A0A096N1K9_PAPAN Loading...

Phosphatidylinositol 3-kinase catalytic subunit type 3

Catalytic subunit of the PI3K complex that mediates formation of phosphatidylinositol 3-phosphate; different complex forms are believed to play a role in multiple membrane trafficking pathways: PI3KC3-C1 is involved in initiation of autophagosomes and PI3KC3-C2 in maturation of autophagosomes and endocytosis. As part of PI3KC3-C1, promotes endoplasmic reticulum membrane curvature formation prior to vesicle budding. Involved in regulation of degradative endocytic trafficking and required for the abscission step in cytokinesis, probably in the context of PI3KC3-C2. Involved in the transport of lysosomal enzyme precursors to lysosomes. Required for transport from early to late endosomes.

AlphaFold DB (A0A2K6CJI1), UniProt , Accession A0A096N1K9, Species PAPAN (Papio anubis, Olive baboon), Gene PIK3C3, Length 887 aa.

						>A0A096N1K9_PAPAN|A0A096N1K9|PIK3C3
MGEAEKFHYIYSCDLDINVQLKIGSLEGKREQKSYKAVLEDPMLKFSGLYQETCSDLYVTCQVFAEGKPLALPVRTSYKAFSTRWNWNEWLKLPVKYPDLPRNAQVALTIWDVYGPGKAVPVGGTTVSLFGKYGMFRQGMHDLKVWPNVEADGSEPTKTPGRTSSTLSEDQMSRLAKLTKAHRQGHMVKVDWLDRLTFREIEMINESEKRSSNFMYLMVEFRCVKCDDKEYGIVYYEKDGDESSPILTSFELVKVPDPQMSMENLVESKHHKLARSLRSGPSDHDLKPNAATRDQLNIIVSYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFLKCVNWDLPQEAKQALELLGKWKPMDVEDSLELLSSHYTNPTVRRYAVARLRQADDEDLLMYLLQLVQALKYENFDDIKNGLEPTKKDSQSSVSENLSNSGINSAEIDSSQIITSPLPPVSSPPPASKTKEVPDGENLEQDLCTFLISRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQALLKGDKSVRVMRSLLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPLPLEPQVKIRGIIPETATLFKSALMPAQLFFKTEDGGKYPVIFKHGDDLRQDQLILQIISLMDKLLRKENLDLKLTPYKVLATSTKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISAEVMDTYVKSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRDPKPLPPPMKLNKEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNLFSLMVDANIPDIALEPDKTVKKVQDKFRLDLSDEEAVHYMQSLIDESVHALFAAVVEQIHKFAQYWRK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	35.7	Very low	64	Low	246 Å²	246	122.3 Å²	122.3	100%	1.212	63%	0.627	S	S	*	*				0	105.1	0	-83.1	171.3	166.8	0	0	106.3
2	G	41.7	Very low	66	Low	80 Å²	80	112.2 Å²	112.2	83%	0.825	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-72.8	131.9	-177.9	0	0	0	0	0	110.3	A4	G2-A4 PolarHBondContact O-N 3.32Å
3	E	43.6	Very low	67.5	Low	192 Å²	192	106.2 Å²	106.2	90%	0.897	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-54.2	125.1	165.4	-73.4	-178.7	139.3	0	0	108.1	E5	E3-E5 PolarHBondContact O-N 3.29Å; E3-E5 VanDerWaalsContact O-N 3.15Å
4	A	46.6	Very low	68.9	Low	88 Å²	88	105.6 Å²	105.6	73%	0.727	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-56.7	121.1	173.9	0	0	0	0	0	108.9	G2 K6	G2-A4 PolarHBondContact O-N 3.32Å; A4-K6 PolarHBondContact O-N 2.98Å
5	E	56.8	Low	70	Confident	157 Å²	157	99.9 Å²	99.9	73%	0.734	52%	0.518	S	S	*	.			trans	-51.4	109.5	174.5	-77.2	178.8	168.7	0	0	109.2	E3 F7 H186	E3-E5 PolarHBondContact O-N 3.29Å; E3-E5 VanDerWaalsContact O-N 3.15Å; E5-F7 PolarHBondContact O-N 2.72Å; E5-H186 IonicContact OE1-CE1 3.25Å; E5-H186 IonicContact OE1-NE2 3.32Å
6	K	65.3	Low	71.1	Confident	179 Å²	179	100.6 Å²	100.6	78%	0.778	52%	0.523	S	S	*	.			trans	-75.5	109.9	175.4	-73.3	-179.7	-179.6	173.9	0	108.4	A4 H8	A4-K6 PolarHBondContact O-N 2.98Å; K6-H8 PolarHBondContact O-N 3.14Å
7	F	70.9	Confident	72.2	Confident	125 Å²	125	99.8 Å²	99.8	55%	0.548	52%	0.518	S	S	.	.			trans	-79.9	116	172.6	-178.3	-106.2	0	0	0	110.1	E5 Y9 M135	E5-F7 PolarHBondContact O-N 2.72Å; F7-Y9 AromaticContact CD1-CD1 3.93Å; F7-Y9 HydrophobicContact CD1-CD1 3.93Å; F7-Y9 HydrophobicContact CD1-CG 4.44Å; F7-Y9 HydrophobicContact CE1-CD1 4.11Å; F7-Y9 HydrophobicContact CE1-CG 4.18Å; F7-M135 HydrophobicContact CE2-CE 3.92Å; F7-M135 HydrophobicContact CZ-CE 3.52Å; F7-M135 HydrophobicContact CZ-SD 4Å
8	H	81.9	Confident	73.2	Confident	56 Å²	56	96.6 Å²	96.6	26%	0.259	50%	0.502	S	S	.	.			trans	-93.3	124.5	178	-67.3	-67.6	0	0	0	109.9	K6 Y231 G232	K6-H8 PolarHBondContact O-N 3.14Å; H8-Y231 HydrophobicContact CB-CD1 3.68Å; H8-Y231 HydrophobicContact CB-CE1 3.76Å; H8-Y231 HydrophobicContact CB-CG 4.1Å; H8-Y231 WeakPolarHBondContact O-CA 3.41Å; H8-G232 PolarHBondContact O-N 2.8Å
9	Y	84.6	Confident	74.2	Confident	110 Å²	110	91.5 Å²	91.5	43%	0.431	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158	179.7	72.1	-88.4	0	0	0	112.8	F7 Y11 G232 V234	F7-Y9 AromaticContact CD1-CD1 3.93Å; F7-Y9 HydrophobicContact CD1-CD1 3.93Å; F7-Y9 HydrophobicContact CD1-CG 4.44Å; F7-Y9 HydrophobicContact CE1-CD1 4.11Å; F7-Y9 HydrophobicContact CE1-CG 4.18Å; Y9-Y11 HydrophobicContact CD2-CD1 4.36Å; Y9-Y11 HydrophobicContact CD2-CE1 4.14Å; Y9-Y11 HydrophobicContact CE2-CD1 4.12Å; Y9-Y11 AromaticContact CE2-CE1 3.54Å; Y9-Y11 HydrophobicContact CE2-CE1 3.54Å; Y9-Y11 AromaticContact CE2-CE2 3.99Å; Y9-Y11 HydrophobicContact CE2-CE2 3.99Å; Y9-Y11 AromaticContact CE2-CZ 3.47Å; Y9-Y11 VanDerWaalsContact CE2-CZ 3.47Å; Y9-Y11 PolarHBondContact OH-OH 3.32Å; Y9-G232 CarbonylContact C-O 3.54Å; Y9-G232 WeakPolarHBondContact CA-O 3.37Å; Y9-G232 WeakPolarHBondContact CB-O 3.4Å; Y9-V234 HydrophobicContact CD2-CB 4.37Å; Y9-V234 HydrophobicContact CD2-CG2 4.11Å; Y9-V234 HydrophobicContact CG-CG2 4.18Å
10	I	89.1	Confident	75.1	Confident	39 Å²	39	90.2 Å²	90.2	20%	0.2	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.9	174.5	-57.3	168.5	0	0	0	107.3	D14 L15 V224 Y231 G232 I233 V234	I10-D14 HydrophobicContact CG2-CB 4.34Å; I10-L15 HydrophobicContact CB-CD1 4.27Å; I10-L15 HydrophobicContact CD1-CD2 4.43Å; I10-L15 HydrophobicContact CG2-CD1 3.9Å; I10-L15 HydrophobicContact CG2-CD2 3.98Å; I10-L15 HydrophobicContact CG2-CG 3.64Å; I10-V224 HydrophobicContact CD1-CG1 3.86Å; I10-Y231 HydrophobicContact CD1-CD1 3.9Å; I10-Y231 HydrophobicContact CD1-CG 3.79Å; I10-Y231 HydrophobicContact CG1-CD1 3.59Å; I10-Y231 HydrophobicContact CG1-CE1 4.41Å; I10-Y231 HydrophobicContact CG1-CG 3.95Å; I10-G232 PolarHBondContact N-O 3.45Å; I10-I233 CarbonylContact O-C 3.53Å; I10-I233 WeakPolarHBondContact O-CA 3.42Å; I10-V234 PolarHBondContact O-N 3.42Å
11	Y	88.4	Confident	75.9	Confident	73 Å²	73	86 Å²	86	29%	0.286	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.6	176.6	-68.2	-53	0	0	0	111.9	Y9 C13 D14 V234 Y236	Y9-Y11 HydrophobicContact CD2-CD1 4.36Å; Y9-Y11 HydrophobicContact CD2-CE1 4.14Å; Y9-Y11 HydrophobicContact CE2-CD1 4.12Å; Y9-Y11 AromaticContact CE2-CE1 3.54Å; Y9-Y11 HydrophobicContact CE2-CE1 3.54Å; Y9-Y11 AromaticContact CE2-CE2 3.99Å; Y9-Y11 HydrophobicContact CE2-CE2 3.99Å; Y9-Y11 AromaticContact CE2-CZ 3.47Å; Y9-Y11 VanDerWaalsContact CE2-CZ 3.47Å; Y9-Y11 PolarHBondContact OH-OH 3.32Å; Y11-C13 PolarHBondContact O-N 3.38Å; Y11-D14 PolarHBondContact O-N 3.17Å; Y11-D14 VanDerWaalsContact O-N 3.09Å; Y11-V234 CarbonylContact C-O 3.53Å; Y11-V234 WeakPolarHBondContact CA-O 3.45Å; Y11-V234 HydrophobicContact CD1-CB 4.34Å; Y11-V234 HydrophobicContact CD1-CG1 4.46Å; Y11-V234 HydrophobicContact CE1-CG1 4.49Å; Y11-Y236 HydrophobicContact CD1-CD1 4.25Å; Y11-Y236 HydrophobicContact CD1-CD2 4.46Å; Y11-Y236 AromaticContact CD1-CG 3.77Å; Y11-Y236 HydrophobicContact CD1-CG 3.77Å; Y11-Y236 HydrophobicContact CD2-CD1 4.2Å; Y11-Y236 HydrophobicContact CD2-CG 4.49Å; Y11-Y236 HydrophobicContact CE1-CD2 4.28Å; Y11-Y236 HydrophobicContact CE1-CG 4.01Å; Y11-Y236 HydrophobicContact CG-CD1 4.02Å; Y11-Y236 HydrophobicContact CG-CG 4.02Å
12	S	87.5	Confident	78.7	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.007	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-58.1	-36.5	178.4	53.2	0	0	0	0	112.6	D14 L15 Y97 P98 V234 Y235 Y236	S12-D14 VanDerWaalsContact C-N 3.27Å; S12-D14 PolarHBondContact O-N 3.43Å; S12-L15 PolarHBondContact O-N 3.2Å; S12-Y97 CarbonylContact O-C 3.6Å; S12-P98 WeakPolarHBondContact O-CA 3.29Å; S12-V234 PolarHBondContact N-O 3.27Å; S12-Y235 WeakPolarHBondContact OG-CA 3.48Å; S12-Y236 PolarHBondContact OG-N 2.9Å; S12-Y236 PolarHBondContact OG-O 2.89Å
13	C	86	Confident	81.3	Confident	35 Å²	35	71.9 Å²	71.9	24%	0.236	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.6	177.2	63.6	0	0	0	0	114.3	Y11 Y236	Y11-C13 PolarHBondContact O-N 3.38Å; C13-Y236 WeakPolarHBondContact CB-O 3.47Å
14	D	86.4	Confident	83.5	Confident	98 Å²	98	62.8 Å²	62.8	52%	0.524	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.3	-3.4	-175.7	-62.3	-24.2	0	0	0	112.4	I10 Y11 S12	I10-D14 HydrophobicContact CG2-CB 4.34Å; Y11-D14 PolarHBondContact O-N 3.17Å; Y11-D14 VanDerWaalsContact O-N 3.09Å; S12-D14 VanDerWaalsContact C-N 3.27Å; S12-D14 PolarHBondContact O-N 3.43Å
15	L	86.3	Confident	85.6	Confident	20 Å²	20	59.6 Å²	59.6	11%	0.105	28%	0.284	C	S	.	.			trans	-105.3	83.6	-176.4	-75.7	168.7	0	0	0	112	I10 S12 I17 Y97 P98 I233	I10-L15 HydrophobicContact CB-CD1 4.27Å; I10-L15 HydrophobicContact CD1-CD2 4.43Å; I10-L15 HydrophobicContact CG2-CD1 3.9Å; I10-L15 HydrophobicContact CG2-CD2 3.98Å; I10-L15 HydrophobicContact CG2-CG 3.64Å; S12-L15 PolarHBondContact O-N 3.2Å; L15-I17 HydrophobicContact CB-CG1 4.47Å; L15-I17 PolarHBondContact O-N 2.97Å; L15-Y97 HydrophobicContact CB-CD2 4.33Å; L15-Y97 HydrophobicContact CB-CG 4.35Å; L15-P98 VanDerWaalsContact O-CD 3.25Å; L15-P98 WeakPolarHBondContact O-CD 3.29Å; L15-I233 HydrophobicContact CD1-CB 4.32Å; L15-I233 HydrophobicContact CD1-CD1 3.83Å; L15-I233 HydrophobicContact CD1-CG1 3.68Å; L15-I233 HydrophobicContact CD1-CG2 3.82Å
16	D	87.3	Confident	87.1	Confident	111 Å²	111	52.4 Å²	52.4	59%	0.594	25%	0.251	S	S	*	.			trans	-75.4	56.7	178.9	-168.1	31.8	0	0	0	113.8	K96	D16-K96 VanDerWaalsContact OD1-CD 3.29Å; D16-K96 WeakPolarHBondContact OD1-CD 3.26Å; D16-K96 WeakPolarHBondContact OD1-CE 3.48Å; D16-K96 IonicContact OD1-NZ 2.87Å; D16-K96 PolarHBondContact OD1-NZ 3.38Å; D16-K96 IonicContact OD2-NZ 2.7Å
17	I	88.9	Confident	88.1	Confident	87 Å²	87	46.4 Å²	46.4	45%	0.446	23%	0.226	S	C	.	.	S	Bend	trans	-133.1	152.4	178	61.1	174.8	0	0	0	110.2	L15 K96 Y97	L15-I17 HydrophobicContact CB-CG1 4.47Å; L15-I17 PolarHBondContact O-N 2.97Å; I17-K96 WeakPolarHBondContact O-CA 3.39Å; I17-Y97 HydrophobicContact CD1-CD2 4.2Å; I17-Y97 HydrophobicContact CD1-CE2 3.87Å; I17-Y97 HydrophobicContact CG1-CD2 3.54Å; I17-Y97 HydrophobicContact CG1-CE2 3.63Å; I17-Y97 VanDerWaalsContact O-CD2 3.23Å; I17-Y97 WeakPolarHBondContact O-CD2 3.38Å; I17-Y97 PolarHBondContact O-N 3.06Å
18	N	90.4	Very high	88.4	Confident	41 Å²	41	41.5 Å²	41.5	22%	0.219	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	146	175.8	-73.7	28.3	0	0	0	111.5	Q20 K92 L93 V95 K96	N18-Q20 PolarHBondContact O-N 3.43Å; N18-K92 HydrophobicContact CB-CD 4.38Å; N18-K92 HydrophobicContact CB-CG 3.85Å; N18-K92 VanDerWaalsContact ND2-CE 3.29Å; N18-K92 WeakPolarHBondContact ND2-CE 3.29Å; N18-L93 WeakPolarHBondContact CB-O 3.21Å; N18-L93 PolarHBondContact ND2-O 2.97Å; N18-V95 WeakPolarHBondContact CA-O 3.3Å; N18-K96 WeakPolarHBondContact OD1-CG 3.42Å
19	V	91.7	Very high	88	Confident	1 Å²	1	46 Å²	46	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.4	172.1	-176.3	0	0	0	0	109.1	L93 V95 Y97 L100 F136	V19-L93 HydrophobicContact CB-CB 4.42Å; V19-L93 HydrophobicContact CB-CD1 4.23Å; V19-L93 HydrophobicContact CG1-CD1 3.98Å; V19-L93 PolarHBondContact O-N 3.02Å; V19-V95 HydrophobicContact CB-CG1 4.23Å; V19-V95 HydrophobicContact CG2-CG1 4.06Å; V19-V95 WeakPolarHBondContact CG2-O 3.35Å; V19-V95 PolarHBondContact N-O 3.5Å; V19-Y97 HydrophobicContact CG2-CD1 4.19Å; V19-Y97 HydrophobicContact CG2-CD2 4.42Å; V19-Y97 HydrophobicContact CG2-CE1 4.23Å; V19-Y97 HydrophobicContact CG2-CE2 4.44Å; V19-Y97 HydrophobicContact CG2-CG 4.29Å; V19-L100 HydrophobicContact CG2-CD1 3.56Å; V19-L100 HydrophobicContact CG2-CD2 4.41Å; V19-L100 HydrophobicContact CG2-CG 4.05Å; V19-F136 HydrophobicContact CG1-CE2 4.42Å; V19-F136 HydrophobicContact CG1-CZ 3.97Å
20	Q	92.2	Very high	87.5	Confident	65 Å²	65	43.6 Å²	43.6	30%	0.304	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.2	178.9	-68.9	-178.3	-12.9	0	0	110.2	N18 W90 L91 K92	N18-Q20 PolarHBondContact O-N 3.43Å; Q20-W90 HydrophobicContact CB-CE3 4.02Å; Q20-W90 HydrophobicContact CB-CZ3 4.3Å; Q20-L91 WeakPolarHBondContact CA-O 3.5Å; Q20-K92 HydrophobicContact CG-CB 4.42Å; Q20-K92 HydrophobicContact CG-CG 4.41Å
21	L	93.4	Very high	86.6	Confident	2 Å²	2	50 Å²	50	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.1	176.4	54.8	96.4	0	0	0	109.8	I23 C61 L91 L93 V106 V219 E220	L21-I23 HydrophobicContact CD1-CD1 3.53Å; L21-I23 HydrophobicContact CD1-CG1 4.25Å; L21-C61 HydrophobicContact CD1-CB 4.39Å; L21-C61 WeakPolarHBondContact CD2-SG 3.38Å; L21-L91 HydrophobicContact CD1-CB 4.06Å; L21-L91 HydrophobicContact CD1-CD1 4.13Å; L21-L91 HydrophobicContact CD1-CG 4.43Å; L21-L91 HydrophobicContact CG-CB 4.46Å; L21-L91 PolarHBondContact N-O 3.12Å; L21-L91 VanDerWaalsContact N-O 3.08Å; L21-L91 PolarHBondContact O-N 2.85Å; L21-L93 HydrophobicContact CD2-CD1 3.38Å; L21-L93 HydrophobicContact CD2-CD2 4.13Å; L21-L93 HydrophobicContact CD2-CG 3.88Å; L21-L93 HydrophobicContact CG-CD1 4.41Å; L21-L93 HydrophobicContact CG-CG 4.47Å; L21-V106 HydrophobicContact CD2-CG2 4.07Å; L21-V219 HydrophobicContact CB-CG1 4.36Å; L21-E220 WeakPolarHBondContact CA-O 3.32Å
22	K	94.4	Very high	85.8	Confident	30 Å²	30	52.8 Å²	52.8	13%	0.13	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.8	179.2	-155.8	-172	178.1	-171.1	0	110	N88 E89 W90 V219 E220	K22-N88 WeakPolarHBondContact CE-OD1 3.47Å; K22-N88 PolarHBondContact NZ-OD1 3.26Å; K22-E89 CarbonylContact C-O 3.57Å; K22-E89 VanDerWaalsContact CA-O 3.24Å; K22-E89 WeakPolarHBondContact CA-O 3.32Å; K22-E89 WeakPolarHBondContact CG-O 3.29Å; K22-W90 HydrophobicContact CB-CD2 3.73Å; K22-W90 HydrophobicContact CB-CE3 3.82Å; K22-W90 HydrophobicContact CB-CG 4.28Å; K22-W90 HydrophobicContact CB-CH2 4.08Å; K22-W90 HydrophobicContact CB-CZ2 4.02Å; K22-W90 HydrophobicContact CB-CZ3 4Å; K22-W90 HydrophobicContact CD-CD2 4.29Å; K22-W90 HydrophobicContact CD-CZ2 3.92Å; K22-W90 HydrophobicContact CG-CD2 3.86Å; K22-W90 HydrophobicContact CG-CE3 4.46Å; K22-W90 HydrophobicContact CG-CG 3.97Å; K22-W90 HydrophobicContact CG-CZ2 4.32Å; K22-V219 WeakPolarHBondContact O-CA 3.46Å; K22-E220 HydrophobicContact CB-CB 3.67Å; K22-E220 HydrophobicContact CD-CB 4.14Å; K22-E220 WeakPolarHBondContact CD-OE2 3.34Å; K22-E220 PolarHBondContact N-O 3.15Å; K22-E220 IonicContact NZ-OE2 3.96Å; K22-E220 PolarHBondContact NZ-OE2 3.12Å; K22-E220 PolarHBondContact O-N 3.22Å
23	I	94.9	Very high	85	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.6	170.8	-53	-54.6	0	0	0	108.3	L21 V59 T76 W87 N88 E89 L91 L108 L217 V219	L21-I23 HydrophobicContact CD1-CD1 3.53Å; L21-I23 HydrophobicContact CD1-CG1 4.25Å; I23-V59 HydrophobicContact CD1-CG1 4.47Å; I23-V59 HydrophobicContact CG2-CB 4.32Å; I23-V59 HydrophobicContact CG2-CG2 3.99Å; I23-T76 HydrophobicContact CB-CG2 4.11Å; I23-T76 HydrophobicContact CG1-CG2 3.91Å; I23-T76 HydrophobicContact CG2-CG2 4.23Å; I23-W87 HydrophobicContact CB-CB 4.36Å; I23-W87 HydrophobicContact CG2-CB 4.16Å; I23-W87 HydrophobicContact CG2-CD2 4.08Å; I23-W87 HydrophobicContact CG2-CE3 3.95Å; I23-W87 HydrophobicContact CG2-CG 4.19Å; I23-N88 VanDerWaalsContact O-CA 3.28Å; I23-N88 WeakPolarHBondContact O-CA 3.38Å; I23-N88 PolarHBondContact O-N 3.44Å; I23-E89 PolarHBondContact N-O 3.4Å; I23-E89 PolarHBondContact O-N 2.96Å; I23-E89 VanDerWaalsContact O-N 3.09Å; I23-L91 HydrophobicContact CD1-CD1 4.17Å; I23-L91 HydrophobicContact CG1-CD1 3.59Å; I23-L91 HydrophobicContact CG1-CG 4.03Å; I23-L108 HydrophobicContact CD1-CD2 3.47Å; I23-L108 VanDerWaalsContact CD1-CD2 3.47Å; I23-L217 HydrophobicContact CG2-CD1 4.18Å; I23-V219 HydrophobicContact CD1-CG2 4.48Å
24	G	90.5	Very high	84.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-127	-173.4	0	0	0	0	0	114	W87 M218	G24-W87 PolarHBondContact O-N 2.76Å; G24-M218 VanDerWaalsContact CA-CE 3.44Å; G24-M218 WeakPolarHBondContact CA-O 3.45Å; G24-M218 PolarHBondContact N-O 3.38Å
25	S	90.3	Very high	83.7	Confident	22 Å²	22	63 Å²	63	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	152.6	173.5	52.6	0	0	0	0	112.2	E27 W85 M218	S25-E27 PolarHBondContact OG-OE1 3.11Å; S25-W85 CarbonylContact C-O 3.5Å; S25-W85 WeakPolarHBondContact CA-O 3.42Å; S25-M218 PolarHBondContact O-N 3.28Å
26	L	89.3	Confident	83.2	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.2	164.9	174.5	71.4	0	0	0	108.1	L57 W85 W87 I110 V145 M215 Y216 L217	L26-L57 HydrophobicContact CD2-CD1 3.87Å; L26-W85 HydrophobicContact CB-CB 3.84Å; L26-W85 HydrophobicContact CB-CE3 4.41Å; L26-W85 HydrophobicContact CD2-CD2 4.21Å; L26-W85 HydrophobicContact CD2-CE3 4.03Å; L26-W85 HydrophobicContact CD2-CG 4.43Å; L26-W85 HydrophobicContact CG-CE3 4.12Å; L26-W85 PolarHBondContact N-O 3.5Å; L26-W87 HydrophobicContact CB-CH2 4.19Å; L26-W87 HydrophobicContact CB-CZ3 3.71Å; L26-W87 HydrophobicContact CD2-CH2 4.26Å; L26-I110 HydrophobicContact CD1-CD1 3.67Å; L26-I110 HydrophobicContact CD2-CD1 4.02Å; L26-I110 HydrophobicContact CD2-CG2 4.23Å; L26-I110 HydrophobicContact CG-CD1 4.49Å; L26-V145 HydrophobicContact CD1-CG2 4.25Å; L26-M215 HydrophobicContact CD1-CB 4.06Å; L26-Y216 WeakPolarHBondContact CA-O 3.32Å; L26-L217 HydrophobicContact CB-CD1 4.23Å; L26-L217 HydrophobicContact CD1-CB 4.27Å; L26-L217 HydrophobicContact CD1-CD1 4.39Å
27	E	85.3	Confident	82.5	Confident	53 Å²	53	64.6 Å²	64.6	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138	-175.9	-74.8	158.8	-151.8	0	0	110	S25 K209 M215 Y216	S25-E27 PolarHBondContact OG-OE1 3.11Å; E27-K209 HydrophobicContact CB-CD 4.17Å; E27-K209 WeakPolarHBondContact OE2-CD 3.41Å; E27-K209 IonicContact OE2-NZ 2.7Å; E27-K209 PolarHBondContact OE2-NZ 3.06Å; E27-M215 CarbonylContact O-C 3.55Å; E27-M215 WeakPolarHBondContact O-CA 3.49Å; E27-Y216 PolarHBondContact N-O 2.97Å; E27-Y216 PolarHBondContact O-N 2.93Å
28	G	78.6	Confident	81.6	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	29%	0.292	C	S	.	.	S	Bend	trans	141.5	175.3	178.8	0	0	0	0	0	112.6
29	K	72.8	Confident	80.8	Confident	152 Å²	152	64.1 Å²	64.1	66%	0.661	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-96.3	134.3	177.8	-68.8	-179.3	-178	173.1	0	110.6	R210	K29-R210 WeakPolarHBondContact CE-O 3.28Å
30	R	74.9	Confident	80.2	Confident	58 Å²	58	70.8 Å²	70.8	22%	0.219	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-100.8	120.8	171.5	-167.4	178.7	177	-158.9	-3.6	108.4	L49 S55 D112 M215	R30-L49 HydrophobicContact CG-CD2 3.72Å; R30-L49 VanDerWaalsContact NE-CD2 3.35Å; R30-S55 PolarHBondContact NH1-OG 3.16Å; R30-S55 VanDerWaalsContact NH1-OG 3.11Å; R30-D112 IonicContact CZ-OD2 2.61Å; R30-D112 VanDerWaalsContact CZ-OD2 3.24Å; R30-D112 IonicContact NH1-OD2 2.85Å; R30-D112 PolarHBondContact NH1-OD2 2.92Å; R30-D112 IonicContact NH2-OD2 3.45Å; R30-D112 PolarHBondContact NH2-OD2 3.48Å; R30-M215 HydrophobicContact CB-SD 4.49Å
31	E	69.7	Low	79.4	Confident	174 Å²	174	70.1 Å²	70.1	81%	0.813	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-71.5	129.8	-178	-167.3	177.7	-178.9	0	0	111
32	Q	70.1	Confident	78.5	Confident	131 Å²	131	73.5 Å²	73.5	61%	0.612	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-77.7	132.3	173.8	-75.8	-179.1	-21.2	0	0	110	L49	Q32-L49 PolarHBondContact NE2-O 2.94Å
33	K	72.3	Confident	77.4	Confident	103 Å²	103	76.8 Å²	76.8	45%	0.448	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-69.3	153.3	178.3	-65.5	-170.4	178.9	-178.3	0	110.9	A37 L44 Y50	K33-A37 HydrophobicContact CB-CB 4.18Å; K33-L44 HydrophobicContact CD-CD2 3.97Å; K33-Y50 PolarHBondContact O-OH 3.35Å; K33-Y50 VanDerWaalsContact O-OH 3.06Å
34	S	72.5	Confident	76.2	Confident	77 Å²	77	77.3 Å²	77.3	54%	0.538	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.2	155.2	-178.4	72.7	0	0	0	0	112.3	K36 A37 V38	S34-K36 PolarHBondContact O-N 3.3Å; S34-K36 VanDerWaalsContact O-N 3.09Å; S34-A37 WeakPolarHBondContact O-CB 3.42Å; S34-A37 PolarHBondContact O-N 3.47Å; S34-V38 PolarHBondContact O-N 3.29Å
35	Y	71.4	Confident	75	Confident	169 Å²	169	83 Å²	83	66%	0.663	41%	0.405	S	S	*	.	H	α-helix	trans	-55.1	-30.4	177.6	-173.2	-103.1	0	0	0	113.1	V38 L39	Y35-V38 WeakPolarHBondContact O-CB 3.42Å; Y35-V38 PolarHBondContact O-N 3.43Å; Y35-L39 HydrophobicContact CD1-CD1 3.99Å; Y35-L39 HydrophobicContact CD1-CG 4.31Å; Y35-L39 HydrophobicContact CE1-CD1 3.79Å; Y35-L39 HydrophobicContact CE1-CD2 4.19Å; Y35-L39 HydrophobicContact CE1-CG 4.02Å; Y35-L39 PolarHBondContact O-N 3.48Å
36	K	76.1	Confident	73.7	Confident	141 Å²	141	88.7 Å²	88.7	61%	0.613	43%	0.427	S	S	*	.	H	α-helix	trans	-62.3	-41.7	175.5	-169.5	-177.4	175	-174.2	0	112.3	S34 V38 L39 E40	S34-K36 PolarHBondContact O-N 3.3Å; S34-K36 VanDerWaalsContact O-N 3.09Å; K36-V38 VanDerWaalsContact C-N 3.27Å; K36-V38 PolarHBondContact O-N 2.95Å; K36-L39 WeakPolarHBondContact O-CB 3.29Å; K36-L39 PolarHBondContact O-N 3.41Å; K36-E40 WeakPolarHBondContact CE-OE1 2.89Å; K36-E40 PolarHBondContact O-N 2.96Å
37	A	72.4	Confident	72.8	Confident	23 Å²	23	88.5 Å²	88.5	19%	0.19	43%	0.427	C	S	.	.	H	α-helix	trans	-65.4	-32.8	177.5	0	0	0	0	0	112	K33 S34 L39 E40 D41 L44	K33-A37 HydrophobicContact CB-CB 4.18Å; S34-A37 WeakPolarHBondContact O-CB 3.42Å; S34-A37 PolarHBondContact O-N 3.47Å; A37-L39 VanDerWaalsContact C-N 3.32Å; A37-E40 PolarHBondContact O-N 3.16Å; A37-D41 PolarHBondContact O-N 3.48Å; A37-L44 HydrophobicContact CB-CD1 4.14Å; A37-L44 WeakPolarHBondContact O-CD1 3.42Å
38	V	70.9	Confident	71.8	Confident	8 Å²	8	86.5 Å²	86.5	5%	0.048	42%	0.42	C	S	.	.	H	α-helix	trans	-70.3	-27.9	175.8	-179	0	0	0	0	112.6	S34 Y35 K36 D41 L44 K45 Y50	S34-V38 PolarHBondContact O-N 3.29Å; Y35-V38 WeakPolarHBondContact O-CB 3.42Å; Y35-V38 PolarHBondContact O-N 3.43Å; K36-V38 VanDerWaalsContact C-N 3.27Å; K36-V38 PolarHBondContact O-N 2.95Å; V38-D41 CarbonylContact O-C 3.59Å; V38-L44 HydrophobicContact CG2-CB 4.25Å; V38-K45 HydrophobicContact CG1-CD 4.08Å; V38-K45 VanDerWaalsContact CG1-CE 3.44Å; V38-K45 HydrophobicContact CG1-CG 3.43Å; V38-K45 VanDerWaalsContact CG1-CG 3.43Å; V38-Y50 HydrophobicContact CG2-CE1 3.97Å; V38-Y50 HydrophobicContact CG2-CE2 4.13Å; V38-Y50 VanDerWaalsContact CG2-CZ 3.46Å; V38-Y50 WeakPolarHBondContact CG2-OH 3.2Å
39	L	72.8	Confident	71.2	Confident	110 Å²	110	86.3 Å²	86.3	58%	0.576	41%	0.414	S	S	*	.	H	α-helix	trans	-74.1	-36.3	173.2	-69.3	171	0	0	0	111.8	Y35 K36 A37	Y35-L39 HydrophobicContact CD1-CD1 3.99Å; Y35-L39 HydrophobicContact CD1-CG 4.31Å; Y35-L39 HydrophobicContact CE1-CD1 3.79Å; Y35-L39 HydrophobicContact CE1-CD2 4.19Å; Y35-L39 HydrophobicContact CE1-CG 4.02Å; Y35-L39 PolarHBondContact O-N 3.48Å; K36-L39 WeakPolarHBondContact O-CB 3.29Å; K36-L39 PolarHBondContact O-N 3.41Å; A37-L39 VanDerWaalsContact C-N 3.32Å
40	E	79	Confident	70.9	Confident	141 Å²	141	82.8 Å²	82.8	66%	0.659	40%	0.397	S	S	*	.	H	α-helix	trans	-73.6	-37.1	177.8	-70.2	171.1	-172.9	0	0	112.1	K36 A37	K36-E40 WeakPolarHBondContact CE-OE1 2.89Å; K36-E40 PolarHBondContact O-N 2.96Å; A37-E40 PolarHBondContact O-N 3.16Å
41	D	75.1	Confident	70.5	Confident	51 Å²	51	84.8 Å²	84.8	27%	0.273	41%	0.409	S	S	.	.			trans	-128.4	95.7	172.2	-171.7	-11.1	0	0	0	111.4	A37 V38 M43 L44 Y114	A37-D41 PolarHBondContact O-N 3.48Å; V38-D41 CarbonylContact O-C 3.59Å; D41-M43 PolarHBondContact O-N 2.88Å; D41-M43 VanDerWaalsContact O-N 3.1Å; D41-M43 VanDerWaalsContact OD1-CB 3.3Å; D41-M43 WeakPolarHBondContact OD1-CB 3.42Å; D41-M43 PolarHBondContact OD1-N 3.39Å; D41-L44 HydrophobicContact CB-CD1 3.98Å; D41-L44 HydrophobicContact CB-CG 4.38Å; D41-L44 VanDerWaalsContact O-CB 3.31Å; D41-L44 WeakPolarHBondContact O-CB 3.42Å; D41-L44 PolarHBondContact O-N 3.35Å; D41-Y114 PolarHBondContact OD1-OH 3.1Å; D41-Y114 PolarHBondContact OD2-OH 2.72Å
42	P	75.1	Confident	69.8	Low	74 Å²	74	86.5 Å²	86.5	48%	0.481	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-60.1	-19.6	179.1	-25.9	35.1	0	0	0	114.6	L44 K45	P42-L44 PolarHBondContact O-N 3.16Å; P42-K45 PolarHBondContact O-N 3.25Å
43	M	70.6	Confident	69.5	Low	99 Å²	99	84 Å²	84	49%	0.488	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-71	-18.7	177.1	-64.1	-73.7	94.1	0	0	112.6	D41 K45 F46 Y114	D41-M43 PolarHBondContact O-N 2.88Å; D41-M43 VanDerWaalsContact O-N 3.1Å; D41-M43 VanDerWaalsContact OD1-CB 3.3Å; D41-M43 WeakPolarHBondContact OD1-CB 3.42Å; D41-M43 PolarHBondContact OD1-N 3.39Å; M43-K45 PolarHBondContact O-N 3.1Å; M43-K45 VanDerWaalsContact O-N 3.13Å; M43-F46 HydrophobicContact CE-CD2 3.73Å; M43-F46 HydrophobicContact CE-CE2 3.57Å; M43-F46 PolarHBondContact O-N 3.44Å; M43-F46 HydrophobicContact SD-CD2 4.36Å; M43-Y114 HydrophobicContact CB-CE1 3.88Å
44	L	70.1	Confident	69.5	Low	11 Å²	11	80.3 Å²	80.3	6%	0.058	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-56	-31.2	173.6	-85.8	157.8	0	0	0	111.9	K33 A37 V38 D41 P42 F46 S47 Y50 Y114	K33-L44 HydrophobicContact CD-CD2 3.97Å; A37-L44 HydrophobicContact CB-CD1 4.14Å; A37-L44 WeakPolarHBondContact O-CD1 3.42Å; V38-L44 HydrophobicContact CG2-CB 4.25Å; D41-L44 HydrophobicContact CB-CD1 3.98Å; D41-L44 HydrophobicContact CB-CG 4.38Å; D41-L44 VanDerWaalsContact O-CB 3.31Å; D41-L44 WeakPolarHBondContact O-CB 3.42Å; D41-L44 PolarHBondContact O-N 3.35Å; P42-L44 PolarHBondContact O-N 3.16Å; L44-F46 PolarHBondContact O-N 3.31Å; L44-S47 WeakPolarHBondContact O-CB 3.49Å; L44-S47 PolarHBondContact O-N 2.59Å; L44-S47 VanDerWaalsContact O-N 3.11Å; L44-Y50 HydrophobicContact CB-CE2 4.14Å; L44-Y50 WeakPolarHBondContact O-CD2 3.5Å; L44-Y50 VanDerWaalsContact O-CE2 3.29Å; L44-Y50 WeakPolarHBondContact O-CE2 3.45Å; L44-Y114 HydrophobicContact CD2-CE2 3.98Å; L44-Y114 HydrophobicContact CG-CE2 4.15Å; L44-Y114 WeakPolarHBondContact CG-OH 3.37Å; L44-Y114 PolarHBondContact N-OH 3.13Å
45	K	66.1	Low	69.7	Low	119 Å²	119	76.9 Å²	76.9	52%	0.517	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-61	-25.3	177.6	-64.2	-172.6	179.6	-179.3	0	113.4	V38 P42 M43	V38-K45 HydrophobicContact CG1-CD 4.08Å; V38-K45 VanDerWaalsContact CG1-CE 3.44Å; V38-K45 HydrophobicContact CG1-CG 3.43Å; V38-K45 VanDerWaalsContact CG1-CG 3.43Å; P42-K45 PolarHBondContact O-N 3.25Å; M43-K45 PolarHBondContact O-N 3.1Å; M43-K45 VanDerWaalsContact O-N 3.13Å
46	F	63.8	Low	70.2	Confident	142 Å²	142	71.3 Å²	71.3	62%	0.623	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-95.3	-10.1	-179.9	-58.8	-76.5	0	0	0	112.9	M43 L44 Q51	M43-F46 HydrophobicContact CE-CD2 3.73Å; M43-F46 HydrophobicContact CE-CE2 3.57Å; M43-F46 PolarHBondContact O-N 3.44Å; M43-F46 HydrophobicContact SD-CD2 4.36Å; L44-F46 PolarHBondContact O-N 3.31Å; F46-Q51 PolarHBondContact O-NE2 3.45Å; F46-Q51 VanDerWaalsContact O-NE2 3.09Å
47	S	69.2	Low	70.8	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.014	33%	0.327	C	S	.	.	S	Bend	trans	-62.4	145.4	168.2	169	0	0	0	0	109.7	L44 L49 Y50 D112	L44-S47 WeakPolarHBondContact O-CB 3.49Å; L44-S47 PolarHBondContact O-N 2.59Å; L44-S47 VanDerWaalsContact O-N 3.11Å; S47-L49 PolarHBondContact O-N 3.35Å; S47-L49 PolarHBondContact OG-N 3.47Å; S47-Y50 PolarHBondContact O-N 2.98Å; S47-Y50 VanDerWaalsContact O-N 3.13Å; S47-D112 PolarHBondContact OG-OD2 2.94Å
48	G	63.8	Low	71.7	Confident	11 Å²	11	66.4 Å²	66.4	11%	0.113	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	4.2	175.9	0	0	0	0	0	115	Y50 S55	G48-Y50 VanDerWaalsContact C-N 3.35Å; G48-S55 WeakPolarHBondContact CA-OG 3.48Å; G48-S55 PolarHBondContact O-OG 2.94Å
49	L	66.6	Low	72.8	Confident	16 Å²	16	66 Å²	66	8%	0.084	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.2	168.4	-76.9	170.4	0	0	0	113.8	R30 Q32 S47	R30-L49 HydrophobicContact CG-CD2 3.72Å; R30-L49 VanDerWaalsContact NE-CD2 3.35Å; Q32-L49 PolarHBondContact NE2-O 2.94Å; S47-L49 PolarHBondContact O-N 3.35Å; S47-L49 PolarHBondContact OG-N 3.47Å
50	Y	66.2	Low	73.9	Confident	78 Å²	78	62 Å²	62	31%	0.306	31%	0.307	S	S	.	.	S	Bend	trans	-116.9	6.1	-174.4	-59.6	-87.7	0	0	0	113.3	K33 V38 L44 S47 G48	K33-Y50 PolarHBondContact O-OH 3.35Å; K33-Y50 VanDerWaalsContact O-OH 3.06Å; V38-Y50 HydrophobicContact CG2-CE1 3.97Å; V38-Y50 HydrophobicContact CG2-CE2 4.13Å; V38-Y50 VanDerWaalsContact CG2-CZ 3.46Å; V38-Y50 WeakPolarHBondContact CG2-OH 3.2Å; L44-Y50 HydrophobicContact CB-CE2 4.14Å; L44-Y50 WeakPolarHBondContact O-CD2 3.5Å; L44-Y50 VanDerWaalsContact O-CE2 3.29Å; L44-Y50 WeakPolarHBondContact O-CE2 3.45Å; S47-Y50 PolarHBondContact O-N 2.98Å; S47-Y50 VanDerWaalsContact O-N 3.13Å; G48-Y50 VanDerWaalsContact C-N 3.35Å
51	Q	65.9	Low	74.6	Confident	100 Å²	100	55.3 Å²	55.3	47%	0.467	28%	0.275	S	S	.	.	S	Bend	trans	-91.7	152.6	175	-62.4	179.9	2.6	0	0	110.2	F46 T53	F46-Q51 PolarHBondContact O-NE2 3.45Å; F46-Q51 VanDerWaalsContact O-NE2 3.09Å; Q51-T53 PolarHBondContact O-N 3.01Å
52	E	56.5	Low	75.6	Confident	210 Å²	210	55.1 Å²	55.1	98%	0.981	27%	0.273	S	S	*	.	S	Bend	trans	-70.2	-17.7	176.7	-68.4	-174.6	166.1	0	0	112.9
53	T	64.2	Low	76.4	Confident	78 Å²	78	51.7 Å²	51.7	48%	0.479	25%	0.25	S	S	.	.	S	Bend	trans	-98.1	157.6	179.4	50.6	0	0	0	0	112.4	Q51	Q51-T53 PolarHBondContact O-N 3.01Å
54	C	71.9	Confident	77.5	Confident	27 Å²	27	48.1 Å²	48.1	18%	0.182	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-56.4	139.6	172.8	-72.6	0	0	0	0	111.5	F81	C54-F81 HydrophobicContact CB-CB 3.64Å
55	S	75.6	Confident	78.5	Confident	4 Å²	4	48 Å²	48	3%	0.028	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-61.7	142	177.2	-36.8	0	0	0	0	111.3	R30 G48 L57 W85	R30-S55 PolarHBondContact NH1-OG 3.16Å; R30-S55 VanDerWaalsContact NH1-OG 3.11Å; G48-S55 WeakPolarHBondContact CA-OG 3.48Å; G48-S55 PolarHBondContact O-OG 2.94Å; S55-L57 PolarHBondContact O-N 3.05Å; S55-L57 VanDerWaalsContact O-N 3.14Å; S55-W85 PolarHBondContact O-NE1 3.47Å
56	D	82	Confident	79.3	Confident	53 Å²	53	49.5 Å²	49.5	28%	0.283	24%	0.242	S	C	.	.			trans	-74.3	98.6	172.9	-80.6	-6.1	0	0	0	110.1	Y78	D56-Y78 HydrophobicContact CB-CE2 4.23Å; D56-Y78 WeakPolarHBondContact OD2-CE2 3.37Å; D56-Y78 PolarHBondContact OD2-OH 3.39Å
57	L	88.6	Confident	80.1	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.3	-177.4	-57.4	-176.1	0	0	0	111.7	L26 S55 F81 W85 W87 I110 W111 D112 V122	L26-L57 HydrophobicContact CD2-CD1 3.87Å; S55-L57 PolarHBondContact O-N 3.05Å; S55-L57 VanDerWaalsContact O-N 3.14Å; L57-F81 WeakPolarHBondContact O-CE2 3.4Å; L57-W85 HydrophobicContact CD1-CD2 4.09Å; L57-W85 HydrophobicContact CD1-CG 4.2Å; L57-W85 HydrophobicContact CD1-CZ2 4.15Å; L57-W87 HydrophobicContact CB-CH2 4.12Å; L57-W87 HydrophobicContact CB-CZ2 3.77Å; L57-W87 WeakPolarHBondContact O-CZ2 3.36Å; L57-W87 PolarHBondContact O-NE1 2.88Å; L57-I110 HydrophobicContact CB-CG2 4.26Å; L57-I110 HydrophobicContact CD1-CG2 3.99Å; L57-W111 VanDerWaalsContact CA-O 3.32Å; L57-W111 WeakPolarHBondContact CA-O 3.36Å; L57-W111 WeakPolarHBondContact CD2-O 3.47Å; L57-D112 HydrophobicContact CD2-CB 3.84Å; L57-V122 HydrophobicContact CD2-CG2 3.89Å
58	Y	91.7	Very high	80.9	Confident	55 Å²	55	50.6 Å²	50.6	22%	0.216	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.8	166.3	70.2	-89.2	0	0	0	111.2	T60 R75 W111 V113 A119	Y58-T60 HydrophobicContact CD2-CG2 4.11Å; Y58-T60 HydrophobicContact CE2-CG2 3.73Å; Y58-R75 HydrophobicContact CD2-CB 4.4Å; Y58-W111 HydrophobicContact CD1-CB 3.88Å; Y58-W111 HydrophobicContact CD2-CB 4.1Å; Y58-W111 AromaticContact CD2-CD1 3.98Å; Y58-W111 HydrophobicContact CD2-CG 4.31Å; Y58-W111 HydrophobicContact CE1-CB 3.42Å; Y58-W111 VanDerWaalsContact CE1-CB 3.42Å; Y58-W111 HydrophobicContact CE1-CG 4.2Å; Y58-W111 HydrophobicContact CE2-CB 3.66Å; Y58-W111 AromaticContact CE2-CD1 3.42Å; Y58-W111 VanDerWaalsContact CE2-CD1 3.42Å; Y58-W111 AromaticContact CE2-CG 3.61Å; Y58-W111 HydrophobicContact CE2-CG 3.61Å; Y58-W111 HydrophobicContact CG-CB 4.19Å; Y58-W111 AromaticContact CZ-CD1 3.87Å; Y58-W111 AromaticContact CZ-CG 3.54Å; Y58-W111 PolarHBondContact N-O 3.13Å; Y58-W111 VanDerWaalsContact N-O 3.13Å; Y58-W111 PolarHBondContact O-N 3.13Å; Y58-V113 HydrophobicContact CD1-CG2 3.97Å; Y58-V113 HydrophobicContact CE1-CG2 3.97Å; Y58-A119 HydrophobicContact CE1-CB 4.26Å; Y58-A119 WeakPolarHBondContact OH-CB 3.33Å
59	V	94.4	Very high	82.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.7	-179.5	-173.4	0	0	0	0	109.4	I23 R75 T76 W87 L108 T109 I110 L217	I23-V59 HydrophobicContact CD1-CG1 4.47Å; I23-V59 HydrophobicContact CG2-CB 4.32Å; I23-V59 HydrophobicContact CG2-CG2 3.99Å; V59-R75 CarbonylContact O-C 3.59Å; V59-R75 VanDerWaalsContact O-CA 3.27Å; V59-R75 WeakPolarHBondContact O-CA 3.21Å; V59-T76 HydrophobicContact CB-CG2 3.94Å; V59-T76 PolarHBondContact N-OG1 2.91Å; V59-T76 PolarHBondContact O-N 3.34Å; V59-W87 HydrophobicContact CG2-CD2 4.42Å; V59-W87 HydrophobicContact CG2-CH2 4.01Å; V59-W87 HydrophobicContact CG2-CZ2 3.84Å; V59-W87 HydrophobicContact CG2-CZ3 4.35Å; V59-L108 HydrophobicContact CG1-CB 4.21Å; V59-L108 HydrophobicContact CG1-CD2 4.32Å; V59-T109 CarbonylContact C-O 3.6Å; V59-T109 WeakPolarHBondContact CA-O 3.39Å; V59-I110 HydrophobicContact CG2-CG1 4Å; V59-L217 HydrophobicContact CG1-CD2 4.28Å
60	T	94.8	Very high	83.2	Confident	27 Å²	27	56.2 Å²	56.2	17%	0.166	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.4	167.9	57	0	0	0	0	109.8	Y58 V74 R75 L108 T109 W111	Y58-T60 HydrophobicContact CD2-CG2 4.11Å; Y58-T60 HydrophobicContact CE2-CG2 3.73Å; T60-V74 CarbonylContact C-O 3.31Å; T60-V74 WeakPolarHBondContact CA-O 3.46Å; T60-R75 HydrophobicContact CG2-CB 4.1Å; T60-L108 CarbonylContact O-C 3.58Å; T60-L108 VanDerWaalsContact O-CA 3.28Å; T60-L108 WeakPolarHBondContact O-CA 3.31Å; T60-T109 PolarHBondContact N-O 2.9Å; T60-T109 PolarHBondContact O-N 2.96Å; T60-T109 PolarHBondContact OG1-O 3.37Å; T60-W111 PolarHBondContact OG1-NE1 3.39Å
61	C	94.8	Very high	84.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.7	-177.5	-175.9	0	0	0	0	109.9	L21 P73 V74 L91 L93 V106 A107 L108	L21-C61 HydrophobicContact CD1-CB 4.39Å; L21-C61 WeakPolarHBondContact CD2-SG 3.38Å; C61-P73 WeakPolarHBondContact O-CA 3.32Å; C61-V74 PolarHBondContact N-O 3.29Å; C61-V74 PolarHBondContact O-N 2.84Å; C61-L91 HydrophobicContact CB-CD1 4.1Å; C61-L93 HydrophobicContact CB-CD2 4.29Å; C61-V106 WeakPolarHBondContact SG-CG2 3.3Å; C61-A107 WeakPolarHBondContact CA-O 3.42Å; C61-L108 HydrophobicContact CB-CD2 4.42Å
62	Q	94.8	Very high	85	Confident	47 Å²	47	54.5 Å²	54.5	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.6	-179.4	-171.9	171.4	23.7	0	0	111	F64 P69 A71 P73 A107	Q62-F64 HydrophobicContact CB-CD2 4.44Å; Q62-F64 HydrophobicContact CB-CE2 3.8Å; Q62-F64 HydrophobicContact CG-CD2 4.25Å; Q62-F64 HydrophobicContact CG-CE2 3.66Å; Q62-F64 HydrophobicContact CG-CZ 4.15Å; Q62-P69 HydrophobicContact CG-CB 4.37Å; Q62-A71 WeakPolarHBondContact CG-O 3.33Å; Q62-A71 PolarHBondContact NE2-O 3.1Å; Q62-P73 HydrophobicContact CB-CB 4.15Å; Q62-P73 HydrophobicContact CG-CB 4.48Å; Q62-A107 PolarHBondContact N-O 3.42Å; Q62-A107 PolarHBondContact O-N 3.37Å
63	V	93.9	Very high	86.7	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.2	179.5	-175.8	0	0	0	0	109.7	P69 L70 L93 V95 L100 A104 Q105 V106 L129	V63-P69 WeakPolarHBondContact O-CA 3.47Å; V63-L70 HydrophobicContact CG1-CB 4.46Å; V63-L70 HydrophobicContact CG1-CD1 4.1Å; V63-L70 PolarHBondContact O-N 3.15Å; V63-L93 HydrophobicContact CG2-CD1 3.49Å; V63-L93 VanDerWaalsContact CG2-CD1 3.49Å; V63-V95 HydrophobicContact CB-CG1 4.48Å; V63-V95 HydrophobicContact CG2-CG1 3.97Å; V63-L100 HydrophobicContact CG1-CD2 4.02Å; V63-A104 HydrophobicContact CG1-CB 4.47Å; V63-Q105 CarbonylContact C-O 3.18Å; V63-Q105 WeakPolarHBondContact CA-O 3.4Å; V63-Q105 WeakPolarHBondContact CG1-O 3.42Å; V63-V106 HydrophobicContact CG2-CG2 4.44Å; V63-L129 HydrophobicContact CG1-CD1 3.93Å
64	F	92.8	Very high	88.1	Confident	25 Å²	25	45.8 Å²	45.8	11%	0.11	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.9	179.6	-72.5	-99.4	0	0	0	110.9	Q62 K68 P69 A104 Q105 A107	Q62-F64 HydrophobicContact CB-CD2 4.44Å; Q62-F64 HydrophobicContact CB-CE2 3.8Å; Q62-F64 HydrophobicContact CG-CD2 4.25Å; Q62-F64 HydrophobicContact CG-CE2 3.66Å; Q62-F64 HydrophobicContact CG-CZ 4.15Å; F64-K68 CarbonylContact C-O 3.57Å; F64-K68 WeakPolarHBondContact CA-O 3.23Å; F64-K68 VanDerWaalsContact CD1-C 3.45Å; F64-P69 HydrophobicContact CD1-CB 4.12Å; F64-P69 HydrophobicContact CE1-CB 3.78Å; F64-P69 HydrophobicContact CE1-CG 4.26Å; F64-P69 HydrophobicContact CZ-CB 4.14Å; F64-A104 CarbonylContact O-C 3.51Å; F64-A104 WeakPolarHBondContact O-CA 3.36Å; F64-Q105 PolarHBondContact N-O 2.95Å; F64-Q105 PolarHBondContact O-N 3.19Å; F64-A107 HydrophobicContact CD2-CB 3.8Å; F64-A107 HydrophobicContact CE2-CB 3.74Å
65	A	90.2	Very high	89	Confident	9 Å²	9	53.2 Å²	53.2	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.9	163.3	0	0	0	0	0	108.7	G67 K68 L70 P101	A65-G67 PolarHBondContact O-N 2.93Å; A65-G67 VanDerWaalsContact O-N 3.17Å; A65-K68 PolarHBondContact N-O 3.36Å; A65-K68 PolarHBondContact O-N 2.95Å; A65-L70 HydrophobicContact CB-CD1 3.8Å; A65-L70 HydrophobicContact CB-CD2 4.11Å; A65-L70 HydrophobicContact CB-CG 4Å; A65-P101 HydrophobicContact CB-CG 3.46Å; A65-P101 VanDerWaalsContact CB-CG 3.46Å
66	E	84.1	Confident	89.9	Confident	149 Å²	149	53.3 Å²	53.3	70%	0.696	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.9	-179.7	-55.3	-175.9	171.7	0	0	114.1	K68 N103	E66-K68 PolarHBondContact O-N 3.3Å; E66-N103 WeakPolarHBondContact CG-ND2 3.49Å
67	G	81.2	Confident	90.2	Very high	37 Å²	37	53.9 Å²	53.9	38%	0.381	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-2.2	-177	0	0	0	0	0	115.4	A65 G153	A65-G67 PolarHBondContact O-N 2.93Å; A65-G67 VanDerWaalsContact O-N 3.17Å; G67-G153 WeakPolarHBondContact CA-O 3.38Å; G67-G153 PolarHBondContact N-O 3.11Å
68	K	85.8	Confident	90	Very high	131 Å²	131	61.7 Å²	61.7	57%	0.57	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.6	-177.5	-63.8	-176	-178.8	179.9	0	111.9	F64 A65 E66 L70	F64-K68 CarbonylContact C-O 3.57Å; F64-K68 WeakPolarHBondContact CA-O 3.23Å; F64-K68 VanDerWaalsContact CD1-C 3.45Å; A65-K68 PolarHBondContact N-O 3.36Å; A65-K68 PolarHBondContact O-N 2.95Å; E66-K68 PolarHBondContact O-N 3.3Å; K68-L70 PolarHBondContact O-N 2.85Å
69	P	89.4	Confident	89.5	Confident	66 Å²	66	63.2 Å²	63.2	43%	0.429	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.9	176.4	28.1	-32.4	0	0	0	110.6	Q62 V63 F64	Q62-P69 HydrophobicContact CG-CB 4.37Å; V63-P69 WeakPolarHBondContact O-CA 3.47Å; F64-P69 HydrophobicContact CD1-CB 4.12Å; F64-P69 HydrophobicContact CE1-CB 3.78Å; F64-P69 HydrophobicContact CE1-CG 4.26Å; F64-P69 HydrophobicContact CZ-CB 4.14Å
70	L	87.5	Confident	88.8	Confident	79 Å²	79	66.5 Å²	66.5	41%	0.414	35%	0.348	S	S	.	.	S	Bend	trans	-84.8	-21.2	175.4	-67.1	-177.5	0	0	0	112.8	V63 A65 K68 P101	V63-L70 HydrophobicContact CG1-CB 4.46Å; V63-L70 HydrophobicContact CG1-CD1 4.1Å; V63-L70 PolarHBondContact O-N 3.15Å; A65-L70 HydrophobicContact CB-CD1 3.8Å; A65-L70 HydrophobicContact CB-CD2 4.11Å; A65-L70 HydrophobicContact CB-CG 4Å; K68-L70 PolarHBondContact O-N 2.85Å; L70-P101 HydrophobicContact CD1-CG 3.94Å
71	A	85.4	Confident	88.2	Confident	14 Å²	14	65.9 Å²	65.9	12%	0.116	34%	0.343	C	S	.	.	S	Bend	trans	-147.6	158.6	-170.5	0	0	0	0	0	111.3	Q62 P94 V95	Q62-A71 WeakPolarHBondContact CG-O 3.33Å; Q62-A71 PolarHBondContact NE2-O 3.1Å; A71-P94 HydrophobicContact CB-CG 3.75Å; A71-V95 HydrophobicContact CB-CB 4.49Å
72	L	86.4	Confident	87.2	Confident	127 Å²	127	70.1 Å²	70.1	67%	0.665	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-65.7	146.3	170	-67.8	175.7	0	0	0	110.9	V74	L72-V74 PolarHBondContact O-N 3.05Å
73	P	91.1	Very high	86.2	Confident	72 Å²	72	73.6 Å²	73.6	47%	0.468	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-66.5	134.3	177.6	27.5	-33.7	0	0	0	111	C61 Q62	C61-P73 WeakPolarHBondContact O-CA 3.32Å; Q62-P73 HydrophobicContact CB-CB 4.15Å; Q62-P73 HydrophobicContact CG-CB 4.48Å
74	V	92.9	Very high	85.6	Confident	34 Å²	34	81.7 Å²	81.7	21%	0.206	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.2	173.3	-178	0	0	0	0	108.8	T60 C61 L72 L91 L93 P94	T60-V74 CarbonylContact C-O 3.31Å; T60-V74 WeakPolarHBondContact CA-O 3.46Å; C61-V74 PolarHBondContact N-O 3.29Å; C61-V74 PolarHBondContact O-N 2.84Å; L72-V74 PolarHBondContact O-N 3.05Å; V74-L91 HydrophobicContact CG1-CB 4.32Å; V74-L91 HydrophobicContact CG1-CD2 4.28Å; V74-L93 HydrophobicContact CB-CD2 4.23Å; V74-L93 HydrophobicContact CG2-CD2 4.08Å; V74-P94 HydrophobicContact CG2-CG 4.38Å
75	R	92.7	Very high	85.4	Confident	183 Å²	183	82.1 Å²	82.1	69%	0.691	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.9	178.5	66.5	-179.4	172.2	-171	-3.1	112.2	Y58 V59 T60	Y58-R75 HydrophobicContact CD2-CB 4.4Å; V59-R75 CarbonylContact O-C 3.59Å; V59-R75 VanDerWaalsContact O-CA 3.27Å; V59-R75 WeakPolarHBondContact O-CA 3.21Å; T60-R75 HydrophobicContact CG2-CB 4.1Å
76	T	93.3	Very high	85.3	Confident	6 Å²	6	83.7 Å²	83.7	4%	0.037	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-64.7	152.9	167.1	56.8	0	0	0	0	111.5	I23 V59 W87 E89 L91	I23-T76 HydrophobicContact CB-CG2 4.11Å; I23-T76 HydrophobicContact CG1-CG2 3.91Å; I23-T76 HydrophobicContact CG2-CG2 4.23Å; V59-T76 HydrophobicContact CB-CG2 3.94Å; V59-T76 PolarHBondContact N-OG1 2.91Å; V59-T76 PolarHBondContact O-N 3.34Å; T76-W87 HydrophobicContact CG2-CG 4.26Å; T76-W87 PolarHBondContact OG1-NE1 2.94Å; T76-E89 WeakPolarHBondContact CB-OE2 3.23Å; T76-L91 HydrophobicContact CG2-CD1 4.06Å; T76-L91 HydrophobicContact CG2-CD2 4.23Å
77	S	88.3	Confident	85.7	Confident	64 Å²	64	77 Å²	77	45%	0.448	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.1	153.5	167.6	64.3	0	0	0	0	112	E89	S77-E89 WeakPolarHBondContact CB-OE2 3.03Å; S77-E89 PolarHBondContact N-OE1 3.03Å; S77-E89 PolarHBondContact N-OE2 3.4Å; S77-E89 PolarHBondContact OG-OE2 3.49Å
78	Y	83.9	Confident	86.2	Confident	170 Å²	170	79.7 Å²	79.7	67%	0.667	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-68.8	133.6	173.7	172.9	-100.8	0	0	0	110.2	D56	D56-Y78 HydrophobicContact CB-CE2 4.23Å; D56-Y78 WeakPolarHBondContact OD2-CE2 3.37Å; D56-Y78 PolarHBondContact OD2-OH 3.39Å
79	K	81.8	Confident	86.5	Confident	87 Å²	87	75.5 Å²	75.5	38%	0.378	39%	0.392	S	S	.	.			trans	-146	128.4	177	-169.8	175.3	-172.7	178.1	0	109.6	F81 N86 W87	K79-F81 HydrophobicContact CB-CE1 4.42Å; K79-F81 HydrophobicContact CB-CZ 4.17Å; K79-F81 HydrophobicContact CD-CE1 4.01Å; K79-F81 HydrophobicContact CD-CZ 4.44Å; K79-F81 HydrophobicContact CG-CE1 4.27Å; K79-F81 WeakPolarHBondContact O-CD2 3.45Å; K79-F81 WeakPolarHBondContact O-CE2 3.27Å; K79-N86 PolarHBondContact NZ-O 3.42Å; K79-W87 PolarHBondContact NZ-O 3.13Å
80	A	78.9	Confident	86.7	Confident	69 Å²	69	76.6 Å²	76.6	57%	0.57	39%	0.388	S	S	*	.			trans	-77	130.3	172.3	0	0	0	0	0	110.1
81	F	83.3	Confident	87	Confident	13 Å²	13	73 Å²	73	6%	0.057	37%	0.369	C	S	.	.			trans	-103.6	128.4	-179.4	-61.6	-71.9	0	0	0	111.3	C54 L57 K79 R84 W85 W87	C54-F81 HydrophobicContact CB-CB 3.64Å; L57-F81 WeakPolarHBondContact O-CE2 3.4Å; K79-F81 HydrophobicContact CB-CE1 4.42Å; K79-F81 HydrophobicContact CB-CZ 4.17Å; K79-F81 HydrophobicContact CD-CE1 4.01Å; K79-F81 HydrophobicContact CD-CZ 4.44Å; K79-F81 HydrophobicContact CG-CE1 4.27Å; K79-F81 WeakPolarHBondContact O-CD2 3.45Å; K79-F81 WeakPolarHBondContact O-CE2 3.27Å; F81-R84 WeakPolarHBondContact CD1-O 3.17Å; F81-W85 AromaticContact CD2-CD1 3.63Å; F81-W85 AromaticContact CG-CD1 3.76Å; F81-W87 HydrophobicContact CE2-CZ2 4Å; F81-W87 AromaticContact CZ-CD2 3.9Å; F81-W87 HydrophobicContact CZ-CD2 3.9Å; F81-W87 AromaticContact CZ-CE2 3.5Å; F81-W87 HydrophobicContact CZ-CG 4.22Å; F81-W87 HydrophobicContact CZ-CH2 4.44Å; F81-W87 AromaticContact CZ-CZ2 3.82Å; F81-W87 HydrophobicContact CZ-CZ2 3.82Å; F81-W87 AromaticContact CZ-NE1 3.58Å
82	S	74.6	Confident	87.4	Confident	90 Å²	90	78.6 Å²	78.6	63%	0.629	39%	0.391	S	S	*	.	S	Bend	trans	-92.2	-55.7	178	56.2	0	0	0	0	112.6
83	T	73.3	Confident	87.6	Confident	119 Å²	119	72.6 Å²	72.6	73%	0.73	36%	0.36	S	S	*	.	S	Bend	trans	-125.8	-24.4	-170.3	50.6	0	0	0	0	114.5
84	R	81.4	Confident	87.6	Confident	172 Å²	172	72.6 Å²	72.6	65%	0.649	36%	0.359	S	S	*	.	S	Bend	trans	-151.5	148.3	-179.6	63	-179.3	-178.7	178	0.1	111.4	F81 N86	F81-R84 WeakPolarHBondContact CD1-O 3.17Å; R84-N86 HydrophobicContact CG-CB 4.48Å; R84-N86 PolarHBondContact O-N 3.37Å
85	W	87.2	Confident	87.5	Confident	33 Å²	33	71.4 Å²	71.4	13%	0.125	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	102.2	172.4	-60.5	-62.8	0	0	0	110.1	S25 L26 S55 L57 F81 W87	S25-W85 CarbonylContact C-O 3.5Å; S25-W85 WeakPolarHBondContact CA-O 3.42Å; L26-W85 HydrophobicContact CB-CB 3.84Å; L26-W85 HydrophobicContact CB-CE3 4.41Å; L26-W85 HydrophobicContact CD2-CD2 4.21Å; L26-W85 HydrophobicContact CD2-CE3 4.03Å; L26-W85 HydrophobicContact CD2-CG 4.43Å; L26-W85 HydrophobicContact CG-CE3 4.12Å; L26-W85 PolarHBondContact N-O 3.5Å; S55-W85 PolarHBondContact O-NE1 3.47Å; L57-W85 HydrophobicContact CD1-CD2 4.09Å; L57-W85 HydrophobicContact CD1-CG 4.2Å; L57-W85 HydrophobicContact CD1-CZ2 4.15Å; F81-W85 AromaticContact CD2-CD1 3.63Å; F81-W85 AromaticContact CG-CD1 3.76Å; W85-W87 HydrophobicContact CB-CH2 4.04Å; W85-W87 HydrophobicContact CB-CZ3 3.91Å
86	N	89.8	Confident	87.5	Confident	42 Å²	42	66.2 Å²	66.2	23%	0.225	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	105	176.4	-176.6	0.1	0	0	0	110.2	K79 R84 N88	K79-N86 PolarHBondContact NZ-O 3.42Å; R84-N86 HydrophobicContact CG-CB 4.48Å; R84-N86 PolarHBondContact O-N 3.37Å; N86-N88 PolarHBondContact OD1-N 3.39Å
87	W	92.1	Very high	87.3	Confident	8 Å²	8	66 Å²	66	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-52.2	177.5	-70	-94	0	0	0	110.4	I23 G24 L26 L57 V59 T76 K79 F81 W85 E89 L217	I23-W87 HydrophobicContact CB-CB 4.36Å; I23-W87 HydrophobicContact CG2-CB 4.16Å; I23-W87 HydrophobicContact CG2-CD2 4.08Å; I23-W87 HydrophobicContact CG2-CE3 3.95Å; I23-W87 HydrophobicContact CG2-CG 4.19Å; G24-W87 PolarHBondContact O-N 2.76Å; L26-W87 HydrophobicContact CB-CH2 4.19Å; L26-W87 HydrophobicContact CB-CZ3 3.71Å; L26-W87 HydrophobicContact CD2-CH2 4.26Å; L57-W87 HydrophobicContact CB-CH2 4.12Å; L57-W87 HydrophobicContact CB-CZ2 3.77Å; L57-W87 WeakPolarHBondContact O-CZ2 3.36Å; L57-W87 PolarHBondContact O-NE1 2.88Å; V59-W87 HydrophobicContact CG2-CD2 4.42Å; V59-W87 HydrophobicContact CG2-CH2 4.01Å; V59-W87 HydrophobicContact CG2-CZ2 3.84Å; V59-W87 HydrophobicContact CG2-CZ3 4.35Å; T76-W87 HydrophobicContact CG2-CG 4.26Å; T76-W87 PolarHBondContact OG1-NE1 2.94Å; K79-W87 PolarHBondContact NZ-O 3.13Å; F81-W87 HydrophobicContact CE2-CZ2 4Å; F81-W87 AromaticContact CZ-CD2 3.9Å; F81-W87 HydrophobicContact CZ-CD2 3.9Å; F81-W87 AromaticContact CZ-CE2 3.5Å; F81-W87 HydrophobicContact CZ-CG 4.22Å; F81-W87 HydrophobicContact CZ-CH2 4.44Å; F81-W87 AromaticContact CZ-CZ2 3.82Å; F81-W87 HydrophobicContact CZ-CZ2 3.82Å; F81-W87 AromaticContact CZ-NE1 3.58Å; W85-W87 HydrophobicContact CB-CH2 4.04Å; W85-W87 HydrophobicContact CB-CZ3 3.91Å; W87-E89 VanDerWaalsContact C-N 3.26Å; W87-E89 HydrophobicContact CB-CB 4.27Å; W87-E89 PolarHBondContact O-N 3.09Å; W87-L217 HydrophobicContact CZ3-CD1 4.35Å
88	N	90.8	Very high	87.4	Confident	94 Å²	94	65.3 Å²	65.3	50%	0.503	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.3	41.9	-173.1	-165.8	45.3	0	0	0	112.2	K22 I23 N86	K22-N88 WeakPolarHBondContact CE-OD1 3.47Å; K22-N88 PolarHBondContact NZ-OD1 3.26Å; I23-N88 VanDerWaalsContact O-CA 3.28Å; I23-N88 WeakPolarHBondContact O-CA 3.38Å; I23-N88 PolarHBondContact O-N 3.44Å; N86-N88 PolarHBondContact OD1-N 3.39Å
89	E	92.9	Very high	87.6	Confident	44 Å²	44	62 Å²	62	21%	0.206	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.2	-170.5	-176.7	-179.5	161.8	0	0	111.1	K22 I23 T76 S77 W87 L91	K22-E89 CarbonylContact C-O 3.57Å; K22-E89 VanDerWaalsContact CA-O 3.24Å; K22-E89 WeakPolarHBondContact CA-O 3.32Å; K22-E89 WeakPolarHBondContact CG-O 3.29Å; I23-E89 PolarHBondContact N-O 3.4Å; I23-E89 PolarHBondContact O-N 2.96Å; I23-E89 VanDerWaalsContact O-N 3.09Å; T76-E89 WeakPolarHBondContact CB-OE2 3.23Å; S77-E89 WeakPolarHBondContact CB-OE2 3.03Å; S77-E89 PolarHBondContact N-OE1 3.03Å; S77-E89 PolarHBondContact N-OE2 3.4Å; S77-E89 PolarHBondContact OG-OE2 3.49Å; W87-E89 VanDerWaalsContact C-N 3.26Å; W87-E89 HydrophobicContact CB-CB 4.27Å; W87-E89 PolarHBondContact O-N 3.09Å; E89-L91 HydrophobicContact CG-CD2 4.19Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.43Å
90	W	93.8	Very high	87.9	Confident	88 Å²	88	58 Å²	58	33%	0.333	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.3	171.4	-77.2	97.5	0	0	0	110.5	Q20 K22 E220 R222	Q20-W90 HydrophobicContact CB-CE3 4.02Å; Q20-W90 HydrophobicContact CB-CZ3 4.3Å; K22-W90 HydrophobicContact CB-CD2 3.73Å; K22-W90 HydrophobicContact CB-CE3 3.82Å; K22-W90 HydrophobicContact CB-CG 4.28Å; K22-W90 HydrophobicContact CB-CH2 4.08Å; K22-W90 HydrophobicContact CB-CZ2 4.02Å; K22-W90 HydrophobicContact CB-CZ3 4Å; K22-W90 HydrophobicContact CD-CD2 4.29Å; K22-W90 HydrophobicContact CD-CZ2 3.92Å; K22-W90 HydrophobicContact CG-CD2 3.86Å; K22-W90 HydrophobicContact CG-CE3 4.46Å; K22-W90 HydrophobicContact CG-CG 3.97Å; K22-W90 HydrophobicContact CG-CZ2 4.32Å; W90-E220 HydrophobicContact CH2-CG 4.4Å; W90-R222 HydrophobicContact CH2-CB 4.13Å; W90-R222 HydrophobicContact CZ3-CB 3.96Å
91	L	93.1	Very high	88.4	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.1	172	-58.7	-175.8	0	0	0	109.9	Q20 L21 I23 C61 V74 T76 E89	Q20-L91 WeakPolarHBondContact CA-O 3.5Å; L21-L91 HydrophobicContact CD1-CB 4.06Å; L21-L91 HydrophobicContact CD1-CD1 4.13Å; L21-L91 HydrophobicContact CD1-CG 4.43Å; L21-L91 HydrophobicContact CG-CB 4.46Å; L21-L91 PolarHBondContact N-O 3.12Å; L21-L91 VanDerWaalsContact N-O 3.08Å; L21-L91 PolarHBondContact O-N 2.85Å; I23-L91 HydrophobicContact CD1-CD1 4.17Å; I23-L91 HydrophobicContact CG1-CD1 3.59Å; I23-L91 HydrophobicContact CG1-CG 4.03Å; C61-L91 HydrophobicContact CB-CD1 4.1Å; V74-L91 HydrophobicContact CG1-CB 4.32Å; V74-L91 HydrophobicContact CG1-CD2 4.28Å; T76-L91 HydrophobicContact CG2-CD1 4.06Å; T76-L91 HydrophobicContact CG2-CD2 4.23Å; E89-L91 HydrophobicContact CG-CD2 4.19Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.43Å
92	K	93.2	Very high	88.6	Confident	130 Å²	130	62.7 Å²	62.7	57%	0.565	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.1	170.9	-175.3	-179.4	179.3	-177.4	0	108.5	N18 Q20	N18-K92 HydrophobicContact CB-CD 4.38Å; N18-K92 HydrophobicContact CB-CG 3.85Å; N18-K92 VanDerWaalsContact ND2-CE 3.29Å; N18-K92 WeakPolarHBondContact ND2-CE 3.29Å; Q20-K92 HydrophobicContact CG-CB 4.42Å; Q20-K92 HydrophobicContact CG-CG 4.41Å
93	L	92.4	Very high	89.3	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.3	178	-59.6	177.5	0	0	0	110.8	N18 V19 L21 C61 V63 V74 V95	N18-L93 WeakPolarHBondContact CB-O 3.21Å; N18-L93 PolarHBondContact ND2-O 2.97Å; V19-L93 HydrophobicContact CB-CB 4.42Å; V19-L93 HydrophobicContact CB-CD1 4.23Å; V19-L93 HydrophobicContact CG1-CD1 3.98Å; V19-L93 PolarHBondContact O-N 3.02Å; L21-L93 HydrophobicContact CD2-CD1 3.38Å; L21-L93 HydrophobicContact CD2-CD2 4.13Å; L21-L93 HydrophobicContact CD2-CG 3.88Å; L21-L93 HydrophobicContact CG-CD1 4.41Å; L21-L93 HydrophobicContact CG-CG 4.47Å; C61-L93 HydrophobicContact CB-CD2 4.29Å; V63-L93 HydrophobicContact CG2-CD1 3.49Å; V63-L93 VanDerWaalsContact CG2-CD1 3.49Å; V74-L93 HydrophobicContact CB-CD2 4.23Å; V74-L93 HydrophobicContact CG2-CD2 4.08Å; L93-V95 HydrophobicContact CB-CG1 3.9Å; L93-V95 HydrophobicContact CD1-CG1 4.43Å; L93-V95 PolarHBondContact O-N 2.97Å
94	P	90.8	Very high	90.2	Very high	71 Å²	71	54.9 Å²	54.9	46%	0.461	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	45.7	177.1	36	-34.9	0	0	0	111	A71 V74	A71-P94 HydrophobicContact CB-CG 3.75Å; V74-P94 HydrophobicContact CG2-CG 4.38Å
95	V	90.9	Very high	90.8	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.2	175.3	60.3	0	0	0	0	108.6	N18 V19 V63 A71 L93 D99 L100	N18-V95 WeakPolarHBondContact CA-O 3.3Å; V19-V95 HydrophobicContact CB-CG1 4.23Å; V19-V95 HydrophobicContact CG2-CG1 4.06Å; V19-V95 WeakPolarHBondContact CG2-O 3.35Å; V19-V95 PolarHBondContact N-O 3.5Å; V63-V95 HydrophobicContact CB-CG1 4.48Å; V63-V95 HydrophobicContact CG2-CG1 3.97Å; A71-V95 HydrophobicContact CB-CB 4.49Å; L93-V95 HydrophobicContact CB-CG1 3.9Å; L93-V95 HydrophobicContact CD1-CG1 4.43Å; L93-V95 PolarHBondContact O-N 2.97Å; V95-D99 HydrophobicContact CG2-CB 4.15Å; V95-L100 HydrophobicContact CG1-CD2 4.16Å; V95-L100 HydrophobicContact CG2-CD2 3.7Å; V95-L100 HydrophobicContact CG2-CG 4.27Å
96	K	91.6	Very high	91.1	Very high	73 Å²	73	46.4 Å²	46.4	32%	0.317	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	160.5	178.3	-59.2	173.7	166	-166.2	0	111.1	D16 I17 N18 D99	D16-K96 VanDerWaalsContact OD1-CD 3.29Å; D16-K96 WeakPolarHBondContact OD1-CD 3.26Å; D16-K96 WeakPolarHBondContact OD1-CE 3.48Å; D16-K96 IonicContact OD1-NZ 2.87Å; D16-K96 PolarHBondContact OD1-NZ 3.38Å; D16-K96 IonicContact OD2-NZ 2.7Å; I17-K96 WeakPolarHBondContact O-CA 3.39Å; N18-K96 WeakPolarHBondContact OD1-CG 3.42Å; K96-D99 WeakPolarHBondContact CB-OD2 2.98Å; K96-D99 PolarHBondContact O-N 3.26Å
97	Y	90.4	Very high	91.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.008	22%	0.218	C	C	.	.	S	Bend	trans	-58.8	-34.9	176	-70.1	-84.7	0	0	0	115	S12 L15 I17 V19 D99 L100 F136 I233	S12-Y97 CarbonylContact O-C 3.6Å; L15-Y97 HydrophobicContact CB-CD2 4.33Å; L15-Y97 HydrophobicContact CB-CG 4.35Å; I17-Y97 HydrophobicContact CD1-CD2 4.2Å; I17-Y97 HydrophobicContact CD1-CE2 3.87Å; I17-Y97 HydrophobicContact CG1-CD2 3.54Å; I17-Y97 HydrophobicContact CG1-CE2 3.63Å; I17-Y97 VanDerWaalsContact O-CD2 3.23Å; I17-Y97 WeakPolarHBondContact O-CD2 3.38Å; I17-Y97 PolarHBondContact O-N 3.06Å; V19-Y97 HydrophobicContact CG2-CD1 4.19Å; V19-Y97 HydrophobicContact CG2-CD2 4.42Å; V19-Y97 HydrophobicContact CG2-CE1 4.23Å; V19-Y97 HydrophobicContact CG2-CE2 4.44Å; V19-Y97 HydrophobicContact CG2-CG 4.29Å; Y97-D99 VanDerWaalsContact C-N 3.29Å; Y97-D99 PolarHBondContact O-N 3.45Å; Y97-L100 HydrophobicContact CD1-CD1 4.41Å; Y97-L100 PolarHBondContact O-N 3.39Å; Y97-F136 HydrophobicContact CD1-CD2 4.45Å; Y97-F136 HydrophobicContact CD1-CE2 4.39Å; Y97-F136 HydrophobicContact CE1-CD1 4.06Å; Y97-F136 HydrophobicContact CE1-CD2 4.18Å; Y97-F136 AromaticContact CE1-CE1 3.8Å; Y97-F136 HydrophobicContact CE1-CE1 3.8Å; Y97-F136 AromaticContact CE1-CE2 3.91Å; Y97-F136 HydrophobicContact CE1-CE2 3.91Å; Y97-F136 HydrophobicContact CE1-CG 4.26Å; Y97-F136 AromaticContact CE1-CZ 3.73Å; Y97-F136 HydrophobicContact CE1-CZ 3.73Å; Y97-I233 HydrophobicContact CD1-CD1 3.89Å; Y97-I233 HydrophobicContact CD1-CG2 4.47Å; Y97-I233 HydrophobicContact CE1-CD1 3.47Å; Y97-I233 VanDerWaalsContact CE1-CD1 3.47Å
98	P	88.8	Confident	91.6	Very high	49 Å²	49	44.2 Å²	44.2	32%	0.318	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.3	177.8	-22.8	37.1	0	0	0	113	S12 L15 L100	S12-P98 WeakPolarHBondContact O-CA 3.29Å; L15-P98 VanDerWaalsContact O-CD 3.25Å; L15-P98 WeakPolarHBondContact O-CD 3.29Å; P98-L100 VanDerWaalsContact C-N 3.31Å; P98-L100 PolarHBondContact O-N 3.2Å
99	D	87.7	Confident	91.8	Very high	102 Å²	102	40.2 Å²	40.2	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.4	-176.3	-52.2	-37.9	0	0	0	112.8	V95 K96 Y97 P101	V95-D99 HydrophobicContact CG2-CB 4.15Å; K96-D99 WeakPolarHBondContact CB-OD2 2.98Å; K96-D99 PolarHBondContact O-N 3.26Å; Y97-D99 VanDerWaalsContact C-N 3.29Å; Y97-D99 PolarHBondContact O-N 3.45Å; D99-P101 VanDerWaalsContact O-CD 3.27Å; D99-P101 WeakPolarHBondContact O-CD 3.31Å
100	L	89.5	Confident	91.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.186	C	C	.	.			trans	-83.4	115.8	-177.7	-73.4	-178.5	0	0	0	111.2	V19 V63 V95 Y97 P98 A104 L129 F130 F136 Y235	V19-L100 HydrophobicContact CG2-CD1 3.56Å; V19-L100 HydrophobicContact CG2-CD2 4.41Å; V19-L100 HydrophobicContact CG2-CG 4.05Å; V63-L100 HydrophobicContact CG1-CD2 4.02Å; V95-L100 HydrophobicContact CG1-CD2 4.16Å; V95-L100 HydrophobicContact CG2-CD2 3.7Å; V95-L100 HydrophobicContact CG2-CG 4.27Å; Y97-L100 HydrophobicContact CD1-CD1 4.41Å; Y97-L100 PolarHBondContact O-N 3.39Å; P98-L100 VanDerWaalsContact C-N 3.31Å; P98-L100 PolarHBondContact O-N 3.2Å; L100-A104 HydrophobicContact CD2-CB 4.13Å; L100-L129 HydrophobicContact CD1-CD1 3.87Å; L100-L129 HydrophobicContact CD2-CD1 3.68Å; L100-L129 HydrophobicContact CG-CD1 4.42Å; L100-F130 HydrophobicContact CB-CE2 3.86Å; L100-F130 HydrophobicContact CB-CZ 4.1Å; L100-F130 HydrophobicContact CD1-CE2 4.3Å; L100-F130 HydrophobicContact CD1-CZ 4.28Å; L100-F136 HydrophobicContact CD1-CD2 4.45Å; L100-F136 HydrophobicContact CD1-CE2 3.98Å; L100-Y235 WeakPolarHBondContact O-CE2 3.35Å
101	P	89.6	Confident	91.7	Very high	35 Å²	35	35.7 Å²	35.7	23%	0.227	18%	0.177	C	C	.	.			trans	-70	159.9	172	29.9	-35.4	0	0	0	111.5	A65 L70 D99 N103 A104 F130	A65-P101 HydrophobicContact CB-CG 3.46Å; A65-P101 VanDerWaalsContact CB-CG 3.46Å; L70-P101 HydrophobicContact CD1-CG 3.94Å; D99-P101 VanDerWaalsContact O-CD 3.27Å; D99-P101 WeakPolarHBondContact O-CD 3.31Å; P101-N103 VanDerWaalsContact C-N 3.25Å; P101-N103 PolarHBondContact O-N 2.97Å; P101-A104 HydrophobicContact CG-CB 4.1Å; P101-A104 WeakPolarHBondContact O-CB 3.42Å; P101-A104 PolarHBondContact O-N 3.36Å; P101-F130 WeakPolarHBondContact O-CE2 3.36Å
102	R	87.8	Confident	91.4	Very high	145 Å²	145	35.7 Å²	35.7	55%	0.547	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-34.4	-176.8	-176.1	174.2	178.2	175.6	1.2	114	A104 Y235	R102-A104 VanDerWaalsContact C-N 3.31Å; R102-Y235 HydrophobicContact CB-CD1 4.04Å; R102-Y235 HydrophobicContact CB-CD2 4.17Å; R102-Y235 HydrophobicContact CB-CE1 3.88Å; R102-Y235 HydrophobicContact CB-CE2 4Å; R102-Y235 HydrophobicContact CB-CG 4.17Å; R102-Y235 HydrophobicContact CG-CD1 4.31Å; R102-Y235 HydrophobicContact CG-CG 4.44Å; R102-Y235 VanDerWaalsContact N-CE2 3.3Å
103	N	88.4	Confident	90.7	Very high	45 Å²	45	33 Å²	33	24%	0.241	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.6	179	66.6	-23.6	0	0	0	113.4	E66 P101 Q105	E66-N103 WeakPolarHBondContact CG-ND2 3.49Å; P101-N103 VanDerWaalsContact C-N 3.25Å; P101-N103 PolarHBondContact O-N 2.97Å; N103-Q105 VanDerWaalsContact O-CG 3.25Å; N103-Q105 WeakPolarHBondContact O-CG 3.41Å; N103-Q105 PolarHBondContact O-N 3.17Å
104	A	91.7	Very high	89.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.			trans	-56.1	135.5	-179.4	0	0	0	0	0	112.1	V63 F64 L100 P101 R102 L129	V63-A104 HydrophobicContact CG1-CB 4.47Å; F64-A104 CarbonylContact O-C 3.51Å; F64-A104 WeakPolarHBondContact O-CA 3.36Å; L100-A104 HydrophobicContact CD2-CB 4.13Å; P101-A104 HydrophobicContact CG-CB 4.1Å; P101-A104 WeakPolarHBondContact O-CB 3.42Å; P101-A104 PolarHBondContact O-N 3.36Å; R102-A104 VanDerWaalsContact C-N 3.31Å; A104-L129 HydrophobicContact CB-CB 4.47Å; A104-L129 HydrophobicContact CB-CD1 3.98Å; A104-L129 PolarHBondContact O-N 3.45Å
105	Q	93.6	Very high	88.4	Confident	26 Å²	26	32 Å²	32	12%	0.121	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.8	178.5	-45.4	-172.2	12.4	0	0	109.6	V63 F64 N103 T126 V127 E155	V63-Q105 CarbonylContact C-O 3.18Å; V63-Q105 WeakPolarHBondContact CA-O 3.4Å; V63-Q105 WeakPolarHBondContact CG1-O 3.42Å; F64-Q105 PolarHBondContact N-O 2.95Å; F64-Q105 PolarHBondContact O-N 3.19Å; N103-Q105 VanDerWaalsContact O-CG 3.25Å; N103-Q105 WeakPolarHBondContact O-CG 3.41Å; N103-Q105 PolarHBondContact O-N 3.17Å; Q105-T126 HydrophobicContact CB-CG2 3.97Å; Q105-V127 CarbonylContact C-O 3.58Å; Q105-V127 WeakPolarHBondContact CA-O 3.2Å; Q105-E155 PolarHBondContact NE2-OE1 2.85Å
106	V	94.4	Very high	87.2	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.6	173.9	63.4	0	0	0	0	109.4	L21 C61 V63 L108 T126 V127 L129 F221	L21-V106 HydrophobicContact CD2-CG2 4.07Å; C61-V106 WeakPolarHBondContact SG-CG2 3.3Å; V63-V106 HydrophobicContact CG2-CG2 4.44Å; V106-L108 HydrophobicContact CG1-CD1 4.18Å; V106-L108 HydrophobicContact CG2-CD1 4.27Å; V106-L108 HydrophobicContact CG2-CG 4.5Å; V106-T126 WeakPolarHBondContact O-CA 3.34Å; V106-V127 HydrophobicContact CG1-CG1 3.49Å; V106-V127 VanDerWaalsContact CG1-CG1 3.49Å; V106-V127 PolarHBondContact N-O 3.38Å; V106-V127 PolarHBondContact O-N 2.95Å; V106-L129 HydrophobicContact CB-CD2 3.9Å; V106-L129 HydrophobicContact CB-CG 4.35Å; V106-L129 HydrophobicContact CG1-CD2 3.67Å; V106-L129 HydrophobicContact CG1-CG 4.42Å; V106-F221 HydrophobicContact CG1-CE1 4.42Å; V106-F221 HydrophobicContact CG1-CZ 4.42Å
107	A	95.5	Very high	86.1	Confident	5 Å²	5	39.3 Å²	39.3	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.4	177.5	0	0	0	0	0	108.9	C61 Q62 F64 A151	C61-A107 WeakPolarHBondContact CA-O 3.42Å; Q62-A107 PolarHBondContact N-O 3.42Å; Q62-A107 PolarHBondContact O-N 3.37Å; F64-A107 HydrophobicContact CD2-CB 3.8Å; F64-A107 HydrophobicContact CE2-CB 3.74Å; A107-A151 HydrophobicContact CB-CB 3.75Å
108	L	95.9	Very high	85.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.3	178.9	-56.1	99.9	0	0	0	110.2	I23 V59 T60 C61 V106 G124 T125 L143 A151 L217 V219	I23-L108 HydrophobicContact CD1-CD2 3.47Å; I23-L108 VanDerWaalsContact CD1-CD2 3.47Å; V59-L108 HydrophobicContact CG1-CB 4.21Å; V59-L108 HydrophobicContact CG1-CD2 4.32Å; T60-L108 CarbonylContact O-C 3.58Å; T60-L108 VanDerWaalsContact O-CA 3.28Å; T60-L108 WeakPolarHBondContact O-CA 3.31Å; C61-L108 HydrophobicContact CB-CD2 4.42Å; V106-L108 HydrophobicContact CG1-CD1 4.18Å; V106-L108 HydrophobicContact CG2-CD1 4.27Å; V106-L108 HydrophobicContact CG2-CG 4.5Å; L108-G124 WeakPolarHBondContact O-CA 3.38Å; L108-T125 HydrophobicContact CB-CG2 3.97Å; L108-T125 HydrophobicContact CD1-CG2 4.33Å; L108-T125 PolarHBondContact N-O 3.04Å; L108-T125 PolarHBondContact O-N 3.35Å; L108-L143 HydrophobicContact CD1-CD1 4.14Å; L108-A151 WeakPolarHBondContact O-CB 3.36Å; L108-L217 HydrophobicContact CB-CD2 4.22Å; L108-L217 HydrophobicContact CD2-CD2 4.11Å; L108-V219 HydrophobicContact CD2-CG2 4.04Å
109	T	95.4	Very high	85.2	Confident	10 Å²	10	44.2 Å²	44.2	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.4	177.7	-54.8	0	0	0	0	109.9	V59 T60 W111 P121 E150 A151	V59-T109 CarbonylContact C-O 3.6Å; V59-T109 WeakPolarHBondContact CA-O 3.39Å; T60-T109 PolarHBondContact N-O 2.9Å; T60-T109 PolarHBondContact O-N 2.96Å; T60-T109 PolarHBondContact OG1-O 3.37Å; T109-W111 HydrophobicContact CG2-CD2 4.24Å; T109-W111 HydrophobicContact CG2-CZ2 3.78Å; T109-P121 HydrophobicContact CG2-CB 4.18Å; T109-E150 HydrophobicContact CG2-CB 4.34Å; T109-E150 HydrophobicContact CG2-CG 4.16Å; T109-A151 WeakPolarHBondContact OG1-CB 3.41Å; T109-A151 PolarHBondContact OG1-N 2.89Å
110	I	93.6	Very high	85.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.8	175.6	-59.3	153.5	0	0	0	108.3	L26 L57 V59 V122 G123 V145 L217	L26-I110 HydrophobicContact CD1-CD1 3.67Å; L26-I110 HydrophobicContact CD2-CD1 4.02Å; L26-I110 HydrophobicContact CD2-CG2 4.23Å; L26-I110 HydrophobicContact CG-CD1 4.49Å; L57-I110 HydrophobicContact CB-CG2 4.26Å; L57-I110 HydrophobicContact CD1-CG2 3.99Å; V59-I110 HydrophobicContact CG2-CG1 4Å; I110-V122 HydrophobicContact CB-CB 4.31Å; I110-V122 HydrophobicContact CG2-CB 4.02Å; I110-V122 HydrophobicContact CG2-CG1 4.49Å; I110-V122 HydrophobicContact CG2-CG2 4.39Å; I110-V122 PolarHBondContact O-N 2.82Å; I110-G123 PolarHBondContact N-O 3.09Å; I110-V145 HydrophobicContact CD1-CB 4.47Å; I110-V145 HydrophobicContact CD1-CG1 3.86Å; I110-V145 HydrophobicContact CD1-CG2 3.8Å; I110-L217 HydrophobicContact CD1-CD2 4.44Å
111	W	91.1	Very high	85.2	Confident	37 Å²	37	42.7 Å²	42.7	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.6	-174.9	-64.5	93	0	0	0	111.6	L57 Y58 T60 T109 A119 P121 E150	L57-W111 VanDerWaalsContact CA-O 3.32Å; L57-W111 WeakPolarHBondContact CA-O 3.36Å; L57-W111 WeakPolarHBondContact CD2-O 3.47Å; Y58-W111 HydrophobicContact CD1-CB 3.88Å; Y58-W111 HydrophobicContact CD2-CB 4.1Å; Y58-W111 AromaticContact CD2-CD1 3.98Å; Y58-W111 HydrophobicContact CD2-CG 4.31Å; Y58-W111 HydrophobicContact CE1-CB 3.42Å; Y58-W111 VanDerWaalsContact CE1-CB 3.42Å; Y58-W111 HydrophobicContact CE1-CG 4.2Å; Y58-W111 HydrophobicContact CE2-CB 3.66Å; Y58-W111 AromaticContact CE2-CD1 3.42Å; Y58-W111 VanDerWaalsContact CE2-CD1 3.42Å; Y58-W111 AromaticContact CE2-CG 3.61Å; Y58-W111 HydrophobicContact CE2-CG 3.61Å; Y58-W111 HydrophobicContact CG-CB 4.19Å; Y58-W111 AromaticContact CZ-CD1 3.87Å; Y58-W111 AromaticContact CZ-CG 3.54Å; Y58-W111 PolarHBondContact N-O 3.13Å; Y58-W111 VanDerWaalsContact N-O 3.13Å; Y58-W111 PolarHBondContact O-N 3.13Å; T60-W111 PolarHBondContact OG1-NE1 3.39Å; T109-W111 HydrophobicContact CG2-CD2 4.24Å; T109-W111 HydrophobicContact CG2-CZ2 3.78Å; W111-A119 HydrophobicContact CB-CB 4.39Å; W111-A119 HydrophobicContact CD2-CB 4.36Å; W111-A119 HydrophobicContact CE3-CB 3.73Å; W111-A119 HydrophobicContact CZ3-CB 4.41Å; W111-P121 HydrophobicContact CE3-CB 4.4Å; W111-P121 HydrophobicContact CZ3-CB 4.23Å; W111-P121 HydrophobicContact CZ3-CG 4.42Å; W111-E150 HydrophobicContact CH2-CG 4.07Å; W111-E150 VanDerWaalsContact CH2-OE1 3.27Å; W111-E150 WeakPolarHBondContact CH2-OE1 3.49Å; W111-E150 HydrophobicContact CZ2-CG 4.33Å
112	D	86.6	Confident	85.1	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.2	168.5	-170.9	4.2	0	0	0	109.6	R30 S47 L57 Y114 A119 V120 V122	R30-D112 IonicContact CZ-OD2 2.61Å; R30-D112 VanDerWaalsContact CZ-OD2 3.24Å; R30-D112 IonicContact NH1-OD2 2.85Å; R30-D112 PolarHBondContact NH1-OD2 2.92Å; R30-D112 IonicContact NH2-OD2 3.45Å; R30-D112 PolarHBondContact NH2-OD2 3.48Å; S47-D112 PolarHBondContact OG-OD2 2.94Å; L57-D112 HydrophobicContact CD2-CB 3.84Å; D112-Y114 PolarHBondContact O-N 3.4Å; D112-A119 WeakPolarHBondContact O-CA 3.37Å; D112-V120 PolarHBondContact N-O 3.2Å; D112-V120 PolarHBondContact O-N 3.11Å; D112-V122 HydrophobicContact CB-CG2 3.59Å
113	V	79.1	Confident	85.3	Confident	74 Å²	74	34.3 Å²	34.3	45%	0.448	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	88.3	178.6	-174.2	0	0	0	0	108.3	Y58 G115	Y58-V113 HydrophobicContact CD1-CG2 3.97Å; Y58-V113 HydrophobicContact CE1-CG2 3.97Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.05Å
114	Y	69.3	Low	85.5	Confident	26 Å²	26	32.2 Å²	32.2	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-19.1	-174.2	-169.8	-101	0	0	0	113.5	D41 M43 L44 D112 K118 V120	D41-Y114 PolarHBondContact OD1-OH 3.1Å; D41-Y114 PolarHBondContact OD2-OH 2.72Å; M43-Y114 HydrophobicContact CB-CE1 3.88Å; L44-Y114 HydrophobicContact CD2-CE2 3.98Å; L44-Y114 HydrophobicContact CG-CE2 4.15Å; L44-Y114 WeakPolarHBondContact CG-OH 3.37Å; L44-Y114 PolarHBondContact N-OH 3.13Å; D112-Y114 PolarHBondContact O-N 3.4Å; Y114-K118 HydrophobicContact CD1-CD 3.97Å; Y114-K118 HydrophobicContact CD1-CG 4.38Å; Y114-K118 PolarHBondContact N-O 3.06Å; Y114-K118 VanDerWaalsContact N-O 3.09Å; Y114-V120 HydrophobicContact CD1-CG2 4.41Å; Y114-V120 HydrophobicContact CD2-CG2 4.24Å; Y114-V120 HydrophobicContact CG-CG2 3.88Å
115	G	66.4	Low	85.7	Confident	26 Å²	26	32.2 Å²	32.2	27%	0.268	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-176.8	177.4	0	0	0	0	0	112.8	V113 G117 K118	V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.05Å; G115-G117 PolarHBondContact O-N 3.12Å; G115-K118 PolarHBondContact N-O 3.38Å; G115-K118 PolarHBondContact O-N 2.93Å; G115-K118 VanDerWaalsContact O-N 3.17Å
116	P	64.3	Low	85.7	Confident	143 Å²	143	31.1 Å²	31.1	93%	0.929	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	113.8	178.6	22.6	-30.2	0	0	0	110.6	K118	P116-K118 VanDerWaalsContact C-N 3.32Å; P116-K118 PolarHBondContact O-N 2.77Å
117	G	69.3	Low	85.6	Confident	94 Å²	94	31.3 Å²	31.3	97%	0.969	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	6.4	178.7	0	0	0	0	0	115.9	G115	G115-G117 PolarHBondContact O-N 3.12Å
118	K	78.1	Confident	85.5	Confident	118 Å²	118	32.9 Å²	32.9	51%	0.513	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.3	-178.8	-170.1	172.9	175.9	-174.5	0	111.1	Y114 G115 P116	Y114-K118 HydrophobicContact CD1-CD 3.97Å; Y114-K118 HydrophobicContact CD1-CG 4.38Å; Y114-K118 PolarHBondContact N-O 3.06Å; Y114-K118 VanDerWaalsContact N-O 3.09Å; G115-K118 PolarHBondContact N-O 3.38Å; G115-K118 PolarHBondContact O-N 2.93Å; G115-K118 VanDerWaalsContact O-N 3.17Å; P116-K118 VanDerWaalsContact C-N 3.32Å; P116-K118 PolarHBondContact O-N 2.77Å
119	A	83.1	Confident	85.3	Confident	35 Å²	35	32.9 Å²	32.9	29%	0.289	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.3	173	0	0	0	0	0	109.8	Y58 W111 D112	Y58-A119 HydrophobicContact CE1-CB 4.26Å; Y58-A119 WeakPolarHBondContact OH-CB 3.33Å; W111-A119 HydrophobicContact CB-CB 4.39Å; W111-A119 HydrophobicContact CD2-CB 4.36Å; W111-A119 HydrophobicContact CE3-CB 3.73Å; W111-A119 HydrophobicContact CZ3-CB 4.41Å; D112-A119 WeakPolarHBondContact O-CA 3.37Å
120	V	86.4	Confident	85.1	Confident	46 Å²	46	32.7 Å²	32.7	28%	0.279	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.2	-179.9	178.1	0	0	0	0	108.8	D112 Y114 V122	D112-V120 PolarHBondContact N-O 3.2Å; D112-V120 PolarHBondContact O-N 3.11Å; Y114-V120 HydrophobicContact CD1-CG2 4.41Å; Y114-V120 HydrophobicContact CD2-CG2 4.24Å; Y114-V120 HydrophobicContact CG-CG2 3.88Å; V120-V122 PolarHBondContact O-N 3.09Å
121	P	89.7	Confident	84.6	Confident	26 Å²	26	33.9 Å²	33.9	17%	0.169	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.2	178.7	28.2	-34.3	0	0	0	110.1	T109 W111 E150	T109-P121 HydrophobicContact CG2-CB 4.18Å; W111-P121 HydrophobicContact CE3-CB 4.4Å; W111-P121 HydrophobicContact CZ3-CB 4.23Å; W111-P121 HydrophobicContact CZ3-CG 4.42Å; P121-E150 HydrophobicContact CB-CG 3.79Å; P121-E150 HydrophobicContact CG-CG 3.97Å
122	V	88.3	Confident	84.1	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-38	169.8	178.5	0	0	0	0	109.7	L57 I110 D112 V120 N148 M215	L57-V122 HydrophobicContact CD2-CG2 3.89Å; I110-V122 HydrophobicContact CB-CB 4.31Å; I110-V122 HydrophobicContact CG2-CB 4.02Å; I110-V122 HydrophobicContact CG2-CG1 4.49Å; I110-V122 HydrophobicContact CG2-CG2 4.39Å; I110-V122 PolarHBondContact O-N 2.82Å; D112-V122 HydrophobicContact CB-CG2 3.59Å; V120-V122 PolarHBondContact O-N 3.09Å; V122-N148 PolarHBondContact O-N 3.46Å; V122-M215 HydrophobicContact CG1-CE 3.71Å; V122-M215 HydrophobicContact CG1-SD 4.21Å
123	G	90.8	Very high	83.9	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	165.4	173.7	0	0	0	0	0	113.8	I110 W146 V149	I110-G123 PolarHBondContact N-O 3.09Å; G123-W146 CarbonylContact C-O 3.58Å; G123-W146 WeakPolarHBondContact CA-O 3.41Å; G123-V149 CarbonylContact C-O 3.59Å; G123-V149 WeakPolarHBondContact CA-O 3.32Å
124	G	94.1	Very high	84	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148	-172.5	0	0	0	0	0	112.2	L108 W146 V149	L108-G124 WeakPolarHBondContact O-CA 3.38Å; G124-W146 PolarHBondContact N-O 2.65Å; G124-W146 PolarHBondContact O-N 3.15Å; G124-V149 WeakPolarHBondContact CA-O 3.42Å; G124-V149 PolarHBondContact N-O 2.97Å
125	T	94.4	Very high	84.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.6	173.1	174.9	0	0	0	0	111	L108 L143 K144 V145 G161 L217	L108-T125 HydrophobicContact CB-CG2 3.97Å; L108-T125 HydrophobicContact CD1-CG2 4.33Å; L108-T125 PolarHBondContact N-O 3.04Å; L108-T125 PolarHBondContact O-N 3.35Å; T125-L143 HydrophobicContact CG2-CB 4.2Å; T125-L143 HydrophobicContact CG2-CD1 4.38Å; T125-K144 WeakPolarHBondContact CB-O 3.45Å; T125-K144 PolarHBondContact OG1-O 3.01Å; T125-V145 HydrophobicContact CG2-CG2 4.25Å; T125-G161 WeakPolarHBondContact OG1-CA 3.27Å; T125-L217 HydrophobicContact CG2-CD2 4.26Å
126	T	94.2	Very high	86	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.4	176.8	-60.8	0	0	0	0	110.9	Q105 V106 D152 T157 T159 G161	Q105-T126 HydrophobicContact CB-CG2 3.97Å; V106-T126 WeakPolarHBondContact O-CA 3.34Å; T126-D152 WeakPolarHBondContact CB-O 3.24Å; T126-D152 WeakPolarHBondContact CG2-O 3.3Å; T126-D152 PolarHBondContact OG1-O 2.9Å; T126-T157 HydrophobicContact CG2-CG2 4.4Å; T126-T159 PolarHBondContact N-O 2.82Å; T126-T159 PolarHBondContact OG1-OG1 2.8Å; T126-G161 PolarHBondContact O-N 2.9Å
127	V	92.9	Very high	87.1	Confident	6 Å²	6	43.1 Å²	43.1	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.1	178.1	65.6	0	0	0	0	111.5	Q105 V106 L143 R162 F221	Q105-V127 CarbonylContact C-O 3.58Å; Q105-V127 WeakPolarHBondContact CA-O 3.2Å; V106-V127 HydrophobicContact CG1-CG1 3.49Å; V106-V127 VanDerWaalsContact CG1-CG1 3.49Å; V106-V127 PolarHBondContact N-O 3.38Å; V106-V127 PolarHBondContact O-N 2.95Å; V127-L143 HydrophobicContact CB-CD1 4.18Å; V127-L143 HydrophobicContact CB-CD2 4.06Å; V127-L143 HydrophobicContact CG1-CD1 3.71Å; V127-L143 HydrophobicContact CG1-CD2 4.29Å; V127-L143 HydrophobicContact CG2-CD2 4.02Å; V127-R162 HydrophobicContact CG2-CG 4.41Å; V127-F221 HydrophobicContact CG1-CZ 3.98Å
128	S	91.9	Very high	87.9	Confident	37 Å²	37	41.1 Å²	41.1	26%	0.259	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.8	174.8	73.8	0	0	0	0	111.2	F130 R137	S128-F130 WeakPolarHBondContact CB-O 3.18Å; S128-F130 PolarHBondContact OG-O 2.91Å; S128-R137 WeakPolarHBondContact O-CD 3.4Å; S128-R137 PolarHBondContact O-NE 2.99Å; S128-R137 PolarHBondContact OG-NE 3.42Å; S128-R137 PolarHBondContact OG-NH2 2.89Å
129	L	91.6	Very high	88.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-75.9	-35.7	175.3	-70.1	179	0	0	0	111.7	V63 L100 A104 V106 F136 R137 F221	V63-L129 HydrophobicContact CG1-CD1 3.93Å; L100-L129 HydrophobicContact CD1-CD1 3.87Å; L100-L129 HydrophobicContact CD2-CD1 3.68Å; L100-L129 HydrophobicContact CG-CD1 4.42Å; A104-L129 HydrophobicContact CB-CB 4.47Å; A104-L129 HydrophobicContact CB-CD1 3.98Å; A104-L129 PolarHBondContact O-N 3.45Å; V106-L129 HydrophobicContact CB-CD2 3.9Å; V106-L129 HydrophobicContact CB-CG 4.35Å; V106-L129 HydrophobicContact CG1-CD2 3.67Å; V106-L129 HydrophobicContact CG1-CG 4.42Å; L129-F136 HydrophobicContact CB-CD2 4.29Å; L129-F136 HydrophobicContact CB-CE2 3.92Å; L129-F136 HydrophobicContact CD2-CE2 4.12Å; L129-F136 HydrophobicContact CD2-CZ 4.37Å; L129-F136 HydrophobicContact CG-CE2 4.42Å; L129-R137 WeakPolarHBondContact O-CG 3.49Å; L129-R137 PolarHBondContact O-N 3.22Å; L129-F221 HydrophobicContact CD2-CE1 3.76Å
130	F	91.2	Very high	88.2	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.031	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-101.5	142.5	174.4	-60.7	-81.1	0	0	0	111.7	L100 P101 S128 G134 M135 F136 Y235	L100-F130 HydrophobicContact CB-CE2 3.86Å; L100-F130 HydrophobicContact CB-CZ 4.1Å; L100-F130 HydrophobicContact CD1-CE2 4.3Å; L100-F130 HydrophobicContact CD1-CZ 4.28Å; P101-F130 WeakPolarHBondContact O-CE2 3.36Å; S128-F130 WeakPolarHBondContact CB-O 3.18Å; S128-F130 PolarHBondContact OG-O 2.91Å; F130-G134 WeakPolarHBondContact CD1-O 3.33Å; F130-M135 WeakPolarHBondContact CA-O 3.39Å; F130-F136 HydrophobicContact CD1-CB 4.13Å; F130-F136 HydrophobicContact CD1-CD2 4.38Å; F130-F136 HydrophobicContact CE1-CB 4Å; F130-F136 HydrophobicContact CE1-CD2 4.03Å; F130-F136 HydrophobicContact CZ-CD2 4.26Å; F130-Y235 HydrophobicContact CE1-CD2 4.35Å; F130-Y235 HydrophobicContact CE2-CD2 4.13Å; F130-Y235 AromaticContact CZ-CD2 3.96Å; F130-Y235 HydrophobicContact CZ-CD2 3.96Å
131	G	84.3	Confident	88.1	Confident	25 Å²	25	39.3 Å²	39.3	26%	0.258	20%	0.196	S	C	.	.			trans	-78.9	177.4	171.4	0	0	0	0	0	112.7	Y133 G134 M135	G131-Y133 PolarHBondContact O-N 3.08Å; G131-Y133 VanDerWaalsContact O-N 3.07Å; G131-G134 PolarHBondContact O-N 2.86Å; G131-M135 PolarHBondContact N-O 3.41Å
132	K	80.8	Confident	87.9	Confident	182 Å²	182	40.8 Å²	40.8	79%	0.791	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.8	-179.6	-172.1	177.5	-178.9	179.8	0	113.6
133	Y	81.1	Confident	88	Confident	196 Å²	196	40.5 Å²	40.5	77%	0.769	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	12.4	-178.6	-55.5	-73.4	0	0	0	113.9	G131 M135	G131-Y133 PolarHBondContact O-N 3.08Å; G131-Y133 VanDerWaalsContact O-N 3.07Å; Y133-M135 PolarHBondContact O-N 3.37Å
134	G	82.1	Confident	88	Confident	4 Å²	4	41.8 Å²	41.8	4%	0.041	21%	0.206	C	C	.	.	S	Bend	trans	75.4	7.5	178.8	0	0	0	0	0	114.8	F130 G131 Y235	F130-G134 WeakPolarHBondContact CD1-O 3.33Å; G131-G134 PolarHBondContact O-N 2.86Å; G134-Y235 WeakPolarHBondContact O-CB 3.45Å; G134-Y235 PolarHBondContact O-N 3.09Å
135	M	87.9	Confident	87.8	Confident	70 Å²	70	41.8 Å²	41.8	35%	0.345	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-81	132.5	171.4	-67.2	-178.7	64.1	0	0	110.8	F7 F130 G131 Y133 I233 V234	F7-M135 HydrophobicContact CE2-CE 3.92Å; F7-M135 HydrophobicContact CZ-CE 3.52Å; F7-M135 HydrophobicContact CZ-SD 4Å; F130-M135 WeakPolarHBondContact CA-O 3.39Å; G131-M135 PolarHBondContact N-O 3.41Å; Y133-M135 PolarHBondContact O-N 3.37Å; M135-I233 CarbonylContact C-O 3.58Å; M135-I233 WeakPolarHBondContact CA-O 3.38Å; M135-V234 HydrophobicContact CG-CG2 4.3Å
136	F	90.3	Very high	87.6	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.022	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-61.3	141.9	171.3	-170.2	-102.2	0	0	0	109.9	V19 Y97 L100 L129 F130 F221 I233	V19-F136 HydrophobicContact CG1-CE2 4.42Å; V19-F136 HydrophobicContact CG1-CZ 3.97Å; Y97-F136 HydrophobicContact CD1-CD2 4.45Å; Y97-F136 HydrophobicContact CD1-CE2 4.39Å; Y97-F136 HydrophobicContact CE1-CD1 4.06Å; Y97-F136 HydrophobicContact CE1-CD2 4.18Å; Y97-F136 AromaticContact CE1-CE1 3.8Å; Y97-F136 HydrophobicContact CE1-CE1 3.8Å; Y97-F136 AromaticContact CE1-CE2 3.91Å; Y97-F136 HydrophobicContact CE1-CE2 3.91Å; Y97-F136 HydrophobicContact CE1-CG 4.26Å; Y97-F136 AromaticContact CE1-CZ 3.73Å; Y97-F136 HydrophobicContact CE1-CZ 3.73Å; L100-F136 HydrophobicContact CD1-CD2 4.45Å; L100-F136 HydrophobicContact CD1-CE2 3.98Å; L129-F136 HydrophobicContact CB-CD2 4.29Å; L129-F136 HydrophobicContact CB-CE2 3.92Å; L129-F136 HydrophobicContact CD2-CE2 4.12Å; L129-F136 HydrophobicContact CD2-CZ 4.37Å; L129-F136 HydrophobicContact CG-CE2 4.42Å; F130-F136 HydrophobicContact CD1-CB 4.13Å; F130-F136 HydrophobicContact CD1-CD2 4.38Å; F130-F136 HydrophobicContact CE1-CB 4Å; F130-F136 HydrophobicContact CE1-CD2 4.03Å; F130-F136 HydrophobicContact CZ-CD2 4.26Å; F136-F221 HydrophobicContact CE1-CB 4.32Å; F136-F221 HydrophobicContact CE1-CD1 4.1Å; F136-F221 HydrophobicContact CZ-CD1 4.06Å; F136-I233 HydrophobicContact CB-CB 3.72Å; F136-I233 HydrophobicContact CB-CD1 4.46Å; F136-I233 HydrophobicContact CB-CG2 4.15Å; F136-I233 HydrophobicContact CD1-CD1 4.07Å; F136-I233 HydrophobicContact CG-CD1 4.4Å; F136-I233 PolarHBondContact N-O 3.35Å
137	R	87.7	Confident	87.3	Confident	46 Å²	46	48 Å²	48	17%	0.174	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.8	137.9	177.6	-69.2	-175.3	-171.7	-85.1	-0.9	110.2	S128 L129 F221	S128-R137 WeakPolarHBondContact O-CD 3.4Å; S128-R137 PolarHBondContact O-NE 2.99Å; S128-R137 PolarHBondContact OG-NE 3.42Å; S128-R137 PolarHBondContact OG-NH2 2.89Å; L129-R137 WeakPolarHBondContact O-CG 3.49Å; L129-R137 PolarHBondContact O-N 3.22Å; R137-F221 HydrophobicContact CB-CD1 4.25Å; R137-F221 HydrophobicContact CB-CD2 4.01Å; R137-F221 HydrophobicContact CB-CE1 4.47Å; R137-F221 HydrophobicContact CB-CE2 4.24Å; R137-F221 HydrophobicContact CB-CG 4.01Å; R137-F221 HydrophobicContact CB-CZ 4.47Å; R137-F221 WeakPolarHBondContact O-CB 3.3Å
138	Q	85.6	Confident	87	Confident	53 Å²	53	53 Å²	53	25%	0.248	26%	0.264	C	S	.	.			trans	-132.2	154.1	178.6	-64.9	-177.3	-16	0	0	110	H141 Y231	Q138-H141 PolarHBondContact O-NE2 3.44Å; Q138-Y231 PolarHBondContact NE2-O 2.89Å
139	G	83.1	Confident	86.9	Confident	26 Å²	26	54.5 Å²	54.5	27%	0.268	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.6	-166	177.2	0	0	0	0	0	113.6	H141 E220 F221	G139-H141 PolarHBondContact O-CD2 3.17Å; G139-H141 VanDerWaalsContact O-CD2 3.29Å; G139-E220 WeakPolarHBondContact O-CA 3.33Å; G139-F221 PolarHBondContact N-O 3.06Å; G139-F221 PolarHBondContact O-N 3.29Å
140	M	83.4	Confident	87	Confident	99 Å²	99	59.6 Å²	59.6	49%	0.488	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.5	-174.8	-63.3	167.6	174.8	0	0	111.3	M218 E220	M140-M218 HydrophobicContact CG-SD 4.39Å; M140-E220 HydrophobicContact CE-CG 4.5Å; M140-E220 HydrophobicContact CG-CB 4.23Å; M140-E220 HydrophobicContact CG-CG 3.8Å
141	H	85.3	Confident	87	Confident	35 Å²	35	59.9 Å²	59.9	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.3	175.7	-62.7	-102.4	0	0	0	109.6	Q138 G139 L143 R162 V219 F221	Q138-H141 PolarHBondContact O-NE2 3.44Å; G139-H141 PolarHBondContact O-CD2 3.17Å; G139-H141 VanDerWaalsContact O-CD2 3.29Å; H141-L143 HydrophobicContact CB-CD2 4.25Å; H141-R162 PolarHBondContact ND1-NH1 3.39Å; H141-V219 PolarHBondContact N-O 2.91Å; H141-V219 PolarHBondContact O-N 3.18Å; H141-F221 HydrophobicContact CB-CE2 4.48Å; H141-F221 AromaticContact CD2-CD2 3.54Å; H141-F221 AromaticContact CD2-CE2 3.88Å
142	D	86.1	Confident	87.1	Confident	57 Å²	57	60.2 Å²	60.2	31%	0.305	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.3	168.5	-71	-44.3	0	0	0	109.2	K209 M218	D142-K209 IonicContact OD1-NZ 3Å; D142-K209 PolarHBondContact OD1-NZ 3.29Å; D142-K209 VanDerWaalsContact OD2-CE 3.26Å; D142-K209 WeakPolarHBondContact OD2-CE 3.4Å; D142-K209 IonicContact OD2-NZ 2.73Å; D142-K209 PolarHBondContact OD2-NZ 3.29Å; D142-M218 WeakPolarHBondContact OD1-CB 3.47Å
143	L	89.6	Confident	87.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.9	-177.1	-56.7	-179	0	0	0	110.6	L108 T125 V127 H141 V145 R162 Y216 L217 V219	L108-L143 HydrophobicContact CD1-CD1 4.14Å; T125-L143 HydrophobicContact CG2-CB 4.2Å; T125-L143 HydrophobicContact CG2-CD1 4.38Å; V127-L143 HydrophobicContact CB-CD1 4.18Å; V127-L143 HydrophobicContact CB-CD2 4.06Å; V127-L143 HydrophobicContact CG1-CD1 3.71Å; V127-L143 HydrophobicContact CG1-CD2 4.29Å; V127-L143 HydrophobicContact CG2-CD2 4.02Å; H141-L143 HydrophobicContact CB-CD2 4.25Å; L143-V145 PolarHBondContact O-N 2.89Å; L143-R162 HydrophobicContact CD2-CG 4.19Å; L143-Y216 CarbonylContact O-C 3.36Å; L143-Y216 VanDerWaalsContact O-CA 3.28Å; L143-Y216 WeakPolarHBondContact O-CA 3.22Å; L143-L217 PolarHBondContact N-O 3.13Å; L143-L217 PolarHBondContact O-N 2.88Å; L143-V219 HydrophobicContact CD1-CB 4.2Å; L143-V219 HydrophobicContact CD1-CG2 3.73Å; L143-V219 HydrophobicContact CG-CG2 4.38Å
144	K	89.8	Confident	87.4	Confident	27 Å²	27	44.3 Å²	44.3	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.2	176.5	-175.5	-173	-179.2	-175.7	0	110.6	T125 G161 T163 F214 Y216	T125-K144 WeakPolarHBondContact CB-O 3.45Å; T125-K144 PolarHBondContact OG1-O 3.01Å; K144-G161 PolarHBondContact N-O 2.86Å; K144-T163 HydrophobicContact CD-CG2 4.2Å; K144-F214 HydrophobicContact CD-CD1 4.41Å; K144-F214 HydrophobicContact CD-CG 4.33Å; K144-F214 HydrophobicContact CG-CB 4.14Å; K144-F214 HydrophobicContact CG-CD1 4.41Å; K144-F214 HydrophobicContact CG-CG 4.28Å; K144-F214 VanDerWaalsContact NZ-CE2 3.31Å; K144-Y216 HydrophobicContact CB-CE1 4.27Å
145	V	91.2	Very high	87.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.3	178.8	-179.9	0	0	0	0	110.2	L26 I110 T125 L143 M215 L217	L26-V145 HydrophobicContact CD1-CG2 4.25Å; I110-V145 HydrophobicContact CD1-CB 4.47Å; I110-V145 HydrophobicContact CD1-CG1 3.86Å; I110-V145 HydrophobicContact CD1-CG2 3.8Å; T125-V145 HydrophobicContact CG2-CG2 4.25Å; L143-V145 PolarHBondContact O-N 2.89Å; V145-M215 HydrophobicContact CB-CB 4.06Å; V145-M215 WeakPolarHBondContact CB-O 3.41Å; V145-M215 PolarHBondContact N-O 3.43Å; V145-L217 HydrophobicContact CG2-CB 3.81Å
146	W	89.8	Confident	86.9	Confident	72 Å²	72	51.1 Å²	51.1	27%	0.273	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.3	177	-66.8	83.2	0	0	0	110.2	G123 G124 T159 P160 T163	G123-W146 CarbonylContact C-O 3.58Å; G123-W146 WeakPolarHBondContact CA-O 3.41Å; G124-W146 PolarHBondContact N-O 2.65Å; G124-W146 PolarHBondContact O-N 3.15Å; W146-T159 HydrophobicContact CB-CG2 4.07Å; W146-T159 VanDerWaalsContact CD1-C 3.5Å; W146-T159 VanDerWaalsContact CD1-CA 3.46Å; W146-T159 HydrophobicContact CG-CG2 4.24Å; W146-P160 HydrophobicContact CZ2-CG 3.91Å; W146-P160 PolarHBondContact NE1-O 3.2Å; W146-T163 HydrophobicContact CZ2-CG2 4.28Å
147	P	88.1	Confident	86.7	Confident	62 Å²	62	52.3 Å²	52.3	40%	0.403	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.9	-170.1	28.3	-35	0	0	0	112.3	V149	P147-V149 PolarHBondContact O-N 2.82Å
148	N	86.3	Confident	86.6	Confident	110 Å²	110	58.2 Å²	58.2	59%	0.588	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	23.5	175	-51.9	-62.9	0	0	0	115.7	V122	V122-N148 PolarHBondContact O-N 3.46Å
149	V	90.2	Very high	86.8	Confident	69 Å²	69	55.7 Å²	55.7	42%	0.418	30%	0.299	S	S	.	.			trans	-129.1	139.4	179	-178.3	0	0	0	0	109.1	G123 G124 P147 T159	G123-V149 CarbonylContact C-O 3.59Å; G123-V149 WeakPolarHBondContact CA-O 3.32Å; G124-V149 WeakPolarHBondContact CA-O 3.42Å; G124-V149 PolarHBondContact N-O 2.97Å; P147-V149 PolarHBondContact O-N 2.82Å; V149-T159 HydrophobicContact CB-CG2 4.37Å; V149-T159 HydrophobicContact CG1-CG2 3.77Å
150	E	93.4	Very high	87	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	30%	0.298	S	S	.	.			trans	-74.9	144.2	171.9	-66.2	-177.3	-157.1	0	0	110.8	T109 W111 P121 D152	T109-E150 HydrophobicContact CG2-CB 4.34Å; T109-E150 HydrophobicContact CG2-CG 4.16Å; W111-E150 HydrophobicContact CH2-CG 4.07Å; W111-E150 VanDerWaalsContact CH2-OE1 3.27Å; W111-E150 WeakPolarHBondContact CH2-OE1 3.49Å; W111-E150 HydrophobicContact CZ2-CG 4.33Å; P121-E150 HydrophobicContact CB-CG 3.79Å; P121-E150 HydrophobicContact CG-CG 3.97Å; E150-D152 PolarHBondContact O-N 3.42Å
151	A	91.1	Very high	87	Confident	13 Å²	13	51.7 Å²	51.7	11%	0.107	28%	0.277	C	S	.	.			trans	-66.6	134.1	177.1	0	0	0	0	0	110.6	A107 L108 T109	A107-A151 HydrophobicContact CB-CB 3.75Å; L108-A151 WeakPolarHBondContact O-CB 3.36Å; T109-A151 WeakPolarHBondContact OG1-CB 3.41Å; T109-A151 PolarHBondContact OG1-N 2.89Å
152	D	87.5	Confident	86.7	Confident	31 Å²	31	56.6 Å²	56.6	17%	0.166	29%	0.294	C	S	.	.			trans	-115.9	143.3	-177.6	72.1	-70.8	0	0	0	111.1	T126 E150 S154 T157 K158 T159	T126-D152 WeakPolarHBondContact CB-O 3.24Å; T126-D152 WeakPolarHBondContact CG2-O 3.3Å; T126-D152 PolarHBondContact OG1-O 2.9Å; E150-D152 PolarHBondContact O-N 3.42Å; D152-S154 VanDerWaalsContact C-N 3.35Å; D152-S154 WeakPolarHBondContact OD2-CB 3.47Å; D152-S154 PolarHBondContact OD2-N 2.83Å; D152-S154 PolarHBondContact OD2-OG 3.44Å; D152-T157 PolarHBondContact O-OG1 3.21Å; D152-T157 VanDerWaalsContact O-OG1 3.07Å; D152-T157 PolarHBondContact OD1-OG1 2.83Å; D152-T157 VanDerWaalsContact OD1-OG1 3.08Å; D152-T157 WeakPolarHBondContact OD2-CA 3.28Å; D152-T157 PolarHBondContact OD2-OG1 2.99Å; D152-K158 WeakPolarHBondContact OD1-CB 3.42Å; D152-K158 PolarHBondContact OD1-N 3.17Å; D152-K158 PolarHBondContact OD2-N 3.13Å; D152-T159 PolarHBondContact N-OG1 2.85Å; D152-T159 PolarHBondContact OD1-N 3Å; D152-T159 PolarHBondContact OD1-OG1 3Å
153	G	83.6	Confident	85.5	Confident	5 Å²	5	57.2 Å²	57.2	5%	0.052	30%	0.3	C	S	.	.			trans	-91.8	17.7	175.3	0	0	0	0	0	114.8	G67	G67-G153 WeakPolarHBondContact CA-O 3.38Å; G67-G153 PolarHBondContact N-O 3.11Å
154	S	83.9	Confident	83.6	Confident	40 Å²	40	62.8 Å²	62.8	28%	0.28	34%	0.339	S	S	.	.			trans	-71.5	157.4	-176.1	73.7	0	0	0	0	112.3	D152 P156 T157	D152-S154 VanDerWaalsContact C-N 3.35Å; D152-S154 WeakPolarHBondContact OD2-CB 3.47Å; D152-S154 PolarHBondContact OD2-N 2.83Å; D152-S154 PolarHBondContact OD2-OG 3.44Å; S154-P156 CarbonylContact O-C 3.55Å; S154-P156 VanDerWaalsContact O-C 3.23Å; S154-P156 PolarHBondContact OG-O 2.97Å; S154-T157 WeakPolarHBondContact O-CA 3.48Å; S154-T157 WeakPolarHBondContact O-CB 3.46Å; S154-T157 PolarHBondContact O-N 2.55Å
155	E	79.4	Confident	81.3	Confident	95 Å²	95	64.8 Å²	64.8	44%	0.444	36%	0.356	S	S	.	.	S	Bend	trans	-118.7	104.9	176.5	-61.8	-161.7	149.5	0	0	109.4	Q105	Q105-E155 PolarHBondContact NE2-OE1 2.85Å
156	P	80.2	Confident	78.8	Confident	122 Å²	122	71.9 Å²	71.9	79%	0.792	40%	0.4	S	S	*	.	S	Bend	cis	-80.1	142.1	1.5	32.9	-34.4	0	0	0	113.9	S154	S154-P156 CarbonylContact O-C 3.55Å; S154-P156 VanDerWaalsContact O-C 3.23Å; S154-P156 PolarHBondContact OG-O 2.97Å
157	T	85.3	Confident	76.4	Confident	30 Å²	30	75 Å²	75	18%	0.184	42%	0.421	C	S	.	.			trans	-66.2	141.3	-178.3	176.6	0	0	0	0	111.9	T126 D152 S154 T159 P160	T126-T157 HydrophobicContact CG2-CG2 4.4Å; D152-T157 PolarHBondContact O-OG1 3.21Å; D152-T157 VanDerWaalsContact O-OG1 3.07Å; D152-T157 PolarHBondContact OD1-OG1 2.83Å; D152-T157 VanDerWaalsContact OD1-OG1 3.08Å; D152-T157 WeakPolarHBondContact OD2-CA 3.28Å; D152-T157 PolarHBondContact OD2-OG1 2.99Å; S154-T157 WeakPolarHBondContact O-CA 3.48Å; S154-T157 WeakPolarHBondContact O-CB 3.46Å; S154-T157 PolarHBondContact O-N 2.55Å; T157-T159 VanDerWaalsContact C-N 3.3Å; T157-T159 PolarHBondContact OG1-N 2.81Å; T157-T159 VanDerWaalsContact OG1-N 3.17Å; T157-T159 PolarHBondContact OG1-OG1 3.14Å; T157-P160 HydrophobicContact CG2-CB 3.99Å
158	K	85.4	Confident	74.1	Confident	169 Å²	169	77.3 Å²	77.3	74%	0.735	44%	0.438	S	S	*	.	S	Bend	trans	-79	-16.7	174.6	-61.8	177.8	-177.3	174.2	0	112.3	D152 P160	D152-K158 WeakPolarHBondContact OD1-CB 3.42Å; D152-K158 PolarHBondContact OD1-N 3.17Å; D152-K158 PolarHBondContact OD2-N 3.13Å; K158-P160 WeakPolarHBondContact O-CD 3.12Å
159	T	89.4	Confident	72.3	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.006	45%	0.445	C	S	.	.	S	Bend	trans	-119.8	53.1	-176.2	51.7	0	0	0	0	112.9	T126 W146 V149 D152 T157 G161	T126-T159 PolarHBondContact N-O 2.82Å; T126-T159 PolarHBondContact OG1-OG1 2.8Å; W146-T159 HydrophobicContact CB-CG2 4.07Å; W146-T159 VanDerWaalsContact CD1-C 3.5Å; W146-T159 VanDerWaalsContact CD1-CA 3.46Å; W146-T159 HydrophobicContact CG-CG2 4.24Å; V149-T159 HydrophobicContact CB-CG2 4.37Å; V149-T159 HydrophobicContact CG1-CG2 3.77Å; D152-T159 PolarHBondContact N-OG1 2.85Å; D152-T159 PolarHBondContact OD1-N 3Å; D152-T159 PolarHBondContact OD1-OG1 3Å; T157-T159 VanDerWaalsContact C-N 3.3Å; T157-T159 PolarHBondContact OG1-N 2.81Å; T157-T159 VanDerWaalsContact OG1-N 3.17Å; T157-T159 PolarHBondContact OG1-OG1 3.14Å; T159-G161 PolarHBondContact O-N 2.68Å; T159-G161 VanDerWaalsContact O-N 3.13Å
160	P	88.9	Confident	71.1	Confident	37 Å²	37	79.2 Å²	79.2	24%	0.24	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-65.5	118.7	-175.7	27.8	-34.3	0	0	0	111.4	W146 T157 K158 R162	W146-P160 HydrophobicContact CZ2-CG 3.91Å; W146-P160 PolarHBondContact NE1-O 3.2Å; T157-P160 HydrophobicContact CG2-CB 3.99Å; K158-P160 WeakPolarHBondContact O-CD 3.12Å; P160-R162 VanDerWaalsContact C-N 3.29Å; P160-R162 PolarHBondContact O-N 3.46Å
161	G	81.9	Confident	69.8	Low	4 Å²	4	79.7 Å²	79.7	4%	0.041	44%	0.444	C	S	.	.	S	Bend	trans	-72.3	-22.8	177.6	0	0	0	0	0	113.6	T125 T126 K144 T159	T125-G161 WeakPolarHBondContact OG1-CA 3.27Å; T126-G161 PolarHBondContact O-N 2.9Å; K144-G161 PolarHBondContact N-O 2.86Å; T159-G161 PolarHBondContact O-N 2.68Å; T159-G161 VanDerWaalsContact O-N 3.13Å
162	R	78.6	Confident	68.7	Low	137 Å²	137	80 Å²	80	52%	0.517	44%	0.443	S	S	.	.	S	Bend	trans	-118.1	108.6	171.7	-67.7	-173.7	65.2	140.4	3.4	108.9	V127 H141 L143 P160	V127-R162 HydrophobicContact CG2-CG 4.41Å; H141-R162 PolarHBondContact ND1-NH1 3.39Å; L143-R162 HydrophobicContact CD2-CG 4.19Å; P160-R162 VanDerWaalsContact C-N 3.29Å; P160-R162 PolarHBondContact O-N 3.46Å
163	T	62	Low	67.8	Low	70 Å²	70	81.2 Å²	81.2	43%	0.429	45%	0.454	S	S	.	.			trans	-84.2	129.2	171.8	54.3	0	0	0	0	108.9	K144 W146 S165	K144-T163 HydrophobicContact CD-CG2 4.2Å; W146-T163 HydrophobicContact CZ2-CG2 4.28Å; T163-S165 PolarHBondContact O-N 3.27Å
164	S	49.5	Very low	67.3	Low	117 Å²	117	88 Å²	88	82%	0.818	48%	0.478	S	S	*	.			trans	-78	75	168.5	66.1	0	0	0	0	108	T166	S164-T166 PolarHBondContact O-N 3.48Å; S164-T166 VanDerWaalsContact O-N 3.1Å
165	S	42.2	Very low	66.9	Low	70 Å²	70	87.5 Å²	87.5	49%	0.49	47%	0.472	S	S	.	.			trans	-68.4	110.6	167.4	45.6	0	0	0	0	107.9	T163 L167	T163-S165 PolarHBondContact O-N 3.27Å; S165-L167 PolarHBondContact O-N 2.88Å
166	T	38.3	Very low	66.5	Low	148 Å²	148	85.7 Å²	85.7	91%	0.908	47%	0.473	S	S	*	.			trans	-66.8	17.7	162.9	26.2	0	0	0	0	112.6	S164	S164-T166 PolarHBondContact O-N 3.48Å; S164-T166 VanDerWaalsContact O-N 3.1Å
167	L	39.8	Very low	66.2	Low	139 Å²	139	87 Å²	87	73%	0.728	47%	0.466	S	S	*	.			trans	-92.3	105.3	169.4	-73.3	162.3	0	0	0	107.5	S165 E169	S165-L167 PolarHBondContact O-N 2.88Å; L167-E169 PolarHBondContact O-N 3.44Å
168	S	38.6	Very low	65.9	Low	109 Å²	109	89.6 Å²	89.6	76%	0.762	48%	0.479	S	S	*	.	S	Bend	trans	-38.1	126.1	158.7	44.1	0	0	0	0	111.7
169	E	49.6	Very low	65.5	Low	154 Å²	154	82.5 Å²	82.5	72%	0.72	45%	0.45	S	S	*	.			trans	79.3	59.2	165.7	-53.4	-158.4	134.9	0	0	119.1	L167 R174	L167-E169 PolarHBondContact O-N 3.44Å; E169-R174 IonicContact OE1-NH1 3.3Å
170	D	63.8	Low	64.7	Low	66 Å²	66	88.5 Å²	88.5	35%	0.353	48%	0.476	S	S	.	.			trans	-75.2	115.5	150.3	-171.3	-14.6	0	0	0	108.6	M172 S173 R174	D170-M172 PolarHBondContact O-N 3.02Å; D170-M172 WeakPolarHBondContact OD1-CB 3.46Å; D170-M172 PolarHBondContact OD1-N 3.38Å; D170-S173 PolarHBondContact O-N 3.19Å; D170-S173 VanDerWaalsContact O-N 3.17Å; D170-R174 PolarHBondContact O-N 3.14Å
171	Q	66	Low	64	Low	116 Å²	116	88 Å²	88	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-36.4	-176.3	-73.5	-150.1	-15.5	0	0	111.1	S173 R174 L175	Q171-S173 VanDerWaalsContact C-N 3.35Å; Q171-S173 PolarHBondContact O-N 3.29Å; Q171-R174 PolarHBondContact O-N 3.47Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 VanDerWaalsContact O-CG 3.3Å; Q171-L175 WeakPolarHBondContact O-CG 3.45Å; Q171-L175 PolarHBondContact O-N 3.22Å
172	M	69.6	Low	63.9	Low	21 Å²	21	88.7 Å²	88.7	10%	0.103	48%	0.476	C	S	.	.	H	α-helix	trans	-58.5	-43.3	176.1	-168.8	-178.5	-50.9	0	0	112.5	D170 A176 N205 E208 K209	D170-M172 PolarHBondContact O-N 3.02Å; D170-M172 WeakPolarHBondContact OD1-CB 3.46Å; D170-M172 PolarHBondContact OD1-N 3.38Å; M172-A176 VanDerWaalsContact O-CB 3.28Å; M172-A176 WeakPolarHBondContact O-CB 3.25Å; M172-A176 PolarHBondContact O-N 3.47Å; M172-N205 WeakPolarHBondContact CG-OD1 3.47Å; M172-E208 HydrophobicContact CE-CB 4.04Å; M172-E208 HydrophobicContact CE-CG 4.05Å; M172-E208 PolarHBondContact N-OE2 3.05Å; M172-K209 HydrophobicContact CE-CD 4.48Å; M172-K209 HydrophobicContact CE-CG 3.63Å; M172-K209 HydrophobicContact SD-CG 4.39Å
173	S	67.5	Low	63.6	Low	55 Å²	55	89.4 Å²	89.4	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-69.1	-36.9	178.4	-170.8	0	0	0	0	112.2	D170 Q171 K177	D170-S173 PolarHBondContact O-N 3.19Å; D170-S173 VanDerWaalsContact O-N 3.17Å; Q171-S173 VanDerWaalsContact C-N 3.35Å; Q171-S173 PolarHBondContact O-N 3.29Å; S173-K177 WeakPolarHBondContact O-CG 3.18Å; S173-K177 PolarHBondContact O-N 3.09Å
174	R	72.6	Confident	63.9	Low	148 Å²	148	91.3 Å²	91.3	56%	0.558	48%	0.483	S	S	*	.	H	α-helix	trans	-66.8	-46.8	174.9	-178.7	177.2	172.6	173.8	-5	111.4	E169 D170 Q171 K177 L178	E169-R174 IonicContact OE1-NH1 3.3Å; D170-R174 PolarHBondContact O-N 3.14Å; Q171-R174 PolarHBondContact O-N 3.47Å; R174-K177 PolarHBondContact O-N 3.02Å; R174-L178 HydrophobicContact CG-CD1 4.44Å; R174-L178 WeakPolarHBondContact O-CG 3.43Å; R174-L178 PolarHBondContact O-N 3.48Å; R174-L178 VanDerWaalsContact O-N 3.11Å
175	L	76.2	Confident	64.9	Low	30 Å²	30	88 Å²	88	16%	0.157	47%	0.468	C	S	.	.	H	α-helix	trans	-65.6	-37	178.1	-70.4	178.5	0	0	0	112.4	Q171 L178 T179 I201 I204	Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 VanDerWaalsContact O-CG 3.3Å; Q171-L175 WeakPolarHBondContact O-CG 3.45Å; Q171-L175 PolarHBondContact O-N 3.22Å; L175-L178 PolarHBondContact O-N 2.98Å; L175-T179 WeakPolarHBondContact O-CB 3.44Å; L175-T179 PolarHBondContact O-N 2.69Å; L175-T179 PolarHBondContact O-OG1 3.42Å; L175-I201 HydrophobicContact CB-CG2 4.12Å; L175-I201 HydrophobicContact CD1-CG1 4.31Å; L175-I201 HydrophobicContact CD1-CG2 4.3Å; L175-I201 HydrophobicContact CD2-CD1 4.46Å; L175-I201 HydrophobicContact CD2-CG1 4.03Å; L175-I204 HydrophobicContact CD1-CB 4.26Å; L175-I204 HydrophobicContact CD1-CD1 4.3Å; L175-I204 HydrophobicContact CD1-CG2 3.88Å
176	A	71.3	Confident	66.4	Low	56 Å²	56	90 Å²	90	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-39.7	174	0	0	0	0	0	112.5	M172 K180	M172-A176 VanDerWaalsContact O-CB 3.28Å; M172-A176 WeakPolarHBondContact O-CB 3.25Å; M172-A176 PolarHBondContact O-N 3.47Å; A176-K180 WeakPolarHBondContact O-CB 3.25Å; A176-K180 PolarHBondContact O-N 3.45Å
177	K	73.6	Confident	68.3	Low	151 Å²	151	87.1 Å²	87.1	66%	0.657	45%	0.446	S	S	*	.	H	α-helix	trans	-64.8	-43.5	174.8	-72.9	173.8	-174.5	176.6	0	112.1	S173 R174 K180 A181	S173-K177 WeakPolarHBondContact O-CG 3.18Å; S173-K177 PolarHBondContact O-N 3.09Å; R174-K177 PolarHBondContact O-N 3.02Å; K177-K180 PolarHBondContact O-N 3.26Å; K177-A181 PolarHBondContact O-N 3Å
178	L	78.1	Confident	70.1	Confident	84 Å²	84	86.6 Å²	86.6	44%	0.44	45%	0.448	S	S	.	.	H	α-helix	trans	-66.4	-41.1	177.7	-69.8	172.2	0	0	0	111.9	R174 L175 K180 A181 H182	R174-L178 HydrophobicContact CG-CD1 4.44Å; R174-L178 WeakPolarHBondContact O-CG 3.43Å; R174-L178 PolarHBondContact O-N 3.48Å; R174-L178 VanDerWaalsContact O-N 3.11Å; L175-L178 PolarHBondContact O-N 2.98Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 2.97Å; L178-A181 PolarHBondContact O-N 2.61Å; L178-H182 PolarHBondContact O-N 2.75Å
179	T	77.4	Confident	72	Confident	20 Å²	20	87.6 Å²	87.6	12%	0.123	44%	0.439	C	S	.	.	H	α-helix	trans	-60.2	-40.5	174	-62.6	0	0	0	0	111.5	L175 R183 F198	L175-T179 WeakPolarHBondContact O-CB 3.44Å; L175-T179 PolarHBondContact O-N 2.69Å; L175-T179 PolarHBondContact O-OG1 3.42Å; T179-R183 WeakPolarHBondContact O-CG 3.39Å; T179-R183 PolarHBondContact O-N 3.37Å; T179-F198 HydrophobicContact CG2-CD1 4.43Å; T179-F198 HydrophobicContact CG2-CE1 3.77Å
180	K	73.4	Confident	73.8	Confident	127 Å²	127	82.7 Å²	82.7	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-65.9	-44.8	175.5	-172.7	177.6	176.5	-178.6	0	111.7	A176 K177 L178 H182 R183 Q184	A176-K180 WeakPolarHBondContact O-CB 3.25Å; A176-K180 PolarHBondContact O-N 3.45Å; K177-K180 PolarHBondContact O-N 3.26Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 2.97Å; K180-H182 VanDerWaalsContact C-N 3.32Å; K180-H182 PolarHBondContact O-N 3.41Å; K180-R183 PolarHBondContact O-N 3.44Å; K180-Q184 VanDerWaalsContact CE-NE2 3.34Å; K180-Q184 HydrophobicContact CG-CG 4.4Å; K180-Q184 WeakPolarHBondContact O-CB 3.46Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.45Å; K180-Q184 PolarHBondContact O-N 3.02Å
181	A	74.4	Confident	74.5	Confident	25 Å²	25	85.1 Å²	85.1	21%	0.207	43%	0.433	C	S	.	.	H	α-helix	trans	-60.6	-40.3	176.9	0	0	0	0	0	112.2	K177 L178 Q184 G185 H186 M187	K177-A181 PolarHBondContact O-N 3Å; L178-A181 PolarHBondContact O-N 2.61Å; A181-Q184 PolarHBondContact O-N 2.85Å; A181-G185 PolarHBondContact O-N 2.89Å; A181-H186 HydrophobicContact CB-CB 4.33Å; A181-H186 WeakPolarHBondContact O-CB 3.39Å; A181-H186 PolarHBondContact O-N 2.78Å; A181-M187 HydrophobicContact CB-SD 4.42Å
182	H	79.3	Confident	75.5	Confident	19 Å²	19	88 Å²	88	9%	0.088	44%	0.438	C	S	.	.	H	α-helix	trans	-62.8	-48.4	173	179.6	-81.9	0	0	0	112.6	L178 K180 Q184 G185 M187 D194 F198	L178-H182 PolarHBondContact O-N 2.75Å; K180-H182 VanDerWaalsContact C-N 3.32Å; K180-H182 PolarHBondContact O-N 3.41Å; H182-Q184 VanDerWaalsContact C-N 3.27Å; H182-Q184 PolarHBondContact O-N 2.83Å; H182-G185 PolarHBondContact O-N 2.85Å; H182-M187 HydrophobicContact CB-CB 4.36Å; H182-M187 HydrophobicContact CB-SD 3.92Å; H182-D194 IonicContact CD2-OD1 3.08Å; H182-D194 IonicContact CE1-OD1 3.1Å; H182-D194 IonicContact CE1-OD2 2.97Å; H182-D194 PolarHBondContact CE1-OD2 3.06Å; H182-D194 VanDerWaalsContact CE1-OD2 3.32Å; H182-D194 IonicContact NE2-OD1 3.56Å; H182-D194 PolarHBondContact NE2-OD1 3.34Å; H182-D194 IonicContact NE2-OD2 3.63Å; H182-D194 PolarHBondContact NE2-OD2 3.33Å; H182-F198 AromaticContact CE1-CE2 3.83Å; H182-F198 AromaticContact CE1-CZ 3.76Å; H182-F198 AromaticContact ND1-CE2 3.99Å; H182-F198 AromaticContact ND1-CZ 3.47Å; H182-F198 WeakPolarHBondContact ND1-CZ 3.12Å
183	R	72.1	Confident	76.2	Confident	153 Å²	153	90.6 Å²	90.6	58%	0.577	45%	0.452	S	S	*	.	H	α-helix	trans	-60.7	-36.5	177.8	-74.2	179.7	-175.8	-176.4	2.8	112.7	T179 K180 G185	T179-R183 WeakPolarHBondContact O-CG 3.39Å; T179-R183 PolarHBondContact O-N 3.37Å; K180-R183 PolarHBondContact O-N 3.44Å; R183-G185 PolarHBondContact O-N 2.82Å
184	Q	68.2	Low	77	Confident	110 Å²	110	88.9 Å²	88.9	51%	0.514	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6	176.4	-69.7	177.9	-40.5	0	0	113.2	K180 A181 H182 H186	K180-Q184 VanDerWaalsContact CE-NE2 3.34Å; K180-Q184 HydrophobicContact CG-CG 4.4Å; K180-Q184 WeakPolarHBondContact O-CB 3.46Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.45Å; K180-Q184 PolarHBondContact O-N 3.02Å; A181-Q184 PolarHBondContact O-N 2.85Å; H182-Q184 VanDerWaalsContact C-N 3.27Å; H182-Q184 PolarHBondContact O-N 2.83Å; Q184-H186 VanDerWaalsContact CB-CD2 3.44Å; Q184-H186 WeakPolarHBondContact CB-CD2 3.4Å; Q184-H186 PolarHBondContact O-CD2 3.45Å
185	G	70.1	Confident	77.4	Confident	48 Å²	48	90.8 Å²	90.8	50%	0.495	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	11.9	178.3	0	0	0	0	0	114.6	A181 H182 R183 M187	A181-G185 PolarHBondContact O-N 2.89Å; H182-G185 PolarHBondContact O-N 2.85Å; R183-G185 PolarHBondContact O-N 2.82Å; G185-M187 PolarHBondContact O-N 2.87Å
186	H	74.3	Confident	77.6	Confident	111 Å²	111	94.3 Å²	94.3	51%	0.514	46%	0.464	S	S	.	.	S	Bend	trans	-77.3	-2.8	177.8	-61.4	-140.4	0	0	0	111.8	E5 A181 Q184	E5-H186 IonicContact OE1-CE1 3.25Å; E5-H186 IonicContact OE1-NE2 3.32Å; A181-H186 HydrophobicContact CB-CB 4.33Å; A181-H186 WeakPolarHBondContact O-CB 3.39Å; A181-H186 PolarHBondContact O-N 2.78Å; Q184-H186 VanDerWaalsContact CB-CD2 3.44Å; Q184-H186 WeakPolarHBondContact CB-CD2 3.4Å; Q184-H186 PolarHBondContact O-CD2 3.45Å
187	M	77.9	Confident	78.2	Confident	87 Å²	87	94.7 Å²	94.7	43%	0.429	46%	0.461	S	S	.	.	S	Bend	trans	-130	146.1	177.3	-58.6	176.3	63.1	0	0	109	A181 H182 G185 K189	A181-M187 HydrophobicContact CB-SD 4.42Å; H182-M187 HydrophobicContact CB-CB 4.36Å; H182-M187 HydrophobicContact CB-SD 3.92Å; G185-M187 PolarHBondContact O-N 2.87Å; M187-K189 PolarHBondContact O-N 3.11Å
188	V	78.3	Confident	78.6	Confident	128 Å²	128	90.8 Å²	90.8	78%	0.776	44%	0.444	S	S	*	.			trans	-66.8	124.4	177.2	-179.2	0	0	0	0	109.1	V190	V188-V190 HydrophobicContact CG1-CG2 4.31Å
189	K	78.8	Confident	78.7	Confident	131 Å²	131	94.6 Å²	94.6	57%	0.57	45%	0.453	S	S	*	.			trans	-75.7	126.3	176.8	-64.7	-177.3	179.9	177.2	0	110	M187 D194	M187-K189 PolarHBondContact O-N 3.11Å; K189-D194 WeakPolarHBondContact CA-OD2 3.45Å
190	V	87.8	Confident	78.9	Confident	51 Å²	51	98.5 Å²	98.5	31%	0.309	47%	0.47	S	S	.	.			trans	-132.5	92	176.8	-178.6	0	0	0	0	107.2	V188 W192 L193 D194	V188-V190 HydrophobicContact CG1-CG2 4.31Å; V190-W192 VanDerWaalsContact C-N 3.3Å; V190-W192 HydrophobicContact CG1-CG 4.48Å; V190-W192 PolarHBondContact O-N 2.95Å; V190-L193 HydrophobicContact CB-CB 4.12Å; V190-L193 HydrophobicContact CG1-CB 3.85Å; V190-L193 PolarHBondContact O-N 3.26Å; V190-D194 PolarHBondContact N-OD2 3.26Å; V190-D194 WeakPolarHBondContact O-CB 3.31Å; V190-D194 PolarHBondContact O-N 3.49Å
191	D	78.4	Confident	79.2	Confident	117 Å²	117	93.7 Å²	93.7	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-50.7	-40.7	-164.5	-71.2	-20.8	0	0	0	115.5	R195	D191-R195 WeakPolarHBondContact O-CD 3.49Å; D191-R195 WeakPolarHBondContact O-CG 3.43Å; D191-R195 PolarHBondContact O-N 3.47Å
192	W	85.7	Confident	79.4	Confident	176 Å²	176	99 Å²	99	67%	0.667	47%	0.47	S	S	*	.	H	α-helix	trans	-72.8	-37.7	-179.4	71	-94.6	0	0	0	112.2	V190 L196	V190-W192 VanDerWaalsContact C-N 3.3Å; V190-W192 HydrophobicContact CG1-CG 4.48Å; V190-W192 PolarHBondContact O-N 2.95Å; W192-L196 HydrophobicContact CE3-CD1 4.08Å; W192-L196 HydrophobicContact CZ3-CD1 4.17Å
193	L	84	Confident	79.3	Confident	76 Å²	76	101.9 Å²	101.9	40%	0.398	49%	0.485	S	S	.	.	H	α-helix	trans	-74.1	-46.8	179.5	-178	61.4	0	0	0	109.3	V190 R195 L196 T197	V190-L193 HydrophobicContact CB-CB 4.12Å; V190-L193 HydrophobicContact CG1-CB 3.85Å; V190-L193 PolarHBondContact O-N 3.26Å; L193-R195 VanDerWaalsContact C-N 3.27Å; L193-R195 PolarHBondContact O-N 3.44Å; L193-L196 CarbonylContact O-C 3.06Å; L193-L196 WeakPolarHBondContact O-CA 2.92Å; L193-L196 WeakPolarHBondContact O-CB 3.27Å; L193-L196 PolarHBondContact O-N 3.03Å; L193-T197 PolarHBondContact O-N 3.4Å; L193-T197 PolarHBondContact O-OG1 3.09Å
194	D	84.4	Confident	79.7	Confident	18 Å²	18	97 Å²	97	10%	0.096	47%	0.47	C	S	.	.	H	α-helix	trans	-54.4	-41.1	178	-69.7	-21	0	0	0	112	H182 K189 V190 L196 T197 F198	H182-D194 IonicContact CD2-OD1 3.08Å; H182-D194 IonicContact CE1-OD1 3.1Å; H182-D194 IonicContact CE1-OD2 2.97Å; H182-D194 PolarHBondContact CE1-OD2 3.06Å; H182-D194 VanDerWaalsContact CE1-OD2 3.32Å; H182-D194 IonicContact NE2-OD1 3.56Å; H182-D194 PolarHBondContact NE2-OD1 3.34Å; H182-D194 IonicContact NE2-OD2 3.63Å; H182-D194 PolarHBondContact NE2-OD2 3.33Å; K189-D194 WeakPolarHBondContact CA-OD2 3.45Å; V190-D194 PolarHBondContact N-OD2 3.26Å; V190-D194 WeakPolarHBondContact O-CB 3.31Å; V190-D194 PolarHBondContact O-N 3.49Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.72Å; D194-T197 VanDerWaalsContact CA-OG1 3.32Å; D194-T197 WeakPolarHBondContact CA-OG1 3.49Å; D194-T197 PolarHBondContact O-N 3.29Å; D194-T197 PolarHBondContact O-OG1 2.87Å; D194-F198 HydrophobicContact CB-CD2 4.23Å; D194-F198 HydrophobicContact CB-CE2 4.03Å; D194-F198 WeakPolarHBondContact O-CB 3.38Å; D194-F198 WeakPolarHBondContact O-CD2 3.44Å; D194-F198 WeakPolarHBondContact O-CG 3.28Å; D194-F198 PolarHBondContact O-N 3.13Å
195	R	81	Confident	80.1	Confident	189 Å²	189	93 Å²	93	71%	0.713	45%	0.452	S	S	*	.	H	α-helix	trans	-62.6	-38.4	174.8	-75.3	172.6	-171.7	-165.5	4.1	112.8	D191 L193 R199	D191-R195 WeakPolarHBondContact O-CD 3.49Å; D191-R195 WeakPolarHBondContact O-CG 3.43Å; D191-R195 PolarHBondContact O-N 3.47Å; L193-R195 VanDerWaalsContact C-N 3.27Å; L193-R195 PolarHBondContact O-N 3.44Å; R195-R199 WeakPolarHBondContact O-CB 3.13Å; R195-R199 PolarHBondContact O-N 3.42Å
196	L	81.8	Confident	80.3	Confident	103 Å²	103	94.2 Å²	94.2	54%	0.539	44%	0.444	S	S	.	.	H	α-helix	trans	-73.3	-44.8	176.9	-69.1	169.7	0	0	0	111	W192 L193 D194 R199 E200	W192-L196 HydrophobicContact CE3-CD1 4.08Å; W192-L196 HydrophobicContact CZ3-CD1 4.17Å; L193-L196 CarbonylContact O-C 3.06Å; L193-L196 WeakPolarHBondContact O-CA 2.92Å; L193-L196 WeakPolarHBondContact O-CB 3.27Å; L193-L196 PolarHBondContact O-N 3.03Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.72Å; L196-R199 PolarHBondContact O-N 2.95Å; L196-E200 PolarHBondContact O-N 2.92Å
197	T	83.1	Confident	80.4	Confident	64 Å²	64	92.2 Å²	92.2	39%	0.393	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-42.6	178.4	15.1	0	0	0	0	112.3	L193 D194 R199 E200 I201	L193-T197 PolarHBondContact O-N 3.4Å; L193-T197 PolarHBondContact O-OG1 3.09Å; D194-T197 VanDerWaalsContact CA-OG1 3.32Å; D194-T197 WeakPolarHBondContact CA-OG1 3.49Å; D194-T197 PolarHBondContact O-N 3.29Å; D194-T197 PolarHBondContact O-OG1 2.87Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 3.42Å; T197-E200 PolarHBondContact O-N 3.49Å; T197-I201 WeakPolarHBondContact O-CB 3.39Å; T197-I201 WeakPolarHBondContact O-CD1 3.34Å; T197-I201 WeakPolarHBondContact O-CG1 3.38Å; T197-I201 PolarHBondContact O-N 2.97Å
198	F	81.9	Confident	80.3	Confident	69 Å²	69	90.9 Å²	90.9	30%	0.303	44%	0.436	S	S	.	.	H	α-helix	trans	-64.7	-36.7	176.9	-73.7	-49.8	0	0	0	112.5	T179 H182 D194 I201 E202	T179-F198 HydrophobicContact CG2-CD1 4.43Å; T179-F198 HydrophobicContact CG2-CE1 3.77Å; H182-F198 AromaticContact CE1-CE2 3.83Å; H182-F198 AromaticContact CE1-CZ 3.76Å; H182-F198 AromaticContact ND1-CE2 3.99Å; H182-F198 AromaticContact ND1-CZ 3.47Å; H182-F198 WeakPolarHBondContact ND1-CZ 3.12Å; D194-F198 HydrophobicContact CB-CD2 4.23Å; D194-F198 HydrophobicContact CB-CE2 4.03Å; D194-F198 WeakPolarHBondContact O-CB 3.38Å; D194-F198 WeakPolarHBondContact O-CD2 3.44Å; D194-F198 WeakPolarHBondContact O-CG 3.28Å; D194-F198 PolarHBondContact O-N 3.13Å; F198-I201 HydrophobicContact CD1-CD1 4.31Å; F198-I201 PolarHBondContact O-N 3.47Å; F198-E202 WeakPolarHBondContact O-CB 3.36Å; F198-E202 PolarHBondContact O-N 2.83Å
199	R	80.3	Confident	80.2	Confident	164 Å²	164	85.2 Å²	85.2	62%	0.619	40%	0.401	S	S	*	.	H	α-helix	trans	-64.2	-43	173.2	-178.4	178	175.4	147.6	0.6	111.5	R195 L196 T197 E202 M203	R195-R199 WeakPolarHBondContact O-CB 3.13Å; R195-R199 PolarHBondContact O-N 3.42Å; L196-R199 PolarHBondContact O-N 2.95Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 3.42Å; R199-E202 PolarHBondContact O-N 2.74Å; R199-M203 WeakPolarHBondContact O-CG 3.39Å; R199-M203 PolarHBondContact O-N 3.49Å
200	E	81.5	Confident	79.9	Confident	102 Å²	102	85.8 Å²	85.8	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-65.7	-41.2	177.6	-153.9	64.8	-158.7	0	0	111.7	L196 T197 E202 M203 I204	L196-E200 PolarHBondContact O-N 2.92Å; T197-E200 PolarHBondContact O-N 3.49Å; E200-E202 VanDerWaalsContact C-N 3.32Å; E200-E202 PolarHBondContact O-N 2.91Å; E200-M203 PolarHBondContact O-N 3.49Å; E200-M203 WeakPolarHBondContact OE2-CE 3.42Å; E200-I204 HydrophobicContact CG-CD1 4.3Å; E200-I204 VanDerWaalsContact O-CG1 3.27Å; E200-I204 WeakPolarHBondContact O-CG1 3.32Å; E200-I204 PolarHBondContact O-N 3.38Å
201	I	81	Confident	79.2	Confident	27 Å²	27	87.8 Å²	87.8	14%	0.138	42%	0.416	C	S	.	.	H	α-helix	trans	-60.6	-42.3	174.9	-70.4	166.3	0	0	0	111	L175 T197 F198 I204 N205	L175-I201 HydrophobicContact CB-CG2 4.12Å; L175-I201 HydrophobicContact CD1-CG1 4.31Å; L175-I201 HydrophobicContact CD1-CG2 4.3Å; L175-I201 HydrophobicContact CD2-CD1 4.46Å; L175-I201 HydrophobicContact CD2-CG1 4.03Å; T197-I201 WeakPolarHBondContact O-CB 3.39Å; T197-I201 WeakPolarHBondContact O-CD1 3.34Å; T197-I201 WeakPolarHBondContact O-CG1 3.38Å; T197-I201 PolarHBondContact O-N 2.97Å; F198-I201 HydrophobicContact CD1-CD1 4.31Å; F198-I201 PolarHBondContact O-N 3.47Å; I201-I204 PolarHBondContact O-N 3.2Å; I201-N205 WeakPolarHBondContact O-CB 3.4Å; I201-N205 VanDerWaalsContact O-CG 3.28Å; I201-N205 PolarHBondContact O-N 3.15Å
202	E	77.8	Confident	79	Confident	135 Å²	135	83.5 Å²	83.5	63%	0.631	40%	0.395	S	S	*	.	H	α-helix	trans	-62.8	-45.8	176.2	-171.7	176.1	-164	0	0	111.4	F198 R199 E200 I204 N205 E206	F198-E202 WeakPolarHBondContact O-CB 3.36Å; F198-E202 PolarHBondContact O-N 2.83Å; R199-E202 PolarHBondContact O-N 2.74Å; E200-E202 VanDerWaalsContact C-N 3.32Å; E200-E202 PolarHBondContact O-N 2.91Å; E202-I204 PolarHBondContact O-N 3.02Å; E202-N205 PolarHBondContact O-N 3.41Å; E202-E206 WeakPolarHBondContact O-CB 3.4Å; E202-E206 PolarHBondContact O-N 3.33Å
203	M	77.6	Confident	78.5	Confident	80 Å²	80	82.3 Å²	82.3	39%	0.394	40%	0.401	S	S	.	.	H	α-helix	trans	-63.6	-40.9	177.6	-69.7	-167.5	-51.6	0	0	112.7	R199 E200 E206 S207	R199-M203 WeakPolarHBondContact O-CG 3.39Å; R199-M203 PolarHBondContact O-N 3.49Å; E200-M203 PolarHBondContact O-N 3.49Å; E200-M203 WeakPolarHBondContact OE2-CE 3.42Å; M203-E206 PolarHBondContact O-N 3Å; M203-S207 WeakPolarHBondContact O-CB 3.4Å; M203-S207 PolarHBondContact O-N 3.06Å; M203-S207 PolarHBondContact O-OG 2.69Å
204	I	79.6	Confident	78.3	Confident	51 Å²	51	81.6 Å²	81.6	26%	0.262	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-51.8	176.6	-69	165.4	0	0	0	109.9	L175 E200 I201 E202 E206 S207 E208	L175-I204 HydrophobicContact CD1-CB 4.26Å; L175-I204 HydrophobicContact CD1-CD1 4.3Å; L175-I204 HydrophobicContact CD1-CG2 3.88Å; E200-I204 HydrophobicContact CG-CD1 4.3Å; E200-I204 VanDerWaalsContact O-CG1 3.27Å; E200-I204 WeakPolarHBondContact O-CG1 3.32Å; E200-I204 PolarHBondContact O-N 3.38Å; I201-I204 PolarHBondContact O-N 3.2Å; E202-I204 PolarHBondContact O-N 3.02Å; I204-E206 VanDerWaalsContact C-N 3.31Å; I204-E206 PolarHBondContact O-N 3.47Å; I204-S207 PolarHBondContact O-N 3.03Å; I204-S207 PolarHBondContact O-OG 2.83Å; I204-E208 PolarHBondContact O-N 3.04Å
205	N	76.6	Confident	78.4	Confident	26 Å²	26	81.3 Å²	81.3	14%	0.139	39%	0.394	C	S	.	.	H	α-helix	trans	-59.8	-41.3	179.5	-73.4	-8.3	0	0	0	111.9	M172 I201 E202 E208 K209	M172-N205 WeakPolarHBondContact CG-OD1 3.47Å; I201-N205 WeakPolarHBondContact O-CB 3.4Å; I201-N205 VanDerWaalsContact O-CG 3.28Å; I201-N205 PolarHBondContact O-N 3.15Å; E202-N205 PolarHBondContact O-N 3.41Å; N205-E208 PolarHBondContact O-N 3.1Å; N205-K209 WeakPolarHBondContact O-CB 3.43Å; N205-K209 VanDerWaalsContact O-CG 3.23Å; N205-K209 WeakPolarHBondContact O-CG 3.2Å; N205-K209 PolarHBondContact O-N 2.49Å
206	E	74.2	Confident	78.8	Confident	73 Å²	73	74.3 Å²	74.3	34%	0.341	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-41.9	178.1	-172.6	175.9	-157.5	0	0	111.8	E202 M203 I204 R210	E202-E206 WeakPolarHBondContact O-CB 3.4Å; E202-E206 PolarHBondContact O-N 3.33Å; M203-E206 PolarHBondContact O-N 3Å; I204-E206 VanDerWaalsContact C-N 3.31Å; I204-E206 PolarHBondContact O-N 3.47Å; E206-R210 VanDerWaalsContact CD-NH2 3.3Å; E206-R210 WeakPolarHBondContact O-CB 3.26Å; E206-R210 VanDerWaalsContact O-CG 3.28Å; E206-R210 WeakPolarHBondContact O-CG 3.31Å; E206-R210 PolarHBondContact O-N 3.08Å; E206-R210 IonicContact OE1-CZ 3.41Å; E206-R210 IonicContact OE1-NE 3.62Å; E206-R210 IonicContact OE1-NH2 2.65Å; E206-R210 PolarHBondContact OE1-NH2 3.01Å; E206-R210 IonicContact OE2-NH2 3.82Å
207	S	76.8	Confident	79.3	Confident	70 Å²	70	69.4 Å²	69.4	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-41.6	177.3	75	0	0	0	0	112.3	M203 I204 R210 S211	M203-S207 WeakPolarHBondContact O-CB 3.4Å; M203-S207 PolarHBondContact O-N 3.06Å; M203-S207 PolarHBondContact O-OG 2.69Å; I204-S207 PolarHBondContact O-N 3.03Å; I204-S207 PolarHBondContact O-OG 2.83Å; S207-R210 PolarHBondContact O-N 2.99Å; S207-S211 PolarHBondContact O-N 3.24Å
208	E	75.9	Confident	79.6	Confident	58 Å²	58	67.8 Å²	67.8	27%	0.271	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-44.4	-179.6	-168.9	164.8	-156.4	0	0	110.9	M172 I204 N205 R210 S211 S212	M172-E208 HydrophobicContact CE-CB 4.04Å; M172-E208 HydrophobicContact CE-CG 4.05Å; M172-E208 PolarHBondContact N-OE2 3.05Å; I204-E208 PolarHBondContact O-N 3.04Å; N205-E208 PolarHBondContact O-N 3.1Å; E208-R210 VanDerWaalsContact C-N 3.35Å; E208-R210 PolarHBondContact O-N 3.35Å; E208-S211 PolarHBondContact O-N 2.92Å; E208-S211 VanDerWaalsContact O-N 3.15Å; E208-S211 PolarHBondContact O-OG 3.23Å; E208-S212 PolarHBondContact O-N 3.16Å
209	K	76.3	Confident	80.1	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.043	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-39.4	173.8	-70.2	172.6	-173.9	-177.7	0	112.7	E27 D142 M172 N205 S211 S212 Y216	E27-K209 HydrophobicContact CB-CD 4.17Å; E27-K209 WeakPolarHBondContact OE2-CD 3.41Å; E27-K209 IonicContact OE2-NZ 2.7Å; E27-K209 PolarHBondContact OE2-NZ 3.06Å; D142-K209 IonicContact OD1-NZ 3Å; D142-K209 PolarHBondContact OD1-NZ 3.29Å; D142-K209 VanDerWaalsContact OD2-CE 3.26Å; D142-K209 WeakPolarHBondContact OD2-CE 3.4Å; D142-K209 IonicContact OD2-NZ 2.73Å; D142-K209 PolarHBondContact OD2-NZ 3.29Å; M172-K209 HydrophobicContact CE-CD 4.48Å; M172-K209 HydrophobicContact CE-CG 3.63Å; M172-K209 HydrophobicContact SD-CG 4.39Å; N205-K209 WeakPolarHBondContact O-CB 3.43Å; N205-K209 VanDerWaalsContact O-CG 3.23Å; N205-K209 WeakPolarHBondContact O-CG 3.2Å; N205-K209 PolarHBondContact O-N 2.49Å; K209-S211 VanDerWaalsContact C-N 3.3Å; K209-S211 PolarHBondContact O-N 3.22Å; K209-S212 PolarHBondContact O-N 3.43Å; K209-Y216 HydrophobicContact CB-CD2 4.18Å; K209-Y216 HydrophobicContact CD-CG 4.47Å; K209-Y216 HydrophobicContact CG-CD2 3.91Å; K209-Y216 HydrophobicContact CG-CE2 4.37Å; K209-Y216 HydrophobicContact CG-CG 4.17Å
210	R	72.3	Confident	80.7	Confident	143 Å²	143	58.6 Å²	58.6	54%	0.54	30%	0.295	S	S	.	.	H	α-helix	trans	-69.5	-26.2	176.5	-74.7	177.5	-173.9	-175.9	4.2	113.5	K29 E206 S207 E208	K29-R210 WeakPolarHBondContact CE-O 3.28Å; E206-R210 VanDerWaalsContact CD-NH2 3.3Å; E206-R210 WeakPolarHBondContact O-CB 3.26Å; E206-R210 VanDerWaalsContact O-CG 3.28Å; E206-R210 WeakPolarHBondContact O-CG 3.31Å; E206-R210 PolarHBondContact O-N 3.08Å; E206-R210 IonicContact OE1-CZ 3.41Å; E206-R210 IonicContact OE1-NE 3.62Å; E206-R210 IonicContact OE1-NH2 2.65Å; E206-R210 PolarHBondContact OE1-NH2 3.01Å; E206-R210 IonicContact OE2-NH2 3.82Å; S207-R210 PolarHBondContact O-N 2.99Å; E208-R210 VanDerWaalsContact C-N 3.35Å; E208-R210 PolarHBondContact O-N 3.35Å
211	S	72.2	Confident	81.1	Confident	93 Å²	93	53.9 Å²	53.9	65%	0.65	27%	0.273	S	S	*	.	H	α-helix	trans	-83.2	-19	176	74.3	0	0	0	0	113.3	S207 E208 K209	S207-S211 PolarHBondContact O-N 3.24Å; E208-S211 PolarHBondContact O-N 2.92Å; E208-S211 VanDerWaalsContact O-N 3.15Å; E208-S211 PolarHBondContact O-OG 3.23Å; K209-S211 VanDerWaalsContact C-N 3.3Å; K209-S211 PolarHBondContact O-N 3.22Å
212	S	75.1	Confident	81.3	Confident	26 Å²	26	58.2 Å²	58.2	18%	0.182	29%	0.287	C	S	.	.	S	Bend	trans	-73.5	147.3	176.9	-177.3	0	0	0	0	112.2	E208 K209 F214 Y216	E208-S212 PolarHBondContact O-N 3.16Å; K209-S212 PolarHBondContact O-N 3.43Å; S212-F214 PolarHBondContact O-N 3.09Å; S212-F214 PolarHBondContact OG-N 2.88Å; S212-Y216 PolarHBondContact OG-OH 3.42Å
213	N	74.8	Confident	81.4	Confident	152 Å²	152	53 Å²	53	81%	0.813	27%	0.266	S	S	*	.	S	Bend	trans	-78.5	4.7	172.5	-69.2	-24.3	0	0	0	113.1
214	F	80.6	Confident	81.6	Confident	61 Å²	61	50.4 Å²	50.4	27%	0.268	26%	0.255	S	S	.	.	S	Bend	trans	-117.5	154.3	-178.5	-63.7	-81.5	0	0	0	111.6	K144 S212 Y216	K144-F214 HydrophobicContact CD-CD1 4.41Å; K144-F214 HydrophobicContact CD-CG 4.33Å; K144-F214 HydrophobicContact CG-CB 4.14Å; K144-F214 HydrophobicContact CG-CD1 4.41Å; K144-F214 HydrophobicContact CG-CG 4.28Å; K144-F214 VanDerWaalsContact NZ-CE2 3.31Å; S212-F214 PolarHBondContact O-N 3.09Å; S212-F214 PolarHBondContact OG-N 2.88Å; F214-Y216 HydrophobicContact CB-CE2 4.23Å
215	M	87.1	Confident	81.6	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.059	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	151	168.8	-69.2	176.8	-72.8	0	0	110.2	L26 E27 R30 V122 V145	L26-M215 HydrophobicContact CD1-CB 4.06Å; E27-M215 CarbonylContact O-C 3.55Å; E27-M215 WeakPolarHBondContact O-CA 3.49Å; R30-M215 HydrophobicContact CB-SD 4.49Å; V122-M215 HydrophobicContact CG1-CE 3.71Å; V122-M215 HydrophobicContact CG1-SD 4.21Å; V145-M215 HydrophobicContact CB-CB 4.06Å; V145-M215 WeakPolarHBondContact CB-O 3.41Å; V145-M215 PolarHBondContact N-O 3.43Å
216	Y	89.1	Confident	81.5	Confident	42 Å²	42	56 Å²	56	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.2	179.6	-66.8	-95.8	0	0	0	110.2	L26 E27 L143 K144 K209 S212 F214	L26-Y216 WeakPolarHBondContact CA-O 3.32Å; E27-Y216 PolarHBondContact N-O 2.97Å; E27-Y216 PolarHBondContact O-N 2.93Å; L143-Y216 CarbonylContact O-C 3.36Å; L143-Y216 VanDerWaalsContact O-CA 3.28Å; L143-Y216 WeakPolarHBondContact O-CA 3.22Å; K144-Y216 HydrophobicContact CB-CE1 4.27Å; K209-Y216 HydrophobicContact CB-CD2 4.18Å; K209-Y216 HydrophobicContact CD-CG 4.47Å; K209-Y216 HydrophobicContact CG-CD2 3.91Å; K209-Y216 HydrophobicContact CG-CE2 4.37Å; K209-Y216 HydrophobicContact CG-CG 4.17Å; S212-Y216 PolarHBondContact OG-OH 3.42Å; F214-Y216 HydrophobicContact CB-CE2 4.23Å
217	L	91.6	Very high	81.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.1	175.5	-177.4	67.2	0	0	0	109.5	I23 L26 V59 W87 L108 I110 T125 L143 V145 V219	I23-L217 HydrophobicContact CG2-CD1 4.18Å; L26-L217 HydrophobicContact CB-CD1 4.23Å; L26-L217 HydrophobicContact CD1-CB 4.27Å; L26-L217 HydrophobicContact CD1-CD1 4.39Å; V59-L217 HydrophobicContact CG1-CD2 4.28Å; W87-L217 HydrophobicContact CZ3-CD1 4.35Å; L108-L217 HydrophobicContact CB-CD2 4.22Å; L108-L217 HydrophobicContact CD2-CD2 4.11Å; I110-L217 HydrophobicContact CD1-CD2 4.44Å; T125-L217 HydrophobicContact CG2-CD2 4.26Å; L143-L217 PolarHBondContact N-O 3.13Å; L143-L217 PolarHBondContact O-N 2.88Å; V145-L217 HydrophobicContact CG2-CB 3.81Å; L217-V219 HydrophobicContact CD2-CG2 4.16Å; L217-V219 HydrophobicContact CG-CG2 4.12Å
218	M	90.4	Very high	80.8	Confident	30 Å²	30	64.3 Å²	64.3	15%	0.148	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125	174	-173.1	-83	-82.5	0	0	110.1	G24 S25 M140 D142	G24-M218 VanDerWaalsContact CA-CE 3.44Å; G24-M218 WeakPolarHBondContact CA-O 3.45Å; G24-M218 PolarHBondContact N-O 3.38Å; S25-M218 PolarHBondContact O-N 3.28Å; M140-M218 HydrophobicContact CG-SD 4.39Å; D142-M218 WeakPolarHBondContact OD1-CB 3.47Å
219	V	92.2	Very high	80.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.4	177.3	-177.4	0	0	0	0	109.8	L21 K22 I23 L108 H141 L143 L217 F221	L21-V219 HydrophobicContact CB-CG1 4.36Å; K22-V219 WeakPolarHBondContact O-CA 3.46Å; I23-V219 HydrophobicContact CD1-CG2 4.48Å; L108-V219 HydrophobicContact CD2-CG2 4.04Å; H141-V219 PolarHBondContact N-O 2.91Å; H141-V219 PolarHBondContact O-N 3.18Å; L143-V219 HydrophobicContact CD1-CB 4.2Å; L143-V219 HydrophobicContact CD1-CG2 3.73Å; L143-V219 HydrophobicContact CG-CG2 4.38Å; L217-V219 HydrophobicContact CD2-CG2 4.16Å; L217-V219 HydrophobicContact CG-CG2 4.12Å; V219-F221 HydrophobicContact CG1-CE2 4.13Å; V219-F221 HydrophobicContact CG1-CZ 4.3Å
220	E	91.8	Very high	80.7	Confident	39 Å²	39	71.5 Å²	71.5	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.3	175.7	-163.5	-174.9	158	0	0	110.4	L21 K22 W90 G139 M140	L21-E220 WeakPolarHBondContact CA-O 3.32Å; K22-E220 HydrophobicContact CB-CB 3.67Å; K22-E220 HydrophobicContact CD-CB 4.14Å; K22-E220 WeakPolarHBondContact CD-OE2 3.34Å; K22-E220 PolarHBondContact N-O 3.15Å; K22-E220 IonicContact NZ-OE2 3.96Å; K22-E220 PolarHBondContact NZ-OE2 3.12Å; K22-E220 PolarHBondContact O-N 3.22Å; W90-E220 HydrophobicContact CH2-CG 4.4Å; G139-E220 WeakPolarHBondContact O-CA 3.33Å; M140-E220 HydrophobicContact CE-CG 4.5Å; M140-E220 HydrophobicContact CG-CB 4.23Å; M140-E220 HydrophobicContact CG-CG 3.8Å
221	F	90.3	Very high	81.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.009	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.7	172.1	-64.8	-93	0	0	0	110.4	V106 V127 L129 F136 R137 G139 H141 V219 C223	V106-F221 HydrophobicContact CG1-CE1 4.42Å; V106-F221 HydrophobicContact CG1-CZ 4.42Å; V127-F221 HydrophobicContact CG1-CZ 3.98Å; L129-F221 HydrophobicContact CD2-CE1 3.76Å; F136-F221 HydrophobicContact CE1-CB 4.32Å; F136-F221 HydrophobicContact CE1-CD1 4.1Å; F136-F221 HydrophobicContact CZ-CD1 4.06Å; R137-F221 HydrophobicContact CB-CD1 4.25Å; R137-F221 HydrophobicContact CB-CD2 4.01Å; R137-F221 HydrophobicContact CB-CE1 4.47Å; R137-F221 HydrophobicContact CB-CE2 4.24Å; R137-F221 HydrophobicContact CB-CG 4.01Å; R137-F221 HydrophobicContact CB-CZ 4.47Å; R137-F221 WeakPolarHBondContact O-CB 3.3Å; G139-F221 PolarHBondContact N-O 3.06Å; G139-F221 PolarHBondContact O-N 3.29Å; H141-F221 HydrophobicContact CB-CE2 4.48Å; H141-F221 AromaticContact CD2-CD2 3.54Å; H141-F221 AromaticContact CD2-CE2 3.88Å; V219-F221 HydrophobicContact CG1-CE2 4.13Å; V219-F221 HydrophobicContact CG1-CZ 4.3Å; F221-C223 PolarHBondContact O-N 2.98Å
222	R	85.1	Confident	81.8	Confident	118 Å²	118	63 Å²	63	45%	0.445	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.1	135	-176.9	-170.2	68.3	-171.1	-169.2	-1.1	111.8	W90	W90-R222 HydrophobicContact CH2-CB 4.13Å; W90-R222 HydrophobicContact CZ3-CB 3.96Å
223	C	80.5	Confident	82.4	Confident	26 Å²	26	61.8 Å²	61.8	18%	0.176	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-98	136.8	166.3	-175.7	0	0	0	0	109.4	F221	F221-C223 PolarHBondContact O-N 2.98Å
224	V	81.5	Confident	83.1	Confident	26 Å²	26	56 Å²	56	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.4	176.5	-178.7	0	0	0	0	108.1	I10 Y231 I233	I10-V224 HydrophobicContact CD1-CG1 3.86Å; V224-Y231 PolarHBondContact O-N 2.98Å; V224-I233 HydrophobicContact CG2-CD1 3.81Å; V224-I233 HydrophobicContact CG2-CG1 3.99Å
225	K	80.3	Confident	83.4	Confident	134 Å²	134	55.7 Å²	55.7	58%	0.583	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.2	177.2	-57.2	-164.9	178	-153.1	0	109.3	K229 E230	K225-K229 WeakPolarHBondContact CA-O 3.35Å; K225-E230 HydrophobicContact CD-CG 4.29Å; K225-E230 WeakPolarHBondContact CE-OE1 3.47Å; K225-E230 HydrophobicContact CG-CG 4.19Å; K225-E230 IonicContact NZ-OE1 2.99Å; K225-E230 PolarHBondContact NZ-OE1 3.17Å
226	C	73.6	Confident	83.3	Confident	60 Å²	60	60.2 Å²	60.2	41%	0.405	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127	172.7	-166	0	0	0	0	107.7	D228 K229 Y231	C226-D228 PolarHBondContact O-N 2.85Å; C226-K229 PolarHBondContact N-O 3Å; C226-K229 PolarHBondContact O-N 2.7Å; C226-Y231 HydrophobicContact CB-CD2 4.07Å; C226-Y231 HydrophobicContact CB-CE2 3.62Å
227	D	68.9	Low	82.6	Confident	146 Å²	146	63.7 Å²	63.7	78%	0.781	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	52.3	-179.4	-55.7	-30.5	0	0	0	114.1	K229	D227-K229 PolarHBondContact O-N 2.73Å; D227-K229 VanDerWaalsContact O-N 3.08Å
228	D	67.4	Low	81.4	Confident	171 Å²	171	70.3 Å²	70.3	91%	0.914	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	12	-177.8	-77.8	-24.4	0	0	0	116.4	C226	C226-D228 PolarHBondContact O-N 2.85Å
229	K	73.3	Confident	80	Confident	106 Å²	106	73.7 Å²	73.7	46%	0.461	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.8	174.1	-64.3	176.4	-177.6	179.4	0	111.5	K225 C226 D227 Y231	K225-K229 WeakPolarHBondContact CA-O 3.35Å; C226-K229 PolarHBondContact N-O 3Å; C226-K229 PolarHBondContact O-N 2.7Å; D227-K229 PolarHBondContact O-N 2.73Å; D227-K229 VanDerWaalsContact O-N 3.08Å; K229-Y231 HydrophobicContact CB-CE2 4.02Å; K229-Y231 WeakPolarHBondContact O-CD2 3.45Å
230	E	77.5	Confident	78.3	Confident	113 Å²	113	76.3 Å²	76.3	53%	0.528	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.2	175.7	-64.5	-169.4	166.4	0	0	110.2	K225	K225-E230 HydrophobicContact CD-CG 4.29Å; K225-E230 WeakPolarHBondContact CE-OE1 3.47Å; K225-E230 HydrophobicContact CG-CG 4.19Å; K225-E230 IonicContact NZ-OE1 2.99Å; K225-E230 PolarHBondContact NZ-OE1 3.17Å
231	Y	83.3	Confident	76.3	Confident	52 Å²	52	82.6 Å²	82.6	20%	0.204	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.5	178.5	-72	-103	0	0	0	110.8	H8 I10 Q138 V224 C226 K229	H8-Y231 HydrophobicContact CB-CD1 3.68Å; H8-Y231 HydrophobicContact CB-CE1 3.76Å; H8-Y231 HydrophobicContact CB-CG 4.1Å; H8-Y231 WeakPolarHBondContact O-CA 3.41Å; I10-Y231 HydrophobicContact CD1-CD1 3.9Å; I10-Y231 HydrophobicContact CD1-CG 3.79Å; I10-Y231 HydrophobicContact CG1-CD1 3.59Å; I10-Y231 HydrophobicContact CG1-CE1 4.41Å; I10-Y231 HydrophobicContact CG1-CG 3.95Å; Q138-Y231 PolarHBondContact NE2-O 2.89Å; V224-Y231 PolarHBondContact O-N 2.98Å; C226-Y231 HydrophobicContact CB-CD2 4.07Å; C226-Y231 HydrophobicContact CB-CE2 3.62Å; K229-Y231 HydrophobicContact CB-CE2 4.02Å; K229-Y231 WeakPolarHBondContact O-CD2 3.45Å
232	G	83.6	Confident	74.3	Confident	6 Å²	6	89.8 Å²	89.8	6%	0.062	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132	168.4	0	0	0	0	0	111	H8 Y9 I10	H8-G232 PolarHBondContact O-N 2.8Å; Y9-G232 CarbonylContact C-O 3.54Å; Y9-G232 WeakPolarHBondContact CA-O 3.37Å; Y9-G232 WeakPolarHBondContact CB-O 3.4Å; I10-G232 PolarHBondContact N-O 3.45Å
233	I	88.6	Confident	72.5	Confident	0 Å²	0	89.7 Å²	89.7	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.9	172.4	-51.4	170.7	0	0	0	108	I10 L15 Y97 M135 F136 V224	I10-I233 CarbonylContact O-C 3.53Å; I10-I233 WeakPolarHBondContact O-CA 3.42Å; L15-I233 HydrophobicContact CD1-CB 4.32Å; L15-I233 HydrophobicContact CD1-CD1 3.83Å; L15-I233 HydrophobicContact CD1-CG1 3.68Å; L15-I233 HydrophobicContact CD1-CG2 3.82Å; Y97-I233 HydrophobicContact CD1-CD1 3.89Å; Y97-I233 HydrophobicContact CD1-CG2 4.47Å; Y97-I233 HydrophobicContact CE1-CD1 3.47Å; Y97-I233 VanDerWaalsContact CE1-CD1 3.47Å; M135-I233 CarbonylContact C-O 3.58Å; M135-I233 WeakPolarHBondContact CA-O 3.38Å; F136-I233 HydrophobicContact CB-CB 3.72Å; F136-I233 HydrophobicContact CB-CD1 4.46Å; F136-I233 HydrophobicContact CB-CG2 4.15Å; F136-I233 HydrophobicContact CD1-CD1 4.07Å; F136-I233 HydrophobicContact CG-CD1 4.4Å; F136-I233 PolarHBondContact N-O 3.35Å; V224-I233 HydrophobicContact CG2-CD1 3.81Å; V224-I233 HydrophobicContact CG2-CG1 3.99Å
234	V	87.8	Confident	70.5	Confident	31 Å²	31	93.6 Å²	93.6	19%	0.188	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.5	-179.9	177.7	0	0	0	0	108.7	Y9 I10 Y11 S12 M135 Y236	Y9-V234 HydrophobicContact CD2-CB 4.37Å; Y9-V234 HydrophobicContact CD2-CG2 4.11Å; Y9-V234 HydrophobicContact CG-CG2 4.18Å; I10-V234 PolarHBondContact O-N 3.42Å; Y11-V234 CarbonylContact C-O 3.53Å; Y11-V234 WeakPolarHBondContact CA-O 3.45Å; Y11-V234 HydrophobicContact CD1-CB 4.34Å; Y11-V234 HydrophobicContact CD1-CG1 4.46Å; Y11-V234 HydrophobicContact CE1-CG1 4.49Å; S12-V234 PolarHBondContact N-O 3.27Å; M135-V234 HydrophobicContact CG-CG2 4.3Å; V234-Y236 PolarHBondContact O-N 3.03Å
235	Y	87.3	Confident	68.8	Low	55 Å²	55	98.1 Å²	98.1	22%	0.216	52%	0.524	C	S	.	.			trans	-59.7	123.7	174	178	-94.1	0	0	0	110.2	S12 L100 R102 F130 G134 E237	S12-Y235 WeakPolarHBondContact OG-CA 3.48Å; L100-Y235 WeakPolarHBondContact O-CE2 3.35Å; R102-Y235 HydrophobicContact CB-CD1 4.04Å; R102-Y235 HydrophobicContact CB-CD2 4.17Å; R102-Y235 HydrophobicContact CB-CE1 3.88Å; R102-Y235 HydrophobicContact CB-CE2 4Å; R102-Y235 HydrophobicContact CB-CG 4.17Å; R102-Y235 HydrophobicContact CG-CD1 4.31Å; R102-Y235 HydrophobicContact CG-CG 4.44Å; R102-Y235 VanDerWaalsContact N-CE2 3.3Å; F130-Y235 HydrophobicContact CE1-CD2 4.35Å; F130-Y235 HydrophobicContact CE2-CD2 4.13Å; F130-Y235 AromaticContact CZ-CD2 3.96Å; F130-Y235 HydrophobicContact CZ-CD2 3.96Å; G134-Y235 WeakPolarHBondContact O-CB 3.45Å; G134-Y235 PolarHBondContact O-N 3.09Å; Y235-E237 HydrophobicContact CE1-CB 4.39Å; Y235-E237 PolarHBondContact OH-OE2 2.98Å
236	Y	84.5	Confident	67	Low	106 Å²	106	98.9 Å²	98.9	42%	0.416	53%	0.533	S	S	.	.			trans	-152.2	137.9	170.9	-178.2	-103	0	0	0	108.8	Y11 S12 C13 V234 K238	Y11-Y236 HydrophobicContact CD1-CD1 4.25Å; Y11-Y236 HydrophobicContact CD1-CD2 4.46Å; Y11-Y236 AromaticContact CD1-CG 3.77Å; Y11-Y236 HydrophobicContact CD1-CG 3.77Å; Y11-Y236 HydrophobicContact CD2-CD1 4.2Å; Y11-Y236 HydrophobicContact CD2-CG 4.49Å; Y11-Y236 HydrophobicContact CE1-CD2 4.28Å; Y11-Y236 HydrophobicContact CE1-CG 4.01Å; Y11-Y236 HydrophobicContact CG-CD1 4.02Å; Y11-Y236 HydrophobicContact CG-CG 4.02Å; S12-Y236 PolarHBondContact OG-N 2.9Å; S12-Y236 PolarHBondContact OG-O 2.89Å; C13-Y236 WeakPolarHBondContact CB-O 3.47Å; V234-Y236 PolarHBondContact O-N 3.03Å; Y236-K238 HydrophobicContact CE1-CB 4.01Å; Y236-K238 HydrophobicContact CE1-CG 4.16Å
237	E	75.9	Confident	65.6	Low	115 Å²	115	102.4 Å²	102.4	54%	0.537	55%	0.547	S	S	.	.			trans	-124.3	110.9	-177.4	-174.4	171.9	-166.2	0	0	106.3	Y235 D239	Y235-E237 HydrophobicContact CE1-CB 4.39Å; Y235-E237 PolarHBondContact OH-OE2 2.98Å; E237-D239 VanDerWaalsContact C-N 3.32Å; E237-D239 PolarHBondContact O-N 2.77Å
238	K	65.8	Low	64.4	Low	139 Å²	139	102 Å²	102	60%	0.604	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-27.8	-165.7	-165.9	173	177.9	-179.9	0	112.7	Y236	Y236-K238 HydrophobicContact CE1-CB 4.01Å; Y236-K238 HydrophobicContact CE1-CG 4.16Å
239	D	61.9	Low	63.7	Low	102 Å²	102	98.3 Å²	98.3	55%	0.545	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	41.8	-166.9	-56.2	-51.3	0	0	0	112.9	E237 D241 E242	E237-D239 VanDerWaalsContact C-N 3.32Å; E237-D239 PolarHBondContact O-N 2.77Å; D239-D241 PolarHBondContact O-N 3.24Å; D239-E242 HydrophobicContact CB-CB 4.45Å; D239-E242 PolarHBondContact O-N 3.42Å
240	G	55.4	Low	62.6	Low	56 Å²	56	101.9 Å²	101.9	58%	0.577	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-12.7	-176.7	0	0	0	0	0	116.1
241	D	49.2	Very low	61.2	Low	170 Å²	170	105.2 Å²	105.2	91%	0.909	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	1.2	-179	-77.3	-40.5	0	0	0	114.7	D239	D239-D241 PolarHBondContact O-N 3.24Å
242	E	50	Low	59.7	Low	154 Å²	154	110.7 Å²	110.7	72%	0.72	60%	0.601	S	S	*	*			trans	-98.7	122.1	178.4	-70.5	-149.7	165.6	0	0	112.5	D239 S244	D239-E242 HydrophobicContact CB-CB 4.45Å; D239-E242 PolarHBondContact O-N 3.42Å; E242-S244 PolarHBondContact O-N 3.17Å
243	S	45.3	Very low	58.4	Low	116 Å²	116	115.6 Å²	115.6	81%	0.811	63%	0.629	S	S	*	*			trans	-69.1	108.7	175.7	56	0	0	0	0	110.8
244	S	38.9	Very low	56.6	Low	108 Å²	108	125.2 Å²	125.2	76%	0.755	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55.8	129.3	172.7	-62.1	0	0	0	0	111.5	E242 I246	E242-S244 PolarHBondContact O-N 3.17Å; S244-I246 PolarHBondContact O-N 3.42Å
245	P	46.1	Very low	55.1	Low	121 Å²	121	129 Å²	129	79%	0.786	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-71	126	171.6	27.4	-29.9	0	0	0	109.6	L247	P245-L247 PolarHBondContact O-N 3.06Å
246	I	43.3	Very low	53.3	Low	149 Å²	149	132 Å²	132	76%	0.764	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-63.6	120.3	177.5	-60.8	168.7	0	0	0	108.8	S244 T248	S244-I246 PolarHBondContact O-N 3.42Å; I246-T248 PolarHBondContact O-N 2.95Å
247	L	43.8	Very low	52	Low	135 Å²	135	131.1 Å²	131.1	71%	0.707	72%	0.723	S	S	*	*			trans	-69.5	112.1	169.7	-92.7	147.6	0	0	0	109.8	P245 S249 F250	P245-L247 PolarHBondContact O-N 3.06Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 3.33Å; L247-F250 WeakPolarHBondContact O-CE2 3.26Å
248	T	43	Very low	51.1	Low	138 Å²	138	130.8 Å²	130.8	85%	0.847	73%	0.73	S	S	*	*			trans	-86.6	60.8	177.3	47.4	0	0	0	0	112.4	I246	I246-T248 PolarHBondContact O-N 2.95Å
249	S	52.7	Low	50.5	Low	92 Å²	92	130.3 Å²	130.3	64%	0.643	73%	0.73	S	S	*	*			trans	-156.9	114.4	159.6	51.5	0	0	0	0	110.7	L247	L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 3.33Å
250	F	50.1	Low	50.1	Low	182 Å²	182	132.8 Å²	132.8	80%	0.798	74%	0.74	S	S	*	*			trans	-128.7	133.9	168.2	-66.5	-72.2	0	0	0	110.4	L247	L247-F250 WeakPolarHBondContact O-CE2 3.26Å
251	E	48.1	Very low	50	Low	182 Å²	182	136 Å²	136	85%	0.85	75%	0.754	S	S	*	*			trans	-69.9	134.4	158.6	-151.2	172.8	-164.6	0	0	107.6	V253	E251-V253 PolarHBondContact O-N 3.41Å
252	L	53	Low	50.4	Low	168 Å²	168	133.7 Å²	133.7	88%	0.88	74%	0.739	S	S	*	*			trans	-75.2	92.3	-167.5	-142.5	141.8	0	0	0	110.2
253	V	55.7	Low	50.9	Low	108 Å²	108	131.7 Å²	131.7	66%	0.655	73%	0.73	S	S	*	*			trans	-99.4	125.2	176.2	-178.9	0	0	0	0	109.7	E251 V255	E251-V253 PolarHBondContact O-N 3.41Å; V253-V255 HydrophobicContact CG1-CG2 3.85Å; V253-V255 PolarHBondContact O-N 2.64Å
254	K	49.7	Very low	52.1	Low	202 Å²	202	129.5 Å²	129.5	88%	0.878	71%	0.709	S	S	*	*			trans	-79.2	106.9	168.8	-71.8	-177.1	178.8	-179.6	0	108.9
255	V	57.3	Low	53.6	Low	111 Å²	111	129.9 Å²	129.9	67%	0.673	70%	0.702	S	S	*	*			trans	-104.5	136.2	170.9	-171.2	0	0	0	0	107.9	V253 D257	V253-V255 HydrophobicContact CG1-CG2 3.85Å; V253-V255 PolarHBondContact O-N 2.64Å; V255-D257 PolarHBondContact O-N 2.86Å
256	P	50.5	Low	54.9	Low	117 Å²	117	129.5 Å²	129.5	76%	0.76	70%	0.697	S	S	*	*			trans	-59.9	118.6	168.9	-16.1	28.5	0	0	0	108.6	P258	P256-P258 WeakPolarHBondContact O-CD 3.45Å
257	D	56.8	Low	56.1	Low	89 Å²	89	126.6 Å²	126.6	48%	0.476	68%	0.68	S	S	.	*			trans	-79.2	108.3	178.3	-178.2	1.4	0	0	0	109.8	V255 Q259 M260	V255-D257 PolarHBondContact O-N 2.86Å; D257-Q259 PolarHBondContact O-N 3.17Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.25Å; D257-Q259 VanDerWaalsContact OD1-CB 3.31Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.45Å; D257-Q259 PolarHBondContact OD1-N 3.01Å; D257-M260 HydrophobicContact CB-CB 4.25Å; D257-M260 WeakPolarHBondContact O-CB 3.47Å; D257-M260 PolarHBondContact O-N 3.14Å
258	P	56.3	Low	57.4	Low	107 Å²	107	120.7 Å²	120.7	70%	0.695	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-7.8	178.4	25.2	-19.2	0	0	0	112.6	P256	P256-P258 WeakPolarHBondContact O-CD 3.45Å
259	Q	53.9	Low	59	Low	129 Å²	129	121 Å²	121	60%	0.603	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	2	178.5	-57.7	179	-25	0	0	113	D257 S261 M262	D257-Q259 PolarHBondContact O-N 3.17Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.25Å; D257-Q259 VanDerWaalsContact OD1-CB 3.31Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.45Å; D257-Q259 PolarHBondContact OD1-N 3.01Å; Q259-S261 PolarHBondContact O-N 3.46Å; Q259-M262 HydrophobicContact CB-CB 4.37Å; Q259-M262 HydrophobicContact CB-SD 4.47Å; Q259-M262 HydrophobicContact CG-SD 4.18Å; Q259-M262 WeakPolarHBondContact O-CB 3.49Å; Q259-M262 PolarHBondContact O-N 2.77Å
260	M	53.7	Low	60	Low	155 Å²	155	122.2 Å²	122.2	76%	0.764	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-16.1	-177.3	-161.2	175.3	71.7	0	0	114.1	D257	D257-M260 HydrophobicContact CB-CB 4.25Å; D257-M260 WeakPolarHBondContact O-CB 3.47Å; D257-M260 PolarHBondContact O-N 3.14Å
261	S	53.4	Low	61.1	Low	123 Å²	123	114.4 Å²	114.4	86%	0.86	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	8.2	173.9	-53.8	0	0	0	0	113.5	Q259	Q259-S261 PolarHBondContact O-N 3.46Å
262	M	56.5	Low	62.3	Low	122 Å²	122	111.7 Å²	111.7	60%	0.601	59%	0.586	S	S	*	*	S	Bend	trans	-95.4	157.6	173.7	-63	-173.5	73.5	0	0	110.2	Q259 N264	Q259-M262 HydrophobicContact CB-CB 4.37Å; Q259-M262 HydrophobicContact CB-SD 4.47Å; Q259-M262 HydrophobicContact CG-SD 4.18Å; Q259-M262 WeakPolarHBondContact O-CB 3.49Å; Q259-M262 PolarHBondContact O-N 2.77Å; M262-N264 PolarHBondContact O-N 3.44Å
263	E	60.3	Low	63.2	Low	112 Å²	112	108.8 Å²	108.8	52%	0.523	57%	0.571	S	S	.	*			trans	-59.1	126.9	174.5	-172.6	-172.6	172.3	0	0	110.1	L265 S268	E263-L265 PolarHBondContact O-N 3.44Å; E263-S268 WeakPolarHBondContact OE1-CB 3.34Å; E263-S268 PolarHBondContact OE1-OG 3.01Å
264	N	70.7	Confident	63.7	Low	70 Å²	70	106 Å²	106	37%	0.374	56%	0.56	S	S	.	*			trans	-69.2	103.2	175	-176.7	-18.4	0	0	0	109.2	M262 V266 E267 S268	M262-N264 PolarHBondContact O-N 3.44Å; N264-V266 PolarHBondContact O-N 2.85Å; N264-V266 WeakPolarHBondContact OD1-CB 3.32Å; N264-V266 PolarHBondContact OD1-N 2.84Å; N264-E267 HydrophobicContact CB-CB 4.01Å; N264-E267 HydrophobicContact CB-CG 4.14Å; N264-E267 WeakPolarHBondContact ND2-CG 3.45Å; N264-E267 PolarHBondContact ND2-OE1 2.91Å; N264-E267 PolarHBondContact O-N 2.97Å; N264-E267 PolarHBondContact OD1-N 3.02Å; N264-S268 WeakPolarHBondContact O-CB 3.47Å; N264-S268 PolarHBondContact O-N 2.85Å
265	L	71.7	Confident	64.9	Low	116 Å²	116	97.2 Å²	97.2	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-28.9	-177.4	-61.5	178.8	0	0	0	112.8	E263 K269	E263-L265 PolarHBondContact O-N 3.44Å; L265-K269 VanDerWaalsContact O-CB 3.23Å; L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 2.88Å
266	V	72.5	Confident	65.3	Low	112 Å²	112	94.2 Å²	94.2	68%	0.679	51%	0.505	S	S	*	.	H	α-helix	trans	-69.4	-45.9	176.8	179.7	0	0	0	0	109.9	N264 K269 H270	N264-V266 PolarHBondContact O-N 2.85Å; N264-V266 WeakPolarHBondContact OD1-CB 3.32Å; N264-V266 PolarHBondContact OD1-N 2.84Å; V266-K269 PolarHBondContact O-N 3.37Å; V266-H270 WeakPolarHBondContact O-CB 3.48Å; V266-H270 PolarHBondContact O-N 3.28Å
267	E	69	Low	65.5	Low	88 Å²	88	93.9 Å²	93.9	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-44.6	174.8	-74.1	171.4	-162	0	0	111.3	N264 K269 H270 H271 Y310	N264-E267 HydrophobicContact CB-CB 4.01Å; N264-E267 HydrophobicContact CB-CG 4.14Å; N264-E267 WeakPolarHBondContact ND2-CG 3.45Å; N264-E267 PolarHBondContact ND2-OE1 2.91Å; N264-E267 PolarHBondContact O-N 2.97Å; N264-E267 PolarHBondContact OD1-N 3.02Å; E267-K269 VanDerWaalsContact C-N 3.32Å; E267-K269 PolarHBondContact O-N 3.34Å; E267-H270 PolarHBondContact O-N 3.48Å; E267-H270 VanDerWaalsContact O-N 3.16Å; E267-H271 WeakPolarHBondContact O-CB 3.35Å; E267-H271 PolarHBondContact O-N 3.23Å; E267-Y310 HydrophobicContact CB-CD2 4.16Å; E267-Y310 VanDerWaalsContact OE2-CD2 3.28Å; E267-Y310 WeakPolarHBondContact OE2-CD2 3.37Å
268	S	71.3	Confident	65.4	Low	11 Å²	11	101 Å²	101	8%	0.077	52%	0.516	C	S	.	.	H	α-helix	trans	-59.5	-41.3	176.1	-170.3	0	0	0	0	112	E263 N264 K272	E263-S268 WeakPolarHBondContact OE1-CB 3.34Å; E263-S268 PolarHBondContact OE1-OG 3.01Å; N264-S268 WeakPolarHBondContact O-CB 3.47Å; N264-S268 PolarHBondContact O-N 2.85Å; S268-K272 WeakPolarHBondContact O-CB 3.49Å; S268-K272 VanDerWaalsContact O-CG 3.29Å; S268-K272 WeakPolarHBondContact O-CG 3.34Å; S268-K272 PolarHBondContact O-N 3.39Å
269	K	75.6	Confident	65.2	Low	145 Å²	145	99.3 Å²	99.3	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-46.3	173.5	-177.6	-179.8	177.9	-179	0	111.3	L265 V266 E267 K272 L273	L265-K269 VanDerWaalsContact O-CB 3.23Å; L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 2.88Å; V266-K269 PolarHBondContact O-N 3.37Å; E267-K269 VanDerWaalsContact C-N 3.32Å; E267-K269 PolarHBondContact O-N 3.34Å; K269-K272 PolarHBondContact O-N 3.31Å; K269-L273 HydrophobicContact CG-CD1 3.96Å; K269-L273 HydrophobicContact CG-CG 4.48Å; K269-L273 WeakPolarHBondContact O-CB 3.25Å; K269-L273 VanDerWaalsContact O-CG 3.26Å; K269-L273 WeakPolarHBondContact O-CG 3.38Å; K269-L273 PolarHBondContact O-N 3.33Å
270	H	73.7	Confident	65	Low	118 Å²	118	94.8 Å²	94.8	55%	0.546	50%	0.495	S	S	.	.	H	α-helix	trans	-59.1	-48	177.9	179.1	-87.1	0	0	0	111.2	V266 E267 K272 L273 A274	V266-H270 WeakPolarHBondContact O-CB 3.48Å; V266-H270 PolarHBondContact O-N 3.28Å; E267-H270 PolarHBondContact O-N 3.48Å; E267-H270 VanDerWaalsContact O-N 3.16Å; H270-K272 PolarHBondContact O-N 3.19Å; H270-L273 CarbonylContact O-C 3.4Å; H270-L273 PolarHBondContact O-N 3.24Å; H270-L273 VanDerWaalsContact O-N 3.12Å; H270-A274 WeakPolarHBondContact O-CB 3.45Å; H270-A274 PolarHBondContact O-N 3.07Å
271	H	73.6	Confident	64.9	Low	17 Å²	17	93.6 Å²	93.6	8%	0.079	50%	0.499	C	S	.	.	H	α-helix	trans	-56.5	-49	176.9	-172.1	81.1	0	0	0	112.2	E267 L273 A274 R275 Y310 D314	E267-H271 WeakPolarHBondContact O-CB 3.35Å; E267-H271 PolarHBondContact O-N 3.23Å; H271-L273 VanDerWaalsContact C-N 3.3Å; H271-L273 PolarHBondContact O-N 3.27Å; H271-A274 PolarHBondContact O-N 3.32Å; H271-R275 PolarHBondContact CE1-NE 3.13Å; H271-R275 VanDerWaalsContact CE1-NE 3.27Å; H271-R275 PolarHBondContact CE1-NH2 3.35Å; H271-R275 PolarHBondContact NE2-NE 3.41Å; H271-R275 PolarHBondContact NE2-NH1 2.69Å; H271-R275 WeakPolarHBondContact O-CG 3.43Å; H271-R275 PolarHBondContact O-N 3.45Å; H271-R275 VanDerWaalsContact O-N 3.15Å; H271-Y310 AromaticContact CE1-CD1 3.83Å; H271-Y310 AromaticContact ND1-CD1 3.75Å; H271-D314 IonicContact CE1-OD1 2.65Å; H271-D314 PolarHBondContact CE1-OD1 2.96Å; H271-D314 VanDerWaalsContact CE1-OD1 3.26Å; H271-D314 IonicContact CG-OD1 2.85Å; H271-D314 IonicContact ND1-OD1 3.38Å; H271-D314 PolarHBondContact ND1-OD1 3.47Å; H271-D314 IonicContact ND1-OD2 3.48Å; H271-D314 PolarHBondContact ND1-OD2 2.87Å
272	K	73.2	Confident	65.1	Low	125 Å²	125	92.2 Å²	92.2	54%	0.543	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-35.4	175.6	-74.4	171.2	-177.8	165.9	0	112.9	S268 K269 H270 S276	S268-K272 WeakPolarHBondContact O-CB 3.49Å; S268-K272 VanDerWaalsContact O-CG 3.29Å; S268-K272 WeakPolarHBondContact O-CG 3.34Å; S268-K272 PolarHBondContact O-N 3.39Å; K269-K272 PolarHBondContact O-N 3.31Å; H270-K272 PolarHBondContact O-N 3.19Å; K272-S276 PolarHBondContact O-N 3.21Å
273	L	71.5	Confident	65.5	Low	108 Å²	108	87.7 Å²	87.7	57%	0.565	47%	0.467	S	S	*	.	H	α-helix	trans	-75.2	-42.4	178	-72	173.1	0	0	0	112.1	K269 H270 H271 R275 S276	K269-L273 HydrophobicContact CG-CD1 3.96Å; K269-L273 HydrophobicContact CG-CG 4.48Å; K269-L273 WeakPolarHBondContact O-CB 3.25Å; K269-L273 VanDerWaalsContact O-CG 3.26Å; K269-L273 WeakPolarHBondContact O-CG 3.38Å; K269-L273 PolarHBondContact O-N 3.33Å; H270-L273 CarbonylContact O-C 3.4Å; H270-L273 PolarHBondContact O-N 3.24Å; H270-L273 VanDerWaalsContact O-N 3.12Å; H271-L273 VanDerWaalsContact C-N 3.3Å; H271-L273 PolarHBondContact O-N 3.27Å; L273-R275 PolarHBondContact O-N 3.27Å; L273-S276 VanDerWaalsContact O-CB 3.31Å; L273-S276 WeakPolarHBondContact O-CB 3.43Å; L273-S276 PolarHBondContact O-N 2.85Å; L273-S276 VanDerWaalsContact O-N 3.16Å
274	A	67.4	Low	65.8	Low	49 Å²	49	88.2 Å²	88.2	41%	0.405	47%	0.469	S	S	.	.	H	α-helix	trans	-60.9	-32.7	178.5	0	0	0	0	0	112	H270 H271	H270-A274 WeakPolarHBondContact O-CB 3.45Å; H270-A274 PolarHBondContact O-N 3.07Å; H271-A274 PolarHBondContact O-N 3.32Å
275	R	75	Confident	65.8	Low	18 Å²	18	91.3 Å²	91.3	7%	0.068	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.8	179	-61.1	-179.3	178.1	-158.1	-4.3	114.5	H271 L273 L277 D314 W317 C336 E344	H271-R275 PolarHBondContact CE1-NE 3.13Å; H271-R275 VanDerWaalsContact CE1-NE 3.27Å; H271-R275 PolarHBondContact CE1-NH2 3.35Å; H271-R275 PolarHBondContact NE2-NE 3.41Å; H271-R275 PolarHBondContact NE2-NH1 2.69Å; H271-R275 WeakPolarHBondContact O-CG 3.43Å; H271-R275 PolarHBondContact O-N 3.45Å; H271-R275 VanDerWaalsContact O-N 3.15Å; L273-R275 PolarHBondContact O-N 3.27Å; R275-L277 PolarHBondContact O-N 2.96Å; R275-D314 IonicContact CZ-OD1 3.89Å; R275-D314 IonicContact NE-OD1 2.82Å; R275-D314 PolarHBondContact NE-OD1 3.18Å; R275-D314 IonicContact NH2-OD1 2.94Å; R275-D314 PolarHBondContact NH2-OD1 3.49Å; R275-W317 HydrophobicContact CG-CG 4.28Å; R275-C336 VanDerWaalsContact CZ-O 3.31Å; R275-C336 PolarHBondContact NH1-O 2.93Å; R275-C336 PolarHBondContact NH2-O 2.86Å; R275-E344 WeakPolarHBondContact CD-OE1 3.48Å; R275-E344 IonicContact NH1-OE1 3.71Å; R275-E344 IonicContact NH1-OE2 2.78Å; R275-E344 PolarHBondContact NH1-OE2 3.12Å; R275-E344 VanDerWaalsContact NH1-OE2 3.11Å
276	S	65.8	Low	66.2	Low	47 Å²	47	88.4 Å²	88.4	33%	0.329	47%	0.471	S	S	.	.			trans	-62.7	129.5	-177.7	-176.2	0	0	0	0	111.5	K272 L273 R278 S279	K272-S276 PolarHBondContact O-N 3.21Å; L273-S276 VanDerWaalsContact O-CB 3.31Å; L273-S276 WeakPolarHBondContact O-CB 3.43Å; L273-S276 PolarHBondContact O-N 2.85Å; L273-S276 VanDerWaalsContact O-N 3.16Å; S276-R278 PolarHBondContact O-N 3.45Å; S276-S279 PolarHBondContact O-N 3.2Å
277	L	53.7	Low	66.7	Low	111 Å²	111	91.4 Å²	91.4	58%	0.581	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	3.4	-179.7	-72.6	160.8	0	0	0	115.7	R275 Q343	R275-L277 PolarHBondContact O-N 2.96Å; L277-Q343 HydrophobicContact CD1-CB 4.42Å; L277-Q343 HydrophobicContact CD1-CG 4.5Å
278	R	53.8	Low	67.5	Low	239 Å²	239	88.1 Å²	88.1	90%	0.902	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.8	166	-70.1	-170.9	176.6	-144.6	0.8	112.1	S276 G280	S276-R278 PolarHBondContact O-N 3.45Å; R278-G280 PolarHBondContact O-N 3.1Å
279	S	53.4	Low	68.4	Low	70 Å²	70	92.5 Å²	92.5	49%	0.49	48%	0.484	S	S	.	.	S	Bend	trans	-76.1	94	164.2	-57.3	0	0	0	0	108.3	S276	S276-S279 PolarHBondContact O-N 3.2Å
280	G	49.6	Very low	69.1	Low	35 Å²	35	88.7 Å²	88.7	36%	0.361	48%	0.479	S	S	.	.			trans	-69.7	-158.4	-164.4	0	0	0	0	0	117.7	R278 S282	R278-G280 PolarHBondContact O-N 3.1Å; G280-S282 PolarHBondContact O-N 3.39Å
281	P	51.6	Low	69.9	Low	130 Å²	130	86.6 Å²	86.6	84%	0.844	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-59.7	0.2	-176.9	-21.6	31.5	0	0	0	116.9	D283	P281-D283 VanDerWaalsContact C-N 3.26Å; P281-D283 PolarHBondContact O-N 3.44Å
282	S	58	Low	70.6	Confident	94 Å²	94	86.9 Å²	86.9	66%	0.657	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-75.6	-8.4	-175	-54.5	0	0	0	0	114.4	G280 H284	G280-S282 PolarHBondContact O-N 3.39Å; S282-H284 VanDerWaalsContact C-N 3.33Å; S282-H284 PolarHBondContact O-N 2.89Å
283	D	63.3	Low	71.4	Confident	27 Å²	27	86 Å²	86	14%	0.144	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-71.2	-23.3	179.7	-82.3	3.2	0	0	0	114	P281 D285 L286 R320 Y321	P281-D283 VanDerWaalsContact C-N 3.26Å; P281-D283 PolarHBondContact O-N 3.44Å; D283-D285 VanDerWaalsContact C-N 3.28Å; D283-D285 PolarHBondContact O-N 3.38Å; D283-L286 WeakPolarHBondContact O-CB 3.4Å; D283-L286 PolarHBondContact O-N 3.31Å; D283-R320 IonicContact OD2-CZ 3.17Å; D283-R320 IonicContact OD2-NH1 3.92Å; D283-R320 PolarHBondContact OD2-NH1 2.77Å; D283-R320 IonicContact OD2-NH2 3.92Å; D283-R320 PolarHBondContact OD2-NH2 2.93Å; D283-Y321 HydrophobicContact CB-CD2 4.24Å; D283-Y321 HydrophobicContact CB-CE2 4.05Å
284	H	68.3	Low	72.3	Confident	122 Å²	122	84.4 Å²	84.4	57%	0.565	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-66.5	-31.2	-173.8	-169.1	-84.6	0	0	0	112.7	S282 Y321	S282-H284 VanDerWaalsContact C-N 3.33Å; S282-H284 PolarHBondContact O-N 2.89Å; H284-Y321 AromaticContact CD2-CD1 3.74Å; H284-Y321 AromaticContact CD2-CE1 3.93Å
285	D	70.4	Confident	73.5	Confident	135 Å²	135	86.5 Å²	86.5	72%	0.722	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-101.3	5.9	-177.6	-60.3	-30.3	0	0	0	112.9	D283 K287	D283-D285 VanDerWaalsContact C-N 3.28Å; D283-D285 PolarHBondContact O-N 3.38Å; D285-K287 PolarHBondContact O-N 3.43Å
286	L	78.9	Confident	74.3	Confident	55 Å²	55	85.7 Å²	85.7	29%	0.288	47%	0.469	S	S	.	.			trans	-72.3	115.5	-175.7	-126.5	133.7	0	0	0	110.3	D283 F319	D283-L286 WeakPolarHBondContact O-CB 3.4Å; D283-L286 PolarHBondContact O-N 3.31Å; L286-F319 HydrophobicContact CD2-CD1 4.3Å; L286-F319 HydrophobicContact CD2-CE1 3.5Å; L286-F319 HydrophobicContact CD2-CZ 3.84Å
287	K	82.9	Confident	75.4	Confident	175 Å²	175	86.6 Å²	86.6	76%	0.761	47%	0.47	S	S	*	.			trans	-107	133.6	175.6	-66.5	-178.2	-177.1	177.1	0	110.1	D285	D285-K287 PolarHBondContact O-N 3.43Å
288	P	86.9	Confident	77.2	Confident	20 Å²	20	85.7 Å²	85.7	13%	0.13	47%	0.465	C	S	.	.			trans	-67.7	145.1	178.6	27.4	-32.9	0	0	0	110.6	T292 R293 L296 F319 Y322	P288-T292 HydrophobicContact CB-CG2 3.8Å; P288-R293 HydrophobicContact CB-CB 4.28Å; P288-R293 HydrophobicContact CG-CB 4.16Å; P288-L296 HydrophobicContact CB-CD1 4.16Å; P288-L296 HydrophobicContact CG-CD1 4.25Å; P288-F319 VanDerWaalsContact CA-CE1 3.46Å; P288-F319 HydrophobicContact CB-CD1 4.04Å; P288-F319 HydrophobicContact CB-CE1 3.74Å; P288-F319 HydrophobicContact CB-CE2 4.47Å; P288-F319 HydrophobicContact CB-CZ 3.97Å; P288-F319 HydrophobicContact CG-CD1 4.3Å; P288-F319 HydrophobicContact CG-CE1 4.38Å; P288-Y322 HydrophobicContact CG-CD1 3.89Å; P288-Y322 HydrophobicContact CG-CD2 4.4Å; P288-Y322 HydrophobicContact CG-CE1 3.75Å; P288-Y322 HydrophobicContact CG-CE2 4.28Å; P288-Y322 HydrophobicContact CG-CG 4.22Å
289	N	90.1	Very high	78.9	Confident	103 Å²	103	74.3 Å²	74.3	55%	0.551	42%	0.422	S	S	*	.			trans	-70.8	170.2	167	68.1	21.8	0	0	0	110.2	A291 T292 R293	N289-A291 PolarHBondContact O-N 3.28Å; N289-A291 PolarHBondContact OD1-N 2.97Å; N289-T292 PolarHBondContact O-N 3.49Å; N289-T292 WeakPolarHBondContact OD1-CB 3.43Å; N289-T292 PolarHBondContact OD1-N 3.39Å; N289-T292 PolarHBondContact OD1-OG1 2.65Å; N289-R293 WeakPolarHBondContact O-CB 3.48Å; N289-R293 PolarHBondContact O-N 3.25Å
290	A	89.1	Confident	80.6	Confident	65 Å²	65	72 Å²	72	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-55.1	-47.7	-174.5	0	0	0	0	0	112.9	T292 R293 D294	A290-T292 PolarHBondContact O-N 3.17Å; A290-R293 PolarHBondContact O-N 3.07Å; A290-D294 PolarHBondContact O-N 3.42Å
291	A	91.3	Very high	82.4	Confident	73 Å²	73	74.6 Å²	74.6	60%	0.603	42%	0.417	S	S	*	.	H	α-helix	trans	-62.3	-43.6	178.5	0	0	0	0	0	112.6	N289 R293 D294 Q295	N289-A291 PolarHBondContact O-N 3.28Å; N289-A291 PolarHBondContact OD1-N 2.97Å; A291-R293 VanDerWaalsContact C-N 3.35Å; A291-R293 PolarHBondContact O-N 3.49Å; A291-D294 PolarHBondContact O-N 3.22Å; A291-Q295 PolarHBondContact O-N 3.07Å
292	T	89.2	Confident	84.1	Confident	23 Å²	23	70.1 Å²	70.1	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-38.7	178.8	-55.1	0	0	0	0	111.5	P288 N289 A290 D294 Q295 L296 L315 F319	P288-T292 HydrophobicContact CB-CG2 3.8Å; N289-T292 PolarHBondContact O-N 3.49Å; N289-T292 WeakPolarHBondContact OD1-CB 3.43Å; N289-T292 PolarHBondContact OD1-N 3.39Å; N289-T292 PolarHBondContact OD1-OG1 2.65Å; A290-T292 PolarHBondContact O-N 3.17Å; T292-D294 VanDerWaalsContact C-N 3.34Å; T292-Q295 PolarHBondContact O-N 3.36Å; T292-L296 HydrophobicContact CG2-CD1 4.26Å; T292-L296 HydrophobicContact CG2-CG 4.47Å; T292-L296 WeakPolarHBondContact O-CB 3.49Å; T292-L296 WeakPolarHBondContact O-CG 3.3Å; T292-L296 PolarHBondContact O-N 3.44Å; T292-L315 HydrophobicContact CG2-CD1 3.86Å; T292-L315 HydrophobicContact CG2-CD2 4.39Å; T292-L315 HydrophobicContact CG2-CG 4.43Å; T292-F319 HydrophobicContact CG2-CD2 4.08Å; T292-F319 HydrophobicContact CG2-CE2 3.46Å; T292-F319 VanDerWaalsContact CG2-CE2 3.46Å; T292-F319 HydrophobicContact CG2-CZ 3.92Å
293	R	89.9	Confident	85.4	Confident	108 Å²	108	66.5 Å²	66.5	41%	0.408	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-43.9	176	-177.3	-160.7	65.9	176.4	-2.2	110.7	P288 N289 A290 A291 Q295 L296 N297	P288-R293 HydrophobicContact CB-CB 4.28Å; P288-R293 HydrophobicContact CG-CB 4.16Å; N289-R293 WeakPolarHBondContact O-CB 3.48Å; N289-R293 PolarHBondContact O-N 3.25Å; A290-R293 PolarHBondContact O-N 3.07Å; A291-R293 VanDerWaalsContact C-N 3.35Å; A291-R293 PolarHBondContact O-N 3.49Å; R293-Q295 VanDerWaalsContact C-N 3.33Å; R293-L296 PolarHBondContact O-N 2.97Å; R293-N297 VanDerWaalsContact O-CG 3.28Å; R293-N297 PolarHBondContact O-N 3.05Å; R293-N297 PolarHBondContact O-ND2 2.72Å
294	D	90.2	Very high	86.3	Confident	73 Å²	73	65.9 Å²	65.9	39%	0.39	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-38.9	179.6	-61.5	-13.2	0	0	0	110.5	A290 A291 T292 N297 I298	A290-D294 PolarHBondContact O-N 3.42Å; A291-D294 PolarHBondContact O-N 3.22Å; T292-D294 VanDerWaalsContact C-N 3.34Å; D294-N297 PolarHBondContact O-N 3.32Å; D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.49Å; D294-I298 PolarHBondContact O-N 3.45Å
295	Q	91.7	Very high	86.8	Confident	93 Å²	93	62.7 Å²	62.7	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-44.4	171.6	-171.4	178.5	-0.9	0	0	112.7	A291 T292 R293 N297 I298 I299 L315	A291-Q295 PolarHBondContact O-N 3.07Å; T292-Q295 PolarHBondContact O-N 3.36Å; R293-Q295 VanDerWaalsContact C-N 3.33Å; Q295-N297 VanDerWaalsContact C-N 3.33Å; Q295-N297 PolarHBondContact O-N 3.18Å; Q295-I298 WeakPolarHBondContact O-CB 3.47Å; Q295-I298 PolarHBondContact O-N 3.29Å; Q295-I299 HydrophobicContact CG-CD1 4.29Å; Q295-I299 WeakPolarHBondContact O-CG1 3.17Å; Q295-I299 PolarHBondContact O-N 3.38Å; Q295-L315 HydrophobicContact CG-CD2 4.05Å
296	L	91.3	Very high	87.5	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-41.6	175.4	-75.7	171.3	0	0	0	111.5	P288 T292 R293 I298 I299 V300 L315 V316 F319 L323	P288-L296 HydrophobicContact CB-CD1 4.16Å; P288-L296 HydrophobicContact CG-CD1 4.25Å; T292-L296 HydrophobicContact CG2-CD1 4.26Å; T292-L296 HydrophobicContact CG2-CG 4.47Å; T292-L296 WeakPolarHBondContact O-CB 3.49Å; T292-L296 WeakPolarHBondContact O-CG 3.3Å; T292-L296 PolarHBondContact O-N 3.44Å; R293-L296 PolarHBondContact O-N 2.97Å; L296-I298 VanDerWaalsContact C-N 3.3Å; L296-I298 PolarHBondContact O-N 3.41Å; L296-I299 PolarHBondContact O-N 3.29Å; L296-V300 VanDerWaalsContact O-CG2 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.27Å; L296-V300 PolarHBondContact O-N 3.34Å; L296-L315 HydrophobicContact CD2-CD2 4.15Å; L296-L315 HydrophobicContact CD2-CG 4.01Å; L296-L315 HydrophobicContact CG-CD2 4.38Å; L296-L315 HydrophobicContact CG-CG 4.5Å; L296-V316 HydrophobicContact CD2-CG2 4.26Å; L296-F319 HydrophobicContact CD1-CB 3.91Å; L296-F319 HydrophobicContact CD1-CD2 3.99Å; L296-F319 HydrophobicContact CD1-CG 3.99Å; L296-L323 HydrophobicContact CD2-CD1 4.33Å
297	N	90.6	Very high	87.7	Confident	67 Å²	67	66 Å²	66	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-36.1	176.7	-72	-25.7	0	0	0	112.2	R293 D294 Q295 V300 S301	R293-N297 VanDerWaalsContact O-CG 3.28Å; R293-N297 PolarHBondContact O-N 3.05Å; R293-N297 PolarHBondContact O-ND2 2.72Å; D294-N297 PolarHBondContact O-N 3.32Å; Q295-N297 VanDerWaalsContact C-N 3.33Å; Q295-N297 PolarHBondContact O-N 3.18Å; N297-V300 PolarHBondContact O-N 3.34Å; N297-S301 PolarHBondContact O-N 3.1Å; N297-S301 VanDerWaalsContact O-N 3.08Å; N297-S301 PolarHBondContact O-OG 2.94Å
298	I	89.7	Confident	88	Confident	91 Å²	91	58.4 Å²	58.4	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-44.3	172.5	-68.5	164.1	0	0	0	110.5	D294 Q295 L296 V300 S301 Y302	D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.49Å; D294-I298 PolarHBondContact O-N 3.45Å; Q295-I298 WeakPolarHBondContact O-CB 3.47Å; Q295-I298 PolarHBondContact O-N 3.29Å; L296-I298 VanDerWaalsContact C-N 3.3Å; L296-I298 PolarHBondContact O-N 3.41Å; I298-V300 VanDerWaalsContact C-N 3.33Å; I298-V300 PolarHBondContact O-N 3.13Å; I298-S301 PolarHBondContact O-N 2.78Å; I298-S301 PolarHBondContact O-OG 2.98Å; I298-Y302 HydrophobicContact CG2-CD1 4.47Å; I298-Y302 HydrophobicContact CG2-CE1 3.5Å; I298-Y302 VanDerWaalsContact CG2-CE1 3.5Å; I298-Y302 WeakPolarHBondContact O-CD1 3.23Å; I298-Y302 WeakPolarHBondContact O-CE1 3.46Å; I298-Y302 PolarHBondContact O-N 2.96Å
299	I	90.3	Very high	88	Confident	1 Å²	1	61 Å²	61	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-41	177.9	-66.8	164.2	0	0	0	111.2	Q295 L296 S301 Y302 L308 E312 L315 V316	Q295-I299 HydrophobicContact CG-CD1 4.29Å; Q295-I299 WeakPolarHBondContact O-CG1 3.17Å; Q295-I299 PolarHBondContact O-N 3.38Å; L296-I299 PolarHBondContact O-N 3.29Å; I299-S301 VanDerWaalsContact C-N 3.31Å; I299-S301 PolarHBondContact O-N 3.17Å; I299-Y302 HydrophobicContact CB-CE2 4.39Å; I299-Y302 HydrophobicContact CG1-CE2 4.12Å; I299-Y302 HydrophobicContact CG2-CD2 4.45Å; I299-Y302 VanDerWaalsContact O-CB 3.32Å; I299-Y302 WeakPolarHBondContact O-CB 3.44Å; I299-Y302 PolarHBondContact O-N 3.47Å; I299-L308 HydrophobicContact CG2-CD2 3.69Å; I299-E312 HydrophobicContact CD1-CB 3.97Å; I299-E312 HydrophobicContact CD1-CG 3.9Å; I299-E312 HydrophobicContact CG1-CB 4.47Å; I299-E312 HydrophobicContact CG1-CG 4.2Å; I299-L315 HydrophobicContact CD1-CD2 4.15Å; I299-V316 HydrophobicContact CG2-CG2 3.92Å
300	V	89.1	Confident	87.7	Confident	22 Å²	22	60.1 Å²	60.1	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-32.6	178.8	172.6	0	0	0	0	111.8	L296 N297 I298 Y302 K328 A329	L296-V300 VanDerWaalsContact O-CG2 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.27Å; L296-V300 PolarHBondContact O-N 3.34Å; N297-V300 PolarHBondContact O-N 3.34Å; I298-V300 VanDerWaalsContact C-N 3.33Å; I298-V300 PolarHBondContact O-N 3.13Å; V300-Y302 PolarHBondContact O-N 2.87Å; V300-K328 HydrophobicContact CG1-CB 3.76Å; V300-A329 HydrophobicContact CG1-CB 4.38Å; V300-A329 HydrophobicContact CG2-CB 3.68Å
301	S	86.8	Confident	87.5	Confident	88 Å²	88	64.6 Å²	64.6	62%	0.615	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.1	177.5	71	0	0	0	0	114.1	N297 I298 I299	N297-S301 PolarHBondContact O-N 3.1Å; N297-S301 VanDerWaalsContact O-N 3.08Å; N297-S301 PolarHBondContact O-OG 2.94Å; I298-S301 PolarHBondContact O-N 2.78Å; I298-S301 PolarHBondContact O-OG 2.98Å; I299-S301 VanDerWaalsContact C-N 3.31Å; I299-S301 PolarHBondContact O-N 3.17Å
302	Y	88.7	Confident	87.4	Confident	36 Å²	36	62.2 Å²	62.2	14%	0.141	31%	0.312	C	S	.	.	S	Bend	trans	-61.8	142.1	178.9	-70.5	-12.6	0	0	0	113	I298 I299 V300 K306 L308 E312 K332	I298-Y302 HydrophobicContact CG2-CD1 4.47Å; I298-Y302 HydrophobicContact CG2-CE1 3.5Å; I298-Y302 VanDerWaalsContact CG2-CE1 3.5Å; I298-Y302 WeakPolarHBondContact O-CD1 3.23Å; I298-Y302 WeakPolarHBondContact O-CE1 3.46Å; I298-Y302 PolarHBondContact O-N 2.96Å; I299-Y302 HydrophobicContact CB-CE2 4.39Å; I299-Y302 HydrophobicContact CG1-CE2 4.12Å; I299-Y302 HydrophobicContact CG2-CD2 4.45Å; I299-Y302 VanDerWaalsContact O-CB 3.32Å; I299-Y302 WeakPolarHBondContact O-CB 3.44Å; I299-Y302 PolarHBondContact O-N 3.47Å; V300-Y302 PolarHBondContact O-N 2.87Å; Y302-K306 HydrophobicContact CD1-CD 4.01Å; Y302-K306 HydrophobicContact CD2-CD 3.55Å; Y302-K306 HydrophobicContact CD2-CG 4.06Å; Y302-K306 HydrophobicContact CE1-CD 4.29Å; Y302-K306 VanDerWaalsContact CE1-NZ 3.31Å; Y302-K306 HydrophobicContact CE2-CD 3.86Å; Y302-K306 HydrophobicContact CG-CD 3.65Å; Y302-K306 HydrophobicContact CG-CG 4.35Å; Y302-K306 PolarHBondContact OH-NZ 3.31Å; Y302-K306 VanDerWaalsContact OH-NZ 3.1Å; Y302-L308 HydrophobicContact CD2-CD2 3.91Å; Y302-L308 HydrophobicContact CE2-CD2 4.35Å; Y302-E312 WeakPolarHBondContact CE2-OE1 3.3Å; Y302-E312 PolarHBondContact OH-OE1 3.41Å; Y302-K332 WeakPolarHBondContact O-CE 3.47Å; Y302-K332 PolarHBondContact O-NZ 3.41Å
303	P	84.8	Confident	87.4	Confident	19 Å²	19	62.8 Å²	62.8	12%	0.123	31%	0.313	C	S	.	.			trans	-63.3	153.9	175.8	26.5	-33.2	0	0	0	110.8	T305 K306 Q843 L848	P303-T305 PolarHBondContact O-N 3.27Å; P303-K306 HydrophobicContact CG-CB 4.16Å; P303-K306 PolarHBondContact O-N 3.01Å; P303-Q843 VanDerWaalsContact CG-NE2 3.33Å; P303-L848 HydrophobicContact CB-CD1 3.91Å; P303-L848 HydrophobicContact CG-CD1 4.41Å
304	P	81.2	Confident	87.2	Confident	14 Å²	14	58.6 Å²	58.6	9%	0.091	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.4	-179	-28.7	35	0	0	0	114.7	K335 E365 N814 N818	P304-K335 PolarHBondContact O-NZ 3.45Å; P304-E365 HydrophobicContact CB-CG 4.29Å; P304-N814 VanDerWaalsContact CD-OD1 3.28Å; P304-N814 WeakPolarHBondContact CD-OD1 3.44Å; P304-N814 HydrophobicContact CG-CB 4.34Å; P304-N818 WeakPolarHBondContact CB-OD1 3.39Å; P304-N818 WeakPolarHBondContact CG-OD1 3.44Å
305	T	79.7	Confident	87.1	Confident	55 Å²	55	56.6 Å²	56.6	34%	0.337	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.4	-179.3	53.4	0	0	0	0	114.3	P303 Q307 V839 Q843	P303-T305 PolarHBondContact O-N 3.27Å; T305-Q307 PolarHBondContact O-N 3.41Å; T305-V839 HydrophobicContact CG2-CB 4.25Å; T305-V839 HydrophobicContact CG2-CG1 3.43Å; T305-V839 VanDerWaalsContact CG2-CG1 3.43Å; T305-Q843 PolarHBondContact OG1-NE2 3Å; T305-Q843 PolarHBondContact OG1-OE1 3.35Å
306	K	84.5	Confident	87	Confident	81 Å²	81	52.3 Å²	52.3	35%	0.352	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-75.4	120.9	-177.5	-179.4	162.3	173	-178.3	0	109.8	Y302 P303	Y302-K306 HydrophobicContact CD1-CD 4.01Å; Y302-K306 HydrophobicContact CD2-CD 3.55Å; Y302-K306 HydrophobicContact CD2-CG 4.06Å; Y302-K306 HydrophobicContact CE1-CD 4.29Å; Y302-K306 VanDerWaalsContact CE1-NZ 3.31Å; Y302-K306 HydrophobicContact CE2-CD 3.86Å; Y302-K306 HydrophobicContact CG-CD 3.65Å; Y302-K306 HydrophobicContact CG-CG 4.35Å; Y302-K306 PolarHBondContact OH-NZ 3.31Å; Y302-K306 VanDerWaalsContact OH-NZ 3.1Å; P303-K306 HydrophobicContact CG-CB 4.16Å; P303-K306 PolarHBondContact O-N 3.01Å
307	Q	84.8	Confident	86.8	Confident	177 Å²	177	52.9 Å²	52.9	83%	0.827	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-74.3	137.4	171	-66.7	-174.9	-10.1	0	0	109.9	T305	T305-Q307 PolarHBondContact O-N 3.41Å
308	L	87.4	Confident	86.6	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.089	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-85.2	136.3	178.2	-62.3	176	0	0	0	109.8	I299 Y302 E312 Q313 K332	I299-L308 HydrophobicContact CG2-CD2 3.69Å; Y302-L308 HydrophobicContact CD2-CD2 3.91Å; Y302-L308 HydrophobicContact CE2-CD2 4.35Å; L308-E312 WeakPolarHBondContact CA-OE2 3.5Å; L308-E312 HydrophobicContact CB-CB 4.39Å; L308-Q313 HydrophobicContact CB-CG 3.65Å; L308-Q313 HydrophobicContact CD1-CG 4.43Å; L308-Q313 PolarHBondContact O-NE2 3.48Å; L308-K332 HydrophobicContact CD1-CB 4.32Å
309	T	88.7	Confident	86.6	Confident	73 Å²	73	50.8 Å²	50.8	45%	0.448	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-69.3	160.6	173	71.3	0	0	0	0	110.9	E311 E312 Q313	T309-E311 PolarHBondContact O-N 3.33Å; T309-E312 PolarHBondContact N-OE2 3.28Å; T309-E312 PolarHBondContact O-N 3.2Å; T309-E312 VanDerWaalsContact O-N 3.17Å; T309-E312 VanDerWaalsContact OG1-CG 3.28Å; T309-E312 WeakPolarHBondContact OG1-CG 3.17Å; T309-E312 PolarHBondContact OG1-N 3.09Å; T309-Q313 WeakPolarHBondContact O-CB 3.17Å; T309-Q313 VanDerWaalsContact O-CG 3.25Å; T309-Q313 WeakPolarHBondContact O-CG 3.44Å; T309-Q313 PolarHBondContact O-N 3.18Å
310	Y	83.5	Confident	86.6	Confident	85 Å²	85	51.4 Å²	51.4	33%	0.333	26%	0.257	S	S	.	.	H	α-helix	trans	-57.3	-37.8	177.6	-72	-67.7	0	0	0	112.6	E267 H271 Q313 D314	E267-Y310 HydrophobicContact CB-CD2 4.16Å; E267-Y310 VanDerWaalsContact OE2-CD2 3.28Å; E267-Y310 WeakPolarHBondContact OE2-CD2 3.37Å; H271-Y310 AromaticContact CE1-CD1 3.83Å; H271-Y310 AromaticContact ND1-CD1 3.75Å; Y310-Q313 PolarHBondContact O-N 3.01Å; Y310-D314 WeakPolarHBondContact O-CB 3.32Å; Y310-D314 VanDerWaalsContact O-CG 3.25Å; Y310-D314 PolarHBondContact O-N 3.37Å
311	E	84.6	Confident	86.5	Confident	160 Å²	160	53.2 Å²	53.2	75%	0.748	26%	0.262	S	S	*	.	H	α-helix	trans	-64.7	-44.4	176.2	-62.4	-177	170.4	0	0	112.4	T309 Q313 D314 L315	T309-E311 PolarHBondContact O-N 3.33Å; E311-Q313 VanDerWaalsContact C-N 3.34Å; E311-D314 PolarHBondContact O-N 2.95Å; E311-L315 WeakPolarHBondContact O-CB 2.99Å; E311-L315 PolarHBondContact O-N 3.33Å
312	E	89.4	Confident	86.6	Confident	22 Å²	22	52.5 Å²	52.5	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-41.6	176.4	-70.3	171.9	157.2	0	0	111	I299 Y302 L308 T309 L315 V316	I299-E312 HydrophobicContact CD1-CB 3.97Å; I299-E312 HydrophobicContact CD1-CG 3.9Å; I299-E312 HydrophobicContact CG1-CB 4.47Å; I299-E312 HydrophobicContact CG1-CG 4.2Å; Y302-E312 WeakPolarHBondContact CE2-OE1 3.3Å; Y302-E312 PolarHBondContact OH-OE1 3.41Å; L308-E312 WeakPolarHBondContact CA-OE2 3.5Å; L308-E312 HydrophobicContact CB-CB 4.39Å; T309-E312 PolarHBondContact N-OE2 3.28Å; T309-E312 PolarHBondContact O-N 3.2Å; T309-E312 VanDerWaalsContact O-N 3.17Å; T309-E312 VanDerWaalsContact OG1-CG 3.28Å; T309-E312 WeakPolarHBondContact OG1-CG 3.17Å; T309-E312 PolarHBondContact OG1-N 3.09Å; E312-L315 PolarHBondContact O-N 3.13Å; E312-V316 WeakPolarHBondContact O-CG2 3.35Å; E312-V316 PolarHBondContact O-N 3.41Å
313	Q	88.9	Confident	86.7	Confident	35 Å²	35	50.8 Å²	50.8	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.4	-72.9	-179.1	37.8	0	0	111.8	L308 T309 Y310 E311 L315 V316 W317 C336	L308-Q313 HydrophobicContact CB-CG 3.65Å; L308-Q313 HydrophobicContact CD1-CG 4.43Å; L308-Q313 PolarHBondContact O-NE2 3.48Å; T309-Q313 WeakPolarHBondContact O-CB 3.17Å; T309-Q313 VanDerWaalsContact O-CG 3.25Å; T309-Q313 WeakPolarHBondContact O-CG 3.44Å; T309-Q313 PolarHBondContact O-N 3.18Å; Y310-Q313 PolarHBondContact O-N 3.01Å; E311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-V316 PolarHBondContact O-N 3.31Å; Q313-W317 WeakPolarHBondContact O-CB 3.34Å; Q313-W317 PolarHBondContact O-N 3.35Å; Q313-C336 HydrophobicContact CB-CB 3.77Å; Q313-C336 HydrophobicContact CG-CB 3.8Å
314	D	85.2	Confident	86.9	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.112	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-35.8	177.6	-72.1	-17.4	0	0	0	111.9	H271 R275 Y310 E311 W317 K318	H271-D314 IonicContact CE1-OD1 2.65Å; H271-D314 PolarHBondContact CE1-OD1 2.96Å; H271-D314 VanDerWaalsContact CE1-OD1 3.26Å; H271-D314 IonicContact CG-OD1 2.85Å; H271-D314 IonicContact ND1-OD1 3.38Å; H271-D314 PolarHBondContact ND1-OD1 3.47Å; H271-D314 IonicContact ND1-OD2 3.48Å; H271-D314 PolarHBondContact ND1-OD2 2.87Å; R275-D314 IonicContact CZ-OD1 3.89Å; R275-D314 IonicContact NE-OD1 2.82Å; R275-D314 PolarHBondContact NE-OD1 3.18Å; R275-D314 IonicContact NH2-OD1 2.94Å; R275-D314 PolarHBondContact NH2-OD1 3.49Å; Y310-D314 WeakPolarHBondContact O-CB 3.32Å; Y310-D314 VanDerWaalsContact O-CG 3.25Å; Y310-D314 PolarHBondContact O-N 3.37Å; E311-D314 PolarHBondContact O-N 2.95Å; D314-W317 PolarHBondContact O-N 3.44Å; D314-K318 VanDerWaalsContact O-CB 3.3Å; D314-K318 WeakPolarHBondContact O-CB 3.26Å; D314-K318 PolarHBondContact O-N 2.93Å
315	L	88.4	Confident	87.3	Confident	31 Å²	31	55.9 Å²	55.9	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-46.1	174.5	-168.1	66.4	0	0	0	111.8	T292 Q295 L296 I299 E311 E312 Q313 W317 K318 F319	T292-L315 HydrophobicContact CG2-CD1 3.86Å; T292-L315 HydrophobicContact CG2-CD2 4.39Å; T292-L315 HydrophobicContact CG2-CG 4.43Å; Q295-L315 HydrophobicContact CG-CD2 4.05Å; L296-L315 HydrophobicContact CD2-CD2 4.15Å; L296-L315 HydrophobicContact CD2-CG 4.01Å; L296-L315 HydrophobicContact CG-CD2 4.38Å; L296-L315 HydrophobicContact CG-CG 4.5Å; I299-L315 HydrophobicContact CD1-CD2 4.15Å; E311-L315 WeakPolarHBondContact O-CB 2.99Å; E311-L315 PolarHBondContact O-N 3.33Å; E312-L315 PolarHBondContact O-N 3.13Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; L315-W317 VanDerWaalsContact C-N 3.35Å; L315-K318 PolarHBondContact O-N 3.02Å; L315-F319 HydrophobicContact CD1-CD2 4.02Å; L315-F319 HydrophobicContact CD1-CE2 3.8Å; L315-F319 HydrophobicContact CG-CD2 4.41Å; L315-F319 WeakPolarHBondContact O-CD2 3.28Å; L315-F319 PolarHBondContact O-N 2.82Å; L315-F319 VanDerWaalsContact O-N 3.17Å
316	V	89.6	Confident	87.7	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-43.2	175.7	171	0	0	0	0	110.7	L296 I299 E312 Q313 F319 R320 L323 F333	L296-V316 HydrophobicContact CD2-CG2 4.26Å; I299-V316 HydrophobicContact CG2-CG2 3.92Å; E312-V316 WeakPolarHBondContact O-CG2 3.35Å; E312-V316 PolarHBondContact O-N 3.41Å; Q313-V316 PolarHBondContact O-N 3.31Å; V316-F319 CarbonylContact O-C 3.59Å; V316-F319 PolarHBondContact O-N 2.87Å; V316-R320 PolarHBondContact O-N 3.26Å; V316-R320 VanDerWaalsContact O-N 3.11Å; V316-L323 HydrophobicContact CB-CD1 4.39Å; V316-L323 HydrophobicContact CG1-CD1 3.85Å; V316-F333 HydrophobicContact CG1-CB 4.18Å; V316-F333 HydrophobicContact CG1-CD2 4.35Å
317	W	88.1	Confident	88	Confident	14 Å²	14	54.2 Å²	54.2	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-44.1	176.9	-174.9	-98.4	0	0	0	112.1	R275 Q313 D314 L315 F319 R320 F333 V337 E344 Q347	R275-W317 HydrophobicContact CG-CG 4.28Å; Q313-W317 WeakPolarHBondContact O-CB 3.34Å; Q313-W317 PolarHBondContact O-N 3.35Å; D314-W317 PolarHBondContact O-N 3.44Å; L315-W317 VanDerWaalsContact C-N 3.35Å; W317-F319 VanDerWaalsContact C-N 3.34Å; W317-F319 PolarHBondContact O-N 3.09Å; W317-R320 VanDerWaalsContact O-CB 3.31Å; W317-R320 WeakPolarHBondContact O-CB 3.43Å; W317-R320 WeakPolarHBondContact O-CD 3.42Å; W317-R320 WeakPolarHBondContact O-CG 3.43Å; W317-R320 PolarHBondContact O-N 3.21Å; W317-R320 PolarHBondContact O-NH1 2.84Å; W317-F333 AromaticContact CE3-CE2 3.74Å; W317-F333 HydrophobicContact CE3-CE2 3.74Å; W317-F333 HydrophobicContact CE3-CZ 4.4Å; W317-F333 AromaticContact CZ3-CE2 3.83Å; W317-F333 HydrophobicContact CZ3-CE2 3.83Å; W317-F333 HydrophobicContact CZ3-CZ 4.02Å; W317-V337 HydrophobicContact CZ3-CB 4.43Å; W317-V337 HydrophobicContact CZ3-CG1 4.22Å; W317-V337 HydrophobicContact CZ3-CG2 3.96Å; W317-E344 HydrophobicContact CH2-CB 3.76Å; W317-E344 HydrophobicContact CH2-CG 3.89Å; W317-E344 HydrophobicContact CZ2-CB 4.2Å; W317-E344 HydrophobicContact CZ2-CG 3.82Å; W317-Q347 VanDerWaalsContact CZ2-OE1 3.22Å
318	K	86.2	Confident	88.1	Confident	102 Å²	102	51.4 Å²	51.4	44%	0.443	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-42.1	178.3	-176.4	175.7	-178.1	175	0	112.6	D314 L315	D314-K318 VanDerWaalsContact O-CB 3.3Å; D314-K318 WeakPolarHBondContact O-CB 3.26Å; D314-K318 PolarHBondContact O-N 2.93Å; L315-K318 PolarHBondContact O-N 3.02Å
319	F	88.6	Confident	88.3	Confident	12 Å²	12	50.7 Å²	50.7	5%	0.053	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	19	-179	-68.4	-76.1	0	0	0	114.1	L286 P288 T292 L296 L315 V316 W317 Y321 Y322 L323	L286-F319 HydrophobicContact CD2-CD1 4.3Å; L286-F319 HydrophobicContact CD2-CE1 3.5Å; L286-F319 HydrophobicContact CD2-CZ 3.84Å; P288-F319 VanDerWaalsContact CA-CE1 3.46Å; P288-F319 HydrophobicContact CB-CD1 4.04Å; P288-F319 HydrophobicContact CB-CE1 3.74Å; P288-F319 HydrophobicContact CB-CE2 4.47Å; P288-F319 HydrophobicContact CB-CZ 3.97Å; P288-F319 HydrophobicContact CG-CD1 4.3Å; P288-F319 HydrophobicContact CG-CE1 4.38Å; T292-F319 HydrophobicContact CG2-CD2 4.08Å; T292-F319 HydrophobicContact CG2-CE2 3.46Å; T292-F319 VanDerWaalsContact CG2-CE2 3.46Å; T292-F319 HydrophobicContact CG2-CZ 3.92Å; L296-F319 HydrophobicContact CD1-CB 3.91Å; L296-F319 HydrophobicContact CD1-CD2 3.99Å; L296-F319 HydrophobicContact CD1-CG 3.99Å; L315-F319 HydrophobicContact CD1-CD2 4.02Å; L315-F319 HydrophobicContact CD1-CE2 3.8Å; L315-F319 HydrophobicContact CG-CD2 4.41Å; L315-F319 WeakPolarHBondContact O-CD2 3.28Å; L315-F319 PolarHBondContact O-N 2.82Å; L315-F319 VanDerWaalsContact O-N 3.17Å; V316-F319 CarbonylContact O-C 3.59Å; V316-F319 PolarHBondContact O-N 2.87Å; W317-F319 VanDerWaalsContact C-N 3.34Å; W317-F319 PolarHBondContact O-N 3.09Å; F319-Y321 VanDerWaalsContact C-N 3.28Å; F319-Y321 PolarHBondContact O-N 2.96Å; F319-Y321 VanDerWaalsContact O-N 3.15Å; F319-Y322 WeakPolarHBondContact O-CB 3Å; F319-Y322 PolarHBondContact O-N 2.85Å; F319-L323 WeakPolarHBondContact O-CG 3.43Å; F319-L323 PolarHBondContact O-N 3.46Å
320	R	89.5	Confident	88.4	Confident	13 Å²	13	47.2 Å²	47.2	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-49.7	-41.1	-177.2	63.4	-166.1	174.6	-73.4	-2.2	114.6	D283 V316 W317 L323 T324 F333 Q347 L351	D283-R320 IonicContact OD2-CZ 3.17Å; D283-R320 IonicContact OD2-NH1 3.92Å; D283-R320 PolarHBondContact OD2-NH1 2.77Å; D283-R320 IonicContact OD2-NH2 3.92Å; D283-R320 PolarHBondContact OD2-NH2 2.93Å; V316-R320 PolarHBondContact O-N 3.26Å; V316-R320 VanDerWaalsContact O-N 3.11Å; W317-R320 VanDerWaalsContact O-CB 3.31Å; W317-R320 WeakPolarHBondContact O-CB 3.43Å; W317-R320 WeakPolarHBondContact O-CD 3.42Å; W317-R320 WeakPolarHBondContact O-CG 3.43Å; W317-R320 PolarHBondContact O-N 3.21Å; W317-R320 PolarHBondContact O-NH1 2.84Å; R320-L323 PolarHBondContact O-N 3.45Å; R320-T324 PolarHBondContact O-N 3.35Å; R320-T324 VanDerWaalsContact O-N 3.13Å; R320-T324 PolarHBondContact O-OG1 3.45Å; R320-F333 HydrophobicContact CB-CD2 4.09Å; R320-F333 HydrophobicContact CB-CE2 3.67Å; R320-F333 HydrophobicContact CB-CZ 4.45Å; R320-Q347 VanDerWaalsContact NE-NE2 3.16Å; R320-L351 HydrophobicContact CB-CD1 4.09Å; R320-L351 HydrophobicContact CG-CD1 3.85Å
321	Y	88.4	Confident	88.8	Confident	61 Å²	61	43.5 Å²	43.5	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-36.9	178.7	-63	-76.2	0	0	0	112.8	D283 H284 F319 T324 Q347 L351	D283-Y321 HydrophobicContact CB-CD2 4.24Å; D283-Y321 HydrophobicContact CB-CE2 4.05Å; H284-Y321 AromaticContact CD2-CD1 3.74Å; H284-Y321 AromaticContact CD2-CE1 3.93Å; F319-Y321 VanDerWaalsContact C-N 3.28Å; F319-Y321 PolarHBondContact O-N 2.96Å; F319-Y321 VanDerWaalsContact O-N 3.15Å; Y321-T324 WeakPolarHBondContact O-CB 3.39Å; Y321-T324 PolarHBondContact O-N 3.46Å; Y321-T324 PolarHBondContact O-OG1 3.32Å; Y321-Q347 PolarHBondContact OH-NE2 3.07Å; Y321-L351 HydrophobicContact CD1-CD2 3.75Å; Y321-L351 HydrophobicContact CE1-CD2 3.65Å
322	Y	88.3	Confident	89.1	Confident	72 Å²	72	36.2 Å²	36.2	28%	0.282	17%	0.167	S	C	.	.	H	α-helix	trans	-66.5	-42.6	174.1	172.3	-98.3	0	0	0	111.2	P288 F319 T324	P288-Y322 HydrophobicContact CG-CD1 3.89Å; P288-Y322 HydrophobicContact CG-CD2 4.4Å; P288-Y322 HydrophobicContact CG-CE1 3.75Å; P288-Y322 HydrophobicContact CG-CE2 4.28Å; P288-Y322 HydrophobicContact CG-CG 4.22Å; F319-Y322 WeakPolarHBondContact O-CB 3Å; F319-Y322 PolarHBondContact O-N 2.85Å; Y322-T324 PolarHBondContact O-N 3.25Å
323	L	90.3	Very high	89.2	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-69.6	-16.9	-179.8	-66	174.7	0	0	0	113.5	L296 V316 F319 R320 N325 Q326 A329 W355	L296-L323 HydrophobicContact CD2-CD1 4.33Å; V316-L323 HydrophobicContact CB-CD1 4.39Å; V316-L323 HydrophobicContact CG1-CD1 3.85Å; F319-L323 WeakPolarHBondContact O-CG 3.43Å; F319-L323 PolarHBondContact O-N 3.46Å; R320-L323 PolarHBondContact O-N 3.45Å; L323-N325 PolarHBondContact O-N 2.95Å; L323-Q326 PolarHBondContact O-N 2.97Å; L323-A329 HydrophobicContact CB-CB 4.13Å; L323-A329 HydrophobicContact CD2-CB 4.08Å; L323-W355 VanDerWaalsContact C-CZ2 3.48Å; L323-W355 HydrophobicContact CB-CH2 3.75Å; L323-W355 HydrophobicContact CB-CZ2 3.92Å; L323-W355 WeakPolarHBondContact O-CZ2 3.41Å
324	T	90.4	Very high	89.3	Confident	14 Å²	14	33.6 Å²	33.6	9%	0.086	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.4	177.9	-56.3	0	0	0	0	112.6	R320 Y321 Y322 K354 W355 K356	R320-T324 PolarHBondContact O-N 3.35Å; R320-T324 VanDerWaalsContact O-N 3.13Å; R320-T324 PolarHBondContact O-OG1 3.45Å; Y321-T324 WeakPolarHBondContact O-CB 3.39Å; Y321-T324 PolarHBondContact O-N 3.46Å; Y321-T324 PolarHBondContact O-OG1 3.32Å; Y322-T324 PolarHBondContact O-N 3.25Å; T324-K354 HydrophobicContact CG2-CB 4.29Å; T324-K354 WeakPolarHBondContact CG2-O 3.43Å; T324-W355 HydrophobicContact CG2-CB 4.41Å; T324-W355 HydrophobicContact CG2-CD2 4.42Å; T324-W355 HydrophobicContact CG2-CE3 4.36Å; T324-W355 HydrophobicContact CG2-CG 4.47Å; T324-K356 PolarHBondContact O-N 2.83Å
325	N	88.8	Confident	89.5	Confident	126 Å²	126	35.3 Å²	35.3	67%	0.674	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13	176.1	-66.9	-47.9	0	0	0	114.3	L323 K356	L323-N325 PolarHBondContact O-N 2.95Å; N325-K356 WeakPolarHBondContact O-CD 3.45Å
326	Q	89	Confident	89.5	Confident	49 Å²	49	33.9 Å²	33.9	23%	0.229	15%	0.154	C	C	.	.			trans	-100.3	113.9	-179.6	-66.5	-171.6	-12.6	0	0	110.3	L323 K328 A329 W355	L323-Q326 PolarHBondContact O-N 2.97Å; Q326-K328 PolarHBondContact O-N 2.99Å; Q326-A329 HydrophobicContact CB-CB 3.96Å; Q326-A329 PolarHBondContact O-N 2.81Å; Q326-W355 PolarHBondContact O-NE1 3.18Å
327	E	90	Very high	89.4	Confident	52 Å²	52	34.3 Å²	34.3	24%	0.243	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.5	-177.4	66.4	-146.9	169.9	0	0	113.3	A329 L330 K356	E327-A329 PolarHBondContact O-N 3.03Å; E327-L330 PolarHBondContact O-N 2.77Å; E327-K356 HydrophobicContact CB-CD 4.35Å; E327-K356 WeakPolarHBondContact OE2-CE 3.5Å; E327-K356 IonicContact OE2-NZ 3.43Å; E327-K356 PolarHBondContact OE2-NZ 3.24Å
328	K	87.3	Confident	89.3	Confident	118 Å²	118	35.9 Å²	35.9	51%	0.513	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.8	-176.8	-61.7	-171.5	177.7	-173.6	0	114.3	V300 Q326 L330	V300-K328 HydrophobicContact CG1-CB 3.76Å; Q326-K328 PolarHBondContact O-N 2.99Å; K328-L330 VanDerWaalsContact C-N 3.32Å
329	A	90.7	Very high	89.4	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-79.9	-15.7	-179.4	0	0	0	0	0	112.7	V300 L323 Q326 E327 T331 K332 F333 W355	V300-A329 HydrophobicContact CG1-CB 4.38Å; V300-A329 HydrophobicContact CG2-CB 3.68Å; L323-A329 HydrophobicContact CB-CB 4.13Å; L323-A329 HydrophobicContact CD2-CB 4.08Å; Q326-A329 HydrophobicContact CB-CB 3.96Å; Q326-A329 PolarHBondContact O-N 2.81Å; E327-A329 PolarHBondContact O-N 3.03Å; A329-T331 PolarHBondContact O-N 3.21Å; A329-K332 PolarHBondContact O-N 2.95Å; A329-F333 PolarHBondContact O-N 2.84Å; A329-W355 HydrophobicContact CB-CZ2 3.93Å
330	L	92.1	Very high	89.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-44.1	-174.1	-177.5	49	0	0	0	112.8	E327 K328 K332 F333 L334 L352 W355 M358 Y379	E327-L330 PolarHBondContact O-N 2.77Å; K328-L330 VanDerWaalsContact C-N 3.32Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 2.8Å; L330-F333 HydrophobicContact CD1-CD1 4.32Å; L330-F333 PolarHBondContact O-N 3.38Å; L330-L334 HydrophobicContact CD1-CD1 3.89Å; L330-L334 HydrophobicContact CD1-CD2 4.5Å; L330-L334 HydrophobicContact CD1-CG 3.93Å; L330-L334 HydrophobicContact CG-CD1 4.03Å; L330-L334 WeakPolarHBondContact O-CG 3.2Å; L330-L334 PolarHBondContact O-N 3.38Å; L330-L352 HydrophobicContact CD1-CD1 3.88Å; L330-L352 HydrophobicContact CD2-CD1 3.94Å; L330-L352 HydrophobicContact CG-CD1 4.41Å; L330-W355 HydrophobicContact CB-CD2 4.28Å; L330-W355 HydrophobicContact CB-CG 4.33Å; L330-W355 HydrophobicContact CB-CZ2 4.27Å; L330-W355 HydrophobicContact CD1-CB 4.43Å; L330-W355 HydrophobicContact CD1-CD2 3.69Å; L330-W355 HydrophobicContact CD1-CE3 3.96Å; L330-W355 HydrophobicContact CD1-CG 3.91Å; L330-W355 HydrophobicContact CD1-CZ3 4.49Å; L330-W355 HydrophobicContact CD2-CB 4.29Å; L330-W355 HydrophobicContact CD2-CG 4.02Å; L330-W355 HydrophobicContact CG-CD2 4.4Å; L330-W355 HydrophobicContact CG-CG 4.31Å; L330-M358 HydrophobicContact CB-CE 3.91Å; L330-M358 HydrophobicContact CD2-CE 3.54Å; L330-M358 HydrophobicContact CG-CE 3.73Å; L330-Y379 HydrophobicContact CD2-CE1 3.78Å
331	T	90.7	Very high	89	Confident	8 Å²	8	43.3 Å²	43.3	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-38.1	179.4	62.8	0	0	0	0	111.5	A329 L334 K335 M358 E365 L366 Y371	A329-T331 PolarHBondContact O-N 3.21Å; T331-L334 PolarHBondContact O-N 2.9Å; T331-K335 WeakPolarHBondContact O-CG 3.44Å; T331-K335 PolarHBondContact O-N 2.85Å; T331-K335 VanDerWaalsContact O-N 3.11Å; T331-M358 HydrophobicContact CG2-CE 3.88Å; T331-E365 WeakPolarHBondContact CB-OE2 2.93Å; T331-E365 HydrophobicContact CG2-CB 4.34Å; T331-E365 WeakPolarHBondContact CG2-OE2 3.47Å; T331-E365 PolarHBondContact OG1-OE2 2.64Å; T331-L366 HydrophobicContact CG2-CD2 4.05Å; T331-Y371 PolarHBondContact O-OH 3.38Å
332	K	90.8	Very high	88.9	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-67.9	-39.1	176.1	-56.3	-55.3	-172.2	-75.2	0	112.2	Y302 L308 A329 L330 K335 C336	Y302-K332 WeakPolarHBondContact O-CE 3.47Å; Y302-K332 PolarHBondContact O-NZ 3.41Å; L308-K332 HydrophobicContact CD1-CB 4.32Å; A329-K332 PolarHBondContact O-N 2.95Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 2.8Å; K332-K335 PolarHBondContact O-N 2.8Å; K332-C336 PolarHBondContact O-N 3.23Å
333	F	92.2	Very high	88.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-49.7	172.6	171.6	-108.3	0	0	0	111.4	V316 W317 R320 A329 L330 K335 C336 V337 A348 L351 W355	V316-F333 HydrophobicContact CG1-CB 4.18Å; V316-F333 HydrophobicContact CG1-CD2 4.35Å; W317-F333 AromaticContact CE3-CE2 3.74Å; W317-F333 HydrophobicContact CE3-CE2 3.74Å; W317-F333 HydrophobicContact CE3-CZ 4.4Å; W317-F333 AromaticContact CZ3-CE2 3.83Å; W317-F333 HydrophobicContact CZ3-CE2 3.83Å; W317-F333 HydrophobicContact CZ3-CZ 4.02Å; R320-F333 HydrophobicContact CB-CD2 4.09Å; R320-F333 HydrophobicContact CB-CE2 3.67Å; R320-F333 HydrophobicContact CB-CZ 4.45Å; A329-F333 PolarHBondContact O-N 2.84Å; L330-F333 HydrophobicContact CD1-CD1 4.32Å; L330-F333 PolarHBondContact O-N 3.38Å; F333-K335 PolarHBondContact O-N 2.84Å; F333-C336 PolarHBondContact O-N 2.86Å; F333-C336 PolarHBondContact O-SG 2.79Å; F333-V337 HydrophobicContact CE1-CG2 4.22Å; F333-V337 HydrophobicContact CE2-CG2 4.38Å; F333-V337 HydrophobicContact CZ-CG2 4.12Å; F333-V337 VanDerWaalsContact O-CG2 3.29Å; F333-V337 WeakPolarHBondContact O-CG2 3.44Å; F333-V337 PolarHBondContact O-N 3.27Å; F333-A348 HydrophobicContact CE1-CB 4.09Å; F333-A348 HydrophobicContact CZ-CB 4.1Å; F333-L351 HydrophobicContact CZ-CD1 3.92Å; F333-W355 HydrophobicContact CB-CH2 3.65Å; F333-W355 HydrophobicContact CB-CZ2 4.38Å; F333-W355 HydrophobicContact CB-CZ3 4.12Å; F333-W355 HydrophobicContact CD1-CE3 4.28Å; F333-W355 HydrophobicContact CD1-CH2 4.05Å; F333-W355 AromaticContact CD1-CZ3 3.59Å; F333-W355 HydrophobicContact CD1-CZ3 3.59Å; F333-W355 HydrophobicContact CD2-CH2 4.41Å; F333-W355 HydrophobicContact CD2-CZ3 4.33Å; F333-W355 HydrophobicContact CE1-CZ3 4.07Å; F333-W355 AromaticContact CG-CH2 3.77Å; F333-W355 HydrophobicContact CG-CH2 3.77Å; F333-W355 AromaticContact CG-CZ3 3.74Å; F333-W355 HydrophobicContact CG-CZ3 3.74Å
334	L	91.4	Very high	88.5	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-28.7	-178.5	-68.7	170.8	0	0	0	113.2	L330 T331 C336 W339 L352 L366 Y371 V376	L330-L334 HydrophobicContact CD1-CD1 3.89Å; L330-L334 HydrophobicContact CD1-CD2 4.5Å; L330-L334 HydrophobicContact CD1-CG 3.93Å; L330-L334 HydrophobicContact CG-CD1 4.03Å; L330-L334 WeakPolarHBondContact O-CG 3.2Å; L330-L334 PolarHBondContact O-N 3.38Å; T331-L334 PolarHBondContact O-N 2.9Å; L334-C336 VanDerWaalsContact C-N 3.34Å; L334-W339 HydrophobicContact CD2-CH2 4.14Å; L334-W339 HydrophobicContact CD2-CZ2 3.92Å; L334-W339 PolarHBondContact O-NE1 3.39Å; L334-L352 HydrophobicContact CD1-CD1 4.45Å; L334-L366 HydrophobicContact CD1-CD1 4.31Å; L334-L366 HydrophobicContact CD1-CD2 3.66Å; L334-Y371 HydrophobicContact CB-CD1 4.32Å; L334-Y371 HydrophobicContact CB-CE1 3.72Å; L334-V376 HydrophobicContact CD1-CG1 3.84Å; L334-V376 HydrophobicContact CD2-CG2 4.07Å
335	K	88.5	Confident	88.4	Confident	57 Å²	57	49.4 Å²	49.4	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-25.5	171.6	-76.8	178.6	-179.6	167.2	0	114.1	P304 T331 K332 F333 E365 Y371	P304-K335 PolarHBondContact O-NZ 3.45Å; T331-K335 WeakPolarHBondContact O-CG 3.44Å; T331-K335 PolarHBondContact O-N 2.85Å; T331-K335 VanDerWaalsContact O-N 3.11Å; K332-K335 PolarHBondContact O-N 2.8Å; F333-K335 PolarHBondContact O-N 2.84Å; K335-E365 WeakPolarHBondContact CE-OE1 3.2Å; K335-E365 IonicContact NZ-OE1 2.82Å; K335-E365 PolarHBondContact NZ-OE1 2.55Å; K335-Y371 VanDerWaalsContact CE-OH 3.29Å; K335-Y371 WeakPolarHBondContact CE-OH 3.19Å; K335-Y371 HydrophobicContact CG-CE1 4.28Å
336	C	87.9	Confident	88.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-87.9	-14.2	-178.6	83.4	0	0	0	0	113.4	R275 Q313 K332 F333 L334	R275-C336 VanDerWaalsContact CZ-O 3.31Å; R275-C336 PolarHBondContact NH1-O 2.93Å; R275-C336 PolarHBondContact NH2-O 2.86Å; Q313-C336 HydrophobicContact CB-CB 3.77Å; Q313-C336 HydrophobicContact CG-CB 3.8Å; K332-C336 PolarHBondContact O-N 3.23Å; F333-C336 PolarHBondContact O-N 2.86Å; F333-C336 PolarHBondContact O-SG 2.79Å; L334-C336 VanDerWaalsContact C-N 3.34Å
337	V	88	Confident	88.2	Confident	10 Å²	10	49 Å²	49	6%	0.061	24%	0.243	C	C	.	.			trans	-72.3	130.6	-178.6	-172	0	0	0	0	110.6	W317 F333 W339 E344 A348	W317-V337 HydrophobicContact CZ3-CB 4.43Å; W317-V337 HydrophobicContact CZ3-CG1 4.22Å; W317-V337 HydrophobicContact CZ3-CG2 3.96Å; F333-V337 HydrophobicContact CE1-CG2 4.22Å; F333-V337 HydrophobicContact CE2-CG2 4.38Å; F333-V337 HydrophobicContact CZ-CG2 4.12Å; F333-V337 VanDerWaalsContact O-CG2 3.29Å; F333-V337 WeakPolarHBondContact O-CG2 3.44Å; F333-V337 PolarHBondContact O-N 3.27Å; V337-W339 HydrophobicContact CB-CZ2 4.32Å; V337-W339 HydrophobicContact CG1-CD2 4.32Å; V337-W339 HydrophobicContact CG1-CZ2 4.46Å; V337-W339 PolarHBondContact O-N 2.98Å; V337-E344 HydrophobicContact CG1-CB 4.28Å; V337-A348 HydrophobicContact CB-CB 4.42Å; V337-A348 HydrophobicContact CG1-CB 3.73Å; V337-A348 HydrophobicContact CG2-CB 3.83Å
338	N	86.4	Confident	88.3	Confident	48 Å²	48	46.5 Å²	46.5	26%	0.257	23%	0.231	S	C	.	.			trans	-84.3	103.7	168.2	-172.2	-19.6	0	0	0	110.2	D340 L341 E344	N338-D340 VanDerWaalsContact C-N 3.26Å; N338-D340 PolarHBondContact O-N 3.28Å; N338-D340 WeakPolarHBondContact OD1-CB 3.18Å; N338-D340 PolarHBondContact OD1-N 3.48Å; N338-L341 HydrophobicContact CB-CD1 4.23Å; N338-L341 PolarHBondContact O-N 3.35Å; N338-E344 WeakPolarHBondContact CB-OE2 3.46Å; N338-E344 PolarHBondContact N-OE2 3.11Å; N338-E344 VanDerWaalsContact N-OE2 3.11Å
339	W	87.7	Confident	88.4	Confident	64 Å²	64	43.5 Å²	43.5	24%	0.242	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.5	-177.8	-63.5	98.3	0	0	0	114.2	L334 V337 L341 A345 A348 L349 N373 V376	L334-W339 HydrophobicContact CD2-CH2 4.14Å; L334-W339 HydrophobicContact CD2-CZ2 3.92Å; L334-W339 PolarHBondContact O-NE1 3.39Å; V337-W339 HydrophobicContact CB-CZ2 4.32Å; V337-W339 HydrophobicContact CG1-CD2 4.32Å; V337-W339 HydrophobicContact CG1-CZ2 4.46Å; V337-W339 PolarHBondContact O-N 2.98Å; W339-L341 VanDerWaalsContact C-N 3.26Å; W339-L341 PolarHBondContact O-N 2.87Å; W339-A345 HydrophobicContact CE3-CB 3.99Å; W339-A345 HydrophobicContact CZ3-CB 4.4Å; W339-A348 HydrophobicContact CH2-CB 4.38Å; W339-L349 HydrophobicContact CH2-CD2 4.26Å; W339-L349 HydrophobicContact CZ3-CD2 4.09Å; W339-L349 HydrophobicContact CZ3-CG 4.29Å; W339-N373 HydrophobicContact CD2-CB 4.26Å; W339-N373 HydrophobicContact CE3-CB 3.99Å; W339-N373 HydrophobicContact CH2-CB 4.16Å; W339-N373 HydrophobicContact CZ2-CB 4.42Å; W339-N373 HydrophobicContact CZ3-CB 3.94Å; W339-N373 VanDerWaalsContact CZ3-ND2 3.35Å; W339-N373 WeakPolarHBondContact CZ3-ND2 3.49Å; W339-V376 HydrophobicContact CH2-CG2 3.48Å; W339-V376 VanDerWaalsContact CH2-CG2 3.48Å; W339-V376 HydrophobicContact CZ2-CG2 3.8Å; W339-V376 HydrophobicContact CZ3-CG2 4.42Å
340	D	85.7	Confident	88.3	Confident	150 Å²	150	48.7 Å²	48.7	80%	0.802	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.2	175.8	-62.1	-40	0	0	0	112.2	N338 P342	N338-D340 VanDerWaalsContact C-N 3.26Å; N338-D340 PolarHBondContact O-N 3.28Å; N338-D340 WeakPolarHBondContact OD1-CB 3.18Å; N338-D340 PolarHBondContact OD1-N 3.48Å; D340-P342 WeakPolarHBondContact O-CD 3.37Å
341	L	85.4	Confident	88.2	Confident	68 Å²	68	49 Å²	49	36%	0.356	25%	0.246	S	C	.	.	S	Bend	trans	-92.7	111	176.8	-69.5	174.9	0	0	0	110.2	N338 W339 Q343 E344 A345	N338-L341 HydrophobicContact CB-CD1 4.23Å; N338-L341 PolarHBondContact O-N 3.35Å; W339-L341 VanDerWaalsContact C-N 3.26Å; W339-L341 PolarHBondContact O-N 2.87Å; L341-Q343 PolarHBondContact O-N 3.01Å; L341-Q343 VanDerWaalsContact O-N 3.09Å; L341-E344 HydrophobicContact CB-CB 4.26Å; L341-E344 HydrophobicContact CB-CG 4.27Å; L341-E344 HydrophobicContact CD1-CG 4.37Å; L341-E344 PolarHBondContact O-N 3.13Å; L341-A345 PolarHBondContact O-N 2.83Å
342	P	84.7	Confident	88.2	Confident	105 Å²	105	48.9 Å²	48.9	68%	0.682	25%	0.245	S	C	*	.	H	α-helix	trans	-60.3	-28.8	-175	-25.5	35	0	0	0	114	D340 K346	D340-P342 WeakPolarHBondContact O-CD 3.37Å; P342-K346 VanDerWaalsContact O-CB 3.3Å; P342-K346 WeakPolarHBondContact O-CB 3.22Å; P342-K346 PolarHBondContact O-N 3.01Å
343	Q	83.4	Confident	88	Confident	140 Å²	140	52 Å²	52	65%	0.654	28%	0.279	S	S	*	.	H	α-helix	trans	-71.8	-46.6	179.4	-67.4	178	-17.7	0	0	112	L277 L341 K346 Q347	L277-Q343 HydrophobicContact CD1-CB 4.42Å; L277-Q343 HydrophobicContact CD1-CG 4.5Å; L341-Q343 PolarHBondContact O-N 3.01Å; L341-Q343 VanDerWaalsContact O-N 3.09Å; Q343-K346 PolarHBondContact O-N 2.89Å; Q343-Q347 PolarHBondContact O-N 3.49Å; Q343-Q347 VanDerWaalsContact O-N 3.12Å
344	E	86.9	Confident	87.8	Confident	17 Å²	17	59.4 Å²	59.4	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-45.5	175.9	-69.8	-167	-164.5	0	0	110.5	R275 W317 V337 N338 L341 K346 Q347 A348	R275-E344 WeakPolarHBondContact CD-OE1 3.48Å; R275-E344 IonicContact NH1-OE1 3.71Å; R275-E344 IonicContact NH1-OE2 2.78Å; R275-E344 PolarHBondContact NH1-OE2 3.12Å; R275-E344 VanDerWaalsContact NH1-OE2 3.11Å; W317-E344 HydrophobicContact CH2-CB 3.76Å; W317-E344 HydrophobicContact CH2-CG 3.89Å; W317-E344 HydrophobicContact CZ2-CB 4.2Å; W317-E344 HydrophobicContact CZ2-CG 3.82Å; V337-E344 HydrophobicContact CG1-CB 4.28Å; N338-E344 WeakPolarHBondContact CB-OE2 3.46Å; N338-E344 PolarHBondContact N-OE2 3.11Å; N338-E344 VanDerWaalsContact N-OE2 3.11Å; L341-E344 HydrophobicContact CB-CB 4.26Å; L341-E344 HydrophobicContact CB-CG 4.27Å; L341-E344 HydrophobicContact CD1-CG 4.37Å; L341-E344 PolarHBondContact O-N 3.13Å; E344-K346 VanDerWaalsContact C-N 3.34Å; E344-K346 PolarHBondContact O-N 3.04Å; E344-Q347 PolarHBondContact O-N 3.44Å; E344-A348 WeakPolarHBondContact O-CB 3.42Å; E344-A348 PolarHBondContact O-N 2.8Å
345	A	88.2	Confident	87.9	Confident	14 Å²	14	59.7 Å²	59.7	12%	0.116	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-46.2	176.8	0	0	0	0	0	111.7	W339 L341 Q347 A348 L349	W339-A345 HydrophobicContact CE3-CB 3.99Å; W339-A345 HydrophobicContact CZ3-CB 4.4Å; L341-A345 PolarHBondContact O-N 2.83Å; A345-Q347 PolarHBondContact O-N 3.25Å; A345-A348 PolarHBondContact O-N 3.35Å; A345-L349 VanDerWaalsContact O-CG 3.24Å; A345-L349 WeakPolarHBondContact O-CG 3.45Å; A345-L349 PolarHBondContact O-N 3.34Å
346	K	87.9	Confident	88	Confident	133 Å²	133	61.6 Å²	61.6	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-60.9	-46.6	177.7	-175.4	178.8	175.6	-176.6	0	112	P342 Q343 E344 A348 L349 E350	P342-K346 VanDerWaalsContact O-CB 3.3Å; P342-K346 WeakPolarHBondContact O-CB 3.22Å; P342-K346 PolarHBondContact O-N 3.01Å; Q343-K346 PolarHBondContact O-N 2.89Å; E344-K346 VanDerWaalsContact C-N 3.34Å; E344-K346 PolarHBondContact O-N 3.04Å; K346-A348 PolarHBondContact O-N 3.25Å; K346-L349 PolarHBondContact O-N 2.95Å; K346-E350 WeakPolarHBondContact CE-OE1 2.85Å; K346-E350 WeakPolarHBondContact O-CG 3.38Å; K346-E350 PolarHBondContact O-N 2.81Å
347	Q	87.4	Confident	88.1	Confident	34 Å²	34	65 Å²	65	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-40.5	179.3	-172.7	176.4	29.8	0	0	112.1	W317 R320 Y321 Q343 E344 A345 L349 E350 L351	W317-Q347 VanDerWaalsContact CZ2-OE1 3.22Å; R320-Q347 VanDerWaalsContact NE-NE2 3.16Å; Y321-Q347 PolarHBondContact OH-NE2 3.07Å; Q343-Q347 PolarHBondContact O-N 3.49Å; Q343-Q347 VanDerWaalsContact O-N 3.12Å; E344-Q347 PolarHBondContact O-N 3.44Å; A345-Q347 PolarHBondContact O-N 3.25Å; Q347-L349 VanDerWaalsContact C-N 3.34Å; Q347-L349 PolarHBondContact O-N 2.71Å; Q347-E350 PolarHBondContact O-N 3.29Å; Q347-L351 HydrophobicContact CG-CD1 4.35Å; Q347-L351 WeakPolarHBondContact O-CB 3.39Å; Q347-L351 WeakPolarHBondContact O-CG 3.38Å; Q347-L351 PolarHBondContact O-N 2.91Å
348	A	90.5	Very high	88.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-42	176.4	0	0	0	0	0	111.8	F333 V337 W339 E344 A345 K346 L351 L352	F333-A348 HydrophobicContact CE1-CB 4.09Å; F333-A348 HydrophobicContact CZ-CB 4.1Å; V337-A348 HydrophobicContact CB-CB 4.42Å; V337-A348 HydrophobicContact CG1-CB 3.73Å; V337-A348 HydrophobicContact CG2-CB 3.83Å; W339-A348 HydrophobicContact CH2-CB 4.38Å; E344-A348 WeakPolarHBondContact O-CB 3.42Å; E344-A348 PolarHBondContact O-N 2.8Å; A345-A348 PolarHBondContact O-N 3.35Å; K346-A348 PolarHBondContact O-N 3.25Å; A348-L351 PolarHBondContact O-N 2.8Å; A348-L352 WeakPolarHBondContact O-CB 3.44Å; A348-L352 PolarHBondContact O-N 2.93Å
349	L	89.9	Confident	88.4	Confident	55 Å²	55	65.9 Å²	65.9	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-37.6	177	-66.5	178.5	0	0	0	112.8	W339 A345 K346 Q347 L351 L352 T375	W339-L349 HydrophobicContact CH2-CD2 4.26Å; W339-L349 HydrophobicContact CZ3-CD2 4.09Å; W339-L349 HydrophobicContact CZ3-CG 4.29Å; A345-L349 VanDerWaalsContact O-CG 3.24Å; A345-L349 WeakPolarHBondContact O-CG 3.45Å; A345-L349 PolarHBondContact O-N 3.34Å; K346-L349 PolarHBondContact O-N 2.95Å; Q347-L349 VanDerWaalsContact C-N 3.34Å; Q347-L349 PolarHBondContact O-N 2.71Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L352 HydrophobicContact CD2-CD2 4.46Å; L349-L352 PolarHBondContact O-N 3.18Å; L349-T375 HydrophobicContact CD2-CG2 3.76Å
350	E	88.5	Confident	88.5	Confident	109 Å²	109	64.2 Å²	64.2	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-39.2	173.3	-73.6	176.6	-168	0	0	112	K346 Q347	K346-E350 WeakPolarHBondContact CE-OE1 2.85Å; K346-E350 WeakPolarHBondContact O-CG 3.38Å; K346-E350 PolarHBondContact O-N 2.81Å; Q347-E350 PolarHBondContact O-N 3.29Å
351	L	89.4	Confident	88.6	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-71	-35	176.1	-75.9	174.8	0	0	0	112.6	R320 Y321 F333 Q347 A348 L349 G353 K354 W355	R320-L351 HydrophobicContact CB-CD1 4.09Å; R320-L351 HydrophobicContact CG-CD1 3.85Å; Y321-L351 HydrophobicContact CD1-CD2 3.75Å; Y321-L351 HydrophobicContact CE1-CD2 3.65Å; F333-L351 HydrophobicContact CZ-CD1 3.92Å; Q347-L351 HydrophobicContact CG-CD1 4.35Å; Q347-L351 WeakPolarHBondContact O-CB 3.39Å; Q347-L351 WeakPolarHBondContact O-CG 3.38Å; Q347-L351 PolarHBondContact O-N 2.91Å; A348-L351 PolarHBondContact O-N 2.8Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L351-G353 PolarHBondContact O-N 2.67Å; L351-K354 CarbonylContact O-C 3.56Å; L351-K354 WeakPolarHBondContact O-CA 3.45Å; L351-K354 PolarHBondContact O-N 2.87Å; L351-W355 PolarHBondContact O-N 3.21Å
352	L	90.8	Very high	88.7	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-55.8	-39.3	177.3	-175.9	65.1	0	0	0	111.7	L330 L334 A348 L349 K354 W355 V376 Y379	L330-L352 HydrophobicContact CD1-CD1 3.88Å; L330-L352 HydrophobicContact CD2-CD1 3.94Å; L330-L352 HydrophobicContact CG-CD1 4.41Å; L334-L352 HydrophobicContact CD1-CD1 4.45Å; A348-L352 WeakPolarHBondContact O-CB 3.44Å; A348-L352 PolarHBondContact O-N 2.93Å; L349-L352 HydrophobicContact CD2-CD2 4.46Å; L349-L352 PolarHBondContact O-N 3.18Å; L352-K354 VanDerWaalsContact C-N 3.3Å; L352-K354 PolarHBondContact O-N 3.05Å; L352-W355 PolarHBondContact O-N 2.85Å; L352-V376 HydrophobicContact CD2-CG2 4.38Å; L352-Y379 HydrophobicContact CD1-CD1 3.98Å; L352-Y379 HydrophobicContact CD1-CD2 4.19Å; L352-Y379 HydrophobicContact CD1-CE1 4.15Å; L352-Y379 HydrophobicContact CD1-CE2 4.34Å; L352-Y379 HydrophobicContact CD1-CG 4Å; L352-Y379 HydrophobicContact CD2-CG 4.2Å; L352-Y379 HydrophobicContact CG-CD2 4.14Å; L352-Y379 HydrophobicContact CG-CG 4.18Å
353	G	86.4	Confident	89	Confident	72 Å²	72	52.3 Å²	52.3	74%	0.742	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.1	176.2	0	0	0	0	0	114.8	L351	L351-G353 PolarHBondContact O-N 2.67Å
354	K	89.6	Confident	89.4	Confident	154 Å²	154	45.6 Å²	45.6	67%	0.67	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-13.2	177.9	-64.2	178.7	-177.3	175.3	0	113	T324 L351 L352	T324-K354 HydrophobicContact CG2-CB 4.29Å; T324-K354 WeakPolarHBondContact CG2-O 3.43Å; L351-K354 CarbonylContact O-C 3.56Å; L351-K354 WeakPolarHBondContact O-CA 3.45Å; L351-K354 PolarHBondContact O-N 2.87Å; L352-K354 VanDerWaalsContact C-N 3.3Å; L352-K354 PolarHBondContact O-N 3.05Å
355	W	93.1	Very high	89.7	Confident	8 Å²	8	45.3 Å²	45.3	3%	0.03	24%	0.24	C	C	.	.	S	Bend	trans	-66.1	142.1	-177	-149.2	-75	0	0	0	111.3	L323 T324 Q326 A329 L330 F333 L351 L352	L323-W355 VanDerWaalsContact C-CZ2 3.48Å; L323-W355 HydrophobicContact CB-CH2 3.75Å; L323-W355 HydrophobicContact CB-CZ2 3.92Å; L323-W355 WeakPolarHBondContact O-CZ2 3.41Å; T324-W355 HydrophobicContact CG2-CB 4.41Å; T324-W355 HydrophobicContact CG2-CD2 4.42Å; T324-W355 HydrophobicContact CG2-CE3 4.36Å; T324-W355 HydrophobicContact CG2-CG 4.47Å; Q326-W355 PolarHBondContact O-NE1 3.18Å; A329-W355 HydrophobicContact CB-CZ2 3.93Å; L330-W355 HydrophobicContact CB-CD2 4.28Å; L330-W355 HydrophobicContact CB-CG 4.33Å; L330-W355 HydrophobicContact CB-CZ2 4.27Å; L330-W355 HydrophobicContact CD1-CB 4.43Å; L330-W355 HydrophobicContact CD1-CD2 3.69Å; L330-W355 HydrophobicContact CD1-CE3 3.96Å; L330-W355 HydrophobicContact CD1-CG 3.91Å; L330-W355 HydrophobicContact CD1-CZ3 4.49Å; L330-W355 HydrophobicContact CD2-CB 4.29Å; L330-W355 HydrophobicContact CD2-CG 4.02Å; L330-W355 HydrophobicContact CG-CD2 4.4Å; L330-W355 HydrophobicContact CG-CG 4.31Å; F333-W355 HydrophobicContact CB-CH2 3.65Å; F333-W355 HydrophobicContact CB-CZ2 4.38Å; F333-W355 HydrophobicContact CB-CZ3 4.12Å; F333-W355 HydrophobicContact CD1-CE3 4.28Å; F333-W355 HydrophobicContact CD1-CH2 4.05Å; F333-W355 AromaticContact CD1-CZ3 3.59Å; F333-W355 HydrophobicContact CD1-CZ3 3.59Å; F333-W355 HydrophobicContact CD2-CH2 4.41Å; F333-W355 HydrophobicContact CD2-CZ3 4.33Å; F333-W355 HydrophobicContact CE1-CZ3 4.07Å; F333-W355 AromaticContact CG-CH2 3.77Å; F333-W355 HydrophobicContact CG-CH2 3.77Å; F333-W355 AromaticContact CG-CZ3 3.74Å; F333-W355 HydrophobicContact CG-CZ3 3.74Å; L351-W355 PolarHBondContact O-N 3.21Å; L352-W355 PolarHBondContact O-N 2.85Å
356	K	91.3	Very high	89.9	Confident	98 Å²	98	44.6 Å²	44.6	43%	0.426	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-53.8	127.3	171.9	-171.9	-176.6	178	-152.1	0	109.2	T324 N325 E327 M358	T324-K356 PolarHBondContact O-N 2.83Å; N325-K356 WeakPolarHBondContact O-CD 3.45Å; E327-K356 HydrophobicContact CB-CD 4.35Å; E327-K356 WeakPolarHBondContact OE2-CE 3.5Å; E327-K356 IonicContact OE2-NZ 3.43Å; E327-K356 PolarHBondContact OE2-NZ 3.24Å; K356-M358 PolarHBondContact O-N 2.81Å
357	P	89.1	Confident	90.1	Very high	72 Å²	72	38.3 Å²	38.3	47%	0.468	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-56.8	126.9	-176.2	-24.3	32.4	0	0	0	112.1	R383	P357-R383 VanDerWaalsContact CB-CZ 3.48Å
358	M	90.5	Very high	90.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-74.7	159.8	180	62.7	166.8	40.4	0	0	112.9	L330 T331 K356 S363 L366 Y379 R383	L330-M358 HydrophobicContact CB-CE 3.91Å; L330-M358 HydrophobicContact CD2-CE 3.54Å; L330-M358 HydrophobicContact CG-CE 3.73Å; T331-M358 HydrophobicContact CG2-CE 3.88Å; K356-M358 PolarHBondContact O-N 2.81Å; M358-S363 WeakPolarHBondContact SD-CA 3.39Å; M358-S363 VanDerWaalsContact SD-CB 3.55Å; M358-L366 HydrophobicContact CE-CD1 3.61Å; M358-L366 HydrophobicContact CE-CD2 4.48Å; M358-L366 HydrophobicContact CE-CG 4.11Å; M358-L366 HydrophobicContact SD-CD1 3.63Å; M358-L366 HydrophobicContact SD-CG 4.27Å; M358-Y379 HydrophobicContact CE-CE1 4.29Å; M358-Y379 HydrophobicContact CG-CE1 3.73Å; M358-Y379 PolarHBondContact N-OH 2.69Å; M358-Y379 HydrophobicContact SD-CE1 3.84Å; M358-R383 HydrophobicContact CG-CG 3.94Å; M358-R383 PolarHBondContact O-NE 3.24Å; M358-R383 PolarHBondContact O-NH2 2.86Å
359	D	89.4	Confident	90.1	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-66.9	154.5	174.7	-68.4	-32.9	0	0	0	112.2	E361 D362 S363	D359-E361 VanDerWaalsContact C-N 3.29Å; D359-E361 PolarHBondContact O-N 2.97Å; D359-D362 PolarHBondContact O-N 3.34Å; D359-S363 PolarHBondContact O-N 2.94Å; D359-S363 VanDerWaalsContact O-N 3.09Å
360	V	89.5	Confident	89.9	Confident	30 Å²	30	43 Å²	43	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-43	179.3	176.6	0	0	0	0	110.6	D362 S363 L384 Q386 A387	V360-D362 VanDerWaalsContact C-N 3.35Å; V360-D362 PolarHBondContact O-N 3.45Å; V360-S363 WeakPolarHBondContact O-CB 3.35Å; V360-S363 PolarHBondContact O-N 2.97Å; V360-S363 PolarHBondContact O-OG 3.06Å; V360-L384 HydrophobicContact CG1-CD2 3.96Å; V360-Q386 HydrophobicContact CG2-CB 4.46Å; V360-A387 HydrophobicContact CG1-CB 3.75Å
361	E	88	Confident	90	Very high	47 Å²	47	38.2 Å²	38.2	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-42.4	-179.7	-63.4	176.2	-159.5	0	0	111.9	D359 K660 L815	D359-E361 VanDerWaalsContact C-N 3.29Å; D359-E361 PolarHBondContact O-N 2.97Å; E361-K660 IonicContact OE1-NZ 3.54Å; E361-L815 HydrophobicContact CB-CD1 4.02Å; E361-L815 HydrophobicContact CB-CD2 4.42Å; E361-L815 HydrophobicContact CG-CD1 4.3Å; E361-L815 HydrophobicContact CG-CD2 4.03Å
362	D	87.9	Confident	89.9	Confident	25 Å²	25	43 Å²	43	13%	0.134	24%	0.241	C	C	.	.	H	α-helix	trans	-73.3	-28.6	178.4	-71.7	-27.5	0	0	0	112.2	D359 V360 L364 E365	D359-D362 PolarHBondContact O-N 3.34Å; V360-D362 VanDerWaalsContact C-N 3.35Å; V360-D362 PolarHBondContact O-N 3.45Å; D362-L364 PolarHBondContact O-N 3.35Å; D362-E365 VanDerWaalsContact O-CB 3.31Å; D362-E365 WeakPolarHBondContact O-CB 3.39Å; D362-E365 PolarHBondContact O-N 3.16Å; D362-E365 VanDerWaalsContact O-N 3.11Å
363	S	91.7	Very high	89.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-21.7	178.6	78.5	0	0	0	0	113.9	M358 D359 V360 E365 L366	M358-S363 WeakPolarHBondContact SD-CA 3.39Å; M358-S363 VanDerWaalsContact SD-CB 3.55Å; D359-S363 PolarHBondContact O-N 2.94Å; D359-S363 VanDerWaalsContact O-N 3.09Å; V360-S363 WeakPolarHBondContact O-CB 3.35Å; V360-S363 PolarHBondContact O-N 2.97Å; V360-S363 PolarHBondContact O-OG 3.06Å; S363-E365 PolarHBondContact O-N 3.01Å; S363-L366 WeakPolarHBondContact O-CB 3.35Å; S363-L366 PolarHBondContact O-N 3.49Å; S363-L366 VanDerWaalsContact O-N 3.14Å
364	L	91.9	Very high	89.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.7	-29.4	174.2	-66.3	170.8	0	0	0	112.2	D362 L366 L367 L384 Y395 L399 L815 L819 L822	D362-L364 PolarHBondContact O-N 3.35Å; L364-L366 VanDerWaalsContact C-N 3.26Å; L364-L366 PolarHBondContact O-N 3.04Å; L364-L367 PolarHBondContact O-N 2.77Å; L364-L384 HydrophobicContact CD2-CD2 3.87Å; L364-Y395 HydrophobicContact CD1-CD1 4.18Å; L364-Y395 HydrophobicContact CD1-CD2 4Å; L364-Y395 HydrophobicContact CD1-CE1 4.43Å; L364-Y395 HydrophobicContact CD1-CE2 4.25Å; L364-Y395 HydrophobicContact CD1-CG 3.96Å; L364-L399 HydrophobicContact CD2-CD2 3.77Å; L364-L815 HydrophobicContact CD1-CD1 3.64Å; L364-L819 HydrophobicContact CD1-CD2 3.93Å; L364-L822 HydrophobicContact CB-CD1 4.48Å
365	E	92.2	Very high	89.9	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.047	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.7	-38.7	176.4	-163.3	-171.9	145.7	0	0	111.2	P304 T331 K335 D362 S363 L367 S368 Y371	P304-E365 HydrophobicContact CB-CG 4.29Å; T331-E365 WeakPolarHBondContact CB-OE2 2.93Å; T331-E365 HydrophobicContact CG2-CB 4.34Å; T331-E365 WeakPolarHBondContact CG2-OE2 3.47Å; T331-E365 PolarHBondContact OG1-OE2 2.64Å; K335-E365 WeakPolarHBondContact CE-OE1 3.2Å; K335-E365 IonicContact NZ-OE1 2.82Å; K335-E365 PolarHBondContact NZ-OE1 2.55Å; D362-E365 VanDerWaalsContact O-CB 3.31Å; D362-E365 WeakPolarHBondContact O-CB 3.39Å; D362-E365 PolarHBondContact O-N 3.16Å; D362-E365 VanDerWaalsContact O-N 3.11Å; S363-E365 PolarHBondContact O-N 3.01Å; E365-L367 PolarHBondContact O-N 2.96Å; E365-S368 WeakPolarHBondContact O-CB 3.47Å; E365-S368 PolarHBondContact O-N 3.34Å; E365-S368 VanDerWaalsContact O-N 3.11Å; E365-S368 PolarHBondContact O-OG 3.34Å; E365-Y371 HydrophobicContact CG-CE2 4.19Å; E365-Y371 VanDerWaalsContact O-CD2 3.26Å; E365-Y371 WeakPolarHBondContact O-CD2 3.33Å; E365-Y371 WeakPolarHBondContact O-CE2 3.21Å; E365-Y371 PolarHBondContact OE1-OH 3.33Å; E365-Y371 VanDerWaalsContact OE1-OH 3.13Å
366	L	92.9	Very high	89.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-69.4	-10.2	-178.5	-59.6	-174	0	0	0	113.6	T331 L334 M358 S363 L364 Y371 V376 Y379 A380	T331-L366 HydrophobicContact CG2-CD2 4.05Å; L334-L366 HydrophobicContact CD1-CD1 4.31Å; L334-L366 HydrophobicContact CD1-CD2 3.66Å; M358-L366 HydrophobicContact CE-CD1 3.61Å; M358-L366 HydrophobicContact CE-CD2 4.48Å; M358-L366 HydrophobicContact CE-CG 4.11Å; M358-L366 HydrophobicContact SD-CD1 3.63Å; M358-L366 HydrophobicContact SD-CG 4.27Å; S363-L366 WeakPolarHBondContact O-CB 3.35Å; S363-L366 PolarHBondContact O-N 3.49Å; S363-L366 VanDerWaalsContact O-N 3.14Å; L364-L366 VanDerWaalsContact C-N 3.26Å; L364-L366 PolarHBondContact O-N 3.04Å; L366-Y371 HydrophobicContact CD2-CD1 4.07Å; L366-Y371 HydrophobicContact CD2-CD2 4.35Å; L366-Y371 HydrophobicContact CD2-CE1 3.74Å; L366-Y371 HydrophobicContact CD2-CE2 4.03Å; L366-Y371 HydrophobicContact CD2-CG 4.34Å; L366-Y371 WeakPolarHBondContact O-CB 3.43Å; L366-V376 HydrophobicContact CB-CG1 4.3Å; L366-V376 HydrophobicContact CD1-CG1 4.18Å; L366-V376 HydrophobicContact CD2-CG1 4.1Å; L366-V376 HydrophobicContact CG-CG1 4.44Å; L366-Y379 HydrophobicContact CD1-CD1 3.91Å; L366-Y379 HydrophobicContact CD1-CE1 4.28Å; L366-A380 HydrophobicContact CB-CB 3.75Å; L366-A380 HydrophobicContact CD1-CB 4.23Å
367	L	92.4	Very high	89.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-94.3	-3.8	175.2	-64.3	-179.6	0	0	0	113.3	L364 E365 R377 A380 L384 L399 A402 Y405 L475 L822	L364-L367 PolarHBondContact O-N 2.77Å; E365-L367 PolarHBondContact O-N 2.96Å; L367-R377 VanDerWaalsContact C-NH1 3.31Å; L367-R377 HydrophobicContact CD2-CB 4.48Å; L367-R377 PolarHBondContact O-NH1 3.37Å; L367-R377 PolarHBondContact O-NH2 3.17Å; L367-A380 HydrophobicContact CD2-CB 3.87Å; L367-A380 HydrophobicContact CG-CB 4.06Å; L367-L384 HydrophobicContact CD1-CD1 3.58Å; L367-L399 HydrophobicContact CD1-CD2 3.56Å; L367-A402 HydrophobicContact CB-CB 4.18Å; L367-Y405 WeakPolarHBondContact O-CD2 3.49Å; L367-L475 HydrophobicContact CD1-CD1 4.27Å; L367-L475 HydrophobicContact CD1-CD2 4.25Å; L367-L475 HydrophobicContact CD2-CD2 4.47Å; L367-L822 HydrophobicContact CB-CD2 4.39Å
368	S	90.4	Very high	90	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.028	18%	0.183	C	C	.	.	S	Bend	trans	-68.8	168.2	175.7	69.3	0	0	0	0	112.9	E365 H370 Y371 R377	E365-S368 WeakPolarHBondContact O-CB 3.47Å; E365-S368 PolarHBondContact O-N 3.34Å; E365-S368 VanDerWaalsContact O-N 3.11Å; E365-S368 PolarHBondContact O-OG 3.34Å; S368-H370 PolarHBondContact O-N 3.46Å; S368-H370 VanDerWaalsContact O-N 3.14Å; S368-H370 PolarHBondContact OG-ND1 3.38Å; S368-Y371 PolarHBondContact O-N 3.12Å; S368-R377 PolarHBondContact O-NH1 3.49Å
369	S	87.4	Confident	90.1	Very high	56 Å²	56	34.9 Å²	34.9	39%	0.392	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.9	177.9	54.2	0	0	0	0	114.3	Y371	S369-Y371 PolarHBondContact O-N 2.9Å
370	H	86.1	Confident	90.3	Very high	129 Å²	129	31.3 Å²	31.3	60%	0.597	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.3	179	-60.5	91.8	0	0	0	113.3	S368	S368-H370 PolarHBondContact O-N 3.46Å; S368-H370 VanDerWaalsContact O-N 3.14Å; S368-H370 PolarHBondContact OG-ND1 3.38Å
371	Y	89.4	Confident	90.5	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.027	16%	0.159	C	C	.	.			trans	-113.6	100.9	-175.9	-57	-86.3	0	0	0	110.4	T331 L334 K335 E365 L366 S368 S369 V376 R377	T331-Y371 PolarHBondContact O-OH 3.38Å; L334-Y371 HydrophobicContact CB-CD1 4.32Å; L334-Y371 HydrophobicContact CB-CE1 3.72Å; K335-Y371 VanDerWaalsContact CE-OH 3.29Å; K335-Y371 WeakPolarHBondContact CE-OH 3.19Å; K335-Y371 HydrophobicContact CG-CE1 4.28Å; E365-Y371 HydrophobicContact CG-CE2 4.19Å; E365-Y371 VanDerWaalsContact O-CD2 3.26Å; E365-Y371 WeakPolarHBondContact O-CD2 3.33Å; E365-Y371 WeakPolarHBondContact O-CE2 3.21Å; E365-Y371 PolarHBondContact OE1-OH 3.33Å; E365-Y371 VanDerWaalsContact OE1-OH 3.13Å; L366-Y371 HydrophobicContact CD2-CD1 4.07Å; L366-Y371 HydrophobicContact CD2-CD2 4.35Å; L366-Y371 HydrophobicContact CD2-CE1 3.74Å; L366-Y371 HydrophobicContact CD2-CE2 4.03Å; L366-Y371 HydrophobicContact CD2-CG 4.34Å; L366-Y371 WeakPolarHBondContact O-CB 3.43Å; S368-Y371 PolarHBondContact O-N 3.12Å; S369-Y371 PolarHBondContact O-N 2.9Å; Y371-V376 HydrophobicContact CD1-CG1 4.23Å; Y371-R377 PolarHBondContact O-NH1 2.92Å
372	T	87.6	Confident	90.6	Very high	107 Å²	107	28.9 Å²	28.9	66%	0.656	16%	0.158	S	C	*	.			trans	-94.5	-19	-178	56.2	0	0	0	0	113.2	P374	T372-P374 WeakPolarHBondContact O-CD 3.41Å
373	N	89.6	Confident	90.8	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.171	16%	0.158	C	C	.	.			trans	-67.6	121.7	-175.8	-172.4	-75.4	0	0	0	111.4	W339 T375 V376 R377	W339-N373 HydrophobicContact CD2-CB 4.26Å; W339-N373 HydrophobicContact CE3-CB 3.99Å; W339-N373 HydrophobicContact CH2-CB 4.16Å; W339-N373 HydrophobicContact CZ2-CB 4.42Å; W339-N373 HydrophobicContact CZ3-CB 3.94Å; W339-N373 VanDerWaalsContact CZ3-ND2 3.35Å; W339-N373 WeakPolarHBondContact CZ3-ND2 3.49Å; N373-T375 VanDerWaalsContact C-N 3.29Å; N373-T375 PolarHBondContact O-N 3.09Å; N373-T375 WeakPolarHBondContact OD1-CB 3.45Å; N373-T375 PolarHBondContact OD1-N 2.98Å; N373-V376 HydrophobicContact CB-CB 4.28Å; N373-V376 HydrophobicContact CB-CG2 3.97Å; N373-V376 PolarHBondContact O-N 2.91Å; N373-V376 PolarHBondContact OD1-N 3.12Å; N373-R377 PolarHBondContact O-N 3.41Å
374	P	88.2	Confident	90.9	Very high	54 Å²	54	29.1 Å²	29.1	35%	0.351	16%	0.158	S	C	.	.	H	α-helix	trans	-59.5	-34.3	-176.5	-26.8	35.2	0	0	0	114.2	T372 R377 R378	T372-P374 WeakPolarHBondContact O-CD 3.41Å; P374-R377 PolarHBondContact O-N 3.28Å; P374-R378 WeakPolarHBondContact O-CB 3.23Å; P374-R378 VanDerWaalsContact O-CG 3.28Å; P374-R378 WeakPolarHBondContact O-CG 3.49Å; P374-R378 PolarHBondContact O-N 2.92Å
375	T	89.5	Confident	90.8	Very high	50 Å²	50	32.9 Å²	32.9	31%	0.307	17%	0.172	S	C	.	.	H	α-helix	trans	-70.6	-37.1	-179	-52.7	0	0	0	0	111.6	L349 N373 R378 Y379	L349-T375 HydrophobicContact CD2-CG2 3.76Å; N373-T375 VanDerWaalsContact C-N 3.29Å; N373-T375 PolarHBondContact O-N 3.09Å; N373-T375 WeakPolarHBondContact OD1-CB 3.45Å; N373-T375 PolarHBondContact OD1-N 2.98Å; T375-R378 PolarHBondContact O-N 3.36Å; T375-Y379 PolarHBondContact O-N 3.34Å
376	V	92.4	Very high	90.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-43.3	173.8	175.9	0	0	0	0	110.5	L334 W339 L352 L366 Y371 N373 Y379 A380	L334-V376 HydrophobicContact CD1-CG1 3.84Å; L334-V376 HydrophobicContact CD2-CG2 4.07Å; W339-V376 HydrophobicContact CH2-CG2 3.48Å; W339-V376 VanDerWaalsContact CH2-CG2 3.48Å; W339-V376 HydrophobicContact CZ2-CG2 3.8Å; W339-V376 HydrophobicContact CZ3-CG2 4.42Å; L352-V376 HydrophobicContact CD2-CG2 4.38Å; L366-V376 HydrophobicContact CB-CG1 4.3Å; L366-V376 HydrophobicContact CD1-CG1 4.18Å; L366-V376 HydrophobicContact CD2-CG1 4.1Å; L366-V376 HydrophobicContact CG-CG1 4.44Å; Y371-V376 HydrophobicContact CD1-CG1 4.23Å; N373-V376 HydrophobicContact CB-CB 4.28Å; N373-V376 HydrophobicContact CB-CG2 3.97Å; N373-V376 PolarHBondContact O-N 2.91Å; N373-V376 PolarHBondContact OD1-N 3.12Å; V376-Y379 WeakPolarHBondContact O-CB 3.48Å; V376-Y379 PolarHBondContact O-N 3.43Å; V376-A380 PolarHBondContact O-N 2.9Å
377	R	92.2	Very high	90.6	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-42.4	177	-61.9	-172.4	70.1	86.7	2.5	112.2	L367 S368 Y371 N373 P374 Y379 A380 V381 A402 E406	L367-R377 VanDerWaalsContact C-NH1 3.31Å; L367-R377 HydrophobicContact CD2-CB 4.48Å; L367-R377 PolarHBondContact O-NH1 3.37Å; L367-R377 PolarHBondContact O-NH2 3.17Å; S368-R377 PolarHBondContact O-NH1 3.49Å; Y371-R377 PolarHBondContact O-NH1 2.92Å; N373-R377 PolarHBondContact O-N 3.41Å; P374-R377 PolarHBondContact O-N 3.28Å; R377-Y379 VanDerWaalsContact C-N 3.31Å; R377-Y379 PolarHBondContact O-N 3.44Å; R377-A380 VanDerWaalsContact O-CB 3.31Å; R377-A380 WeakPolarHBondContact O-CB 3.03Å; R377-A380 PolarHBondContact O-N 3.01Å; R377-A380 VanDerWaalsContact O-N 3.1Å; R377-V381 WeakPolarHBondContact O-CG2 3.38Å; R377-V381 PolarHBondContact O-N 3.03Å; R377-A402 PolarHBondContact NH2-O 3.26Å; R377-E406 IonicContact CZ-OE1 3.91Å; R377-E406 VanDerWaalsContact CZ-OE1 3.29Å; R377-E406 VanDerWaalsContact NE-CD 3.26Å; R377-E406 IonicContact NE-OE1 3.64Å; R377-E406 PolarHBondContact NE-OE1 3.29Å; R377-E406 IonicContact NE-OE2 3.69Å; R377-E406 IonicContact NH2-OE1 3.61Å; R377-E406 PolarHBondContact NH2-OE1 3.37Å
378	R	90.8	Very high	90.6	Very high	76 Å²	76	42.5 Å²	42.5	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-36.8	174.1	-71.9	-178	-158.9	115	1.2	112.6	P374 T375 V381 A382 L471	P374-R378 WeakPolarHBondContact O-CB 3.23Å; P374-R378 VanDerWaalsContact O-CG 3.28Å; P374-R378 WeakPolarHBondContact O-CG 3.49Å; P374-R378 PolarHBondContact O-N 2.92Å; T375-R378 PolarHBondContact O-N 3.36Å; R378-V381 PolarHBondContact O-N 3.16Å; R378-A382 WeakPolarHBondContact O-CB 3.38Å; R378-A382 PolarHBondContact O-N 3.45Å; R378-L471 WeakPolarHBondContact CB-O 3.38Å; R378-L471 WeakPolarHBondContact CD-O 3.38Å
379	Y	92.4	Very high	90.6	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-45.1	171.2	174.5	-93.5	0	0	0	111.2	L330 L352 M358 L366 T375 V376 R377 V381 A382 R383	L330-Y379 HydrophobicContact CD2-CE1 3.78Å; L352-Y379 HydrophobicContact CD1-CD1 3.98Å; L352-Y379 HydrophobicContact CD1-CD2 4.19Å; L352-Y379 HydrophobicContact CD1-CE1 4.15Å; L352-Y379 HydrophobicContact CD1-CE2 4.34Å; L352-Y379 HydrophobicContact CD1-CG 4Å; L352-Y379 HydrophobicContact CD2-CG 4.2Å; L352-Y379 HydrophobicContact CG-CD2 4.14Å; L352-Y379 HydrophobicContact CG-CG 4.18Å; M358-Y379 HydrophobicContact CE-CE1 4.29Å; M358-Y379 HydrophobicContact CG-CE1 3.73Å; M358-Y379 PolarHBondContact N-OH 2.69Å; M358-Y379 HydrophobicContact SD-CE1 3.84Å; L366-Y379 HydrophobicContact CD1-CD1 3.91Å; L366-Y379 HydrophobicContact CD1-CE1 4.28Å; T375-Y379 PolarHBondContact O-N 3.34Å; V376-Y379 WeakPolarHBondContact O-CB 3.48Å; V376-Y379 PolarHBondContact O-N 3.43Å; R377-Y379 VanDerWaalsContact C-N 3.31Å; R377-Y379 PolarHBondContact O-N 3.44Å; Y379-V381 VanDerWaalsContact C-N 3.34Å; Y379-V381 PolarHBondContact O-N 2.98Å; Y379-A382 WeakPolarHBondContact O-CB 3.2Å; Y379-A382 PolarHBondContact O-N 3.5Å; Y379-A382 VanDerWaalsContact O-N 3.13Å; Y379-R383 HydrophobicContact CD1-CG 4.32Å; Y379-R383 HydrophobicContact CE1-CG 3.92Å; Y379-R383 WeakPolarHBondContact O-CG 3.45Å; Y379-R383 PolarHBondContact O-N 2.94Å
380	A	93.3	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-44.7	175	0	0	0	0	0	112.1	L366 L367 V376 R377 A382 R383 L384	L366-A380 HydrophobicContact CB-CB 3.75Å; L366-A380 HydrophobicContact CD1-CB 4.23Å; L367-A380 HydrophobicContact CD2-CB 3.87Å; L367-A380 HydrophobicContact CG-CB 4.06Å; V376-A380 PolarHBondContact O-N 2.9Å; R377-A380 VanDerWaalsContact O-CB 3.31Å; R377-A380 WeakPolarHBondContact O-CB 3.03Å; R377-A380 PolarHBondContact O-N 3.01Å; R377-A380 VanDerWaalsContact O-N 3.1Å; A380-A382 VanDerWaalsContact C-N 3.32Å; A380-A382 PolarHBondContact O-N 3.33Å; A380-R383 WeakPolarHBondContact O-CB 3.25Å; A380-R383 PolarHBondContact O-N 2.93Å; A380-R383 VanDerWaalsContact O-N 3.12Å; A380-L384 WeakPolarHBondContact O-CG 3.33Å; A380-L384 PolarHBondContact O-N 3.34Å
381	V	93.1	Very high	90.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-39.6	174.9	175.9	0	0	0	0	111.9	R377 R378 Y379 R383 L384 R385 L475 F478	R377-V381 WeakPolarHBondContact O-CG2 3.38Å; R377-V381 PolarHBondContact O-N 3.03Å; R378-V381 PolarHBondContact O-N 3.16Å; Y379-V381 VanDerWaalsContact C-N 3.34Å; Y379-V381 PolarHBondContact O-N 2.98Å; V381-R383 VanDerWaalsContact C-N 3.29Å; V381-R383 PolarHBondContact O-N 3.43Å; V381-L384 PolarHBondContact O-N 3.03Å; V381-R385 PolarHBondContact O-N 3.02Å; V381-L475 HydrophobicContact CG2-CB 3.94Å; V381-L475 HydrophobicContact CG2-CD1 4.18Å; V381-F478 HydrophobicContact CG1-CB 3.59Å; V381-F478 HydrophobicContact CG1-CD1 4.29Å; V381-F478 HydrophobicContact CG1-CD2 4.26Å; V381-F478 HydrophobicContact CG1-CG 3.79Å
382	A	91.7	Very high	91.1	Very high	25 Å²	25	43.8 Å²	43.8	21%	0.207	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-34	175.6	0	0	0	0	0	112.4	R378 Y379 A380	R378-A382 WeakPolarHBondContact O-CB 3.38Å; R378-A382 PolarHBondContact O-N 3.45Å; Y379-A382 WeakPolarHBondContact O-CB 3.2Å; Y379-A382 PolarHBondContact O-N 3.5Å; Y379-A382 VanDerWaalsContact O-N 3.13Å; A380-A382 VanDerWaalsContact C-N 3.32Å; A380-A382 PolarHBondContact O-N 3.33Å
383	R	92.3	Very high	91.3	Very high	30 Å²	30	40.7 Å²	40.7	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-70.2	-45.6	171.7	-58.6	-53	-64.7	146	4.4	111.5	P357 M358 Y379 A380 V381 R385 Q386	P357-R383 VanDerWaalsContact CB-CZ 3.48Å; M358-R383 HydrophobicContact CG-CG 3.94Å; M358-R383 PolarHBondContact O-NE 3.24Å; M358-R383 PolarHBondContact O-NH2 2.86Å; Y379-R383 HydrophobicContact CD1-CG 4.32Å; Y379-R383 HydrophobicContact CE1-CG 3.92Å; Y379-R383 WeakPolarHBondContact O-CG 3.45Å; Y379-R383 PolarHBondContact O-N 2.94Å; A380-R383 WeakPolarHBondContact O-CB 3.25Å; A380-R383 PolarHBondContact O-N 2.93Å; A380-R383 VanDerWaalsContact O-N 3.12Å; V381-R383 VanDerWaalsContact C-N 3.29Å; V381-R383 PolarHBondContact O-N 3.43Å; R383-R385 PolarHBondContact O-N 3.25Å; R383-R385 VanDerWaalsContact O-N 3.16Å; R383-Q386 WeakPolarHBondContact O-CB 3.46Å; R383-Q386 PolarHBondContact O-N 2.93Å
384	L	92.1	Very high	91.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-27	176.7	-71.9	178	0	0	0	113.6	V360 L364 L367 A380 V381 Q386 A387 L399 L475 F478	V360-L384 HydrophobicContact CG1-CD2 3.96Å; L364-L384 HydrophobicContact CD2-CD2 3.87Å; L367-L384 HydrophobicContact CD1-CD1 3.58Å; A380-L384 WeakPolarHBondContact O-CG 3.33Å; A380-L384 PolarHBondContact O-N 3.34Å; V381-L384 PolarHBondContact O-N 3.03Å; L384-Q386 PolarHBondContact O-N 3.5Å; L384-A387 WeakPolarHBondContact O-CB 2.77Å; L384-A387 PolarHBondContact O-N 3.44Å; L384-L399 HydrophobicContact CD1-CD1 4.46Å; L384-L399 HydrophobicContact CD1-CD2 3.73Å; L384-L475 HydrophobicContact CD1-CD1 4.4Å; L384-F478 HydrophobicContact CB-CE1 4.03Å; L384-F478 HydrophobicContact CB-CZ 4.12Å
385	R	90.3	Very high	91.7	Very high	78 Å²	78	39.2 Å²	39.2	29%	0.294	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.5	175	-167.5	-178.3	-67.3	162.2	0	113.3	V381 R383 A387 N470 F478	V381-R385 PolarHBondContact O-N 3.02Å; R383-R385 PolarHBondContact O-N 3.25Å; R383-R385 VanDerWaalsContact O-N 3.16Å; R385-A387 VanDerWaalsContact C-N 3.31Å; R385-N470 PolarHBondContact NH1-OD1 2.85Å; R385-F478 HydrophobicContact CB-CE2 4.02Å; R385-F478 HydrophobicContact CG-CE2 4.25Å
386	Q	90.4	Very high	92	Very high	128 Å²	128	37 Å²	37	60%	0.598	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.4	177.5	-54.8	-174.4	-1.8	0	0	112.5	V360 R383 L384	V360-Q386 HydrophobicContact CG2-CB 4.46Å; R383-Q386 WeakPolarHBondContact O-CB 3.46Å; R383-Q386 PolarHBondContact O-N 2.93Å; L384-Q386 PolarHBondContact O-N 3.5Å
387	A	90.6	Very high	92.1	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	18%	0.18	C	C	.	.	S	Bend	trans	-68.5	141.1	175.7	0	0	0	0	0	110.9	V360 L384 R385 R482	V360-A387 HydrophobicContact CG1-CB 3.75Å; L384-A387 WeakPolarHBondContact O-CB 2.77Å; L384-A387 PolarHBondContact O-N 3.44Å; R385-A387 VanDerWaalsContact C-N 3.31Å; A387-R482 PolarHBondContact O-NH2 3.44Å
388	D	92.1	Very high	92.2	Very high	77 Å²	77	37.3 Å²	37.3	41%	0.412	18%	0.179	S	C	.	.			trans	-71.4	168.8	169.7	69.4	6	0	0	0	111.1	E390 D391 L392	D388-E390 PolarHBondContact O-N 3.34Å; D388-E390 PolarHBondContact OD1-N 3.05Å; D388-D391 WeakPolarHBondContact OD1-CA 3.33Å; D388-D391 WeakPolarHBondContact OD1-CB 3.46Å; D388-D391 PolarHBondContact OD1-N 2.89Å; D388-L392 WeakPolarHBondContact O-CB 3.46Å; D388-L392 PolarHBondContact O-N 3.28Å
389	D	91.7	Very high	92.5	Very high	46 Å²	46	33.7 Å²	33.7	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-26.1	-176.9	-68.3	5.7	0	0	0	111.7	L393 R482 N486 L489	D389-L393 WeakPolarHBondContact O-CB 3.29Å; D389-L393 WeakPolarHBondContact O-CD1 3.47Å; D389-L393 WeakPolarHBondContact O-CG 3.43Å; D389-L393 PolarHBondContact O-N 3.08Å; D389-R482 IonicContact OD1-CZ 2.62Å; D389-R482 IonicContact OD1-NH1 3.81Å; D389-R482 PolarHBondContact OD1-NH1 2.88Å; D389-R482 IonicContact OD1-NH2 3.94Å; D389-R482 PolarHBondContact OD1-NH2 2.99Å; D389-R482 IonicContact OD2-NH1 2.71Å; D389-N486 PolarHBondContact OD2-ND2 3.4Å; D389-L489 HydrophobicContact CB-CD1 4.06Å
390	E	90.1	Very high	92.6	Very high	130 Å²	130	32.6 Å²	32.6	61%	0.607	16%	0.161	S	C	*	.	H	α-helix	trans	-72.6	-45.5	178.9	-66.2	-167.5	176	0	0	112.3	D388 L392 L393 M394	D388-E390 PolarHBondContact O-N 3.34Å; D388-E390 PolarHBondContact OD1-N 3.05Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L393 PolarHBondContact O-N 3.27Å; E390-M394 WeakPolarHBondContact O-CG 3.41Å; E390-M394 PolarHBondContact O-N 3.47Å
391	D	89.9	Confident	92.7	Very high	44 Å²	44	32.8 Å²	32.8	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-41.9	173	-71	-21.8	0	0	0	110.4	D388 L393 M394 Y395 K656	D388-D391 WeakPolarHBondContact OD1-CA 3.33Å; D388-D391 WeakPolarHBondContact OD1-CB 3.46Å; D388-D391 PolarHBondContact OD1-N 2.89Å; D391-L393 VanDerWaalsContact C-N 3.3Å; D391-L393 PolarHBondContact O-N 3.36Å; D391-M394 WeakPolarHBondContact O-CB 3.48Å; D391-M394 PolarHBondContact O-N 3.42Å; D391-Y395 HydrophobicContact CB-CE2 4.11Å; D391-Y395 WeakPolarHBondContact O-CD2 3.42Å; D391-Y395 PolarHBondContact O-N 3.21Å; D391-K656 WeakPolarHBondContact OD1-CE 3.47Å; D391-K656 IonicContact OD1-NZ 3.77Å; D391-K656 PolarHBondContact OD1-NZ 3.47Å
392	L	92.6	Very high	92.7	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-40.1	177.5	-172.6	64.1	0	0	0	111.8	D388 E390 M394 Y395 L396 L399 F478 R482 L489	D388-L392 WeakPolarHBondContact O-CB 3.46Å; D388-L392 PolarHBondContact O-N 3.28Å; E390-L392 VanDerWaalsContact C-N 3.34Å; L392-M394 VanDerWaalsContact C-N 3.27Å; L392-M394 PolarHBondContact O-N 2.87Å; L392-Y395 PolarHBondContact O-N 3.4Å; L392-L396 WeakPolarHBondContact O-CA 3.46Å; L392-L396 WeakPolarHBondContact O-CB 3.31Å; L392-L396 PolarHBondContact O-N 3.32Å; L392-L399 HydrophobicContact CD1-CD1 3.36Å; L392-F478 HydrophobicContact CD1-CE1 4.16Å; L392-F478 HydrophobicContact CD2-CE1 4.49Å; L392-F478 HydrophobicContact CD2-CZ 4.42Å; L392-R482 HydrophobicContact CD2-CB 4.2Å; L392-R482 HydrophobicContact CD2-CG 4.33Å; L392-L489 HydrophobicContact CB-CD2 4.49Å; L392-L489 HydrophobicContact CD2-CD1 3.96Å; L392-L489 HydrophobicContact CD2-CD2 4.11Å; L392-L489 HydrophobicContact CG-CD2 4.17Å
393	L	92.4	Very high	92.8	Very high	42 Å²	42	31.6 Å²	31.6	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-36.7	173.9	-80.2	167.1	0	0	0	112.3	D389 E390 D391 Y395 L396 T488 L489 Y492	D389-L393 WeakPolarHBondContact O-CB 3.29Å; D389-L393 WeakPolarHBondContact O-CD1 3.47Å; D389-L393 WeakPolarHBondContact O-CG 3.43Å; D389-L393 PolarHBondContact O-N 3.08Å; E390-L393 PolarHBondContact O-N 3.27Å; D391-L393 VanDerWaalsContact C-N 3.3Å; D391-L393 PolarHBondContact O-N 3.36Å; L393-Y395 VanDerWaalsContact C-N 3.27Å; L393-Y395 PolarHBondContact O-N 2.92Å; L393-L396 HydrophobicContact CD2-CD2 4.44Å; L393-T488 HydrophobicContact CD1-CG2 3.98Å; L393-T488 HydrophobicContact CD2-CG2 4.18Å; L393-L489 HydrophobicContact CD2-CD2 3.54Å; L393-L489 HydrophobicContact CD2-CG 4.09Å; L393-L489 HydrophobicContact CG-CD2 3.63Å; L393-L489 HydrophobicContact CG-CG 4.17Å; L393-Y492 HydrophobicContact CD2-CD2 3.52Å; L393-Y492 HydrophobicContact CD2-CE2 4.12Å; L393-Y492 HydrophobicContact CD2-CG 4.45Å
394	M	92	Very high	92.7	Very high	50 Å²	50	31.4 Å²	31.4	25%	0.246	15%	0.152	C	C	.	.	H	α-helix	trans	-68.7	-24	178.2	-65.5	-65.1	-179.9	0	0	113.1	E390 D391 L392 Q649 K656	E390-M394 WeakPolarHBondContact O-CG 3.41Å; E390-M394 PolarHBondContact O-N 3.47Å; D391-M394 WeakPolarHBondContact O-CB 3.48Å; D391-M394 PolarHBondContact O-N 3.42Å; L392-M394 VanDerWaalsContact C-N 3.27Å; L392-M394 PolarHBondContact O-N 2.87Å; M394-Q649 PolarHBondContact O-NE2 2.71Å; M394-K656 HydrophobicContact CE-CD 4.35Å
395	Y	93.9	Very high	92.7	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.02	16%	0.158	C	C	.	.	H	α-helix	trans	-107.9	-4.7	180	-46.5	-40	0	0	0	113.5	L364 D391 L392 L393 L397 Q398 L399 L653 L815 L819	L364-Y395 HydrophobicContact CD1-CD1 4.18Å; L364-Y395 HydrophobicContact CD1-CD2 4Å; L364-Y395 HydrophobicContact CD1-CE1 4.43Å; L364-Y395 HydrophobicContact CD1-CE2 4.25Å; L364-Y395 HydrophobicContact CD1-CG 3.96Å; D391-Y395 HydrophobicContact CB-CE2 4.11Å; D391-Y395 WeakPolarHBondContact O-CD2 3.42Å; D391-Y395 PolarHBondContact O-N 3.21Å; L392-Y395 PolarHBondContact O-N 3.4Å; L393-Y395 VanDerWaalsContact C-N 3.27Å; L393-Y395 PolarHBondContact O-N 2.92Å; Y395-L397 VanDerWaalsContact C-N 3.31Å; Y395-L397 PolarHBondContact O-N 3.21Å; Y395-Q398 WeakPolarHBondContact O-CB 3.32Å; Y395-Q398 PolarHBondContact O-N 2.86Å; Y395-Q398 PolarHBondContact O-OE1 3.27Å; Y395-L399 WeakPolarHBondContact O-CG 3.32Å; Y395-L399 PolarHBondContact O-N 3.17Å; Y395-L653 HydrophobicContact CE1-CD1 4.01Å; Y395-L653 HydrophobicContact CE1-CD2 4.35Å; Y395-L815 HydrophobicContact CE1-CD1 3.98Å; Y395-L815 HydrophobicContact CE1-CD2 4.37Å; Y395-L819 HydrophobicContact CD1-CD1 3.98Å; Y395-L819 HydrophobicContact CD1-CD2 3.64Å; Y395-L819 HydrophobicContact CD1-CG 4.41Å; Y395-L819 HydrophobicContact CE1-CD1 4.11Å; Y395-L819 HydrophobicContact CE1-CD2 4.41Å; Y395-L819 HydrophobicContact CG-CD2 4.21Å
396	L	95.4	Very high	92.7	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-40.1	-168.6	-177.6	62.3	0	0	0	113	L392 L393 Q398 L399 V400 L479 L489 L493 Y496	L392-L396 WeakPolarHBondContact O-CA 3.46Å; L392-L396 WeakPolarHBondContact O-CB 3.31Å; L392-L396 PolarHBondContact O-N 3.32Å; L393-L396 HydrophobicContact CD2-CD2 4.44Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.4Å; L396-L399 PolarHBondContact O-N 3.19Å; L396-V400 HydrophobicContact CD1-CG2 4.47Å; L396-V400 WeakPolarHBondContact O-CG2 3.3Å; L396-V400 PolarHBondContact O-N 2.95Å; L396-L479 HydrophobicContact CD1-CD2 4.01Å; L396-L489 HydrophobicContact CD2-CD2 4.13Å; L396-L493 HydrophobicContact CD1-CD1 4.36Å; L396-L493 HydrophobicContact CD2-CB 4.47Å; L396-Y496 HydrophobicContact CB-CD2 4.49Å; L396-Y496 HydrophobicContact CB-CE2 4.09Å; L396-Y496 HydrophobicContact CD2-CD2 4.18Å; L396-Y496 HydrophobicContact CD2-CE2 4.01Å; L396-Y496 HydrophobicContact CG-CD2 3.95Å; L396-Y496 HydrophobicContact CG-CE2 3.95Å
397	L	94.6	Very high	92.5	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.068	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-46.8	177.2	-177.4	63.1	0	0	0	111	Y395 V400 Q401 Y496 L646 M823	Y395-L397 VanDerWaalsContact C-N 3.31Å; Y395-L397 PolarHBondContact O-N 3.21Å; L397-V400 PolarHBondContact O-N 2.94Å; L397-Q401 WeakPolarHBondContact O-CG 3.41Å; L397-Q401 PolarHBondContact O-N 2.9Å; L397-Q401 VanDerWaalsContact O-N 3.13Å; L397-Y496 HydrophobicContact CB-CD2 4.18Å; L397-Y496 HydrophobicContact CB-CE2 3.9Å; L397-Y496 HydrophobicContact CD1-CD1 4.25Å; L397-Y496 HydrophobicContact CD1-CD2 4.07Å; L397-Y496 HydrophobicContact CD1-CE2 4.37Å; L397-Y496 HydrophobicContact CD1-CG 4.01Å; L397-L646 HydrophobicContact CD2-CB 4.39Å; L397-L646 HydrophobicContact CD2-CD1 4.37Å; L397-M823 HydrophobicContact CD2-CE 3.95Å; L397-M823 HydrophobicContact CD2-SD 4.5Å; L397-M823 HydrophobicContact CG-CE 4.01Å; L397-M823 HydrophobicContact CG-SD 4.2Å
398	Q	94.9	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-37	179.5	-66.4	71.9	22.1	0	0	111.7	Y395 L396 Q401 A402 L646 L819 L822 M823	Y395-Q398 WeakPolarHBondContact O-CB 3.32Å; Y395-Q398 PolarHBondContact O-N 2.86Å; Y395-Q398 PolarHBondContact O-OE1 3.27Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.4Å; Q398-Q401 PolarHBondContact O-N 3.43Å; Q398-A402 WeakPolarHBondContact O-CB 3.23Å; Q398-A402 PolarHBondContact O-N 2.99Å; Q398-L646 VanDerWaalsContact NE2-CD1 3.33Å; Q398-L819 HydrophobicContact CB-CD2 3.97Å; Q398-L819 HydrophobicContact CG-CB 4.04Å; Q398-L819 HydrophobicContact CG-CD2 3.65Å; Q398-L819 HydrophobicContact CG-CG 4.44Å; Q398-L819 WeakPolarHBondContact CG-O 3.38Å; Q398-L822 HydrophobicContact CB-CB 3.95Å; Q398-L822 HydrophobicContact CB-CD1 3.94Å; Q398-L822 HydrophobicContact CG-CB 4.4Å; Q398-M823 HydrophobicContact CB-SD 4.39Å; Q398-M823 HydrophobicContact CG-CG 3.88Å; Q398-M823 HydrophobicContact CG-SD 3.79Å
399	L	95.8	Very high	92	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-35.5	175.6	-66.5	174.7	0	0	0	112.3	L364 L367 L384 L392 Y395 L396 Q401 A402 L403 L475 L479	L364-L399 HydrophobicContact CD2-CD2 3.77Å; L367-L399 HydrophobicContact CD1-CD2 3.56Å; L384-L399 HydrophobicContact CD1-CD1 4.46Å; L384-L399 HydrophobicContact CD1-CD2 3.73Å; L392-L399 HydrophobicContact CD1-CD1 3.36Å; Y395-L399 WeakPolarHBondContact O-CG 3.32Å; Y395-L399 PolarHBondContact O-N 3.17Å; L396-L399 PolarHBondContact O-N 3.19Å; L399-Q401 VanDerWaalsContact C-N 3.32Å; L399-A402 PolarHBondContact O-N 3.24Å; L399-L403 PolarHBondContact O-N 2.89Å; L399-L475 HydrophobicContact CD2-CD1 4.34Å; L399-L479 HydrophobicContact CB-CD1 4.28Å; L399-L479 HydrophobicContact CB-CD2 4.2Å; L399-L479 HydrophobicContact CD1-CD2 4.1Å
400	V	95.6	Very high	91.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-37.5	172.2	171.4	0	0	0	0	111	L396 L397 L403 L493 Y496 V497 Y517	L396-V400 HydrophobicContact CD1-CG2 4.47Å; L396-V400 WeakPolarHBondContact O-CG2 3.3Å; L396-V400 PolarHBondContact O-N 2.95Å; L397-V400 PolarHBondContact O-N 2.94Å; V400-L403 WeakPolarHBondContact O-CB 3.38Å; V400-L403 PolarHBondContact O-N 3.11Å; V400-L493 HydrophobicContact CG2-CD1 3.67Å; V400-Y496 HydrophobicContact CG2-CD2 4.44Å; V400-V497 HydrophobicContact CG1-CG2 3.98Å; V400-V497 HydrophobicContact CG2-CG2 4.35Å; V400-Y517 HydrophobicContact CG1-CE1 3.99Å; V400-Y517 WeakPolarHBondContact O-CE1 2.99Å; V400-Y517 PolarHBondContact O-OH 3.21Å
401	Q	94.3	Very high	91.2	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-69.3	-36	173.4	-63.3	-57.8	-40.4	0	0	112.3	L397 Q398 L399 L403 K404 E500 L822 M823 A826	L397-Q401 WeakPolarHBondContact O-CG 3.41Å; L397-Q401 PolarHBondContact O-N 2.9Å; L397-Q401 VanDerWaalsContact O-N 3.13Å; Q398-Q401 PolarHBondContact O-N 3.43Å; L399-Q401 VanDerWaalsContact C-N 3.32Å; Q401-L403 PolarHBondContact O-N 3.47Å; Q401-L403 VanDerWaalsContact O-N 3.11Å; Q401-K404 WeakPolarHBondContact O-CB 3.43Å; Q401-K404 WeakPolarHBondContact O-CG 3.49Å; Q401-K404 PolarHBondContact O-N 2.95Å; Q401-E500 PolarHBondContact NE2-OE1 3.25Å; Q401-L822 WeakPolarHBondContact CB-O 3.42Å; Q401-M823 HydrophobicContact CB-SD 4.26Å; Q401-M823 HydrophobicContact CG-CE 3.95Å; Q401-M823 HydrophobicContact CG-SD 3.62Å; Q401-A826 HydrophobicContact CG-CB 3.94Å
402	A	94.4	Very high	90.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-17.8	178.5	0	0	0	0	0	114	L367 R377 Q398 L399 K404 Y405 L475 L822	L367-A402 HydrophobicContact CB-CB 4.18Å; R377-A402 PolarHBondContact NH2-O 3.26Å; Q398-A402 WeakPolarHBondContact O-CB 3.23Å; Q398-A402 PolarHBondContact O-N 2.99Å; L399-A402 PolarHBondContact O-N 3.24Å; A402-K404 PolarHBondContact O-N 2.96Å; A402-Y405 PolarHBondContact O-N 2.84Å; A402-Y405 VanDerWaalsContact O-N 3.08Å; A402-L475 HydrophobicContact CB-CD2 3.96Å; A402-L822 HydrophobicContact CB-CD2 4.07Å
403	L	93.3	Very high	89.9	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61	-22.6	172.3	-65.1	171.9	0	0	0	112.8	L399 V400 Q401 Y405 E406 L475 C476 L479 M516 V520	L399-L403 PolarHBondContact O-N 2.89Å; V400-L403 WeakPolarHBondContact O-CB 3.38Å; V400-L403 PolarHBondContact O-N 3.11Å; Q401-L403 PolarHBondContact O-N 3.47Å; Q401-L403 VanDerWaalsContact O-N 3.11Å; L403-Y405 PolarHBondContact O-N 3.32Å; L403-E406 HydrophobicContact CD2-CG 4.41Å; L403-E406 PolarHBondContact O-N 3.03Å; L403-L475 HydrophobicContact CD2-CB 4.24Å; L403-L475 HydrophobicContact CD2-CD2 3.97Å; L403-L475 HydrophobicContact CD2-CG 3.9Å; L403-L475 HydrophobicContact CG-CD2 4.47Å; L403-C476 HydrophobicContact CD2-CB 3.93Å; L403-L479 HydrophobicContact CD1-CD1 4.31Å; L403-L479 HydrophobicContact CD2-CD1 4.38Å; L403-L479 HydrophobicContact CG-CD1 4.47Å; L403-M516 HydrophobicContact CB-CE 4.16Å; L403-M516 HydrophobicContact CB-SD 4.13Å; L403-V520 HydrophobicContact CD1-CG1 4.16Å; L403-V520 HydrophobicContact CD1-CG2 4.23Å
404	K	91.3	Very high	88.6	Confident	26 Å²	26	32.7 Å²	32.7	11%	0.113	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.6	-24.3	173.6	-66.3	176.8	169.9	164.6	0	112.9	Q401 A402 F408 E500 T513 M516 Y517 D825	Q401-K404 WeakPolarHBondContact O-CB 3.43Å; Q401-K404 WeakPolarHBondContact O-CG 3.49Å; Q401-K404 PolarHBondContact O-N 2.95Å; A402-K404 PolarHBondContact O-N 2.96Å; K404-F408 WeakPolarHBondContact O-CE1 3.18Å; K404-E500 IonicContact NZ-OE2 2.78Å; K404-E500 PolarHBondContact NZ-OE2 2.98Å; K404-T513 HydrophobicContact CD-CG2 4.16Å; K404-T513 HydrophobicContact CG-CG2 3.78Å; K404-M516 HydrophobicContact CG-CE 4.24Å; K404-Y517 HydrophobicContact CD-CE2 4.42Å; K404-Y517 VanDerWaalsContact CE-CE2 3.46Å; K404-Y517 VanDerWaalsContact CE-OH 3.24Å; K404-Y517 WeakPolarHBondContact CE-OH 3.23Å; K404-Y517 HydrophobicContact CG-CE2 4.05Å; K404-Y517 WeakPolarHBondContact CG-OH 3.35Å; K404-D825 PolarHBondContact NZ-O 3.49Å
405	Y	90.9	Very high	86.9	Confident	37 Å²	37	32.3 Å²	32.3	15%	0.145	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-100.1	1.1	-178.1	-45.6	-52.9	0	0	0	113.1	L367 A402 L403 L822 D825	L367-Y405 WeakPolarHBondContact O-CD2 3.49Å; A402-Y405 PolarHBondContact O-N 2.84Å; A402-Y405 VanDerWaalsContact O-N 3.08Å; L403-Y405 PolarHBondContact O-N 3.32Å; Y405-L822 HydrophobicContact CE2-CD2 4.36Å; Y405-D825 WeakPolarHBondContact CE1-OD2 3.47Å; Y405-D825 PolarHBondContact OH-OD2 3.38Å
406	E	89.9	Confident	84.4	Confident	22 Å²	22	39.5 Å²	39.5	10%	0.103	20%	0.201	C	C	.	.	S	Bend	trans	-79.5	163.1	173.4	-72.1	-63.9	154.2	0	0	111.6	R377 L403 F408 I411 L475	R377-E406 IonicContact CZ-OE1 3.91Å; R377-E406 VanDerWaalsContact CZ-OE1 3.29Å; R377-E406 VanDerWaalsContact NE-CD 3.26Å; R377-E406 IonicContact NE-OE1 3.64Å; R377-E406 PolarHBondContact NE-OE1 3.29Å; R377-E406 IonicContact NE-OE2 3.69Å; R377-E406 IonicContact NH2-OE1 3.61Å; R377-E406 PolarHBondContact NH2-OE1 3.37Å; L403-E406 HydrophobicContact CD2-CG 4.41Å; L403-E406 PolarHBondContact O-N 3.03Å; E406-F408 VanDerWaalsContact O-CD1 3.22Å; E406-F408 WeakPolarHBondContact O-CD1 3.42Å; E406-F408 WeakPolarHBondContact O-CE1 3.47Å; E406-F408 PolarHBondContact O-N 2.86Å; E406-I411 HydrophobicContact CB-CD1 3.91Å; E406-L475 HydrophobicContact CG-CB 4.23Å; E406-L475 WeakPolarHBondContact OE1-CB 3.36Å
407	N	86.9	Confident	81.7	Confident	71 Å²	71	44 Å²	44	38%	0.38	23%	0.231	S	C	.	.			trans	-71.3	116.5	170.3	-175.5	-5.6	0	0	0	110.5	D409 D410 I411	N407-D409 VanDerWaalsContact C-N 3.27Å; N407-D409 PolarHBondContact O-N 2.92Å; N407-D409 PolarHBondContact OD1-N 2.95Å; N407-D409 VanDerWaalsContact OD1-N 3.1Å; N407-D410 HydrophobicContact CB-CB 4.26Å; N407-D410 WeakPolarHBondContact CB-OD2 3.28Å; N407-D410 PolarHBondContact ND2-OD2 2.88Å; N407-D410 PolarHBondContact O-N 3.22Å; N407-I411 PolarHBondContact O-N 2.56Å
408	F	88	Confident	79	Confident	59 Å²	59	48.2 Å²	48.2	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-28.3	-176.5	-63.2	-5.6	0	0	0	113	K404 E406 D410 I411 K412 K512 M516	K404-F408 WeakPolarHBondContact O-CE1 3.18Å; E406-F408 VanDerWaalsContact O-CD1 3.22Å; E406-F408 WeakPolarHBondContact O-CD1 3.42Å; E406-F408 WeakPolarHBondContact O-CE1 3.47Å; E406-F408 PolarHBondContact O-N 2.86Å; F408-D410 VanDerWaalsContact C-N 3.35Å; F408-I411 PolarHBondContact O-N 3.03Å; F408-K412 WeakPolarHBondContact O-CB 3.26Å; F408-K412 PolarHBondContact O-N 2.87Å; F408-K512 HydrophobicContact CD2-CB 4.38Å; F408-K512 HydrophobicContact CE2-CB 4.08Å; F408-M516 HydrophobicContact CD1-CB 4.11Å; F408-M516 HydrophobicContact CD1-CG 3.67Å; F408-M516 HydrophobicContact CD2-CB 4.25Å; F408-M516 HydrophobicContact CE1-CB 4.21Å; F408-M516 HydrophobicContact CE1-CE 4.42Å; F408-M516 HydrophobicContact CE1-CG 3.86Å; F408-M516 HydrophobicContact CE2-CB 4.34Å; F408-M516 HydrophobicContact CG-CB 4.15Å; F408-M516 HydrophobicContact CG-CG 4.13Å; F408-M516 HydrophobicContact CZ-CB 4.33Å; F408-M516 HydrophobicContact CZ-CG 4.44Å
409	D	83.8	Confident	76.1	Confident	100 Å²	100	57.8 Å²	57.8	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-38.5	176.2	-70.4	-37.4	0	0	0	110.9	N407 I411 K412 N413	N407-D409 VanDerWaalsContact C-N 3.27Å; N407-D409 PolarHBondContact O-N 2.92Å; N407-D409 PolarHBondContact OD1-N 2.95Å; N407-D409 VanDerWaalsContact OD1-N 3.1Å; D409-I411 VanDerWaalsContact C-N 3.34Å; D409-I411 PolarHBondContact O-N 3.41Å; D409-K412 PolarHBondContact O-N 3.44Å; D409-N413 VanDerWaalsContact O-CB 3.24Å; D409-N413 WeakPolarHBondContact O-CB 3.21Å; D409-N413 PolarHBondContact O-N 3.07Å; D409-N413 PolarHBondContact O-ND2 2.86Å; D409-N413 VanDerWaalsContact O-ND2 3.07Å
410	D	82.1	Confident	73.3	Confident	55 Å²	55	66.1 Å²	66.1	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-41.6	175.8	-66.3	-20	0	0	0	110.6	N407 F408 K412 N413 G414	N407-D410 HydrophobicContact CB-CB 4.26Å; N407-D410 WeakPolarHBondContact CB-OD2 3.28Å; N407-D410 PolarHBondContact ND2-OD2 2.88Å; N407-D410 PolarHBondContact O-N 3.22Å; F408-D410 VanDerWaalsContact C-N 3.35Å; D410-K412 VanDerWaalsContact C-N 3.35Å; D410-K412 PolarHBondContact O-N 3.17Å; D410-N413 PolarHBondContact O-N 2.87Å; D410-G414 PolarHBondContact O-N 3.22Å
411	I	82.4	Confident	70.3	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.015	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-43.1	175.4	-64.3	174.5	0	0	0	111	E406 N407 F408 D409 C476 M516 N519 V520 R523	E406-I411 HydrophobicContact CB-CD1 3.91Å; N407-I411 PolarHBondContact O-N 2.56Å; F408-I411 PolarHBondContact O-N 3.03Å; D409-I411 VanDerWaalsContact C-N 3.34Å; D409-I411 PolarHBondContact O-N 3.41Å; I411-C476 HydrophobicContact CG1-CB 4.24Å; I411-M516 HydrophobicContact CD1-CG 3.68Å; I411-M516 HydrophobicContact CD1-SD 3.9Å; I411-N519 HydrophobicContact CG2-CB 4.28Å; I411-V520 HydrophobicContact CG2-CG2 3.82Å; I411-R523 WeakPolarHBondContact O-CD 3.49Å; I411-R523 PolarHBondContact O-NH1 3.37Å
412	K	81.6	Confident	67.3	Low	102 Å²	102	77.5 Å²	77.5	44%	0.443	41%	0.405	S	S	.	.	H	α-helix	trans	-69.8	-43.8	179.8	-173.9	176	178.9	173.2	0	112	F408 D409 D410 G414 L415	F408-K412 WeakPolarHBondContact O-CB 3.26Å; F408-K412 PolarHBondContact O-N 2.87Å; D409-K412 PolarHBondContact O-N 3.44Å; D410-K412 VanDerWaalsContact C-N 3.35Å; D410-K412 PolarHBondContact O-N 3.17Å; K412-G414 VanDerWaalsContact C-N 3.29Å; K412-G414 PolarHBondContact O-N 3.08Å; K412-L415 WeakPolarHBondContact O-CB 3.46Å; K412-L415 WeakPolarHBondContact O-CD1 3.48Å; K412-L415 PolarHBondContact O-N 3Å
413	N	74.4	Confident	64.2	Low	101 Å²	101	86.5 Å²	86.5	54%	0.54	45%	0.447	S	S	.	.	H	α-helix	trans	-70.9	-24.1	-177.6	-68.6	-28.1	0	0	0	112.7	D409 D410 L415 E416	D409-N413 VanDerWaalsContact O-CB 3.24Å; D409-N413 WeakPolarHBondContact O-CB 3.21Å; D409-N413 PolarHBondContact O-N 3.07Å; D409-N413 PolarHBondContact O-ND2 2.86Å; D409-N413 VanDerWaalsContact O-ND2 3.07Å; D410-N413 PolarHBondContact O-N 2.87Å; N413-L415 PolarHBondContact O-N 3.26Å; N413-E416 PolarHBondContact O-N 2.92Å
414	G	65.2	Low	61.1	Low	33 Å²	33	91 Å²	91	34%	0.34	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	4.3	172	0	0	0	0	0	115.7	D410 K412 R523	D410-G414 PolarHBondContact O-N 3.22Å; K412-G414 VanDerWaalsContact C-N 3.29Å; K412-G414 PolarHBondContact O-N 3.08Å; G414-R523 PolarHBondContact O-NE 3.46Å; G414-R523 VanDerWaalsContact O-NE 3.11Å
415	L	55.3	Low	58	Low	43 Å²	43	95.3 Å²	95.3	23%	0.225	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.9	167	-77.7	160.8	0	0	0	112.7	K412 N413 R523 Q526	K412-L415 WeakPolarHBondContact O-CB 3.46Å; K412-L415 WeakPolarHBondContact O-CD1 3.48Å; K412-L415 PolarHBondContact O-N 3Å; N413-L415 PolarHBondContact O-N 3.26Å; L415-R523 HydrophobicContact CD2-CG 3.7Å; L415-R523 HydrophobicContact CG-CG 3.79Å; L415-Q526 VanDerWaalsContact CD2-OE1 3.25Å
416	E	41.8	Very low	55	Low	155 Å²	155	100.2 Å²	100.2	72%	0.724	55%	0.545	S	S	*	.	S	Bend	trans	-81.8	131.3	-180	-68.4	-95.5	137.9	0	0	110	N413 T418	N413-E416 PolarHBondContact O-N 2.92Å; E416-T418 PolarHBondContact O-N 3.06Å
417	P	38.9	Very low	52.1	Low	98 Å²	98	104.5 Å²	104.5	64%	0.636	58%	0.578	S	S	*	*			trans	-63.9	123.4	177.3	24.2	-29.6	0	0	0	110.6	K419	P417-K419 PolarHBondContact O-N 2.85Å; P417-K419 VanDerWaalsContact O-N 3.08Å
418	T	37.7	Very low	49.2	Very low	103 Å²	103	110.6 Å²	110.6	63%	0.632	60%	0.604	S	S	*	*			trans	-57.1	113.5	165.8	36.8	0	0	0	0	108.6	E416 K420	E416-T418 PolarHBondContact O-N 3.06Å; T418-K420 PolarHBondContact O-N 2.89Å
419	K	35.3	Very low	46.3	Very low	200 Å²	200	115.1 Å²	115.1	87%	0.87	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	3.3	-179.9	-73.5	-178.9	175.8	176.4	0	115.4	P417	P417-K419 PolarHBondContact O-N 2.85Å; P417-K419 VanDerWaalsContact O-N 3.08Å
420	K	36.2	Very low	43.5	Very low	176 Å²	176	118.6 Å²	118.6	77%	0.765	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-20.2	-177.8	-81.1	-175.3	174.2	-179.8	0	114.5	T418 S422	T418-K420 PolarHBondContact O-N 2.89Å; K420-S422 VanDerWaalsContact C-N 3.34Å; K420-S422 PolarHBondContact O-N 2.83Å
421	D	32.9	Very low	40.9	Very low	136 Å²	136	121 Å²	121	73%	0.727	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	3.8	-175.9	-68.1	-32.3	0	0	0	114.6
422	S	30.4	Very low	38.1	Very low	107 Å²	107	128.4 Å²	128.4	75%	0.748	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	5.9	-179.1	-43.2	0	0	0	0	114.5	K420	K420-S422 VanDerWaalsContact C-N 3.34Å; K420-S422 PolarHBondContact O-N 2.83Å
423	Q	30.1	Very low	35.4	Very low	188 Å²	188	128.8 Å²	128.8	88%	0.879	73%	0.725	S	S	*	*	S	Bend	trans	-116.8	58.9	175.9	-75.5	-172.9	-11.8	0	0	111.4
424	S	29	Very low	33	Very low	95 Å²	95	127.3 Å²	127.3	66%	0.664	73%	0.733	S	S	*	*	S	Bend	trans	-152.4	123.4	154.5	55.1	0	0	0	0	110.2
425	S	25.2	Very low	31.2	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	75%	0.754	S	S	*	*	S	Bend	trans	72.4	120.6	-174.3	77.3	0	0	0	0	114.3
426	V	28.6	Very low	29.8	Very low	140 Å²	140	137.9 Å²	137.9	85%	0.848	78%	0.781	S	S	*	*			cis	-150.1	140.2	37.5	174.5	0	0	0	0	109.9
427	S	28	Very low	29	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	78%	0.781	S	S	*	*			trans	-76.6	139.9	174.1	-47.4	0	0	0	0	112.1
428	E	26.8	Very low	28.3	Very low	199 Å²	199	135 Å²	135	93%	0.93	79%	0.785	S	S	*	*			trans	-157.9	138.5	141.2	-115.9	176	-163.8	0	0	112
429	N	26.1	Very low	27.8	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	80%	0.798	S	S	*	*			trans	-70.3	147.7	-171.2	-64.7	-46.4	0	0	0	113
430	L	26.6	Very low	27.4	Very low	172 Å²	172	136.8 Å²	136.8	90%	0.901	79%	0.793	S	S	*	*				-162	134.8	126.7	-125.5	91.6	0	0	0	110.9
431	S	25.8	Very low	26.9	Very low	105 Å²	105	136 Å²	136	73%	0.734	80%	0.797	S	S	*	*			trans	-57.1	139.4	177.5	48.1	0	0	0	0	114.8
432	N	25.2	Very low	26.5	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	80%	0.795	S	S	*	*				-157.2	138.8	129.6	-133.7	-1.4	0	0	0	113.4
433	S	23.9	Very low	26.4	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	80%	0.801	S	S	*	*			trans	-77.7	155.1	-176.4	45.4	0	0	0	0	115
434	G	25	Very low	26.3	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	80%	0.798	S	S	*	*			trans	151.6	91	161.8	0	0	0	0	0	111.7
435	I	26.6	Very low	26.3	Very low	151 Å²	151	137.6 Å²	137.6	77%	0.774	81%	0.806	S	S	*	*				75	122.2	88.7	-67.3	176	0	0	0	114.5
436	N	25.6	Very low	26.4	Very low	148 Å²	148	138 Å²	138	79%	0.791	80%	0.798	S	S	*	*			trans	71.5	142.8	161	-63.4	-13.1	0	0	0	117.9
437	S	26.1	Very low	26.2	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	80%	0.796	S	S	*	*			cis	-169.7	126.3	7.3	34.7	0	0	0	0	105.6
438	A	24.2	Very low	26	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	79%	0.792	S	S	*	*				54.1	112.8	100.2	0	0	0	0	0	116.2
439	E	26.9	Very low	26.5	Very low	192 Å²	192	133.5 Å²	133.5	90%	0.897	79%	0.786	S	S	*	*			trans	170	93.5	142.4	-95.9	177	-168.8	0	0	105.6
440	I	26.8	Very low	26.5	Very low	148 Å²	148	133.9 Å²	133.9	76%	0.759	79%	0.787	S	S	*	*				43.3	100.7	76.2	-50.9	178.4	0	0	0	112.1
441	D	24.8	Very low	27	Very low	160 Å²	160	131.1 Å²	131.1	86%	0.856	78%	0.779	S	S	*	*				-148.3	141.4	112.1	-139.7	-7.8	0	0	0	112.7
442	S	26.1	Very low	27.7	Very low	98 Å²	98	131.4 Å²	131.4	69%	0.685	78%	0.779	S	S	*	*			trans	-117.4	146.8	-169.8	-60.8	0	0	0	0	109.4
443	S	27.9	Very low	27.7	Very low	126 Å²	126	131.1 Å²	131.1	88%	0.881	78%	0.782	S	S	*	*			trans	-155.1	100.5	144.6	57.2	0	0	0	0	110.5
444	Q	28.1	Very low	27.8	Very low	173 Å²	173	130.6 Å²	130.6	81%	0.808	78%	0.779	S	S	*	*			trans	-87.2	149.6	160.1	-72.1	-178.7	-24.8	0	0	110
445	I	27.9	Very low	27.9	Very low	162 Å²	162	132.6 Å²	132.6	83%	0.831	78%	0.782	S	S	*	*			trans	-140.5	97.9	148.4	-58.2	-178.2	0	0	0	104.6
446	I	27.9	Very low	28.1	Very low	127 Å²	127	131 Å²	131	65%	0.651	78%	0.782	S	S	*	*				59.2	118.2	86.2	-53.8	175.5	0	0	0	110.6
447	T	24.3	Very low	28.6	Very low	131 Å²	131	129.6 Å²	129.6	80%	0.804	78%	0.78	S	S	*	*				-173.1	148.9	61.6	-12.5	0	0	0	0	112.8
448	S	24.1	Very low	28.7	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	78%	0.784	S	S	*	*			trans	-79.8	-167.1	173	51	0	0	0	0	114.1
449	P	37.9	Very low	28.8	Very low	123 Å²	123	131 Å²	131	80%	0.799	79%	0.788	S	S	*	*			cis	-145.9	176.7	10.7	38.7	-14.3	0	0	0	120
450	L	25.7	Very low	28.7	Very low	161 Å²	161	127.1 Å²	127.1	84%	0.843	78%	0.782	S	S	*	*			trans	-65.8	-173.2	171.4	-82.3	133.5	0	0	0	115.2
451	P	35.9	Very low	28.9	Very low	114 Å²	114	130.2 Å²	130.2	74%	0.74	79%	0.79	S	S	*	*			cis	-148.1	-141	21.2	34.5	-4.3	0	0	0	115.9
452	P	40.9	Very low	28.9	Very low	111 Å²	111	129.2 Å²	129.2	72%	0.721	79%	0.789	S	S	*	*				-128.6	163.5	-93.6	41.2	-23.3	0	0	0	116.1
453	V	25.9	Very low	28.9	Very low	153 Å²	153	134.2 Å²	134.2	93%	0.927	80%	0.799	S	S	*	*			trans	-148.7	133.5	154.9	-172.1	0	0	0	0	112.1
454	S	25.5	Very low	28.8	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	80%	0.8	S	S	*	*			trans	-98	136.7	-177.4	48.1	0	0	0	0	114
455	S	26.5	Very low	28.8	Very low	111 Å²	111	135 Å²	135	78%	0.776	80%	0.797	S	S	*	*				131.5	170.4	111.1	62.5	0	0	0	0	112
456	P	32.1	Very low	29.1	Very low	118 Å²	118	132.5 Å²	132.5	77%	0.766	79%	0.791	S	S	*	*				-121.4	-167.8	-59.7	41.7	-24.8	0	0	0	112.3
457	P	36.3	Very low	29.3	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	79%	0.793	S	S	*	*			trans	-97.5	176.9	-146.9	43	-42.5	0	0	0	116.7
458	P	27.2	Very low	29.7	Very low	127 Å²	127	130.1 Å²	130.1	83%	0.825	79%	0.793	S	S	*	*				-138.6	150.1	118.5	35.3	-21.3	0	0	0	115.1
459	A	25.6	Very low	30.3	Very low	97 Å²	97	133.6 Å²	133.6	80%	0.802	80%	0.798	S	S	*	*			trans	-68.7	142.6	177.3	0	0	0	0	0	113.4
460	S	24.8	Very low	30.6	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	78%	0.782	S	S	*	*			trans	-174.9	108	131.4	41.2	0	0	0	0	112.3
461	K	30.9	Very low	31.8	Very low	214 Å²	214	128.6 Å²	128.6	93%	0.93	77%	0.765	S	S	*	*			trans	30.4	95.2	145.4	-63.5	-179.6	178.1	179.6	0	117.5
462	T	25.6	Very low	33	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	77%	0.765	S	S	*	*			trans	-113.1	125.4	151.3	14.3	0	0	0	0	109.2	E464	T462-E464 PolarHBondContact O-N 2.83Å
463	K	26.7	Very low	34.8	Very low	204 Å²	204	128.9 Å²	128.9	89%	0.887	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-51.3	126	174.8	-75.8	171.8	170.5	177.4	0	109.8	V465	K463-V465 PolarHBondContact O-N 2.62Å
464	E	25.6	Very low	37.8	Very low	191 Å²	191	122.9 Å²	122.9	89%	0.893	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.4	126.6	170.2	-68.5	173.8	165.3	0	0	109.8	T462	T462-E464 PolarHBondContact O-N 2.83Å
465	V	27.3	Very low	41	Very low	123 Å²	123	118 Å²	118	75%	0.745	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-75.7	127.6	166	177.6	0	0	0	0	106.1	K463 D467	K463-V465 PolarHBondContact O-N 2.62Å; V465-D467 PolarHBondContact O-N 3.32Å
466	P	34.8	Very low	44.2	Very low	110 Å²	110	112.8 Å²	112.8	71%	0.714	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-73.2	133.1	179.4	29.3	-31.5	0	0	0	110.5
467	D	32.6	Very low	47.1	Very low	131 Å²	131	109 Å²	109	70%	0.701	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-51.2	152.1	-172	-68.9	-58.6	0	0	0	117.1	V465 E469	V465-D467 PolarHBondContact O-N 3.32Å; D467-E469 PolarHBondContact O-N 2.85Å
468	G	31.9	Very low	49.8	Very low	78 Å²	78	103.6 Å²	103.6	80%	0.804	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	23.8	-178.2	0	0	0	0	0	117.2
469	E	36.5	Very low	53	Low	175 Å²	175	97.9 Å²	97.9	82%	0.818	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.4	171.4	-70.1	-166.2	152.9	0	0	113.3	D467	D467-E469 PolarHBondContact O-N 2.85Å
470	N	44.4	Very low	56.3	Low	87 Å²	87	93.9 Å²	93.9	47%	0.465	51%	0.506	S	S	.	.			trans	-97.6	9.2	-159.2	-95.4	-53.6	0	0	0	117.7	R385	R385-N470 PolarHBondContact NH1-OD1 2.85Å
471	L	52.1	Low	59.5	Low	91 Å²	91	90.8 Å²	90.8	48%	0.476	48%	0.484	S	S	.	.			trans	-94.4	7.3	-173.8	-81.8	155.4	0	0	0	115.3	R378	R378-L471 WeakPolarHBondContact CB-O 3.38Å; R378-L471 WeakPolarHBondContact CD-O 3.38Å
472	E	59.7	Low	62.4	Low	158 Å²	158	82.7 Å²	82.7	74%	0.738	45%	0.448	S	S	*	.			trans	-94.1	-10.3	-164.8	-65.2	-165	159.8	0	0	116.9
473	Q	79.4	Confident	65.7	Low	73 Å²	73	76.2 Å²	76.2	34%	0.341	41%	0.408	S	S	.	.			trans	-90.6	131.1	-173.1	-70.8	-178.6	-4.2	0	0	113.5
474	D	88.5	Confident	68.8	Low	27 Å²	27	67.8 Å²	67.8	14%	0.144	38%	0.375	C	S	.	.			trans	-74.7	165.3	169.2	69.1	44.1	0	0	0	112.5	C476 T477 F478 R523	D474-C476 PolarHBondContact O-N 3.32Å; D474-C476 WeakPolarHBondContact OD1-CB 3.45Å; D474-C476 PolarHBondContact OD1-N 2.87Å; D474-C476 VanDerWaalsContact OD1-N 3.13Å; D474-T477 PolarHBondContact O-N 3.5Å; D474-T477 WeakPolarHBondContact OD1-CB 3.39Å; D474-T477 PolarHBondContact OD1-N 2.87Å; D474-T477 PolarHBondContact OD1-OG1 3.09Å; D474-T477 PolarHBondContact OD2-OG1 2.9Å; D474-F478 WeakPolarHBondContact O-CB 3.46Å; D474-F478 PolarHBondContact O-N 2.93Å; D474-R523 IonicContact OD2-NH1 3.38Å
475	L	92.6	Very high	72	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-40.7	-177.9	178.9	61.5	0	0	0	112.4	L367 V381 L384 L399 A402 L403 E406 F478 L479	L367-L475 HydrophobicContact CD1-CD1 4.27Å; L367-L475 HydrophobicContact CD1-CD2 4.25Å; L367-L475 HydrophobicContact CD2-CD2 4.47Å; V381-L475 HydrophobicContact CG2-CB 3.94Å; V381-L475 HydrophobicContact CG2-CD1 4.18Å; L384-L475 HydrophobicContact CD1-CD1 4.4Å; L399-L475 HydrophobicContact CD2-CD1 4.34Å; A402-L475 HydrophobicContact CB-CD2 3.96Å; L403-L475 HydrophobicContact CD2-CB 4.24Å; L403-L475 HydrophobicContact CD2-CD2 3.97Å; L403-L475 HydrophobicContact CD2-CG 3.9Å; L403-L475 HydrophobicContact CG-CD2 4.47Å; E406-L475 HydrophobicContact CG-CB 4.23Å; E406-L475 WeakPolarHBondContact OE1-CB 3.36Å; L475-F478 HydrophobicContact CD1-CD1 4.33Å; L475-F478 PolarHBondContact O-N 2.82Å; L475-L479 HydrophobicContact CD1-CD1 4.26Å; L475-L479 HydrophobicContact CD1-CG 4.15Å; L475-L479 HydrophobicContact CG-CD1 4.19Å; L475-L479 HydrophobicContact CG-CG 4.47Å; L475-L479 WeakPolarHBondContact O-CG 3.21Å; L475-L479 PolarHBondContact O-N 3.03Å
476	C	93.9	Very high	75.2	Confident	1 Å²	1	62 Å²	62	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-47.8	-179.2	-178.5	0	0	0	0	111.5	L403 I411 D474 F478 L479 I480	L403-C476 HydrophobicContact CD2-CB 3.93Å; I411-C476 HydrophobicContact CG1-CB 4.24Å; D474-C476 PolarHBondContact O-N 3.32Å; D474-C476 WeakPolarHBondContact OD1-CB 3.45Å; D474-C476 PolarHBondContact OD1-N 2.87Å; D474-C476 VanDerWaalsContact OD1-N 3.13Å; C476-F478 VanDerWaalsContact C-N 3.34Å; C476-F478 PolarHBondContact O-N 3.07Å; C476-L479 PolarHBondContact O-N 3.25Å; C476-I480 WeakPolarHBondContact O-CB 3.37Å; C476-I480 VanDerWaalsContact O-CG1 3.31Å; C476-I480 WeakPolarHBondContact O-CG1 3.24Å; C476-I480 PolarHBondContact O-N 2.93Å
477	T	91.9	Very high	77.9	Confident	39 Å²	39	60 Å²	60	24%	0.239	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.6	-54.6	0	0	0	0	110.5	D474 S481 R523	D474-T477 PolarHBondContact O-N 3.5Å; D474-T477 WeakPolarHBondContact OD1-CB 3.39Å; D474-T477 PolarHBondContact OD1-N 2.87Å; D474-T477 PolarHBondContact OD1-OG1 3.09Å; D474-T477 PolarHBondContact OD2-OG1 2.9Å; T477-S481 WeakPolarHBondContact O-CB 3.47Å; T477-S481 PolarHBondContact O-N 3.25Å; T477-R523 PolarHBondContact OG1-NH2 2.95Å
478	F	93.3	Very high	80.9	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-51.8	174.7	168.8	-106.5	0	0	0	112.2	V381 L384 R385 L392 D474 L475 C476 I480 S481 R482	V381-F478 HydrophobicContact CG1-CB 3.59Å; V381-F478 HydrophobicContact CG1-CD1 4.29Å; V381-F478 HydrophobicContact CG1-CD2 4.26Å; V381-F478 HydrophobicContact CG1-CG 3.79Å; L384-F478 HydrophobicContact CB-CE1 4.03Å; L384-F478 HydrophobicContact CB-CZ 4.12Å; R385-F478 HydrophobicContact CB-CE2 4.02Å; R385-F478 HydrophobicContact CG-CE2 4.25Å; L392-F478 HydrophobicContact CD1-CE1 4.16Å; L392-F478 HydrophobicContact CD2-CE1 4.49Å; L392-F478 HydrophobicContact CD2-CZ 4.42Å; D474-F478 WeakPolarHBondContact O-CB 3.46Å; D474-F478 PolarHBondContact O-N 2.93Å; L475-F478 HydrophobicContact CD1-CD1 4.33Å; L475-F478 PolarHBondContact O-N 2.82Å; C476-F478 VanDerWaalsContact C-N 3.34Å; C476-F478 PolarHBondContact O-N 3.07Å; F478-I480 PolarHBondContact O-N 3.36Å; F478-S481 PolarHBondContact O-N 3.3Å; F478-R482 HydrophobicContact CD2-CG 3.95Å; F478-R482 HydrophobicContact CE1-CG 4.45Å; F478-R482 HydrophobicContact CE2-CG 3.52Å; F478-R482 HydrophobicContact CZ-CG 3.82Å; F478-R482 WeakPolarHBondContact O-CG 3.35Å; F478-R482 PolarHBondContact O-N 3.46Å
479	L	95.1	Very high	84	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-45.2	-179.7	-69	176.4	0	0	0	111.7	L396 L399 L403 L475 C476 R482 A483 L493	L396-L479 HydrophobicContact CD1-CD2 4.01Å; L399-L479 HydrophobicContact CB-CD1 4.28Å; L399-L479 HydrophobicContact CB-CD2 4.2Å; L399-L479 HydrophobicContact CD1-CD2 4.1Å; L403-L479 HydrophobicContact CD1-CD1 4.31Å; L403-L479 HydrophobicContact CD2-CD1 4.38Å; L403-L479 HydrophobicContact CG-CD1 4.47Å; L475-L479 HydrophobicContact CD1-CD1 4.26Å; L475-L479 HydrophobicContact CD1-CG 4.15Å; L475-L479 HydrophobicContact CG-CD1 4.19Å; L475-L479 HydrophobicContact CG-CG 4.47Å; L475-L479 WeakPolarHBondContact O-CG 3.21Å; L475-L479 PolarHBondContact O-N 3.03Å; C476-L479 PolarHBondContact O-N 3.25Å; L479-R482 PolarHBondContact O-N 2.93Å; L479-A483 VanDerWaalsContact O-CB 3.24Å; L479-A483 WeakPolarHBondContact O-CB 3.38Å; L479-A483 PolarHBondContact O-N 2.86Å; L479-L493 HydrophobicContact CB-CD2 4.5Å
480	I	93.9	Very high	86.8	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-44.5	177.8	-70.1	170.7	0	0	0	110.8	C476 F478 A483 C484 R523 F524 A527	C476-I480 WeakPolarHBondContact O-CB 3.37Å; C476-I480 VanDerWaalsContact O-CG1 3.31Å; C476-I480 WeakPolarHBondContact O-CG1 3.24Å; C476-I480 PolarHBondContact O-N 2.93Å; F478-I480 PolarHBondContact O-N 3.36Å; I480-A483 PolarHBondContact O-N 2.89Å; I480-C484 PolarHBondContact O-N 2.96Å; I480-C484 PolarHBondContact O-SG 3.21Å; I480-R523 HydrophobicContact CD1-CB 3.7Å; I480-F524 HydrophobicContact CD1-CB 4.26Å; I480-F524 HydrophobicContact CG1-CB 4.18Å; I480-F524 HydrophobicContact CG1-CD2 4.15Å; I480-F524 HydrophobicContact CG2-CD2 4.21Å; I480-A527 HydrophobicContact CG2-CB 3.46Å; I480-A527 VanDerWaalsContact CG2-CB 3.46Å
481	S	92.3	Very high	89.3	Confident	44 Å²	44	38.6 Å²	38.6	31%	0.308	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-42.9	179.4	-179.6	0	0	0	0	112.2	T477 F478	T477-S481 WeakPolarHBondContact O-CB 3.47Å; T477-S481 PolarHBondContact O-N 3.25Å; F478-S481 PolarHBondContact O-N 3.3Å
482	R	93.2	Very high	91.4	Very high	44 Å²	44	35.8 Å²	35.8	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-42.4	175.7	-64.3	-68.6	-95.7	122	-3.4	111.7	A387 D389 L392 F478 L479 C484 K485 N486	A387-R482 PolarHBondContact O-NH2 3.44Å; D389-R482 IonicContact OD1-CZ 2.62Å; D389-R482 IonicContact OD1-NH1 3.81Å; D389-R482 PolarHBondContact OD1-NH1 2.88Å; D389-R482 IonicContact OD1-NH2 3.94Å; D389-R482 PolarHBondContact OD1-NH2 2.99Å; D389-R482 IonicContact OD2-NH1 2.71Å; L392-R482 HydrophobicContact CD2-CB 4.2Å; L392-R482 HydrophobicContact CD2-CG 4.33Å; F478-R482 HydrophobicContact CD2-CG 3.95Å; F478-R482 HydrophobicContact CE1-CG 4.45Å; F478-R482 HydrophobicContact CE2-CG 3.52Å; F478-R482 HydrophobicContact CZ-CG 3.82Å; F478-R482 WeakPolarHBondContact O-CG 3.35Å; F478-R482 PolarHBondContact O-N 3.46Å; L479-R482 PolarHBondContact O-N 2.93Å; R482-C484 VanDerWaalsContact C-N 3.34Å; R482-C484 PolarHBondContact O-N 2.84Å; R482-K485 PolarHBondContact O-N 2.92Å; R482-N486 PolarHBondContact O-N 3.42Å
483	A	93.9	Very high	93.2	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-39.7	176.4	0	0	0	0	0	112.6	L479 I480 K485 N486 A490 L493 F524	L479-A483 VanDerWaalsContact O-CB 3.24Å; L479-A483 WeakPolarHBondContact O-CB 3.38Å; L479-A483 PolarHBondContact O-N 2.86Å; I480-A483 PolarHBondContact O-N 2.89Å; A483-K485 PolarHBondContact O-N 3.25Å; A483-K485 VanDerWaalsContact O-N 3.13Å; A483-N486 CarbonylContact O-C 3.55Å; A483-N486 PolarHBondContact O-N 2.75Å; A483-A490 HydrophobicContact CB-CB 4.23Å; A483-A490 WeakPolarHBondContact O-CB 3.35Å; A483-L493 HydrophobicContact CB-CD2 3.56Å; A483-F524 HydrophobicContact CB-CE2 3.78Å; A483-F524 HydrophobicContact CB-CZ 4.29Å
484	C	92.9	Very high	94	Very high	27 Å²	27	26.5 Å²	26.5	18%	0.182	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-21.7	176.1	-67.2	0	0	0	0	113.1	I480 R482 V535	I480-C484 PolarHBondContact O-N 2.96Å; I480-C484 PolarHBondContact O-SG 3.21Å; R482-C484 VanDerWaalsContact C-N 3.34Å; R482-C484 PolarHBondContact O-N 2.84Å; C484-V535 HydrophobicContact CB-CG2 4.39Å; C484-V535 WeakPolarHBondContact O-CG2 3.41Å
485	K	92	Very high	94.4	Very high	160 Å²	160	25.2 Å²	25.2	70%	0.696	13%	0.132	S	C	*	.	H	α-helix	trans	-92.8	-18.5	179.1	-63.9	178.3	-176.1	-177.9	0	113.6	R482 A483	R482-K485 PolarHBondContact O-N 2.92Å; A483-K485 PolarHBondContact O-N 3.25Å; A483-K485 VanDerWaalsContact O-N 3.13Å
486	N	93.9	Very high	94.6	Very high	32 Å²	32	26.3 Å²	26.3	17%	0.171	14%	0.137	C	C	.	.			trans	-135.4	116.1	-175.4	-178.9	-32.2	0	0	0	110.8	D389 R482 A483 T488 L489 A490	D389-N486 PolarHBondContact OD2-ND2 3.4Å; R482-N486 PolarHBondContact O-N 3.42Å; A483-N486 CarbonylContact O-C 3.55Å; A483-N486 PolarHBondContact O-N 2.75Å; N486-T488 VanDerWaalsContact C-N 3.28Å; N486-T488 PolarHBondContact O-N 3.12Å; N486-T488 WeakPolarHBondContact OD1-CA 3.45Å; N486-T488 WeakPolarHBondContact OD1-CB 3.36Å; N486-T488 PolarHBondContact OD1-N 2.96Å; N486-L489 HydrophobicContact CB-CB 4.1Å; N486-L489 HydrophobicContact CB-CD1 3.91Å; N486-L489 HydrophobicContact CB-CG 4.26Å; N486-L489 PolarHBondContact O-N 3.18Å; N486-L489 PolarHBondContact OD1-N 2.97Å; N486-A490 PolarHBondContact O-N 2.82Å
487	S	92.8	Very high	94.7	Very high	68 Å²	68	26.4 Å²	26.4	48%	0.476	14%	0.137	S	C	.	.	H	α-helix	trans	-61.6	-31.8	-178.1	55.8	0	0	0	0	114.1	N491	S487-N491 WeakPolarHBondContact O-CB 3.43Å; S487-N491 PolarHBondContact O-N 3.23Å
488	T	95.4	Very high	94.8	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.092	13%	0.131	C	C	.	.	H	α-helix	trans	-71.2	-45.4	178.4	-56.8	0	0	0	0	110.3	L393 N486 A490 N491 Y492 P597 Q598	L393-T488 HydrophobicContact CD1-CG2 3.98Å; L393-T488 HydrophobicContact CD2-CG2 4.18Å; N486-T488 VanDerWaalsContact C-N 3.28Å; N486-T488 PolarHBondContact O-N 3.12Å; N486-T488 WeakPolarHBondContact OD1-CA 3.45Å; N486-T488 WeakPolarHBondContact OD1-CB 3.36Å; N486-T488 PolarHBondContact OD1-N 2.96Å; T488-A490 VanDerWaalsContact C-N 3.34Å; T488-A490 PolarHBondContact O-N 2.65Å; T488-N491 PolarHBondContact O-N 2.9Å; T488-Y492 HydrophobicContact CG2-CD2 3.9Å; T488-Y492 HydrophobicContact CG2-CE2 3.57Å; T488-Y492 WeakPolarHBondContact O-CD2 3.47Å; T488-Y492 PolarHBondContact O-N 2.95Å; T488-P597 HydrophobicContact CG2-CG 4.3Å; T488-Q598 PolarHBondContact OG1-NE2 3.17Å; T488-Q598 VanDerWaalsContact OG1-NE2 3.08Å
489	L	95.4	Very high	94.9	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-42.9	174	-78.8	170.2	0	0	0	111.3	D389 L392 L393 L396 N486 N491 Y492 L493	D389-L489 HydrophobicContact CB-CD1 4.06Å; L392-L489 HydrophobicContact CB-CD2 4.49Å; L392-L489 HydrophobicContact CD2-CD1 3.96Å; L392-L489 HydrophobicContact CD2-CD2 4.11Å; L392-L489 HydrophobicContact CG-CD2 4.17Å; L393-L489 HydrophobicContact CD2-CD2 3.54Å; L393-L489 HydrophobicContact CD2-CG 4.09Å; L393-L489 HydrophobicContact CG-CD2 3.63Å; L393-L489 HydrophobicContact CG-CG 4.17Å; L396-L489 HydrophobicContact CD2-CD2 4.13Å; N486-L489 HydrophobicContact CB-CB 4.1Å; N486-L489 HydrophobicContact CB-CD1 3.91Å; N486-L489 HydrophobicContact CB-CG 4.26Å; N486-L489 PolarHBondContact O-N 3.18Å; N486-L489 PolarHBondContact OD1-N 2.97Å; L489-N491 PolarHBondContact O-N 3.13Å; L489-Y492 PolarHBondContact O-N 2.98Å; L489-L493 WeakPolarHBondContact O-CB 3.09Å; L489-L493 PolarHBondContact O-N 3.44Å
490	A	95.5	Very high	94.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.2	0	0	0	0	0	113.4	A483 N486 T488 Y494 F524 M538	A483-A490 HydrophobicContact CB-CB 4.23Å; A483-A490 WeakPolarHBondContact O-CB 3.35Å; N486-A490 PolarHBondContact O-N 2.82Å; T488-A490 VanDerWaalsContact C-N 3.34Å; T488-A490 PolarHBondContact O-N 2.65Å; A490-Y494 VanDerWaalsContact O-CB 3.3Å; A490-Y494 WeakPolarHBondContact O-CB 3.28Å; A490-Y494 PolarHBondContact O-N 3.08Å; A490-F524 HydrophobicContact CB-CZ 4.03Å; A490-M538 HydrophobicContact CB-CG 4.31Å; A490-M538 HydrophobicContact CB-SD 3.23Å; A490-M538 WeakPolarHBondContact CB-SD 3.42Å
491	N	96.6	Very high	94.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-53.2	176.6	176.9	98.3	0	0	0	111.3	S487 T488 L489 Y494 W495 L542 Q545 P594 P597	S487-N491 WeakPolarHBondContact O-CB 3.43Å; S487-N491 PolarHBondContact O-N 3.23Å; T488-N491 PolarHBondContact O-N 2.9Å; L489-N491 PolarHBondContact O-N 3.13Å; N491-Y494 WeakPolarHBondContact O-CB 3.39Å; N491-Y494 PolarHBondContact O-N 3.14Å; N491-W495 PolarHBondContact O-N 2.66Å; N491-W495 VanDerWaalsContact O-N 3.13Å; N491-L542 HydrophobicContact CB-CD2 4.43Å; N491-Q545 PolarHBondContact OD1-NE2 3.13Å; N491-Q545 PolarHBondContact OD1-OE1 2.95Å; N491-Q545 VanDerWaalsContact OD1-OE1 3.1Å; N491-P594 PolarHBondContact ND2-O 3.47Å; N491-P597 HydrophobicContact CB-CB 4.22Å; N491-P597 HydrophobicContact CB-CG 3.57Å; N491-P597 VanDerWaalsContact ND2-CG 3.3Å; N491-P597 WeakPolarHBondContact ND2-CG 3.44Å
492	Y	97.1	Very high	94.4	Very high	32 Å²	32	27.1 Å²	27.1	13%	0.125	14%	0.135	C	C	.	.	H	α-helix	trans	-68.5	-38.3	-178.4	-67.6	-61.8	0	0	0	112.3	L393 T488 L489 Y494 W495 Y496 L595 P597 L673	L393-Y492 HydrophobicContact CD2-CD2 3.52Å; L393-Y492 HydrophobicContact CD2-CE2 4.12Å; L393-Y492 HydrophobicContact CD2-CG 4.45Å; T488-Y492 HydrophobicContact CG2-CD2 3.9Å; T488-Y492 HydrophobicContact CG2-CE2 3.57Å; T488-Y492 WeakPolarHBondContact O-CD2 3.47Å; T488-Y492 PolarHBondContact O-N 2.95Å; L489-Y492 PolarHBondContact O-N 2.98Å; Y492-Y494 VanDerWaalsContact C-N 3.32Å; Y492-Y494 PolarHBondContact O-N 3.18Å; Y492-W495 PolarHBondContact O-N 3.03Å; Y492-Y496 HydrophobicContact CD1-CE1 4.34Å; Y492-Y496 WeakPolarHBondContact O-CB 3.27Å; Y492-Y496 WeakPolarHBondContact O-CD1 3.18Å; Y492-Y496 WeakPolarHBondContact O-CD2 3.27Å; Y492-Y496 PolarHBondContact O-N 3.44Å; Y492-L595 PolarHBondContact OH-O 3.39Å; Y492-P597 HydrophobicContact CE2-CG 4.29Å; Y492-P597 WeakPolarHBondContact OH-CD 3.36Å; Y492-L673 HydrophobicContact CD1-CD1 4.19Å; Y492-L673 HydrophobicContact CE1-CD1 4.49Å
493	L	97.3	Very high	94	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-43.7	174.6	-179.2	64.4	0	0	0	111.3	L396 V400 L479 A483 L489 Y496 V497 F524	L396-L493 HydrophobicContact CD1-CD1 4.36Å; L396-L493 HydrophobicContact CD2-CB 4.47Å; V400-L493 HydrophobicContact CG2-CD1 3.67Å; L479-L493 HydrophobicContact CB-CD2 4.5Å; A483-L493 HydrophobicContact CB-CD2 3.56Å; L489-L493 WeakPolarHBondContact O-CB 3.09Å; L489-L493 PolarHBondContact O-N 3.44Å; L493-Y496 PolarHBondContact O-N 3.23Å; L493-V497 HydrophobicContact CD1-CG2 3.9Å; L493-V497 HydrophobicContact CG-CG2 4.42Å; L493-V497 WeakPolarHBondContact O-CB 3.33Å; L493-V497 VanDerWaalsContact O-CG2 3.26Å; L493-V497 WeakPolarHBondContact O-CG2 3.38Å; L493-V497 PolarHBondContact O-N 3.21Å; L493-F524 HydrophobicContact CD2-CD2 4.17Å; L493-F524 HydrophobicContact CD2-CE2 4.04Å; L493-F524 HydrophobicContact CD2-CZ 4.29Å
494	Y	97.1	Very high	93.3	Very high	33 Å²	33	30.4 Å²	30.4	13%	0.129	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-53.8	176.3	-179.6	-99.2	0	0	0	111.4	A490 N491 Y492 Y496 V497 I498 M521 F524 L542	A490-Y494 VanDerWaalsContact O-CB 3.3Å; A490-Y494 WeakPolarHBondContact O-CB 3.28Å; A490-Y494 PolarHBondContact O-N 3.08Å; N491-Y494 WeakPolarHBondContact O-CB 3.39Å; N491-Y494 PolarHBondContact O-N 3.14Å; Y492-Y494 VanDerWaalsContact C-N 3.32Å; Y492-Y494 PolarHBondContact O-N 3.18Å; Y494-Y496 PolarHBondContact O-N 2.72Å; Y494-V497 PolarHBondContact O-N 2.9Å; Y494-I498 HydrophobicContact CE1-CD1 4.1Å; Y494-I498 HydrophobicContact CE2-CD1 4.45Å; Y494-I498 WeakPolarHBondContact O-CB 3.26Å; Y494-I498 WeakPolarHBondContact O-CG2 3.26Å; Y494-I498 PolarHBondContact O-N 2.81Å; Y494-I498 WeakPolarHBondContact OH-CD1 3.24Å; Y494-M521 HydrophobicContact CD2-CE 3.99Å; Y494-M521 HydrophobicContact CD2-SD 4.02Å; Y494-M521 HydrophobicContact CE2-CE 4.15Å; Y494-M521 HydrophobicContact CE2-SD 4.06Å; Y494-F524 HydrophobicContact CD2-CE1 4.3Å; Y494-L542 HydrophobicContact CD1-CD2 4.37Å; Y494-L542 HydrophobicContact CD2-CB 4.5Å; Y494-L542 HydrophobicContact CD2-CD1 4.27Å; Y494-L542 HydrophobicContact CG-CD1 4.29Å; Y494-L542 HydrophobicContact CG-CD2 4.21Å
495	W	97.1	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68	-33.6	-177	-72.1	112.8	0	0	0	113.1	N491 Y492 I498 V499 Q545 Q546 V549 P594 L673 T675	N491-W495 PolarHBondContact O-N 2.66Å; N491-W495 VanDerWaalsContact O-N 3.13Å; Y492-W495 PolarHBondContact O-N 3.03Å; W495-I498 HydrophobicContact CE3-CG2 3.76Å; W495-I498 HydrophobicContact CZ3-CG2 4.27Å; W495-I498 WeakPolarHBondContact O-CG2 3.44Å; W495-V499 WeakPolarHBondContact O-CG2 3.35Å; W495-V499 PolarHBondContact O-N 2.96Å; W495-Q545 HydrophobicContact CZ2-CB 4.08Å; W495-Q546 VanDerWaalsContact CH2-OE1 3.31Å; W495-Q546 VanDerWaalsContact CZ3-OE1 3.29Å; W495-V549 HydrophobicContact CH2-CB 3.99Å; W495-V549 HydrophobicContact CH2-CG1 4.35Å; W495-V549 HydrophobicContact CH2-CG2 3.62Å; W495-V549 HydrophobicContact CZ2-CG2 3.98Å; W495-P594 HydrophobicContact CZ2-CB 4.06Å; W495-P594 HydrophobicContact CZ2-CG 3.95Å; W495-L673 HydrophobicContact CB-CD1 3.93Å; W495-L673 HydrophobicContact CB-CD2 4.26Å; W495-L673 HydrophobicContact CB-CG 4.44Å; W495-L673 HydrophobicContact CG-CD2 3.97Å; W495-T675 HydrophobicContact CD2-CG2 3.98Å; W495-T675 HydrophobicContact CE3-CG2 3.6Å; W495-T675 HydrophobicContact CH2-CG2 4.14Å; W495-T675 HydrophobicContact CZ2-CG2 4.48Å; W495-T675 HydrophobicContact CZ3-CG2 3.7Å
496	Y	96.4	Very high	91.7	Very high	23 Å²	23	25.8 Å²	25.8	9%	0.09	13%	0.133	C	C	.	.	H	α-helix	trans	-71	-41.5	176.8	-63	-9.7	0	0	0	111.8	L396 L397 V400 Y492 L493 Y494 L673	L396-Y496 HydrophobicContact CB-CD2 4.49Å; L396-Y496 HydrophobicContact CB-CE2 4.09Å; L396-Y496 HydrophobicContact CD2-CD2 4.18Å; L396-Y496 HydrophobicContact CD2-CE2 4.01Å; L396-Y496 HydrophobicContact CG-CD2 3.95Å; L396-Y496 HydrophobicContact CG-CE2 3.95Å; L397-Y496 HydrophobicContact CB-CD2 4.18Å; L397-Y496 HydrophobicContact CB-CE2 3.9Å; L397-Y496 HydrophobicContact CD1-CD1 4.25Å; L397-Y496 HydrophobicContact CD1-CD2 4.07Å; L397-Y496 HydrophobicContact CD1-CE2 4.37Å; L397-Y496 HydrophobicContact CD1-CG 4.01Å; V400-Y496 HydrophobicContact CG2-CD2 4.44Å; Y492-Y496 HydrophobicContact CD1-CE1 4.34Å; Y492-Y496 WeakPolarHBondContact O-CB 3.27Å; Y492-Y496 WeakPolarHBondContact O-CD1 3.18Å; Y492-Y496 WeakPolarHBondContact O-CD2 3.27Å; Y492-Y496 PolarHBondContact O-N 3.44Å; L493-Y496 PolarHBondContact O-N 3.23Å; Y494-Y496 PolarHBondContact O-N 2.72Å; Y496-L673 HydrophobicContact CD1-CD1 4.29Å; Y496-L673 HydrophobicContact CE1-CD1 3.76Å
497	V	95.9	Very high	90.9	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-72.9	-36.7	179.6	178.9	0	0	0	0	111.5	V400 L493 Y494 V499 E500 C501 Y517 V520 M521	V400-V497 HydrophobicContact CG1-CG2 3.98Å; V400-V497 HydrophobicContact CG2-CG2 4.35Å; L493-V497 HydrophobicContact CD1-CG2 3.9Å; L493-V497 HydrophobicContact CG-CG2 4.42Å; L493-V497 WeakPolarHBondContact O-CB 3.33Å; L493-V497 VanDerWaalsContact O-CG2 3.26Å; L493-V497 WeakPolarHBondContact O-CG2 3.38Å; L493-V497 PolarHBondContact O-N 3.21Å; Y494-V497 PolarHBondContact O-N 2.9Å; V497-V499 PolarHBondContact O-N 3.14Å; V497-E500 PolarHBondContact O-N 2.94Å; V497-C501 PolarHBondContact O-N 3.38Å; V497-C501 PolarHBondContact O-SG 3.45Å; V497-Y517 HydrophobicContact CG1-CD1 4.32Å; V497-V520 HydrophobicContact CG1-CG1 4.26Å; V497-V520 HydrophobicContact CG2-CG1 4.32Å; V497-M521 HydrophobicContact CB-CE 3.84Å; V497-M521 HydrophobicContact CG1-CB 4.04Å; V497-M521 HydrophobicContact CG1-CE 3.8Å
498	I	94.6	Very high	90	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.108	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-36.1	-178.7	-158.8	158.1	0	0	0	112.4	Y494 W495 E500 C501 E502 M521	Y494-I498 HydrophobicContact CE1-CD1 4.1Å; Y494-I498 HydrophobicContact CE2-CD1 4.45Å; Y494-I498 WeakPolarHBondContact O-CB 3.26Å; Y494-I498 WeakPolarHBondContact O-CG2 3.26Å; Y494-I498 PolarHBondContact O-N 2.81Å; Y494-I498 WeakPolarHBondContact OH-CD1 3.24Å; W495-I498 HydrophobicContact CE3-CG2 3.76Å; W495-I498 HydrophobicContact CZ3-CG2 4.27Å; W495-I498 WeakPolarHBondContact O-CG2 3.44Å; I498-E500 VanDerWaalsContact C-N 3.31Å; I498-E500 PolarHBondContact O-N 3.28Å; I498-C501 CarbonylContact O-C 3.59Å; I498-C501 WeakPolarHBondContact O-CB 3.47Å; I498-C501 PolarHBondContact O-N 2.9Å; I498-C501 VanDerWaalsContact O-N 3.09Å; I498-E502 WeakPolarHBondContact O-CG 3.49Å; I498-E502 PolarHBondContact O-N 2.89Å; I498-M521 HydrophobicContact CB-CE 3.88Å; I498-M521 HydrophobicContact CG1-CE 4.49Å
499	V	93.9	Very high	89.3	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-43.4	175.1	171.2	0	0	0	0	110.8	W495 V497 C501 E502 D503 R642 A674 T677	W495-V499 WeakPolarHBondContact O-CG2 3.35Å; W495-V499 PolarHBondContact O-N 2.96Å; V497-V499 PolarHBondContact O-N 3.14Å; V499-C501 VanDerWaalsContact C-N 3.33Å; V499-E502 PolarHBondContact O-N 3.36Å; V499-D503 PolarHBondContact O-N 3.41Å; V499-R642 HydrophobicContact CG1-CG 4.16Å; V499-A674 HydrophobicContact CG2-CB 4.45Å; V499-T677 HydrophobicContact CG1-CG2 4.35Å
500	E	92.9	Very high	88.8	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.023	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-29.9	176	-59.5	-65.8	141.2	0	0	112.5	Q401 K404 V497 I498 E502 Y517	Q401-E500 PolarHBondContact NE2-OE1 3.25Å; K404-E500 IonicContact NZ-OE2 2.78Å; K404-E500 PolarHBondContact NZ-OE2 2.98Å; V497-E500 PolarHBondContact O-N 2.94Å; I498-E500 VanDerWaalsContact C-N 3.31Å; I498-E500 PolarHBondContact O-N 3.28Å; E500-E502 VanDerWaalsContact C-N 3.29Å; E500-Y517 HydrophobicContact CB-CD1 4.11Å; E500-Y517 HydrophobicContact CB-CD2 3.74Å; E500-Y517 HydrophobicContact CB-CE1 4.25Å; E500-Y517 HydrophobicContact CB-CE2 3.87Å; E500-Y517 HydrophobicContact CB-CG 3.86Å; E500-Y517 HydrophobicContact CG-CD2 4.5Å; E500-Y517 HydrophobicContact CG-CE1 4.26Å; E500-Y517 HydrophobicContact CG-CE2 4.14Å
501	C	90.6	Very high	88.5	Confident	19 Å²	19	48.2 Å²	48.2	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-70.6	-24.7	173.1	-64.9	0	0	0	0	112.8	V497 I498 V499 H514 L518	V497-C501 PolarHBondContact O-N 3.38Å; V497-C501 PolarHBondContact O-SG 3.45Å; I498-C501 CarbonylContact O-C 3.59Å; I498-C501 WeakPolarHBondContact O-CB 3.47Å; I498-C501 PolarHBondContact O-N 2.9Å; I498-C501 VanDerWaalsContact O-N 3.09Å; V499-C501 VanDerWaalsContact C-N 3.33Å; C501-H514 PolarHBondContact O-CE1 3.14Å; C501-L518 HydrophobicContact CB-CD2 3.95Å
502	E	88.1	Confident	88.1	Confident	70 Å²	70	55.1 Å²	55.1	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-96.2	-5.3	179.1	-69.4	-174.8	176.2	0	0	113.5	I498 V499 E500 Q504 S676	I498-E502 WeakPolarHBondContact O-CG 3.49Å; I498-E502 PolarHBondContact O-N 2.89Å; V499-E502 PolarHBondContact O-N 3.36Å; E500-E502 VanDerWaalsContact C-N 3.29Å; E502-Q504 PolarHBondContact O-N 3.26Å; E502-S676 VanDerWaalsContact OE2-CB 3.27Å; E502-S676 WeakPolarHBondContact OE2-CB 3.27Å; E502-S676 PolarHBondContact OE2-OG 2.94Å
503	D	84.5	Confident	87.7	Confident	4 Å²	4	54 Å²	54	2%	0.021	26%	0.256	C	S	.	.			trans	-69.6	102.2	-179.7	-165.2	-22.4	0	0	0	111.1	V499 D505 T506 Q507 R642 T677 N827	V499-D503 PolarHBondContact O-N 3.41Å; D503-D505 VanDerWaalsContact C-N 3.28Å; D503-D505 PolarHBondContact O-N 3.46Å; D503-D505 WeakPolarHBondContact OD1-CB 3.24Å; D503-D505 PolarHBondContact OD1-N 3.17Å; D503-T506 PolarHBondContact O-N 3.06Å; D503-T506 PolarHBondContact OD1-N 3.48Å; D503-T506 PolarHBondContact OD2-OG1 3.12Å; D503-Q507 PolarHBondContact O-N 3.42Å; D503-Q507 VanDerWaalsContact O-N 3.09Å; D503-R642 IonicContact OD2-CZ 3.86Å; D503-R642 IonicContact OD2-NH1 3.56Å; D503-R642 PolarHBondContact OD2-NH1 3.26Å; D503-R642 IonicContact OD2-NH2 2.91Å; D503-T677 HydrophobicContact CB-CG2 4.14Å; D503-N827 PolarHBondContact OD2-ND2 3.26Å
504	Q	78.8	Confident	87.4	Confident	111 Å²	111	54.7 Å²	54.7	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-66.2	-29.7	179.7	-65.5	-174.5	-14.1	0	0	112.5	E502 Q507 Q508	E502-Q504 PolarHBondContact O-N 3.26Å; Q504-Q507 WeakPolarHBondContact O-CB 3.15Å; Q504-Q507 PolarHBondContact O-N 3.2Å; Q504-Q508 WeakPolarHBondContact O-CG 3.24Å; Q504-Q508 PolarHBondContact O-N 3.04Å; Q504-Q508 VanDerWaalsContact O-N 3.16Å
505	D	76.1	Confident	87.1	Confident	78 Å²	78	57.7 Å²	57.7	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-71.3	-42.3	179.6	-72.2	-18.4	0	0	0	109.9	D503 Q507 Q508 R509 N827	D503-D505 VanDerWaalsContact C-N 3.28Å; D503-D505 PolarHBondContact O-N 3.46Å; D503-D505 WeakPolarHBondContact OD1-CB 3.24Å; D503-D505 PolarHBondContact OD1-N 3.17Å; D505-Q507 VanDerWaalsContact C-N 3.33Å; D505-Q508 PolarHBondContact O-N 3.17Å; D505-R509 WeakPolarHBondContact O-CB 3.17Å; D505-R509 WeakPolarHBondContact O-CG 3.41Å; D505-R509 PolarHBondContact O-N 2.96Å; D505-N827 WeakPolarHBondContact CB-ND2 3.39Å
506	T	75.7	Confident	86.9	Confident	12 Å²	12	57.8 Å²	57.8	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-42.2	173	-52.6	0	0	0	0	111	D503 Q508 R509 D510 T513 H514	D503-T506 PolarHBondContact O-N 3.06Å; D503-T506 PolarHBondContact OD1-N 3.48Å; D503-T506 PolarHBondContact OD2-OG1 3.12Å; T506-Q508 PolarHBondContact O-N 3.07Å; T506-R509 PolarHBondContact O-N 3.27Å; T506-D510 CarbonylContact O-C 3.34Å; T506-D510 WeakPolarHBondContact O-CA 3.21Å; T506-D510 PolarHBondContact O-N 3.45Å; T506-D510 VanDerWaalsContact O-O 3.11Å; T506-T513 HydrophobicContact CG2-CG2 4.29Å; T506-H514 HydrophobicContact CG2-CB 4.35Å
507	Q	77.1	Confident	86.9	Confident	105 Å²	105	56.7 Å²	56.7	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-56.8	-35.9	176.5	-170.5	-178	12.5	0	0	112.6	D503 Q504 D505	D503-Q507 PolarHBondContact O-N 3.42Å; D503-Q507 VanDerWaalsContact O-N 3.09Å; Q504-Q507 WeakPolarHBondContact O-CB 3.15Å; Q504-Q507 PolarHBondContact O-N 3.2Å; D505-Q507 VanDerWaalsContact C-N 3.33Å
508	Q	74.9	Confident	86.7	Confident	156 Å²	156	59.7 Å²	59.7	73%	0.729	29%	0.286	S	S	*	.	H	α-helix	trans	-83.9	-41.4	179.4	-68.8	177	24.9	0	0	113.2	Q504 D505 T506	Q504-Q508 WeakPolarHBondContact O-CG 3.24Å; Q504-Q508 PolarHBondContact O-N 3.04Å; Q504-Q508 VanDerWaalsContact O-N 3.16Å; D505-Q508 PolarHBondContact O-N 3.17Å; T506-Q508 PolarHBondContact O-N 3.07Å
509	R	80.7	Confident	86.7	Confident	184 Å²	184	59.1 Å²	59.1	69%	0.694	28%	0.283	S	S	*	.	H	α-helix	trans	-81.8	-41.3	-175	-69	-179.6	-179.7	179.8	2.6	113.2	D505 T506	D505-R509 WeakPolarHBondContact O-CB 3.17Å; D505-R509 WeakPolarHBondContact O-CG 3.41Å; D505-R509 PolarHBondContact O-N 2.96Å; T506-R509 PolarHBondContact O-N 3.27Å
510	D	85	Confident	86.7	Confident	65 Å²	65	59.1 Å²	59.1	35%	0.348	28%	0.283	S	S	.	.			trans	-140.1	81.6	-177.7	-172.8	-1.3	0	0	0	111.5	T506 K512 T513 H514	T506-D510 CarbonylContact O-C 3.34Å; T506-D510 WeakPolarHBondContact O-CA 3.21Å; T506-D510 PolarHBondContact O-N 3.45Å; T506-D510 VanDerWaalsContact O-O 3.11Å; D510-K512 PolarHBondContact O-N 2.71Å; D510-K512 PolarHBondContact OD1-N 3.41Å; D510-T513 VanDerWaalsContact CG-OG1 3.3Å; D510-T513 PolarHBondContact O-N 2.88Å; D510-T513 PolarHBondContact OD1-N 2.98Å; D510-T513 WeakPolarHBondContact OD2-CB 3.34Å; D510-T513 PolarHBondContact OD2-OG1 3.27Å; D510-H514 PolarHBondContact O-N 3.34Å
511	P	88.3	Confident	86.8	Confident	80 Å²	80	60.4 Å²	60.4	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-24.2	-178.7	25.6	-34.6	0	0	0	113	E515	P511-E515 WeakPolarHBondContact O-CB 3.28Å; P511-E515 PolarHBondContact O-N 3.04Å
512	K	89.3	Confident	86.9	Confident	148 Å²	148	65.1 Å²	65.1	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-70.2	-46.3	179.2	-67.3	-177.2	177.9	-179.2	0	110.9	F408 D510 H514 E515 M516	F408-K512 HydrophobicContact CD2-CB 4.38Å; F408-K512 HydrophobicContact CE2-CB 4.08Å; D510-K512 PolarHBondContact O-N 2.71Å; D510-K512 PolarHBondContact OD1-N 3.41Å; K512-H514 VanDerWaalsContact C-N 3.33Å; K512-E515 PolarHBondContact O-N 3.48Å; K512-M516 PolarHBondContact O-N 2.93Å
513	T	88.6	Confident	87.1	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-38.9	176.2	-68.6	0	0	0	0	111.7	K404 T506 D510 M516 Y517	K404-T513 HydrophobicContact CD-CG2 4.16Å; K404-T513 HydrophobicContact CG-CG2 3.78Å; T506-T513 HydrophobicContact CG2-CG2 4.29Å; D510-T513 VanDerWaalsContact CG-OG1 3.3Å; D510-T513 PolarHBondContact O-N 2.88Å; D510-T513 PolarHBondContact OD1-N 2.98Å; D510-T513 WeakPolarHBondContact OD2-CB 3.34Å; D510-T513 PolarHBondContact OD2-OG1 3.27Å; T513-M516 HydrophobicContact CG2-CE 4.22Å; T513-M516 WeakPolarHBondContact O-CB 3.14Å; T513-M516 PolarHBondContact O-N 3.41Å; T513-Y517 HydrophobicContact CG2-CD2 4.11Å; T513-Y517 HydrophobicContact CG2-CE2 3.85Å; T513-Y517 WeakPolarHBondContact O-CD2 3.15Å; T513-Y517 PolarHBondContact O-N 3.32Å; T513-Y517 VanDerWaalsContact O-N 3.11Å
514	H	89.9	Confident	87.6	Confident	20 Å²	20	62.9 Å²	62.9	9%	0.093	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-46.2	173.2	-178.7	82.8	0	0	0	112.1	C501 T506 D510 K512 M516 Y517 L518	C501-H514 PolarHBondContact O-CE1 3.14Å; T506-H514 HydrophobicContact CG2-CB 4.35Å; D510-H514 PolarHBondContact O-N 3.34Å; K512-H514 VanDerWaalsContact C-N 3.33Å; H514-M516 VanDerWaalsContact C-N 3.28Å; H514-M516 PolarHBondContact O-N 3.3Å; H514-Y517 PolarHBondContact O-N 3.18Å; H514-L518 WeakPolarHBondContact O-CG 3.46Å; H514-L518 PolarHBondContact O-N 3.07Å
515	E	91.4	Very high	88.2	Confident	95 Å²	95	59.6 Å²	59.6	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-36.8	175.2	-169.3	-176.8	169.2	0	0	112.1	P511 K512 L518 N519	P511-E515 WeakPolarHBondContact O-CB 3.28Å; P511-E515 PolarHBondContact O-N 3.04Å; K512-E515 PolarHBondContact O-N 3.48Å; E515-L518 PolarHBondContact O-N 2.96Å; E515-N519 PolarHBondContact O-N 2.68Å; E515-N519 PolarHBondContact O-ND2 3.1Å
516	M	93.1	Very high	88.9	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-50.4	174.4	177.7	-77.4	-64.9	0	0	111.5	L403 K404 F408 I411 K512 T513 H514 L518 N519 V520	L403-M516 HydrophobicContact CB-CE 4.16Å; L403-M516 HydrophobicContact CB-SD 4.13Å; K404-M516 HydrophobicContact CG-CE 4.24Å; F408-M516 HydrophobicContact CD1-CB 4.11Å; F408-M516 HydrophobicContact CD1-CG 3.67Å; F408-M516 HydrophobicContact CD2-CB 4.25Å; F408-M516 HydrophobicContact CE1-CB 4.21Å; F408-M516 HydrophobicContact CE1-CE 4.42Å; F408-M516 HydrophobicContact CE1-CG 3.86Å; F408-M516 HydrophobicContact CE2-CB 4.34Å; F408-M516 HydrophobicContact CG-CB 4.15Å; F408-M516 HydrophobicContact CG-CG 4.13Å; F408-M516 HydrophobicContact CZ-CB 4.33Å; F408-M516 HydrophobicContact CZ-CG 4.44Å; I411-M516 HydrophobicContact CD1-CG 3.68Å; I411-M516 HydrophobicContact CD1-SD 3.9Å; K512-M516 PolarHBondContact O-N 2.93Å; T513-M516 HydrophobicContact CG2-CE 4.22Å; T513-M516 WeakPolarHBondContact O-CB 3.14Å; T513-M516 PolarHBondContact O-N 3.41Å; H514-M516 VanDerWaalsContact C-N 3.28Å; H514-M516 PolarHBondContact O-N 3.3Å; M516-L518 VanDerWaalsContact C-N 3.3Å; M516-L518 PolarHBondContact O-N 3.11Å; M516-N519 CarbonylContact O-C 3.23Å; M516-N519 WeakPolarHBondContact O-CA 3.36Å; M516-N519 WeakPolarHBondContact O-CB 3.08Å; M516-N519 PolarHBondContact O-N 2.68Å; M516-V520 WeakPolarHBondContact O-CG2 3.31Å; M516-V520 PolarHBondContact O-N 3.47Å; M516-V520 HydrophobicContact SD-CG2 3.61Å
517	Y	94.8	Very high	89.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-36.9	178.1	-78.2	-62.5	0	0	0	113	V400 K404 V497 E500 T513 H514 N519 V520 M521	V400-Y517 HydrophobicContact CG1-CE1 3.99Å; V400-Y517 WeakPolarHBondContact O-CE1 2.99Å; V400-Y517 PolarHBondContact O-OH 3.21Å; K404-Y517 HydrophobicContact CD-CE2 4.42Å; K404-Y517 VanDerWaalsContact CE-CE2 3.46Å; K404-Y517 VanDerWaalsContact CE-OH 3.24Å; K404-Y517 WeakPolarHBondContact CE-OH 3.23Å; K404-Y517 HydrophobicContact CG-CE2 4.05Å; K404-Y517 WeakPolarHBondContact CG-OH 3.35Å; V497-Y517 HydrophobicContact CG1-CD1 4.32Å; E500-Y517 HydrophobicContact CB-CD1 4.11Å; E500-Y517 HydrophobicContact CB-CD2 3.74Å; E500-Y517 HydrophobicContact CB-CE1 4.25Å; E500-Y517 HydrophobicContact CB-CE2 3.87Å; E500-Y517 HydrophobicContact CB-CG 3.86Å; E500-Y517 HydrophobicContact CG-CD2 4.5Å; E500-Y517 HydrophobicContact CG-CE1 4.26Å; E500-Y517 HydrophobicContact CG-CE2 4.14Å; T513-Y517 HydrophobicContact CG2-CD2 4.11Å; T513-Y517 HydrophobicContact CG2-CE2 3.85Å; T513-Y517 WeakPolarHBondContact O-CD2 3.15Å; T513-Y517 PolarHBondContact O-N 3.32Å; T513-Y517 VanDerWaalsContact O-N 3.11Å; H514-Y517 PolarHBondContact O-N 3.18Å; Y517-N519 VanDerWaalsContact C-N 3.3Å; Y517-N519 PolarHBondContact O-N 2.98Å; Y517-V520 PolarHBondContact O-N 2.81Å; Y517-M521 PolarHBondContact O-N 3.04Å
518	L	93.4	Very high	90.2	Very high	65 Å²	65	55.5 Å²	55.5	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-35.6	172.1	-66.7	175.4	0	0	0	112.3	C501 H514 E515 M516 R522	C501-L518 HydrophobicContact CB-CD2 3.95Å; H514-L518 WeakPolarHBondContact O-CG 3.46Å; H514-L518 PolarHBondContact O-N 3.07Å; E515-L518 PolarHBondContact O-N 2.96Å; M516-L518 VanDerWaalsContact C-N 3.3Å; M516-L518 PolarHBondContact O-N 3.11Å; L518-R522 WeakPolarHBondContact O-CB 3.31Å; L518-R522 WeakPolarHBondContact O-CG 3.44Å; L518-R522 PolarHBondContact O-N 2.96Å; L518-R522 PolarHBondContact O-NE 3.27Å
519	N	93	Very high	90.9	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-42.7	172.4	-75.2	-51.4	0	0	0	111.5	I411 E515 M516 Y517 R522 R523	I411-N519 HydrophobicContact CG2-CB 4.28Å; E515-N519 PolarHBondContact O-N 2.68Å; E515-N519 PolarHBondContact O-ND2 3.1Å; M516-N519 CarbonylContact O-C 3.23Å; M516-N519 WeakPolarHBondContact O-CA 3.36Å; M516-N519 WeakPolarHBondContact O-CB 3.08Å; M516-N519 PolarHBondContact O-N 2.68Å; Y517-N519 VanDerWaalsContact C-N 3.3Å; Y517-N519 PolarHBondContact O-N 2.98Å; N519-R522 PolarHBondContact O-N 3.37Å; N519-R522 PolarHBondContact OD1-NH1 2.95Å; N519-R522 PolarHBondContact OD1-NH2 3.4Å; N519-R523 PolarHBondContact O-N 3.05Å
520	V	94.9	Very high	91.3	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-48.8	175.9	175.3	0	0	0	0	110.7	L403 I411 V497 M516 Y517 R522 R523 F524	L403-V520 HydrophobicContact CD1-CG1 4.16Å; L403-V520 HydrophobicContact CD1-CG2 4.23Å; I411-V520 HydrophobicContact CG2-CG2 3.82Å; V497-V520 HydrophobicContact CG1-CG1 4.26Å; V497-V520 HydrophobicContact CG2-CG1 4.32Å; M516-V520 WeakPolarHBondContact O-CG2 3.31Å; M516-V520 PolarHBondContact O-N 3.47Å; M516-V520 HydrophobicContact SD-CG2 3.61Å; Y517-V520 PolarHBondContact O-N 2.81Å; V520-R522 VanDerWaalsContact C-N 3.32Å; V520-R522 PolarHBondContact O-N 3.45Å; V520-R523 PolarHBondContact O-N 3.15Å; V520-F524 WeakPolarHBondContact O-CB 3.31Å; V520-F524 PolarHBondContact O-N 3.06Å
521	M	94.7	Very high	91.4	Very high	33 Å²	33	48.4 Å²	48.4	16%	0.163	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-39.2	177.8	-176.2	57.2	78.5	0	0	112	Y494 V497 I498 Y517 F524 S525	Y494-M521 HydrophobicContact CD2-CE 3.99Å; Y494-M521 HydrophobicContact CD2-SD 4.02Å; Y494-M521 HydrophobicContact CE2-CE 4.15Å; Y494-M521 HydrophobicContact CE2-SD 4.06Å; V497-M521 HydrophobicContact CB-CE 3.84Å; V497-M521 HydrophobicContact CG1-CB 4.04Å; V497-M521 HydrophobicContact CG1-CE 3.8Å; I498-M521 HydrophobicContact CB-CE 3.88Å; I498-M521 HydrophobicContact CG1-CE 4.49Å; Y517-M521 PolarHBondContact O-N 3.04Å; M521-F524 PolarHBondContact O-N 3.13Å; M521-F524 HydrophobicContact SD-CD1 4.32Å; M521-S525 WeakPolarHBondContact O-CB 3.44Å; M521-S525 PolarHBondContact O-N 3Å
522	R	92.7	Very high	91.4	Very high	117 Å²	117	48.8 Å²	48.8	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-47.2	173.4	-82.1	-177.6	-78.5	164.7	-13.5	112	L518 N519 V520 F524 S525 Q526	L518-R522 WeakPolarHBondContact O-CB 3.31Å; L518-R522 WeakPolarHBondContact O-CG 3.44Å; L518-R522 PolarHBondContact O-N 2.96Å; L518-R522 PolarHBondContact O-NE 3.27Å; N519-R522 PolarHBondContact O-N 3.37Å; N519-R522 PolarHBondContact OD1-NH1 2.95Å; N519-R522 PolarHBondContact OD1-NH2 3.4Å; V520-R522 VanDerWaalsContact C-N 3.32Å; V520-R522 PolarHBondContact O-N 3.45Å; R522-F524 VanDerWaalsContact C-N 3.33Å; R522-F524 PolarHBondContact O-N 3.42Å; R522-S525 PolarHBondContact O-N 3.1Å; R522-Q526 WeakPolarHBondContact O-CB 3.16Å; R522-Q526 WeakPolarHBondContact O-CG 3.38Å; R522-Q526 PolarHBondContact O-N 3.33Å
523	R	92.1	Very high	91.4	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-43.6	176.2	-77.3	-175.3	70.2	-164.6	-0.6	111.4	I411 G414 L415 D474 T477 I480 N519 V520 Q526 A527	I411-R523 WeakPolarHBondContact O-CD 3.49Å; I411-R523 PolarHBondContact O-NH1 3.37Å; G414-R523 PolarHBondContact O-NE 3.46Å; G414-R523 VanDerWaalsContact O-NE 3.11Å; L415-R523 HydrophobicContact CD2-CG 3.7Å; L415-R523 HydrophobicContact CG-CG 3.79Å; D474-R523 IonicContact OD2-NH1 3.38Å; T477-R523 PolarHBondContact OG1-NH2 2.95Å; I480-R523 HydrophobicContact CD1-CB 3.7Å; N519-R523 PolarHBondContact O-N 3.05Å; V520-R523 PolarHBondContact O-N 3.15Å; R523-Q526 PolarHBondContact O-N 3.28Å; R523-A527 WeakPolarHBondContact O-CB 3.29Å; R523-A527 PolarHBondContact O-N 3.37Å
524	F	94.6	Very high	91.4	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-49.5	177.3	-176.1	-131.9	0	0	0	111.5	I480 A483 A490 L493 Y494 V520 M521 R522 Q526 A527 L528 L542	I480-F524 HydrophobicContact CD1-CB 4.26Å; I480-F524 HydrophobicContact CG1-CB 4.18Å; I480-F524 HydrophobicContact CG1-CD2 4.15Å; I480-F524 HydrophobicContact CG2-CD2 4.21Å; A483-F524 HydrophobicContact CB-CE2 3.78Å; A483-F524 HydrophobicContact CB-CZ 4.29Å; A490-F524 HydrophobicContact CB-CZ 4.03Å; L493-F524 HydrophobicContact CD2-CD2 4.17Å; L493-F524 HydrophobicContact CD2-CE2 4.04Å; L493-F524 HydrophobicContact CD2-CZ 4.29Å; Y494-F524 HydrophobicContact CD2-CE1 4.3Å; V520-F524 WeakPolarHBondContact O-CB 3.31Å; V520-F524 PolarHBondContact O-N 3.06Å; M521-F524 PolarHBondContact O-N 3.13Å; M521-F524 HydrophobicContact SD-CD1 4.32Å; R522-F524 VanDerWaalsContact C-N 3.33Å; R522-F524 PolarHBondContact O-N 3.42Å; F524-Q526 VanDerWaalsContact C-N 3.32Å; F524-Q526 PolarHBondContact O-N 3.49Å; F524-A527 PolarHBondContact O-N 3Å; F524-L528 HydrophobicContact CD1-CD1 4.25Å; F524-L528 HydrophobicContact CD2-CD1 4.38Å; F524-L528 HydrophobicContact CD2-CG 4.22Å; F524-L528 HydrophobicContact CE1-CD1 3.87Å; F524-L528 HydrophobicContact CE2-CD1 4.01Å; F524-L528 HydrophobicContact CE2-CD2 4Å; F524-L528 HydrophobicContact CE2-CG 3.97Å; F524-L528 HydrophobicContact CG-CD1 4.5Å; F524-L528 HydrophobicContact CZ-CD1 3.74Å; F524-L528 HydrophobicContact CZ-CD2 4.29Å; F524-L528 HydrophobicContact CZ-CG 4.22Å; F524-L528 VanDerWaalsContact O-CG 3.31Å; F524-L528 WeakPolarHBondContact O-CG 3.34Å; F524-L528 PolarHBondContact O-N 3.45Å; F524-L542 HydrophobicContact CE1-CD1 4.25Å; F524-L542 HydrophobicContact CZ-CD1 4.42Å
525	S	91.7	Very high	91.4	Very high	41 Å²	41	51.7 Å²	51.7	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-37.1	177.3	-169.6	0	0	0	0	113	M521 R522 L528 L529 R539	M521-S525 WeakPolarHBondContact O-CB 3.44Å; M521-S525 PolarHBondContact O-N 3Å; R522-S525 PolarHBondContact O-N 3.1Å; S525-L528 PolarHBondContact O-N 2.9Å; S525-L529 WeakPolarHBondContact O-CB 3.5Å; S525-L529 PolarHBondContact O-N 3.19Å; S525-R539 PolarHBondContact OG-NE 2.93Å; S525-R539 PolarHBondContact OG-NH2 3.4Å
526	Q	90.8	Very high	91.4	Very high	75 Å²	75	53.1 Å²	53.1	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-69.6	-42	175.2	-74.5	-177.1	7.6	0	0	112.8	L415 R522 R523 F524 L528 L529 K530	L415-Q526 VanDerWaalsContact CD2-OE1 3.25Å; R522-Q526 WeakPolarHBondContact O-CB 3.16Å; R522-Q526 WeakPolarHBondContact O-CG 3.38Å; R522-Q526 PolarHBondContact O-N 3.33Å; R523-Q526 PolarHBondContact O-N 3.28Å; F524-Q526 VanDerWaalsContact C-N 3.32Å; F524-Q526 PolarHBondContact O-N 3.49Å; Q526-L528 VanDerWaalsContact C-N 3.27Å; Q526-L528 PolarHBondContact O-N 3.26Å; Q526-L529 WeakPolarHBondContact O-CB 3.4Å; Q526-L529 PolarHBondContact O-N 3.26Å; Q526-L529 VanDerWaalsContact O-N 3.16Å; Q526-K530 WeakPolarHBondContact O-CG 3.49Å; Q526-K530 PolarHBondContact O-N 3.11Å
527	A	90.6	Very high	91.4	Very high	30 Å²	30	56.3 Å²	56.3	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-42.1	174.2	0	0	0	0	0	110.5	I480 R523 F524 L529 K530 G531	I480-A527 HydrophobicContact CG2-CB 3.46Å; I480-A527 VanDerWaalsContact CG2-CB 3.46Å; R523-A527 WeakPolarHBondContact O-CB 3.29Å; R523-A527 PolarHBondContact O-N 3.37Å; F524-A527 PolarHBondContact O-N 3Å; A527-L529 VanDerWaalsContact C-N 3.32Å; A527-L529 PolarHBondContact O-N 3.27Å; A527-K530 PolarHBondContact O-N 2.97Å; A527-G531 PolarHBondContact O-N 3.45Å
528	L	90.7	Very high	91.2	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-31	175.6	-66.2	179.2	0	0	0	113.5	F524 S525 Q526 V535 M538 R539 L542	F524-L528 HydrophobicContact CD1-CD1 4.25Å; F524-L528 HydrophobicContact CD2-CD1 4.38Å; F524-L528 HydrophobicContact CD2-CG 4.22Å; F524-L528 HydrophobicContact CE1-CD1 3.87Å; F524-L528 HydrophobicContact CE2-CD1 4.01Å; F524-L528 HydrophobicContact CE2-CD2 4Å; F524-L528 HydrophobicContact CE2-CG 3.97Å; F524-L528 HydrophobicContact CG-CD1 4.5Å; F524-L528 HydrophobicContact CZ-CD1 3.74Å; F524-L528 HydrophobicContact CZ-CD2 4.29Å; F524-L528 HydrophobicContact CZ-CG 4.22Å; F524-L528 VanDerWaalsContact O-CG 3.31Å; F524-L528 WeakPolarHBondContact O-CG 3.34Å; F524-L528 PolarHBondContact O-N 3.45Å; S525-L528 PolarHBondContact O-N 2.9Å; Q526-L528 VanDerWaalsContact C-N 3.27Å; Q526-L528 PolarHBondContact O-N 3.26Å; L528-V535 HydrophobicContact CB-CG1 4.18Å; L528-V535 HydrophobicContact CD2-CG1 3.53Å; L528-V535 HydrophobicContact CG-CG1 4.44Å; L528-M538 HydrophobicContact CD2-SD 4.32Å; L528-R539 HydrophobicContact CB-CB 3.97Å; L528-R539 HydrophobicContact CB-CG 4.08Å; L528-R539 HydrophobicContact CD1-CB 4.26Å; L528-R539 HydrophobicContact CD1-CG 4.3Å; L528-L542 HydrophobicContact CD1-CD1 3.92Å
529	L	89.4	Confident	91.2	Very high	91 Å²	91	59 Å²	59	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-72.3	-44.6	175.9	-176.1	93.6	0	0	0	111.8	S525 Q526 A527 G531 R536	S525-L529 WeakPolarHBondContact O-CB 3.5Å; S525-L529 PolarHBondContact O-N 3.19Å; Q526-L529 WeakPolarHBondContact O-CB 3.4Å; Q526-L529 PolarHBondContact O-N 3.26Å; Q526-L529 VanDerWaalsContact O-N 3.16Å; A527-L529 VanDerWaalsContact C-N 3.32Å; A527-L529 PolarHBondContact O-N 3.27Å; L529-G531 VanDerWaalsContact C-N 3.34Å; L529-R536 WeakPolarHBondContact O-CD 3.29Å
530	K	88.1	Confident	91.2	Very high	143 Å²	143	61.9 Å²	61.9	62%	0.622	31%	0.311	S	S	*	.	H	α-helix	trans	-77.4	-19.7	-177.5	-69.3	178.6	-179.2	176	0	113.1	Q526 A527	Q526-K530 WeakPolarHBondContact O-CG 3.49Å; Q526-K530 PolarHBondContact O-N 3.11Å; A527-K530 PolarHBondContact O-N 2.97Å
531	G	86.7	Confident	91.1	Very high	22 Å²	22	64.2 Å²	64.2	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	-60.9	176.9	178	0	0	0	0	0	113.6	A527 L529 R536	A527-G531 PolarHBondContact O-N 3.45Å; L529-G531 VanDerWaalsContact C-N 3.34Å; G531-R536 PolarHBondContact O-NH1 3.26Å
532	D	88.1	Confident	91.1	Very high	88 Å²	88	63 Å²	63	47%	0.471	32%	0.318	S	S	.	.			trans	-66.8	-178.4	178.5	75.3	-35.1	0	0	0	112.5	S534 V535 R536	D532-S534 PolarHBondContact O-N 3.32Å; D532-S534 PolarHBondContact OD1-OG 3.24Å; D532-S534 WeakPolarHBondContact OD2-CB 3.33Å; D532-S534 PolarHBondContact OD2-N 3.2Å; D532-S534 PolarHBondContact OD2-OG 3.05Å; D532-V535 PolarHBondContact O-N 3.29Å; D532-V535 VanDerWaalsContact OD1-CB 3.23Å; D532-V535 WeakPolarHBondContact OD1-CB 3.1Å; D532-V535 WeakPolarHBondContact OD1-CG2 3.39Å; D532-V535 PolarHBondContact OD1-N 3.26Å; D532-V535 VanDerWaalsContact OD1-N 3.08Å; D532-R536 WeakPolarHBondContact O-CG 3.21Å; D532-R536 PolarHBondContact O-N 3.11Å
533	K	90	Very high	91.2	Very high	160 Å²	160	60 Å²	60	70%	0.696	32%	0.317	S	S	*	.	H	α-helix	trans	-58.7	-38.2	-179.1	-172.6	179.8	178.2	-177.3	0	111.9	R536 V537	K533-R536 PolarHBondContact O-N 3.45Å; K533-V537 WeakPolarHBondContact O-CG2 3.23Å; K533-V537 PolarHBondContact O-N 3.01Å; K533-V537 VanDerWaalsContact O-N 3.07Å
534	S	89.4	Confident	91.2	Very high	69 Å²	69	60.6 Å²	60.6	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-44	-178.3	72.7	0	0	0	0	111.8	D532 R536 V537 M538	D532-S534 PolarHBondContact O-N 3.32Å; D532-S534 PolarHBondContact OD1-OG 3.24Å; D532-S534 WeakPolarHBondContact OD2-CB 3.33Å; D532-S534 PolarHBondContact OD2-N 3.2Å; D532-S534 PolarHBondContact OD2-OG 3.05Å; S534-R536 PolarHBondContact O-N 2.91Å; S534-V537 WeakPolarHBondContact O-CB 3.03Å; S534-V537 PolarHBondContact O-N 2.82Å; S534-M538 PolarHBondContact O-N 3.48Å
535	V	89.8	Confident	91.3	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-37.4	177.3	173	0	0	0	0	112	C484 L528 D532 V537 M538 R539	C484-V535 HydrophobicContact CB-CG2 4.39Å; C484-V535 WeakPolarHBondContact O-CG2 3.41Å; L528-V535 HydrophobicContact CB-CG1 4.18Å; L528-V535 HydrophobicContact CD2-CG1 3.53Å; L528-V535 HydrophobicContact CG-CG1 4.44Å; D532-V535 PolarHBondContact O-N 3.29Å; D532-V535 VanDerWaalsContact OD1-CB 3.23Å; D532-V535 WeakPolarHBondContact OD1-CB 3.1Å; D532-V535 WeakPolarHBondContact OD1-CG2 3.39Å; D532-V535 PolarHBondContact OD1-N 3.26Å; D532-V535 VanDerWaalsContact OD1-N 3.08Å; V535-V537 PolarHBondContact O-N 2.97Å; V535-M538 WeakPolarHBondContact O-CB 3.45Å; V535-M538 PolarHBondContact O-N 3.28Å; V535-R539 PolarHBondContact O-N 3.49Å
536	R	91.3	Very high	91.4	Very high	125 Å²	125	59.7 Å²	59.7	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-36.8	173.7	-70.3	-168.7	-60.1	-94.9	7.3	112.9	L529 G531 D532 K533 S534 R539 S540	L529-R536 WeakPolarHBondContact O-CD 3.29Å; G531-R536 PolarHBondContact O-NH1 3.26Å; D532-R536 WeakPolarHBondContact O-CG 3.21Å; D532-R536 PolarHBondContact O-N 3.11Å; K533-R536 PolarHBondContact O-N 3.45Å; S534-R536 PolarHBondContact O-N 2.91Å; R536-R539 WeakPolarHBondContact O-CB 3.08Å; R536-R539 PolarHBondContact O-N 3.31Å; R536-S540 PolarHBondContact O-N 3.35Å
537	V	91.6	Very high	91.5	Very high	71 Å²	71	59.1 Å²	59.1	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-43.9	172.5	170.7	0	0	0	0	110.1	K533 S534 V535 R539 S540 L541	K533-V537 WeakPolarHBondContact O-CG2 3.23Å; K533-V537 PolarHBondContact O-N 3.01Å; K533-V537 VanDerWaalsContact O-N 3.07Å; S534-V537 WeakPolarHBondContact O-CB 3.03Å; S534-V537 PolarHBondContact O-N 2.82Å; V535-V537 PolarHBondContact O-N 2.97Å; V537-R539 VanDerWaalsContact C-N 3.29Å; V537-R539 PolarHBondContact O-N 3.44Å; V537-S540 WeakPolarHBondContact CA-OG 3.49Å; V537-S540 PolarHBondContact O-N 3.02Å; V537-S540 PolarHBondContact O-OG 3.37Å; V537-L541 HydrophobicContact CG1-CD1 4.12Å; V537-L541 HydrophobicContact CG1-CG 4.32Å; V537-L541 WeakPolarHBondContact O-CG 3.24Å; V537-L541 PolarHBondContact O-N 2.81Å
538	M	91.6	Very high	91.7	Very high	24 Å²	24	58 Å²	58	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-55.3	-44.1	175	-169.9	-172.5	-57.3	0	0	111.9	A490 L528 S534 V535 S540 L541 L542	A490-M538 HydrophobicContact CB-CG 4.31Å; A490-M538 HydrophobicContact CB-SD 3.23Å; A490-M538 WeakPolarHBondContact CB-SD 3.42Å; L528-M538 HydrophobicContact CD2-SD 4.32Å; S534-M538 PolarHBondContact O-N 3.48Å; V535-M538 WeakPolarHBondContact O-CB 3.45Å; V535-M538 PolarHBondContact O-N 3.28Å; M538-S540 VanDerWaalsContact C-N 3.35Å; M538-S540 PolarHBondContact O-N 3.23Å; M538-L541 PolarHBondContact O-N 3.33Å; M538-L542 WeakPolarHBondContact O-CG 3.44Å; M538-L542 PolarHBondContact O-N 3.13Å
539	R	93	Very high	91.9	Very high	96 Å²	96	57.8 Å²	57.8	36%	0.362	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-45.5	173.7	-167.3	176.9	173.2	-120.9	3.1	112.8	S525 L528 V535 R536 V537 L541 L542 A543	S525-R539 PolarHBondContact OG-NE 2.93Å; S525-R539 PolarHBondContact OG-NH2 3.4Å; L528-R539 HydrophobicContact CB-CB 3.97Å; L528-R539 HydrophobicContact CB-CG 4.08Å; L528-R539 HydrophobicContact CD1-CB 4.26Å; L528-R539 HydrophobicContact CD1-CG 4.3Å; V535-R539 PolarHBondContact O-N 3.49Å; R536-R539 WeakPolarHBondContact O-CB 3.08Å; R536-R539 PolarHBondContact O-N 3.31Å; V537-R539 VanDerWaalsContact C-N 3.29Å; V537-R539 PolarHBondContact O-N 3.44Å; R539-L541 VanDerWaalsContact C-N 3.32Å; R539-L542 PolarHBondContact O-N 2.81Å; R539-A543 PolarHBondContact O-N 2.7Å; R539-A543 VanDerWaalsContact O-N 3.09Å
540	S	92.7	Very high	92.1	Very high	69 Å²	69	57.2 Å²	57.2	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-36.9	177.9	59.1	0	0	0	0	112.4	R536 V537 M538 A543 A544	R536-S540 PolarHBondContact O-N 3.35Å; V537-S540 WeakPolarHBondContact CA-OG 3.49Å; V537-S540 PolarHBondContact O-N 3.02Å; V537-S540 PolarHBondContact O-OG 3.37Å; M538-S540 VanDerWaalsContact C-N 3.35Å; M538-S540 PolarHBondContact O-N 3.23Å; S540-A543 PolarHBondContact O-N 3.2Å; S540-A544 WeakPolarHBondContact O-CB 3.47Å; S540-A544 PolarHBondContact O-N 3.17Å
541	L	93.6	Very high	92.4	Very high	55 Å²	55	55 Å²	55	29%	0.288	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.6	-67.5	174.6	0	0	0	111.9	V537 M538 R539 A543 A544 Q545 P592	V537-L541 HydrophobicContact CG1-CD1 4.12Å; V537-L541 HydrophobicContact CG1-CG 4.32Å; V537-L541 WeakPolarHBondContact O-CG 3.24Å; V537-L541 PolarHBondContact O-N 2.81Å; M538-L541 PolarHBondContact O-N 3.33Å; R539-L541 VanDerWaalsContact C-N 3.32Å; L541-A543 PolarHBondContact O-N 3.44Å; L541-A544 PolarHBondContact O-N 3.08Å; L541-Q545 WeakPolarHBondContact O-CG 3.31Å; L541-Q545 PolarHBondContact O-N 3.08Å; L541-P592 HydrophobicContact CD1-CG 4.24Å
542	L	95	Very high	92.7	Very high	8 Å²	8	54 Å²	54	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-42.4	174.9	-66.4	172.9	0	0	0	111.6	N491 Y494 F524 L528 M538 R539 A544 Q545 Q546	N491-L542 HydrophobicContact CB-CD2 4.43Å; Y494-L542 HydrophobicContact CD1-CD2 4.37Å; Y494-L542 HydrophobicContact CD2-CB 4.5Å; Y494-L542 HydrophobicContact CD2-CD1 4.27Å; Y494-L542 HydrophobicContact CG-CD1 4.29Å; Y494-L542 HydrophobicContact CG-CD2 4.21Å; F524-L542 HydrophobicContact CE1-CD1 4.25Å; F524-L542 HydrophobicContact CZ-CD1 4.42Å; L528-L542 HydrophobicContact CD1-CD1 3.92Å; M538-L542 WeakPolarHBondContact O-CG 3.44Å; M538-L542 PolarHBondContact O-N 3.13Å; R539-L542 PolarHBondContact O-N 2.81Å; L542-A544 VanDerWaalsContact C-N 3.34Å; L542-A544 PolarHBondContact O-N 3.46Å; L542-Q545 WeakPolarHBondContact O-CB 3.47Å; L542-Q545 PolarHBondContact O-N 2.85Å; L542-Q546 PolarHBondContact O-N 3.31Å
543	A	93.9	Very high	93	Very high	52 Å²	52	50.1 Å²	50.1	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-37.8	175.8	0	0	0	0	0	112.5	R539 S540 L541 Q546 T547	R539-A543 PolarHBondContact O-N 2.7Å; R539-A543 VanDerWaalsContact O-N 3.09Å; S540-A543 PolarHBondContact O-N 3.2Å; L541-A543 PolarHBondContact O-N 3.44Å; A543-Q546 PolarHBondContact O-N 3.28Å; A543-T547 PolarHBondContact O-N 3.04Å; A543-T547 PolarHBondContact O-OG1 2.9Å
544	A	93.6	Very high	93.1	Very high	38 Å²	38	48.2 Å²	48.2	31%	0.314	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-40.2	174.5	0	0	0	0	0	111.7	S540 L541 L542 T547 F548 I591	S540-A544 WeakPolarHBondContact O-CB 3.47Å; S540-A544 PolarHBondContact O-N 3.17Å; L541-A544 PolarHBondContact O-N 3.08Å; L542-A544 VanDerWaalsContact C-N 3.34Å; L542-A544 PolarHBondContact O-N 3.46Å; A544-T547 PolarHBondContact O-N 3.04Å; A544-F548 WeakPolarHBondContact O-CB 3.34Å; A544-F548 PolarHBondContact O-N 3.23Å; A544-I591 HydrophobicContact CB-CG2 3.74Å
545	Q	95.3	Very high	93.3	Very high	2 Å²	2	45 Å²	45	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-46.8	172.4	-74.7	-179.1	-21.1	0	0	111.9	N491 W495 L541 L542 T547 F548 V549 P592 P594	N491-Q545 PolarHBondContact OD1-NE2 3.13Å; N491-Q545 PolarHBondContact OD1-OE1 2.95Å; N491-Q545 VanDerWaalsContact OD1-OE1 3.1Å; W495-Q545 HydrophobicContact CZ2-CB 4.08Å; L541-Q545 WeakPolarHBondContact O-CG 3.31Å; L541-Q545 PolarHBondContact O-N 3.08Å; L542-Q545 WeakPolarHBondContact O-CB 3.47Å; L542-Q545 PolarHBondContact O-N 2.85Å; Q545-T547 VanDerWaalsContact C-N 3.34Å; Q545-T547 PolarHBondContact O-N 3.23Å; Q545-F548 WeakPolarHBondContact O-CB 3.32Å; Q545-F548 PolarHBondContact O-N 3.39Å; Q545-V549 WeakPolarHBondContact O-CG2 3.49Å; Q545-V549 PolarHBondContact O-N 3.24Å; Q545-P592 WeakPolarHBondContact CG-O 3.36Å; Q545-P592 PolarHBondContact NE2-O 3.31Å; Q545-P594 HydrophobicContact CB-CG 4.25Å; Q545-P594 HydrophobicContact CG-CG 4.2Å
546	Q	94.3	Very high	93.5	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-49.2	176.5	-177.1	65	34	0	0	110.9	W495 L542 A543 F548 V549 D550	W495-Q546 VanDerWaalsContact CH2-OE1 3.31Å; W495-Q546 VanDerWaalsContact CZ3-OE1 3.29Å; L542-Q546 PolarHBondContact O-N 3.31Å; A543-Q546 PolarHBondContact O-N 3.28Å; Q546-F548 VanDerWaalsContact C-N 3.26Å; Q546-F548 PolarHBondContact O-N 3.03Å; Q546-V549 PolarHBondContact O-N 2.93Å; Q546-V549 VanDerWaalsContact O-N 3.13Å; Q546-D550 PolarHBondContact NE2-OD1 3.4Å; Q546-D550 VanDerWaalsContact O-CG 3.27Å; Q546-D550 PolarHBondContact O-N 3.46Å
547	T	93.7	Very high	93.6	Very high	63 Å²	63	43 Å²	43	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-39.4	178	-55.3	0	0	0	0	111.7	A543 A544 Q545 R551	A543-T547 PolarHBondContact O-N 3.04Å; A543-T547 PolarHBondContact O-OG1 2.9Å; A544-T547 PolarHBondContact O-N 3.04Å; Q545-T547 VanDerWaalsContact C-N 3.34Å; Q545-T547 PolarHBondContact O-N 3.23Å; T547-R551 VanDerWaalsContact O-CG 3.27Å; T547-R551 WeakPolarHBondContact O-CG 3.46Å; T547-R551 PolarHBondContact O-N 3.29Å; T547-R551 VanDerWaalsContact O-N 3.13Å
548	F	94.3	Very high	93.5	Very high	6 Å²	6	41 Å²	41	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175.8	177.1	-92.2	0	0	0	111.9	A544 Q545 Q546 R551 L552 L585 V588 I591 I601 I604 F623	A544-F548 WeakPolarHBondContact O-CB 3.34Å; A544-F548 PolarHBondContact O-N 3.23Å; Q545-F548 WeakPolarHBondContact O-CB 3.32Å; Q545-F548 PolarHBondContact O-N 3.39Å; Q546-F548 VanDerWaalsContact C-N 3.26Å; Q546-F548 PolarHBondContact O-N 3.03Å; F548-R551 PolarHBondContact O-N 2.82Å; F548-L552 PolarHBondContact O-N 3.01Å; F548-L585 HydrophobicContact CD2-CD2 3.57Å; F548-L585 HydrophobicContact CE2-CD2 3.43Å; F548-L585 VanDerWaalsContact CE2-CD2 3.43Å; F548-L585 HydrophobicContact CG-CD2 4.36Å; F548-L585 HydrophobicContact CZ-CD2 4.1Å; F548-V588 HydrophobicContact CD2-CG1 4.14Å; F548-V588 HydrophobicContact CD2-CG2 4.44Å; F548-V588 HydrophobicContact CE2-CG1 4.36Å; F548-V588 HydrophobicContact CE2-CG2 4.45Å; F548-I591 HydrophobicContact CB-CD1 3.75Å; F548-I591 HydrophobicContact CD1-CD1 4.25Å; F548-I591 HydrophobicContact CD2-CD1 3.98Å; F548-I591 HydrophobicContact CG-CD1 3.71Å; F548-I601 HydrophobicContact CE1-CD1 4.47Å; F548-I601 HydrophobicContact CZ-CD1 4.44Å; F548-I604 HydrophobicContact CE2-CD1 4.49Å; F548-I604 HydrophobicContact CZ-CD1 3.83Å; F548-I604 HydrophobicContact CZ-CG1 4.11Å; F548-F623 AromaticContact CE1-CE1 3.8Å; F548-F623 HydrophobicContact CE1-CE1 3.8Å; F548-F623 HydrophobicContact CE1-CZ 4.23Å; F548-F623 AromaticContact CZ-CE1 3.55Å; F548-F623 HydrophobicContact CZ-CE1 3.55Å; F548-F623 HydrophobicContact CZ-CZ 4.23Å
549	V	95.3	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-43.9	177.7	175.5	0	0	0	0	111.1	W495 Q545 Q546 R551 L552 V553 P594 F681	W495-V549 HydrophobicContact CH2-CB 3.99Å; W495-V549 HydrophobicContact CH2-CG1 4.35Å; W495-V549 HydrophobicContact CH2-CG2 3.62Å; W495-V549 HydrophobicContact CZ2-CG2 3.98Å; Q545-V549 WeakPolarHBondContact O-CG2 3.49Å; Q545-V549 PolarHBondContact O-N 3.24Å; Q546-V549 PolarHBondContact O-N 2.93Å; Q546-V549 VanDerWaalsContact O-N 3.13Å; V549-R551 VanDerWaalsContact C-N 3.32Å; V549-R551 PolarHBondContact O-N 2.86Å; V549-L552 WeakPolarHBondContact O-CB 3.43Å; V549-L552 PolarHBondContact O-N 3.03Å; V549-L552 VanDerWaalsContact O-N 3.12Å; V549-V553 HydrophobicContact CG1-CG2 4.3Å; V549-V553 WeakPolarHBondContact O-CG2 3.22Å; V549-V553 PolarHBondContact O-N 3.47Å; V549-P594 HydrophobicContact CG2-CG 4.24Å; V549-F681 HydrophobicContact CG2-CE2 3.76Å; V549-F681 HydrophobicContact CG2-CZ 4.01Å
550	D	93.7	Very high	93.3	Very high	80 Å²	80	38.5 Å²	38.5	43%	0.428	21%	0.211	S	C	.	.	H	α-helix	trans	-59.3	-42.6	178.4	-68.7	-23.9	0	0	0	112.1	Q546 V553 H554	Q546-D550 PolarHBondContact NE2-OD1 3.4Å; Q546-D550 VanDerWaalsContact O-CG 3.27Å; Q546-D550 PolarHBondContact O-N 3.46Å; D550-V553 PolarHBondContact O-N 3.28Å; D550-H554 PolarHBondContact O-N 2.76Å
551	R	93.2	Very high	93.2	Very high	96 Å²	96	45.1 Å²	45.1	36%	0.362	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-43.4	174.6	-73.4	169.5	179.7	-169	7.8	111.7	T547 F548 V549 V553 H554 L555 M583 N584 L585	T547-R551 VanDerWaalsContact O-CG 3.27Å; T547-R551 WeakPolarHBondContact O-CG 3.46Å; T547-R551 PolarHBondContact O-N 3.29Å; T547-R551 VanDerWaalsContact O-N 3.13Å; F548-R551 PolarHBondContact O-N 2.82Å; V549-R551 VanDerWaalsContact C-N 3.32Å; V549-R551 PolarHBondContact O-N 2.86Å; R551-V553 VanDerWaalsContact C-N 3.35Å; R551-V553 PolarHBondContact O-N 3.32Å; R551-H554 PolarHBondContact O-N 2.83Å; R551-L555 WeakPolarHBondContact O-CB 3.42Å; R551-L555 PolarHBondContact O-N 3.41Å; R551-M583 WeakPolarHBondContact CD-O 3.47Å; R551-N584 PolarHBondContact NH1-O 2.8Å; R551-L585 HydrophobicContact CB-CD1 4.35Å; R551-L585 HydrophobicContact CB-CD2 3.84Å; R551-L585 HydrophobicContact CB-CG 4.26Å
552	L	93.9	Very high	93	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-41	176.7	-176.1	61.2	0	0	0	111.7	F548 V549 L555 M556 L585 I604 L621 F635 F681	F548-L552 PolarHBondContact O-N 3.01Å; V549-L552 WeakPolarHBondContact O-CB 3.43Å; V549-L552 PolarHBondContact O-N 3.03Å; V549-L552 VanDerWaalsContact O-N 3.12Å; L552-L555 WeakPolarHBondContact O-CB 3.33Å; L552-L555 PolarHBondContact O-N 3.3Å; L552-M556 WeakPolarHBondContact O-CG 3.44Å; L552-M556 PolarHBondContact O-N 3.48Å; L552-L585 HydrophobicContact CD1-CD1 4.49Å; L552-I604 HydrophobicContact CD1-CD1 4.06Å; L552-L621 HydrophobicContact CD1-CD1 3.94Å; L552-L621 HydrophobicContact CD2-CD1 4.04Å; L552-F635 HydrophobicContact CD2-CB 4.33Å; L552-F635 HydrophobicContact CD2-CD1 3.94Å; L552-F635 HydrophobicContact CD2-CD2 3.71Å; L552-F635 HydrophobicContact CD2-CE1 4.13Å; L552-F635 HydrophobicContact CD2-CE2 3.9Å; L552-F635 HydrophobicContact CD2-CG 3.71Å; L552-F635 HydrophobicContact CD2-CZ 4.1Å; L552-F635 HydrophobicContact CG-CD1 4Å; L552-F635 HydrophobicContact CG-CE1 3.92Å; L552-F635 HydrophobicContact CG-CE2 4.46Å; L552-F635 HydrophobicContact CG-CG 4.3Å; L552-F635 HydrophobicContact CG-CZ 4.16Å; L552-F681 HydrophobicContact CD2-CE1 3.74Å; L552-F681 HydrophobicContact CD2-CZ 3.84Å
553	V	94.3	Very high	92.3	Very high	8 Å²	8	49 Å²	49	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-44.4	174.1	170.3	0	0	0	0	110.9	V549 D550 R551 L555 M556 K557 F635	V549-V553 HydrophobicContact CG1-CG2 4.3Å; V549-V553 WeakPolarHBondContact O-CG2 3.22Å; V549-V553 PolarHBondContact O-N 3.47Å; D550-V553 PolarHBondContact O-N 3.28Å; R551-V553 VanDerWaalsContact C-N 3.35Å; R551-V553 PolarHBondContact O-N 3.32Å; V553-L555 VanDerWaalsContact C-N 3.33Å; V553-L555 PolarHBondContact O-N 2.92Å; V553-M556 PolarHBondContact O-N 3.25Å; V553-K557 HydrophobicContact CG1-CD 4.1Å; V553-K557 WeakPolarHBondContact O-CG 3.1Å; V553-K557 PolarHBondContact O-N 2.99Å; V553-F635 HydrophobicContact CG2-CZ 3.83Å
554	H	92.7	Very high	91.7	Very high	120 Å²	120	48.8 Å²	48.8	56%	0.556	26%	0.255	S	S	*	.	H	α-helix	trans	-61.7	-42.4	177.6	-166	79.4	0	0	0	111.8	D550 R551 K557 A558	D550-H554 PolarHBondContact O-N 2.76Å; R551-H554 PolarHBondContact O-N 2.83Å; H554-K557 PolarHBondContact O-N 2.91Å; H554-A558 PolarHBondContact O-N 2.75Å; H554-A558 VanDerWaalsContact O-N 3.1Å
555	L	93.1	Very high	91.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-49.7	173.8	-172.6	155	0	0	0	111.2	R551 L552 V553 K557 A558 V559 L573 L576 L577 M583 L585	R551-L555 WeakPolarHBondContact O-CB 3.42Å; R551-L555 PolarHBondContact O-N 3.41Å; L552-L555 WeakPolarHBondContact O-CB 3.33Å; L552-L555 PolarHBondContact O-N 3.3Å; V553-L555 VanDerWaalsContact C-N 3.33Å; V553-L555 PolarHBondContact O-N 2.92Å; L555-K557 VanDerWaalsContact C-N 3.33Å; L555-K557 PolarHBondContact O-N 3.46Å; L555-A558 WeakPolarHBondContact O-CA 3.35Å; L555-A558 WeakPolarHBondContact O-CB 3.32Å; L555-A558 PolarHBondContact O-N 2.78Å; L555-V559 HydrophobicContact CD2-CG2 3.87Å; L555-V559 WeakPolarHBondContact O-CG2 3.33Å; L555-V559 PolarHBondContact O-N 2.87Å; L555-L573 HydrophobicContact CD2-CD1 3.46Å; L555-L573 VanDerWaalsContact CD2-CD1 3.46Å; L555-L576 HydrophobicContact CD1-CB 3.89Å; L555-L576 HydrophobicContact CG-CB 3.96Å; L555-L576 HydrophobicContact CG-CD1 4.36Å; L555-L577 HydrophobicContact CD1-CD2 3.65Å; L555-L577 HydrophobicContact CD1-CG 3.87Å; L555-M583 HydrophobicContact CB-SD 4.4Å; L555-M583 HydrophobicContact CD1-CG 4.38Å; L555-L585 HydrophobicContact CB-CD1 4.36Å; L555-L585 HydrophobicContact CD1-CD1 3.72Å
556	M	93.6	Very high	90.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-37.1	-179	-72	-56.2	-64.2	0	0	112.7	L552 V553 A558 V559 Q560 L573 L611 A619 F635 H637	L552-M556 WeakPolarHBondContact O-CG 3.44Å; L552-M556 PolarHBondContact O-N 3.48Å; V553-M556 PolarHBondContact O-N 3.25Å; M556-A558 VanDerWaalsContact C-N 3.31Å; M556-A558 PolarHBondContact O-N 3.19Å; M556-V559 PolarHBondContact O-N 3.49Å; M556-Q560 WeakPolarHBondContact O-CB 3.44Å; M556-Q560 WeakPolarHBondContact O-CG 3.36Å; M556-Q560 PolarHBondContact O-N 2.85Å; M556-L573 HydrophobicContact SD-CD1 4.23Å; M556-L611 HydrophobicContact CE-CD2 4.15Å; M556-A619 HydrophobicContact CE-CB 3.8Å; M556-A619 HydrophobicContact SD-CB 3.89Å; M556-F635 HydrophobicContact CB-CE1 4.31Å; M556-F635 HydrophobicContact CG-CD1 3.7Å; M556-F635 HydrophobicContact CG-CE1 3.67Å; M556-H637 HydrophobicContact CB-CB 4.34Å
557	K	92.4	Very high	90.6	Very high	91 Å²	91	63.2 Å²	63.2	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-39.9	171.5	-74.7	172.6	-179.9	170.2	0	111.7	V553 H554 L555 Q560 R561 H637	V553-K557 HydrophobicContact CG1-CD 4.1Å; V553-K557 WeakPolarHBondContact O-CG 3.1Å; V553-K557 PolarHBondContact O-N 2.99Å; H554-K557 PolarHBondContact O-N 2.91Å; L555-K557 VanDerWaalsContact C-N 3.33Å; L555-K557 PolarHBondContact O-N 3.46Å; K557-Q560 PolarHBondContact O-N 2.88Å; K557-R561 VanDerWaalsContact O-CG 3.29Å; K557-R561 WeakPolarHBondContact O-CG 3.33Å; K557-R561 PolarHBondContact O-N 3.31Å; K557-R561 VanDerWaalsContact O-N 3.16Å; K557-H637 VanDerWaalsContact CE-NE2 3.3Å; K557-H637 WeakPolarHBondContact CE-NE2 3.47Å
558	A	91.4	Very high	90.5	Very high	28 Å²	28	64.6 Å²	64.6	23%	0.231	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-40.4	176	0	0	0	0	0	112.2	H554 L555 M556 R561 E562 L576	H554-A558 PolarHBondContact O-N 2.75Å; H554-A558 VanDerWaalsContact O-N 3.1Å; L555-A558 WeakPolarHBondContact O-CA 3.35Å; L555-A558 WeakPolarHBondContact O-CB 3.32Å; L555-A558 PolarHBondContact O-N 2.78Å; M556-A558 VanDerWaalsContact C-N 3.31Å; M556-A558 PolarHBondContact O-N 3.19Å; A558-R561 PolarHBondContact O-N 3.08Å; A558-E562 PolarHBondContact O-N 2.75Å; A558-L576 HydrophobicContact CB-CD1 3.97Å
559	V	91.4	Very high	90.4	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-66	-39.3	175.5	175.4	0	0	0	0	111.7	L555 M556 R561 E562 K569 L573 L576 L611	L555-V559 HydrophobicContact CD2-CG2 3.87Å; L555-V559 WeakPolarHBondContact O-CG2 3.33Å; L555-V559 PolarHBondContact O-N 2.87Å; M556-V559 PolarHBondContact O-N 3.49Å; V559-R561 VanDerWaalsContact C-N 3.34Å; V559-R561 PolarHBondContact O-N 3.1Å; V559-E562 WeakPolarHBondContact O-CB 3.35Å; V559-E562 PolarHBondContact O-N 3.44Å; V559-K569 HydrophobicContact CG1-CB 4.34Å; V559-L573 HydrophobicContact CG1-CB 4.37Å; V559-L573 HydrophobicContact CG2-CB 4.01Å; V559-L573 HydrophobicContact CG2-CD1 4.26Å; V559-L576 HydrophobicContact CG2-CD1 4Å; V559-L611 HydrophobicContact CG1-CD1 4.01Å
560	Q	89.2	Confident	90.2	Very high	66 Å²	66	66.7 Å²	66.7	31%	0.308	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-34.8	178.2	-76.1	-179.4	-15.6	0	0	112.6	M556 K557 E562 H637	M556-Q560 WeakPolarHBondContact O-CB 3.44Å; M556-Q560 WeakPolarHBondContact O-CG 3.36Å; M556-Q560 PolarHBondContact O-N 2.85Å; K557-Q560 PolarHBondContact O-N 2.88Å; Q560-E562 VanDerWaalsContact C-N 3.31Å; Q560-E562 PolarHBondContact O-N 3.46Å; Q560-H637 PolarHBondContact NE2-ND1 3.46Å; Q560-H637 PolarHBondContact NE2-O 3.31Å; Q560-H637 VanDerWaalsContact NE2-O 3.12Å; Q560-H637 PolarHBondContact OE1-CE1 2.93Å; Q560-H637 PolarHBondContact OE1-ND1 3.09Å
561	R	89.4	Confident	90.2	Very high	208 Å²	208	67.9 Å²	67.9	79%	0.785	33%	0.326	S	S	*	.	H	α-helix	trans	-70.7	-21.3	176.2	-72.5	172.9	-174.8	-176.9	1.4	114	K557 A558 V559 S563	K557-R561 VanDerWaalsContact O-CG 3.29Å; K557-R561 WeakPolarHBondContact O-CG 3.33Å; K557-R561 PolarHBondContact O-N 3.31Å; K557-R561 VanDerWaalsContact O-N 3.16Å; A558-R561 PolarHBondContact O-N 3.08Å; V559-R561 VanDerWaalsContact C-N 3.34Å; V559-R561 PolarHBondContact O-N 3.1Å; R561-S563 PolarHBondContact O-N 3.4Å
562	E	88.6	Confident	90.1	Very high	49 Å²	49	68.2 Å²	68.2	23%	0.229	33%	0.328	C	S	.	.			trans	-64	122.8	179	-174.7	63.4	-146.8	0	0	110.3	A558 V559 Q560 K568 K569 R572	A558-E562 PolarHBondContact O-N 2.75Å; V559-E562 WeakPolarHBondContact O-CB 3.35Å; V559-E562 PolarHBondContact O-N 3.44Å; Q560-E562 VanDerWaalsContact C-N 3.31Å; Q560-E562 PolarHBondContact O-N 3.46Å; E562-K568 VanDerWaalsContact OE1-CE 3.29Å; E562-K568 WeakPolarHBondContact OE1-CE 3.38Å; E562-K568 IonicContact OE1-NZ 2.72Å; E562-K568 PolarHBondContact OE1-NZ 3.45Å; E562-K569 WeakPolarHBondContact O-CE 3.47Å; E562-K569 PolarHBondContact O-NZ 3.44Å; E562-R572 HydrophobicContact CB-CG 4.4Å; E562-R572 HydrophobicContact CG-CB 4.37Å; E562-R572 HydrophobicContact CG-CG 4.3Å
563	S	80.8	Confident	90	Very high	95 Å²	95	68.2 Å²	68.2	66%	0.664	33%	0.328	S	S	*	.			trans	-80.6	126	174.2	62.2	0	0	0	0	110.3	R561 K568	R561-S563 PolarHBondContact O-N 3.4Å; S563-K568 PolarHBondContact O-NZ 2.72Å
564	G	81.1	Confident	90	Very high	47 Å²	47	70.9 Å²	70.9	49%	0.485	34%	0.339	S	S	.	.	S	Bend	trans	154.5	179.4	175.5	0	0	0	0	0	113.7
565	N	84.8	Confident	89.9	Confident	108 Å²	108	67.9 Å²	67.9	58%	0.578	34%	0.336	S	S	*	.			trans	-69.2	166.1	174.4	67.7	17.4	0	0	0	111.5	K567 K568 K569	N565-K567 PolarHBondContact O-N 3.17Å; N565-K567 VanDerWaalsContact O-N 3.13Å; N565-K567 PolarHBondContact OD1-N 2.92Å; N565-K568 PolarHBondContact O-N 3.33Å; N565-K568 VanDerWaalsContact O-N 3.14Å; N565-K568 PolarHBondContact OD1-N 2.78Å; N565-K569 PolarHBondContact O-N 2.85Å; N565-K569 VanDerWaalsContact O-N 3.16Å
566	R	86.9	Confident	89.8	Confident	118 Å²	118	68.4 Å²	68.4	45%	0.445	34%	0.338	S	S	.	.	H	α-helix	trans	-54.7	-33.4	-179.7	-171.2	177.3	68.3	99.4	1.3	113.1	K569 N570 L611	R566-K569 PolarHBondContact O-N 3.41Å; R566-N570 PolarHBondContact O-N 2.93Å; R566-L611 HydrophobicContact CG-CB 4.36Å; R566-L611 PolarHBondContact NH1-O 3.42Å
567	K	89.8	Confident	89.6	Confident	141 Å²	141	68.3 Å²	68.3	61%	0.613	34%	0.338	S	S	*	.	H	α-helix	trans	-63.2	-49.2	178.5	-173.5	-179.1	175.6	-175.7	0	111.4	N565 K569 N570 E571	N565-K567 PolarHBondContact O-N 3.17Å; N565-K567 VanDerWaalsContact O-N 3.13Å; N565-K567 PolarHBondContact OD1-N 2.92Å; K567-K569 VanDerWaalsContact C-N 3.29Å; K567-K569 PolarHBondContact O-N 3.39Å; K567-N570 WeakPolarHBondContact O-CB 3.4Å; K567-N570 PolarHBondContact O-N 3.47Å; K567-N570 VanDerWaalsContact O-N 3.16Å; K567-E571 VanDerWaalsContact CE-OE1 3.26Å; K567-E571 WeakPolarHBondContact CE-OE1 3.28Å; K567-E571 WeakPolarHBondContact O-CG 3.35Å; K567-E571 PolarHBondContact O-N 3.27Å
568	K	90.8	Very high	89.3	Confident	91 Å²	91	66 Å²	66	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-38.7	176.1	-164.5	-173.8	-172.3	-148	0	111.9	E562 S563 N565 E571 R572	E562-K568 VanDerWaalsContact OE1-CE 3.29Å; E562-K568 WeakPolarHBondContact OE1-CE 3.38Å; E562-K568 IonicContact OE1-NZ 2.72Å; E562-K568 PolarHBondContact OE1-NZ 3.45Å; S563-K568 PolarHBondContact O-NZ 2.72Å; N565-K568 PolarHBondContact O-N 3.33Å; N565-K568 VanDerWaalsContact O-N 3.14Å; N565-K568 PolarHBondContact OD1-N 2.78Å; K568-E571 PolarHBondContact O-N 2.99Å; K568-R572 WeakPolarHBondContact O-CB 3.38Å; K568-R572 PolarHBondContact O-N 2.95Å
569	K	91.6	Very high	88.9	Confident	29 Å²	29	66.7 Å²	66.7	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-38.3	175.1	-67.9	-171.2	168.8	-167	0	112.8	V559 E562 N565 R566 K567 R572 L573 L611 M617	V559-K569 HydrophobicContact CG1-CB 4.34Å; E562-K569 WeakPolarHBondContact O-CE 3.47Å; E562-K569 PolarHBondContact O-NZ 3.44Å; N565-K569 PolarHBondContact O-N 2.85Å; N565-K569 VanDerWaalsContact O-N 3.16Å; R566-K569 PolarHBondContact O-N 3.41Å; K567-K569 VanDerWaalsContact C-N 3.29Å; K567-K569 PolarHBondContact O-N 3.39Å; K569-R572 PolarHBondContact O-N 3.3Å; K569-L573 WeakPolarHBondContact O-CB 3.47Å; K569-L573 PolarHBondContact O-N 3.48Å; K569-L611 HydrophobicContact CB-CD1 3.57Å; K569-M617 HydrophobicContact CD-CE 3.9Å; K569-M617 HydrophobicContact CD-SD 3.91Å; K569-M617 VanDerWaalsContact NZ-CE 3.35Å
570	N	92.8	Very high	87.8	Confident	22 Å²	22	70.4 Å²	70.4	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-49.4	172.3	-76.2	-17.2	0	0	0	111	R566 K567 R572 L573 Q574 L611	R566-N570 PolarHBondContact O-N 2.93Å; K567-N570 WeakPolarHBondContact O-CB 3.4Å; K567-N570 PolarHBondContact O-N 3.47Å; K567-N570 VanDerWaalsContact O-N 3.16Å; N570-R572 PolarHBondContact O-N 3.47Å; N570-L573 WeakPolarHBondContact O-CB 3.47Å; N570-L573 PolarHBondContact O-N 2.97Å; N570-L573 VanDerWaalsContact O-N 3.11Å; N570-Q574 VanDerWaalsContact O-CG 3.29Å; N570-Q574 WeakPolarHBondContact O-CG 3.44Å; N570-Q574 PolarHBondContact O-N 3.04Å; N570-L611 VanDerWaalsContact OD1-CB 3.23Å; N570-L611 WeakPolarHBondContact OD1-CB 3.32Å; N570-L611 VanDerWaalsContact OD1-CG 3.23Å; N570-L611 WeakPolarHBondContact OD1-CG 3.46Å; N570-L611 PolarHBondContact OD1-N 3.27Å
571	E	92.1	Very high	86.7	Confident	104 Å²	104	76.1 Å²	76.1	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-57	-40.9	177.3	-70.4	166	-172.9	0	0	111.2	K567 K568 Q574 A575	K567-E571 VanDerWaalsContact CE-OE1 3.26Å; K567-E571 WeakPolarHBondContact CE-OE1 3.28Å; K567-E571 WeakPolarHBondContact O-CG 3.35Å; K567-E571 PolarHBondContact O-N 3.27Å; K568-E571 PolarHBondContact O-N 2.99Å; E571-Q574 PolarHBondContact O-N 3.49Å; E571-A575 VanDerWaalsContact O-CB 3.28Å; E571-A575 WeakPolarHBondContact O-CB 3.49Å; E571-A575 PolarHBondContact O-N 3.4Å
572	R	91.6	Very high	85.5	Confident	104 Å²	104	73.9 Å²	73.9	39%	0.392	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-43.3	175.1	-175	58.4	170.1	165.4	0.9	113	E562 K568 K569 N570 A575 L576	E562-R572 HydrophobicContact CB-CG 4.4Å; E562-R572 HydrophobicContact CG-CB 4.37Å; E562-R572 HydrophobicContact CG-CG 4.3Å; K568-R572 WeakPolarHBondContact O-CB 3.38Å; K568-R572 PolarHBondContact O-N 2.95Å; K569-R572 PolarHBondContact O-N 3.3Å; N570-R572 PolarHBondContact O-N 3.47Å; R572-A575 PolarHBondContact O-N 3.37Å; R572-L576 HydrophobicContact CG-CD1 4.08Å; R572-L576 HydrophobicContact CG-CG 4.5Å; R572-L576 WeakPolarHBondContact O-CB 3.49Å; R572-L576 VanDerWaalsContact O-CG 3.29Å; R572-L576 WeakPolarHBondContact O-CG 3.49Å; R572-L576 PolarHBondContact O-N 2.72Å
573	L	92.7	Very high	84.5	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.3	-49.8	175.4	169.6	61.7	0	0	0	110.8	L555 M556 V559 K569 N570 L576 L577 A609 L611 A619	L555-L573 HydrophobicContact CD2-CD1 3.46Å; L555-L573 VanDerWaalsContact CD2-CD1 3.46Å; M556-L573 HydrophobicContact SD-CD1 4.23Å; V559-L573 HydrophobicContact CG1-CB 4.37Å; V559-L573 HydrophobicContact CG2-CB 4.01Å; V559-L573 HydrophobicContact CG2-CD1 4.26Å; K569-L573 WeakPolarHBondContact O-CB 3.47Å; K569-L573 PolarHBondContact O-N 3.48Å; N570-L573 WeakPolarHBondContact O-CB 3.47Å; N570-L573 PolarHBondContact O-N 2.97Å; N570-L573 VanDerWaalsContact O-N 3.11Å; L573-L576 PolarHBondContact O-N 3.15Å; L573-L577 HydrophobicContact CD1-CD1 3.71Å; L573-L577 HydrophobicContact CD1-CG 4.13Å; L573-L577 HydrophobicContact CG-CD1 4.01Å; L573-L577 WeakPolarHBondContact O-CB 3.18Å; L573-L577 WeakPolarHBondContact O-CG 3.44Å; L573-L577 PolarHBondContact O-N 3.21Å; L573-A609 HydrophobicContact CD2-CB 4.06Å; L573-A609 HydrophobicContact CG-CB 4.2Å; L573-L611 HydrophobicContact CD2-CD2 3.89Å; L573-L611 HydrophobicContact CD2-CG 4Å; L573-A619 HydrophobicContact CD2-CB 4.37Å
574	Q	93.8	Very high	84.4	Confident	63 Å²	63	71.1 Å²	71.1	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-43.1	-179.7	-61.9	-177.4	-13.2	0	0	111.6	N570 E571 L576 L577 G578 P606 E607 A609	N570-Q574 VanDerWaalsContact O-CG 3.29Å; N570-Q574 WeakPolarHBondContact O-CG 3.44Å; N570-Q574 PolarHBondContact O-N 3.04Å; E571-Q574 PolarHBondContact O-N 3.49Å; Q574-L576 PolarHBondContact O-N 3.09Å; Q574-L577 PolarHBondContact O-N 2.95Å; Q574-G578 PolarHBondContact O-N 2.92Å; Q574-P606 VanDerWaalsContact CG-O 3.3Å; Q574-P606 WeakPolarHBondContact CG-O 3.35Å; Q574-E607 PolarHBondContact NE2-O 3.47Å; Q574-A609 PolarHBondContact NE2-O 2.9Å
575	A	91	Very high	84.5	Confident	58 Å²	58	68.9 Å²	68.9	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-42.3	176.7	0	0	0	0	0	112.8	E571 R572 G578 D579	E571-A575 VanDerWaalsContact O-CB 3.28Å; E571-A575 WeakPolarHBondContact O-CB 3.49Å; E571-A575 PolarHBondContact O-N 3.4Å; R572-A575 PolarHBondContact O-N 3.37Å; A575-G578 PolarHBondContact O-N 3.27Å; A575-D579 PolarHBondContact O-N 3.39Å
576	L	90.6	Very high	84.4	Confident	10 Å²	10	65 Å²	65	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-70.7	-32.5	178	-72.2	174.8	0	0	0	112.8	L555 A558 V559 R572 L573 Q574	L555-L576 HydrophobicContact CD1-CB 3.89Å; L555-L576 HydrophobicContact CG-CB 3.96Å; L555-L576 HydrophobicContact CG-CD1 4.36Å; A558-L576 HydrophobicContact CB-CD1 3.97Å; V559-L576 HydrophobicContact CG2-CD1 4Å; R572-L576 HydrophobicContact CG-CD1 4.08Å; R572-L576 HydrophobicContact CG-CG 4.5Å; R572-L576 WeakPolarHBondContact O-CB 3.49Å; R572-L576 VanDerWaalsContact O-CG 3.29Å; R572-L576 WeakPolarHBondContact O-CG 3.49Å; R572-L576 PolarHBondContact O-N 2.72Å; L573-L576 PolarHBondContact O-N 3.15Å; Q574-L576 PolarHBondContact O-N 3.09Å
577	L	89.6	Confident	84.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-35.5	174.5	-76.7	169.6	0	0	0	111.9	L555 L573 Q574 D579 L585 I604 P606 A609 L621	L555-L577 HydrophobicContact CD1-CD2 3.65Å; L555-L577 HydrophobicContact CD1-CG 3.87Å; L573-L577 HydrophobicContact CD1-CD1 3.71Å; L573-L577 HydrophobicContact CD1-CG 4.13Å; L573-L577 HydrophobicContact CG-CD1 4.01Å; L573-L577 WeakPolarHBondContact O-CB 3.18Å; L573-L577 WeakPolarHBondContact O-CG 3.44Å; L573-L577 PolarHBondContact O-N 3.21Å; Q574-L577 PolarHBondContact O-N 2.95Å; L577-D579 VanDerWaalsContact C-N 3.32Å; L577-L585 HydrophobicContact CD2-CB 4.32Å; L577-L585 HydrophobicContact CD2-CD1 4.29Å; L577-I604 HydrophobicContact CD1-CG2 4.04Å; L577-I604 HydrophobicContact CD2-CB 4.23Å; L577-I604 HydrophobicContact CD2-CD1 3.91Å; L577-I604 HydrophobicContact CD2-CG2 4.09Å; L577-P606 HydrophobicContact CB-CB 3.84Å; L577-P606 HydrophobicContact CB-CG 4.07Å; L577-A609 HydrophobicContact CD1-CB 3.51Å; L577-L621 HydrophobicContact CD1-CD2 4.24Å
578	G	85.1	Confident	84	Confident	43 Å²	43	58.7 Å²	58.7	44%	0.443	30%	0.302	S	S	.	.	H	α-helix	trans	-77.4	-11.4	176.2	0	0	0	0	0	114.9	Q574 A575 N580	Q574-G578 PolarHBondContact O-N 2.92Å; A575-G578 PolarHBondContact O-N 3.27Å; G578-N580 PolarHBondContact O-N 2.88Å
579	D	83.4	Confident	83.7	Confident	43 Å²	43	62.9 Å²	62.9	23%	0.23	32%	0.323	C	S	.	.			trans	-82.7	91.8	178.4	-173	-11.7	0	0	0	111	A575 L577 E581 K582 M583	A575-D579 PolarHBondContact O-N 3.39Å; L577-D579 VanDerWaalsContact C-N 3.32Å; D579-E581 VanDerWaalsContact C-N 3.29Å; D579-E581 PolarHBondContact O-N 3.42Å; D579-E581 PolarHBondContact OD1-N 2.91Å; D579-E581 VanDerWaalsContact OD1-N 3.17Å; D579-K582 PolarHBondContact OD1-N 3.47Å; D579-M583 PolarHBondContact O-N 2.83Å
580	N	69.1	Low	83.8	Confident	80 Å²	80	64.3 Å²	64.3	43%	0.428	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.3	-180	-77.7	-13.3	0	0	0	114.4	G578 S586	G578-N580 PolarHBondContact O-N 2.88Å; N580-S586 VanDerWaalsContact CG-OG 3.32Å; N580-S586 PolarHBondContact ND2-OG 3.46Å; N580-S586 PolarHBondContact OD1-OG 3.25Å
581	E	65.4	Low	83.8	Confident	186 Å²	186	63.7 Å²	63.7	87%	0.869	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-33.3	-179.9	-66.5	-169.4	161.2	0	0	112.1	D579	D579-E581 VanDerWaalsContact C-N 3.29Å; D579-E581 PolarHBondContact O-N 3.42Å; D579-E581 PolarHBondContact OD1-N 2.91Å; D579-E581 VanDerWaalsContact OD1-N 3.17Å
582	K	63.7	Low	84	Confident	160 Å²	160	59.7 Å²	59.7	70%	0.696	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-39.7	-174.8	-69.1	-178.3	-174.6	163.8	0	114.7	D579	D579-K582 PolarHBondContact OD1-N 3.47Å
583	M	68.1	Low	84.2	Confident	21 Å²	21	54.8 Å²	54.8	10%	0.103	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-32.5	-169.7	-61.9	-67.3	172	0	0	112.8	R551 L555 D579 L585	R551-M583 WeakPolarHBondContact CD-O 3.47Å; L555-M583 HydrophobicContact CB-SD 4.4Å; L555-M583 HydrophobicContact CD1-CG 4.38Å; D579-M583 PolarHBondContact O-N 2.83Å; M583-L585 HydrophobicContact CB-CD1 4.18Å; M583-L585 HydrophobicContact CB-CG 4.29Å; M583-L585 PolarHBondContact O-N 3.29Å
584	N	78.2	Confident	84.3	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.353	29%	0.293	S	S	.	.			trans	44	59.8	-178.7	-168.6	10	0	0	0	112.2	R551 D587 V588	R551-N584 PolarHBondContact NH1-O 2.8Å; N584-D587 PolarHBondContact OD1-O 3.05Å; N584-V588 WeakPolarHBondContact O-CG1 3.3Å
585	L	83.4	Confident	84.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.			trans	-116.1	-15.4	-179.1	-73.1	173.1	0	0	0	113.1	F548 R551 L552 L555 L577 M583 G603 I604	F548-L585 HydrophobicContact CD2-CD2 3.57Å; F548-L585 HydrophobicContact CE2-CD2 3.43Å; F548-L585 VanDerWaalsContact CE2-CD2 3.43Å; F548-L585 HydrophobicContact CG-CD2 4.36Å; F548-L585 HydrophobicContact CZ-CD2 4.1Å; R551-L585 HydrophobicContact CB-CD1 4.35Å; R551-L585 HydrophobicContact CB-CD2 3.84Å; R551-L585 HydrophobicContact CB-CG 4.26Å; L552-L585 HydrophobicContact CD1-CD1 4.49Å; L555-L585 HydrophobicContact CB-CD1 4.36Å; L555-L585 HydrophobicContact CD1-CD1 3.72Å; L577-L585 HydrophobicContact CD2-CB 4.32Å; L577-L585 HydrophobicContact CD2-CD1 4.29Å; M583-L585 HydrophobicContact CB-CD1 4.18Å; M583-L585 HydrophobicContact CB-CG 4.29Å; M583-L585 PolarHBondContact O-N 3.29Å; L585-G603 VanDerWaalsContact O-CA 3.32Å; L585-G603 WeakPolarHBondContact O-CA 3.5Å; L585-I604 PolarHBondContact O-N 3.26Å
586	S	81.9	Confident	84.6	Confident	27 Å²	27	50.8 Å²	50.8	19%	0.189	26%	0.264	C	S	.	.	S	Bend	trans	-84.4	-27.9	-179.7	78	0	0	0	0	113.3	N580	N580-S586 VanDerWaalsContact CG-OG 3.32Å; N580-S586 PolarHBondContact ND2-OG 3.46Å; N580-S586 PolarHBondContact OD1-OG 3.25Å
587	D	83.1	Confident	84.8	Confident	105 Å²	105	51 Å²	51	56%	0.561	27%	0.267	S	S	*	.	S	Bend	trans	-140.8	84.8	179.1	-159.3	20.7	0	0	0	110.4	N584 R602	N584-D587 PolarHBondContact OD1-O 3.05Å; D587-R602 CarbonylContact C-O 3.14Å; D587-R602 WeakPolarHBondContact CA-O 3.49Å
588	V	85.1	Confident	84.9	Confident	21 Å²	21	57.8 Å²	57.8	13%	0.127	30%	0.298	C	S	.	.			trans	-99.8	156.6	178	-62.5	0	0	0	0	111	F548 N584 R602	F548-V588 HydrophobicContact CD2-CG1 4.14Å; F548-V588 HydrophobicContact CD2-CG2 4.44Å; F548-V588 HydrophobicContact CE2-CG1 4.36Å; F548-V588 HydrophobicContact CE2-CG2 4.45Å; N584-V588 WeakPolarHBondContact O-CG1 3.3Å; V588-R602 VanDerWaalsContact CG2-C 3.43Å; V588-R602 WeakPolarHBondContact CG2-O 3.36Å; V588-R602 PolarHBondContact N-O 3.45Å
589	E	86.1	Confident	85.3	Confident	179 Å²	179	56.9 Å²	56.9	84%	0.836	28%	0.284	S	S	*	.			trans	-54.6	149.4	165.5	-69.9	-174.2	176.3	0	0	110.5	I591	E589-I591 PolarHBondContact O-N 3.02Å
590	L	92	Very high	85.8	Confident	59 Å²	59	59.2 Å²	59.2	31%	0.309	29%	0.292	S	S	.	.			trans	-62.8	109.6	-173.5	-173.1	71.8	0	0	0	110.8	K600 R602 E626	L590-K600 HydrophobicContact CD1-CB 3.76Å; L590-K600 HydrophobicContact CD2-CB 4.44Å; L590-K600 HydrophobicContact CD2-CD 3.86Å; L590-K600 HydrophobicContact CG-CB 4.04Å; L590-K600 HydrophobicContact CG-CD 4.16Å; L590-R602 HydrophobicContact CD1-CG 3.78Å; L590-E626 HydrophobicContact CD1-CB 4.02Å; L590-E626 HydrophobicContact CD1-CG 4.23Å; L590-E626 HydrophobicContact CD2-CG 4.18Å; L590-E626 WeakPolarHBondContact CD2-OE1 3.49Å
591	I	94.4	Very high	87.1	Confident	8 Å²	8	55.4 Å²	55.4	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.2	178	60	175	0	0	0	110.9	A544 F548 E589 K600 I601	A544-I591 HydrophobicContact CB-CG2 3.74Å; F548-I591 HydrophobicContact CB-CD1 3.75Å; F548-I591 HydrophobicContact CD1-CD1 4.25Å; F548-I591 HydrophobicContact CD2-CD1 3.98Å; F548-I591 HydrophobicContact CG-CD1 3.71Å; E589-I591 PolarHBondContact O-N 3.02Å; I591-K600 WeakPolarHBondContact O-CA 3.41Å; I591-I601 HydrophobicContact CD1-CD1 4.22Å; I591-I601 HydrophobicContact CD1-CG1 4.44Å; I591-I601 HydrophobicContact CG1-CD1 4.06Å; I591-I601 HydrophobicContact CG1-CG1 3.73Å; I591-I601 PolarHBondContact N-O 3.08Å; I591-I601 VanDerWaalsContact N-O 3.13Å; I591-I601 VanDerWaalsContact O-CG1 3.31Å; I591-I601 WeakPolarHBondContact O-CG1 3.35Å; I591-I601 PolarHBondContact O-N 3.3Å
592	P	95.3	Very high	88.3	Confident	21 Å²	21	51.9 Å²	51.9	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	142.6	166.5	-16.6	29.7	0	0	0	110.3	L541 Q545	L541-P592 HydrophobicContact CD1-CG 4.24Å; Q545-P592 WeakPolarHBondContact CG-O 3.36Å; Q545-P592 PolarHBondContact NE2-O 3.31Å
593	L	95.4	Very high	89.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.2	173.9	-179.8	69.3	0	0	0	109.4	L595 E596 V599 I601 F623 Y631 V633	L593-L595 VanDerWaalsContact C-N 3.27Å; L593-L595 HydrophobicContact CD2-CB 4.14Å; L593-L595 HydrophobicContact CG-CB 4.13Å; L593-L595 PolarHBondContact O-N 3.22Å; L593-E596 HydrophobicContact CD2-CB 4.49Å; L593-E596 CarbonylContact O-C 3.4Å; L593-E596 PolarHBondContact O-N 3.07Å; L593-E596 VanDerWaalsContact O-N 3.09Å; L593-V599 HydrophobicContact CB-CB 4.46Å; L593-V599 WeakPolarHBondContact CB-O 3.44Å; L593-V599 PolarHBondContact N-O 3.15Å; L593-I601 HydrophobicContact CB-CG2 4.19Å; L593-I601 HydrophobicContact CD1-CD1 3.95Å; L593-I601 HydrophobicContact CD1-CG2 4.5Å; L593-F623 HydrophobicContact CD1-CD1 4.37Å; L593-F623 HydrophobicContact CD1-CD2 4.49Å; L593-F623 HydrophobicContact CD1-CE1 4.16Å; L593-F623 HydrophobicContact CD1-CE2 4.37Å; L593-F623 HydrophobicContact CD1-CG 4.49Å; L593-F623 HydrophobicContact CD1-CZ 4.18Å; L593-Y631 HydrophobicContact CD2-CD1 3.8Å; L593-Y631 HydrophobicContact CD2-CE1 3.74Å; L593-V633 HydrophobicContact CD2-CG2 4.15Å
594	P	96.1	Very high	90.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-44.6	179	-33.1	38.8	0	0	0	113.7	N491 W495 Q545 V549 E596 L673 F681	N491-P594 PolarHBondContact ND2-O 3.47Å; W495-P594 HydrophobicContact CZ2-CB 4.06Å; W495-P594 HydrophobicContact CZ2-CG 3.95Å; Q545-P594 HydrophobicContact CB-CG 4.25Å; Q545-P594 HydrophobicContact CG-CG 4.2Å; V549-P594 HydrophobicContact CG2-CG 4.24Å; P594-E596 VanDerWaalsContact C-N 3.35Å; P594-E596 PolarHBondContact O-N 3.26Å; P594-L673 HydrophobicContact CB-CD2 3.82Å; P594-L673 WeakPolarHBondContact O-CD2 3.42Å; P594-F681 HydrophobicContact CB-CD2 4.49Å; P594-F681 HydrophobicContact CB-CE2 4.42Å; P594-F681 HydrophobicContact CG-CE2 4.45Å
595	L	96.2	Very high	91.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.7	-179.5	-177.6	66.6	0	0	0	113	Y492 L593 V633 K671 L673 F681 Q683	Y492-L595 PolarHBondContact OH-O 3.39Å; L593-L595 VanDerWaalsContact C-N 3.27Å; L593-L595 HydrophobicContact CD2-CB 4.14Å; L593-L595 HydrophobicContact CG-CB 4.13Å; L593-L595 PolarHBondContact O-N 3.22Å; L595-V633 HydrophobicContact CD2-CG1 4.07Å; L595-V633 HydrophobicContact CD2-CG2 4.44Å; L595-K671 HydrophobicContact CD1-CB 3.79Å; L595-K671 HydrophobicContact CG-CB 4.07Å; L595-L673 HydrophobicContact CD1-CB 3.85Å; L595-F681 HydrophobicContact CB-CB 4.07Å; L595-F681 HydrophobicContact CD1-CB 4.13Å; L595-F681 HydrophobicContact CD2-CB 4.29Å; L595-F681 HydrophobicContact CG-CB 4.4Å; L595-Q683 HydrophobicContact CD2-CB 4.15Å
596	E	94.7	Very high	92.1	Very high	36 Å²	36	42.4 Å²	42.4	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	93.1	-176.4	-175	165.1	-150.6	0	0	110.3	L593 P594 Q598 V599 Y631 K671	L593-E596 HydrophobicContact CD2-CB 4.49Å; L593-E596 CarbonylContact O-C 3.4Å; L593-E596 PolarHBondContact O-N 3.07Å; L593-E596 VanDerWaalsContact O-N 3.09Å; P594-E596 VanDerWaalsContact C-N 3.35Å; P594-E596 PolarHBondContact O-N 3.26Å; E596-Q598 HydrophobicContact CG-CB 4.45Å; E596-Q598 PolarHBondContact O-N 3.41Å; E596-V599 HydrophobicContact CB-CG2 4.37Å; E596-V599 HydrophobicContact CG-CG2 3.94Å; E596-V599 PolarHBondContact O-N 3.23Å; E596-Y631 VanDerWaalsContact OE2-CZ 3.26Å; E596-Y631 PolarHBondContact OE2-OH 2.71Å; E596-K671 HydrophobicContact CB-CD 4.34Å; E596-K671 HydrophobicContact CG-CD 4.46Å; E596-K671 IonicContact OE1-NZ 3.17Å; E596-K671 PolarHBondContact OE1-NZ 3.42Å; E596-K671 IonicContact OE2-NZ 3.29Å
597	P	93.4	Very high	92.6	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.104	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-17.5	-172	-28.1	38.2	0	0	0	115.1	T488 N491 Y492 V599	T488-P597 HydrophobicContact CG2-CG 4.3Å; N491-P597 HydrophobicContact CB-CB 4.22Å; N491-P597 HydrophobicContact CB-CG 3.57Å; N491-P597 VanDerWaalsContact ND2-CG 3.3Å; N491-P597 WeakPolarHBondContact ND2-CG 3.44Å; Y492-P597 HydrophobicContact CE2-CG 4.29Å; Y492-P597 WeakPolarHBondContact OH-CD 3.36Å; P597-V599 VanDerWaalsContact C-N 3.26Å
598	Q	92.3	Very high	93	Very high	141 Å²	141	44.5 Å²	44.5	66%	0.659	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	-22.8	175.5	-59.2	-62.3	-17.8	0	0	112.1	T488 E596	T488-Q598 PolarHBondContact OG1-NE2 3.17Å; T488-Q598 VanDerWaalsContact OG1-NE2 3.08Å; E596-Q598 HydrophobicContact CG-CB 4.45Å; E596-Q598 PolarHBondContact O-N 3.41Å
599	V	94.2	Very high	93.4	Very high	25 Å²	25	43.5 Å²	43.5	15%	0.152	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.1	177.2	-179.2	0	0	0	0	108.8	L593 E596 P597 I601 T625 Y631	L593-V599 HydrophobicContact CB-CB 4.46Å; L593-V599 WeakPolarHBondContact CB-O 3.44Å; L593-V599 PolarHBondContact N-O 3.15Å; E596-V599 HydrophobicContact CB-CG2 4.37Å; E596-V599 HydrophobicContact CG-CG2 3.94Å; E596-V599 PolarHBondContact O-N 3.23Å; P597-V599 VanDerWaalsContact C-N 3.26Å; V599-I601 HydrophobicContact CG1-CG2 4.26Å; V599-T625 HydrophobicContact CG1-CG2 3.66Å; V599-Y631 HydrophobicContact CG1-CD2 4.17Å; V599-Y631 HydrophobicContact CG1-CG 4.2Å; V599-Y631 HydrophobicContact CG2-CD2 4.13Å; V599-Y631 HydrophobicContact CG2-CE2 3.98Å
600	K	94.6	Very high	93.9	Very high	91 Å²	91	37.2 Å²	37.2	40%	0.396	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.7	173.3	-60.9	-178.8	-164.8	157.6	0	111	L590 I591 T625 E626	L590-K600 HydrophobicContact CD1-CB 3.76Å; L590-K600 HydrophobicContact CD2-CB 4.44Å; L590-K600 HydrophobicContact CD2-CD 3.86Å; L590-K600 HydrophobicContact CG-CB 4.04Å; L590-K600 HydrophobicContact CG-CD 4.16Å; I591-K600 WeakPolarHBondContact O-CA 3.41Å; K600-T625 CarbonylContact O-C 3.5Å; K600-T625 WeakPolarHBondContact O-CA 3.26Å; K600-E626 HydrophobicContact CB-CB 4.33Å; K600-E626 WeakPolarHBondContact CD-OE2 3.5Å; K600-E626 IonicContact NZ-OE2 2.67Å; K600-E626 PolarHBondContact O-N 3.31Å
601	I	94.9	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.1	-172.3	58.6	164.4	0	0	0	111.5	F548 I591 L593 V599 F623 K624	F548-I601 HydrophobicContact CE1-CD1 4.47Å; F548-I601 HydrophobicContact CZ-CD1 4.44Å; I591-I601 HydrophobicContact CD1-CD1 4.22Å; I591-I601 HydrophobicContact CD1-CG1 4.44Å; I591-I601 HydrophobicContact CG1-CD1 4.06Å; I591-I601 HydrophobicContact CG1-CG1 3.73Å; I591-I601 PolarHBondContact N-O 3.08Å; I591-I601 VanDerWaalsContact N-O 3.13Å; I591-I601 VanDerWaalsContact O-CG1 3.31Å; I591-I601 WeakPolarHBondContact O-CG1 3.35Å; I591-I601 PolarHBondContact O-N 3.3Å; L593-I601 HydrophobicContact CB-CG2 4.19Å; L593-I601 HydrophobicContact CD1-CD1 3.95Å; L593-I601 HydrophobicContact CD1-CG2 4.5Å; V599-I601 HydrophobicContact CG1-CG2 4.26Å; I601-F623 HydrophobicContact CB-CB 4.39Å; I601-F623 HydrophobicContact CB-CD1 4.15Å; I601-F623 HydrophobicContact CD1-CD1 3.39Å; I601-F623 HydrophobicContact CD1-CE1 3.52Å; I601-F623 HydrophobicContact CD1-CG 4.44Å; I601-F623 HydrophobicContact CG1-CD1 4.35Å; I601-F623 HydrophobicContact CG2-CB 3.74Å; I601-F623 HydrophobicContact CG2-CD1 4.07Å; I601-F623 HydrophobicContact CG2-CG 4.19Å; I601-K624 CarbonylContact C-O 3.49Å; I601-K624 WeakPolarHBondContact CA-O 3.4Å
602	R	92.1	Very high	93.8	Very high	113 Å²	113	37.3 Å²	37.3	43%	0.426	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-3.2	173.3	-67.4	-166.1	-176.9	-168.3	3.3	113.7	D587 V588 L590 K624	D587-R602 CarbonylContact C-O 3.14Å; D587-R602 WeakPolarHBondContact CA-O 3.49Å; V588-R602 VanDerWaalsContact CG2-C 3.43Å; V588-R602 WeakPolarHBondContact CG2-O 3.36Å; V588-R602 PolarHBondContact N-O 3.45Å; L590-R602 HydrophobicContact CD1-CG 3.78Å; R602-K624 PolarHBondContact N-O 3.07Å
603	G	91.8	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.9	-175.4	179.7	0	0	0	0	0	113.2	L585 F623 K624	L585-G603 VanDerWaalsContact O-CA 3.32Å; L585-G603 WeakPolarHBondContact O-CA 3.5Å; G603-F623 WeakPolarHBondContact O-CA 3.49Å; G603-K624 PolarHBondContact O-N 3.49Å
604	I	94	Very high	92.6	Very high	2 Å²	2	49 Å²	49	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.7	-179.2	-60.4	165.4	0	0	0	109.6	F548 L552 L577 L585 P606 L621 F623	F548-I604 HydrophobicContact CE2-CD1 4.49Å; F548-I604 HydrophobicContact CZ-CD1 3.83Å; F548-I604 HydrophobicContact CZ-CG1 4.11Å; L552-I604 HydrophobicContact CD1-CD1 4.06Å; L577-I604 HydrophobicContact CD1-CG2 4.04Å; L577-I604 HydrophobicContact CD2-CB 4.23Å; L577-I604 HydrophobicContact CD2-CD1 3.91Å; L577-I604 HydrophobicContact CD2-CG2 4.09Å; L585-I604 PolarHBondContact O-N 3.26Å; I604-P606 WeakPolarHBondContact O-CD 3.43Å; I604-L621 HydrophobicContact CD1-CD1 4.11Å; I604-L621 HydrophobicContact CG2-CB 4.27Å; I604-L621 HydrophobicContact CG2-CD2 4.19Å; I604-F623 HydrophobicContact CD1-CE1 4.22Å; I604-F623 HydrophobicContact CD1-CZ 4.27Å; I604-F623 HydrophobicContact CG1-CD1 3.96Å; I604-F623 HydrophobicContact CG1-CE1 3.66Å; I604-F623 HydrophobicContact CG1-CZ 4.01Å
605	I	93.8	Very high	91.8	Very high	30 Å²	30	53.7 Å²	53.7	15%	0.154	28%	0.276	C	S	.	.			trans	-81.8	106.4	176.1	-57	172.1	0	0	0	109.4	E607 T608 F622 K624 K630	I605-E607 WeakPolarHBondContact CG2-OE2 3.25Å; I605-E607 PolarHBondContact O-N 2.68Å; I605-T608 HydrophobicContact CG2-CG2 3.88Å; I605-T608 PolarHBondContact O-N 3.05Å; I605-T608 PolarHBondContact O-OG1 3.2Å; I605-F622 HydrophobicContact CD1-CB 4.41Å; I605-F622 PolarHBondContact N-O 3.37Å; I605-K624 HydrophobicContact CG1-CB 4.33Å; I605-K630 HydrophobicContact CD1-CD 3.84Å; I605-K630 HydrophobicContact CD1-CG 3.78Å
606	P	92.2	Very high	91.2	Very high	16 Å²	16	57.3 Å²	57.3	10%	0.104	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.2	-42.8	-170.3	-24.5	36.5	0	0	0	113.4	Q574 L577 I604 T608 A609	Q574-P606 VanDerWaalsContact CG-O 3.3Å; Q574-P606 WeakPolarHBondContact CG-O 3.35Å; L577-P606 HydrophobicContact CB-CB 3.84Å; L577-P606 HydrophobicContact CB-CG 4.07Å; I604-P606 WeakPolarHBondContact O-CD 3.43Å; P606-T608 PolarHBondContact O-N 2.81Å; P606-T608 VanDerWaalsContact O-N 3.15Å; P606-A609 WeakPolarHBondContact O-CB 3.38Å; P606-A609 PolarHBondContact O-N 3.15Å; P606-A609 VanDerWaalsContact O-N 3.1Å
607	E	92.3	Very high	90.9	Very high	137 Å²	137	57.7 Å²	57.7	64%	0.64	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-67.2	-23.3	-170.6	-54	74.7	-159.9	0	0	112.8	Q574 I605	Q574-E607 PolarHBondContact NE2-O 3.47Å; I605-E607 WeakPolarHBondContact CG2-OE2 3.25Å; I605-E607 PolarHBondContact O-N 2.68Å
608	T	92.5	Very high	90.9	Very high	39 Å²	39	57.6 Å²	57.6	24%	0.239	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-93.1	-8.9	-179.1	61.5	0	0	0	0	113.4	I605 P606 F622	I605-T608 HydrophobicContact CG2-CG2 3.88Å; I605-T608 PolarHBondContact O-N 3.05Å; I605-T608 PolarHBondContact O-OG1 3.2Å; P606-T608 PolarHBondContact O-N 2.81Å; P606-T608 VanDerWaalsContact O-N 3.15Å; T608-F622 WeakPolarHBondContact OG1-CB 3.43Å; T608-F622 WeakPolarHBondContact OG1-CD2 3.39Å
609	A	93.9	Very high	91.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.			trans	-71.3	130.9	-178.4	0	0	0	0	0	110.9	L573 Q574 L577 P606 Q620 L621	L573-A609 HydrophobicContact CD2-CB 4.06Å; L573-A609 HydrophobicContact CG-CB 4.2Å; Q574-A609 PolarHBondContact NE2-O 2.9Å; L577-A609 HydrophobicContact CD1-CB 3.51Å; P606-A609 WeakPolarHBondContact O-CB 3.38Å; P606-A609 PolarHBondContact O-N 3.15Å; P606-A609 VanDerWaalsContact O-N 3.1Å; A609-Q620 WeakPolarHBondContact CA-O 3.44Å; A609-L621 HydrophobicContact CB-CD2 3.99Å
610	T	95.3	Very high	91.2	Very high	46 Å²	46	50.9 Å²	50.9	28%	0.282	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.2	179.5	67.6	0	0	0	0	112	Q620	T610-Q620 PolarHBondContact N-O 2.96Å; T610-Q620 VanDerWaalsContact N-O 3.09Å; T610-Q620 PolarHBondContact O-N 3.44Å; T610-Q620 PolarHBondContact OG1-OE1 2.94Å
611	L	93.6	Very high	91.3	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.4	174.4	-60.5	168.9	0	0	0	111.1	M556 V559 R566 K569 N570 L573 M617 P618 A619	M556-L611 HydrophobicContact CE-CD2 4.15Å; V559-L611 HydrophobicContact CG1-CD1 4.01Å; R566-L611 HydrophobicContact CG-CB 4.36Å; R566-L611 PolarHBondContact NH1-O 3.42Å; K569-L611 HydrophobicContact CB-CD1 3.57Å; N570-L611 VanDerWaalsContact OD1-CB 3.23Å; N570-L611 WeakPolarHBondContact OD1-CB 3.32Å; N570-L611 VanDerWaalsContact OD1-CG 3.23Å; N570-L611 WeakPolarHBondContact OD1-CG 3.46Å; N570-L611 PolarHBondContact OD1-N 3.27Å; L573-L611 HydrophobicContact CD2-CD2 3.89Å; L573-L611 HydrophobicContact CD2-CG 4Å; L611-M617 WeakPolarHBondContact CD2-O 3.36Å; L611-P618 WeakPolarHBondContact CA-O 3.47Å; L611-A619 HydrophobicContact CD2-CB 3.99Å
612	F	90.8	Very high	91.3	Very high	67 Å²	67	48.9 Å²	48.9	29%	0.294	26%	0.255	S	S	.	.			trans	-67.7	154.9	174	-74.5	-85.4	0	0	0	112.1	S614 P618 Q620 I634 F684	F612-S614 VanDerWaalsContact C-N 3.26Å; F612-S614 PolarHBondContact O-N 2.7Å; F612-P618 HydrophobicContact CB-CG 3.95Å; F612-P618 HydrophobicContact CD2-CB 4.46Å; F612-P618 HydrophobicContact CD2-CG 3.97Å; F612-P618 WeakPolarHBondContact CD2-O 3.33Å; F612-P618 HydrophobicContact CG-CG 4.3Å; F612-P618 PolarHBondContact N-O 3.03Å; F612-Q620 HydrophobicContact CD2-CB 4.42Å; F612-Q620 HydrophobicContact CE2-CB 3.66Å; F612-Q620 HydrophobicContact CE2-CG 4.3Å; F612-Q620 HydrophobicContact CZ-CB 4.09Å; F612-Q620 HydrophobicContact CZ-CG 4.32Å; F612-I634 HydrophobicContact CD2-CG2 4.44Å; F612-I634 HydrophobicContact CE2-CD1 4.09Å; F612-I634 HydrophobicContact CE2-CG1 3.86Å; F612-I634 HydrophobicContact CE2-CG2 4.04Å; F612-I634 HydrophobicContact CZ-CD1 4.08Å; F612-I634 HydrophobicContact CZ-CG1 4.15Å; F612-F684 HydrophobicContact CE1-CE2 4.28Å; F612-F684 AromaticContact CZ-CD2 3.99Å; F612-F684 HydrophobicContact CZ-CD2 3.99Å; F612-F684 AromaticContact CZ-CE2 3.81Å; F612-F684 HydrophobicContact CZ-CE2 3.81Å
613	K	83.9	Confident	91.4	Very high	199 Å²	199	43.5 Å²	43.5	87%	0.865	24%	0.235	S	C	*	.	S	Bend	trans	-82.5	70.2	173.6	-169.7	-172.2	175.8	-169.7	0	109.7
614	S	81.8	Confident	91.6	Very high	67 Å²	67	48.1 Å²	48.1	47%	0.469	26%	0.255	S	S	.	.	S	Bend	trans	-136.1	162.3	177.5	172.6	0	0	0	0	110.3	F612 L616 M617	F612-S614 VanDerWaalsContact C-N 3.26Å; F612-S614 PolarHBondContact O-N 2.7Å; S614-L616 VanDerWaalsContact C-N 3.31Å; S614-L616 PolarHBondContact O-N 3.13Å; S614-M617 WeakPolarHBondContact O-CG 3.4Å; S614-M617 PolarHBondContact O-N 3.35Å
615	A	79.1	Confident	91.6	Very high	99 Å²	99	48.7 Å²	48.7	82%	0.818	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-43	-177.5	0	0	0	0	0	112.4	M617	A615-M617 VanDerWaalsContact C-N 3.34Å
616	L	83.8	Confident	91.5	Very high	76 Å²	76	51.9 Å²	51.9	40%	0.398	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.2	178.7	-62.1	-180	0	0	0	113.7	S614 D639	S614-L616 VanDerWaalsContact C-N 3.31Å; S614-L616 PolarHBondContact O-N 3.13Å; L616-D639 HydrophobicContact CD1-CB 3.8Å
617	M	89.1	Confident	91.4	Very high	45 Å²	45	57.8 Å²	57.8	22%	0.222	30%	0.303	C	S	.	.			trans	41.1	65.2	-179.6	-65.5	177.4	-66.9	0	0	113.4	K569 L611 S614 A615	K569-M617 HydrophobicContact CD-CE 3.9Å; K569-M617 HydrophobicContact CD-SD 3.91Å; K569-M617 VanDerWaalsContact NZ-CE 3.35Å; L611-M617 WeakPolarHBondContact CD2-O 3.36Å; S614-M617 WeakPolarHBondContact O-CG 3.4Å; S614-M617 PolarHBondContact O-N 3.35Å; A615-M617 VanDerWaalsContact C-N 3.34Å
618	P	93.4	Very high	91.1	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.084	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64.9	153.8	176.8	27.6	-32.1	0	0	0	111.8	L611 F612 I634 K636	L611-P618 WeakPolarHBondContact CA-O 3.47Å; F612-P618 HydrophobicContact CB-CG 3.95Å; F612-P618 HydrophobicContact CD2-CB 4.46Å; F612-P618 HydrophobicContact CD2-CG 3.97Å; F612-P618 WeakPolarHBondContact CD2-O 3.33Å; F612-P618 HydrophobicContact CG-CG 4.3Å; F612-P618 PolarHBondContact N-O 3.03Å; P618-I634 HydrophobicContact CB-CG2 3.92Å; P618-K636 HydrophobicContact CB-CB 4.49Å; P618-K636 HydrophobicContact CB-CG 3.71Å; P618-K636 HydrophobicContact CG-CG 4.46Å
619	A	95.8	Very high	91.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.1	-177.1	0	0	0	0	0	111.1	M556 L573 L611 L621 I634 F635	M556-A619 HydrophobicContact CE-CB 3.8Å; M556-A619 HydrophobicContact SD-CB 3.89Å; L573-A619 HydrophobicContact CD2-CB 4.37Å; L611-A619 HydrophobicContact CD2-CB 3.99Å; A619-L621 HydrophobicContact CB-CD2 4.05Å; A619-L621 HydrophobicContact CB-CG 4.17Å; A619-I634 CarbonylContact O-C 3.56Å; A619-I634 WeakPolarHBondContact O-CA 3.42Å; A619-F635 PolarHBondContact N-O 3.46Å; A619-F635 PolarHBondContact O-N 2.95Å
620	Q	96.4	Very high	91.1	Very high	26 Å²	26	59.8 Å²	59.8	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.3	162.7	-167.3	-178.5	19.8	0	0	108.6	A609 T610 F612 F622 F684	A609-Q620 WeakPolarHBondContact CA-O 3.44Å; T610-Q620 PolarHBondContact N-O 2.96Å; T610-Q620 VanDerWaalsContact N-O 3.09Å; T610-Q620 PolarHBondContact O-N 3.44Å; T610-Q620 PolarHBondContact OG1-OE1 2.94Å; F612-Q620 HydrophobicContact CD2-CB 4.42Å; F612-Q620 HydrophobicContact CE2-CB 3.66Å; F612-Q620 HydrophobicContact CE2-CG 4.3Å; F612-Q620 HydrophobicContact CZ-CB 4.09Å; F612-Q620 HydrophobicContact CZ-CG 4.32Å; Q620-F622 HydrophobicContact CG-CE2 4.17Å; Q620-F684 HydrophobicContact CG-CD2 4.47Å; Q620-F684 VanDerWaalsContact NE2-CE2 3.34Å
621	L	96.3	Very high	91.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.3	-177	-56.2	175.6	0	0	0	109.2	L552 L577 I604 A609 A619 F623 P632 V633 F635	L552-L621 HydrophobicContact CD1-CD1 3.94Å; L552-L621 HydrophobicContact CD2-CD1 4.04Å; L577-L621 HydrophobicContact CD1-CD2 4.24Å; I604-L621 HydrophobicContact CD1-CD1 4.11Å; I604-L621 HydrophobicContact CG2-CB 4.27Å; I604-L621 HydrophobicContact CG2-CD2 4.19Å; A609-L621 HydrophobicContact CB-CD2 3.99Å; A619-L621 HydrophobicContact CB-CD2 4.05Å; A619-L621 HydrophobicContact CB-CG 4.17Å; L621-F623 HydrophobicContact CB-CD2 4.5Å; L621-F623 HydrophobicContact CB-CE2 3.97Å; L621-P632 WeakPolarHBondContact O-CA 3.36Å; L621-V633 PolarHBondContact N-O 2.67Å; L621-V633 PolarHBondContact O-N 2.68Å; L621-F635 HydrophobicContact CD1-CB 3.92Å
622	F	95.7	Very high	91.2	Very high	48 Å²	48	60.7 Å²	60.7	21%	0.211	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.9	171.3	-67.3	-101.1	0	0	0	109.1	I605 T608 Q620 K630 P632	I605-F622 HydrophobicContact CD1-CB 4.41Å; I605-F622 PolarHBondContact N-O 3.37Å; T608-F622 WeakPolarHBondContact OG1-CB 3.43Å; T608-F622 WeakPolarHBondContact OG1-CD2 3.39Å; Q620-F622 HydrophobicContact CG-CE2 4.17Å; F622-K630 HydrophobicContact CD1-CB 4.4Å; F622-P632 HydrophobicContact CD1-CB 3.89Å; F622-P632 HydrophobicContact CE1-CB 3.7Å; F622-P632 HydrophobicContact CZ-CB 4.27Å
623	F	95.2	Very high	91.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.5	177.9	-72.5	-93.9	0	0	0	110.7	F548 L593 I601 G603 I604 L621 K630 Y631 V633 F681	F548-F623 AromaticContact CE1-CE1 3.8Å; F548-F623 HydrophobicContact CE1-CE1 3.8Å; F548-F623 HydrophobicContact CE1-CZ 4.23Å; F548-F623 AromaticContact CZ-CE1 3.55Å; F548-F623 HydrophobicContact CZ-CE1 3.55Å; F548-F623 HydrophobicContact CZ-CZ 4.23Å; L593-F623 HydrophobicContact CD1-CD1 4.37Å; L593-F623 HydrophobicContact CD1-CD2 4.49Å; L593-F623 HydrophobicContact CD1-CE1 4.16Å; L593-F623 HydrophobicContact CD1-CE2 4.37Å; L593-F623 HydrophobicContact CD1-CG 4.49Å; L593-F623 HydrophobicContact CD1-CZ 4.18Å; I601-F623 HydrophobicContact CB-CB 4.39Å; I601-F623 HydrophobicContact CB-CD1 4.15Å; I601-F623 HydrophobicContact CD1-CD1 3.39Å; I601-F623 HydrophobicContact CD1-CE1 3.52Å; I601-F623 HydrophobicContact CD1-CG 4.44Å; I601-F623 HydrophobicContact CG1-CD1 4.35Å; I601-F623 HydrophobicContact CG2-CB 3.74Å; I601-F623 HydrophobicContact CG2-CD1 4.07Å; I601-F623 HydrophobicContact CG2-CG 4.19Å; G603-F623 WeakPolarHBondContact O-CA 3.49Å; I604-F623 HydrophobicContact CD1-CE1 4.22Å; I604-F623 HydrophobicContact CD1-CZ 4.27Å; I604-F623 HydrophobicContact CG1-CD1 3.96Å; I604-F623 HydrophobicContact CG1-CE1 3.66Å; I604-F623 HydrophobicContact CG1-CZ 4.01Å; L621-F623 HydrophobicContact CB-CD2 4.5Å; L621-F623 HydrophobicContact CB-CE2 3.97Å; F623-K630 CarbonylContact O-C 3.54Å; F623-K630 WeakPolarHBondContact O-CA 3.3Å; F623-Y631 PolarHBondContact N-O 3.4Å; F623-Y631 PolarHBondContact O-N 2.74Å; F623-V633 HydrophobicContact CD2-CB 4.02Å; F623-V633 HydrophobicContact CD2-CG2 3.66Å; F623-V633 HydrophobicContact CE2-CB 3.73Å; F623-V633 HydrophobicContact CE2-CG1 4.33Å; F623-V633 HydrophobicContact CE2-CG2 3.78Å; F623-F681 HydrophobicContact CZ-CE1 4.35Å
624	K	94.5	Very high	92.1	Very high	98 Å²	98	49.4 Å²	49.4	43%	0.426	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.4	171.4	-174.3	179.1	-179	-177.8	0	108.9	I601 R602 G603 I605	I601-K624 CarbonylContact C-O 3.49Å; I601-K624 WeakPolarHBondContact CA-O 3.4Å; R602-K624 PolarHBondContact N-O 3.07Å; G603-K624 PolarHBondContact O-N 3.49Å; I605-K624 HydrophobicContact CG1-CB 4.33Å
625	T	94.1	Very high	92.9	Very high	13 Å²	13	46.2 Å²	46.2	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	165.7	-178.3	51	0	0	0	0	112	V599 K600 D627 G628 G629	V599-T625 HydrophobicContact CG1-CG2 3.66Å; K600-T625 CarbonylContact O-C 3.5Å; K600-T625 WeakPolarHBondContact O-CA 3.26Å; T625-D627 WeakPolarHBondContact CB-OD1 3.38Å; T625-D627 PolarHBondContact O-N 3.05Å; T625-D627 PolarHBondContact OG1-OD1 3.16Å; T625-G628 PolarHBondContact O-N 2.89Å; T625-G629 PolarHBondContact N-O 3.03Å; T625-G629 VanDerWaalsContact N-O 3.15Å; T625-G629 WeakPolarHBondContact OG1-CA 3.46Å; T625-G629 PolarHBondContact OG1-N 2.91Å; T625-G629 PolarHBondContact OG1-O 2.78Å; T625-G629 VanDerWaalsContact OG1-O 3.1Å
626	E	91.7	Very high	93.6	Very high	98 Å²	98	43 Å²	43	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.1	-180	-174.7	172.9	-155.8	0	0	113.3	L590 K600 G628	L590-E626 HydrophobicContact CD1-CB 4.02Å; L590-E626 HydrophobicContact CD1-CG 4.23Å; L590-E626 HydrophobicContact CD2-CG 4.18Å; L590-E626 WeakPolarHBondContact CD2-OE1 3.49Å; K600-E626 HydrophobicContact CB-CB 4.33Å; K600-E626 WeakPolarHBondContact CD-OE2 3.5Å; K600-E626 IonicContact NZ-OE2 2.67Å; K600-E626 PolarHBondContact O-N 3.31Å; E626-G628 VanDerWaalsContact C-N 3.27Å; E626-G628 PolarHBondContact O-N 3.2Å
627	D	89.9	Confident	94.1	Very high	139 Å²	139	40.5 Å²	40.5	74%	0.743	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	2.3	179.9	64.4	-23	0	0	0	113.9	T625 G629	T625-D627 WeakPolarHBondContact CB-OD1 3.38Å; T625-D627 PolarHBondContact O-N 3.05Å; T625-D627 PolarHBondContact OG1-OD1 3.16Å; D627-G629 VanDerWaalsContact C-N 3.29Å; D627-G629 PolarHBondContact OD1-N 3.06Å
628	G	86.4	Confident	94.1	Very high	56 Å²	56	40.5 Å²	40.5	58%	0.577	23%	0.228	S	C	*	.	S	Bend	trans	82.1	4	-177.9	0	0	0	0	0	114.6	T625 E626	T625-G628 PolarHBondContact O-N 2.89Å; E626-G628 VanDerWaalsContact C-N 3.27Å; E626-G628 PolarHBondContact O-N 3.2Å
629	G	92.2	Very high	93.9	Very high	27 Å²	27	42.3 Å²	42.3	28%	0.278	24%	0.237	S	C	.	.			trans	-70	-177.5	170.8	0	0	0	0	0	114	T625 D627	T625-G629 PolarHBondContact N-O 3.03Å; T625-G629 VanDerWaalsContact N-O 3.15Å; T625-G629 WeakPolarHBondContact OG1-CA 3.46Å; T625-G629 PolarHBondContact OG1-N 2.91Å; T625-G629 PolarHBondContact OG1-O 2.78Å; T625-G629 VanDerWaalsContact OG1-O 3.1Å; D627-G629 VanDerWaalsContact C-N 3.29Å; D627-G629 PolarHBondContact OD1-N 3.06Å
630	K	94.1	Very high	93.6	Very high	136 Å²	136	43.6 Å²	43.6	59%	0.591	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.1	176.6	-58.9	-175.4	-176.2	-179	0	109.9	I605 F622 F623	I605-K630 HydrophobicContact CD1-CD 3.84Å; I605-K630 HydrophobicContact CD1-CG 3.78Å; F622-K630 HydrophobicContact CD1-CB 4.4Å; F623-K630 CarbonylContact O-C 3.54Å; F623-K630 WeakPolarHBondContact O-CA 3.3Å
631	Y	95.3	Very high	93.5	Very high	34 Å²	34	42.4 Å²	42.4	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.5	176.6	-166.8	-85.8	0	0	0	110.4	L593 E596 V599 F623 V633 Q683	L593-Y631 HydrophobicContact CD2-CD1 3.8Å; L593-Y631 HydrophobicContact CD2-CE1 3.74Å; E596-Y631 VanDerWaalsContact OE2-CZ 3.26Å; E596-Y631 PolarHBondContact OE2-OH 2.71Å; V599-Y631 HydrophobicContact CG1-CD2 4.17Å; V599-Y631 HydrophobicContact CG1-CG 4.2Å; V599-Y631 HydrophobicContact CG2-CD2 4.13Å; V599-Y631 HydrophobicContact CG2-CE2 3.98Å; F623-Y631 PolarHBondContact N-O 3.4Å; F623-Y631 PolarHBondContact O-N 2.74Å; Y631-V633 HydrophobicContact CD1-CG2 3.53Å; Y631-V633 HydrophobicContact CE1-CG2 3.7Å; Y631-Q683 PolarHBondContact OH-NE2 2.75Å
632	P	96.2	Very high	93.3	Very high	34 Å²	34	43.3 Å²	43.3	22%	0.221	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.1	-176.5	34.2	-35.2	0	0	0	112	L621 F622 F684	L621-P632 WeakPolarHBondContact O-CA 3.36Å; F622-P632 HydrophobicContact CD1-CB 3.89Å; F622-P632 HydrophobicContact CE1-CB 3.7Å; F622-P632 HydrophobicContact CZ-CB 4.27Å; P632-F684 HydrophobicContact CB-CB 3.9Å; P632-F684 HydrophobicContact CB-CD1 3.91Å; P632-F684 HydrophobicContact CB-CG 4.24Å; P632-F684 HydrophobicContact CG-CB 4.23Å; P632-F684 HydrophobicContact CG-CD1 4.07Å; P632-F684 PolarHBondContact O-N 3.33Å
633	V	97.2	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.4	-178.4	-177.3	0	0	0	0	109.5	L593 L595 L621 F623 Y631 F681 M682	L593-V633 HydrophobicContact CD2-CG2 4.15Å; L595-V633 HydrophobicContact CD2-CG1 4.07Å; L595-V633 HydrophobicContact CD2-CG2 4.44Å; L621-V633 PolarHBondContact N-O 2.67Å; L621-V633 PolarHBondContact O-N 2.68Å; F623-V633 HydrophobicContact CD2-CB 4.02Å; F623-V633 HydrophobicContact CD2-CG2 3.66Å; F623-V633 HydrophobicContact CE2-CB 3.73Å; F623-V633 HydrophobicContact CE2-CG1 4.33Å; F623-V633 HydrophobicContact CE2-CG2 3.78Å; Y631-V633 HydrophobicContact CD1-CG2 3.53Å; Y631-V633 HydrophobicContact CE1-CG2 3.7Å; V633-F681 HydrophobicContact CG1-CB 4.05Å; V633-F681 HydrophobicContact CG1-CD1 3.65Å; V633-F681 HydrophobicContact CG1-CG 4.31Å; V633-M682 WeakPolarHBondContact CG1-O 3.48Å
634	I	97.1	Very high	93	Very high	28 Å²	28	41.7 Å²	41.7	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.4	168.8	-52	173.5	0	0	0	108.1	F612 P618 A619 K636 F681 M682 F684	F612-I634 HydrophobicContact CD2-CG2 4.44Å; F612-I634 HydrophobicContact CE2-CD1 4.09Å; F612-I634 HydrophobicContact CE2-CG1 3.86Å; F612-I634 HydrophobicContact CE2-CG2 4.04Å; F612-I634 HydrophobicContact CZ-CD1 4.08Å; F612-I634 HydrophobicContact CZ-CG1 4.15Å; P618-I634 HydrophobicContact CB-CG2 3.92Å; A619-I634 CarbonylContact O-C 3.56Å; A619-I634 WeakPolarHBondContact O-CA 3.42Å; I634-K636 HydrophobicContact CG2-CG 4.39Å; I634-F681 CarbonylContact O-C 3.36Å; I634-F681 WeakPolarHBondContact O-CA 3.45Å; I634-M682 HydrophobicContact CB-CB 4.2Å; I634-M682 PolarHBondContact N-O 3Å; I634-M682 PolarHBondContact O-N 3.28Å; I634-F684 HydrophobicContact CD1-CD2 4Å; I634-F684 HydrophobicContact CG1-CB 4.13Å; I634-F684 HydrophobicContact CG1-CD2 3.97Å
635	F	96.9	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.2	169.4	-175.7	-105.4	0	0	0	109.9	L552 V553 M556 A619 L621 H637 H679 G680 F681	L552-F635 HydrophobicContact CD2-CB 4.33Å; L552-F635 HydrophobicContact CD2-CD1 3.94Å; L552-F635 HydrophobicContact CD2-CD2 3.71Å; L552-F635 HydrophobicContact CD2-CE1 4.13Å; L552-F635 HydrophobicContact CD2-CE2 3.9Å; L552-F635 HydrophobicContact CD2-CG 3.71Å; L552-F635 HydrophobicContact CD2-CZ 4.1Å; L552-F635 HydrophobicContact CG-CD1 4Å; L552-F635 HydrophobicContact CG-CE1 3.92Å; L552-F635 HydrophobicContact CG-CE2 4.46Å; L552-F635 HydrophobicContact CG-CG 4.3Å; L552-F635 HydrophobicContact CG-CZ 4.16Å; V553-F635 HydrophobicContact CG2-CZ 3.83Å; M556-F635 HydrophobicContact CB-CE1 4.31Å; M556-F635 HydrophobicContact CG-CD1 3.7Å; M556-F635 HydrophobicContact CG-CE1 3.67Å; A619-F635 PolarHBondContact N-O 3.46Å; A619-F635 PolarHBondContact O-N 2.95Å; L621-F635 HydrophobicContact CD1-CB 3.92Å; F635-H637 HydrophobicContact CE1-CB 4.22Å; F635-H679 HydrophobicContact CE2-CB 4.4Å; F635-H679 HydrophobicContact CZ-CB 4.01Å; F635-G680 WeakPolarHBondContact CD2-O 3.44Å; F635-F681 HydrophobicContact CB-CD1 4.36Å; F635-F681 HydrophobicContact CB-CE1 4.38Å; F635-F681 AromaticContact CD2-CD1 3.66Å; F635-F681 HydrophobicContact CD2-CD1 3.66Å; F635-F681 HydrophobicContact CD2-CD2 4.4Å; F635-F681 AromaticContact CD2-CE1 3.42Å; F635-F681 HydrophobicContact CD2-CE1 3.42Å; F635-F681 VanDerWaalsContact CD2-CE1 3.42Å; F635-F681 HydrophobicContact CD2-CE2 4.18Å; F635-F681 HydrophobicContact CD2-CG 4.17Å; F635-F681 AromaticContact CD2-CZ 3.7Å; F635-F681 HydrophobicContact CD2-CZ 3.7Å; F635-F681 HydrophobicContact CE2-CE1 4.06Å; F635-F681 HydrophobicContact CE2-CE2 4.11Å; F635-F681 AromaticContact CE2-CZ 3.84Å; F635-F681 HydrophobicContact CE2-CZ 3.84Å; F635-F681 HydrophobicContact CG-CD1 4.48Å; F635-F681 HydrophobicContact CG-CE1 4.24Å
636	K	95	Very high	93	Very high	33 Å²	33	36.9 Å²	36.9	14%	0.143	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.9	176.8	-74	-175.8	159.6	-164.1	0	109.9	P618 I634 D639 L641 H679 G680 M682	P618-K636 HydrophobicContact CB-CB 4.49Å; P618-K636 HydrophobicContact CB-CG 3.71Å; P618-K636 HydrophobicContact CG-CG 4.46Å; I634-K636 HydrophobicContact CG2-CG 4.39Å; K636-D639 HydrophobicContact CD-CB 4.49Å; K636-D639 IonicContact NZ-OD2 2.78Å; K636-D639 PolarHBondContact NZ-OD2 2.69Å; K636-L641 HydrophobicContact CB-CD1 4.23Å; K636-L641 HydrophobicContact CD-CD1 4.24Å; K636-L641 HydrophobicContact CD-CD2 3.54Å; K636-L641 HydrophobicContact CD-CG 4.42Å; K636-H679 WeakPolarHBondContact O-CA 3.38Å; K636-H679 WeakPolarHBondContact O-CB 3.32Å; K636-G680 PolarHBondContact N-O 3.48Å; K636-G680 PolarHBondContact O-N 3.05Å; K636-G680 VanDerWaalsContact O-N 3.13Å; K636-M682 HydrophobicContact CD-SD 3.57Å; K636-M682 VanDerWaalsContact CD-SD 3.57Å; K636-M682 VanDerWaalsContact CE-SD 3.54Å; K636-M682 HydrophobicContact CG-SD 4.19Å
637	H	94.1	Very high	93.1	Very high	22 Å²	22	32.2 Å²	32.2	10%	0.102	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.9	173.2	175.6	-86.7	0	0	0	110.2	M556 K557 Q560 F635 K678 H679	M556-H637 HydrophobicContact CB-CB 4.34Å; K557-H637 VanDerWaalsContact CE-NE2 3.3Å; K557-H637 WeakPolarHBondContact CE-NE2 3.47Å; Q560-H637 PolarHBondContact NE2-ND1 3.46Å; Q560-H637 PolarHBondContact NE2-O 3.31Å; Q560-H637 VanDerWaalsContact NE2-O 3.12Å; Q560-H637 PolarHBondContact OE1-CE1 2.93Å; Q560-H637 PolarHBondContact OE1-ND1 3.09Å; F635-H637 HydrophobicContact CE1-CB 4.22Å; H637-K678 CarbonylContact C-O 3.49Å; H637-H679 HydrophobicContact CB-CB 4.46Å
638	G	88.8	Confident	93.4	Very high	46 Å²	46	25.8 Å²	25.8	47%	0.474	16%	0.157	S	C	.	.	S	Bend	trans	103	12	-173.1	0	0	0	0	0	114.8	K678	G638-K678 WeakPolarHBondContact CA-O 3.35Å; G638-K678 PolarHBondContact N-O 2.86Å
639	D	88.3	Confident	93.8	Very high	50 Å²	50	24 Å²	24	27%	0.267	13%	0.134	S	C	.	.	S	Bend	trans	-135.4	143.1	-173.9	-158.7	10.3	0	0	0	110.2	L616 K636 L641 K678 H679	L616-D639 HydrophobicContact CD1-CB 3.8Å; K636-D639 HydrophobicContact CD-CB 4.49Å; K636-D639 IonicContact NZ-OD2 2.78Å; K636-D639 PolarHBondContact NZ-OD2 2.69Å; D639-L641 HydrophobicContact CB-CD2 4.48Å; D639-K678 PolarHBondContact N-O 3.49Å; D639-K678 VanDerWaalsContact N-O 3.17Å; D639-K678 CarbonylContact O-C 3.21Å; D639-K678 WeakPolarHBondContact O-CA 3.49Å; D639-H679 PolarHBondContact O-N 3.3Å
640	D	90.6	Very high	94	Very high	28 Å²	28	22.8 Å²	22.8	15%	0.15	12%	0.121	C	C	.	.			trans	-94.4	106.6	176.9	-173.4	-10.1	0	0	0	110.1	R642 T677	D640-R642 VanDerWaalsContact OD1-CB 3.31Å; D640-R642 WeakPolarHBondContact OD1-CB 3.32Å; D640-R642 VanDerWaalsContact OD1-CG 3.26Å; D640-R642 WeakPolarHBondContact OD1-CG 3.43Å; D640-R642 PolarHBondContact OD1-N 2.95Å; D640-R642 IonicContact OD1-NE 2.72Å; D640-R642 PolarHBondContact OD1-NE 3.44Å; D640-R642 IonicContact OD2-CZ 3.97Å; D640-R642 VanDerWaalsContact OD2-CZ 3.3Å; D640-R642 IonicContact OD2-NE 3.45Å; D640-R642 PolarHBondContact OD2-NE 3.07Å; D640-R642 IonicContact OD2-NH2 2.75Å; D640-R642 PolarHBondContact OD2-NH2 3.29Å; D640-T677 WeakPolarHBondContact CB-O 3.4Å
641	L	93.1	Very high	94.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.9	-176.4	-58.1	-177.3	0	0	0	114.4	K636 D639 Q643 D644 Q645 V672 A674 M682	K636-L641 HydrophobicContact CB-CD1 4.23Å; K636-L641 HydrophobicContact CD-CD1 4.24Å; K636-L641 HydrophobicContact CD-CD2 3.54Å; K636-L641 HydrophobicContact CD-CG 4.42Å; D639-L641 HydrophobicContact CB-CD2 4.48Å; L641-Q643 PolarHBondContact O-N 2.54Å; L641-D644 PolarHBondContact O-N 3.36Å; L641-Q645 WeakPolarHBondContact O-CB 3.17Å; L641-Q645 PolarHBondContact O-N 2.77Å; L641-V672 HydrophobicContact CB-CG1 3.99Å; L641-V672 HydrophobicContact CD1-CG1 4.31Å; L641-A674 HydrophobicContact CB-CB 4.29Å; L641-M682 HydrophobicContact CD1-CG 4.01Å; L641-M682 HydrophobicContact CD1-SD 4.48Å; L641-M682 HydrophobicContact CD2-SD 4.42Å
642	R	92.8	Very high	94.1	Very high	20 Å²	20	16.2 Å²	16.2	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-34.6	178	-69.7	-178.7	-69.7	-178.3	0.3	111.9	V499 D503 D640 L646 A674 I828	V499-R642 HydrophobicContact CG1-CG 4.16Å; D503-R642 IonicContact OD2-CZ 3.86Å; D503-R642 IonicContact OD2-NH1 3.56Å; D503-R642 PolarHBondContact OD2-NH1 3.26Å; D503-R642 IonicContact OD2-NH2 2.91Å; D640-R642 VanDerWaalsContact OD1-CB 3.31Å; D640-R642 WeakPolarHBondContact OD1-CB 3.32Å; D640-R642 VanDerWaalsContact OD1-CG 3.26Å; D640-R642 WeakPolarHBondContact OD1-CG 3.43Å; D640-R642 PolarHBondContact OD1-N 2.95Å; D640-R642 IonicContact OD1-NE 2.72Å; D640-R642 PolarHBondContact OD1-NE 3.44Å; D640-R642 IonicContact OD2-CZ 3.97Å; D640-R642 VanDerWaalsContact OD2-CZ 3.3Å; D640-R642 IonicContact OD2-NE 3.45Å; D640-R642 PolarHBondContact OD2-NE 3.07Å; D640-R642 IonicContact OD2-NH2 2.75Å; D640-R642 PolarHBondContact OD2-NH2 3.29Å; R642-L646 WeakPolarHBondContact O-CB 3.25Å; R642-L646 PolarHBondContact O-N 2.92Å; R642-A674 HydrophobicContact CG-CB 3.98Å; R642-I828 HydrophobicContact CB-CG1 4.23Å
643	Q	91.7	Very high	94.1	Very high	7 Å²	7	14.8 Å²	14.8	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-55.1	177.5	-174.1	165.7	-47.9	0	0	111.7	L641 Q645 L646 I647 F762 G763 I765 I828 D830	L641-Q643 PolarHBondContact O-N 2.54Å; Q643-Q645 VanDerWaalsContact C-N 3.27Å; Q643-Q645 PolarHBondContact O-N 3.45Å; Q643-L646 PolarHBondContact O-N 3.37Å; Q643-I647 WeakPolarHBondContact O-CG1 3.42Å; Q643-I647 PolarHBondContact O-N 3.18Å; Q643-F762 PolarHBondContact NE2-O 3.26Å; Q643-G763 PolarHBondContact NE2-O 2.94Å; Q643-I765 HydrophobicContact CG-CD1 3.99Å; Q643-I828 HydrophobicContact CB-CG2 3.78Å; Q643-I828 HydrophobicContact CG-CG2 4.17Å; Q643-D830 PolarHBondContact NE2-OD2 2.97Å; Q643-D830 VanDerWaalsContact OE1-N 3.17Å
644	D	93.4	Very high	94.1	Very high	6 Å²	6	14.8 Å²	14.8	3%	0.032	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-41	175.5	-66.8	-101.8	0	0	0	111.9	L641 I647 L648 V672 F762	L641-D644 PolarHBondContact O-N 3.36Å; D644-I647 PolarHBondContact O-N 3.36Å; D644-L648 WeakPolarHBondContact O-CB 3.43Å; D644-L648 WeakPolarHBondContact O-CD1 3.13Å; D644-L648 WeakPolarHBondContact O-CG 3.24Å; D644-L648 PolarHBondContact O-N 3.41Å; D644-V672 HydrophobicContact CB-CG1 4.37Å; D644-F762 PolarHBondContact OD1-N 2.75Å
645	Q	94.6	Very high	94.1	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-48.4	177.5	-177	179.1	-50.5	0	0	111.7	L641 Q643 L648 Q649 V672	L641-Q645 WeakPolarHBondContact O-CB 3.17Å; L641-Q645 PolarHBondContact O-N 2.77Å; Q643-Q645 VanDerWaalsContact C-N 3.27Å; Q643-Q645 PolarHBondContact O-N 3.45Å; Q645-L648 PolarHBondContact O-N 3.33Å; Q645-Q649 VanDerWaalsContact O-CB 3.27Å; Q645-Q649 WeakPolarHBondContact O-CB 3.47Å; Q645-Q649 PolarHBondContact O-N 2.97Å; Q645-V672 HydrophobicContact CB-CB 4.44Å; Q645-V672 HydrophobicContact CB-CG1 4.06Å
646	L	93.9	Very high	94	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.5	-48.4	176.6	173.3	61.4	0	0	0	110.8	L397 Q398 R642 Q643 L648 Q649 I650 F820 M823 I828 I831	L397-L646 HydrophobicContact CD2-CB 4.39Å; L397-L646 HydrophobicContact CD2-CD1 4.37Å; Q398-L646 VanDerWaalsContact NE2-CD1 3.33Å; R642-L646 WeakPolarHBondContact O-CB 3.25Å; R642-L646 PolarHBondContact O-N 2.92Å; Q643-L646 PolarHBondContact O-N 3.37Å; L646-L648 PolarHBondContact O-N 2.98Å; L646-Q649 WeakPolarHBondContact O-CB 3.44Å; L646-Q649 PolarHBondContact O-N 2.82Å; L646-I650 HydrophobicContact CD1-CG1 4.15Å; L646-I650 WeakPolarHBondContact O-CG1 3.47Å; L646-I650 PolarHBondContact O-N 2.83Å; L646-F820 HydrophobicContact CD2-CE1 4.41Å; L646-M823 HydrophobicContact CD1-CE 4.21Å; L646-M823 HydrophobicContact CD1-CG 3.83Å; L646-M823 HydrophobicContact CD1-SD 4.36Å; L646-M823 HydrophobicContact CD2-CB 4.25Å; L646-M823 HydrophobicContact CD2-CE 4.22Å; L646-M823 HydrophobicContact CD2-CG 4.17Å; L646-I828 HydrophobicContact CB-CD1 4.39Å; L646-I828 HydrophobicContact CD2-CD1 3.82Å; L646-I831 HydrophobicContact CD2-CD1 3.51Å
647	I	94.3	Very high	94	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-63.6	-44.1	-177.2	-64.2	-64.2	0	0	0	111.4	Q643 D644 I650 I651 L739 F762 I765	Q643-I647 WeakPolarHBondContact O-CG1 3.42Å; Q643-I647 PolarHBondContact O-N 3.18Å; D644-I647 PolarHBondContact O-N 3.36Å; I647-I650 PolarHBondContact O-N 2.81Å; I647-I651 HydrophobicContact CG2-CD1 3.8Å; I647-I651 HydrophobicContact CG2-CG1 4.38Å; I647-I651 VanDerWaalsContact O-CG1 3.26Å; I647-I651 WeakPolarHBondContact O-CG1 3.34Å; I647-I651 PolarHBondContact O-N 3.32Å; I647-L739 HydrophobicContact CD1-CD1 4.36Å; I647-L739 HydrophobicContact CG2-CD1 4.07Å; I647-F762 HydrophobicContact CB-CB 4.13Å; I647-F762 HydrophobicContact CB-CD2 4.47Å; I647-F762 HydrophobicContact CB-CG 4.13Å; I647-F762 HydrophobicContact CG1-CB 4.2Å; I647-F762 HydrophobicContact CG2-CB 4.05Å; I647-F762 HydrophobicContact CG2-CD1 3.52Å; I647-F762 HydrophobicContact CG2-CD2 4.05Å; I647-F762 HydrophobicContact CG2-CE1 3.92Å; I647-F762 HydrophobicContact CG2-CE2 4.4Å; I647-F762 HydrophobicContact CG2-CG 3.6Å; I647-F762 HydrophobicContact CG2-CZ 4.34Å; I647-I765 HydrophobicContact CD1-CB 4.43Å; I647-I765 HydrophobicContact CD1-CD1 3.97Å; I647-I765 HydrophobicContact CD1-CG2 3.88Å; I647-I765 HydrophobicContact CG1-CD1 4.36Å; I647-I765 HydrophobicContact CG1-CG2 3.95Å
648	L	95.6	Very high	94.2	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-70.1	-31.5	178.4	-75	159.3	0	0	0	113.1	D644 Q645 L646 I651 S652 Y670 V672 F762	D644-L648 WeakPolarHBondContact O-CB 3.43Å; D644-L648 WeakPolarHBondContact O-CD1 3.13Å; D644-L648 WeakPolarHBondContact O-CG 3.24Å; D644-L648 PolarHBondContact O-N 3.41Å; Q645-L648 PolarHBondContact O-N 3.33Å; L646-L648 PolarHBondContact O-N 2.98Å; L648-I651 HydrophobicContact CD2-CD1 4.16Å; L648-I651 PolarHBondContact O-N 3.1Å; L648-S652 WeakPolarHBondContact O-CB 3.37Å; L648-S652 PolarHBondContact O-N 3.2Å; L648-S652 PolarHBondContact O-OG 2.59Å; L648-Y670 HydrophobicContact CD1-CD2 3.77Å; L648-Y670 HydrophobicContact CD1-CE1 4.2Å; L648-Y670 HydrophobicContact CD1-CE2 3.24Å; L648-Y670 HydrophobicContact CD1-CG 4.44Å; L648-Y670 VanDerWaalsContact CD1-CZ 3.49Å; L648-Y670 HydrophobicContact CD2-CD1 4Å; L648-Y670 HydrophobicContact CD2-CD2 4.46Å; L648-Y670 HydrophobicContact CD2-CE1 3.76Å; L648-Y670 HydrophobicContact CD2-CE2 4.27Å; L648-Y670 HydrophobicContact CD2-CG 4.33Å; L648-Y670 HydrophobicContact CG-CE2 4.38Å; L648-V672 HydrophobicContact CD1-CB 4.07Å; L648-V672 HydrophobicContact CD1-CG2 3.29Å; L648-F762 HydrophobicContact CD1-CD2 4.46Å; L648-F762 HydrophobicContact CD1-CE2 4.25Å; L648-F762 HydrophobicContact CD2-CE2 3.84Å; L648-F762 HydrophobicContact CD2-CZ 4.46Å; L648-F762 HydrophobicContact CG-CD2 4.27Å; L648-F762 HydrophobicContact CG-CE2 3.87Å
649	Q	94.9	Very high	94.5	Very high	19 Å²	19	17.6 Å²	17.6	9%	0.089	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-45	169.4	-172.3	-168.2	23.1	0	0	110.7	M394 Q645 L646 S652 L653	M394-Q649 PolarHBondContact O-NE2 2.71Å; Q645-Q649 VanDerWaalsContact O-CB 3.27Å; Q645-Q649 WeakPolarHBondContact O-CB 3.47Å; Q645-Q649 PolarHBondContact O-N 2.97Å; L646-Q649 WeakPolarHBondContact O-CB 3.44Å; L646-Q649 PolarHBondContact O-N 2.82Å; Q649-S652 WeakPolarHBondContact O-CB 3.33Å; Q649-S652 PolarHBondContact O-N 2.84Å; Q649-L653 PolarHBondContact O-N 2.99Å
650	I	95.6	Very high	94.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-39	176.2	-62.3	-62.8	0	0	0	111.7	L646 I647 S652 L653 M654 L739 L819 F820	L646-I650 HydrophobicContact CD1-CG1 4.15Å; L646-I650 WeakPolarHBondContact O-CG1 3.47Å; L646-I650 PolarHBondContact O-N 2.83Å; I647-I650 PolarHBondContact O-N 2.81Å; I650-S652 VanDerWaalsContact C-N 3.32Å; I650-S652 PolarHBondContact O-N 3.35Å; I650-L653 WeakPolarHBondContact O-CB 3.49Å; I650-L653 PolarHBondContact O-N 2.85Å; I650-M654 HydrophobicContact CG2-CE 3.84Å; I650-M654 HydrophobicContact CG2-CG 4.39Å; I650-M654 HydrophobicContact CG2-SD 4.2Å; I650-M654 WeakPolarHBondContact O-CB 3.2Å; I650-M654 VanDerWaalsContact O-CG 3.3Å; I650-M654 WeakPolarHBondContact O-CG 3.43Å; I650-M654 PolarHBondContact O-N 3.47Å; I650-L739 HydrophobicContact CG2-CD1 4.32Å; I650-L739 HydrophobicContact CG2-CD2 3.95Å; I650-L819 HydrophobicContact CD1-CB 4.18Å; I650-L819 HydrophobicContact CD1-CD1 4.09Å; I650-F820 HydrophobicContact CD1-CE2 4.44Å; I650-F820 HydrophobicContact CG1-CE2 4.23Å; I650-F820 HydrophobicContact CG1-CZ 4.18Å; I650-F820 HydrophobicContact CG2-CE2 4.24Å
651	I	96.5	Very high	95	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-41.4	173.7	-65.5	163.4	0	0	0	110.3	I647 L648 L653 M654 D655 P669 Y732 I735 L739 F762	I647-I651 HydrophobicContact CG2-CD1 3.8Å; I647-I651 HydrophobicContact CG2-CG1 4.38Å; I647-I651 VanDerWaalsContact O-CG1 3.26Å; I647-I651 WeakPolarHBondContact O-CG1 3.34Å; I647-I651 PolarHBondContact O-N 3.32Å; L648-I651 HydrophobicContact CD2-CD1 4.16Å; L648-I651 PolarHBondContact O-N 3.1Å; I651-L653 VanDerWaalsContact C-N 3.34Å; I651-M654 PolarHBondContact O-N 2.83Å; I651-D655 PolarHBondContact O-N 2.9Å; I651-P669 HydrophobicContact CG2-CB 4.06Å; I651-Y732 HydrophobicContact CD1-CE1 4.48Å; I651-Y732 HydrophobicContact CG2-CE1 4.43Å; I651-I735 HydrophobicContact CG1-CG2 3.78Å; I651-I735 HydrophobicContact CG2-CD1 4.36Å; I651-L739 HydrophobicContact CG1-CD1 4.29Å; I651-F762 HydrophobicContact CD1-CE1 4Å; I651-F762 HydrophobicContact CD1-CE2 4.26Å; I651-F762 HydrophobicContact CD1-CZ 3.64Å
652	S	96.5	Very high	95.2	Very high	31 Å²	31	30.1 Å²	30.1	22%	0.217	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-58.3	0	0	0	0	111.6	L648 Q649 I650 D655 K656 P669	L648-S652 WeakPolarHBondContact O-CB 3.37Å; L648-S652 PolarHBondContact O-N 3.2Å; L648-S652 PolarHBondContact O-OG 2.59Å; Q649-S652 WeakPolarHBondContact O-CB 3.33Å; Q649-S652 PolarHBondContact O-N 2.84Å; I650-S652 VanDerWaalsContact C-N 3.32Å; I650-S652 PolarHBondContact O-N 3.35Å; S652-D655 PolarHBondContact O-N 3.03Å; S652-K656 PolarHBondContact O-N 3.34Å; S652-P669 VanDerWaalsContact OG-CB 3.26Å; S652-P669 WeakPolarHBondContact OG-CB 3.46Å
653	L	95.6	Very high	95.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-48.7	173.9	176	65.6	0	0	0	111.1	Y395 Q649 I650 I651 D655 K656 L657 L815 L819	Y395-L653 HydrophobicContact CE1-CD1 4.01Å; Y395-L653 HydrophobicContact CE1-CD2 4.35Å; Q649-L653 PolarHBondContact O-N 2.99Å; I650-L653 WeakPolarHBondContact O-CB 3.49Å; I650-L653 PolarHBondContact O-N 2.85Å; I651-L653 VanDerWaalsContact C-N 3.34Å; L653-D655 VanDerWaalsContact C-N 3.31Å; L653-D655 PolarHBondContact O-N 3.28Å; L653-K656 WeakPolarHBondContact O-CB 3.37Å; L653-K656 PolarHBondContact O-N 3.37Å; L653-K656 VanDerWaalsContact O-N 3.12Å; L653-L657 HydrophobicContact CD1-CD1 4.26Å; L653-L657 HydrophobicContact CD1-CG 4.18Å; L653-L657 HydrophobicContact CG-CD1 3.98Å; L653-L657 HydrophobicContact CG-CG 4.33Å; L653-L657 VanDerWaalsContact O-CG 3.29Å; L653-L657 WeakPolarHBondContact O-CG 3.26Å; L653-L657 PolarHBondContact O-N 2.84Å; L653-L815 HydrophobicContact CD1-CD2 4.26Å; L653-L815 HydrophobicContact CD2-CD2 4.27Å; L653-L815 HydrophobicContact CD2-CG 4.38Å; L653-L819 HydrophobicContact CD2-CD1 3.2Å
654	M	97	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-42.2	177.5	-72.3	176.8	171	0	0	111.5	I650 I651 L657 L658 I735 I738 L739 L809 I816	I650-M654 HydrophobicContact CG2-CE 3.84Å; I650-M654 HydrophobicContact CG2-CG 4.39Å; I650-M654 HydrophobicContact CG2-SD 4.2Å; I650-M654 WeakPolarHBondContact O-CB 3.2Å; I650-M654 VanDerWaalsContact O-CG 3.3Å; I650-M654 WeakPolarHBondContact O-CG 3.43Å; I650-M654 PolarHBondContact O-N 3.47Å; I651-M654 PolarHBondContact O-N 2.83Å; M654-L657 PolarHBondContact O-N 3.35Å; M654-L658 WeakPolarHBondContact O-CB 3.41Å; M654-L658 WeakPolarHBondContact O-CG 3.38Å; M654-L658 PolarHBondContact O-N 3.37Å; M654-I735 HydrophobicContact CB-CD1 4.07Å; M654-I735 HydrophobicContact CB-CG1 4.43Å; M654-I735 HydrophobicContact SD-CB 4.15Å; M654-I735 HydrophobicContact SD-CD1 4.24Å; M654-I735 HydrophobicContact SD-CG1 3.73Å; M654-I735 HydrophobicContact SD-CG2 3.57Å; M654-I735 VanDerWaalsContact SD-CG2 3.57Å; M654-I738 HydrophobicContact CE-CG2 3.88Å; M654-L739 HydrophobicContact CE-CD2 3.95Å; M654-L739 HydrophobicContact CE-CG 4.3Å; M654-L809 HydrophobicContact CB-CD2 3.83Å; M654-L809 HydrophobicContact CG-CD2 3.82Å; M654-L809 HydrophobicContact SD-CD1 4.3Å; M654-I816 HydrophobicContact CE-CD1 3.78Å; M654-I816 HydrophobicContact CE-CG2 4.18Å; M654-I816 HydrophobicContact CG-CD1 4.22Å
655	D	97.1	Very high	95.8	Very high	16 Å²	16	31.8 Å²	31.8	9%	0.086	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-44.2	174	-170.1	55.4	0	0	0	111.6	I651 S652 L653 L657 L658 R659 L667	I651-D655 PolarHBondContact O-N 2.9Å; S652-D655 PolarHBondContact O-N 3.03Å; L653-D655 VanDerWaalsContact C-N 3.31Å; L653-D655 PolarHBondContact O-N 3.28Å; D655-L657 PolarHBondContact O-N 2.96Å; D655-L658 PolarHBondContact O-N 3.44Å; D655-R659 WeakPolarHBondContact O-CB 3.42Å; D655-R659 VanDerWaalsContact O-CG 3.26Å; D655-R659 WeakPolarHBondContact O-CG 3.44Å; D655-R659 PolarHBondContact O-N 3.39Å; D655-R659 IonicContact OD1-CZ 3.03Å; D655-R659 IonicContact OD1-NE 2.64Å; D655-R659 IonicContact OD1-NH2 2.84Å; D655-R659 PolarHBondContact OD1-NH2 2.92Å; D655-R659 IonicContact OD2-CZ 2.99Å; D655-R659 IonicContact OD2-NE 2.79Å; D655-R659 PolarHBondContact OD2-NE 3.2Å; D655-R659 IonicContact OD2-NH2 3.83Å; D655-R659 PolarHBondContact OD2-NH2 3.39Å; D655-L667 HydrophobicContact CB-CB 4.34Å; D655-L667 HydrophobicContact CB-CD1 3.82Å
656	K	95.6	Very high	95.9	Very high	60 Å²	60	34.4 Å²	34.4	26%	0.261	16%	0.164	S	C	.	.	H	α-helix	trans	-60.6	-44.2	176	-173.7	175.5	-177.6	174.4	0	111.9	D391 M394 S652 L653 R659 K660	D391-K656 WeakPolarHBondContact OD1-CE 3.47Å; D391-K656 IonicContact OD1-NZ 3.77Å; D391-K656 PolarHBondContact OD1-NZ 3.47Å; M394-K656 HydrophobicContact CE-CD 4.35Å; S652-K656 PolarHBondContact O-N 3.34Å; L653-K656 WeakPolarHBondContact O-CB 3.37Å; L653-K656 PolarHBondContact O-N 3.37Å; L653-K656 VanDerWaalsContact O-N 3.12Å; K656-R659 PolarHBondContact O-N 2.87Å; K656-K660 PolarHBondContact O-N 3.12Å
657	L	95.1	Very high	96	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-42	178.4	-67.6	172.4	0	0	0	112	L653 M654 D655 K660 E661 Y812 L815	L653-L657 HydrophobicContact CD1-CD1 4.26Å; L653-L657 HydrophobicContact CD1-CG 4.18Å; L653-L657 HydrophobicContact CG-CD1 3.98Å; L653-L657 HydrophobicContact CG-CG 4.33Å; L653-L657 VanDerWaalsContact O-CG 3.29Å; L653-L657 WeakPolarHBondContact O-CG 3.26Å; L653-L657 PolarHBondContact O-N 2.84Å; M654-L657 PolarHBondContact O-N 3.35Å; D655-L657 PolarHBondContact O-N 2.96Å; L657-K660 WeakPolarHBondContact O-CB 3.2Å; L657-K660 PolarHBondContact O-N 3.22Å; L657-E661 PolarHBondContact O-N 3.41Å; L657-Y812 HydrophobicContact CB-CD2 4.25Å; L657-Y812 HydrophobicContact CD1-CG 4.1Å; L657-Y812 HydrophobicContact CD2-CD1 3.82Å; L657-Y812 HydrophobicContact CD2-CD2 4.34Å; L657-Y812 HydrophobicContact CD2-CE1 4.04Å; L657-Y812 HydrophobicContact CD2-CG 3.99Å; L657-Y812 HydrophobicContact CG-CG 4.44Å; L657-L815 HydrophobicContact CD1-CD2 4.38Å; L657-L815 HydrophobicContact CD2-CD2 4.35Å
658	L	97.1	Very high	96.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-42.3	176.2	-69.7	172.2	0	0	0	111.7	M654 D655 K660 E661 N662 L663 L665 A805 H808 L809	M654-L658 WeakPolarHBondContact O-CB 3.41Å; M654-L658 WeakPolarHBondContact O-CG 3.38Å; M654-L658 PolarHBondContact O-N 3.37Å; D655-L658 PolarHBondContact O-N 3.44Å; L658-K660 VanDerWaalsContact C-N 3.3Å; L658-K660 PolarHBondContact O-N 3.47Å; L658-E661 CarbonylContact O-C 3.52Å; L658-E661 PolarHBondContact O-N 3.32Å; L658-E661 VanDerWaalsContact O-N 3.1Å; L658-N662 PolarHBondContact O-N 3.38Å; L658-L663 CarbonylContact C-O 3.09Å; L658-L663 VanDerWaalsContact C-O 3.31Å; L658-L663 HydrophobicContact CB-CB 4.49Å; L658-L663 WeakPolarHBondContact CB-O 3.17Å; L658-L663 HydrophobicContact CD2-CD2 4.2Å; L658-L663 WeakPolarHBondContact O-CA 3.39Å; L658-L663 WeakPolarHBondContact O-CB 3.45Å; L658-L663 PolarHBondContact O-N 2.95Å; L658-L665 HydrophobicContact CD1-CD1 3.65Å; L658-L665 HydrophobicContact CD1-CG 4.39Å; L658-A805 HydrophobicContact CD2-CB 4.36Å; L658-H808 HydrophobicContact CD2-CB 3.84Å; L658-L809 HydrophobicContact CD1-CD1 4.5Å; L658-L809 HydrophobicContact CD1-CD2 4.32Å; L658-L809 HydrophobicContact CD1-CG 4.48Å; L658-L809 HydrophobicContact CD2-CD2 4.05Å; L658-L809 HydrophobicContact CD2-CG 3.98Å; L658-L809 HydrophobicContact CG-CD2 3.94Å; L658-L809 HydrophobicContact CG-CG 4.3Å
659	R	96.3	Very high	96.1	Very high	102 Å²	102	36.9 Å²	36.9	39%	0.385	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-34.7	174.2	-71.9	175.7	-170.5	-73.1	-19.3	112.6	D655 K656 E661 N662 D664	D655-R659 WeakPolarHBondContact O-CB 3.42Å; D655-R659 VanDerWaalsContact O-CG 3.26Å; D655-R659 WeakPolarHBondContact O-CG 3.44Å; D655-R659 PolarHBondContact O-N 3.39Å; D655-R659 IonicContact OD1-CZ 3.03Å; D655-R659 IonicContact OD1-NE 2.64Å; D655-R659 IonicContact OD1-NH2 2.84Å; D655-R659 PolarHBondContact OD1-NH2 2.92Å; D655-R659 IonicContact OD2-CZ 2.99Å; D655-R659 IonicContact OD2-NE 2.79Å; D655-R659 PolarHBondContact OD2-NE 3.2Å; D655-R659 IonicContact OD2-NH2 3.83Å; D655-R659 PolarHBondContact OD2-NH2 3.39Å; K656-R659 PolarHBondContact O-N 2.87Å; R659-E661 PolarHBondContact O-N 2.92Å; R659-N662 WeakPolarHBondContact O-CA 3.39Å; R659-N662 PolarHBondContact O-N 3.08Å; R659-D664 IonicContact CZ-OD1 2.81Å; R659-D664 IonicContact CZ-OD2 3.68Å; R659-D664 IonicContact NH1-OD1 3Å; R659-D664 PolarHBondContact NH1-OD1 3.1Å; R659-D664 VanDerWaalsContact NH1-OD1 3.1Å; R659-D664 IonicContact NH1-OD2 3.54Å; R659-D664 PolarHBondContact NH1-OD2 3.46Å; R659-D664 VanDerWaalsContact NH1-OD2 3.08Å; R659-D664 IonicContact NH2-OD1 3.03Å; R659-D664 PolarHBondContact NH2-OD1 3.21Å; R659-D664 IonicContact NH2-OD2 3.61Å
660	K	93.9	Very high	96.2	Very high	127 Å²	127	36.3 Å²	36.3	55%	0.552	18%	0.177	S	C	*	.	H	α-helix	trans	-60.7	-32.1	174.2	-172.7	-179.8	178.2	-179	0	112	E361 K656 L657 L658 N662	E361-K660 IonicContact OE1-NZ 3.54Å; K656-K660 PolarHBondContact O-N 3.12Å; L657-K660 WeakPolarHBondContact O-CB 3.2Å; L657-K660 PolarHBondContact O-N 3.22Å; L658-K660 VanDerWaalsContact C-N 3.3Å; L658-K660 PolarHBondContact O-N 3.47Å; K660-N662 VanDerWaalsContact C-N 3.27Å; K660-N662 PolarHBondContact O-N 2.95Å
661	E	95.6	Very high	96.2	Very high	61 Å²	61	39.8 Å²	39.8	29%	0.285	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	11.9	173.5	-59.8	-70.2	140.3	0	0	113.1	L657 L658 R659 L663 H808 Y812	L657-E661 PolarHBondContact O-N 3.41Å; L658-E661 CarbonylContact O-C 3.52Å; L658-E661 PolarHBondContact O-N 3.32Å; L658-E661 VanDerWaalsContact O-N 3.1Å; R659-E661 PolarHBondContact O-N 2.92Å; E661-L663 VanDerWaalsContact C-N 3.28Å; E661-L663 PolarHBondContact O-N 2.83Å; E661-H808 HydrophobicContact CG-CB 4.36Å; E661-H808 IonicContact OE2-CE1 3.96Å; E661-H808 IonicContact OE2-ND1 3.59Å; E661-H808 PolarHBondContact OE2-ND1 2.93Å; E661-Y812 HydrophobicContact CG-CE2 4.01Å; E661-Y812 PolarHBondContact OE1-OH 3.29Å
662	N	95.5	Very high	96.2	Very high	154 Å²	154	40.4 Å²	40.4	82%	0.824	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	24.9	-175.1	-54.3	-68.1	0	0	0	115	L658 R659 K660	L658-N662 PolarHBondContact O-N 3.38Å; R659-N662 WeakPolarHBondContact O-CA 3.39Å; R659-N662 PolarHBondContact O-N 3.08Å; K660-N662 VanDerWaalsContact C-N 3.27Å; K660-N662 PolarHBondContact O-N 2.95Å
663	L	96.6	Very high	96.2	Very high	22 Å²	22	39 Å²	39	12%	0.115	19%	0.185	C	C	.	.			trans	-106.5	91.7	176	-167.4	63	0	0	0	111.3	L658 E661 L665 Q801 T804 A805	L658-L663 CarbonylContact C-O 3.09Å; L658-L663 VanDerWaalsContact C-O 3.31Å; L658-L663 HydrophobicContact CB-CB 4.49Å; L658-L663 WeakPolarHBondContact CB-O 3.17Å; L658-L663 HydrophobicContact CD2-CD2 4.2Å; L658-L663 WeakPolarHBondContact O-CA 3.39Å; L658-L663 WeakPolarHBondContact O-CB 3.45Å; L658-L663 PolarHBondContact O-N 2.95Å; E661-L663 VanDerWaalsContact C-N 3.28Å; E661-L663 PolarHBondContact O-N 2.83Å; L663-L665 HydrophobicContact CD1-CD2 4.29Å; L663-L665 HydrophobicContact CD2-CD2 4.26Å; L663-L665 HydrophobicContact CD2-CG 4.4Å; L663-L665 HydrophobicContact CG-CD2 4Å; L663-L665 HydrophobicContact CG-CG 4.14Å; L663-L665 PolarHBondContact O-N 3.46Å; L663-Q801 VanDerWaalsContact CD1-OE1 3.31Å; L663-T804 HydrophobicContact CD2-CG2 4Å; L663-A805 HydrophobicContact CD2-CB 4.13Å
664	D	97.1	Very high	96.2	Very high	45 Å²	45	38.8 Å²	38.8	24%	0.241	19%	0.185	C	C	.	.			trans	-88.1	97.4	174.6	-177.3	7.4	0	0	0	111.4	R659 K666	R659-D664 IonicContact CZ-OD1 2.81Å; R659-D664 IonicContact CZ-OD2 3.68Å; R659-D664 IonicContact NH1-OD1 3Å; R659-D664 PolarHBondContact NH1-OD1 3.1Å; R659-D664 VanDerWaalsContact NH1-OD1 3.1Å; R659-D664 IonicContact NH1-OD2 3.54Å; R659-D664 PolarHBondContact NH1-OD2 3.46Å; R659-D664 VanDerWaalsContact NH1-OD2 3.08Å; R659-D664 IonicContact NH2-OD1 3.03Å; R659-D664 PolarHBondContact NH2-OD1 3.21Å; R659-D664 IonicContact NH2-OD2 3.61Å; D664-K666 PolarHBondContact O-N 3.05Å; D664-K666 WeakPolarHBondContact OD1-CA 3.49Å; D664-K666 PolarHBondContact OD1-N 3.37Å; D664-K666 WeakPolarHBondContact OD2-CD 3.41Å; D664-K666 WeakPolarHBondContact OD2-CE 3.04Å; D664-K666 IonicContact OD2-NZ 3.38Å; D664-K666 PolarHBondContact OD2-NZ 3.24Å
665	L	97.3	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.			trans	-80.7	8.2	177	-63.5	-178.8	0	0	0	113.8	L658 L663 L667 K727 S728 G731 Q801 A805	L658-L665 HydrophobicContact CD1-CD1 3.65Å; L658-L665 HydrophobicContact CD1-CG 4.39Å; L663-L665 HydrophobicContact CD1-CD2 4.29Å; L663-L665 HydrophobicContact CD2-CD2 4.26Å; L663-L665 HydrophobicContact CD2-CG 4.4Å; L663-L665 HydrophobicContact CG-CD2 4Å; L663-L665 HydrophobicContact CG-CG 4.14Å; L663-L665 PolarHBondContact O-N 3.46Å; L665-L667 HydrophobicContact CB-CG 4.17Å; L665-L667 PolarHBondContact O-N 3.17Å; L665-K727 CarbonylContact O-C 3.53Å; L665-S728 WeakPolarHBondContact O-CA 3.47Å; L665-S728 PolarHBondContact O-N 3.37Å; L665-G731 VanDerWaalsContact CD1-CA 3.44Å; L665-Q801 HydrophobicContact CD2-CB 4.34Å; L665-A805 HydrophobicContact CD1-CB 3.64Å
666	K	97.1	Very high	96	Very high	66 Å²	66	38.6 Å²	38.6	29%	0.287	18%	0.184	S	C	.	.			trans	56.1	32.9	177.8	-51.4	-62.4	178.3	-171	0	113.8	D664 T724 K727	D664-K666 PolarHBondContact O-N 3.05Å; D664-K666 WeakPolarHBondContact OD1-CA 3.49Å; D664-K666 PolarHBondContact OD1-N 3.37Å; D664-K666 WeakPolarHBondContact OD2-CD 3.41Å; D664-K666 WeakPolarHBondContact OD2-CE 3.04Å; D664-K666 IonicContact OD2-NZ 3.38Å; D664-K666 PolarHBondContact OD2-NZ 3.24Å; K666-T724 HydrophobicContact CB-CG2 4.03Å; K666-T724 HydrophobicContact CG-CG2 4.27Å; K666-K727 HydrophobicContact CG-CB 4.3Å; K666-K727 HydrophobicContact CG-CD 4.31Å
667	L	96.9	Very high	95.8	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	18%	0.179	C	C	.	.			trans	-60.9	157	177	-62.7	175	0	0	0	111.5	D655 L665 P669 Y732 I735	D655-L667 HydrophobicContact CB-CB 4.34Å; D655-L667 HydrophobicContact CB-CD1 3.82Å; L665-L667 HydrophobicContact CB-CG 4.17Å; L665-L667 PolarHBondContact O-N 3.17Å; L667-P669 VanDerWaalsContact C-CD 3.45Å; L667-Y732 HydrophobicContact CB-CE2 4.45Å; L667-Y732 HydrophobicContact CD2-CD2 3.59Å; L667-Y732 HydrophobicContact CD2-CE2 3.59Å; L667-Y732 HydrophobicContact CD2-CG 4.17Å; L667-I735 HydrophobicContact CD1-CD1 3.43Å; L667-I735 VanDerWaalsContact CD1-CD1 3.43Å; L667-I735 HydrophobicContact CD2-CD1 4.35Å
668	T	96.4	Very high	95.7	Very high	17 Å²	17	41.8 Å²	41.8	10%	0.104	20%	0.2	C	C	.	.			trans	-128.3	68.9	178.2	-50.2	0	0	0	0	110.2	Y670 I685 Y732 K756	T668-Y670 PolarHBondContact O-N 2.99Å; T668-I685 HydrophobicContact CG2-CD1 4.45Å; T668-I685 HydrophobicContact CG2-CG1 4.34Å; T668-I685 HydrophobicContact CG2-CG2 4.43Å; T668-Y732 PolarHBondContact N-OH 2.52Å; T668-Y732 PolarHBondContact O-OH 3.23Å; T668-K756 VanDerWaalsContact OG1-CD 3.24Å; T668-K756 WeakPolarHBondContact OG1-CD 3.1Å
669	P	95.3	Very high	95.6	Very high	33 Å²	33	42.5 Å²	42.5	21%	0.214	20%	0.203	C	C	.	.			trans	-69.4	96.1	172.7	28.9	-32	0	0	0	109.4	I651 S652 L667	I651-P669 HydrophobicContact CG2-CB 4.06Å; S652-P669 VanDerWaalsContact OG-CB 3.26Å; S652-P669 WeakPolarHBondContact OG-CB 3.46Å; L667-P669 VanDerWaalsContact C-CD 3.45Å
670	Y	95.8	Very high	95.6	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.027	19%	0.185	C	C	.	.			trans	-72.8	149.1	177	59	-90.7	0	0	0	110.5	L648 T668 V672 M682 F758 H759 I760 F762	L648-Y670 HydrophobicContact CD1-CD2 3.77Å; L648-Y670 HydrophobicContact CD1-CE1 4.2Å; L648-Y670 HydrophobicContact CD1-CE2 3.24Å; L648-Y670 HydrophobicContact CD1-CG 4.44Å; L648-Y670 VanDerWaalsContact CD1-CZ 3.49Å; L648-Y670 HydrophobicContact CD2-CD1 4Å; L648-Y670 HydrophobicContact CD2-CD2 4.46Å; L648-Y670 HydrophobicContact CD2-CE1 3.76Å; L648-Y670 HydrophobicContact CD2-CE2 4.27Å; L648-Y670 HydrophobicContact CD2-CG 4.33Å; L648-Y670 HydrophobicContact CG-CE2 4.38Å; T668-Y670 PolarHBondContact O-N 2.99Å; Y670-V672 HydrophobicContact CD2-CG2 3.86Å; Y670-V672 HydrophobicContact CE2-CG2 3.66Å; Y670-M682 HydrophobicContact CE2-CE 3.63Å; Y670-F758 HydrophobicContact CD1-CD2 4.04Å; Y670-F758 HydrophobicContact CD1-CE2 4.16Å; Y670-F758 HydrophobicContact CE1-CD2 4.19Å; Y670-F758 HydrophobicContact CE1-CE2 4.42Å; Y670-H759 WeakPolarHBondContact CE1-O 3.49Å; Y670-I760 HydrophobicContact CE1-CG2 3.86Å; Y670-I760 WeakPolarHBondContact OH-CA 3.49Å; Y670-F762 HydrophobicContact CE1-CE2 4.46Å; Y670-F762 WeakPolarHBondContact OH-CE2 3.47Å
671	K	95.7	Very high	95.8	Very high	74 Å²	74	31.6 Å²	31.6	32%	0.322	16%	0.159	S	C	.	.			trans	-74.9	139.1	-175.9	-60.3	-178.7	177.1	-174.8	0	111.2	L595 E596 M682 Q683	L595-K671 HydrophobicContact CD1-CB 3.79Å; L595-K671 HydrophobicContact CG-CB 4.07Å; E596-K671 HydrophobicContact CB-CD 4.34Å; E596-K671 HydrophobicContact CG-CD 4.46Å; E596-K671 IonicContact OE1-NZ 3.17Å; E596-K671 PolarHBondContact OE1-NZ 3.42Å; E596-K671 IonicContact OE2-NZ 3.29Å; K671-M682 CarbonylContact O-C 3.55Å; K671-M682 WeakPolarHBondContact O-CA 3.08Å; K671-Q683 HydrophobicContact CB-CB 4.11Å; K671-Q683 VanDerWaalsContact N-OE1 3.09Å; K671-Q683 PolarHBondContact O-N 2.91Å
672	V	96.6	Very high	95.8	Very high	15 Å²	15	29.3 Å²	29.3	9%	0.091	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.9	171.8	175.8	0	0	0	0	108.8	L641 D644 Q645 L648 Y670 F681 M682	L641-V672 HydrophobicContact CB-CG1 3.99Å; L641-V672 HydrophobicContact CD1-CG1 4.31Å; D644-V672 HydrophobicContact CB-CG1 4.37Å; Q645-V672 HydrophobicContact CB-CB 4.44Å; Q645-V672 HydrophobicContact CB-CG1 4.06Å; L648-V672 HydrophobicContact CD1-CB 4.07Å; L648-V672 HydrophobicContact CD1-CG2 3.29Å; Y670-V672 HydrophobicContact CD2-CG2 3.86Å; Y670-V672 HydrophobicContact CE2-CG2 3.66Å; V672-F681 WeakPolarHBondContact CA-O 3.44Å; V672-M682 HydrophobicContact CG1-CG 4.34Å; V672-M682 HydrophobicContact CG2-CB 4.11Å; V672-M682 HydrophobicContact CG2-CE 3.97Å; V672-M682 HydrophobicContact CG2-CG 3.98Å
673	L	97.3	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	111	174.7	-178.9	66.2	0	0	0	110	Y492 W495 Y496 P594 L595 T675 G680 F681	Y492-L673 HydrophobicContact CD1-CD1 4.19Å; Y492-L673 HydrophobicContact CE1-CD1 4.49Å; W495-L673 HydrophobicContact CB-CD1 3.93Å; W495-L673 HydrophobicContact CB-CD2 4.26Å; W495-L673 HydrophobicContact CB-CG 4.44Å; W495-L673 HydrophobicContact CG-CD2 3.97Å; Y496-L673 HydrophobicContact CD1-CD1 4.29Å; Y496-L673 HydrophobicContact CE1-CD1 3.76Å; P594-L673 HydrophobicContact CB-CD2 3.82Å; P594-L673 WeakPolarHBondContact O-CD2 3.42Å; L595-L673 HydrophobicContact CD1-CB 3.85Å; L673-T675 HydrophobicContact CD2-CG2 4.25Å; L673-T675 HydrophobicContact CG-CG2 4.26Å; L673-G680 CarbonylContact O-C 3.59Å; L673-G680 WeakPolarHBondContact O-CA 3.33Å; L673-F681 PolarHBondContact N-O 3.14Å; L673-F681 PolarHBondContact O-N 2.97Å
674	A	96.1	Very high	95.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.4	162.3	0	0	0	0	0	108.9	V499 L641 R642	V499-A674 HydrophobicContact CG2-CB 4.45Å; L641-A674 HydrophobicContact CB-CB 4.29Å; R642-A674 HydrophobicContact CG-CB 3.98Å
675	T	95.8	Very high	95.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-10.4	175.7	48.7	0	0	0	0	111.8	W495 L673 H679 F681	W495-T675 HydrophobicContact CD2-CG2 3.98Å; W495-T675 HydrophobicContact CE3-CG2 3.6Å; W495-T675 HydrophobicContact CH2-CG2 4.14Å; W495-T675 HydrophobicContact CZ2-CG2 4.48Å; W495-T675 HydrophobicContact CZ3-CG2 3.7Å; L673-T675 HydrophobicContact CD2-CG2 4.25Å; L673-T675 HydrophobicContact CG-CG2 4.26Å; T675-H679 PolarHBondContact N-O 3.41Å; T675-H679 PolarHBondContact OG1-CE1 3.38Å; T675-H679 PolarHBondContact OG1-ND1 2.94Å; T675-H679 PolarHBondContact OG1-O 3.1Å; T675-H679 VanDerWaalsContact OG1-O 3.12Å; T675-F681 HydrophobicContact CG2-CD2 3.81Å; T675-F681 HydrophobicContact CG2-CE2 3.89Å
676	S	94.1	Very high	95.6	Very high	10 Å²	10	31 Å²	31	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	178.5	168.4	-173.4	0	0	0	0	108.1	E502 K678 H679	E502-S676 VanDerWaalsContact OE2-CB 3.27Å; E502-S676 WeakPolarHBondContact OE2-CB 3.27Å; E502-S676 PolarHBondContact OE2-OG 2.94Å; S676-K678 PolarHBondContact O-N 3.37Å; S676-H679 WeakPolarHBondContact CB-CE1 3.45Å; S676-H679 WeakPolarHBondContact CB-NE2 3.4Å; S676-H679 PolarHBondContact N-O 3.32Å; S676-H679 VanDerWaalsContact N-O 3.15Å
677	T	91.5	Very high	95.5	Very high	25 Å²	25	28.9 Å²	28.9	15%	0.153	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-3.3	172.7	55.8	0	0	0	0	113.6	V499 D503 D640	V499-T677 HydrophobicContact CG1-CG2 4.35Å; D503-T677 HydrophobicContact CB-CG2 4.14Å; D640-T677 WeakPolarHBondContact CB-O 3.4Å
678	K	92	Very high	95.4	Very high	111 Å²	111	30 Å²	30	48%	0.483	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-6.6	-176.6	-62.3	178.4	-175.9	171.3	0	114.1	H637 G638 D639 S676	H637-K678 CarbonylContact C-O 3.49Å; G638-K678 WeakPolarHBondContact CA-O 3.35Å; G638-K678 PolarHBondContact N-O 2.86Å; D639-K678 PolarHBondContact N-O 3.49Å; D639-K678 VanDerWaalsContact N-O 3.17Å; D639-K678 CarbonylContact O-C 3.21Å; D639-K678 WeakPolarHBondContact O-CA 3.49Å; S676-K678 PolarHBondContact O-N 3.37Å
679	H	94.4	Very high	95.3	Very high	16 Å²	16	30.8 Å²	30.8	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	157.8	-177.9	56.9	76.3	0	0	0	113.2	F635 K636 H637 D639 T675 S676	F635-H679 HydrophobicContact CE2-CB 4.4Å; F635-H679 HydrophobicContact CZ-CB 4.01Å; K636-H679 WeakPolarHBondContact O-CA 3.38Å; K636-H679 WeakPolarHBondContact O-CB 3.32Å; H637-H679 HydrophobicContact CB-CB 4.46Å; D639-H679 PolarHBondContact O-N 3.3Å; T675-H679 PolarHBondContact N-O 3.41Å; T675-H679 PolarHBondContact OG1-CE1 3.38Å; T675-H679 PolarHBondContact OG1-ND1 2.94Å; T675-H679 PolarHBondContact OG1-O 3.1Å; T675-H679 VanDerWaalsContact OG1-O 3.12Å; S676-H679 WeakPolarHBondContact CB-CE1 3.45Å; S676-H679 WeakPolarHBondContact CB-NE2 3.4Å; S676-H679 PolarHBondContact N-O 3.32Å; S676-H679 VanDerWaalsContact N-O 3.15Å
680	G	96.8	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-176.4	174.9	0	0	0	0	0	113.6	F635 K636 L673	F635-G680 WeakPolarHBondContact CD2-O 3.44Å; K636-G680 PolarHBondContact N-O 3.48Å; K636-G680 PolarHBondContact O-N 3.05Å; K636-G680 VanDerWaalsContact O-N 3.13Å; L673-G680 CarbonylContact O-C 3.59Å; L673-G680 WeakPolarHBondContact O-CA 3.33Å
681	F	97.6	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.2	-175.9	-63.8	-83.3	0	0	0	110.8	V549 L552 P594 L595 F623 V633 I634 F635 V672 L673 T675	V549-F681 HydrophobicContact CG2-CE2 3.76Å; V549-F681 HydrophobicContact CG2-CZ 4.01Å; L552-F681 HydrophobicContact CD2-CE1 3.74Å; L552-F681 HydrophobicContact CD2-CZ 3.84Å; P594-F681 HydrophobicContact CB-CD2 4.49Å; P594-F681 HydrophobicContact CB-CE2 4.42Å; P594-F681 HydrophobicContact CG-CE2 4.45Å; L595-F681 HydrophobicContact CB-CB 4.07Å; L595-F681 HydrophobicContact CD1-CB 4.13Å; L595-F681 HydrophobicContact CD2-CB 4.29Å; L595-F681 HydrophobicContact CG-CB 4.4Å; F623-F681 HydrophobicContact CZ-CE1 4.35Å; V633-F681 HydrophobicContact CG1-CB 4.05Å; V633-F681 HydrophobicContact CG1-CD1 3.65Å; V633-F681 HydrophobicContact CG1-CG 4.31Å; I634-F681 CarbonylContact O-C 3.36Å; I634-F681 WeakPolarHBondContact O-CA 3.45Å; F635-F681 HydrophobicContact CB-CD1 4.36Å; F635-F681 HydrophobicContact CB-CE1 4.38Å; F635-F681 AromaticContact CD2-CD1 3.66Å; F635-F681 HydrophobicContact CD2-CD1 3.66Å; F635-F681 HydrophobicContact CD2-CD2 4.4Å; F635-F681 AromaticContact CD2-CE1 3.42Å; F635-F681 HydrophobicContact CD2-CE1 3.42Å; F635-F681 VanDerWaalsContact CD2-CE1 3.42Å; F635-F681 HydrophobicContact CD2-CE2 4.18Å; F635-F681 HydrophobicContact CD2-CG 4.17Å; F635-F681 AromaticContact CD2-CZ 3.7Å; F635-F681 HydrophobicContact CD2-CZ 3.7Å; F635-F681 HydrophobicContact CE2-CE1 4.06Å; F635-F681 HydrophobicContact CE2-CE2 4.11Å; F635-F681 AromaticContact CE2-CZ 3.84Å; F635-F681 HydrophobicContact CE2-CZ 3.84Å; F635-F681 HydrophobicContact CG-CD1 4.48Å; F635-F681 HydrophobicContact CG-CE1 4.24Å; V672-F681 WeakPolarHBondContact CA-O 3.44Å; L673-F681 PolarHBondContact N-O 3.14Å; L673-F681 PolarHBondContact O-N 2.97Å; T675-F681 HydrophobicContact CG2-CD2 3.81Å; T675-F681 HydrophobicContact CG2-CE2 3.89Å
682	M	96.8	Very high	95	Very high	13 Å²	13	31 Å²	31	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.2	170.5	-45.7	174.2	68.9	0	0	109.1	V633 I634 K636 L641 Y670 K671 V672 F684	V633-M682 WeakPolarHBondContact CG1-O 3.48Å; I634-M682 HydrophobicContact CB-CB 4.2Å; I634-M682 PolarHBondContact N-O 3Å; I634-M682 PolarHBondContact O-N 3.28Å; K636-M682 HydrophobicContact CD-SD 3.57Å; K636-M682 VanDerWaalsContact CD-SD 3.57Å; K636-M682 VanDerWaalsContact CE-SD 3.54Å; K636-M682 HydrophobicContact CG-SD 4.19Å; L641-M682 HydrophobicContact CD1-CG 4.01Å; L641-M682 HydrophobicContact CD1-SD 4.48Å; L641-M682 HydrophobicContact CD2-SD 4.42Å; Y670-M682 HydrophobicContact CE2-CE 3.63Å; K671-M682 CarbonylContact O-C 3.55Å; K671-M682 WeakPolarHBondContact O-CA 3.08Å; V672-M682 HydrophobicContact CG1-CG 4.34Å; V672-M682 HydrophobicContact CG2-CB 4.11Å; V672-M682 HydrophobicContact CG2-CE 3.97Å; V672-M682 HydrophobicContact CG2-CG 3.98Å; M682-F684 PolarHBondContact O-N 2.95Å
683	Q	96.3	Very high	94.9	Very high	45 Å²	45	30.3 Å²	30.3	21%	0.21	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.5	174.9	-176.7	-178.7	23.1	0	0	109.7	L595 Y631 K671 I685	L595-Q683 HydrophobicContact CD2-CB 4.15Å; Y631-Q683 PolarHBondContact OH-NE2 2.75Å; K671-Q683 HydrophobicContact CB-CB 4.11Å; K671-Q683 VanDerWaalsContact N-OE1 3.09Å; K671-Q683 PolarHBondContact O-N 2.91Å; Q683-I685 HydrophobicContact CG-CD1 3.94Å
684	F	95.7	Very high	94.7	Very high	35 Å²	35	32.1 Å²	32.1	15%	0.154	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-84.9	123.5	172.9	-177.7	-95.1	0	0	0	109.9	F612 Q620 P632 I634 M682	F612-F684 HydrophobicContact CE1-CE2 4.28Å; F612-F684 AromaticContact CZ-CD2 3.99Å; F612-F684 HydrophobicContact CZ-CD2 3.99Å; F612-F684 AromaticContact CZ-CE2 3.81Å; F612-F684 HydrophobicContact CZ-CE2 3.81Å; Q620-F684 HydrophobicContact CG-CD2 4.47Å; Q620-F684 VanDerWaalsContact NE2-CE2 3.34Å; P632-F684 HydrophobicContact CB-CB 3.9Å; P632-F684 HydrophobicContact CB-CD1 3.91Å; P632-F684 HydrophobicContact CB-CG 4.24Å; P632-F684 HydrophobicContact CG-CB 4.23Å; P632-F684 HydrophobicContact CG-CD1 4.07Å; P632-F684 PolarHBondContact O-N 3.33Å; I634-F684 HydrophobicContact CD1-CD2 4Å; I634-F684 HydrophobicContact CG1-CB 4.13Å; I634-F684 HydrophobicContact CG1-CD2 3.97Å; M682-F684 PolarHBondContact O-N 2.95Å
685	I	95.3	Very high	94.5	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.185	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-103.6	133.1	172.4	-54.2	-58.5	0	0	0	108.4	T668 Q683 S687 T752 F758	T668-I685 HydrophobicContact CG2-CD1 4.45Å; T668-I685 HydrophobicContact CG2-CG1 4.34Å; T668-I685 HydrophobicContact CG2-CG2 4.43Å; Q683-I685 HydrophobicContact CG-CD1 3.94Å; I685-S687 PolarHBondContact O-N 2.87Å; I685-S687 PolarHBondContact O-OG 3.43Å; I685-T752 HydrophobicContact CG2-CG2 4.32Å; I685-F758 HydrophobicContact CB-CE1 4.48Å; I685-F758 HydrophobicContact CB-CE2 4.36Å; I685-F758 HydrophobicContact CB-CZ 3.78Å; I685-F758 HydrophobicContact CG1-CE2 4.49Å; I685-F758 HydrophobicContact CG1-CZ 4.35Å; I685-F758 HydrophobicContact CG2-CE1 3.96Å; I685-F758 HydrophobicContact CG2-CZ 3.76Å
686	Q	94.2	Very high	94.4	Very high	139 Å²	139	43 Å²	43	65%	0.65	22%	0.224	S	C	*	.			trans	-72	99.9	177.4	-173.7	64.1	53.9	0	0	110.4
687	S	94.9	Very high	94.3	Very high	22 Å²	22	44.7 Å²	44.7	15%	0.154	23%	0.231	C	C	.	.			trans	-150.9	169	-174.2	53.6	0	0	0	0	111.9	I685 L750 L751 F758	I685-S687 PolarHBondContact O-N 2.87Å; I685-S687 PolarHBondContact O-OG 3.43Å; S687-L750 WeakPolarHBondContact OG-CD1 3.49Å; S687-L751 WeakPolarHBondContact CA-O 3.35Å; S687-L751 WeakPolarHBondContact CB-O 3.41Å; S687-F758 WeakPolarHBondContact OG-CZ 3.29Å
688	V	94.7	Very high	94.2	Very high	30 Å²	30	46.1 Å²	46.1	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.8	177.1	-173.4	0	0	0	0	108.8	E692 V693 F703 L751	V688-E692 HydrophobicContact CG1-CB 3.95Å; V688-E692 HydrophobicContact CG1-CG 3.95Å; V688-V693 HydrophobicContact CB-CG2 4.03Å; V688-V693 HydrophobicContact CG1-CG2 3.8Å; V688-F703 HydrophobicContact CG2-CE2 4.47Å; V688-L751 PolarHBondContact N-O 2.99Å; V688-L751 PolarHBondContact O-N 2.76Å
689	P	95	Very high	94.3	Very high	33 Å²	33	42.4 Å²	42.4	21%	0.214	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.7	173.1	-20.7	32	0	0	0	112.1	A691 E692 V693 L749 L750	P689-A691 PolarHBondContact O-N 2.92Å; P689-E692 HydrophobicContact CB-CB 4.43Å; P689-E692 PolarHBondContact O-N 3.27Å; P689-E692 VanDerWaalsContact O-N 3.09Å; P689-V693 WeakPolarHBondContact O-CG2 3.48Å; P689-V693 PolarHBondContact O-N 3.3Å; P689-L749 CarbonylContact C-O 3.58Å; P689-L749 WeakPolarHBondContact CA-O 3.29Å; P689-L750 HydrophobicContact CB-CD2 3.92Å; P689-L750 HydrophobicContact CG-CD2 3.75Å
690	V	93.8	Very high	94.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-36.1	179.5	174.3	0	0	0	0	111	E692 V693 L694 I700 L746 L749 L751 L757	V690-E692 VanDerWaalsContact C-N 3.35Å; V690-E692 PolarHBondContact O-N 3.05Å; V690-V693 WeakPolarHBondContact O-CB 3.26Å; V690-V693 PolarHBondContact O-N 3.09Å; V690-L694 HydrophobicContact CG1-CD1 4.02Å; V690-L694 HydrophobicContact CG1-CG 4.31Å; V690-L694 VanDerWaalsContact O-CG 3.28Å; V690-L694 WeakPolarHBondContact O-CG 3.44Å; V690-L694 PolarHBondContact O-N 3.22Å; V690-I700 HydrophobicContact CG1-CD1 4.01Å; V690-I700 HydrophobicContact CG1-CG1 4.33Å; V690-L746 HydrophobicContact CG1-CD2 3.95Å; V690-L746 PolarHBondContact N-O 3.18Å; V690-L749 HydrophobicContact CB-CB 4.22Å; V690-L749 HydrophobicContact CG2-CB 3.77Å; V690-L749 WeakPolarHBondContact CG2-O 3.35Å; V690-L749 PolarHBondContact N-O 3.05Å; V690-L751 HydrophobicContact CG2-CB 4.37Å; V690-L757 HydrophobicContact CG2-CD1 3.93Å
691	A	92.8	Very high	94	Very high	17 Å²	17	43.1 Å²	43.1	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-48.5	173.2	0	0	0	0	0	112.3	P689 V693 L694 D695 L746 D747	P689-A691 PolarHBondContact O-N 2.92Å; A691-V693 PolarHBondContact O-N 2.93Å; A691-L694 PolarHBondContact O-N 3.4Å; A691-D695 PolarHBondContact O-N 2.87Å; A691-L746 HydrophobicContact CB-CB 3.93Å; A691-L746 PolarHBondContact N-O 3.32Å; A691-L746 VanDerWaalsContact N-O 3.14Å; A691-D747 WeakPolarHBondContact CB-OD1 3.39Å
692	E	93.9	Very high	93.8	Very high	103 Å²	103	45.8 Å²	45.8	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-67.4	-35.7	178.5	-176.4	178.9	168.5	0	0	112.2	V688 P689 V690 L694 D695 T696	V688-E692 HydrophobicContact CG1-CB 3.95Å; V688-E692 HydrophobicContact CG1-CG 3.95Å; P689-E692 HydrophobicContact CB-CB 4.43Å; P689-E692 PolarHBondContact O-N 3.27Å; P689-E692 VanDerWaalsContact O-N 3.09Å; V690-E692 VanDerWaalsContact C-N 3.35Å; V690-E692 PolarHBondContact O-N 3.05Å; E692-L694 VanDerWaalsContact C-N 3.31Å; E692-L694 PolarHBondContact O-N 3.38Å; E692-D695 PolarHBondContact O-N 3.16Å; E692-T696 HydrophobicContact CG-CG2 4.35Å; E692-T696 WeakPolarHBondContact O-CB 3.19Å; E692-T696 WeakPolarHBondContact O-CG2 3.39Å; E692-T696 PolarHBondContact O-N 3.1Å; E692-T696 PolarHBondContact O-OG1 3.32Å
693	V	93.6	Very high	93.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-42.1	173.9	170.8	0	0	0	0	111.3	V688 P689 V690 A691 T696 E697 F703	V688-V693 HydrophobicContact CB-CG2 4.03Å; V688-V693 HydrophobicContact CG1-CG2 3.8Å; P689-V693 WeakPolarHBondContact O-CG2 3.48Å; P689-V693 PolarHBondContact O-N 3.3Å; V690-V693 WeakPolarHBondContact O-CB 3.26Å; V690-V693 PolarHBondContact O-N 3.09Å; A691-V693 PolarHBondContact O-N 2.93Å; V693-T696 PolarHBondContact O-OG1 2.96Å; V693-E697 WeakPolarHBondContact O-CB 3.19Å; V693-E697 PolarHBondContact O-N 2.79Å; V693-F703 HydrophobicContact CG1-CB 3.54Å; V693-F703 HydrophobicContact CG1-CD1 4.49Å; V693-F703 HydrophobicContact CG1-CD2 3.96Å; V693-F703 HydrophobicContact CG1-CG 3.77Å; V693-F703 HydrophobicContact CG2-CD2 3.91Å; V693-F703 HydrophobicContact CG2-CE2 4.01Å; V693-F703 HydrophobicContact CG2-CG 4.27Å; V693-F703 HydrophobicContact CG2-CZ 4.46Å
694	L	93.1	Very high	93.6	Very high	38 Å²	38	43.3 Å²	43.3	20%	0.199	25%	0.245	C	C	.	.	H	α-helix	trans	-70.1	-40	178.7	-64.1	167.4	0	0	0	111.6	V690 A691 E692 T696 G698 L746 E782	V690-L694 HydrophobicContact CG1-CD1 4.02Å; V690-L694 HydrophobicContact CG1-CG 4.31Å; V690-L694 VanDerWaalsContact O-CG 3.28Å; V690-L694 WeakPolarHBondContact O-CG 3.44Å; V690-L694 PolarHBondContact O-N 3.22Å; A691-L694 PolarHBondContact O-N 3.4Å; E692-L694 VanDerWaalsContact C-N 3.31Å; E692-L694 PolarHBondContact O-N 3.38Å; L694-T696 VanDerWaalsContact C-N 3.33Å; L694-T696 PolarHBondContact O-N 3.27Å; L694-G698 WeakPolarHBondContact O-CA 3.42Å; L694-G698 PolarHBondContact O-N 3.39Å; L694-L746 HydrophobicContact CD1-CD1 3.76Å; L694-E782 HydrophobicContact CD1-CB 4.21Å; L694-E782 HydrophobicContact CD1-CG 3.73Å; L694-E782 HydrophobicContact CD2-CB 4.45Å; L694-E782 HydrophobicContact CD2-CG 4.31Å
695	D	92.6	Very high	93.4	Very high	143 Å²	143	46.2 Å²	46.2	77%	0.765	25%	0.254	S	S	*	.	H	α-helix	trans	-64.9	-36.3	177.5	-73.2	-14.8	0	0	0	112.5	A691 E692	A691-D695 PolarHBondContact O-N 2.87Å; E692-D695 PolarHBondContact O-N 3.16Å
696	T	92.7	Very high	93.3	Very high	87 Å²	87	50.2 Å²	50.2	53%	0.534	27%	0.271	S	S	.	.	H	α-helix	trans	-92	-41.1	-174.6	52.8	0	0	0	0	114.1	E692 V693 L694	E692-T696 HydrophobicContact CG-CG2 4.35Å; E692-T696 WeakPolarHBondContact O-CB 3.19Å; E692-T696 WeakPolarHBondContact O-CG2 3.39Å; E692-T696 PolarHBondContact O-N 3.1Å; E692-T696 PolarHBondContact O-OG1 3.32Å; V693-T696 PolarHBondContact O-OG1 2.96Å; L694-T696 VanDerWaalsContact C-N 3.33Å; L694-T696 PolarHBondContact O-N 3.27Å
697	E	92.3	Very high	93.1	Very high	46 Å²	46	48.3 Å²	48.3	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-113.3	-5.8	-173.6	-50.7	-63.3	162.5	0	0	113	V693 S699 N702 F703 K706	V693-E697 WeakPolarHBondContact O-CB 3.19Å; V693-E697 PolarHBondContact O-N 2.79Å; E697-S699 PolarHBondContact O-N 3Å; E697-N702 HydrophobicContact CB-CB 4.21Å; E697-N702 VanDerWaalsContact O-CB 3.27Å; E697-N702 WeakPolarHBondContact O-CB 3.42Å; E697-N702 PolarHBondContact O-ND2 3.03Å; E697-F703 HydrophobicContact CB-CB 4.26Å; E697-F703 HydrophobicContact CG-CB 4.09Å; E697-F703 HydrophobicContact CG-CD2 4.11Å; E697-K706 WeakPolarHBondContact OE1-CD 3.23Å; E697-K706 IonicContact OE1-NZ 2.9Å; E697-K706 PolarHBondContact OE1-NZ 3.35Å; E697-K706 WeakPolarHBondContact OE2-CD 3.33Å; E697-K706 IonicContact OE2-NZ 3.48Å; E697-K706 PolarHBondContact OE2-NZ 3.14Å
698	G	90.5	Very high	93	Very high	55 Å²	55	48.1 Å²	48.1	57%	0.567	26%	0.258	S	S	*	.	S	Bend	trans	76.5	-27.3	179.3	0	0	0	0	0	115.3	L694	L694-G698 WeakPolarHBondContact O-CA 3.42Å; L694-G698 PolarHBondContact O-N 3.39Å
699	S	92.9	Very high	92.8	Very high	32 Å²	32	51.2 Å²	51.2	22%	0.224	28%	0.279	C	S	.	.	S	Bend	trans	-154.3	154.9	175.7	69.6	0	0	0	0	112.4	E697 Q701 N702 F703	E697-S699 PolarHBondContact O-N 3Å; S699-Q701 PolarHBondContact O-N 3.42Å; S699-N702 PolarHBondContact O-N 2.78Å; S699-N702 WeakPolarHBondContact OG-CB 3.43Å; S699-N702 PolarHBondContact OG-N 3.41Å; S699-N702 VanDerWaalsContact OG-N 3.13Å; S699-N702 PolarHBondContact OG-ND2 3.1Å; S699-N702 PolarHBondContact OG-OD1 2.96Å; S699-F703 PolarHBondContact O-N 3.42Å
700	I	93.6	Very high	92.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-58.1	-37.2	173.9	-63.2	179.1	0	0	0	111	V690 F703 F704 Y725 L751 E782	V690-I700 HydrophobicContact CG1-CD1 4.01Å; V690-I700 HydrophobicContact CG1-CG1 4.33Å; I700-F703 WeakPolarHBondContact O-CB 3.47Å; I700-F703 PolarHBondContact O-N 3.42Å; I700-F704 HydrophobicContact CG2-CD2 3.92Å; I700-F704 HydrophobicContact CG2-CE2 3.42Å; I700-F704 VanDerWaalsContact CG2-CE2 3.42Å; I700-F704 HydrophobicContact CG2-CZ 3.89Å; I700-F704 WeakPolarHBondContact O-CD2 3.48Å; I700-F704 PolarHBondContact O-N 3.2Å; I700-Y725 HydrophobicContact CG2-CE2 4.17Å; I700-L751 HydrophobicContact CG2-CD2 3.89Å; I700-E782 WeakPolarHBondContact CD1-O 3.48Å
701	Q	92.7	Very high	92	Very high	28 Å²	28	61 Å²	61	13%	0.131	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-42.2	178	-66.7	-169.2	-8.9	0	0	112.7	S699 F703 F704 R705 N715 I717 E785 G786	S699-Q701 PolarHBondContact O-N 3.42Å; Q701-F703 VanDerWaalsContact C-N 3.29Å; Q701-F703 PolarHBondContact O-N 2.91Å; Q701-F704 PolarHBondContact O-N 3.04Å; Q701-R705 WeakPolarHBondContact O-CG 3.45Å; Q701-R705 PolarHBondContact O-N 3.04Å; Q701-N715 PolarHBondContact NE2-ND2 3.33Å; Q701-I717 HydrophobicContact CB-CD1 4.04Å; Q701-I717 HydrophobicContact CG-CD1 4.28Å; Q701-E785 PolarHBondContact NE2-O 2.93Å; Q701-E785 VanDerWaalsContact NE2-O 3.12Å; Q701-G786 WeakPolarHBondContact CG-O 3.45Å
702	N	92.9	Very high	91.6	Very high	57 Å²	57	68 Å²	68	31%	0.305	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-41.4	177.6	-70	-14.6	0	0	0	110.9	E697 S699 F704 R705 K706	E697-N702 HydrophobicContact CB-CB 4.21Å; E697-N702 VanDerWaalsContact O-CB 3.27Å; E697-N702 WeakPolarHBondContact O-CB 3.42Å; E697-N702 PolarHBondContact O-ND2 3.03Å; S699-N702 PolarHBondContact O-N 2.78Å; S699-N702 WeakPolarHBondContact OG-CB 3.43Å; S699-N702 PolarHBondContact OG-N 3.41Å; S699-N702 VanDerWaalsContact OG-N 3.13Å; S699-N702 PolarHBondContact OG-ND2 3.1Å; S699-N702 PolarHBondContact OG-OD1 2.96Å; N702-F704 PolarHBondContact O-N 3.27Å; N702-R705 PolarHBondContact O-N 3.45Å; N702-R705 VanDerWaalsContact OD1-CZ 3.29Å; N702-R705 PolarHBondContact OD1-NH1 2.72Å; N702-R705 PolarHBondContact OD1-NH2 3.12Å; N702-K706 WeakPolarHBondContact O-CB 3.17Å; N702-K706 PolarHBondContact O-N 3.02Å
703	F	93.9	Very high	90.9	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.022	34%	0.344	C	S	.	.	H	α-helix	trans	-57.6	-47.9	173.8	176.6	-93.1	0	0	0	111.8	V688 V693 E697 S699 I700 Q701 K706 Y707 L751 K753	V688-F703 HydrophobicContact CG2-CE2 4.47Å; V693-F703 HydrophobicContact CG1-CB 3.54Å; V693-F703 HydrophobicContact CG1-CD1 4.49Å; V693-F703 HydrophobicContact CG1-CD2 3.96Å; V693-F703 HydrophobicContact CG1-CG 3.77Å; V693-F703 HydrophobicContact CG2-CD2 3.91Å; V693-F703 HydrophobicContact CG2-CE2 4.01Å; V693-F703 HydrophobicContact CG2-CG 4.27Å; V693-F703 HydrophobicContact CG2-CZ 4.46Å; E697-F703 HydrophobicContact CB-CB 4.26Å; E697-F703 HydrophobicContact CG-CB 4.09Å; E697-F703 HydrophobicContact CG-CD2 4.11Å; S699-F703 PolarHBondContact O-N 3.42Å; I700-F703 WeakPolarHBondContact O-CB 3.47Å; I700-F703 PolarHBondContact O-N 3.42Å; Q701-F703 VanDerWaalsContact C-N 3.29Å; Q701-F703 PolarHBondContact O-N 2.91Å; F703-K706 WeakPolarHBondContact O-CB 3.07Å; F703-K706 PolarHBondContact O-N 3.04Å; F703-Y707 HydrophobicContact CD1-CD2 4.33Å; F703-Y707 AromaticContact CD2-CD2 3.94Å; F703-Y707 HydrophobicContact CD2-CD2 3.94Å; F703-Y707 AromaticContact CD2-CE2 3.62Å; F703-Y707 HydrophobicContact CD2-CE2 3.62Å; F703-Y707 HydrophobicContact CE1-CD2 4.14Å; F703-Y707 AromaticContact CE2-CD2 3.74Å; F703-Y707 HydrophobicContact CE2-CD2 3.74Å; F703-Y707 AromaticContact CE2-CE2 3.31Å; F703-Y707 HydrophobicContact CE2-CE2 3.31Å; F703-Y707 HydrophobicContact CG-CD2 4.22Å; F703-Y707 HydrophobicContact CG-CE2 4.35Å; F703-Y707 AromaticContact CZ-CD2 3.84Å; F703-Y707 HydrophobicContact CZ-CD2 3.84Å; F703-Y707 AromaticContact CZ-CE2 3.82Å; F703-Y707 HydrophobicContact CZ-CE2 3.82Å; F703-Y707 VanDerWaalsContact O-CD2 3.26Å; F703-Y707 WeakPolarHBondContact O-CD2 3.33Å; F703-Y707 PolarHBondContact O-N 3.16Å; F703-L751 HydrophobicContact CD1-CD2 3.79Å; F703-L751 HydrophobicContact CE1-CD2 3.91Å; F703-L751 HydrophobicContact CE1-CG 4.28Å; F703-K753 HydrophobicContact CZ-CG 4.26Å
704	F	94.1	Very high	90.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-37.8	176.5	-65.7	-35.4	0	0	0	113.4	I700 Q701 N702 K706 Y707 A708 I717 V721 M722 Y725 L751	I700-F704 HydrophobicContact CG2-CD2 3.92Å; I700-F704 HydrophobicContact CG2-CE2 3.42Å; I700-F704 VanDerWaalsContact CG2-CE2 3.42Å; I700-F704 HydrophobicContact CG2-CZ 3.89Å; I700-F704 WeakPolarHBondContact O-CD2 3.48Å; I700-F704 PolarHBondContact O-N 3.2Å; Q701-F704 PolarHBondContact O-N 3.04Å; N702-F704 PolarHBondContact O-N 3.27Å; F704-K706 PolarHBondContact O-N 3.22Å; F704-Y707 PolarHBondContact O-N 3.11Å; F704-A708 CarbonylContact O-C 3.53Å; F704-A708 WeakPolarHBondContact O-CA 3.3Å; F704-A708 PolarHBondContact O-N 3.41Å; F704-I717 HydrophobicContact CB-CD1 3.83Å; F704-I717 HydrophobicContact CB-CG1 3.98Å; F704-I717 HydrophobicContact CB-CG2 3.68Å; F704-I717 HydrophobicContact CD2-CD1 4.42Å; F704-I717 HydrophobicContact CG-CG2 4.48Å; F704-V721 HydrophobicContact CB-CG1 4.48Å; F704-V721 HydrophobicContact CD1-CG1 3.9Å; F704-V721 HydrophobicContact CE1-CG1 4.24Å; F704-V721 HydrophobicContact CG-CG1 4.11Å; F704-M722 HydrophobicContact CD2-CE 4.47Å; F704-Y725 HydrophobicContact CE2-CD1 4.15Å; F704-Y725 AromaticContact CE2-CD2 3.81Å; F704-Y725 HydrophobicContact CE2-CD2 3.81Å; F704-Y725 HydrophobicContact CE2-CE2 4.34Å; F704-Y725 AromaticContact CE2-CG 3.69Å; F704-Y725 HydrophobicContact CE2-CG 3.69Å; F704-Y725 AromaticContact CZ-CD2 3.7Å; F704-Y725 HydrophobicContact CZ-CD2 3.7Å; F704-Y725 HydrophobicContact CZ-CE2 4.36Å; F704-Y725 AromaticContact CZ-CG 3.95Å; F704-Y725 HydrophobicContact CZ-CG 3.95Å; F704-L751 HydrophobicContact CE1-CD1 4.02Å; F704-L751 HydrophobicContact CE1-CD2 3.69Å; F704-L751 HydrophobicContact CE1-CG 3.92Å; F704-L751 HydrophobicContact CZ-CD1 3.61Å; F704-L751 HydrophobicContact CZ-CD2 3.67Å; F704-L751 HydrophobicContact CZ-CG 3.96Å
705	R	92.7	Very high	89.5	Confident	96 Å²	96	66.8 Å²	66.8	36%	0.362	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-33.6	174.3	-75.8	-169.6	-118	110	8.9	112.3	Q701 N702 P709 N715 I717	Q701-R705 WeakPolarHBondContact O-CG 3.45Å; Q701-R705 PolarHBondContact O-N 3.04Å; N702-R705 PolarHBondContact O-N 3.45Å; N702-R705 VanDerWaalsContact OD1-CZ 3.29Å; N702-R705 PolarHBondContact OD1-NH1 2.72Å; N702-R705 PolarHBondContact OD1-NH2 3.12Å; R705-P709 WeakPolarHBondContact O-CB 3.44Å; R705-P709 WeakPolarHBondContact O-CD 3.33Å; R705-N715 WeakPolarHBondContact CD-O 3.49Å; R705-N715 PolarHBondContact NE-O 2.84Å; R705-I717 HydrophobicContact CB-CG1 4.49Å; R705-I717 HydrophobicContact CG-CD1 4.22Å; R705-I717 HydrophobicContact CG-CG1 3.48Å; R705-I717 VanDerWaalsContact CG-CG1 3.48Å
706	K	92.1	Very high	89.2	Confident	121 Å²	121	61.4 Å²	61.4	53%	0.526	34%	0.342	S	S	.	.	H	α-helix	trans	-69	-40.1	177.4	-178.6	175.2	-179.7	173	0	113	E697 N702 F703 F704	E697-K706 WeakPolarHBondContact OE1-CD 3.23Å; E697-K706 IonicContact OE1-NZ 2.9Å; E697-K706 PolarHBondContact OE1-NZ 3.35Å; E697-K706 WeakPolarHBondContact OE2-CD 3.33Å; E697-K706 IonicContact OE2-NZ 3.48Å; E697-K706 PolarHBondContact OE2-NZ 3.14Å; N702-K706 WeakPolarHBondContact O-CB 3.17Å; N702-K706 PolarHBondContact O-N 3.02Å; F703-K706 WeakPolarHBondContact O-CB 3.07Å; F703-K706 PolarHBondContact O-N 3.04Å; F704-K706 PolarHBondContact O-N 3.22Å
707	Y	91.1	Very high	89.1	Confident	98 Å²	98	57.3 Å²	57.3	38%	0.384	32%	0.316	S	S	.	.	H	α-helix	trans	-98	-23.2	-174.8	-68.7	-69.1	0	0	0	114.5	F703 F704 K753	F703-Y707 HydrophobicContact CD1-CD2 4.33Å; F703-Y707 AromaticContact CD2-CD2 3.94Å; F703-Y707 HydrophobicContact CD2-CD2 3.94Å; F703-Y707 AromaticContact CD2-CE2 3.62Å; F703-Y707 HydrophobicContact CD2-CE2 3.62Å; F703-Y707 HydrophobicContact CE1-CD2 4.14Å; F703-Y707 AromaticContact CE2-CD2 3.74Å; F703-Y707 HydrophobicContact CE2-CD2 3.74Å; F703-Y707 AromaticContact CE2-CE2 3.31Å; F703-Y707 HydrophobicContact CE2-CE2 3.31Å; F703-Y707 HydrophobicContact CG-CD2 4.22Å; F703-Y707 HydrophobicContact CG-CE2 4.35Å; F703-Y707 AromaticContact CZ-CD2 3.84Å; F703-Y707 HydrophobicContact CZ-CD2 3.84Å; F703-Y707 AromaticContact CZ-CE2 3.82Å; F703-Y707 HydrophobicContact CZ-CE2 3.82Å; F703-Y707 VanDerWaalsContact O-CD2 3.26Å; F703-Y707 WeakPolarHBondContact O-CD2 3.33Å; F703-Y707 PolarHBondContact O-N 3.16Å; F704-Y707 PolarHBondContact O-N 3.11Å; Y707-K753 HydrophobicContact CD1-CD 3.84Å; Y707-K753 HydrophobicContact CD1-CG 4.19Å; Y707-K753 HydrophobicContact CD2-CG 4.3Å; Y707-K753 HydrophobicContact CE1-CD 3.99Å; Y707-K753 HydrophobicContact CG-CB 4.42Å; Y707-K753 HydrophobicContact CG-CD 4.25Å; Y707-K753 HydrophobicContact CG-CG 4.09Å
708	A	91.4	Very high	89.2	Confident	18 Å²	18	56.6 Å²	56.6	15%	0.149	32%	0.317	C	S	.	.	S	Bend	trans	-146	61.9	-178	0	0	0	0	0	112.3	F704 S718 V721	F704-A708 CarbonylContact O-C 3.53Å; F704-A708 WeakPolarHBondContact O-CA 3.3Å; F704-A708 PolarHBondContact O-N 3.41Å; A708-S718 PolarHBondContact O-N 3.18Å; A708-V721 HydrophobicContact CB-CB 4.38Å; A708-V721 HydrophobicContact CB-CG1 4.48Å; A708-V721 HydrophobicContact CB-CG2 3.76Å
709	P	91.5	Very high	89.3	Confident	95 Å²	95	56.9 Å²	56.9	62%	0.617	31%	0.313	S	S	*	.	B	Isolated β-bridge	trans	-66.9	144.9	178.2	27.5	-32.8	0	0	0	111.9	R705	R705-P709 WeakPolarHBondContact O-CB 3.44Å; R705-P709 WeakPolarHBondContact O-CD 3.33Å
710	S	90.2	Very high	89.3	Confident	44 Å²	44	62.3 Å²	62.3	31%	0.308	34%	0.335	S	S	.	.			trans	-150.6	128.1	171.8	-173	0	0	0	0	111.1	G713 G716	S710-G713 PolarHBondContact O-N 3.2Å; S710-G716 PolarHBondContact N-O 3.44Å; S710-G716 CarbonylContact O-C 3.08Å; S710-G716 VanDerWaalsContact O-CA 3.25Å; S710-G716 WeakPolarHBondContact O-CA 3.32Å
711	E	81.6	Confident	89.4	Confident	195 Å²	195	62.9 Å²	62.9	91%	0.911	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.8	-179.2	-65	-176.4	169.7	0	0	112.9
712	N	83.2	Confident	89.5	Confident	164 Å²	164	61.7 Å²	61.7	88%	0.877	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	3.4	-179.2	-63.2	-26.3	0	0	0	112.9
713	G	79.7	Confident	89.6	Confident	12 Å²	12	61.8 Å²	61.8	12%	0.124	33%	0.334	C	S	.	.	S	Bend	trans	-92.7	156.2	-174.3	0	0	0	0	0	113.2	S710 N715 G716 I717	S710-G713 PolarHBondContact O-N 3.2Å; G713-N715 PolarHBondContact O-N 2.64Å; G713-G716 PolarHBondContact O-N 3.14Å; G713-G716 VanDerWaalsContact O-N 3.07Å; G713-I717 CarbonylContact C-O 3.51Å; G713-I717 WeakPolarHBondContact CA-O 3.4Å
714	P	78.2	Confident	89.8	Confident	34 Å²	34	62.1 Å²	62.1	22%	0.221	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-57.8	127.8	179.9	25.2	-34.6	0	0	0	111	G716 I717 M722 Q794	P714-G716 PolarHBondContact O-N 3.3Å; P714-G716 VanDerWaalsContact O-N 3.17Å; P714-I717 WeakPolarHBondContact CD-O 3.25Å; P714-I717 WeakPolarHBondContact O-CB 3.45Å; P714-I717 PolarHBondContact O-N 3.19Å; P714-I717 VanDerWaalsContact O-N 3.09Å; P714-M722 HydrophobicContact CG-CB 3.94Å; P714-M722 HydrophobicContact CG-CG 3.96Å; P714-Q794 VanDerWaalsContact CB-NE2 3.33Å
715	N	79.9	Confident	89.9	Confident	70 Å²	70	62.1 Å²	62.1	37%	0.374	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	56.1	26.3	-177.8	-55.4	-51.5	0	0	0	114.6	Q701 R705 G713 I717	Q701-N715 PolarHBondContact NE2-ND2 3.33Å; R705-N715 WeakPolarHBondContact CD-O 3.49Å; R705-N715 PolarHBondContact NE-O 2.84Å; G713-N715 PolarHBondContact O-N 2.64Å; N715-I717 VanDerWaalsContact C-N 3.34Å; N715-I717 HydrophobicContact CB-CD1 4.32Å
716	G	86	Confident	90.1	Very high	30 Å²	30	57.8 Å²	57.8	31%	0.309	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	77.6	16.2	-178.5	0	0	0	0	0	114.4	S710 G713 P714	S710-G716 PolarHBondContact N-O 3.44Å; S710-G716 CarbonylContact O-C 3.08Å; S710-G716 VanDerWaalsContact O-CA 3.25Å; S710-G716 WeakPolarHBondContact O-CA 3.32Å; G713-G716 PolarHBondContact O-N 3.14Å; G713-G716 VanDerWaalsContact O-N 3.07Å; P714-G716 PolarHBondContact O-N 3.3Å; P714-G716 VanDerWaalsContact O-N 3.17Å
717	I	91.3	Very high	90.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-115.9	144.4	-173.9	-60.5	160.6	0	0	0	109.2	Q701 F704 R705 G713 P714 N715 A719 V721 M722	Q701-I717 HydrophobicContact CB-CD1 4.04Å; Q701-I717 HydrophobicContact CG-CD1 4.28Å; F704-I717 HydrophobicContact CB-CD1 3.83Å; F704-I717 HydrophobicContact CB-CG1 3.98Å; F704-I717 HydrophobicContact CB-CG2 3.68Å; F704-I717 HydrophobicContact CD2-CD1 4.42Å; F704-I717 HydrophobicContact CG-CG2 4.48Å; R705-I717 HydrophobicContact CB-CG1 4.49Å; R705-I717 HydrophobicContact CG-CD1 4.22Å; R705-I717 HydrophobicContact CG-CG1 3.48Å; R705-I717 VanDerWaalsContact CG-CG1 3.48Å; G713-I717 CarbonylContact C-O 3.51Å; G713-I717 WeakPolarHBondContact CA-O 3.4Å; P714-I717 WeakPolarHBondContact CD-O 3.25Å; P714-I717 WeakPolarHBondContact O-CB 3.45Å; P714-I717 PolarHBondContact O-N 3.19Å; P714-I717 VanDerWaalsContact O-N 3.09Å; N715-I717 VanDerWaalsContact C-N 3.34Å; N715-I717 HydrophobicContact CB-CD1 4.32Å; I717-A719 PolarHBondContact O-N 2.89Å; I717-V721 HydrophobicContact CG2-CB 4.38Å; I717-V721 HydrophobicContact CG2-CG1 4.29Å; I717-M722 HydrophobicContact CB-CE 4.25Å; I717-M722 HydrophobicContact CD1-CE 3.41Å; I717-M722 VanDerWaalsContact CD1-CE 3.41Å; I717-M722 HydrophobicContact CG1-CE 4.42Å; I717-M722 HydrophobicContact CG2-CE 4.25Å
718	S	93.3	Very high	90.7	Very high	32 Å²	32	49.4 Å²	49.4	22%	0.224	29%	0.286	C	S	.	.			trans	-48.3	128	171.9	177	0	0	0	0	112.1	A708 E720 V721 M722	A708-S718 PolarHBondContact O-N 3.18Å; S718-E720 PolarHBondContact O-N 2.82Å; S718-V721 PolarHBondContact O-N 3.38Å; S718-V721 VanDerWaalsContact O-N 3.14Å; S718-M722 PolarHBondContact O-N 2.82Å
719	A	92.5	Very high	90.9	Very high	60 Å²	60	48.6 Å²	48.6	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-35.4	-179.9	0	0	0	0	0	112.5	I717 M722 D723	I717-A719 PolarHBondContact O-N 2.89Å; A719-M722 PolarHBondContact O-N 2.97Å; A719-D723 VanDerWaalsContact O-CB 3.26Å; A719-D723 WeakPolarHBondContact O-CB 3.47Å; A719-D723 PolarHBondContact O-N 3.28Å
720	E	94.1	Very high	91.2	Very high	147 Å²	147	44 Å²	44	69%	0.687	25%	0.25	S	C	*	.	H	α-helix	trans	-65.3	-40.6	177.5	-175.6	-176.6	179.1	0	0	112.5	S718 T724	S718-E720 PolarHBondContact O-N 2.82Å; E720-T724 WeakPolarHBondContact O-CB 3.49Å; E720-T724 PolarHBondContact O-N 2.82Å; E720-T724 PolarHBondContact O-OG1 2.91Å
721	V	95.1	Very high	91.5	Very high	14 Å²	14	42 Å²	42	9%	0.085	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-42.1	179.4	171.3	0	0	0	0	110.2	F704 A708 I717 S718 T724 Y725	F704-V721 HydrophobicContact CB-CG1 4.48Å; F704-V721 HydrophobicContact CD1-CG1 3.9Å; F704-V721 HydrophobicContact CE1-CG1 4.24Å; F704-V721 HydrophobicContact CG-CG1 4.11Å; A708-V721 HydrophobicContact CB-CB 4.38Å; A708-V721 HydrophobicContact CB-CG1 4.48Å; A708-V721 HydrophobicContact CB-CG2 3.76Å; I717-V721 HydrophobicContact CG2-CB 4.38Å; I717-V721 HydrophobicContact CG2-CG1 4.29Å; S718-V721 PolarHBondContact O-N 3.38Å; S718-V721 VanDerWaalsContact O-N 3.14Å; V721-T724 PolarHBondContact O-N 2.89Å; V721-Y725 WeakPolarHBondContact O-CB 3.42Å; V721-Y725 PolarHBondContact O-N 3.46Å
722	M	94.9	Very high	92.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-42.5	176.2	-171.9	57.6	64	0	0	111.9	F704 P714 I717 S718 A719 Y725 V726 Q794	F704-M722 HydrophobicContact CD2-CE 4.47Å; P714-M722 HydrophobicContact CG-CB 3.94Å; P714-M722 HydrophobicContact CG-CG 3.96Å; I717-M722 HydrophobicContact CB-CE 4.25Å; I717-M722 HydrophobicContact CD1-CE 3.41Å; I717-M722 VanDerWaalsContact CD1-CE 3.41Å; I717-M722 HydrophobicContact CG1-CE 4.42Å; I717-M722 HydrophobicContact CG2-CE 4.25Å; S718-M722 PolarHBondContact O-N 2.82Å; A719-M722 PolarHBondContact O-N 2.97Å; M722-Y725 PolarHBondContact O-N 2.75Å; M722-Y725 HydrophobicContact SD-CD1 4.15Å; M722-V726 WeakPolarHBondContact O-CB 3.47Å; M722-V726 VanDerWaalsContact O-CG2 3.31Å; M722-V726 WeakPolarHBondContact O-CG2 3.35Å; M722-V726 PolarHBondContact O-N 2.86Å; M722-V726 HydrophobicContact SD-CG2 4.47Å; M722-Q794 HydrophobicContact CG-CG 3.82Å; M722-Q794 HydrophobicContact SD-CG 4.44Å
723	D	95.4	Very high	92.7	Very high	59 Å²	59	24.9 Å²	24.9	32%	0.316	15%	0.15	S	C	.	.	H	α-helix	trans	-60.2	-44.9	173.9	176.9	70.5	0	0	0	111.6	A719 Y725 V726 K727	A719-D723 VanDerWaalsContact O-CB 3.26Å; A719-D723 WeakPolarHBondContact O-CB 3.47Å; A719-D723 PolarHBondContact O-N 3.28Å; D723-Y725 VanDerWaalsContact C-N 3.31Å; D723-Y725 PolarHBondContact O-N 3.37Å; D723-V726 PolarHBondContact O-N 2.87Å; D723-K727 VanDerWaalsContact O-CB 3.32Å; D723-K727 WeakPolarHBondContact O-CB 3.47Å; D723-K727 WeakPolarHBondContact O-CG 3.35Å; D723-K727 PolarHBondContact O-N 3.46Å; D723-K727 WeakPolarHBondContact OD1-CE 3.44Å; D723-K727 IonicContact OD1-NZ 3.68Å; D723-K727 PolarHBondContact OD1-NZ 3.23Å; D723-K727 WeakPolarHBondContact OD2-CD 3.31Å; D723-K727 WeakPolarHBondContact OD2-CE 3.25Å; D723-K727 IonicContact OD2-NZ 3.01Å; D723-K727 PolarHBondContact OD2-NZ 3.29Å
724	T	97.1	Very high	93.5	Very high	13 Å²	13	24.3 Å²	24.3	8%	0.08	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-41.3	175.9	-62.1	0	0	0	0	111.7	K666 E720 V721 S728 K756	K666-T724 HydrophobicContact CB-CG2 4.03Å; K666-T724 HydrophobicContact CG-CG2 4.27Å; E720-T724 WeakPolarHBondContact O-CB 3.49Å; E720-T724 PolarHBondContact O-N 2.82Å; E720-T724 PolarHBondContact O-OG1 2.91Å; V721-T724 PolarHBondContact O-N 2.89Å; T724-S728 VanDerWaalsContact O-CB 3.28Å; T724-S728 WeakPolarHBondContact O-CB 3.47Å; T724-S728 PolarHBondContact O-N 3.17Å; T724-S728 PolarHBondContact O-OG 3.35Å; T724-K756 HydrophobicContact CG2-CB 4.42Å; T724-K756 HydrophobicContact CG2-CG 3.54Å
725	Y	96.9	Very high	94.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-49.1	176.5	175.7	-106.8	0	0	0	112.4	I700 F704 V721 M722 D723 K727 S728 C729 L751 G755 L757 M783 M787	I700-Y725 HydrophobicContact CG2-CE2 4.17Å; F704-Y725 HydrophobicContact CE2-CD1 4.15Å; F704-Y725 AromaticContact CE2-CD2 3.81Å; F704-Y725 HydrophobicContact CE2-CD2 3.81Å; F704-Y725 HydrophobicContact CE2-CE2 4.34Å; F704-Y725 AromaticContact CE2-CG 3.69Å; F704-Y725 HydrophobicContact CE2-CG 3.69Å; F704-Y725 AromaticContact CZ-CD2 3.7Å; F704-Y725 HydrophobicContact CZ-CD2 3.7Å; F704-Y725 HydrophobicContact CZ-CE2 4.36Å; F704-Y725 AromaticContact CZ-CG 3.95Å; F704-Y725 HydrophobicContact CZ-CG 3.95Å; V721-Y725 WeakPolarHBondContact O-CB 3.42Å; V721-Y725 PolarHBondContact O-N 3.46Å; M722-Y725 PolarHBondContact O-N 2.75Å; M722-Y725 HydrophobicContact SD-CD1 4.15Å; D723-Y725 VanDerWaalsContact C-N 3.31Å; D723-Y725 PolarHBondContact O-N 3.37Å; Y725-K727 PolarHBondContact O-N 3.11Å; Y725-S728 PolarHBondContact O-N 3.4Å; Y725-S728 PolarHBondContact O-OG 3.08Å; Y725-C729 WeakPolarHBondContact O-CB 3.18Å; Y725-C729 PolarHBondContact O-N 3.01Å; Y725-L751 HydrophobicContact CD2-CD1 3.9Å; Y725-L751 HydrophobicContact CE2-CD1 4.09Å; Y725-G755 WeakPolarHBondContact CA-O 3.28Å; Y725-G755 VanDerWaalsContact CB-O 3.31Å; Y725-G755 WeakPolarHBondContact CB-O 3.23Å; Y725-G755 PolarHBondContact N-O 3.12Å; Y725-L757 HydrophobicContact CD2-CB 4.21Å; Y725-L757 HydrophobicContact CE2-CB 4.22Å; Y725-L757 HydrophobicContact CE2-CD1 4.47Å; Y725-L757 HydrophobicContact CE2-CD2 4.3Å; Y725-M783 VanDerWaalsContact OH-CA 3.23Å; Y725-M783 WeakPolarHBondContact OH-CA 3.35Å; Y725-M783 PolarHBondContact OH-O 3.22Å; Y725-M787 HydrophobicContact CD1-CG 4.34Å; Y725-M787 HydrophobicContact CE1-CE 4.3Å; Y725-M787 HydrophobicContact CE1-CG 3.81Å
726	V	97	Very high	95	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-47.6	178	166.8	0	0	0	0	111.1	M722 D723 A730 M787 Q794 E797 F798	M722-V726 WeakPolarHBondContact O-CB 3.47Å; M722-V726 VanDerWaalsContact O-CG2 3.31Å; M722-V726 WeakPolarHBondContact O-CG2 3.35Å; M722-V726 PolarHBondContact O-N 2.86Å; M722-V726 HydrophobicContact SD-CG2 4.47Å; D723-V726 PolarHBondContact O-N 2.87Å; V726-A730 WeakPolarHBondContact O-CB 3.4Å; V726-A730 PolarHBondContact O-N 3.33Å; V726-M787 HydrophobicContact CG2-CG 4.25Å; V726-Q794 HydrophobicContact CG2-CB 3.92Å; V726-Q794 HydrophobicContact CG2-CG 4.49Å; V726-E797 HydrophobicContact CG1-CB 4.46Å; V726-E797 HydrophobicContact CG1-CG 4.41Å; V726-F798 HydrophobicContact CG1-CB 3.98Å
727	K	97.7	Very high	95.4	Very high	43 Å²	43	18.5 Å²	18.5	19%	0.187	10%	0.104	C	C	.	.	H	α-helix	trans	-65	-48.9	-179.9	-78.1	174.2	177	162	0	112.8	L665 K666 D723 Y725 C729 A730 G731	L665-K727 CarbonylContact O-C 3.53Å; K666-K727 HydrophobicContact CG-CB 4.3Å; K666-K727 HydrophobicContact CG-CD 4.31Å; D723-K727 VanDerWaalsContact O-CB 3.32Å; D723-K727 WeakPolarHBondContact O-CB 3.47Å; D723-K727 WeakPolarHBondContact O-CG 3.35Å; D723-K727 PolarHBondContact O-N 3.46Å; D723-K727 WeakPolarHBondContact OD1-CE 3.44Å; D723-K727 IonicContact OD1-NZ 3.68Å; D723-K727 PolarHBondContact OD1-NZ 3.23Å; D723-K727 WeakPolarHBondContact OD2-CD 3.31Å; D723-K727 WeakPolarHBondContact OD2-CE 3.25Å; D723-K727 IonicContact OD2-NZ 3.01Å; D723-K727 PolarHBondContact OD2-NZ 3.29Å; Y725-K727 PolarHBondContact O-N 3.11Å; K727-C729 VanDerWaalsContact C-N 3.34Å; K727-C729 PolarHBondContact O-N 2.66Å; K727-A730 PolarHBondContact O-N 3.29Å; K727-G731 PolarHBondContact O-N 3.04Å
728	S	97.4	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-39.6	-179.7	58.3	0	0	0	0	111.5	L665 T724 Y725 G731 Y732 L757	L665-S728 WeakPolarHBondContact O-CA 3.47Å; L665-S728 PolarHBondContact O-N 3.37Å; T724-S728 VanDerWaalsContact O-CB 3.28Å; T724-S728 WeakPolarHBondContact O-CB 3.47Å; T724-S728 PolarHBondContact O-N 3.17Å; T724-S728 PolarHBondContact O-OG 3.35Å; Y725-S728 PolarHBondContact O-N 3.4Å; Y725-S728 PolarHBondContact O-OG 3.08Å; S728-G731 PolarHBondContact O-N 3.31Å; S728-Y732 WeakPolarHBondContact O-CD2 3.1Å; S728-Y732 PolarHBondContact O-N 2.94Å; S728-L757 WeakPolarHBondContact CB-O 3.28Å; S728-L757 PolarHBondContact OG-N 2.95Å
729	C	96.3	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-48	172.8	-172	0	0	0	0	112.1	Y725 K727 G731 C733 L757 M783 M787 F798	Y725-C729 WeakPolarHBondContact O-CB 3.18Å; Y725-C729 PolarHBondContact O-N 3.01Å; K727-C729 VanDerWaalsContact C-N 3.34Å; K727-C729 PolarHBondContact O-N 2.66Å; C729-G731 PolarHBondContact O-N 2.87Å; C729-C733 WeakPolarHBondContact O-CB 3.42Å; C729-C733 PolarHBondContact O-N 3.07Å; C729-C733 PolarHBondContact O-SG 2.79Å; C729-L757 HydrophobicContact CB-CD2 4Å; C729-M783 WeakPolarHBondContact SG-CE 3.42Å; C729-M787 HydrophobicContact CB-CE 3.7Å; C729-M787 WeakPolarHBondContact SG-CE 3.42Å; C729-F798 HydrophobicContact CB-CD2 4.44Å; C729-F798 HydrophobicContact CB-CE2 4.36Å
730	A	96.8	Very high	95.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.5	-47.1	178.2	0	0	0	0	0	111.9	V726 K727 C733 V734 F798 Q801	V726-A730 WeakPolarHBondContact O-CB 3.4Å; V726-A730 PolarHBondContact O-N 3.33Å; K727-A730 PolarHBondContact O-N 3.29Å; A730-C733 PolarHBondContact O-N 3.27Å; A730-V734 WeakPolarHBondContact O-CG2 3.47Å; A730-V734 PolarHBondContact O-N 3.2Å; A730-V734 VanDerWaalsContact O-N 3.09Å; A730-F798 VanDerWaalsContact CA-CE2 3.5Å; A730-F798 HydrophobicContact CB-CD2 3.73Å; A730-F798 HydrophobicContact CB-CE2 4.02Å; A730-Q801 HydrophobicContact CB-CB 3.65Å
731	G	96.6	Very high	95.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.7	-49	179.7	0	0	0	0	0	113.2	L665 K727 S728 C729 C733 V734 I735	L665-G731 VanDerWaalsContact CD1-CA 3.44Å; K727-G731 PolarHBondContact O-N 3.04Å; S728-G731 PolarHBondContact O-N 3.31Å; C729-G731 PolarHBondContact O-N 2.87Å; G731-C733 PolarHBondContact O-N 3.01Å; G731-V734 PolarHBondContact O-N 2.83Å; G731-I735 WeakPolarHBondContact O-CB 3.26Å; G731-I735 VanDerWaalsContact O-CG1 3.25Å; G731-I735 WeakPolarHBondContact O-CG1 3.21Å; G731-I735 PolarHBondContact O-N 3.14Å
732	Y	96.1	Very high	94.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67	-34.8	177.8	-82.4	-76.8	0	0	0	112.9	I651 L667 T668 S728 T736 L757 F758 H759	I651-Y732 HydrophobicContact CD1-CE1 4.48Å; I651-Y732 HydrophobicContact CG2-CE1 4.43Å; L667-Y732 HydrophobicContact CB-CE2 4.45Å; L667-Y732 HydrophobicContact CD2-CD2 3.59Å; L667-Y732 HydrophobicContact CD2-CE2 3.59Å; L667-Y732 HydrophobicContact CD2-CG 4.17Å; T668-Y732 PolarHBondContact N-OH 2.52Å; T668-Y732 PolarHBondContact O-OH 3.23Å; S728-Y732 WeakPolarHBondContact O-CD2 3.1Å; S728-Y732 PolarHBondContact O-N 2.94Å; Y732-T736 VanDerWaalsContact O-CB 3.24Å; Y732-T736 WeakPolarHBondContact O-CB 3.31Å; Y732-T736 WeakPolarHBondContact O-CG2 3.21Å; Y732-T736 PolarHBondContact O-N 3.04Å; Y732-T736 PolarHBondContact O-OG1 3.35Å; Y732-L757 WeakPolarHBondContact CD2-O 3.49Å; Y732-L757 WeakPolarHBondContact CE2-O 3.16Å; Y732-F758 HydrophobicContact CD2-CB 4.27Å; Y732-F758 HydrophobicContact CE1-CB 4.33Å; Y732-F758 VanDerWaalsContact CE2-CA 3.47Å; Y732-F758 HydrophobicContact CE2-CB 3.44Å; Y732-F758 VanDerWaalsContact CE2-CB 3.44Å; Y732-F758 VanDerWaalsContact CZ-CB 3.49Å; Y732-F758 WeakPolarHBondContact OH-CB 3.48Å; Y732-H759 HydrophobicContact CD1-CB 4.13Å; Y732-H759 AromaticContact CD1-CD2 3.94Å; Y732-H759 HydrophobicContact CE1-CB 4.41Å; Y732-H759 AromaticContact CG-CD2 3.83Å
733	C	95	Very high	94.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.7	-45.9	174.4	-76.2	0	0	0	0	112	C729 A730 G731 T736 Y737 M777 F798	C729-C733 WeakPolarHBondContact O-CB 3.42Å; C729-C733 PolarHBondContact O-N 3.07Å; C729-C733 PolarHBondContact O-SG 2.79Å; A730-C733 PolarHBondContact O-N 3.27Å; G731-C733 PolarHBondContact O-N 3.01Å; C733-T736 PolarHBondContact O-OG1 3.41Å; C733-Y737 WeakPolarHBondContact O-CB 3.32Å; C733-Y737 PolarHBondContact O-N 3.2Å; C733-Y737 VanDerWaalsContact O-N 3.15Å; C733-M777 HydrophobicContact CB-CE 3.81Å; C733-M777 HydrophobicContact CB-CG 4.47Å; C733-M777 HydrophobicContact CB-SD 4.16Å; C733-F798 HydrophobicContact CB-CE2 4.44Å; C733-F798 HydrophobicContact CB-CZ 4.36Å
734	V	96.6	Very high	93.7	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-68	-46.7	178.3	174.8	0	0	0	0	111.4	A730 G731 Y737 I738 C802 A805 F806 L809 M859	A730-V734 WeakPolarHBondContact O-CG2 3.47Å; A730-V734 PolarHBondContact O-N 3.2Å; A730-V734 VanDerWaalsContact O-N 3.09Å; G731-V734 PolarHBondContact O-N 2.83Å; V734-Y737 WeakPolarHBondContact O-CB 3.25Å; V734-Y737 PolarHBondContact O-N 3.25Å; V734-I738 HydrophobicContact CG1-CD1 3.82Å; V734-I738 WeakPolarHBondContact O-CG1 3.39Å; V734-I738 PolarHBondContact O-N 3.35Å; V734-C802 HydrophobicContact CG2-CB 3.84Å; V734-C802 WeakPolarHBondContact CG2-O 3.2Å; V734-A805 HydrophobicContact CG1-CB 4.48Å; V734-A805 HydrophobicContact CG2-CB 4.36Å; V734-F806 HydrophobicContact CG1-CB 4.09Å; V734-F806 HydrophobicContact CG1-CD2 4.26Å; V734-L809 HydrophobicContact CG1-CD1 4.09Å; V734-M859 HydrophobicContact CG2-CE 4.47Å
735	I	95.5	Very high	93.2	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-66.2	-43.6	-177	-67.1	170.7	0	0	0	111.3	I651 M654 L667 G731 Y737 I738 L739 L809	I651-I735 HydrophobicContact CG1-CG2 3.78Å; I651-I735 HydrophobicContact CG2-CD1 4.36Å; M654-I735 HydrophobicContact CB-CD1 4.07Å; M654-I735 HydrophobicContact CB-CG1 4.43Å; M654-I735 HydrophobicContact SD-CB 4.15Å; M654-I735 HydrophobicContact SD-CD1 4.24Å; M654-I735 HydrophobicContact SD-CG1 3.73Å; M654-I735 HydrophobicContact SD-CG2 3.57Å; M654-I735 VanDerWaalsContact SD-CG2 3.57Å; L667-I735 HydrophobicContact CD1-CD1 3.43Å; L667-I735 VanDerWaalsContact CD1-CD1 3.43Å; L667-I735 HydrophobicContact CD2-CD1 4.35Å; G731-I735 WeakPolarHBondContact O-CB 3.26Å; G731-I735 VanDerWaalsContact O-CG1 3.25Å; G731-I735 WeakPolarHBondContact O-CG1 3.21Å; G731-I735 PolarHBondContact O-N 3.14Å; I735-Y737 VanDerWaalsContact C-N 3.28Å; I735-Y737 PolarHBondContact O-N 3.44Å; I735-I738 PolarHBondContact O-N 3.42Å; I735-L739 HydrophobicContact CG2-CD1 3.74Å; I735-L739 HydrophobicContact CG2-CG 4.22Å; I735-L739 WeakPolarHBondContact O-CB 3.34Å; I735-L739 WeakPolarHBondContact O-CG 3.37Å; I735-L739 PolarHBondContact O-N 2.89Å; I735-L809 HydrophobicContact CG1-CD1 4.17Å
736	T	93.8	Very high	92.7	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	5%	0.053	C	C	.	.	H	α-helix	trans	-67.2	-30.6	178.1	57.8	0	0	0	0	112.4	Y732 C733 G740 V741 H759	Y732-T736 VanDerWaalsContact O-CB 3.24Å; Y732-T736 WeakPolarHBondContact O-CB 3.31Å; Y732-T736 WeakPolarHBondContact O-CG2 3.21Å; Y732-T736 PolarHBondContact O-N 3.04Å; Y732-T736 PolarHBondContact O-OG1 3.35Å; C733-T736 PolarHBondContact O-OG1 3.41Å; T736-G740 WeakPolarHBondContact O-CA 3.42Å; T736-G740 PolarHBondContact O-N 2.8Å; T736-V741 HydrophobicContact CG2-CB 4.2Å; T736-V741 HydrophobicContact CG2-CG2 4.27Å; T736-V741 PolarHBondContact O-N 3.37Å; T736-H759 WeakPolarHBondContact CG2-ND1 3.49Å
737	Y	94.4	Very high	92.3	Very high	7 Å²	7	14.1 Å²	14.1	3%	0.027	7%	0.074	C	C	.	.	H	α-helix	trans	-64.9	-50.1	170.4	166.6	-100.2	0	0	0	111.9	C733 V734 I735 L739 G740 F806 K845 Y858 M859 L862	C733-Y737 WeakPolarHBondContact O-CB 3.32Å; C733-Y737 PolarHBondContact O-N 3.2Å; C733-Y737 VanDerWaalsContact O-N 3.15Å; V734-Y737 WeakPolarHBondContact O-CB 3.25Å; V734-Y737 PolarHBondContact O-N 3.25Å; I735-Y737 VanDerWaalsContact C-N 3.28Å; I735-Y737 PolarHBondContact O-N 3.44Å; Y737-L739 PolarHBondContact O-N 3.41Å; Y737-G740 PolarHBondContact O-N 3.26Å; Y737-F806 HydrophobicContact CD1-CE2 4.45Å; Y737-F806 AromaticContact CE1-CE2 3.99Å; Y737-F806 HydrophobicContact CE1-CE2 3.99Å; Y737-K845 HydrophobicContact CD2-CD 4.32Å; Y737-K845 HydrophobicContact CE1-CB 4.26Å; Y737-K845 HydrophobicContact CE1-CD 4.32Å; Y737-K845 WeakPolarHBondContact CE1-O 3.03Å; Y737-K845 HydrophobicContact CE2-CD 3.72Å; Y737-K845 PolarHBondContact OH-O 3.36Å; Y737-Y858 WeakPolarHBondContact OH-CE1 3.49Å; Y737-Y858 PolarHBondContact OH-OH 3.33Å; Y737-Y858 VanDerWaalsContact OH-OH 3.1Å; Y737-M859 HydrophobicContact CD1-CE 4.5Å; Y737-M859 HydrophobicContact CD1-SD 4.33Å; Y737-M859 HydrophobicContact CE1-SD 4.08Å; Y737-L862 HydrophobicContact CD1-CD2 4.45Å; Y737-L862 HydrophobicContact CD2-CD2 3.62Å; Y737-L862 HydrophobicContact CE1-CD2 4.4Å; Y737-L862 HydrophobicContact CE2-CD1 4.11Å; Y737-L862 HydrophobicContact CE2-CD2 3.54Å; Y737-L862 HydrophobicContact CE2-CG 4.48Å; Y737-L862 HydrophobicContact CG-CD2 4.1Å
738	I	95.1	Very high	91.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-45.4	179.8	-69.7	168.4	0	0	0	111.2	M654 V734 I735 G740 F806 L809 V842 F846	M654-I738 HydrophobicContact CE-CG2 3.88Å; V734-I738 HydrophobicContact CG1-CD1 3.82Å; V734-I738 WeakPolarHBondContact O-CG1 3.39Å; V734-I738 PolarHBondContact O-N 3.35Å; I735-I738 PolarHBondContact O-N 3.42Å; I738-G740 VanDerWaalsContact C-N 3.26Å; I738-G740 PolarHBondContact O-N 2.96Å; I738-F806 HydrophobicContact CD1-CD2 4.19Å; I738-F806 HydrophobicContact CG1-CD2 4.36Å; I738-F806 HydrophobicContact CG1-CE2 4.3Å; I738-L809 HydrophobicContact CD1-CB 4.04Å; I738-L809 HydrophobicContact CD1-CD1 3.65Å; I738-V842 HydrophobicContact CG2-CG1 4.39Å; I738-F846 HydrophobicContact CD1-CD1 4.45Å; I738-F846 HydrophobicContact CD1-CE1 3.87Å; I738-F846 HydrophobicContact CD1-CZ 4.36Å; I738-F846 HydrophobicContact CG1-CE1 4.36Å; I738-F846 HydrophobicContact CG2-CD2 4.32Å; I738-F846 HydrophobicContact CG2-CE1 3.96Å; I738-F846 HydrophobicContact CG2-CE2 3.66Å; I738-F846 HydrophobicContact CG2-CZ 3.45Å; I738-F846 VanDerWaalsContact CG2-CZ 3.45Å
739	L	92.9	Very high	91.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-79.8	-8.9	-179.3	-61.2	-177.2	0	0	0	113.3	I647 I650 I651 M654 I735 Y737 V741 L766 F820	I647-L739 HydrophobicContact CD1-CD1 4.36Å; I647-L739 HydrophobicContact CG2-CD1 4.07Å; I650-L739 HydrophobicContact CG2-CD1 4.32Å; I650-L739 HydrophobicContact CG2-CD2 3.95Å; I651-L739 HydrophobicContact CG1-CD1 4.29Å; M654-L739 HydrophobicContact CE-CD2 3.95Å; M654-L739 HydrophobicContact CE-CG 4.3Å; I735-L739 HydrophobicContact CG2-CD1 3.74Å; I735-L739 HydrophobicContact CG2-CG 4.22Å; I735-L739 WeakPolarHBondContact O-CB 3.34Å; I735-L739 WeakPolarHBondContact O-CG 3.37Å; I735-L739 PolarHBondContact O-N 2.89Å; Y737-L739 PolarHBondContact O-N 3.41Å; L739-V741 VanDerWaalsContact C-N 3.35Å; L739-V741 HydrophobicContact CB-CG2 3.91Å; L739-V741 PolarHBondContact O-N 3.1Å; L739-L766 PolarHBondContact O-N 3.05Å; L739-L766 VanDerWaalsContact O-N 3.14Å; L739-F820 HydrophobicContact CD2-CE2 3.79Å; L739-F820 HydrophobicContact CD2-CZ 3.73Å
740	G	90.8	Very high	91.8	Very high	13 Å²	13	13.8 Å²	13.8	13%	0.134	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	41.8	-177.8	0	0	0	0	0	113.1	T736 Y737 I738 G742 I765 L766 G767	T736-G740 WeakPolarHBondContact O-CA 3.42Å; T736-G740 PolarHBondContact O-N 2.8Å; Y737-G740 PolarHBondContact O-N 3.26Å; I738-G740 VanDerWaalsContact C-N 3.26Å; I738-G740 PolarHBondContact O-N 2.96Å; G740-G742 PolarHBondContact O-N 3.23Å; G740-I765 CarbonylContact O-C 3.47Å; G740-L766 PolarHBondContact O-N 3.13Å; G740-L766 VanDerWaalsContact O-N 3.13Å; G740-G767 PolarHBondContact O-N 2.9Å
741	V	90.4	Very high	91.7	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.012	7%	0.074	C	C	.	.			trans	-71	124.6	-179.2	-178	0	0	0	0	110.2	T736 L739 R744 F762 I765 K778	T736-V741 HydrophobicContact CG2-CB 4.2Å; T736-V741 HydrophobicContact CG2-CG2 4.27Å; T736-V741 PolarHBondContact O-N 3.37Å; L739-V741 VanDerWaalsContact C-N 3.35Å; L739-V741 HydrophobicContact CB-CG2 3.91Å; L739-V741 PolarHBondContact O-N 3.1Å; V741-R744 HydrophobicContact CG1-CG 4.48Å; V741-F762 HydrophobicContact CG1-CD1 3.78Å; V741-F762 HydrophobicContact CG1-CE1 4.29Å; V741-F762 HydrophobicContact CG2-CD1 4.08Å; V741-F762 HydrophobicContact CG2-CE1 4.43Å; V741-I765 HydrophobicContact CG2-CG2 4.43Å; V741-K778 WeakPolarHBondContact O-CE 3.09Å
742	G	83.4	Confident	91.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	8%	0.077	C	C	.	.			trans	-88.9	179.8	178	0	0	0	0	0	114.2	G740 R744 Y764 R768 D769	G740-G742 PolarHBondContact O-N 3.23Å; G742-R744 VanDerWaalsContact O-CZ 3.23Å; G742-R744 PolarHBondContact O-N 3.33Å; G742-R744 PolarHBondContact O-NE 2.89Å; G742-R744 PolarHBondContact O-NH2 3.05Å; G742-R744 VanDerWaalsContact O-NH2 3.14Å; G742-Y764 PolarHBondContact N-O 3.44Å; G742-R768 WeakPolarHBondContact CA-O 3.41Å; G742-D769 WeakPolarHBondContact CA-OD2 3.43Å
743	D	81.8	Confident	91.6	Very high	31 Å²	31	19.5 Å²	19.5	17%	0.166	10%	0.1	C	C	.	.			trans	52.6	46.8	167.9	-157.6	23.6	0	0	0	115	H745 N748 Y764 D769 P770	D743-H745 PolarHBondContact O-N 3.41Å; D743-H745 IonicContact OD1-CD2 2.72Å; D743-H745 PolarHBondContact OD1-CD2 3.06Å; D743-N748 PolarHBondContact O-ND2 2.75Å; D743-Y764 HydrophobicContact CB-CD2 3.6Å; D743-Y764 HydrophobicContact CB-CE2 4.17Å; D743-Y764 HydrophobicContact CB-CG 4.33Å; D743-D769 PolarHBondContact N-OD2 2.93Å; D743-P770 HydrophobicContact CB-CG 3.75Å; D743-P770 WeakPolarHBondContact OD1-CG 3.37Å
744	R	87	Confident	91.6	Very high	9 Å²	9	23.5 Å²	23.5	3%	0.034	12%	0.124	C	C	.	.			trans	-93.2	67.3	179.2	-60.3	-57.2	79.6	166.3	-1.3	111.5	V741 G742 N748 H759 I760 D761 K778	V741-R744 HydrophobicContact CG1-CG 4.48Å; G742-R744 VanDerWaalsContact O-CZ 3.23Å; G742-R744 PolarHBondContact O-N 3.33Å; G742-R744 PolarHBondContact O-NE 2.89Å; G742-R744 PolarHBondContact O-NH2 3.05Å; G742-R744 VanDerWaalsContact O-NH2 3.14Å; R744-N748 PolarHBondContact NH2-ND2 3.4Å; R744-H759 WeakPolarHBondContact CD-ND1 3.29Å; R744-I760 PolarHBondContact NH1-O 2.96Å; R744-D761 PolarHBondContact NH1-O 3.21Å; R744-D761 PolarHBondContact NH2-O 2.89Å; R744-K778 HydrophobicContact CB-CB 4.12Å; R744-K778 HydrophobicContact CB-CD 4.35Å; R744-K778 HydrophobicContact CB-CG 4.21Å; R744-K778 HydrophobicContact CG-CB 4.03Å; R744-K778 HydrophobicContact CG-CD 4.34Å; R744-K778 HydrophobicContact CG-CG 3.84Å
745	H	84.8	Confident	91.5	Very high	55 Å²	55	23.4 Å²	23.4	26%	0.255	12%	0.124	S	C	.	.			trans	-83.8	169.6	169.9	61.3	93.9	0	0	0	111.8	D743 D747 N748	D743-H745 PolarHBondContact O-N 3.41Å; D743-H745 IonicContact OD1-CD2 2.72Å; D743-H745 PolarHBondContact OD1-CD2 3.06Å; H745-D747 IonicContact CE1-OD2 3.19Å; H745-D747 PolarHBondContact CE1-OD2 3.16Å; H745-D747 WeakPolarHBondContact ND1-CB 3.33Å; H745-D747 PolarHBondContact ND1-N 3.48Å; H745-D747 IonicContact ND1-OD2 2.78Å; H745-D747 PolarHBondContact ND1-OD2 3.32Å; H745-D747 PolarHBondContact O-N 2.99Å; H745-N748 PolarHBondContact CD2-ND2 3.31Å; H745-N748 PolarHBondContact CE1-OD1 3Å; H745-N748 PolarHBondContact NE2-ND2 3.1Å; H745-N748 PolarHBondContact O-N 3.14Å
746	L	88.2	Confident	91.5	Very high	40 Å²	40	26.7 Å²	26.7	21%	0.209	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.4	-170.6	-60.8	172.2	0	0	0	114.3	V690 A691 L694 L749 N780	V690-L746 HydrophobicContact CG1-CD2 3.95Å; V690-L746 PolarHBondContact N-O 3.18Å; A691-L746 HydrophobicContact CB-CB 3.93Å; A691-L746 PolarHBondContact N-O 3.32Å; A691-L746 VanDerWaalsContact N-O 3.14Å; L694-L746 HydrophobicContact CD1-CD1 3.76Å; L746-L749 HydrophobicContact CD2-CD1 4.36Å; L746-N780 HydrophobicContact CD2-CB 4.37Å
747	D	87.2	Confident	91.7	Very high	89 Å²	89	26.6 Å²	26.6	48%	0.476	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-24.9	173.3	-45.1	-90	0	0	0	112.9	A691 H745 L749	A691-D747 WeakPolarHBondContact CB-OD1 3.39Å; H745-D747 IonicContact CE1-OD2 3.19Å; H745-D747 PolarHBondContact CE1-OD2 3.16Å; H745-D747 WeakPolarHBondContact ND1-CB 3.33Å; H745-D747 PolarHBondContact ND1-N 3.48Å; H745-D747 IonicContact ND1-OD2 2.78Å; H745-D747 PolarHBondContact ND1-OD2 3.32Å; H745-D747 PolarHBondContact O-N 2.99Å; D747-L749 VanDerWaalsContact C-N 3.27Å
748	N	90.9	Very high	91.8	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.064	14%	0.136	C	C	.	.	S	Bend	trans	-86.9	0.7	177.8	-69.9	-8.3	0	0	0	112.7	D743 R744 H745 H759 I760	D743-N748 PolarHBondContact O-ND2 2.75Å; R744-N748 PolarHBondContact NH2-ND2 3.4Å; H745-N748 PolarHBondContact CD2-ND2 3.31Å; H745-N748 PolarHBondContact CE1-OD1 3Å; H745-N748 PolarHBondContact NE2-ND2 3.1Å; H745-N748 PolarHBondContact O-N 3.14Å; N748-H759 WeakPolarHBondContact O-CA 3.23Å; N748-I760 HydrophobicContact CB-CG1 4.44Å; N748-I760 WeakPolarHBondContact O-CG1 3.38Å; N748-I760 PolarHBondContact O-N 3.18Å
749	L	94.3	Very high	91.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.2	174.6	-55.7	-178.2	0	0	0	108.1	P689 V690 L746 D747 L757 H759 M783	P689-L749 CarbonylContact C-O 3.58Å; P689-L749 WeakPolarHBondContact CA-O 3.29Å; V690-L749 HydrophobicContact CB-CB 4.22Å; V690-L749 HydrophobicContact CG2-CB 3.77Å; V690-L749 WeakPolarHBondContact CG2-O 3.35Å; V690-L749 PolarHBondContact N-O 3.05Å; L746-L749 HydrophobicContact CD2-CD1 4.36Å; D747-L749 VanDerWaalsContact C-N 3.27Å; L749-L757 HydrophobicContact CB-CD1 4.42Å; L749-H759 WeakPolarHBondContact CD2-CD2 3.5Å; L749-H759 WeakPolarHBondContact CD2-NE2 3.2Å; L749-M783 HydrophobicContact CD1-SD 3.89Å
750	L	95.7	Very high	91.7	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.115	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.2	179.2	-60	-169.1	0	0	0	110.5	S687 P689 L757 F758 I760	S687-L750 WeakPolarHBondContact OG-CD1 3.49Å; P689-L750 HydrophobicContact CB-CD2 3.92Å; P689-L750 HydrophobicContact CG-CD2 3.75Å; L750-L757 WeakPolarHBondContact O-CA 3.48Å; L750-F758 HydrophobicContact CB-CD1 4.23Å; L750-F758 HydrophobicContact CB-CD2 4.36Å; L750-F758 HydrophobicContact CB-CE1 3.72Å; L750-F758 HydrophobicContact CB-CE2 3.88Å; L750-F758 HydrophobicContact CB-CZ 3.52Å; L750-F758 HydrophobicContact CD1-CE2 3.76Å; L750-F758 HydrophobicContact CD1-CZ 3.73Å; L750-F758 HydrophobicContact CG-CE2 4.27Å; L750-F758 HydrophobicContact CG-CZ 4.22Å; L750-F758 PolarHBondContact N-O 2.73Å; L750-F758 PolarHBondContact O-N 3.44Å; L750-I760 HydrophobicContact CD1-CD1 3.97Å; L750-I760 HydrophobicContact CD1-CG1 4.27Å; L750-I760 HydrophobicContact CD1-CG2 3.53Å; L750-I760 HydrophobicContact CD2-CD1 4.13Å; L750-I760 HydrophobicContact CG-CD1 4.04Å; L750-I760 HydrophobicContact CG-CG1 4.08Å; L750-I760 HydrophobicContact CG-CG2 3.94Å
751	L	96.1	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.6	-178.5	-167	65.4	0	0	0	110.7	S687 V688 V690 I700 F703 F704 Y725 K756 L757	S687-L751 WeakPolarHBondContact CA-O 3.35Å; S687-L751 WeakPolarHBondContact CB-O 3.41Å; V688-L751 PolarHBondContact N-O 2.99Å; V688-L751 PolarHBondContact O-N 2.76Å; V690-L751 HydrophobicContact CG2-CB 4.37Å; I700-L751 HydrophobicContact CG2-CD2 3.89Å; F703-L751 HydrophobicContact CD1-CD2 3.79Å; F703-L751 HydrophobicContact CE1-CD2 3.91Å; F703-L751 HydrophobicContact CE1-CG 4.28Å; F704-L751 HydrophobicContact CE1-CD1 4.02Å; F704-L751 HydrophobicContact CE1-CD2 3.69Å; F704-L751 HydrophobicContact CE1-CG 3.92Å; F704-L751 HydrophobicContact CZ-CD1 3.61Å; F704-L751 HydrophobicContact CZ-CD2 3.67Å; F704-L751 HydrophobicContact CZ-CG 3.96Å; Y725-L751 HydrophobicContact CD2-CD1 3.9Å; Y725-L751 HydrophobicContact CE2-CD1 4.09Å; L751-K756 WeakPolarHBondContact CA-O 3.38Å; L751-L757 HydrophobicContact CD1-CB 4.18Å; L751-L757 HydrophobicContact CD1-CD1 4.01Å
752	T	96.3	Very high	91.4	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.067	16%	0.156	C	C	.	.			trans	-92.1	158.5	172.4	75.3	0	0	0	0	111.3	I685 T754 G755 K756 F758	I685-T752 HydrophobicContact CG2-CG2 4.32Å; T752-T754 PolarHBondContact O-N 3.26Å; T752-T754 VanDerWaalsContact O-N 3.16Å; T752-T754 PolarHBondContact OG1-N 3.46Å; T752-T754 PolarHBondContact OG1-OG1 2.85Å; T752-G755 PolarHBondContact O-N 3.4Å; T752-G755 PolarHBondContact OG1-N 3.33Å; T752-K756 HydrophobicContact CG2-CB 4.02Å; T752-K756 PolarHBondContact N-O 3.16Å; T752-K756 WeakPolarHBondContact OG1-CB 3.48Å; T752-K756 PolarHBondContact OG1-N 3.27Å; T752-F758 HydrophobicContact CG2-CD1 4.48Å; T752-F758 HydrophobicContact CG2-CE1 3.92Å
753	K	93.7	Very high	91.3	Very high	110 Å²	110	32.1 Å²	32.1	48%	0.478	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.8	173.1	-63	178.1	-179.3	176.7	0	113.3	F703 Y707 G755	F703-K753 HydrophobicContact CZ-CG 4.26Å; Y707-K753 HydrophobicContact CD1-CD 3.84Å; Y707-K753 HydrophobicContact CD1-CG 4.19Å; Y707-K753 HydrophobicContact CD2-CG 4.3Å; Y707-K753 HydrophobicContact CE1-CD 3.99Å; Y707-K753 HydrophobicContact CG-CB 4.42Å; Y707-K753 HydrophobicContact CG-CD 4.25Å; Y707-K753 HydrophobicContact CG-CG 4.09Å; K753-G755 VanDerWaalsContact C-N 3.32Å
754	T	94.6	Very high	91.4	Very high	83 Å²	83	35.3 Å²	35.3	51%	0.509	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5.4	177.9	62.9	0	0	0	0	113	T752	T752-T754 PolarHBondContact O-N 3.26Å; T752-T754 VanDerWaalsContact O-N 3.16Å; T752-T754 PolarHBondContact OG1-N 3.46Å; T752-T754 PolarHBondContact OG1-OG1 2.85Å
755	G	94.3	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	91.3	1.2	177	0	0	0	0	0	115.3	Y725 T752 K753 L757	Y725-G755 WeakPolarHBondContact CA-O 3.28Å; Y725-G755 VanDerWaalsContact CB-O 3.31Å; Y725-G755 WeakPolarHBondContact CB-O 3.23Å; Y725-G755 PolarHBondContact N-O 3.12Å; T752-G755 PolarHBondContact O-N 3.4Å; T752-G755 PolarHBondContact OG1-N 3.33Å; K753-G755 VanDerWaalsContact C-N 3.32Å; G755-L757 PolarHBondContact O-N 3.48Å
756	K	96.7	Very high	91.3	Very high	70 Å²	70	32.8 Å²	32.8	30%	0.304	17%	0.17	S	C	.	.			trans	-75	122.1	178.2	-60	-169	-179.7	-170.9	0	110.1	T668 T724 L751 T752	T668-K756 VanDerWaalsContact OG1-CD 3.24Å; T668-K756 WeakPolarHBondContact OG1-CD 3.1Å; T724-K756 HydrophobicContact CG2-CB 4.42Å; T724-K756 HydrophobicContact CG2-CG 3.54Å; L751-K756 WeakPolarHBondContact CA-O 3.38Å; T752-K756 HydrophobicContact CG2-CB 4.02Å; T752-K756 PolarHBondContact N-O 3.16Å; T752-K756 WeakPolarHBondContact OG1-CB 3.48Å; T752-K756 PolarHBondContact OG1-N 3.27Å
757	L	96.5	Very high	90.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.9	167.6	-174.5	75.4	0	0	0	109	V690 Y725 S728 C729 Y732 L749 L750 L751 G755 M783	V690-L757 HydrophobicContact CG2-CD1 3.93Å; Y725-L757 HydrophobicContact CD2-CB 4.21Å; Y725-L757 HydrophobicContact CE2-CB 4.22Å; Y725-L757 HydrophobicContact CE2-CD1 4.47Å; Y725-L757 HydrophobicContact CE2-CD2 4.3Å; S728-L757 WeakPolarHBondContact CB-O 3.28Å; S728-L757 PolarHBondContact OG-N 2.95Å; C729-L757 HydrophobicContact CB-CD2 4Å; Y732-L757 WeakPolarHBondContact CD2-O 3.49Å; Y732-L757 WeakPolarHBondContact CE2-O 3.16Å; L749-L757 HydrophobicContact CB-CD1 4.42Å; L750-L757 WeakPolarHBondContact O-CA 3.48Å; L751-L757 HydrophobicContact CD1-CB 4.18Å; L751-L757 HydrophobicContact CD1-CD1 4.01Å; G755-L757 PolarHBondContact O-N 3.48Å; L757-M783 HydrophobicContact CD2-CE 3.71Å
758	F	96.4	Very high	90.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.2	175	65.7	-79.8	0	0	0	112	Y670 I685 S687 Y732 L750 T752 I760	Y670-F758 HydrophobicContact CD1-CD2 4.04Å; Y670-F758 HydrophobicContact CD1-CE2 4.16Å; Y670-F758 HydrophobicContact CE1-CD2 4.19Å; Y670-F758 HydrophobicContact CE1-CE2 4.42Å; I685-F758 HydrophobicContact CB-CE1 4.48Å; I685-F758 HydrophobicContact CB-CE2 4.36Å; I685-F758 HydrophobicContact CB-CZ 3.78Å; I685-F758 HydrophobicContact CG1-CE2 4.49Å; I685-F758 HydrophobicContact CG1-CZ 4.35Å; I685-F758 HydrophobicContact CG2-CE1 3.96Å; I685-F758 HydrophobicContact CG2-CZ 3.76Å; S687-F758 WeakPolarHBondContact OG-CZ 3.29Å; Y732-F758 HydrophobicContact CD2-CB 4.27Å; Y732-F758 HydrophobicContact CE1-CB 4.33Å; Y732-F758 VanDerWaalsContact CE2-CA 3.47Å; Y732-F758 HydrophobicContact CE2-CB 3.44Å; Y732-F758 VanDerWaalsContact CE2-CB 3.44Å; Y732-F758 VanDerWaalsContact CZ-CB 3.49Å; Y732-F758 WeakPolarHBondContact OH-CB 3.48Å; L750-F758 HydrophobicContact CB-CD1 4.23Å; L750-F758 HydrophobicContact CB-CD2 4.36Å; L750-F758 HydrophobicContact CB-CE1 3.72Å; L750-F758 HydrophobicContact CB-CE2 3.88Å; L750-F758 HydrophobicContact CB-CZ 3.52Å; L750-F758 HydrophobicContact CD1-CE2 3.76Å; L750-F758 HydrophobicContact CD1-CZ 3.73Å; L750-F758 HydrophobicContact CG-CE2 4.27Å; L750-F758 HydrophobicContact CG-CZ 4.22Å; L750-F758 PolarHBondContact N-O 2.73Å; L750-F758 PolarHBondContact O-N 3.44Å; T752-F758 HydrophobicContact CG2-CD1 4.48Å; T752-F758 HydrophobicContact CG2-CE1 3.92Å; F758-I760 HydrophobicContact CD2-CG2 4.15Å; F758-I760 HydrophobicContact CE2-CG2 3.87Å
759	H	94.3	Very high	90	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142	-175.1	-66.1	-153.2	0	0	0	110	Y670 Y732 T736 R744 N748 L749 F762	Y670-H759 WeakPolarHBondContact CE1-O 3.49Å; Y732-H759 HydrophobicContact CD1-CB 4.13Å; Y732-H759 AromaticContact CD1-CD2 3.94Å; Y732-H759 HydrophobicContact CE1-CB 4.41Å; Y732-H759 AromaticContact CG-CD2 3.83Å; T736-H759 WeakPolarHBondContact CG2-ND1 3.49Å; R744-H759 WeakPolarHBondContact CD-ND1 3.29Å; N748-H759 WeakPolarHBondContact O-CA 3.23Å; L749-H759 WeakPolarHBondContact CD2-CD2 3.5Å; L749-H759 WeakPolarHBondContact CD2-NE2 3.2Å; H759-F762 HydrophobicContact CB-CE1 4.25Å; H759-F762 HydrophobicContact CB-CZ 4.16Å; H759-F762 WeakPolarHBondContact O-CZ 3.22Å
760	I	92.3	Very high	89.2	Confident	45 Å²	45	36.3 Å²	36.3	23%	0.231	20%	0.201	C	C	.	.			trans	-119.5	169	172.8	59.5	159.3	0	0	0	111.4	Y670 R744 N748 L750 F758	Y670-I760 HydrophobicContact CE1-CG2 3.86Å; Y670-I760 WeakPolarHBondContact OH-CA 3.49Å; R744-I760 PolarHBondContact NH1-O 2.96Å; N748-I760 HydrophobicContact CB-CG1 4.44Å; N748-I760 WeakPolarHBondContact O-CG1 3.38Å; N748-I760 PolarHBondContact O-N 3.18Å; L750-I760 HydrophobicContact CD1-CD1 3.97Å; L750-I760 HydrophobicContact CD1-CG1 4.27Å; L750-I760 HydrophobicContact CD1-CG2 3.53Å; L750-I760 HydrophobicContact CD2-CD1 4.13Å; L750-I760 HydrophobicContact CG-CD1 4.04Å; L750-I760 HydrophobicContact CG-CG1 4.08Å; L750-I760 HydrophobicContact CG-CG2 3.94Å; F758-I760 HydrophobicContact CD2-CG2 4.15Å; F758-I760 HydrophobicContact CE2-CG2 3.87Å
761	D	86.9	Confident	88.2	Confident	65 Å²	65	40.3 Å²	40.3	35%	0.348	22%	0.218	S	C	.	.			trans	60.6	88.3	175.6	-166.9	-18.8	0	0	0	112.3	R744 G763	R744-D761 PolarHBondContact NH1-O 3.21Å; R744-D761 PolarHBondContact NH2-O 2.89Å; D761-G763 VanDerWaalsContact C-N 3.29Å; D761-G763 PolarHBondContact O-N 3.18Å; D761-G763 PolarHBondContact OD1-N 3.29Å
762	F	88.5	Confident	86.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.			trans	-95.5	33.7	-178.3	-61.5	-80.8	0	0	0	112.4	Q643 D644 I647 L648 I651 Y670 V741 H759 Y764 I765	Q643-F762 PolarHBondContact NE2-O 3.26Å; D644-F762 PolarHBondContact OD1-N 2.75Å; I647-F762 HydrophobicContact CB-CB 4.13Å; I647-F762 HydrophobicContact CB-CD2 4.47Å; I647-F762 HydrophobicContact CB-CG 4.13Å; I647-F762 HydrophobicContact CG1-CB 4.2Å; I647-F762 HydrophobicContact CG2-CB 4.05Å; I647-F762 HydrophobicContact CG2-CD1 3.52Å; I647-F762 HydrophobicContact CG2-CD2 4.05Å; I647-F762 HydrophobicContact CG2-CE1 3.92Å; I647-F762 HydrophobicContact CG2-CE2 4.4Å; I647-F762 HydrophobicContact CG2-CG 3.6Å; I647-F762 HydrophobicContact CG2-CZ 4.34Å; L648-F762 HydrophobicContact CD1-CD2 4.46Å; L648-F762 HydrophobicContact CD1-CE2 4.25Å; L648-F762 HydrophobicContact CD2-CE2 3.84Å; L648-F762 HydrophobicContact CD2-CZ 4.46Å; L648-F762 HydrophobicContact CG-CD2 4.27Å; L648-F762 HydrophobicContact CG-CE2 3.87Å; I651-F762 HydrophobicContact CD1-CE1 4Å; I651-F762 HydrophobicContact CD1-CE2 4.26Å; I651-F762 HydrophobicContact CD1-CZ 3.64Å; Y670-F762 HydrophobicContact CE1-CE2 4.46Å; Y670-F762 WeakPolarHBondContact OH-CE2 3.47Å; V741-F762 HydrophobicContact CG1-CD1 3.78Å; V741-F762 HydrophobicContact CG1-CE1 4.29Å; V741-F762 HydrophobicContact CG2-CD1 4.08Å; V741-F762 HydrophobicContact CG2-CE1 4.43Å; H759-F762 HydrophobicContact CB-CE1 4.25Å; H759-F762 HydrophobicContact CB-CZ 4.16Å; H759-F762 WeakPolarHBondContact O-CZ 3.22Å; F762-Y764 PolarHBondContact O-N 3.38Å; F762-I765 HydrophobicContact CB-CG2 4.45Å; F762-I765 WeakPolarHBondContact O-CG2 3.48Å
763	G	81.2	Confident	85.3	Confident	29 Å²	29	53.5 Å²	53.5	30%	0.299	29%	0.294	S	S	.	.			trans	-63.8	-18.4	-177.5	0	0	0	0	0	115.9	Q643 D761	Q643-G763 PolarHBondContact NE2-O 2.94Å; D761-G763 VanDerWaalsContact C-N 3.29Å; D761-G763 PolarHBondContact O-N 3.18Å; D761-G763 PolarHBondContact OD1-N 3.29Å
764	Y	83.1	Confident	84.2	Confident	97 Å²	97	50.8 Å²	50.8	38%	0.38	29%	0.288	S	S	.	.	S	Bend	trans	-122.2	114.7	174.7	-62.6	-84.9	0	0	0	110.8	G742 D743 F762 R768 P770 D830	G742-Y764 PolarHBondContact N-O 3.44Å; D743-Y764 HydrophobicContact CB-CD2 3.6Å; D743-Y764 HydrophobicContact CB-CE2 4.17Å; D743-Y764 HydrophobicContact CB-CG 4.33Å; F762-Y764 PolarHBondContact O-N 3.38Å; Y764-R768 HydrophobicContact CD1-CB 4.33Å; Y764-P770 HydrophobicContact CE2-CG 4.38Å; Y764-D830 WeakPolarHBondContact CA-OD2 3.23Å
765	I	86.4	Confident	83.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.275	C	S	.	.			trans	-131.2	174.6	-179	60.8	169.4	0	0	0	112.6	Q643 I647 G740 V741 F762 G767 R768 D830 I831	Q643-I765 HydrophobicContact CG-CD1 3.99Å; I647-I765 HydrophobicContact CD1-CB 4.43Å; I647-I765 HydrophobicContact CD1-CD1 3.97Å; I647-I765 HydrophobicContact CD1-CG2 3.88Å; I647-I765 HydrophobicContact CG1-CD1 4.36Å; I647-I765 HydrophobicContact CG1-CG2 3.95Å; G740-I765 CarbonylContact O-C 3.47Å; V741-I765 HydrophobicContact CG2-CG2 4.43Å; F762-I765 HydrophobicContact CB-CG2 4.45Å; F762-I765 WeakPolarHBondContact O-CG2 3.48Å; I765-G767 VanDerWaalsContact C-N 3.27Å; I765-G767 PolarHBondContact O-N 3.02Å; I765-R768 WeakPolarHBondContact O-CB 3.15Å; I765-R768 PolarHBondContact O-N 2.99Å; I765-D830 HydrophobicContact CD1-CB 4.19Å; I765-D830 HydrophobicContact CG1-CB 3.65Å; I765-D830 PolarHBondContact N-OD2 3.33Å; I765-I831 HydrophobicContact CD1-CG1 4.39Å
766	L	82.8	Confident	82.2	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.058	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	41.3	172.8	-55.2	170.4	0	0	0	113	L739 G740 I831 T838 K841 V842	L739-L766 PolarHBondContact O-N 3.05Å; L739-L766 VanDerWaalsContact O-N 3.14Å; G740-L766 PolarHBondContact O-N 3.13Å; G740-L766 VanDerWaalsContact O-N 3.13Å; L766-I831 HydrophobicContact CD1-CG1 3.99Å; L766-T838 HydrophobicContact CD1-CG2 3.53Å; L766-T838 HydrophobicContact CD2-CG2 4.33Å; L766-K841 HydrophobicContact CB-CD 4.24Å; L766-K841 WeakPolarHBondContact O-CD 3.16Å; L766-K841 PolarHBondContact O-NZ 2.95Å; L766-K841 VanDerWaalsContact O-NZ 3.08Å; L766-V842 HydrophobicContact CD2-CG2 3.44Å; L766-V842 VanDerWaalsContact CD2-CG2 3.44Å
767	G	78.1	Confident	81.6	Confident	57 Å²	57	48 Å²	48	59%	0.588	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	5.1	174.9	0	0	0	0	0	114.9	G740 I765	G740-G767 PolarHBondContact O-N 2.9Å; I765-G767 VanDerWaalsContact C-N 3.27Å; I765-G767 PolarHBondContact O-N 3.02Å
768	R	81.6	Confident	80.9	Confident	57 Å²	57	49.3 Å²	49.3	22%	0.215	28%	0.284	C	S	.	.			trans	-76	138.7	169.7	-68.9	-170.5	172.5	146.9	13.4	110.5	G742 Y764 I765 D830	G742-R768 WeakPolarHBondContact CA-O 3.41Å; Y764-R768 HydrophobicContact CD1-CB 4.33Å; I765-R768 WeakPolarHBondContact O-CB 3.15Å; I765-R768 PolarHBondContact O-N 2.99Å; R768-D830 IonicContact CZ-OD1 2.59Å; R768-D830 VanDerWaalsContact NH1-CA 3.33Å; R768-D830 PolarHBondContact NH1-O 3.08Å; R768-D830 IonicContact NH1-OD1 2.68Å; R768-D830 PolarHBondContact NH1-OD1 3.28Å
769	D	80.6	Confident	80.4	Confident	33 Å²	33	49.2 Å²	49.2	18%	0.176	28%	0.284	C	S	.	.			trans	-150.5	138.3	174.4	-157.2	-69.2	0	0	0	109	G742 D743 K771 P774 K778	G742-D769 WeakPolarHBondContact CA-OD2 3.43Å; D743-D769 PolarHBondContact N-OD2 2.93Å; D769-K771 PolarHBondContact O-N 3.15Å; D769-K771 VanDerWaalsContact OD1-CB 3.25Å; D769-K771 WeakPolarHBondContact OD1-CB 3.41Å; D769-K771 PolarHBondContact OD1-N 3.31Å; D769-P774 HydrophobicContact CB-CB 4.16Å; D769-P774 HydrophobicContact CB-CG 3.93Å; D769-K778 IonicContact OD2-NZ 2.71Å; D769-K778 PolarHBondContact OD2-NZ 3.07Å
770	P	76.8	Confident	80	Confident	68 Å²	68	50.5 Å²	50.5	44%	0.442	29%	0.29	S	S	.	.	S	Bend	trans	-67.2	-20	172.9	26.4	-34.1	0	0	0	112.7	D743 Y764	D743-P770 HydrophobicContact CB-CG 3.75Å; D743-P770 WeakPolarHBondContact OD1-CG 3.37Å; Y764-P770 HydrophobicContact CE2-CG 4.38Å
771	K	75.3	Confident	79.7	Confident	107 Å²	107	51 Å²	51	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-85.6	137.9	178.4	-59	179	-175.9	177.9	0	110.6	D769 L773 P774	D769-K771 PolarHBondContact O-N 3.15Å; D769-K771 VanDerWaalsContact OD1-CB 3.25Å; D769-K771 WeakPolarHBondContact OD1-CB 3.41Å; D769-K771 PolarHBondContact OD1-N 3.31Å; K771-L773 VanDerWaalsContact C-N 3.34Å; K771-L773 PolarHBondContact O-N 3.03Å; K771-P774 WeakPolarHBondContact O-CD 3.4Å
772	P	62.5	Low	79.8	Confident	128 Å²	128	50.6 Å²	50.6	83%	0.831	29%	0.287	S	S	*	.	S	Bend	trans	-69.8	-24.4	-174.3	25.5	-34.2	0	0	0	114.7
773	L	68.7	Low	80	Confident	160 Å²	160	50.6 Å²	50.6	84%	0.838	29%	0.287	S	S	*	.	S	Bend	trans	-138.8	75.8	178.6	-69.3	173.1	0	0	0	109.8	K771	K771-L773 VanDerWaalsContact C-N 3.34Å; K771-L773 PolarHBondContact O-N 3.03Å
774	P	70.1	Confident	80.5	Confident	53 Å²	53	49.5 Å²	49.5	34%	0.344	28%	0.275	S	S	.	.			trans	-69.6	144.2	177.4	26.5	-29.4	0	0	0	110.7	D769 K771	D769-P774 HydrophobicContact CB-CB 4.16Å; D769-P774 HydrophobicContact CB-CG 3.93Å; K771-P774 WeakPolarHBondContact O-CD 3.4Å
775	P	72.9	Confident	80.9	Confident	37 Å²	37	49.6 Å²	49.6	24%	0.24	28%	0.278	C	S	.	.			trans	-61.5	148.9	169.9	28.3	-34.5	0	0	0	109.8	M777	P775-M777 PolarHBondContact O-N 3.36Å
776	P	73.9	Confident	81.1	Confident	57 Å²	57	49.6 Å²	49.6	37%	0.37	28%	0.279	S	S	.	.	S	Bend	trans	-69.5	-33.7	-172.1	28.5	-34.6	0	0	0	112.3	L862	P776-L862 HydrophobicContact CB-CD1 3.7Å; P776-L862 HydrophobicContact CG-CD1 4.09Å
777	M	84.1	Confident	81.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-111	138.8	164.8	-163.8	171.9	93.6	0	0	110.3	C733 P775 L779 F798 L862 I863 S866	C733-M777 HydrophobicContact CB-CE 3.81Å; C733-M777 HydrophobicContact CB-CG 4.47Å; C733-M777 HydrophobicContact CB-SD 4.16Å; P775-M777 PolarHBondContact O-N 3.36Å; M777-L779 VanDerWaalsContact C-N 3.27Å; M777-L779 HydrophobicContact CE-CB 3.97Å; M777-L779 HydrophobicContact CE-CD2 4Å; M777-L779 HydrophobicContact CE-CG 4.5Å; M777-L779 PolarHBondContact O-N 3.48Å; M777-F798 HydrophobicContact CE-CE1 4.42Å; M777-F798 HydrophobicContact CE-CZ 3.97Å; M777-L862 HydrophobicContact CB-CD2 4.06Å; M777-L862 HydrophobicContact CB-CG 4.27Å; M777-L862 HydrophobicContact SD-CD2 4.44Å; M777-I863 HydrophobicContact CE-CD1 4.34Å; M777-I863 HydrophobicContact CE-CG1 3.68Å; M777-I863 HydrophobicContact SD-CG1 3.85Å; M777-S866 WeakPolarHBondContact CB-OG 3.45Å; M777-S866 PolarHBondContact N-OG 3.5Å; M777-S866 VanDerWaalsContact N-OG 3.17Å
778	K	82.3	Confident	82.1	Confident	28 Å²	28	48.1 Å²	48.1	12%	0.122	27%	0.266	C	S	.	.			trans	-81.3	73.2	179.9	-56.3	-57.2	-169.8	-177.4	0	110.7	V741 R744 D769	V741-K778 WeakPolarHBondContact O-CE 3.09Å; R744-K778 HydrophobicContact CB-CB 4.12Å; R744-K778 HydrophobicContact CB-CD 4.35Å; R744-K778 HydrophobicContact CB-CG 4.21Å; R744-K778 HydrophobicContact CG-CB 4.03Å; R744-K778 HydrophobicContact CG-CD 4.34Å; R744-K778 HydrophobicContact CG-CG 3.84Å; D769-K778 IonicContact OD2-NZ 2.71Å; D769-K778 PolarHBondContact OD2-NZ 3.07Å
779	L	86.6	Confident	82.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.265	C	S	.	.			trans	-118.1	123.6	174.1	-179	62.1	0	0	0	108	M777 M783 V784 F798 I863 V867 L870	M777-L779 VanDerWaalsContact C-N 3.27Å; M777-L779 HydrophobicContact CE-CB 3.97Å; M777-L779 HydrophobicContact CE-CD2 4Å; M777-L779 HydrophobicContact CE-CG 4.5Å; M777-L779 PolarHBondContact O-N 3.48Å; L779-M783 HydrophobicContact CD1-CB 4.05Å; L779-M783 HydrophobicContact CD1-CE 4.01Å; L779-M783 HydrophobicContact CD1-SD 4.45Å; L779-V784 HydrophobicContact CD1-CG2 3.95Å; L779-V784 HydrophobicContact CD2-CG2 3.84Å; L779-V784 HydrophobicContact CG-CG2 3.84Å; L779-F798 HydrophobicContact CD1-CZ 4.01Å; L779-F798 HydrophobicContact CD2-CE1 4.1Å; L779-F798 HydrophobicContact CD2-CZ 4.23Å; L779-I863 HydrophobicContact CD2-CG2 4.4Å; L779-V867 HydrophobicContact CD2-CG2 3.66Å; L779-L870 WeakPolarHBondContact O-CD1 3.42Å
780	N	85.7	Confident	82.7	Confident	27 Å²	27	47.3 Å²	47.3	14%	0.144	27%	0.273	C	S	.	.			trans	-99.4	157.2	179.1	-65.6	-18.5	0	0	0	110.9	L746 E782 M783 V784	L746-N780 HydrophobicContact CD2-CB 4.37Å; N780-E782 VanDerWaalsContact C-N 3.28Å; N780-E782 PolarHBondContact O-N 2.97Å; N780-M783 HydrophobicContact CB-CG 4.2Å; N780-M783 HydrophobicContact CB-SD 3.92Å; N780-M783 PolarHBondContact N-SD 3.09Å; N780-M783 WeakPolarHBondContact O-CB 3.37Å; N780-M783 PolarHBondContact O-N 2.82Å; N780-M783 VanDerWaalsContact O-N 3.12Å; N780-V784 PolarHBondContact O-N 3.19Å
781	K	86.1	Confident	83.3	Confident	57 Å²	57	52.2 Å²	52.2	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-43.3	-178.6	176.6	-173.9	163.3	-167.9	0	111.2	M783 V784 E785 V874	K781-M783 PolarHBondContact O-N 3.24Å; K781-V784 PolarHBondContact O-N 3.34Å; K781-V784 VanDerWaalsContact O-N 3.12Å; K781-E785 VanDerWaalsContact CE-CD 3.41Å; K781-E785 WeakPolarHBondContact CE-OE1 3.28Å; K781-E785 HydrophobicContact CG-CG 4.38Å; K781-E785 IonicContact NZ-OE1 3.24Å; K781-E785 PolarHBondContact NZ-OE1 3.44Å; K781-E785 PolarHBondContact O-N 3.11Å; K781-V874 HydrophobicContact CD-CG2 4.41Å
782	E	89.8	Confident	84.1	Confident	55 Å²	55	47.8 Å²	47.8	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-31.1	-178	-59.6	73.3	-157.3	0	0	110.9	L694 I700 N780 G786	L694-E782 HydrophobicContact CD1-CB 4.21Å; L694-E782 HydrophobicContact CD1-CG 3.73Å; L694-E782 HydrophobicContact CD2-CB 4.45Å; L694-E782 HydrophobicContact CD2-CG 4.31Å; I700-E782 WeakPolarHBondContact CD1-O 3.48Å; N780-E782 VanDerWaalsContact C-N 3.28Å; N780-E782 PolarHBondContact O-N 2.97Å; E782-G786 PolarHBondContact O-N 3.5Å
783	M	92.3	Very high	85.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-43.3	176.1	-64	165.7	63.3	0	0	111.3	Y725 C729 L749 L757 L779 N780 K781 G786 M787	Y725-M783 VanDerWaalsContact OH-CA 3.23Å; Y725-M783 WeakPolarHBondContact OH-CA 3.35Å; Y725-M783 PolarHBondContact OH-O 3.22Å; C729-M783 WeakPolarHBondContact SG-CE 3.42Å; L749-M783 HydrophobicContact CD1-SD 3.89Å; L757-M783 HydrophobicContact CD2-CE 3.71Å; L779-M783 HydrophobicContact CD1-CB 4.05Å; L779-M783 HydrophobicContact CD1-CE 4.01Å; L779-M783 HydrophobicContact CD1-SD 4.45Å; N780-M783 HydrophobicContact CB-CG 4.2Å; N780-M783 HydrophobicContact CB-SD 3.92Å; N780-M783 PolarHBondContact N-SD 3.09Å; N780-M783 WeakPolarHBondContact O-CB 3.37Å; N780-M783 PolarHBondContact O-N 2.82Å; N780-M783 VanDerWaalsContact O-N 3.12Å; K781-M783 PolarHBondContact O-N 3.24Å; M783-G786 PolarHBondContact O-N 3.47Å; M783-M787 PolarHBondContact O-N 3.13Å
784	V	92.1	Very high	86.7	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-69	-42.4	177.9	179.2	0	0	0	0	111.1	L779 N780 K781 G786 M787 G788 G789 T790 Y795 V867	L779-V784 HydrophobicContact CD1-CG2 3.95Å; L779-V784 HydrophobicContact CD2-CG2 3.84Å; L779-V784 HydrophobicContact CG-CG2 3.84Å; N780-V784 PolarHBondContact O-N 3.19Å; K781-V784 PolarHBondContact O-N 3.34Å; K781-V784 VanDerWaalsContact O-N 3.12Å; V784-G786 VanDerWaalsContact C-N 3.26Å; V784-G786 PolarHBondContact O-N 2.65Å; V784-M787 WeakPolarHBondContact O-CB 3.42Å; V784-M787 PolarHBondContact O-N 2.67Å; V784-G788 PolarHBondContact O-N 3.42Å; V784-G789 PolarHBondContact O-N 2.91Å; V784-T790 HydrophobicContact CG1-CG2 3.94Å; V784-Y795 HydrophobicContact CG1-CD2 3.94Å; V784-Y795 HydrophobicContact CG1-CE2 3.97Å; V784-Y795 HydrophobicContact CG2-CE2 4.14Å; V784-V867 HydrophobicContact CG2-CG2 4.42Å
785	E	90.4	Very high	87.9	Confident	98 Å²	98	40.8 Å²	40.8	46%	0.458	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-35.1	173.2	-71.6	-177.3	160.3	0	0	111.7	Q701 K781 M787 G788	Q701-E785 PolarHBondContact NE2-O 2.93Å; Q701-E785 VanDerWaalsContact NE2-O 3.12Å; K781-E785 VanDerWaalsContact CE-CD 3.41Å; K781-E785 WeakPolarHBondContact CE-OE1 3.28Å; K781-E785 HydrophobicContact CG-CG 4.38Å; K781-E785 IonicContact NZ-OE1 3.24Å; K781-E785 PolarHBondContact NZ-OE1 3.44Å; K781-E785 PolarHBondContact O-N 3.11Å; E785-M787 PolarHBondContact O-N 3.28Å; E785-G788 PolarHBondContact O-N 2.86Å
786	G	90.3	Very high	88.9	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-53.8	-34.2	170.5	0	0	0	0	0	113.2	Q701 E782 M783 V784 G788	Q701-G786 WeakPolarHBondContact CG-O 3.45Å; E782-G786 PolarHBondContact O-N 3.5Å; M783-G786 PolarHBondContact O-N 3.47Å; V784-G786 VanDerWaalsContact C-N 3.26Å; V784-G786 PolarHBondContact O-N 2.65Å; G786-G788 VanDerWaalsContact C-N 3.33Å
787	M	93.3	Very high	89.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.2	176.7	-57	173.6	-169.6	0	0	113.6	Y725 V726 C729 M783 V784 E785 S792 Q794 Y795 F798	Y725-M787 HydrophobicContact CD1-CG 4.34Å; Y725-M787 HydrophobicContact CE1-CE 4.3Å; Y725-M787 HydrophobicContact CE1-CG 3.81Å; V726-M787 HydrophobicContact CG2-CG 4.25Å; C729-M787 HydrophobicContact CB-CE 3.7Å; C729-M787 WeakPolarHBondContact SG-CE 3.42Å; M783-M787 PolarHBondContact O-N 3.13Å; V784-M787 WeakPolarHBondContact O-CB 3.42Å; V784-M787 PolarHBondContact O-N 2.67Å; E785-M787 PolarHBondContact O-N 3.28Å; M787-S792 WeakPolarHBondContact O-CB 3.49Å; M787-S792 PolarHBondContact O-OG 2.95Å; M787-Q794 HydrophobicContact CB-CB 4.19Å; M787-Q794 WeakPolarHBondContact O-CB 3.39Å; M787-Y795 HydrophobicContact SD-CD2 4.12Å; M787-F798 HydrophobicContact CE-CB 4.14Å; M787-F798 HydrophobicContact CE-CD2 3.44Å; M787-F798 VanDerWaalsContact CE-CD2 3.44Å; M787-F798 HydrophobicContact CE-CE2 3.9Å; M787-F798 HydrophobicContact CE-CG 3.78Å; M787-F798 HydrophobicContact SD-CB 3.65Å; M787-F798 HydrophobicContact SD-CD1 4.28Å; M787-F798 HydrophobicContact SD-CD2 4.05Å; M787-F798 HydrophobicContact SD-CG 3.74Å
788	G	88.1	Confident	90.5	Very high	36 Å²	36	44.9 Å²	44.9	37%	0.371	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	12.3	-174.8	0	0	0	0	0	114.6	V784 E785 G786	V784-G788 PolarHBondContact O-N 3.42Å; E785-G788 PolarHBondContact O-N 2.86Å; G786-G788 VanDerWaalsContact C-N 3.33Å
789	G	88.8	Confident	91.2	Very high	19 Å²	19	46 Å²	46	20%	0.196	23%	0.234	C	C	.	.			trans	91	176.5	175.6	0	0	0	0	0	114.4	V784 Q791 S792 Y795	V784-G789 PolarHBondContact O-N 2.91Å; G789-Q791 PolarHBondContact O-N 2.65Å; G789-S792 WeakPolarHBondContact O-CB 3.44Å; G789-S792 PolarHBondContact O-N 3.48Å; G789-S792 VanDerWaalsContact O-N 3.14Å; G789-S792 PolarHBondContact O-OG 3.44Å; G789-S792 VanDerWaalsContact O-OG 3.07Å; G789-Y795 VanDerWaalsContact O-CB 3.29Å; G789-Y795 WeakPolarHBondContact O-CB 3.38Å
790	T	87.8	Confident	91.6	Very high	55 Å²	55	51.8 Å²	51.8	34%	0.337	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.6	-171.4	52	0	0	0	0	114.8	V784 Y795 V867 F871	V784-T790 HydrophobicContact CG1-CG2 3.94Å; T790-Y795 HydrophobicContact CG2-CE1 4.29Å; T790-Y795 VanDerWaalsContact O-CD1 3.25Å; T790-Y795 WeakPolarHBondContact O-CD1 3.47Å; T790-V867 HydrophobicContact CG2-CG1 3.91Å; T790-F871 HydrophobicContact CG2-CE2 4.43Å
791	Q	87.6	Confident	92.2	Very high	170 Å²	170	51.4 Å²	51.4	79%	0.794	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	0.2	178.3	-59.7	-61.8	-23.6	0	0	112.9	G789	G789-Q791 PolarHBondContact O-N 2.65Å
792	S	91.9	Very high	92.7	Very high	15 Å²	15	48.7 Å²	48.7	11%	0.105	24%	0.244	C	C	.	.	S	Bend	trans	-78.8	151.8	-178.6	79.4	0	0	0	0	112.5	M787 G789 Q794 Y795 Q796	M787-S792 WeakPolarHBondContact O-CB 3.49Å; M787-S792 PolarHBondContact O-OG 2.95Å; G789-S792 WeakPolarHBondContact O-CB 3.44Å; G789-S792 PolarHBondContact O-N 3.48Å; G789-S792 VanDerWaalsContact O-N 3.14Å; G789-S792 PolarHBondContact O-OG 3.44Å; G789-S792 VanDerWaalsContact O-OG 3.07Å; S792-Q794 PolarHBondContact O-N 3.17Å; S792-Y795 PolarHBondContact O-N 3.45Å; S792-Y795 WeakPolarHBondContact OG-CB 3.43Å; S792-Y795 PolarHBondContact OG-N 3.27Å; S792-Q796 PolarHBondContact O-N 3.3Å
793	E	93.1	Very high	93	Very high	148 Å²	148	47.7 Å²	47.7	69%	0.692	24%	0.238	S	C	*	.	H	α-helix	trans	-60.9	-37.1	172.9	-173.7	-178.8	-178	0	0	111.1	Y795 Q796 E797	E793-Y795 VanDerWaalsContact C-N 3.3Å; E793-Y795 PolarHBondContact O-N 3Å; E793-Q796 WeakPolarHBondContact O-CB 3.39Å; E793-Q796 PolarHBondContact O-N 3.36Å; E793-Q796 VanDerWaalsContact O-N 3.15Å; E793-E797 PolarHBondContact O-N 2.79Å
794	Q	94.4	Very high	93.2	Very high	37 Å²	37	49.9 Å²	49.9	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-35.5	178.8	-64.9	71.2	31.1	0	0	111.8	P714 M722 V726 M787 S792 E797 F798	P714-Q794 VanDerWaalsContact CB-NE2 3.33Å; M722-Q794 HydrophobicContact CG-CG 3.82Å; M722-Q794 HydrophobicContact SD-CG 4.44Å; V726-Q794 HydrophobicContact CG2-CB 3.92Å; V726-Q794 HydrophobicContact CG2-CG 4.49Å; M787-Q794 HydrophobicContact CB-CB 4.19Å; M787-Q794 WeakPolarHBondContact O-CB 3.39Å; S792-Q794 PolarHBondContact O-N 3.17Å; Q794-E797 PolarHBondContact O-N 3.37Å; Q794-F798 WeakPolarHBondContact O-CB 3.2Å; Q794-F798 PolarHBondContact O-N 2.69Å
795	Y	94.4	Very high	93.5	Very high	9 Å²	9	49.6 Å²	49.6	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-70.7	-35.4	174.6	-178.4	-104.9	0	0	0	112.1	V784 M787 G789 T790 S792 E793 F798 R799 I863 V867	V784-Y795 HydrophobicContact CG1-CD2 3.94Å; V784-Y795 HydrophobicContact CG1-CE2 3.97Å; V784-Y795 HydrophobicContact CG2-CE2 4.14Å; M787-Y795 HydrophobicContact SD-CD2 4.12Å; G789-Y795 VanDerWaalsContact O-CB 3.29Å; G789-Y795 WeakPolarHBondContact O-CB 3.38Å; T790-Y795 HydrophobicContact CG2-CE1 4.29Å; T790-Y795 VanDerWaalsContact O-CD1 3.25Å; T790-Y795 WeakPolarHBondContact O-CD1 3.47Å; S792-Y795 PolarHBondContact O-N 3.45Å; S792-Y795 WeakPolarHBondContact OG-CB 3.43Å; S792-Y795 PolarHBondContact OG-N 3.27Å; E793-Y795 VanDerWaalsContact C-N 3.3Å; E793-Y795 PolarHBondContact O-N 3Å; Y795-F798 HydrophobicContact CD2-CD1 4.08Å; Y795-F798 AromaticContact CE2-CD1 3.99Å; Y795-F798 HydrophobicContact CE2-CD1 3.99Å; Y795-F798 HydrophobicContact CE2-CE1 4.25Å; Y795-F798 WeakPolarHBondContact O-CB 3.4Å; Y795-F798 PolarHBondContact O-N 3.1Å; Y795-R799 HydrophobicContact CE1-CG 4.22Å; Y795-R799 WeakPolarHBondContact O-CG 3.37Å; Y795-R799 PolarHBondContact O-N 2.63Å; Y795-R799 VanDerWaalsContact O-N 3.09Å; Y795-I863 WeakPolarHBondContact OH-CG2 3.45Å; Y795-V867 WeakPolarHBondContact OH-CG2 3.26Å
796	Q	94.4	Very high	93.8	Very high	118 Å²	118	44.9 Å²	44.9	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-65.1	-42	172.9	-65.2	-178.6	-0.1	0	0	111.5	S792 E793 R799 K800	S792-Q796 PolarHBondContact O-N 3.3Å; E793-Q796 WeakPolarHBondContact O-CB 3.39Å; E793-Q796 PolarHBondContact O-N 3.36Å; E793-Q796 VanDerWaalsContact O-N 3.15Å; Q796-R799 PolarHBondContact O-N 2.84Å; Q796-K800 PolarHBondContact O-N 2.88Å; Q796-K800 VanDerWaalsContact O-N 3.1Å
797	E	95.4	Very high	94.1	Very high	62 Å²	62	46.3 Å²	46.3	29%	0.29	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-42.1	175.1	-173.4	57.9	-154.8	0	0	111.2	V726 E793 Q794 R799 K800 Q801	V726-E797 HydrophobicContact CG1-CB 4.46Å; V726-E797 HydrophobicContact CG1-CG 4.41Å; E793-E797 PolarHBondContact O-N 2.79Å; Q794-E797 PolarHBondContact O-N 3.37Å; E797-R799 VanDerWaalsContact C-N 3.31Å; E797-R799 PolarHBondContact O-N 3.34Å; E797-K800 WeakPolarHBondContact O-CB 3.37Å; E797-K800 PolarHBondContact O-N 3.45Å; E797-K800 VanDerWaalsContact O-N 3.16Å; E797-K800 IonicContact OE2-NZ 3.44Å; E797-Q801 HydrophobicContact CG-CG 4.32Å; E797-Q801 VanDerWaalsContact O-CG 3.25Å; E797-Q801 WeakPolarHBondContact O-CG 3.46Å; E797-Q801 PolarHBondContact O-N 3.44Å; E797-Q801 PolarHBondContact OE1-NE2 2.93Å
798	F	96.6	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-51.8	-47.9	172.2	163.5	-98	0	0	0	112.3	V726 C729 A730 C733 M777 L779 M787 Q794 Y795 Q801 C802 I863	V726-F798 HydrophobicContact CG1-CB 3.98Å; C729-F798 HydrophobicContact CB-CD2 4.44Å; C729-F798 HydrophobicContact CB-CE2 4.36Å; A730-F798 VanDerWaalsContact CA-CE2 3.5Å; A730-F798 HydrophobicContact CB-CD2 3.73Å; A730-F798 HydrophobicContact CB-CE2 4.02Å; C733-F798 HydrophobicContact CB-CE2 4.44Å; C733-F798 HydrophobicContact CB-CZ 4.36Å; M777-F798 HydrophobicContact CE-CE1 4.42Å; M777-F798 HydrophobicContact CE-CZ 3.97Å; L779-F798 HydrophobicContact CD1-CZ 4.01Å; L779-F798 HydrophobicContact CD2-CE1 4.1Å; L779-F798 HydrophobicContact CD2-CZ 4.23Å; M787-F798 HydrophobicContact CE-CB 4.14Å; M787-F798 HydrophobicContact CE-CD2 3.44Å; M787-F798 VanDerWaalsContact CE-CD2 3.44Å; M787-F798 HydrophobicContact CE-CE2 3.9Å; M787-F798 HydrophobicContact CE-CG 3.78Å; M787-F798 HydrophobicContact SD-CB 3.65Å; M787-F798 HydrophobicContact SD-CD1 4.28Å; M787-F798 HydrophobicContact SD-CD2 4.05Å; M787-F798 HydrophobicContact SD-CG 3.74Å; Q794-F798 WeakPolarHBondContact O-CB 3.2Å; Q794-F798 PolarHBondContact O-N 2.69Å; Y795-F798 HydrophobicContact CD2-CD1 4.08Å; Y795-F798 AromaticContact CE2-CD1 3.99Å; Y795-F798 HydrophobicContact CE2-CD1 3.99Å; Y795-F798 HydrophobicContact CE2-CE1 4.25Å; Y795-F798 WeakPolarHBondContact O-CB 3.4Å; Y795-F798 PolarHBondContact O-N 3.1Å; F798-Q801 PolarHBondContact O-N 3.32Å; F798-C802 VanDerWaalsContact CZ-SG 3.58Å; F798-C802 PolarHBondContact O-N 2.98Å; F798-C802 PolarHBondContact O-SG 3.03Å; F798-I863 HydrophobicContact CE1-CG2 4.47Å
799	R	95.8	Very high	94.7	Very high	52 Å²	52	46 Å²	46	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-47.3	178.3	-71.8	177.4	87.7	-161.9	16	111.4	Y795 Q796 E797 Q801 C802 Y803 I863 D864	Y795-R799 HydrophobicContact CE1-CG 4.22Å; Y795-R799 WeakPolarHBondContact O-CG 3.37Å; Y795-R799 PolarHBondContact O-N 2.63Å; Y795-R799 VanDerWaalsContact O-N 3.09Å; Q796-R799 PolarHBondContact O-N 2.84Å; E797-R799 VanDerWaalsContact C-N 3.31Å; E797-R799 PolarHBondContact O-N 3.34Å; R799-Q801 VanDerWaalsContact C-N 3.33Å; R799-Q801 PolarHBondContact O-N 3.38Å; R799-C802 WeakPolarHBondContact O-CB 3.14Å; R799-C802 PolarHBondContact O-N 3.09Å; R799-C802 VanDerWaalsContact O-N 3.14Å; R799-Y803 HydrophobicContact CB-CE2 4Å; R799-Y803 PolarHBondContact NE-OH 3.38Å; R799-Y803 WeakPolarHBondContact O-CD1 3.35Å; R799-Y803 VanDerWaalsContact O-CD2 3.25Å; R799-Y803 WeakPolarHBondContact O-CD2 3.29Å; R799-Y803 WeakPolarHBondContact O-CE2 3.49Å; R799-Y803 PolarHBondContact O-N 3.49Å; R799-I863 HydrophobicContact CG-CD1 4.46Å; R799-I863 HydrophobicContact CG-CG2 4.49Å; R799-D864 IonicContact CZ-OD1 2.76Å; R799-D864 IonicContact NE-OD1 2.67Å; R799-D864 VanDerWaalsContact NH2-CG 3.3Å; R799-D864 IonicContact NH2-OD1 3.26Å; R799-D864 PolarHBondContact NH2-OD1 3.39Å; R799-D864 IonicContact NH2-OD2 3.93Å; R799-D864 PolarHBondContact NH2-OD2 2.85Å
800	K	96.1	Very high	95	Very high	120 Å²	120	46.3 Å²	46.3	52%	0.522	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-44	177.6	-177.7	-174.3	171	-165.4	0	111.9	Q796 E797 C802 Y803 T804	Q796-K800 PolarHBondContact O-N 2.88Å; Q796-K800 VanDerWaalsContact O-N 3.1Å; E797-K800 WeakPolarHBondContact O-CB 3.37Å; E797-K800 PolarHBondContact O-N 3.45Å; E797-K800 VanDerWaalsContact O-N 3.16Å; E797-K800 IonicContact OE2-NZ 3.44Å; K800-C802 VanDerWaalsContact C-N 3.32Å; K800-C802 PolarHBondContact O-N 3.2Å; K800-Y803 PolarHBondContact O-N 3.03Å; K800-T804 WeakPolarHBondContact O-CB 3.43Å; K800-T804 PolarHBondContact O-N 3.27Å; K800-T804 PolarHBondContact O-OG1 3.14Å
801	Q	97.2	Very high	95.2	Very high	19 Å²	19	50.8 Å²	50.8	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-40.5	175.9	-67.2	-65.5	-24.1	0	0	111.1	L663 L665 A730 E797 F798 R799 A805	L663-Q801 VanDerWaalsContact CD1-OE1 3.31Å; L665-Q801 HydrophobicContact CD2-CB 4.34Å; A730-Q801 HydrophobicContact CB-CB 3.65Å; E797-Q801 HydrophobicContact CG-CG 4.32Å; E797-Q801 VanDerWaalsContact O-CG 3.25Å; E797-Q801 WeakPolarHBondContact O-CG 3.46Å; E797-Q801 PolarHBondContact O-N 3.44Å; E797-Q801 PolarHBondContact OE1-NE2 2.93Å; F798-Q801 PolarHBondContact O-N 3.32Å; R799-Q801 VanDerWaalsContact C-N 3.33Å; R799-Q801 PolarHBondContact O-N 3.38Å; Q801-A805 WeakPolarHBondContact O-CB 3.35Å; Q801-A805 PolarHBondContact O-N 3.31Å
802	C	97.1	Very high	95.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-46.2	176.6	-68.7	0	0	0	0	112.6	V734 F798 R799 K800 F806 I863	V734-C802 HydrophobicContact CG2-CB 3.84Å; V734-C802 WeakPolarHBondContact CG2-O 3.2Å; F798-C802 VanDerWaalsContact CZ-SG 3.58Å; F798-C802 PolarHBondContact O-N 2.98Å; F798-C802 PolarHBondContact O-SG 3.03Å; R799-C802 WeakPolarHBondContact O-CB 3.14Å; R799-C802 PolarHBondContact O-N 3.09Å; R799-C802 VanDerWaalsContact O-N 3.14Å; K800-C802 VanDerWaalsContact C-N 3.32Å; K800-C802 PolarHBondContact O-N 3.2Å; C802-F806 WeakPolarHBondContact O-CB 3.33Å; C802-F806 PolarHBondContact O-N 2.7Å; C802-I863 HydrophobicContact CB-CD1 3.95Å
803	Y	95.8	Very high	95.6	Very high	34 Å²	34	44 Å²	44	13%	0.133	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-46	-179.8	-49.2	-31.2	0	0	0	111.3	R799 K800 F806 L807 V856 M859 Q860 I863	R799-Y803 HydrophobicContact CB-CE2 4Å; R799-Y803 PolarHBondContact NE-OH 3.38Å; R799-Y803 WeakPolarHBondContact O-CD1 3.35Å; R799-Y803 VanDerWaalsContact O-CD2 3.25Å; R799-Y803 WeakPolarHBondContact O-CD2 3.29Å; R799-Y803 WeakPolarHBondContact O-CE2 3.49Å; R799-Y803 PolarHBondContact O-N 3.49Å; K800-Y803 PolarHBondContact O-N 3.03Å; Y803-F806 PolarHBondContact O-N 2.73Å; Y803-L807 WeakPolarHBondContact O-CG 3.14Å; Y803-L807 PolarHBondContact O-N 3.22Å; Y803-V856 HydrophobicContact CD2-CG1 4.2Å; Y803-V856 HydrophobicContact CG-CG1 4.15Å; Y803-M859 HydrophobicContact CD1-CB 3.95Å; Y803-M859 HydrophobicContact CE1-CB 4.25Å; Y803-Q860 HydrophobicContact CE1-CB 4.21Å; Y803-I863 HydrophobicContact CE1-CD1 3.72Å
804	T	96.6	Very high	95.5	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.288	18%	0.176	S	C	.	.	H	α-helix	trans	-63	-47	-179.3	-49	0	0	0	0	110.4	L663 K800 F806 L807 H808	L663-T804 HydrophobicContact CD2-CG2 4Å; K800-T804 WeakPolarHBondContact O-CB 3.43Å; K800-T804 PolarHBondContact O-N 3.27Å; K800-T804 PolarHBondContact O-OG1 3.14Å; T804-F806 PolarHBondContact O-N 3.24Å; T804-L807 PolarHBondContact O-N 3.31Å; T804-H808 PolarHBondContact O-CD2 3.03Å; T804-H808 PolarHBondContact O-N 2.72Å
805	A	97.7	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-44.3	176.3	0	0	0	0	0	112.3	L658 L663 L665 V734 Q801 H808 L809	L658-A805 HydrophobicContact CD2-CB 4.36Å; L663-A805 HydrophobicContact CD2-CB 4.13Å; L665-A805 HydrophobicContact CD1-CB 3.64Å; V734-A805 HydrophobicContact CG1-CB 4.48Å; V734-A805 HydrophobicContact CG2-CB 4.36Å; Q801-A805 WeakPolarHBondContact O-CB 3.35Å; Q801-A805 PolarHBondContact O-N 3.31Å; A805-H808 PolarHBondContact O-N 3.35Å; A805-L809 WeakPolarHBondContact O-CB 3.16Å; A805-L809 WeakPolarHBondContact O-CG 3.48Å; A805-L809 PolarHBondContact O-N 3.33Å
806	F	97.7	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178.5	-177.3	-110.5	0	0	0	111.8	V734 Y737 I738 C802 Y803 T804 L809 R810 A855 M859	V734-F806 HydrophobicContact CG1-CB 4.09Å; V734-F806 HydrophobicContact CG1-CD2 4.26Å; Y737-F806 HydrophobicContact CD1-CE2 4.45Å; Y737-F806 AromaticContact CE1-CE2 3.99Å; Y737-F806 HydrophobicContact CE1-CE2 3.99Å; I738-F806 HydrophobicContact CD1-CD2 4.19Å; I738-F806 HydrophobicContact CG1-CD2 4.36Å; I738-F806 HydrophobicContact CG1-CE2 4.3Å; C802-F806 WeakPolarHBondContact O-CB 3.33Å; C802-F806 PolarHBondContact O-N 2.7Å; Y803-F806 PolarHBondContact O-N 2.73Å; T804-F806 PolarHBondContact O-N 3.24Å; F806-L809 PolarHBondContact O-N 2.96Å; F806-R810 VanDerWaalsContact O-CB 3.22Å; F806-R810 WeakPolarHBondContact O-CB 3.32Å; F806-R810 PolarHBondContact O-N 3.37Å; F806-A855 HydrophobicContact CE1-CB 4.09Å; F806-M859 HydrophobicContact CB-CE 4.42Å; F806-M859 HydrophobicContact CB-CG 4.16Å; F806-M859 HydrophobicContact CD1-CG 3.34Å; F806-M859 HydrophobicContact CD1-SD 4.04Å; F806-M859 HydrophobicContact CD2-CE 4.36Å; F806-M859 HydrophobicContact CD2-CG 4.26Å; F806-M859 HydrophobicContact CD2-SD 3.89Å; F806-M859 HydrophobicContact CE1-CG 3.68Å; F806-M859 HydrophobicContact CE1-SD 4.13Å; F806-M859 HydrophobicContact CE2-SD 4.02Å; F806-M859 HydrophobicContact CG-CE 4.33Å; F806-M859 HydrophobicContact CG-CG 3.66Å; F806-M859 HydrophobicContact CG-SD 3.9Å; F806-M859 HydrophobicContact CZ-CG 4.3Å; F806-M859 HydrophobicContact CZ-SD 4.13Å
807	L	96.8	Very high	95.3	Very high	32 Å²	32	31.7 Å²	31.7	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-43.7	178.1	-71	-179.7	0	0	0	112.7	Y803 T804 R810 R811 D852 A855 V856	Y803-L807 WeakPolarHBondContact O-CG 3.14Å; Y803-L807 PolarHBondContact O-N 3.22Å; T804-L807 PolarHBondContact O-N 3.31Å; L807-R810 WeakPolarHBondContact O-CB 3.36Å; L807-R810 PolarHBondContact O-N 2.94Å; L807-R811 WeakPolarHBondContact O-CG 3.27Å; L807-R811 PolarHBondContact O-N 3.22Å; L807-D852 HydrophobicContact CD2-CB 4.04Å; L807-A855 HydrophobicContact CD2-CB 4.32Å; L807-V856 HydrophobicContact CD1-CG2 3.66Å; L807-V856 HydrophobicContact CD2-CG2 4.18Å; L807-V856 HydrophobicContact CG-CG2 4.05Å
808	H	96.6	Very high	95.1	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.13	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-47.8	176.8	-72.2	-60.8	0	0	0	111.5	L658 E661 T804 A805 R810 R811 Y812	L658-H808 HydrophobicContact CD2-CB 3.84Å; E661-H808 HydrophobicContact CG-CB 4.36Å; E661-H808 IonicContact OE2-CE1 3.96Å; E661-H808 IonicContact OE2-ND1 3.59Å; E661-H808 PolarHBondContact OE2-ND1 2.93Å; T804-H808 PolarHBondContact O-CD2 3.03Å; T804-H808 PolarHBondContact O-N 2.72Å; A805-H808 PolarHBondContact O-N 3.35Å; H808-R810 VanDerWaalsContact C-N 3.26Å; H808-R810 PolarHBondContact O-N 3.11Å; H808-R811 WeakPolarHBondContact O-CB 3.12Å; H808-R811 PolarHBondContact O-N 3.4Å; H808-Y812 VanDerWaalsContact O-CD2 3.28Å; H808-Y812 WeakPolarHBondContact O-CD2 3.29Å
809	L	97	Very high	94.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-34.8	177.5	-67.9	178.4	0	0	0	112.3	M654 L658 V734 I735 I738 A805 F806 R811 Y812 S813 F846	M654-L809 HydrophobicContact CB-CD2 3.83Å; M654-L809 HydrophobicContact CG-CD2 3.82Å; M654-L809 HydrophobicContact SD-CD1 4.3Å; L658-L809 HydrophobicContact CD1-CD1 4.5Å; L658-L809 HydrophobicContact CD1-CD2 4.32Å; L658-L809 HydrophobicContact CD1-CG 4.48Å; L658-L809 HydrophobicContact CD2-CD2 4.05Å; L658-L809 HydrophobicContact CD2-CG 3.98Å; L658-L809 HydrophobicContact CG-CD2 3.94Å; L658-L809 HydrophobicContact CG-CG 4.3Å; V734-L809 HydrophobicContact CG1-CD1 4.09Å; I735-L809 HydrophobicContact CG1-CD1 4.17Å; I738-L809 HydrophobicContact CD1-CB 4.04Å; I738-L809 HydrophobicContact CD1-CD1 3.65Å; A805-L809 WeakPolarHBondContact O-CB 3.16Å; A805-L809 WeakPolarHBondContact O-CG 3.48Å; A805-L809 PolarHBondContact O-N 3.33Å; F806-L809 PolarHBondContact O-N 2.96Å; L809-R811 VanDerWaalsContact C-N 3.31Å; L809-R811 PolarHBondContact O-N 2.77Å; L809-Y812 CarbonylContact O-C 3.38Å; L809-Y812 PolarHBondContact O-N 3.5Å; L809-Y812 VanDerWaalsContact O-N 3.14Å; L809-S813 PolarHBondContact O-N 2.9Å; L809-F846 HydrophobicContact CB-CE1 4.2Å; L809-F846 WeakPolarHBondContact O-CE1 3.25Å
810	R	95.5	Very high	94.7	Very high	26 Å²	26	26.5 Å²	26.5	10%	0.098	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-35.4	177.2	-166.9	177.1	177.7	-96.4	-8	112.7	F806 L807 H808 Y812 S813 F846 R847 L848 L850 D852	F806-R810 VanDerWaalsContact O-CB 3.22Å; F806-R810 WeakPolarHBondContact O-CB 3.32Å; F806-R810 PolarHBondContact O-N 3.37Å; L807-R810 WeakPolarHBondContact O-CB 3.36Å; L807-R810 PolarHBondContact O-N 2.94Å; H808-R810 VanDerWaalsContact C-N 3.26Å; H808-R810 PolarHBondContact O-N 3.11Å; R810-Y812 VanDerWaalsContact C-N 3.29Å; R810-Y812 PolarHBondContact O-N 2.91Å; R810-S813 VanDerWaalsContact O-CB 3.23Å; R810-S813 WeakPolarHBondContact O-CB 3.43Å; R810-S813 PolarHBondContact O-N 3.44Å; R810-S813 PolarHBondContact O-OG 3.42Å; R810-F846 HydrophobicContact CB-CD1 4.31Å; R810-F846 WeakPolarHBondContact CD-O 3.2Å; R810-F846 HydrophobicContact CG-CD1 4.48Å; R810-F846 PolarHBondContact NE-O 2.7Å; R810-F846 VanDerWaalsContact NE-O 3.1Å; R810-R847 PolarHBondContact NE-O 3.25Å; R810-R847 PolarHBondContact NH2-O 3.46Å; R810-L848 HydrophobicContact CG-CD2 3.94Å; R810-L850 PolarHBondContact NH2-O 2.78Å; R810-D852 IonicContact NH1-OD1 3.41Å; R810-D852 PolarHBondContact NH1-OD1 2.83Å
811	R	92.4	Very high	94.5	Very high	149 Å²	149	22 Å²	22	56%	0.562	10%	0.102	S	C	*	.	H	α-helix	trans	-65.6	-30.1	174.4	-67	172.8	-176.7	174.9	2.3	113.2	L807 H808 L809	L807-R811 WeakPolarHBondContact O-CG 3.27Å; L807-R811 PolarHBondContact O-N 3.22Å; H808-R811 WeakPolarHBondContact O-CB 3.12Å; H808-R811 PolarHBondContact O-N 3.4Å; L809-R811 VanDerWaalsContact C-N 3.31Å; L809-R811 PolarHBondContact O-N 2.77Å
812	Y	93.3	Very high	94.2	Very high	35 Å²	35	21.1 Å²	21.1	14%	0.137	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14.5	177.3	-64.2	-76.8	0	0	0	113.2	L657 E661 H808 L809 R810 N814 L815 I816	L657-Y812 HydrophobicContact CB-CD2 4.25Å; L657-Y812 HydrophobicContact CD1-CG 4.1Å; L657-Y812 HydrophobicContact CD2-CD1 3.82Å; L657-Y812 HydrophobicContact CD2-CD2 4.34Å; L657-Y812 HydrophobicContact CD2-CE1 4.04Å; L657-Y812 HydrophobicContact CD2-CG 3.99Å; L657-Y812 HydrophobicContact CG-CG 4.44Å; E661-Y812 HydrophobicContact CG-CE2 4.01Å; E661-Y812 PolarHBondContact OE1-OH 3.29Å; H808-Y812 VanDerWaalsContact O-CD2 3.28Å; H808-Y812 WeakPolarHBondContact O-CD2 3.29Å; L809-Y812 CarbonylContact O-C 3.38Å; L809-Y812 PolarHBondContact O-N 3.5Å; L809-Y812 VanDerWaalsContact O-N 3.14Å; R810-Y812 VanDerWaalsContact C-N 3.29Å; R810-Y812 PolarHBondContact O-N 2.91Å; Y812-N814 VanDerWaalsContact C-N 3.29Å; Y812-N814 PolarHBondContact O-N 3.36Å; Y812-L815 PolarHBondContact O-N 3.25Å; Y812-I816 PolarHBondContact O-N 3.25Å
813	S	93.6	Very high	93.9	Very high	7 Å²	7	21.3 Å²	21.3	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-56.9	-39.4	-176.9	53.3	0	0	0	0	112.9	L809 R810 L815 I816 L817	L809-S813 PolarHBondContact O-N 2.9Å; R810-S813 VanDerWaalsContact O-CB 3.23Å; R810-S813 WeakPolarHBondContact O-CB 3.43Å; R810-S813 PolarHBondContact O-N 3.44Å; R810-S813 PolarHBondContact O-OG 3.42Å; S813-L815 PolarHBondContact O-N 3.25Å; S813-I816 PolarHBondContact O-N 2.86Å; S813-L817 WeakPolarHBondContact O-CB 3.4Å; S813-L817 WeakPolarHBondContact O-CG 3.36Å; S813-L817 PolarHBondContact O-N 3.2Å
814	N	90.8	Very high	93.4	Very high	49 Å²	49	20.8 Å²	20.8	26%	0.262	10%	0.1	S	C	.	.	H	α-helix	trans	-57	-45.5	179	-72.1	-8.5	0	0	0	112.7	P304 Y812 L817 N818	P304-N814 VanDerWaalsContact CD-OD1 3.28Å; P304-N814 WeakPolarHBondContact CD-OD1 3.44Å; P304-N814 HydrophobicContact CG-CB 4.34Å; Y812-N814 VanDerWaalsContact C-N 3.29Å; Y812-N814 PolarHBondContact O-N 3.36Å; N814-L817 PolarHBondContact O-N 3.06Å; N814-N818 WeakPolarHBondContact O-CB 3.24Å; N814-N818 PolarHBondContact O-N 2.87Å; N814-N818 PolarHBondContact O-ND2 2.89Å
815	L	92.5	Very high	92.8	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-48.4	177.2	172.6	59.8	0	0	0	110.9	E361 L364 Y395 L653 L657 Y812 S813 L817 N818 L819	E361-L815 HydrophobicContact CB-CD1 4.02Å; E361-L815 HydrophobicContact CB-CD2 4.42Å; E361-L815 HydrophobicContact CG-CD1 4.3Å; E361-L815 HydrophobicContact CG-CD2 4.03Å; L364-L815 HydrophobicContact CD1-CD1 3.64Å; Y395-L815 HydrophobicContact CE1-CD1 3.98Å; Y395-L815 HydrophobicContact CE1-CD2 4.37Å; L653-L815 HydrophobicContact CD1-CD2 4.26Å; L653-L815 HydrophobicContact CD2-CD2 4.27Å; L653-L815 HydrophobicContact CD2-CG 4.38Å; L657-L815 HydrophobicContact CD1-CD2 4.38Å; L657-L815 HydrophobicContact CD2-CD2 4.35Å; Y812-L815 PolarHBondContact O-N 3.25Å; S813-L815 PolarHBondContact O-N 3.25Å; L815-L817 VanDerWaalsContact C-N 3.34Å; L815-L817 PolarHBondContact O-N 2.9Å; L815-N818 PolarHBondContact O-N 3.26Å; L815-L819 HydrophobicContact CD1-CD1 4.17Å; L815-L819 HydrophobicContact CD1-CG 4.26Å; L815-L819 HydrophobicContact CG-CD1 4.29Å; L815-L819 WeakPolarHBondContact O-CG 3.34Å; L815-L819 PolarHBondContact O-N 3.09Å
816	I	93.9	Very high	92	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-43.8	-179.6	-63.3	164.6	0	0	0	110.3	M654 Y812 S813 L819 F820 F846	M654-I816 HydrophobicContact CE-CD1 3.78Å; M654-I816 HydrophobicContact CE-CG2 4.18Å; M654-I816 HydrophobicContact CG-CD1 4.22Å; Y812-I816 PolarHBondContact O-N 3.25Å; S813-I816 PolarHBondContact O-N 2.86Å; I816-L819 PolarHBondContact O-N 3.3Å; I816-F820 HydrophobicContact CG2-CD2 3.92Å; I816-F820 HydrophobicContact CG2-CE2 3.91Å; I816-F820 VanDerWaalsContact O-CD2 3.29Å; I816-F820 WeakPolarHBondContact O-CD2 3.31Å; I816-F820 PolarHBondContact O-N 3.24Å; I816-F846 HydrophobicContact CB-CZ 4.42Å; I816-F846 HydrophobicContact CD1-CE1 4.5Å; I816-F846 HydrophobicContact CD1-CZ 3.77Å; I816-F846 HydrophobicContact CG2-CE2 4.26Å; I816-F846 HydrophobicContact CG2-CZ 4.3Å
817	L	92.7	Very high	91.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-40.2	177.3	-67.1	174.3	0	0	0	112.3	S813 N814 L815 F820 S821 V839 V842 Q843 L848	S813-L817 WeakPolarHBondContact O-CB 3.4Å; S813-L817 WeakPolarHBondContact O-CG 3.36Å; S813-L817 PolarHBondContact O-N 3.2Å; N814-L817 PolarHBondContact O-N 3.06Å; L815-L817 VanDerWaalsContact C-N 3.34Å; L815-L817 PolarHBondContact O-N 2.9Å; L817-F820 PolarHBondContact O-N 3.27Å; L817-S821 WeakPolarHBondContact O-CB 3.42Å; L817-S821 PolarHBondContact O-N 3.17Å; L817-V839 HydrophobicContact CB-CG1 4.24Å; L817-V839 HydrophobicContact CD2-CG1 3.88Å; L817-V842 HydrophobicContact CD2-CB 4.22Å; L817-V842 HydrophobicContact CD2-CG1 4.09Å; L817-Q843 HydrophobicContact CD1-CB 4.16Å; L817-Q843 HydrophobicContact CD1-CG 4.18Å; L817-Q843 HydrophobicContact CD2-CB 3.79Å; L817-L848 HydrophobicContact CD1-CD1 4.32Å
818	N	91.9	Very high	90.4	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-43	175.3	-72.5	-19.2	0	0	0	111.1	P304 N814 L815 S821 L822	P304-N818 WeakPolarHBondContact CB-OD1 3.39Å; P304-N818 WeakPolarHBondContact CG-OD1 3.44Å; N814-N818 WeakPolarHBondContact O-CB 3.24Å; N814-N818 PolarHBondContact O-N 2.87Å; N814-N818 PolarHBondContact O-ND2 2.89Å; L815-N818 PolarHBondContact O-N 3.26Å; N818-S821 WeakPolarHBondContact O-CB 3.45Å; N818-S821 PolarHBondContact O-N 2.99Å; N818-L822 WeakPolarHBondContact O-CG 3.39Å; N818-L822 PolarHBondContact O-N 3.26Å; N818-L822 VanDerWaalsContact O-N 3.1Å
819	L	92.8	Very high	89.4	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-42.6	176.5	-67.5	172	0	0	0	112.1	L364 Y395 Q398 I650 L653 L815 I816 S821 L822 M823	L364-L819 HydrophobicContact CD1-CD2 3.93Å; Y395-L819 HydrophobicContact CD1-CD1 3.98Å; Y395-L819 HydrophobicContact CD1-CD2 3.64Å; Y395-L819 HydrophobicContact CD1-CG 4.41Å; Y395-L819 HydrophobicContact CE1-CD1 4.11Å; Y395-L819 HydrophobicContact CE1-CD2 4.41Å; Y395-L819 HydrophobicContact CG-CD2 4.21Å; Q398-L819 HydrophobicContact CB-CD2 3.97Å; Q398-L819 HydrophobicContact CG-CB 4.04Å; Q398-L819 HydrophobicContact CG-CD2 3.65Å; Q398-L819 HydrophobicContact CG-CG 4.44Å; Q398-L819 WeakPolarHBondContact CG-O 3.38Å; I650-L819 HydrophobicContact CD1-CB 4.18Å; I650-L819 HydrophobicContact CD1-CD1 4.09Å; L653-L819 HydrophobicContact CD2-CD1 3.2Å; L815-L819 HydrophobicContact CD1-CD1 4.17Å; L815-L819 HydrophobicContact CD1-CG 4.26Å; L815-L819 HydrophobicContact CG-CD1 4.29Å; L815-L819 WeakPolarHBondContact O-CG 3.34Å; L815-L819 PolarHBondContact O-N 3.09Å; I816-L819 PolarHBondContact O-N 3.3Å; L819-S821 VanDerWaalsContact C-N 3.33Å; L819-L822 PolarHBondContact O-N 3.02Å; L819-M823 WeakPolarHBondContact O-CG 3.29Å; L819-M823 PolarHBondContact O-N 3.17Å
820	F	91.8	Very high	88.3	Confident	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-38.2	173	-86	-73.3	0	0	0	112.2	L646 I650 L739 I816 L817 L822 M823 V824 T838 V839 V842	L646-F820 HydrophobicContact CD2-CE1 4.41Å; I650-F820 HydrophobicContact CD1-CE2 4.44Å; I650-F820 HydrophobicContact CG1-CE2 4.23Å; I650-F820 HydrophobicContact CG1-CZ 4.18Å; I650-F820 HydrophobicContact CG2-CE2 4.24Å; L739-F820 HydrophobicContact CD2-CE2 3.79Å; L739-F820 HydrophobicContact CD2-CZ 3.73Å; I816-F820 HydrophobicContact CG2-CD2 3.92Å; I816-F820 HydrophobicContact CG2-CE2 3.91Å; I816-F820 VanDerWaalsContact O-CD2 3.29Å; I816-F820 WeakPolarHBondContact O-CD2 3.31Å; I816-F820 PolarHBondContact O-N 3.24Å; L817-F820 PolarHBondContact O-N 3.27Å; F820-L822 PolarHBondContact O-N 2.89Å; F820-M823 PolarHBondContact O-N 3.27Å; F820-V824 WeakPolarHBondContact O-CG2 3.33Å; F820-V824 PolarHBondContact O-N 3.25Å; F820-T838 HydrophobicContact CD1-CG2 4.25Å; F820-V839 HydrophobicContact CB-CG2 4.35Å; F820-V842 HydrophobicContact CD2-CG1 4.33Å; F820-V842 HydrophobicContact CD2-CG2 4.32Å; F820-V842 HydrophobicContact CE2-CG1 4.39Å; F820-V842 HydrophobicContact CE2-CG2 4.32Å
821	S	90.1	Very high	87.5	Confident	25 Å²	25	23.4 Å²	23.4	18%	0.175	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-32.3	176.9	-172.8	0	0	0	0	112.8	L817 N818 L819 M823	L817-S821 WeakPolarHBondContact O-CB 3.42Å; L817-S821 PolarHBondContact O-N 3.17Å; N818-S821 WeakPolarHBondContact O-CB 3.45Å; N818-S821 PolarHBondContact O-N 2.99Å; L819-S821 VanDerWaalsContact C-N 3.33Å; S821-M823 VanDerWaalsContact C-N 3.3Å
822	L	91.3	Very high	86.6	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-76.8	-16	176.3	-66.6	176.7	0	0	0	113.2	L364 L367 Q398 Q401 A402 Y405 N818 L819 F820	L364-L822 HydrophobicContact CB-CD1 4.48Å; L367-L822 HydrophobicContact CB-CD2 4.39Å; Q398-L822 HydrophobicContact CB-CB 3.95Å; Q398-L822 HydrophobicContact CB-CD1 3.94Å; Q398-L822 HydrophobicContact CG-CB 4.4Å; Q401-L822 WeakPolarHBondContact CB-O 3.42Å; A402-L822 HydrophobicContact CB-CD2 4.07Å; Y405-L822 HydrophobicContact CE2-CD2 4.36Å; N818-L822 WeakPolarHBondContact O-CG 3.39Å; N818-L822 PolarHBondContact O-N 3.26Å; N818-L822 VanDerWaalsContact O-N 3.1Å; L819-L822 PolarHBondContact O-N 3.02Å; F820-L822 PolarHBondContact O-N 2.89Å
823	M	90.9	Very high	85.6	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-98	-4.4	-178.5	-63.1	-59	-61.1	0	0	114.1	L397 Q398 Q401 L646 L819 F820 S821 D825 A826 I828	L397-M823 HydrophobicContact CD2-CE 3.95Å; L397-M823 HydrophobicContact CD2-SD 4.5Å; L397-M823 HydrophobicContact CG-CE 4.01Å; L397-M823 HydrophobicContact CG-SD 4.2Å; Q398-M823 HydrophobicContact CB-SD 4.39Å; Q398-M823 HydrophobicContact CG-CG 3.88Å; Q398-M823 HydrophobicContact CG-SD 3.79Å; Q401-M823 HydrophobicContact CB-SD 4.26Å; Q401-M823 HydrophobicContact CG-CE 3.95Å; Q401-M823 HydrophobicContact CG-SD 3.62Å; L646-M823 HydrophobicContact CD1-CE 4.21Å; L646-M823 HydrophobicContact CD1-CG 3.83Å; L646-M823 HydrophobicContact CD1-SD 4.36Å; L646-M823 HydrophobicContact CD2-CB 4.25Å; L646-M823 HydrophobicContact CD2-CE 4.22Å; L646-M823 HydrophobicContact CD2-CG 4.17Å; L819-M823 WeakPolarHBondContact O-CG 3.29Å; L819-M823 PolarHBondContact O-N 3.17Å; F820-M823 PolarHBondContact O-N 3.27Å; S821-M823 VanDerWaalsContact C-N 3.3Å; M823-D825 VanDerWaalsContact C-N 3.25Å; M823-D825 PolarHBondContact O-N 2.96Å; M823-A826 HydrophobicContact CE-CB 3.66Å; M823-A826 WeakPolarHBondContact O-CB 3.42Å; M823-A826 PolarHBondContact O-N 2.89Å; M823-I828 HydrophobicContact CE-CD1 3.42Å; M823-I828 VanDerWaalsContact CE-CD1 3.42Å
824	V	86.1	Confident	84.9	Confident	24 Å²	24	24.7 Å²	24.7	15%	0.145	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-40.3	-175.4	176.2	0	0	0	0	111.9	F820 P835 V839	F820-V824 WeakPolarHBondContact O-CG2 3.33Å; F820-V824 PolarHBondContact O-N 3.25Å; V824-P835 HydrophobicContact CG1-CB 3.46Å; V824-P835 VanDerWaalsContact CG1-CB 3.46Å; V824-V839 HydrophobicContact CG2-CG2 3.89Å
825	D	82.9	Confident	84.1	Confident	82 Å²	82	24.2 Å²	24.2	44%	0.439	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.3	-178.5	-62	-27.9	0	0	0	113.5	K404 Y405 M823 N827	K404-D825 PolarHBondContact NZ-O 3.49Å; Y405-D825 WeakPolarHBondContact CE1-OD2 3.47Å; Y405-D825 PolarHBondContact OH-OD2 3.38Å; M823-D825 VanDerWaalsContact C-N 3.25Å; M823-D825 PolarHBondContact O-N 2.96Å; D825-N827 VanDerWaalsContact C-N 3.26Å; D825-N827 PolarHBondContact O-N 3.44Å
826	A	81.5	Confident	83.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-80	3	-177.2	0	0	0	0	0	114.8	Q401 M823 I828	Q401-A826 HydrophobicContact CG-CB 3.94Å; M823-A826 HydrophobicContact CE-CB 3.66Å; M823-A826 WeakPolarHBondContact O-CB 3.42Å; M823-A826 PolarHBondContact O-N 2.89Å; A826-I828 HydrophobicContact CB-CD1 4.02Å; A826-I828 HydrophobicContact CB-CG1 4Å; A826-I828 PolarHBondContact O-N 3.45Å; A826-I828 VanDerWaalsContact O-N 3.11Å
827	N	80.7	Confident	82.7	Confident	27 Å²	27	36.7 Å²	36.7	14%	0.144	20%	0.202	C	C	.	.			trans	51.8	31.5	-178.1	-163.2	44	0	0	0	114.2	D503 D505 D825	D503-N827 PolarHBondContact OD2-ND2 3.26Å; D505-N827 WeakPolarHBondContact CB-ND2 3.39Å; D825-N827 VanDerWaalsContact C-N 3.26Å; D825-N827 PolarHBondContact O-N 3.44Å
828	I	81.1	Confident	82.3	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.015	20%	0.203	C	C	.	.			trans	-76.3	136.6	176.5	-66.1	175.6	0	0	0	109	R642 Q643 L646 M823 A826 D830 I831 A832	R642-I828 HydrophobicContact CB-CG1 4.23Å; Q643-I828 HydrophobicContact CB-CG2 3.78Å; Q643-I828 HydrophobicContact CG-CG2 4.17Å; L646-I828 HydrophobicContact CB-CD1 4.39Å; L646-I828 HydrophobicContact CD2-CD1 3.82Å; M823-I828 HydrophobicContact CE-CD1 3.42Å; M823-I828 VanDerWaalsContact CE-CD1 3.42Å; A826-I828 HydrophobicContact CB-CD1 4.02Å; A826-I828 HydrophobicContact CB-CG1 4Å; A826-I828 PolarHBondContact O-N 3.45Å; A826-I828 VanDerWaalsContact O-N 3.11Å; I828-D830 PolarHBondContact O-N 3.47Å; I828-I831 HydrophobicContact CB-CB 4.24Å; I828-I831 HydrophobicContact CB-CD1 4.21Å; I828-I831 HydrophobicContact CB-CG1 4.43Å; I828-I831 HydrophobicContact CD1-CD1 4.23Å; I828-I831 HydrophobicContact CG2-CD1 4.25Å; I828-I831 HydrophobicContact CG2-CG1 4.38Å; I828-I831 PolarHBondContact O-N 3.45Å; I828-I831 VanDerWaalsContact O-N 3.12Å; I828-A832 VanDerWaalsContact O-CB 3.22Å; I828-A832 WeakPolarHBondContact O-CB 3.48Å; I828-A832 PolarHBondContact O-N 2.91Å
829	P	74.1	Confident	82.1	Confident	57 Å²	57	37.3 Å²	37.3	37%	0.37	21%	0.206	S	C	.	.	H	α-helix	trans	-47.7	-55.9	-167.2	-30.6	34.9	0	0	0	115.7
830	D	74.3	Confident	81.8	Confident	19 Å²	19	43.2 Å²	43.2	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-73.5	-34.6	-177.9	-93	-10.6	0	0	0	113.6	Q643 Y764 I765 R768 I828	Q643-D830 PolarHBondContact NE2-OD2 2.97Å; Q643-D830 VanDerWaalsContact OE1-N 3.17Å; Y764-D830 WeakPolarHBondContact CA-OD2 3.23Å; I765-D830 HydrophobicContact CD1-CB 4.19Å; I765-D830 HydrophobicContact CG1-CB 3.65Å; I765-D830 PolarHBondContact N-OD2 3.33Å; R768-D830 IonicContact CZ-OD1 2.59Å; R768-D830 VanDerWaalsContact NH1-CA 3.33Å; R768-D830 PolarHBondContact NH1-O 3.08Å; R768-D830 IonicContact NH1-OD1 2.68Å; R768-D830 PolarHBondContact NH1-OD1 3.28Å; I828-D830 PolarHBondContact O-N 3.47Å
831	I	78.1	Confident	81.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-44.6	-179.8	-64.5	178.1	0	0	0	110.5	L646 I765 L766 I828 L833 E834 P835 T838	L646-I831 HydrophobicContact CD2-CD1 3.51Å; I765-I831 HydrophobicContact CD1-CG1 4.39Å; L766-I831 HydrophobicContact CD1-CG1 3.99Å; I828-I831 HydrophobicContact CB-CB 4.24Å; I828-I831 HydrophobicContact CB-CD1 4.21Å; I828-I831 HydrophobicContact CB-CG1 4.43Å; I828-I831 HydrophobicContact CD1-CD1 4.23Å; I828-I831 HydrophobicContact CG2-CD1 4.25Å; I828-I831 HydrophobicContact CG2-CG1 4.38Å; I828-I831 PolarHBondContact O-N 3.45Å; I828-I831 VanDerWaalsContact O-N 3.12Å; I831-L833 PolarHBondContact O-N 3.47Å; I831-L833 VanDerWaalsContact O-N 3.07Å; I831-E834 CarbonylContact O-C 3.54Å; I831-E834 PolarHBondContact O-N 3.02Å; I831-E834 VanDerWaalsContact O-N 3.12Å; I831-P835 VanDerWaalsContact O-N 3.17Å; I831-T838 HydrophobicContact CG1-CG2 4.35Å; I831-T838 HydrophobicContact CG2-CG2 4.23Å
832	A	73.4	Confident	81.8	Confident	40 Å²	40	44.8 Å²	44.8	33%	0.331	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-20.1	-177.7	0	0	0	0	0	113.4	I828	I828-A832 VanDerWaalsContact O-CB 3.22Å; I828-A832 WeakPolarHBondContact O-CB 3.48Å; I828-A832 PolarHBondContact O-N 2.91Å
833	L	74.1	Confident	81.9	Confident	120 Å²	120	46.3 Å²	46.3	63%	0.628	24%	0.242	S	C	*	.	H	α-helix	trans	-80.2	-29.3	178.9	-77	165.9	0	0	0	113.1	I831	I831-L833 PolarHBondContact O-N 3.47Å; I831-L833 VanDerWaalsContact O-N 3.07Å
834	E	76.9	Confident	81.9	Confident	58 Å²	58	50.3 Å²	50.3	27%	0.271	26%	0.264	S	S	.	.	S	Bend	trans	-143.1	65.5	174.5	-67.1	-168.1	119.2	0	0	111.8	I831 D836 K837 T838 K841	I831-E834 CarbonylContact O-C 3.54Å; I831-E834 PolarHBondContact O-N 3.02Å; I831-E834 VanDerWaalsContact O-N 3.12Å; E834-D836 PolarHBondContact O-N 3.12Å; E834-K837 HydrophobicContact CB-CB 4.37Å; E834-K837 PolarHBondContact O-N 3.23Å; E834-K837 IonicContact OE1-NZ 3.34Å; E834-K837 PolarHBondContact OE1-NZ 2.98Å; E834-T838 PolarHBondContact O-N 3.5Å; E834-T838 PolarHBondContact O-OG1 3.02Å; E834-K841 WeakPolarHBondContact OE2-CE 3.25Å; E834-K841 IonicContact OE2-NZ 3.55Å; E834-K841 PolarHBondContact OE2-NZ 3.33Å
835	P	75.1	Confident	82.3	Confident	40 Å²	40	52.2 Å²	52.2	26%	0.26	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-48.9	-173.8	20.6	-31.5	0	0	0	112.3	V824 I831 K837 T838	V824-P835 HydrophobicContact CG1-CB 3.46Å; V824-P835 VanDerWaalsContact CG1-CB 3.46Å; I831-P835 VanDerWaalsContact O-N 3.17Å; P835-K837 PolarHBondContact O-N 3.38Å; P835-K837 VanDerWaalsContact O-N 3.09Å; P835-T838 WeakPolarHBondContact O-CB 3.45Å; P835-T838 PolarHBondContact O-N 3.43Å; P835-T838 VanDerWaalsContact O-N 3.1Å
836	D	73.4	Confident	82.8	Confident	156 Å²	156	48.3 Å²	48.3	83%	0.834	25%	0.249	S	C	*	.	H	α-helix	trans	-62	-23.7	-177.1	-57.3	-32.8	0	0	0	114.1	E834	E834-D836 PolarHBondContact O-N 3.12Å
837	K	82.7	Confident	83.3	Confident	109 Å²	109	51.2 Å²	51.2	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-99.3	-13.3	-178.7	-59.8	-177.1	-166.3	162.1	0	112.9	E834 P835 V839 K840 K841	E834-K837 HydrophobicContact CB-CB 4.37Å; E834-K837 PolarHBondContact O-N 3.23Å; E834-K837 IonicContact OE1-NZ 3.34Å; E834-K837 PolarHBondContact OE1-NZ 2.98Å; P835-K837 PolarHBondContact O-N 3.38Å; P835-K837 VanDerWaalsContact O-N 3.09Å; K837-V839 PolarHBondContact O-N 3.48Å; K837-K840 PolarHBondContact O-N 3.48Å; K837-K841 WeakPolarHBondContact O-CG 3.28Å; K837-K841 PolarHBondContact O-N 2.88Å
838	T	84.1	Confident	83.8	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-54.3	-172.1	-72.8	0	0	0	0	111.6	L766 F820 I831 E834 P835 K840 K841 V842	L766-T838 HydrophobicContact CD1-CG2 3.53Å; L766-T838 HydrophobicContact CD2-CG2 4.33Å; F820-T838 HydrophobicContact CD1-CG2 4.25Å; I831-T838 HydrophobicContact CG1-CG2 4.35Å; I831-T838 HydrophobicContact CG2-CG2 4.23Å; E834-T838 PolarHBondContact O-N 3.5Å; E834-T838 PolarHBondContact O-OG1 3.02Å; P835-T838 WeakPolarHBondContact O-CB 3.45Å; P835-T838 PolarHBondContact O-N 3.43Å; P835-T838 VanDerWaalsContact O-N 3.1Å; T838-K840 VanDerWaalsContact C-N 3.35Å; T838-K840 PolarHBondContact O-N 3.36Å; T838-K841 PolarHBondContact O-N 3.35Å; T838-V842 PolarHBondContact O-N 3.41Å
839	V	87.9	Confident	84.2	Confident	15 Å²	15	57.4 Å²	57.4	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-40.8	-179.8	-171.5	0	0	0	0	111	T305 L817 F820 V824 K837 K841 V842 Q843	T305-V839 HydrophobicContact CG2-CB 4.25Å; T305-V839 HydrophobicContact CG2-CG1 3.43Å; T305-V839 VanDerWaalsContact CG2-CG1 3.43Å; L817-V839 HydrophobicContact CB-CG1 4.24Å; L817-V839 HydrophobicContact CD2-CG1 3.88Å; F820-V839 HydrophobicContact CB-CG2 4.35Å; V824-V839 HydrophobicContact CG2-CG2 3.89Å; K837-V839 PolarHBondContact O-N 3.48Å; V839-K841 PolarHBondContact O-N 3.44Å; V839-V842 PolarHBondContact O-N 2.94Å; V839-Q843 WeakPolarHBondContact O-CB 3.37Å; V839-Q843 PolarHBondContact O-N 3.26Å
840	K	88.3	Confident	85.1	Confident	125 Å²	125	56.4 Å²	56.4	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-43	179.9	-172.4	174	-178.8	176.2	0	112.3	K837 T838 V842 Q843 D844	K837-K840 PolarHBondContact O-N 3.48Å; T838-K840 VanDerWaalsContact C-N 3.35Å; T838-K840 PolarHBondContact O-N 3.36Å; K840-V842 VanDerWaalsContact C-N 3.33Å; K840-V842 PolarHBondContact O-N 3.11Å; K840-Q843 WeakPolarHBondContact O-CB 3.49Å; K840-Q843 PolarHBondContact O-N 2.89Å; K840-D844 WeakPolarHBondContact O-CB 3.28Å; K840-D844 PolarHBondContact O-N 3.44Å
841	K	89.4	Confident	86	Confident	57 Å²	57	57.6 Å²	57.6	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-41.6	177.8	-74.3	-176.3	-175.8	178.2	0	112.4	L766 E834 K837 T838 V839 K845	L766-K841 HydrophobicContact CB-CD 4.24Å; L766-K841 WeakPolarHBondContact O-CD 3.16Å; L766-K841 PolarHBondContact O-NZ 2.95Å; L766-K841 VanDerWaalsContact O-NZ 3.08Å; E834-K841 WeakPolarHBondContact OE2-CE 3.25Å; E834-K841 IonicContact OE2-NZ 3.55Å; E834-K841 PolarHBondContact OE2-NZ 3.33Å; K837-K841 WeakPolarHBondContact O-CG 3.28Å; K837-K841 PolarHBondContact O-N 2.88Å; T838-K841 PolarHBondContact O-N 3.35Å; V839-K841 PolarHBondContact O-N 3.44Å; K841-K845 WeakPolarHBondContact O-CG 3.44Å; K841-K845 PolarHBondContact O-N 2.89Å
842	V	91.7	Very high	86.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-43	176.1	178.3	0	0	0	0	110.4	I738 L766 L817 F820 T838 V839 K840 D844 K845 F846	I738-V842 HydrophobicContact CG2-CG1 4.39Å; L766-V842 HydrophobicContact CD2-CG2 3.44Å; L766-V842 VanDerWaalsContact CD2-CG2 3.44Å; L817-V842 HydrophobicContact CD2-CB 4.22Å; L817-V842 HydrophobicContact CD2-CG1 4.09Å; F820-V842 HydrophobicContact CD2-CG1 4.33Å; F820-V842 HydrophobicContact CD2-CG2 4.32Å; F820-V842 HydrophobicContact CE2-CG1 4.39Å; F820-V842 HydrophobicContact CE2-CG2 4.32Å; T838-V842 PolarHBondContact O-N 3.41Å; V839-V842 PolarHBondContact O-N 2.94Å; K840-V842 VanDerWaalsContact C-N 3.33Å; K840-V842 PolarHBondContact O-N 3.11Å; V842-D844 PolarHBondContact O-N 3.27Å; V842-K845 WeakPolarHBondContact O-CB 3.43Å; V842-K845 PolarHBondContact O-N 3.36Å; V842-K845 VanDerWaalsContact O-N 3.17Å; V842-F846 HydrophobicContact CG1-CD2 4.2Å; V842-F846 HydrophobicContact CG1-CE2 3.76Å; V842-F846 VanDerWaalsContact O-CD2 3.3Å; V842-F846 WeakPolarHBondContact O-CD2 3.3Å; V842-F846 PolarHBondContact O-N 2.83Å
843	Q	92.6	Very high	87.8	Confident	33 Å²	33	66.1 Å²	66.1	15%	0.154	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-44.3	176.5	179.8	-174.6	-12.3	0	0	112.6	P303 T305 L817 V839 K840 K845 F846 L848	P303-Q843 VanDerWaalsContact CG-NE2 3.33Å; T305-Q843 PolarHBondContact OG1-NE2 3Å; T305-Q843 PolarHBondContact OG1-OE1 3.35Å; L817-Q843 HydrophobicContact CD1-CB 4.16Å; L817-Q843 HydrophobicContact CD1-CG 4.18Å; L817-Q843 HydrophobicContact CD2-CB 3.79Å; V839-Q843 WeakPolarHBondContact O-CB 3.37Å; V839-Q843 PolarHBondContact O-N 3.26Å; K840-Q843 WeakPolarHBondContact O-CB 3.49Å; K840-Q843 PolarHBondContact O-N 2.89Å; Q843-K845 PolarHBondContact O-N 2.87Å; Q843-F846 WeakPolarHBondContact O-CB 3.18Å; Q843-F846 PolarHBondContact O-N 3.05Å; Q843-L848 HydrophobicContact CG-CD1 4.11Å
844	D	91.9	Very high	88.8	Confident	88 Å²	88	65.4 Å²	65.4	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-30.6	179.1	-68.1	-17.4	0	0	0	111	K840 V842 R847	K840-D844 WeakPolarHBondContact O-CB 3.28Å; K840-D844 PolarHBondContact O-N 3.44Å; V842-D844 PolarHBondContact O-N 3.27Å; D844-R847 VanDerWaalsContact O-CD 3.23Å; D844-R847 WeakPolarHBondContact O-CD 3.44Å; D844-R847 PolarHBondContact O-N 2.85Å
845	K	93.3	Very high	89.7	Confident	64 Å²	64	62.6 Å²	62.6	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-72	-29.5	175.5	-65.2	-67.6	-179.6	-179.2	0	113.7	Y737 K841 V842 Q843 R847	Y737-K845 HydrophobicContact CD2-CD 4.32Å; Y737-K845 HydrophobicContact CE1-CB 4.26Å; Y737-K845 HydrophobicContact CE1-CD 4.32Å; Y737-K845 WeakPolarHBondContact CE1-O 3.03Å; Y737-K845 HydrophobicContact CE2-CD 3.72Å; Y737-K845 PolarHBondContact OH-O 3.36Å; K841-K845 WeakPolarHBondContact O-CG 3.44Å; K841-K845 PolarHBondContact O-N 2.89Å; V842-K845 WeakPolarHBondContact O-CB 3.43Å; V842-K845 PolarHBondContact O-N 3.36Å; V842-K845 VanDerWaalsContact O-N 3.17Å; Q843-K845 PolarHBondContact O-N 2.87Å; K845-R847 PolarHBondContact O-N 3.44Å
846	F	94.3	Very high	90.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-72.6	-15.1	174.9	-79.4	-70.5	0	0	0	113.7	I738 L809 R810 I816 V842 Q843 L848	I738-F846 HydrophobicContact CD1-CD1 4.45Å; I738-F846 HydrophobicContact CD1-CE1 3.87Å; I738-F846 HydrophobicContact CD1-CZ 4.36Å; I738-F846 HydrophobicContact CG1-CE1 4.36Å; I738-F846 HydrophobicContact CG2-CD2 4.32Å; I738-F846 HydrophobicContact CG2-CE1 3.96Å; I738-F846 HydrophobicContact CG2-CE2 3.66Å; I738-F846 HydrophobicContact CG2-CZ 3.45Å; I738-F846 VanDerWaalsContact CG2-CZ 3.45Å; L809-F846 HydrophobicContact CB-CE1 4.2Å; L809-F846 WeakPolarHBondContact O-CE1 3.25Å; R810-F846 HydrophobicContact CB-CD1 4.31Å; R810-F846 WeakPolarHBondContact CD-O 3.2Å; R810-F846 HydrophobicContact CG-CD1 4.48Å; R810-F846 PolarHBondContact NE-O 2.7Å; R810-F846 VanDerWaalsContact NE-O 3.1Å; I816-F846 HydrophobicContact CB-CZ 4.42Å; I816-F846 HydrophobicContact CD1-CE1 4.5Å; I816-F846 HydrophobicContact CD1-CZ 3.77Å; I816-F846 HydrophobicContact CG2-CE2 4.26Å; I816-F846 HydrophobicContact CG2-CZ 4.3Å; V842-F846 HydrophobicContact CG1-CD2 4.2Å; V842-F846 HydrophobicContact CG1-CE2 3.76Å; V842-F846 VanDerWaalsContact O-CD2 3.3Å; V842-F846 WeakPolarHBondContact O-CD2 3.3Å; V842-F846 PolarHBondContact O-N 2.83Å; Q843-F846 WeakPolarHBondContact O-CB 3.18Å; Q843-F846 PolarHBondContact O-N 3.05Å; F846-L848 VanDerWaalsContact C-N 3.32Å; F846-L848 HydrophobicContact CB-CD2 3.84Å; F846-L848 HydrophobicContact CB-CG 3.97Å; F846-L848 PolarHBondContact O-N 3.47Å
847	R	93	Very high	91.7	Very high	60 Å²	60	61 Å²	61	23%	0.226	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	53.3	-179.1	-65.7	-58.7	-56	-89.1	3.7	112.2	R810 D844 K845 D849 L850 Y858	R810-R847 PolarHBondContact NE-O 3.25Å; R810-R847 PolarHBondContact NH2-O 3.46Å; D844-R847 VanDerWaalsContact O-CD 3.23Å; D844-R847 WeakPolarHBondContact O-CD 3.44Å; D844-R847 PolarHBondContact O-N 2.85Å; K845-R847 PolarHBondContact O-N 3.44Å; R847-D849 WeakPolarHBondContact CA-OD1 3.43Å; R847-D849 IonicContact CZ-OD1 3.36Å; R847-D849 IonicContact CZ-OD2 2.84Å; R847-D849 IonicContact NE-OD1 3.62Å; R847-D849 PolarHBondContact NE-OD1 3.4Å; R847-D849 IonicContact NE-OD2 3.11Å; R847-D849 PolarHBondContact NE-OD2 3.07Å; R847-D849 IonicContact NH2-OD1 2.69Å; R847-D849 IonicContact NH2-OD2 3.26Å; R847-D849 PolarHBondContact NH2-OD2 2.77Å; R847-D849 PolarHBondContact O-N 3.41Å; R847-D849 VanDerWaalsContact O-N 3.14Å; R847-L850 HydrophobicContact CB-CD1 3.96Å; R847-L850 HydrophobicContact CB-CG 4.2Å; R847-L850 HydrophobicContact CG-CD1 4.41Å; R847-L850 PolarHBondContact O-N 3.38Å; R847-L850 VanDerWaalsContact O-N 3.16Å; R847-Y858 HydrophobicContact CG-CD1 4.04Å; R847-Y858 HydrophobicContact CG-CE1 3.81Å; R847-Y858 VanDerWaalsContact NH1-CD2 3.34Å
848	L	90.4	Very high	92.2	Very high	52 Å²	52	59 Å²	59	27%	0.272	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.6	-179.9	-59.2	-177.7	0	0	0	113.1	P303 R810 L817 Q843 F846 L850	P303-L848 HydrophobicContact CB-CD1 3.91Å; P303-L848 HydrophobicContact CG-CD1 4.41Å; R810-L848 HydrophobicContact CG-CD2 3.94Å; L817-L848 HydrophobicContact CD1-CD1 4.32Å; Q843-L848 HydrophobicContact CG-CD1 4.11Å; F846-L848 VanDerWaalsContact C-N 3.32Å; F846-L848 HydrophobicContact CB-CD2 3.84Å; F846-L848 HydrophobicContact CB-CG 3.97Å; F846-L848 PolarHBondContact O-N 3.47Å; L848-L850 VanDerWaalsContact C-N 3.34Å
849	D	89.6	Confident	92.7	Very high	108 Å²	108	58.8 Å²	58.8	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.7	173.1	57.6	-57.8	0	0	0	114	R847	R847-D849 WeakPolarHBondContact CA-OD1 3.43Å; R847-D849 IonicContact CZ-OD1 3.36Å; R847-D849 IonicContact CZ-OD2 2.84Å; R847-D849 IonicContact NE-OD1 3.62Å; R847-D849 PolarHBondContact NE-OD1 3.4Å; R847-D849 IonicContact NE-OD2 3.11Å; R847-D849 PolarHBondContact NE-OD2 3.07Å; R847-D849 IonicContact NH2-OD1 2.69Å; R847-D849 IonicContact NH2-OD2 3.26Å; R847-D849 PolarHBondContact NH2-OD2 2.77Å; R847-D849 PolarHBondContact O-N 3.41Å; R847-D849 VanDerWaalsContact O-N 3.14Å
850	L	93.1	Very high	93	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.188	30%	0.296	C	S	.	.	S	Bend	trans	-93.6	160.4	-175	-61.5	-175.7	0	0	0	113.2	R810 R847 L848 E854 A855 Y858	R810-L850 PolarHBondContact NH2-O 2.78Å; R847-L850 HydrophobicContact CB-CD1 3.96Å; R847-L850 HydrophobicContact CB-CG 4.2Å; R847-L850 HydrophobicContact CG-CD1 4.41Å; R847-L850 PolarHBondContact O-N 3.38Å; R847-L850 VanDerWaalsContact O-N 3.16Å; L848-L850 VanDerWaalsContact C-N 3.34Å; L850-E854 HydrophobicContact CB-CB 3.92Å; L850-E854 HydrophobicContact CD1-CB 4.42Å; L850-E854 HydrophobicContact CD2-CB 4.26Å; L850-E854 HydrophobicContact CG-CB 4.43Å; L850-A855 HydrophobicContact CB-CB 4.43Å; L850-Y858 HydrophobicContact CD1-CG 4.28Å
851	S	92.8	Very high	93.2	Very high	45 Å²	45	58.1 Å²	58.1	32%	0.315	29%	0.29	S	S	.	.			trans	-72	168.1	162.3	84.1	0	0	0	0	111.3	E853 E854 A855	S851-E853 PolarHBondContact O-N 3.12Å; S851-E853 PolarHBondContact OG-N 3.16Å; S851-E854 PolarHBondContact N-OE2 3.4Å; S851-E854 PolarHBondContact O-N 3.41Å; S851-E854 WeakPolarHBondContact OG-CG 3.5Å; S851-E854 PolarHBondContact OG-N 2.78Å; S851-E854 VanDerWaalsContact OG-N 3.14Å; S851-A855 WeakPolarHBondContact O-CB 3.29Å; S851-A855 PolarHBondContact O-N 3.37Å
852	D	93.6	Very high	93.3	Very high	68 Å²	68	55.7 Å²	55.7	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-35.3	174.7	-81.2	3.4	0	0	0	111.7	L807 R810 V856	L807-D852 HydrophobicContact CD2-CB 4.04Å; R810-D852 IonicContact NH1-OD1 3.41Å; R810-D852 PolarHBondContact NH1-OD1 2.83Å; D852-V856 WeakPolarHBondContact O-CG2 3.36Å; D852-V856 PolarHBondContact O-N 3.43Å; D852-V856 VanDerWaalsContact O-N 3.16Å
853	E	94.6	Very high	93.3	Very high	151 Å²	151	55.7 Å²	55.7	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-70.2	-46.2	178.4	-66.2	147.5	-179.4	0	0	111.5	S851 A855 V856 H857	S851-E853 PolarHBondContact O-N 3.12Å; S851-E853 PolarHBondContact OG-N 3.16Å; E853-A855 VanDerWaalsContact C-N 3.3Å; E853-A855 PolarHBondContact O-N 2.91Å; E853-V856 PolarHBondContact O-N 3.32Å; E853-H857 PolarHBondContact O-CD2 2.98Å; E853-H857 VanDerWaalsContact O-CD2 3.31Å; E853-H857 PolarHBondContact O-N 2.96Å; E853-H857 VanDerWaalsContact O-N 3.12Å
854	E	95.7	Very high	93.1	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-37.2	176.1	-69.7	172.8	155.6	0	0	111.6	L850 S851 H857 Y858	L850-E854 HydrophobicContact CB-CB 3.92Å; L850-E854 HydrophobicContact CD1-CB 4.42Å; L850-E854 HydrophobicContact CD2-CB 4.26Å; L850-E854 HydrophobicContact CG-CB 4.43Å; S851-E854 PolarHBondContact N-OE2 3.4Å; S851-E854 PolarHBondContact O-N 3.41Å; S851-E854 WeakPolarHBondContact OG-CG 3.5Å; S851-E854 PolarHBondContact OG-N 2.78Å; S851-E854 VanDerWaalsContact OG-N 3.14Å; E854-H857 PolarHBondContact O-N 3.48Å; E854-Y858 WeakPolarHBondContact O-CB 3.33Å; E854-Y858 PolarHBondContact O-N 3.39Å
855	A	95.2	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-38.6	176	0	0	0	0	0	112.3	F806 L807 L850 S851 E853 Y858 M859	F806-A855 HydrophobicContact CE1-CB 4.09Å; L807-A855 HydrophobicContact CD2-CB 4.32Å; L850-A855 HydrophobicContact CB-CB 4.43Å; S851-A855 WeakPolarHBondContact O-CB 3.29Å; S851-A855 PolarHBondContact O-N 3.37Å; E853-A855 VanDerWaalsContact C-N 3.3Å; E853-A855 PolarHBondContact O-N 2.91Å; A855-Y858 PolarHBondContact O-N 2.93Å; A855-M859 WeakPolarHBondContact O-CG 3.38Å; A855-M859 PolarHBondContact O-N 3.17Å
856	V	95.6	Very high	92.4	Very high	38 Å²	38	54.8 Å²	54.8	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-46.5	173.7	171.8	0	0	0	0	110.9	Y803 L807 D852 E853 Y858 M859 Q860	Y803-V856 HydrophobicContact CD2-CG1 4.2Å; Y803-V856 HydrophobicContact CG-CG1 4.15Å; L807-V856 HydrophobicContact CD1-CG2 3.66Å; L807-V856 HydrophobicContact CD2-CG2 4.18Å; L807-V856 HydrophobicContact CG-CG2 4.05Å; D852-V856 WeakPolarHBondContact O-CG2 3.36Å; D852-V856 PolarHBondContact O-N 3.43Å; D852-V856 VanDerWaalsContact O-N 3.16Å; E853-V856 PolarHBondContact O-N 3.32Å; V856-Y858 VanDerWaalsContact C-N 3.29Å; V856-Y858 PolarHBondContact O-N 3.42Å; V856-M859 PolarHBondContact O-N 2.98Å; V856-Q860 WeakPolarHBondContact O-CB 3.45Å; V856-Q860 PolarHBondContact O-N 3.34Å
857	H	95.1	Very high	91.8	Very high	125 Å²	125	55.1 Å²	55.1	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-59.9	-41	176.1	-79.7	-61.3	0	0	0	112.1	E853 E854 Q860 S861	E853-H857 PolarHBondContact O-CD2 2.98Å; E853-H857 VanDerWaalsContact O-CD2 3.31Å; E853-H857 PolarHBondContact O-N 2.96Å; E853-H857 VanDerWaalsContact O-N 3.12Å; E854-H857 PolarHBondContact O-N 3.48Å; H857-Q860 WeakPolarHBondContact O-CB 3.09Å; H857-Q860 PolarHBondContact O-N 3.42Å; H857-S861 PolarHBondContact O-N 3.31Å; H857-S861 PolarHBondContact O-OG 3.04Å
858	Y	95	Very high	91	Very high	65 Å²	65	58.5 Å²	58.5	26%	0.255	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-48.9	174.3	173.5	-99.7	0	0	0	112	Y737 R847 L850 E854 A855 V856 Q860 S861 L862	Y737-Y858 WeakPolarHBondContact OH-CE1 3.49Å; Y737-Y858 PolarHBondContact OH-OH 3.33Å; Y737-Y858 VanDerWaalsContact OH-OH 3.1Å; R847-Y858 HydrophobicContact CG-CD1 4.04Å; R847-Y858 HydrophobicContact CG-CE1 3.81Å; R847-Y858 VanDerWaalsContact NH1-CD2 3.34Å; L850-Y858 HydrophobicContact CD1-CG 4.28Å; E854-Y858 WeakPolarHBondContact O-CB 3.33Å; E854-Y858 PolarHBondContact O-N 3.39Å; A855-Y858 PolarHBondContact O-N 2.93Å; V856-Y858 VanDerWaalsContact C-N 3.29Å; V856-Y858 PolarHBondContact O-N 3.42Å; Y858-Q860 VanDerWaalsContact C-N 3.29Å; Y858-Q860 PolarHBondContact O-N 3.43Å; Y858-S861 PolarHBondContact O-N 2.96Å; Y858-L862 WeakPolarHBondContact O-CB 3.38Å; Y858-L862 PolarHBondContact O-N 3.41Å
859	M	94.4	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-36.2	176.8	-74.9	-58.4	-64.1	0	0	112.2	V734 Y737 Y803 F806 A855 V856 L862 I863	V734-M859 HydrophobicContact CG2-CE 4.47Å; Y737-M859 HydrophobicContact CD1-CE 4.5Å; Y737-M859 HydrophobicContact CD1-SD 4.33Å; Y737-M859 HydrophobicContact CE1-SD 4.08Å; Y803-M859 HydrophobicContact CD1-CB 3.95Å; Y803-M859 HydrophobicContact CE1-CB 4.25Å; F806-M859 HydrophobicContact CB-CE 4.42Å; F806-M859 HydrophobicContact CB-CG 4.16Å; F806-M859 HydrophobicContact CD1-CG 3.34Å; F806-M859 HydrophobicContact CD1-SD 4.04Å; F806-M859 HydrophobicContact CD2-CE 4.36Å; F806-M859 HydrophobicContact CD2-CG 4.26Å; F806-M859 HydrophobicContact CD2-SD 3.89Å; F806-M859 HydrophobicContact CE1-CG 3.68Å; F806-M859 HydrophobicContact CE1-SD 4.13Å; F806-M859 HydrophobicContact CE2-SD 4.02Å; F806-M859 HydrophobicContact CG-CE 4.33Å; F806-M859 HydrophobicContact CG-CG 3.66Å; F806-M859 HydrophobicContact CG-SD 3.9Å; F806-M859 HydrophobicContact CZ-CG 4.3Å; F806-M859 HydrophobicContact CZ-SD 4.13Å; A855-M859 WeakPolarHBondContact O-CG 3.38Å; A855-M859 PolarHBondContact O-N 3.17Å; V856-M859 PolarHBondContact O-N 2.98Å; M859-L862 HydrophobicContact CE-CD2 4.13Å; M859-L862 WeakPolarHBondContact O-CB 3.19Å; M859-L862 PolarHBondContact O-N 2.92Å; M859-L862 HydrophobicContact SD-CD2 3.96Å; M859-I863 VanDerWaalsContact O-CG1 3.3Å; M859-I863 WeakPolarHBondContact O-CG1 3.35Å; M859-I863 PolarHBondContact O-N 3.46Å
860	Q	93.2	Very high	88.9	Confident	66 Å²	66	54.9 Å²	54.9	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-51.5	175.1	-176.3	176.7	-17.5	0	0	111.3	Y803 V856 H857 Y858 L862 I863 D864	Y803-Q860 HydrophobicContact CE1-CB 4.21Å; V856-Q860 WeakPolarHBondContact O-CB 3.45Å; V856-Q860 PolarHBondContact O-N 3.34Å; H857-Q860 WeakPolarHBondContact O-CB 3.09Å; H857-Q860 PolarHBondContact O-N 3.42Å; Y858-Q860 VanDerWaalsContact C-N 3.29Å; Y858-Q860 PolarHBondContact O-N 3.43Å; Q860-L862 VanDerWaalsContact C-N 3.29Å; Q860-L862 PolarHBondContact O-N 3.18Å; Q860-I863 PolarHBondContact O-N 3.37Å; Q860-D864 VanDerWaalsContact O-CG 3.26Å; Q860-D864 PolarHBondContact O-N 3.39Å
861	S	92.4	Very high	87.5	Confident	60 Å²	60	57.6 Å²	57.6	42%	0.42	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-41.1	176.1	-64.3	0	0	0	0	111.8	H857 Y858 I863 D864 E865	H857-S861 PolarHBondContact O-N 3.31Å; H857-S861 PolarHBondContact O-OG 3.04Å; Y858-S861 PolarHBondContact O-N 2.96Å; S861-I863 PolarHBondContact O-N 2.86Å; S861-D864 PolarHBondContact O-N 3.49Å; S861-E865 WeakPolarHBondContact O-CB 3.26Å; S861-E865 VanDerWaalsContact O-CG 3.32Å; S861-E865 WeakPolarHBondContact O-CG 3.42Å; S861-E865 PolarHBondContact O-N 3.22Å
862	L	92.4	Very high	85.9	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-44.5	178.4	-168.1	84.2	0	0	0	112.7	Y737 P776 M777 Y858 M859 Q860 S866	Y737-L862 HydrophobicContact CD1-CD2 4.45Å; Y737-L862 HydrophobicContact CD2-CD2 3.62Å; Y737-L862 HydrophobicContact CE1-CD2 4.4Å; Y737-L862 HydrophobicContact CE2-CD1 4.11Å; Y737-L862 HydrophobicContact CE2-CD2 3.54Å; Y737-L862 HydrophobicContact CE2-CG 4.48Å; Y737-L862 HydrophobicContact CG-CD2 4.1Å; P776-L862 HydrophobicContact CB-CD1 3.7Å; P776-L862 HydrophobicContact CG-CD1 4.09Å; M777-L862 HydrophobicContact CB-CD2 4.06Å; M777-L862 HydrophobicContact CB-CG 4.27Å; M777-L862 HydrophobicContact SD-CD2 4.44Å; Y858-L862 WeakPolarHBondContact O-CB 3.38Å; Y858-L862 PolarHBondContact O-N 3.41Å; M859-L862 HydrophobicContact CE-CD2 4.13Å; M859-L862 WeakPolarHBondContact O-CB 3.19Å; M859-L862 PolarHBondContact O-N 2.92Å; M859-L862 HydrophobicContact SD-CD2 3.96Å; Q860-L862 VanDerWaalsContact C-N 3.29Å; Q860-L862 PolarHBondContact O-N 3.18Å; L862-S866 WeakPolarHBondContact O-CB 3.45Å; L862-S866 PolarHBondContact O-N 3.16Å; L862-S866 PolarHBondContact O-OG 3.15Å
863	I	91.2	Very high	84.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.5	-47.4	177.1	-65.9	175.5	0	0	0	109.6	M777 L779 Y795 F798 R799 C802 Y803 M859 Q860 S861 S866 V867	M777-I863 HydrophobicContact CE-CD1 4.34Å; M777-I863 HydrophobicContact CE-CG1 3.68Å; M777-I863 HydrophobicContact SD-CG1 3.85Å; L779-I863 HydrophobicContact CD2-CG2 4.4Å; Y795-I863 WeakPolarHBondContact OH-CG2 3.45Å; F798-I863 HydrophobicContact CE1-CG2 4.47Å; R799-I863 HydrophobicContact CG-CD1 4.46Å; R799-I863 HydrophobicContact CG-CG2 4.49Å; C802-I863 HydrophobicContact CB-CD1 3.95Å; Y803-I863 HydrophobicContact CE1-CD1 3.72Å; M859-I863 VanDerWaalsContact O-CG1 3.3Å; M859-I863 WeakPolarHBondContact O-CG1 3.35Å; M859-I863 PolarHBondContact O-N 3.46Å; Q860-I863 PolarHBondContact O-N 3.37Å; S861-I863 PolarHBondContact O-N 2.86Å; I863-S866 PolarHBondContact O-N 3.3Å; I863-V867 WeakPolarHBondContact O-CG2 3.33Å; I863-V867 PolarHBondContact O-N 2.85Å
864	D	88.3	Confident	82.5	Confident	48 Å²	48	52.8 Å²	52.8	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-45.9	-177.2	-66.1	-14.5	0	0	0	110.6	R799 Q860 S861 S866 V867 H868	R799-D864 IonicContact CZ-OD1 2.76Å; R799-D864 IonicContact NE-OD1 2.67Å; R799-D864 VanDerWaalsContact NH2-CG 3.3Å; R799-D864 IonicContact NH2-OD1 3.26Å; R799-D864 PolarHBondContact NH2-OD1 3.39Å; R799-D864 IonicContact NH2-OD2 3.93Å; R799-D864 PolarHBondContact NH2-OD2 2.85Å; Q860-D864 VanDerWaalsContact O-CG 3.26Å; Q860-D864 PolarHBondContact O-N 3.39Å; S861-D864 PolarHBondContact O-N 3.49Å; D864-S866 PolarHBondContact O-N 3.23Å; D864-V867 PolarHBondContact O-N 2.81Å; D864-H868 PolarHBondContact O-N 2.94Å; D864-H868 PolarHBondContact O-ND1 3.4Å
865	E	86.3	Confident	80.5	Confident	119 Å²	119	52.5 Å²	52.5	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-58.9	-44.2	174.3	-76.6	176.5	-169.3	0	0	112.3	S861 V867 H868 A869	S861-E865 WeakPolarHBondContact O-CB 3.26Å; S861-E865 VanDerWaalsContact O-CG 3.32Å; S861-E865 WeakPolarHBondContact O-CG 3.42Å; S861-E865 PolarHBondContact O-N 3.22Å; E865-V867 VanDerWaalsContact C-N 3.31Å; E865-V867 PolarHBondContact O-N 3Å; E865-H868 PolarHBondContact O-N 3.29Å; E865-A869 VanDerWaalsContact O-CB 3.29Å; E865-A869 WeakPolarHBondContact O-CB 3.42Å; E865-A869 PolarHBondContact O-N 2.85Å
866	S	84.6	Confident	78.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-42.1	178.9	-60	0	0	0	0	110.9	M777 L862 I863 D864 L870	M777-S866 WeakPolarHBondContact CB-OG 3.45Å; M777-S866 PolarHBondContact N-OG 3.5Å; M777-S866 VanDerWaalsContact N-OG 3.17Å; L862-S866 WeakPolarHBondContact O-CB 3.45Å; L862-S866 PolarHBondContact O-N 3.16Å; L862-S866 PolarHBondContact O-OG 3.15Å; I863-S866 PolarHBondContact O-N 3.3Å; D864-S866 PolarHBondContact O-N 3.23Å; S866-L870 WeakPolarHBondContact O-CD1 3.45Å; S866-L870 WeakPolarHBondContact O-CG 3.31Å; S866-L870 PolarHBondContact O-N 3.07Å
867	V	81.5	Confident	76.7	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-68.9	-43.1	177.7	173.1	0	0	0	0	112.1	L779 V784 T790 Y795 I863 D864 E865 L870 F871	L779-V867 HydrophobicContact CD2-CG2 3.66Å; V784-V867 HydrophobicContact CG2-CG2 4.42Å; T790-V867 HydrophobicContact CG2-CG1 3.91Å; Y795-V867 WeakPolarHBondContact OH-CG2 3.26Å; I863-V867 WeakPolarHBondContact O-CG2 3.33Å; I863-V867 PolarHBondContact O-N 2.85Å; D864-V867 PolarHBondContact O-N 2.81Å; E865-V867 VanDerWaalsContact C-N 3.31Å; E865-V867 PolarHBondContact O-N 3Å; V867-L870 WeakPolarHBondContact O-CB 3.38Å; V867-L870 PolarHBondContact O-N 3.15Å; V867-F871 HydrophobicContact CG1-CD2 3.84Å; V867-F871 HydrophobicContact CG1-CE2 3.42Å; V867-F871 VanDerWaalsContact CG1-CE2 3.42Å; V867-F871 WeakPolarHBondContact O-CD2 3.32Å; V867-F871 PolarHBondContact O-N 3.3Å
868	H	76.7	Confident	74.7	Confident	131 Å²	131	62 Å²	62	61%	0.606	34%	0.336	S	S	*	.	H	α-helix	trans	-65	-41	177.8	-74.4	86.9	0	0	0	112.4	D864 E865 L870 F871 A872	D864-H868 PolarHBondContact O-N 2.94Å; D864-H868 PolarHBondContact O-ND1 3.4Å; E865-H868 PolarHBondContact O-N 3.29Å; H868-L870 VanDerWaalsContact C-N 3.27Å; H868-L870 PolarHBondContact O-N 3.11Å; H868-F871 PolarHBondContact O-N 3.45Å; H868-A872 PolarHBondContact O-N 3.13Å
869	A	70.4	Confident	72.6	Confident	52 Å²	52	64.1 Å²	64.1	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-37.6	177	0	0	0	0	0	112.1	E865 A872 A873	E865-A869 VanDerWaalsContact O-CB 3.29Å; E865-A869 WeakPolarHBondContact O-CB 3.42Å; E865-A869 PolarHBondContact O-N 2.85Å; A869-A872 PolarHBondContact O-N 3.29Å; A869-A873 WeakPolarHBondContact O-CB 3.48Å; A869-A873 PolarHBondContact O-N 3.41Å
870	L	64.5	Low	70.6	Confident	32 Å²	32	69.8 Å²	69.8	17%	0.168	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-46.7	174.4	-64.5	160.1	0	0	0	111.5	L779 S866 V867 H868 A873 V874	L779-L870 WeakPolarHBondContact O-CD1 3.42Å; S866-L870 WeakPolarHBondContact O-CD1 3.45Å; S866-L870 WeakPolarHBondContact O-CG 3.31Å; S866-L870 PolarHBondContact O-N 3.07Å; V867-L870 WeakPolarHBondContact O-CB 3.38Å; V867-L870 PolarHBondContact O-N 3.15Å; H868-L870 VanDerWaalsContact C-N 3.27Å; H868-L870 PolarHBondContact O-N 3.11Å; L870-A873 PolarHBondContact O-N 3.01Å; L870-V874 WeakPolarHBondContact O-CG2 3.5Å; L870-V874 PolarHBondContact O-N 2.93Å; L870-V874 VanDerWaalsContact O-N 3.1Å
871	F	63.3	Low	68.8	Low	92 Å²	92	73 Å²	73	40%	0.404	39%	0.386	S	S	.	.	H	α-helix	trans	-66.3	-38.8	179.8	-72.7	-63.6	0	0	0	112.1	T790 V867 H868 V874 V875	T790-F871 HydrophobicContact CG2-CE2 4.43Å; V867-F871 HydrophobicContact CG1-CD2 3.84Å; V867-F871 HydrophobicContact CG1-CE2 3.42Å; V867-F871 VanDerWaalsContact CG1-CE2 3.42Å; V867-F871 WeakPolarHBondContact O-CD2 3.32Å; V867-F871 PolarHBondContact O-N 3.3Å; H868-F871 PolarHBondContact O-N 3.45Å; F871-V874 PolarHBondContact O-N 2.88Å; F871-V875 VanDerWaalsContact O-CG2 3.29Å; F871-V875 WeakPolarHBondContact O-CG2 3.33Å; F871-V875 PolarHBondContact O-N 3.17Å
872	A	58.7	Low	66.7	Low	60 Å²	60	72.3 Å²	72.3	50%	0.496	38%	0.384	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175	0	0	0	0	0	112.1	H868 A869 V874 V875 E876	H868-A872 PolarHBondContact O-N 3.13Å; A869-A872 PolarHBondContact O-N 3.29Å; A872-V874 VanDerWaalsContact C-N 3.35Å; A872-V874 PolarHBondContact O-N 3.37Å; A872-V875 PolarHBondContact O-N 3.17Å; A872-E876 WeakPolarHBondContact O-CB 3.31Å; A872-E876 PolarHBondContact O-N 3.34Å
873	A	60.8	Low	64.8	Low	54 Å²	54	77 Å²	77	45%	0.446	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-37.6	177.8	0	0	0	0	0	112.8	A869 L870 E876 Q877	A869-A873 WeakPolarHBondContact O-CB 3.48Å; A869-A873 PolarHBondContact O-N 3.41Å; L870-A873 PolarHBondContact O-N 3.01Å; A873-E876 PolarHBondContact O-N 2.99Å; A873-Q877 PolarHBondContact O-N 3.26Å
874	V	56.8	Low	63.1	Low	50 Å²	50	85.6 Å²	85.6	30%	0.303	44%	0.439	S	S	.	.	H	α-helix	trans	-67.6	-43.6	174.7	171.6	0	0	0	0	111	K781 L870 F871 A872 E876 Q877 I878	K781-V874 HydrophobicContact CD-CG2 4.41Å; L870-V874 WeakPolarHBondContact O-CG2 3.5Å; L870-V874 PolarHBondContact O-N 2.93Å; L870-V874 VanDerWaalsContact O-N 3.1Å; F871-V874 PolarHBondContact O-N 2.88Å; A872-V874 VanDerWaalsContact C-N 3.35Å; A872-V874 PolarHBondContact O-N 3.37Å; V874-E876 VanDerWaalsContact C-N 3.3Å; V874-E876 PolarHBondContact O-N 3.31Å; V874-Q877 PolarHBondContact O-N 3.49Å; V874-I878 HydrophobicContact CG1-CD1 3.73Å; V874-I878 HydrophobicContact CG1-CG1 4.39Å; V874-I878 WeakPolarHBondContact O-CB 3.19Å; V874-I878 VanDerWaalsContact O-CG1 3.25Å; V874-I878 WeakPolarHBondContact O-CG1 3.31Å; V874-I878 PolarHBondContact O-N 3.38Å
875	V	53.8	Low	61.4	Low	98 Å²	98	92.2 Å²	92.2	59%	0.594	46%	0.461	S	S	*	.	H	α-helix	trans	-61.9	-39.6	175.5	171.4	0	0	0	0	110.9	F871 A872 I878 H879	F871-V875 VanDerWaalsContact O-CG2 3.29Å; F871-V875 WeakPolarHBondContact O-CG2 3.33Å; F871-V875 PolarHBondContact O-N 3.17Å; A872-V875 PolarHBondContact O-N 3.17Å; V875-I878 PolarHBondContact O-N 3.41Å; V875-H879 VanDerWaalsContact O-CB 3.25Å; V875-H879 WeakPolarHBondContact O-CB 3.34Å; V875-H879 PolarHBondContact O-N 3.32Å
876	E	55.2	Low	59.4	Low	108 Å²	108	97.1 Å²	97.1	51%	0.505	47%	0.474	S	S	.	.	H	α-helix	trans	-69.2	-37.9	177.5	-158.5	-172.3	148.6	0	0	112.4	A872 A873 V874 H879 K880	A872-E876 WeakPolarHBondContact O-CB 3.31Å; A872-E876 PolarHBondContact O-N 3.34Å; A873-E876 PolarHBondContact O-N 2.99Å; V874-E876 VanDerWaalsContact C-N 3.3Å; V874-E876 PolarHBondContact O-N 3.31Å; E876-H879 PolarHBondContact O-N 2.87Å; E876-K880 WeakPolarHBondContact O-CB 3.42Å; E876-K880 WeakPolarHBondContact O-CG 3.48Å; E876-K880 PolarHBondContact O-N 3.29Å; E876-K880 IonicContact OE1-NZ 2.88Å; E876-K880 PolarHBondContact OE1-NZ 3.22Å
877	Q	55.5	Low	57.2	Low	147 Å²	147	108.7 Å²	108.7	69%	0.687	52%	0.524	S	S	*	.	H	α-helix	trans	-67	-42.7	172.5	-81.5	-160.2	-15.1	0	0	112.5	A873 V874 H879 K880 F881	A873-Q877 PolarHBondContact O-N 3.26Å; V874-Q877 PolarHBondContact O-N 3.49Å; Q877-H879 VanDerWaalsContact C-N 3.27Å; Q877-H879 PolarHBondContact O-N 3Å; Q877-K880 PolarHBondContact O-N 3.28Å; Q877-F881 VanDerWaalsContact O-CB 3.31Å; Q877-F881 WeakPolarHBondContact O-CB 3.3Å; Q877-F881 PolarHBondContact O-N 3.48Å
878	I	54.5	Low	56	Low	108 Å²	108	113.8 Å²	113.8	55%	0.554	55%	0.548	S	S	*	.	H	α-helix	trans	-62.3	-38.8	173.6	-68.8	168.5	0	0	0	109.9	V874 V875 F881 A882	V874-I878 HydrophobicContact CG1-CD1 3.73Å; V874-I878 HydrophobicContact CG1-CG1 4.39Å; V874-I878 WeakPolarHBondContact O-CB 3.19Å; V874-I878 VanDerWaalsContact O-CG1 3.25Å; V874-I878 WeakPolarHBondContact O-CG1 3.31Å; V874-I878 PolarHBondContact O-N 3.38Å; V875-I878 PolarHBondContact O-N 3.41Å; I878-F881 PolarHBondContact O-N 3.33Å; I878-A882 WeakPolarHBondContact O-CB 3.17Å; I878-A882 PolarHBondContact O-N 2.98Å
879	H	49.7	Very low	54.9	Low	109 Å²	109	112.8 Å²	112.8	51%	0.505	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-42	177.1	-158.3	65.3	0	0	0	112	V875 E876 Q877 A882 Q883	V875-H879 VanDerWaalsContact O-CB 3.25Å; V875-H879 WeakPolarHBondContact O-CB 3.34Å; V875-H879 PolarHBondContact O-N 3.32Å; E876-H879 PolarHBondContact O-N 2.87Å; Q877-H879 VanDerWaalsContact C-N 3.27Å; Q877-H879 PolarHBondContact O-N 3Å; H879-A882 PolarHBondContact O-N 3.34Å; H879-Q883 PolarHBondContact CD2-NE2 3.17Å; H879-Q883 VanDerWaalsContact CD2-NE2 3.26Å; H879-Q883 PolarHBondContact NE2-NE2 3.49Å; H879-Q883 VanDerWaalsContact NE2-NE2 3.11Å; H879-Q883 WeakPolarHBondContact O-CB 3.46Å; H879-Q883 VanDerWaalsContact O-CG 3.25Å; H879-Q883 WeakPolarHBondContact O-CG 3.42Å; H879-Q883 PolarHBondContact O-N 2.65Å
880	K	52.2	Low	54	Low	119 Å²	119	116.2 Å²	116.2	52%	0.517	55%	0.552	S	S	.	*	H	α-helix	trans	-63.1	-40.4	172.5	-80.2	173.3	-178.5	151.9	0	112.1	E876 Q877 Q883 Y884	E876-K880 WeakPolarHBondContact O-CB 3.42Å; E876-K880 WeakPolarHBondContact O-CG 3.48Å; E876-K880 PolarHBondContact O-N 3.29Å; E876-K880 IonicContact OE1-NZ 2.88Å; E876-K880 PolarHBondContact OE1-NZ 3.22Å; Q877-K880 PolarHBondContact O-N 3.28Å; K880-Q883 PolarHBondContact O-N 2.81Å; K880-Y884 WeakPolarHBondContact O-CB 3.43Å; K880-Y884 PolarHBondContact O-N 2.86Å
881	F	56.1	Low	53.4	Low	133 Å²	133	121.2 Å²	121.2	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-67.9	-45	176.2	-158.5	-100.2	0	0	0	111	Q877 I878 Q883 Y884 W885	Q877-F881 VanDerWaalsContact O-CB 3.31Å; Q877-F881 WeakPolarHBondContact O-CB 3.3Å; Q877-F881 PolarHBondContact O-N 3.48Å; I878-F881 PolarHBondContact O-N 3.33Å; F881-Q883 VanDerWaalsContact C-N 3.29Å; F881-Q883 PolarHBondContact O-N 2.84Å; F881-Y884 WeakPolarHBondContact O-CB 3.19Å; F881-Y884 PolarHBondContact O-N 3.32Å; F881-Y884 VanDerWaalsContact O-N 3.08Å; F881-W885 AromaticContact CD1-CD1 3.59Å; F881-W885 AromaticContact CD1-NE1 3.63Å; F881-W885 AromaticContact CE1-CD1 3.5Å; F881-W885 AromaticContact CE1-CE2 3.99Å; F881-W885 AromaticContact CE1-NE1 3.02Å; F881-W885 AromaticContact CE2-NE1 3.92Å; F881-W885 AromaticContact CZ-CD1 3.99Å; F881-W885 AromaticContact CZ-NE1 3.19Å; F881-W885 VanDerWaalsContact O-CD1 3.25Å; F881-W885 PolarHBondContact O-N 3.36Å
882	A	49.1	Very low	52.8	Low	45 Å²	45	123 Å²	123	37%	0.372	59%	0.585	S	S	.	*	H	α-helix	trans	-63.3	-32.4	174.6	0	0	0	0	0	112.9	I878 H879 R886	I878-A882 WeakPolarHBondContact O-CB 3.17Å; I878-A882 PolarHBondContact O-N 2.98Å; H879-A882 PolarHBondContact O-N 3.34Å; A882-R886 WeakPolarHBondContact O-CB 3.43Å; A882-R886 WeakPolarHBondContact O-CG 3.33Å; A882-R886 PolarHBondContact O-N 3.26Å
883	Q	51.2	Low	52.4	Low	106 Å²	106	127.2 Å²	127.2	50%	0.495	59%	0.591	S	S	.	*	H	α-helix	trans	-72.3	-34.2	171.4	-76.1	-179.6	2.7	0	0	112.5	H879 K880 F881 R886	H879-Q883 PolarHBondContact CD2-NE2 3.17Å; H879-Q883 VanDerWaalsContact CD2-NE2 3.26Å; H879-Q883 PolarHBondContact NE2-NE2 3.49Å; H879-Q883 VanDerWaalsContact NE2-NE2 3.11Å; H879-Q883 WeakPolarHBondContact O-CB 3.46Å; H879-Q883 VanDerWaalsContact O-CG 3.25Å; H879-Q883 WeakPolarHBondContact O-CG 3.42Å; H879-Q883 PolarHBondContact O-N 2.65Å; K880-Q883 PolarHBondContact O-N 2.81Å; F881-Q883 VanDerWaalsContact C-N 3.29Å; F881-Q883 PolarHBondContact O-N 2.84Å; Q883-R886 PolarHBondContact O-N 3.47Å
884	Y	57	Low	51.8	Low	180 Å²	180	132.4 Å²	132.4	71%	0.706	60%	0.601	S	S	*	*	H	α-helix	trans	-68.1	-36.5	175.6	-171.7	-94.9	0	0	0	112.4	K880 F881 R886	K880-Y884 WeakPolarHBondContact O-CB 3.43Å; K880-Y884 PolarHBondContact O-N 2.86Å; F881-Y884 WeakPolarHBondContact O-CB 3.19Å; F881-Y884 PolarHBondContact O-N 3.32Å; F881-Y884 VanDerWaalsContact O-N 3.08Å; Y884-R886 VanDerWaalsContact C-N 3.34Å
885	W	50.9	Low	51.4	Low	187 Å²	187	138.8 Å²	138.8	71%	0.708	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8	175	-77.2	82.1	0	0	0	114.3	F881	F881-W885 AromaticContact CD1-CD1 3.59Å; F881-W885 AromaticContact CD1-NE1 3.63Å; F881-W885 AromaticContact CE1-CD1 3.5Å; F881-W885 AromaticContact CE1-CE2 3.99Å; F881-W885 AromaticContact CE1-NE1 3.02Å; F881-W885 AromaticContact CE2-NE1 3.92Å; F881-W885 AromaticContact CZ-CD1 3.99Å; F881-W885 AromaticContact CZ-NE1 3.19Å; F881-W885 VanDerWaalsContact O-CD1 3.25Å; F881-W885 PolarHBondContact O-N 3.36Å
886	R	44.6	Very low	51.2	Low	222 Å²	222	142.2 Å²	142.2	84%	0.838	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-2.6	171.2	-87	-178.2	177.6	179.9	0.5	113.3	A882 Q883 Y884	A882-R886 WeakPolarHBondContact O-CB 3.43Å; A882-R886 WeakPolarHBondContact O-CG 3.33Å; A882-R886 PolarHBondContact O-N 3.26Å; Q883-R886 PolarHBondContact O-N 3.47Å; Y884-R886 VanDerWaalsContact C-N 3.34Å
887	K	38.4	Very low	50.8	Low	242 Å²	242	145.3 Å²	145.3	100%	1.052	64%	0.638	S	S	*	*			trans	-103.5	0	162.5	-77.9	-174.4	175.4	-178.8	0	108.7

Retrieved 887 of 887 residues in 306.7 ms (Link to these results)

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