarHBondContact O-N 3.22Å; I575-L593 HydrophobicContact CG2-CD1 4.26Å; I575-L593 HydrophobicContact CG2-CD2 4.2Å; I575-V606 HydrophobicContact CG1-CG1 3.92Å; I575-L608 HydrophobicContact CG1-CD2 4.33Å; I575-L608 HydrophobicContact CG2-CD2 4.47Å
576	V	91.8	Very high	89.6	Confident	12 Å²	12	41.1 Å²	41.1	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-41.7	179.6	170.5	0	0	0	0	111.6	I572 K573 I579 N580 L685 I688 T689	I572-V576 HydrophobicContact CG2-CG2 4.33Å; I572-V576 VanDerWaalsContact O-CG2 3.31Å; I572-V576 WeakPolarHBondContact O-CG2 3.47Å; I572-V576 PolarHBondContact O-N 2.88Å; K573-V576 PolarHBondContact O-N 2.79Å; V576-I579 PolarHBondContact O-N 3.45Å; V576-N580 WeakPolarHBondContact O-CB 3.39Å; V576-N580 PolarHBondContact O-N 3.01Å; V576-L685 HydrophobicContact CG1-CD1 4.18Å; V576-L685 HydrophobicContact CG1-CG 4.48Å; V576-I688 HydrophobicContact CG2-CG2 4.37Å; V576-T689 HydrophobicContact CG1-CG2 4.38Å; V576-T689 WeakPolarHBondContact CG1-OG1 3.36Å
577	H	92.3	Very high	90	Very high	86 Å²	86	41.1 Å²	41.1	40%	0.398	21%	0.209	S	C	.	.	H	α-helix	trans	-66.6	-42.2	177.1	-74.9	72.5	0	0	0	111.8	N525 K573 H574 I575 N580 Y581	N525-H577 WeakPolarHBondContact OD1-CB 3.38Å; K573-H577 PolarHBondContact O-N 2.7Å; K573-H577 PolarHBondContact O-ND1 2.82Å; H574-H577 PolarHBondContact O-N 3.35Å; I575-H577 VanDerWaalsContact C-N 3.34Å; I575-H577 PolarHBondContact O-N 3.27Å; H577-N580 PolarHBondContact O-N 3.3Å; H577-Y581 PolarHBondContact O-N 2.83Å
578	G	93.7	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-44.2	173.9	0	0	0	0	0	112.5	H574 I575 Y581 I582	H574-G578 PolarHBondContact O-N 3.4Å; I575-G578 PolarHBondContact O-N 3.01Å; G578-Y581 PolarHBondContact O-N 3.38Å; G578-I582 WeakPolarHBondContact O-CG1 3.34Å; G578-I582 PolarHBondContact O-N 2.55Å
579	I	94	Very high	90.6	Very high	22 Å²	22	47.4 Å²	47.4	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-43.2	176	-66.6	166.6	0	0	0	110.9	I575 V576 Y581 I582 H583 L593 L608 L685	I575-I579 HydrophobicContact CG2-CD1 3.71Å; I575-I579 HydrophobicContact CG2-CG1 4.38Å; I575-I579 VanDerWaalsContact O-CG1 3.27Å; I575-I579 WeakPolarHBondContact O-CG1 3.44Å; I575-I579 PolarHBondContact O-N 3.22Å; V576-I579 PolarHBondContact O-N 3.45Å; I579-Y581 VanDerWaalsContact C-N 3.28Å; I579-Y581 PolarHBondContact O-N 2.8Å; I579-I582 PolarHBondContact O-N 3.04Å; I579-H583 WeakPolarHBondContact CG2-CE1 3.25Å; I579-H583 VanDerWaalsContact CG2-NE2 3.34Å; I579-H583 WeakPolarHBondContact CG2-NE2 3.42Å; I579-H583 WeakPolarHBondContact O-CB 3.18Å; I579-H583 PolarHBondContact O-CD2 3.47Å; I579-H583 VanDerWaalsContact O-CG 3.3Å; I579-H583 PolarHBondContact O-N 3.28Å; I579-L593 HydrophobicContact CD1-CD1 4.34Å; I579-L593 HydrophobicContact CD1-CD2 3.48Å; I579-L593 VanDerWaalsContact CD1-CD2 3.48Å; I579-L593 HydrophobicContact CG1-CD1 4.41Å; I579-L593 HydrophobicContact CG1-CD2 4.32Å; I579-L608 HydrophobicContact CG1-CD1 3.88Å; I579-L685 HydrophobicContact CB-CD2 4.49Å; I579-L685 HydrophobicContact CG2-CD1 4.09Å; I579-L685 HydrophobicContact CG2-CD2 4.02Å
580	N	93.1	Very high	91	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-43	178.2	-169.9	42.7	0	0	0	111.3	V576 H577 H583 N584 L685	V576-N580 WeakPolarHBondContact O-CB 3.39Å; V576-N580 PolarHBondContact O-N 3.01Å; H577-N580 PolarHBondContact O-N 3.3Å; N580-H583 PolarHBondContact O-N 2.82Å; N580-N584 WeakPolarHBondContact O-CB 3.24Å; N580-N584 PolarHBondContact O-N 3.4Å; N580-N584 VanDerWaalsContact O-N 3.08Å; N580-N584 PolarHBondContact O-ND2 3.34Å; N580-N584 VanDerWaalsContact O-ND2 3.13Å; N580-N584 PolarHBondContact OD1-ND2 3.13Å; N580-L685 HydrophobicContact CB-CD2 3.48Å; N580-L685 VanDerWaalsContact CB-CD2 3.48Å
581	Y	94.4	Very high	90.9	Very high	71 Å²	71	49.7 Å²	49.7	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.9	-174.9	-97.9	0	0	0	112	M521 S522 H523 I526 H577 G578 I579 N584 S585	M521-Y581 HydrophobicContact CB-CE1 4.28Å; M521-Y581 HydrophobicContact CE-CD1 3.63Å; M521-Y581 HydrophobicContact CE-CE1 3.35Å; M521-Y581 HydrophobicContact CG-CE1 4.29Å; S522-Y581 PolarHBondContact N-OH 3.17Å; S522-Y581 PolarHBondContact O-OH 3.22Å; H523-Y581 HydrophobicContact CB-CD1 3.78Å; H523-Y581 HydrophobicContact CB-CD2 3.86Å; H523-Y581 HydrophobicContact CB-CE1 3.83Å; H523-Y581 HydrophobicContact CB-CE2 3.94Å; H523-Y581 HydrophobicContact CB-CG 3.78Å; H523-Y581 AromaticContact CD2-CD2 3.61Å; H523-Y581 AromaticContact CD2-CG 3.94Å; H523-Y581 AromaticContact CG-CD2 3.83Å; H523-Y581 AromaticContact CG-CG 3.76Å; I526-Y581 HydrophobicContact CD1-CD1 4.26Å; I526-Y581 HydrophobicContact CG1-CD1 3.66Å; I526-Y581 HydrophobicContact CG1-CE1 4.22Å; I526-Y581 HydrophobicContact CG1-CG 4.43Å; H577-Y581 PolarHBondContact O-N 2.83Å; G578-Y581 PolarHBondContact O-N 3.38Å; I579-Y581 VanDerWaalsContact C-N 3.28Å; I579-Y581 PolarHBondContact O-N 2.8Å; Y581-N584 PolarHBondContact O-N 3.02Å; Y581-S585 PolarHBondContact O-N 3.01Å
582	I	93.1	Very high	90.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177	-66	166.6	0	0	0	111.7	M521 I526 G578 I579 N584 S585 I587 K588 H590 L608 F611	M521-I582 HydrophobicContact CE-CG1 4.38Å; I526-I582 HydrophobicContact CD1-CD1 3.73Å; I526-I582 HydrophobicContact CD1-CG1 3.68Å; G578-I582 WeakPolarHBondContact O-CG1 3.34Å; G578-I582 PolarHBondContact O-N 2.55Å; I579-I582 PolarHBondContact O-N 3.04Å; I582-N584 VanDerWaalsContact C-N 3.28Å; I582-N584 PolarHBondContact O-N 3.17Å; I582-S585 PolarHBondContact O-N 3.16Å; I582-S585 VanDerWaalsContact O-N 3.14Å; I582-S585 PolarHBondContact O-OG 3.33Å; I582-I587 HydrophobicContact CG2-CB 4.48Å; I582-I587 HydrophobicContact CG2-CG2 4.38Å; I582-K588 WeakPolarHBondContact O-CA 3.21Å; I582-K588 PolarHBondContact O-N 2.98Å; I582-H590 HydrophobicContact CD1-CB 4.27Å; I582-L608 HydrophobicContact CD1-CB 4.47Å; I582-L608 HydrophobicContact CD1-CD1 4.01Å; I582-F611 HydrophobicContact CD1-CB 4.36Å; I582-F611 HydrophobicContact CD1-CD1 4.07Å; I582-F611 HydrophobicContact CD1-CD2 4.12Å; I582-F611 HydrophobicContact CD1-CE1 4.46Å; I582-F611 HydrophobicContact CD1-CE2 4.48Å; I582-F611 HydrophobicContact CD1-CG 3.91Å; I582-F611 HydrophobicContact CG1-CD2 4.25Å; I582-F611 HydrophobicContact CG1-CE2 4.31Å
583	H	92	Very high	90.5	Very high	77 Å²	77	49.9 Å²	49.9	36%	0.356	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-35.7	179.6	-73.8	-170.9	0	0	0	112.2	I579 N580 S585 K588	I579-H583 WeakPolarHBondContact CG2-CE1 3.25Å; I579-H583 VanDerWaalsContact CG2-NE2 3.34Å; I579-H583 WeakPolarHBondContact CG2-NE2 3.42Å; I579-H583 WeakPolarHBondContact O-CB 3.18Å; I579-H583 PolarHBondContact O-CD2 3.47Å; I579-H583 VanDerWaalsContact O-CG 3.3Å; I579-H583 PolarHBondContact O-N 3.28Å; N580-H583 PolarHBondContact O-N 2.82Å; H583-S585 VanDerWaalsContact C-N 3.34Å; H583-K588 WeakPolarHBondContact CA-O 3.49Å; H583-K588 PolarHBondContact CD2-O 2.84Å
584	N	91.6	Very high	90.5	Very high	118 Å²	118	51.3 Å²	51.3	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-82.3	-12.9	176.5	-66.2	-31	0	0	0	113	N580 Y581 I582	N580-N584 WeakPolarHBondContact O-CB 3.24Å; N580-N584 PolarHBondContact O-N 3.4Å; N580-N584 VanDerWaalsContact O-N 3.08Å; N580-N584 PolarHBondContact O-ND2 3.34Å; N580-N584 VanDerWaalsContact O-ND2 3.13Å; N580-N584 PolarHBondContact OD1-ND2 3.13Å; Y581-N584 PolarHBondContact O-N 3.02Å; I582-N584 VanDerWaalsContact C-N 3.28Å; I582-N584 PolarHBondContact O-N 3.17Å
585	S	91	Very high	90.4	Very high	21 Å²	21	52.9 Å²	52.9	15%	0.147	29%	0.285	C	S	.	.	S	Bend	trans	-79.2	177.8	172.8	90.2	0	0	0	0	112	Y581 I582 H583 I587 K588	Y581-S585 PolarHBondContact O-N 3.01Å; I582-S585 PolarHBondContact O-N 3.16Å; I582-S585 VanDerWaalsContact O-N 3.14Å; I582-S585 PolarHBondContact O-OG 3.33Å; H583-S585 VanDerWaalsContact C-N 3.34Å; S585-I587 VanDerWaalsContact C-N 3.26Å; S585-I587 PolarHBondContact O-N 3.08Å; S585-I587 PolarHBondContact OG-N 3.04Å; S585-K588 VanDerWaalsContact O-CD 3.29Å; S585-K588 WeakPolarHBondContact O-CD 3.45Å; S585-K588 VanDerWaalsContact O-CE 3.24Å; S585-K588 WeakPolarHBondContact O-CE 3.47Å; S585-K588 PolarHBondContact O-NZ 2.97Å
586	S	86.7	Confident	90.1	Very high	61 Å²	61	53.7 Å²	53.7	43%	0.427	29%	0.293	S	S	.	.	S	Bend	trans	-69.8	-20.5	173.9	50	0	0	0	0	113.6	Q517 K588	Q517-S586 PolarHBondContact OE1-OG 3.33Å; S586-K588 VanDerWaalsContact C-N 3.32Å
587	I	87	Confident	90	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.087	29%	0.292	C	S	.	.	S	Bend	trans	-73.2	-29.1	-179.7	-59.1	179.5	0	0	0	110.9	M514 L518 M521 I582 S585 V589 F611	M514-I587 HydrophobicContact CE-CG1 4.46Å; M514-I587 HydrophobicContact CE-CG2 4.31Å; L518-I587 HydrophobicContact CB-CD1 4.37Å; L518-I587 HydrophobicContact CD1-CD1 3.73Å; M521-I587 HydrophobicContact CE-CD1 4.43Å; M521-I587 HydrophobicContact SD-CD1 3.45Å; M521-I587 WeakPolarHBondContact SD-CD1 3.36Å; M521-I587 HydrophobicContact SD-CG1 4.2Å; I582-I587 HydrophobicContact CG2-CB 4.48Å; I582-I587 HydrophobicContact CG2-CG2 4.38Å; S585-I587 VanDerWaalsContact C-N 3.26Å; S585-I587 PolarHBondContact O-N 3.08Å; S585-I587 PolarHBondContact OG-N 3.04Å; I587-V589 WeakPolarHBondContact CG2-O 3.12Å; I587-V589 PolarHBondContact O-N 3.45Å; I587-F611 HydrophobicContact CD1-CD2 3.7Å; I587-F611 HydrophobicContact CD1-CE2 3.64Å; I587-F611 HydrophobicContact CG2-CD2 4.39Å
588	K	88.8	Confident	90.1	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.517	27%	0.274	S	S	.	.			trans	64.6	-33.4	175.4	-57.6	-63.2	174.2	-154.6	0	116.6	I582 H583 S585 S586	I582-K588 WeakPolarHBondContact O-CA 3.21Å; I582-K588 PolarHBondContact O-N 2.98Å; H583-K588 WeakPolarHBondContact CA-O 3.49Å; H583-K588 PolarHBondContact CD2-O 2.84Å; S585-K588 VanDerWaalsContact O-CD 3.29Å; S585-K588 WeakPolarHBondContact O-CD 3.45Å; S585-K588 VanDerWaalsContact O-CE 3.24Å; S585-K588 WeakPolarHBondContact O-CE 3.47Å; S585-K588 PolarHBondContact O-NZ 2.97Å; S586-K588 VanDerWaalsContact C-N 3.32Å
589	V	89.3	Confident	90.1	Very high	91 Å²	91	50.2 Å²	50.2	55%	0.552	28%	0.278	S	S	*	.			trans	-141.9	143.4	-176.2	-63.8	0	0	0	0	110.9	I587	I587-V589 WeakPolarHBondContact CG2-O 3.12Å; I587-V589 PolarHBondContact O-N 3.45Å
590	H	90.7	Very high	90	Very high	13 Å²	13	49.1 Å²	49.1	6%	0.06	27%	0.272	C	S	.	.			trans	-71.3	-37.4	172.7	-171.5	-52.2	0	0	0	111.9	I582 A592 T609 F611	I582-H590 HydrophobicContact CD1-CB 4.27Å; H590-A592 PolarHBondContact CE1-O 3.01Å; H590-A592 VanDerWaalsContact CE1-O 3.28Å; H590-A592 PolarHBondContact ND1-N 3.49Å; H590-A592 PolarHBondContact ND1-O 3.36Å; H590-A592 PolarHBondContact O-N 3.44Å; H590-A592 VanDerWaalsContact O-N 3.13Å; H590-T609 PolarHBondContact CE1-O 3.13Å; H590-T609 PolarHBondContact NE2-O 3Å; H590-F611 HydrophobicContact CB-CB 4.34Å
591	G	84.1	Confident	89.8	Confident	68 Å²	68	46.6 Å²	46.6	70%	0.701	26%	0.259	S	S	*	.	S	Bend	trans	76.9	-16.1	178.8	0	0	0	0	0	116.2
592	A	84.6	Confident	89.4	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	26%	0.263	C	S	.	.			trans	-159.5	60.6	-178.2	0	0	0	0	0	112.4	H590 Y594 N597 K614	H590-A592 PolarHBondContact CE1-O 3.01Å; H590-A592 VanDerWaalsContact CE1-O 3.28Å; H590-A592 PolarHBondContact ND1-N 3.49Å; H590-A592 PolarHBondContact ND1-O 3.36Å; H590-A592 PolarHBondContact O-N 3.44Å; H590-A592 VanDerWaalsContact O-N 3.13Å; A592-Y594 HydrophobicContact CB-CD2 4.13Å; A592-Y594 HydrophobicContact CB-CE2 3.72Å; A592-Y594 PolarHBondContact O-N 3.35Å; A592-N597 PolarHBondContact O-ND2 3.08Å; A592-K614 HydrophobicContact CB-CD 3.39Å
593	L	88.1	Confident	89	Confident	78 Å²	78	53.7 Å²	53.7	41%	0.408	29%	0.294	S	S	.	.			trans	-76.7	94.7	177	-172.8	76	0	0	0	109.3	I575 I579 L608	I575-L593 HydrophobicContact CG2-CD1 4.26Å; I575-L593 HydrophobicContact CG2-CD2 4.2Å; I579-L593 HydrophobicContact CD1-CD1 4.34Å; I579-L593 HydrophobicContact CD1-CD2 3.48Å; I579-L593 VanDerWaalsContact CD1-CD2 3.48Å; I579-L593 HydrophobicContact CG1-CD1 4.41Å; I579-L593 HydrophobicContact CG1-CD2 4.32Å; L593-L608 HydrophobicContact CD1-CD1 4.24Å; L593-L608 HydrophobicContact CD1-CD2 3.74Å
594	Y	88.3	Confident	88.7	Confident	88 Å²	88	50.8 Å²	50.8	35%	0.345	28%	0.28	S	S	.	.			trans	-119.3	162.4	175	-52.6	-48.5	0	0	0	109.9	A592 S596 N597 C598 D635	A592-Y594 HydrophobicContact CB-CD2 4.13Å; A592-Y594 HydrophobicContact CB-CE2 3.72Å; A592-Y594 PolarHBondContact O-N 3.35Å; Y594-S596 PolarHBondContact O-N 3.38Å; Y594-N597 PolarHBondContact O-N 3.01Å; Y594-C598 PolarHBondContact O-N 2.92Å; Y594-C598 PolarHBondContact O-SG 3.46Å; Y594-D635 VanDerWaalsContact CE2-OD1 3.26Å; Y594-D635 WeakPolarHBondContact CE2-OD1 3.5Å; Y594-D635 VanDerWaalsContact CZ-OD1 3.25Å; Y594-D635 PolarHBondContact OH-OD1 3.45Å
595	L	89	Confident	88.6	Confident	67 Å²	67	46.4 Å²	46.4	35%	0.351	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-62.8	-30.7	176.3	-69.2	173.5	0	0	0	112.1	S551 L552 E553 I556 F557 N597 C598	S551-L595 WeakPolarHBondContact CB-O 3.42Å; L552-L595 HydrophobicContact CB-CB 4.37Å; L552-L595 HydrophobicContact CB-CD2 3.96Å; L552-L595 HydrophobicContact CD1-CD2 4.19Å; L552-L595 PolarHBondContact N-O 3.41Å; E553-L595 HydrophobicContact CB-CB 3.79Å; E553-L595 PolarHBondContact N-O 3.22Å; I556-L595 HydrophobicContact CD1-CD1 4.43Å; F557-L595 HydrophobicContact CE2-CD1 3.75Å; F557-L595 HydrophobicContact CZ-CD1 4.37Å; L595-N597 VanDerWaalsContact C-N 3.26Å; L595-N597 PolarHBondContact O-N 3.2Å; L595-C598 PolarHBondContact O-N 2.75Å
596	S	88	Confident	88.7	Confident	46 Å²	46	45.4 Å²	45.4	32%	0.322	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.5	-28.6	171.2	12.8	0	0	0	0	113.8	S551 E553 Y594	S551-S596 VanDerWaalsContact CB-O 3.28Å; S551-S596 WeakPolarHBondContact CB-O 3.39Å; E553-S596 WeakPolarHBondContact OE2-CA 3.29Å; E553-S596 WeakPolarHBondContact OE2-CB 3.12Å; E553-S596 PolarHBondContact OE2-N 2.97Å; E553-S596 PolarHBondContact OE2-OG 2.88Å; Y594-S596 PolarHBondContact O-N 3.38Å
597	N	91.3	Very high	89.1	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.043	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-95.8	5.5	179.9	-67.1	-16.8	0	0	0	112.6	A592 Y594 L595 T609 D610	A592-N597 PolarHBondContact O-ND2 3.08Å; Y594-N597 PolarHBondContact O-N 3.01Å; L595-N597 VanDerWaalsContact C-N 3.26Å; L595-N597 PolarHBondContact O-N 3.2Å; N597-T609 HydrophobicContact CB-CG2 4.33Å; N597-T609 WeakPolarHBondContact O-CG2 3.24Å; N597-T609 PolarHBondContact O-N 2.86Å; N597-D610 PolarHBondContact OD1-OD2 2.82Å
598	C	93.9	Very high	89.5	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.02	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	91.2	172.1	-61.9	0	0	0	0	108.2	S551 L552 Y594 L595 V606	S551-C598 CarbonylContact C-O 3.54Å; S551-C598 WeakPolarHBondContact CA-O 3.34Å; L552-C598 HydrophobicContact CB-CB 4.3Å; L552-C598 HydrophobicContact CD1-CB 3.71Å; L552-C598 HydrophobicContact CG-CB 4.02Å; L552-C598 PolarHBondContact N-O 3.11Å; Y594-C598 PolarHBondContact O-N 2.92Å; Y594-C598 PolarHBondContact O-SG 3.46Å; L595-C598 PolarHBondContact O-N 2.75Å; C598-V606 HydrophobicContact CB-CG1 3.84Å
599	V	93.3	Very high	89.7	Confident	13 Å²	13	38 Å²	38	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.3	-176.3	-69.5	0	0	0	0	112	N527 T547 Y550 V606 K607 T609	N527-V599 HydrophobicContact CB-CG2 4.11Å; T547-V599 HydrophobicContact CG2-CB 3.97Å; T547-V599 HydrophobicContact CG2-CG2 3.67Å; T547-V599 WeakPolarHBondContact OG1-CB 3.41Å; Y550-V599 WeakPolarHBondContact O-CA 3.39Å; V599-V606 CarbonylContact O-C 3.59Å; V599-V606 WeakPolarHBondContact O-CA 3.44Å; V599-K607 HydrophobicContact CG2-CB 4.13Å; V599-K607 VanDerWaalsContact CG2-O 3.23Å; V599-K607 WeakPolarHBondContact CG2-O 3.34Å; V599-K607 PolarHBondContact N-O 3.47Å; V599-K607 PolarHBondContact O-N 2.73Å; V599-T609 HydrophobicContact CG1-CG2 3.84Å; V599-T609 HydrophobicContact CG2-CG2 4.11Å
600	V	91.7	Very high	89.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	-174.5	-171.4	0	0	0	0	110.5	T547 R549 Y550 L552 L555 W604 V605 V606	T547-V600 WeakPolarHBondContact CB-O 3.31Å; R549-V600 HydrophobicContact CB-CB 3.96Å; R549-V600 HydrophobicContact CB-CG1 4.19Å; R549-V600 WeakPolarHBondContact CB-O 3.31Å; R549-V600 PolarHBondContact N-O 3.13Å; R549-V600 VanDerWaalsContact N-O 3.12Å; Y550-V600 PolarHBondContact O-N 3.09Å; L552-V600 HydrophobicContact CD2-CG2 3.62Å; L552-V600 HydrophobicContact CG-CG2 4.02Å; L555-V600 HydrophobicContact CD1-CB 4.03Å; L555-V600 HydrophobicContact CD1-CG1 4.45Å; L555-V600 HydrophobicContact CD1-CG2 3.69Å; V600-W604 HydrophobicContact CG1-CE3 4.04Å; V600-V605 WeakPolarHBondContact CA-O 3.25Å; V600-V606 HydrophobicContact CG2-CG2 4.19Å
601	D	89.2	Confident	89.7	Confident	17 Å²	17	34 Å²	34	9%	0.091	19%	0.187	C	C	.	.			trans	-86.4	-178.2	178.1	74.4	12	0	0	0	113.6	R549 Y603 W604 V605 K607	R549-D601 VanDerWaalsContact CD-O 3.25Å; R549-D601 WeakPolarHBondContact CD-O 3.33Å; R549-D601 PolarHBondContact NE-O 3.48Å; D601-Y603 PolarHBondContact O-N 3.33Å; D601-Y603 WeakPolarHBondContact OD1-CA 3.3Å; D601-Y603 PolarHBondContact OD1-N 2.98Å; D601-W604 PolarHBondContact O-N 3.49Å; D601-W604 VanDerWaalsContact O-N 3.17Å; D601-W604 PolarHBondContact OD1-N 2.89Å; D601-V605 PolarHBondContact N-O 3.32Å; D601-V605 VanDerWaalsContact N-O 3.11Å; D601-V605 PolarHBondContact OD1-N 3.4Å; D601-K607 WeakPolarHBondContact OD2-CE 3.22Å; D601-K607 IonicContact OD2-NZ 2.82Å; D601-K607 PolarHBondContact OD2-NZ 2.95Å
602	S	85.3	Confident	89.9	Confident	53 Å²	53	31.3 Å²	31.3	37%	0.371	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28	-178.5	49.7	0	0	0	0	113.1	T548 R549	T548-S602 VanDerWaalsContact OG1-CA 3.3Å; T548-S602 WeakPolarHBondContact OG1-CA 3.2Å; T548-S602 PolarHBondContact OG1-N 2.86Å; T548-S602 VanDerWaalsContact OG1-N 3.1Å; R549-S602 PolarHBondContact NE-O 3.49Å; R549-S602 PolarHBondContact NH2-O 3.46Å
603	Y	84.2	Confident	90	Very high	168 Å²	168	31.4 Å²	31.4	66%	0.659	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	13.2	-177.4	-56.4	-74.7	0	0	0	113.1	D601 V605	D601-Y603 PolarHBondContact O-N 3.33Å; D601-Y603 WeakPolarHBondContact OD1-CA 3.3Å; D601-Y603 PolarHBondContact OD1-N 2.98Å; Y603-V605 PolarHBondContact O-N 3.43Å
604	W	86.3	Confident	89.8	Confident	16 Å²	16	30.7 Å²	30.7	6%	0.061	15%	0.153	C	C	.	.			trans	61.8	26.3	-178.2	-63	96.7	0	0	0	114.5	R549 L555 F563 F567 F571 V600 D601 M708 M711	R549-W604 VanDerWaalsContact CZ-NE1 3.3Å; L555-W604 HydrophobicContact CD1-CZ3 4.25Å; F563-W604 HydrophobicContact CE1-CE3 4.36Å; F563-W604 AromaticContact CE1-CH2 3.97Å; F563-W604 HydrophobicContact CE1-CH2 3.97Å; F563-W604 AromaticContact CE1-CZ3 3.5Å; F563-W604 HydrophobicContact CE1-CZ3 3.5Å; F563-W604 HydrophobicContact CZ-CZ3 4.01Å; F567-W604 HydrophobicContact CE1-CB 3.89Å; F567-W604 AromaticContact CE1-CD2 3.78Å; F567-W604 HydrophobicContact CE1-CD2 3.78Å; F567-W604 HydrophobicContact CE1-CE3 4.01Å; F567-W604 AromaticContact CE1-CG 3.79Å; F567-W604 HydrophobicContact CE1-CG 3.79Å; F567-W604 HydrophobicContact CZ-CD2 4.32Å; F567-W604 HydrophobicContact CZ-CG 4.36Å; F571-W604 HydrophobicContact CE1-CE3 4.38Å; F571-W604 AromaticContact CZ-CE3 3.82Å; F571-W604 HydrophobicContact CZ-CE3 3.82Å; F571-W604 HydrophobicContact CZ-CZ3 4.28Å; V600-W604 HydrophobicContact CG1-CE3 4.04Å; D601-W604 PolarHBondContact O-N 3.49Å; D601-W604 VanDerWaalsContact O-N 3.17Å; D601-W604 PolarHBondContact OD1-N 2.89Å; W604-M708 VanDerWaalsContact CD1-CE 3.43Å; W604-M708 HydrophobicContact CG-SD 4.45Å; W604-M711 HydrophobicContact CH2-CE 3.9Å; W604-M711 HydrophobicContact CZ2-CE 3.43Å; W604-M711 VanDerWaalsContact CZ2-CE 3.43Å
605	V	90	Very high	89.7	Confident	25 Å²	25	29 Å²	29	15%	0.152	16%	0.161	C	C	.	.			trans	-87.6	128.7	171.8	-177.3	0	0	0	0	109.1	T524 V600 D601 Y603 K607	T524-V605 HydrophobicContact CG2-CG1 4.1Å; T524-V605 WeakPolarHBondContact O-CG1 3.45Å; V600-V605 WeakPolarHBondContact CA-O 3.25Å; D601-V605 PolarHBondContact N-O 3.32Å; D601-V605 VanDerWaalsContact N-O 3.11Å; D601-V605 PolarHBondContact OD1-N 3.4Å; Y603-V605 PolarHBondContact O-N 3.43Å; V605-K607 HydrophobicContact CG1-CG 4.48Å
606	V	93.9	Very high	89.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130	175.6	-177.1	0	0	0	0	108.4	N525 L552 F571 H574 I575 C598 V599 V600	N525-V606 WeakPolarHBondContact CA-O 3.41Å; N525-V606 PolarHBondContact ND2-O 2.85Å; L552-V606 HydrophobicContact CD1-CG1 4.13Å; L552-V606 HydrophobicContact CD1-CG2 4.27Å; L552-V606 HydrophobicContact CD2-CG2 4.37Å; F571-V606 HydrophobicContact CB-CG2 3.89Å; F571-V606 HydrophobicContact CD1-CG2 3.38Å; F571-V606 HydrophobicContact CE1-CG2 4.02Å; F571-V606 HydrophobicContact CG-CG2 3.71Å; H574-V606 HydrophobicContact CB-CB 3.77Å; H574-V606 HydrophobicContact CB-CG2 4.37Å; H574-V606 PolarHBondContact ND1-N 3.12Å; I575-V606 HydrophobicContact CG1-CG1 3.92Å; C598-V606 HydrophobicContact CB-CG1 3.84Å; V599-V606 CarbonylContact O-C 3.59Å; V599-V606 WeakPolarHBondContact O-CA 3.44Å; V600-V606 HydrophobicContact CG2-CG2 4.19Å
607	K	94.8	Very high	89.6	Confident	36 Å²	36	25.5 Å²	25.5	16%	0.157	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.8	-180	-65	-178.6	-173.7	169.3	0	110	T524 N525 N527 V599 D601 V605	T524-K607 WeakPolarHBondContact O-CE 3.4Å; N525-K607 WeakPolarHBondContact O-CA 3.47Å; N527-K607 HydrophobicContact CB-CB 4.05Å; V599-K607 HydrophobicContact CG2-CB 4.13Å; V599-K607 VanDerWaalsContact CG2-O 3.23Å; V599-K607 WeakPolarHBondContact CG2-O 3.34Å; V599-K607 PolarHBondContact N-O 3.47Å; V599-K607 PolarHBondContact O-N 2.73Å; D601-K607 WeakPolarHBondContact OD2-CE 3.22Å; D601-K607 IonicContact OD2-NZ 2.82Å; D601-K607 PolarHBondContact OD2-NZ 2.95Å; V605-K607 HydrophobicContact CG1-CG 4.48Å
608	L	95.2	Very high	89.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.6	178.1	-54.6	-178.3	0	0	0	110.1	N525 I526 N527 I575 I579 I582 L593 F611	N525-L608 PolarHBondContact O-N 3.39Å; I526-L608 HydrophobicContact CD1-CB 4.23Å; N527-L608 WeakPolarHBondContact CB-O 3.23Å; N527-L608 PolarHBondContact N-O 2.87Å; I575-L608 HydrophobicContact CG1-CD2 4.33Å; I575-L608 HydrophobicContact CG2-CD2 4.47Å; I579-L608 HydrophobicContact CG1-CD1 3.88Å; I582-L608 HydrophobicContact CD1-CB 4.47Å; I582-L608 HydrophobicContact CD1-CD1 4.01Å; L593-L608 HydrophobicContact CD1-CD1 4.24Å; L593-L608 HydrophobicContact CD1-CD2 3.74Å; L608-F611 WeakPolarHBondContact O-CE1 3.47Å
609	T	92.8	Very high	89	Confident	6 Å²	6	35.7 Å²	35.7	4%	0.037	18%	0.184	C	C	.	.			trans	-126.5	169.9	-179.3	-169.9	0	0	0	0	110.8	N527 W544 H590 N597 V599 F611	N527-T609 PolarHBondContact ND2-OG1 2.87Å; W544-T609 VanDerWaalsContact CD2-OG1 3.26Å; H590-T609 PolarHBondContact CE1-O 3.13Å; H590-T609 PolarHBondContact NE2-O 3Å; N597-T609 HydrophobicContact CB-CG2 4.33Å; N597-T609 WeakPolarHBondContact O-CG2 3.24Å; N597-T609 PolarHBondContact O-N 2.86Å; V599-T609 HydrophobicContact CG1-CG2 3.84Å; V599-T609 HydrophobicContact CG2-CG2 4.11Å; T609-F611 PolarHBondContact O-N 3.33Å; T609-F611 VanDerWaalsContact O-N 3.16Å
610	D	89.4	Confident	88.8	Confident	19 Å²	19	35.7 Å²	35.7	10%	0.102	18%	0.183	C	C	.	.	S	Bend	trans	61.9	22	173.7	-64.1	-73.1	0	0	0	116.3	K497 W544 N597	K497-D610 IonicContact NZ-OD1 2.82Å; K497-D610 PolarHBondContact NZ-OD1 2.99Å; K497-D610 IonicContact NZ-OD2 3.55Å; K497-D610 PolarHBondContact NZ-OD2 3.36Å; W544-D610 PolarHBondContact NE1-OD1 3.37Å; N597-D610 PolarHBondContact OD1-OD2 2.82Å
611	F	91	Very high	88.5	Confident	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.196	C	C	.	.			trans	-87.5	159.3	169.5	63.4	-83.2	0	0	0	111.4	L518 M521 I526 W544 I582 I587 H590 L608 T609 I613	L518-F611 HydrophobicContact CD1-CD2 3.84Å; L518-F611 HydrophobicContact CD1-CE2 3.23Å; L518-F611 HydrophobicContact CD1-CZ 3.63Å; M521-F611 HydrophobicContact CE-CE2 3.86Å; M521-F611 HydrophobicContact CE-CZ 4.33Å; M521-F611 HydrophobicContact SD-CE2 3.9Å; I526-F611 HydrophobicContact CD1-CE1 4.31Å; I526-F611 HydrophobicContact CD1-CZ 4.38Å; I526-F611 HydrophobicContact CG2-CE1 3.74Å; I526-F611 HydrophobicContact CG2-CZ 3.49Å; I526-F611 VanDerWaalsContact CG2-CZ 3.49Å; W544-F611 AromaticContact CH2-CD1 3.91Å; W544-F611 HydrophobicContact CH2-CD1 3.91Å; W544-F611 AromaticContact CH2-CE1 3.79Å; W544-F611 HydrophobicContact CH2-CE1 3.79Å; W544-F611 HydrophobicContact CH2-CG 4.41Å; W544-F611 HydrophobicContact CH2-CZ 4.22Å; W544-F611 HydrophobicContact CZ3-CD1 4.2Å; W544-F611 AromaticContact CZ3-CE1 3.67Å; W544-F611 HydrophobicContact CZ3-CE1 3.67Å; W544-F611 HydrophobicContact CZ3-CZ 4.13Å; I582-F611 HydrophobicContact CD1-CB 4.36Å; I582-F611 HydrophobicContact CD1-CD1 4.07Å; I582-F611 HydrophobicContact CD1-CD2 4.12Å; I582-F611 HydrophobicContact CD1-CE1 4.46Å; I582-F611 HydrophobicContact CD1-CE2 4.48Å; I582-F611 HydrophobicContact CD1-CG 3.91Å; I582-F611 HydrophobicContact CG1-CD2 4.25Å; I582-F611 HydrophobicContact CG1-CE2 4.31Å; I587-F611 HydrophobicContact CD1-CD2 3.7Å; I587-F611 HydrophobicContact CD1-CE2 3.64Å; I587-F611 HydrophobicContact CG2-CD2 4.39Å; H590-F611 HydrophobicContact CB-CB 4.34Å; L608-F611 WeakPolarHBondContact O-CE1 3.47Å; T609-F611 PolarHBondContact O-N 3.33Å; T609-F611 VanDerWaalsContact O-N 3.16Å; F611-I613 PolarHBondContact O-N 2.98Å
612	G	87.6	Confident	88.4	Confident	11 Å²	11	42.5 Å²	42.5	11%	0.113	22%	0.221	C	C	.	.	S	Bend	trans	73.8	-29.9	177.8	0	0	0	0	0	116	M514	M514-G612 VanDerWaalsContact CE-CA 3.44Å; M514-G612 WeakPolarHBondContact CE-O 3.13Å
613	I	87.5	Confident	88.5	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-88.2	-23.8	-173.1	-59.4	177.2	0	0	0	112.8	L518 F529 V542 W544 F611 G615 I616 L617	L518-I613 HydrophobicContact CD2-CD1 3.79Å; L518-I613 HydrophobicContact CD2-CG1 3.49Å; L518-I613 VanDerWaalsContact CD2-CG1 3.49Å; F529-I613 HydrophobicContact CD2-CD1 3.6Å; F529-I613 HydrophobicContact CE2-CD1 3.22Å; F529-I613 HydrophobicContact CE2-CG1 4.44Å; F529-I613 HydrophobicContact CZ-CD1 3.84Å; V542-I613 HydrophobicContact CG1-CD1 3.5Å; V542-I613 HydrophobicContact CG1-CG2 4.32Å; V542-I613 HydrophobicContact CG2-CG2 4.34Å; W544-I613 HydrophobicContact CH2-CD1 4.48Å; W544-I613 HydrophobicContact CZ2-CD1 3.52Å; W544-I613 HydrophobicContact CZ2-CG1 4.2Å; F611-I613 PolarHBondContact O-N 2.98Å; I613-G615 VanDerWaalsContact C-N 3.33Å; I613-G615 PolarHBondContact O-N 3.32Å; I613-I616 WeakPolarHBondContact O-CB 3.46Å; I613-I616 PolarHBondContact O-N 3.15Å; I613-L617 HydrophobicContact CG2-CD1 3.76Å; I613-L617 HydrophobicContact CG2-CD2 4.43Å; I613-L617 HydrophobicContact CG2-CG 3.78Å; I613-L617 PolarHBondContact O-N 3.08Å
614	K	83.9	Confident	88.6	Confident	63 Å²	63	44.1 Å²	44.1	27%	0.274	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-39.4	-174.8	-76.9	-162.8	169.1	-155.5	0	114.4	A592 L617 K618 D635	A592-K614 HydrophobicContact CB-CD 3.39Å; K614-L617 PolarHBondContact O-N 2.86Å; K614-K618 VanDerWaalsContact O-CB 3.3Å; K614-K618 WeakPolarHBondContact O-CB 3.35Å; K614-K618 PolarHBondContact O-N 3.36Å; K614-D635 IonicContact NZ-OD1 3.48Å; K614-D635 IonicContact NZ-OD2 3.33Å; K614-D635 PolarHBondContact NZ-OD2 3.39Å
615	G	84.8	Confident	88.6	Confident	51 Å²	51	44.9 Å²	44.9	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-47.7	178.3	0	0	0	0	0	111.6	I613 K618 E619	I613-G615 VanDerWaalsContact C-N 3.33Å; I613-G615 PolarHBondContact O-N 3.32Å; G615-K618 PolarHBondContact O-N 3.41Å; G615-E619 WeakPolarHBondContact O-CB 3.38Å; G615-E619 PolarHBondContact O-N 3.27Å
616	I	88	Confident	88.5	Confident	11 Å²	11	43.8 Å²	43.8	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-50.5	176.9	-63	175.4	0	0	0	110.3	F507 E511 L515 I613 K618 E619 R620	F507-I616 HydrophobicContact CD1-CG2 4.33Å; F507-I616 HydrophobicContact CE1-CG2 3.69Å; E511-I616 HydrophobicContact CB-CD1 4.44Å; E511-I616 HydrophobicContact CG-CG1 4.31Å; L515-I616 HydrophobicContact CD1-CD1 4.12Å; L515-I616 HydrophobicContact CD2-CD1 3.84Å; L515-I616 HydrophobicContact CG-CD1 3.86Å; I613-I616 WeakPolarHBondContact O-CB 3.46Å; I613-I616 PolarHBondContact O-N 3.15Å; I616-K618 PolarHBondContact O-N 3.09Å; I616-E619 PolarHBondContact O-N 3.35Å; I616-R620 HydrophobicContact CG2-CG 4.49Å; I616-R620 WeakPolarHBondContact O-CG 3.43Å; I616-R620 PolarHBondContact O-N 3.12Å
617	L	87.9	Confident	87.9	Confident	29 Å²	29	44.5 Å²	44.5	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-44	179.5	-66.6	174.4	0	0	0	112	L540 V542 I613 K614 E619 R620 T621 L626	L540-L617 HydrophobicContact CD2-CD2 3.74Å; V542-L617 HydrophobicContact CG2-CD2 4.39Å; I613-L617 HydrophobicContact CG2-CD1 3.76Å; I613-L617 HydrophobicContact CG2-CD2 4.43Å; I613-L617 HydrophobicContact CG2-CG 3.78Å; I613-L617 PolarHBondContact O-N 3.08Å; K614-L617 PolarHBondContact O-N 2.86Å; L617-E619 PolarHBondContact O-N 2.84Å; L617-R620 PolarHBondContact O-N 3.31Å; L617-T621 PolarHBondContact O-N 3.07Å; L617-T621 PolarHBondContact O-OG1 2.88Å; L617-L626 HydrophobicContact CD2-CD1 3.71Å
618	K	85.6	Confident	86.8	Confident	140 Å²	140	46.9 Å²	46.9	61%	0.609	25%	0.249	S	C	*	.	H	α-helix	trans	-62	-44.1	179.3	-176.8	177.2	-179	177.3	0	111.9	K614 G615 I616 T621 N622	K614-K618 VanDerWaalsContact O-CB 3.3Å; K614-K618 WeakPolarHBondContact O-CB 3.35Å; K614-K618 PolarHBondContact O-N 3.36Å; G615-K618 PolarHBondContact O-N 3.41Å; I616-K618 PolarHBondContact O-N 3.09Å; K618-T621 PolarHBondContact O-N 3.08Å; K618-N622 WeakPolarHBondContact O-CB 3.26Å; K618-N622 PolarHBondContact O-N 2.75Å; K618-N622 PolarHBondContact O-ND2 3.45Å
619	E	87.4	Confident	85.2	Confident	86 Å²	86	50.4 Å²	50.4	40%	0.402	27%	0.273	S	S	.	.	H	α-helix	trans	-60.3	-47	176.2	-174.3	178.6	141.2	0	0	110.8	G615 I616 L617 T621 N622 H623	G615-E619 WeakPolarHBondContact O-CB 3.38Å; G615-E619 PolarHBondContact O-N 3.27Å; I616-E619 PolarHBondContact O-N 3.35Å; L617-E619 PolarHBondContact O-N 2.84Å; E619-T621 VanDerWaalsContact C-N 3.34Å; E619-T621 PolarHBondContact O-N 2.76Å; E619-N622 WeakPolarHBondContact O-CB 3.45Å; E619-N622 PolarHBondContact O-N 3.13Å; E619-N622 VanDerWaalsContact O-N 3.09Å; E619-H623 PolarHBondContact O-CD2 3.14Å; E619-H623 PolarHBondContact O-N 3.03Å
620	R	88.5	Confident	83.3	Confident	13 Å²	13	54.2 Å²	54.2	5%	0.049	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-33.6	179	-60.8	-70.6	174.1	-83.8	-0.1	112.9	I505 T506 E511 I616 L617 K624 E625 L626	I505-R620 HydrophobicContact CG2-CG 4.49Å; T506-R620 PolarHBondContact O-NE 2.9Å; T506-R620 PolarHBondContact O-NH2 3.18Å; E511-R620 IonicContact OE1-CZ 3.75Å; E511-R620 IonicContact OE1-NH1 3.48Å; E511-R620 PolarHBondContact OE1-NH1 3.25Å; E511-R620 IonicContact OE1-NH2 3.28Å; E511-R620 PolarHBondContact OE1-NH2 3.06Å; E511-R620 IonicContact OE2-CZ 3.65Å; E511-R620 IonicContact OE2-NH2 3.31Å; E511-R620 PolarHBondContact OE2-NH2 2.7Å; I616-R620 HydrophobicContact CG2-CG 4.49Å; I616-R620 WeakPolarHBondContact O-CG 3.43Å; I616-R620 PolarHBondContact O-N 3.12Å; L617-R620 PolarHBondContact O-N 3.31Å; R620-K624 PolarHBondContact O-N 3.41Å; R620-E625 HydrophobicContact CB-CB 4.43Å; R620-E625 WeakPolarHBondContact CD-OE2 3.39Å; R620-E625 IonicContact NE-OE2 3.74Å; R620-E625 WeakPolarHBondContact O-CB 3.5Å; R620-E625 PolarHBondContact O-N 2.89Å; R620-L626 HydrophobicContact CB-CD1 3.83Å; R620-L626 HydrophobicContact CB-CG 4.02Å; R620-L626 PolarHBondContact O-N 2.77Å
621	T	85.9	Confident	81.1	Confident	45 Å²	45	58.2 Å²	58.2	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-66.1	-43.2	169	-57.1	0	0	0	0	111.5	L617 K618 E619 H623 K624 P628	L617-T621 PolarHBondContact O-N 3.07Å; L617-T621 PolarHBondContact O-OG1 2.88Å; K618-T621 PolarHBondContact O-N 3.08Å; E619-T621 VanDerWaalsContact C-N 3.34Å; E619-T621 PolarHBondContact O-N 2.76Å; T621-H623 VanDerWaalsContact C-N 3.33Å; T621-H623 PolarHBondContact O-N 3.41Å; T621-K624 WeakPolarHBondContact O-CA 3.36Å; T621-K624 PolarHBondContact O-N 2.97Å; T621-P628 HydrophobicContact CG2-CB 4.34Å
622	N	86.6	Confident	78.9	Confident	115 Å²	115	64.8 Å²	64.8	62%	0.615	37%	0.365	S	S	*	.	H	α-helix	trans	-62.5	-38.1	177.3	-71.3	-18.5	0	0	0	112.3	K618 E619 K624	K618-N622 WeakPolarHBondContact O-CB 3.26Å; K618-N622 PolarHBondContact O-N 2.75Å; K618-N622 PolarHBondContact O-ND2 3.45Å; E619-N622 WeakPolarHBondContact O-CB 3.45Å; E619-N622 PolarHBondContact O-N 3.13Å; E619-N622 VanDerWaalsContact O-N 3.09Å; N622-K624 PolarHBondContact O-N 2.79Å
623	H	87.6	Confident	77.1	Confident	109 Å²	109	68.3 Å²	68.3	51%	0.505	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	4.1	174.2	-70.2	-70.1	0	0	0	114.1	E619 T621 E625	E619-H623 PolarHBondContact O-CD2 3.14Å; E619-H623 PolarHBondContact O-N 3.03Å; T621-H623 VanDerWaalsContact C-N 3.33Å; T621-H623 PolarHBondContact O-N 3.41Å; H623-E625 HydrophobicContact CB-CG 4.09Å; H623-E625 PolarHBondContact O-N 3.28Å
624	K	86.1	Confident	75.2	Confident	145 Å²	145	71.7 Å²	71.7	63%	0.63	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	23.4	-179.1	-51.8	178.6	179.6	178	0	113.7	R620 T621 N622	R620-K624 PolarHBondContact O-N 3.41Å; T621-K624 WeakPolarHBondContact O-CA 3.36Å; T621-K624 PolarHBondContact O-N 2.97Å; N622-K624 PolarHBondContact O-N 2.79Å
625	E	87.3	Confident	73.4	Confident	33 Å²	33	70.9 Å²	70.9	15%	0.154	40%	0.4	C	S	.	.	S	Bend	trans	-82.1	-32	175.2	-58.9	-176.8	176.8	0	0	111.4	R502 R503 I505 R620 H623	R502-E625 PolarHBondContact N-O 2.65Å; R503-E625 HydrophobicContact CB-CB 4.37Å; R503-E625 HydrophobicContact CB-CG 4.22Å; R503-E625 PolarHBondContact N-O 2.86Å; I505-E625 HydrophobicContact CG1-CB 4.1Å; R620-E625 HydrophobicContact CB-CB 4.43Å; R620-E625 WeakPolarHBondContact CD-OE2 3.39Å; R620-E625 IonicContact NE-OE2 3.74Å; R620-E625 WeakPolarHBondContact O-CB 3.5Å; R620-E625 PolarHBondContact O-N 2.89Å; H623-E625 HydrophobicContact CB-CG 4.09Å; H623-E625 PolarHBondContact O-N 3.28Å
626	L	87	Confident	71.6	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-108	145.1	170.1	-65.2	175.6	0	0	0	110.5	H499 V500 Q501 I505 L540 L617 R620	H499-L626 HydrophobicContact CB-CD1 4.47Å; H499-L626 HydrophobicContact CB-CD2 4.03Å; V500-L626 WeakPolarHBondContact O-CA 3.23Å; Q501-L626 HydrophobicContact CB-CD2 4.29Å; Q501-L626 HydrophobicContact CG-CD2 4.44Å; I505-L626 HydrophobicContact CD1-CD2 3.79Å; I505-L626 HydrophobicContact CD1-CG 4.18Å; L540-L626 HydrophobicContact CB-CD2 3.83Å; L540-L626 HydrophobicContact CD1-CD2 4.31Å; L617-L626 HydrophobicContact CD2-CD1 3.71Å; R620-L626 HydrophobicContact CB-CD1 3.83Å; R620-L626 HydrophobicContact CB-CG 4.02Å; R620-L626 PolarHBondContact O-N 2.77Å
627	A	81.7	Confident	69.7	Low	15 Å²	15	73 Å²	73	12%	0.124	40%	0.404	C	S	.	.			trans	-68.1	141.7	167.8	0	0	0	0	0	109.9	V500 S629	V500-A627 HydrophobicContact CB-CB 3.82Å; V500-A627 HydrophobicContact CG1-CB 4.25Å; V500-A627 PolarHBondContact O-N 3.34Å; A627-S629 PolarHBondContact O-N 3.37Å
628	P	70.2	Confident	67.7	Low	87 Å²	87	77.8 Å²	77.8	57%	0.565	43%	0.426	S	S	*	.			trans	-59.1	127.7	170.9	23	-30.2	0	0	0	109.5	T621 S630	T621-P628 HydrophobicContact CG2-CB 4.34Å; P628-S630 PolarHBondContact O-N 3.01Å
629	S	62.1	Low	65.8	Low	74 Å²	74	80 Å²	80	52%	0.517	43%	0.432	S	S	.	.	S	Bend	trans	-79.1	105	-174.2	-156.9	0	0	0	0	109.8	A627	A627-S629 PolarHBondContact O-N 3.37Å
630	S	53.7	Low	63.7	Low	86 Å²	86	83.1 Å²	83.1	60%	0.601	44%	0.444	S	S	*	.	S	Bend	trans	54.8	154.3	-178.1	80.8	0	0	0	0	115.7	P628 F632	P628-S630 PolarHBondContact O-N 3.01Å; S630-F632 PolarHBondContact O-N 3Å
631	A	42.7	Very low	61.9	Low	103 Å²	103	87.1 Å²	87.1	85%	0.851	47%	0.466	S	S	*	.	S	Bend	trans	-66.3	-8.8	-179.2	0	0	0	0	0	113.7
632	F	45.9	Very low	60.1	Low	140 Å²	140	87.7 Å²	87.7	61%	0.614	48%	0.475	S	S	*	.			trans	-118.8	70.6	-179.6	-69.5	-98	0	0	0	109.1	S630 V634 I637	S630-F632 PolarHBondContact O-N 3Å; F632-V634 VanDerWaalsContact C-N 3.29Å; F632-V634 PolarHBondContact O-N 2.79Å; F632-I637 HydrophobicContact CB-CD1 3.92Å; F632-I637 HydrophobicContact CD1-CD1 3.49Å; F632-I637 VanDerWaalsContact CD1-CD1 3.49Å; F632-I637 HydrophobicContact CE1-CD1 4.46Å; F632-I637 HydrophobicContact CG-CD1 4.16Å
633	D	48.3	Very low	58.4	Low	84 Å²	84	88.8 Å²	88.8	45%	0.449	48%	0.476	S	S	.	.			trans	-63	99.6	162.6	177	2.9	0	0	0	106.9	D635 A636 I637	D633-D635 PolarHBondContact O-N 2.92Å; D633-D635 WeakPolarHBondContact OD1-CB 3.4Å; D633-D635 PolarHBondContact OD1-N 2.69Å; D633-A636 HydrophobicContact CB-CB 3.62Å; D633-A636 CarbonylContact O-C 3.52Å; D633-A636 WeakPolarHBondContact O-CA 3.44Å; D633-A636 WeakPolarHBondContact O-CB 3.33Å; D633-A636 PolarHBondContact O-N 3.31Å; D633-A636 PolarHBondContact OD1-N 3.03Å; D633-A636 WeakPolarHBondContact OD2-CB 3.28Å; D633-I637 WeakPolarHBondContact O-CG1 3.48Å; D633-I637 PolarHBondContact O-N 3.41Å
634	V	48.8	Very low	56.6	Low	75 Å²	75	89 Å²	89	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-57.9	-30.3	-177.6	-174.8	0	0	0	0	110.2	F632 I637 H638	F632-V634 VanDerWaalsContact C-N 3.29Å; F632-V634 PolarHBondContact O-N 2.79Å; V634-I637 PolarHBondContact O-N 2.73Å; V634-H638 WeakPolarHBondContact O-CB 3.41Å; V634-H638 PolarHBondContact O-N 2.78Å
635	D	46.3	Very low	54.9	Low	46 Å²	46	85.2 Å²	85.2	25%	0.246	47%	0.467	C	S	.	.	H	α-helix	trans	-71.7	-39.1	173.7	-68.2	-26.5	0	0	0	110.8	Y594 K614 D633 I637 H638 Y639	Y594-D635 VanDerWaalsContact CE2-OD1 3.26Å; Y594-D635 WeakPolarHBondContact CE2-OD1 3.5Å; Y594-D635 VanDerWaalsContact CZ-OD1 3.25Å; Y594-D635 PolarHBondContact OH-OD1 3.45Å; K614-D635 IonicContact NZ-OD1 3.48Å; K614-D635 IonicContact NZ-OD2 3.33Å; K614-D635 PolarHBondContact NZ-OD2 3.39Å; D633-D635 PolarHBondContact O-N 2.92Å; D633-D635 WeakPolarHBondContact OD1-CB 3.4Å; D633-D635 PolarHBondContact OD1-N 2.69Å; D635-I637 VanDerWaalsContact C-N 3.33Å; D635-H638 PolarHBondContact O-N 3.04Å; D635-Y639 WeakPolarHBondContact O-CB 3.41Å; D635-Y639 PolarHBondContact O-N 2.83Å
636	A	45.8	Very low	53.2	Low	40 Å²	40	87.6 Å²	87.6	33%	0.331	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-32.4	172.1	0	0	0	0	0	112.4	D633 K640	D633-A636 HydrophobicContact CB-CB 3.62Å; D633-A636 CarbonylContact O-C 3.52Å; D633-A636 WeakPolarHBondContact O-CA 3.44Å; D633-A636 WeakPolarHBondContact O-CB 3.33Å; D633-A636 PolarHBondContact O-N 3.31Å; D633-A636 PolarHBondContact OD1-N 3.03Å; D633-A636 WeakPolarHBondContact OD2-CB 3.28Å; A636-K640 WeakPolarHBondContact O-CA 3.44Å; A636-K640 WeakPolarHBondContact O-CB 3.5Å; A636-K640 PolarHBondContact O-N 2.87Å
637	I	48.6	Very low	51.5	Low	66 Å²	66	91.4 Å²	91.4	34%	0.338	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-44.2	172.4	-64.8	167.2	0	0	0	108.9	F632 D633 V634 D635 Y639 K640 L641	F632-I637 HydrophobicContact CB-CD1 3.92Å; F632-I637 HydrophobicContact CD1-CD1 3.49Å; F632-I637 VanDerWaalsContact CD1-CD1 3.49Å; F632-I637 HydrophobicContact CE1-CD1 4.46Å; F632-I637 HydrophobicContact CG-CD1 4.16Å; D633-I637 WeakPolarHBondContact O-CG1 3.48Å; D633-I637 PolarHBondContact O-N 3.41Å; V634-I637 PolarHBondContact O-N 2.73Å; D635-I637 VanDerWaalsContact C-N 3.33Å; I637-Y639 VanDerWaalsContact C-N 3.35Å; I637-Y639 PolarHBondContact O-N 3.44Å; I637-K640 PolarHBondContact O-N 2.96Å; I637-L641 HydrophobicContact CG2-CD1 3.99Å; I637-L641 WeakPolarHBondContact O-CA 3.48Å; I637-L641 WeakPolarHBondContact O-CB 3.42Å; I637-L641 PolarHBondContact O-N 2.94Å
638	H	46.7	Very low	50	Low	130 Å²	130	99.3 Å²	99.3	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-62	-43.1	177.8	-133.3	85.1	0	0	0	111.6	V634 D635 A642	V634-H638 WeakPolarHBondContact O-CB 3.41Å; V634-H638 PolarHBondContact O-N 2.78Å; D635-H638 PolarHBondContact O-N 3.04Å; H638-A642 WeakPolarHBondContact O-CB 3.4Å; H638-A642 PolarHBondContact O-N 3.08Å
639	Y	44.1	Very low	48.6	Very low	188 Å²	188	97.9 Å²	97.9	74%	0.737	54%	0.54	S	S	*	.	H	α-helix	trans	-71.5	-41.7	175.5	-97.8	-87.5	0	0	0	113.1	D635 I637 A642 H643	D635-Y639 WeakPolarHBondContact O-CB 3.41Å; D635-Y639 PolarHBondContact O-N 2.83Å; I637-Y639 VanDerWaalsContact C-N 3.35Å; I637-Y639 PolarHBondContact O-N 3.44Å; Y639-A642 PolarHBondContact O-N 2.89Å; Y639-H643 VanDerWaalsContact O-CB 3.23Å; Y639-H643 WeakPolarHBondContact O-CB 3.01Å; Y639-H643 PolarHBondContact O-N 3.2Å
640	K	44.8	Very low	47.9	Very low	151 Å²	151	101.8 Å²	101.8	66%	0.657	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-40.7	175.3	-92.5	-179.5	167.8	176.8	0	111.7	A636 I637 H643 L644	A636-K640 WeakPolarHBondContact O-CA 3.44Å; A636-K640 WeakPolarHBondContact O-CB 3.5Å; A636-K640 PolarHBondContact O-N 2.87Å; I637-K640 PolarHBondContact O-N 2.96Å; K640-H643 PolarHBondContact O-N 2.77Å; K640-L644 HydrophobicContact CB-CD1 4.38Å; K640-L644 WeakPolarHBondContact O-CB 3.39Å; K640-L644 WeakPolarHBondContact O-CD1 3.09Å; K640-L644 WeakPolarHBondContact O-CG 3.28Å; K640-L644 PolarHBondContact O-N 3.05Å
641	L	49	Very low	47.8	Very low	96 Å²	96	100.4 Å²	100.4	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-61.4	-50.5	172.4	-120.8	84.3	0	0	0	108.4	I637 H643 L644 L645	I637-L641 HydrophobicContact CG2-CD1 3.99Å; I637-L641 WeakPolarHBondContact O-CA 3.48Å; I637-L641 WeakPolarHBondContact O-CB 3.42Å; I637-L641 PolarHBondContact O-N 2.94Å; L641-H643 PolarHBondContact O-N 3.44Å; L641-L644 PolarHBondContact O-N 2.68Å; L641-L645 HydrophobicContact CB-CD1 3.94Å; L641-L645 HydrophobicContact CD2-CD1 3.78Å; L641-L645 HydrophobicContact CG-CD1 3.8Å; L641-L645 WeakPolarHBondContact O-CB 3.25Å; L641-L645 WeakPolarHBondContact O-CD1 3.31Å; L641-L645 WeakPolarHBondContact O-CG 3.44Å; L641-L645 PolarHBondContact O-N 2.75Å
642	A	49.1	Very low	48.2	Very low	57 Å²	57	99.1 Å²	99.1	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-58.1	-36.4	178.9	0	0	0	0	0	112.6	H638 Y639 S646	H638-A642 WeakPolarHBondContact O-CB 3.4Å; H638-A642 PolarHBondContact O-N 3.08Å; Y639-A642 PolarHBondContact O-N 2.89Å; A642-S646 WeakPolarHBondContact O-CB 3.4Å; A642-S646 PolarHBondContact O-N 3.17Å; A642-S646 PolarHBondContact O-OG 3.24Å; A642-S646 VanDerWaalsContact O-OG 3.14Å
643	H	50.6	Low	48.8	Very low	138 Å²	138	98.7 Å²	98.7	64%	0.639	54%	0.541	S	S	*	.	H	α-helix	trans	-83	-30	179.9	-157.6	-57	0	0	0	114	Y639 K640 L641 S646 S647	Y639-H643 VanDerWaalsContact O-CB 3.23Å; Y639-H643 WeakPolarHBondContact O-CB 3.01Å; Y639-H643 PolarHBondContact O-N 3.2Å; K640-H643 PolarHBondContact O-N 2.77Å; L641-H643 PolarHBondContact O-N 3.44Å; H643-S646 WeakPolarHBondContact CA-OG 3.43Å; H643-S646 PolarHBondContact O-OG 3.44Å; H643-S646 VanDerWaalsContact O-OG 3.08Å; H643-S647 PolarHBondContact O-N 2.88Å; H643-S647 PolarHBondContact O-OG 2.87Å
644	L	50.9	Low	49.5	Very low	115 Å²	115	98.8 Å²	98.8	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-77.2	-32.7	172.8	-77	162.3	0	0	0	111.1	K640 L641 S647	K640-L644 HydrophobicContact CB-CD1 4.38Å; K640-L644 WeakPolarHBondContact O-CB 3.39Å; K640-L644 WeakPolarHBondContact O-CD1 3.09Å; K640-L644 WeakPolarHBondContact O-CG 3.28Å; K640-L644 PolarHBondContact O-N 3.05Å; L641-L644 PolarHBondContact O-N 2.68Å; L644-S647 PolarHBondContact O-OG 3.42Å; L644-S647 VanDerWaalsContact O-OG 3.09Å
645	L	50.3	Low	50.6	Low	65 Å²	65	98.8 Å²	98.8	34%	0.34	54%	0.54	S	S	.	.	H	α-helix	trans	-77.9	-32.8	175.5	-68.1	161.5	0	0	0	111.1	L641 S647 S649 L653	L641-L645 HydrophobicContact CB-CD1 3.94Å; L641-L645 HydrophobicContact CD2-CD1 3.78Å; L641-L645 HydrophobicContact CG-CD1 3.8Å; L641-L645 WeakPolarHBondContact O-CB 3.25Å; L641-L645 WeakPolarHBondContact O-CD1 3.31Å; L641-L645 WeakPolarHBondContact O-CG 3.44Å; L641-L645 PolarHBondContact O-N 2.75Å; L645-S647 VanDerWaalsContact C-N 3.3Å; L645-S647 PolarHBondContact O-N 2.81Å; L645-S649 WeakPolarHBondContact O-CB 3.42Å; L645-S649 PolarHBondContact O-N 3.18Å; L645-L653 HydrophobicContact CB-CD1 4.21Å; L645-L653 HydrophobicContact CD1-CD1 3.27Å; L645-L653 HydrophobicContact CD2-CD1 3.57Å; L645-L653 HydrophobicContact CG-CD1 3.85Å
646	S	51.5	Low	51.7	Low	82 Å²	82	106 Å²	106	57%	0.573	57%	0.569	S	S	*	*	H	α-helix	trans	-72.6	-18.7	174.5	68.5	0	0	0	0	114	A642 H643	A642-S646 WeakPolarHBondContact O-CB 3.4Å; A642-S646 PolarHBondContact O-N 3.17Å; A642-S646 PolarHBondContact O-OG 3.24Å; A642-S646 VanDerWaalsContact O-OG 3.14Å; H643-S646 WeakPolarHBondContact CA-OG 3.43Å; H643-S646 PolarHBondContact O-OG 3.44Å; H643-S646 VanDerWaalsContact O-OG 3.08Å
647	S	50.7	Low	53.1	Low	81 Å²	81	106 Å²	106	57%	0.566	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-11.4	177.2	64.1	0	0	0	0	114.3	H643 L644 L645	H643-S647 PolarHBondContact O-N 2.88Å; H643-S647 PolarHBondContact O-OG 2.87Å; L644-S647 PolarHBondContact O-OG 3.42Å; L644-S647 VanDerWaalsContact O-OG 3.09Å; L645-S647 VanDerWaalsContact C-N 3.3Å; L645-S647 PolarHBondContact O-N 2.81Å
648	Q	49	Very low	54.4	Low	182 Å²	182	107.5 Å²	107.5	85%	0.85	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	-3.2	-179.2	-70.5	-170.8	-6.2	0	0	115.2
649	S	41.3	Very low	55.8	Low	56 Å²	56	110.6 Å²	110.6	39%	0.392	59%	0.594	S	S	.	*			trans	-133.5	121.9	176.9	-176.5	0	0	0	0	111.1	L645 A651	L645-S649 WeakPolarHBondContact O-CB 3.42Å; L645-S649 PolarHBondContact O-N 3.18Å; S649-A651 PolarHBondContact O-N 3.24Å; S649-A651 VanDerWaalsContact O-N 3.14Å; S649-A651 PolarHBondContact OG-O 3.18Å
650	T	47	Very low	57.2	Low	157 Å²	157	105.8 Å²	105.8	96%	0.963	60%	0.601	S	S	*	*	S	Bend	trans	-72.3	4.6	177.8	49.7	0	0	0	0	113.8
651	A	51.6	Low	58.7	Low	57 Å²	57	101.1 Å²	101.1	47%	0.471	58%	0.583	S	S	.	*	S	Bend	trans	-127.7	123.8	178.8	0	0	0	0	0	110.8	S649 L653	S649-A651 PolarHBondContact O-N 3.24Å; S649-A651 VanDerWaalsContact O-N 3.14Å; S649-A651 PolarHBondContact OG-O 3.18Å; A651-L653 PolarHBondContact O-N 3.44Å
652	P	52.2	Low	60.2	Low	76 Å²	76	100.8 Å²	100.8	49%	0.494	59%	0.589	S	S	.	*			trans	-59.1	132.3	172.7	3.1	-0.3	0	0	0	110.3	H654	P652-H654 VanDerWaalsContact C-N 3.31Å; P652-H654 WeakPolarHBondContact CB-NE2 3.31Å; P652-H654 WeakPolarHBondContact CG-NE2 3.27Å; P652-H654 PolarHBondContact O-CD2 3.24Å; P652-H654 VanDerWaalsContact O-CD2 3.28Å; P652-H654 PolarHBondContact O-N 3.37Å
653	L	58.5	Low	61.7	Low	131 Å²	131	101.2 Å²	101.2	69%	0.686	58%	0.581	S	S	*	*			trans	-68.2	90.6	172.1	-88.7	148.1	0	0	0	108.9	L645 A651	L645-L653 HydrophobicContact CB-CD1 4.21Å; L645-L653 HydrophobicContact CD1-CD1 3.27Å; L645-L653 HydrophobicContact CD2-CD1 3.57Å; L645-L653 HydrophobicContact CG-CD1 3.85Å; A651-L653 PolarHBondContact O-N 3.44Å
654	H	62.9	Low	63.4	Low	85 Å²	85	97.9 Å²	97.9	39%	0.394	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-85.9	141.9	169.6	-63.9	-64.5	0	0	0	109.6	P652 K656 W675	P652-H654 VanDerWaalsContact C-N 3.31Å; P652-H654 WeakPolarHBondContact CB-NE2 3.31Å; P652-H654 WeakPolarHBondContact CG-NE2 3.27Å; P652-H654 PolarHBondContact O-CD2 3.24Å; P652-H654 VanDerWaalsContact O-CD2 3.28Å; P652-H654 PolarHBondContact O-N 3.37Å; H654-K656 PolarHBondContact O-N 2.83Å; H654-W675 HydrophobicContact CB-CE3 4.37Å; H654-W675 PolarHBondContact CE1-O 3.49Å
655	P	70.8	Confident	65.1	Low	75 Å²	75	100 Å²	100	49%	0.487	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-54.9	135.6	165.6	-15.9	27.6	0	0	0	108.9	W675	P655-W675 HydrophobicContact CB-CH2 3.63Å; P655-W675 HydrophobicContact CB-CZ2 3.75Å; P655-W675 HydrophobicContact CB-CZ3 4.11Å; P655-W675 HydrophobicContact CG-CD2 4.15Å; P655-W675 HydrophobicContact CG-CE3 4.43Å; P655-W675 HydrophobicContact CG-CH2 3.99Å; P655-W675 HydrophobicContact CG-CZ2 3.65Å; P655-W675 HydrophobicContact CG-CZ3 4.36Å; P655-W675 WeakPolarHBondContact O-CZ3 3.37Å
656	K	71.2	Confident	66.8	Low	198 Å²	198	103.3 Å²	103.3	86%	0.861	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-83.3	130.1	169.8	-71.8	-173.4	178.7	-177.1	0	108.2	H654 P658	H654-K656 PolarHBondContact O-N 2.83Å; K656-P658 WeakPolarHBondContact O-CD 3.48Å
657	V	74.7	Confident	68.5	Low	39 Å²	39	100 Å²	100	24%	0.236	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-65	126.7	167.2	-176	0	0	0	0	106.8	E659 N661 L668 W675	V657-E659 PolarHBondContact O-N 3.41Å; V657-N661 WeakPolarHBondContact CG1-ND2 3.31Å; V657-L668 HydrophobicContact CG1-CD2 3.61Å; V657-L668 HydrophobicContact CG2-CD2 4.44Å; V657-W675 HydrophobicContact CG2-CH2 4.25Å; V657-W675 HydrophobicContact CG2-CZ3 4.28Å
658	P	76.6	Confident	70.3	Confident	98 Å²	98	97.1 Å²	97.1	64%	0.636	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-55.4	134.5	176.7	-23.5	32.6	0	0	0	111.3	K656 N661	K656-P658 WeakPolarHBondContact O-CD 3.48Å; P658-N661 PolarHBondContact O-ND2 2.9Å
659	E	75.1	Confident	72.2	Confident	196 Å²	196	90.6 Å²	90.6	92%	0.916	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	143.7	171.4	-66	-177.7	-176.7	0	0	109.8	V657	V657-E659 PolarHBondContact O-N 3.41Å
660	G	73.5	Confident	74.5	Confident	86 Å²	86	88.7 Å²	88.7	89%	0.887	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	15.4	-178.9	0	0	0	0	0	115.9
661	N	76.4	Confident	76.4	Confident	53 Å²	53	83.9 Å²	83.9	28%	0.283	47%	0.468	S	S	.	.			trans	-71	152.6	173	70.5	78.7	0	0	0	112	V657 P658 F663 L668	V657-N661 WeakPolarHBondContact CG1-ND2 3.31Å; P658-N661 PolarHBondContact O-ND2 2.9Å; N661-F663 HydrophobicContact CB-CD2 3.94Å; N661-F663 HydrophobicContact CB-CE2 4.46Å; N661-F663 PolarHBondContact OD1-N 3.35Å; N661-L668 WeakPolarHBondContact OD1-CD1 3.18Å
662	S	79.6	Confident	78	Confident	89 Å²	89	86.4 Å²	86.4	62%	0.622	47%	0.47	S	S	*	.			trans	-95.5	14.4	-177.5	58	0	0	0	0	114.1
663	F	82.4	Confident	79.8	Confident	67 Å²	67	86 Å²	86	29%	0.294	46%	0.462	S	S	.	.	S	Bend	trans	-87.1	149	-175.3	-61.3	-64.4	0	0	0	112	N661 L667 L668 E695 F696	N661-F663 HydrophobicContact CB-CD2 3.94Å; N661-F663 HydrophobicContact CB-CE2 4.46Å; N661-F663 PolarHBondContact OD1-N 3.35Å; F663-L667 HydrophobicContact CB-CD2 4.28Å; F663-L667 HydrophobicContact CD1-CD2 3.88Å; F663-L667 HydrophobicContact CG-CD2 4.19Å; F663-L668 HydrophobicContact CB-CD2 4.06Å; F663-L668 HydrophobicContact CB-CG 4.27Å; F663-E695 WeakPolarHBondContact CA-OE1 3.44Å; F663-E695 HydrophobicContact CD1-CG 4.29Å; F663-F696 HydrophobicContact CE1-CE1 4.16Å; F663-F696 HydrophobicContact CE1-CZ 4Å
664	T	86	Confident	81.1	Confident	67 Å²	67	81.8 Å²	81.8	41%	0.411	44%	0.443	S	S	.	.			trans	-65.9	149.5	177	70.3	0	0	0	0	111.9	R666 L667 L668 E695	T664-R666 PolarHBondContact O-N 3.47Å; T664-L667 PolarHBondContact O-N 3.39Å; T664-L667 PolarHBondContact OG1-N 3.45Å; T664-L668 PolarHBondContact O-N 2.98Å; T664-L668 VanDerWaalsContact O-N 3.08Å; T664-E695 WeakPolarHBondContact CB-OE2 3.33Å; T664-E695 WeakPolarHBondContact CG2-OE2 3.3Å; T664-E695 PolarHBondContact N-OE1 2.82Å; T664-E695 VanDerWaalsContact N-OE1 3.14Å; T664-E695 PolarHBondContact N-OE2 3.33Å; T664-E695 PolarHBondContact OG1-OE2 3.27Å
665	M	86	Confident	82.1	Confident	159 Å²	159	81.7 Å²	81.7	78%	0.783	44%	0.439	S	S	*	.	H	α-helix	trans	-54.9	-27.7	175	-71.6	-68.2	-91.4	0	0	112.9	L668 S669	M665-L668 HydrophobicContact SD-CD1 4.32Å; M665-S669 VanDerWaalsContact O-CB 3.25Å; M665-S669 WeakPolarHBondContact O-CB 3.24Å; M665-S669 PolarHBondContact O-N 3.42Å
666	R	86.8	Confident	82.7	Confident	136 Å²	136	81.3 Å²	81.3	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-65.5	-49.4	175.3	-178.6	179.5	-69.6	133.9	-0.1	111.4	T664 S669 I670	T664-R666 PolarHBondContact O-N 3.47Å; R666-S669 PolarHBondContact O-N 3.17Å; R666-I670 WeakPolarHBondContact O-CG1 3.37Å; R666-I670 PolarHBondContact O-N 2.95Å
667	L	87	Confident	83	Confident	12 Å²	12	81 Å²	81	6%	0.063	43%	0.427	C	S	.	.	H	α-helix	trans	-64.2	-44.9	178.5	179.1	61.4	0	0	0	110.5	F663 T664 S669 I670 I671 V692 E695 F696	F663-L667 HydrophobicContact CB-CD2 4.28Å; F663-L667 HydrophobicContact CD1-CD2 3.88Å; F663-L667 HydrophobicContact CG-CD2 4.19Å; T664-L667 PolarHBondContact O-N 3.39Å; T664-L667 PolarHBondContact OG1-N 3.45Å; L667-S669 VanDerWaalsContact C-N 3.32Å; L667-S669 PolarHBondContact O-N 2.59Å; L667-I670 PolarHBondContact O-N 3.39Å; L667-I670 VanDerWaalsContact O-N 3.1Å; L667-I671 HydrophobicContact CD1-CD1 4.21Å; L667-I671 HydrophobicContact CD1-CG1 4.27Å; L667-I671 HydrophobicContact CD2-CD1 4.44Å; L667-I671 HydrophobicContact CG-CD1 3.9Å; L667-I671 HydrophobicContact CG-CG1 4.4Å; L667-I671 WeakPolarHBondContact O-CG1 3.48Å; L667-I671 PolarHBondContact O-N 2.68Å; L667-V692 HydrophobicContact CD1-CG2 4.46Å; L667-E695 HydrophobicContact CB-CB 4.44Å; L667-E695 HydrophobicContact CB-CG 4.42Å; L667-E695 HydrophobicContact CD2-CB 4.08Å; L667-E695 HydrophobicContact CD2-CG 3.63Å; L667-F696 HydrophobicContact CD2-CE2 4.21Å; L667-F696 HydrophobicContact CD2-CZ 4.35Å
668	L	87.5	Confident	83.3	Confident	21 Å²	21	86.4 Å²	86.4	11%	0.11	45%	0.447	C	S	.	.	H	α-helix	trans	-57.8	-44.8	177.3	-65.1	-176.9	0	0	0	112.1	V657 N661 F663 T664 M665 I670 I671 Q672	V657-L668 HydrophobicContact CG1-CD2 3.61Å; V657-L668 HydrophobicContact CG2-CD2 4.44Å; N661-L668 WeakPolarHBondContact OD1-CD1 3.18Å; F663-L668 HydrophobicContact CB-CD2 4.06Å; F663-L668 HydrophobicContact CB-CG 4.27Å; T664-L668 PolarHBondContact O-N 2.98Å; T664-L668 VanDerWaalsContact O-N 3.08Å; M665-L668 HydrophobicContact SD-CD1 4.32Å; L668-I670 VanDerWaalsContact C-N 3.32Å; L668-I670 PolarHBondContact O-N 2.82Å; L668-I671 PolarHBondContact O-N 3.19Å; L668-Q672 WeakPolarHBondContact O-CG 2.98Å; L668-Q672 PolarHBondContact O-N 3.21Å
669	S	88.6	Confident	83.6	Confident	45 Å²	45	86.5 Å²	86.5	32%	0.315	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-40	175.9	177	0	0	0	0	112.1	M665 R666 L667 Q673	M665-S669 VanDerWaalsContact O-CB 3.25Å; M665-S669 WeakPolarHBondContact O-CB 3.24Å; M665-S669 PolarHBondContact O-N 3.42Å; R666-S669 PolarHBondContact O-N 3.17Å; L667-S669 VanDerWaalsContact C-N 3.32Å; L667-S669 PolarHBondContact O-N 2.59Å; S669-Q673 WeakPolarHBondContact O-CB 3.45Å; S669-Q673 WeakPolarHBondContact O-CG 3.45Å; S669-Q673 PolarHBondContact O-N 3.28Å; S669-Q673 PolarHBondContact OG-NE2 3.49Å; S669-Q673 VanDerWaalsContact OG-NE2 3.1Å
670	I	89.3	Confident	84	Confident	16 Å²	16	82.2 Å²	82.2	8%	0.082	45%	0.446	C	S	.	.	H	α-helix	trans	-69.3	-42	179.5	-71.2	-71.7	0	0	0	111.1	R666 L667 L668 Q672 Q673 C674 P683 K687 I688 A691	R666-I670 WeakPolarHBondContact O-CG1 3.37Å; R666-I670 PolarHBondContact O-N 2.95Å; L667-I670 PolarHBondContact O-N 3.39Å; L667-I670 VanDerWaalsContact O-N 3.1Å; L668-I670 VanDerWaalsContact C-N 3.32Å; L668-I670 PolarHBondContact O-N 2.82Å; I670-Q672 VanDerWaalsContact C-N 3.32Å; I670-Q672 PolarHBondContact O-N 2.89Å; I670-Q673 PolarHBondContact O-N 3.24Å; I670-C674 PolarHBondContact O-N 3.16Å; I670-C674 PolarHBondContact O-SG 3.3Å; I670-P683 HydrophobicContact CD1-CB 4.15Å; I670-P683 HydrophobicContact CD1-CG 4.42Å; I670-P683 HydrophobicContact CG2-CG 4.32Å; I670-K687 HydrophobicContact CD1-CB 4.39Å; I670-I688 HydrophobicContact CG2-CB 4.42Å; I670-I688 HydrophobicContact CG2-CG1 4.02Å; I670-I688 HydrophobicContact CG2-CG2 4.5Å; I670-A691 HydrophobicContact CB-CB 4.2Å; I670-A691 HydrophobicContact CG1-CB 3.77Å; I670-A691 HydrophobicContact CG2-CB 4.28Å
671	I	87.2	Confident	84.7	Confident	55 Å²	55	80.6 Å²	80.6	28%	0.282	42%	0.424	S	S	.	.	H	α-helix	trans	-57.5	-47.4	174.9	-68.7	168.9	0	0	0	110.4	L667 L668 Q673 C674 W675	L667-I671 HydrophobicContact CD1-CD1 4.21Å; L667-I671 HydrophobicContact CD1-CG1 4.27Å; L667-I671 HydrophobicContact CD2-CD1 4.44Å; L667-I671 HydrophobicContact CG-CD1 3.9Å; L667-I671 HydrophobicContact CG-CG1 4.4Å; L667-I671 WeakPolarHBondContact O-CG1 3.48Å; L667-I671 PolarHBondContact O-N 2.68Å; L668-I671 PolarHBondContact O-N 3.19Å; I671-Q673 VanDerWaalsContact C-N 3.34Å; I671-Q673 PolarHBondContact O-N 3.26Å; I671-C674 WeakPolarHBondContact O-CB 3.29Å; I671-C674 PolarHBondContact O-N 3.23Å; I671-W675 HydrophobicContact CG2-CD2 4.49Å; I671-W675 HydrophobicContact CG2-CH2 3.5Å; I671-W675 HydrophobicContact CG2-CZ2 3.42Å; I671-W675 VanDerWaalsContact CG2-CZ2 3.42Å; I671-W675 HydrophobicContact CG2-CZ3 4.08Å
672	Q	86.7	Confident	85.4	Confident	110 Å²	110	83.7 Å²	83.7	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-62.7	-40	177.1	-71.5	173.7	-16.6	0	0	112.2	L668 I670 C674 W675	L668-Q672 WeakPolarHBondContact O-CG 2.98Å; L668-Q672 PolarHBondContact O-N 3.21Å; I670-Q672 VanDerWaalsContact C-N 3.32Å; I670-Q672 PolarHBondContact O-N 2.89Å; Q672-C674 VanDerWaalsContact C-N 3.32Å; Q672-C674 PolarHBondContact O-N 2.85Å; Q672-W675 HydrophobicContact CG-CZ3 4.42Å; Q672-W675 PolarHBondContact O-N 2.69Å
673	Q	88.1	Confident	85.9	Confident	68 Å²	68	80.3 Å²	80.3	32%	0.318	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-32	176.3	-71.4	171.7	25.4	0	0	112.6	S669 I670 I671 W675 L676 P683	S669-Q673 WeakPolarHBondContact O-CB 3.45Å; S669-Q673 WeakPolarHBondContact O-CG 3.45Å; S669-Q673 PolarHBondContact O-N 3.28Å; S669-Q673 PolarHBondContact OG-NE2 3.49Å; S669-Q673 VanDerWaalsContact OG-NE2 3.1Å; I670-Q673 PolarHBondContact O-N 3.24Å; I671-Q673 VanDerWaalsContact C-N 3.34Å; I671-Q673 PolarHBondContact O-N 3.26Å; Q673-W675 PolarHBondContact O-N 2.94Å; Q673-L676 HydrophobicContact CB-CD1 4.16Å; Q673-L676 HydrophobicContact CG-CD1 4.32Å; Q673-L676 WeakPolarHBondContact O-CB 3.26Å; Q673-L676 WeakPolarHBondContact O-CD1 3.41Å; Q673-L676 VanDerWaalsContact O-CG 3.31Å; Q673-L676 WeakPolarHBondContact O-CG 3.46Å; Q673-L676 PolarHBondContact O-N 3.44Å; Q673-P683 HydrophobicContact CB-CG 4.11Å
674	C	86.6	Confident	86.3	Confident	43 Å²	43	80 Å²	80	29%	0.291	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-26	174.7	-70.3	0	0	0	0	113	I670 I671 Q672 R682	I670-C674 PolarHBondContact O-N 3.16Å; I670-C674 PolarHBondContact O-SG 3.3Å; I671-C674 WeakPolarHBondContact O-CB 3.29Å; I671-C674 PolarHBondContact O-N 3.23Å; Q672-C674 VanDerWaalsContact C-N 3.32Å; Q672-C674 PolarHBondContact O-N 2.85Å; C674-R682 WeakPolarHBondContact O-CD 3.36Å; C674-R682 PolarHBondContact O-NE 2.87Å
675	W	83.8	Confident	86.4	Confident	82 Å²	82	78.1 Å²	78.1	31%	0.311	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.6	178.8	-58.9	-32	0	0	0	114.3	H654 P655 V657 I671 Q672 Q673 Y677	H654-W675 HydrophobicContact CB-CE3 4.37Å; H654-W675 PolarHBondContact CE1-O 3.49Å; P655-W675 HydrophobicContact CB-CH2 3.63Å; P655-W675 HydrophobicContact CB-CZ2 3.75Å; P655-W675 HydrophobicContact CB-CZ3 4.11Å; P655-W675 HydrophobicContact CG-CD2 4.15Å; P655-W675 HydrophobicContact CG-CE3 4.43Å; P655-W675 HydrophobicContact CG-CH2 3.99Å; P655-W675 HydrophobicContact CG-CZ2 3.65Å; P655-W675 HydrophobicContact CG-CZ3 4.36Å; P655-W675 WeakPolarHBondContact O-CZ3 3.37Å; V657-W675 HydrophobicContact CG2-CH2 4.25Å; V657-W675 HydrophobicContact CG2-CZ3 4.28Å; I671-W675 HydrophobicContact CG2-CD2 4.49Å; I671-W675 HydrophobicContact CG2-CH2 3.5Å; I671-W675 HydrophobicContact CG2-CZ2 3.42Å; I671-W675 VanDerWaalsContact CG2-CZ2 3.42Å; I671-W675 HydrophobicContact CG2-CZ3 4.08Å; Q672-W675 HydrophobicContact CG-CZ3 4.42Å; Q672-W675 PolarHBondContact O-N 2.69Å; Q673-W675 PolarHBondContact O-N 2.94Å; W675-Y677 PolarHBondContact O-N 3.19Å
676	L	82.9	Confident	86.7	Confident	67 Å²	67	77.1 Å²	77.1	35%	0.351	40%	0.402	S	S	.	.			trans	-56.9	137.3	-179.8	-70.9	170.3	0	0	0	111.4	Q673 K678 A681 R682	Q673-L676 HydrophobicContact CB-CD1 4.16Å; Q673-L676 HydrophobicContact CG-CD1 4.32Å; Q673-L676 WeakPolarHBondContact O-CB 3.26Å; Q673-L676 WeakPolarHBondContact O-CD1 3.41Å; Q673-L676 VanDerWaalsContact O-CG 3.31Å; Q673-L676 WeakPolarHBondContact O-CG 3.46Å; Q673-L676 PolarHBondContact O-N 3.44Å; L676-K678 PolarHBondContact O-N 3.49Å; L676-A681 HydrophobicContact CB-CB 4.39Å; L676-A681 HydrophobicContact CD1-CB 3.92Å; L676-A681 WeakPolarHBondContact CD1-O 3.45Å; L676-R682 HydrophobicContact CB-CG 4.33Å; L676-R682 PolarHBondContact O-NE 2.92Å; L676-R682 PolarHBondContact O-NH2 2.91Å
677	Y	77.4	Confident	86.9	Confident	192 Å²	192	77 Å²	77	75%	0.753	41%	0.405	S	S	*	.	S	Bend	trans	-62.2	-45.5	-177	-178.5	-96.7	0	0	0	112.1	W675 P679	W675-Y677 PolarHBondContact O-N 3.19Å; Y677-P679 VanDerWaalsContact O-CD 3.29Å; Y677-P679 WeakPolarHBondContact O-CD 3.36Å
678	K	81.7	Confident	87	Confident	152 Å²	152	78.1 Å²	78.1	66%	0.661	41%	0.41	S	S	*	.	S	Bend	trans	-72.6	117.3	178.3	-70.3	-174.5	178.4	-180	0	110.1	L676 A680 A681	L676-K678 PolarHBondContact O-N 3.49Å; K678-A680 VanDerWaalsContact C-N 3.26Å; K678-A680 PolarHBondContact O-N 2.91Å; K678-A681 HydrophobicContact CB-CB 4.13Å; K678-A681 PolarHBondContact O-N 2.78Å
679	P	82.6	Confident	87.1	Confident	101 Å²	101	78.8 Å²	78.8	66%	0.656	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-57.2	-37.8	-179	-26.6	35.6	0	0	0	113.4	Y677 A681 R682	Y677-P679 VanDerWaalsContact O-CD 3.29Å; Y677-P679 WeakPolarHBondContact O-CD 3.36Å; P679-A681 PolarHBondContact O-N 2.54Å; P679-R682 WeakPolarHBondContact O-CB 3.4Å; P679-R682 PolarHBondContact O-N 2.89Å
680	A	84.8	Confident	87.1	Confident	105 Å²	105	79.9 Å²	79.9	87%	0.868	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18.3	179	0	0	0	0	0	114.3	K678	K678-A680 VanDerWaalsContact C-N 3.26Å; K678-A680 PolarHBondContact O-N 2.91Å
681	A	87.4	Confident	87.1	Confident	52 Å²	52	79.3 Å²	79.3	43%	0.43	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-88.8	-10.5	177.4	0	0	0	0	0	112.7	L676 K678 P679	L676-A681 HydrophobicContact CB-CB 4.39Å; L676-A681 HydrophobicContact CD1-CB 3.92Å; L676-A681 WeakPolarHBondContact CD1-O 3.45Å; K678-A681 HydrophobicContact CB-CB 4.13Å; K678-A681 PolarHBondContact O-N 2.78Å; P679-A681 PolarHBondContact O-N 2.54Å
682	R	90.3	Very high	87	Confident	119 Å²	119	77 Å²	77	45%	0.449	40%	0.404	S	S	.	.	S	Bend	trans	-72.2	147.9	177.6	-62.7	-179.7	-174.7	171.5	0.4	110	C674 L676 P679	C674-R682 WeakPolarHBondContact O-CD 3.36Å; C674-R682 PolarHBondContact O-NE 2.87Å; L676-R682 HydrophobicContact CB-CG 4.33Å; L676-R682 PolarHBondContact O-NE 2.92Å; L676-R682 PolarHBondContact O-NH2 2.91Å; P679-R682 WeakPolarHBondContact O-CB 3.4Å; P679-R682 PolarHBondContact O-N 2.89Å
683	P	90.5	Very high	86.9	Confident	17 Å²	17	75 Å²	75	11%	0.11	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-67.9	141.4	-178.3	27.3	-29.8	0	0	0	110	I670 Q673 K687 I688	I670-P683 HydrophobicContact CD1-CB 4.15Å; I670-P683 HydrophobicContact CD1-CG 4.42Å; I670-P683 HydrophobicContact CG2-CG 4.32Å; Q673-P683 HydrophobicContact CB-CG 4.11Å; P683-K687 HydrophobicContact CB-CB 4.17Å; P683-K687 HydrophobicContact CB-CD 4.48Å; P683-I688 HydrophobicContact CB-CG1 4.27Å; P683-I688 HydrophobicContact CG-CD1 4.17Å; P683-I688 HydrophobicContact CG-CG1 3.88Å
684	A	90.3	Very high	86.8	Confident	62 Å²	62	77.9 Å²	77.9	51%	0.512	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-60.4	149	169.6	0	0	0	0	0	110.1	I686 K687 I688	A684-I686 PolarHBondContact O-N 2.81Å; A684-K687 WeakPolarHBondContact O-CB 2.96Å; A684-K687 PolarHBondContact O-N 3.14Å; A684-I688 PolarHBondContact O-N 3.38Å
685	L	89.6	Confident	86.6	Confident	26 Å²	26	76.7 Å²	76.7	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-54.9	-34.3	-175.5	-168.9	65	0	0	0	112.7	V576 I579 N580 K687 I688 T689	V576-L685 HydrophobicContact CG1-CD1 4.18Å; V576-L685 HydrophobicContact CG1-CG 4.48Å; I579-L685 HydrophobicContact CB-CD2 4.49Å; I579-L685 HydrophobicContact CG2-CD1 4.09Å; I579-L685 HydrophobicContact CG2-CD2 4.02Å; N580-L685 HydrophobicContact CB-CD2 3.48Å; N580-L685 VanDerWaalsContact CB-CD2 3.48Å; L685-K687 VanDerWaalsContact C-N 3.3Å; L685-K687 PolarHBondContact O-N 3.38Å; L685-I688 HydrophobicContact CD1-CD1 4.29Å; L685-I688 WeakPolarHBondContact O-CB 3.39Å; L685-I688 PolarHBondContact O-N 3.35Å; L685-I688 VanDerWaalsContact O-N 3.07Å; L685-T689 PolarHBondContact O-N 3.33Å; L685-T689 PolarHBondContact O-OG1 3.49Å
686	I	90.6	Very high	86.4	Confident	139 Å²	139	73.3 Å²	73.3	71%	0.713	38%	0.382	S	S	*	.	H	α-helix	trans	-55.5	-42.6	175	-61.3	167.8	0	0	0	111.8	A684 T689 D690	A684-I686 PolarHBondContact O-N 2.81Å; I686-T689 PolarHBondContact O-N 3.32Å; I686-D690 WeakPolarHBondContact O-CB 3.26Å; I686-D690 PolarHBondContact O-N 3.37Å
687	K	91.3	Very high	85.6	Confident	132 Å²	132	72.5 Å²	72.5	57%	0.574	39%	0.39	S	S	*	.	H	α-helix	trans	-68.9	-35.8	177.6	-70.2	-172.8	177	-178.3	0	111.9	I670 P683 A684 L685 A691	I670-K687 HydrophobicContact CD1-CB 4.39Å; P683-K687 HydrophobicContact CB-CB 4.17Å; P683-K687 HydrophobicContact CB-CD 4.48Å; A684-K687 WeakPolarHBondContact O-CB 2.96Å; A684-K687 PolarHBondContact O-N 3.14Å; L685-K687 VanDerWaalsContact C-N 3.3Å; L685-K687 PolarHBondContact O-N 3.38Å; K687-A691 WeakPolarHBondContact O-CB 3.45Å; K687-A691 PolarHBondContact O-N 3.22Å
688	I	90.9	Very high	84.6	Confident	36 Å²	36	71.5 Å²	71.5	19%	0.185	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-47.7	175.5	-56.6	174.6	0	0	0	109.5	V576 I670 P683 A684 L685 D690 A691 V692	V576-I688 HydrophobicContact CG2-CG2 4.37Å; I670-I688 HydrophobicContact CG2-CB 4.42Å; I670-I688 HydrophobicContact CG2-CG1 4.02Å; I670-I688 HydrophobicContact CG2-CG2 4.5Å; P683-I688 HydrophobicContact CB-CG1 4.27Å; P683-I688 HydrophobicContact CG-CD1 4.17Å; P683-I688 HydrophobicContact CG-CG1 3.88Å; A684-I688 PolarHBondContact O-N 3.38Å; L685-I688 HydrophobicContact CD1-CD1 4.29Å; L685-I688 WeakPolarHBondContact O-CB 3.39Å; L685-I688 PolarHBondContact O-N 3.35Å; L685-I688 VanDerWaalsContact O-N 3.07Å; I688-D690 PolarHBondContact O-N 2.72Å; I688-A691 PolarHBondContact O-N 3.26Å; I688-V692 HydrophobicContact CG2-CG2 4.43Å; I688-V692 WeakPolarHBondContact O-CG2 3.3Å; I688-V692 PolarHBondContact O-N 2.96Å
689	T	88.2	Confident	83.2	Confident	36 Å²	36	71.8 Å²	71.8	22%	0.221	40%	0.401	C	S	.	.	H	α-helix	trans	-58.3	-46.1	176.7	-53.1	0	0	0	0	111.8	V576 L685 I686 V692 N693	V576-T689 HydrophobicContact CG1-CG2 4.38Å; V576-T689 WeakPolarHBondContact CG1-OG1 3.36Å; L685-T689 PolarHBondContact O-N 3.33Å; L685-T689 PolarHBondContact O-OG1 3.49Å; I686-T689 PolarHBondContact O-N 3.32Å; T689-V692 PolarHBondContact O-N 2.93Å; T689-N693 VanDerWaalsContact O-CB 3.29Å; T689-N693 WeakPolarHBondContact O-CB 3.28Å; T689-N693 VanDerWaalsContact O-CG 3.24Å; T689-N693 PolarHBondContact O-N 3.4Å; T689-N693 PolarHBondContact O-ND2 2.93Å
690	D	88.7	Confident	81.8	Confident	68 Å²	68	69.8 Å²	69.8	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-43.1	176.8	-174.9	39.2	0	0	0	111.8	I686 I688 N693 R694	I686-D690 WeakPolarHBondContact O-CB 3.26Å; I686-D690 PolarHBondContact O-N 3.37Å; I688-D690 PolarHBondContact O-N 2.72Å; D690-N693 PolarHBondContact O-N 2.92Å; D690-R694 WeakPolarHBondContact O-CB 3.38Å; D690-R694 VanDerWaalsContact O-CG 3.32Å; D690-R694 WeakPolarHBondContact O-CG 3.33Å; D690-R694 PolarHBondContact O-N 3.32Å; D690-R694 IonicContact OD1-CZ 3.51Å; D690-R694 IonicContact OD1-NE 3.97Å; D690-R694 PolarHBondContact OD1-NE 3.45Å; D690-R694 IonicContact OD1-NH2 3.81Å; D690-R694 PolarHBondContact OD1-NH2 3.36Å; D690-R694 IonicContact OD2-CZ 2.77Å; D690-R694 VanDerWaalsContact OD2-CZ 3.31Å; D690-R694 IonicContact OD2-NE 3.69Å; D690-R694 PolarHBondContact OD2-NE 2.91Å; D690-R694 IonicContact OD2-NH2 3.82Å; D690-R694 PolarHBondContact OD2-NH2 2.82Å
691	A	88.6	Confident	80.1	Confident	3 Å²	3	75 Å²	75	3%	0.025	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-43.2	178.9	0	0	0	0	0	112.5	I670 K687 I688 R694 E695	I670-A691 HydrophobicContact CB-CB 4.2Å; I670-A691 HydrophobicContact CG1-CB 3.77Å; I670-A691 HydrophobicContact CG2-CB 4.28Å; K687-A691 WeakPolarHBondContact O-CB 3.45Å; K687-A691 PolarHBondContact O-N 3.22Å; I688-A691 PolarHBondContact O-N 3.26Å; A691-R694 PolarHBondContact O-N 3.13Å; A691-E695 WeakPolarHBondContact O-CB 3.46Å; A691-E695 PolarHBondContact O-N 2.91Å
692	V	86.4	Confident	78.6	Confident	6 Å²	6	74.2 Å²	74.2	4%	0.036	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-46.1	175.4	171.4	0	0	0	0	110.7	I572 K573 L667 I688 T689 R694 E695 F696	I572-V692 HydrophobicContact CB-CG1 4.45Å; I572-V692 HydrophobicContact CG2-CB 4.39Å; I572-V692 HydrophobicContact CG2-CG1 3.72Å; I572-V692 HydrophobicContact CG2-CG2 3.68Å; K573-V692 HydrophobicContact CG-CG1 4.04Å; L667-V692 HydrophobicContact CD1-CG2 4.46Å; I688-V692 HydrophobicContact CG2-CG2 4.43Å; I688-V692 WeakPolarHBondContact O-CG2 3.3Å; I688-V692 PolarHBondContact O-N 2.96Å; T689-V692 PolarHBondContact O-N 2.93Å; V692-R694 VanDerWaalsContact C-N 3.3Å; V692-R694 PolarHBondContact O-N 3.34Å; V692-E695 PolarHBondContact O-N 3.16Å; V692-F696 HydrophobicContact CG1-CD2 3.92Å; V692-F696 HydrophobicContact CG1-CE2 4.34Å; V692-F696 VanDerWaalsContact O-CD2 3.29Å; V692-F696 WeakPolarHBondContact O-CD2 3.48Å; V692-F696 PolarHBondContact O-N 3.47Å
693	N	84.7	Confident	77.4	Confident	68 Å²	68	72.3 Å²	72.3	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-35.1	179.9	-75.9	-18.4	0	0	0	112.2	T689 D690 G697	T689-N693 VanDerWaalsContact O-CB 3.29Å; T689-N693 WeakPolarHBondContact O-CB 3.28Å; T689-N693 VanDerWaalsContact O-CG 3.24Å; T689-N693 PolarHBondContact O-N 3.4Å; T689-N693 PolarHBondContact O-ND2 2.93Å; D690-N693 PolarHBondContact O-N 2.92Å; N693-G697 WeakPolarHBondContact O-CA 3.37Å; N693-G697 PolarHBondContact O-N 3.24Å
694	R	84.9	Confident	76.2	Confident	129 Å²	129	73.8 Å²	73.8	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-74.9	-37.7	175.6	-69.9	-177.8	-164.2	-157.2	7.6	113.1	D690 A691 V692 F696	D690-R694 WeakPolarHBondContact O-CB 3.38Å; D690-R694 VanDerWaalsContact O-CG 3.32Å; D690-R694 WeakPolarHBondContact O-CG 3.33Å; D690-R694 PolarHBondContact O-N 3.32Å; D690-R694 IonicContact OD1-CZ 3.51Å; D690-R694 IonicContact OD1-NE 3.97Å; D690-R694 PolarHBondContact OD1-NE 3.45Å; D690-R694 IonicContact OD1-NH2 3.81Å; D690-R694 PolarHBondContact OD1-NH2 3.36Å; D690-R694 IonicContact OD2-CZ 2.77Å; D690-R694 VanDerWaalsContact OD2-CZ 3.31Å; D690-R694 IonicContact OD2-NE 3.69Å; D690-R694 PolarHBondContact OD2-NE 2.91Å; D690-R694 IonicContact OD2-NH2 3.82Å; D690-R694 PolarHBondContact OD2-NH2 2.82Å; A691-R694 PolarHBondContact O-N 3.13Å; V692-R694 VanDerWaalsContact C-N 3.3Å; V692-R694 PolarHBondContact O-N 3.34Å; R694-F696 VanDerWaalsContact C-N 3.34Å
695	E	83.2	Confident	75.2	Confident	19 Å²	19	76 Å²	76	9%	0.089	40%	0.398	C	S	.	.	H	α-helix	trans	-64.1	-42.2	178.1	-175.3	68.7	-155.5	0	0	111.8	R565 F663 T664 L667 A691 V692	R565-E695 IonicContact NH2-OE1 3.42Å; R565-E695 PolarHBondContact NH2-OE1 2.95Å; R565-E695 VanDerWaalsContact NH2-OE1 3.11Å; F663-E695 WeakPolarHBondContact CA-OE1 3.44Å; F663-E695 HydrophobicContact CD1-CG 4.29Å; T664-E695 WeakPolarHBondContact CB-OE2 3.33Å; T664-E695 WeakPolarHBondContact CG2-OE2 3.3Å; T664-E695 PolarHBondContact N-OE1 2.82Å; T664-E695 VanDerWaalsContact N-OE1 3.14Å; T664-E695 PolarHBondContact N-OE2 3.33Å; T664-E695 PolarHBondContact OG1-OE2 3.27Å; L667-E695 HydrophobicContact CB-CB 4.44Å; L667-E695 HydrophobicContact CB-CG 4.42Å; L667-E695 HydrophobicContact CD2-CB 4.08Å; L667-E695 HydrophobicContact CD2-CG 3.63Å; A691-E695 WeakPolarHBondContact O-CB 3.46Å; A691-E695 PolarHBondContact O-N 2.91Å; V692-E695 PolarHBondContact O-N 3.16Å
696	F	80	Confident	74.2	Confident	11 Å²	11	78.6 Å²	78.6	5%	0.048	41%	0.411	C	S	.	.	H	α-helix	trans	-112.1	2.7	-170.8	-57.1	-76.4	0	0	0	114.2	R565 S569 I572 F663 L667 V692 R694	R565-F696 HydrophobicContact CG-CD1 4.19Å; R565-F696 HydrophobicContact CG-CE1 4.14Å; S569-F696 WeakPolarHBondContact OG-CB 3.41Å; I572-F696 HydrophobicContact CD1-CE2 3.9Å; I572-F696 HydrophobicContact CD1-CZ 3.97Å; F663-F696 HydrophobicContact CE1-CE1 4.16Å; F663-F696 HydrophobicContact CE1-CZ 4Å; L667-F696 HydrophobicContact CD2-CE2 4.21Å; L667-F696 HydrophobicContact CD2-CZ 4.35Å; V692-F696 HydrophobicContact CG1-CD2 3.92Å; V692-F696 HydrophobicContact CG1-CE2 4.34Å; V692-F696 VanDerWaalsContact O-CD2 3.29Å; V692-F696 WeakPolarHBondContact O-CD2 3.48Å; V692-F696 PolarHBondContact O-N 3.47Å; R694-F696 VanDerWaalsContact C-N 3.34Å
697	G	65.7	Low	73.1	Confident	50 Å²	50	73.4 Å²	73.4	52%	0.515	38%	0.384	S	S	.	.	S	Bend	trans	-98	-7.8	-171	0	0	0	0	0	116.4	N693	N693-G697 WeakPolarHBondContact O-CA 3.37Å; N693-G697 PolarHBondContact O-N 3.24Å
698	Q	56.8	Low	72.1	Confident	171 Å²	171	68.9 Å²	68.9	80%	0.799	37%	0.366	S	S	*	.	S	Bend	trans	-108.1	-20.3	-174.4	-83.2	-174.1	-28.9	0	0	116.9
699	D	52.4	Low	71.3	Confident	157 Å²	157	71 Å²	71	84%	0.84	38%	0.376	S	S	*	.			trans	-147.5	70.1	-173.3	-77.3	-53.7	0	0	0	113.6
700	V	53.7	Low	70.4	Confident	59 Å²	59	75.5 Å²	75.5	36%	0.358	40%	0.395	S	S	.	.			trans	-131	98.9	165.4	-174.2	0	0	0	0	110.1	N566 G702	N566-V700 HydrophobicContact CB-CG1 4.17Å; N566-V700 WeakPolarHBondContact ND2-CG1 3.25Å; N566-V700 WeakPolarHBondContact OD1-CG1 3.48Å; V700-G702 PolarHBondContact O-N 2.92Å
701	K	48.5	Very low	69.5	Low	214 Å²	214	73.6 Å²	73.6	93%	0.93	38%	0.384	S	S	*	.			trans	-68.7	121.5	161.3	-72.9	-177.7	177.3	-179.9	0	107.8
702	G	56.2	Low	68.6	Low	36 Å²	36	77.9 Å²	77.9	37%	0.371	41%	0.406	S	S	.	.	S	Bend	trans	115.2	123.9	-178.7	0	0	0	0	0	111.7	V700 D706	V700-G702 PolarHBondContact O-N 2.92Å; G702-D706 VanDerWaalsContact CA-OD2 3.3Å; G702-D706 WeakPolarHBondContact CA-OD2 3.19Å
703	T	63.6	Low	68	Low	79 Å²	79	82.3 Å²	82.3	49%	0.485	43%	0.429	S	S	.	.			trans	-66.1	160.3	170.8	62.3	0	0	0	0	110.2	I705 D706 Q707	T703-I705 PolarHBondContact O-N 3.26Å; T703-I705 VanDerWaalsContact O-N 3.09Å; T703-I705 WeakPolarHBondContact OG1-CB 3.4Å; T703-D706 PolarHBondContact N-OD2 3.39Å; T703-D706 WeakPolarHBondContact O-CB 3.27Å; T703-D706 PolarHBondContact O-N 2.85Å; T703-D706 VanDerWaalsContact OG1-CG 3.26Å; T703-D706 PolarHBondContact OG1-N 3.44Å; T703-D706 PolarHBondContact OG1-OD2 2.88Å; T703-Q707 PolarHBondContact O-N 3.42Å
704	L	66.2	Low	67.3	Low	48 Å²	48	85.8 Å²	85.8	25%	0.251	44%	0.443	S	S	.	.	H	α-helix	trans	-51.5	-32.9	170.3	-172.6	82.5	0	0	0	111	F567 T570 D706 Q707 M708	F567-L704 HydrophobicContact CD1-CD1 4.13Å; F567-L704 HydrophobicContact CE1-CD1 4.16Å; F567-L704 HydrophobicContact CG-CD1 4.5Å; T570-L704 HydrophobicContact CG2-CD1 3.84Å; T570-L704 HydrophobicContact CG2-CD2 4.23Å; T570-L704 WeakPolarHBondContact OG1-CD1 3.47Å; L704-D706 VanDerWaalsContact C-N 3.35Å; L704-Q707 PolarHBondContact O-N 3.33Å; L704-M708 HydrophobicContact CD2-SD 4.27Å; L704-M708 HydrophobicContact CG-SD 4.39Å; L704-M708 WeakPolarHBondContact O-CG 3.31Å; L704-M708 PolarHBondContact O-N 3.36Å
705	I	70.2	Confident	66.4	Low	110 Å²	110	87.1 Å²	87.1	56%	0.564	45%	0.45	S	S	*	.	H	α-helix	trans	-63.6	-40.5	178.3	-56.2	172.5	0	0	0	110.5	T703 Q707 M708 I709	T703-I705 PolarHBondContact O-N 3.26Å; T703-I705 VanDerWaalsContact O-N 3.09Å; T703-I705 WeakPolarHBondContact OG1-CB 3.4Å; I705-Q707 PolarHBondContact O-N 3.43Å; I705-M708 CarbonylContact O-C 3.59Å; I705-M708 WeakPolarHBondContact O-CA 3.48Å; I705-M708 WeakPolarHBondContact O-CB 3.33Å; I705-M708 PolarHBondContact O-N 3.12Å; I705-M708 VanDerWaalsContact O-N 3.1Å; I705-I709 HydrophobicContact CG2-CD1 4.01Å; I705-I709 HydrophobicContact CG2-CG1 4.39Å; I705-I709 VanDerWaalsContact O-CG1 3.3Å; I705-I709 WeakPolarHBondContact O-CG1 3.46Å; I705-I709 PolarHBondContact O-N 3.22Å
706	D	68.3	Low	65.9	Low	79 Å²	79	88.4 Å²	88.4	42%	0.422	46%	0.461	S	S	.	.	H	α-helix	trans	-64.5	-40.4	179.1	-59.5	-43.7	0	0	0	111.9	G702 T703 L704 M708 I709 E710	G702-D706 VanDerWaalsContact CA-OD2 3.3Å; G702-D706 WeakPolarHBondContact CA-OD2 3.19Å; T703-D706 PolarHBondContact N-OD2 3.39Å; T703-D706 WeakPolarHBondContact O-CB 3.27Å; T703-D706 PolarHBondContact O-N 2.85Å; T703-D706 VanDerWaalsContact OG1-CG 3.26Å; T703-D706 PolarHBondContact OG1-N 3.44Å; T703-D706 PolarHBondContact OG1-OD2 2.88Å; L704-D706 VanDerWaalsContact C-N 3.35Å; D706-M708 VanDerWaalsContact C-N 3.34Å; D706-I709 PolarHBondContact O-N 3.33Å; D706-E710 PolarHBondContact O-N 2.84Å
707	Q	67.5	Low	65.6	Low	30 Å²	30	90.5 Å²	90.5	14%	0.14	48%	0.48	C	S	.	.	H	α-helix	trans	-70.5	-30.7	172.7	-71	-163	-23.1	0	0	112.8	N566 F567 T703 L704 I705 I709 M711	N566-Q707 VanDerWaalsContact CB-CD 3.49Å; N566-Q707 HydrophobicContact CB-CG 4.39Å; N566-Q707 WeakPolarHBondContact ND2-CG 3.16Å; N566-Q707 PolarHBondContact ND2-NE2 2.93Å; N566-Q707 PolarHBondContact OD1-NE2 3.33Å; F567-Q707 HydrophobicContact CD2-CB 3.96Å; F567-Q707 HydrophobicContact CE2-CB 3.62Å; T703-Q707 PolarHBondContact O-N 3.42Å; L704-Q707 PolarHBondContact O-N 3.33Å; I705-Q707 PolarHBondContact O-N 3.43Å; Q707-I709 VanDerWaalsContact C-N 3.34Å; Q707-M711 PolarHBondContact O-N 3.44Å
708	M	69.9	Low	66.1	Low	38 Å²	38	92 Å²	92	19%	0.187	48%	0.476	C	S	.	.	H	α-helix	trans	-65.1	-40.8	171.1	-75.3	176.5	60.4	0	0	111	F567 W604 L704 I705 D706 M711 I712	F567-M708 HydrophobicContact CE1-CG 4.32Å; F567-M708 HydrophobicContact CE2-CG 4.37Å; F567-M708 HydrophobicContact CZ-CG 3.53Å; W604-M708 VanDerWaalsContact CD1-CE 3.43Å; W604-M708 HydrophobicContact CG-SD 4.45Å; L704-M708 HydrophobicContact CD2-SD 4.27Å; L704-M708 HydrophobicContact CG-SD 4.39Å; L704-M708 WeakPolarHBondContact O-CG 3.31Å; L704-M708 PolarHBondContact O-N 3.36Å; I705-M708 CarbonylContact O-C 3.59Å; I705-M708 WeakPolarHBondContact O-CA 3.48Å; I705-M708 WeakPolarHBondContact O-CB 3.33Å; I705-M708 PolarHBondContact O-N 3.12Å; I705-M708 VanDerWaalsContact O-N 3.1Å; D706-M708 VanDerWaalsContact C-N 3.34Å; M708-M711 PolarHBondContact O-N 2.9Å; M708-I712 WeakPolarHBondContact O-CB 3.42Å; M708-I712 WeakPolarHBondContact O-CD1 3.47Å; M708-I712 WeakPolarHBondContact O-CG1 3.27Å; M708-I712 PolarHBondContact O-N 2.88Å
709	I	73.9	Confident	66.8	Low	79 Å²	79	87.2 Å²	87.2	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-48.2	175.3	-68.5	165.2	0	0	0	109.4	I705 D706 Q707 M711 I712 D713	I705-I709 HydrophobicContact CG2-CD1 4.01Å; I705-I709 HydrophobicContact CG2-CG1 4.39Å; I705-I709 VanDerWaalsContact O-CG1 3.3Å; I705-I709 WeakPolarHBondContact O-CG1 3.46Å; I705-I709 PolarHBondContact O-N 3.22Å; D706-I709 PolarHBondContact O-N 3.33Å; Q707-I709 VanDerWaalsContact C-N 3.34Å; I709-M711 PolarHBondContact O-N 2.94Å; I709-I712 CarbonylContact O-C 3.04Å; I709-I712 WeakPolarHBondContact O-CA 3.3Å; I709-I712 PolarHBondContact O-N 3.25Å; I709-D713 WeakPolarHBondContact O-CB 3.14Å; I709-D713 PolarHBondContact O-N 3.28Å
710	E	69.7	Low	67.9	Low	131 Å²	131	86.5 Å²	86.5	61%	0.612	45%	0.447	S	S	*	.	H	α-helix	trans	-59.8	-42.8	178.5	-167.6	178.3	-168.9	0	0	112.4	D706 D713 E714	D706-E710 PolarHBondContact O-N 2.84Å; E710-D713 PolarHBondContact O-N 2.9Å; E710-E714 WeakPolarHBondContact O-CB 3.31Å; E710-E714 PolarHBondContact O-N 3.4Å
711	M	68.9	Low	69	Low	28 Å²	28	89.9 Å²	89.9	14%	0.138	46%	0.459	C	S	.	.	H	α-helix	trans	-67.4	-34.5	173.6	-76.2	-164.2	-47.4	0	0	112.9	F567 W604 Q707 M708 I709 Y715	F567-M711 HydrophobicContact CD2-CE 4.18Å; F567-M711 HydrophobicContact CE1-CE 4.01Å; F567-M711 HydrophobicContact CE2-CE 3.27Å; F567-M711 HydrophobicContact CE2-SD 4.03Å; F567-M711 HydrophobicContact CZ-CE 3.16Å; F567-M711 HydrophobicContact CZ-SD 4.43Å; W604-M711 HydrophobicContact CH2-CE 3.9Å; W604-M711 HydrophobicContact CZ2-CE 3.43Å; W604-M711 VanDerWaalsContact CZ2-CE 3.43Å; Q707-M711 PolarHBondContact O-N 3.44Å; M708-M711 PolarHBondContact O-N 2.9Å; I709-M711 PolarHBondContact O-N 2.94Å; M711-Y715 WeakPolarHBondContact O-CB 3.45Å; M711-Y715 PolarHBondContact O-N 3Å
712	I	71.1	Confident	70.4	Confident	94 Å²	94	83.3 Å²	83.3	48%	0.482	43%	0.433	S	S	.	.	H	α-helix	trans	-68.6	-40.4	175.7	-74.1	166	0	0	0	110.1	M708 I709 Y715 S716	M708-I712 WeakPolarHBondContact O-CB 3.42Å; M708-I712 WeakPolarHBondContact O-CD1 3.47Å; M708-I712 WeakPolarHBondContact O-CG1 3.27Å; M708-I712 PolarHBondContact O-N 2.88Å; I709-I712 CarbonylContact O-C 3.04Å; I709-I712 WeakPolarHBondContact O-CA 3.3Å; I709-I712 PolarHBondContact O-N 3.25Å; I712-Y715 PolarHBondContact O-N 2.8Å; I712-S716 WeakPolarHBondContact O-CB 3.36Å; I712-S716 PolarHBondContact O-N 3.35Å; I712-S716 PolarHBondContact O-OG 3Å
713	D	72.1	Confident	71.3	Confident	99 Å²	99	85.5 Å²	85.5	53%	0.529	44%	0.439	S	S	.	.	H	α-helix	trans	-66.8	-44.5	176.2	-73.5	-14.1	0	0	0	110.6	I709 E710 Y715 S716 A717	I709-D713 WeakPolarHBondContact O-CB 3.14Å; I709-D713 PolarHBondContact O-N 3.28Å; E710-D713 PolarHBondContact O-N 2.9Å; D713-Y715 PolarHBondContact O-N 3.44Å; D713-S716 PolarHBondContact O-N 3.45Å; D713-A717 WeakPolarHBondContact O-CB 3.32Å; D713-A717 PolarHBondContact O-N 2.88Å
714	E	70.9	Confident	72	Confident	141 Å²	141	84.6 Å²	84.6	66%	0.659	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-43.6	175	-173	-178	-173.5	0	0	111.3	E710 S716 A717 N718	E710-E714 WeakPolarHBondContact O-CB 3.31Å; E710-E714 PolarHBondContact O-N 3.4Å; E714-S716 VanDerWaalsContact C-N 3.34Å; E714-A717 PolarHBondContact O-N 3.14Å; E714-N718 VanDerWaalsContact O-CB 3.3Å; E714-N718 WeakPolarHBondContact O-CB 3.45Å; E714-N718 PolarHBondContact O-N 2.89Å
715	Y	66.2	Low	72.6	Confident	157 Å²	157	87.6 Å²	87.6	62%	0.616	45%	0.453	S	S	*	.	H	α-helix	trans	-66.8	-35.6	175.7	-169.6	-103.9	0	0	0	112	M711 I712 D713 L719	M711-Y715 WeakPolarHBondContact O-CB 3.45Å; M711-Y715 PolarHBondContact O-N 3Å; I712-Y715 PolarHBondContact O-N 2.8Å; D713-Y715 PolarHBondContact O-N 3.44Å; Y715-L719 HydrophobicContact CD1-CD1 3.55Å; Y715-L719 HydrophobicContact CD1-CG 4.32Å; Y715-L719 HydrophobicContact CE1-CD1 3.22Å; Y715-L719 HydrophobicContact CE1-CG 3.99Å; Y715-L719 VanDerWaalsContact O-CB 3.27Å; Y715-L719 WeakPolarHBondContact O-CB 3.5Å; Y715-L719 PolarHBondContact O-N 3.01Å
716	S	73.1	Confident	72.9	Confident	46 Å²	46	90.1 Å²	90.1	32%	0.322	46%	0.455	S	S	.	.	H	α-helix	trans	-70.6	-42.2	176.6	-60.6	0	0	0	0	111.2	I712 D713 E714 L719 E720	I712-S716 WeakPolarHBondContact O-CB 3.36Å; I712-S716 PolarHBondContact O-N 3.35Å; I712-S716 PolarHBondContact O-OG 3Å; D713-S716 PolarHBondContact O-N 3.45Å; E714-S716 VanDerWaalsContact C-N 3.34Å; S716-L719 CarbonylContact O-C 3.58Å; S716-L719 PolarHBondContact O-N 3.47Å; S716-E720 WeakPolarHBondContact O-CB 3.29Å; S716-E720 WeakPolarHBondContact O-CG 3.21Å; S716-E720 PolarHBondContact O-N 3.08Å
717	A	73.8	Confident	73.5	Confident	54 Å²	54	89.4 Å²	89.4	45%	0.446	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-41.9	174.1	0	0	0	0	0	111.7	D713 E714 E720 Q721	D713-A717 WeakPolarHBondContact O-CB 3.32Å; D713-A717 PolarHBondContact O-N 2.88Å; E714-A717 PolarHBondContact O-N 3.14Å; A717-E720 PolarHBondContact O-N 3.23Å; A717-Q721 WeakPolarHBondContact O-CB 3.21Å; A717-Q721 PolarHBondContact O-N 3.43Å
718	N	74.5	Confident	74.2	Confident	82 Å²	82	96 Å²	96	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-41	174.4	-168	2.3	0	0	0	111.3	E714 Q721 I722	E714-N718 VanDerWaalsContact O-CB 3.3Å; E714-N718 WeakPolarHBondContact O-CB 3.45Å; E714-N718 PolarHBondContact O-N 2.89Å; N718-Q721 PolarHBondContact O-N 3.38Å; N718-I722 VanDerWaalsContact O-CG1 3.27Å; N718-I722 WeakPolarHBondContact O-CG1 3.41Å; N718-I722 PolarHBondContact O-N 3.4Å
719	L	72.1	Confident	74.6	Confident	70 Å²	70	97.8 Å²	97.8	37%	0.366	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-42.6	172.4	-93.5	168	0	0	0	112.2	Y715 S716 Q721 I722 V723	Y715-L719 HydrophobicContact CD1-CD1 3.55Å; Y715-L719 HydrophobicContact CD1-CG 4.32Å; Y715-L719 HydrophobicContact CE1-CD1 3.22Å; Y715-L719 HydrophobicContact CE1-CG 3.99Å; Y715-L719 VanDerWaalsContact O-CB 3.27Å; Y715-L719 WeakPolarHBondContact O-CB 3.5Å; Y715-L719 PolarHBondContact O-N 3.01Å; S716-L719 CarbonylContact O-C 3.58Å; S716-L719 PolarHBondContact O-N 3.47Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 2.9Å; L719-I722 PolarHBondContact O-N 2.96Å; L719-V723 VanDerWaalsContact O-CB 3.24Å; L719-V723 WeakPolarHBondContact O-CB 3.35Å; L719-V723 WeakPolarHBondContact O-CG2 3.13Å; L719-V723 PolarHBondContact O-N 2.9Å
720	E	75.5	Confident	74.9	Confident	142 Å²	142	99.8 Å²	99.8	66%	0.664	50%	0.496	S	S	*	.	H	α-helix	trans	-60.7	-40.7	175.2	-78.9	178.5	-177	0	0	110.9	S716 A717 A724	S716-E720 WeakPolarHBondContact O-CB 3.29Å; S716-E720 WeakPolarHBondContact O-CG 3.21Å; S716-E720 PolarHBondContact O-N 3.08Å; A717-E720 PolarHBondContact O-N 3.23Å; E720-A724 WeakPolarHBondContact O-CB 3.49Å; E720-A724 PolarHBondContact O-N 2.98Å
721	Q	76.6	Confident	75.3	Confident	130 Å²	130	99.2 Å²	99.2	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-64.6	-47.9	174.5	-174.3	177.5	-12.4	0	0	111.7	A717 N718 L719 V723 A724 E725	A717-Q721 WeakPolarHBondContact O-CB 3.21Å; A717-Q721 PolarHBondContact O-N 3.43Å; N718-Q721 PolarHBondContact O-N 3.38Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 2.9Å; Q721-V723 VanDerWaalsContact C-N 3.35Å; Q721-V723 PolarHBondContact O-N 3.09Å; Q721-A724 PolarHBondContact O-N 3.36Å; Q721-E725 WeakPolarHBondContact O-CB 3.41Å; Q721-E725 PolarHBondContact O-N 3.02Å
722	I	77.4	Confident	75.8	Confident	77 Å²	77	103.2 Å²	103.2	40%	0.395	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-42.5	177.5	-68	166.5	0	0	0	110.6	N718 L719 E725 R726	N718-I722 VanDerWaalsContact O-CG1 3.27Å; N718-I722 WeakPolarHBondContact O-CG1 3.41Å; N718-I722 PolarHBondContact O-N 3.4Å; L719-I722 PolarHBondContact O-N 2.96Å; I722-E725 PolarHBondContact O-N 3.04Å; I722-R726 HydrophobicContact CG2-CG 4.27Å; I722-R726 WeakPolarHBondContact O-CB 2.98Å; I722-R726 VanDerWaalsContact O-CG 3.26Å; I722-R726 WeakPolarHBondContact O-CG 3.44Å; I722-R726 PolarHBondContact O-N 3.49Å
723	V	75.6	Confident	76.1	Confident	81 Å²	81	103.8 Å²	103.8	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-46.4	177.7	169.3	0	0	0	0	109.7	L719 Q721 E725 R726 T727	L719-V723 VanDerWaalsContact O-CB 3.24Å; L719-V723 WeakPolarHBondContact O-CB 3.35Å; L719-V723 WeakPolarHBondContact O-CG2 3.13Å; L719-V723 PolarHBondContact O-N 2.9Å; Q721-V723 VanDerWaalsContact C-N 3.35Å; Q721-V723 PolarHBondContact O-N 3.09Å; V723-E725 VanDerWaalsContact C-N 3.32Å; V723-E725 PolarHBondContact O-N 3.19Å; V723-R726 PolarHBondContact O-N 2.84Å; V723-T727 VanDerWaalsContact O-CB 3.31Å; V723-T727 WeakPolarHBondContact O-CB 3.48Å; V723-T727 PolarHBondContact O-N 3.41Å; V723-T727 PolarHBondContact O-OG1 3.33Å
724	A	78.5	Confident	76.4	Confident	60 Å²	60	104.1 Å²	104.1	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-40	176.5	0	0	0	0	0	112.3	E720 Q721 R728	E720-A724 WeakPolarHBondContact O-CB 3.49Å; E720-A724 PolarHBondContact O-N 2.98Å; Q721-A724 PolarHBondContact O-N 3.36Å; A724-R728 WeakPolarHBondContact O-CB 3.37Å; A724-R728 PolarHBondContact O-N 2.82Å
725	E	79.4	Confident	76.8	Confident	112 Å²	112	100.1 Å²	100.1	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-48.7	175.1	-171.3	169.7	-158.1	0	0	111.4	Q721 I722 V723 T727 R728 E729	Q721-E725 WeakPolarHBondContact O-CB 3.41Å; Q721-E725 PolarHBondContact O-N 3.02Å; I722-E725 PolarHBondContact O-N 3.04Å; V723-E725 VanDerWaalsContact C-N 3.32Å; V723-E725 PolarHBondContact O-N 3.19Å; E725-T727 PolarHBondContact O-N 3Å; E725-R728 WeakPolarHBondContact O-CB 3.46Å; E725-R728 PolarHBondContact O-N 2.86Å; E725-E729 WeakPolarHBondContact O-CG 3.28Å; E725-E729 PolarHBondContact O-N 3.29Å
726	R	76.7	Confident	77.4	Confident	162 Å²	162	97.3 Å²	97.3	61%	0.611	50%	0.502	S	S	*	.	H	α-helix	trans	-63.8	-37.7	176.6	-72	-57.7	-165.6	171.9	1.7	113.1	I722 V723 R728 E729 L730	I722-R726 HydrophobicContact CG2-CG 4.27Å; I722-R726 WeakPolarHBondContact O-CB 2.98Å; I722-R726 VanDerWaalsContact O-CG 3.26Å; I722-R726 WeakPolarHBondContact O-CG 3.44Å; I722-R726 PolarHBondContact O-N 3.49Å; V723-R726 PolarHBondContact O-N 2.84Å; R726-R728 VanDerWaalsContact C-N 3.35Å; R726-E729 WeakPolarHBondContact CD-OE2 3.26Å; R726-E729 IonicContact CZ-OE2 2.73Å; R726-E729 IonicContact NE-OE2 3.61Å; R726-E729 IonicContact NH1-OE2 3.58Å; R726-E729 PolarHBondContact NH1-OE2 3.45Å; R726-E729 PolarHBondContact O-N 3.31Å; R726-L730 VanDerWaalsContact O-CB 3.31Å; R726-L730 WeakPolarHBondContact O-CB 3.41Å; R726-L730 PolarHBondContact O-N 2.78Å
727	T	80.6	Confident	77.7	Confident	64 Å²	64	99.6 Å²	99.6	39%	0.393	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-41	174.5	-62.7	0	0	0	0	110.4	V723 E725 L730 E731	V723-T727 VanDerWaalsContact O-CB 3.31Å; V723-T727 WeakPolarHBondContact O-CB 3.48Å; V723-T727 PolarHBondContact O-N 3.41Å; V723-T727 PolarHBondContact O-OG1 3.33Å; E725-T727 PolarHBondContact O-N 3Å; T727-L730 PolarHBondContact O-N 3.18Å; T727-E731 WeakPolarHBondContact O-CB 3.45Å; T727-E731 WeakPolarHBondContact O-CG 3.24Å; T727-E731 PolarHBondContact O-N 3.43Å
728	R	81.7	Confident	77.9	Confident	169 Å²	169	99.6 Å²	99.6	64%	0.638	51%	0.505	S	S	*	.	H	α-helix	trans	-65.7	-41	175.2	-173.2	178.8	179.1	164.6	0.7	112.5	A724 E725 R726 Q732	A724-R728 WeakPolarHBondContact O-CB 3.37Å; A724-R728 PolarHBondContact O-N 2.82Å; E725-R728 WeakPolarHBondContact O-CB 3.46Å; E725-R728 PolarHBondContact O-N 2.86Å; R726-R728 VanDerWaalsContact C-N 3.35Å; R728-Q732 WeakPolarHBondContact O-CG 3.36Å; R728-Q732 PolarHBondContact O-N 2.87Å; R728-Q732 VanDerWaalsContact O-N 3.08Å
729	E	79.4	Confident	78.2	Confident	76 Å²	76	99.8 Å²	99.8	36%	0.355	51%	0.506	S	S	.	.	H	α-helix	trans	-59.6	-47.7	171.4	-72.6	179.3	170.3	0	0	110.8	E725 R726 E731 Q732 D733	E725-E729 WeakPolarHBondContact O-CG 3.28Å; E725-E729 PolarHBondContact O-N 3.29Å; R726-E729 WeakPolarHBondContact CD-OE2 3.26Å; R726-E729 IonicContact CZ-OE2 2.73Å; R726-E729 IonicContact NE-OE2 3.61Å; R726-E729 IonicContact NH1-OE2 3.58Å; R726-E729 PolarHBondContact NH1-OE2 3.45Å; R726-E729 PolarHBondContact O-N 3.31Å; E729-E731 PolarHBondContact O-N 3.45Å; E729-Q732 WeakPolarHBondContact O-CB 3.32Å; E729-Q732 PolarHBondContact O-N 2.94Å; E729-D733 PolarHBondContact O-N 3.05Å
730	L	78.8	Confident	78.6	Confident	120 Å²	120	101.1 Å²	101.1	63%	0.628	51%	0.512	S	S	*	.	H	α-helix	trans	-62.9	-41.3	179.6	-167.2	81.6	0	0	0	112.2	R726 T727 Q732 D733 M734	R726-L730 VanDerWaalsContact O-CB 3.31Å; R726-L730 WeakPolarHBondContact O-CB 3.41Å; R726-L730 PolarHBondContact O-N 2.78Å; T727-L730 PolarHBondContact O-N 3.18Å; L730-Q732 VanDerWaalsContact C-N 3.34Å; L730-D733 PolarHBondContact O-N 2.83Å; L730-M734 WeakPolarHBondContact O-CB 3.42Å; L730-M734 PolarHBondContact O-N 2.99Å
731	E	78.9	Confident	79	Confident	120 Å²	120	96.8 Å²	96.8	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-39.7	175.2	-78.3	178.7	177	0	0	111.9	T727 E729 S735	T727-E731 WeakPolarHBondContact O-CB 3.45Å; T727-E731 WeakPolarHBondContact O-CG 3.24Å; T727-E731 PolarHBondContact O-N 3.43Å; E729-E731 PolarHBondContact O-N 3.45Å; E731-S735 WeakPolarHBondContact O-CB 3.47Å; E731-S735 PolarHBondContact O-N 3.43Å
732	Q	78.9	Confident	79.2	Confident	112 Å²	112	93.5 Å²	93.5	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-64.9	-48.3	174.3	-74.2	178.6	-7.1	0	0	111.4	R728 E729 L730 M734 S735 V736	R728-Q732 WeakPolarHBondContact O-CG 3.36Å; R728-Q732 PolarHBondContact O-N 2.87Å; R728-Q732 VanDerWaalsContact O-N 3.08Å; E729-Q732 WeakPolarHBondContact O-CB 3.32Å; E729-Q732 PolarHBondContact O-N 2.94Å; L730-Q732 VanDerWaalsContact C-N 3.34Å; Q732-M734 VanDerWaalsContact C-N 3.33Å; Q732-M734 PolarHBondContact O-N 3.1Å; Q732-S735 WeakPolarHBondContact O-CB 3.4Å; Q732-S735 PolarHBondContact O-N 2.66Å; Q732-V736 WeakPolarHBondContact O-CG2 3.5Å; Q732-V736 PolarHBondContact O-N 3.27Å
733	D	77.2	Confident	79.2	Confident	106 Å²	106	95.5 Å²	95.5	57%	0.567	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-39.2	178.1	-77.6	-10	0	0	0	112	E729 L730 V736 T737	E729-D733 PolarHBondContact O-N 3.05Å; L730-D733 PolarHBondContact O-N 2.83Å; D733-V736 PolarHBondContact O-N 3.1Å; D733-T737 WeakPolarHBondContact O-CB 3.49Å; D733-T737 PolarHBondContact O-N 2.92Å; D733-T737 PolarHBondContact O-OG1 2.79Å
734	M	79.1	Confident	79.4	Confident	106 Å²	106	97 Å²	97	52%	0.522	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-43.6	175.1	-170.9	174.2	71.1	0	0	111	L730 Q732 V736 T737 E738	L730-M734 WeakPolarHBondContact O-CB 3.42Å; L730-M734 PolarHBondContact O-N 2.99Å; Q732-M734 VanDerWaalsContact C-N 3.33Å; Q732-M734 PolarHBondContact O-N 3.1Å; M734-V736 VanDerWaalsContact C-N 3.34Å; M734-V736 PolarHBondContact O-N 3.18Å; M734-T737 PolarHBondContact O-N 3.48Å; M734-E738 WeakPolarHBondContact O-CG 3.44Å; M734-E738 PolarHBondContact O-N 2.85Å
735	S	78.1	Confident	79.6	Confident	57 Å²	57	94.4 Å²	94.4	40%	0.399	47%	0.466	S	S	.	.	H	α-helix	trans	-61.7	-40.6	175.4	-173.7	0	0	0	0	112.3	E731 Q732 E738 N739	E731-S735 WeakPolarHBondContact O-CB 3.47Å; E731-S735 PolarHBondContact O-N 3.43Å; Q732-S735 WeakPolarHBondContact O-CB 3.4Å; Q732-S735 PolarHBondContact O-N 2.66Å; S735-E738 PolarHBondContact O-N 3.04Å; S735-N739 WeakPolarHBondContact O-CB 2.82Å; S735-N739 VanDerWaalsContact O-CG 3.26Å; S735-N739 PolarHBondContact O-N 3.27Å; S735-N739 PolarHBondContact O-ND2 2.88Å
736	V	79.9	Confident	79.7	Confident	98 Å²	98	89.3 Å²	89.3	59%	0.594	44%	0.443	S	S	*	.	H	α-helix	trans	-61.9	-45	174.1	172.3	0	0	0	0	110.7	Q732 D733 M734 N739 L740	Q732-V736 WeakPolarHBondContact O-CG2 3.5Å; Q732-V736 PolarHBondContact O-N 3.27Å; D733-V736 PolarHBondContact O-N 3.1Å; M734-V736 VanDerWaalsContact C-N 3.34Å; M734-V736 PolarHBondContact O-N 3.18Å; V736-N739 PolarHBondContact O-N 3.3Å; V736-L740 PolarHBondContact O-N 3.33Å
737	T	78.6	Confident	79.9	Confident	93 Å²	93	88.4 Å²	88.4	57%	0.571	44%	0.444	S	S	*	.	H	α-helix	trans	-64.7	-42.4	178.8	-55.1	0	0	0	0	111.9	D733 M734 L740 L741	D733-T737 WeakPolarHBondContact O-CB 3.49Å; D733-T737 PolarHBondContact O-N 2.92Å; D733-T737 PolarHBondContact O-OG1 2.79Å; M734-T737 PolarHBondContact O-N 3.48Å; T737-L740 WeakPolarHBondContact O-CB 3.5Å; T737-L740 PolarHBondContact O-N 2.83Å; T737-L741 PolarHBondContact O-N 3.39Å
738	E	79.1	Confident	80	Confident	55 Å²	55	87.5 Å²	87.5	26%	0.257	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-44	175.6	-75.3	-168.2	156.5	0	0	111.9	M734 S735 L740 L741 Y742 R754	M734-E738 WeakPolarHBondContact O-CG 3.44Å; M734-E738 PolarHBondContact O-N 2.85Å; S735-E738 PolarHBondContact O-N 3.04Å; E738-L740 VanDerWaalsContact C-N 3.27Å; E738-L740 PolarHBondContact O-N 2.82Å; E738-L741 PolarHBondContact O-N 2.79Å; E738-L741 VanDerWaalsContact O-N 3.16Å; E738-Y742 HydrophobicContact CB-CE2 4.31Å; E738-Y742 WeakPolarHBondContact O-CD2 3.32Å; E738-Y742 PolarHBondContact O-N 3.07Å; E738-R754 IonicContact OE1-CZ 3.77Å; E738-R754 IonicContact OE1-NH1 2.65Å; E738-R754 PolarHBondContact OE1-NH1 2.82Å; E738-R754 IonicContact OE2-NH1 2.7Å
739	N	79.4	Confident	80.1	Confident	86 Å²	86	80 Å²	80	46%	0.46	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-37.9	176.1	-76.9	-41.6	0	0	0	111.8	S735 V736 Q743	S735-N739 WeakPolarHBondContact O-CB 2.82Å; S735-N739 VanDerWaalsContact O-CG 3.26Å; S735-N739 PolarHBondContact O-N 3.27Å; S735-N739 PolarHBondContact O-ND2 2.88Å; V736-N739 PolarHBondContact O-N 3.3Å; N739-Q743 VanDerWaalsContact O-CG 3.23Å; N739-Q743 WeakPolarHBondContact O-CG 3.47Å; N739-Q743 PolarHBondContact O-N 2.85Å; N739-Q743 VanDerWaalsContact O-N 3.13Å
740	L	82.1	Confident	80.3	Confident	97 Å²	97	76.4 Å²	76.4	51%	0.508	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-42.4	174.1	-174.6	65.6	0	0	0	111.6	V736 T737 E738 Y742 Q743 L744	V736-L740 PolarHBondContact O-N 3.33Å; T737-L740 WeakPolarHBondContact O-CB 3.5Å; T737-L740 PolarHBondContact O-N 2.83Å; E738-L740 VanDerWaalsContact C-N 3.27Å; E738-L740 PolarHBondContact O-N 2.82Å; L740-Y742 PolarHBondContact O-N 2.84Å; L740-Q743 WeakPolarHBondContact O-CB 3.26Å; L740-Q743 PolarHBondContact O-N 2.83Å; L740-Q743 VanDerWaalsContact O-N 3.13Å; L740-L744 HydrophobicContact CG-CD1 4.48Å; L740-L744 PolarHBondContact O-N 2.86Å
741	L	83.2	Confident	80.6	Confident	51 Å²	51	73.5 Å²	73.5	27%	0.267	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-43.3	177.3	-173.4	66.2	0	0	0	111.9	T737 E738 Q743 L744 L745 A750	T737-L741 PolarHBondContact O-N 3.39Å; E738-L741 PolarHBondContact O-N 2.79Å; E738-L741 VanDerWaalsContact O-N 3.16Å; L741-Q743 PolarHBondContact O-N 3.23Å; L741-L744 PolarHBondContact O-N 3.45Å; L741-L745 HydrophobicContact CD1-CD1 4.15Å; L741-L745 PolarHBondContact O-N 2.95Å; L741-L745 VanDerWaalsContact O-N 3.08Å; L741-A750 HydrophobicContact CD2-CB 4.15Å; L741-A750 HydrophobicContact CG-CB 3.97Å
742	Y	80.9	Confident	80.9	Confident	62 Å²	62	69.6 Å²	69.6	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-70	-16.8	175.7	-67.3	-47.7	0	0	0	114.1	E738 L740 K747 A750 D751 R754	E738-Y742 HydrophobicContact CB-CE2 4.31Å; E738-Y742 WeakPolarHBondContact O-CD2 3.32Å; E738-Y742 PolarHBondContact O-N 3.07Å; L740-Y742 PolarHBondContact O-N 2.84Å; Y742-K747 HydrophobicContact CD1-CB 4.43Å; Y742-K747 HydrophobicContact CD1-CG 4.01Å; Y742-K747 HydrophobicContact CE1-CB 4.5Å; Y742-K747 HydrophobicContact CE1-CG 4.4Å; Y742-A750 HydrophobicContact CD1-CB 3.58Å; Y742-A750 HydrophobicContact CE1-CB 3.72Å; Y742-D751 PolarHBondContact OH-OD1 3.38Å; Y742-R754 PolarHBondContact OH-NH2 3.35Å
743	Q	77	Confident	81	Confident	118 Å²	118	67.4 Å²	67.4	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-80.3	-29.5	171	-74.6	169.8	23.7	0	0	112.1	N739 L740 L741	N739-Q743 VanDerWaalsContact O-CG 3.23Å; N739-Q743 WeakPolarHBondContact O-CG 3.47Å; N739-Q743 PolarHBondContact O-N 2.85Å; N739-Q743 VanDerWaalsContact O-N 3.13Å; L740-Q743 WeakPolarHBondContact O-CB 3.26Å; L740-Q743 PolarHBondContact O-N 2.83Å; L740-Q743 VanDerWaalsContact O-N 3.13Å; L741-Q743 PolarHBondContact O-N 3.23Å
744	L	79.8	Confident	81.3	Confident	112 Å²	112	68.5 Å²	68.5	59%	0.586	35%	0.354	S	S	*	.	H	α-helix	trans	-90.1	-27.5	-177.6	-67.2	173.9	0	0	0	113.9	L740 L741	L740-L744 HydrophobicContact CG-CD1 4.48Å; L740-L744 PolarHBondContact O-N 2.86Å; L741-L744 PolarHBondContact O-N 3.45Å
745	L	82.2	Confident	81.6	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.037	35%	0.352	C	S	.	.	S	Bend	trans	-135.1	151.3	-174.4	-64.1	173.8	0	0	0	112	L741 V749 A750 I753 F884	L741-L745 HydrophobicContact CD1-CD1 4.15Å; L741-L745 PolarHBondContact O-N 2.95Å; L741-L745 VanDerWaalsContact O-N 3.08Å; L745-V749 HydrophobicContact CB-CG1 4.42Å; L745-V749 HydrophobicContact CD1-CG1 4.38Å; L745-V749 HydrophobicContact CD2-CG1 4.49Å; L745-A750 HydrophobicContact CB-CB 4.26Å; L745-I753 HydrophobicContact CD1-CD1 3.44Å; L745-I753 VanDerWaalsContact CD1-CD1 3.44Å; L745-F884 HydrophobicContact CD2-CB 3.94Å
746	P	82.4	Confident	81.8	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.032	37%	0.367	C	S	.	.			trans	-57.7	144	171.6	-21.8	32.5	0	0	0	110.9	S748 V749 A750 F810 F884	P746-S748 VanDerWaalsContact C-N 3.3Å; P746-S748 PolarHBondContact O-N 2.72Å; P746-S748 VanDerWaalsContact O-N 3.16Å; P746-V749 HydrophobicContact CB-CB 4.48Å; P746-V749 HydrophobicContact CB-CG2 4.27Å; P746-V749 HydrophobicContact CG-CG2 4.34Å; P746-V749 WeakPolarHBondContact O-CA 3.23Å; P746-V749 WeakPolarHBondContact O-CB 3.43Å; P746-V749 PolarHBondContact O-N 2.85Å; P746-A750 PolarHBondContact O-N 2.84Å; P746-F810 VanDerWaalsContact CD-CZ 3.48Å; P746-F810 HydrophobicContact CG-CD1 3.82Å; P746-F810 HydrophobicContact CG-CD2 4.2Å; P746-F810 HydrophobicContact CG-CE1 3.79Å; P746-F810 HydrophobicContact CG-CE2 4.19Å; P746-F810 HydrophobicContact CG-CG 4.04Å; P746-F810 HydrophobicContact CG-CZ 3.99Å; P746-F884 HydrophobicContact CG-CD1 3.86Å; P746-F884 HydrophobicContact CG-CD2 3.79Å; P746-F884 HydrophobicContact CG-CE1 3.85Å; P746-F884 HydrophobicContact CG-CE2 3.8Å; P746-F884 HydrophobicContact CG-CG 3.82Å; P746-F884 HydrophobicContact CG-CZ 3.82Å
747	K	81.2	Confident	81.9	Confident	143 Å²	143	69.3 Å²	69.3	62%	0.622	37%	0.368	S	S	*	.	H	α-helix	trans	-51.1	-44.6	-174.8	-69.4	-170.2	175.1	-169.4	0	114	Y742 V749 A750 D751	Y742-K747 HydrophobicContact CD1-CB 4.43Å; Y742-K747 HydrophobicContact CD1-CG 4.01Å; Y742-K747 HydrophobicContact CE1-CB 4.5Å; Y742-K747 HydrophobicContact CE1-CG 4.4Å; K747-V749 VanDerWaalsContact C-N 3.27Å; K747-V749 PolarHBondContact O-N 3.07Å; K747-A750 PolarHBondContact O-N 2.95Å; K747-D751 WeakPolarHBondContact O-CB 3.39Å; K747-D751 VanDerWaalsContact O-CG 3.28Å; K747-D751 PolarHBondContact O-N 3.02Å
748	S	81.5	Confident	82	Confident	44 Å²	44	71.2 Å²	71.2	31%	0.308	38%	0.38	S	S	.	.	H	α-helix	trans	-60.1	-37	178.4	50.9	0	0	0	0	113.2	P746 S752	P746-S748 VanDerWaalsContact C-N 3.3Å; P746-S748 PolarHBondContact O-N 2.72Å; P746-S748 VanDerWaalsContact O-N 3.16Å; S748-S752 PolarHBondContact O-N 3.34Å; S748-S752 PolarHBondContact O-OG 3.28Å
749	V	83.7	Confident	82.1	Confident	12 Å²	12	70.8 Å²	70.8	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-76.8	-44.7	179.5	176.5	0	0	0	0	110.7	L745 P746 K747 D751 S752 I753 V759 I876 F884	L745-V749 HydrophobicContact CB-CG1 4.42Å; L745-V749 HydrophobicContact CD1-CG1 4.38Å; L745-V749 HydrophobicContact CD2-CG1 4.49Å; P746-V749 HydrophobicContact CB-CB 4.48Å; P746-V749 HydrophobicContact CB-CG2 4.27Å; P746-V749 HydrophobicContact CG-CG2 4.34Å; P746-V749 WeakPolarHBondContact O-CA 3.23Å; P746-V749 WeakPolarHBondContact O-CB 3.43Å; P746-V749 PolarHBondContact O-N 2.85Å; K747-V749 VanDerWaalsContact C-N 3.27Å; K747-V749 PolarHBondContact O-N 3.07Å; V749-D751 PolarHBondContact O-N 2.88Å; V749-S752 WeakPolarHBondContact O-CB 3.27Å; V749-S752 PolarHBondContact O-N 3.22Å; V749-I753 HydrophobicContact CG1-CD1 4.22Å; V749-I753 PolarHBondContact O-N 3.01Å; V749-V759 HydrophobicContact CG1-CG1 4.16Å; V749-V759 HydrophobicContact CG1-CG2 4.14Å; V749-V759 HydrophobicContact CG2-CG1 4.44Å; V749-I876 HydrophobicContact CG1-CD1 3.19Å; V749-I876 HydrophobicContact CG1-CG1 3.87Å; V749-F884 HydrophobicContact CG2-CD2 4.32Å; V749-F884 HydrophobicContact CG2-CE2 4.27Å
750	A	84	Confident	82.4	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.008	39%	0.386	C	S	.	.	H	α-helix	trans	-59.4	-44.8	175.7	0	0	0	0	0	112	L741 Y742 L745 P746 K747 S752 I753 R754	L741-A750 HydrophobicContact CD2-CB 4.15Å; L741-A750 HydrophobicContact CG-CB 3.97Å; Y742-A750 HydrophobicContact CD1-CB 3.58Å; Y742-A750 HydrophobicContact CE1-CB 3.72Å; L745-A750 HydrophobicContact CB-CB 4.26Å; P746-A750 PolarHBondContact O-N 2.84Å; K747-A750 PolarHBondContact O-N 2.95Å; A750-S752 VanDerWaalsContact C-N 3.33Å; A750-S752 PolarHBondContact O-N 2.8Å; A750-I753 PolarHBondContact O-N 3.21Å; A750-R754 WeakPolarHBondContact O-CB 3.19Å; A750-R754 PolarHBondContact O-N 3.11Å
751	D	85.3	Confident	82.7	Confident	58 Å²	58	71.6 Å²	71.6	31%	0.31	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-37.8	177	-72.9	-33.4	0	0	0	112.2	Y742 K747 V749 R754 S755	Y742-D751 PolarHBondContact OH-OD1 3.38Å; K747-D751 WeakPolarHBondContact O-CB 3.39Å; K747-D751 VanDerWaalsContact O-CG 3.28Å; K747-D751 PolarHBondContact O-N 3.02Å; V749-D751 PolarHBondContact O-N 2.88Å; D751-R754 PolarHBondContact O-N 2.95Å; D751-R754 IonicContact OD1-CZ 3.54Å; D751-R754 IonicContact OD1-NE 3.69Å; D751-R754 IonicContact OD1-NH2 3.6Å; D751-R754 PolarHBondContact OD1-NH2 3.43Å; D751-S755 WeakPolarHBondContact O-CB 3.38Å; D751-S755 PolarHBondContact O-N 3.32Å; D751-S755 PolarHBondContact O-OG 3.17Å
752	S	84.7	Confident	83	Confident	39 Å²	39	74.6 Å²	74.6	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.9	-62.8	0	0	0	0	111.4	S748 V749 A750 S755 G756 K757	S748-S752 PolarHBondContact O-N 3.34Å; S748-S752 PolarHBondContact O-OG 3.28Å; V749-S752 WeakPolarHBondContact O-CB 3.27Å; V749-S752 PolarHBondContact O-N 3.22Å; A750-S752 VanDerWaalsContact C-N 3.33Å; A750-S752 PolarHBondContact O-N 2.8Å; S752-S755 PolarHBondContact O-N 2.91Å; S752-S755 PolarHBondContact O-OG 3.23Å; S752-G756 PolarHBondContact O-N 2.89Å; S752-K757 WeakPolarHBondContact O-CB 3.45Å; S752-K757 PolarHBondContact O-N 3.09Å
753	I	82.4	Confident	83.4	Confident	65 Å²	65	77.7 Å²	77.7	33%	0.333	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-44.3	176.4	-69.5	164.5	0	0	0	111.5	L745 V749 A750 S755 G756 V759 I876	L745-I753 HydrophobicContact CD1-CD1 3.44Å; L745-I753 VanDerWaalsContact CD1-CD1 3.44Å; V749-I753 HydrophobicContact CG1-CD1 4.22Å; V749-I753 PolarHBondContact O-N 3.01Å; A750-I753 PolarHBondContact O-N 3.21Å; I753-S755 PolarHBondContact O-N 3.42Å; I753-G756 PolarHBondContact O-N 3.36Å; I753-V759 HydrophobicContact CG1-CG2 3.96Å; I753-I876 HydrophobicContact CD1-CD1 3.64Å; I753-I876 HydrophobicContact CG1-CD1 4.48Å
754	R	83.3	Confident	84	Confident	130 Å²	130	72.4 Å²	72.4	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-34.8	177	-174.6	176.8	59.8	168.7	-5.4	112	E738 Y742 A750 D751 G756	E738-R754 IonicContact OE1-CZ 3.77Å; E738-R754 IonicContact OE1-NH1 2.65Å; E738-R754 PolarHBondContact OE1-NH1 2.82Å; E738-R754 IonicContact OE2-NH1 2.7Å; Y742-R754 PolarHBondContact OH-NH2 3.35Å; A750-R754 WeakPolarHBondContact O-CB 3.19Å; A750-R754 PolarHBondContact O-N 3.11Å; D751-R754 PolarHBondContact O-N 2.95Å; D751-R754 IonicContact OD1-CZ 3.54Å; D751-R754 IonicContact OD1-NE 3.69Å; D751-R754 IonicContact OD1-NH2 3.6Å; D751-R754 PolarHBondContact OD1-NH2 3.43Å; R754-G756 PolarHBondContact O-N 2.76Å
755	S	85.2	Confident	84.5	Confident	67 Å²	67	71.6 Å²	71.6	47%	0.469	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.7	175.1	70.5	0	0	0	0	114.6	D751 S752 I753 K757	D751-S755 WeakPolarHBondContact O-CB 3.38Å; D751-S755 PolarHBondContact O-N 3.32Å; D751-S755 PolarHBondContact O-OG 3.17Å; S752-S755 PolarHBondContact O-N 2.91Å; S752-S755 PolarHBondContact O-OG 3.23Å; I753-S755 PolarHBondContact O-N 3.42Å; S755-K757 PolarHBondContact O-N 3.48Å; S755-K757 WeakPolarHBondContact OG-CD 3.48Å; S755-K757 WeakPolarHBondContact OG-CG 3.28Å
756	G	81.4	Confident	84.8	Confident	70 Å²	70	73.2 Å²	73.2	72%	0.722	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	13.7	-177.6	0	0	0	0	0	114.4	S752 I753 R754	S752-G756 PolarHBondContact O-N 2.89Å; I753-G756 PolarHBondContact O-N 3.36Å; R754-G756 PolarHBondContact O-N 2.76Å
757	K	83.4	Confident	85.3	Confident	140 Å²	140	73 Å²	73	61%	0.609	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-83.7	140.8	178.8	-65.9	176.5	-174.2	176.7	0	110.6	S752 S755	S752-K757 WeakPolarHBondContact O-CB 3.45Å; S752-K757 PolarHBondContact O-N 3.09Å; S755-K757 PolarHBondContact O-N 3.48Å; S755-K757 WeakPolarHBondContact OG-CD 3.48Å; S755-K757 WeakPolarHBondContact OG-CG 3.28Å
758	T	80.8	Confident	86	Confident	134 Å²	134	66.1 Å²	66.1	82%	0.822	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-70.2	135	169.8	50.4	0	0	0	0	109.8
759	V	80.7	Confident	86.6	Confident	45 Å²	45	64 Å²	64	27%	0.273	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-94.5	117.2	177.5	-179.5	0	0	0	0	108.2	V749 I753 I876	V749-V759 HydrophobicContact CG1-CG1 4.16Å; V749-V759 HydrophobicContact CG1-CG2 4.14Å; V749-V759 HydrophobicContact CG2-CG1 4.44Å; I753-V759 HydrophobicContact CG1-CG2 3.96Å; V759-I876 HydrophobicContact CB-CD1 3.92Å; V759-I876 HydrophobicContact CG1-CD1 4.04Å; V759-I876 HydrophobicContact CG1-CG1 4.42Å; V759-I876 HydrophobicContact CG2-CD1 4Å
760	V	86.3	Confident	87.1	Confident	93 Å²	93	63.5 Å²	63.5	56%	0.564	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-91.9	151.1	176.5	-67.5	0	0	0	0	110.7	E762	V760-E762 PolarHBondContact O-N 3.04Å
761	P	87.1	Confident	87.6	Confident	108 Å²	108	63.6 Å²	63.6	70%	0.701	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-61.5	134.3	172.3	-22.4	33.7	0	0	0	112	A874	P761-A874 CarbonylContact C-O 3.59Å; P761-A874 VanDerWaalsContact CA-O 3.28Å; P761-A874 WeakPolarHBondContact CA-O 3.35Å
762	E	89.2	Confident	88	Confident	113 Å²	113	61 Å²	61	53%	0.528	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.3	-178.9	-68.7	-175.9	177.7	0	0	111.6	V760 H764 A873 A874	V760-E762 PolarHBondContact O-N 3.04Å; E762-H764 IonicContact OE2-CE1 3.74Å; E762-H764 IonicContact OE2-NE2 3.19Å; E762-A873 CarbonylContact O-C 3.57Å; E762-A873 WeakPolarHBondContact O-CA 3.33Å; E762-A874 PolarHBondContact N-O 3.03Å; E762-A874 PolarHBondContact O-N 3.26Å
763	Q	89.5	Confident	88.2	Confident	127 Å²	127	61.6 Å²	61.6	59%	0.593	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.3	173.5	-177.8	68.2	39.1	0	0	109.4	V872	Q763-V872 PolarHBondContact NE2-O 3.12Å
764	H	90.6	Very high	88.5	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.037	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.6	174.5	-62.8	-72.7	0	0	0	110.5	E762 V767 E827 A871 V872	E762-H764 IonicContact OE2-CE1 3.74Å; E762-H764 IonicContact OE2-NE2 3.19Å; H764-V767 HydrophobicContact CB-CG2 3.55Å; H764-E827 IonicContact ND1-OE1 3.76Å; H764-A871 VanDerWaalsContact O-CA 3.26Å; H764-A871 WeakPolarHBondContact O-CA 3.31Å; H764-A871 WeakPolarHBondContact O-CB 3.27Å; H764-V872 HydrophobicContact CB-CG2 4.29Å; H764-V872 PolarHBondContact N-O 3.29Å; H764-V872 PolarHBondContact O-N 3.42Å; H764-V872 VanDerWaalsContact O-N 3.08Å
765	S	88.8	Confident	88.6	Confident	95 Å²	95	53.6 Å²	53.6	66%	0.664	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	-32.8	-176.1	60.2	0	0	0	0	113.2
766	S	90.1	Very high	88.5	Confident	40 Å²	40	56.6 Å²	56.6	28%	0.28	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	117.9	179.3	-158.2	0	0	0	0	111.5
767	V	92.5	Very high	88.6	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.9	175.4	178.2	0	0	0	0	107.4	H764 L769 C822 S823 I825 S869 G870 V872	H764-V767 HydrophobicContact CB-CG2 3.55Å; V767-L769 HydrophobicContact CG1-CD2 3.85Å; V767-C822 HydrophobicContact CG1-CB 4.21Å; V767-S823 WeakPolarHBondContact CG1-O 3.39Å; V767-I825 HydrophobicContact CG1-CD1 4.41Å; V767-I825 HydrophobicContact CG1-CG1 4.35Å; V767-I825 HydrophobicContact CG2-CD1 4.29Å; V767-I825 HydrophobicContact CG2-CG1 3.96Å; V767-S869 VanDerWaalsContact O-CA 3.26Å; V767-S869 WeakPolarHBondContact O-CA 3.37Å; V767-G870 PolarHBondContact N-O 3.2Å; V767-G870 PolarHBondContact O-N 2.86Å; V767-V872 HydrophobicContact CB-CG2 3.77Å; V767-V872 HydrophobicContact CG1-CG2 4.18Å; V767-V872 HydrophobicContact CG2-CG2 3.54Å
768	T	95.1	Very high	88.6	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129	171	-57.2	0	0	0	0	109.8	S823 H833 L834 I837 I867 S869	T768-S823 PolarHBondContact N-O 3.41Å; T768-S823 PolarHBondContact O-N 3.42Å; T768-H833 PolarHBondContact OG1-ND1 3.5Å; T768-L834 HydrophobicContact CG2-CD1 3.92Å; T768-L834 WeakPolarHBondContact OG1-CA 3.32Å; T768-L834 PolarHBondContact OG1-N 2.97Å; T768-I837 HydrophobicContact CG2-CB 3.76Å; T768-I837 HydrophobicContact CG2-CG1 3.83Å; T768-I837 HydrophobicContact CG2-CG2 3.79Å; T768-I867 HydrophobicContact CG2-CG2 3.65Å; T768-S869 PolarHBondContact OG1-OG 2.78Å
769	L	94.4	Very high	88.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.8	177.7	-54.6	-176.5	0	0	0	110.2	V767 L820 I821 C822 I867 T868 V872 I886 T890 V891 A894	V767-L769 HydrophobicContact CG1-CD2 3.85Å; L769-L820 HydrophobicContact CB-CD1 4.46Å; L769-I821 WeakPolarHBondContact CA-O 3.04Å; L769-C822 HydrophobicContact CD2-CB 3.55Å; L769-I867 WeakPolarHBondContact O-CA 3.47Å; L769-T868 PolarHBondContact N-O 2.8Å; L769-T868 PolarHBondContact O-N 3Å; L769-T868 VanDerWaalsContact O-N 3.13Å; L769-V872 HydrophobicContact CD1-CG1 4.19Å; L769-I886 HydrophobicContact CD1-CD1 3.93Å; L769-I886 HydrophobicContact CD2-CD1 3.35Å; L769-I886 HydrophobicContact CG-CD1 4.29Å; L769-T890 HydrophobicContact CD1-CG2 3.99Å; L769-T890 HydrophobicContact CG-CG2 4.34Å; L769-V891 HydrophobicContact CD1-CB 4.23Å; L769-V891 HydrophobicContact CD1-CG2 3.72Å; L769-A894 HydrophobicContact CB-CB 3.96Å; L769-A894 HydrophobicContact CD1-CB 4.33Å
770	L	94.9	Very high	88.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.7	169.4	166.3	63.8	0	0	0	108.7	V772 I821 I837 I840 L844 M865 G866 I867	L770-V772 HydrophobicContact CD1-CG2 4.24Å; L770-V772 HydrophobicContact CD2-CG2 4.34Å; L770-V772 HydrophobicContact CG-CG2 4.01Å; L770-I821 HydrophobicContact CB-CB 4.23Å; L770-I821 HydrophobicContact CD2-CD1 3.66Å; L770-I821 HydrophobicContact CG-CD1 4.14Å; L770-I821 PolarHBondContact N-O 2.79Å; L770-I821 PolarHBondContact O-N 2.82Å; L770-I837 HydrophobicContact CB-CD1 4.1Å; L770-I837 HydrophobicContact CB-CG2 3.63Å; L770-I837 HydrophobicContact CD2-CG2 4.33Å; L770-I837 HydrophobicContact CG-CG2 4.49Å; L770-I840 HydrophobicContact CD2-CG2 4Å; L770-L844 HydrophobicContact CD2-CD1 4.09Å; L770-M865 HydrophobicContact CD1-CB 3.89Å; L770-M865 HydrophobicContact CD1-CG 4.13Å; L770-M865 HydrophobicContact CD1-SD 4.48Å; L770-G866 WeakPolarHBondContact CA-O 3.41Å; L770-I867 HydrophobicContact CD1-CD1 4.47Å; L770-I867 HydrophobicContact CD1-CG1 3.79Å
771	V	94	Very high	88.8	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	172.2	177.1	0	0	0	0	108.1	A818 L820 M865 G866 A894 A898	V771-A818 HydrophobicContact CG1-CB 3.58Å; V771-L820 HydrophobicContact CG2-CD1 3.68Å; V771-M865 VanDerWaalsContact O-CA 3.32Å; V771-M865 WeakPolarHBondContact O-CA 3.12Å; V771-G866 PolarHBondContact N-O 3.29Å; V771-G866 PolarHBondContact O-N 3.33Å; V771-A894 HydrophobicContact CG2-CB 3.6Å; V771-A898 HydrophobicContact CB-CB 3.88Å; V771-A898 HydrophobicContact CG1-CB 3.65Å
772	V	92.7	Very high	88.7	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119	174.9	-171.1	0	0	0	0	108.6	L770 F800 Y819 I821 L844 I863 M865	L770-V772 HydrophobicContact CD1-CG2 4.24Å; L770-V772 HydrophobicContact CD2-CG2 4.34Å; L770-V772 HydrophobicContact CG-CG2 4.01Å; V772-F800 HydrophobicContact CG1-CE2 3.96Å; V772-F800 HydrophobicContact CG1-CZ 4.45Å; V772-Y819 HydrophobicContact CG2-CD1 4.43Å; V772-Y819 PolarHBondContact N-O 3.46Å; V772-Y819 PolarHBondContact O-N 3.08Å; V772-I821 HydrophobicContact CG2-CD1 4.38Å; V772-L844 HydrophobicContact CG2-CD1 4.03Å; V772-I863 HydrophobicContact CG1-CB 3.92Å; V772-I863 HydrophobicContact CG1-CD1 3.88Å; V772-I863 HydrophobicContact CG1-CG1 4.41Å; V772-I863 HydrophobicContact CG1-CG2 4.08Å; V772-M865 HydrophobicContact CG1-CG 4.22Å; V772-M865 HydrophobicContact CG2-CG 4.15Å
773	D	89.8	Confident	88.5	Confident	53 Å²	53	48.7 Å²	48.7	28%	0.283	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.3	179.7	-177.4	31.1	0	0	0	110.5	I863 K864	D773-I863 CarbonylContact O-C 3.44Å; D773-I863 VanDerWaalsContact O-CA 3.25Å; D773-I863 WeakPolarHBondContact O-CA 3.45Å; D773-K864 PolarHBondContact N-O 3.45Å; D773-K864 PolarHBondContact O-N 3.49Å
774	V	87.7	Confident	88.2	Confident	12 Å²	12	43.7 Å²	43.7	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.6	179.7	-179.7	0	0	0	0	108.5	Q776 F777 L796 L861	V774-Q776 PolarHBondContact O-N 2.78Å; V774-F777 HydrophobicContact CB-CB 4.33Å; V774-F777 HydrophobicContact CB-CD2 4.41Å; V774-F777 HydrophobicContact CG1-CB 4.37Å; V774-F777 HydrophobicContact CG1-CD2 4.19Å; V774-F777 PolarHBondContact O-N 2.76Å; V774-L796 HydrophobicContact CG2-CD2 4.16Å; V774-L861 HydrophobicContact CG1-CD2 4.22Å
775	C	87.3	Confident	88.1	Confident	15 Å²	15	47.9 Å²	47.9	10%	0.101	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	134.2	-177.5	-64.9	0	0	0	0	111.2	F777 Q862 K864	C775-F777 PolarHBondContact O-N 3.28Å; C775-Q862 HydrophobicContact CB-CB 4.13Å; C775-Q862 VanDerWaalsContact CB-O 3.29Å; C775-Q862 WeakPolarHBondContact CB-O 3.46Å; C775-Q862 PolarHBondContact N-O 3.48Å; C775-Q862 PolarHBondContact SG-O 3.29Å; C775-K864 VanDerWaalsContact SG-CE 3.52Å; C775-K864 WeakPolarHBondContact SG-CG 3.13Å
776	Q	83	Confident	88.1	Confident	129 Å²	129	48.5 Å²	48.5	60%	0.603	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	31.5	175.5	-51.3	-176.2	11.9	0	0	113.6	V774 T778 K779 F780	V774-Q776 PolarHBondContact O-N 2.78Å; Q776-T778 PolarHBondContact O-N 2.82Å; Q776-K779 HydrophobicContact CB-CB 4.36Å; Q776-K779 HydrophobicContact CB-CD 4.3Å; Q776-K779 WeakPolarHBondContact O-CB 3.29Å; Q776-K779 PolarHBondContact O-N 2.83Å; Q776-F780 PolarHBondContact O-N 2.82Å; Q776-F780 VanDerWaalsContact O-N 3.12Å
777	F	82.5	Confident	88	Confident	58 Å²	58	50.7 Å²	50.7	25%	0.254	28%	0.275	S	S	.	.	H	α-helix	trans	-54.1	-36.6	-178.9	-175.2	-114.2	0	0	0	113.4	V774 C775 K779 F780 C781 L793	V774-F777 HydrophobicContact CB-CB 4.33Å; V774-F777 HydrophobicContact CB-CD2 4.41Å; V774-F777 HydrophobicContact CG1-CB 4.37Å; V774-F777 HydrophobicContact CG1-CD2 4.19Å; V774-F777 PolarHBondContact O-N 2.76Å; C775-F777 PolarHBondContact O-N 3.28Å; F777-K779 PolarHBondContact O-N 2.73Å; F777-F780 HydrophobicContact CD2-CD1 4.12Å; F777-F780 AromaticContact CE2-CD1 4Å; F777-F780 HydrophobicContact CE2-CD1 4Å; F777-F780 CarbonylContact O-C 3.57Å; F777-F780 WeakPolarHBondContact O-CA 3.33Å; F777-F780 VanDerWaalsContact O-CB 3.31Å; F777-F780 WeakPolarHBondContact O-CB 3.29Å; F777-F780 PolarHBondContact O-N 3.39Å; F777-F780 VanDerWaalsContact O-N 3.11Å; F777-C781 VanDerWaalsContact CE1-SG 3.53Å; F777-C781 WeakPolarHBondContact CZ-SG 3.35Å; F777-C781 PolarHBondContact O-N 2.95Å; F777-C781 PolarHBondContact O-SG 3.5Å; F777-C781 VanDerWaalsContact O-SG 3.41Å; F777-L793 HydrophobicContact CE2-CD1 4.07Å; F777-L793 HydrophobicContact CE2-CD2 3.89Å; F777-L793 HydrophobicContact CE2-CG 4.36Å; F777-L793 HydrophobicContact CZ-CD1 3.95Å; F777-L793 HydrophobicContact CZ-CD2 4.48Å
778	T	83.5	Confident	87.8	Confident	99 Å²	99	53.3 Å²	53.3	61%	0.607	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-45.1	174.4	-44	0	0	0	0	112.6	Q776 F780 C781 E782	Q776-T778 PolarHBondContact O-N 2.82Å; T778-F780 VanDerWaalsContact C-N 3.26Å; T778-F780 PolarHBondContact O-N 2.68Å; T778-C781 PolarHBondContact O-N 3.16Å; T778-C781 VanDerWaalsContact O-N 3.15Å; T778-E782 WeakPolarHBondContact O-CG 3.43Å; T778-E782 PolarHBondContact O-N 3.44Å
779	K	84.2	Confident	87.4	Confident	127 Å²	127	54.4 Å²	54.4	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-66.1	-31.8	176.6	-65.9	-174.5	179.9	179.6	0	111.9	Q776 F777 A783	Q776-K779 HydrophobicContact CB-CB 4.36Å; Q776-K779 HydrophobicContact CB-CD 4.3Å; Q776-K779 WeakPolarHBondContact O-CB 3.29Å; Q776-K779 PolarHBondContact O-N 2.83Å; F777-K779 PolarHBondContact O-N 2.73Å; K779-A783 WeakPolarHBondContact O-CB 3.44Å; K779-A783 PolarHBondContact O-N 3.43Å
780	F	83	Confident	87	Confident	3 Å²	3	60 Å²	60	1%	0.013	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-46.1	171.7	179	-100.8	0	0	0	110.6	Q776 F777 T778 E782 A783 F784 I789 T792 V853 H859 L861	Q776-F780 PolarHBondContact O-N 2.82Å; Q776-F780 VanDerWaalsContact O-N 3.12Å; F777-F780 HydrophobicContact CD2-CD1 4.12Å; F777-F780 AromaticContact CE2-CD1 4Å; F777-F780 HydrophobicContact CE2-CD1 4Å; F777-F780 CarbonylContact O-C 3.57Å; F777-F780 WeakPolarHBondContact O-CA 3.33Å; F777-F780 VanDerWaalsContact O-CB 3.31Å; F777-F780 WeakPolarHBondContact O-CB 3.29Å; F777-F780 PolarHBondContact O-N 3.39Å; F777-F780 VanDerWaalsContact O-N 3.11Å; T778-F780 VanDerWaalsContact C-N 3.26Å; T778-F780 PolarHBondContact O-N 2.68Å; F780-E782 VanDerWaalsContact C-N 3.32Å; F780-E782 PolarHBondContact O-N 3.07Å; F780-A783 PolarHBondContact O-N 2.94Å; F780-A783 VanDerWaalsContact O-N 3.12Å; F780-F784 AromaticContact CD2-CD2 3.69Å; F780-F784 HydrophobicContact CD2-CD2 3.69Å; F780-F784 AromaticContact CD2-CE2 3.44Å; F780-F784 HydrophobicContact CD2-CE2 3.44Å; F780-F784 VanDerWaalsContact CD2-CE2 3.44Å; F780-F784 HydrophobicContact CD2-CZ 4.3Å; F780-F784 AromaticContact CE2-CD2 3.6Å; F780-F784 HydrophobicContact CE2-CD2 3.6Å; F780-F784 HydrophobicContact CE2-CE1 4.47Å; F780-F784 AromaticContact CE2-CE2 3.35Å; F780-F784 HydrophobicContact CE2-CE2 3.35Å; F780-F784 HydrophobicContact CE2-CG 4.28Å; F780-F784 AromaticContact CE2-CZ 3.82Å; F780-F784 HydrophobicContact CE2-CZ 3.82Å; F780-F784 HydrophobicContact CG-CD2 4.31Å; F780-F784 HydrophobicContact CG-CE2 4.44Å; F780-F784 HydrophobicContact CZ-CD2 4.17Å; F780-F784 HydrophobicContact CZ-CE2 4.3Å; F780-F784 HydrophobicContact CZ-CG 4.49Å; F780-F784 VanDerWaalsContact O-CD2 3.29Å; F780-F784 WeakPolarHBondContact O-CD2 3.22Å; F780-F784 PolarHBondContact O-N 3.24Å; F780-I789 HydrophobicContact CD1-CG2 4.47Å; F780-I789 HydrophobicContact CE1-CB 4.25Å; F780-I789 HydrophobicContact CE1-CG1 4.11Å; F780-I789 HydrophobicContact CE1-CG2 4Å; F780-T792 HydrophobicContact CE2-CG2 4.38Å; F780-T792 HydrophobicContact CZ-CG2 3.74Å; F780-V853 HydrophobicContact CE2-CG1 4.36Å; F780-V853 HydrophobicContact CE2-CG2 4.49Å; F780-H859 AromaticContact CD2-CD2 3.91Å; F780-H859 AromaticContact CD2-NE2 3.85Å; F780-L861 HydrophobicContact CD2-CD2 3.89Å; F780-L861 HydrophobicContact CE2-CD1 4.5Å; F780-L861 HydrophobicContact CE2-CD2 4.3Å; F780-L861 HydrophobicContact CG-CD2 4.26Å
781	C	84.6	Confident	86.7	Confident	47 Å²	47	64.5 Å²	64.5	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-33.9	176.9	-66.6	0	0	0	0	113.7	F777 T778 A783 I789	F777-C781 VanDerWaalsContact CE1-SG 3.53Å; F777-C781 WeakPolarHBondContact CZ-SG 3.35Å; F777-C781 PolarHBondContact O-N 2.95Å; F777-C781 PolarHBondContact O-SG 3.5Å; F777-C781 VanDerWaalsContact O-SG 3.41Å; T778-C781 PolarHBondContact O-N 3.16Å; T778-C781 VanDerWaalsContact O-N 3.15Å; C781-A783 VanDerWaalsContact C-N 3.28Å; C781-A783 PolarHBondContact O-N 3.05Å; C781-I789 HydrophobicContact CB-CD1 4.16Å
782	E	86.4	Confident	86.4	Confident	153 Å²	153	64.4 Å²	64.4	72%	0.715	34%	0.343	S	S	*	.	H	α-helix	trans	-69	-24.7	175.2	-72.4	168.8	-175.3	0	0	113.1	T778 F780	T778-E782 WeakPolarHBondContact O-CG 3.43Å; T778-E782 PolarHBondContact O-N 3.44Å; F780-E782 VanDerWaalsContact C-N 3.32Å; F780-E782 PolarHBondContact O-N 3.07Å
783	A	84.1	Confident	86.1	Confident	50 Å²	50	65.7 Å²	65.7	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-96.6	-10.6	-171.5	0	0	0	0	0	114.9	K779 F780 C781	K779-A783 WeakPolarHBondContact O-CB 3.44Å; K779-A783 PolarHBondContact O-N 3.43Å; F780-A783 PolarHBondContact O-N 2.94Å; F780-A783 VanDerWaalsContact O-N 3.12Å; C781-A783 VanDerWaalsContact C-N 3.28Å; C781-A783 PolarHBondContact O-N 3.05Å
784	F	83.6	Confident	86	Confident	23 Å²	23	69 Å²	69	10%	0.101	36%	0.363	C	S	.	.	S	Bend	trans	-131.2	152.2	-173.2	-69.2	-96.7	0	0	0	111.6	F780 H788 I789 V853 H855 R856	F780-F784 AromaticContact CD2-CD2 3.69Å; F780-F784 HydrophobicContact CD2-CD2 3.69Å; F780-F784 AromaticContact CD2-CE2 3.44Å; F780-F784 HydrophobicContact CD2-CE2 3.44Å; F780-F784 VanDerWaalsContact CD2-CE2 3.44Å; F780-F784 HydrophobicContact CD2-CZ 4.3Å; F780-F784 AromaticContact CE2-CD2 3.6Å; F780-F784 HydrophobicContact CE2-CD2 3.6Å; F780-F784 HydrophobicContact CE2-CE1 4.47Å; F780-F784 AromaticContact CE2-CE2 3.35Å; F780-F784 HydrophobicContact CE2-CE2 3.35Å; F780-F784 HydrophobicContact CE2-CG 4.28Å; F780-F784 AromaticContact CE2-CZ 3.82Å; F780-F784 HydrophobicContact CE2-CZ 3.82Å; F780-F784 HydrophobicContact CG-CD2 4.31Å; F780-F784 HydrophobicContact CG-CE2 4.44Å; F780-F784 HydrophobicContact CZ-CD2 4.17Å; F780-F784 HydrophobicContact CZ-CE2 4.3Å; F780-F784 HydrophobicContact CZ-CG 4.49Å; F780-F784 VanDerWaalsContact O-CD2 3.29Å; F780-F784 WeakPolarHBondContact O-CD2 3.22Å; F780-F784 PolarHBondContact O-N 3.24Å; F784-H788 HydrophobicContact CB-CB 4.41Å; F784-H788 HydrophobicContact CD1-CB 4.21Å; F784-I789 HydrophobicContact CB-CD1 4.28Å; F784-I789 HydrophobicContact CB-CG1 3.66Å; F784-I789 WeakPolarHBondContact O-CD1 3.44Å; F784-V853 HydrophobicContact CE1-CG1 4.07Å; F784-V853 HydrophobicContact CZ-CG1 4.09Å; F784-H855 HydrophobicContact CE1-CB 4.31Å; F784-R856 HydrophobicContact CE1-CB 3.66Å; F784-R856 HydrophobicContact CZ-CB 3.62Å; F784-R856 HydrophobicContact CZ-CG 4.36Å
785	I	88.5	Confident	86	Confident	96 Å²	96	71 Å²	71	49%	0.492	37%	0.372	S	S	.	.			trans	-70.7	151.5	170.4	60.8	170.2	0	0	0	110.5	V787 H788 I789	I785-V787 VanDerWaalsContact C-N 3.26Å; I785-V787 PolarHBondContact O-N 3.31Å; I785-V787 VanDerWaalsContact O-N 3.09Å; I785-H788 HydrophobicContact CG1-CB 4.03Å; I785-H788 WeakPolarHBondContact CG1-ND1 3.32Å; I785-H788 PolarHBondContact O-N 2.93Å; I785-I789 PolarHBondContact O-N 3.37Å
786	P	87.7	Confident	86.1	Confident	107 Å²	107	70.3 Å²	70.3	70%	0.695	37%	0.367	S	S	*	.	H	α-helix	trans	-51	-38.7	-175.3	-31.3	36.5	0	0	0	115.5	I789 L790	P786-I789 WeakPolarHBondContact O-CB 3.35Å; P786-I789 PolarHBondContact O-N 3.14Å; P786-L790 PolarHBondContact O-N 3.37Å
787	V	88.6	Confident	86.4	Confident	86 Å²	86	66.7 Å²	66.7	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-43.3	179.5	179.7	0	0	0	0	111.7	I785 I789 L790 E791	I785-V787 VanDerWaalsContact C-N 3.26Å; I785-V787 PolarHBondContact O-N 3.31Å; I785-V787 VanDerWaalsContact O-N 3.09Å; V787-I789 VanDerWaalsContact C-N 3.32Å; V787-I789 PolarHBondContact O-N 3.08Å; V787-L790 WeakPolarHBondContact O-CB 3.39Å; V787-L790 PolarHBondContact O-N 3.22Å; V787-E791 WeakPolarHBondContact O-CG 3.37Å; V787-E791 PolarHBondContact O-N 2.61Å
788	H	88.5	Confident	86.7	Confident	56 Å²	56	66.3 Å²	66.3	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-32.8	179.1	-65.3	173.9	0	0	0	112.3	F784 I785 E791 T792 H855	F784-H788 HydrophobicContact CB-CB 4.41Å; F784-H788 HydrophobicContact CD1-CB 4.21Å; I785-H788 HydrophobicContact CG1-CB 4.03Å; I785-H788 WeakPolarHBondContact CG1-ND1 3.32Å; I785-H788 PolarHBondContact O-N 2.93Å; H788-E791 IonicContact CD2-OE2 3.7Å; H788-T792 WeakPolarHBondContact O-CB 3.24Å; H788-T792 PolarHBondContact O-N 3.09Å; H788-T792 VanDerWaalsContact O-N 3.1Å; H788-T792 PolarHBondContact O-OG1 3.08Å; H788-H855 HydrophobicContact CB-CB 4.44Å; H788-H855 AromaticContact CD2-CD2 3.54Å; H788-H855 AromaticContact CD2-CE1 3.54Å; H788-H855 AromaticContact CD2-CG 3.82Å; H788-H855 AromaticContact CD2-ND1 3.87Å; H788-H855 AromaticContact CD2-NE2 3.34Å; H788-H855 PolarHBondContact CD2-NE2 2.75Å; H788-H855 VanDerWaalsContact CD2-NE2 3.34Å; H788-H855 AromaticContact CE1-CG 3.97Å; H788-H855 AromaticContact CE1-ND1 3.83Å; H788-H855 AromaticContact CG-CD2 3.46Å; H788-H855 VanDerWaalsContact CG-CD2 3.46Å; H788-H855 AromaticContact CG-CG 3.65Å; H788-H855 AromaticContact CG-NE2 3.79Å; H788-H855 AromaticContact ND1-CG 3.74Å; H788-H855 AromaticContact NE2-CE1 3.58Å; H788-H855 AromaticContact NE2-ND1 3.72Å; H788-H855 AromaticContact NE2-NE2 3.89Å
789	I	86.3	Confident	87	Confident	23 Å²	23	63.1 Å²	63.1	12%	0.118	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-49.2	171.8	-63.4	167.2	0	0	0	109	F780 C781 F784 I785 P786 V787 T792 L793	F780-I789 HydrophobicContact CD1-CG2 4.47Å; F780-I789 HydrophobicContact CE1-CB 4.25Å; F780-I789 HydrophobicContact CE1-CG1 4.11Å; F780-I789 HydrophobicContact CE1-CG2 4Å; C781-I789 HydrophobicContact CB-CD1 4.16Å; F784-I789 HydrophobicContact CB-CD1 4.28Å; F784-I789 HydrophobicContact CB-CG1 3.66Å; F784-I789 WeakPolarHBondContact O-CD1 3.44Å; I785-I789 PolarHBondContact O-N 3.37Å; P786-I789 WeakPolarHBondContact O-CB 3.35Å; P786-I789 PolarHBondContact O-N 3.14Å; V787-I789 VanDerWaalsContact C-N 3.32Å; V787-I789 PolarHBondContact O-N 3.08Å; I789-T792 PolarHBondContact O-N 2.93Å; I789-L793 HydrophobicContact CG2-CD1 3.93Å; I789-L793 HydrophobicContact CG2-CG 4.44Å; I789-L793 WeakPolarHBondContact O-CB 3.33Å; I789-L793 WeakPolarHBondContact O-CG 3.48Å; I789-L793 PolarHBondContact O-N 3.36Å
790	L	86.7	Confident	87.4	Confident	117 Å²	117	57 Å²	57	61%	0.613	31%	0.308	S	S	*	.	H	α-helix	trans	-61.7	-45.1	-179.7	-173.7	66.5	0	0	0	112.2	P786 V787 T792 L793 Q794	P786-L790 PolarHBondContact O-N 3.37Å; V787-L790 WeakPolarHBondContact O-CB 3.39Å; V787-L790 PolarHBondContact O-N 3.22Å; L790-T792 VanDerWaalsContact C-N 3.34Å; L790-T792 PolarHBondContact O-N 2.94Å; L790-L793 PolarHBondContact O-N 2.97Å; L790-Q794 VanDerWaalsContact O-CB 3.31Å; L790-Q794 WeakPolarHBondContact O-CB 3.5Å; L790-Q794 PolarHBondContact O-N 2.77Å
791	E	87.8	Confident	87.6	Confident	94 Å²	94	59.5 Å²	59.5	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-40	177.9	-72	174.2	145	0	0	112.3	V787 H788 Q794 E795 H855	V787-E791 WeakPolarHBondContact O-CG 3.37Å; V787-E791 PolarHBondContact O-N 2.61Å; H788-E791 IonicContact CD2-OE2 3.7Å; E791-Q794 PolarHBondContact O-N 3.28Å; E791-E795 PolarHBondContact O-N 2.7Å; E791-H855 IonicContact OE2-CD2 2.65Å; E791-H855 IonicContact OE2-CE1 3.76Å; E791-H855 IonicContact OE2-NE2 2.96Å; E791-H855 PolarHBondContact OE2-NE2 2.79Å
792	T	87.4	Confident	87.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-43.9	177.4	-54.3	0	0	0	0	111.2	F780 H788 I789 L790 E795 L796 F851 V853 L861	F780-T792 HydrophobicContact CE2-CG2 4.38Å; F780-T792 HydrophobicContact CZ-CG2 3.74Å; H788-T792 WeakPolarHBondContact O-CB 3.24Å; H788-T792 PolarHBondContact O-N 3.09Å; H788-T792 VanDerWaalsContact O-N 3.1Å; H788-T792 PolarHBondContact O-OG1 3.08Å; I789-T792 PolarHBondContact O-N 2.93Å; L790-T792 VanDerWaalsContact C-N 3.34Å; L790-T792 PolarHBondContact O-N 2.94Å; T792-E795 PolarHBondContact O-N 2.91Å; T792-L796 VanDerWaalsContact O-CB 3.28Å; T792-L796 WeakPolarHBondContact O-CB 3.28Å; T792-L796 PolarHBondContact O-N 3.14Å; T792-F851 HydrophobicContact CG2-CE1 4.17Å; T792-F851 HydrophobicContact CG2-CZ 4.18Å; T792-V853 HydrophobicContact CG2-CG1 4.05Å; T792-V853 HydrophobicContact CG2-CG2 4.03Å; T792-L861 HydrophobicContact CG2-CD1 3.9Å
793	L	87	Confident	88	Confident	30 Å²	30	54.9 Å²	54.9	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-39.6	176.2	-72.7	176.6	0	0	0	111.9	F777 I789 L790 L796 Y797	F777-L793 HydrophobicContact CE2-CD1 4.07Å; F777-L793 HydrophobicContact CE2-CD2 3.89Å; F777-L793 HydrophobicContact CE2-CG 4.36Å; F777-L793 HydrophobicContact CZ-CD1 3.95Å; F777-L793 HydrophobicContact CZ-CD2 4.48Å; I789-L793 HydrophobicContact CG2-CD1 3.93Å; I789-L793 HydrophobicContact CG2-CG 4.44Å; I789-L793 WeakPolarHBondContact O-CB 3.33Å; I789-L793 WeakPolarHBondContact O-CG 3.48Å; I789-L793 PolarHBondContact O-N 3.36Å; L790-L793 PolarHBondContact O-N 2.97Å; L793-L796 PolarHBondContact O-N 3.19Å; L793-Y797 HydrophobicContact CB-CD2 4.31Å; L793-Y797 HydrophobicContact CB-CE2 4.29Å; L793-Y797 HydrophobicContact CD2-CE2 3.95Å; L793-Y797 WeakPolarHBondContact O-CB 3.45Å; L793-Y797 WeakPolarHBondContact O-CD2 3.25Å; L793-Y797 PolarHBondContact O-N 2.86Å
794	Q	87.9	Confident	88.3	Confident	121 Å²	121	52.7 Å²	52.7	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-61.1	-47.1	176.1	-175.9	64.4	32.7	0	0	110.9	L790 E791 S798	L790-Q794 VanDerWaalsContact O-CB 3.31Å; L790-Q794 WeakPolarHBondContact O-CB 3.5Å; L790-Q794 PolarHBondContact O-N 2.77Å; E791-Q794 PolarHBondContact O-N 3.28Å; Q794-S798 PolarHBondContact NE2-OG 2.86Å; Q794-S798 WeakPolarHBondContact O-CB 3.35Å; Q794-S798 PolarHBondContact O-N 2.82Å; Q794-S798 PolarHBondContact O-OG 2.79Å
795	E	88.5	Confident	88.3	Confident	54 Å²	54	58.1 Å²	58.1	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-41.7	178.6	-168.6	171.5	-151.2	0	0	112	E791 T792 S799 F851 R854	E791-E795 PolarHBondContact O-N 2.7Å; T792-E795 PolarHBondContact O-N 2.91Å; E795-S799 WeakPolarHBondContact O-CB 3.48Å; E795-S799 PolarHBondContact O-N 2.95Å; E795-S799 PolarHBondContact O-OG 3.5Å; E795-F851 HydrophobicContact CB-CE2 4.28Å; E795-F851 HydrophobicContact CG-CE2 3.97Å; E795-R854 VanDerWaalsContact CD-NE 3.33Å; E795-R854 IonicContact OE1-CZ 3.38Å; E795-R854 IonicContact OE1-NE 3.08Å; E795-R854 PolarHBondContact OE1-NE 2.85Å; E795-R854 VanDerWaalsContact OE1-NE 3.08Å; E795-R854 IonicContact OE1-NH2 2.82Å; E795-R854 PolarHBondContact OE1-NH2 3.25Å; E795-R854 IonicContact OE2-CZ 3.82Å; E795-R854 IonicContact OE2-NE 3Å; E795-R854 PolarHBondContact OE2-NE 3.35Å; E795-R854 IonicContact OE2-NH2 3.93Å
796	L	89.4	Confident	88.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-57.1	177.6	-177.3	65.8	0	0	0	111.6	V774 T792 L793 S799 F800 F847 M848 F851	V774-L796 HydrophobicContact CG2-CD2 4.16Å; T792-L796 VanDerWaalsContact O-CB 3.28Å; T792-L796 WeakPolarHBondContact O-CB 3.28Å; T792-L796 PolarHBondContact O-N 3.14Å; L793-L796 PolarHBondContact O-N 3.19Å; L796-S799 WeakPolarHBondContact O-CB 3.4Å; L796-S799 PolarHBondContact O-N 2.77Å; L796-F800 HydrophobicContact CD1-CD1 4.39Å; L796-F800 HydrophobicContact CD1-CE1 3.56Å; L796-F800 HydrophobicContact CD1-CE2 4.22Å; L796-F800 HydrophobicContact CD1-CZ 3.46Å; L796-F800 VanDerWaalsContact CD1-CZ 3.46Å; L796-F800 HydrophobicContact CD2-CE2 4.49Å; L796-F800 HydrophobicContact CD2-CZ 4.4Å; L796-F800 HydrophobicContact CG-CE1 4.17Å; L796-F800 HydrophobicContact CG-CE2 4.07Å; L796-F800 HydrophobicContact CG-CZ 3.83Å; L796-F800 VanDerWaalsContact O-CD1 3.32Å; L796-F800 WeakPolarHBondContact O-CD1 3.19Å; L796-F800 WeakPolarHBondContact O-CG 3.13Å; L796-F800 PolarHBondContact O-N 2.68Å; L796-F847 HydrophobicContact CD1-CE1 4.27Å; L796-M848 HydrophobicContact CD1-CE 4.21Å; L796-M848 HydrophobicContact CD1-SD 3.5Å; L796-M848 VanDerWaalsContact CD1-SD 3.5Å; L796-F851 HydrophobicContact CB-CE2 4.27Å; L796-F851 HydrophobicContact CB-CZ 3.99Å; L796-F851 HydrophobicContact CD1-CD1 4.45Å; L796-F851 HydrophobicContact CD1-CD2 4.44Å; L796-F851 HydrophobicContact CD1-CE1 4.35Å; L796-F851 HydrophobicContact CD1-CE2 4.3Å; L796-F851 HydrophobicContact CD1-CG 4.5Å; L796-F851 HydrophobicContact CD1-CZ 4.26Å
797	Y	89.3	Confident	87.9	Confident	53 Å²	53	56.9 Å²	56.9	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-70.5	-33.5	-176.5	-66.5	-32	0	0	0	112.7	L793 S799 F800 D801 Y819	L793-Y797 HydrophobicContact CB-CD2 4.31Å; L793-Y797 HydrophobicContact CB-CE2 4.29Å; L793-Y797 HydrophobicContact CD2-CE2 3.95Å; L793-Y797 WeakPolarHBondContact O-CB 3.45Å; L793-Y797 WeakPolarHBondContact O-CD2 3.25Å; L793-Y797 PolarHBondContact O-N 2.86Å; Y797-S799 PolarHBondContact O-N 2.75Å; Y797-F800 AromaticContact CD1-CD2 3.94Å; Y797-F800 HydrophobicContact CD1-CD2 3.94Å; Y797-F800 HydrophobicContact CD1-CE2 4.35Å; Y797-F800 HydrophobicContact CE1-CD2 4.44Å; Y797-F800 PolarHBondContact O-N 2.77Å; Y797-D801 WeakPolarHBondContact O-CB 3.44Å; Y797-D801 PolarHBondContact O-N 2.95Å; Y797-Y819 AromaticContact CD1-CD2 3.44Å; Y797-Y819 HydrophobicContact CD1-CD2 3.44Å; Y797-Y819 VanDerWaalsContact CD1-CD2 3.44Å; Y797-Y819 AromaticContact CD1-CE2 3.88Å; Y797-Y819 HydrophobicContact CD1-CE2 3.88Å; Y797-Y819 HydrophobicContact CD1-CG 4.3Å; Y797-Y819 AromaticContact CE1-CD2 3.65Å; Y797-Y819 HydrophobicContact CE1-CD2 3.65Å; Y797-Y819 HydrophobicContact CE1-CG 4.2Å; Y797-Y819 HydrophobicContact CG-CD2 4.1Å; Y797-Y819 HydrophobicContact CG-CE2 4.27Å
798	S	88.3	Confident	87.7	Confident	51 Å²	51	59.4 Å²	59.4	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-37.3	172.5	-60	0	0	0	0	111.5	Q794 N802	Q794-S798 PolarHBondContact NE2-OG 2.86Å; Q794-S798 WeakPolarHBondContact O-CB 3.35Å; Q794-S798 PolarHBondContact O-N 2.82Å; Q794-S798 PolarHBondContact O-OG 2.79Å; S798-N802 WeakPolarHBondContact O-CB 3.4Å; S798-N802 PolarHBondContact O-N 3.33Å; S798-N802 VanDerWaalsContact O-N 3.12Å
799	S	89.8	Confident	87.7	Confident	31 Å²	31	57.6 Å²	57.6	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-70.8	-37.9	176.9	-59	0	0	0	0	111.8	E795 L796 Y797 I803 F847	E795-S799 WeakPolarHBondContact O-CB 3.48Å; E795-S799 PolarHBondContact O-N 2.95Å; E795-S799 PolarHBondContact O-OG 3.5Å; L796-S799 WeakPolarHBondContact O-CB 3.4Å; L796-S799 PolarHBondContact O-N 2.77Å; Y797-S799 PolarHBondContact O-N 2.75Å; S799-I803 WeakPolarHBondContact O-CG1 3.27Å; S799-I803 PolarHBondContact O-N 2.78Å; S799-F847 VanDerWaalsContact OG-CZ 3.24Å; S799-F847 WeakPolarHBondContact OG-CZ 3.09Å
800	F	92	Very high	87.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-48.2	174.2	-68.7	3.1	0	0	0	111.1	V772 L796 Y797 N802 I803 V804 Y819 L844 F847 M848 I863	V772-F800 HydrophobicContact CG1-CE2 3.96Å; V772-F800 HydrophobicContact CG1-CZ 4.45Å; L796-F800 HydrophobicContact CD1-CD1 4.39Å; L796-F800 HydrophobicContact CD1-CE1 3.56Å; L796-F800 HydrophobicContact CD1-CE2 4.22Å; L796-F800 HydrophobicContact CD1-CZ 3.46Å; L796-F800 VanDerWaalsContact CD1-CZ 3.46Å; L796-F800 HydrophobicContact CD2-CE2 4.49Å; L796-F800 HydrophobicContact CD2-CZ 4.4Å; L796-F800 HydrophobicContact CG-CE1 4.17Å; L796-F800 HydrophobicContact CG-CE2 4.07Å; L796-F800 HydrophobicContact CG-CZ 3.83Å; L796-F800 VanDerWaalsContact O-CD1 3.32Å; L796-F800 WeakPolarHBondContact O-CD1 3.19Å; L796-F800 WeakPolarHBondContact O-CG 3.13Å; L796-F800 PolarHBondContact O-N 2.68Å; Y797-F800 AromaticContact CD1-CD2 3.94Å; Y797-F800 HydrophobicContact CD1-CD2 3.94Å; Y797-F800 HydrophobicContact CD1-CE2 4.35Å; Y797-F800 HydrophobicContact CE1-CD2 4.44Å; Y797-F800 PolarHBondContact O-N 2.77Å; F800-N802 VanDerWaalsContact C-N 3.27Å; F800-N802 PolarHBondContact O-N 2.8Å; F800-I803 PolarHBondContact O-N 3.07Å; F800-V804 WeakPolarHBondContact O-CG2 3.29Å; F800-V804 PolarHBondContact O-N 3.28Å; F800-Y819 HydrophobicContact CB-CE1 4.11Å; F800-Y819 HydrophobicContact CB-CE2 4.16Å; F800-Y819 HydrophobicContact CD2-CD1 4.22Å; F800-Y819 HydrophobicContact CD2-CD2 4.3Å; F800-Y819 HydrophobicContact CD2-CE1 4.32Å; F800-Y819 HydrophobicContact CD2-CE2 4.38Å; F800-Y819 HydrophobicContact CD2-CG 4.22Å; F800-L844 HydrophobicContact CB-CD2 4.1Å; F800-L844 HydrophobicContact CD1-CD2 3.33Å; F800-L844 HydrophobicContact CD2-CD2 4.43Å; F800-L844 HydrophobicContact CE1-CD2 3.76Å; F800-L844 HydrophobicContact CG-CD2 3.71Å; F800-L844 HydrophobicContact CZ-CD2 4.47Å; F800-F847 HydrophobicContact CD1-CD1 4.33Å; F800-F847 HydrophobicContact CD1-CE1 4.4Å; F800-F847 AromaticContact CE1-CD1 3.93Å; F800-F847 HydrophobicContact CE1-CD1 3.93Å; F800-F847 HydrophobicContact CE1-CE1 4.11Å; F800-M848 HydrophobicContact CE1-SD 4.01Å; F800-M848 HydrophobicContact CZ-SD 3.96Å; F800-I863 HydrophobicContact CZ-CD1 4.39Å; F800-I863 HydrophobicContact CZ-CG2 4.35Å
801	D	88.4	Confident	87.9	Confident	55 Å²	55	55.9 Å²	55.9	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-55.5	-42.6	178.5	-68	-14	0	0	0	110.4	Y797 I803 V804 Q805 K811 Y819	Y797-D801 WeakPolarHBondContact O-CB 3.44Å; Y797-D801 PolarHBondContact O-N 2.95Å; D801-I803 PolarHBondContact O-N 2.57Å; D801-V804 PolarHBondContact O-N 3.37Å; D801-Q805 VanDerWaalsContact O-CB 3.27Å; D801-Q805 WeakPolarHBondContact O-CB 3.39Å; D801-Q805 PolarHBondContact O-N 3.14Å; D801-K811 WeakPolarHBondContact OD1-CD 3.35Å; D801-K811 IonicContact OD1-NZ 3.27Å; D801-K811 PolarHBondContact OD1-NZ 3.15Å; D801-K811 IonicContact OD2-NZ 3.08Å; D801-K811 PolarHBondContact OD2-NZ 3.29Å; D801-Y819 PolarHBondContact N-OH 3.45Å; D801-Y819 WeakPolarHBondContact OD1-CE2 3.46Å; D801-Y819 PolarHBondContact OD1-OH 3.27Å
802	N	88.1	Confident	87.9	Confident	75 Å²	75	51.5 Å²	51.5	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-38.6	175.9	-171.8	-9.1	0	0	0	113.1	S798 F800 K806	S798-N802 WeakPolarHBondContact O-CB 3.4Å; S798-N802 PolarHBondContact O-N 3.33Å; S798-N802 VanDerWaalsContact O-N 3.12Å; F800-N802 VanDerWaalsContact C-N 3.27Å; F800-N802 PolarHBondContact O-N 2.8Å; N802-K806 WeakPolarHBondContact O-CG 3.41Å; N802-K806 PolarHBondContact O-N 3.11Å; N802-K806 WeakPolarHBondContact OD1-CE 3.13Å; N802-K806 PolarHBondContact OD1-NZ 3.29Å
803	I	90.8	Very high	87.3	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.138	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-42.4	175.9	-67.9	166.1	0	0	0	110.5	S799 F800 D801 N807 I840 K843 L844 F847	S799-I803 WeakPolarHBondContact O-CG1 3.27Å; S799-I803 PolarHBondContact O-N 2.78Å; F800-I803 PolarHBondContact O-N 3.07Å; D801-I803 PolarHBondContact O-N 2.57Å; I803-N807 PolarHBondContact O-OD1 3.08Å; I803-I840 HydrophobicContact CG2-CG2 4.23Å; I803-K843 HydrophobicContact CG2-CB 3.88Å; I803-K843 HydrophobicContact CG2-CD 3.98Å; I803-L844 HydrophobicContact CB-CD2 4.39Å; I803-L844 HydrophobicContact CD1-CD2 3.79Å; I803-L844 HydrophobicContact CG2-CD2 4.39Å; I803-F847 HydrophobicContact CD1-CB 4.22Å; I803-F847 HydrophobicContact CD1-CG 4.47Å
804	V	89.6	Confident	86.1	Confident	5 Å²	5	58 Å²	58	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-47.7	178.7	173.7	0	0	0	0	110.7	F800 D801 K806 N807 A809 Y819 I821 I840	F800-V804 WeakPolarHBondContact O-CG2 3.29Å; F800-V804 PolarHBondContact O-N 3.28Å; D801-V804 PolarHBondContact O-N 3.37Å; V804-K806 VanDerWaalsContact C-N 3.26Å; V804-K806 PolarHBondContact O-N 2.99Å; V804-N807 CarbonylContact O-C 3.49Å; V804-N807 WeakPolarHBondContact O-CA 3.23Å; V804-N807 PolarHBondContact O-N 2.84Å; V804-A809 HydrophobicContact CG1-CB 4.16Å; V804-A809 WeakPolarHBondContact CG1-O 3.47Å; V804-Y819 HydrophobicContact CG2-CE1 4.43Å; V804-I821 HydrophobicContact CG1-CG2 4.3Å; V804-I821 HydrophobicContact CG2-CD1 3.68Å; V804-I821 HydrophobicContact CG2-CG1 3.93Å; V804-I821 HydrophobicContact CG2-CG2 4.31Å; V804-I840 HydrophobicContact CG2-CG2 4.42Å
805	Q	83.3	Confident	84.6	Confident	137 Å²	137	56.9 Å²	56.9	64%	0.64	29%	0.285	S	S	*	.	H	α-helix	trans	-62.5	-29.6	-178	-167.7	-178.9	23.7	0	0	113.4	D801 N807	D801-Q805 VanDerWaalsContact O-CB 3.27Å; D801-Q805 WeakPolarHBondContact O-CB 3.39Å; D801-Q805 PolarHBondContact O-N 3.14Å; Q805-N807 PolarHBondContact O-N 3.01Å
806	K	85.1	Confident	83.4	Confident	153 Å²	153	56.8 Å²	56.8	67%	0.665	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.4	174.9	-77.6	172.4	175.9	154.4	0	113.7	N802 V804	N802-K806 WeakPolarHBondContact O-CG 3.41Å; N802-K806 PolarHBondContact O-N 3.11Å; N802-K806 WeakPolarHBondContact OD1-CE 3.13Å; N802-K806 PolarHBondContact OD1-NZ 3.29Å; V804-K806 VanDerWaalsContact C-N 3.26Å; V804-K806 PolarHBondContact O-N 2.99Å
807	N	82.9	Confident	82.4	Confident	23 Å²	23	63.2 Å²	63.2	12%	0.123	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	166.5	180	-81.4	91.7	0	0	0	109.3	I803 V804 Q805 A809 E836 I840 K843	I803-N807 PolarHBondContact O-OD1 3.08Å; V804-N807 CarbonylContact O-C 3.49Å; V804-N807 WeakPolarHBondContact O-CA 3.23Å; V804-N807 PolarHBondContact O-N 2.84Å; Q805-N807 PolarHBondContact O-N 3.01Å; N807-A809 PolarHBondContact O-N 2.89Å; N807-E836 PolarHBondContact ND2-OE2 3.25Å; N807-I840 HydrophobicContact CB-CD1 3.66Å; N807-I840 HydrophobicContact CB-CG1 3.69Å; N807-K843 PolarHBondContact OD1-NZ 3.24Å
808	K	84.8	Confident	82.1	Confident	140 Å²	140	61.6 Å²	61.6	61%	0.609	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	50.8	-178.5	-62.3	-172.7	177.4	-171.6	0	111.9	S823 M828 E836	K808-S823 PolarHBondContact O-OG 2.85Å; K808-M828 HydrophobicContact CB-CE 3.26Å; K808-M828 HydrophobicContact CD-CE 4.1Å; K808-M828 HydrophobicContact CG-CE 4.34Å; K808-M828 WeakPolarHBondContact O-CE 3.25Å; K808-E836 HydrophobicContact CB-CG 4.4Å
809	A	88.5	Confident	82.1	Confident	17 Å²	17	59.3 Å²	59.3	14%	0.14	31%	0.314	C	S	.	.			trans	-126.5	160.8	-179.5	0	0	0	0	0	110.7	V804 N807 I821 C822 I837 I840	V804-A809 HydrophobicContact CG1-CB 4.16Å; V804-A809 WeakPolarHBondContact CG1-O 3.47Å; N807-A809 PolarHBondContact O-N 2.89Å; A809-I821 HydrophobicContact CB-CG2 3.69Å; A809-C822 WeakPolarHBondContact CA-O 3.36Å; A809-I837 HydrophobicContact CB-CD1 4.33Å; A809-I840 HydrophobicContact CB-CD1 3.33Å
810	F	87.9	Confident	82.2	Confident	30 Å²	30	58.2 Å²	58.2	13%	0.132	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.3	-177.7	-174.5	-99.5	0	0	0	110.1	P746 I821 C822 F884	P746-F810 VanDerWaalsContact CD-CZ 3.48Å; P746-F810 HydrophobicContact CG-CD1 3.82Å; P746-F810 HydrophobicContact CG-CD2 4.2Å; P746-F810 HydrophobicContact CG-CE1 3.79Å; P746-F810 HydrophobicContact CG-CE2 4.19Å; P746-F810 HydrophobicContact CG-CG 4.04Å; P746-F810 HydrophobicContact CG-CZ 3.99Å; F810-I821 CarbonylContact O-C 3.59Å; F810-I821 WeakPolarHBondContact O-CA 3.38Å; F810-C822 PolarHBondContact N-O 3.09Å; F810-C822 PolarHBondContact O-N 3.07Å; F810-F884 AromaticContact CD1-CD1 3.87Å; F810-F884 HydrophobicContact CD1-CD1 3.87Å; F810-F884 HydrophobicContact CD1-CE1 4.09Å; F810-F884 HydrophobicContact CE1-CB 4.27Å; F810-F884 AromaticContact CE1-CD1 3.54Å; F810-F884 HydrophobicContact CE1-CD1 3.54Å; F810-F884 HydrophobicContact CE1-CE1 4.22Å; F810-F884 HydrophobicContact CE1-CG 4.15Å
811	K	89.1	Confident	82.2	Confident	74 Å²	74	58.2 Å²	58.2	32%	0.322	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.9	174.5	175.5	-167.5	-173.4	169.3	0	108.6	D801 Y819	D801-K811 WeakPolarHBondContact OD1-CD 3.35Å; D801-K811 IonicContact OD1-NZ 3.27Å; D801-K811 PolarHBondContact OD1-NZ 3.15Å; D801-K811 IonicContact OD2-NZ 3.08Å; D801-K811 PolarHBondContact OD2-NZ 3.29Å; K811-Y819 HydrophobicContact CD-CE2 3.89Å; K811-Y819 HydrophobicContact CG-CE1 4.47Å; K811-Y819 HydrophobicContact CG-CE2 4.25Å
812	V	87.2	Confident	82.4	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.1	178.2	-173.2	0	0	0	0	108.9	N814 L820 C822 F884 I886	V812-N814 PolarHBondContact O-N 3.02Å; V812-L820 HydrophobicContact CB-CB 4.46Å; V812-L820 HydrophobicContact CB-CD2 3.91Å; V812-L820 HydrophobicContact CB-CG 4.01Å; V812-L820 HydrophobicContact CG1-CD2 4.14Å; V812-L820 HydrophobicContact CG2-CD2 4.43Å; V812-L820 HydrophobicContact CG2-CG 4.32Å; V812-L820 PolarHBondContact N-O 3.39Å; V812-C822 HydrophobicContact CG2-CB 3.86Å; V812-C822 WeakPolarHBondContact CG2-SG 3.5Å; V812-F884 HydrophobicContact CG1-CD1 4.41Å; V812-F884 WeakPolarHBondContact CG1-O 3.14Å; V812-F884 HydrophobicContact CG2-CE1 4.37Å; V812-I886 HydrophobicContact CG1-CG1 4.05Å; V812-I886 HydrophobicContact CG1-CG2 4.4Å; V812-I886 HydrophobicContact CG2-CD1 4.1Å; V812-I886 HydrophobicContact CG2-CG1 4.39Å; V812-I886 HydrophobicContact CG2-CG2 4.42Å
813	E	75.9	Confident	82.6	Confident	94 Å²	94	52.2 Å²	52.2	44%	0.439	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-63.3	132.3	171.3	-78.2	-144.9	162.2	0	0	111.3	R883	E813-R883 WeakPolarHBondContact OE2-CD 3.15Å; E813-R883 WeakPolarHBondContact OE2-CG 3.38Å; E813-R883 IonicContact OE2-CZ 2.69Å; E813-R883 IonicContact OE2-NE 2.7Å; E813-R883 PolarHBondContact OE2-NE 3.12Å; E813-R883 IonicContact OE2-NH1 3.39Å
814	N	61.9	Low	82.5	Confident	74 Å²	74	51 Å²	51	40%	0.396	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.2	145	-158.7	-59.8	-8.3	0	0	0	114.2	V812 G816 A818	V812-N814 PolarHBondContact O-N 3.02Å; N814-G816 WeakPolarHBondContact CB-O 3.48Å; N814-G816 PolarHBondContact ND2-O 3.24Å; N814-A818 PolarHBondContact ND2-O 3.21Å; N814-A818 PolarHBondContact OD1-O 3.47Å; N814-A818 VanDerWaalsContact OD1-O 3.11Å
815	V	56.9	Low	82.3	Confident	99 Å²	99	51.5 Å²	51.5	60%	0.6	27%	0.27	S	S	*	.	S	Bend	trans	-96.5	87.8	150.7	-175.5	0	0	0	0	106.6
816	G	62	Low	81.9	Confident	52 Å²	52	48.5 Å²	48.5	54%	0.536	26%	0.262	S	S	.	.	S	Bend	trans	99.8	-151.4	179.4	0	0	0	0	0	115.3	N814	N814-G816 WeakPolarHBondContact CB-O 3.48Å; N814-G816 PolarHBondContact ND2-O 3.24Å
817	D	68.7	Low	81.4	Confident	135 Å²	135	47.4 Å²	47.4	72%	0.722	26%	0.26	S	S	*	.	S	Bend	trans	-91.5	-2.3	-168.9	-57.4	-17.8	0	0	0	113.8
818	A	83.2	Confident	81.2	Confident	19 Å²	19	48.2 Å²	48.2	16%	0.157	26%	0.263	C	S	.	.	S	Bend	trans	-93.9	145.2	-174.5	0	0	0	0	0	112.2	V771 N814 L820	V771-A818 HydrophobicContact CG1-CB 3.58Å; N814-A818 PolarHBondContact ND2-O 3.21Å; N814-A818 PolarHBondContact OD1-O 3.47Å; N814-A818 VanDerWaalsContact OD1-O 3.11Å; A818-L820 PolarHBondContact O-N 3.14Å
819	Y	89.1	Confident	80.9	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110	176.7	-175.2	-78.7	0	0	0	109.4	V772 Y797 F800 D801 V804 K811 I821	V772-Y819 HydrophobicContact CG2-CD1 4.43Å; V772-Y819 PolarHBondContact N-O 3.46Å; V772-Y819 PolarHBondContact O-N 3.08Å; Y797-Y819 AromaticContact CD1-CD2 3.44Å; Y797-Y819 HydrophobicContact CD1-CD2 3.44Å; Y797-Y819 VanDerWaalsContact CD1-CD2 3.44Å; Y797-Y819 AromaticContact CD1-CE2 3.88Å; Y797-Y819 HydrophobicContact CD1-CE2 3.88Å; Y797-Y819 HydrophobicContact CD1-CG 4.3Å; Y797-Y819 AromaticContact CE1-CD2 3.65Å; Y797-Y819 HydrophobicContact CE1-CD2 3.65Å; Y797-Y819 HydrophobicContact CE1-CG 4.2Å; Y797-Y819 HydrophobicContact CG-CD2 4.1Å; Y797-Y819 HydrophobicContact CG-CE2 4.27Å; F800-Y819 HydrophobicContact CB-CE1 4.11Å; F800-Y819 HydrophobicContact CB-CE2 4.16Å; F800-Y819 HydrophobicContact CD2-CD1 4.22Å; F800-Y819 HydrophobicContact CD2-CD2 4.3Å; F800-Y819 HydrophobicContact CD2-CE1 4.32Å; F800-Y819 HydrophobicContact CD2-CE2 4.38Å; F800-Y819 HydrophobicContact CD2-CG 4.22Å; D801-Y819 PolarHBondContact N-OH 3.45Å; D801-Y819 WeakPolarHBondContact OD1-CE2 3.46Å; D801-Y819 PolarHBondContact OD1-OH 3.27Å; V804-Y819 HydrophobicContact CG2-CE1 4.43Å; K811-Y819 HydrophobicContact CD-CE2 3.89Å; K811-Y819 HydrophobicContact CG-CE1 4.47Å; K811-Y819 HydrophobicContact CG-CE2 4.25Å; Y819-I821 HydrophobicContact CD1-CD1 3.98Å; Y819-I821 HydrophobicContact CD1-CG1 3.82Å; Y819-I821 HydrophobicContact CE1-CD1 3.66Å; Y819-I821 HydrophobicContact CE1-CG1 3.47Å; Y819-I821 VanDerWaalsContact CE1-CG1 3.47Å
820	L	91.6	Very high	80.7	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.9	-172.2	177.9	62.5	0	0	0	111.7	L769 V771 V812 A818 I886	L769-L820 HydrophobicContact CB-CD1 4.46Å; V771-L820 HydrophobicContact CG2-CD1 3.68Å; V812-L820 HydrophobicContact CB-CB 4.46Å; V812-L820 HydrophobicContact CB-CD2 3.91Å; V812-L820 HydrophobicContact CB-CG 4.01Å; V812-L820 HydrophobicContact CG1-CD2 4.14Å; V812-L820 HydrophobicContact CG2-CD2 4.43Å; V812-L820 HydrophobicContact CG2-CG 4.32Å; V812-L820 PolarHBondContact N-O 3.39Å; A818-L820 PolarHBondContact O-N 3.14Å; L820-I886 HydrophobicContact CD2-CD1 4.1Å; L820-I886 HydrophobicContact CD2-CG1 4.2Å
821	I	92.4	Very high	80.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.9	177.1	-56.3	157.9	0	0	0	108.5	L769 L770 V772 V804 A809 F810 Y819 I837 I840 L844	L769-I821 WeakPolarHBondContact CA-O 3.04Å; L770-I821 HydrophobicContact CB-CB 4.23Å; L770-I821 HydrophobicContact CD2-CD1 3.66Å; L770-I821 HydrophobicContact CG-CD1 4.14Å; L770-I821 PolarHBondContact N-O 2.79Å; L770-I821 PolarHBondContact O-N 2.82Å; V772-I821 HydrophobicContact CG2-CD1 4.38Å; V804-I821 HydrophobicContact CG1-CG2 4.3Å; V804-I821 HydrophobicContact CG2-CD1 3.68Å; V804-I821 HydrophobicContact CG2-CG1 3.93Å; V804-I821 HydrophobicContact CG2-CG2 4.31Å; A809-I821 HydrophobicContact CB-CG2 3.69Å; F810-I821 CarbonylContact O-C 3.59Å; F810-I821 WeakPolarHBondContact O-CA 3.38Å; Y819-I821 HydrophobicContact CD1-CD1 3.98Å; Y819-I821 HydrophobicContact CD1-CG1 3.82Å; Y819-I821 HydrophobicContact CE1-CD1 3.66Å; Y819-I821 HydrophobicContact CE1-CG1 3.47Å; Y819-I821 VanDerWaalsContact CE1-CG1 3.47Å; I821-I837 HydrophobicContact CB-CD1 4.43Å; I821-I837 HydrophobicContact CG2-CD1 3.74Å; I821-I840 HydrophobicContact CD1-CG2 4.13Å; I821-L844 HydrophobicContact CD1-CD1 4.13Å
822	C	91.6	Very high	80.7	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.8	172	73.4	0	0	0	0	111.4	V767 L769 A809 F810 V812 I886	V767-C822 HydrophobicContact CG1-CB 4.21Å; L769-C822 HydrophobicContact CD2-CB 3.55Å; A809-C822 WeakPolarHBondContact CA-O 3.36Å; F810-C822 PolarHBondContact N-O 3.09Å; F810-C822 PolarHBondContact O-N 3.07Å; V812-C822 HydrophobicContact CG2-CB 3.86Å; V812-C822 WeakPolarHBondContact CG2-SG 3.5Å; C822-I886 HydrophobicContact CB-CD1 4.3Å
823	S	92.2	Very high	81	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.5	169.5	-176.6	0	0	0	0	109.2	V767 T768 K808 M828 H833	V767-S823 WeakPolarHBondContact CG1-O 3.39Å; T768-S823 PolarHBondContact N-O 3.41Å; T768-S823 PolarHBondContact O-N 3.42Å; K808-S823 PolarHBondContact O-OG 2.85Å; S823-M828 WeakPolarHBondContact OG-CE 3.23Å; S823-H833 WeakPolarHBondContact O-CB 3.29Å; S823-H833 WeakPolarHBondContact OG-CA 3.5Å; S823-H833 WeakPolarHBondContact OG-CB 3.3Å
824	G	87.9	Confident	81.8	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	28%	0.275	C	S	.	.			trans	111.6	7.7	-173.2	0	0	0	0	0	114.4	P826 E827	G824-P826 CarbonylContact C-O 3.52Å; G824-P826 CarbonylContact O-C 3.55Å; G824-P826 VanDerWaalsContact O-C 3.28Å; G824-E827 VanDerWaalsContact O-CA 3.27Å; G824-E827 WeakPolarHBondContact O-CA 3.3Å; G824-E827 PolarHBondContact O-N 2.9Å
825	I	85.9	Confident	83.3	Confident	16 Å²	16	48 Å²	48	8%	0.082	27%	0.273	C	S	.	.	S	Bend	trans	-126.9	108.5	172.4	-52.2	175.8	0	0	0	107.9	V767 V872 A874 F884 I886	V767-I825 HydrophobicContact CG1-CD1 4.41Å; V767-I825 HydrophobicContact CG1-CG1 4.35Å; V767-I825 HydrophobicContact CG2-CD1 4.29Å; V767-I825 HydrophobicContact CG2-CG1 3.96Å; I825-V872 HydrophobicContact CD1-CG2 4.35Å; I825-A874 HydrophobicContact CD1-CB 3.77Å; I825-F884 HydrophobicContact CD1-CZ 4.05Å; I825-F884 HydrophobicContact CG2-CE2 4.48Å; I825-F884 HydrophobicContact CG2-CZ 3.93Å; I825-I886 HydrophobicContact CD1-CG2 4.09Å
826	P	76	Confident	85	Confident	73 Å²	73	44.9 Å²	44.9	47%	0.474	25%	0.252	S	S	.	.	S	Bend	cis	-65.6	160.8	-1.4	29.3	-35.7	0	0	0	113.1	G824 M828	G824-P826 CarbonylContact C-O 3.52Å; G824-P826 CarbonylContact O-C 3.55Å; G824-P826 VanDerWaalsContact O-C 3.28Å; P826-M828 PolarHBondContact O-N 3.34Å
827	E	74.4	Confident	86.5	Confident	131 Å²	131	42.4 Å²	42.4	61%	0.612	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-53.3	133.3	-173.6	-70.3	-165.9	159	0	0	112.9	H764 G824	H764-E827 IonicContact ND1-OE1 3.76Å; G824-E827 VanDerWaalsContact O-CA 3.27Å; G824-E827 WeakPolarHBondContact O-CA 3.3Å; G824-E827 PolarHBondContact O-N 2.9Å
828	M	78.7	Confident	87.8	Confident	40 Å²	40	36 Å²	36	20%	0.197	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-103.2	145.1	175.5	-67.3	-170.3	-179.2	0	0	110.6	K808 S823 P826 G830 R832 H833	K808-M828 HydrophobicContact CB-CE 3.26Å; K808-M828 HydrophobicContact CD-CE 4.1Å; K808-M828 HydrophobicContact CG-CE 4.34Å; K808-M828 WeakPolarHBondContact O-CE 3.25Å; S823-M828 WeakPolarHBondContact OG-CE 3.23Å; P826-M828 PolarHBondContact O-N 3.34Å; M828-G830 PolarHBondContact O-N 2.87Å; M828-R832 HydrophobicContact SD-CB 4.41Å; M828-H833 HydrophobicContact SD-CB 4.03Å
829	S	78.6	Confident	88.2	Confident	76 Å²	76	37.3 Å²	37.3	53%	0.531	19%	0.194	S	C	.	.	S	Bend	trans	-65.2	123.8	176.5	74.5	0	0	0	0	111.6	R832	S829-R832 WeakPolarHBondContact O-CG 3.19Å; S829-R832 PolarHBondContact O-NE 2.94Å; S829-R832 PolarHBondContact OG-NE 3.41Å; S829-R832 PolarHBondContact OG-NH2 2.76Å
830	G	82.8	Confident	88.5	Confident	53 Å²	53	37.1 Å²	37.1	55%	0.546	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-152.7	179.3	0	0	0	0	0	112.9	M828 R832 H833	M828-G830 PolarHBondContact O-N 2.87Å; G830-R832 PolarHBondContact O-N 3.38Å; G830-H833 PolarHBondContact O-CD2 3.22Å; G830-H833 PolarHBondContact O-NE2 3.16Å
831	F	88	Confident	88.6	Confident	78 Å²	78	36.8 Å²	36.8	34%	0.342	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	23.8	-174.8	-59.3	-79.4	0	0	0	114.4	H833 L834 T915 K919 F920	F831-H833 PolarHBondContact O-N 3.07Å; F831-L834 WeakPolarHBondContact O-CB 3.49Å; F831-L834 PolarHBondContact O-N 2.96Å; F831-L834 VanDerWaalsContact O-N 3.16Å; F831-T915 HydrophobicContact CB-CG2 4.38Å; F831-T915 HydrophobicContact CD1-CG2 3.46Å; F831-T915 VanDerWaalsContact CD1-CG2 3.46Å; F831-T915 HydrophobicContact CD2-CG2 4.34Å; F831-T915 HydrophobicContact CE1-CG2 3.71Å; F831-T915 HydrophobicContact CG-CG2 3.8Å; F831-T915 HydrophobicContact CZ-CG2 4.25Å; F831-K919 HydrophobicContact CB-CG 4.41Å; F831-K919 HydrophobicContact CD2-CD 4.2Å; F831-K919 HydrophobicContact CD2-CG 3.78Å; F831-K919 HydrophobicContact CE2-CG 4.42Å; F831-K919 HydrophobicContact CG-CG 4.27Å; F831-F920 HydrophobicContact CB-CE2 3.98Å; F831-F920 HydrophobicContact CB-CZ 4.41Å; F831-F920 WeakPolarHBondContact O-CE2 3.29Å; F831-F920 WeakPolarHBondContact O-CZ 3.08Å
832	R	90.2	Very high	88.7	Confident	122 Å²	122	37.7 Å²	37.7	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-30.9	-178	-73.1	-165.7	-67.6	174.4	-0.8	112.7	M828 S829 G830 L834 R835 E836	M828-R832 HydrophobicContact SD-CB 4.41Å; S829-R832 WeakPolarHBondContact O-CG 3.19Å; S829-R832 PolarHBondContact O-NE 2.94Å; S829-R832 PolarHBondContact OG-NE 3.41Å; S829-R832 PolarHBondContact OG-NH2 2.76Å; G830-R832 PolarHBondContact O-N 3.38Å; R832-L834 VanDerWaalsContact C-N 3.26Å; R832-L834 PolarHBondContact O-N 3.23Å; R832-R835 PolarHBondContact O-N 2.85Å; R832-E836 PolarHBondContact O-N 3.44Å; R832-E836 VanDerWaalsContact O-N 3.12Å
833	H	92.4	Very high	88.7	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-37.7	175.5	51.5	81.2	0	0	0	112.7	T768 S823 M828 G830 F831 E836 I837	T768-H833 PolarHBondContact OG1-ND1 3.5Å; S823-H833 WeakPolarHBondContact O-CB 3.29Å; S823-H833 WeakPolarHBondContact OG-CA 3.5Å; S823-H833 WeakPolarHBondContact OG-CB 3.3Å; M828-H833 HydrophobicContact SD-CB 4.03Å; G830-H833 PolarHBondContact O-CD2 3.22Å; G830-H833 PolarHBondContact O-NE2 3.16Å; F831-H833 PolarHBondContact O-N 3.07Å; H833-E836 PolarHBondContact O-N 2.82Å; H833-I837 WeakPolarHBondContact O-CG1 3.34Å; H833-I837 PolarHBondContact O-N 2.93Å
834	L	94.3	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-46.3	177.1	175	55.5	0	0	0	111.4	T768 F831 R832 E836 I837 C838 I867 T912 T915 L916	T768-L834 HydrophobicContact CG2-CD1 3.92Å; T768-L834 WeakPolarHBondContact OG1-CA 3.32Å; T768-L834 PolarHBondContact OG1-N 2.97Å; F831-L834 WeakPolarHBondContact O-CB 3.49Å; F831-L834 PolarHBondContact O-N 2.96Å; F831-L834 VanDerWaalsContact O-N 3.16Å; R832-L834 VanDerWaalsContact C-N 3.26Å; R832-L834 PolarHBondContact O-N 3.23Å; L834-E836 VanDerWaalsContact C-N 3.33Å; L834-E836 PolarHBondContact O-N 2.72Å; L834-I837 PolarHBondContact O-N 3.19Å; L834-C838 PolarHBondContact O-N 3.17Å; L834-C838 PolarHBondContact O-SG 2.85Å; L834-C838 VanDerWaalsContact O-SG 3.32Å; L834-I867 HydrophobicContact CD1-CG2 4.45Å; L834-T912 HydrophobicContact CD1-CG2 3.42Å; L834-T912 VanDerWaalsContact CD1-CG2 3.42Å; L834-T912 HydrophobicContact CD2-CG2 4.3Å; L834-T915 HydrophobicContact CD2-CG2 3.88Å; L834-L916 HydrophobicContact CD1-CD1 4.48Å; L834-L916 HydrophobicContact CD2-CB 4.04Å; L834-L916 HydrophobicContact CD2-CD1 4.15Å; L834-L916 HydrophobicContact CG-CD1 3.95Å
835	R	92.4	Very high	89	Confident	94 Å²	94	43.7 Å²	43.7	36%	0.355	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-42.3	176.9	179.6	-178.9	-172.8	-155.9	3.6	112.4	R832 C838 K839 F920 F923	R832-R835 PolarHBondContact O-N 2.85Å; R835-C838 PolarHBondContact O-N 3.21Å; R835-K839 HydrophobicContact CG-CD 4.49Å; R835-K839 WeakPolarHBondContact O-CG 3.32Å; R835-K839 PolarHBondContact O-N 3.26Å; R835-K839 VanDerWaalsContact O-N 3.08Å; R835-F920 HydrophobicContact CB-CD1 4.24Å; R835-F920 HydrophobicContact CB-CD2 4.26Å; R835-F920 HydrophobicContact CB-CE1 3.96Å; R835-F920 HydrophobicContact CB-CE2 3.97Å; R835-F920 HydrophobicContact CB-CG 4.38Å; R835-F920 HydrophobicContact CB-CZ 3.81Å; R835-F920 HydrophobicContact CG-CD1 4.34Å; R835-F920 HydrophobicContact CG-CE1 4.32Å; R835-F923 HydrophobicContact CG-CE2 4.04Å; R835-F923 HydrophobicContact CG-CZ 4.18Å
836	E	92	Very high	89.2	Confident	33 Å²	33	45.5 Å²	45.5	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-45.8	179.5	-71.2	-59.9	134.1	0	0	111.3	N807 K808 R832 H833 L834 K839 I840	N807-E836 PolarHBondContact ND2-OE2 3.25Å; K808-E836 HydrophobicContact CB-CG 4.4Å; R832-E836 PolarHBondContact O-N 3.44Å; R832-E836 VanDerWaalsContact O-N 3.12Å; H833-E836 PolarHBondContact O-N 2.82Å; L834-E836 VanDerWaalsContact C-N 3.33Å; L834-E836 PolarHBondContact O-N 2.72Å; E836-K839 PolarHBondContact O-N 2.63Å; E836-I840 WeakPolarHBondContact O-CG1 3.46Å; E836-I840 PolarHBondContact O-N 3.39Å
837	I	95.1	Very high	89.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-42.8	177.4	-69.9	-67.1	0	0	0	112.1	T768 L770 A809 I821 H833 L834 K839 I840 S841 I867	T768-I837 HydrophobicContact CG2-CB 3.76Å; T768-I837 HydrophobicContact CG2-CG1 3.83Å; T768-I837 HydrophobicContact CG2-CG2 3.79Å; L770-I837 HydrophobicContact CB-CD1 4.1Å; L770-I837 HydrophobicContact CB-CG2 3.63Å; L770-I837 HydrophobicContact CD2-CG2 4.33Å; L770-I837 HydrophobicContact CG-CG2 4.49Å; A809-I837 HydrophobicContact CB-CD1 4.33Å; I821-I837 HydrophobicContact CB-CD1 4.43Å; I821-I837 HydrophobicContact CG2-CD1 3.74Å; H833-I837 WeakPolarHBondContact O-CG1 3.34Å; H833-I837 PolarHBondContact O-N 2.93Å; L834-I837 PolarHBondContact O-N 3.19Å; I837-K839 VanDerWaalsContact C-N 3.28Å; I837-K839 PolarHBondContact O-N 3.46Å; I837-I840 HydrophobicContact CD1-CD1 4.41Å; I837-I840 PolarHBondContact O-N 2.9Å; I837-S841 PolarHBondContact O-N 2.93Å; I837-S841 PolarHBondContact O-OG 3.26Å; I837-I867 HydrophobicContact CG2-CD1 4.05Å; I837-I867 HydrophobicContact CG2-CG1 4.07Å; I837-I867 HydrophobicContact CG2-CG2 3.85Å
838	C	94.4	Very high	90.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-33.8	175.8	-68.6	0	0	0	0	112.7	L834 R835 S841 L842 F923 L944	L834-C838 PolarHBondContact O-N 3.17Å; L834-C838 PolarHBondContact O-SG 2.85Å; L834-C838 VanDerWaalsContact O-SG 3.32Å; R835-C838 PolarHBondContact O-N 3.21Å; C838-S841 WeakPolarHBondContact CA-OG 3.09Å; C838-S841 PolarHBondContact O-OG 3.24Å; C838-L842 WeakPolarHBondContact O-CG 3.49Å; C838-L842 PolarHBondContact O-N 2.84Å; C838-F923 HydrophobicContact CB-CD1 4.18Å; C838-F923 HydrophobicContact CB-CE1 3.65Å; C838-F923 HydrophobicContact CB-CE2 4.31Å; C838-F923 HydrophobicContact CB-CZ 3.72Å; C838-L944 HydrophobicContact CB-CD2 3.93Å
839	K	93	Very high	91.1	Very high	47 Å²	47	45.1 Å²	45.1	20%	0.204	23%	0.228	C	C	.	.	H	α-helix	trans	-71	-41	173.4	-74.8	179.6	176.4	-177.8	0	112.3	R835 E836 I837 K843 F923	R835-K839 HydrophobicContact CG-CD 4.49Å; R835-K839 WeakPolarHBondContact O-CG 3.32Å; R835-K839 PolarHBondContact O-N 3.26Å; R835-K839 VanDerWaalsContact O-N 3.08Å; E836-K839 PolarHBondContact O-N 2.63Å; I837-K839 VanDerWaalsContact C-N 3.28Å; I837-K839 PolarHBondContact O-N 3.46Å; K839-K843 VanDerWaalsContact O-CG 3.32Å; K839-K843 WeakPolarHBondContact O-CG 3.46Å; K839-K843 PolarHBondContact O-N 2.9Å; K839-K843 VanDerWaalsContact O-N 3.12Å; K839-F923 HydrophobicContact CG-CE1 4.42Å; K839-F923 HydrophobicContact CG-CZ 4.07Å
840	I	94.2	Very high	91.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-47.1	176.5	-69.2	164.3	0	0	0	109.8	L770 I803 V804 N807 A809 I821 E836 I837 L842 K843 L844	L770-I840 HydrophobicContact CD2-CG2 4Å; I803-I840 HydrophobicContact CG2-CG2 4.23Å; V804-I840 HydrophobicContact CG2-CG2 4.42Å; N807-I840 HydrophobicContact CB-CD1 3.66Å; N807-I840 HydrophobicContact CB-CG1 3.69Å; A809-I840 HydrophobicContact CB-CD1 3.33Å; I821-I840 HydrophobicContact CD1-CG2 4.13Å; E836-I840 WeakPolarHBondContact O-CG1 3.46Å; E836-I840 PolarHBondContact O-N 3.39Å; I837-I840 HydrophobicContact CD1-CD1 4.41Å; I837-I840 PolarHBondContact O-N 2.9Å; I840-L842 PolarHBondContact O-N 3.38Å; I840-K843 WeakPolarHBondContact O-CB 3.22Å; I840-K843 PolarHBondContact O-N 3.29Å; I840-K843 VanDerWaalsContact O-N 3.13Å; I840-L844 HydrophobicContact CG2-CD1 3.76Å; I840-L844 HydrophobicContact CG2-CG 4.11Å; I840-L844 WeakPolarHBondContact O-CG 3.47Å; I840-L844 PolarHBondContact O-N 3.48Å
841	S	94.6	Very high	91.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-42.5	-178.7	63	0	0	0	0	112.7	I837 C838 K843 L844 Q845	I837-S841 PolarHBondContact O-N 2.93Å; I837-S841 PolarHBondContact O-OG 3.26Å; C838-S841 WeakPolarHBondContact CA-OG 3.09Å; C838-S841 PolarHBondContact O-OG 3.24Å; S841-K843 PolarHBondContact O-N 3.42Å; S841-L844 PolarHBondContact O-N 3.17Å; S841-Q845 WeakPolarHBondContact O-CB 3.21Å; S841-Q845 PolarHBondContact O-N 2.71Å
842	L	93.6	Very high	91.7	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-39.1	174.5	-70.6	174.1	0	0	0	112.5	C838 I840 A846 I906 F923 L944 E947	C838-L842 WeakPolarHBondContact O-CG 3.49Å; C838-L842 PolarHBondContact O-N 2.84Å; I840-L842 PolarHBondContact O-N 3.38Å; L842-A846 WeakPolarHBondContact O-CB 3.39Å; L842-A846 PolarHBondContact O-N 3.03Å; L842-I906 HydrophobicContact CD2-CD1 3.99Å; L842-F923 HydrophobicContact CD1-CD1 4.16Å; L842-F923 HydrophobicContact CD1-CE1 4.03Å; L842-L944 HydrophobicContact CD2-CD2 4.36Å; L842-L944 HydrophobicContact CD2-CG 4.2Å; L842-L944 HydrophobicContact CG-CD2 4.15Å; L842-L944 HydrophobicContact CG-CG 4.46Å; L842-E947 HydrophobicContact CD1-CB 4.15Å
843	K	92.6	Very high	91.4	Very high	94 Å²	94	42.6 Å²	42.6	41%	0.409	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-42.6	175.6	-73	175.7	-177	-178.3	0	112.1	I803 N807 K839 I840 S841 A846 F847	I803-K843 HydrophobicContact CG2-CB 3.88Å; I803-K843 HydrophobicContact CG2-CD 3.98Å; N807-K843 PolarHBondContact OD1-NZ 3.24Å; K839-K843 VanDerWaalsContact O-CG 3.32Å; K839-K843 WeakPolarHBondContact O-CG 3.46Å; K839-K843 PolarHBondContact O-N 2.9Å; K839-K843 VanDerWaalsContact O-N 3.12Å; I840-K843 WeakPolarHBondContact O-CB 3.22Å; I840-K843 PolarHBondContact O-N 3.29Å; I840-K843 VanDerWaalsContact O-N 3.13Å; S841-K843 PolarHBondContact O-N 3.42Å; K843-A846 PolarHBondContact O-N 2.91Å; K843-F847 WeakPolarHBondContact O-CB 3.42Å; K843-F847 PolarHBondContact O-N 2.95Å
844	L	93.1	Very high	91	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-44	176.1	-68.6	174.4	0	0	0	111	L770 V772 F800 I803 I821 I840 S841 A846 F847 M848 I863 M865	L770-L844 HydrophobicContact CD2-CD1 4.09Å; V772-L844 HydrophobicContact CG2-CD1 4.03Å; F800-L844 HydrophobicContact CB-CD2 4.1Å; F800-L844 HydrophobicContact CD1-CD2 3.33Å; F800-L844 HydrophobicContact CD2-CD2 4.43Å; F800-L844 HydrophobicContact CE1-CD2 3.76Å; F800-L844 HydrophobicContact CG-CD2 3.71Å; F800-L844 HydrophobicContact CZ-CD2 4.47Å; I803-L844 HydrophobicContact CB-CD2 4.39Å; I803-L844 HydrophobicContact CD1-CD2 3.79Å; I803-L844 HydrophobicContact CG2-CD2 4.39Å; I821-L844 HydrophobicContact CD1-CD1 4.13Å; I840-L844 HydrophobicContact CG2-CD1 3.76Å; I840-L844 HydrophobicContact CG2-CG 4.11Å; I840-L844 WeakPolarHBondContact O-CG 3.47Å; I840-L844 PolarHBondContact O-N 3.48Å; S841-L844 PolarHBondContact O-N 3.17Å; L844-A846 VanDerWaalsContact C-N 3.33Å; L844-A846 PolarHBondContact O-N 3.14Å; L844-F847 PolarHBondContact O-N 2.82Å; L844-M848 WeakPolarHBondContact O-CG 3.23Å; L844-M848 PolarHBondContact O-N 3.44Å; L844-I863 HydrophobicContact CB-CD1 4.35Å; L844-M865 HydrophobicContact CB-SD 4.18Å
845	Q	92.1	Very high	90.3	Very high	37 Å²	37	54.4 Å²	54.4	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-44.4	174.9	-160.5	-172.4	42.3	0	0	111.9	S841 M865 G904 I906	S841-Q845 WeakPolarHBondContact O-CB 3.21Å; S841-Q845 PolarHBondContact O-N 2.71Å; Q845-M865 HydrophobicContact CB-CE 3.88Å; Q845-M865 HydrophobicContact CG-CE 4.18Å; Q845-G904 PolarHBondContact NE2-O 2.92Å; Q845-I906 HydrophobicContact CB-CD1 4.31Å
846	A	90.9	Very high	89.7	Confident	54 Å²	54	55.7 Å²	55.7	45%	0.446	26%	0.256	S	S	.	.	H	α-helix	trans	-65.5	-41.2	177.6	0	0	0	0	0	112.1	L842 K843 L844 K849	L842-A846 WeakPolarHBondContact O-CB 3.39Å; L842-A846 PolarHBondContact O-N 3.03Å; K843-A846 PolarHBondContact O-N 2.91Å; L844-A846 VanDerWaalsContact C-N 3.33Å; L844-A846 PolarHBondContact O-N 3.14Å; A846-K849 WeakPolarHBondContact O-CB 3.21Å; A846-K849 PolarHBondContact O-N 3.25Å
847	F	91.3	Very high	89.1	Confident	47 Å²	47	58.2 Å²	58.2	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-43.6	176.8	173.3	-101.2	0	0	0	112.2	L796 S799 F800 I803 K843 L844 K849 T850 F851	L796-F847 HydrophobicContact CD1-CE1 4.27Å; S799-F847 VanDerWaalsContact OG-CZ 3.24Å; S799-F847 WeakPolarHBondContact OG-CZ 3.09Å; F800-F847 HydrophobicContact CD1-CD1 4.33Å; F800-F847 HydrophobicContact CD1-CE1 4.4Å; F800-F847 AromaticContact CE1-CD1 3.93Å; F800-F847 HydrophobicContact CE1-CD1 3.93Å; F800-F847 HydrophobicContact CE1-CE1 4.11Å; I803-F847 HydrophobicContact CD1-CB 4.22Å; I803-F847 HydrophobicContact CD1-CG 4.47Å; K843-F847 WeakPolarHBondContact O-CB 3.42Å; K843-F847 PolarHBondContact O-N 2.95Å; L844-F847 PolarHBondContact O-N 2.82Å; F847-K849 PolarHBondContact O-N 3.48Å; F847-K849 VanDerWaalsContact O-N 3.16Å; F847-T850 WeakPolarHBondContact O-CA 3.18Å; F847-T850 PolarHBondContact O-N 2.82Å; F847-T850 PolarHBondContact O-OG1 3.35Å; F847-F851 HydrophobicContact CE1-CB 4.22Å; F847-F851 AromaticContact CE1-CD2 3.69Å; F847-F851 HydrophobicContact CE1-CD2 3.69Å; F847-F851 HydrophobicContact CE1-CE2 4.46Å; F847-F851 HydrophobicContact CE1-CG 4.24Å; F847-F851 HydrophobicContact CZ-CB 4.46Å; F847-F851 AromaticContact CZ-CD2 3.57Å; F847-F851 HydrophobicContact CZ-CD2 3.57Å; F847-F851 HydrophobicContact CZ-CE2 4.3Å; F847-F851 HydrophobicContact CZ-CG 4.43Å; F847-F851 PolarHBondContact O-N 2.96Å; F847-F851 VanDerWaalsContact O-N 3.09Å
848	M	91.1	Very high	88.4	Confident	21 Å²	21	63 Å²	63	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-23.6	179.4	-72.3	-53.6	-56.5	0	0	113.9	L796 F800 L844 T850 F851 L861 I863	L796-M848 HydrophobicContact CD1-CE 4.21Å; L796-M848 HydrophobicContact CD1-SD 3.5Å; L796-M848 VanDerWaalsContact CD1-SD 3.5Å; F800-M848 HydrophobicContact CE1-SD 4.01Å; F800-M848 HydrophobicContact CZ-SD 3.96Å; L844-M848 WeakPolarHBondContact O-CG 3.23Å; L844-M848 PolarHBondContact O-N 3.44Å; M848-T850 PolarHBondContact O-N 3.44Å; M848-F851 HydrophobicContact CE-CB 4.44Å; M848-F851 HydrophobicContact CE-CD1 4.33Å; M848-F851 HydrophobicContact SD-CB 4.39Å; M848-L861 HydrophobicContact CE-CB 3.95Å; M848-L861 VanDerWaalsContact CE-O 3.28Å; M848-L861 WeakPolarHBondContact CE-O 3.2Å; M848-I863 HydrophobicContact CB-CD1 4.48Å; M848-I863 HydrophobicContact CE-CG2 4.05Å; M848-I863 HydrophobicContact CG-CD1 3.44Å; M848-I863 VanDerWaalsContact CG-CD1 3.44Å; M848-I863 HydrophobicContact CG-CG1 3.76Å; M848-I863 HydrophobicContact CG-CG2 4.14Å; M848-I863 HydrophobicContact SD-CD1 4.5Å; M848-I863 HydrophobicContact SD-CG2 4.1Å
849	K	87.4	Confident	87.7	Confident	168 Å²	168	66 Å²	66	73%	0.73	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.6	172.4	-64.9	177.3	-178.2	-180	0	112.8	A846 F847	A846-K849 WeakPolarHBondContact O-CB 3.21Å; A846-K849 PolarHBondContact O-N 3.25Å; F847-K849 PolarHBondContact O-N 3.48Å; F847-K849 VanDerWaalsContact O-N 3.16Å
850	T	87.3	Confident	87	Confident	102 Å²	102	68.8 Å²	68.8	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-14.4	-177.7	59.6	0	0	0	0	113.8	F847 M848	F847-T850 WeakPolarHBondContact O-CA 3.18Å; F847-T850 PolarHBondContact O-N 2.82Å; F847-T850 PolarHBondContact O-OG1 3.35Å; M848-T850 PolarHBondContact O-N 3.44Å
851	F	88.3	Confident	86.6	Confident	22 Å²	22	69.5 Å²	69.5	10%	0.096	35%	0.348	C	S	.	.			trans	-71.8	130.5	-177	-173.1	-97.3	0	0	0	111.8	T792 E795 L796 F847 M848 V853 L861	T792-F851 HydrophobicContact CG2-CE1 4.17Å; T792-F851 HydrophobicContact CG2-CZ 4.18Å; E795-F851 HydrophobicContact CB-CE2 4.28Å; E795-F851 HydrophobicContact CG-CE2 3.97Å; L796-F851 HydrophobicContact CB-CE2 4.27Å; L796-F851 HydrophobicContact CB-CZ 3.99Å; L796-F851 HydrophobicContact CD1-CD1 4.45Å; L796-F851 HydrophobicContact CD1-CD2 4.44Å; L796-F851 HydrophobicContact CD1-CE1 4.35Å; L796-F851 HydrophobicContact CD1-CE2 4.3Å; L796-F851 HydrophobicContact CD1-CG 4.5Å; L796-F851 HydrophobicContact CD1-CZ 4.26Å; F847-F851 HydrophobicContact CE1-CB 4.22Å; F847-F851 AromaticContact CE1-CD2 3.69Å; F847-F851 HydrophobicContact CE1-CD2 3.69Å; F847-F851 HydrophobicContact CE1-CE2 4.46Å; F847-F851 HydrophobicContact CE1-CG 4.24Å; F847-F851 HydrophobicContact CZ-CB 4.46Å; F847-F851 AromaticContact CZ-CD2 3.57Å; F847-F851 HydrophobicContact CZ-CD2 3.57Å; F847-F851 HydrophobicContact CZ-CE2 4.3Å; F847-F851 HydrophobicContact CZ-CG 4.43Å; F847-F851 PolarHBondContact O-N 2.96Å; F847-F851 VanDerWaalsContact O-N 3.09Å; M848-F851 HydrophobicContact CE-CB 4.44Å; M848-F851 HydrophobicContact CE-CD1 4.33Å; M848-F851 HydrophobicContact SD-CB 4.39Å; F851-V853 HydrophobicContact CE1-CG2 4.33Å; F851-L861 HydrophobicContact CE1-CD1 3.97Å
852	K	85.3	Confident	86.3	Confident	151 Å²	151	74 Å²	74	66%	0.657	37%	0.369	S	S	*	.			trans	-126.8	134.8	176.4	-67.4	-174.9	179.1	-179	0	110	R854	K852-R854 PolarHBondContact O-N 3.43Å
853	V	84.2	Confident	86.2	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.365	C	S	.	.			trans	-73.1	117	176.6	-179.7	0	0	0	0	109.5	F780 F784 T792 F851 H855 R856 P857 L861	F780-V853 HydrophobicContact CE2-CG1 4.36Å; F780-V853 HydrophobicContact CE2-CG2 4.49Å; F784-V853 HydrophobicContact CE1-CG1 4.07Å; F784-V853 HydrophobicContact CZ-CG1 4.09Å; T792-V853 HydrophobicContact CG2-CG1 4.05Å; T792-V853 HydrophobicContact CG2-CG2 4.03Å; F851-V853 HydrophobicContact CE1-CG2 4.33Å; V853-H855 PolarHBondContact O-N 2.72Å; V853-R856 CarbonylContact O-C 3.59Å; V853-R856 PolarHBondContact O-N 2.86Å; V853-R856 VanDerWaalsContact O-N 3.1Å; V853-P857 WeakPolarHBondContact O-CA 3.23Å; V853-L861 HydrophobicContact CG2-CD1 3.89Å; V853-L861 HydrophobicContact CG2-CG 3.98Å
854	R	83.5	Confident	86.2	Confident	173 Å²	173	70.9 Å²	70.9	65%	0.653	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-48.5	-174.5	-69.6	-177.7	-175.3	-164	-2.8	113.8	E795 K852 R856	E795-R854 VanDerWaalsContact CD-NE 3.33Å; E795-R854 IonicContact OE1-CZ 3.38Å; E795-R854 IonicContact OE1-NE 3.08Å; E795-R854 PolarHBondContact OE1-NE 2.85Å; E795-R854 VanDerWaalsContact OE1-NE 3.08Å; E795-R854 IonicContact OE1-NH2 2.82Å; E795-R854 PolarHBondContact OE1-NH2 3.25Å; E795-R854 IonicContact OE2-CZ 3.82Å; E795-R854 IonicContact OE2-NE 3Å; E795-R854 PolarHBondContact OE2-NE 3.35Å; E795-R854 IonicContact OE2-NH2 3.93Å; K852-R854 PolarHBondContact O-N 3.43Å; R854-R856 VanDerWaalsContact C-N 3.26Å; R854-R856 PolarHBondContact O-N 3.36Å
855	H	80.6	Confident	86.3	Confident	79 Å²	79	70.9 Å²	70.9	37%	0.366	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.2	-175.6	-64.1	-63	0	0	0	114	F784 H788 E791 V853	F784-H855 HydrophobicContact CE1-CB 4.31Å; H788-H855 HydrophobicContact CB-CB 4.44Å; H788-H855 AromaticContact CD2-CD2 3.54Å; H788-H855 AromaticContact CD2-CE1 3.54Å; H788-H855 AromaticContact CD2-CG 3.82Å; H788-H855 AromaticContact CD2-ND1 3.87Å; H788-H855 AromaticContact CD2-NE2 3.34Å; H788-H855 PolarHBondContact CD2-NE2 2.75Å; H788-H855 VanDerWaalsContact CD2-NE2 3.34Å; H788-H855 AromaticContact CE1-CG 3.97Å; H788-H855 AromaticContact CE1-ND1 3.83Å; H788-H855 AromaticContact CG-CD2 3.46Å; H788-H855 VanDerWaalsContact CG-CD2 3.46Å; H788-H855 AromaticContact CG-CG 3.65Å; H788-H855 AromaticContact CG-NE2 3.79Å; H788-H855 AromaticContact ND1-CG 3.74Å; H788-H855 AromaticContact NE2-CE1 3.58Å; H788-H855 AromaticContact NE2-ND1 3.72Å; H788-H855 AromaticContact NE2-NE2 3.89Å; E791-H855 IonicContact OE2-CD2 2.65Å; E791-H855 IonicContact OE2-CE1 3.76Å; E791-H855 IonicContact OE2-NE2 2.96Å; E791-H855 PolarHBondContact OE2-NE2 2.79Å; V853-H855 PolarHBondContact O-N 2.72Å
856	R	80.2	Confident	86.4	Confident	121 Å²	121	69.1 Å²	69.1	46%	0.457	35%	0.347	S	S	.	.			trans	-155.7	79.2	175.6	-163.1	172.5	-174.7	155.2	2.5	110.2	F784 V853 R854 S858 H859	F784-R856 HydrophobicContact CE1-CB 3.66Å; F784-R856 HydrophobicContact CZ-CB 3.62Å; F784-R856 HydrophobicContact CZ-CG 4.36Å; V853-R856 CarbonylContact O-C 3.59Å; V853-R856 PolarHBondContact O-N 2.86Å; V853-R856 VanDerWaalsContact O-N 3.1Å; R854-R856 VanDerWaalsContact C-N 3.26Å; R854-R856 PolarHBondContact O-N 3.36Å; R856-S858 PolarHBondContact O-N 2.66Å; R856-H859 HydrophobicContact CB-CB 4.28Å; R856-H859 HydrophobicContact CG-CB 4.13Å; R856-H859 WeakPolarHBondContact O-CB 3.18Å; R856-H859 PolarHBondContact O-N 2.77Å
857	P	78.6	Confident	86.7	Confident	86 Å²	86	66.5 Å²	66.5	56%	0.558	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.8	-174.6	-25.7	35.2	0	0	0	114.7	V853 H859	V853-P857 WeakPolarHBondContact O-CA 3.23Å; P857-H859 VanDerWaalsContact C-N 3.33Å
858	S	80.1	Confident	86.9	Confident	101 Å²	101	64.6 Å²	64.6	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.4	174.2	55.4	0	0	0	0	114.1	R856	R856-S858 PolarHBondContact O-N 2.66Å
859	H	78.8	Confident	87	Confident	62 Å²	62	64.2 Å²	64.2	29%	0.287	32%	0.317	S	S	.	.			trans	-89.1	115.9	178.7	-162.9	78.1	0	0	0	110.1	F780 R856 P857	F780-H859 AromaticContact CD2-CD2 3.91Å; F780-H859 AromaticContact CD2-NE2 3.85Å; R856-H859 HydrophobicContact CB-CB 4.28Å; R856-H859 HydrophobicContact CG-CB 4.13Å; R856-H859 WeakPolarHBondContact O-CB 3.18Å; R856-H859 PolarHBondContact O-N 2.77Å; P857-H859 VanDerWaalsContact C-N 3.33Å
860	T	80.2	Confident	87.3	Confident	107 Å²	107	57 Å²	57	66%	0.656	29%	0.29	S	S	*	.			trans	-97.2	115.4	178.5	55.1	0	0	0	0	110.3
861	L	84.6	Confident	87.5	Confident	15 Å²	15	54.2 Å²	54.2	8%	0.079	28%	0.277	C	S	.	.			trans	-78.2	137.8	171.2	-70.8	174.8	0	0	0	110.1	V774 F780 T792 M848 F851 V853	V774-L861 HydrophobicContact CG1-CD2 4.22Å; F780-L861 HydrophobicContact CD2-CD2 3.89Å; F780-L861 HydrophobicContact CE2-CD1 4.5Å; F780-L861 HydrophobicContact CE2-CD2 4.3Å; F780-L861 HydrophobicContact CG-CD2 4.26Å; T792-L861 HydrophobicContact CG2-CD1 3.9Å; M848-L861 HydrophobicContact CE-CB 3.95Å; M848-L861 VanDerWaalsContact CE-O 3.28Å; M848-L861 WeakPolarHBondContact CE-O 3.2Å; F851-L861 HydrophobicContact CE1-CD1 3.97Å; V853-L861 HydrophobicContact CG2-CD1 3.89Å; V853-L861 HydrophobicContact CG2-CG 3.98Å
862	Q	88.9	Confident	87.7	Confident	94 Å²	94	53.1 Å²	53.1	44%	0.439	27%	0.273	S	S	.	.			trans	-118.3	147.8	173.7	-66.4	-178.3	-35.8	0	0	109.2	C775 P903	C775-Q862 HydrophobicContact CB-CB 4.13Å; C775-Q862 VanDerWaalsContact CB-O 3.29Å; C775-Q862 WeakPolarHBondContact CB-O 3.46Å; C775-Q862 PolarHBondContact N-O 3.48Å; C775-Q862 PolarHBondContact SG-O 3.29Å; Q862-P903 HydrophobicContact CB-CB 4.05Å
863	I	91.7	Very high	88	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.1	174.8	63.1	176.5	0	0	0	110.3	V772 D773 F800 L844 M848 M865 G904	V772-I863 HydrophobicContact CG1-CB 3.92Å; V772-I863 HydrophobicContact CG1-CD1 3.88Å; V772-I863 HydrophobicContact CG1-CG1 4.41Å; V772-I863 HydrophobicContact CG1-CG2 4.08Å; D773-I863 CarbonylContact O-C 3.44Å; D773-I863 VanDerWaalsContact O-CA 3.25Å; D773-I863 WeakPolarHBondContact O-CA 3.45Å; F800-I863 HydrophobicContact CZ-CD1 4.39Å; F800-I863 HydrophobicContact CZ-CG2 4.35Å; L844-I863 HydrophobicContact CB-CD1 4.35Å; M848-I863 HydrophobicContact CB-CD1 4.48Å; M848-I863 HydrophobicContact CE-CG2 4.05Å; M848-I863 HydrophobicContact CG-CD1 3.44Å; M848-I863 VanDerWaalsContact CG-CD1 3.44Å; M848-I863 HydrophobicContact CG-CG1 3.76Å; M848-I863 HydrophobicContact CG-CG2 4.14Å; M848-I863 HydrophobicContact SD-CD1 4.5Å; M848-I863 HydrophobicContact SD-CG2 4.1Å; I863-M865 HydrophobicContact CD1-CE 3.77Å; I863-M865 HydrophobicContact CD1-CG 4.19Å; I863-M865 HydrophobicContact CD1-SD 3.89Å; I863-M865 HydrophobicContact CG1-CE 4.07Å; I863-M865 HydrophobicContact CG1-CG 4.49Å; I863-G904 WeakPolarHBondContact O-CA 3.14Å; I863-G904 PolarHBondContact O-N 2.71Å
864	K	93.1	Very high	88.2	Confident	45 Å²	45	47.8 Å²	47.8	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.9	165.7	-75.6	161.8	-175.8	-146.1	0	108.4	D773 C775 A898 G901 N902	D773-K864 PolarHBondContact N-O 3.45Å; D773-K864 PolarHBondContact O-N 3.49Å; C775-K864 VanDerWaalsContact SG-CE 3.52Å; C775-K864 WeakPolarHBondContact SG-CG 3.13Å; K864-A898 WeakPolarHBondContact CB-O 3.45Å; K864-G901 WeakPolarHBondContact CD-O 3.18Å; K864-G901 WeakPolarHBondContact CE-O 3.09Å; K864-G901 PolarHBondContact NZ-O 2.78Å; K864-N902 WeakPolarHBondContact CG-O 3.16Å
865	M	95	Very high	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.4	-178.9	-71.1	176.9	-81.8	0	0	110.8	L770 V771 V772 L844 Q845 I863 S905 I906 Q907	L770-M865 HydrophobicContact CD1-CB 3.89Å; L770-M865 HydrophobicContact CD1-CG 4.13Å; L770-M865 HydrophobicContact CD1-SD 4.48Å; V771-M865 VanDerWaalsContact O-CA 3.32Å; V771-M865 WeakPolarHBondContact O-CA 3.12Å; V772-M865 HydrophobicContact CG1-CG 4.22Å; V772-M865 HydrophobicContact CG2-CG 4.15Å; L844-M865 HydrophobicContact CB-SD 4.18Å; Q845-M865 HydrophobicContact CB-CE 3.88Å; Q845-M865 HydrophobicContact CG-CE 4.18Å; I863-M865 HydrophobicContact CD1-CE 3.77Å; I863-M865 HydrophobicContact CD1-CG 4.19Å; I863-M865 HydrophobicContact CD1-SD 3.89Å; I863-M865 HydrophobicContact CG1-CE 4.07Å; I863-M865 HydrophobicContact CG1-CG 4.49Å; M865-S905 PolarHBondContact N-O 2.71Å; M865-I906 HydrophobicContact CB-CB 4.46Å; M865-I906 HydrophobicContact CB-CG1 4.19Å; M865-I906 HydrophobicContact CB-CG2 4.34Å; M865-I906 HydrophobicContact CE-CD1 4.06Å; M865-I906 HydrophobicContact CE-CG1 3.39Å; M865-I906 HydrophobicContact SD-CG1 4.1Å; M865-Q907 PolarHBondContact O-N 3.46Å
866	G	94.5	Very high	88.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.6	174.2	0	0	0	0	0	110.9	L770 V771	L770-G866 WeakPolarHBondContact CA-O 3.41Å; V771-G866 PolarHBondContact N-O 3.29Å; V771-G866 PolarHBondContact O-N 3.33Å
867	I	96.5	Very high	88.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.4	177.3	-56.3	172.7	0	0	0	109.4	T768 L769 L770 L834 I837 I906 Q907 L908 S909 T912	T768-I867 HydrophobicContact CG2-CG2 3.65Å; L769-I867 WeakPolarHBondContact O-CA 3.47Å; L770-I867 HydrophobicContact CD1-CD1 4.47Å; L770-I867 HydrophobicContact CD1-CG1 3.79Å; L834-I867 HydrophobicContact CD1-CG2 4.45Å; I837-I867 HydrophobicContact CG2-CD1 4.05Å; I837-I867 HydrophobicContact CG2-CG1 4.07Å; I837-I867 HydrophobicContact CG2-CG2 3.85Å; I867-I906 HydrophobicContact CD1-CG2 3.45Å; I867-I906 VanDerWaalsContact CD1-CG2 3.45Å; I867-I906 HydrophobicContact CG1-CG2 4.08Å; I867-Q907 PolarHBondContact N-O 3.05Å; I867-L908 HydrophobicContact CB-CD2 4.44Å; I867-L908 HydrophobicContact CB-CG 4.19Å; I867-L908 HydrophobicContact CG2-CD2 4.46Å; I867-L908 WeakPolarHBondContact O-CA 3.07Å; I867-S909 PolarHBondContact O-N 3.03Å; I867-T912 HydrophobicContact CG2-CG2 4.16Å
868	T	95.1	Very high	88.6	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150	169.9	-161.9	0	0	0	0	110.6	L769 T890 M893 A894 S909 T912	L769-T868 PolarHBondContact N-O 2.8Å; L769-T868 PolarHBondContact O-N 3Å; L769-T868 VanDerWaalsContact O-N 3.13Å; T868-T890 HydrophobicContact CG2-CG2 3.76Å; T868-T890 WeakPolarHBondContact CG2-O 2.98Å; T868-M893 HydrophobicContact CG2-CB 4.24Å; T868-M893 HydrophobicContact CG2-CG 4.33Å; T868-A894 HydrophobicContact CG2-CB 3.56Å; T868-S909 PolarHBondContact OG1-OG 3.32Å; T868-T912 WeakPolarHBondContact CA-OG1 3.47Å
869	S	94.2	Very high	88.3	Confident	13 Å²	13	36 Å²	36	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.6	172.8	-53.1	0	0	0	0	110.8	V767 T768 T912	V767-S869 VanDerWaalsContact O-CA 3.26Å; V767-S869 WeakPolarHBondContact O-CA 3.37Å; T768-S869 PolarHBondContact OG1-OG 2.78Å; S869-T912 PolarHBondContact N-OG1 3.27Å
870	G	92.3	Very high	88.1	Confident	16 Å²	16	39.8 Å²	39.8	17%	0.165	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-176.4	179	0	0	0	0	0	112.3	V767 T890	V767-G870 PolarHBondContact N-O 3.2Å; V767-G870 PolarHBondContact O-N 2.86Å; G870-T890 WeakPolarHBondContact CA-OG1 3.47Å
871	A	92.3	Very high	88	Confident	44 Å²	44	37.6 Å²	37.6	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	144.9	178.2	0	0	0	0	0	111.6	H764 T890	H764-A871 VanDerWaalsContact O-CA 3.26Å; H764-A871 WeakPolarHBondContact O-CA 3.31Å; H764-A871 WeakPolarHBondContact O-CB 3.27Å; A871-T890 PolarHBondContact N-OG1 3.35Å; A871-T890 WeakPolarHBondContact O-CB 3.37Å; A871-T890 PolarHBondContact O-OG1 3.49Å
872	V	92.3	Very high	87.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.9	177.3	-64.4	0	0	0	0	110.8	Q763 H764 V767 L769 I825 F887 T890 V891	Q763-V872 PolarHBondContact NE2-O 3.12Å; H764-V872 HydrophobicContact CB-CG2 4.29Å; H764-V872 PolarHBondContact N-O 3.29Å; H764-V872 PolarHBondContact O-N 3.42Å; H764-V872 VanDerWaalsContact O-N 3.08Å; V767-V872 HydrophobicContact CB-CG2 3.77Å; V767-V872 HydrophobicContact CG1-CG2 4.18Å; V767-V872 HydrophobicContact CG2-CG2 3.54Å; L769-V872 HydrophobicContact CD1-CG1 4.19Å; I825-V872 HydrophobicContact CD1-CG2 4.35Å; V872-F887 CarbonylContact C-O 3.42Å; V872-F887 WeakPolarHBondContact CA-O 2.87Å; V872-T890 HydrophobicContact CG1-CG2 4.23Å; V872-V891 HydrophobicContact CG1-CG2 4.34Å
873	A	90.8	Very high	87.5	Confident	32 Å²	32	41.9 Å²	41.9	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.3	165.7	0	0	0	0	0	109.2	E762 I886 F887	E762-A873 CarbonylContact O-C 3.57Å; E762-A873 WeakPolarHBondContact O-CA 3.33Å; A873-I886 CarbonylContact O-C 3.28Å; A873-I886 VanDerWaalsContact O-CA 3.29Å; A873-I886 WeakPolarHBondContact O-CA 3.14Å; A873-F887 PolarHBondContact N-O 2.65Å; A873-F887 PolarHBondContact O-N 3.23Å
874	A	90	Very high	87.3	Confident	6 Å²	6	42.1 Å²	42.1	5%	0.05	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.2	-178.8	0	0	0	0	0	111.4	P761 E762 I825 F884 C885 I886	P761-A874 CarbonylContact C-O 3.59Å; P761-A874 VanDerWaalsContact CA-O 3.28Å; P761-A874 WeakPolarHBondContact CA-O 3.35Å; E762-A874 PolarHBondContact N-O 3.03Å; E762-A874 PolarHBondContact O-N 3.26Å; I825-A874 HydrophobicContact CD1-CB 3.77Å; A874-F884 HydrophobicContact CB-CE2 4.03Å; A874-F884 HydrophobicContact CB-CZ 3.81Å; A874-C885 WeakPolarHBondContact CA-O 3.48Å; A874-I886 HydrophobicContact CB-CG2 3.94Å
875	G	87.5	Confident	87.1	Confident	10 Å²	10	40.8 Å²	40.8	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	175.2	179	0	0	0	0	0	113.7	C885	G875-C885 PolarHBondContact N-O 3.36Å; G875-C885 PolarHBondContact O-N 3.26Å
876	I	86.9	Confident	86.8	Confident	39 Å²	39	41 Å²	41	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.8	174.8	-66.9	169.4	0	0	0	110.3	V749 I753 V759 P882 R883	V749-I876 HydrophobicContact CG1-CD1 3.19Å; V749-I876 HydrophobicContact CG1-CG1 3.87Å; I753-I876 HydrophobicContact CD1-CD1 3.64Å; I753-I876 HydrophobicContact CG1-CD1 4.48Å; V759-I876 HydrophobicContact CB-CD1 3.92Å; V759-I876 HydrophobicContact CG1-CD1 4.04Å; V759-I876 HydrophobicContact CG1-CG1 4.42Å; V759-I876 HydrophobicContact CG2-CD1 4Å; I876-P882 HydrophobicContact CG2-CB 3.39Å; I876-R883 VanDerWaalsContact CA-O 3.31Å; I876-R883 WeakPolarHBondContact CA-O 3.12Å
877	L	81.7	Confident	86.6	Confident	91 Å²	91	46.1 Å²	46.1	48%	0.476	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	171.7	-69.5	171	0	0	0	110.9	P882 R883 C885 F887	L877-P882 WeakPolarHBondContact O-CA 3.34Å; L877-R883 PolarHBondContact N-O 2.94Å; L877-R883 PolarHBondContact O-N 2.95Å; L877-C885 HydrophobicContact CD1-CB 3.96Å; L877-F887 HydrophobicContact CD1-CE2 3.94Å; L877-F887 HydrophobicContact CD1-CZ 3.71Å
878	G	75.1	Confident	86.2	Confident	57 Å²	57	47.8 Å²	47.8	59%	0.588	31%	0.307	S	S	*	.			trans	88.3	145.3	177.8	0	0	0	0	0	114.3
879	S	74	Confident	85.9	Confident	116 Å²	116	51.8 Å²	51.8	81%	0.811	33%	0.328	S	S	*	.	S	Bend	trans	-97.2	-43.1	178.3	51.8	0	0	0	0	112.7
880	T	74.3	Confident	85.8	Confident	142 Å²	142	52 Å²	52	87%	0.871	33%	0.329	S	S	*	.	S	Bend	trans	-76.8	-31	-179	-7	0	0	0	0	112.7
881	A	77	Confident	85.7	Confident	60 Å²	60	51.6 Å²	51.6	50%	0.496	32%	0.323	S	S	.	.	S	Bend	trans	-141.5	81.2	179.3	0	0	0	0	0	108.6	R883	A881-R883 PolarHBondContact O-N 3.33Å
882	P	79.1	Confident	85.6	Confident	62 Å²	62	54.4 Å²	54.4	40%	0.403	33%	0.332	S	S	.	.			trans	-67.2	125.1	-175.6	25.8	-33	0	0	0	111.3	I876 L877	I876-P882 HydrophobicContact CG2-CB 3.39Å; L877-P882 WeakPolarHBondContact O-CA 3.34Å
883	R	83.9	Confident	85.5	Confident	138 Å²	138	56 Å²	56	52%	0.521	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.3	-179.5	-63.1	172.8	176.8	-159.5	1.5	110.7	E813 I876 L877 A881 C885	E813-R883 WeakPolarHBondContact OE2-CD 3.15Å; E813-R883 WeakPolarHBondContact OE2-CG 3.38Å; E813-R883 IonicContact OE2-CZ 2.69Å; E813-R883 IonicContact OE2-NE 2.7Å; E813-R883 PolarHBondContact OE2-NE 3.12Å; E813-R883 IonicContact OE2-NH1 3.39Å; I876-R883 VanDerWaalsContact CA-O 3.31Å; I876-R883 WeakPolarHBondContact CA-O 3.12Å; L877-R883 PolarHBondContact N-O 2.94Å; L877-R883 PolarHBondContact O-N 2.95Å; A881-R883 PolarHBondContact O-N 3.33Å; R883-C885 PolarHBondContact O-N 3.08Å
884	F	87.5	Confident	85.6	Confident	7 Å²	7	54.4 Å²	54.4	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116	173.7	-179.3	-97.8	0	0	0	110.4	L745 P746 V749 F810 V812 I825 A874 I886	L745-F884 HydrophobicContact CD2-CB 3.94Å; P746-F884 HydrophobicContact CG-CD1 3.86Å; P746-F884 HydrophobicContact CG-CD2 3.79Å; P746-F884 HydrophobicContact CG-CE1 3.85Å; P746-F884 HydrophobicContact CG-CE2 3.8Å; P746-F884 HydrophobicContact CG-CG 3.82Å; P746-F884 HydrophobicContact CG-CZ 3.82Å; V749-F884 HydrophobicContact CG2-CD2 4.32Å; V749-F884 HydrophobicContact CG2-CE2 4.27Å; F810-F884 AromaticContact CD1-CD1 3.87Å; F810-F884 HydrophobicContact CD1-CD1 3.87Å; F810-F884 HydrophobicContact CD1-CE1 4.09Å; F810-F884 HydrophobicContact CE1-CB 4.27Å; F810-F884 AromaticContact CE1-CD1 3.54Å; F810-F884 HydrophobicContact CE1-CD1 3.54Å; F810-F884 HydrophobicContact CE1-CE1 4.22Å; F810-F884 HydrophobicContact CE1-CG 4.15Å; V812-F884 HydrophobicContact CG1-CD1 4.41Å; V812-F884 WeakPolarHBondContact CG1-O 3.14Å; V812-F884 HydrophobicContact CG2-CE1 4.37Å; I825-F884 HydrophobicContact CD1-CZ 4.05Å; I825-F884 HydrophobicContact CG2-CE2 4.48Å; I825-F884 HydrophobicContact CG2-CZ 3.93Å; A874-F884 HydrophobicContact CB-CE2 4.03Å; A874-F884 HydrophobicContact CB-CZ 3.81Å; F884-I886 HydrophobicContact CE1-CG2 3.89Å; F884-I886 HydrophobicContact CZ-CG2 4.13Å
885	C	88.3	Confident	85.6	Confident	18 Å²	18	56.4 Å²	56.4	12%	0.122	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.8	-176.2	-67.3	0	0	0	0	111.2	A874 G875 L877 R883 F887	A874-C885 WeakPolarHBondContact CA-O 3.48Å; G875-C885 PolarHBondContact N-O 3.36Å; G875-C885 PolarHBondContact O-N 3.26Å; L877-C885 HydrophobicContact CD1-CB 3.96Å; R883-C885 PolarHBondContact O-N 3.08Å; C885-F887 HydrophobicContact CB-CE2 3.74Å; C885-F887 HydrophobicContact CB-CZ 4.04Å
886	I	90.3	Very high	85.8	Confident	4 Å²	4	60 Å²	60	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.9	172.3	66.4	174.1	0	0	0	111.3	L769 V812 L820 C822 I825 A873 A874 F884 V891	L769-I886 HydrophobicContact CD1-CD1 3.93Å; L769-I886 HydrophobicContact CD2-CD1 3.35Å; L769-I886 HydrophobicContact CG-CD1 4.29Å; V812-I886 HydrophobicContact CG1-CG1 4.05Å; V812-I886 HydrophobicContact CG1-CG2 4.4Å; V812-I886 HydrophobicContact CG2-CD1 4.1Å; V812-I886 HydrophobicContact CG2-CG1 4.39Å; V812-I886 HydrophobicContact CG2-CG2 4.42Å; L820-I886 HydrophobicContact CD2-CD1 4.1Å; L820-I886 HydrophobicContact CD2-CG1 4.2Å; C822-I886 HydrophobicContact CB-CD1 4.3Å; I825-I886 HydrophobicContact CD1-CG2 4.09Å; A873-I886 CarbonylContact O-C 3.28Å; A873-I886 VanDerWaalsContact O-CA 3.29Å; A873-I886 WeakPolarHBondContact O-CA 3.14Å; A874-I886 HydrophobicContact CB-CG2 3.94Å; F884-I886 HydrophobicContact CE1-CG2 3.89Å; F884-I886 HydrophobicContact CZ-CG2 4.13Å; I886-V891 HydrophobicContact CD1-CG2 4.07Å; I886-V891 HydrophobicContact CG1-CG2 3.95Å
887	F	88.8	Confident	86.1	Confident	108 Å²	108	58.2 Å²	58.2	47%	0.474	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.9	-177	-61.6	-82.9	0	0	0	111.3	V872 A873 L877 C885	V872-F887 CarbonylContact C-O 3.42Å; V872-F887 WeakPolarHBondContact CA-O 2.87Å; A873-F887 PolarHBondContact N-O 2.65Å; A873-F887 PolarHBondContact O-N 3.23Å; L877-F887 HydrophobicContact CD1-CE2 3.94Å; L877-F887 HydrophobicContact CD1-CZ 3.71Å; C885-F887 HydrophobicContact CB-CE2 3.74Å; C885-F887 HydrophobicContact CB-CZ 4.04Å
888	G	88.6	Confident	86.5	Confident	35 Å²	35	53.9 Å²	53.9	36%	0.361	32%	0.319	S	S	.	.	S	Bend	trans	144.3	166.4	173	0	0	0	0	0	113.4	T890 V891	G888-T890 PolarHBondContact O-N 3.47Å; G888-V891 WeakPolarHBondContact O-CB 3.49Å; G888-V891 PolarHBondContact O-N 3.15Å
889	D	89.6	Confident	87.2	Confident	89 Å²	89	54 Å²	54	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-30.4	177.5	-171.2	47	0	0	0	112.2	V891 N892 M893 K936	D889-V891 VanDerWaalsContact C-N 3.29Å; D889-V891 PolarHBondContact O-N 3.39Å; D889-N892 WeakPolarHBondContact O-CB 3.36Å; D889-N892 PolarHBondContact O-N 2.82Å; D889-M893 PolarHBondContact O-N 3.04Å; D889-K936 IonicContact OD1-NZ 2.86Å; D889-K936 WeakPolarHBondContact OD2-CE 3.29Å; D889-K936 IonicContact OD2-NZ 3.77Å; D889-K936 PolarHBondContact OD2-NZ 2.94Å
890	T	92.2	Very high	88	Confident	17 Å²	17	50.1 Å²	50.1	10%	0.104	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-39.2	172.2	-49.6	0	0	0	0	112.2	L769 T868 G870 A871 V872 G888 M893 A894	L769-T890 HydrophobicContact CD1-CG2 3.99Å; L769-T890 HydrophobicContact CG-CG2 4.34Å; T868-T890 HydrophobicContact CG2-CG2 3.76Å; T868-T890 WeakPolarHBondContact CG2-O 2.98Å; G870-T890 WeakPolarHBondContact CA-OG1 3.47Å; A871-T890 PolarHBondContact N-OG1 3.35Å; A871-T890 WeakPolarHBondContact O-CB 3.37Å; A871-T890 PolarHBondContact O-OG1 3.49Å; V872-T890 HydrophobicContact CG1-CG2 4.23Å; G888-T890 PolarHBondContact O-N 3.47Å; T890-M893 PolarHBondContact O-N 3.02Å; T890-A894 WeakPolarHBondContact O-CB 3.5Å; T890-A894 PolarHBondContact O-N 3.28Å
891	V	90.4	Very high	88.6	Confident	9 Å²	9	43.4 Å²	43.4	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-45.9	177.6	-176.7	0	0	0	0	110.2	L769 V872 I886 G888 D889 M893 A894 C895	L769-V891 HydrophobicContact CD1-CB 4.23Å; L769-V891 HydrophobicContact CD1-CG2 3.72Å; V872-V891 HydrophobicContact CG1-CG2 4.34Å; I886-V891 HydrophobicContact CD1-CG2 4.07Å; I886-V891 HydrophobicContact CG1-CG2 3.95Å; G888-V891 WeakPolarHBondContact O-CB 3.49Å; G888-V891 PolarHBondContact O-N 3.15Å; D889-V891 VanDerWaalsContact C-N 3.29Å; D889-V891 PolarHBondContact O-N 3.39Å; V891-M893 VanDerWaalsContact C-N 3.33Å; V891-M893 PolarHBondContact O-N 3.22Å; V891-A894 WeakPolarHBondContact O-CB 3.4Å; V891-A894 PolarHBondContact O-N 3.39Å; V891-A894 VanDerWaalsContact O-N 3.16Å; V891-C895 PolarHBondContact O-N 3.41Å; V891-C895 PolarHBondContact O-SG 3.49Å; V891-C895 VanDerWaalsContact O-SG 3.41Å
892	N	89.4	Confident	89.2	Confident	103 Å²	103	44.5 Å²	44.5	55%	0.551	24%	0.239	S	C	*	.	H	α-helix	trans	-60.6	-43.5	177.1	-69.8	-31.1	0	0	0	111.6	D889 A894 C895 R896	D889-N892 WeakPolarHBondContact O-CB 3.36Å; D889-N892 PolarHBondContact O-N 2.82Å; N892-A894 VanDerWaalsContact C-N 3.35Å; N892-C895 PolarHBondContact O-N 3.25Å; N892-R896 WeakPolarHBondContact O-CG 3.5Å; N892-R896 PolarHBondContact O-N 3.41Å
893	M	91.3	Very high	89.8	Confident	32 Å²	32	44.5 Å²	44.5	16%	0.158	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-41.8	175.4	-174.9	64.9	80.8	0	0	111.6	T868 D889 T890 V891 C895 R896 M897 V933 K936	T868-M893 HydrophobicContact CG2-CB 4.24Å; T868-M893 HydrophobicContact CG2-CG 4.33Å; D889-M893 PolarHBondContact O-N 3.04Å; T890-M893 PolarHBondContact O-N 3.02Å; V891-M893 VanDerWaalsContact C-N 3.33Å; V891-M893 PolarHBondContact O-N 3.22Å; M893-C895 PolarHBondContact O-N 3.19Å; M893-R896 WeakPolarHBondContact O-CB 3.4Å; M893-R896 PolarHBondContact O-N 3Å; M893-M897 WeakPolarHBondContact O-CG 3.34Å; M893-M897 PolarHBondContact O-N 2.9Å; M893-M897 HydrophobicContact SD-CE 3.95Å; M893-V933 HydrophobicContact SD-CG1 4.38Å; M893-K936 HydrophobicContact CE-CB 4.45Å; M893-K936 HydrophobicContact CE-CD 4.03Å; M893-K936 HydrophobicContact CE-CG 3.73Å
894	A	92	Very high	90	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-47.4	178.5	0	0	0	0	0	111.3	L769 V771 T868 T890 V891 N892 R896 M897 A898	L769-A894 HydrophobicContact CB-CB 3.96Å; L769-A894 HydrophobicContact CD1-CB 4.33Å; V771-A894 HydrophobicContact CG2-CB 3.6Å; T868-A894 HydrophobicContact CG2-CB 3.56Å; T890-A894 WeakPolarHBondContact O-CB 3.5Å; T890-A894 PolarHBondContact O-N 3.28Å; V891-A894 WeakPolarHBondContact O-CB 3.4Å; V891-A894 PolarHBondContact O-N 3.39Å; V891-A894 VanDerWaalsContact O-N 3.16Å; N892-A894 VanDerWaalsContact C-N 3.35Å; A894-R896 VanDerWaalsContact C-N 3.3Å; A894-R896 PolarHBondContact O-N 3.04Å; A894-M897 PolarHBondContact O-N 3.19Å; A894-A898 PolarHBondContact O-N 3.18Å; A894-A898 VanDerWaalsContact O-N 3.08Å
895	C	90.3	Very high	90.2	Very high	48 Å²	48	40.1 Å²	40.1	32%	0.324	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-38.2	176.5	-65.8	0	0	0	0	111.8	V891 N892 M893 A898 S899	V891-C895 PolarHBondContact O-N 3.41Å; V891-C895 PolarHBondContact O-SG 3.49Å; V891-C895 VanDerWaalsContact O-SG 3.41Å; N892-C895 PolarHBondContact O-N 3.25Å; M893-C895 PolarHBondContact O-N 3.19Å; C895-A898 PolarHBondContact O-N 2.81Å; C895-S899 WeakPolarHBondContact O-CB 3.38Å; C895-S899 PolarHBondContact O-N 3.03Å; C895-S899 PolarHBondContact O-OG 3.24Å
896	R	91	Very high	90.6	Very high	85 Å²	85	39.3 Å²	39.3	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-44.9	175.3	-69.3	-79.1	-172.4	-133.5	-15.8	112.1	N892 M893 A894 A898 S899 T900 V933 K934	N892-R896 WeakPolarHBondContact O-CG 3.5Å; N892-R896 PolarHBondContact O-N 3.41Å; M893-R896 WeakPolarHBondContact O-CB 3.4Å; M893-R896 PolarHBondContact O-N 3Å; A894-R896 VanDerWaalsContact C-N 3.3Å; A894-R896 PolarHBondContact O-N 3.04Å; R896-A898 VanDerWaalsContact C-N 3.26Å; R896-A898 PolarHBondContact O-N 3.21Å; R896-S899 WeakPolarHBondContact CA-OG 3.03Å; R896-S899 PolarHBondContact O-N 3.32Å; R896-S899 PolarHBondContact O-OG 2.88Å; R896-T900 WeakPolarHBondContact O-CB 3.49Å; R896-T900 WeakPolarHBondContact O-CG2 3.17Å; R896-T900 PolarHBondContact O-N 2.81Å; R896-T900 PolarHBondContact O-OG1 2.94Å; R896-V933 HydrophobicContact CB-CG1 3.75Å; R896-V933 HydrophobicContact CG-CG1 3.74Å; R896-K934 VanDerWaalsContact CZ-CB 3.44Å; R896-K934 PolarHBondContact NE-O 3.38Å; R896-K934 PolarHBondContact NH2-O 3.24Å
897	M	93	Very high	90.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-36.8	176.9	-66.7	-59.4	95.2	0	0	111.4	M893 A894 G901 Q907 V933 T941	M893-M897 WeakPolarHBondContact O-CG 3.34Å; M893-M897 PolarHBondContact O-N 2.9Å; M893-M897 HydrophobicContact SD-CE 3.95Å; A894-M897 PolarHBondContact O-N 3.19Å; M897-G901 PolarHBondContact O-N 3.43Å; M897-Q907 HydrophobicContact CB-CG 4.43Å; M897-Q907 VanDerWaalsContact O-CD 3.28Å; M897-Q907 PolarHBondContact O-OE1 3.22Å; M897-Q907 HydrophobicContact SD-CG 4.08Å; M897-Q907 PolarHBondContact SD-NE2 3.36Å; M897-Q907 VanDerWaalsContact SD-NE2 3.39Å; M897-V933 HydrophobicContact CE-CG2 3.71Å; M897-T941 HydrophobicContact CE-CG2 4.2Å; M897-T941 HydrophobicContact SD-CG2 3.89Å
898	A	91.3	Very high	91.2	Very high	1 Å²	1	34 Å²	34	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-70.3	-47.9	173.8	0	0	0	0	0	111.9	V771 K864 A894 C895 R896 T900 G901	V771-A898 HydrophobicContact CB-CB 3.88Å; V771-A898 HydrophobicContact CG1-CB 3.65Å; K864-A898 WeakPolarHBondContact CB-O 3.45Å; A894-A898 PolarHBondContact O-N 3.18Å; A894-A898 VanDerWaalsContact O-N 3.08Å; C895-A898 PolarHBondContact O-N 2.81Å; R896-A898 VanDerWaalsContact C-N 3.26Å; R896-A898 PolarHBondContact O-N 3.21Å; A898-T900 VanDerWaalsContact C-N 3.33Å; A898-T900 PolarHBondContact O-N 3.42Å; A898-G901 PolarHBondContact O-N 3.18Å; A898-G901 VanDerWaalsContact O-N 3.14Å
899	S	88.7	Confident	91.4	Very high	60 Å²	60	32.9 Å²	32.9	42%	0.42	19%	0.193	S	C	.	.	H	α-helix	trans	-64	-34.7	-176.4	69.9	0	0	0	0	113.9	C895 R896 G901	C895-S899 WeakPolarHBondContact O-CB 3.38Å; C895-S899 PolarHBondContact O-N 3.03Å; C895-S899 PolarHBondContact O-OG 3.24Å; R896-S899 WeakPolarHBondContact CA-OG 3.03Å; R896-S899 PolarHBondContact O-N 3.32Å; R896-S899 PolarHBondContact O-OG 2.88Å; S899-G901 VanDerWaalsContact C-N 3.31Å
900	T	90.3	Very high	91.6	Very high	33 Å²	33	33.1 Å²	33.1	20%	0.202	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.5	-179.9	57.3	0	0	0	0	112.6	R896 A898 Q907 R928 I931	R896-T900 WeakPolarHBondContact O-CB 3.49Å; R896-T900 WeakPolarHBondContact O-CG2 3.17Å; R896-T900 PolarHBondContact O-N 2.81Å; R896-T900 PolarHBondContact O-OG1 2.94Å; A898-T900 VanDerWaalsContact C-N 3.33Å; A898-T900 PolarHBondContact O-N 3.42Å; T900-Q907 VanDerWaalsContact C-OE1 3.28Å; T900-Q907 PolarHBondContact O-OE1 2.92Å; T900-Q907 PolarHBondContact OG1-NE2 2.97Å; T900-Q907 PolarHBondContact OG1-OE1 3.42Å; T900-R928 VanDerWaalsContact O-CZ 3.32Å; T900-R928 PolarHBondContact O-NH1 3.05Å; T900-R928 PolarHBondContact O-NH2 3.35Å; T900-I931 HydrophobicContact CG2-CG2 4.22Å
901	G	87.8	Confident	91.6	Very high	2 Å²	2	38 Å²	38	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-71.8	158.8	178.6	0	0	0	0	0	113.6	K864 M897 A898 S899 Q907	K864-G901 WeakPolarHBondContact CD-O 3.18Å; K864-G901 WeakPolarHBondContact CE-O 3.09Å; K864-G901 PolarHBondContact NZ-O 2.78Å; M897-G901 PolarHBondContact O-N 3.43Å; A898-G901 PolarHBondContact O-N 3.18Å; A898-G901 VanDerWaalsContact O-N 3.14Å; S899-G901 VanDerWaalsContact C-N 3.31Å; G901-Q907 VanDerWaalsContact N-OE1 3.1Å
902	N	90.3	Very high	91.8	Very high	82 Å²	82	37.6 Å²	37.6	44%	0.439	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-85.9	146.8	172	-69	-10.1	0	0	0	109	K864 G904 S905 W943	K864-N902 WeakPolarHBondContact CG-O 3.16Å; N902-G904 PolarHBondContact O-N 3.24Å; N902-S905 WeakPolarHBondContact CB-OG 3.34Å; N902-S905 PolarHBondContact N-OG 3.46Å; N902-S905 PolarHBondContact O-N 3.36Å; N902-S905 VanDerWaalsContact O-N 3.1Å; N902-S905 PolarHBondContact O-OG 3.42Å; N902-W943 HydrophobicContact CB-CH2 3.91Å; N902-W943 HydrophobicContact CB-CZ2 4.23Å
903	P	90.2	Very high	92	Very high	63 Å²	63	32.7 Å²	32.7	41%	0.409	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.4	174.6	-23.9	33.7	0	0	0	111.6	Q862 S905	Q862-P903 HydrophobicContact CB-CB 4.05Å; P903-S905 VanDerWaalsContact C-N 3.35Å
904	G	88.5	Confident	92.1	Very high	32 Å²	32	34.6 Å²	34.6	33%	0.33	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-0.6	179.9	0	0	0	0	0	115.5	Q845 I863 N902	Q845-G904 PolarHBondContact NE2-O 2.92Å; I863-G904 WeakPolarHBondContact O-CA 3.14Å; I863-G904 PolarHBondContact O-N 2.71Å; N902-G904 PolarHBondContact O-N 3.24Å
905	S	92.5	Very high	92.1	Very high	21 Å²	21	35.8 Å²	35.8	15%	0.147	21%	0.205	C	C	.	.			trans	-106.4	161.5	-179.3	69.4	0	0	0	0	113.6	M865 N902 P903 W943	M865-S905 PolarHBondContact N-O 2.71Å; N902-S905 WeakPolarHBondContact CB-OG 3.34Å; N902-S905 PolarHBondContact N-OG 3.46Å; N902-S905 PolarHBondContact O-N 3.36Å; N902-S905 VanDerWaalsContact O-N 3.1Å; N902-S905 PolarHBondContact O-OG 3.42Å; P903-S905 VanDerWaalsContact C-N 3.35Å; S905-W943 VanDerWaalsContact CB-CZ3 3.47Å; S905-W943 WeakPolarHBondContact OG-CH2 3.46Å; S905-W943 WeakPolarHBondContact OG-CZ3 3.21Å
906	I	95.6	Very high	92.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108.5	-179.8	-56.8	161.1	0	0	0	108.2	L842 Q845 M865 I867 L908 W943 L944	L842-I906 HydrophobicContact CD2-CD1 3.99Å; Q845-I906 HydrophobicContact CB-CD1 4.31Å; M865-I906 HydrophobicContact CB-CB 4.46Å; M865-I906 HydrophobicContact CB-CG1 4.19Å; M865-I906 HydrophobicContact CB-CG2 4.34Å; M865-I906 HydrophobicContact CE-CD1 4.06Å; M865-I906 HydrophobicContact CE-CG1 3.39Å; M865-I906 HydrophobicContact SD-CG1 4.1Å; I867-I906 HydrophobicContact CD1-CG2 3.45Å; I867-I906 VanDerWaalsContact CD1-CG2 3.45Å; I867-I906 HydrophobicContact CG1-CG2 4.08Å; I906-L908 HydrophobicContact CG2-CD1 4.46Å; I906-W943 WeakPolarHBondContact O-CA 3.47Å; I906-L944 HydrophobicContact CB-CB 4.13Å; I906-L944 HydrophobicContact CD1-CD2 4.3Å; I906-L944 HydrophobicContact CG2-CB 4.02Å; I906-L944 HydrophobicContact CG2-CD2 4.16Å; I906-L944 PolarHBondContact O-N 2.92Å
907	Q	96	Very high	92.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.2	-178.4	-170.9	173.1	-31.4	0	0	111.7	M865 I867 M897 T900 G901 R928 F942 W943	M865-Q907 PolarHBondContact O-N 3.46Å; I867-Q907 PolarHBondContact N-O 3.05Å; M897-Q907 HydrophobicContact CB-CG 4.43Å; M897-Q907 VanDerWaalsContact O-CD 3.28Å; M897-Q907 PolarHBondContact O-OE1 3.22Å; M897-Q907 HydrophobicContact SD-CG 4.08Å; M897-Q907 PolarHBondContact SD-NE2 3.36Å; M897-Q907 VanDerWaalsContact SD-NE2 3.39Å; T900-Q907 VanDerWaalsContact C-OE1 3.28Å; T900-Q907 PolarHBondContact O-OE1 2.92Å; T900-Q907 PolarHBondContact OG1-NE2 2.97Å; T900-Q907 PolarHBondContact OG1-OE1 3.42Å; G901-Q907 VanDerWaalsContact N-OE1 3.1Å; Q907-R928 VanDerWaalsContact CD-NH1 3.28Å; Q907-F942 CarbonylContact C-O 3.56Å; Q907-F942 WeakPolarHBondContact CA-O 3.3Å; Q907-W943 HydrophobicContact CB-CE3 4.22Å; Q907-W943 HydrophobicContact CB-CZ3 3.76Å; Q907-W943 HydrophobicContact CG-CZ3 4.28Å
908	L	95.9	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145	174.6	-62	93.1	0	0	0	110.9	I867 I906 T912 A913 L916 L925 T941 F942 L944	I867-L908 HydrophobicContact CB-CD2 4.44Å; I867-L908 HydrophobicContact CB-CG 4.19Å; I867-L908 HydrophobicContact CG2-CD2 4.46Å; I867-L908 WeakPolarHBondContact O-CA 3.07Å; I906-L908 HydrophobicContact CG2-CD1 4.46Å; L908-T912 HydrophobicContact CD2-CG2 4.13Å; L908-A913 HydrophobicContact CB-CB 4.3Å; L908-L916 HydrophobicContact CD2-CD2 4.06Å; L908-L925 HydrophobicContact CD1-CD2 4.02Å; L908-T941 WeakPolarHBondContact O-CA 3.45Å; L908-F942 HydrophobicContact CB-CB 4.49Å; L908-F942 PolarHBondContact N-O 2.76Å; L908-F942 PolarHBondContact O-N 3.1Å; L908-F942 VanDerWaalsContact O-N 3.12Å; L908-L944 HydrophobicContact CD1-CB 3.43Å; L908-L944 VanDerWaalsContact CD1-CB 3.43Å
909	S	93.8	Very high	92.2	Very high	11 Å²	11	44.3 Å²	44.3	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	150.7	165.8	60.2	0	0	0	0	111.1	I867 T868 L911 T912 A913	I867-S909 PolarHBondContact O-N 3.03Å; T868-S909 PolarHBondContact OG1-OG 3.32Å; S909-L911 PolarHBondContact O-N 3.43Å; S909-T912 WeakPolarHBondContact O-CB 3.34Å; S909-T912 PolarHBondContact O-N 3.29Å; S909-T912 WeakPolarHBondContact OG-CB 3.48Å; S909-T912 PolarHBondContact OG-OG1 2.84Å; S909-A913 PolarHBondContact O-N 3.21Å
910	E	93.7	Very high	92.3	Very high	95 Å²	95	43.1 Å²	43.1	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-47.3	-53.2	179.8	-178.5	178.7	-167	0	0	113.4	T912 A913 N914 L940 F942	E910-T912 VanDerWaalsContact C-N 3.26Å; E910-T912 PolarHBondContact O-N 3.03Å; E910-A913 PolarHBondContact O-N 3.05Å; E910-N914 WeakPolarHBondContact O-CB 3.48Å; E910-N914 VanDerWaalsContact O-CG 3.3Å; E910-N914 PolarHBondContact O-N 3.41Å; E910-N914 PolarHBondContact O-ND2 3.16Å; E910-L940 HydrophobicContact CB-CB 4.34Å; E910-L940 WeakPolarHBondContact CB-O 3.44Å; E910-L940 HydrophobicContact CG-CB 4.36Å; E910-L940 HydrophobicContact CG-CD2 4.44Å; E910-L940 PolarHBondContact N-O 3.11Å; E910-F942 HydrophobicContact CG-CE2 4.47Å
911	L	92.1	Very high	92.1	Very high	119 Å²	119	46 Å²	46	62%	0.623	25%	0.251	S	S	*	.	H	α-helix	trans	-57	-41.4	179.8	-172.5	77	0	0	0	112	S909 T915	S909-L911 PolarHBondContact O-N 3.43Å; L911-T915 WeakPolarHBondContact O-CB 3.5Å; L911-T915 PolarHBondContact O-N 3.24Å; L911-T915 VanDerWaalsContact O-N 3.09Å; L911-T915 PolarHBondContact O-OG1 3.43Å
912	T	94.7	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.4	-40	-178.6	-52	0	0	0	0	111.3	L834 I867 T868 S869 L908 S909 E910 T915 L916	L834-T912 HydrophobicContact CD1-CG2 3.42Å; L834-T912 VanDerWaalsContact CD1-CG2 3.42Å; L834-T912 HydrophobicContact CD2-CG2 4.3Å; I867-T912 HydrophobicContact CG2-CG2 4.16Å; T868-T912 WeakPolarHBondContact CA-OG1 3.47Å; S869-T912 PolarHBondContact N-OG1 3.27Å; L908-T912 HydrophobicContact CD2-CG2 4.13Å; S909-T912 WeakPolarHBondContact O-CB 3.34Å; S909-T912 PolarHBondContact O-N 3.29Å; S909-T912 WeakPolarHBondContact OG-CB 3.48Å; S909-T912 PolarHBondContact OG-OG1 2.84Å; E910-T912 VanDerWaalsContact C-N 3.26Å; E910-T912 PolarHBondContact O-N 3.03Å; T912-T915 PolarHBondContact O-N 3.14Å; T912-L916 WeakPolarHBondContact O-CB 3.4Å; T912-L916 PolarHBondContact O-N 3.29Å
913	A	93.9	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-46.7	176.7	0	0	0	0	0	111.5	L908 S909 E910 T915 L916 M917 L925 F942	L908-A913 HydrophobicContact CB-CB 4.3Å; S909-A913 PolarHBondContact O-N 3.21Å; E910-A913 PolarHBondContact O-N 3.05Å; A913-T915 VanDerWaalsContact C-N 3.33Å; A913-T915 PolarHBondContact O-N 3.01Å; A913-L916 WeakPolarHBondContact O-CB 3.5Å; A913-L916 PolarHBondContact O-N 3.12Å; A913-L916 VanDerWaalsContact O-N 3.13Å; A913-M917 HydrophobicContact CB-CE 4.2Å; A913-M917 WeakPolarHBondContact O-CG 3.17Å; A913-M917 PolarHBondContact O-N 3.48Å; A913-L925 HydrophobicContact CB-CD1 4.02Å; A913-F942 HydrophobicContact CB-CB 3.75Å; A913-F942 HydrophobicContact CB-CD1 4.24Å; A913-F942 HydrophobicContact CB-CD2 3.19Å; A913-F942 HydrophobicContact CB-CE2 3.8Å; A913-F942 HydrophobicContact CB-CG 3.46Å; A913-F942 VanDerWaalsContact CB-CG 3.46Å
914	N	93.3	Very high	92.4	Very high	73 Å²	73	44.4 Å²	44.4	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-45.5	176.3	-69.2	-15.7	0	0	0	111.3	E910 L916 M917 E918	E910-N914 WeakPolarHBondContact O-CB 3.48Å; E910-N914 VanDerWaalsContact O-CG 3.3Å; E910-N914 PolarHBondContact O-N 3.41Å; E910-N914 PolarHBondContact O-ND2 3.16Å; N914-L916 VanDerWaalsContact C-N 3.32Å; N914-L916 PolarHBondContact O-N 3.35Å; N914-M917 PolarHBondContact O-N 3.27Å; N914-M917 WeakPolarHBondContact OD1-CE 3.46Å; N914-E918 WeakPolarHBondContact O-CB 3.46Å; N914-E918 PolarHBondContact O-N 2.63Å
915	T	92.4	Very high	92.5	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-39.3	176.3	-53.3	0	0	0	0	111.9	F831 L834 L911 T912 A913 K919	F831-T915 HydrophobicContact CB-CG2 4.38Å; F831-T915 HydrophobicContact CD1-CG2 3.46Å; F831-T915 VanDerWaalsContact CD1-CG2 3.46Å; F831-T915 HydrophobicContact CD2-CG2 4.34Å; F831-T915 HydrophobicContact CE1-CG2 3.71Å; F831-T915 HydrophobicContact CG-CG2 3.8Å; F831-T915 HydrophobicContact CZ-CG2 4.25Å; L834-T915 HydrophobicContact CD2-CG2 3.88Å; L911-T915 WeakPolarHBondContact O-CB 3.5Å; L911-T915 PolarHBondContact O-N 3.24Å; L911-T915 VanDerWaalsContact O-N 3.09Å; L911-T915 PolarHBondContact O-OG1 3.43Å; T912-T915 PolarHBondContact O-N 3.14Å; A913-T915 VanDerWaalsContact C-N 3.33Å; A913-T915 PolarHBondContact O-N 3.01Å; T915-K919 HydrophobicContact CG2-CG 4.32Å; T915-K919 WeakPolarHBondContact O-CB 3.19Å; T915-K919 WeakPolarHBondContact O-CG 3.42Å; T915-K919 PolarHBondContact O-N 2.82Å
916	L	93.6	Very high	92.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-67.3	-43.2	178.3	-170.8	69	0	0	0	111.6	L834 L908 T912 A913 N914 F920 F923 L925 L944	L834-L916 HydrophobicContact CD1-CD1 4.48Å; L834-L916 HydrophobicContact CD2-CB 4.04Å; L834-L916 HydrophobicContact CD2-CD1 4.15Å; L834-L916 HydrophobicContact CG-CD1 3.95Å; L908-L916 HydrophobicContact CD2-CD2 4.06Å; T912-L916 WeakPolarHBondContact O-CB 3.4Å; T912-L916 PolarHBondContact O-N 3.29Å; A913-L916 WeakPolarHBondContact O-CB 3.5Å; A913-L916 PolarHBondContact O-N 3.12Å; A913-L916 VanDerWaalsContact O-N 3.13Å; N914-L916 VanDerWaalsContact C-N 3.32Å; N914-L916 PolarHBondContact O-N 3.35Å; L916-F920 HydrophobicContact CD1-CB 4.09Å; L916-F920 HydrophobicContact CD1-CD2 4.01Å; L916-F920 HydrophobicContact CD1-CG 4.48Å; L916-F920 CarbonylContact O-C 3.45Å; L916-F920 VanDerWaalsContact O-C 3.29Å; L916-F920 WeakPolarHBondContact O-CA 3.28Å; L916-F920 PolarHBondContact O-N 2.74Å; L916-F923 HydrophobicContact CD1-CD2 3.61Å; L916-F923 HydrophobicContact CD1-CE2 4.03Å; L916-F923 HydrophobicContact CD1-CG 4.19Å; L916-F923 HydrophobicContact CD2-CB 3.93Å; L916-F923 HydrophobicContact CD2-CD2 4.44Å; L916-F923 HydrophobicContact CD2-CG 4.22Å; L916-F923 HydrophobicContact CG-CB 4.18Å; L916-F923 HydrophobicContact CG-CD2 4.16Å; L916-F923 HydrophobicContact CG-CG 4.39Å; L916-L925 HydrophobicContact CB-CD1 4.41Å; L916-L925 HydrophobicContact CD2-CD1 4.11Å; L916-L925 HydrophobicContact CD2-CD2 3.92Å; L916-L925 HydrophobicContact CD2-CG 4.25Å; L916-L944 HydrophobicContact CD2-CD1 4.27Å
917	M	91.5	Very high	92.4	Very high	88 Å²	88	55.5 Å²	55.5	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-62.3	-43.1	177	-70.7	-173.2	-92.6	0	0	111.8	A913 N914 L925 F942	A913-M917 HydrophobicContact CB-CE 4.2Å; A913-M917 WeakPolarHBondContact O-CG 3.17Å; A913-M917 PolarHBondContact O-N 3.48Å; N914-M917 PolarHBondContact O-N 3.27Å; N914-M917 WeakPolarHBondContact OD1-CE 3.46Å; M917-L925 HydrophobicContact CE-CD1 4.19Å; M917-L925 HydrophobicContact CG-CD1 3.52Å; M917-L925 HydrophobicContact SD-CD1 4.17Å; M917-F942 HydrophobicContact CE-CD1 4.27Å; M917-F942 HydrophobicContact CE-CE1 3.82Å; M917-F942 HydrophobicContact CE-CZ 4.05Å
918	E	91	Very high	92.1	Very high	135 Å²	135	59 Å²	59	63%	0.631	29%	0.293	S	S	*	.	H	α-helix	trans	-69.6	-46	-179.1	-166.4	-159.8	143.6	0	0	112	N914	N914-E918 WeakPolarHBondContact O-CB 3.46Å; N914-E918 PolarHBondContact O-N 2.63Å
919	K	90.4	Very high	91.7	Very high	90 Å²	90	59.9 Å²	59.9	39%	0.391	30%	0.302	S	S	.	.	H	α-helix	trans	-93.2	-25.7	-170.6	-58.7	-54.1	-171.5	-159.3	0	114.2	F831 T915	F831-K919 HydrophobicContact CB-CG 4.41Å; F831-K919 HydrophobicContact CD2-CD 4.2Å; F831-K919 HydrophobicContact CD2-CG 3.78Å; F831-K919 HydrophobicContact CE2-CG 4.42Å; F831-K919 HydrophobicContact CG-CG 4.27Å; T915-K919 HydrophobicContact CG2-CG 4.32Å; T915-K919 WeakPolarHBondContact O-CB 3.19Å; T915-K919 WeakPolarHBondContact O-CG 3.42Å; T915-K919 PolarHBondContact O-N 2.82Å
920	F	90.7	Very high	91.6	Very high	36 Å²	36	65.2 Å²	65.2	16%	0.158	33%	0.327	C	S	.	.			trans	-139.5	70.8	-173.2	-54.6	-72	0	0	0	112.2	F831 R835 L916 S922 F923	F831-F920 HydrophobicContact CB-CE2 3.98Å; F831-F920 HydrophobicContact CB-CZ 4.41Å; F831-F920 WeakPolarHBondContact O-CE2 3.29Å; F831-F920 WeakPolarHBondContact O-CZ 3.08Å; R835-F920 HydrophobicContact CB-CD1 4.24Å; R835-F920 HydrophobicContact CB-CD2 4.26Å; R835-F920 HydrophobicContact CB-CE1 3.96Å; R835-F920 HydrophobicContact CB-CE2 3.97Å; R835-F920 HydrophobicContact CB-CG 4.38Å; R835-F920 HydrophobicContact CB-CZ 3.81Å; R835-F920 HydrophobicContact CG-CD1 4.34Å; R835-F920 HydrophobicContact CG-CE1 4.32Å; L916-F920 HydrophobicContact CD1-CB 4.09Å; L916-F920 HydrophobicContact CD1-CD2 4.01Å; L916-F920 HydrophobicContact CD1-CG 4.48Å; L916-F920 CarbonylContact O-C 3.45Å; L916-F920 VanDerWaalsContact O-C 3.29Å; L916-F920 WeakPolarHBondContact O-CA 3.28Å; L916-F920 PolarHBondContact O-N 2.74Å; F920-S922 PolarHBondContact O-N 3.37Å; F920-F923 HydrophobicContact CB-CD2 3.71Å; F920-F923 HydrophobicContact CB-CE2 3.96Å; F920-F923 HydrophobicContact CG-CE2 4.49Å; F920-F923 PolarHBondContact O-N 3.44Å; F920-F923 VanDerWaalsContact O-N 3.16Å
921	P	86.8	Confident	91.4	Very high	94 Å²	94	62 Å²	62	61%	0.61	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-2.2	-176.3	27.5	-36.6	0	0	0	115	F923	P921-F923 VanDerWaalsContact C-N 3.32Å
922	S	89.4	Confident	91.2	Very high	29 Å²	29	62.5 Å²	62.5	20%	0.203	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-23.9	173	59.8	0	0	0	0	112.9	F920 E947 K948	F920-S922 PolarHBondContact O-N 3.37Å; S922-E947 CarbonylContact O-C 3.59Å; S922-E947 WeakPolarHBondContact O-CA 3.42Å; S922-K948 PolarHBondContact O-N 2.94Å
923	F	92.1	Very high	90.7	Very high	14 Å²	14	62.7 Å²	62.7	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	143.7	177	-67.7	-78.9	0	0	0	111.6	R835 C838 K839 L842 L916 F920 P921 L944 G946 E947	R835-F923 HydrophobicContact CG-CE2 4.04Å; R835-F923 HydrophobicContact CG-CZ 4.18Å; C838-F923 HydrophobicContact CB-CD1 4.18Å; C838-F923 HydrophobicContact CB-CE1 3.65Å; C838-F923 HydrophobicContact CB-CE2 4.31Å; C838-F923 HydrophobicContact CB-CZ 3.72Å; K839-F923 HydrophobicContact CG-CE1 4.42Å; K839-F923 HydrophobicContact CG-CZ 4.07Å; L842-F923 HydrophobicContact CD1-CD1 4.16Å; L842-F923 HydrophobicContact CD1-CE1 4.03Å; L916-F923 HydrophobicContact CD1-CD2 3.61Å; L916-F923 HydrophobicContact CD1-CE2 4.03Å; L916-F923 HydrophobicContact CD1-CG 4.19Å; L916-F923 HydrophobicContact CD2-CB 3.93Å; L916-F923 HydrophobicContact CD2-CD2 4.44Å; L916-F923 HydrophobicContact CD2-CG 4.22Å; L916-F923 HydrophobicContact CG-CB 4.18Å; L916-F923 HydrophobicContact CG-CD2 4.16Å; L916-F923 HydrophobicContact CG-CG 4.39Å; F920-F923 HydrophobicContact CB-CD2 3.71Å; F920-F923 HydrophobicContact CB-CE2 3.96Å; F920-F923 HydrophobicContact CG-CE2 4.49Å; F920-F923 PolarHBondContact O-N 3.44Å; F920-F923 VanDerWaalsContact O-N 3.16Å; P921-F923 VanDerWaalsContact C-N 3.32Å; F923-L944 HydrophobicContact CB-CD1 3.95Å; F923-L944 HydrophobicContact CD1-CD1 3.89Å; F923-L944 HydrophobicContact CG-CD1 4.27Å; F923-G946 CarbonylContact C-O 3.53Å; F923-G946 WeakPolarHBondContact CA-O 3.49Å; F923-E947 HydrophobicContact CD1-CB 4Å; F923-E947 HydrophobicContact CD1-CG 4.22Å; F923-E947 HydrophobicContact CE1-CB 4.1Å; F923-E947 HydrophobicContact CE1-CG 4.14Å
924	M	92.1	Very high	90	Very high	70 Å²	70	70.4 Å²	70.4	35%	0.345	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.2	178.6	-60.3	-175.2	-63.9	0	0	108.9	T945 G946 K948	M924-T945 WeakPolarHBondContact CB-OG1 3.44Å; M924-T945 PolarHBondContact O-N 3.45Å; M924-T945 PolarHBondContact O-OG1 2.95Å; M924-G946 PolarHBondContact N-O 3.32Å; M924-K948 HydrophobicContact CG-CG 4.03Å; M924-K948 HydrophobicContact SD-CG 4.18Å
925	L	92	Very high	89.4	Confident	37 Å²	37	70.7 Å²	70.7	19%	0.194	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.3	178	-65.5	-177.8	0	0	0	110.4	L908 A913 L916 M917 W943 L944	L908-L925 HydrophobicContact CD1-CD2 4.02Å; A913-L925 HydrophobicContact CB-CD1 4.02Å; L916-L925 HydrophobicContact CB-CD1 4.41Å; L916-L925 HydrophobicContact CD2-CD1 4.11Å; L916-L925 HydrophobicContact CD2-CD2 3.92Å; L916-L925 HydrophobicContact CD2-CG 4.25Å; M917-L925 HydrophobicContact CE-CD1 4.19Å; M917-L925 HydrophobicContact CG-CD1 3.52Å; M917-L925 HydrophobicContact SD-CD1 4.17Å; L925-W943 CarbonylContact C-O 3.29Å; L925-W943 VanDerWaalsContact CA-O 3.23Å; L925-W943 WeakPolarHBondContact CA-O 3.42Å; L925-W943 WeakPolarHBondContact CD2-O 3.31Å; L925-L944 HydrophobicContact CD2-CB 3.94Å; L925-L944 HydrophobicContact CD2-CD1 3.86Å
926	E	92.7	Very high	88.8	Confident	113 Å²	113	74.6 Å²	74.6	53%	0.528	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.9	171.8	-68.3	174	-172.3	0	0	108.9	R928 F942 W943 T945	E926-R928 PolarHBondContact O-N 3.42Å; E926-F942 CarbonylContact O-C 3.6Å; E926-F942 WeakPolarHBondContact O-CA 3.41Å; E926-W943 HydrophobicContact CB-CB 4.31Å; E926-W943 PolarHBondContact N-O 3.31Å; E926-W943 PolarHBondContact O-N 3.37Å; E926-T945 HydrophobicContact CB-CG2 4.46Å; E926-T945 HydrophobicContact CG-CG2 3.99Å
927	E	92.6	Very high	88.4	Confident	136 Å²	136	76.4 Å²	76.4	64%	0.636	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.2	174.5	-169.5	-176	144.9	0	0	109.7	L940 F942	E927-L940 HydrophobicContact CG-CD1 3.89Å; E927-F942 HydrophobicContact CB-CD1 4.24Å; E927-F942 HydrophobicContact CB-CE1 4.07Å; E927-F942 HydrophobicContact CG-CE1 4.13Å
928	R	88.8	Confident	88.3	Confident	73 Å²	73	74.9 Å²	74.9	28%	0.275	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-31.9	175.4	178.9	178.3	175.5	-177.5	-4.6	112.2	T900 Q907 E926 I931 T941 W943	T900-R928 VanDerWaalsContact O-CZ 3.32Å; T900-R928 PolarHBondContact O-NH1 3.05Å; T900-R928 PolarHBondContact O-NH2 3.35Å; Q907-R928 VanDerWaalsContact CD-NH1 3.28Å; E926-R928 PolarHBondContact O-N 3.42Å; R928-I931 VanDerWaalsContact NE-CD1 3.35Å; R928-I931 VanDerWaalsContact NH1-CD1 3.27Å; R928-T941 WeakPolarHBondContact CB-O 3.2Å; R928-T941 WeakPolarHBondContact CD-OG1 3.28Å; R928-T941 PolarHBondContact N-O 3.17Å; R928-W943 HydrophobicContact CB-CG 4.48Å; R928-W943 VanDerWaalsContact CD-CE2 3.45Å; R928-W943 HydrophobicContact CG-CZ2 3.94Å
929	G	89.1	Confident	88.1	Confident	19 Å²	19	69.7 Å²	69.7	20%	0.196	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101	-170.3	-169.9	0	0	0	0	0	113.1	T941	G929-T941 PolarHBondContact O-N 3.28Å; G929-T941 PolarHBondContact O-OG1 3.3Å
930	M	90.2	Very high	88.2	Confident	123 Å²	123	66.9 Å²	66.9	61%	0.606	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	136.1	-173.8	-59.9	-63.8	-78.6	0	0	111.9	A938 C939 L940	M930-A938 HydrophobicContact CE-CB 3.84Å; M930-A938 WeakPolarHBondContact CE-O 3.19Å; M930-C939 WeakPolarHBondContact CA-O 3.4Å; M930-L940 HydrophobicContact SD-CB 3.78Å; M930-L940 HydrophobicContact SD-CD1 4.18Å
931	I	89.5	Confident	88.3	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.138	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.2	176	-55.4	171.6	0	0	0	109.6	T900 R928 V933 A938 C939 T941	T900-I931 HydrophobicContact CG2-CG2 4.22Å; R928-I931 VanDerWaalsContact NE-CD1 3.35Å; R928-I931 VanDerWaalsContact NH1-CD1 3.27Å; I931-V933 PolarHBondContact O-N 3.49Å; I931-A938 CarbonylContact O-C 3.53Å; I931-A938 WeakPolarHBondContact O-CA 3.36Å; I931-C939 PolarHBondContact N-O 3.27Å; I931-C939 PolarHBondContact O-N 3.44Å; I931-T941 HydrophobicContact CD1-CG2 3.95Å; I931-T941 WeakPolarHBondContact CD1-OG1 3.29Å
932	D	87.6	Confident	88.7	Confident	131 Å²	131	61.5 Å²	61.5	70%	0.701	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	111.6	170.4	-73.4	-37.3	0	0	0	112
933	V	84.5	Confident	89	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.2	175.7	177.8	0	0	0	0	108.6	M893 R896 M897 I931 G935 K936 G937 C939	M893-V933 HydrophobicContact SD-CG1 4.38Å; R896-V933 HydrophobicContact CB-CG1 3.75Å; R896-V933 HydrophobicContact CG-CG1 3.74Å; M897-V933 HydrophobicContact CE-CG2 3.71Å; I931-V933 PolarHBondContact O-N 3.49Å; V933-G935 PolarHBondContact O-N 2.75Å; V933-G935 VanDerWaalsContact O-N 3.07Å; V933-K936 HydrophobicContact CB-CB 4.17Å; V933-K936 HydrophobicContact CG1-CB 4.1Å; V933-K936 HydrophobicContact CG1-CG 4.36Å; V933-K936 PolarHBondContact O-N 3.03Å; V933-G937 PolarHBondContact N-O 2.79Å; V933-G937 PolarHBondContact O-N 2.89Å; V933-C939 HydrophobicContact CG2-CB 4.05Å
934	K	80.9	Confident	89.1	Confident	162 Å²	162	61.3 Å²	61.3	70%	0.704	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	118.2	179.7	169.7	179	178.7	179	0	110.9	R896	R896-K934 VanDerWaalsContact CZ-CB 3.44Å; R896-K934 PolarHBondContact NE-O 3.38Å; R896-K934 PolarHBondContact NH2-O 3.24Å
935	G	79.6	Confident	89.1	Confident	80 Å²	80	60.6 Å²	60.6	83%	0.825	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-5.7	-178	0	0	0	0	0	115.4	V933	V933-G935 PolarHBondContact O-N 2.75Å; V933-G935 VanDerWaalsContact O-N 3.07Å
936	K	80.5	Confident	88.9	Confident	106 Å²	106	59.3 Å²	59.3	46%	0.461	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-14.7	-178.6	-66.8	-72.8	-173.7	177.8	0	114.2	D889 M893 V933	D889-K936 IonicContact OD1-NZ 2.86Å; D889-K936 WeakPolarHBondContact OD2-CE 3.29Å; D889-K936 IonicContact OD2-NZ 3.77Å; D889-K936 PolarHBondContact OD2-NZ 2.94Å; M893-K936 HydrophobicContact CE-CB 4.45Å; M893-K936 HydrophobicContact CE-CD 4.03Å; M893-K936 HydrophobicContact CE-CG 3.73Å; V933-K936 HydrophobicContact CB-CB 4.17Å; V933-K936 HydrophobicContact CG1-CB 4.1Å; V933-K936 HydrophobicContact CG1-CG 4.36Å; V933-K936 PolarHBondContact O-N 3.03Å
937	G	85.4	Confident	88.7	Confident	38 Å²	38	54.8 Å²	54.8	39%	0.392	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.9	-158.5	-177.1	0	0	0	0	0	111.9	V933 C939	V933-G937 PolarHBondContact N-O 2.79Å; V933-G937 PolarHBondContact O-N 2.89Å; G937-C939 PolarHBondContact O-N 3.49Å
938	A	88.1	Confident	88	Confident	56 Å²	56	54.7 Å²	54.7	46%	0.463	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.9	178.4	0	0	0	0	0	110.5	M930 I931	M930-A938 HydrophobicContact CE-CB 3.84Å; M930-A938 WeakPolarHBondContact CE-O 3.19Å; I931-A938 CarbonylContact O-C 3.53Å; I931-A938 WeakPolarHBondContact O-CA 3.36Å
939	C	87.8	Confident	86.7	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.6	-179.7	-60.3	0	0	0	0	110.9	M930 I931 V933 G937	M930-C939 WeakPolarHBondContact CA-O 3.4Å; I931-C939 PolarHBondContact N-O 3.27Å; I931-C939 PolarHBondContact O-N 3.44Å; V933-C939 HydrophobicContact CG2-CB 4.05Å; G937-C939 PolarHBondContact O-N 3.49Å
940	L	92.3	Very high	85.2	Confident	31 Å²	31	59 Å²	59	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.7	170.9	-174.5	62.4	0	0	0	110.1	E910 E927 M930 F942	E910-L940 HydrophobicContact CB-CB 4.34Å; E910-L940 WeakPolarHBondContact CB-O 3.44Å; E910-L940 HydrophobicContact CG-CB 4.36Å; E910-L940 HydrophobicContact CG-CD2 4.44Å; E910-L940 PolarHBondContact N-O 3.11Å; E927-L940 HydrophobicContact CG-CD1 3.89Å; M930-L940 HydrophobicContact SD-CB 3.78Å; M930-L940 HydrophobicContact SD-CD1 4.18Å; L940-F942 HydrophobicContact CD2-CE2 3.82Å; L940-F942 HydrophobicContact CD2-CZ 3.77Å; L940-F942 HydrophobicContact CG-CE2 3.84Å; L940-F942 HydrophobicContact CG-CZ 4.16Å
941	T	92.8	Very high	83.2	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.7	-178.7	60	0	0	0	0	111.5	M897 L908 R928 G929 I931	M897-T941 HydrophobicContact CE-CG2 4.2Å; M897-T941 HydrophobicContact SD-CG2 3.89Å; L908-T941 WeakPolarHBondContact O-CA 3.45Å; R928-T941 WeakPolarHBondContact CB-O 3.2Å; R928-T941 WeakPolarHBondContact CD-OG1 3.28Å; R928-T941 PolarHBondContact N-O 3.17Å; G929-T941 PolarHBondContact O-N 3.28Å; G929-T941 PolarHBondContact O-OG1 3.3Å; I931-T941 HydrophobicContact CD1-CG2 3.95Å; I931-T941 WeakPolarHBondContact CD1-OG1 3.29Å
942	F	95	Very high	81.1	Confident	17 Å²	17	69.7 Å²	69.7	8%	0.075	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.1	-176	-64.8	-99.8	0	0	0	110.8	Q907 L908 E910 A913 M917 E926 E927 L940	Q907-F942 CarbonylContact C-O 3.56Å; Q907-F942 WeakPolarHBondContact CA-O 3.3Å; L908-F942 HydrophobicContact CB-CB 4.49Å; L908-F942 PolarHBondContact N-O 2.76Å; L908-F942 PolarHBondContact O-N 3.1Å; L908-F942 VanDerWaalsContact O-N 3.12Å; E910-F942 HydrophobicContact CG-CE2 4.47Å; A913-F942 HydrophobicContact CB-CB 3.75Å; A913-F942 HydrophobicContact CB-CD1 4.24Å; A913-F942 HydrophobicContact CB-CD2 3.19Å; A913-F942 HydrophobicContact CB-CE2 3.8Å; A913-F942 HydrophobicContact CB-CG 3.46Å; A913-F942 VanDerWaalsContact CB-CG 3.46Å; M917-F942 HydrophobicContact CE-CD1 4.27Å; M917-F942 HydrophobicContact CE-CE1 3.82Å; M917-F942 HydrophobicContact CE-CZ 4.05Å; E926-F942 CarbonylContact O-C 3.6Å; E926-F942 WeakPolarHBondContact O-CA 3.41Å; E927-F942 HydrophobicContact CB-CD1 4.24Å; E927-F942 HydrophobicContact CB-CE1 4.07Å; E927-F942 HydrophobicContact CG-CE1 4.13Å; L940-F942 HydrophobicContact CD2-CE2 3.82Å; L940-F942 HydrophobicContact CD2-CZ 3.77Å; L940-F942 HydrophobicContact CG-CE2 3.84Å; L940-F942 HydrophobicContact CG-CZ 4.16Å
943	W	95.2	Very high	79.1	Confident	35 Å²	35	72.1 Å²	72.1	13%	0.133	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.3	169	-62.2	124.5	0	0	0	110.4	N902 S905 I906 Q907 L925 E926 R928 T945	N902-W943 HydrophobicContact CB-CH2 3.91Å; N902-W943 HydrophobicContact CB-CZ2 4.23Å; S905-W943 VanDerWaalsContact CB-CZ3 3.47Å; S905-W943 WeakPolarHBondContact OG-CH2 3.46Å; S905-W943 WeakPolarHBondContact OG-CZ3 3.21Å; I906-W943 WeakPolarHBondContact O-CA 3.47Å; Q907-W943 HydrophobicContact CB-CE3 4.22Å; Q907-W943 HydrophobicContact CB-CZ3 3.76Å; Q907-W943 HydrophobicContact CG-CZ3 4.28Å; L925-W943 CarbonylContact C-O 3.29Å; L925-W943 VanDerWaalsContact CA-O 3.23Å; L925-W943 WeakPolarHBondContact CA-O 3.42Å; L925-W943 WeakPolarHBondContact CD2-O 3.31Å; E926-W943 HydrophobicContact CB-CB 4.31Å; E926-W943 PolarHBondContact N-O 3.31Å; E926-W943 PolarHBondContact O-N 3.37Å; R928-W943 HydrophobicContact CB-CG 4.48Å; R928-W943 VanDerWaalsContact CD-CE2 3.45Å; R928-W943 HydrophobicContact CG-CZ2 3.94Å; W943-T945 HydrophobicContact CB-CG2 4.31Å
944	L	94.6	Very high	77.2	Confident	3 Å²	3	79 Å²	79	2%	0.016	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119	165.1	173.3	70	0	0	0	109.9	C838 L842 I906 L908 L916 F923 L925	C838-L944 HydrophobicContact CB-CD2 3.93Å; L842-L944 HydrophobicContact CD2-CD2 4.36Å; L842-L944 HydrophobicContact CD2-CG 4.2Å; L842-L944 HydrophobicContact CG-CD2 4.15Å; L842-L944 HydrophobicContact CG-CG 4.46Å; I906-L944 HydrophobicContact CB-CB 4.13Å; I906-L944 HydrophobicContact CD1-CD2 4.3Å; I906-L944 HydrophobicContact CG2-CB 4.02Å; I906-L944 HydrophobicContact CG2-CD2 4.16Å; I906-L944 PolarHBondContact O-N 2.92Å; L908-L944 HydrophobicContact CD1-CB 3.43Å; L908-L944 VanDerWaalsContact CD1-CB 3.43Å; L916-L944 HydrophobicContact CD2-CD1 4.27Å; F923-L944 HydrophobicContact CB-CD1 3.95Å; F923-L944 HydrophobicContact CD1-CD1 3.89Å; F923-L944 HydrophobicContact CG-CD1 4.27Å; L925-L944 HydrophobicContact CD2-CB 3.94Å; L925-L944 HydrophobicContact CD2-CD1 3.86Å
945	T	91.1	Very high	75.5	Confident	56 Å²	56	76.3 Å²	76.3	34%	0.344	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-22.1	-172.7	58.8	0	0	0	0	114.3	M924 E926 W943	M924-T945 WeakPolarHBondContact CB-OG1 3.44Å; M924-T945 PolarHBondContact O-N 3.45Å; M924-T945 PolarHBondContact O-OG1 2.95Å; E926-T945 HydrophobicContact CB-CG2 4.46Å; E926-T945 HydrophobicContact CG-CG2 3.99Å; W943-T945 HydrophobicContact CB-CG2 4.31Å
946	G	89	Confident	73.9	Confident	9 Å²	9	76.2 Å²	76.2	9%	0.093	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-170.2	175.3	0	0	0	0	0	115.5	F923 M924	F923-G946 CarbonylContact C-O 3.53Å; F923-G946 WeakPolarHBondContact CA-O 3.49Å; M924-G946 PolarHBondContact N-O 3.32Å
947	E	88.4	Confident	72.1	Confident	18 Å²	18	79.9 Å²	79.9	8%	0.084	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.6	176.3	-173.7	178.6	-159.3	0	0	109.9	L842 S922 F923 D949 I950	L842-E947 HydrophobicContact CD1-CB 4.15Å; S922-E947 CarbonylContact O-C 3.59Å; S922-E947 WeakPolarHBondContact O-CA 3.42Å; F923-E947 HydrophobicContact CD1-CB 4Å; F923-E947 HydrophobicContact CD1-CG 4.22Å; F923-E947 HydrophobicContact CE1-CB 4.1Å; F923-E947 HydrophobicContact CE1-CG 4.14Å; E947-D949 PolarHBondContact O-N 3.25Å; E947-D949 VanDerWaalsContact O-N 3.07Å; E947-I950 HydrophobicContact CB-CD1 4.15Å; E947-I950 HydrophobicContact CB-CG1 4.42Å; E947-I950 PolarHBondContact O-N 3.24Å
948	K	77.8	Confident	70.3	Confident	135 Å²	135	82.3 Å²	82.3	59%	0.587	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.9	-170.2	-72.1	175.9	179.6	167.5	0	115.1	S922 M924	S922-K948 PolarHBondContact O-N 2.94Å; M924-K948 HydrophobicContact CG-CG 4.03Å; M924-K948 HydrophobicContact SD-CG 4.18Å
949	D	62.2	Low	68.3	Low	97 Å²	97	83.3 Å²	83.3	52%	0.519	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-13.2	-176.7	-81.3	-29.4	0	0	0	115.6	E947	E947-D949 PolarHBondContact O-N 3.25Å; E947-D949 VanDerWaalsContact O-N 3.07Å
950	I	55.9	Low	66.1	Low	84 Å²	84	85.4 Å²	85.4	43%	0.431	43%	0.43	S	S	.	.	H	α-helix	trans	-76.8	-29.2	-176.8	-64.1	176.9	0	0	0	111.4	E947 R952	E947-I950 HydrophobicContact CB-CD1 4.15Å; E947-I950 HydrophobicContact CB-CG1 4.42Å; E947-I950 PolarHBondContact O-N 3.24Å; I950-R952 PolarHBondContact O-N 3.41Å
951	M	49.5	Very low	64	Low	162 Å²	162	89.1 Å²	89.1	80%	0.798	45%	0.449	S	S	*	.	H	α-helix	trans	-72.4	-25.4	-177.2	-69.1	-144.3	166.5	0	0	114.4
952	R	44.7	Very low	62.1	Low	214 Å²	214	92.7 Å²	92.7	81%	0.808	47%	0.474	S	S	*	.	H	α-helix	trans	-80.9	-24.2	179.4	-83.3	-177.5	172.6	172.5	-2.2	114.5	I950	I950-R952 PolarHBondContact O-N 3.41Å
953	R	44.6	Very low	60	Low	181 Å²	181	98.4 Å²	98.4	68%	0.683	50%	0.501	S	S	*	.	H	α-helix	trans	-88.9	-13.6	-173.9	-80.1	-180	170.7	148.3	-2.4	115.3
954	Q	45.8	Very low	57.9	Low	148 Å²	148	101.4 Å²	101.4	69%	0.692	52%	0.519	S	S	*	.	H	α-helix	trans	-78.3	-25.8	179.3	-75.1	-176.6	-19.6	0	0	113.4
955	S	45.3	Very low	55.8	Low	105 Å²	105	108 Å²	108	73%	0.734	55%	0.547	S	S	*	.	H	α-helix	trans	-70.7	-39.3	178.8	177.9	0	0	0	0	113.1
956	S	45.5	Very low	54	Low	78 Å²	78	112.2 Å²	112.2	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-85	-16.1	-174.5	47	0	0	0	0	115.3
957	R	43.2	Very low	52.4	Low	183 Å²	183	118.4 Å²	118.4	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-84.9	-18.3	179.4	-100.2	178.7	165.5	161.2	-4.2	114.4	I961	R957-I961 WeakPolarHBondContact O-CG1 3.41Å
958	S	47.7	Very low	50.6	Low	89 Å²	89	122.9 Å²	122.9	62%	0.622	61%	0.612	S	S	*	*	H	α-helix	trans	-67.8	-34.4	-178.4	-165.3	0	0	0	0	112.7
959	S	45.1	Very low	49.5	Very low	77 Å²	77	121.4 Å²	121.4	54%	0.538	61%	0.61	S	S	.	*	H	α-helix	trans	-79.4	-27.8	-177	78.4	0	0	0	0	114.6	S962	S959-S962 PolarHBondContact O-OG 2.97Å
960	C	41.8	Very low	49.1	Very low	70 Å²	70	123 Å²	123	47%	0.473	62%	0.615	S	S	.	*	H	α-helix	trans	-80.7	-27.3	178	-67.6	0	0	0	0	112.9	I964	C960-I964 WeakPolarHBondContact O-CG1 3.4Å; C960-I964 PolarHBondContact O-N 2.97Å
961	I	49.4	Very low	49	Very low	109 Å²	109	121.7 Å²	121.7	56%	0.559	62%	0.616	S	S	*	*	H	α-helix	trans	-74.3	-31.9	-179	-67.6	172.1	0	0	0	111.3	R957 K965	R957-I961 WeakPolarHBondContact O-CG1 3.41Å; I961-K965 WeakPolarHBondContact O-CB 3.32Å; I961-K965 PolarHBondContact O-N 2.97Å
962	S	51.6	Low	49.1	Very low	77 Å²	77	118.2 Å²	118.2	54%	0.538	60%	0.6	S	S	.	*	H	α-helix	trans	-67.8	-34.7	175.1	50.6	0	0	0	0	112.9	S959 F966	S959-S962 PolarHBondContact O-OG 2.97Å; S962-F966 PolarHBondContact O-N 3.37Å
963	Q	51.3	Low	49.5	Very low	136 Å²	136	113.6 Å²	113.6	64%	0.636	59%	0.592	S	S	*	*	H	α-helix	trans	-71.4	-43.3	178.6	-117.6	163.8	-17.3	0	0	112.4	K965 F966 E967	Q963-K965 VanDerWaalsContact C-N 3.33Å; Q963-K965 PolarHBondContact O-N 3.13Å; Q963-F966 PolarHBondContact O-N 3.47Å; Q963-E967 PolarHBondContact O-N 3.1Å
964	I	52	Low	49.8	Very low	98 Å²	98	109 Å²	109	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-70.1	-30.3	179.7	-64.6	167.8	0	0	0	111.8	C960 L968	C960-I964 WeakPolarHBondContact O-CG1 3.4Å; C960-I964 PolarHBondContact O-N 2.97Å; I964-L968 HydrophobicContact CG2-CD1 3.79Å; I964-L968 WeakPolarHBondContact O-CB 3.43Å; I964-L968 WeakPolarHBondContact O-CD1 3.49Å; I964-L968 WeakPolarHBondContact O-CG 3.29Å; I964-L968 PolarHBondContact O-N 3.41Å
965	K	50.9	Low	49.9	Very low	141 Å²	141	109.1 Å²	109.1	61%	0.613	59%	0.586	S	S	*	*	H	α-helix	trans	-71.5	-33.2	177.9	-155.4	175.9	-175.3	-174.4	0	112.5	I961 Q963 D969	I961-K965 WeakPolarHBondContact O-CB 3.32Å; I961-K965 PolarHBondContact O-N 2.97Å; Q963-K965 VanDerWaalsContact C-N 3.33Å; Q963-K965 PolarHBondContact O-N 3.13Å; K965-D969 PolarHBondContact O-N 3.44Å
966	F	53.3	Low	50.2	Low	145 Å²	145	110.4 Å²	110.4	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-70.8	-41.1	176.6	-161.5	-90.7	0	0	0	112	S962 Q963 D969 E970	S962-F966 PolarHBondContact O-N 3.37Å; Q963-F966 PolarHBondContact O-N 3.47Å; F966-D969 PolarHBondContact O-N 3.36Å; F966-E970 PolarHBondContact O-N 2.96Å
967	E	53.6	Low	50.2	Low	140 Å²	140	114 Å²	114	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-70.3	-31.1	177.7	-71.1	-176.3	169.3	0	0	113.3	Q963 A971	Q963-E967 PolarHBondContact O-N 3.1Å; E967-A971 PolarHBondContact O-N 2.96Å
968	L	51	Low	50.3	Low	112 Å²	112	114 Å²	114	59%	0.586	59%	0.594	S	S	*	*	H	α-helix	trans	-73.4	-34.2	175.9	-80.9	162.4	0	0	0	112.8	I964 A971 D972	I964-L968 HydrophobicContact CG2-CD1 3.79Å; I964-L968 WeakPolarHBondContact O-CB 3.43Å; I964-L968 WeakPolarHBondContact O-CD1 3.49Å; I964-L968 WeakPolarHBondContact O-CG 3.29Å; I964-L968 PolarHBondContact O-N 3.41Å; L968-A971 PolarHBondContact O-N 3.15Å; L968-D972 PolarHBondContact O-N 2.92Å
969	D	54.8	Low	50.2	Low	104 Å²	104	116.8 Å²	116.8	56%	0.556	60%	0.601	S	S	*	*	H	α-helix	trans	-72.8	-31.7	177.9	-75.3	-19.7	0	0	0	112.2	K965 F966	K965-D969 PolarHBondContact O-N 3.44Å; F966-D969 PolarHBondContact O-N 3.36Å
970	E	55.2	Low	50.2	Low	131 Å²	131	120.2 Å²	120.2	61%	0.612	61%	0.613	S	S	*	*	H	α-helix	trans	-70.7	-36.8	172	-99.3	-173.1	159.7	0	0	112.8	F966	F966-E970 PolarHBondContact O-N 2.96Å
971	A	52.7	Low	50.1	Low	55 Å²	55	125.5 Å²	125.5	46%	0.455	64%	0.643	S	S	.	*	H	α-helix	trans	-70.8	-31.3	179.2	0	0	0	0	0	113.1	E967 L968 S974 K975	E967-A971 PolarHBondContact O-N 2.96Å; L968-A971 PolarHBondContact O-N 3.15Å; A971-S974 PolarHBondContact O-N 3.23Å; A971-K975 PolarHBondContact O-N 3.2Å
972	D	52.6	Low	50.1	Low	89 Å²	89	126.3 Å²	126.3	48%	0.476	65%	0.647	S	S	.	*	H	α-helix	trans	-75.7	-27.8	-179.3	-147.6	35.1	0	0	0	112.5	L968 K976	L968-D972 PolarHBondContact O-N 2.92Å; D972-K976 PolarHBondContact O-N 2.82Å
973	N	52.3	Low	50.1	Low	117 Å²	117	128.9 Å²	128.9	63%	0.626	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-34.1	172.1	-86.5	-24	0	0	0	112.9
974	S	51.4	Low	50	Low	86 Å²	86	128.5 Å²	128.5	60%	0.601	65%	0.654	S	S	*	*	H	α-helix	trans	-71	-32.7	175.3	-75.1	0	0	0	0	113	A971 M977	A971-S974 PolarHBondContact O-N 3.23Å; S974-M977 PolarHBondContact O-N 2.95Å
975	K	47.6	Very low	49.9	Very low	150 Å²	150	130.3 Å²	130.3	65%	0.652	66%	0.662	S	S	*	*	H	α-helix	trans	-71.4	-28.2	175.7	-88.9	-178.6	175.4	176.6	0	113.8	A971 M977	A971-K975 PolarHBondContact O-N 3.2Å; K975-M977 VanDerWaalsContact C-N 3.34Å
976	K	51.3	Low	49.8	Very low	132 Å²	132	129.6 Å²	129.6	57%	0.574	67%	0.666	S	S	*	*	H	α-helix	trans	-73.2	-22.7	175.1	-77.2	179.6	179.3	165.9	0	113.8	D972	D972-K976 PolarHBondContact O-N 2.82Å
977	M	46.4	Very low	49.6	Very low	154 Å²	154	128.6 Å²	128.6	76%	0.759	67%	0.668	S	S	*	*	H	α-helix	trans	-79.5	-27.5	177	-153.3	172.8	-178	0	0	112.5	S974 K975	S974-M977 PolarHBondContact O-N 2.95Å; K975-M977 VanDerWaalsContact C-N 3.34Å
978	F	44.2	Very low	49.3	Very low	182 Å²	182	127.8 Å²	127.8	80%	0.798	67%	0.668	S	S	*	*	H	α-helix	trans	-83	-14	179.1	-121.7	-86.3	0	0	0	114.6
979	L	46.7	Very low	49.2	Very low	147 Å²	147	129 Å²	129	77%	0.77	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-2.5	175.9	-95.2	148.1	0	0	0	113.2
980	N	44.7	Very low	48.7	Very low	149 Å²	149	131.1 Å²	131.1	80%	0.797	69%	0.685	S	S	*	*			trans	-105.8	7.3	175.2	-84.1	-19.7	0	0	0	113.3
981	V	39.4	Very low	48.1	Very low	181 Å²	181	131.1 Å²	131.1	100%	1.097	69%	0.691	S	S	*	*			trans	-111.3	0	165.1	-179.8	0	0	0	0	107.1

Retrieved 981 of 981 residues in 274.8 ms (Link to these results)

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