A0A5K4ES56_SCHMA Loading...

MUTSd domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ES56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 811 aa.

						>A0A5K4ES56_SCHMA|A0A5K4ES56
MIMNKLIDHMFCISRCKKQWDKQTRHLFPMSSCEPQLYLSVCIAQEKIGLVLWNPYTHILQYMPDSPFSLEDKWLKQSLFSNDRLVILITEPSLKFISSIVGTDKFHISSGIQTEIIPQSYYSEQFLMDSHQVMSISFMPNTLGDFGRKTFIKSLFPANSKLVLRALSGLLYRLTRNADDLHLTLNQNILDIVDVQLLQRQHMLFVDKSAMKYLQIIDFHETYKVSKGILPSEANISPTLFKILNHCLTTQGTAELRKWMGSPISSEEIITRRLDAVEFFLGGKGTQLLSEIRTVLKRVGNTQKIILRMQTSSAIPSDWRIIIHTLDAMEALITMCKPYCEKLYPVQELFLAKFDPAIIGSVKSWLIHVIDTEKTEKEQRFVVRRGVDTTLDKWNETYACLPDLLSQLAEDELGKLRENIRTCGLIYFPLVGYLLKIPKVEVETPDIQLSGLEFAFTDNEMAYYRNETTRILDQRYGDVMYAIVDAETTIMHHLQDRLLIYTQSILQASQFAAEIDCLCAFAMAAKHMEWTRPKIVDENCIHIYKGWYPIQQTVSTNIIKNSFYSDGSKHKITLLTGPNGSGKSIYMKTIALITYLTHIGSYIPAEGAKISTFDAIHILTGTDSTERDNCSTYMMALQMASVALRNLTSKTLIIMDEFAKSVNKLELDALTIAMAEFLLLKNECPYTIIATHNHKILRQLQMYGPQVQYLTMRTVPHEGRVVCLYEAVNGLNLRSEAISTANAIGLPEKITERALSLKDFLSTIPTSRMKNRNKRVKTVLKLLHGTDTGSGGITLDKIFNSNFHELLESLD
					

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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	38.6	Very low	40.8	Very low	209 Å²	209	137.6 Å²	137.6	100%	1.03	68%	0.675	S	S	*	*				0	-39.2	0	-141.4	170.1	161.1	0	0	113.4
2	I	39.8	Very low	40.7	Very low	140 Å²	140	131.8 Å²	131.8	72%	0.718	66%	0.657	S	S	*	*	H	α-helix	trans	-78.3	-30.2	169.9	-65.2	170.5	0	0	0	112.1	N4 K5 L6	I2-N4 PolarHBondContact O-N 2.95Å; I2-K5 PolarHBondContact O-N 3.34Å; I2-L6 HydrophobicContact CG2-CD1 4.39Å; I2-L6 PolarHBondContact O-N 3.31Å
3	M	31.9	Very low	40.8	Very low	152 Å²	152	132.8 Å²	132.8	75%	0.749	66%	0.664	S	S	*	*	H	α-helix	trans	-65.4	-33.6	175.2	-116.2	-178.1	-110	0	0	114.1	L6 I7	M3-L6 PolarHBondContact O-N 3.02Å; M3-I7 PolarHBondContact O-N 2.95Å
4	N	44.3	Very low	40.8	Very low	113 Å²	113	128 Å²	128	60%	0.604	65%	0.649	S	S	*	*	H	α-helix	trans	-74	-26.6	177.1	-74.1	0.4	0	0	0	112.5	I2 D8	I2-N4 PolarHBondContact O-N 2.95Å; N4-D8 PolarHBondContact O-N 3.39Å
5	K	43.3	Very low	40.8	Very low	164 Å²	164	131.1 Å²	131.1	71%	0.713	65%	0.65	S	S	*	*	H	α-helix	trans	-77.5	-18.4	174.6	-79.3	-171.9	173.6	-174.7	0	114	I2	I2-K5 PolarHBondContact O-N 3.34Å
6	L	38.8	Very low	41	Very low	114 Å²	114	127.6 Å²	127.6	60%	0.597	64%	0.641	S	S	*	*	H	α-helix	trans	-85.1	-28.8	175.4	-92.3	150.1	0	0	0	112.6	I2 M3 M10	I2-L6 HydrophobicContact CG2-CD1 4.39Å; I2-L6 PolarHBondContact O-N 3.31Å; M3-L6 PolarHBondContact O-N 3.02Å; L6-M10 PolarHBondContact O-N 3.29Å
7	I	45.5	Very low	40.9	Very low	92 Å²	92	130 Å²	130	47%	0.472	65%	0.646	S	S	.	*	H	α-helix	trans	-73	-34.4	174.3	-64.8	170	0	0	0	110.9	M3 H9 M10 F11	M3-I7 PolarHBondContact O-N 2.95Å; I7-H9 VanDerWaalsContact C-N 3.34Å; I7-H9 PolarHBondContact O-N 2.92Å; I7-M10 PolarHBondContact O-N 3.41Å; I7-F11 HydrophobicContact CG2-CD2 4.2Å; I7-F11 HydrophobicContact CG2-CE2 4.43Å; I7-F11 PolarHBondContact O-N 2.88Å
8	D	41	Very low	41.1	Very low	110 Å²	110	132.1 Å²	132.1	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-68	-30.3	174.9	-76.6	-26.7	0	0	0	113.3	N4 C12	N4-D8 PolarHBondContact O-N 3.39Å; D8-C12 PolarHBondContact O-N 3.42Å
9	H	45.3	Very low	41	Very low	143 Å²	143	130.9 Å²	130.9	66%	0.662	64%	0.644	S	S	*	*	H	α-helix	trans	-77.2	-28.9	176.8	-109.5	-75.7	0	0	0	113.5	I7	I7-H9 VanDerWaalsContact C-N 3.34Å; I7-H9 PolarHBondContact O-N 2.92Å
10	M	39.1	Very low	40.9	Very low	152 Å²	152	133.1 Å²	133.1	75%	0.749	64%	0.644	S	S	*	*	H	α-helix	trans	-76.1	-26.7	172.7	-78.9	179.6	61.6	0	0	112.7	L6 I7	L6-M10 PolarHBondContact O-N 3.29Å; I7-M10 PolarHBondContact O-N 3.41Å
11	F	41.3	Very low	40.8	Very low	125 Å²	125	131.8 Å²	131.8	55%	0.548	64%	0.641	S	S	.	*	H	α-helix	trans	-78.5	-18.5	172.5	-94.3	-83.5	0	0	0	114.1	I7 I13 S14 R15	I7-F11 HydrophobicContact CG2-CD2 4.2Å; I7-F11 HydrophobicContact CG2-CE2 4.43Å; I7-F11 PolarHBondContact O-N 2.88Å; F11-I13 PolarHBondContact O-N 2.88Å; F11-S14 PolarHBondContact O-N 3.27Å; F11-S14 PolarHBondContact O-OG 2.97Å; F11-R15 WeakPolarHBondContact O-CB 3.31Å; F11-R15 PolarHBondContact O-N 3.33Å
12	C	39.6	Very low	41	Very low	67 Å²	67	130 Å²	130	45%	0.453	63%	0.627	S	S	.	*	H	α-helix	trans	-68.9	-28.4	175.8	-92.3	0	0	0	0	113.9	D8 C16	D8-C12 PolarHBondContact O-N 3.42Å; C12-C16 WeakPolarHBondContact O-CB 3.17Å; C12-C16 PolarHBondContact O-N 2.92Å; C12-C16 PolarHBondContact O-SG 3.16Å
13	I	42.1	Very low	41.1	Very low	145 Å²	145	130.9 Å²	130.9	74%	0.744	63%	0.628	S	S	*	*	H	α-helix	trans	-76.6	-26.7	178.1	-62.9	176.8	0	0	0	111.6	F11	F11-I13 PolarHBondContact O-N 2.88Å
14	S	41.2	Very low	41.5	Very low	66 Å²	66	128.1 Å²	128.1	46%	0.462	62%	0.62	S	S	.	*	H	α-helix	trans	-88.6	-25.5	172.6	82.1	0	0	0	0	113.4	F11	F11-S14 PolarHBondContact O-N 3.27Å; F11-S14 PolarHBondContact O-OG 2.97Å
15	R	40.4	Very low	41.1	Very low	174 Å²	174	132 Å²	132	66%	0.657	63%	0.626	S	S	*	*	H	α-helix	trans	-75.5	-35.7	172.2	-99.1	-178.8	170	171.6	-2.6	113.3	F11 K17 K18 Q19	F11-R15 WeakPolarHBondContact O-CB 3.31Å; F11-R15 PolarHBondContact O-N 3.33Å; R15-K17 PolarHBondContact O-N 3.21Å; R15-K18 PolarHBondContact O-N 3.48Å; R15-Q19 WeakPolarHBondContact O-CB 3.41Å; R15-Q19 PolarHBondContact O-N 2.53Å
16	C	43.4	Very low	40.7	Very low	76 Å²	76	132.2 Å²	132.2	51%	0.514	63%	0.63	S	S	.	*	H	α-helix	trans	-61.1	-33	174.6	-79.6	0	0	0	0	112.4	C12 K18 W20	C12-C16 WeakPolarHBondContact O-CB 3.17Å; C12-C16 PolarHBondContact O-N 2.92Å; C12-C16 PolarHBondContact O-SG 3.16Å; C16-K18 VanDerWaalsContact C-N 3.31Å; C16-K18 PolarHBondContact O-N 3.44Å; C16-W20 WeakPolarHBondContact O-CB 3.34Å; C16-W20 PolarHBondContact O-N 2.76Å
17	K	40.3	Very low	40.4	Very low	168 Å²	168	134.2 Å²	134.2	73%	0.73	64%	0.64	S	S	*	*	H	α-helix	trans	-71.5	-20.6	175.4	-151.5	169.9	-175.6	174.8	0	113.9	R15	R15-K17 PolarHBondContact O-N 3.21Å
18	K	43.9	Very low	39.7	Very low	168 Å²	168	138.5 Å²	138.5	73%	0.73	66%	0.655	S	S	*	*	H	α-helix	trans	-100.1	-18.4	175.1	-83.9	-175.3	175.4	177.8	0	114.3	R15 C16	R15-K18 PolarHBondContact O-N 3.48Å; C16-K18 VanDerWaalsContact C-N 3.31Å; C16-K18 PolarHBondContact O-N 3.44Å
19	Q	38.6	Very low	39.1	Very low	109 Å²	109	139.5 Å²	139.5	51%	0.509	67%	0.668	S	S	.	*	H	α-helix	trans	-87.6	-28.4	174.7	-122.7	160.7	-26.9	0	0	111.9	R15 D21 K22 Q23	R15-Q19 WeakPolarHBondContact O-CB 3.41Å; R15-Q19 PolarHBondContact O-N 2.53Å; Q19-D21 VanDerWaalsContact C-N 3.34Å; Q19-K22 PolarHBondContact O-N 3.38Å; Q19-Q23 PolarHBondContact O-N 3.04Å
20	W	38.8	Very low	38.4	Very low	174 Å²	174	141 Å²	141	66%	0.659	68%	0.678	S	S	*	*	H	α-helix	trans	-66.2	-35.9	171.9	-139.9	-20.3	0	0	0	112.4	C16 K22 T24	C16-W20 WeakPolarHBondContact O-CB 3.34Å; C16-W20 PolarHBondContact O-N 2.76Å; W20-K22 VanDerWaalsContact C-N 3.29Å; W20-K22 PolarHBondContact O-N 2.56Å; W20-T24 PolarHBondContact O-OG1 3.29Å
21	D	40.1	Very low	37.9	Very low	106 Å²	106	139 Å²	139	57%	0.567	68%	0.679	S	S	*	*	H	α-helix	trans	-75.6	-11.2	176.5	-84.5	-20.6	0	0	0	114.6	Q19	Q19-D21 VanDerWaalsContact C-N 3.34Å
22	K	42.7	Very low	37.2	Very low	173 Å²	173	138.4 Å²	138.4	75%	0.752	69%	0.69	S	S	*	*	H	α-helix	trans	-110.6	-14.6	-176.7	-90.2	-173.4	173.1	-175	0	115.1	Q19 W20	Q19-K22 PolarHBondContact O-N 3.38Å; W20-K22 VanDerWaalsContact C-N 3.29Å; W20-K22 PolarHBondContact O-N 2.56Å
23	Q	42	Very low	37.3	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	71%	0.71	S	S	*	*	H	α-helix	trans	-107.5	-6.6	180	-79.1	-172.9	-28.1	0	0	115.2	Q19	Q19-Q23 PolarHBondContact O-N 3.04Å
24	T	39.9	Very low	37.4	Very low	94 Å²	94	140.9 Å²	140.9	58%	0.577	70%	0.704	S	S	*	*	S	Bend	trans	-96.1	3.2	174.9	47.4	0	0	0	0	114.1	W20	W20-T24 PolarHBondContact O-OG1 3.29Å
25	R	36	Very low	38.2	Very low	196 Å²	196	141.1 Å²	141.1	74%	0.74	71%	0.705	S	S	*	*	S	Bend	trans	-87.7	2.1	-178	-74.6	-172.6	-175.3	-171.6	0.1	115.9
26	H	35.2	Very low	39.7	Very low	168 Å²	168	136.7 Å²	136.7	78%	0.778	69%	0.691	S	S	*	*	S	Bend	trans	-140.1	86.3	177	-70.6	-62.4	0	0	0	110
27	L	31.5	Very low	41.6	Very low	155 Å²	155	134.4 Å²	134.4	81%	0.812	67%	0.674	S	S	*	*	S	Bend	trans	176.8	124	148.2	-90.7	149.6	0	0	0	106.8
28	F	31.6	Very low	43.8	Very low	182 Å²	182	127.7 Å²	127.7	80%	0.798	64%	0.644	S	S	*	*			trans	85.7	103.4	-175	-58.2	-76.5	0	0	0	117.4
29	P	28.6	Very low	46	Very low	132 Å²	132	119.8 Å²	119.8	86%	0.857	61%	0.61	S	S	*	*			trans	-86.8	106.1	156.8	32.5	-21.5	0	0	0	108.4
30	M	30.3	Very low	48.5	Very low	175 Å²	175	114.6 Å²	114.6	86%	0.862	59%	0.585	S	S	*	*			trans	-135.1	123.9	161.5	-74.6	-127.5	-165.8	0	0	109.3
31	S	27.6	Very low	50.9	Low	110 Å²	110	106.6 Å²	106.6	77%	0.769	56%	0.556	S	S	*	*			trans	-54.1	134.1	174.5	43.9	0	0	0	0	113.8
32	S	27.7	Very low	53.2	Low	112 Å²	112	101.9 Å²	101.9	78%	0.783	53%	0.531	S	S	*	.			trans	47.7	88.6	151.6	62.3	0	0	0	0	119.3
33	C	40.6	Very low	55.3	Low	131 Å²	131	94.7 Å²	94.7	89%	0.885	50%	0.501	S	S	*	.			trans	-162.2	106.5	156.2	-118.8	0	0	0	0	109.5
34	E	45.7	Very low	57.3	Low	132 Å²	132	88.8 Å²	88.8	62%	0.617	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-85.4	140.4	172.4	-35.3	163.5	121.1	0	0	109.5	R84	E34-R84 VanDerWaalsContact CG-NH1 3.33Å; E34-R84 PolarHBondContact O-NH1 3.38Å; E34-R84 IonicContact OE2-CZ 3.14Å; E34-R84 IonicContact OE2-NE 2.75Å; E34-R84 IonicContact OE2-NH1 2.59Å; E34-R84 PolarHBondContact OE2-NH1 3.05Å; E34-R84 VanDerWaalsContact OE2-NH1 3.07Å; E34-R84 IonicContact OE2-NH2 3.53Å; E34-R84 PolarHBondContact OE2-NH2 3.34Å
35	P	56.4	Low	59.1	Low	72 Å²	72	92.9 Å²	92.9	47%	0.468	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-70.3	147.7	-165.4	26.7	-34.2	0	0	0	114	Y56	P35-Y56 HydrophobicContact CG-CG 4.38Å
36	Q	73.5	Confident	60.8	Low	81 Å²	81	91.1 Å²	91.1	38%	0.379	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-75.6	144.8	174.8	-68.6	179.3	-25.1	0	0	111.6	P55 V86	Q36-P55 WeakPolarHBondContact O-CD 3.32Å; Q36-P55 WeakPolarHBondContact O-CG 3.15Å; Q36-V86 HydrophobicContact CB-CG2 4.38Å
37	L	82.4	Confident	62.9	Low	27 Å²	27	86.5 Å²	86.5	14%	0.141	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.6	171.6	-63	175.8	0	0	0	110.2	L52 N54 N82 R84 L85 V86	L37-L52 HydrophobicContact CB-CD1 4.15Å; L37-N54 HydrophobicContact CD2-CB 3.69Å; L37-N82 WeakPolarHBondContact CD1-ND2 3.47Å; L37-R84 PolarHBondContact N-O 3.23Å; L37-L85 HydrophobicContact CB-CD1 3.8Å; L37-V86 PolarHBondContact O-N 3.49Å
38	Y	87.2	Confident	65.4	Low	28 Å²	28	79.1 Å²	79.1	11%	0.11	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.8	178.4	-65	-88.6	0	0	0	110.9	L52 W53 P55 V86 L170	Y38-L52 CarbonylContact O-C 3.6Å; Y38-L52 WeakPolarHBondContact O-CA 3.44Å; Y38-W53 AromaticContact CD2-CE3 3.53Å; Y38-W53 HydrophobicContact CD2-CE3 3.53Å; Y38-W53 AromaticContact CD2-CZ3 3.68Å; Y38-W53 HydrophobicContact CD2-CZ3 3.68Å; Y38-W53 HydrophobicContact CE2-CE3 4.22Å; Y38-W53 AromaticContact CE2-CZ3 3.88Å; Y38-W53 HydrophobicContact CE2-CZ3 3.88Å; Y38-W53 HydrophobicContact CG-CE3 4.21Å; Y38-W53 PolarHBondContact N-O 3.49Å; Y38-W53 VanDerWaalsContact N-O 3.11Å; Y38-W53 PolarHBondContact O-N 2.74Å; Y38-P55 HydrophobicContact CD2-CG 3.87Å; Y38-P55 HydrophobicContact CE2-CG 3.77Å; Y38-V86 HydrophobicContact CD1-CB 3.82Å; Y38-V86 HydrophobicContact CD1-CG1 4.07Å; Y38-V86 HydrophobicContact CD1-CG2 4.38Å; Y38-V86 HydrophobicContact CE1-CB 4.03Å; Y38-V86 HydrophobicContact CE1-CG1 4.16Å; Y38-V86 HydrophobicContact CE1-CG2 4.14Å; Y38-L170 HydrophobicContact CG-CD1 4.37Å
39	L	88.8	Confident	68.1	Low	1 Å²	1	70.4 Å²	70.4	1%	0.005	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.6	175.1	175.9	71	0	0	0	110.1	V41 L50 V51 L52 L79 L85 V86 I87 L88	L39-V41 HydrophobicContact CD2-CG2 4Å; L39-V41 HydrophobicContact CG-CG2 3.95Å; L39-L50 HydrophobicContact CD1-CB 4.27Å; L39-L50 HydrophobicContact CD1-CD2 4.38Å; L39-V51 CarbonylContact C-O 3.24Å; L39-V51 WeakPolarHBondContact CA-O 3.5Å; L39-L52 HydrophobicContact CB-CD1 4.04Å; L39-L52 HydrophobicContact CD1-CB 4.2Å; L39-L52 HydrophobicContact CD1-CD1 4.38Å; L39-L79 HydrophobicContact CD1-CD2 4.07Å; L39-L79 HydrophobicContact CD2-CB 4.02Å; L39-L79 HydrophobicContact CD2-CD1 3.87Å; L39-L79 HydrophobicContact CD2-CD2 3.97Å; L39-L79 HydrophobicContact CD2-CG 4.17Å; L39-L85 HydrophobicContact CB-CD1 3.81Å; L39-L85 HydrophobicContact CB-CD2 4.11Å; L39-L85 HydrophobicContact CB-CG 4.14Å; L39-L85 HydrophobicContact CD2-CD2 3.88Å; L39-V86 PolarHBondContact N-O 2.72Å; L39-I87 HydrophobicContact CD2-CG1 4.4Å; L39-I87 CarbonylContact O-C 3.57Å; L39-I87 WeakPolarHBondContact O-CA 3.35Å; L39-L88 PolarHBondContact O-N 3.38Å
40	S	91.9	Very high	71	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.3	171.2	-177.1	0	0	0	0	111.5	L50 V51 L88 Y122 A166	S40-L50 WeakPolarHBondContact O-CA 3.5Å; S40-V51 PolarHBondContact N-O 2.89Å; S40-V51 PolarHBondContact O-N 3.29Å; S40-L88 WeakPolarHBondContact CA-O 3.44Å; S40-Y122 PolarHBondContact OG-OH 3.12Å; S40-A166 WeakPolarHBondContact CB-O 3.33Å; S40-A166 VanDerWaalsContact OG-C 3.29Å; S40-A166 WeakPolarHBondContact OG-CA 3.37Å; S40-A166 PolarHBondContact OG-O 3.38Å
41	V	88.8	Confident	73.9	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.8	-174.4	-175.5	0	0	0	0	110.8	L39 I43 I48 L50 I87 L88 I89 I97 Y122	L39-V41 HydrophobicContact CD2-CG2 4Å; L39-V41 HydrophobicContact CG-CG2 3.95Å; V41-I43 HydrophobicContact CG1-CD1 4.3Å; V41-I43 HydrophobicContact CG1-CG1 4.08Å; V41-I48 HydrophobicContact CG1-CD1 3.89Å; V41-I48 HydrophobicContact CG1-CG1 4.19Å; V41-L50 HydrophobicContact CB-CD2 3.8Å; V41-L50 HydrophobicContact CG1-CD2 3.63Å; V41-L50 HydrophobicContact CG2-CD2 3.58Å; V41-I87 HydrophobicContact CG2-CG2 3.93Å; V41-L88 PolarHBondContact N-O 2.97Å; V41-I89 HydrophobicContact CB-CD1 4.25Å; V41-I89 HydrophobicContact CB-CG1 4.31Å; V41-I89 HydrophobicContact CG1-CD1 4.19Å; V41-I97 HydrophobicContact CG1-CD1 4.36Å; V41-Y122 VanDerWaalsContact O-CE1 3.25Å; V41-Y122 WeakPolarHBondContact O-CE1 3.49Å
42	C	89.2	Confident	76.8	Confident	7 Å²	7	51.7 Å²	51.7	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	171.2	-168.2	0	0	0	0	110.3	I48 G49 Y122 L162 R165 A166	C42-I48 WeakPolarHBondContact O-CA 3.43Å; C42-G49 PolarHBondContact N-O 3.44Å; C42-G49 PolarHBondContact O-N 3.26Å; C42-Y122 HydrophobicContact CB-CD1 3.77Å; C42-Y122 HydrophobicContact CB-CE1 3.98Å; C42-L162 HydrophobicContact CB-CB 4.29Å; C42-R165 HydrophobicContact CB-CB 4.4Å; C42-A166 HydrophobicContact CB-CB 4.17Å
43	I	86.4	Confident	79.6	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.3	177.2	-60	173.5	0	0	0	109.3	V41 K47 I48 S93 F96 I97	V41-I43 HydrophobicContact CG1-CD1 4.3Å; V41-I43 HydrophobicContact CG1-CG1 4.08Å; I43-K47 WeakPolarHBondContact CA-O 3.41Å; I43-I48 HydrophobicContact CD1-CD1 4.07Å; I43-I48 HydrophobicContact CG1-CB 4.24Å; I43-I48 HydrophobicContact CG1-CD1 3.91Å; I43-I48 HydrophobicContact CG1-CG1 3.9Å; I43-S93 PolarHBondContact N-OG 2.81Å; I43-F96 HydrophobicContact CD1-CD1 4.31Å; I43-F96 HydrophobicContact CG2-CD1 4.03Å; I43-F96 HydrophobicContact CG2-CE1 4.21Å; I43-I97 HydrophobicContact CD1-CD1 3.69Å; I43-I97 HydrophobicContact CD1-CG1 3.54Å
44	A	83.5	Confident	81.5	Confident	32 Å²	32	42.9 Å²	42.9	26%	0.264	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144	169.2	0	0	0	0	0	110.7	E46 K47 L162	A44-E46 PolarHBondContact O-N 2.87Å; A44-K47 PolarHBondContact N-O 3.47Å; A44-K47 PolarHBondContact O-N 3.31Å; A44-L162 HydrophobicContact CB-CD2 3.84Å
45	Q	78	Confident	83.1	Confident	181 Å²	181	38.2 Å²	38.2	85%	0.846	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	48.9	174.3	-58.4	179.2	-17.5	0	0	113.4	K47	Q45-K47 PolarHBondContact O-N 2.96Å; Q45-K47 VanDerWaalsContact O-N 3.07Å
46	E	72.9	Confident	83.9	Confident	159 Å²	159	43.3 Å²	43.3	74%	0.743	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	16.5	-178.9	-57.1	178	174.3	0	0	114.9	A44 F68	A44-E46 PolarHBondContact O-N 2.87Å; E46-F68 PolarHBondContact O-N 3.32Å
47	K	79.5	Confident	84	Confident	70 Å²	70	42 Å²	42	30%	0.304	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.1	174.4	-63.7	-179.8	-175.2	-178.8	0	110.9	I43 A44 Q45 S66 L162	I43-K47 WeakPolarHBondContact CA-O 3.41Å; A44-K47 PolarHBondContact N-O 3.47Å; A44-K47 PolarHBondContact O-N 3.31Å; Q45-K47 PolarHBondContact O-N 2.96Å; Q45-K47 VanDerWaalsContact O-N 3.07Å; K47-S66 CarbonylContact C-O 3.58Å; K47-S66 WeakPolarHBondContact CA-O 3.48Å; K47-L162 HydrophobicContact CB-CD1 3.66Å; K47-L162 WeakPolarHBondContact O-CD1 3.32Å
48	I	83.2	Confident	84	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.3	176.8	-172	161.3	0	0	0	109.3	V41 C42 I43 L50 M63 D65 S66 F68 L75	V41-I48 HydrophobicContact CG1-CD1 3.89Å; V41-I48 HydrophobicContact CG1-CG1 4.19Å; C42-I48 WeakPolarHBondContact O-CA 3.43Å; I43-I48 HydrophobicContact CD1-CD1 4.07Å; I43-I48 HydrophobicContact CG1-CB 4.24Å; I43-I48 HydrophobicContact CG1-CD1 3.91Å; I43-I48 HydrophobicContact CG1-CG1 3.9Å; I48-L50 HydrophobicContact CD1-CD2 3.96Å; I48-L50 HydrophobicContact CD1-CG 4.4Å; I48-L50 HydrophobicContact CG1-CD2 3.85Å; I48-L50 HydrophobicContact CG1-CG 4.06Å; I48-M63 HydrophobicContact CG1-CE 4.5Å; I48-M63 HydrophobicContact CG2-CE 3.48Å; I48-M63 VanDerWaalsContact CG2-CE 3.48Å; I48-D65 WeakPolarHBondContact O-CA 3.35Å; I48-S66 PolarHBondContact N-O 3.27Å; I48-S66 PolarHBondContact O-N 2.73Å; I48-F68 HydrophobicContact CB-CB 4.18Å; I48-F68 HydrophobicContact CG2-CB 3.73Å; I48-F68 HydrophobicContact CG2-CD2 4.3Å; I48-F68 HydrophobicContact CG2-CG 4.29Å; I48-L75 HydrophobicContact CD1-CD1 3.67Å; I48-L75 HydrophobicContact CD1-CD2 4.22Å
49	G	87.5	Confident	83.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.8	167.8	0	0	0	0	0	109.3	C42	C42-G49 PolarHBondContact N-O 3.44Å; C42-G49 PolarHBondContact O-N 3.26Å
50	L	89.1	Confident	83.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.8	-174.6	-57.9	175	0	0	0	111.4	L39 S40 V41 I48 Y62 M63 W74 L75 L79	L39-L50 HydrophobicContact CD1-CB 4.27Å; L39-L50 HydrophobicContact CD1-CD2 4.38Å; S40-L50 WeakPolarHBondContact O-CA 3.5Å; V41-L50 HydrophobicContact CB-CD2 3.8Å; V41-L50 HydrophobicContact CG1-CD2 3.63Å; V41-L50 HydrophobicContact CG2-CD2 3.58Å; I48-L50 HydrophobicContact CD1-CD2 3.96Å; I48-L50 HydrophobicContact CD1-CG 4.4Å; I48-L50 HydrophobicContact CG1-CD2 3.85Å; I48-L50 HydrophobicContact CG1-CG 4.06Å; L50-Y62 WeakPolarHBondContact O-CA 3.37Å; L50-M63 HydrophobicContact CB-CB 3.97Å; L50-M63 HydrophobicContact CD1-CB 4.31Å; L50-M63 HydrophobicContact CD1-CE 3.5Å; L50-M63 HydrophobicContact CD1-SD 4.05Å; L50-M63 HydrophobicContact CG-CB 4.41Å; L50-M63 HydrophobicContact CG-CE 3.79Å; L50-M63 PolarHBondContact N-O 3.35Å; L50-M63 PolarHBondContact O-N 3.35Å; L50-W74 HydrophobicContact CD1-CH2 4.29Å; L50-W74 HydrophobicContact CD1-CZ3 4.09Å; L50-L75 HydrophobicContact CD1-CD1 4.42Å; L50-L79 HydrophobicContact CD1-CD1 3.48Å; L50-L79 VanDerWaalsContact CD1-CD1 3.48Å
51	V	91.3	Very high	83.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.9	167.8	175.4	0	0	0	0	108.3	L39 S40 L60 Q61 V163 A166 L167 L170	L39-V51 CarbonylContact C-O 3.24Å; L39-V51 WeakPolarHBondContact CA-O 3.5Å; S40-V51 PolarHBondContact N-O 2.89Å; S40-V51 PolarHBondContact O-N 3.29Å; V51-L60 HydrophobicContact CG1-CD1 3.31Å; V51-L60 HydrophobicContact CG1-CD2 4.27Å; V51-L60 HydrophobicContact CG1-CG 3.85Å; V51-Q61 CarbonylContact C-O 3.51Å; V51-Q61 WeakPolarHBondContact CA-O 3.48Å; V51-V163 HydrophobicContact CG2-CG1 3.83Å; V51-A166 HydrophobicContact CB-CB 4.39Å; V51-A166 HydrophobicContact CG2-CB 4.05Å; V51-L167 HydrophobicContact CG1-CD1 4.24Å; V51-L167 HydrophobicContact CG2-CB 4.14Å; V51-L170 HydrophobicContact CG1-CD2 3.99Å
52	L	88.4	Confident	83.6	Confident	23 Å²	23	46.8 Å²	46.8	12%	0.12	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.1	174.7	178.5	69.7	0	0	0	108.2	L37 Y38 L39 Q61 L85	L37-L52 HydrophobicContact CB-CD1 4.15Å; Y38-L52 CarbonylContact O-C 3.6Å; Y38-L52 WeakPolarHBondContact O-CA 3.44Å; L39-L52 HydrophobicContact CB-CD1 4.04Å; L39-L52 HydrophobicContact CD1-CB 4.2Å; L39-L52 HydrophobicContact CD1-CD1 4.38Å; L52-Q61 HydrophobicContact CB-CB 4.23Å; L52-Q61 PolarHBondContact N-O 3.05Å; L52-Q61 PolarHBondContact O-N 2.87Å; L52-L85 HydrophobicContact CD1-CD1 3.86Å
53	W	87.9	Confident	83.3	Confident	18 Å²	18	46.7 Å²	46.7	7%	0.068	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	177.7	177.4	64.8	0	0	0	110.5	Y38 P55 L60 L170 L174 L190	Y38-W53 AromaticContact CD2-CE3 3.53Å; Y38-W53 HydrophobicContact CD2-CE3 3.53Å; Y38-W53 AromaticContact CD2-CZ3 3.68Å; Y38-W53 HydrophobicContact CD2-CZ3 3.68Å; Y38-W53 HydrophobicContact CE2-CE3 4.22Å; Y38-W53 AromaticContact CE2-CZ3 3.88Å; Y38-W53 HydrophobicContact CE2-CZ3 3.88Å; Y38-W53 HydrophobicContact CG-CE3 4.21Å; Y38-W53 PolarHBondContact N-O 3.49Å; Y38-W53 VanDerWaalsContact N-O 3.11Å; Y38-W53 PolarHBondContact O-N 2.74Å; W53-P55 HydrophobicContact CD2-CG 4.39Å; W53-P55 HydrophobicContact CE3-CB 4.38Å; W53-P55 HydrophobicContact CE3-CG 3.8Å; W53-P55 HydrophobicContact CH2-CB 3.54Å; W53-P55 HydrophobicContact CH2-CG 3.79Å; W53-P55 HydrophobicContact CZ2-CB 3.91Å; W53-P55 HydrophobicContact CZ2-CG 4.37Å; W53-P55 HydrophobicContact CZ3-CB 3.8Å; W53-P55 HydrophobicContact CZ3-CG 3.47Å; W53-P55 VanDerWaalsContact CZ3-CG 3.47Å; W53-L60 HydrophobicContact CB-CD1 3.92Å; W53-L60 HydrophobicContact CG-CD1 4.33Å; W53-L170 HydrophobicContact CB-CD1 4.34Å; W53-L170 HydrophobicContact CB-CD2 3.5Å; W53-L170 VanDerWaalsContact CB-CD2 3.5Å; W53-L170 HydrophobicContact CE3-CD1 4.37Å; W53-L170 HydrophobicContact CG-CD2 4.12Å; W53-L174 HydrophobicContact CD2-CD1 4.36Å; W53-L174 HydrophobicContact CE3-CD1 3.93Å; W53-L174 HydrophobicContact CE3-CD2 4.07Å; W53-L174 HydrophobicContact CH2-CD1 4.07Å; W53-L174 HydrophobicContact CH2-CD2 4.05Å; W53-L174 HydrophobicContact CZ2-CD1 4.47Å; W53-L174 HydrophobicContact CZ3-CD1 3.78Å; W53-L174 HydrophobicContact CZ3-CD2 3.41Å; W53-L174 VanDerWaalsContact CZ3-CD2 3.41Å; W53-L174 HydrophobicContact CZ3-CG 4.25Å; W53-L190 HydrophobicContact CD2-CD1 3.89Å; W53-L190 VanDerWaalsContact CE2-CD1 3.45Å; W53-L190 HydrophobicContact CG-CD1 4.04Å; W53-L190 HydrophobicContact CZ2-CD1 3.92Å; W53-L190 VanDerWaalsContact NE1-CD1 3.32Å
54	N	80.8	Confident	83.1	Confident	41 Å²	41	46.2 Å²	46.2	22%	0.219	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108	172.5	-176.6	-27.8	0	0	0	109	L37 Y56 T57 H58 I59	L37-N54 HydrophobicContact CD2-CB 3.69Å; N54-Y56 PolarHBondContact O-N 3.28Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.32Å; N54-Y56 PolarHBondContact OD1-N 3.46Å; N54-T57 VanDerWaalsContact CB-OG1 3.31Å; N54-T57 WeakPolarHBondContact CB-OG1 3.38Å; N54-T57 VanDerWaalsContact CG-OG1 3.26Å; N54-T57 PolarHBondContact O-N 2.99Å; N54-T57 PolarHBondContact OD1-N 3.44Å; N54-H58 WeakPolarHBondContact O-CA 3.27Å; N54-H58 PolarHBondContact O-N 3.25Å; N54-I59 PolarHBondContact N-O 2.88Å
55	P	78.6	Confident	83.1	Confident	34 Å²	34	46.4 Å²	46.4	22%	0.221	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.9	-179.5	-16	23.7	0	0	0	114	Q36 Y38 W53	Q36-P55 WeakPolarHBondContact O-CD 3.32Å; Q36-P55 WeakPolarHBondContact O-CG 3.15Å; Y38-P55 HydrophobicContact CD2-CG 3.87Å; Y38-P55 HydrophobicContact CE2-CG 3.77Å; W53-P55 HydrophobicContact CD2-CG 4.39Å; W53-P55 HydrophobicContact CE3-CB 4.38Å; W53-P55 HydrophobicContact CE3-CG 3.8Å; W53-P55 HydrophobicContact CH2-CB 3.54Å; W53-P55 HydrophobicContact CH2-CG 3.79Å; W53-P55 HydrophobicContact CZ2-CB 3.91Å; W53-P55 HydrophobicContact CZ2-CG 4.37Å; W53-P55 HydrophobicContact CZ3-CB 3.8Å; W53-P55 HydrophobicContact CZ3-CG 3.47Å; W53-P55 VanDerWaalsContact CZ3-CG 3.47Å
56	Y	73.9	Confident	82.8	Confident	179 Å²	179	39 Å²	39	70%	0.702	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-41.8	-175.7	-178	-94.6	0	0	0	112.2	P35 N54	P35-Y56 HydrophobicContact CG-CG 4.38Å; N54-Y56 PolarHBondContact O-N 3.28Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.32Å; N54-Y56 PolarHBondContact OD1-N 3.46Å
57	T	75.9	Confident	82.6	Confident	54 Å²	54	33.9 Å²	33.9	33%	0.331	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.5	179.2	63.6	0	0	0	0	112.6	N54 I59	N54-T57 VanDerWaalsContact CB-OG1 3.31Å; N54-T57 WeakPolarHBondContact CB-OG1 3.38Å; N54-T57 VanDerWaalsContact CG-OG1 3.26Å; N54-T57 PolarHBondContact O-N 2.99Å; N54-T57 PolarHBondContact OD1-N 3.44Å; T57-I59 PolarHBondContact O-N 3.45Å; T57-I59 VanDerWaalsContact O-N 3.17Å; T57-I59 WeakPolarHBondContact OG1-CB 3.35Å; T57-I59 PolarHBondContact OG1-N 3.48Å
58	H	81.4	Confident	82.1	Confident	62 Å²	62	32.1 Å²	32.1	29%	0.287	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	24.4	-171	-62.2	-83.7	0	0	0	112.9	N54 D191 I192 V193	N54-H58 WeakPolarHBondContact O-CA 3.27Å; N54-H58 PolarHBondContact O-N 3.25Å; H58-D191 WeakPolarHBondContact CB-O 3.33Å; H58-D191 WeakPolarHBondContact ND1-CB 3.37Å; H58-D191 PolarHBondContact ND1-O 3.32Å; H58-D191 VanDerWaalsContact ND1-O 3.12Å; H58-I192 WeakPolarHBondContact O-CA 3.49Å; H58-V193 HydrophobicContact CB-CB 4Å; H58-V193 HydrophobicContact CB-CG2 3.56Å; H58-V193 PolarHBondContact O-N 2.99Å
59	I	82.2	Confident	80.9	Confident	40 Å²	40	33.3 Å²	33.3	21%	0.205	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.3	177.2	-60.3	174.1	0	0	0	108.3	N54 T57 Q61 D194 Q196	N54-I59 PolarHBondContact N-O 2.88Å; T57-I59 PolarHBondContact O-N 3.45Å; T57-I59 VanDerWaalsContact O-N 3.17Å; T57-I59 WeakPolarHBondContact OG1-CB 3.35Å; T57-I59 PolarHBondContact OG1-N 3.48Å; I59-Q61 HydrophobicContact CG2-CG 4.08Å; I59-D194 HydrophobicContact CG1-CB 4.39Å; I59-Q196 HydrophobicContact CG2-CB 4.43Å; I59-Q196 HydrophobicContact CG2-CG 4.04Å
60	L	88.2	Confident	79.2	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.8	171.6	-168.4	76.1	0	0	0	109.1	V51 W53 F156 L167 L170 I192 D194 V195 Q196	V51-L60 HydrophobicContact CG1-CD1 3.31Å; V51-L60 HydrophobicContact CG1-CD2 4.27Å; V51-L60 HydrophobicContact CG1-CG 3.85Å; W53-L60 HydrophobicContact CB-CD1 3.92Å; W53-L60 HydrophobicContact CG-CD1 4.33Å; L60-F156 HydrophobicContact CD2-CE1 4.37Å; L60-F156 HydrophobicContact CD2-CZ 3.95Å; L60-L167 HydrophobicContact CD1-CD1 4.24Å; L60-L167 HydrophobicContact CD2-CD1 3.95Å; L60-L170 HydrophobicContact CD1-CD2 4.02Å; L60-I192 HydrophobicContact CB-CG1 4.44Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 3.99Å; L60-D194 PolarHBondContact N-O 3.4Å; L60-V195 HydrophobicContact CB-CG2 4.31Å; L60-V195 HydrophobicContact CD2-CG2 4.42Å; L60-V195 CarbonylContact O-C 3.55Å; L60-V195 VanDerWaalsContact O-CA 3.28Å; L60-V195 WeakPolarHBondContact O-CA 3.4Å; L60-Q196 PolarHBondContact O-N 3.16Å
61	Q	87.9	Confident	77.4	Confident	59 Å²	59	40.3 Å²	40.3	28%	0.276	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.3	172.2	-63.7	-176.9	-40.3	0	0	110	V51 L52 I59 Q196 L198	V51-Q61 CarbonylContact C-O 3.51Å; V51-Q61 WeakPolarHBondContact CA-O 3.48Å; L52-Q61 HydrophobicContact CB-CB 4.23Å; L52-Q61 PolarHBondContact N-O 3.05Å; L52-Q61 PolarHBondContact O-N 2.87Å; I59-Q61 HydrophobicContact CG2-CG 4.08Å; Q61-Q196 CarbonylContact C-O 3.58Å; Q61-Q196 VanDerWaalsContact CA-O 3.23Å; Q61-Q196 WeakPolarHBondContact CA-O 3.42Å; Q61-Q196 HydrophobicContact CG-CB 4.3Å; Q61-L198 HydrophobicContact CB-CB 4.26Å; Q61-L198 HydrophobicContact CB-CD1 4.27Å
62	Y	89.8	Confident	75.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.5	-179.8	74	-82.5	0	0	0	112.6	L50 P64 F156 P157 V163 V195 Q196 L197 L198	L50-Y62 WeakPolarHBondContact O-CA 3.37Å; Y62-P64 HydrophobicContact CD2-CG 4.19Å; Y62-P64 HydrophobicContact CE2-CG 3.78Å; Y62-F156 AromaticContact CD1-CD1 3.8Å; Y62-F156 HydrophobicContact CD1-CD1 3.8Å; Y62-F156 AromaticContact CD1-CE1 3.76Å; Y62-F156 HydrophobicContact CD1-CE1 3.76Å; Y62-F156 AromaticContact CD2-CD1 3.64Å; Y62-F156 HydrophobicContact CD2-CD1 3.64Å; Y62-F156 HydrophobicContact CD2-CE1 4.22Å; Y62-F156 HydrophobicContact CE1-CD1 4.06Å; Y62-F156 HydrophobicContact CE1-CE1 4.36Å; Y62-F156 AromaticContact CE2-CD1 3.89Å; Y62-F156 HydrophobicContact CE2-CD1 3.89Å; Y62-F156 AromaticContact CG-CD1 3.59Å; Y62-F156 HydrophobicContact CG-CD1 3.59Å; Y62-F156 AromaticContact CG-CE1 3.69Å; Y62-F156 HydrophobicContact CG-CE1 3.69Å; Y62-P157 HydrophobicContact CE2-CG 4.22Å; Y62-V163 HydrophobicContact CD2-CG1 4.12Å; Y62-V163 HydrophobicContact CD2-CG2 4.4Å; Y62-V163 HydrophobicContact CG-CG1 4.34Å; Y62-V195 HydrophobicContact CD1-CG1 3.72Å; Y62-V195 HydrophobicContact CE1-CG1 3.82Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.43Å; Y62-Q196 PolarHBondContact N-O 3.46Å; Y62-L197 HydrophobicContact CD2-CD1 4.42Å; Y62-L197 HydrophobicContact CE1-CB 4.44Å; Y62-L197 HydrophobicContact CE2-CD1 3.84Å; Y62-L198 WeakPolarHBondContact O-CB 3.34Å; Y62-L198 PolarHBondContact O-N 3.46Å
63	M	84.3	Confident	74.2	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.9	170.4	-169.5	-176.5	73.3	0	0	108.9	I48 L50 W74 V163 L198 R200	I48-M63 HydrophobicContact CG1-CE 4.5Å; I48-M63 HydrophobicContact CG2-CE 3.48Å; I48-M63 VanDerWaalsContact CG2-CE 3.48Å; L50-M63 HydrophobicContact CB-CB 3.97Å; L50-M63 HydrophobicContact CD1-CB 4.31Å; L50-M63 HydrophobicContact CD1-CE 3.5Å; L50-M63 HydrophobicContact CD1-SD 4.05Å; L50-M63 HydrophobicContact CG-CB 4.41Å; L50-M63 HydrophobicContact CG-CE 3.79Å; L50-M63 PolarHBondContact N-O 3.35Å; L50-M63 PolarHBondContact O-N 3.35Å; M63-W74 HydrophobicContact CE-CZ3 4.4Å; M63-W74 HydrophobicContact SD-CE3 4.38Å; M63-W74 HydrophobicContact SD-CH2 3.76Å; M63-W74 HydrophobicContact SD-CZ3 3.52Å; M63-W74 VanDerWaalsContact SD-CZ3 3.52Å; M63-V163 WeakPolarHBondContact O-CG2 3.43Å; M63-L198 HydrophobicContact CB-CB 4.45Å; M63-R200 HydrophobicContact SD-CG 4.11Å; M63-R200 PolarHBondContact SD-NE 2.67Å
64	P	80.2	Confident	72.8	Confident	13 Å²	13	47 Å²	47	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	153.2	175.4	-28.5	35	0	0	0	112.3	Y62 S66 P157 L197 F205	Y62-P64 HydrophobicContact CD2-CG 4.19Å; Y62-P64 HydrophobicContact CE2-CG 3.78Å; P64-S66 WeakPolarHBondContact O-CB 3.47Å; P64-S66 PolarHBondContact O-N 2.71Å; P64-S66 PolarHBondContact O-OG 3.07Å; P64-P157 HydrophobicContact CB-CG 4.41Å; P64-P157 HydrophobicContact CG-CG 4.05Å; P64-L197 HydrophobicContact CG-CD1 3.5Å; P64-L197 VanDerWaalsContact CG-CD1 3.5Å; P64-F205 HydrophobicContact CB-CE2 4.25Å; P64-F205 HydrophobicContact CG-CE2 3.61Å; P64-F205 HydrophobicContact CG-CZ 4.09Å
65	D	83.8	Confident	71.8	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.193	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	101.1	176.6	-65.2	18.4	0	0	0	110.4	I48 S160 K161 L162 V163	I48-D65 WeakPolarHBondContact O-CA 3.35Å; D65-S160 VanDerWaalsContact CG-CA 3.49Å; D65-S160 VanDerWaalsContact OD1-C 3.28Å; D65-S160 WeakPolarHBondContact OD1-CA 3.46Å; D65-K161 PolarHBondContact OD2-N 2.93Å; D65-L162 VanDerWaalsContact CG-N 3.3Å; D65-L162 WeakPolarHBondContact OD1-CA 3.22Å; D65-L162 VanDerWaalsContact OD1-CB 3.3Å; D65-L162 WeakPolarHBondContact OD1-CB 3.43Å; D65-L162 PolarHBondContact OD1-N 3Å; D65-L162 WeakPolarHBondContact OD2-CG 3.47Å; D65-L162 PolarHBondContact OD2-N 2.83Å; D65-V163 PolarHBondContact OD1-N 2.83Å
66	S	72.3	Confident	70.8	Confident	25 Å²	25	48.4 Å²	48.4	18%	0.175	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.7	-172.3	-60.6	0	0	0	0	110	K47 I48 P64	K47-S66 CarbonylContact C-O 3.58Å; K47-S66 WeakPolarHBondContact CA-O 3.48Å; I48-S66 PolarHBondContact N-O 3.27Å; I48-S66 PolarHBondContact O-N 2.73Å; P64-S66 WeakPolarHBondContact O-CB 3.47Å; P64-S66 PolarHBondContact O-N 2.71Å; P64-S66 PolarHBondContact O-OG 3.07Å
67	P	69.6	Low	69.9	Low	53 Å²	53	46 Å²	46	34%	0.344	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	140.8	166.8	-17.6	29.7	0	0	0	109.9
68	F	67.1	Low	68.7	Low	33 Å²	33	45.5 Å²	45.5	15%	0.145	23%	0.228	C	C	.	.			trans	-125.2	141.3	178	173.5	-99.2	0	0	0	110.1	E46 I48 D72 L75 I100	E46-F68 PolarHBondContact O-N 3.32Å; I48-F68 HydrophobicContact CB-CB 4.18Å; I48-F68 HydrophobicContact CG2-CB 3.73Å; I48-F68 HydrophobicContact CG2-CD2 4.3Å; I48-F68 HydrophobicContact CG2-CG 4.29Å; F68-D72 HydrophobicContact CD2-CB 3.77Å; F68-D72 HydrophobicContact CE2-CB 3.49Å; F68-D72 VanDerWaalsContact CE2-CB 3.49Å; F68-D72 HydrophobicContact CZ-CB 4.37Å; F68-L75 HydrophobicContact CD2-CD1 3.84Å; F68-L75 HydrophobicContact CE2-CB 3.87Å; F68-L75 HydrophobicContact CE2-CD1 3.65Å; F68-L75 HydrophobicContact CE2-CD2 3.94Å; F68-L75 HydrophobicContact CE2-CG 3.99Å; F68-L75 HydrophobicContact CZ-CD2 4.35Å; F68-I100 HydrophobicContact CE1-CD1 4.33Å
69	S	59.5	Low	67.5	Low	24 Å²	24	43.1 Å²	43.1	17%	0.168	22%	0.217	C	C	.	.			trans	-119.7	155.8	173.1	72.1	0	0	0	0	111.1	E71 D72 K258	S69-E71 PolarHBondContact O-N 2.81Å; S69-D72 WeakPolarHBondContact O-CB 3.45Å; S69-D72 PolarHBondContact O-N 2.8Å; S69-K258 WeakPolarHBondContact OG-CE 3.38Å; S69-K258 PolarHBondContact OG-NZ 2.96Å; S69-K258 VanDerWaalsContact OG-NZ 3.09Å
70	L	51.1	Low	66.3	Low	70 Å²	70	43.1 Å²	43.1	37%	0.366	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-29.9	178.6	-58.6	173.5	0	0	0	114.3	I100	L70-I100 VanDerWaalsContact CA-CG2 3.48Å; L70-I100 HydrophobicContact CB-CG2 3.83Å; L70-I100 HydrophobicContact CD2-CB 3.77Å; L70-I100 HydrophobicContact CD2-CD1 3.37Å; L70-I100 HydrophobicContact CD2-CG1 3.14Å; L70-I100 HydrophobicContact CD2-CG2 3.42Å; L70-I100 VanDerWaalsContact CD2-CG2 3.42Å; L70-I100 HydrophobicContact CG-CG2 4.27Å; L70-I100 WeakPolarHBondContact O-CG2 3.48Å
71	E	51.3	Low	64.3	Low	78 Å²	78	47 Å²	47	36%	0.364	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	16.6	-175	-57.3	-169	167.6	0	0	113.9	S69 K73 Q510	S69-E71 PolarHBondContact O-N 2.81Å; E71-K73 PolarHBondContact O-N 2.91Å; E71-Q510 WeakPolarHBondContact OE2-CG 3.41Å
72	D	57.3	Low	62.8	Low	22 Å²	22	47.9 Å²	47.9	12%	0.118	25%	0.25	C	C	.	.			trans	-64.7	88	-177.6	-154.6	-20.3	0	0	0	110.1	F68 S69 W74 L75 K76 R200	F68-D72 HydrophobicContact CD2-CB 3.77Å; F68-D72 HydrophobicContact CE2-CB 3.49Å; F68-D72 VanDerWaalsContact CE2-CB 3.49Å; F68-D72 HydrophobicContact CZ-CB 4.37Å; S69-D72 WeakPolarHBondContact O-CB 3.45Å; S69-D72 PolarHBondContact O-N 2.8Å; D72-W74 PolarHBondContact O-N 3.12Å; D72-W74 VanDerWaalsContact O-N 3.16Å; D72-L75 HydrophobicContact CB-CB 4.36Å; D72-L75 WeakPolarHBondContact O-CB 3.4Å; D72-L75 PolarHBondContact O-N 3.34Å; D72-K76 PolarHBondContact O-N 3.12Å; D72-R200 IonicContact OD1-NH1 2.63Å; D72-R200 IonicContact OD2-CZ 2.88Å; D72-R200 IonicContact OD2-NH1 2.66Å; D72-R200 PolarHBondContact OD2-NH1 3.3Å; D72-R200 IonicContact OD2-NH2 3.78Å; D72-R200 PolarHBondContact OD2-NH2 3.31Å
73	K	54.3	Low	61.1	Low	133 Å²	133	52.8 Å²	52.8	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-56.2	-32.8	-176.4	-72.7	179	-177	168.5	0	110.1	E71 L75 K76 Q77	E71-K73 PolarHBondContact O-N 2.91Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L75 PolarHBondContact O-N 3.43Å; K73-K76 PolarHBondContact O-N 3.42Å; K73-Q77 VanDerWaalsContact O-CB 3.24Å; K73-Q77 WeakPolarHBondContact O-CB 3.43Å; K73-Q77 VanDerWaalsContact O-CG 3.28Å; K73-Q77 WeakPolarHBondContact O-CG 3.28Å; K73-Q77 PolarHBondContact O-N 2.9Å
74	W	59.5	Low	60.4	Low	27 Å²	27	57.5 Å²	57.5	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-43.5	176.1	179.4	82.8	0	0	0	111.6	L50 M63 D72 K76 Q77 S78 L79 L198 R200	L50-W74 HydrophobicContact CD1-CH2 4.29Å; L50-W74 HydrophobicContact CD1-CZ3 4.09Å; M63-W74 HydrophobicContact CE-CZ3 4.4Å; M63-W74 HydrophobicContact SD-CE3 4.38Å; M63-W74 HydrophobicContact SD-CH2 3.76Å; M63-W74 HydrophobicContact SD-CZ3 3.52Å; M63-W74 VanDerWaalsContact SD-CZ3 3.52Å; D72-W74 PolarHBondContact O-N 3.12Å; D72-W74 VanDerWaalsContact O-N 3.16Å; W74-K76 VanDerWaalsContact C-N 3.33Å; W74-K76 PolarHBondContact O-N 2.94Å; W74-Q77 PolarHBondContact O-N 3.49Å; W74-S78 PolarHBondContact NE1-OG 3.29Å; W74-S78 VanDerWaalsContact NE1-OG 3.13Å; W74-S78 WeakPolarHBondContact O-CA 3.24Å; W74-S78 VanDerWaalsContact O-CB 3.22Å; W74-S78 WeakPolarHBondContact O-CB 3.29Å; W74-S78 PolarHBondContact O-N 3.35Å; W74-L79 HydrophobicContact CH2-CD1 4.35Å; W74-L79 HydrophobicContact CH2-CD2 4.11Å; W74-L79 HydrophobicContact CH2-CG 4.23Å; W74-L79 HydrophobicContact CZ3-CD1 4.05Å; W74-L79 HydrophobicContact CZ3-CG 4.25Å; W74-L198 HydrophobicContact CH2-CD2 3.85Å; W74-L198 HydrophobicContact CH2-CG 4.38Å; W74-L198 HydrophobicContact CZ2-CD2 4.14Å; W74-L198 HydrophobicContact CZ2-CG 4.25Å; W74-R200 HydrophobicContact CD2-CB 4.28Å; W74-R200 HydrophobicContact CD2-CG 3.74Å; W74-R200 HydrophobicContact CE3-CG 3.97Å; W74-R200 HydrophobicContact CG-CB 4.32Å; W74-R200 HydrophobicContact CG-CG 4.21Å; W74-R200 HydrophobicContact CH2-CG 4.31Å; W74-R200 HydrophobicContact CZ2-CG 4.11Å; W74-R200 HydrophobicContact CZ3-CG 4.25Å
75	L	59.8	Low	60.3	Low	8 Å²	8	57.1 Å²	57.1	4%	0.042	29%	0.291	C	S	.	.	I	π-helix	trans	-62.6	-45.1	178.9	-139	112.3	0	0	0	110.2	I48 L50 F68 D72 K73 L79 F80	I48-L75 HydrophobicContact CD1-CD1 3.67Å; I48-L75 HydrophobicContact CD1-CD2 4.22Å; L50-L75 HydrophobicContact CD1-CD1 4.42Å; F68-L75 HydrophobicContact CD2-CD1 3.84Å; F68-L75 HydrophobicContact CE2-CB 3.87Å; F68-L75 HydrophobicContact CE2-CD1 3.65Å; F68-L75 HydrophobicContact CE2-CD2 3.94Å; F68-L75 HydrophobicContact CE2-CG 3.99Å; F68-L75 HydrophobicContact CZ-CD2 4.35Å; D72-L75 HydrophobicContact CB-CB 4.36Å; D72-L75 WeakPolarHBondContact O-CB 3.4Å; D72-L75 PolarHBondContact O-N 3.34Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L75 PolarHBondContact O-N 3.43Å; L75-L79 HydrophobicContact CD1-CD1 4.12Å; L75-L79 HydrophobicContact CD2-CD1 4.27Å; L75-L79 HydrophobicContact CG-CD1 3.7Å; L75-L79 WeakPolarHBondContact O-CB 3.24Å; L75-L79 PolarHBondContact O-N 3.38Å; L75-F80 HydrophobicContact CD2-CE2 4.09Å; L75-F80 HydrophobicContact CD2-CZ 4.38Å; L75-F80 WeakPolarHBondContact O-CD2 3.37Å; L75-F80 VanDerWaalsContact O-CE2 3.24Å; L75-F80 WeakPolarHBondContact O-CE2 3.33Å
76	K	58.4	Low	60.3	Low	95 Å²	95	55.5 Å²	55.5	41%	0.413	28%	0.282	S	S	.	.	I	π-helix	trans	-62.3	-44.2	176.2	-72.2	-172.2	-179.8	-179.4	0	113.1	D72 K73 W74	D72-K76 PolarHBondContact O-N 3.12Å; K73-K76 PolarHBondContact O-N 3.42Å; W74-K76 VanDerWaalsContact C-N 3.33Å; W74-K76 PolarHBondContact O-N 2.94Å
77	Q	53.9	Low	60.9	Low	129 Å²	129	54.5 Å²	54.5	60%	0.603	28%	0.275	S	S	*	.	I	π-helix	trans	-90.7	-34.3	-170.3	-70.1	175.3	-17.2	0	0	114.1	K73 W74 S81	K73-Q77 VanDerWaalsContact O-CB 3.24Å; K73-Q77 WeakPolarHBondContact O-CB 3.43Å; K73-Q77 VanDerWaalsContact O-CG 3.28Å; K73-Q77 WeakPolarHBondContact O-CG 3.28Å; K73-Q77 PolarHBondContact O-N 2.9Å; W74-Q77 PolarHBondContact O-N 3.49Å; Q77-S81 WeakPolarHBondContact O-CB 3.25Å; Q77-S81 PolarHBondContact O-OG 2.88Å
78	S	50.9	Low	61.9	Low	44 Å²	44	52 Å²	52	31%	0.308	26%	0.259	S	S	.	.	I	π-helix	trans	-96.7	-32.8	-172.7	-61.9	0	0	0	0	113.1	W74	W74-S78 PolarHBondContact NE1-OG 3.29Å; W74-S78 VanDerWaalsContact NE1-OG 3.13Å; W74-S78 WeakPolarHBondContact O-CA 3.24Å; W74-S78 VanDerWaalsContact O-CB 3.22Å; W74-S78 WeakPolarHBondContact O-CB 3.29Å; W74-S78 PolarHBondContact O-N 3.35Å
79	L	56.5	Low	62.9	Low	11 Å²	11	50.5 Å²	50.5	6%	0.058	25%	0.252	C	S	.	.	I	π-helix	trans	-87.5	-41	177.6	-60.9	177.1	0	0	0	111.3	L39 L50 W74 L75 L85 L198	L39-L79 HydrophobicContact CD1-CD2 4.07Å; L39-L79 HydrophobicContact CD2-CB 4.02Å; L39-L79 HydrophobicContact CD2-CD1 3.87Å; L39-L79 HydrophobicContact CD2-CD2 3.97Å; L39-L79 HydrophobicContact CD2-CG 4.17Å; L50-L79 HydrophobicContact CD1-CD1 3.48Å; L50-L79 VanDerWaalsContact CD1-CD1 3.48Å; W74-L79 HydrophobicContact CH2-CD1 4.35Å; W74-L79 HydrophobicContact CH2-CD2 4.11Å; W74-L79 HydrophobicContact CH2-CG 4.23Å; W74-L79 HydrophobicContact CZ3-CD1 4.05Å; W74-L79 HydrophobicContact CZ3-CG 4.25Å; L75-L79 HydrophobicContact CD1-CD1 4.12Å; L75-L79 HydrophobicContact CD2-CD1 4.27Å; L75-L79 HydrophobicContact CG-CD1 3.7Å; L75-L79 WeakPolarHBondContact O-CB 3.24Å; L75-L79 PolarHBondContact O-N 3.38Å; L79-L85 WeakPolarHBondContact O-CD2 3.34Å; L79-L198 HydrophobicContact CD2-CD2 4.36Å
80	F	56.3	Low	64.3	Low	41 Å²	41	49.7 Å²	49.7	18%	0.18	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	12	-176.2	-47.5	-85.1	0	0	0	115	L75 I87 F106 I112	L75-F80 HydrophobicContact CD2-CE2 4.09Å; L75-F80 HydrophobicContact CD2-CZ 4.38Å; L75-F80 WeakPolarHBondContact O-CD2 3.37Å; L75-F80 VanDerWaalsContact O-CE2 3.24Å; L75-F80 WeakPolarHBondContact O-CE2 3.33Å; F80-I87 HydrophobicContact CD1-CD1 3.6Å; F80-I87 HydrophobicContact CE1-CD1 3.28Å; F80-I87 HydrophobicContact CZ-CD1 4.4Å; F80-F106 AromaticContact CD1-CE1 3.88Å; F80-F106 HydrophobicContact CD1-CE1 3.88Å; F80-F106 HydrophobicContact CD1-CZ 4.37Å; F80-F106 AromaticContact CE1-CE1 3.39Å; F80-F106 HydrophobicContact CE1-CE1 3.39Å; F80-F106 AromaticContact CE1-CZ 3.63Å; F80-F106 HydrophobicContact CE1-CZ 3.63Å; F80-F106 HydrophobicContact CZ-CE1 4.17Å; F80-F106 AromaticContact CZ-CZ 3.92Å; F80-F106 HydrophobicContact CZ-CZ 3.92Å; F80-I112 HydrophobicContact CB-CD1 3.65Å; F80-I112 HydrophobicContact CD1-CD1 4.01Å; F80-I112 HydrophobicContact CG-CD1 4.32Å; F80-I112 WeakPolarHBondContact O-CD1 3.2Å
81	S	47.1	Very low	65.8	Low	81 Å²	81	50.9 Å²	50.9	57%	0.566	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.2	172.6	48.6	0	0	0	0	113.7	Q77	Q77-S81 WeakPolarHBondContact O-CB 3.25Å; Q77-S81 PolarHBondContact O-OG 2.88Å
82	N	56.9	Low	67.3	Low	78 Å²	78	50.6 Å²	50.6	42%	0.417	26%	0.255	S	S	.	.			trans	-94.7	113.3	-177.1	-147.6	-23.9	0	0	0	110.1	L37 R84	L37-N82 WeakPolarHBondContact CD1-ND2 3.47Å; N82-R84 PolarHBondContact O-N 3.46Å
83	D	53.5	Low	68.5	Low	104 Å²	104	49.8 Å²	49.8	56%	0.556	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	3.9	-175.3	-71.2	-32.9	0	0	0	114.3	G111	D83-G111 CarbonylContact O-C 3.59Å; D83-G111 VanDerWaalsContact O-C 3.24Å; D83-G111 WeakPolarHBondContact O-CA 3.35Å
84	R	69.8	Low	69.7	Low	102 Å²	102	45 Å²	45	39%	0.385	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	44.8	179.6	-59.1	-167.2	-172	168.9	22.7	113	E34 L37 N82	E34-R84 VanDerWaalsContact CG-NH1 3.33Å; E34-R84 PolarHBondContact O-NH1 3.38Å; E34-R84 IonicContact OE2-CZ 3.14Å; E34-R84 IonicContact OE2-NE 2.75Å; E34-R84 IonicContact OE2-NH1 2.59Å; E34-R84 PolarHBondContact OE2-NH1 3.05Å; E34-R84 VanDerWaalsContact OE2-NH1 3.07Å; E34-R84 IonicContact OE2-NH2 3.53Å; E34-R84 PolarHBondContact OE2-NH2 3.34Å; L37-R84 PolarHBondContact N-O 3.23Å; N82-R84 PolarHBondContact O-N 3.46Å
85	L	77	Confident	70.4	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129	-179.6	-168.4	68.6	0	0	0	111.6	L37 L39 L52 L79 I87 I112 Q113	L37-L85 HydrophobicContact CB-CD1 3.8Å; L39-L85 HydrophobicContact CB-CD1 3.81Å; L39-L85 HydrophobicContact CB-CD2 4.11Å; L39-L85 HydrophobicContact CB-CG 4.14Å; L39-L85 HydrophobicContact CD2-CD2 3.88Å; L52-L85 HydrophobicContact CD1-CD1 3.86Å; L79-L85 WeakPolarHBondContact O-CD2 3.34Å; L85-I87 HydrophobicContact CD2-CD1 4.05Å; L85-I87 HydrophobicContact CD2-CG1 3.83Å; L85-I87 HydrophobicContact CG-CG1 4.03Å; L85-I112 HydrophobicContact CB-CG1 4.41Å; L85-I112 WeakPolarHBondContact O-CA 3.42Å; L85-Q113 PolarHBondContact O-N 3.01Å
86	V	84.1	Confident	70.9	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.6	167.6	-176	0	0	0	0	108.8	Q36 L37 Y38 L39 L88 Q113 E115	Q36-V86 HydrophobicContact CB-CG2 4.38Å; L37-V86 PolarHBondContact O-N 3.49Å; Y38-V86 HydrophobicContact CD1-CB 3.82Å; Y38-V86 HydrophobicContact CD1-CG1 4.07Å; Y38-V86 HydrophobicContact CD1-CG2 4.38Å; Y38-V86 HydrophobicContact CE1-CB 4.03Å; Y38-V86 HydrophobicContact CE1-CG1 4.16Å; Y38-V86 HydrophobicContact CE1-CG2 4.14Å; L39-V86 PolarHBondContact N-O 2.72Å; V86-L88 HydrophobicContact CG1-CD2 4.06Å; V86-Q113 CarbonylContact C-O 3.57Å; V86-Q113 WeakPolarHBondContact CA-O 3.35Å; V86-Q113 HydrophobicContact CG2-CB 4.4Å; V86-E115 HydrophobicContact CG1-CG 4.19Å
87	I	85.4	Confident	71.4	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.1	-177.7	-56.5	-175.7	0	0	0	109.6	L39 V41 F80 L85 I89 I112 Q113 T114 E115	L39-I87 HydrophobicContact CD2-CG1 4.4Å; L39-I87 CarbonylContact O-C 3.57Å; L39-I87 WeakPolarHBondContact O-CA 3.35Å; V41-I87 HydrophobicContact CG2-CG2 3.93Å; F80-I87 HydrophobicContact CD1-CD1 3.6Å; F80-I87 HydrophobicContact CE1-CD1 3.28Å; F80-I87 HydrophobicContact CZ-CD1 4.4Å; L85-I87 HydrophobicContact CD2-CD1 4.05Å; L85-I87 HydrophobicContact CD2-CG1 3.83Å; L85-I87 HydrophobicContact CG-CG1 4.03Å; I87-I89 HydrophobicContact CG2-CB 4.47Å; I87-I112 HydrophobicContact CD1-CG2 3.53Å; I87-I112 HydrophobicContact CG1-CG2 3.9Å; I87-Q113 PolarHBondContact N-O 3.3Å; I87-T114 CarbonylContact O-C 3.57Å; I87-T114 WeakPolarHBondContact O-CA 3.32Å; I87-E115 PolarHBondContact O-N 3.26Å
88	L	89.4	Confident	72	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.9	174.4	-45.4	176.1	0	0	0	108.5	L39 S40 V41 V86 E115 I117 Y122 L170 R173	L39-L88 PolarHBondContact O-N 3.38Å; S40-L88 WeakPolarHBondContact CA-O 3.44Å; V41-L88 PolarHBondContact N-O 2.97Å; V86-L88 HydrophobicContact CG1-CD2 4.06Å; L88-E115 HydrophobicContact CD2-CB 4.04Å; L88-I117 HydrophobicContact CB-CG1 4.2Å; L88-Y122 PolarHBondContact O-OH 3.39Å; L88-L170 HydrophobicContact CD1-CB 4.34Å; L88-L170 HydrophobicContact CD1-CD1 3.92Å; L88-R173 HydrophobicContact CD1-CB 3.61Å; L88-R173 HydrophobicContact CD1-CG 3.8Å; L88-R173 HydrophobicContact CD2-CB 4.21Å; L88-R173 HydrophobicContact CD2-CG 3.73Å; L88-R173 HydrophobicContact CG-CG 4.43Å
89	I	88.6	Confident	72.5	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.9	-174.7	-167	163.3	0	0	0	111.3	V41 I87 L94 I97 T114 E115 I116 I117	V41-I89 HydrophobicContact CB-CD1 4.25Å; V41-I89 HydrophobicContact CB-CG1 4.31Å; V41-I89 HydrophobicContact CG1-CD1 4.19Å; I87-I89 HydrophobicContact CG2-CB 4.47Å; I89-L94 HydrophobicContact CD1-CB 4.35Å; I89-L94 HydrophobicContact CG2-CB 4.08Å; I89-L94 HydrophobicContact CG2-CD1 4.31Å; I89-I97 HydrophobicContact CD1-CD1 3.39Å; I89-I97 HydrophobicContact CD1-CG1 4.35Å; I89-T114 HydrophobicContact CG2-CG2 3.78Å; I89-E115 PolarHBondContact N-O 2.85Å; I89-E115 VanDerWaalsContact N-O 3.09Å; I89-I116 CarbonylContact O-C 3.53Å; I89-I116 VanDerWaalsContact O-CA 3.31Å; I89-I116 WeakPolarHBondContact O-CA 3.28Å; I89-I117 PolarHBondContact O-N 2.92Å
90	T	88.4	Confident	72.2	Confident	6 Å²	6	48 Å²	48	4%	0.037	25%	0.254	C	S	.	.			trans	-85.8	151.8	170.8	70.4	0	0	0	0	111	S93 L94 Q119 Y122	T90-S93 PolarHBondContact O-N 3.33Å; T90-S93 VanDerWaalsContact O-N 3.11Å; T90-S93 WeakPolarHBondContact OG1-CB 3.46Å; T90-S93 PolarHBondContact OG1-N 3.43Å; T90-S93 PolarHBondContact OG1-OG 3.42Å; T90-L94 PolarHBondContact O-N 2.8Å; T90-Q119 HydrophobicContact CG2-CB 4.39Å; T90-Y122 HydrophobicContact CG2-CD1 4.22Å; T90-Y122 HydrophobicContact CG2-CD2 3.63Å; T90-Y122 HydrophobicContact CG2-CE2 4.06Å; T90-Y122 HydrophobicContact CG2-CG 3.72Å
91	E	83.5	Confident	72	Confident	96 Å²	96	48 Å²	48	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-55.3	-43.2	179.4	-163.9	-168.3	152.5	0	0	113.7	S93 L94 K95 I116	E91-S93 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 2.91Å; E91-K95 PolarHBondContact O-N 2.98Å; E91-K95 VanDerWaalsContact OE1-CE 3.24Å; E91-K95 WeakPolarHBondContact OE1-CE 3.27Å; E91-K95 IonicContact OE1-NZ 3.85Å; E91-K95 PolarHBondContact OE1-NZ 3.24Å; E91-I116 HydrophobicContact CB-CG2 4.01Å
92	P	83.1	Confident	72.1	Confident	71 Å²	71	47.3 Å²	47.3	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.8	-22.3	34.3	0	0	0	113	L94 F96	P92-L94 VanDerWaalsContact C-N 3.35Å; P92-F96 WeakPolarHBondContact O-CB 3.33Å; P92-F96 PolarHBondContact O-N 2.98Å; P92-F96 VanDerWaalsContact O-N 3.08Å
93	S	81.9	Confident	71.7	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-36.3	176.7	-59.4	0	0	0	0	111.5	I43 T90 E91 F96 I97	I43-S93 PolarHBondContact N-OG 2.81Å; T90-S93 PolarHBondContact O-N 3.33Å; T90-S93 VanDerWaalsContact O-N 3.11Å; T90-S93 WeakPolarHBondContact OG1-CB 3.46Å; T90-S93 PolarHBondContact OG1-N 3.43Å; T90-S93 PolarHBondContact OG1-OG 3.42Å; E91-S93 PolarHBondContact O-N 2.93Å; S93-F96 WeakPolarHBondContact O-CB 3.38Å; S93-F96 PolarHBondContact O-N 3.28Å; S93-I97 WeakPolarHBondContact O-CG1 3.43Å; S93-I97 PolarHBondContact O-N 3.28Å
94	L	80.5	Confident	71.3	Confident	31 Å²	31	49.3 Å²	49.3	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-46.1	175.9	-178.1	63.7	0	0	0	111.6	I89 T90 E91 P92 F96 I97 S98 F106 T114 I116	I89-L94 HydrophobicContact CD1-CB 4.35Å; I89-L94 HydrophobicContact CG2-CB 4.08Å; I89-L94 HydrophobicContact CG2-CD1 4.31Å; T90-L94 PolarHBondContact O-N 2.8Å; E91-L94 PolarHBondContact O-N 2.91Å; P92-L94 VanDerWaalsContact C-N 3.35Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 PolarHBondContact O-N 2.93Å; L94-I97 PolarHBondContact O-N 3.3Å; L94-S98 VanDerWaalsContact O-CB 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.34Å; L94-S98 PolarHBondContact O-N 3.36Å; L94-S98 PolarHBondContact O-OG 3.05Å; L94-F106 HydrophobicContact CD1-CD2 4.49Å; L94-T114 HydrophobicContact CD1-CG2 4.15Å; L94-I116 HydrophobicContact CD2-CD1 3.83Å; L94-I116 HydrophobicContact CD2-CG1 4.06Å
95	K	74.3	Confident	70.2	Confident	131 Å²	131	51 Å²	51	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-57.7	-43.1	175.1	-73.8	178.5	-175.5	166.1	0	111.2	E91 S98 S99	E91-K95 PolarHBondContact O-N 2.98Å; E91-K95 VanDerWaalsContact OE1-CE 3.24Å; E91-K95 WeakPolarHBondContact OE1-CE 3.27Å; E91-K95 IonicContact OE1-NZ 3.85Å; E91-K95 PolarHBondContact OE1-NZ 3.24Å; K95-S98 PolarHBondContact O-N 3.05Å; K95-S99 PolarHBondContact O-N 3.15Å; K95-S99 PolarHBondContact O-OG 3.5Å
96	F	70.4	Confident	68.9	Low	86 Å²	86	52.2 Å²	52.2	38%	0.377	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-56.8	174.6	-167.9	-103.8	0	0	0	110.7	I43 P92 S93 L94 S98 S99 I100	I43-F96 HydrophobicContact CD1-CD1 4.31Å; I43-F96 HydrophobicContact CG2-CD1 4.03Å; I43-F96 HydrophobicContact CG2-CE1 4.21Å; P92-F96 WeakPolarHBondContact O-CB 3.33Å; P92-F96 PolarHBondContact O-N 2.98Å; P92-F96 VanDerWaalsContact O-N 3.08Å; S93-F96 WeakPolarHBondContact O-CB 3.38Å; S93-F96 PolarHBondContact O-N 3.28Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 PolarHBondContact O-N 2.93Å; F96-S98 VanDerWaalsContact C-N 3.27Å; F96-S98 PolarHBondContact O-N 2.9Å; F96-S99 PolarHBondContact O-N 3.4Å; F96-S99 PolarHBondContact O-OG 3.03Å; F96-I100 HydrophobicContact CD1-CD1 3.39Å; F96-I100 HydrophobicContact CD2-CD1 4.27Å; F96-I100 HydrophobicContact CE1-CD1 3.3Å; F96-I100 HydrophobicContact CE2-CD1 4.19Å; F96-I100 HydrophobicContact CG-CD1 3.9Å; F96-I100 HydrophobicContact CZ-CD1 3.72Å; F96-I100 WeakPolarHBondContact O-CD1 3.42Å; F96-I100 WeakPolarHBondContact O-CG1 3.14Å; F96-I100 PolarHBondContact O-N 2.74Å
97	I	67.5	Low	66.9	Low	8 Å²	8	59.3 Å²	59.3	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-57.7	-40.2	178.4	-64.2	177.8	0	0	0	111.7	V41 I43 I89 S93 L94 I100 V101 F106	V41-I97 HydrophobicContact CG1-CD1 4.36Å; I43-I97 HydrophobicContact CD1-CD1 3.69Å; I43-I97 HydrophobicContact CD1-CG1 3.54Å; I89-I97 HydrophobicContact CD1-CD1 3.39Å; I89-I97 HydrophobicContact CD1-CG1 4.35Å; S93-I97 WeakPolarHBondContact O-CG1 3.43Å; S93-I97 PolarHBondContact O-N 3.28Å; L94-I97 PolarHBondContact O-N 3.3Å; I97-I100 WeakPolarHBondContact O-CB 3.17Å; I97-I100 PolarHBondContact O-N 3.21Å; I97-I100 VanDerWaalsContact O-N 3.12Å; I97-V101 HydrophobicContact CG2-CG2 3.75Å; I97-V101 VanDerWaalsContact O-CG2 3.28Å; I97-V101 WeakPolarHBondContact O-CG2 3.23Å; I97-V101 PolarHBondContact O-N 3.47Å; I97-F106 HydrophobicContact CG2-CE2 3.92Å; I97-F106 HydrophobicContact CG2-CZ 3.98Å
98	S	67.2	Low	64.6	Low	34 Å²	34	65 Å²	65	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-42.8	-177.4	-53.5	0	0	0	0	112.2	L94 K95 F96 I100 V101 G102	L94-S98 VanDerWaalsContact O-CB 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.34Å; L94-S98 PolarHBondContact O-N 3.36Å; L94-S98 PolarHBondContact O-OG 3.05Å; K95-S98 PolarHBondContact O-N 3.05Å; F96-S98 VanDerWaalsContact C-N 3.27Å; F96-S98 PolarHBondContact O-N 2.9Å; S98-I100 PolarHBondContact O-N 2.87Å; S98-I100 VanDerWaalsContact O-N 3.1Å; S98-V101 PolarHBondContact O-N 2.87Å; S98-G102 PolarHBondContact O-N 3.45Å; S98-G102 VanDerWaalsContact O-N 3.13Å
99	S	60.8	Low	62.3	Low	92 Å²	92	70.9 Å²	70.9	64%	0.643	39%	0.394	S	S	*	.	H	α-helix	trans	-60.9	-20.6	174.6	63.4	0	0	0	0	113.7	K95 F96	K95-S99 PolarHBondContact O-N 3.15Å; K95-S99 PolarHBondContact O-OG 3.5Å; F96-S99 PolarHBondContact O-N 3.4Å; F96-S99 PolarHBondContact O-OG 3.03Å
100	I	51.3	Low	60.6	Low	26 Å²	26	73.2 Å²	73.2	13%	0.133	41%	0.411	C	S	.	.	H	α-helix	trans	-98.3	-40	-172.4	-61.8	173.2	0	0	0	110.8	F68 L70 F96 I97 S98 G102	F68-I100 HydrophobicContact CE1-CD1 4.33Å; L70-I100 VanDerWaalsContact CA-CG2 3.48Å; L70-I100 HydrophobicContact CB-CG2 3.83Å; L70-I100 HydrophobicContact CD2-CB 3.77Å; L70-I100 HydrophobicContact CD2-CD1 3.37Å; L70-I100 HydrophobicContact CD2-CG1 3.14Å; L70-I100 HydrophobicContact CD2-CG2 3.42Å; L70-I100 VanDerWaalsContact CD2-CG2 3.42Å; L70-I100 HydrophobicContact CG-CG2 4.27Å; L70-I100 WeakPolarHBondContact O-CG2 3.48Å; F96-I100 HydrophobicContact CD1-CD1 3.39Å; F96-I100 HydrophobicContact CD2-CD1 4.27Å; F96-I100 HydrophobicContact CE1-CD1 3.3Å; F96-I100 HydrophobicContact CE2-CD1 4.19Å; F96-I100 HydrophobicContact CG-CD1 3.9Å; F96-I100 HydrophobicContact CZ-CD1 3.72Å; F96-I100 WeakPolarHBondContact O-CD1 3.42Å; F96-I100 WeakPolarHBondContact O-CG1 3.14Å; F96-I100 PolarHBondContact O-N 2.74Å; I97-I100 WeakPolarHBondContact O-CB 3.17Å; I97-I100 PolarHBondContact O-N 3.21Å; I97-I100 VanDerWaalsContact O-N 3.12Å; S98-I100 PolarHBondContact O-N 2.87Å; S98-I100 VanDerWaalsContact O-N 3.1Å; I100-G102 VanDerWaalsContact C-N 3.27Å
101	V	51.4	Low	59.1	Low	42 Å²	42	75.1 Å²	75.1	26%	0.255	43%	0.432	S	S	.	.	H	α-helix	trans	-80.9	-13	-179.4	-177	0	0	0	0	111.1	I97 S98 T103	I97-V101 HydrophobicContact CG2-CG2 3.75Å; I97-V101 VanDerWaalsContact O-CG2 3.28Å; I97-V101 WeakPolarHBondContact O-CG2 3.23Å; I97-V101 PolarHBondContact O-N 3.47Å; S98-V101 PolarHBondContact O-N 2.87Å; V101-T103 VanDerWaalsContact C-N 3.29Å; V101-T103 PolarHBondContact O-N 3.27Å
102	G	48.5	Very low	58.4	Low	66 Å²	66	71.1 Å²	71.1	68%	0.68	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	24.4	169.6	0	0	0	0	0	113.8	S98 I100	S98-G102 PolarHBondContact O-N 3.45Å; S98-G102 VanDerWaalsContact O-N 3.13Å; I100-G102 VanDerWaalsContact C-N 3.27Å
103	T	49.2	Very low	58.1	Low	58 Å²	58	72.5 Å²	72.5	36%	0.356	41%	0.413	S	S	.	.			trans	-142.7	128.9	-179.8	46.6	0	0	0	0	112	V101 K105	V101-T103 VanDerWaalsContact C-N 3.29Å; V101-T103 PolarHBondContact O-N 3.27Å; T103-K105 PolarHBondContact O-N 3.47Å
104	D	45.5	Very low	58	Low	166 Å²	166	73.5 Å²	73.5	89%	0.888	42%	0.419	S	S	*	.	S	Bend	trans	-66.7	13.3	157.9	-68.9	-39.8	0	0	0	112.5
105	K	46.5	Very low	58.3	Low	137 Å²	137	74 Å²	74	60%	0.596	42%	0.421	S	S	*	.			trans	-105.7	34.4	-170.1	-63.6	-170	175.5	-176.8	0	114.1	T103 H107	T103-K105 PolarHBondContact O-N 3.47Å; K105-H107 PolarHBondContact O-N 2.55Å; K105-H107 VanDerWaalsContact O-N 3.15Å
106	F	48.3	Very low	59	Low	31 Å²	31	72 Å²	72	14%	0.136	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.1	160.3	-97	-74.5	0	0	0	112.9	F80 L94 I97	F80-F106 AromaticContact CD1-CE1 3.88Å; F80-F106 HydrophobicContact CD1-CE1 3.88Å; F80-F106 HydrophobicContact CD1-CZ 4.37Å; F80-F106 AromaticContact CE1-CE1 3.39Å; F80-F106 HydrophobicContact CE1-CE1 3.39Å; F80-F106 AromaticContact CE1-CZ 3.63Å; F80-F106 HydrophobicContact CE1-CZ 3.63Å; F80-F106 HydrophobicContact CZ-CE1 4.17Å; F80-F106 AromaticContact CZ-CZ 3.92Å; F80-F106 HydrophobicContact CZ-CZ 3.92Å; L94-F106 HydrophobicContact CD1-CD2 4.49Å; I97-F106 HydrophobicContact CG2-CE2 3.92Å; I97-F106 HydrophobicContact CG2-CZ 3.98Å
107	H	44	Very low	59.8	Low	151 Å²	151	68 Å²	68	70%	0.699	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-2.8	-172.4	-76.4	-62	0	0	0	116.5	K105	K105-H107 PolarHBondContact O-N 2.55Å; K105-H107 VanDerWaalsContact O-N 3.15Å
108	I	37.3	Very low	60.8	Low	126 Å²	126	70.7 Å²	70.7	65%	0.646	42%	0.416	S	S	*	.	S	Bend	trans	-148.6	80	-170.1	-44.9	175.1	0	0	0	111
109	S	40.9	Very low	61.8	Low	123 Å²	123	75.4 Å²	75.4	86%	0.86	43%	0.434	S	S	*	.	S	Bend	trans	155.2	2.7	145.9	65.1	0	0	0	0	116.2
110	S	52.1	Low	63.1	Low	51 Å²	51	74.8 Å²	74.8	36%	0.357	43%	0.43	S	S	.	.	S	Bend	trans	-129.2	143.8	170.7	49.8	0	0	0	0	108	I112	S110-I112 PolarHBondContact O-N 2.88Å
111	G	57.1	Low	65	Low	46 Å²	46	77 Å²	77	47%	0.474	44%	0.437	S	S	.	.	S	Bend	trans	-67.5	24.2	-175.9	0	0	0	0	0	115.3	D83	D83-G111 CarbonylContact O-C 3.59Å; D83-G111 VanDerWaalsContact O-C 3.24Å; D83-G111 WeakPolarHBondContact O-CA 3.35Å
112	I	67.8	Low	66.8	Low	12 Å²	12	75.5 Å²	75.5	6%	0.062	43%	0.427	C	S	.	.			trans	-82.9	124.8	-178.7	-62.2	172.7	0	0	0	108.7	F80 L85 I87 S110	F80-I112 HydrophobicContact CB-CD1 3.65Å; F80-I112 HydrophobicContact CD1-CD1 4.01Å; F80-I112 HydrophobicContact CG-CD1 4.32Å; F80-I112 WeakPolarHBondContact O-CD1 3.2Å; L85-I112 HydrophobicContact CB-CG1 4.41Å; L85-I112 WeakPolarHBondContact O-CA 3.42Å; I87-I112 HydrophobicContact CD1-CG2 3.53Å; I87-I112 HydrophobicContact CG1-CG2 3.9Å; S110-I112 PolarHBondContact O-N 2.88Å
113	Q	77.4	Confident	68.8	Low	100 Å²	100	74 Å²	74	47%	0.467	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.6	172.8	-65.8	-178.3	-16	0	0	108.8	L85 V86 I87	L85-Q113 PolarHBondContact O-N 3.01Å; V86-Q113 CarbonylContact C-O 3.57Å; V86-Q113 WeakPolarHBondContact CA-O 3.35Å; V86-Q113 HydrophobicContact CG2-CB 4.4Å; I87-Q113 PolarHBondContact N-O 3.3Å
114	T	80.4	Confident	70.7	Confident	27 Å²	27	73.8 Å²	73.8	17%	0.166	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	175.5	-54	0	0	0	0	109.1	I87 I89 L94	I87-T114 CarbonylContact O-C 3.57Å; I87-T114 WeakPolarHBondContact O-CA 3.32Å; I89-T114 HydrophobicContact CG2-CG2 3.78Å; L94-T114 HydrophobicContact CD1-CG2 4.15Å
115	E	86.2	Confident	72.7	Confident	41 Å²	41	71.7 Å²	71.7	19%	0.192	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.7	176	-65.7	-170.1	-160	0	0	110.8	V86 I87 L88 I89 R173	V86-E115 HydrophobicContact CG1-CG 4.19Å; I87-E115 PolarHBondContact O-N 3.26Å; L88-E115 HydrophobicContact CD2-CB 4.04Å; I89-E115 PolarHBondContact N-O 2.85Å; I89-E115 VanDerWaalsContact N-O 3.09Å; E115-R173 IonicContact OE1-CZ 3.03Å; E115-R173 IonicContact OE1-NE 3.25Å; E115-R173 PolarHBondContact OE1-NE 3.35Å; E115-R173 VanDerWaalsContact OE1-NE 3.1Å; E115-R173 IonicContact OE1-NH2 2.73Å; E115-R173 PolarHBondContact OE1-NH2 2.75Å; E115-R173 WeakPolarHBondContact OE2-CD 3.48Å; E115-R173 IonicContact OE2-CZ 3.07Å; E115-R173 IonicContact OE2-NE 3.35Å; E115-R173 PolarHBondContact OE2-NE 3.01Å; E115-R173 IonicContact OE2-NH2 3.91Å
116	I	88.3	Confident	74.7	Confident	90 Å²	90	67.2 Å²	67.2	46%	0.462	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.4	178.1	-59.1	176.3	0	0	0	109.3	I89 E91 L94	I89-I116 CarbonylContact O-C 3.53Å; I89-I116 VanDerWaalsContact O-CA 3.31Å; I89-I116 WeakPolarHBondContact O-CA 3.28Å; E91-I116 HydrophobicContact CB-CG2 4.01Å; L94-I116 HydrophobicContact CD2-CD1 3.83Å; L94-I116 HydrophobicContact CD2-CG1 4.06Å
117	I	89.2	Confident	76.6	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	36%	0.36	C	S	.	.			trans	-105.4	136.5	176.8	-56.7	-60	0	0	0	109.5	L88 I89 Q119 Y122 Y172	L88-I117 HydrophobicContact CB-CG1 4.2Å; I89-I117 PolarHBondContact O-N 2.92Å; I117-Q119 PolarHBondContact O-N 3.45Å; I117-Y122 HydrophobicContact CB-CD2 4.33Å; I117-Y122 HydrophobicContact CB-CE2 3.68Å; I117-Y122 HydrophobicContact CG1-CE2 4.27Å; I117-Y122 HydrophobicContact CG2-CD2 4Å; I117-Y122 HydrophobicContact CG2-CE2 3.7Å; I117-Y172 HydrophobicContact CD1-CD1 4.19Å; I117-Y172 HydrophobicContact CD1-CE1 4.34Å; I117-Y172 HydrophobicContact CG2-CD1 3.65Å; I117-Y172 HydrophobicContact CG2-CE1 4.08Å
118	P	88.4	Confident	78.7	Confident	64 Å²	64	59 Å²	59	42%	0.416	33%	0.329	S	S	.	.			trans	-58.4	136.5	177.3	-23.2	32.3	0	0	0	112.4	S120 Y121	P118-S120 PolarHBondContact O-N 2.81Å; P118-S120 VanDerWaalsContact O-N 3.09Å; P118-Y121 HydrophobicContact CB-CD2 3.75Å; P118-Y121 HydrophobicContact CB-CE2 3.96Å; P118-Y121 HydrophobicContact CG-CD2 3.96Å; P118-Y121 HydrophobicContact CG-CE2 3.94Å; P118-Y121 PolarHBondContact O-N 3.27Å
119	Q	87.4	Confident	81.1	Confident	133 Å²	133	57.2 Å²	57.2	62%	0.621	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-58.7	-27.1	-174.4	-172.3	176.6	6.8	0	0	113.6	T90 I117 Y121 Y122	T90-Q119 HydrophobicContact CG2-CB 4.39Å; I117-Q119 PolarHBondContact O-N 3.45Å; Q119-Y121 PolarHBondContact O-N 3.06Å; Q119-Y122 PolarHBondContact O-N 3.5Å; Q119-Y122 VanDerWaalsContact O-N 3.09Å
120	S	88.3	Confident	83.1	Confident	78 Å²	78	52.7 Å²	52.7	55%	0.545	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.1	-32.4	175.5	51.3	0	0	0	0	113.3	P118 S123	P118-S120 PolarHBondContact O-N 2.81Å; P118-S120 VanDerWaalsContact O-N 3.09Å; S120-S123 WeakPolarHBondContact O-CB 3.18Å; S120-S123 PolarHBondContact O-OG 3.5Å
121	Y	90.5	Very high	84.5	Confident	73 Å²	73	50.5 Å²	50.5	29%	0.286	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-85	-12.9	179.8	-59.3	-68.9	0	0	0	113.2	P118 Q119 S123 F126 S168 Y172	P118-Y121 HydrophobicContact CB-CD2 3.75Å; P118-Y121 HydrophobicContact CB-CE2 3.96Å; P118-Y121 HydrophobicContact CG-CD2 3.96Å; P118-Y121 HydrophobicContact CG-CE2 3.94Å; P118-Y121 PolarHBondContact O-N 3.27Å; Q119-Y121 PolarHBondContact O-N 3.06Å; Y121-S123 PolarHBondContact O-N 3.34Å; Y121-S123 VanDerWaalsContact O-N 3.08Å; Y121-F126 HydrophobicContact CD1-CD1 4.48Å; Y121-F126 AromaticContact CD1-CD2 3.78Å; Y121-F126 HydrophobicContact CD1-CD2 3.78Å; Y121-F126 HydrophobicContact CD1-CE1 4.38Å; Y121-F126 AromaticContact CD1-CE2 3.67Å; Y121-F126 HydrophobicContact CD1-CE2 3.67Å; Y121-F126 HydrophobicContact CD1-CG 4.19Å; Y121-F126 AromaticContact CD1-CZ 3.99Å; Y121-F126 HydrophobicContact CD1-CZ 3.99Å; Y121-F126 HydrophobicContact CE1-CD2 4.24Å; Y121-F126 AromaticContact CE1-CE2 3.9Å; Y121-F126 HydrophobicContact CE1-CE2 3.9Å; Y121-F126 HydrophobicContact CE1-CZ 4.44Å; Y121-S168 CarbonylContact O-C 3.41Å; Y121-S168 VanDerWaalsContact O-CB 3.23Å; Y121-S168 WeakPolarHBondContact O-CB 3.5Å; Y121-S168 PolarHBondContact O-OG 3.09Å; Y121-Y172 AromaticContact CD1-CD2 3.39Å; Y121-Y172 HydrophobicContact CD1-CD2 3.39Å; Y121-Y172 AromaticContact CD1-CE2 3.69Å; Y121-Y172 HydrophobicContact CD1-CE2 3.69Å; Y121-Y172 AromaticContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD2-CD1 4.12Å; Y121-Y172 HydrophobicContact CD2-CD2 4Å; Y121-Y172 AromaticContact CD2-CE1 3.9Å; Y121-Y172 HydrophobicContact CD2-CE1 3.9Å; Y121-Y172 AromaticContact CD2-CE2 3.79Å; Y121-Y172 HydrophobicContact CD2-CE2 3.79Å; Y121-Y172 HydrophobicContact CD2-CG 4.16Å; Y121-Y172 AromaticContact CD2-CZ 3.73Å; Y121-Y172 AromaticContact CE1-CD2 3.63Å; Y121-Y172 HydrophobicContact CE1-CD2 3.63Å; Y121-Y172 AromaticContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE1-CE2 3.46Å; Y121-Y172 VanDerWaalsContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE2-CD2 4.21Å; Y121-Y172 HydrophobicContact CE2-CE1 4.14Å; Y121-Y172 AromaticContact CE2-CE2 3.57Å; Y121-Y172 HydrophobicContact CE2-CE2 3.57Å; Y121-Y172 AromaticContact CE2-CZ 3.52Å; Y121-Y172 HydrophobicContact CG-CD1 4.12Å; Y121-Y172 AromaticContact CG-CD2 3.59Å; Y121-Y172 HydrophobicContact CG-CD2 3.59Å; Y121-Y172 HydrophobicContact CG-CE1 4.32Å; Y121-Y172 AromaticContact CG-CE2 3.84Å; Y121-Y172 HydrophobicContact CG-CE2 3.84Å; Y121-Y172 AromaticContact CG-CG 3.74Å; Y121-Y172 HydrophobicContact CG-CG 3.74Å; Y121-Y172 AromaticContact CZ-CE2 3.39Å; Y121-Y172 AromaticContact CZ-CZ 3.82Å
122	Y	90.5	Very high	85.5	Confident	10 Å²	10	54.1 Å²	54.1	4%	0.039	28%	0.278	C	S	.	.	S	Bend	trans	-84.4	53.8	167.2	-84.6	-107.9	0	0	0	110.3	S40 V41 C42 L88 T90 I117 Q119 R165 G169	S40-Y122 PolarHBondContact OG-OH 3.12Å; V41-Y122 VanDerWaalsContact O-CE1 3.25Å; V41-Y122 WeakPolarHBondContact O-CE1 3.49Å; C42-Y122 HydrophobicContact CB-CD1 3.77Å; C42-Y122 HydrophobicContact CB-CE1 3.98Å; L88-Y122 PolarHBondContact O-OH 3.39Å; T90-Y122 HydrophobicContact CG2-CD1 4.22Å; T90-Y122 HydrophobicContact CG2-CD2 3.63Å; T90-Y122 HydrophobicContact CG2-CE2 4.06Å; T90-Y122 HydrophobicContact CG2-CG 3.72Å; I117-Y122 HydrophobicContact CB-CD2 4.33Å; I117-Y122 HydrophobicContact CB-CE2 3.68Å; I117-Y122 HydrophobicContact CG1-CE2 4.27Å; I117-Y122 HydrophobicContact CG2-CD2 4Å; I117-Y122 HydrophobicContact CG2-CE2 3.7Å; Q119-Y122 PolarHBondContact O-N 3.5Å; Q119-Y122 VanDerWaalsContact O-N 3.09Å; Y122-R165 HydrophobicContact CD1-CB 4.39Å; Y122-R165 VanDerWaalsContact CD1-O 3.29Å; Y122-R165 WeakPolarHBondContact CD1-O 3.27Å; Y122-R165 WeakPolarHBondContact O-CD 3.39Å; Y122-R165 VanDerWaalsContact O-CG 3.26Å; Y122-R165 WeakPolarHBondContact O-CG 3.19Å; Y122-G169 VanDerWaalsContact CE2-CA 3.49Å
123	S	90.3	Very high	86.1	Confident	35 Å²	35	55.5 Å²	55.5	25%	0.245	29%	0.286	C	S	.	.	S	Bend	trans	-127	140.1	-178.6	69	0	0	0	0	111.5	S120 Y121 Q125 F126 L127 S168	S120-S123 WeakPolarHBondContact O-CB 3.18Å; S120-S123 PolarHBondContact O-OG 3.5Å; Y121-S123 PolarHBondContact O-N 3.34Å; Y121-S123 VanDerWaalsContact O-N 3.08Å; S123-Q125 PolarHBondContact O-N 2.87Å; S123-F126 PolarHBondContact O-N 3.36Å; S123-F126 VanDerWaalsContact OG-CB 3.31Å; S123-F126 WeakPolarHBondContact OG-CB 3.24Å; S123-F126 PolarHBondContact OG-N 3.31Å; S123-L127 PolarHBondContact O-N 3.27Å; S123-S168 WeakPolarHBondContact O-CB 3.43Å; S123-S168 PolarHBondContact O-OG 2.79Å
124	E	87.6	Confident	86.3	Confident	54 Å²	54	50.8 Å²	50.8	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-32.2	175.6	-171.4	-177.9	155.7	0	0	111.1	L127 M128 K153 L164	E124-L127 PolarHBondContact O-N 3.01Å; E124-M128 HydrophobicContact CG-CE 4.34Å; E124-M128 HydrophobicContact CG-CG 4.4Å; E124-M128 WeakPolarHBondContact O-CG 3.44Å; E124-M128 PolarHBondContact O-N 2.9Å; E124-K153 WeakPolarHBondContact OE1-CE 3.33Å; E124-K153 IonicContact OE1-NZ 2.77Å; E124-K153 PolarHBondContact OE1-NZ 3.33Å; E124-L164 HydrophobicContact CG-CD1 4.22Å
125	Q	88	Confident	86.4	Confident	121 Å²	121	51.1 Å²	51.1	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-60.9	-48.5	177.3	-172.4	60.9	32.5	0	0	111.5	S123 L127 M128 D129	S123-Q125 PolarHBondContact O-N 2.87Å; Q125-L127 PolarHBondContact O-N 3.4Å; Q125-M128 PolarHBondContact O-N 2.97Å; Q125-M128 VanDerWaalsContact O-N 3.14Å; Q125-D129 PolarHBondContact NE2-OD1 3.24Å; Q125-D129 VanDerWaalsContact NE2-OD1 3.17Å; Q125-D129 PolarHBondContact NE2-OD2 3.5Å; Q125-D129 VanDerWaalsContact O-CG 3.3Å; Q125-D129 PolarHBondContact O-N 2.95Å
126	F	89.2	Confident	86.3	Confident	43 Å²	43	49.5 Å²	49.5	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-43.5	178.9	-179.5	-93.7	0	0	0	112.4	Y121 S123 M128 D129 S130 S168 Y172	Y121-F126 HydrophobicContact CD1-CD1 4.48Å; Y121-F126 AromaticContact CD1-CD2 3.78Å; Y121-F126 HydrophobicContact CD1-CD2 3.78Å; Y121-F126 HydrophobicContact CD1-CE1 4.38Å; Y121-F126 AromaticContact CD1-CE2 3.67Å; Y121-F126 HydrophobicContact CD1-CE2 3.67Å; Y121-F126 HydrophobicContact CD1-CG 4.19Å; Y121-F126 AromaticContact CD1-CZ 3.99Å; Y121-F126 HydrophobicContact CD1-CZ 3.99Å; Y121-F126 HydrophobicContact CE1-CD2 4.24Å; Y121-F126 AromaticContact CE1-CE2 3.9Å; Y121-F126 HydrophobicContact CE1-CE2 3.9Å; Y121-F126 HydrophobicContact CE1-CZ 4.44Å; S123-F126 PolarHBondContact O-N 3.36Å; S123-F126 VanDerWaalsContact OG-CB 3.31Å; S123-F126 WeakPolarHBondContact OG-CB 3.24Å; S123-F126 PolarHBondContact OG-N 3.31Å; F126-M128 VanDerWaalsContact C-N 3.31Å; F126-M128 PolarHBondContact O-N 2.96Å; F126-D129 PolarHBondContact O-N 3.28Å; F126-S130 WeakPolarHBondContact CZ-OG 3.39Å; F126-S130 WeakPolarHBondContact O-CB 3.41Å; F126-S130 PolarHBondContact O-N 3.45Å; F126-S130 PolarHBondContact O-OG 3.45Å; F126-S130 VanDerWaalsContact O-OG 3.06Å; F126-S168 WeakPolarHBondContact CD1-OG 3.35Å; F126-Y172 HydrophobicContact CE1-CD2 4.35Å; F126-Y172 AromaticContact CZ-CD2 3.9Å; F126-Y172 HydrophobicContact CZ-CD2 3.9Å
127	L	88.8	Confident	85.9	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-45.2	174.7	177.9	64.2	0	0	0	111.8	S123 E124 Q125 D129 H131 M134 I152 L164 L167 S168 L171	S123-L127 PolarHBondContact O-N 3.27Å; E124-L127 PolarHBondContact O-N 3.01Å; Q125-L127 PolarHBondContact O-N 3.4Å; L127-D129 VanDerWaalsContact C-N 3.33Å; L127-H131 PolarHBondContact O-N 3.16Å; L127-H131 VanDerWaalsContact O-N 3.13Å; L127-M134 HydrophobicContact CD1-CE 3.73Å; L127-M134 HydrophobicContact CD1-SD 3.97Å; L127-I152 HydrophobicContact CD2-CG2 4.49Å; L127-L164 HydrophobicContact CD2-CB 4.15Å; L127-L164 HydrophobicContact CD2-CD2 3.93Å; L127-L164 WeakPolarHBondContact CD2-O 3.24Å; L127-L167 HydrophobicContact CD1-CD2 4.05Å; L127-L167 HydrophobicContact CD1-CG 3.92Å; L127-L167 HydrophobicContact CD2-CB 4.39Å; L127-L167 HydrophobicContact CD2-CD2 4.03Å; L127-L167 HydrophobicContact CD2-CG 4.35Å; L127-S168 PolarHBondContact N-OG 2.9Å; L127-L171 HydrophobicContact CD1-CD2 3.87Å
128	M	88.3	Confident	85.6	Confident	11 Å²	11	52.7 Å²	52.7	5%	0.054	28%	0.281	C	S	.	.	H	α-helix	trans	-70.9	-29.6	-178.3	-66.3	-63.8	141.2	0	0	112.4	E124 Q125 F126 H131 K149 I152 K153	E124-M128 HydrophobicContact CG-CE 4.34Å; E124-M128 HydrophobicContact CG-CG 4.4Å; E124-M128 WeakPolarHBondContact O-CG 3.44Å; E124-M128 PolarHBondContact O-N 2.9Å; Q125-M128 PolarHBondContact O-N 2.97Å; Q125-M128 VanDerWaalsContact O-N 3.14Å; F126-M128 VanDerWaalsContact C-N 3.31Å; F126-M128 PolarHBondContact O-N 2.96Å; M128-H131 PolarHBondContact O-ND1 3.23Å; M128-K149 HydrophobicContact CB-CD 4.21Å; M128-K149 WeakPolarHBondContact O-CE 3.5Å; M128-K149 PolarHBondContact O-NZ 3.36Å; M128-K149 HydrophobicContact SD-CB 3.8Å; M128-K149 HydrophobicContact SD-CD 4.41Å; M128-K149 HydrophobicContact SD-CG 3.93Å; M128-I152 HydrophobicContact CE-CG2 4.46Å; M128-K153 HydrophobicContact CE-CD 4.17Å; M128-K153 HydrophobicContact CE-CG 3.67Å; M128-K153 HydrophobicContact SD-CG 4.47Å
129	D	85.9	Confident	85.4	Confident	88 Å²	88	50.2 Å²	50.2	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-80.5	-34.9	177.7	-65.5	-21.6	0	0	0	111.3	Q125 F126 L127 H131 K149	Q125-D129 PolarHBondContact NE2-OD1 3.24Å; Q125-D129 VanDerWaalsContact NE2-OD1 3.17Å; Q125-D129 PolarHBondContact NE2-OD2 3.5Å; Q125-D129 VanDerWaalsContact O-CG 3.3Å; Q125-D129 PolarHBondContact O-N 2.95Å; F126-D129 PolarHBondContact O-N 3.28Å; L127-D129 VanDerWaalsContact C-N 3.33Å; D129-H131 PolarHBondContact O-N 3.35Å; D129-K149 IonicContact OD1-NZ 3.88Å
130	S	83.2	Confident	85.2	Confident	28 Å²	28	46.7 Å²	46.7	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	-91.3	7.1	-179	-51.5	0	0	0	0	114.3	F126 Q132 V133	F126-S130 WeakPolarHBondContact CZ-OG 3.39Å; F126-S130 WeakPolarHBondContact O-CB 3.41Å; F126-S130 PolarHBondContact O-N 3.45Å; F126-S130 PolarHBondContact O-OG 3.45Å; F126-S130 VanDerWaalsContact O-OG 3.06Å; S130-Q132 PolarHBondContact O-N 2.72Å; S130-V133 VanDerWaalsContact O-CG2 3.32Å; S130-V133 WeakPolarHBondContact O-CG2 3.24Å; S130-V133 PolarHBondContact O-N 2.86Å
131	H	82.2	Confident	84.7	Confident	5 Å²	5	51 Å²	51	2%	0.023	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.7	-15.7	-171.4	74.6	-69.1	0	0	0	116	L127 M128 D129 V133 M134 D145 R148 I152	L127-H131 PolarHBondContact O-N 3.16Å; L127-H131 VanDerWaalsContact O-N 3.13Å; M128-H131 PolarHBondContact O-ND1 3.23Å; D129-H131 PolarHBondContact O-N 3.35Å; H131-V133 VanDerWaalsContact C-N 3.27Å; H131-V133 PolarHBondContact O-N 3.26Å; H131-M134 HydrophobicContact CB-CE 4.21Å; H131-M134 PolarHBondContact O-N 3.16Å; H131-D145 IonicContact NE2-OD1 3.76Å; H131-R148 PolarHBondContact O-NH2 2.94Å; H131-I152 HydrophobicContact CB-CD1 3.65Å
132	Q	78.6	Confident	84.4	Confident	122 Å²	122	53.8 Å²	53.8	57%	0.57	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.1	-26.9	179.9	-68.2	-179.7	-11.9	0	0	112.5	S130 M134	S130-Q132 PolarHBondContact O-N 2.72Å; Q132-M134 PolarHBondContact O-N 2.93Å
133	V	79	Confident	84.1	Confident	40 Å²	40	55.9 Å²	55.9	24%	0.242	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-80.6	-4.5	179.5	-48.6	0	0	0	0	113.4	S130 H131 L171 T175 I189 L190	S130-V133 VanDerWaalsContact O-CG2 3.32Å; S130-V133 WeakPolarHBondContact O-CG2 3.24Å; S130-V133 PolarHBondContact O-N 2.86Å; H131-V133 VanDerWaalsContact C-N 3.27Å; H131-V133 PolarHBondContact O-N 3.26Å; V133-L171 HydrophobicContact CG2-CD1 3.48Å; V133-L171 VanDerWaalsContact CG2-CD1 3.48Å; V133-L171 HydrophobicContact CG2-CD2 4.2Å; V133-L171 HydrophobicContact CG2-CG 4.01Å; V133-T175 HydrophobicContact CG2-CG2 3.81Å; V133-I189 HydrophobicContact CB-CB 4.38Å; V133-I189 HydrophobicContact CB-CD1 4.16Å; V133-I189 HydrophobicContact CB-CG1 4.49Å; V133-I189 HydrophobicContact CG1-CD1 4.27Å; V133-I189 PolarHBondContact O-N 3.47Å; V133-I189 VanDerWaalsContact O-N 3.14Å; V133-L190 PolarHBondContact O-N 3.1Å
134	M	82.2	Confident	83.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.5	174.5	-61	-167.4	-63.1	0	0	110.6	L127 H131 Q132 R148 I152 L167 L171 L190	L127-M134 HydrophobicContact CD1-CE 3.73Å; L127-M134 HydrophobicContact CD1-SD 3.97Å; H131-M134 HydrophobicContact CB-CE 4.21Å; H131-M134 PolarHBondContact O-N 3.16Å; Q132-M134 PolarHBondContact O-N 2.93Å; M134-R148 PolarHBondContact O-NH2 3.38Å; M134-I152 HydrophobicContact CE-CD1 3.38Å; M134-I152 HydrophobicContact CE-CG1 3.91Å; M134-I152 HydrophobicContact CE-CG2 4.05Å; M134-L167 HydrophobicContact SD-CD2 4.4Å; M134-L171 HydrophobicContact CG-CD1 3.5Å; M134-L171 VanDerWaalsContact CG-CD1 3.5Å; M134-L171 HydrophobicContact CG-CD2 4.19Å; M134-L171 HydrophobicContact SD-CD1 4.05Å; M134-L171 HydrophobicContact SD-CD2 4.21Å; M134-L190 HydrophobicContact CG-CB 4.32Å; M134-L190 HydrophobicContact CG-CD2 4.03Å; M134-L190 HydrophobicContact SD-CD2 3.96Å
135	S	82.2	Confident	83.7	Confident	34 Å²	34	58.5 Å²	58.5	24%	0.238	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.8	171.2	175.9	0	0	0	0	109	N188 L190 D191 I192	S135-N188 VanDerWaalsContact CB-CG 3.43Å; S135-N188 VanDerWaalsContact CB-ND2 3.31Å; S135-N188 WeakPolarHBondContact CB-ND2 3.32Å; S135-N188 PolarHBondContact OG-ND2 3.37Å; S135-L190 PolarHBondContact N-O 3.13Å; S135-D191 WeakPolarHBondContact CB-OD1 3.33Å; S135-D191 PolarHBondContact OG-OD1 3.32Å; S135-I192 PolarHBondContact O-N 3.21Å
136	I	83.4	Confident	83.5	Confident	8 Å²	8	60.8 Å²	60.8	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	110.5	-179.9	-51.8	-179.2	0	0	0	106	F138 M139 F151 I152 L155 I192	I136-F138 HydrophobicContact CG2-CD1 3.93Å; I136-F138 HydrophobicContact CG2-CD2 4.23Å; I136-F138 HydrophobicContact CG2-CE1 3.5Å; I136-F138 VanDerWaalsContact CG2-CE1 3.5Å; I136-F138 HydrophobicContact CG2-CE2 3.83Å; I136-F138 HydrophobicContact CG2-CG 4.26Å; I136-F138 HydrophobicContact CG2-CZ 3.44Å; I136-F138 VanDerWaalsContact CG2-CZ 3.44Å; I136-F138 PolarHBondContact O-N 2.94Å; I136-M139 HydrophobicContact CB-CB 3.97Å; I136-M139 HydrophobicContact CB-CE 4.25Å; I136-M139 HydrophobicContact CG1-CE 4.44Å; I136-M139 HydrophobicContact CG2-CB 4.41Å; I136-M139 VanDerWaalsContact O-CB 3.26Å; I136-M139 WeakPolarHBondContact O-CB 3.36Å; I136-M139 PolarHBondContact O-N 3.01Å; I136-F151 HydrophobicContact CD1-CE1 4.47Å; I136-F151 HydrophobicContact CG2-CE1 4.04Å; I136-I152 HydrophobicContact CD1-CG1 4.01Å; I136-L155 HydrophobicContact CD1-CD1 3.6Å; I136-I192 WeakPolarHBondContact CA-O 3.35Å; I136-I192 HydrophobicContact CG1-CB 4.33Å; I136-I192 HydrophobicContact CG1-CD1 4.26Å
137	S	80.8	Confident	83.3	Confident	79 Å²	79	59.7 Å²	59.7	55%	0.552	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.1	-166.8	64.5	0	0	0	0	114.3	I192 V193	S137-I192 PolarHBondContact N-O 3.09Å; S137-I192 PolarHBondContact OG-O 2.85Å; S137-V193 WeakPolarHBondContact OG-CA 3.41Å; S137-V193 PolarHBondContact OG-O 3.35Å
138	F	82.3	Confident	83.3	Confident	80 Å²	80	62.3 Å²	62.3	35%	0.351	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.6	-179.6	58.5	-90.6	0	0	0	113.4	I136 F151 L155 V193 V195	I136-F138 HydrophobicContact CG2-CD1 3.93Å; I136-F138 HydrophobicContact CG2-CD2 4.23Å; I136-F138 HydrophobicContact CG2-CE1 3.5Å; I136-F138 VanDerWaalsContact CG2-CE1 3.5Å; I136-F138 HydrophobicContact CG2-CE2 3.83Å; I136-F138 HydrophobicContact CG2-CG 4.26Å; I136-F138 HydrophobicContact CG2-CZ 3.44Å; I136-F138 VanDerWaalsContact CG2-CZ 3.44Å; I136-F138 PolarHBondContact O-N 2.94Å; F138-F151 HydrophobicContact CD2-CE1 4.26Å; F138-F151 AromaticContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CD2-CZ 3.67Å; F138-F151 AromaticContact CE2-CE1 3.99Å; F138-F151 HydrophobicContact CE2-CE1 3.99Å; F138-F151 AromaticContact CE2-CZ 3.72Å; F138-F151 HydrophobicContact CE2-CZ 3.72Å; F138-L155 HydrophobicContact CE2-CD2 3.6Å; F138-L155 HydrophobicContact CZ-CD2 3.87Å; F138-V193 WeakPolarHBondContact CD1-O 3.08Å; F138-V195 HydrophobicContact CZ-CG2 4.08Å
139	M	85.5	Confident	83.2	Confident	11 Å²	11	64.6 Å²	64.6	5%	0.054	36%	0.36	C	S	.	.	S	Bend	trans	-77.1	132.8	171.1	-177	167.4	49.1	0	0	110	I136 N141 L143 R148 F151	I136-M139 HydrophobicContact CB-CB 3.97Å; I136-M139 HydrophobicContact CB-CE 4.25Å; I136-M139 HydrophobicContact CG1-CE 4.44Å; I136-M139 HydrophobicContact CG2-CB 4.41Å; I136-M139 VanDerWaalsContact O-CB 3.26Å; I136-M139 WeakPolarHBondContact O-CB 3.36Å; I136-M139 PolarHBondContact O-N 3.01Å; M139-N141 PolarHBondContact O-N 2.73Å; M139-L143 HydrophobicContact CG-CD1 3.81Å; M139-L143 HydrophobicContact SD-CD1 4.41Å; M139-R148 HydrophobicContact SD-CB 4.21Å; M139-R148 HydrophobicContact SD-CG 4Å; M139-F151 HydrophobicContact CB-CD1 3.89Å; M139-F151 HydrophobicContact CB-CE1 3.53Å; M139-F151 HydrophobicContact CB-CZ 3.89Å; M139-F151 HydrophobicContact CG-CD1 3.61Å; M139-F151 HydrophobicContact CG-CD2 4.35Å; M139-F151 HydrophobicContact CG-CE1 3.81Å; M139-F151 HydrophobicContact CG-CG 3.91Å; M139-F151 HydrophobicContact CG-CZ 4.25Å; M139-F151 HydrophobicContact SD-CB 4.31Å; M139-F151 HydrophobicContact SD-CD1 3.67Å; M139-F151 HydrophobicContact SD-CE1 4.29Å; M139-F151 HydrophobicContact SD-CG 4.14Å
140	P	81.8	Confident	83.1	Confident	60 Å²	60	61.7 Å²	61.7	39%	0.39	35%	0.345	S	S	.	.			trans	-62	126.7	176.6	-19.6	28.5	0	0	0	111.8	T142 L143	P140-T142 PolarHBondContact O-N 3.03Å; P140-L143 HydrophobicContact CB-CD1 4.35Å; P140-L143 HydrophobicContact CB-CG 4.12Å; P140-L143 HydrophobicContact CG-CD1 4.21Å; P140-L143 HydrophobicContact CG-CG 4.42Å; P140-L143 WeakPolarHBondContact O-CG 3.25Å; P140-L143 PolarHBondContact O-N 3.05Å
141	N	79.2	Confident	83.3	Confident	167 Å²	167	62.2 Å²	62.2	89%	0.893	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.6	179.6	-66.1	-16.7	0	0	0	113.8	M139	M139-N141 PolarHBondContact O-N 2.73Å
142	T	83.2	Confident	83.6	Confident	132 Å²	132	62 Å²	62	81%	0.81	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.3	-177.5	57.7	0	0	0	0	113.8	P140	P140-T142 PolarHBondContact O-N 3.03Å
143	L	83.4	Confident	83.9	Confident	55 Å²	55	60 Å²	60	29%	0.288	33%	0.332	S	S	.	.			trans	-78.2	124.3	-178.2	-65.5	176	0	0	0	111.1	M139 P140 R148 F151	M139-L143 HydrophobicContact CG-CD1 3.81Å; M139-L143 HydrophobicContact SD-CD1 4.41Å; P140-L143 HydrophobicContact CB-CD1 4.35Å; P140-L143 HydrophobicContact CB-CG 4.12Å; P140-L143 HydrophobicContact CG-CD1 4.21Å; P140-L143 HydrophobicContact CG-CG 4.42Å; P140-L143 WeakPolarHBondContact O-CG 3.25Å; P140-L143 PolarHBondContact O-N 3.05Å; L143-R148 HydrophobicContact CB-CG 3.94Å; L143-F151 HydrophobicContact CD1-CB 3.93Å; L143-F151 HydrophobicContact CD1-CD2 4.17Å; L143-F151 HydrophobicContact CD1-CG 4.19Å
144	G	85.8	Confident	84.1	Confident	51 Å²	51	58.8 Å²	58.8	53%	0.526	33%	0.326	S	S	.	.			trans	-69.5	175.8	163.6	0	0	0	0	0	112	F146 G147 R148	G144-F146 VanDerWaalsContact C-N 3.33Å; G144-F146 PolarHBondContact O-N 3.1Å; G144-G147 WeakPolarHBondContact O-CA 3.35Å; G144-G147 PolarHBondContact O-N 2.99Å; G144-R148 PolarHBondContact O-N 2.78Å
145	D	84.2	Confident	84.3	Confident	92 Å²	92	58.9 Å²	58.9	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-51.1	-46.9	-173.8	-67.8	-21.8	0	0	0	113.7	H131 G147 R148 K149	H131-D145 IonicContact NE2-OD1 3.76Å; D145-G147 VanDerWaalsContact C-N 3.34Å; D145-G147 PolarHBondContact O-N 3.44Å; D145-R148 PolarHBondContact O-N 3.28Å; D145-K149 WeakPolarHBondContact O-CG 3.44Å; D145-K149 PolarHBondContact O-N 2.93Å
146	F	84.3	Confident	84.5	Confident	169 Å²	169	57.5 Å²	57.5	74%	0.741	32%	0.316	S	S	*	.	H	α-helix	trans	-60	-45.1	176.7	-179.4	-95.3	0	0	0	111.8	G144 R148 K149 T150	G144-F146 VanDerWaalsContact C-N 3.33Å; G144-F146 PolarHBondContact O-N 3.1Å; F146-R148 VanDerWaalsContact C-N 3.35Å; F146-R148 PolarHBondContact O-N 2.68Å; F146-K149 PolarHBondContact O-N 3Å; F146-T150 PolarHBondContact O-N 3.23Å; F146-T150 PolarHBondContact O-OG1 3.41Å; F146-T150 VanDerWaalsContact O-OG1 3.08Å
147	G	84.9	Confident	84.3	Confident	20 Å²	20	57.7 Å²	57.7	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-41.1	178.5	0	0	0	0	0	112.4	G144 D145 T150 F151	G144-G147 WeakPolarHBondContact O-CA 3.35Å; G144-G147 PolarHBondContact O-N 2.99Å; D145-G147 VanDerWaalsContact C-N 3.34Å; D145-G147 PolarHBondContact O-N 3.44Å; G147-T150 PolarHBondContact O-N 3.39Å; G147-F151 VanDerWaalsContact O-CB 3.32Å; G147-F151 WeakPolarHBondContact O-CB 3.24Å; G147-F151 PolarHBondContact O-N 3.31Å
148	R	88.5	Confident	83.9	Confident	55 Å²	55	55.6 Å²	55.6	21%	0.208	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-46.3	175.3	-67.2	177.9	62.9	94	1.1	111.4	H131 M134 M139 L143 G144 D145 F146 T150 F151 I152	H131-R148 PolarHBondContact O-NH2 2.94Å; M134-R148 PolarHBondContact O-NH2 3.38Å; M139-R148 HydrophobicContact SD-CB 4.21Å; M139-R148 HydrophobicContact SD-CG 4Å; L143-R148 HydrophobicContact CB-CG 3.94Å; G144-R148 PolarHBondContact O-N 2.78Å; D145-R148 PolarHBondContact O-N 3.28Å; F146-R148 VanDerWaalsContact C-N 3.35Å; F146-R148 PolarHBondContact O-N 2.68Å; R148-T150 PolarHBondContact O-N 3.29Å; R148-F151 WeakPolarHBondContact O-CB 3.32Å; R148-F151 PolarHBondContact O-N 3.13Å; R148-I152 WeakPolarHBondContact O-CD1 3.4Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 3.29Å
149	K	87.4	Confident	83.4	Confident	59 Å²	59	54.5 Å²	54.5	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-45.5	176.2	-68.6	-179.8	-168.8	-153.9	0	111.7	M128 D129 D145 F146 F151 I152 K153	M128-K149 HydrophobicContact CB-CD 4.21Å; M128-K149 WeakPolarHBondContact O-CE 3.5Å; M128-K149 PolarHBondContact O-NZ 3.36Å; M128-K149 HydrophobicContact SD-CB 3.8Å; M128-K149 HydrophobicContact SD-CD 4.41Å; M128-K149 HydrophobicContact SD-CG 3.93Å; D129-K149 IonicContact OD1-NZ 3.88Å; D145-K149 WeakPolarHBondContact O-CG 3.44Å; D145-K149 PolarHBondContact O-N 2.93Å; F146-K149 PolarHBondContact O-N 3Å; K149-F151 VanDerWaalsContact C-N 3.34Å; K149-F151 PolarHBondContact O-N 3.35Å; K149-I152 PolarHBondContact O-N 3.27Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 2.7Å
150	T	83.5	Confident	83.2	Confident	28 Å²	28	54.5 Å²	54.5	17%	0.172	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-38.3	176.3	-54.9	0	0	0	0	112.2	F146 G147 R148 K153 S154 M634	F146-T150 PolarHBondContact O-N 3.23Å; F146-T150 PolarHBondContact O-OG1 3.41Å; F146-T150 VanDerWaalsContact O-OG1 3.08Å; G147-T150 PolarHBondContact O-N 3.39Å; R148-T150 PolarHBondContact O-N 3.29Å; T150-K153 PolarHBondContact O-N 2.9Å; T150-S154 PolarHBondContact O-N 3.19Å; T150-M634 HydrophobicContact CG2-CE 4.49Å; T150-M634 HydrophobicContact CG2-CG 4.48Å; T150-M634 HydrophobicContact CG2-SD 4.28Å
151	F	86.4	Confident	83.5	Confident	38 Å²	38	57 Å²	57	17%	0.167	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-45.9	176.7	-174.1	-88.3	0	0	0	111.8	I136 F138 M139 L143 G147 R148 K149 K153 S154 L155	I136-F151 HydrophobicContact CD1-CE1 4.47Å; I136-F151 HydrophobicContact CG2-CE1 4.04Å; F138-F151 HydrophobicContact CD2-CE1 4.26Å; F138-F151 AromaticContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CD2-CZ 3.67Å; F138-F151 AromaticContact CE2-CE1 3.99Å; F138-F151 HydrophobicContact CE2-CE1 3.99Å; F138-F151 AromaticContact CE2-CZ 3.72Å; F138-F151 HydrophobicContact CE2-CZ 3.72Å; M139-F151 HydrophobicContact CB-CD1 3.89Å; M139-F151 HydrophobicContact CB-CE1 3.53Å; M139-F151 HydrophobicContact CB-CZ 3.89Å; M139-F151 HydrophobicContact CG-CD1 3.61Å; M139-F151 HydrophobicContact CG-CD2 4.35Å; M139-F151 HydrophobicContact CG-CE1 3.81Å; M139-F151 HydrophobicContact CG-CG 3.91Å; M139-F151 HydrophobicContact CG-CZ 4.25Å; M139-F151 HydrophobicContact SD-CB 4.31Å; M139-F151 HydrophobicContact SD-CD1 3.67Å; M139-F151 HydrophobicContact SD-CE1 4.29Å; M139-F151 HydrophobicContact SD-CG 4.14Å; L143-F151 HydrophobicContact CD1-CB 3.93Å; L143-F151 HydrophobicContact CD1-CD2 4.17Å; L143-F151 HydrophobicContact CD1-CG 4.19Å; G147-F151 VanDerWaalsContact O-CB 3.32Å; G147-F151 WeakPolarHBondContact O-CB 3.24Å; G147-F151 PolarHBondContact O-N 3.31Å; R148-F151 WeakPolarHBondContact O-CB 3.32Å; R148-F151 PolarHBondContact O-N 3.13Å; K149-F151 VanDerWaalsContact C-N 3.34Å; K149-F151 PolarHBondContact O-N 3.35Å; F151-K153 VanDerWaalsContact C-N 3.26Å; F151-K153 PolarHBondContact O-N 3.46Å; F151-S154 PolarHBondContact O-N 3.48Å; F151-S154 PolarHBondContact O-OG 2.97Å; F151-L155 HydrophobicContact CD1-CD2 4.46Å; F151-L155 HydrophobicContact CE1-CD1 4.48Å; F151-L155 HydrophobicContact CE1-CD2 3.92Å; F151-L155 HydrophobicContact CZ-CD2 4.33Å; F151-L155 WeakPolarHBondContact O-CG 3.44Å; F151-L155 PolarHBondContact O-N 2.86Å
152	I	88.3	Confident	84.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-41.4	177	-68.5	155.4	0	0	0	111	L127 M128 H131 M134 I136 R148 K149 S154 L155	L127-I152 HydrophobicContact CD2-CG2 4.49Å; M128-I152 HydrophobicContact CE-CG2 4.46Å; H131-I152 HydrophobicContact CB-CD1 3.65Å; M134-I152 HydrophobicContact CE-CD1 3.38Å; M134-I152 HydrophobicContact CE-CG1 3.91Å; M134-I152 HydrophobicContact CE-CG2 4.05Å; I136-I152 HydrophobicContact CD1-CG1 4.01Å; R148-I152 WeakPolarHBondContact O-CD1 3.4Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 3.29Å; K149-I152 PolarHBondContact O-N 3.27Å; I152-S154 VanDerWaalsContact C-N 3.3Å; I152-S154 PolarHBondContact O-N 3.18Å; I152-L155 WeakPolarHBondContact O-CB 3.28Å; I152-L155 PolarHBondContact O-N 3.33Å
153	K	85.3	Confident	84.5	Confident	79 Å²	79	43.2 Å²	43.2	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-32.4	175.7	-69.4	-177.7	176	-164.2	0	113	E124 M128 K149 T150 F151 L155 F156	E124-K153 WeakPolarHBondContact OE1-CE 3.33Å; E124-K153 IonicContact OE1-NZ 2.77Å; E124-K153 PolarHBondContact OE1-NZ 3.33Å; M128-K153 HydrophobicContact CE-CD 4.17Å; M128-K153 HydrophobicContact CE-CG 3.67Å; M128-K153 HydrophobicContact SD-CG 4.47Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 2.7Å; T150-K153 PolarHBondContact O-N 2.9Å; F151-K153 VanDerWaalsContact C-N 3.26Å; F151-K153 PolarHBondContact O-N 3.46Å; K153-L155 PolarHBondContact O-N 2.86Å; K153-F156 PolarHBondContact O-N 3.27Å
154	S	83.3	Confident	84.9	Confident	15 Å²	15	41.3 Å²	41.3	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-72.1	-10.5	179.1	74.8	0	0	0	0	114.2	T150 F151 I152 F156 R645	T150-S154 PolarHBondContact O-N 3.19Å; F151-S154 PolarHBondContact O-N 3.48Å; F151-S154 PolarHBondContact O-OG 2.97Å; I152-S154 VanDerWaalsContact C-N 3.3Å; I152-S154 PolarHBondContact O-N 3.18Å; S154-F156 VanDerWaalsContact C-N 3.26Å; S154-F156 PolarHBondContact O-N 3.43Å; S154-R645 PolarHBondContact O-NH2 3.28Å
155	L	86.3	Confident	85.2	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.2	178.1	-59.1	175.3	0	0	0	112.4	I136 F138 F151 I152 K153 V195 R645	I136-L155 HydrophobicContact CD1-CD1 3.6Å; F138-L155 HydrophobicContact CE2-CD2 3.6Å; F138-L155 HydrophobicContact CZ-CD2 3.87Å; F151-L155 HydrophobicContact CD1-CD2 4.46Å; F151-L155 HydrophobicContact CE1-CD1 4.48Å; F151-L155 HydrophobicContact CE1-CD2 3.92Å; F151-L155 HydrophobicContact CZ-CD2 4.33Å; F151-L155 WeakPolarHBondContact O-CG 3.44Å; F151-L155 PolarHBondContact O-N 2.86Å; I152-L155 WeakPolarHBondContact O-CB 3.28Å; I152-L155 PolarHBondContact O-N 3.33Å; K153-L155 PolarHBondContact O-N 2.86Å; L155-V195 HydrophobicContact CD1-CG2 4.28Å; L155-R645 VanDerWaalsContact CA-NH2 3.27Å; L155-R645 PolarHBondContact O-NH2 3.38Å
156	F	87.5	Confident	85.6	Confident	5 Å²	5	39 Å²	39	2%	0.022	19%	0.189	C	C	.	.	S	Bend	trans	-119.8	155.6	-173.4	-50.5	-72.4	0	0	0	111.3	L60 Y62 K153 S154 A158 V163 L164 L167 V195	L60-F156 HydrophobicContact CD2-CE1 4.37Å; L60-F156 HydrophobicContact CD2-CZ 3.95Å; Y62-F156 AromaticContact CD1-CD1 3.8Å; Y62-F156 HydrophobicContact CD1-CD1 3.8Å; Y62-F156 AromaticContact CD1-CE1 3.76Å; Y62-F156 HydrophobicContact CD1-CE1 3.76Å; Y62-F156 AromaticContact CD2-CD1 3.64Å; Y62-F156 HydrophobicContact CD2-CD1 3.64Å; Y62-F156 HydrophobicContact CD2-CE1 4.22Å; Y62-F156 HydrophobicContact CE1-CD1 4.06Å; Y62-F156 HydrophobicContact CE1-CE1 4.36Å; Y62-F156 AromaticContact CE2-CD1 3.89Å; Y62-F156 HydrophobicContact CE2-CD1 3.89Å; Y62-F156 AromaticContact CG-CD1 3.59Å; Y62-F156 HydrophobicContact CG-CD1 3.59Å; Y62-F156 AromaticContact CG-CE1 3.69Å; Y62-F156 HydrophobicContact CG-CE1 3.69Å; K153-F156 PolarHBondContact O-N 3.27Å; S154-F156 VanDerWaalsContact C-N 3.26Å; S154-F156 PolarHBondContact O-N 3.43Å; F156-A158 PolarHBondContact O-N 3.11Å; F156-V163 HydrophobicContact CD1-CG1 3.66Å; F156-V163 HydrophobicContact CE1-CG1 3.88Å; F156-V163 HydrophobicContact CG-CG1 4.04Å; F156-V163 HydrophobicContact CZ-CG1 4.45Å; F156-L164 HydrophobicContact CD2-CD2 3.64Å; F156-L164 HydrophobicContact CE2-CD2 3.98Å; F156-L167 HydrophobicContact CE2-CD2 3.88Å; F156-L167 HydrophobicContact CZ-CD2 3.93Å; F156-V195 HydrophobicContact CE1-CG1 3.93Å; F156-V195 HydrophobicContact CZ-CG1 4.46Å
157	P	78.1	Confident	86.1	Confident	12 Å²	12	31 Å²	31	8%	0.078	15%	0.154	C	C	.	.			trans	-57.2	141.5	175.4	-19.3	28.4	0	0	0	111.1	Y62 P64 N159 S160 F205 D207 V642	Y62-P157 HydrophobicContact CE2-CG 4.22Å; P64-P157 HydrophobicContact CB-CG 4.41Å; P64-P157 HydrophobicContact CG-CG 4.05Å; P157-N159 PolarHBondContact O-N 2.73Å; P157-S160 WeakPolarHBondContact O-CB 3.36Å; P157-S160 PolarHBondContact O-N 2.51Å; P157-S160 VanDerWaalsContact O-N 3.12Å; P157-S160 PolarHBondContact O-OG 2.95Å; P157-F205 HydrophobicContact CG-CZ 4.15Å; P157-D207 HydrophobicContact CB-CB 4.42Å; P157-V642 HydrophobicContact CG-CG1 4.15Å
158	A	72	Confident	86.5	Confident	36 Å²	36	30.1 Å²	30.1	30%	0.298	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	139.7	174.4	0	0	0	0	0	110.3	F156	F156-A158 PolarHBondContact O-N 3.11Å
159	N	72.2	Confident	86.6	Confident	57 Å²	57	27.5 Å²	27.5	31%	0.305	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	4.5	-174.6	-55	-75.1	0	0	0	117.8	P157 K161 K208	P157-N159 PolarHBondContact O-N 2.73Å; N159-K161 PolarHBondContact O-N 3.47Å; N159-K208 HydrophobicContact CB-CD 3.93Å
160	S	82.6	Confident	86.8	Confident	11 Å²	11	24.7 Å²	24.7	8%	0.077	12%	0.122	C	C	.	.			trans	-79.1	65.9	176	-51.7	0	0	0	0	112.3	D65 P157 L164	D65-S160 VanDerWaalsContact CG-CA 3.49Å; D65-S160 VanDerWaalsContact OD1-C 3.28Å; D65-S160 WeakPolarHBondContact OD1-CA 3.46Å; P157-S160 WeakPolarHBondContact O-CB 3.36Å; P157-S160 PolarHBondContact O-N 2.51Å; P157-S160 VanDerWaalsContact O-N 3.12Å; P157-S160 PolarHBondContact O-OG 2.95Å; S160-L164 PolarHBondContact O-N 3.09Å
161	K	87.9	Confident	87.2	Confident	112 Å²	112	23.3 Å²	23.3	49%	0.487	11%	0.114	S	C	.	.	H	α-helix	trans	-70.6	-36.1	-175.1	-66.2	-174.5	179.7	-175.6	0	112.1	D65 N159 V163 L164 R165	D65-K161 PolarHBondContact OD2-N 2.93Å; N159-K161 PolarHBondContact O-N 3.47Å; K161-V163 VanDerWaalsContact C-N 3.35Å; K161-L164 PolarHBondContact O-N 3.48Å; K161-R165 VanDerWaalsContact O-CG 3.3Å; K161-R165 WeakPolarHBondContact O-CG 3.35Å; K161-R165 PolarHBondContact O-N 3.15Å
162	L	90.5	Very high	87.3	Confident	10 Å²	10	23.3 Å²	23.3	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-69	-35.6	178.8	-55.6	179.6	0	0	0	111.2	C42 A44 K47 D65 R165 A166	C42-L162 HydrophobicContact CB-CB 4.29Å; A44-L162 HydrophobicContact CB-CD2 3.84Å; K47-L162 HydrophobicContact CB-CD1 3.66Å; K47-L162 WeakPolarHBondContact O-CD1 3.32Å; D65-L162 VanDerWaalsContact CG-N 3.3Å; D65-L162 WeakPolarHBondContact OD1-CA 3.22Å; D65-L162 VanDerWaalsContact OD1-CB 3.3Å; D65-L162 WeakPolarHBondContact OD1-CB 3.43Å; D65-L162 PolarHBondContact OD1-N 3Å; D65-L162 WeakPolarHBondContact OD2-CG 3.47Å; D65-L162 PolarHBondContact OD2-N 2.83Å; L162-R165 PolarHBondContact O-N 3.5Å; L162-A166 WeakPolarHBondContact O-CB 3.23Å; L162-A166 PolarHBondContact O-N 3.05Å
163	V	91.2	Very high	87.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-47.1	170.7	175.3	0	0	0	0	111.6	V51 Y62 M63 D65 F156 K161 R165 A166 L167	V51-V163 HydrophobicContact CG2-CG1 3.83Å; Y62-V163 HydrophobicContact CD2-CG1 4.12Å; Y62-V163 HydrophobicContact CD2-CG2 4.4Å; Y62-V163 HydrophobicContact CG-CG1 4.34Å; M63-V163 WeakPolarHBondContact O-CG2 3.43Å; D65-V163 PolarHBondContact OD1-N 2.83Å; F156-V163 HydrophobicContact CD1-CG1 3.66Å; F156-V163 HydrophobicContact CE1-CG1 3.88Å; F156-V163 HydrophobicContact CG-CG1 4.04Å; F156-V163 HydrophobicContact CZ-CG1 4.45Å; K161-V163 VanDerWaalsContact C-N 3.35Å; V163-R165 VanDerWaalsContact C-N 3.3Å; V163-R165 PolarHBondContact O-N 2.85Å; V163-A166 PolarHBondContact O-N 3.22Å; V163-L167 WeakPolarHBondContact O-CB 3.39Å; V163-L167 PolarHBondContact O-N 2.93Å
164	L	92.2	Very high	87.1	Confident	15 Å²	15	21.3 Å²	21.3	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-39	176.9	-67.2	176.2	0	0	0	111.8	E124 L127 F156 S160 K161 L167 S168	E124-L164 HydrophobicContact CG-CD1 4.22Å; L127-L164 HydrophobicContact CD2-CB 4.15Å; L127-L164 HydrophobicContact CD2-CD2 3.93Å; L127-L164 WeakPolarHBondContact CD2-O 3.24Å; F156-L164 HydrophobicContact CD2-CD2 3.64Å; F156-L164 HydrophobicContact CE2-CD2 3.98Å; S160-L164 PolarHBondContact O-N 3.09Å; K161-L164 PolarHBondContact O-N 3.48Å; L164-L167 PolarHBondContact O-N 2.99Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 2.84Å
165	R	93.4	Very high	86.9	Confident	93 Å²	93	22 Å²	22	35%	0.351	11%	0.108	S	C	.	.	H	α-helix	trans	-68.3	-38	175	-68.7	175.2	-177.2	-177.5	-4	112.5	C42 Y122 K161 L162 V163 S168 G169	C42-R165 HydrophobicContact CB-CB 4.4Å; Y122-R165 HydrophobicContact CD1-CB 4.39Å; Y122-R165 VanDerWaalsContact CD1-O 3.29Å; Y122-R165 WeakPolarHBondContact CD1-O 3.27Å; Y122-R165 WeakPolarHBondContact O-CD 3.39Å; Y122-R165 VanDerWaalsContact O-CG 3.26Å; Y122-R165 WeakPolarHBondContact O-CG 3.19Å; K161-R165 VanDerWaalsContact O-CG 3.3Å; K161-R165 WeakPolarHBondContact O-CG 3.35Å; K161-R165 PolarHBondContact O-N 3.15Å; L162-R165 PolarHBondContact O-N 3.5Å; V163-R165 VanDerWaalsContact C-N 3.3Å; V163-R165 PolarHBondContact O-N 2.85Å; R165-S168 VanDerWaalsContact O-CB 3.22Å; R165-S168 WeakPolarHBondContact O-CB 3.05Å; R165-S168 PolarHBondContact O-N 2.59Å; R165-G169 PolarHBondContact O-N 3.47Å
166	A	92.9	Very high	86.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-44.4	173.8	0	0	0	0	0	111	S40 C42 V51 L162 V163 S168 G169 L170	S40-A166 WeakPolarHBondContact CB-O 3.33Å; S40-A166 VanDerWaalsContact OG-C 3.29Å; S40-A166 WeakPolarHBondContact OG-CA 3.37Å; S40-A166 PolarHBondContact OG-O 3.38Å; C42-A166 HydrophobicContact CB-CB 4.17Å; V51-A166 HydrophobicContact CB-CB 4.39Å; V51-A166 HydrophobicContact CG2-CB 4.05Å; L162-A166 WeakPolarHBondContact O-CB 3.23Å; L162-A166 PolarHBondContact O-N 3.05Å; V163-A166 PolarHBondContact O-N 3.22Å; A166-S168 PolarHBondContact O-N 2.97Å; A166-G169 PolarHBondContact O-N 3.39Å; A166-G169 VanDerWaalsContact O-N 3.13Å; A166-L170 PolarHBondContact O-N 2.98Å
167	L	93.7	Very high	85.2	Confident	3 Å²	3	30 Å²	30	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-39.8	172.4	-177.1	59.1	0	0	0	111.4	V51 L60 L127 M134 F156 V163 L164 L170 L171 L190	V51-L167 HydrophobicContact CG1-CD1 4.24Å; V51-L167 HydrophobicContact CG2-CB 4.14Å; L60-L167 HydrophobicContact CD1-CD1 4.24Å; L60-L167 HydrophobicContact CD2-CD1 3.95Å; L127-L167 HydrophobicContact CD1-CD2 4.05Å; L127-L167 HydrophobicContact CD1-CG 3.92Å; L127-L167 HydrophobicContact CD2-CB 4.39Å; L127-L167 HydrophobicContact CD2-CD2 4.03Å; L127-L167 HydrophobicContact CD2-CG 4.35Å; M134-L167 HydrophobicContact SD-CD2 4.4Å; F156-L167 HydrophobicContact CE2-CD2 3.88Å; F156-L167 HydrophobicContact CZ-CD2 3.93Å; V163-L167 WeakPolarHBondContact O-CB 3.39Å; V163-L167 PolarHBondContact O-N 2.93Å; L164-L167 PolarHBondContact O-N 2.99Å; L167-L170 HydrophobicContact CD1-CD2 4.33Å; L167-L170 PolarHBondContact O-N 3.31Å; L167-L171 WeakPolarHBondContact O-CB 3.14Å; L167-L171 PolarHBondContact O-N 3.42Å; L167-L190 HydrophobicContact CD1-CD2 4.18Å
168	S	93.2	Very high	84.2	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-45.3	174.2	-166	0	0	0	0	112.7	Y121 S123 F126 L127 L164 R165 A166 L170 L171 Y172	Y121-S168 CarbonylContact O-C 3.41Å; Y121-S168 VanDerWaalsContact O-CB 3.23Å; Y121-S168 WeakPolarHBondContact O-CB 3.5Å; Y121-S168 PolarHBondContact O-OG 3.09Å; S123-S168 WeakPolarHBondContact O-CB 3.43Å; S123-S168 PolarHBondContact O-OG 2.79Å; F126-S168 WeakPolarHBondContact CD1-OG 3.35Å; L127-S168 PolarHBondContact N-OG 2.9Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 2.84Å; R165-S168 VanDerWaalsContact O-CB 3.22Å; R165-S168 WeakPolarHBondContact O-CB 3.05Å; R165-S168 PolarHBondContact O-N 2.59Å; A166-S168 PolarHBondContact O-N 2.97Å; S168-L170 PolarHBondContact O-N 3.13Å; S168-L171 PolarHBondContact O-N 2.86Å; S168-Y172 PolarHBondContact O-N 3.08Å
169	G	91.5	Very high	83.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-40.2	175.4	0	0	0	0	0	113.3	Y122 R165 A166 R173	Y122-G169 VanDerWaalsContact CE2-CA 3.49Å; R165-G169 PolarHBondContact O-N 3.47Å; A166-G169 PolarHBondContact O-N 3.39Å; A166-G169 VanDerWaalsContact O-N 3.13Å; G169-R173 PolarHBondContact O-N 3.4Å; G169-R173 VanDerWaalsContact O-N 3.12Å
170	L	91.4	Very high	82	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-47.2	173.1	176	66.5	0	0	0	111.1	Y38 V51 W53 L60 L88 A166 L167 S168 Y172 R173 L174	Y38-L170 HydrophobicContact CG-CD1 4.37Å; V51-L170 HydrophobicContact CG1-CD2 3.99Å; W53-L170 HydrophobicContact CB-CD1 4.34Å; W53-L170 HydrophobicContact CB-CD2 3.5Å; W53-L170 VanDerWaalsContact CB-CD2 3.5Å; W53-L170 HydrophobicContact CE3-CD1 4.37Å; W53-L170 HydrophobicContact CG-CD2 4.12Å; L60-L170 HydrophobicContact CD1-CD2 4.02Å; L88-L170 HydrophobicContact CD1-CB 4.34Å; L88-L170 HydrophobicContact CD1-CD1 3.92Å; A166-L170 PolarHBondContact O-N 2.98Å; L167-L170 HydrophobicContact CD1-CD2 4.33Å; L167-L170 PolarHBondContact O-N 3.31Å; S168-L170 PolarHBondContact O-N 3.13Å; L170-Y172 VanDerWaalsContact C-N 3.33Å; L170-Y172 PolarHBondContact O-N 3.42Å; L170-R173 WeakPolarHBondContact O-CB 3.41Å; L170-R173 PolarHBondContact O-N 2.96Å; L170-R173 VanDerWaalsContact O-N 3.16Å; L170-L174 HydrophobicContact CD1-CD1 4.13Å; L170-L174 HydrophobicContact CD1-CG 4.24Å; L170-L174 HydrophobicContact CG-CD1 4.1Å; L170-L174 WeakPolarHBondContact O-CG 3.37Å; L170-L174 PolarHBondContact O-N 3.25Å
171	L	90.4	Very high	79.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-47.4	-179.9	-168.6	65	0	0	0	111	L127 V133 M134 L167 S168 R173 L174 T175 L190	L127-L171 HydrophobicContact CD1-CD2 3.87Å; V133-L171 HydrophobicContact CG2-CD1 3.48Å; V133-L171 VanDerWaalsContact CG2-CD1 3.48Å; V133-L171 HydrophobicContact CG2-CD2 4.2Å; V133-L171 HydrophobicContact CG2-CG 4.01Å; M134-L171 HydrophobicContact CG-CD1 3.5Å; M134-L171 VanDerWaalsContact CG-CD1 3.5Å; M134-L171 HydrophobicContact CG-CD2 4.19Å; M134-L171 HydrophobicContact SD-CD1 4.05Å; M134-L171 HydrophobicContact SD-CD2 4.21Å; L167-L171 WeakPolarHBondContact O-CB 3.14Å; L167-L171 PolarHBondContact O-N 3.42Å; S168-L171 PolarHBondContact O-N 2.86Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.03Å; L171-L174 PolarHBondContact O-N 3.25Å; L171-T175 WeakPolarHBondContact O-CG2 3.39Å; L171-T175 PolarHBondContact O-N 3.05Å; L171-T175 PolarHBondContact O-OG1 3.29Å; L171-L190 HydrophobicContact CD1-CB 4.18Å; L171-L190 HydrophobicContact CD1-CD2 4.07Å
172	Y	89.6	Confident	77.5	Confident	38 Å²	38	47.6 Å²	47.6	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-44.2	176.3	174.5	-102.3	0	0	0	112.4	I117 Y121 F126 S168 L170 L174 T175 R176	I117-Y172 HydrophobicContact CD1-CD1 4.19Å; I117-Y172 HydrophobicContact CD1-CE1 4.34Å; I117-Y172 HydrophobicContact CG2-CD1 3.65Å; I117-Y172 HydrophobicContact CG2-CE1 4.08Å; Y121-Y172 AromaticContact CD1-CD2 3.39Å; Y121-Y172 HydrophobicContact CD1-CD2 3.39Å; Y121-Y172 AromaticContact CD1-CE2 3.69Å; Y121-Y172 HydrophobicContact CD1-CE2 3.69Å; Y121-Y172 AromaticContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD2-CD1 4.12Å; Y121-Y172 HydrophobicContact CD2-CD2 4Å; Y121-Y172 AromaticContact CD2-CE1 3.9Å; Y121-Y172 HydrophobicContact CD2-CE1 3.9Å; Y121-Y172 AromaticContact CD2-CE2 3.79Å; Y121-Y172 HydrophobicContact CD2-CE2 3.79Å; Y121-Y172 HydrophobicContact CD2-CG 4.16Å; Y121-Y172 AromaticContact CD2-CZ 3.73Å; Y121-Y172 AromaticContact CE1-CD2 3.63Å; Y121-Y172 HydrophobicContact CE1-CD2 3.63Å; Y121-Y172 AromaticContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE1-CE2 3.46Å; Y121-Y172 VanDerWaalsContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE2-CD2 4.21Å; Y121-Y172 HydrophobicContact CE2-CE1 4.14Å; Y121-Y172 AromaticContact CE2-CE2 3.57Å; Y121-Y172 HydrophobicContact CE2-CE2 3.57Å; Y121-Y172 AromaticContact CE2-CZ 3.52Å; Y121-Y172 HydrophobicContact CG-CD1 4.12Å; Y121-Y172 AromaticContact CG-CD2 3.59Å; Y121-Y172 HydrophobicContact CG-CD2 3.59Å; Y121-Y172 HydrophobicContact CG-CE1 4.32Å; Y121-Y172 AromaticContact CG-CE2 3.84Å; Y121-Y172 HydrophobicContact CG-CE2 3.84Å; Y121-Y172 AromaticContact CG-CG 3.74Å; Y121-Y172 HydrophobicContact CG-CG 3.74Å; Y121-Y172 AromaticContact CZ-CE2 3.39Å; Y121-Y172 AromaticContact CZ-CZ 3.82Å; F126-Y172 HydrophobicContact CE1-CD2 4.35Å; F126-Y172 AromaticContact CZ-CD2 3.9Å; F126-Y172 HydrophobicContact CZ-CD2 3.9Å; S168-Y172 PolarHBondContact O-N 3.08Å; L170-Y172 VanDerWaalsContact C-N 3.33Å; L170-Y172 PolarHBondContact O-N 3.42Å; Y172-L174 VanDerWaalsContact C-N 3.31Å; Y172-L174 PolarHBondContact O-N 3.28Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.21Å; Y172-T175 PolarHBondContact O-N 3.3Å; Y172-T175 PolarHBondContact O-OG1 3Å; Y172-R176 PolarHBondContact O-N 3.33Å
173	R	86.5	Confident	74.9	Confident	24 Å²	24	50.6 Å²	50.6	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-41.3	178.7	174.2	64	-178.6	93.1	-12.4	112.3	L88 E115 G169 L170 L171 N177	L88-R173 HydrophobicContact CD1-CB 3.61Å; L88-R173 HydrophobicContact CD1-CG 3.8Å; L88-R173 HydrophobicContact CD2-CB 4.21Å; L88-R173 HydrophobicContact CD2-CG 3.73Å; L88-R173 HydrophobicContact CG-CG 4.43Å; E115-R173 IonicContact OE1-CZ 3.03Å; E115-R173 IonicContact OE1-NE 3.25Å; E115-R173 PolarHBondContact OE1-NE 3.35Å; E115-R173 VanDerWaalsContact OE1-NE 3.1Å; E115-R173 IonicContact OE1-NH2 2.73Å; E115-R173 PolarHBondContact OE1-NH2 2.75Å; E115-R173 WeakPolarHBondContact OE2-CD 3.48Å; E115-R173 IonicContact OE2-CZ 3.07Å; E115-R173 IonicContact OE2-NE 3.35Å; E115-R173 PolarHBondContact OE2-NE 3.01Å; E115-R173 IonicContact OE2-NH2 3.91Å; G169-R173 PolarHBondContact O-N 3.4Å; G169-R173 VanDerWaalsContact O-N 3.12Å; L170-R173 WeakPolarHBondContact O-CB 3.41Å; L170-R173 PolarHBondContact O-N 2.96Å; L170-R173 VanDerWaalsContact O-N 3.16Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.03Å; R173-N177 PolarHBondContact NH1-ND2 3.24Å; R173-N177 PolarHBondContact NH1-OD1 2.98Å
174	L	82.9	Confident	72.3	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-74.5	-37.1	-179.6	-61	176	0	0	0	111.5	W53 L170 L171 Y172 N177 A178 I189 L190	W53-L174 HydrophobicContact CD2-CD1 4.36Å; W53-L174 HydrophobicContact CE3-CD1 3.93Å; W53-L174 HydrophobicContact CE3-CD2 4.07Å; W53-L174 HydrophobicContact CH2-CD1 4.07Å; W53-L174 HydrophobicContact CH2-CD2 4.05Å; W53-L174 HydrophobicContact CZ2-CD1 4.47Å; W53-L174 HydrophobicContact CZ3-CD1 3.78Å; W53-L174 HydrophobicContact CZ3-CD2 3.41Å; W53-L174 VanDerWaalsContact CZ3-CD2 3.41Å; W53-L174 HydrophobicContact CZ3-CG 4.25Å; L170-L174 HydrophobicContact CD1-CD1 4.13Å; L170-L174 HydrophobicContact CD1-CG 4.24Å; L170-L174 HydrophobicContact CG-CD1 4.1Å; L170-L174 WeakPolarHBondContact O-CG 3.37Å; L170-L174 PolarHBondContact O-N 3.25Å; L171-L174 PolarHBondContact O-N 3.25Å; Y172-L174 VanDerWaalsContact C-N 3.31Å; Y172-L174 PolarHBondContact O-N 3.28Å; L174-N177 PolarHBondContact O-N 2.79Å; L174-A178 PolarHBondContact O-N 2.8Å; L174-I189 HydrophobicContact CB-CG2 3.59Å; L174-I189 WeakPolarHBondContact O-CG2 3.23Å; L174-L190 HydrophobicContact CD1-CB 4.19Å; L174-L190 HydrophobicContact CD1-CD1 3.69Å; L174-L190 HydrophobicContact CD1-CG 4.36Å
175	T	78.9	Confident	70	Confident	29 Å²	29	63.4 Å²	63.4	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-36	175.4	53.9	0	0	0	0	112.3	V133 L171 Y172 N177 A178 I189	V133-T175 HydrophobicContact CG2-CG2 3.81Å; L171-T175 WeakPolarHBondContact O-CG2 3.39Å; L171-T175 PolarHBondContact O-N 3.05Å; L171-T175 PolarHBondContact O-OG1 3.29Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.21Å; Y172-T175 PolarHBondContact O-N 3.3Å; Y172-T175 PolarHBondContact O-OG1 3Å; T175-N177 VanDerWaalsContact C-N 3.3Å; T175-N177 PolarHBondContact O-N 2.85Å; T175-A178 WeakPolarHBondContact O-CB 3.39Å; T175-A178 PolarHBondContact O-N 3.47Å; T175-I189 HydrophobicContact CG2-CD1 3.91Å
176	R	76.9	Confident	67.5	Low	122 Å²	122	66.2 Å²	66.2	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-35.1	178.5	-159.3	-177.7	96.5	179	5	112.7	Y172 A178 D179	Y172-R176 PolarHBondContact O-N 3.33Å; R176-A178 VanDerWaalsContact C-N 3.26Å; R176-A178 PolarHBondContact O-N 2.64Å; R176-D179 PolarHBondContact O-N 2.81Å
177	N	61.9	Low	65.5	Low	54 Å²	54	72 Å²	72	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-70.6	-24.4	174.5	-89.4	7.3	0	0	0	112.9	R173 L174 T175 D179 D180 L181	R173-N177 PolarHBondContact NH1-ND2 3.24Å; R173-N177 PolarHBondContact NH1-OD1 2.98Å; L174-N177 PolarHBondContact O-N 2.79Å; T175-N177 VanDerWaalsContact C-N 3.3Å; T175-N177 PolarHBondContact O-N 2.85Å; N177-D179 PolarHBondContact O-N 3.47Å; N177-D180 PolarHBondContact O-N 3.45Å; N177-L181 PolarHBondContact O-N 3.12Å; N177-L181 VanDerWaalsContact O-N 3.12Å
178	A	55.8	Low	63.8	Low	13 Å²	13	75.8 Å²	75.8	11%	0.107	39%	0.386	C	S	.	.	H	α-helix	trans	-75.4	-12.7	178.2	0	0	0	0	0	112.8	L174 T175 R176 L181 I189	L174-A178 PolarHBondContact O-N 2.8Å; T175-A178 WeakPolarHBondContact O-CB 3.39Å; T175-A178 PolarHBondContact O-N 3.47Å; R176-A178 VanDerWaalsContact C-N 3.26Å; R176-A178 PolarHBondContact O-N 2.64Å; A178-L181 CarbonylContact C-O 3.39Å; A178-I189 HydrophobicContact CB-CD1 3.63Å; A178-I189 HydrophobicContact CB-CG1 4.09Å
179	D	50.8	Low	62.6	Low	144 Å²	144	78.1 Å²	78.1	77%	0.77	40%	0.398	S	S	*	.	H	α-helix	trans	-82.9	-25.3	168.5	-70.3	-31	0	0	0	111.8	R176 N177	R176-D179 PolarHBondContact O-N 2.81Å; N177-D179 PolarHBondContact O-N 3.47Å
180	D	46.9	Very low	61.9	Low	134 Å²	134	78.1 Å²	78.1	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-85.2	-27	177.2	-80.8	-26.2	0	0	0	113.2	N177	N177-D180 PolarHBondContact O-N 3.45Å
181	L	39.4	Very low	61.4	Low	106 Å²	106	81 Å²	81	56%	0.555	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	129.2	165.8	-86.9	85.8	0	0	0	107.7	N177 A178 L183	N177-L181 PolarHBondContact O-N 3.12Å; N177-L181 VanDerWaalsContact O-N 3.12Å; A178-L181 CarbonylContact C-O 3.39Å; L181-L183 HydrophobicContact CB-CD1 3.84Å; L181-L183 HydrophobicContact CB-CG 4.1Å; L181-L183 HydrophobicContact CD2-CD1 4.24Å; L181-L183 PolarHBondContact O-N 3.3Å
182	H	37.1	Very low	61	Low	201 Å²	201	81.2 Å²	81.2	93%	0.931	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	52.8	173.3	-75.2	-68.4	0	0	0	114.3	T184	H182-T184 PolarHBondContact O-N 2.7Å; H182-T184 VanDerWaalsContact O-N 3.14Å
183	L	37.3	Very low	60.6	Low	72 Å²	72	82.1 Å²	82.1	38%	0.377	42%	0.424	S	S	.	.			trans	-79.7	97.3	174.3	-77.1	160.5	0	0	0	106.7	L181 L185 Q187	L181-L183 HydrophobicContact CB-CD1 3.84Å; L181-L183 HydrophobicContact CB-CG 4.1Å; L181-L183 HydrophobicContact CD2-CD1 4.24Å; L181-L183 PolarHBondContact O-N 3.3Å; L183-L185 PolarHBondContact O-N 3.07Å; L183-Q187 HydrophobicContact CD2-CB 4.32Å; L183-Q187 HydrophobicContact CD2-CG 4.48Å
184	T	36.1	Very low	60.4	Low	101 Å²	101	83.5 Å²	83.5	62%	0.62	43%	0.433	S	S	*	.			trans	-38.3	132	163	43.6	0	0	0	0	110	H182 N186 Q187	H182-T184 PolarHBondContact O-N 2.7Å; H182-T184 VanDerWaalsContact O-N 3.14Å; T184-N186 PolarHBondContact O-N 2.97Å; T184-Q187 PolarHBondContact O-N 2.72Å
185	L	42.8	Very low	60.6	Low	184 Å²	184	82.9 Å²	82.9	96%	0.963	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	6.3	179	-82.1	143.2	0	0	0	118	L183	L183-L185 PolarHBondContact O-N 3.07Å
186	N	42.2	Very low	60.8	Low	151 Å²	151	84.4 Å²	84.4	81%	0.807	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	4.7	-178.1	-74.3	-16.3	0	0	0	114.8	T184	T184-N186 PolarHBondContact O-N 2.97Å
187	Q	50.6	Low	61	Low	122 Å²	122	79.5 Å²	79.5	57%	0.57	42%	0.417	S	S	*	.	S	Bend	trans	-103.3	127.1	173.2	-68.2	-168.1	2	0	0	110.9	L183 T184 I189	L183-Q187 HydrophobicContact CD2-CB 4.32Å; L183-Q187 HydrophobicContact CD2-CG 4.48Å; T184-Q187 PolarHBondContact O-N 2.72Å; Q187-I189 PolarHBondContact O-N 3.15Å
188	N	57.6	Low	61.7	Low	82 Å²	82	78.2 Å²	78.2	44%	0.439	41%	0.41	S	S	.	.			trans	-63.5	126.2	176.3	-61	-43.3	0	0	0	109.1	S135 D191	S135-N188 VanDerWaalsContact CB-CG 3.43Å; S135-N188 VanDerWaalsContact CB-ND2 3.31Å; S135-N188 WeakPolarHBondContact CB-ND2 3.32Å; S135-N188 PolarHBondContact OG-ND2 3.37Å; N188-D191 VanDerWaalsContact CB-OD1 3.31Å; N188-D191 WeakPolarHBondContact CB-OD1 3.33Å
189	I	68.1	Low	62.2	Low	50 Å²	50	80.8 Å²	80.8	26%	0.256	42%	0.42	S	S	.	.	S	Bend	trans	-84.7	-34.1	-172.6	-64.7	169.6	0	0	0	110.4	V133 L174 T175 A178 Q187	V133-I189 HydrophobicContact CB-CB 4.38Å; V133-I189 HydrophobicContact CB-CD1 4.16Å; V133-I189 HydrophobicContact CB-CG1 4.49Å; V133-I189 HydrophobicContact CG1-CD1 4.27Å; V133-I189 PolarHBondContact O-N 3.47Å; V133-I189 VanDerWaalsContact O-N 3.14Å; L174-I189 HydrophobicContact CB-CG2 3.59Å; L174-I189 WeakPolarHBondContact O-CG2 3.23Å; T175-I189 HydrophobicContact CG2-CD1 3.91Å; A178-I189 HydrophobicContact CB-CD1 3.63Å; A178-I189 HydrophobicContact CB-CG1 4.09Å; Q187-I189 PolarHBondContact O-N 3.15Å
190	L	76.8	Confident	62.9	Low	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	99	176.3	-179.9	61.5	0	0	0	109.5	W53 V133 M134 S135 L167 L171 L174 I192	W53-L190 HydrophobicContact CD2-CD1 3.89Å; W53-L190 VanDerWaalsContact CE2-CD1 3.45Å; W53-L190 HydrophobicContact CG-CD1 4.04Å; W53-L190 HydrophobicContact CZ2-CD1 3.92Å; W53-L190 VanDerWaalsContact NE1-CD1 3.32Å; V133-L190 PolarHBondContact O-N 3.1Å; M134-L190 HydrophobicContact CG-CB 4.32Å; M134-L190 HydrophobicContact CG-CD2 4.03Å; M134-L190 HydrophobicContact SD-CD2 3.96Å; S135-L190 PolarHBondContact N-O 3.13Å; L167-L190 HydrophobicContact CD1-CD2 4.18Å; L171-L190 HydrophobicContact CD1-CB 4.18Å; L171-L190 HydrophobicContact CD1-CD2 4.07Å; L174-L190 HydrophobicContact CD1-CB 4.19Å; L174-L190 HydrophobicContact CD1-CD1 3.69Å; L174-L190 HydrophobicContact CD1-CG 4.36Å; L190-I192 HydrophobicContact CD1-CG1 4.25Å; L190-I192 HydrophobicContact CD2-CD1 3.95Å; L190-I192 HydrophobicContact CD2-CG1 4.37Å; L190-I192 HydrophobicContact CG-CD1 4.05Å; L190-I192 HydrophobicContact CG-CG1 3.94Å
191	D	79.9	Confident	63.8	Low	59 Å²	59	75.1 Å²	75.1	32%	0.316	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.1	171.4	-75.8	-35.2	0	0	0	109.8	H58 S135 N188	H58-D191 WeakPolarHBondContact CB-O 3.33Å; H58-D191 WeakPolarHBondContact ND1-CB 3.37Å; H58-D191 PolarHBondContact ND1-O 3.32Å; H58-D191 VanDerWaalsContact ND1-O 3.12Å; S135-D191 WeakPolarHBondContact CB-OD1 3.33Å; S135-D191 PolarHBondContact OG-OD1 3.32Å; N188-D191 VanDerWaalsContact CB-OD1 3.31Å; N188-D191 WeakPolarHBondContact CB-OD1 3.33Å
192	I	82.8	Confident	65.4	Low	5 Å²	5	75.3 Å²	75.3	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.9	179	-59.8	168.7	0	0	0	108.7	H58 L60 S135 I136 S137 L190 D194 V195	H58-I192 WeakPolarHBondContact O-CA 3.49Å; L60-I192 HydrophobicContact CB-CG1 4.44Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 3.99Å; S135-I192 PolarHBondContact O-N 3.21Å; I136-I192 WeakPolarHBondContact CA-O 3.35Å; I136-I192 HydrophobicContact CG1-CB 4.33Å; I136-I192 HydrophobicContact CG1-CD1 4.26Å; S137-I192 PolarHBondContact N-O 3.09Å; S137-I192 PolarHBondContact OG-O 2.85Å; L190-I192 HydrophobicContact CD1-CG1 4.25Å; L190-I192 HydrophobicContact CD2-CD1 3.95Å; L190-I192 HydrophobicContact CD2-CG1 4.37Å; L190-I192 HydrophobicContact CG-CD1 4.05Å; L190-I192 HydrophobicContact CG-CG1 3.94Å; I192-D194 WeakPolarHBondContact CG2-O 3.49Å; I192-V195 HydrophobicContact CG2-CG2 3.64Å
193	V	82	Confident	67.5	Low	58 Å²	58	67.8 Å²	67.8	35%	0.352	35%	0.347	S	S	.	.	S	Bend	trans	-84.8	-36.2	174.7	172.3	0	0	0	0	110.9	H58 S137 F138	H58-V193 HydrophobicContact CB-CB 4Å; H58-V193 HydrophobicContact CB-CG2 3.56Å; H58-V193 PolarHBondContact O-N 2.99Å; S137-V193 WeakPolarHBondContact OG-CA 3.41Å; S137-V193 PolarHBondContact OG-O 3.35Å; F138-V193 WeakPolarHBondContact CD1-O 3.08Å
194	D	82.3	Confident	69.9	Low	53 Å²	53	64.5 Å²	64.5	28%	0.283	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.1	-179	-165.9	15.1	0	0	0	111.4	I59 L60 I192 Q196	I59-D194 HydrophobicContact CG1-CB 4.39Å; L60-D194 PolarHBondContact N-O 3.4Å; I192-D194 WeakPolarHBondContact CG2-O 3.49Å; D194-Q196 WeakPolarHBondContact OD2-CG 3.4Å; D194-Q196 PolarHBondContact OD2-NE2 3.01Å
195	V	85.5	Confident	72.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.4	176.4	-177.4	0	0	0	0	109.4	L60 Y62 F138 L155 F156 I192	L60-V195 HydrophobicContact CB-CG2 4.31Å; L60-V195 HydrophobicContact CD2-CG2 4.42Å; L60-V195 CarbonylContact O-C 3.55Å; L60-V195 VanDerWaalsContact O-CA 3.28Å; L60-V195 WeakPolarHBondContact O-CA 3.4Å; Y62-V195 HydrophobicContact CD1-CG1 3.72Å; Y62-V195 HydrophobicContact CE1-CG1 3.82Å; F138-V195 HydrophobicContact CZ-CG2 4.08Å; L155-V195 HydrophobicContact CD1-CG2 4.28Å; F156-V195 HydrophobicContact CE1-CG1 3.93Å; F156-V195 HydrophobicContact CZ-CG1 4.46Å; I192-V195 HydrophobicContact CG2-CG2 3.64Å
196	Q	83.5	Confident	74.3	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.9	-172.4	-63.7	178.3	-2.6	0	0	111.6	I59 L60 Q61 Y62 D194 L198	I59-Q196 HydrophobicContact CG2-CB 4.43Å; I59-Q196 HydrophobicContact CG2-CG 4.04Å; L60-Q196 PolarHBondContact O-N 3.16Å; Q61-Q196 CarbonylContact C-O 3.58Å; Q61-Q196 VanDerWaalsContact CA-O 3.23Å; Q61-Q196 WeakPolarHBondContact CA-O 3.42Å; Q61-Q196 HydrophobicContact CG-CB 4.3Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.43Å; Y62-Q196 PolarHBondContact N-O 3.46Å; D194-Q196 WeakPolarHBondContact OD2-CG 3.4Å; D194-Q196 PolarHBondContact OD2-NE2 3.01Å; Q196-L198 PolarHBondContact O-N 2.87Å
197	L	81.6	Confident	75.8	Confident	18 Å²	18	46.2 Å²	46.2	9%	0.094	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121.8	172	-178.5	68	0	0	0	109.9	Y62 P64 Q199 F205 N646	Y62-L197 HydrophobicContact CD2-CD1 4.42Å; Y62-L197 HydrophobicContact CE1-CB 4.44Å; Y62-L197 HydrophobicContact CE2-CD1 3.84Å; P64-L197 HydrophobicContact CG-CD1 3.5Å; P64-L197 VanDerWaalsContact CG-CD1 3.5Å; L197-Q199 HydrophobicContact CB-CG 4.46Å; L197-Q199 HydrophobicContact CD2-CG 3.5Å; L197-Q199 HydrophobicContact CG-CG 3.78Å; L197-Q199 PolarHBondContact O-N 2.86Å; L197-F205 HydrophobicContact CD1-CD2 4.37Å; L197-F205 HydrophobicContact CD1-CE2 4.27Å; L197-F205 HydrophobicContact CD2-CB 3.96Å; L197-F205 HydrophobicContact CD2-CD1 3.75Å; L197-F205 HydrophobicContact CD2-CD2 3.76Å; L197-F205 HydrophobicContact CD2-CE1 4.2Å; L197-F205 HydrophobicContact CD2-CE2 4.25Å; L197-F205 HydrophobicContact CD2-CG 3.5Å; L197-F205 VanDerWaalsContact CD2-CG 3.5Å; L197-F205 HydrophobicContact CD2-CZ 4.41Å; L197-N646 HydrophobicContact CB-CB 4.37Å; L197-N646 WeakPolarHBondContact CB-OD1 3.22Å; L197-N646 PolarHBondContact N-OD1 3.3Å
198	L	77.3	Confident	76.9	Confident	28 Å²	28	44.2 Å²	44.2	15%	0.147	22%	0.218	C	C	.	.			trans	-75.3	82	166.7	-169.1	70.2	0	0	0	108	Q61 Y62 M63 W74 L79 Q196 R200	Q61-L198 HydrophobicContact CB-CB 4.26Å; Q61-L198 HydrophobicContact CB-CD1 4.27Å; Y62-L198 WeakPolarHBondContact O-CB 3.34Å; Y62-L198 PolarHBondContact O-N 3.46Å; M63-L198 HydrophobicContact CB-CB 4.45Å; W74-L198 HydrophobicContact CH2-CD2 3.85Å; W74-L198 HydrophobicContact CH2-CG 4.38Å; W74-L198 HydrophobicContact CZ2-CD2 4.14Å; W74-L198 HydrophobicContact CZ2-CG 4.25Å; L79-L198 HydrophobicContact CD2-CD2 4.36Å; Q196-L198 PolarHBondContact O-N 2.87Å; L198-R200 PolarHBondContact O-N 2.88Å
199	Q	66.5	Low	77.8	Confident	67 Å²	67	41 Å²	41	31%	0.313	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-67.3	131.5	175.1	-75.2	-176	-22.3	0	0	109.7	L197 Q201 D614	L197-Q199 HydrophobicContact CB-CG 4.46Å; L197-Q199 HydrophobicContact CD2-CG 3.5Å; L197-Q199 HydrophobicContact CG-CG 3.78Å; L197-Q199 PolarHBondContact O-N 2.86Å; Q199-Q201 PolarHBondContact O-N 3.32Å; Q199-D614 PolarHBondContact NE2-O 2.9Å
200	R	65.4	Low	78.5	Confident	19 Å²	19	38.6 Å²	38.6	7%	0.072	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-64.3	124.5	166.7	-63.9	177.4	173.2	-155.2	-8.4	107	M63 D72 W74 L198 H202 M203	M63-R200 HydrophobicContact SD-CG 4.11Å; M63-R200 PolarHBondContact SD-NE 2.67Å; D72-R200 IonicContact OD1-NH1 2.63Å; D72-R200 IonicContact OD2-CZ 2.88Å; D72-R200 IonicContact OD2-NH1 2.66Å; D72-R200 PolarHBondContact OD2-NH1 3.3Å; D72-R200 IonicContact OD2-NH2 3.78Å; D72-R200 PolarHBondContact OD2-NH2 3.31Å; W74-R200 HydrophobicContact CD2-CB 4.28Å; W74-R200 HydrophobicContact CD2-CG 3.74Å; W74-R200 HydrophobicContact CE3-CG 3.97Å; W74-R200 HydrophobicContact CG-CB 4.32Å; W74-R200 HydrophobicContact CG-CG 4.21Å; W74-R200 HydrophobicContact CH2-CG 4.31Å; W74-R200 HydrophobicContact CZ2-CG 4.11Å; W74-R200 HydrophobicContact CZ3-CG 4.25Å; L198-R200 PolarHBondContact O-N 2.88Å; R200-H202 PolarHBondContact O-N 2.94Å; R200-M203 HydrophobicContact CB-CB 4Å; R200-M203 HydrophobicContact CB-CG 3.92Å; R200-M203 HydrophobicContact CB-SD 3.61Å; R200-M203 WeakPolarHBondContact CD-SD 3.27Å; R200-M203 HydrophobicContact CG-SD 4.06Å; R200-M203 PolarHBondContact O-N 3.39Å; R200-M203 VanDerWaalsContact O-N 3.09Å
201	Q	64.4	Low	78.9	Confident	140 Å²	140	39.3 Å²	39.3	65%	0.654	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	139.3	174.5	-71.8	-178.3	-11.8	0	0	108.7	Q199 M203	Q199-Q201 PolarHBondContact O-N 3.32Å; Q201-M203 VanDerWaalsContact C-N 3.26Å; Q201-M203 PolarHBondContact O-N 2.92Å
202	H	74.3	Confident	79	Confident	110 Å²	110	40.5 Å²	40.5	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	20	-179.1	-49.2	-67.5	0	0	0	115.8	R200 I264 S265	R200-H202 PolarHBondContact O-N 2.94Å; H202-I264 CarbonylContact O-C 3.51Å; H202-I264 WeakPolarHBondContact O-CA 3.38Å; H202-I264 WeakPolarHBondContact O-CG2 3.15Å; H202-S265 WeakPolarHBondContact CA-OG 3.48Å; H202-S265 PolarHBondContact O-N 3.31Å; H202-S265 PolarHBondContact O-OG 2.78Å
203	M	80.5	Confident	79.2	Confident	42 Å²	42	41 Å²	41	21%	0.207	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-116.9	149.1	170.5	-67.9	-172.3	46	0	0	113.2	R200 Q201 S262 P263 S265	R200-M203 HydrophobicContact CB-CB 4Å; R200-M203 HydrophobicContact CB-CG 3.92Å; R200-M203 HydrophobicContact CB-SD 3.61Å; R200-M203 WeakPolarHBondContact CD-SD 3.27Å; R200-M203 HydrophobicContact CG-SD 4.06Å; R200-M203 PolarHBondContact O-N 3.39Å; R200-M203 VanDerWaalsContact O-N 3.09Å; Q201-M203 VanDerWaalsContact C-N 3.26Å; Q201-M203 PolarHBondContact O-N 2.92Å; M203-S262 WeakPolarHBondContact CE-OG 3.25Å; M203-P263 CarbonylContact C-O 3.53Å; M203-P263 WeakPolarHBondContact CA-O 3.44Å; M203-P263 WeakPolarHBondContact CB-O 3.35Å; M203-S265 PolarHBondContact N-OG 3.43Å; M203-S265 PolarHBondContact O-OG 3.36Å
204	L	87.7	Confident	79.6	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.181	C	C	.	.			trans	-88.3	122.2	169.3	176.9	76.7	0	0	0	108.7	V206 P263 H598 F613 I616	L204-V206 HydrophobicContact CD2-CG2 3.68Å; L204-V206 HydrophobicContact CG-CG2 3.88Å; L204-V206 PolarHBondContact O-N 3.34Å; L204-P263 HydrophobicContact CB-CB 4.09Å; L204-P263 HydrophobicContact CD2-CB 4.12Å; L204-P263 HydrophobicContact CD2-CG 4.46Å; L204-P263 PolarHBondContact N-O 2.66Å; L204-H598 HydrophobicContact CB-CB 4.33Å; L204-H598 HydrophobicContact CD2-CB 3.73Å; L204-F613 VanDerWaalsContact CD1-C 3.46Å; L204-F613 HydrophobicContact CD1-CB 3.59Å; L204-F613 VanDerWaalsContact CD1-O 3.26Å; L204-F613 WeakPolarHBondContact CD1-O 3.19Å; L204-I616 HydrophobicContact CD1-CG1 4.14Å; L204-I616 HydrophobicContact CD2-CD1 3.79Å; L204-I616 HydrophobicContact CD2-CG1 4.05Å; L204-I616 HydrophobicContact CG-CG1 4.43Å
205	F	86.2	Confident	80	Confident	26 Å²	26	38.2 Å²	38.2	11%	0.114	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.5	172.6	179.9	-110.4	0	0	0	111.1	P64 P157 L197 D207 D614 A615 I616 H617	P64-F205 HydrophobicContact CB-CE2 4.25Å; P64-F205 HydrophobicContact CG-CE2 3.61Å; P64-F205 HydrophobicContact CG-CZ 4.09Å; P157-F205 HydrophobicContact CG-CZ 4.15Å; L197-F205 HydrophobicContact CD1-CD2 4.37Å; L197-F205 HydrophobicContact CD1-CE2 4.27Å; L197-F205 HydrophobicContact CD2-CB 3.96Å; L197-F205 HydrophobicContact CD2-CD1 3.75Å; L197-F205 HydrophobicContact CD2-CD2 3.76Å; L197-F205 HydrophobicContact CD2-CE1 4.2Å; L197-F205 HydrophobicContact CD2-CE2 4.25Å; L197-F205 HydrophobicContact CD2-CG 3.5Å; L197-F205 VanDerWaalsContact CD2-CG 3.5Å; L197-F205 HydrophobicContact CD2-CZ 4.41Å; F205-D207 HydrophobicContact CE1-CB 4.04Å; F205-D207 HydrophobicContact CE2-CB 4.48Å; F205-D207 HydrophobicContact CZ-CB 3.68Å; F205-D614 WeakPolarHBondContact CB-O 3.19Å; F205-D614 PolarHBondContact N-O 2.77Å; F205-A615 HydrophobicContact CB-CB 4.05Å; F205-A615 HydrophobicContact CD1-CB 4.23Å; F205-A615 CarbonylContact O-C 3.53Å; F205-A615 VanDerWaalsContact O-CA 3.28Å; F205-A615 WeakPolarHBondContact O-CA 3.44Å; F205-I616 PolarHBondContact O-N 2.79Å; F205-H617 AromaticContact CD1-CE1 3.7Å; F205-H617 AromaticContact CE1-CE1 3.51Å
206	V	84.4	Confident	80.1	Confident	13 Å²	13	38.2 Å²	38.2	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	114.1	171.1	-173.2	0	0	0	0	107.1	L204 A210 M211 P263 Y595 I616	L204-V206 HydrophobicContact CD2-CG2 3.68Å; L204-V206 HydrophobicContact CG-CG2 3.88Å; L204-V206 PolarHBondContact O-N 3.34Å; V206-A210 HydrophobicContact CG1-CB 3.69Å; V206-M211 HydrophobicContact CB-CE 4.19Å; V206-M211 HydrophobicContact CB-CG 4.46Å; V206-M211 HydrophobicContact CG1-CG 3.81Å; V206-P263 HydrophobicContact CG2-CG 4.33Å; V206-Y595 HydrophobicContact CG2-CD2 4.18Å; V206-I616 HydrophobicContact CG2-CB 4.28Å; V206-I616 HydrophobicContact CG2-CD1 4.5Å; V206-I616 HydrophobicContact CG2-CG1 4.5Å
207	D	74	Confident	79.9	Confident	13 Å²	13	35.9 Å²	35.9	7%	0.07	17%	0.168	C	C	.	.			trans	-73.1	165.9	-179.7	70.8	40.1	0	0	0	112.2	P157 F205 S209 A210 M211	P157-D207 HydrophobicContact CB-CB 4.42Å; F205-D207 HydrophobicContact CE1-CB 4.04Å; F205-D207 HydrophobicContact CE2-CB 4.48Å; F205-D207 HydrophobicContact CZ-CB 3.68Å; D207-S209 PolarHBondContact O-N 3.47Å; D207-S209 WeakPolarHBondContact OD1-CA 3.11Å; D207-S209 WeakPolarHBondContact OD1-CB 3.36Å; D207-S209 PolarHBondContact OD1-N 3.31Å; D207-A210 PolarHBondContact O-N 3.47Å; D207-A210 WeakPolarHBondContact OD1-CB 3.39Å; D207-A210 PolarHBondContact OD1-N 2.88Å; D207-M211 WeakPolarHBondContact O-CG 3.13Å; D207-M211 PolarHBondContact O-N 3.38Å
208	K	73.6	Confident	79.3	Confident	81 Å²	81	36.7 Å²	36.7	35%	0.352	17%	0.173	S	C	.	.	H	α-helix	trans	-59.6	-33.5	-178.7	-171.8	-176.1	177.1	-168.7	0	112.5	N159 M211 K212 F219	N159-K208 HydrophobicContact CB-CD 3.93Å; K208-M211 PolarHBondContact O-N 3Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 2.9Å; K208-F219 HydrophobicContact CG-CD2 4.18Å; K208-F219 HydrophobicContact CG-CE1 4.37Å; K208-F219 HydrophobicContact CG-CE2 3.83Å; K208-F219 HydrophobicContact CG-CZ 3.94Å
209	S	76.2	Confident	78.2	Confident	13 Å²	13	38 Å²	38	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-70.6	-41.9	179.6	-63.7	0	0	0	0	110.8	D207 K212 Y213 M639	D207-S209 PolarHBondContact O-N 3.47Å; D207-S209 WeakPolarHBondContact OD1-CA 3.11Å; D207-S209 WeakPolarHBondContact OD1-CB 3.36Å; D207-S209 PolarHBondContact OD1-N 3.31Å; S209-K212 PolarHBondContact O-N 2.86Å; S209-Y213 WeakPolarHBondContact O-CB 3.36Å; S209-Y213 PolarHBondContact O-N 3.19Å; S209-M639 WeakPolarHBondContact OG-CE 3.24Å
210	A	84.3	Confident	77.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-45.3	171.5	0	0	0	0	0	111.5	V206 D207 K212 Y213 L214 I618	V206-A210 HydrophobicContact CG1-CB 3.69Å; D207-A210 PolarHBondContact O-N 3.47Å; D207-A210 WeakPolarHBondContact OD1-CB 3.39Å; D207-A210 PolarHBondContact OD1-N 2.88Å; A210-K212 VanDerWaalsContact C-N 3.28Å; A210-K212 PolarHBondContact O-N 2.95Å; A210-Y213 PolarHBondContact O-N 3.08Å; A210-L214 WeakPolarHBondContact O-CB 3.37Å; A210-L214 WeakPolarHBondContact O-CG 3.49Å; A210-L214 PolarHBondContact O-N 2.7Å; A210-I618 HydrophobicContact CB-CB 4.08Å; A210-I618 HydrophobicContact CB-CD1 3.91Å; A210-I618 HydrophobicContact CB-CG1 3.74Å
211	M	84.4	Confident	76.1	Confident	15 Å²	15	44.8 Å²	44.8	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-38.4	175	-66.9	-169	175.5	0	0	112.4	V206 D207 K208 Q215 I216 F219	V206-M211 HydrophobicContact CB-CE 4.19Å; V206-M211 HydrophobicContact CB-CG 4.46Å; V206-M211 HydrophobicContact CG1-CG 3.81Å; D207-M211 WeakPolarHBondContact O-CG 3.13Å; D207-M211 PolarHBondContact O-N 3.38Å; K208-M211 PolarHBondContact O-N 3Å; M211-Q215 PolarHBondContact O-N 2.97Å; M211-Q215 VanDerWaalsContact O-N 3.12Å; M211-I216 HydrophobicContact CB-CB 4.34Å; M211-I216 HydrophobicContact CB-CD1 4.2Å; M211-I216 HydrophobicContact CB-CG1 4.41Å; M211-I216 HydrophobicContact CG-CD1 4.06Å; M211-I216 WeakPolarHBondContact O-CG1 2.94Å; M211-I216 PolarHBondContact O-N 3.41Å; M211-F219 HydrophobicContact CB-CE2 3.96Å; M211-F219 HydrophobicContact CB-CZ 4.04Å; M211-F219 HydrophobicContact SD-CZ 3.91Å
212	K	82.8	Confident	74.7	Confident	85 Å²	85	44 Å²	44	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-70	-46.2	176.6	-172.5	-173.2	176.1	-151.2	0	111.6	K208 S209 A210 L214 Q215 D623	K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 2.9Å; S209-K212 PolarHBondContact O-N 2.86Å; A210-K212 VanDerWaalsContact C-N 3.28Å; A210-K212 PolarHBondContact O-N 2.95Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.4Å; K212-Q215 PolarHBondContact O-N 2.72Å; K212-D623 WeakPolarHBondContact CE-OD1 3.32Å; K212-D623 IonicContact NZ-OD1 3.95Å; K212-D623 PolarHBondContact NZ-OD1 3.34Å
213	Y	86.7	Confident	72.6	Confident	15 Å²	15	46.3 Å²	46.3	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-41.9	177.3	178.2	-90.2	0	0	0	112	S209 A210 Q215 K588 I618 T620 D656	S209-Y213 WeakPolarHBondContact O-CB 3.36Å; S209-Y213 PolarHBondContact O-N 3.19Å; A210-Y213 PolarHBondContact O-N 3.08Å; Y213-Q215 VanDerWaalsContact C-N 3.28Å; Y213-Q215 PolarHBondContact O-N 3.4Å; Y213-K588 HydrophobicContact CD1-CG 3.88Å; Y213-K588 HydrophobicContact CE1-CB 4.42Å; Y213-K588 HydrophobicContact CE1-CD 4.16Å; Y213-K588 HydrophobicContact CE1-CG 3.25Å; Y213-K588 WeakPolarHBondContact O-CE 3.26Å; Y213-K588 PolarHBondContact O-NZ 3.41Å; Y213-I618 HydrophobicContact CD1-CD1 3.4Å; Y213-I618 HydrophobicContact CD1-CG1 4.47Å; Y213-I618 HydrophobicContact CD1-CG2 3.69Å; Y213-I618 HydrophobicContact CD2-CG2 3.92Å; Y213-I618 HydrophobicContact CE1-CD1 4.02Å; Y213-I618 HydrophobicContact CE1-CG2 3.96Å; Y213-I618 HydrophobicContact CE2-CG2 4.21Å; Y213-I618 HydrophobicContact CG-CD1 4.08Å; Y213-I618 HydrophobicContact CG-CG2 3.65Å; Y213-T620 HydrophobicContact CD2-CG2 4.03Å; Y213-D656 HydrophobicContact CE2-CB 4.21Å; Y213-D656 PolarHBondContact OH-OD2 2.84Å
214	L	90.4	Very high	70.1	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.8	176.8	-63.1	175.4	0	0	0	113.9	A210 K212 I216 Y548 K588 A591 L592 I618	A210-L214 WeakPolarHBondContact O-CB 3.37Å; A210-L214 WeakPolarHBondContact O-CG 3.49Å; A210-L214 PolarHBondContact O-N 2.7Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.4Å; L214-I216 VanDerWaalsContact C-N 3.3Å; L214-I216 HydrophobicContact CB-CD1 4.03Å; L214-I216 HydrophobicContact CB-CG1 3.67Å; L214-I216 HydrophobicContact CD1-CD1 4.09Å; L214-I216 PolarHBondContact O-N 3.19Å; L214-Y548 PolarHBondContact O-OH 3.41Å; L214-K588 HydrophobicContact CD2-CB 4.39Å; L214-K588 HydrophobicContact CD2-CG 4.35Å; L214-A591 HydrophobicContact CD1-CB 4.11Å; L214-A591 HydrophobicContact CD2-CB 3.73Å; L214-L592 HydrophobicContact CB-CD1 4.3Å; L214-L592 HydrophobicContact CD2-CB 4.47Å; L214-I618 HydrophobicContact CD1-CD1 3.96Å; L214-I618 HydrophobicContact CD2-CD1 3.95Å; L214-I618 HydrophobicContact CG-CD1 3.68Å
215	Q	90.2	Very high	67.4	Low	52 Å²	52	58.8 Å²	58.8	24%	0.243	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	43.4	179.4	-58.2	173.4	-89	0	0	112.8	M211 K212 Y213 T239 L240 Y548 I550	M211-Q215 PolarHBondContact O-N 2.97Å; M211-Q215 VanDerWaalsContact O-N 3.12Å; K212-Q215 PolarHBondContact O-N 2.72Å; Y213-Q215 VanDerWaalsContact C-N 3.28Å; Y213-Q215 PolarHBondContact O-N 3.4Å; Q215-T239 CarbonylContact O-C 3.53Å; Q215-T239 VanDerWaalsContact O-CA 3.22Å; Q215-T239 WeakPolarHBondContact O-CA 3.42Å; Q215-T239 WeakPolarHBondContact O-CB 3.3Å; Q215-L240 PolarHBondContact O-N 3.35Å; Q215-Y548 PolarHBondContact OE1-OH 3.12Å; Q215-I550 HydrophobicContact CB-CD1 3.63Å
216	I	88.3	Confident	64.8	Low	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.311	C	S	.	.			trans	-71.5	-57.2	-173	-55.6	-171.3	0	0	0	111.3	M211 L214 L240 F241 M260 Y595	M211-I216 HydrophobicContact CB-CB 4.34Å; M211-I216 HydrophobicContact CB-CD1 4.2Å; M211-I216 HydrophobicContact CB-CG1 4.41Å; M211-I216 HydrophobicContact CG-CD1 4.06Å; M211-I216 WeakPolarHBondContact O-CG1 2.94Å; M211-I216 PolarHBondContact O-N 3.41Å; L214-I216 VanDerWaalsContact C-N 3.3Å; L214-I216 HydrophobicContact CB-CD1 4.03Å; L214-I216 HydrophobicContact CB-CG1 3.67Å; L214-I216 HydrophobicContact CD1-CD1 4.09Å; L214-I216 PolarHBondContact O-N 3.19Å; I216-L240 HydrophobicContact CG2-CD2 4.45Å; I216-F241 WeakPolarHBondContact O-CB 3.3Å; I216-F241 PolarHBondContact O-N 3.45Å; I216-M260 HydrophobicContact CG2-CB 4.43Å; I216-M260 HydrophobicContact CG2-CE 3.62Å; I216-Y595 HydrophobicContact CD1-CD1 4.13Å; I216-Y595 HydrophobicContact CD1-CD2 3.73Å; I216-Y595 HydrophobicContact CD1-CE1 3.93Å; I216-Y595 HydrophobicContact CD1-CE2 3.45Å; I216-Y595 VanDerWaalsContact CD1-CE2 3.45Å; I216-Y595 HydrophobicContact CD1-CG 4.06Å; I216-Y595 HydrophobicContact CG2-CE1 4.06Å; I216-Y595 HydrophobicContact CG2-CE2 4.43Å; I216-Y595 WeakPolarHBondContact CG2-OH 3.39Å
217	I	79.6	Confident	62.2	Low	14 Å²	14	71.5 Å²	71.5	7%	0.072	35%	0.349	C	S	.	.	S	Bend	trans	-134.6	140.3	179.4	-66.7	158.9	0	0	0	108	F219 F241 R257 M260	I217-F219 PolarHBondContact O-N 2.83Å; I217-F241 HydrophobicContact CG1-CB 4.03Å; I217-F241 HydrophobicContact CG1-CD2 4.39Å; I217-F241 HydrophobicContact CG1-CG 4.41Å; I217-R257 HydrophobicContact CD1-CG 4.06Å; I217-M260 HydrophobicContact CD1-CB 3.99Å
218	D	67.6	Low	60.1	Low	35 Å²	35	74.9 Å²	74.9	19%	0.187	39%	0.387	C	S	.	.			trans	-76.1	117.1	170.8	-163.9	-14.9	0	0	0	109.5	H220 T239	D218-H220 VanDerWaalsContact C-N 3.27Å; D218-H220 WeakPolarHBondContact OD1-CB 3.43Å; D218-H220 IonicContact OD1-CD2 2.69Å; D218-H220 IonicContact OD1-CG 3.76Å; D218-H220 PolarHBondContact OD1-N 3.15Å; D218-T239 HydrophobicContact CB-CG2 4.11Å
219	F	55.5	Low	58.2	Low	56 Å²	56	78 Å²	78	25%	0.246	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.4	177.9	-66.1	-75.3	0	0	0	112.9	K208 M211 I217	K208-F219 HydrophobicContact CG-CD2 4.18Å; K208-F219 HydrophobicContact CG-CE1 4.37Å; K208-F219 HydrophobicContact CG-CE2 3.83Å; K208-F219 HydrophobicContact CG-CZ 3.94Å; M211-F219 HydrophobicContact CB-CE2 3.96Å; M211-F219 HydrophobicContact CB-CZ 4.04Å; M211-F219 HydrophobicContact SD-CZ 3.91Å; I217-F219 PolarHBondContact O-N 2.83Å
220	H	49.3	Very low	56.3	Low	126 Å²	126	85 Å²	85	58%	0.583	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.1	-179	-72.1	-80.9	0	0	0	114.2	D218 T222	D218-H220 VanDerWaalsContact C-N 3.27Å; D218-H220 WeakPolarHBondContact OD1-CB 3.43Å; D218-H220 IonicContact OD1-CD2 2.69Å; D218-H220 IonicContact OD1-CG 3.76Å; D218-H220 PolarHBondContact OD1-N 3.15Å; H220-T222 VanDerWaalsContact C-N 3.27Å; H220-T222 PolarHBondContact O-N 2.73Å
221	E	38.5	Very low	53.7	Low	101 Å²	101	89.2 Å²	89.2	47%	0.472	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.8	-176.9	-74.9	-175	162.8	0	0	115.1	Y223 R257	E221-Y223 VanDerWaalsContact C-N 3.27Å; E221-Y223 PolarHBondContact O-N 2.81Å; E221-R257 IonicContact OE2-NH2 3.02Å
222	T	33.6	Very low	51.2	Low	123 Å²	123	92 Å²	92	76%	0.755	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.3	178.7	40.8	0	0	0	0	115	H220 K224	H220-T222 VanDerWaalsContact C-N 3.27Å; H220-T222 PolarHBondContact O-N 2.73Å; T222-K224 PolarHBondContact O-N 3.43Å
223	Y	30.2	Very low	49.2	Very low	160 Å²	160	96.8 Å²	96.8	63%	0.627	51%	0.513	S	S	*	.			trans	-91.2	89.5	167.6	-64.6	-82.5	0	0	0	109.2	E221 V225	E221-Y223 VanDerWaalsContact C-N 3.27Å; E221-Y223 PolarHBondContact O-N 2.81Å; Y223-V225 PolarHBondContact O-N 3.11Å
224	K	28.7	Very low	47	Very low	204 Å²	204	100.4 Å²	100.4	89%	0.887	55%	0.546	S	S	*	.			trans	-59.2	91.4	147	-78.7	-174.9	178.4	179.2	0	105.9	T222 S226	T222-K224 PolarHBondContact O-N 3.43Å; K224-S226 VanDerWaalsContact C-N 3.31Å; K224-S226 PolarHBondContact O-N 3.43Å
225	V	30.8	Very low	44.8	Very low	103 Å²	103	106.8 Å²	106.8	62%	0.624	58%	0.58	S	S	*	*			trans	-57.9	105.6	164.8	175.9	0	0	0	0	105	Y223 K227	Y223-V225 PolarHBondContact O-N 3.11Å; V225-K227 PolarHBondContact O-N 3.04Å; V225-K227 VanDerWaalsContact O-N 3.09Å
226	S	30.7	Very low	43.1	Very low	107 Å²	107	106.6 Å²	106.6	75%	0.748	58%	0.581	S	S	*	*	S	Bend	trans	-43.2	116.1	162.6	40.9	0	0	0	0	108.3	K224	K224-S226 VanDerWaalsContact C-N 3.31Å; K224-S226 PolarHBondContact O-N 3.43Å
227	K	30.9	Very low	42	Very low	199 Å²	199	109.6 Å²	109.6	87%	0.865	60%	0.601	S	S	*	*	S	Bend	trans	78.3	95.6	176.7	-55.1	179	175.4	-179.4	0	116.4	V225 I229	V225-K227 PolarHBondContact O-N 3.04Å; V225-K227 VanDerWaalsContact O-N 3.09Å; K227-I229 PolarHBondContact O-N 3.03Å
228	G	30.8	Very low	42.1	Very low	84 Å²	84	111 Å²	111	87%	0.866	61%	0.611	S	S	*	*	S	Bend		89.3	-1.6	125.9	0	0	0	0	0	120.8
229	I	32.3	Very low	43.2	Very low	146 Å²	146	109.6 Å²	109.6	75%	0.749	60%	0.604	S	S	*	*			trans	-131	90.5	176.8	-50.5	175.1	0	0	0	109.3	K227	K227-I229 PolarHBondContact O-N 3.03Å
230	L	35.9	Very low	45	Very low	161 Å²	161	106.9 Å²	106.9	84%	0.843	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-65.5	131.9	162.6	-79.4	151.9	0	0	0	107.4	S232	L230-S232 PolarHBondContact O-N 3.01Å
231	P	31	Very low	47	Very low	87 Å²	87	101.6 Å²	101.6	57%	0.565	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-56.1	129.7	163.5	-11.8	25.2	0	0	0	106.9	E233	P231-E233 PolarHBondContact O-N 3.18Å
232	S	31.6	Very low	49.5	Very low	74 Å²	74	101.3 Å²	101.3	52%	0.517	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-51.8	138.9	170.5	50.6	0	0	0	0	109	L230 A234 N235	L230-S232 PolarHBondContact O-N 3.01Å; S232-A234 PolarHBondContact O-N 3.34Å; S232-N235 PolarHBondContact O-N 2.89Å
233	E	41.3	Very low	52.3	Low	185 Å²	185	96.5 Å²	96.5	86%	0.864	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-51.2	-22.5	-177.3	-72.1	-178.8	150.1	0	0	113.3	P231 N235	P231-E233 PolarHBondContact O-N 3.18Å; E233-N235 VanDerWaalsContact C-N 3.29Å; E233-N235 PolarHBondContact O-N 2.97Å
234	A	39.5	Very low	55.3	Low	91 Å²	91	88.9 Å²	88.9	75%	0.752	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-65	-19.6	176.9	0	0	0	0	0	115.5	S232	S232-A234 PolarHBondContact O-N 3.34Å
235	N	44.1	Very low	58.4	Low	134 Å²	134	81.3 Å²	81.3	72%	0.717	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-101	1.1	-174	-93.8	-14	0	0	0	115.2	S232 E233 S237	S232-N235 PolarHBondContact O-N 2.89Å; E233-N235 VanDerWaalsContact C-N 3.29Å; E233-N235 PolarHBondContact O-N 2.97Å; N235-S237 PolarHBondContact O-N 2.92Å
236	I	55.3	Low	61.5	Low	49 Å²	49	79.1 Å²	79.1	25%	0.251	46%	0.456	S	S	.	.	S	Bend	trans	-91.9	111.4	-178.8	-50.9	170.8	0	0	0	108.9
237	S	65.4	Low	64.6	Low	62 Å²	62	74.8 Å²	74.8	43%	0.434	43%	0.426	S	S	.	.			trans	-51.4	136.2	177	51.5	0	0	0	0	111.3	N235 T239	N235-S237 PolarHBondContact O-N 2.92Å; S237-T239 PolarHBondContact O-N 3.29Å
238	P	81.5	Confident	67.8	Low	43 Å²	43	68.2 Å²	68.2	28%	0.279	40%	0.4	S	S	.	.			trans	-61.7	133.7	178.1	25.8	-33.9	0	0	0	110	I550 T553	P238-I550 HydrophobicContact CB-CG2 4.05Å; P238-I550 HydrophobicContact CG-CG2 3.75Å; P238-T553 HydrophobicContact CB-CG2 4.18Å; P238-T553 WeakPolarHBondContact CG-OG1 3.39Å
239	T	90.3	Very high	70.8	Confident	6 Å²	6	64.4 Å²	64.4	4%	0.037	36%	0.36	C	S	.	.			trans	-121.1	157.5	179.1	62.2	0	0	0	0	110.7	Q215 D218 S237 F241 K242 I243	Q215-T239 CarbonylContact O-C 3.53Å; Q215-T239 VanDerWaalsContact O-CA 3.22Å; Q215-T239 WeakPolarHBondContact O-CA 3.42Å; Q215-T239 WeakPolarHBondContact O-CB 3.3Å; D218-T239 HydrophobicContact CB-CG2 4.11Å; S237-T239 PolarHBondContact O-N 3.29Å; T239-F241 PolarHBondContact O-N 3.34Å; T239-K242 PolarHBondContact O-N 2.86Å; T239-K242 VanDerWaalsContact O-N 3.16Å; T239-K242 PolarHBondContact OG1-N 3.07Å; T239-I243 PolarHBondContact O-N 3.41Å
240	L	93	Very high	73.4	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-37.5	175.1	-172	68.6	0	0	0	111.4	Q215 I216 K242 I243 L244 M260 W530 P549 I550 L592 Y595 L596	Q215-L240 PolarHBondContact O-N 3.35Å; I216-L240 HydrophobicContact CG2-CD2 4.45Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 2.87Å; L240-I243 PolarHBondContact O-N 3.35Å; L240-I243 VanDerWaalsContact O-N 3.09Å; L240-L244 HydrophobicContact CD1-CD1 4.37Å; L240-L244 HydrophobicContact CD2-CD1 4.16Å; L240-L244 HydrophobicContact CG-CD1 3.87Å; L240-L244 HydrophobicContact CG-CG 4.37Å; L240-L244 PolarHBondContact O-N 2.94Å; L240-M260 HydrophobicContact CB-CE 4.07Å; L240-M260 HydrophobicContact CD2-CE 3.86Å; L240-M260 HydrophobicContact CG-CE 3.95Å; L240-W530 HydrophobicContact CD1-CH2 4.33Å; L240-P549 HydrophobicContact CD1-CG 4.31Å; L240-I550 HydrophobicContact CB-CD1 4.47Å; L240-L592 HydrophobicContact CD1-CD1 4.38Å; L240-L592 HydrophobicContact CD1-CD2 4.35Å; L240-L592 HydrophobicContact CD2-CD1 3.82Å; L240-Y595 HydrophobicContact CD2-CD1 4.08Å; L240-Y595 HydrophobicContact CD2-CE1 3.7Å; L240-L596 HydrophobicContact CD1-CD2 4.26Å; L240-L596 HydrophobicContact CD2-CD2 3.87Å; L240-L596 HydrophobicContact CD2-CG 4.36Å; L240-L596 HydrophobicContact CG-CD2 4.47Å
241	F	91.7	Very high	75.6	Confident	14 Å²	14	54.1 Å²	54.1	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-57.6	-41.9	176.7	-178.7	-96.6	0	0	0	111.8	I216 I217 T239 I243 L244 N245 T253 L256 R257 M260	I216-F241 WeakPolarHBondContact O-CB 3.3Å; I216-F241 PolarHBondContact O-N 3.45Å; I217-F241 HydrophobicContact CG1-CB 4.03Å; I217-F241 HydrophobicContact CG1-CD2 4.39Å; I217-F241 HydrophobicContact CG1-CG 4.41Å; T239-F241 PolarHBondContact O-N 3.34Å; F241-I243 VanDerWaalsContact C-N 3.31Å; F241-I243 PolarHBondContact O-N 3.38Å; F241-L244 PolarHBondContact O-N 3.24Å; F241-N245 HydrophobicContact CD1-CB 4.34Å; F241-N245 HydrophobicContact CE1-CB 4.05Å; F241-N245 HydrophobicContact CE2-CB 4.4Å; F241-N245 HydrophobicContact CZ-CB 4.09Å; F241-N245 WeakPolarHBondContact O-CB 3.42Å; F241-N245 PolarHBondContact O-N 3.47Å; F241-T253 HydrophobicContact CZ-CG2 3.84Å; F241-L256 HydrophobicContact CE2-CD2 4.23Å; F241-L256 HydrophobicContact CE2-CG 4.2Å; F241-R257 HydrophobicContact CD2-CB 4.49Å; F241-R257 VanDerWaalsContact CE1-NH2 3.3Å; F241-R257 HydrophobicContact CE2-CB 3.75Å; F241-R257 HydrophobicContact CE2-CG 4.31Å; F241-R257 HydrophobicContact CZ-CB 4.32Å; F241-M260 HydrophobicContact CB-CE 4.01Å; F241-M260 HydrophobicContact CB-SD 4.2Å; F241-M260 HydrophobicContact CD2-SD 3.65Å; F241-M260 HydrophobicContact CG-SD 4.4Å
242	K	90.7	Very high	78.4	Confident	95 Å²	95	50 Å²	50	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-33.3	176.4	-73.3	-177.6	176.5	-172.4	0	113	T239 L240	T239-K242 PolarHBondContact O-N 2.86Å; T239-K242 VanDerWaalsContact O-N 3.16Å; T239-K242 PolarHBondContact OG1-N 3.07Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 2.87Å
243	I	92.1	Very high	81.1	Confident	23 Å²	23	48.3 Å²	48.3	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-71.6	-40.2	177	-62.8	173.7	0	0	0	110.9	T239 L240 F241 H246 M528 W530 P549 I550	T239-I243 PolarHBondContact O-N 3.41Å; L240-I243 PolarHBondContact O-N 3.35Å; L240-I243 VanDerWaalsContact O-N 3.09Å; F241-I243 VanDerWaalsContact C-N 3.31Å; F241-I243 PolarHBondContact O-N 3.38Å; I243-H246 PolarHBondContact O-NE2 3.46Å; I243-M528 HydrophobicContact CG2-CE 4.35Å; I243-M528 HydrophobicContact CG2-CG 4.4Å; I243-W530 HydrophobicContact CG2-CH2 4.02Å; I243-W530 HydrophobicContact CG2-CZ2 4.01Å; I243-P549 HydrophobicContact CD1-CB 4.42Å; I243-I550 HydrophobicContact CD1-CG1 3.73Å
244	L	94.5	Very high	82.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-85	-28.2	-175.8	-76.2	175.7	0	0	0	114.1	L240 F241 H246 M260 F521 A524 W530 L596 I599	L240-L244 HydrophobicContact CD1-CD1 4.37Å; L240-L244 HydrophobicContact CD2-CD1 4.16Å; L240-L244 HydrophobicContact CG-CD1 3.87Å; L240-L244 HydrophobicContact CG-CG 4.37Å; L240-L244 PolarHBondContact O-N 2.94Å; F241-L244 PolarHBondContact O-N 3.24Å; L244-H246 PolarHBondContact O-N 3.23Å; L244-M260 HydrophobicContact CD1-CE 3.98Å; L244-M260 HydrophobicContact CD1-SD 4.01Å; L244-F521 HydrophobicContact CD1-CE1 4.19Å; L244-F521 HydrophobicContact CD2-CD1 4.06Å; L244-F521 HydrophobicContact CD2-CE1 4.27Å; L244-A524 HydrophobicContact CD2-CB 3.8Å; L244-W530 HydrophobicContact CD2-CH2 3.91Å; L244-W530 HydrophobicContact CD2-CZ3 3.49Å; L244-W530 VanDerWaalsContact CD2-CZ3 3.49Å; L244-W530 HydrophobicContact CG-CH2 4.41Å; L244-W530 HydrophobicContact CG-CZ3 4.4Å; L244-L596 HydrophobicContact CD1-CD2 3.92Å; L244-I599 HydrophobicContact CD1-CD1 3.81Å
245	N	94.2	Very high	85.1	Confident	44 Å²	44	38.7 Å²	38.7	24%	0.235	22%	0.219	C	C	.	.			trans	-77.5	85.8	-171	-174.5	24.8	0	0	0	112.5	F241 C247 T253 L256	F241-N245 HydrophobicContact CD1-CB 4.34Å; F241-N245 HydrophobicContact CE1-CB 4.05Å; F241-N245 HydrophobicContact CE2-CB 4.4Å; F241-N245 HydrophobicContact CZ-CB 4.09Å; F241-N245 WeakPolarHBondContact O-CB 3.42Å; F241-N245 PolarHBondContact O-N 3.47Å; N245-C247 WeakPolarHBondContact OD1-CB 3.37Å; N245-C247 PolarHBondContact OD1-N 3.24Å; N245-T253 WeakPolarHBondContact ND2-CG2 3.24Å; N245-L256 HydrophobicContact CB-CD2 3.78Å
246	H	95.6	Very high	87.2	Confident	57 Å²	57	32.3 Å²	32.3	26%	0.264	19%	0.185	S	C	.	.			trans	-104.5	17.9	167.1	-65	-83.9	0	0	0	112.8	I243 L244 R293 A520 M523	I243-H246 PolarHBondContact O-NE2 3.46Å; L244-H246 PolarHBondContact O-N 3.23Å; H246-R293 PolarHBondContact O-NH1 3.29Å; H246-A520 HydrophobicContact CB-CB 4.06Å; H246-M523 HydrophobicContact CB-CB 3.92Å
247	C	95.8	Very high	88.6	Confident	17 Å²	17	34 Å²	34	12%	0.115	19%	0.188	C	C	.	.			trans	-62.3	142.8	176.3	-63.5	0	0	0	0	110.1	N245 G252 D516	N245-C247 WeakPolarHBondContact OD1-CB 3.37Å; N245-C247 PolarHBondContact OD1-N 3.24Å; C247-G252 PolarHBondContact SG-O 3.47Å; C247-D516 VanDerWaalsContact CA-OD1 3.32Å; C247-D516 WeakPolarHBondContact CA-OD1 3.45Å; C247-D516 WeakPolarHBondContact CB-OD2 3.42Å
248	L	96.4	Very high	89.3	Confident	60 Å²	60	33.5 Å²	33.5	31%	0.314	18%	0.178	S	C	.	.			trans	-99.2	-16.2	179.8	-65.9	175.3	0	0	0	112.7	R293 L296 K297 D516	L248-R293 HydrophobicContact CD1-CB 3.73Å; L248-R293 HydrophobicContact CD1-CG 3.99Å; L248-R293 WeakPolarHBondContact CD1-O 3.33Å; L248-L296 HydrophobicContact CB-CB 4.24Å; L248-L296 HydrophobicContact CD1-CB 4.26Å; L248-K297 HydrophobicContact CD1-CG 4.1Å; L248-D516 PolarHBondContact N-OD1 3.39Å; L248-D516 PolarHBondContact N-OD2 2.63Å
249	T	93.9	Very high	89.4	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.025	17%	0.167	C	C	.	.	S	Bend	trans	-110.9	152.2	-176.6	71.6	0	0	0	0	111.5	Q251 G252 T253 L296 V299 D516	T249-Q251 VanDerWaalsContact C-N 3.33Å; T249-Q251 WeakPolarHBondContact OG1-CG 3.38Å; T249-G252 PolarHBondContact O-N 3.5Å; T249-G252 WeakPolarHBondContact OG1-CA 3.48Å; T249-G252 PolarHBondContact OG1-N 2.93Å; T249-T253 PolarHBondContact O-N 2.92Å; T249-T253 PolarHBondContact O-OG1 2.95Å; T249-L296 HydrophobicContact CG2-CB 4.22Å; T249-L296 HydrophobicContact CG2-CD2 3.99Å; T249-L296 WeakPolarHBondContact CG2-O 3.31Å; T249-V299 HydrophobicContact CG2-CB 3.78Å; T249-V299 HydrophobicContact CG2-CG1 4.03Å; T249-D516 WeakPolarHBondContact CB-OD2 3.37Å; T249-D516 PolarHBondContact N-OD2 2.94Å; T249-D516 PolarHBondContact OG1-OD2 2.92Å
250	T	88	Confident	89.3	Confident	76 Å²	76	31.6 Å²	31.6	47%	0.466	17%	0.165	S	C	.	.	H	α-helix	trans	-64.4	-39.6	175.2	53.3	0	0	0	0	111.8	T253 A254 N301	T250-T253 PolarHBondContact O-N 3.15Å; T250-A254 PolarHBondContact O-N 3.38Å; T250-N301 WeakPolarHBondContact OG1-CB 3.33Å; T250-N301 PolarHBondContact OG1-ND2 3.14Å
251	Q	81.7	Confident	88.6	Confident	15 Å²	15	32.3 Å²	32.3	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-42	175.3	60.5	-171.8	47.6	0	0	112.5	T249 T253 A254 E255 T302 S509 A513	T249-Q251 VanDerWaalsContact C-N 3.33Å; T249-Q251 WeakPolarHBondContact OG1-CG 3.38Å; Q251-T253 PolarHBondContact O-N 3.04Å; Q251-A254 PolarHBondContact O-N 2.8Å; Q251-E255 WeakPolarHBondContact O-CB 3.31Å; Q251-E255 PolarHBondContact O-N 3.43Å; Q251-T302 PolarHBondContact OE1-OG1 3.41Å; Q251-S509 VanDerWaalsContact CD-OG 3.29Å; Q251-S509 PolarHBondContact NE2-O 2.84Å; Q251-S509 PolarHBondContact NE2-OG 2.72Å; Q251-S509 PolarHBondContact OE1-OG 2.88Å; Q251-A513 HydrophobicContact CB-CB 4.15Å; Q251-A513 HydrophobicContact CG-CB 3.97Å
252	G	89.5	Confident	87.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-37.7	175	0	0	0	0	0	112.3	C247 T249 A254 E255 L256 C517	C247-G252 PolarHBondContact SG-O 3.47Å; T249-G252 PolarHBondContact O-N 3.5Å; T249-G252 WeakPolarHBondContact OG1-CA 3.48Å; T249-G252 PolarHBondContact OG1-N 2.93Å; G252-A254 VanDerWaalsContact C-N 3.34Å; G252-A254 PolarHBondContact O-N 3.29Å; G252-E255 PolarHBondContact O-N 3.48Å; G252-L256 WeakPolarHBondContact O-CB 3.35Å; G252-L256 PolarHBondContact O-N 3.43Å; G252-C517 PolarHBondContact O-SG 2.94Å
253	T	89.6	Confident	87.7	Confident	39 Å²	39	28 Å²	28	24%	0.239	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-41.2	173.2	-59.9	0	0	0	0	111.9	F241 N245 T249 T250 Q251 R257	F241-T253 HydrophobicContact CZ-CG2 3.84Å; N245-T253 WeakPolarHBondContact ND2-CG2 3.24Å; T249-T253 PolarHBondContact O-N 2.92Å; T249-T253 PolarHBondContact O-OG1 2.95Å; T250-T253 PolarHBondContact O-N 3.15Å; Q251-T253 PolarHBondContact O-N 3.04Å; T253-R257 WeakPolarHBondContact O-CB 3.22Å; T253-R257 PolarHBondContact O-N 3.15Å; T253-R257 VanDerWaalsContact O-N 3.15Å
254	A	79.2	Confident	87.6	Confident	60 Å²	60	27.6 Å²	27.6	50%	0.496	15%	0.154	S	C	.	.	H	α-helix	trans	-67.7	-43	176.8	0	0	0	0	0	111.7	T250 Q251 G252 R257 K258	T250-A254 PolarHBondContact O-N 3.38Å; Q251-A254 PolarHBondContact O-N 2.8Å; G252-A254 VanDerWaalsContact C-N 3.34Å; G252-A254 PolarHBondContact O-N 3.29Å; A254-R257 WeakPolarHBondContact O-CB 3.49Å; A254-R257 PolarHBondContact O-N 2.87Å; A254-K258 PolarHBondContact O-N 2.91Å
255	E	84.7	Confident	87.4	Confident	15 Å²	15	28.8 Å²	28.8	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-66.7	-40.2	178.5	-170.2	60.2	-155.1	0	0	111.6	Q251 G252 R257 K258 W259 Q510 A513	Q251-E255 WeakPolarHBondContact O-CB 3.31Å; Q251-E255 PolarHBondContact O-N 3.43Å; G252-E255 PolarHBondContact O-N 3.48Å; E255-R257 VanDerWaalsContact C-N 3.31Å; E255-R257 PolarHBondContact O-N 3.42Å; E255-K258 CarbonylContact O-C 3.57Å; E255-K258 WeakPolarHBondContact O-CA 3.17Å; E255-K258 WeakPolarHBondContact O-CB 3.15Å; E255-K258 PolarHBondContact O-N 2.99Å; E255-K258 VanDerWaalsContact O-N 3.12Å; E255-K258 IonicContact OE1-NZ 3.52Å; E255-K258 PolarHBondContact OE1-NZ 2.98Å; E255-K258 WeakPolarHBondContact OE2-CD 3.49Å; E255-K258 IonicContact OE2-NZ 3.52Å; E255-K258 PolarHBondContact OE2-NZ 2.7Å; E255-W259 VanDerWaalsContact O-CD1 3.27Å; E255-W259 PolarHBondContact O-N 2.81Å; E255-W259 PolarHBondContact OE1-NE1 3.37Å; E255-Q510 VanDerWaalsContact CD-NE2 3.29Å; E255-Q510 PolarHBondContact OE1-NE2 3.08Å; E255-Q510 PolarHBondContact OE2-NE2 2.94Å; E255-A513 HydrophobicContact CB-CB 4.04Å; E255-A513 HydrophobicContact CG-CB 4.42Å
256	L	89.1	Confident	87.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-43.2	173.3	177.5	62.3	0	0	0	111.3	F241 N245 G252 K258 W259 M260 C517 F521	F241-L256 HydrophobicContact CE2-CD2 4.23Å; F241-L256 HydrophobicContact CE2-CG 4.2Å; N245-L256 HydrophobicContact CB-CD2 3.78Å; G252-L256 WeakPolarHBondContact O-CB 3.35Å; G252-L256 PolarHBondContact O-N 3.43Å; L256-K258 VanDerWaalsContact C-N 3.25Å; L256-K258 PolarHBondContact O-N 2.93Å; L256-W259 PolarHBondContact O-N 3.22Å; L256-M260 HydrophobicContact CD1-CG 4.35Å; L256-M260 HydrophobicContact CD1-SD 4.28Å; L256-M260 HydrophobicContact CG-SD 4.24Å; L256-M260 WeakPolarHBondContact O-CG 3.41Å; L256-M260 PolarHBondContact O-N 3.26Å; L256-C517 PolarHBondContact N-SG 3.13Å; L256-F521 HydrophobicContact CD1-CD1 4.3Å; L256-F521 HydrophobicContact CD1-CE1 3.48Å; L256-F521 VanDerWaalsContact CD1-CE1 3.48Å; L256-F521 HydrophobicContact CD1-CZ 3.87Å
257	R	83.7	Confident	87	Confident	84 Å²	84	27.9 Å²	27.9	32%	0.317	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-37.6	176.8	-171.7	176	-67.8	-105.9	5.2	111.3	I217 E221 F241 T253 A254 E255 G261	I217-R257 HydrophobicContact CD1-CG 4.06Å; E221-R257 IonicContact OE2-NH2 3.02Å; F241-R257 HydrophobicContact CD2-CB 4.49Å; F241-R257 VanDerWaalsContact CE1-NH2 3.3Å; F241-R257 HydrophobicContact CE2-CB 3.75Å; F241-R257 HydrophobicContact CE2-CG 4.31Å; F241-R257 HydrophobicContact CZ-CB 4.32Å; T253-R257 WeakPolarHBondContact O-CB 3.22Å; T253-R257 PolarHBondContact O-N 3.15Å; T253-R257 VanDerWaalsContact O-N 3.15Å; A254-R257 WeakPolarHBondContact O-CB 3.49Å; A254-R257 PolarHBondContact O-N 2.87Å; E255-R257 VanDerWaalsContact C-N 3.31Å; E255-R257 PolarHBondContact O-N 3.42Å; R257-G261 PolarHBondContact O-N 2.97Å
258	K	79.6	Confident	86.8	Confident	52 Å²	52	33.4 Å²	33.4	23%	0.226	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-46.6	173.3	174.3	-172.5	162.8	-155.4	0	111.5	S69 A254 E255 L256 M260 G261 S262	S69-K258 WeakPolarHBondContact OG-CE 3.38Å; S69-K258 PolarHBondContact OG-NZ 2.96Å; S69-K258 VanDerWaalsContact OG-NZ 3.09Å; A254-K258 PolarHBondContact O-N 2.91Å; E255-K258 CarbonylContact O-C 3.57Å; E255-K258 WeakPolarHBondContact O-CA 3.17Å; E255-K258 WeakPolarHBondContact O-CB 3.15Å; E255-K258 PolarHBondContact O-N 2.99Å; E255-K258 VanDerWaalsContact O-N 3.12Å; E255-K258 IonicContact OE1-NZ 3.52Å; E255-K258 PolarHBondContact OE1-NZ 2.98Å; E255-K258 WeakPolarHBondContact OE2-CD 3.49Å; E255-K258 IonicContact OE2-NZ 3.52Å; E255-K258 PolarHBondContact OE2-NZ 2.7Å; L256-K258 VanDerWaalsContact C-N 3.25Å; L256-K258 PolarHBondContact O-N 2.93Å; K258-M260 PolarHBondContact O-N 2.86Å; K258-G261 CarbonylContact O-C 3.6Å; K258-G261 PolarHBondContact O-N 2.85Å; K258-G261 VanDerWaalsContact O-N 3.07Å; K258-S262 WeakPolarHBondContact O-CB 3.24Å; K258-S262 PolarHBondContact O-N 2.76Å
259	W	85	Confident	86.5	Confident	9 Å²	9	33.3 Å²	33.3	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-39.5	176.1	-70	9.5	0	0	0	111.9	E255 L256 S262 R273 E514 C517 L518 F521	E255-W259 VanDerWaalsContact O-CD1 3.27Å; E255-W259 PolarHBondContact O-N 2.81Å; E255-W259 PolarHBondContact OE1-NE1 3.37Å; L256-W259 PolarHBondContact O-N 3.22Å; W259-S262 CarbonylContact O-C 3.46Å; W259-S262 PolarHBondContact O-N 3.29Å; W259-R273 VanDerWaalsContact CD2-CZ 3.42Å; W259-E514 HydrophobicContact CH2-CB 4.45Å; W259-E514 HydrophobicContact CZ2-CB 4.07Å; W259-E514 HydrophobicContact CZ2-CG 3.91Å; W259-C517 HydrophobicContact CD2-CB 4.31Å; W259-C517 HydrophobicContact CE3-CB 3.74Å; W259-C517 HydrophobicContact CH2-CB 3.51Å; W259-C517 HydrophobicContact CZ2-CB 4.08Å; W259-C517 HydrophobicContact CZ3-CB 3.31Å; W259-L518 HydrophobicContact CH2-CD2 4.13Å; W259-L518 HydrophobicContact CH2-CG 4.08Å; W259-L518 HydrophobicContact CZ3-CD2 4.18Å; W259-L518 HydrophobicContact CZ3-CG 4.43Å; W259-F521 AromaticContact CE3-CE2 3.78Å; W259-F521 HydrophobicContact CE3-CE2 3.78Å; W259-F521 AromaticContact CE3-CZ 4Å; W259-F521 HydrophobicContact CE3-CZ 4Å; W259-F521 HydrophobicContact CZ3-CD2 4.39Å; W259-F521 AromaticContact CZ3-CE2 3.89Å; W259-F521 HydrophobicContact CZ3-CE2 3.89Å; W259-F521 HydrophobicContact CZ3-CZ 4.5Å
260	M	86.6	Confident	86.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74.1	-33	175.8	-67.1	-177	67.9	0	0	112.9	I216 I217 L240 F241 L244 L256 K258 S262 Y595 I599	I216-M260 HydrophobicContact CG2-CB 4.43Å; I216-M260 HydrophobicContact CG2-CE 3.62Å; I217-M260 HydrophobicContact CD1-CB 3.99Å; L240-M260 HydrophobicContact CB-CE 4.07Å; L240-M260 HydrophobicContact CD2-CE 3.86Å; L240-M260 HydrophobicContact CG-CE 3.95Å; F241-M260 HydrophobicContact CB-CE 4.01Å; F241-M260 HydrophobicContact CB-SD 4.2Å; F241-M260 HydrophobicContact CD2-SD 3.65Å; F241-M260 HydrophobicContact CG-SD 4.4Å; L244-M260 HydrophobicContact CD1-CE 3.98Å; L244-M260 HydrophobicContact CD1-SD 4.01Å; L256-M260 HydrophobicContact CD1-CG 4.35Å; L256-M260 HydrophobicContact CD1-SD 4.28Å; L256-M260 HydrophobicContact CG-SD 4.24Å; L256-M260 WeakPolarHBondContact O-CG 3.41Å; L256-M260 PolarHBondContact O-N 3.26Å; K258-M260 PolarHBondContact O-N 2.86Å; M260-S262 PolarHBondContact O-N 3.34Å; M260-Y595 VanDerWaalsContact C-OH 3.27Å; M260-Y595 WeakPolarHBondContact CA-OH 3.38Å; M260-Y595 VanDerWaalsContact CB-OH 3.3Å; M260-Y595 WeakPolarHBondContact CB-OH 3.39Å; M260-Y595 PolarHBondContact O-OH 3.38Å; M260-I599 HydrophobicContact CG-CD1 4.34Å
261	G	79	Confident	86.9	Confident	14 Å²	14	31.4 Å²	31.4	14%	0.144	17%	0.17	C	C	.	.	H	α-helix	trans	-73.8	-12	173.2	0	0	0	0	0	113.9	R257 K258	R257-G261 PolarHBondContact O-N 2.97Å; K258-G261 CarbonylContact O-C 3.6Å; K258-G261 PolarHBondContact O-N 2.85Å; K258-G261 VanDerWaalsContact O-N 3.07Å
262	S	76.4	Confident	87.6	Confident	18 Å²	18	33 Å²	33	13%	0.126	18%	0.175	C	C	.	.	S	Bend	trans	-147.2	68.9	-170.9	-71.3	0	0	0	0	111.3	M203 K258 W259 M260	M203-S262 WeakPolarHBondContact CE-OG 3.25Å; K258-S262 WeakPolarHBondContact O-CB 3.24Å; K258-S262 PolarHBondContact O-N 2.76Å; W259-S262 CarbonylContact O-C 3.46Å; W259-S262 PolarHBondContact O-N 3.29Å; M260-S262 PolarHBondContact O-N 3.34Å
263	P	88	Confident	87.9	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.177	C	C	.	.			trans	-66.8	157	179.6	-10	25.9	0	0	0	111.2	M203 L204 V206 Y595 H598 I599	M203-P263 CarbonylContact C-O 3.53Å; M203-P263 WeakPolarHBondContact CA-O 3.44Å; M203-P263 WeakPolarHBondContact CB-O 3.35Å; L204-P263 HydrophobicContact CB-CB 4.09Å; L204-P263 HydrophobicContact CD2-CB 4.12Å; L204-P263 HydrophobicContact CD2-CG 4.46Å; L204-P263 PolarHBondContact N-O 2.66Å; V206-P263 HydrophobicContact CG2-CG 4.33Å; P263-Y595 HydrophobicContact CB-CE2 4.28Å; P263-Y595 HydrophobicContact CG-CD2 3.79Å; P263-Y595 HydrophobicContact CG-CE2 3.29Å; P263-H598 HydrophobicContact CB-CB 3.94Å; P263-I599 HydrophobicContact CB-CG2 3.78Å; P263-I599 HydrophobicContact CG-CG2 4.08Å
264	I	90.1	Very high	88.3	Confident	15 Å²	15	31.7 Å²	31.7	8%	0.077	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-107.8	141.5	-165.2	-55.9	177	0	0	0	108.9	H202 I269 I270 H598	H202-I264 CarbonylContact O-C 3.51Å; H202-I264 WeakPolarHBondContact O-CA 3.38Å; H202-I264 WeakPolarHBondContact O-CG2 3.15Å; I264-I269 HydrophobicContact CD1-CB 4.49Å; I264-I269 HydrophobicContact CD1-CG2 3.57Å; I264-I269 HydrophobicContact CG2-CB 3.95Å; I264-I269 HydrophobicContact CG2-CD1 4.2Å; I264-I269 HydrophobicContact CG2-CG2 4.15Å; I264-I270 HydrophobicContact CB-CG1 4.28Å; I264-I270 HydrophobicContact CG2-CG1 4.31Å; I264-I270 WeakPolarHBondContact O-CD1 3.43Å; I264-H598 WeakPolarHBondContact CB-O 3.46Å; I264-H598 PolarHBondContact N-O 2.77Å; I264-H598 VanDerWaalsContact O-CB 3.24Å; I264-H598 WeakPolarHBondContact O-CB 3.5Å; I264-H598 PolarHBondContact O-CD2 3.35Å
265	S	88.6	Confident	89.1	Confident	24 Å²	24	32 Å²	32	17%	0.168	16%	0.159	C	C	.	.			trans	-108.2	-5.9	174.1	61.5	0	0	0	0	113.8	H202 M203 E267 T612 F613	H202-S265 WeakPolarHBondContact CA-OG 3.48Å; H202-S265 PolarHBondContact O-N 3.31Å; H202-S265 PolarHBondContact O-OG 2.78Å; M203-S265 PolarHBondContact N-OG 3.43Å; M203-S265 PolarHBondContact O-OG 3.36Å; S265-E267 PolarHBondContact O-N 3.42Å; S265-T612 VanDerWaalsContact O-CG2 3.31Å; S265-T612 WeakPolarHBondContact O-CG2 3.3Å; S265-F613 WeakPolarHBondContact CB-O 3.32Å
266	S	89.1	Confident	89.7	Confident	17 Å²	17	31.2 Å²	31.2	12%	0.119	16%	0.155	C	C	.	.			trans	-72.8	116	170.1	175.7	0	0	0	0	111.5	E268 I269 I270	S266-E268 VanDerWaalsContact C-N 3.25Å; S266-E268 PolarHBondContact O-N 3.26Å; S266-E268 PolarHBondContact OG-N 3.12Å; S266-I269 PolarHBondContact O-N 3.42Å; S266-I270 WeakPolarHBondContact O-CD1 3.02Å; S266-I270 WeakPolarHBondContact O-CG1 3.47Å; S266-I270 PolarHBondContact O-N 2.88Å; S266-I270 VanDerWaalsContact O-N 3.09Å
267	E	92.3	Very high	90.1	Very high	66 Å²	66	31.2 Å²	31.2	31%	0.308	16%	0.155	S	C	.	.	H	α-helix	trans	-55.3	-40.4	173.8	175.2	171.6	171.1	0	0	112.4	S265 I269 I270 T271 I535 T612	S265-E267 PolarHBondContact O-N 3.42Å; E267-I269 PolarHBondContact O-N 2.7Å; E267-I270 PolarHBondContact O-N 3.24Å; E267-T271 VanDerWaalsContact O-CB 3.24Å; E267-T271 WeakPolarHBondContact O-CB 3.49Å; E267-T271 PolarHBondContact O-N 3.16Å; E267-T271 PolarHBondContact O-OG1 2.87Å; E267-I535 HydrophobicContact CB-CG2 4.22Å; E267-I535 HydrophobicContact CG-CB 4.35Å; E267-I535 HydrophobicContact CG-CG2 3.77Å; E267-T612 HydrophobicContact CB-CG2 4.13Å
268	E	92.1	Very high	90.8	Very high	132 Å²	132	31.9 Å²	31.9	62%	0.617	16%	0.162	S	C	*	.	H	α-helix	trans	-59.5	-49.2	-179.7	-174.6	-170.2	162.5	0	0	111.2	S266 T271 R272	S266-E268 VanDerWaalsContact C-N 3.25Å; S266-E268 PolarHBondContact O-N 3.26Å; S266-E268 PolarHBondContact OG-N 3.12Å; E268-T271 PolarHBondContact O-N 3.08Å; E268-R272 VanDerWaalsContact O-CG 3.29Å; E268-R272 WeakPolarHBondContact O-CG 3.42Å; E268-R272 PolarHBondContact O-N 2.66Å
269	I	91.3	Very high	91.6	Very high	58 Å²	58	31 Å²	31	30%	0.297	16%	0.158	S	C	.	.	H	α-helix	trans	-69.9	-40.8	-177.1	-57.6	172.6	0	0	0	110.7	I264 S266 E267 T271 R272 R273	I264-I269 HydrophobicContact CD1-CB 4.49Å; I264-I269 HydrophobicContact CD1-CG2 3.57Å; I264-I269 HydrophobicContact CG2-CB 3.95Å; I264-I269 HydrophobicContact CG2-CD1 4.2Å; I264-I269 HydrophobicContact CG2-CG2 4.15Å; S266-I269 PolarHBondContact O-N 3.42Å; E267-I269 PolarHBondContact O-N 2.7Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.31Å; I269-R272 PolarHBondContact O-N 2.98Å; I269-R273 PolarHBondContact O-N 3.37Å; I269-R273 VanDerWaalsContact O-N 3.11Å
270	I	95	Very high	92.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-45.8	175.6	-60.3	164.1	0	0	0	109.6	I264 S266 E267 R272 R273 L274 I535 T597	I264-I270 HydrophobicContact CB-CG1 4.28Å; I264-I270 HydrophobicContact CG2-CG1 4.31Å; I264-I270 WeakPolarHBondContact O-CD1 3.43Å; S266-I270 WeakPolarHBondContact O-CD1 3.02Å; S266-I270 WeakPolarHBondContact O-CG1 3.47Å; S266-I270 PolarHBondContact O-N 2.88Å; S266-I270 VanDerWaalsContact O-N 3.09Å; E267-I270 PolarHBondContact O-N 3.24Å; I270-R272 PolarHBondContact O-N 2.98Å; I270-R273 PolarHBondContact O-N 3.17Å; I270-L274 HydrophobicContact CG2-CD1 4.06Å; I270-L274 HydrophobicContact CG2-CG 4.39Å; I270-L274 WeakPolarHBondContact O-CG 3.26Å; I270-L274 PolarHBondContact O-N 3.41Å; I270-I535 HydrophobicContact CB-CD1 3.73Å; I270-I535 HydrophobicContact CG2-CD1 3.31Å; I270-I535 HydrophobicContact CG2-CG1 4.26Å; I270-T597 WeakPolarHBondContact CG2-O 3.34Å
271	T	95.5	Very high	92.6	Very high	40 Å²	40	33.3 Å²	33.3	25%	0.245	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-45.3	179.5	-59.3	0	0	0	0	111.3	E267 E268 I269 R273 L274 D275	E267-T271 VanDerWaalsContact O-CB 3.24Å; E267-T271 WeakPolarHBondContact O-CB 3.49Å; E267-T271 PolarHBondContact O-N 3.16Å; E267-T271 PolarHBondContact O-OG1 2.87Å; E268-T271 PolarHBondContact O-N 3.08Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.31Å; T271-R273 VanDerWaalsContact C-N 3.3Å; T271-R273 PolarHBondContact O-N 3.4Å; T271-L274 PolarHBondContact O-N 3.11Å; T271-L274 VanDerWaalsContact O-N 3.15Å; T271-D275 WeakPolarHBondContact O-CB 3.28Å; T271-D275 PolarHBondContact O-N 3.37Å
272	R	95.2	Very high	93.2	Very high	47 Å²	47	34.3 Å²	34.3	18%	0.177	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-38.7	176.3	-72.2	172.9	86.4	-147.5	1	112.6	E268 I269 I270 A276 Y344 Q347 E348	E268-R272 VanDerWaalsContact O-CG 3.29Å; E268-R272 WeakPolarHBondContact O-CG 3.42Å; E268-R272 PolarHBondContact O-N 2.66Å; I269-R272 PolarHBondContact O-N 2.98Å; I270-R272 PolarHBondContact O-N 2.98Å; R272-A276 PolarHBondContact O-N 3.33Å; R272-Y344 HydrophobicContact CB-CD1 3.96Å; R272-Y344 HydrophobicContact CB-CG 4.02Å; R272-Q347 VanDerWaalsContact NH2-OE1 3.11Å; R272-E348 IonicContact CZ-OE1 2.99Å; R272-E348 IonicContact NH1-OE1 2.69Å; R272-E348 PolarHBondContact NH1-OE1 3.09Å; R272-E348 IonicContact NH2-OE1 3.24Å
273	R	96.7	Very high	93.8	Very high	13 Å²	13	36.9 Å²	36.9	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-48.9	173.8	-73.5	-177	174.7	178.9	1	111.8	W259 I269 I270 T271 D275 A276 V277 Y344 L518 I599	W259-R273 VanDerWaalsContact CD2-CZ 3.42Å; I269-R273 PolarHBondContact O-N 3.37Å; I269-R273 VanDerWaalsContact O-N 3.11Å; I270-R273 PolarHBondContact O-N 3.17Å; T271-R273 VanDerWaalsContact C-N 3.3Å; T271-R273 PolarHBondContact O-N 3.4Å; R273-D275 VanDerWaalsContact C-N 3.3Å; R273-D275 PolarHBondContact O-N 3.37Å; R273-A276 PolarHBondContact O-N 3.03Å; R273-V277 WeakPolarHBondContact O-CG2 3.23Å; R273-V277 PolarHBondContact O-N 3.14Å; R273-Y344 HydrophobicContact CG-CE1 3.87Å; R273-L518 HydrophobicContact CB-CD2 4.27Å; R273-L518 HydrophobicContact CG-CD2 4.26Å; R273-I599 VanDerWaalsContact CD-O 3.28Å; R273-I599 WeakPolarHBondContact CD-O 3.36Å; R273-I599 PolarHBondContact NH1-O 2.92Å
274	L	97	Very high	93.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-40.3	178.9	-69	173.7	0	0	0	111.5	I270 T271 A276 V277 E278 R532 P533 I535 S601 Y602	I270-L274 HydrophobicContact CG2-CD1 4.06Å; I270-L274 HydrophobicContact CG2-CG 4.39Å; I270-L274 WeakPolarHBondContact O-CG 3.26Å; I270-L274 PolarHBondContact O-N 3.41Å; T271-L274 PolarHBondContact O-N 3.11Å; T271-L274 VanDerWaalsContact O-N 3.15Å; L274-A276 PolarHBondContact O-N 3.01Å; L274-V277 PolarHBondContact O-N 3.01Å; L274-E278 WeakPolarHBondContact O-CB 3.34Å; L274-E278 PolarHBondContact O-N 2.93Å; L274-R532 VanDerWaalsContact CB-NH2 3.33Å; L274-R532 PolarHBondContact O-NH1 3.3Å; L274-R532 VanDerWaalsContact O-NH1 3.13Å; L274-P533 HydrophobicContact CD1-CG 4.03Å; L274-P533 HydrophobicContact CD2-CG 4.2Å; L274-I535 HydrophobicContact CD1-CD1 3.79Å; L274-I535 HydrophobicContact CD1-CG1 4.41Å; L274-S601 WeakPolarHBondContact CD2-O 3.42Å; L274-Y602 HydrophobicContact CD2-CD2 4.03Å; L274-Y602 HydrophobicContact CD2-CE2 4.33Å
275	D	96.7	Very high	94	Very high	65 Å²	65	43.5 Å²	43.5	35%	0.348	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-40.7	177.7	-68.8	-9.8	0	0	0	112.3	T271 R273 E278 F279 R532	T271-D275 WeakPolarHBondContact O-CB 3.28Å; T271-D275 PolarHBondContact O-N 3.37Å; R273-D275 VanDerWaalsContact C-N 3.3Å; R273-D275 PolarHBondContact O-N 3.37Å; D275-E278 PolarHBondContact O-N 2.82Å; D275-F279 WeakPolarHBondContact O-CB 3.24Å; D275-F279 PolarHBondContact O-N 3.39Å; D275-R532 VanDerWaalsContact N-NH1 3.2Å; D275-R532 IonicContact OD1-CZ 3.81Å; D275-R532 IonicContact OD1-NH1 3.76Å; D275-R532 PolarHBondContact OD1-NH1 3.13Å; D275-R532 IonicContact OD1-NH2 3.37Å; D275-R532 PolarHBondContact OD1-NH2 3.14Å
276	A	97.2	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-40.7	175.3	0	0	0	0	0	111.8	R272 R273 L274 F279 F280 L343 L518	R272-A276 PolarHBondContact O-N 3.33Å; R273-A276 PolarHBondContact O-N 3.03Å; L274-A276 PolarHBondContact O-N 3.01Å; A276-F279 PolarHBondContact O-N 3.18Å; A276-F280 WeakPolarHBondContact O-CD2 3.4Å; A276-F280 PolarHBondContact O-N 2.8Å; A276-L343 HydrophobicContact CB-CD2 4.05Å; A276-L518 HydrophobicContact CB-CD1 3.84Å; A276-L518 HydrophobicContact CB-CD2 4.1Å; A276-L518 HydrophobicContact CB-CG 4.44Å
277	V	97.4	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-44.8	174.8	175.6	0	0	0	0	110.8	R273 L274 F279 F280 L281 L518 F521 A522 Y602	R273-V277 WeakPolarHBondContact O-CG2 3.23Å; R273-V277 PolarHBondContact O-N 3.14Å; L274-V277 PolarHBondContact O-N 3.01Å; V277-F279 VanDerWaalsContact C-N 3.34Å; V277-F279 PolarHBondContact O-N 3.22Å; V277-F280 PolarHBondContact O-N 3.35Å; V277-L281 HydrophobicContact CG1-CD1 4.06Å; V277-L281 WeakPolarHBondContact O-CG 3.2Å; V277-L281 PolarHBondContact O-N 3.5Å; V277-L281 VanDerWaalsContact O-N 3.11Å; V277-L518 HydrophobicContact CG2-CD2 4.35Å; V277-F521 HydrophobicContact CG2-CB 3.66Å; V277-F521 HydrophobicContact CG2-CD2 4.27Å; V277-A522 HydrophobicContact CG1-CB 4.22Å; V277-Y602 HydrophobicContact CB-CD2 4.24Å; V277-Y602 HydrophobicContact CB-CE2 3.95Å; V277-Y602 HydrophobicContact CG1-CD2 3.54Å; V277-Y602 HydrophobicContact CG1-CE2 3.48Å; V277-Y602 VanDerWaalsContact CG1-CE2 3.48Å; V277-Y602 HydrophobicContact CG1-CG 4.34Å
278	E	97.1	Very high	94.8	Very high	98 Å²	98	46.9 Å²	46.9	46%	0.458	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-43	176.6	-175.1	167.4	-155.1	0	0	111.8	L274 D275 F280 L281 G282 R532 Y602	L274-E278 WeakPolarHBondContact O-CB 3.34Å; L274-E278 PolarHBondContact O-N 2.93Å; D275-E278 PolarHBondContact O-N 2.82Å; E278-F280 PolarHBondContact O-N 3.25Å; E278-L281 PolarHBondContact O-N 3.47Å; E278-G282 PolarHBondContact O-N 2.88Å; E278-R532 IonicContact OE2-CZ 2.67Å; E278-R532 IonicContact OE2-NE 3.83Å; E278-R532 IonicContact OE2-NH1 3.53Å; E278-R532 PolarHBondContact OE2-NH1 3.43Å; E278-Y602 WeakPolarHBondContact CA-OH 3.48Å; E278-Y602 VanDerWaalsContact CB-OH 3.26Å; E278-Y602 WeakPolarHBondContact CB-OH 3.47Å
279	F	97.1	Very high	95	Very high	33 Å²	33	41 Å²	41	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-48.2	174	169.7	-105.3	0	0	0	111.7	D275 A276 V277 L281 G282 G285 L288 Y339 K342 L343	D275-F279 WeakPolarHBondContact O-CB 3.24Å; D275-F279 PolarHBondContact O-N 3.39Å; A276-F279 PolarHBondContact O-N 3.18Å; V277-F279 VanDerWaalsContact C-N 3.34Å; V277-F279 PolarHBondContact O-N 3.22Å; F279-L281 PolarHBondContact O-N 3.04Å; F279-G282 PolarHBondContact O-N 3.08Å; F279-G282 VanDerWaalsContact O-N 3.12Å; F279-G285 WeakPolarHBondContact O-CA 3.04Å; F279-L288 HydrophobicContact CE1-CD2 3.75Å; F279-L288 HydrophobicContact CZ-CD2 4.06Å; F279-Y339 HydrophobicContact CE1-CD1 4.37Å; F279-Y339 HydrophobicContact CE1-CG 4.17Å; F279-Y339 AromaticContact CE2-CD1 3.75Å; F279-Y339 HydrophobicContact CE2-CD1 3.75Å; F279-Y339 HydrophobicContact CE2-CE1 4.14Å; F279-Y339 HydrophobicContact CE2-CG 4.35Å; F279-Y339 AromaticContact CZ-CD1 3.36Å; F279-Y339 HydrophobicContact CZ-CD1 3.36Å; F279-Y339 HydrophobicContact CZ-CD2 4.19Å; F279-Y339 AromaticContact CZ-CE1 3.79Å; F279-Y339 HydrophobicContact CZ-CE1 3.79Å; F279-Y339 AromaticContact CZ-CG 3.56Å; F279-Y339 HydrophobicContact CZ-CG 3.56Å; F279-K342 HydrophobicContact CB-CB 4.13Å; F279-K342 HydrophobicContact CD1-CB 4.26Å; F279-K342 HydrophobicContact CD2-CB 3.92Å; F279-K342 HydrophobicContact CD2-CG 4Å; F279-K342 HydrophobicContact CE2-CB 4.43Å; F279-K342 HydrophobicContact CE2-CG 4.44Å; F279-K342 HydrophobicContact CG-CB 3.83Å; F279-K342 HydrophobicContact CG-CG 4.39Å; F279-L343 HydrophobicContact CD1-CD2 3.74Å; F279-L343 HydrophobicContact CD1-CG 4.13Å; F279-L343 HydrophobicContact CE1-CD1 4.18Å; F279-L343 HydrophobicContact CE1-CD2 4.13Å; F279-L343 HydrophobicContact CE1-CG 4.11Å
280	F	97.1	Very high	95.2	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-23.6	178.5	-75.5	-51.5	0	0	0	114.3	A276 V277 E278 G285 T286 L288 L289 I292 L343 L518 A522	A276-F280 WeakPolarHBondContact O-CD2 3.4Å; A276-F280 PolarHBondContact O-N 2.8Å; V277-F280 PolarHBondContact O-N 3.35Å; E278-F280 PolarHBondContact O-N 3.25Å; F280-G285 CarbonylContact O-C 3.58Å; F280-T286 WeakPolarHBondContact O-CA 3.03Å; F280-T286 PolarHBondContact O-N 3.06Å; F280-T286 PolarHBondContact O-OG1 2.82Å; F280-L288 HydrophobicContact CE1-CD2 4.28Å; F280-L289 HydrophobicContact CB-CD2 4.47Å; F280-L289 HydrophobicContact CD1-CB 3.97Å; F280-L289 HydrophobicContact CD1-CD1 4.27Å; F280-L289 HydrophobicContact CG-CD1 4.37Å; F280-I292 HydrophobicContact CE1-CD1 3.83Å; F280-I292 HydrophobicContact CZ-CD1 4.14Å; F280-L343 HydrophobicContact CD2-CD2 4.45Å; F280-L343 HydrophobicContact CE1-CD1 4.49Å; F280-L343 HydrophobicContact CE1-CD2 4.18Å; F280-L343 HydrophobicContact CE2-CD2 3.69Å; F280-L343 HydrophobicContact CZ-CD1 4.18Å; F280-L343 HydrophobicContact CZ-CD2 3.53Å; F280-L518 HydrophobicContact CD2-CB 4.33Å; F280-L518 HydrophobicContact CE2-CB 3.85Å; F280-A522 HydrophobicContact CB-CB 3.65Å; F280-A522 HydrophobicContact CG-CB 4.46Å
281	L	95.7	Very high	95.2	Very high	57 Å²	57	45 Å²	45	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-83.5	-15.1	176.7	-69.3	171.8	0	0	0	113.4	V277 E278 F279 T286 A522 A525 K526 Y602	V277-L281 HydrophobicContact CG1-CD1 4.06Å; V277-L281 WeakPolarHBondContact O-CG 3.2Å; V277-L281 PolarHBondContact O-N 3.5Å; V277-L281 VanDerWaalsContact O-N 3.11Å; E278-L281 PolarHBondContact O-N 3.47Å; F279-L281 PolarHBondContact O-N 3.04Å; L281-T286 PolarHBondContact O-OG1 2.89Å; L281-A522 HydrophobicContact CD2-CB 4.41Å; L281-A522 WeakPolarHBondContact CD2-O 3.5Å; L281-A522 HydrophobicContact CG-CB 4.41Å; L281-A525 HydrophobicContact CD1-CB 4.09Å; L281-K526 HydrophobicContact CD2-CB 3.82Å; L281-Y602 HydrophobicContact CD1-CD1 4.11Å; L281-Y602 HydrophobicContact CD1-CE1 3.54Å; L281-Y602 HydrophobicContact CD1-CE2 4.38Å
282	G	92.1	Very high	95.3	Very high	35 Å²	35	43 Å²	43	36%	0.361	24%	0.239	S	C	.	.	S	Bend	trans	-113.4	139.5	-171.9	0	0	0	0	0	115	E278 F279 K284 G285 T286	E278-G282 PolarHBondContact O-N 2.88Å; F279-G282 PolarHBondContact O-N 3.08Å; F279-G282 VanDerWaalsContact O-N 3.12Å; G282-K284 PolarHBondContact O-N 2.88Å; G282-G285 WeakPolarHBondContact O-CA 3.31Å; G282-G285 PolarHBondContact O-N 3.08Å; G282-T286 PolarHBondContact O-N 2.99Å
283	G	87.6	Confident	95.4	Very high	71 Å²	71	43 Å²	43	73%	0.732	24%	0.239	S	C	*	.	H	α-helix	trans	44.3	-117.8	164.9	0	0	0	0	0	115.1	G285 T286	G283-G285 VanDerWaalsContact C-N 3.28Å; G283-G285 PolarHBondContact O-N 3.46Å; G283-T286 PolarHBondContact O-N 3.36Å
284	K	90.4	Very high	95.4	Very high	155 Å²	155	46.4 Å²	46.4	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-62.4	-30.7	178.7	-67.1	-175.4	178	-178.1	0	113.3	G282 T286 Q287 L288	G282-K284 PolarHBondContact O-N 2.88Å; K284-T286 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 3.18Å; K284-Q287 PolarHBondContact O-N 2.71Å; K284-L288 PolarHBondContact O-N 2.8Å
285	G	93.4	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-30.8	-179.5	0	0	0	0	0	112.8	F279 F280 G282 G283 Q287 L288 L289	F279-G285 WeakPolarHBondContact O-CA 3.04Å; F280-G285 CarbonylContact O-C 3.58Å; G282-G285 WeakPolarHBondContact O-CA 3.31Å; G282-G285 PolarHBondContact O-N 3.08Å; G283-G285 VanDerWaalsContact C-N 3.28Å; G283-G285 PolarHBondContact O-N 3.46Å; G285-Q287 PolarHBondContact O-N 3.49Å; G285-L288 PolarHBondContact O-N 3.22Å; G285-L289 VanDerWaalsContact O-CB 3.28Å; G285-L289 WeakPolarHBondContact O-CB 3.28Å; G285-L289 PolarHBondContact O-N 2.92Å
286	T	94.7	Very high	95.4	Very high	50 Å²	50	44 Å²	44	31%	0.307	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-40.5	173.7	-56.8	0	0	0	0	112.1	F280 L281 G282 G283 K284 S290	F280-T286 WeakPolarHBondContact O-CA 3.03Å; F280-T286 PolarHBondContact O-N 3.06Å; F280-T286 PolarHBondContact O-OG1 2.82Å; L281-T286 PolarHBondContact O-OG1 2.89Å; G282-T286 PolarHBondContact O-N 2.99Å; G283-T286 PolarHBondContact O-N 3.36Å; K284-T286 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 3.18Å; T286-S290 PolarHBondContact O-N 3.05Å
287	Q	95	Very high	95.3	Very high	121 Å²	121	51.3 Å²	51.3	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-67.6	-48.4	175.3	-174.1	-179.5	-14.5	0	0	110.2	K284 G285 L289 S290 E291	K284-Q287 PolarHBondContact O-N 2.71Å; G285-Q287 PolarHBondContact O-N 3.49Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.02Å; Q287-S290 WeakPolarHBondContact O-CB 3.47Å; Q287-S290 PolarHBondContact O-N 2.75Å; Q287-S290 PolarHBondContact O-OG 3.23Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.28Å; Q287-E291 PolarHBondContact NE2-OE1 3.43Å; Q287-E291 PolarHBondContact O-N 2.84Å; Q287-E291 VanDerWaalsContact O-N 3.12Å
288	L	96	Very high	95.2	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-56.8	-41.5	176.6	-176.7	69.8	0	0	0	112.1	F279 F280 K284 G285 S290 E291 I292 M335 Y339 L343	F279-L288 HydrophobicContact CE1-CD2 3.75Å; F279-L288 HydrophobicContact CZ-CD2 4.06Å; F280-L288 HydrophobicContact CE1-CD2 4.28Å; K284-L288 PolarHBondContact O-N 2.8Å; G285-L288 PolarHBondContact O-N 3.22Å; L288-S290 VanDerWaalsContact C-N 3.28Å; L288-S290 PolarHBondContact O-N 2.75Å; L288-E291 PolarHBondContact O-N 3.48Å; L288-I292 HydrophobicContact CD1-CD1 4.12Å; L288-I292 HydrophobicContact CD1-CG1 4.17Å; L288-I292 HydrophobicContact CD2-CD1 3.97Å; L288-I292 HydrophobicContact CG-CD1 3.64Å; L288-I292 HydrophobicContact CG-CG1 4.09Å; L288-I292 WeakPolarHBondContact O-CB 3.24Å; L288-I292 WeakPolarHBondContact O-CG1 3.4Å; L288-I292 PolarHBondContact O-N 3.39Å; L288-M335 HydrophobicContact CD1-CB 4.15Å; L288-M335 HydrophobicContact CD1-CE 4.02Å; L288-Y339 HydrophobicContact CD1-CE2 4.14Å; L288-Y339 HydrophobicContact CD2-CD2 3.53Å; L288-Y339 HydrophobicContact CD2-CE2 3.68Å; L288-Y339 HydrophobicContact CD2-CG 4.29Å; L288-Y339 HydrophobicContact CG-CE2 4.4Å; L288-L343 HydrophobicContact CD2-CD1 4.25Å
289	L	96.2	Very high	95	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-56.1	-43.9	175.9	175.4	64.7	0	0	0	111.2	F280 G285 Q287 R293 C519 A522 M523	F280-L289 HydrophobicContact CB-CD2 4.47Å; F280-L289 HydrophobicContact CD1-CB 3.97Å; F280-L289 HydrophobicContact CD1-CD1 4.27Å; F280-L289 HydrophobicContact CG-CD1 4.37Å; G285-L289 VanDerWaalsContact O-CB 3.28Å; G285-L289 WeakPolarHBondContact O-CB 3.28Å; G285-L289 PolarHBondContact O-N 2.92Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.02Å; L289-R293 HydrophobicContact CD1-CG 4.3Å; L289-R293 WeakPolarHBondContact O-CB 3.34Å; L289-R293 WeakPolarHBondContact O-CG 3.04Å; L289-R293 PolarHBondContact O-N 3.34Å; L289-C519 HydrophobicContact CD1-CB 3.55Å; L289-C519 WeakPolarHBondContact CD1-SG 3.43Å; L289-A522 HydrophobicContact CD2-CB 4.33Å; L289-M523 HydrophobicContact CD2-SD 4.08Å
290	S	95.4	Very high	94.7	Very high	65 Å²	65	53.4 Å²	53.4	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-44.3	178.4	74.5	0	0	0	0	111.7	T286 Q287 L288 R293 T294	T286-S290 PolarHBondContact O-N 3.05Å; Q287-S290 WeakPolarHBondContact O-CB 3.47Å; Q287-S290 PolarHBondContact O-N 2.75Å; Q287-S290 PolarHBondContact O-OG 3.23Å; L288-S290 VanDerWaalsContact C-N 3.28Å; L288-S290 PolarHBondContact O-N 2.75Å; S290-R293 PolarHBondContact O-N 2.91Å; S290-T294 WeakPolarHBondContact O-CG2 3.41Å; S290-T294 PolarHBondContact O-N 2.65Å
291	E	96.4	Very high	94.2	Very high	76 Å²	76	56.2 Å²	56.2	36%	0.355	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-47.7	179.4	-61.7	171.3	-172.9	0	0	111	Q287 L288 R293 T294 V295 M335	Q287-E291 WeakPolarHBondContact CG-OE1 3.28Å; Q287-E291 PolarHBondContact NE2-OE1 3.43Å; Q287-E291 PolarHBondContact O-N 2.84Å; Q287-E291 VanDerWaalsContact O-N 3.12Å; L288-E291 PolarHBondContact O-N 3.48Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 3.43Å; E291-T294 WeakPolarHBondContact O-CB 3.17Å; E291-T294 PolarHBondContact O-N 2.98Å; E291-T294 PolarHBondContact O-OG1 3.04Å; E291-V295 PolarHBondContact O-N 3.35Å; E291-M335 HydrophobicContact CB-CE 3.26Å; E291-M335 HydrophobicContact CG-CE 4.44Å
292	I	97.2	Very high	93.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-45.9	176.5	-77	175.2	0	0	0	110.6	F280 L288 T294 V295 L296 L332 M335 C336 I515	F280-I292 HydrophobicContact CE1-CD1 3.83Å; F280-I292 HydrophobicContact CZ-CD1 4.14Å; L288-I292 HydrophobicContact CD1-CD1 4.12Å; L288-I292 HydrophobicContact CD1-CG1 4.17Å; L288-I292 HydrophobicContact CD2-CD1 3.97Å; L288-I292 HydrophobicContact CG-CD1 3.64Å; L288-I292 HydrophobicContact CG-CG1 4.09Å; L288-I292 WeakPolarHBondContact O-CB 3.24Å; L288-I292 WeakPolarHBondContact O-CG1 3.4Å; L288-I292 PolarHBondContact O-N 3.39Å; I292-T294 VanDerWaalsContact C-N 3.26Å; I292-T294 PolarHBondContact O-N 3.34Å; I292-V295 PolarHBondContact O-N 3.06Å; I292-V295 VanDerWaalsContact O-N 3.08Å; I292-L296 HydrophobicContact CG2-CD1 3.57Å; I292-L296 HydrophobicContact CG2-CG 4.02Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 2.75Å; I292-L332 HydrophobicContact CB-CD2 4.24Å; I292-L332 HydrophobicContact CG1-CD2 4.16Å; I292-L332 HydrophobicContact CG2-CD2 3.79Å; I292-M335 HydrophobicContact CG1-CE 4.09Å; I292-C336 VanDerWaalsContact CD1-SG 3.59Å; I292-I515 HydrophobicContact CD1-CG2 4.28Å; I292-I515 HydrophobicContact CG2-CG2 3.8Å
293	R	96.7	Very high	92.9	Very high	47 Å²	47	56.2 Å²	56.2	18%	0.177	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-31.1	178	-74.2	177.6	68	73.8	-0.2	112.6	H246 L248 L289 S290 E291 K297	H246-R293 PolarHBondContact O-NH1 3.29Å; L248-R293 HydrophobicContact CD1-CB 3.73Å; L248-R293 HydrophobicContact CD1-CG 3.99Å; L248-R293 WeakPolarHBondContact CD1-O 3.33Å; L289-R293 HydrophobicContact CD1-CG 4.3Å; L289-R293 WeakPolarHBondContact O-CB 3.34Å; L289-R293 WeakPolarHBondContact O-CG 3.04Å; L289-R293 PolarHBondContact O-N 3.34Å; S290-R293 PolarHBondContact O-N 2.91Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 3.43Å; R293-K297 WeakPolarHBondContact O-CG 3.35Å
294	T	96.7	Very high	92.5	Very high	83 Å²	83	58 Å²	58	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-68.3	-36.7	173.3	69.9	0	0	0	0	112.4	S290 E291 I292	S290-T294 WeakPolarHBondContact O-CG2 3.41Å; S290-T294 PolarHBondContact O-N 2.65Å; E291-T294 WeakPolarHBondContact O-CB 3.17Å; E291-T294 PolarHBondContact O-N 2.98Å; E291-T294 PolarHBondContact O-OG1 3.04Å; I292-T294 VanDerWaalsContact C-N 3.26Å; I292-T294 PolarHBondContact O-N 3.34Å
295	V	97.2	Very high	92.3	Very high	14 Å²	14	51 Å²	51	9%	0.085	25%	0.25	C	C	.	.	H	α-helix	trans	-74.8	-42.7	179.3	-178	0	0	0	0	111.4	E291 I292 K297 R298 A328 A331 L332 M335	E291-V295 PolarHBondContact O-N 3.35Å; I292-V295 PolarHBondContact O-N 3.06Å; I292-V295 VanDerWaalsContact O-N 3.08Å; V295-K297 PolarHBondContact O-N 2.67Å; V295-K297 VanDerWaalsContact O-N 3.14Å; V295-R298 WeakPolarHBondContact O-CB 3.5Å; V295-R298 PolarHBondContact O-N 2.76Å; V295-A328 HydrophobicContact CG1-CB 3.78Å; V295-A328 VanDerWaalsContact CG1-O 3.28Å; V295-A328 WeakPolarHBondContact CG1-O 3.13Å; V295-A331 HydrophobicContact CG1-CB 4.01Å; V295-L332 HydrophobicContact CB-CD2 4.1Å; V295-L332 HydrophobicContact CB-CG 4.3Å; V295-L332 HydrophobicContact CG1-CD1 4.37Å; V295-L332 HydrophobicContact CG1-CD2 4.1Å; V295-L332 HydrophobicContact CG1-CG 3.73Å; V295-M335 HydrophobicContact CG2-SD 3.92Å
296	L	96.7	Very high	91.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.6	-31.9	178.5	-77.6	170.1	0	0	0	113.2	L248 T249 I292 R298 V299 L332 D516	L248-L296 HydrophobicContact CB-CB 4.24Å; L248-L296 HydrophobicContact CD1-CB 4.26Å; T249-L296 HydrophobicContact CG2-CB 4.22Å; T249-L296 HydrophobicContact CG2-CD2 3.99Å; T249-L296 WeakPolarHBondContact CG2-O 3.31Å; I292-L296 HydrophobicContact CG2-CD1 3.57Å; I292-L296 HydrophobicContact CG2-CG 4.02Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 2.75Å; L296-R298 PolarHBondContact O-N 2.87Å; L296-R298 VanDerWaalsContact O-N 3.09Å; L296-V299 HydrophobicContact CD2-CG2 4.5Å; L296-V299 WeakPolarHBondContact O-CB 3.49Å; L296-V299 PolarHBondContact O-N 2.85Å; L296-L332 HydrophobicContact CD2-CD1 3.7Å; L296-L332 HydrophobicContact CD2-CD2 4.43Å; L296-L332 HydrophobicContact CG-CD1 4.29Å; L296-L332 HydrophobicContact CG-CD2 4.24Å; L296-D516 HydrophobicContact CD1-CB 3.98Å; L296-D516 HydrophobicContact CD2-CB 4.08Å
297	K	95.4	Very high	90.9	Very high	154 Å²	154	53.7 Å²	53.7	67%	0.67	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.5	175.7	-71	179.7	-178.8	-178.1	0	114.1	L248 R293 V295	L248-K297 HydrophobicContact CD1-CG 4.1Å; R293-K297 WeakPolarHBondContact O-CG 3.35Å; V295-K297 PolarHBondContact O-N 2.67Å; V295-K297 VanDerWaalsContact O-N 3.14Å
298	R	94.5	Very high	90.3	Very high	150 Å²	150	51.3 Å²	51.3	57%	0.566	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.5	-179.2	-57.7	178.8	-173.7	175	1.4	112.9	V295 L296 G300 A328	V295-R298 WeakPolarHBondContact O-CB 3.5Å; V295-R298 PolarHBondContact O-N 2.76Å; L296-R298 PolarHBondContact O-N 2.87Å; L296-R298 VanDerWaalsContact O-N 3.09Å; R298-G300 PolarHBondContact O-N 2.96Å; R298-A328 HydrophobicContact CB-CB 4.02Å
299	V	94.2	Very high	89.8	Confident	12 Å²	12	51 Å²	51	7%	0.073	25%	0.246	C	C	.	.			trans	-77.3	112.6	179	177	0	0	0	0	109.1	T249 L296 T325 A328 M329 L332	T249-V299 HydrophobicContact CG2-CB 3.78Å; T249-V299 HydrophobicContact CG2-CG1 4.03Å; L296-V299 HydrophobicContact CD2-CG2 4.5Å; L296-V299 WeakPolarHBondContact O-CB 3.49Å; L296-V299 PolarHBondContact O-N 2.85Å; V299-T325 HydrophobicContact CG1-CG2 4.15Å; V299-A328 HydrophobicContact CG2-CB 3.69Å; V299-M329 HydrophobicContact CG1-CE 4.19Å; V299-L332 HydrophobicContact CG2-CD1 4.17Å
300	G	90.2	Very high	89.1	Confident	14 Å²	14	55.8 Å²	55.8	14%	0.144	27%	0.268	C	S	.	.			trans	-77.8	179.6	175.1	0	0	0	0	0	113.2	R298 T302 T325	R298-G300 PolarHBondContact O-N 2.96Å; G300-T302 PolarHBondContact O-N 3.36Å; G300-T325 WeakPolarHBondContact CA-OG1 3.34Å; G300-T325 PolarHBondContact N-OG1 2.87Å
301	N	87.2	Confident	88.3	Confident	59 Å²	59	56.9 Å²	56.9	32%	0.316	27%	0.272	S	S	.	.			trans	-78.7	86.1	174.2	-171.6	-32.8	0	0	0	110.4	T250 Q303 K304 I305	T250-N301 WeakPolarHBondContact OG1-CB 3.33Å; T250-N301 PolarHBondContact OG1-ND2 3.14Å; N301-Q303 PolarHBondContact O-N 2.97Å; N301-K304 HydrophobicContact CB-CB 4.14Å; N301-K304 PolarHBondContact O-N 3.21Å; N301-K304 VanDerWaalsContact OD1-CB 3.26Å; N301-K304 WeakPolarHBondContact OD1-CB 3.28Å; N301-K304 PolarHBondContact OD1-N 2.65Å; N301-I305 WeakPolarHBondContact O-CG1 3.3Å; N301-I305 PolarHBondContact O-N 3.08Å
302	T	84.4	Confident	87.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-47.4	-176.1	-47.6	0	0	0	0	112.4	Q251 G300 K304 I305 I306 I322 T325 M329 I505	Q251-T302 PolarHBondContact OE1-OG1 3.41Å; G300-T302 PolarHBondContact O-N 3.36Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 3.21Å; T302-I305 PolarHBondContact O-N 2.8Å; T302-I306 HydrophobicContact CG2-CD1 3.68Å; T302-I306 HydrophobicContact CG2-CG1 4.34Å; T302-I306 WeakPolarHBondContact O-CG1 3.29Å; T302-I306 PolarHBondContact O-N 3.39Å; T302-I322 HydrophobicContact CG2-CD1 4.31Å; T302-T325 WeakPolarHBondContact OG1-CG2 3.41Å; T302-M329 WeakPolarHBondContact OG1-CE 3.24Å; T302-I505 HydrophobicContact CG2-CG2 3.49Å; T302-I505 VanDerWaalsContact CG2-CG2 3.49Å
303	Q	76.2	Confident	87.1	Confident	93 Å²	93	59.7 Å²	59.7	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-42.7	-177.1	-69	-178.3	4.5	0	0	112	N301 I305 I306 L307 L506	N301-Q303 PolarHBondContact O-N 2.97Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 3.32Å; Q303-I306 PolarHBondContact O-N 2.86Å; Q303-L307 WeakPolarHBondContact O-CB 3.49Å; Q303-L307 PolarHBondContact O-N 3.03Å; Q303-L506 HydrophobicContact CG-CD2 3.92Å
304	K	79.4	Confident	86.5	Confident	109 Å²	109	58.6 Å²	58.6	47%	0.474	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-39.1	177.5	-175.2	-177.6	178.3	-173	0	112.2	N301 T302 R308	N301-K304 HydrophobicContact CB-CB 4.14Å; N301-K304 PolarHBondContact O-N 3.21Å; N301-K304 VanDerWaalsContact OD1-CB 3.26Å; N301-K304 WeakPolarHBondContact OD1-CB 3.28Å; N301-K304 PolarHBondContact OD1-N 2.65Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 3.21Å; K304-R308 WeakPolarHBondContact O-CG 3.47Å; K304-R308 PolarHBondContact O-N 3.05Å; K304-R308 VanDerWaalsContact O-N 3.14Å
305	I	86.1	Confident	86.2	Confident	6 Å²	6	58 Å²	58	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-68.8	-47.7	179.3	-67.6	165.9	0	0	0	110.4	N301 T302 Q303 L307 R308 M309 D318 I321 I322	N301-I305 WeakPolarHBondContact O-CG1 3.3Å; N301-I305 PolarHBondContact O-N 3.08Å; T302-I305 PolarHBondContact O-N 2.8Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 3.32Å; I305-L307 VanDerWaalsContact C-N 3.29Å; I305-L307 PolarHBondContact O-N 3.37Å; I305-R308 PolarHBondContact O-N 2.94Å; I305-R308 VanDerWaalsContact O-N 3.13Å; I305-M309 HydrophobicContact CG2-CE 3.65Å; I305-M309 HydrophobicContact CG2-CG 4.48Å; I305-M309 HydrophobicContact CG2-SD 3.95Å; I305-M309 WeakPolarHBondContact O-CG 3.41Å; I305-M309 PolarHBondContact O-N 3.1Å; I305-D318 HydrophobicContact CG1-CB 4.36Å; I305-D318 HydrophobicContact CG2-CB 4.07Å; I305-I321 HydrophobicContact CD1-CB 3.89Å; I305-I321 HydrophobicContact CD1-CG2 3.46Å; I305-I321 VanDerWaalsContact CD1-CG2 3.46Å; I305-I322 HydrophobicContact CG2-CB 4.33Å; I305-I322 HydrophobicContact CG2-CD1 4.26Å
306	I	82.5	Confident	85.8	Confident	5 Å²	5	59 Å²	59	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-44.4	176.6	-69.8	170.7	0	0	0	110.5	T302 Q303 R308 M309 Q310 L499 T502 I505 L506	T302-I306 HydrophobicContact CG2-CD1 3.68Å; T302-I306 HydrophobicContact CG2-CG1 4.34Å; T302-I306 WeakPolarHBondContact O-CG1 3.29Å; T302-I306 PolarHBondContact O-N 3.39Å; Q303-I306 PolarHBondContact O-N 2.86Å; I306-R308 VanDerWaalsContact C-N 3.33Å; I306-R308 PolarHBondContact O-N 3.44Å; I306-M309 WeakPolarHBondContact O-CB 3.38Å; I306-M309 PolarHBondContact O-N 3.29Å; I306-Q310 HydrophobicContact CG2-CG 4.41Å; I306-Q310 WeakPolarHBondContact O-CG 3.49Å; I306-Q310 PolarHBondContact O-N 3.09Å; I306-L499 HydrophobicContact CG2-CD2 4.49Å; I306-T502 HydrophobicContact CD1-CG2 4.41Å; I306-T502 HydrophobicContact CG2-CG2 3.78Å; I306-I505 HydrophobicContact CD1-CB 4.35Å; I306-I505 HydrophobicContact CD1-CG2 3.91Å; I306-L506 HydrophobicContact CD1-CD2 3.65Å; I306-L506 HydrophobicContact CD1-CG 3.92Å
307	L	76.2	Confident	85.5	Confident	102 Å²	102	61.3 Å²	61.3	53%	0.534	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-43.1	177.5	-177.1	65.9	0	0	0	111.9	Q303 I305 M309 Q310 T311	Q303-L307 WeakPolarHBondContact O-CB 3.49Å; Q303-L307 PolarHBondContact O-N 3.03Å; I305-L307 VanDerWaalsContact C-N 3.29Å; I305-L307 PolarHBondContact O-N 3.37Å; L307-M309 VanDerWaalsContact C-N 3.34Å; L307-Q310 PolarHBondContact O-N 2.81Å; L307-T311 PolarHBondContact O-N 2.88Å; L307-T311 VanDerWaalsContact O-N 3.08Å; L307-T311 PolarHBondContact O-OG1 2.89Å
308	R	80.7	Confident	85.4	Confident	72 Å²	72	54.3 Å²	54.3	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-36.5	176.2	-76.8	177.9	170.2	-176.7	-10.1	112.8	K304 I305 I306 T311 S312 S313 A314 D318	K304-R308 WeakPolarHBondContact O-CG 3.47Å; K304-R308 PolarHBondContact O-N 3.05Å; K304-R308 VanDerWaalsContact O-N 3.14Å; I305-R308 PolarHBondContact O-N 2.94Å; I305-R308 VanDerWaalsContact O-N 3.13Å; I306-R308 VanDerWaalsContact C-N 3.33Å; I306-R308 PolarHBondContact O-N 3.44Å; R308-T311 CarbonylContact O-C 3.46Å; R308-T311 PolarHBondContact O-N 2.73Å; R308-T311 PolarHBondContact O-OG1 3.25Å; R308-S312 PolarHBondContact O-N 3.49Å; R308-S313 CarbonylContact O-C 3.56Å; R308-S313 PolarHBondContact O-N 2.72Å; R308-S313 PolarHBondContact O-OG 2.82Å; R308-A314 PolarHBondContact O-N 2.65Å; R308-D318 VanDerWaalsContact CD-OD2 3.3Å; R308-D318 WeakPolarHBondContact CD-OD2 3.24Å; R308-D318 IonicContact NH1-OD1 2.75Å; R308-D318 PolarHBondContact NH1-OD1 3.46Å; R308-D318 IonicContact NH1-OD2 2.87Å; R308-D318 PolarHBondContact NH1-OD2 3.16Å
309	M	86.6	Confident	85.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-41.8	174.1	-71.4	173.6	172.1	0	0	110.8	I305 I306 L307 T311 S312 A314 W319 I322 Q495 L498 L499	I305-M309 HydrophobicContact CG2-CE 3.65Å; I305-M309 HydrophobicContact CG2-CG 4.48Å; I305-M309 HydrophobicContact CG2-SD 3.95Å; I305-M309 WeakPolarHBondContact O-CG 3.41Å; I305-M309 PolarHBondContact O-N 3.1Å; I306-M309 WeakPolarHBondContact O-CB 3.38Å; I306-M309 PolarHBondContact O-N 3.29Å; L307-M309 VanDerWaalsContact C-N 3.34Å; M309-T311 VanDerWaalsContact C-N 3.26Å; M309-T311 PolarHBondContact O-N 2.85Å; M309-S312 PolarHBondContact O-N 3.44Å; M309-S312 VanDerWaalsContact O-N 3.09Å; M309-A314 HydrophobicContact CG-CB 3.88Å; M309-W319 HydrophobicContact CE-CD2 4.23Å; M309-W319 HydrophobicContact CE-CE3 4.01Å; M309-W319 HydrophobicContact CE-CH2 4.33Å; M309-W319 HydrophobicContact CE-CZ3 4.07Å; M309-I322 HydrophobicContact CE-CG2 4.17Å; M309-Q495 HydrophobicContact CB-CG 3.94Å; M309-Q495 HydrophobicContact CG-CG 4.31Å; M309-Q495 PolarHBondContact O-NE2 3Å; M309-Q495 PolarHBondContact O-OE1 3.11Å; M309-L498 HydrophobicContact CE-CD1 4.44Å; M309-L498 HydrophobicContact SD-CD1 4.24Å; M309-L498 HydrophobicContact SD-CD2 3.73Å; M309-L499 HydrophobicContact CB-CD2 4.14Å
310	Q	80.3	Confident	85.3	Confident	110 Å²	110	50.6 Å²	50.6	51%	0.514	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-32.6	175.2	-72	175.1	-28.3	0	0	113	I306 L307 S312 L499	I306-Q310 HydrophobicContact CG2-CG 4.41Å; I306-Q310 WeakPolarHBondContact O-CG 3.49Å; I306-Q310 PolarHBondContact O-N 3.09Å; L307-Q310 PolarHBondContact O-N 2.81Å; Q310-S312 VanDerWaalsContact C-N 3.34Å; Q310-L499 HydrophobicContact CG-CD1 4.4Å; Q310-L499 HydrophobicContact CG-CD2 3.63Å
311	T	80.5	Confident	85.4	Confident	88 Å²	88	52.7 Å²	52.7	54%	0.54	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.1	176.7	58.5	0	0	0	0	113.7	L307 R308 M309 S313	L307-T311 PolarHBondContact O-N 2.88Å; L307-T311 VanDerWaalsContact O-N 3.08Å; L307-T311 PolarHBondContact O-OG1 2.89Å; R308-T311 CarbonylContact O-C 3.46Å; R308-T311 PolarHBondContact O-N 2.73Å; R308-T311 PolarHBondContact O-OG1 3.25Å; M309-T311 VanDerWaalsContact C-N 3.26Å; M309-T311 PolarHBondContact O-N 2.85Å; T311-S313 PolarHBondContact O-N 2.78Å; T311-S313 VanDerWaalsContact O-N 3.11Å; T311-S313 PolarHBondContact OG1-OG 3.11Å
312	S	81.9	Confident	85.8	Confident	74 Å²	74	49.9 Å²	49.9	52%	0.517	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.8	-176.7	-62.8	0	0	0	0	113.8	R308 M309 Q310 Q495	R308-S312 PolarHBondContact O-N 3.49Å; M309-S312 PolarHBondContact O-N 3.44Å; M309-S312 VanDerWaalsContact O-N 3.09Å; Q310-S312 VanDerWaalsContact C-N 3.34Å; S312-Q495 PolarHBondContact OG-NE2 2.98Å
313	S	85	Confident	86.3	Confident	62 Å²	62	50.4 Å²	50.4	43%	0.434	27%	0.267	S	S	.	.			trans	-123.5	27.6	-177.9	73.4	0	0	0	0	111.8	R308 T311	R308-S313 CarbonylContact O-C 3.56Å; R308-S313 PolarHBondContact O-N 2.72Å; R308-S313 PolarHBondContact O-OG 2.82Å; T311-S313 PolarHBondContact O-N 2.78Å; T311-S313 VanDerWaalsContact O-N 3.11Å; T311-S313 PolarHBondContact OG1-OG 3.11Å
314	A	85.6	Confident	87.2	Confident	24 Å²	24	50.2 Å²	50.2	20%	0.198	27%	0.266	C	S	.	.			trans	-69.7	136.4	176.1	0	0	0	0	0	110.2	R308 M309	R308-A314 PolarHBondContact O-N 2.65Å; M309-A314 HydrophobicContact CG-CB 3.88Å
315	I	89.5	Confident	88	Confident	71 Å²	71	45 Å²	45	36%	0.364	24%	0.244	S	C	.	.			trans	-95	158.5	177	56.6	170.8	0	0	0	110.7	S317 D318	I315-S317 WeakPolarHBondContact CD1-OG 3.5Å; I315-S317 PolarHBondContact O-N 2.91Å; I315-S317 VanDerWaalsContact O-N 3.08Å; I315-D318 HydrophobicContact CG1-CB 4.3Å; I315-D318 VanDerWaalsContact CG1-CG 3.42Å; I315-D318 VanDerWaalsContact CG1-OD2 3.28Å; I315-D318 WeakPolarHBondContact CG1-OD2 3.29Å; I315-D318 PolarHBondContact N-OD2 2.87Å; I315-D318 VanDerWaalsContact O-CB 3.29Å; I315-D318 WeakPolarHBondContact O-CB 3.47Å; I315-D318 PolarHBondContact O-N 3.41Å
316	P	89	Confident	88.5	Confident	35 Å²	35	44.8 Å²	44.8	23%	0.227	24%	0.242	C	C	.	.	H	α-helix	trans	-51.6	-37.5	-178.5	-30.1	35.9	0	0	0	114.4	D318 W319 T375 Q379	P316-D318 VanDerWaalsContact C-N 3.31Å; P316-D318 PolarHBondContact O-N 3.08Å; P316-W319 PolarHBondContact O-N 2.75Å; P316-T375 HydrophobicContact CB-CG2 3.82Å; P316-Q379 WeakPolarHBondContact CG-O 3.37Å
317	S	91	Very high	89.1	Confident	48 Å²	48	47.3 Å²	47.3	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-23.1	178.2	57.6	0	0	0	0	114.2	I315 W319 R320 I321	I315-S317 WeakPolarHBondContact CD1-OG 3.5Å; I315-S317 PolarHBondContact O-N 2.91Å; I315-S317 VanDerWaalsContact O-N 3.08Å; S317-W319 VanDerWaalsContact C-N 3.27Å; S317-W319 PolarHBondContact O-N 3.01Å; S317-R320 PolarHBondContact O-N 3.31Å; S317-I321 WeakPolarHBondContact O-CD1 3.44Å; S317-I321 VanDerWaalsContact O-CG1 3.24Å; S317-I321 WeakPolarHBondContact O-CG1 3.41Å; S317-I321 PolarHBondContact O-N 3.13Å
318	D	92.6	Very high	90.1	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-34.9	177.5	-70.1	-24.8	0	0	0	110.7	I305 R308 I315 P316 I321 I322	I305-D318 HydrophobicContact CG1-CB 4.36Å; I305-D318 HydrophobicContact CG2-CB 4.07Å; R308-D318 VanDerWaalsContact CD-OD2 3.3Å; R308-D318 WeakPolarHBondContact CD-OD2 3.24Å; R308-D318 IonicContact NH1-OD1 2.75Å; R308-D318 PolarHBondContact NH1-OD1 3.46Å; R308-D318 IonicContact NH1-OD2 2.87Å; R308-D318 PolarHBondContact NH1-OD2 3.16Å; I315-D318 HydrophobicContact CG1-CB 4.3Å; I315-D318 VanDerWaalsContact CG1-CG 3.42Å; I315-D318 VanDerWaalsContact CG1-OD2 3.28Å; I315-D318 WeakPolarHBondContact CG1-OD2 3.29Å; I315-D318 PolarHBondContact N-OD2 2.87Å; I315-D318 VanDerWaalsContact O-CB 3.29Å; I315-D318 WeakPolarHBondContact O-CB 3.47Å; I315-D318 PolarHBondContact O-N 3.41Å; P316-D318 VanDerWaalsContact C-N 3.31Å; P316-D318 PolarHBondContact O-N 3.08Å; D318-I321 PolarHBondContact O-N 2.95Å; D318-I322 PolarHBondContact O-N 2.99Å
319	W	93.3	Very high	90.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-42.5	176.8	-67.7	105.1	0	0	0	113	M309 P316 S317 I322 I323 L366 I370 F381 M491 L494 Q495 L498	M309-W319 HydrophobicContact CE-CD2 4.23Å; M309-W319 HydrophobicContact CE-CE3 4.01Å; M309-W319 HydrophobicContact CE-CH2 4.33Å; M309-W319 HydrophobicContact CE-CZ3 4.07Å; P316-W319 PolarHBondContact O-N 2.75Å; S317-W319 VanDerWaalsContact C-N 3.27Å; S317-W319 PolarHBondContact O-N 3.01Å; W319-I322 VanDerWaalsContact O-CG2 3.24Å; W319-I322 WeakPolarHBondContact O-CG2 3.21Å; W319-I323 WeakPolarHBondContact O-CD1 3.49Å; W319-I323 VanDerWaalsContact O-CG1 3.31Å; W319-I323 WeakPolarHBondContact O-CG1 3.35Å; W319-I323 PolarHBondContact O-N 2.71Å; W319-L366 HydrophobicContact CE3-CD2 4.28Å; W319-L366 HydrophobicContact CZ3-CD2 3.96Å; W319-I370 HydrophobicContact CB-CD1 4.08Å; W319-I370 HydrophobicContact CD2-CD1 3.93Å; W319-I370 HydrophobicContact CE3-CD1 3.48Å; W319-I370 VanDerWaalsContact CE3-CD1 3.48Å; W319-I370 HydrophobicContact CG-CD1 4.21Å; W319-I370 HydrophobicContact CZ3-CD1 4.19Å; W319-F381 AromaticContact CD1-CD2 3.71Å; W319-F381 HydrophobicContact CD2-CD2 4.21Å; W319-F381 AromaticContact CD2-CE2 3.87Å; W319-F381 HydrophobicContact CD2-CE2 3.87Å; W319-F381 AromaticContact CE2-CD2 3.92Å; W319-F381 AromaticContact CE2-CE2 3.77Å; W319-F381 HydrophobicContact CE3-CE2 4.38Å; W319-F381 HydrophobicContact CG-CD2 4.08Å; W319-F381 HydrophobicContact CG-CE2 4.11Å; W319-F381 HydrophobicContact CZ2-CE2 4.21Å; W319-F381 AromaticContact NE1-CD2 3.58Å; W319-F381 AromaticContact NE1-CE2 3.94Å; W319-M491 HydrophobicContact CZ2-CG 3.6Å; W319-M491 HydrophobicContact CZ2-SD 4.49Å; W319-L494 HydrophobicContact CE3-CD2 4.41Å; W319-L494 HydrophobicContact CH2-CB 4.36Å; W319-L494 HydrophobicContact CH2-CD2 4.21Å; W319-L494 HydrophobicContact CH2-CG 4.31Å; W319-L494 HydrophobicContact CZ3-CD2 3.85Å; W319-L494 HydrophobicContact CZ3-CG 4.13Å; W319-Q495 HydrophobicContact CH2-CB 4.02Å; W319-Q495 HydrophobicContact CZ2-CB 4.35Å; W319-L498 HydrophobicContact CZ3-CD1 4.38Å
320	R	93	Very high	91.2	Very high	81 Å²	81	42 Å²	42	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-43.8	174.1	-176.2	-177.6	65	173.2	-13.9	110.9	S317 I323 H324 E376	S317-R320 PolarHBondContact O-N 3.31Å; R320-I323 PolarHBondContact O-N 3.24Å; R320-H324 PolarHBondContact O-CD2 3.09Å; R320-H324 VanDerWaalsContact O-CD2 3.24Å; R320-H324 PolarHBondContact O-N 3.38Å; R320-H324 VanDerWaalsContact O-N 3.07Å; R320-E376 VanDerWaalsContact CZ-CD 3.46Å; R320-E376 IonicContact CZ-OE1 2.7Å; R320-E376 IonicContact CZ-OE2 2.81Å; R320-E376 IonicContact NH1-OE1 2.7Å; R320-E376 PolarHBondContact NH1-OE1 2.78Å; R320-E376 IonicContact NH1-OE2 2.87Å; R320-E376 PolarHBondContact NH1-OE2 2.8Å; R320-E376 IonicContact NH2-OE1 3.5Å; R320-E376 PolarHBondContact NH2-OE1 2.79Å; R320-E376 IonicContact NH2-OE2 3.21Å
321	I	93.7	Very high	91.9	Very high	58 Å²	58	38.4 Å²	38.4	30%	0.297	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-42.8	-179.1	-63.7	163.5	0	0	0	110.6	I305 S317 D318 I323 H324 T325	I305-I321 HydrophobicContact CD1-CB 3.89Å; I305-I321 HydrophobicContact CD1-CG2 3.46Å; I305-I321 VanDerWaalsContact CD1-CG2 3.46Å; S317-I321 WeakPolarHBondContact O-CD1 3.44Å; S317-I321 VanDerWaalsContact O-CG1 3.24Å; S317-I321 WeakPolarHBondContact O-CG1 3.41Å; S317-I321 PolarHBondContact O-N 3.13Å; D318-I321 PolarHBondContact O-N 2.95Å; I321-I323 PolarHBondContact O-N 3.03Å; I321-H324 PolarHBondContact O-N 3.4Å; I321-T325 WeakPolarHBondContact O-CB 3.43Å; I321-T325 PolarHBondContact O-N 3.32Å; I321-T325 PolarHBondContact O-OG1 3.24Å
322	I	94.6	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-40.1	179	-161.6	67.7	0	0	0	111.2	T302 I305 M309 D318 W319 T325 L326 L366 L498	T302-I322 HydrophobicContact CG2-CD1 4.31Å; I305-I322 HydrophobicContact CG2-CB 4.33Å; I305-I322 HydrophobicContact CG2-CD1 4.26Å; M309-I322 HydrophobicContact CE-CG2 4.17Å; D318-I322 PolarHBondContact O-N 2.99Å; W319-I322 VanDerWaalsContact O-CG2 3.24Å; W319-I322 WeakPolarHBondContact O-CG2 3.21Å; I322-T325 WeakPolarHBondContact O-CB 3.49Å; I322-T325 PolarHBondContact O-N 3.48Å; I322-L326 HydrophobicContact CG1-CD1 4.21Å; I322-L326 HydrophobicContact CG1-CG 4.42Å; I322-L326 WeakPolarHBondContact O-CB 3.35Å; I322-L326 WeakPolarHBondContact O-CG 3.48Å; I322-L326 PolarHBondContact O-N 3.49Å; I322-L366 HydrophobicContact CG2-CD1 4.09Å; I322-L498 HydrophobicContact CG1-CD1 4.46Å
323	I	95.5	Very high	93.3	Very high	11 Å²	11	31 Å²	31	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-51.2	176.1	-70	166.7	0	0	0	111	W319 R320 I321 T325 L326 D327 L366 I367 I370 T372	W319-I323 WeakPolarHBondContact O-CD1 3.49Å; W319-I323 VanDerWaalsContact O-CG1 3.31Å; W319-I323 WeakPolarHBondContact O-CG1 3.35Å; W319-I323 PolarHBondContact O-N 2.71Å; R320-I323 PolarHBondContact O-N 3.24Å; I321-I323 PolarHBondContact O-N 3.03Å; I323-T325 PolarHBondContact O-N 2.91Å; I323-L326 PolarHBondContact O-N 2.84Å; I323-D327 PolarHBondContact O-N 2.85Å; I323-L366 HydrophobicContact CD1-CB 4.04Å; I323-L366 HydrophobicContact CG1-CB 3.8Å; I323-L366 HydrophobicContact CG1-CD1 3.98Å; I323-I367 HydrophobicContact CD1-CG1 4.48Å; I323-I367 HydrophobicContact CG2-CD1 3.95Å; I323-I367 HydrophobicContact CG2-CG1 3.67Å; I323-I370 HydrophobicContact CD1-CD1 4.27Å; I323-T372 HydrophobicContact CD1-CG2 3.57Å
324	H	94.6	Very high	93.8	Very high	90 Å²	90	32.4 Å²	32.4	42%	0.417	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-34.3	177.2	-71.4	-48.5	0	0	0	112.6	R320 I321 A328	R320-H324 PolarHBondContact O-CD2 3.09Å; R320-H324 VanDerWaalsContact O-CD2 3.24Å; R320-H324 PolarHBondContact O-N 3.38Å; R320-H324 VanDerWaalsContact O-N 3.07Å; I321-H324 PolarHBondContact O-N 3.4Å; H324-A328 VanDerWaalsContact O-CB 3.32Å; H324-A328 WeakPolarHBondContact O-CB 3.41Å; H324-A328 PolarHBondContact O-N 3.45Å
325	T	95.7	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-44.7	177.8	-61.2	0	0	0	0	111.2	V299 G300 T302 I321 I322 I323 A328 M329	V299-T325 HydrophobicContact CG1-CG2 4.15Å; G300-T325 WeakPolarHBondContact CA-OG1 3.34Å; G300-T325 PolarHBondContact N-OG1 2.87Å; T302-T325 WeakPolarHBondContact OG1-CG2 3.41Å; I321-T325 WeakPolarHBondContact O-CB 3.43Å; I321-T325 PolarHBondContact O-N 3.32Å; I321-T325 PolarHBondContact O-OG1 3.24Å; I322-T325 WeakPolarHBondContact O-CB 3.49Å; I322-T325 PolarHBondContact O-N 3.48Å; I323-T325 PolarHBondContact O-N 2.91Å; T325-A328 PolarHBondContact O-N 3.43Å; T325-M329 HydrophobicContact CG2-CE 3.49Å; T325-M329 VanDerWaalsContact CG2-CE 3.49Å; T325-M329 HydrophobicContact CG2-SD 4.09Å; T325-M329 WeakPolarHBondContact O-CB 3.45Å; T325-M329 VanDerWaalsContact O-CG 3.25Å; T325-M329 WeakPolarHBondContact O-CG 3.31Å; T325-M329 PolarHBondContact O-N 3.43Å
326	L	96.4	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-40.9	176	-67.4	166.1	0	0	0	111.4	I322 I323 M329 E330 I359 V362 K363 L366 I505	I322-L326 HydrophobicContact CG1-CD1 4.21Å; I322-L326 HydrophobicContact CG1-CG 4.42Å; I322-L326 WeakPolarHBondContact O-CB 3.35Å; I322-L326 WeakPolarHBondContact O-CG 3.48Å; I322-L326 PolarHBondContact O-N 3.49Å; I323-L326 PolarHBondContact O-N 2.84Å; L326-M329 PolarHBondContact O-N 3.47Å; L326-E330 WeakPolarHBondContact O-CB 3.48Å; L326-E330 PolarHBondContact O-N 2.73Å; L326-I359 HydrophobicContact CB-CG2 4.19Å; L326-I359 HydrophobicContact CD2-CD1 4.1Å; L326-I359 HydrophobicContact CD2-CG2 3.96Å; L326-I359 WeakPolarHBondContact O-CG2 3.45Å; L326-V362 HydrophobicContact CD1-CG1 3.88Å; L326-V362 HydrophobicContact CD2-CG1 4.43Å; L326-K363 HydrophobicContact CB-CB 4.25Å; L326-K363 HydrophobicContact CB-CG 4.49Å; L326-L366 HydrophobicContact CD1-CD1 3.71Å; L326-I505 HydrophobicContact CD2-CG1 4.12Å; L326-I505 HydrophobicContact CD2-CG2 4.31Å
327	D	95.9	Very high	94.7	Very high	58 Å²	58	34.1 Å²	34.1	31%	0.31	18%	0.176	S	C	.	.	H	α-helix	trans	-60	-46.4	174	-169.4	62.2	0	0	0	112.1	I323 E330 A331 K363	I323-D327 PolarHBondContact O-N 2.85Å; D327-E330 PolarHBondContact O-N 3.11Å; D327-A331 WeakPolarHBondContact O-CB 3.05Å; D327-A331 PolarHBondContact O-N 3.31Å; D327-K363 HydrophobicContact CB-CD 3.73Å; D327-K363 IonicContact OD1-NZ 3.41Å; D327-K363 PolarHBondContact OD1-NZ 3.42Å
328	A	96.5	Very high	94.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-41	176.8	0	0	0	0	0	112.2	V295 R298 V299 H324 T325 A331 L332	V295-A328 HydrophobicContact CG1-CB 3.78Å; V295-A328 VanDerWaalsContact CG1-O 3.28Å; V295-A328 WeakPolarHBondContact CG1-O 3.13Å; R298-A328 HydrophobicContact CB-CB 4.02Å; V299-A328 HydrophobicContact CG2-CB 3.69Å; H324-A328 VanDerWaalsContact O-CB 3.32Å; H324-A328 WeakPolarHBondContact O-CB 3.41Å; H324-A328 PolarHBondContact O-N 3.45Å; T325-A328 PolarHBondContact O-N 3.43Å; A328-A331 PolarHBondContact O-N 3.39Å; A328-L332 WeakPolarHBondContact O-CB 3.37Å; A328-L332 VanDerWaalsContact O-CG 3.23Å; A328-L332 WeakPolarHBondContact O-CG 3.35Å; A328-L332 PolarHBondContact O-N 3.5Å
329	M	95.2	Very high	94.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-44.9	176.7	-74.7	174	-179.6	0	0	112.1	V299 T302 T325 L326 A331 L332 I333 I359 A508	V299-M329 HydrophobicContact CG1-CE 4.19Å; T302-M329 WeakPolarHBondContact OG1-CE 3.24Å; T325-M329 HydrophobicContact CG2-CE 3.49Å; T325-M329 VanDerWaalsContact CG2-CE 3.49Å; T325-M329 HydrophobicContact CG2-SD 4.09Å; T325-M329 WeakPolarHBondContact O-CB 3.45Å; T325-M329 VanDerWaalsContact O-CG 3.25Å; T325-M329 WeakPolarHBondContact O-CG 3.31Å; T325-M329 PolarHBondContact O-N 3.43Å; L326-M329 PolarHBondContact O-N 3.47Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 2.92Å; M329-L332 PolarHBondContact O-N 3.47Å; M329-I333 WeakPolarHBondContact O-CD1 3.46Å; M329-I333 VanDerWaalsContact O-CG1 3.24Å; M329-I333 WeakPolarHBondContact O-CG1 3.34Å; M329-I333 PolarHBondContact O-N 3.23Å; M329-I359 HydrophobicContact CB-CG2 4.5Å; M329-A508 HydrophobicContact CB-CB 4.35Å; M329-A508 HydrophobicContact CG-CB 4.37Å; M329-A508 HydrophobicContact SD-CB 3.74Å
330	E	95.5	Very high	94.8	Very high	60 Å²	60	41.6 Å²	41.6	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-44.3	175.9	-174.3	-179.1	-179.7	0	0	111.5	L326 D327 I333 T334 I359 K363	L326-E330 WeakPolarHBondContact O-CB 3.48Å; L326-E330 PolarHBondContact O-N 2.73Å; D327-E330 PolarHBondContact O-N 3.11Å; E330-I333 PolarHBondContact O-N 3.24Å; E330-T334 WeakPolarHBondContact O-CB 3.42Å; E330-T334 PolarHBondContact O-N 2.98Å; E330-T334 PolarHBondContact O-OG1 3.06Å; E330-I359 HydrophobicContact CB-CG2 4.23Å; E330-K363 WeakPolarHBondContact OE2-CE 3.37Å; E330-K363 IonicContact OE2-NZ 2.71Å; E330-K363 PolarHBondContact OE2-NZ 3.05Å
331	A	96.1	Very high	94.6	Very high	35 Å²	35	45.4 Å²	45.4	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-46.1	175	0	0	0	0	0	111.8	V295 D327 A328 M329 I333 T334 M335	V295-A331 HydrophobicContact CG1-CB 4.01Å; D327-A331 WeakPolarHBondContact O-CB 3.05Å; D327-A331 PolarHBondContact O-N 3.31Å; A328-A331 PolarHBondContact O-N 3.39Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 2.92Å; A331-I333 PolarHBondContact O-N 3.03Å; A331-T334 PolarHBondContact O-N 2.65Å; A331-M335 WeakPolarHBondContact O-CB 3.37Å; A331-M335 WeakPolarHBondContact O-CG 3.49Å; A331-M335 PolarHBondContact O-N 2.69Å
332	L	96	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-47.1	177.4	-75.6	169.2	0	0	0	112.1	I292 V295 L296 V299 A328 M329 T334 M335 C336 F511 A512	I292-L332 HydrophobicContact CB-CD2 4.24Å; I292-L332 HydrophobicContact CG1-CD2 4.16Å; I292-L332 HydrophobicContact CG2-CD2 3.79Å; V295-L332 HydrophobicContact CB-CD2 4.1Å; V295-L332 HydrophobicContact CB-CG 4.3Å; V295-L332 HydrophobicContact CG1-CD1 4.37Å; V295-L332 HydrophobicContact CG1-CD2 4.1Å; V295-L332 HydrophobicContact CG1-CG 3.73Å; L296-L332 HydrophobicContact CD2-CD1 3.7Å; L296-L332 HydrophobicContact CD2-CD2 4.43Å; L296-L332 HydrophobicContact CG-CD1 4.29Å; L296-L332 HydrophobicContact CG-CD2 4.24Å; V299-L332 HydrophobicContact CG2-CD1 4.17Å; A328-L332 WeakPolarHBondContact O-CB 3.37Å; A328-L332 VanDerWaalsContact O-CG 3.23Å; A328-L332 WeakPolarHBondContact O-CG 3.35Å; A328-L332 PolarHBondContact O-N 3.5Å; M329-L332 PolarHBondContact O-N 3.47Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 2.86Å; L332-M335 PolarHBondContact O-N 3.34Å; L332-C336 WeakPolarHBondContact O-CB 3.47Å; L332-C336 PolarHBondContact O-N 3Å; L332-C336 PolarHBondContact O-SG 3.46Å; L332-F511 HydrophobicContact CB-CE1 4.3Å; L332-A512 HydrophobicContact CD1-CB 3.97Å
333	I	94.7	Very high	94.5	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-46.2	177.6	-67.8	160.1	0	0	0	109.7	M329 E330 A331 M335 C336 K337 L349 F354 P356 A508 F511	M329-I333 WeakPolarHBondContact O-CD1 3.46Å; M329-I333 VanDerWaalsContact O-CG1 3.24Å; M329-I333 WeakPolarHBondContact O-CG1 3.34Å; M329-I333 PolarHBondContact O-N 3.23Å; E330-I333 PolarHBondContact O-N 3.24Å; A331-I333 PolarHBondContact O-N 3.03Å; I333-M335 PolarHBondContact O-N 3.41Å; I333-C336 PolarHBondContact O-N 3.16Å; I333-K337 VanDerWaalsContact O-CB 3.27Å; I333-K337 WeakPolarHBondContact O-CB 3.22Å; I333-K337 PolarHBondContact O-N 3.37Å; I333-L349 HydrophobicContact CD1-CD2 4.23Å; I333-L349 HydrophobicContact CG1-CD2 3.98Å; I333-L349 HydrophobicContact CG2-CD2 4.49Å; I333-F354 HydrophobicContact CD1-CE1 3.8Å; I333-F354 HydrophobicContact CD1-CZ 4.05Å; I333-P356 HydrophobicContact CG2-CB 4.19Å; I333-P356 HydrophobicContact CG2-CG 4.2Å; I333-A508 HydrophobicContact CD1-CB 4.49Å; I333-F511 HydrophobicContact CG1-CD1 3.93Å; I333-F511 HydrophobicContact CG1-CE1 3.77Å
334	T	94.9	Very high	94.5	Very high	91 Å²	91	48.1 Å²	48.1	56%	0.558	25%	0.247	S	C	*	.	H	α-helix	trans	-62.9	-43.9	180	-57.7	0	0	0	0	112.2	E330 A331 L332 P338	E330-T334 WeakPolarHBondContact O-CB 3.42Å; E330-T334 PolarHBondContact O-N 2.98Å; E330-T334 PolarHBondContact O-OG1 3.06Å; A331-T334 PolarHBondContact O-N 2.65Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 2.86Å; T334-P338 WeakPolarHBondContact O-CD 3.44Å
335	M	94.9	Very high	94.3	Very high	42 Å²	42	44 Å²	44	21%	0.207	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-36.2	179.4	-71	171.4	66.7	0	0	113	L288 E291 I292 V295 A331 L332 I333 P338	L288-M335 HydrophobicContact CD1-CB 4.15Å; L288-M335 HydrophobicContact CD1-CE 4.02Å; E291-M335 HydrophobicContact CB-CE 3.26Å; E291-M335 HydrophobicContact CG-CE 4.44Å; I292-M335 HydrophobicContact CG1-CE 4.09Å; V295-M335 HydrophobicContact CG2-SD 3.92Å; A331-M335 WeakPolarHBondContact O-CB 3.37Å; A331-M335 WeakPolarHBondContact O-CG 3.49Å; A331-M335 PolarHBondContact O-N 2.69Å; L332-M335 PolarHBondContact O-N 3.34Å; I333-M335 PolarHBondContact O-N 3.41Å; M335-P338 WeakPolarHBondContact O-CD 3.38Å
336	C	94.9	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-84.8	-25.5	-177.6	-62	0	0	0	0	113	I292 L332 I333 P338 Y339 L343 V346 F511	I292-C336 VanDerWaalsContact CD1-SG 3.59Å; L332-C336 WeakPolarHBondContact O-CB 3.47Å; L332-C336 PolarHBondContact O-N 3Å; L332-C336 PolarHBondContact O-SG 3.46Å; I333-C336 PolarHBondContact O-N 3.16Å; C336-P338 VanDerWaalsContact C-CD 3.44Å; C336-Y339 PolarHBondContact O-N 3.4Å; C336-L343 HydrophobicContact CB-CD1 3.99Å; C336-V346 HydrophobicContact CB-CG2 3.61Å; C336-F511 HydrophobicContact CB-CZ 3.98Å
337	K	93.3	Very high	93.8	Very high	123 Å²	123	47.2 Å²	47.2	54%	0.535	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-50.5	-43.7	-177.3	-176.5	179.5	-176.8	-178.4	0	114.5	I333 Y339 C340 F350	I333-K337 VanDerWaalsContact O-CB 3.27Å; I333-K337 WeakPolarHBondContact O-CB 3.22Å; I333-K337 PolarHBondContact O-N 3.37Å; K337-Y339 PolarHBondContact O-N 2.87Å; K337-Y339 VanDerWaalsContact O-N 3.12Å; K337-C340 PolarHBondContact O-N 2.82Å; K337-F350 HydrophobicContact CD-CZ 4.25Å; K337-F350 HydrophobicContact CG-CE2 4.26Å; K337-F350 HydrophobicContact CG-CZ 4.24Å
338	P	93.9	Very high	93.5	Very high	100 Å²	100	47.3 Å²	47.3	65%	0.649	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-62.9	-16.5	178	-22.9	34.9	0	0	0	114.5	T334 M335 C336	T334-P338 WeakPolarHBondContact O-CD 3.44Å; M335-P338 WeakPolarHBondContact O-CD 3.38Å; C336-P338 VanDerWaalsContact C-CD 3.44Å
339	Y	94.1	Very high	93.1	Very high	63 Å²	63	47.8 Å²	47.8	25%	0.247	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-110.8	25.9	-176.2	-53.9	-74.2	0	0	0	112	F279 L288 C336 K337 E341 K342 L343	F279-Y339 HydrophobicContact CE1-CD1 4.37Å; F279-Y339 HydrophobicContact CE1-CG 4.17Å; F279-Y339 AromaticContact CE2-CD1 3.75Å; F279-Y339 HydrophobicContact CE2-CD1 3.75Å; F279-Y339 HydrophobicContact CE2-CE1 4.14Å; F279-Y339 HydrophobicContact CE2-CG 4.35Å; F279-Y339 AromaticContact CZ-CD1 3.36Å; F279-Y339 HydrophobicContact CZ-CD1 3.36Å; F279-Y339 HydrophobicContact CZ-CD2 4.19Å; F279-Y339 AromaticContact CZ-CE1 3.79Å; F279-Y339 HydrophobicContact CZ-CE1 3.79Å; F279-Y339 AromaticContact CZ-CG 3.56Å; F279-Y339 HydrophobicContact CZ-CG 3.56Å; L288-Y339 HydrophobicContact CD1-CE2 4.14Å; L288-Y339 HydrophobicContact CD2-CD2 3.53Å; L288-Y339 HydrophobicContact CD2-CE2 3.68Å; L288-Y339 HydrophobicContact CD2-CG 4.29Å; L288-Y339 HydrophobicContact CG-CE2 4.4Å; C336-Y339 PolarHBondContact O-N 3.4Å; K337-Y339 PolarHBondContact O-N 2.87Å; K337-Y339 VanDerWaalsContact O-N 3.12Å; Y339-E341 PolarHBondContact O-N 3.26Å; Y339-E341 VanDerWaalsContact O-N 3.13Å; Y339-K342 PolarHBondContact O-N 3.15Å; Y339-L343 PolarHBondContact O-N 3.26Å
340	C	90.8	Very high	92.6	Very high	51 Å²	51	51.2 Å²	51.2	35%	0.345	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.2	-177	64.2	0	0	0	0	113.5	K337 K342 V346 Q347	K337-C340 PolarHBondContact O-N 2.82Å; C340-K342 VanDerWaalsContact C-N 3.3Å; C340-K342 PolarHBondContact O-N 3.02Å; C340-V346 HydrophobicContact CB-CB 4.22Å; C340-V346 HydrophobicContact CB-CG1 3.66Å; C340-Q347 VanDerWaalsContact O-CD 3.32Å; C340-Q347 WeakPolarHBondContact O-CG 3.26Å; C340-Q347 PolarHBondContact O-NE2 3.25Å
341	E	89.7	Confident	92.1	Very high	161 Å²	161	55 Å²	55	75%	0.752	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-24	176.7	-64.4	-175.4	171.9	0	0	113.7	Y339	Y339-E341 PolarHBondContact O-N 3.26Å; Y339-E341 VanDerWaalsContact O-N 3.13Å
342	K	92.4	Very high	91.3	Very high	116 Å²	116	55.8 Å²	55.8	50%	0.504	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-26.7	-177.4	-58.8	-58.7	-179.2	-174.3	0	113	F279 Y339 C340	F279-K342 HydrophobicContact CB-CB 4.13Å; F279-K342 HydrophobicContact CD1-CB 4.26Å; F279-K342 HydrophobicContact CD2-CB 3.92Å; F279-K342 HydrophobicContact CD2-CG 4Å; F279-K342 HydrophobicContact CE2-CB 4.43Å; F279-K342 HydrophobicContact CE2-CG 4.44Å; F279-K342 HydrophobicContact CG-CB 3.83Å; F279-K342 HydrophobicContact CG-CG 4.39Å; Y339-K342 PolarHBondContact O-N 3.15Å; C340-K342 VanDerWaalsContact C-N 3.3Å; C340-K342 PolarHBondContact O-N 3.02Å
343	L	94.4	Very high	90.6	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.328	C	S	.	.			trans	-109.4	92.6	-179.5	-63.3	-178.4	0	0	0	109.6	A276 F279 F280 L288 C336 Y339 P345 V346	A276-L343 HydrophobicContact CB-CD2 4.05Å; F279-L343 HydrophobicContact CD1-CD2 3.74Å; F279-L343 HydrophobicContact CD1-CG 4.13Å; F279-L343 HydrophobicContact CE1-CD1 4.18Å; F279-L343 HydrophobicContact CE1-CD2 4.13Å; F279-L343 HydrophobicContact CE1-CG 4.11Å; F280-L343 HydrophobicContact CD2-CD2 4.45Å; F280-L343 HydrophobicContact CE1-CD1 4.49Å; F280-L343 HydrophobicContact CE1-CD2 4.18Å; F280-L343 HydrophobicContact CE2-CD2 3.69Å; F280-L343 HydrophobicContact CZ-CD1 4.18Å; F280-L343 HydrophobicContact CZ-CD2 3.53Å; L288-L343 HydrophobicContact CD2-CD1 4.25Å; C336-L343 HydrophobicContact CB-CD1 3.99Å; Y339-L343 PolarHBondContact O-N 3.26Å; L343-P345 VanDerWaalsContact C-N 3.29Å; L343-V346 HydrophobicContact CB-CG2 3.78Å; L343-V346 VanDerWaalsContact O-CB 3.26Å; L343-V346 WeakPolarHBondContact O-CB 3.03Å; L343-V346 WeakPolarHBondContact O-CG2 3.39Å; L343-V346 PolarHBondContact O-N 3.21Å
344	Y	93.9	Very high	90.2	Very high	11 Å²	11	65.1 Å²	65.1	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-53.2	-34.4	-178.5	92.2	-102.8	0	0	0	115	R272 R273 V346 Q347 E348 E514 L518	R272-Y344 HydrophobicContact CB-CD1 3.96Å; R272-Y344 HydrophobicContact CB-CG 4.02Å; R273-Y344 HydrophobicContact CG-CE1 3.87Å; Y344-V346 PolarHBondContact O-N 3.49Å; Y344-Q347 WeakPolarHBondContact O-CB 3.13Å; Y344-Q347 PolarHBondContact O-N 3.4Å; Y344-E348 HydrophobicContact CD2-CG 4.27Å; Y344-E348 WeakPolarHBondContact CD2-OE1 3.19Å; Y344-E348 PolarHBondContact O-N 3.22Å; Y344-E348 VanDerWaalsContact O-N 3.11Å; Y344-E514 WeakPolarHBondContact CE2-OE2 3.39Å; Y344-E514 PolarHBondContact OH-OE2 2.83Å; Y344-L518 HydrophobicContact CD1-CD1 4.36Å; Y344-L518 HydrophobicContact CE1-CD1 3.85Å; Y344-L518 HydrophobicContact CE1-CD2 4.21Å
345	P	92.1	Very high	89.9	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-27.3	178.6	-24.5	36.6	0	0	0	112.6	L343 L349 F511 E514 I515 L518	L343-P345 VanDerWaalsContact C-N 3.29Å; P345-L349 WeakPolarHBondContact O-CB 3.4Å; P345-L349 PolarHBondContact O-N 2.7Å; P345-F511 HydrophobicContact CB-CD2 3.78Å; P345-F511 HydrophobicContact CB-CE2 3.91Å; P345-E514 HydrophobicContact CB-CB 4.34Å; P345-E514 HydrophobicContact CG-CB 4.15Å; P345-I515 HydrophobicContact CB-CD1 4.12Å; P345-I515 HydrophobicContact CB-CG1 4.38Å; P345-I515 HydrophobicContact CG-CD1 3.99Å; P345-L518 HydrophobicContact CG-CD1 3.71Å
346	V	91.9	Very high	89.5	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-44	175.9	-176.9	0	0	0	0	110	C336 C340 L343 Y344 L349 F350 F511	C336-V346 HydrophobicContact CB-CG2 3.61Å; C340-V346 HydrophobicContact CB-CB 4.22Å; C340-V346 HydrophobicContact CB-CG1 3.66Å; L343-V346 HydrophobicContact CB-CG2 3.78Å; L343-V346 VanDerWaalsContact O-CB 3.26Å; L343-V346 WeakPolarHBondContact O-CB 3.03Å; L343-V346 WeakPolarHBondContact O-CG2 3.39Å; L343-V346 PolarHBondContact O-N 3.21Å; Y344-V346 PolarHBondContact O-N 3.49Å; V346-L349 PolarHBondContact O-N 3.41Å; V346-F350 HydrophobicContact CG1-CD2 3.91Å; V346-F350 HydrophobicContact CG1-CE2 3.59Å; V346-F350 WeakPolarHBondContact O-CD2 3.36Å; V346-F350 PolarHBondContact O-N 2.91Å; V346-F511 HydrophobicContact CB-CE2 4.43Å; V346-F511 HydrophobicContact CG2-CE2 3.8Å; V346-F511 HydrophobicContact CG2-CZ 4.09Å
347	Q	89.7	Confident	89.3	Confident	64 Å²	64	67.2 Å²	67.2	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-46.9	177.3	-55.7	173.2	-8.9	0	0	110.6	R272 C340 Y344 L349 F350 L351	R272-Q347 VanDerWaalsContact NH2-OE1 3.11Å; C340-Q347 VanDerWaalsContact O-CD 3.32Å; C340-Q347 WeakPolarHBondContact O-CG 3.26Å; C340-Q347 PolarHBondContact O-NE2 3.25Å; Y344-Q347 WeakPolarHBondContact O-CB 3.13Å; Y344-Q347 PolarHBondContact O-N 3.4Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 2.88Å; Q347-F350 PolarHBondContact O-N 3.46Å; Q347-L351 WeakPolarHBondContact O-CB 3.4Å; Q347-L351 VanDerWaalsContact O-CG 3.23Å; Q347-L351 WeakPolarHBondContact O-CG 3.24Å; Q347-L351 PolarHBondContact O-N 3.46Å
348	E	88.5	Confident	89.3	Confident	60 Å²	60	63.2 Å²	63.2	28%	0.28	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-37.8	-178.2	-67.4	-168.3	-175.8	0	0	112.5	R272 Y344 L351 A352	R272-E348 IonicContact CZ-OE1 2.99Å; R272-E348 IonicContact NH1-OE1 2.69Å; R272-E348 PolarHBondContact NH1-OE1 3.09Å; R272-E348 IonicContact NH2-OE1 3.24Å; Y344-E348 HydrophobicContact CD2-CG 4.27Å; Y344-E348 WeakPolarHBondContact CD2-OE1 3.19Å; Y344-E348 PolarHBondContact O-N 3.22Å; Y344-E348 VanDerWaalsContact O-N 3.11Å; E348-L351 PolarHBondContact O-N 3.23Å; E348-A352 WeakPolarHBondContact O-CB 3.49Å; E348-A352 PolarHBondContact O-N 3.05Å
349	L	87.8	Confident	89.3	Confident	11 Å²	11	58.5 Å²	58.5	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-49.3	175.2	-170.3	66.4	0	0	0	111	I333 P345 V346 Q347 A352 F354 Q507 F511	I333-L349 HydrophobicContact CD1-CD2 4.23Å; I333-L349 HydrophobicContact CG1-CD2 3.98Å; I333-L349 HydrophobicContact CG2-CD2 4.49Å; P345-L349 WeakPolarHBondContact O-CB 3.4Å; P345-L349 PolarHBondContact O-N 2.7Å; V346-L349 PolarHBondContact O-N 3.41Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 2.88Å; L349-A352 PolarHBondContact O-N 3.31Å; L349-F354 HydrophobicContact CD1-CB 3.83Å; L349-F354 HydrophobicContact CD1-CD1 3.72Å; L349-F354 HydrophobicContact CD1-CD2 4.02Å; L349-F354 HydrophobicContact CD1-CE1 4.21Å; L349-F354 HydrophobicContact CD1-CE2 4.49Å; L349-F354 HydrophobicContact CD1-CG 3.58Å; L349-F354 HydrophobicContact CD2-CD1 3.77Å; L349-F354 HydrophobicContact CD2-CE1 3.93Å; L349-F354 HydrophobicContact CD2-CG 4.49Å; L349-F354 HydrophobicContact CG-CB 3.96Å; L349-F354 HydrophobicContact CG-CD1 3.56Å; L349-F354 HydrophobicContact CG-CE1 4.18Å; L349-F354 HydrophobicContact CG-CG 3.85Å; L349-F354 WeakPolarHBondContact O-CB 3.37Å; L349-F354 PolarHBondContact O-N 3.48Å; L349-Q507 HydrophobicContact CD1-CB 4.47Å; L349-F511 HydrophobicContact CB-CD2 4.33Å; L349-F511 HydrophobicContact CD1-CB 4.21Å; L349-F511 HydrophobicContact CD2-CB 4.37Å; L349-F511 HydrophobicContact CD2-CD1 4.36Å; L349-F511 HydrophobicContact CD2-CD2 4.05Å; L349-F511 HydrophobicContact CD2-CE2 4.48Å; L349-F511 HydrophobicContact CD2-CG 3.99Å
350	F	85.4	Confident	89.2	Confident	72 Å²	72	56.1 Å²	56.1	32%	0.316	30%	0.295	S	S	.	.	H	α-helix	trans	-72.3	-33.9	179.5	-69.3	-64	0	0	0	113.3	K337 V346 Q347 A352 K353 P356	K337-F350 HydrophobicContact CD-CZ 4.25Å; K337-F350 HydrophobicContact CG-CE2 4.26Å; K337-F350 HydrophobicContact CG-CZ 4.24Å; V346-F350 HydrophobicContact CG1-CD2 3.91Å; V346-F350 HydrophobicContact CG1-CE2 3.59Å; V346-F350 WeakPolarHBondContact O-CD2 3.36Å; V346-F350 PolarHBondContact O-N 2.91Å; Q347-F350 PolarHBondContact O-N 3.46Å; F350-A352 PolarHBondContact O-N 3.22Å; F350-K353 PolarHBondContact O-N 3.05Å; F350-K353 VanDerWaalsContact O-N 3.08Å; F350-P356 HydrophobicContact CE1-CG 3.67Å; F350-P356 HydrophobicContact CZ-CG 4.17Å
351	L	84.9	Confident	89.4	Confident	139 Å²	139	57.3 Å²	57.3	73%	0.728	30%	0.304	S	S	*	.	H	α-helix	trans	-62.7	-32.2	172.6	-75	170.5	0	0	0	112	Q347 E348 K353	Q347-L351 WeakPolarHBondContact O-CB 3.4Å; Q347-L351 VanDerWaalsContact O-CG 3.23Å; Q347-L351 WeakPolarHBondContact O-CG 3.24Å; Q347-L351 PolarHBondContact O-N 3.46Å; E348-L351 PolarHBondContact O-N 3.23Å; L351-K353 PolarHBondContact O-N 3.49Å; L351-K353 VanDerWaalsContact O-N 3.13Å
352	A	79.3	Confident	89.7	Confident	53 Å²	53	49.8 Å²	49.8	44%	0.438	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	8.1	174.7	0	0	0	0	0	114	E348 L349 F350 F354	E348-A352 WeakPolarHBondContact O-CB 3.49Å; E348-A352 PolarHBondContact O-N 3.05Å; L349-A352 PolarHBondContact O-N 3.31Å; F350-A352 PolarHBondContact O-N 3.22Å; A352-F354 PolarHBondContact O-N 3.45Å
353	K	81.8	Confident	89.8	Confident	193 Å²	193	45.9 Å²	45.9	84%	0.839	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	30.5	-175.4	-57.4	-177.6	179.3	-179.8	0	113	F350 L351 D355	F350-K353 PolarHBondContact O-N 3.05Å; F350-K353 VanDerWaalsContact O-N 3.08Å; L351-K353 PolarHBondContact O-N 3.49Å; L351-K353 VanDerWaalsContact O-N 3.13Å; K353-D355 PolarHBondContact O-N 3.2Å
354	F	86.1	Confident	89.8	Confident	10 Å²	10	49.5 Å²	49.5	4%	0.044	28%	0.277	C	S	.	.			trans	-67.6	128.9	172.5	176	-95.7	0	0	0	109.5	I333 L349 A352 P356 I359 S504 Q507 A508	I333-F354 HydrophobicContact CD1-CE1 3.8Å; I333-F354 HydrophobicContact CD1-CZ 4.05Å; L349-F354 HydrophobicContact CD1-CB 3.83Å; L349-F354 HydrophobicContact CD1-CD1 3.72Å; L349-F354 HydrophobicContact CD1-CD2 4.02Å; L349-F354 HydrophobicContact CD1-CE1 4.21Å; L349-F354 HydrophobicContact CD1-CE2 4.49Å; L349-F354 HydrophobicContact CD1-CG 3.58Å; L349-F354 HydrophobicContact CD2-CD1 3.77Å; L349-F354 HydrophobicContact CD2-CE1 3.93Å; L349-F354 HydrophobicContact CD2-CG 4.49Å; L349-F354 HydrophobicContact CG-CB 3.96Å; L349-F354 HydrophobicContact CG-CD1 3.56Å; L349-F354 HydrophobicContact CG-CE1 4.18Å; L349-F354 HydrophobicContact CG-CG 3.85Å; L349-F354 WeakPolarHBondContact O-CB 3.37Å; L349-F354 PolarHBondContact O-N 3.48Å; A352-F354 PolarHBondContact O-N 3.45Å; F354-P356 HydrophobicContact CD1-CG 4.08Å; F354-P356 HydrophobicContact CE1-CB 4.12Å; F354-P356 HydrophobicContact CE1-CG 4.01Å; F354-P356 WeakPolarHBondContact O-CD 3.34Å; F354-I359 HydrophobicContact CE2-CD1 4.43Å; F354-I359 HydrophobicContact CE2-CG1 4.19Å; F354-I359 HydrophobicContact CZ-CD1 4.25Å; F354-I359 HydrophobicContact CZ-CG1 3.56Å; F354-S504 WeakPolarHBondContact CE2-O 3.36Å; F354-Q507 HydrophobicContact CD2-CB 4.04Å; F354-Q507 HydrophobicContact CE2-CB 4.37Å; F354-A508 HydrophobicContact CE2-CB 4.22Å; F354-A508 HydrophobicContact CZ-CB 4.01Å
355	D	88.4	Confident	89.8	Confident	84 Å²	84	50.4 Å²	50.4	45%	0.449	28%	0.28	S	S	.	.			trans	-98.7	108.4	173.1	178.8	9.4	0	0	0	109.8	K353 A357 I358	K353-D355 PolarHBondContact O-N 3.2Å; D355-A357 PolarHBondContact O-N 3.12Å; D355-A357 VanDerWaalsContact O-N 3.15Å; D355-A357 VanDerWaalsContact OD1-CB 3.24Å; D355-A357 WeakPolarHBondContact OD1-CB 3.43Å; D355-A357 PolarHBondContact OD1-N 3.24Å; D355-I358 HydrophobicContact CB-CD1 3.9Å; D355-I358 HydrophobicContact CB-CG1 3.99Å; D355-I358 WeakPolarHBondContact O-CB 3.46Å; D355-I358 PolarHBondContact O-N 3.27Å
356	P	86.5	Confident	90	Very high	39 Å²	39	50.2 Å²	50.2	25%	0.253	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-24.9	177.6	-22.6	33.5	0	0	0	113.8	I333 F350 F354 I358 I359 G360	I333-P356 HydrophobicContact CG2-CB 4.19Å; I333-P356 HydrophobicContact CG2-CG 4.2Å; F350-P356 HydrophobicContact CE1-CG 3.67Å; F350-P356 HydrophobicContact CZ-CG 4.17Å; F354-P356 HydrophobicContact CD1-CG 4.08Å; F354-P356 HydrophobicContact CE1-CB 4.12Å; F354-P356 HydrophobicContact CE1-CG 4.01Å; F354-P356 WeakPolarHBondContact O-CD 3.34Å; P356-I358 PolarHBondContact O-N 2.79Å; P356-I359 PolarHBondContact O-N 3.21Å; P356-I359 VanDerWaalsContact O-N 3.16Å; P356-G360 PolarHBondContact O-N 3.48Å
357	A	91.4	Very high	90.1	Very high	54 Å²	54	54 Å²	54	45%	0.446	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-23.9	177.9	0	0	0	0	0	112	D355 G360 S361	D355-A357 PolarHBondContact O-N 3.12Å; D355-A357 VanDerWaalsContact O-N 3.15Å; D355-A357 VanDerWaalsContact OD1-CB 3.24Å; D355-A357 WeakPolarHBondContact OD1-CB 3.43Å; D355-A357 PolarHBondContact OD1-N 3.24Å; A357-G360 PolarHBondContact O-N 3.31Å; A357-S361 VanDerWaalsContact O-CB 3.23Å; A357-S361 WeakPolarHBondContact O-CB 3.5Å; A357-S361 PolarHBondContact O-N 3.34Å; A357-S361 PolarHBondContact O-OG 3.37Å
358	I	92.3	Very high	90.4	Very high	40 Å²	40	57 Å²	57	21%	0.205	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-46.3	174.3	-64.4	173.2	0	0	0	110.1	D355 P356 S361 V362 Y501	D355-I358 HydrophobicContact CB-CD1 3.9Å; D355-I358 HydrophobicContact CB-CG1 3.99Å; D355-I358 WeakPolarHBondContact O-CB 3.46Å; D355-I358 PolarHBondContact O-N 3.27Å; P356-I358 PolarHBondContact O-N 2.79Å; I358-S361 PolarHBondContact O-N 3.5Å; I358-V362 HydrophobicContact CG2-CG2 4.05Å; I358-V362 WeakPolarHBondContact O-CA 3.34Å; I358-V362 WeakPolarHBondContact O-CB 3.43Å; I358-V362 WeakPolarHBondContact O-CG2 3.36Å; I358-V362 PolarHBondContact O-N 3.04Å; I358-Y501 HydrophobicContact CG2-CD1 3.51Å; I358-Y501 HydrophobicContact CG2-CE1 4.06Å; I358-Y501 HydrophobicContact CG2-CG 4.22Å
359	I	93.4	Very high	90.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-44.2	-179	-60.6	-58.1	0	0	0	111.1	L326 M329 E330 F354 P356 V362 K363 I505 A508	L326-I359 HydrophobicContact CB-CG2 4.19Å; L326-I359 HydrophobicContact CD2-CD1 4.1Å; L326-I359 HydrophobicContact CD2-CG2 3.96Å; L326-I359 WeakPolarHBondContact O-CG2 3.45Å; M329-I359 HydrophobicContact CB-CG2 4.5Å; E330-I359 HydrophobicContact CB-CG2 4.23Å; F354-I359 HydrophobicContact CE2-CD1 4.43Å; F354-I359 HydrophobicContact CE2-CG1 4.19Å; F354-I359 HydrophobicContact CZ-CD1 4.25Å; F354-I359 HydrophobicContact CZ-CG1 3.56Å; P356-I359 PolarHBondContact O-N 3.21Å; P356-I359 VanDerWaalsContact O-N 3.16Å; I359-V362 CarbonylContact O-C 3.55Å; I359-V362 PolarHBondContact O-N 3.12Å; I359-K363 WeakPolarHBondContact O-CB 3.26Å; I359-K363 PolarHBondContact O-N 3.46Å; I359-I505 HydrophobicContact CD1-CG1 4.25Å; I359-A508 HydrophobicContact CD1-CB 4.04Å; I359-A508 HydrophobicContact CG1-CB 4.19Å
360	G	93.5	Very high	91	Very high	14 Å²	14	54.7 Å²	54.7	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-43.1	176.7	0	0	0	0	0	112.5	P356 A357 V362 K363 S364	P356-G360 PolarHBondContact O-N 3.48Å; A357-G360 PolarHBondContact O-N 3.31Å; G360-V362 VanDerWaalsContact C-N 3.31Å; G360-V362 PolarHBondContact O-N 3.25Å; G360-K363 WeakPolarHBondContact O-CB 3.44Å; G360-K363 PolarHBondContact O-N 3.32Å; G360-K363 VanDerWaalsContact O-N 3.16Å; G360-S364 WeakPolarHBondContact O-CB 3.4Å; G360-S364 PolarHBondContact O-N 3.31Å
361	S	94.6	Very high	91.5	Very high	76 Å²	76	52.6 Å²	52.6	53%	0.531	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-43.3	173.2	-58.7	0	0	0	0	110.8	A357 I358 K363 S364 W365	A357-S361 VanDerWaalsContact O-CB 3.23Å; A357-S361 WeakPolarHBondContact O-CB 3.5Å; A357-S361 PolarHBondContact O-N 3.34Å; A357-S361 PolarHBondContact O-OG 3.37Å; I358-S361 PolarHBondContact O-N 3.5Å; S361-K363 PolarHBondContact O-N 3.12Å; S361-S364 PolarHBondContact O-N 2.65Å; S361-W365 PolarHBondContact O-N 2.62Å
362	V	94.7	Very high	91.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-72.1	-14.2	178.8	173.7	0	0	0	0	112.4	L326 I358 I359 G360 W365 L366 Y501 I505	L326-V362 HydrophobicContact CD1-CG1 3.88Å; L326-V362 HydrophobicContact CD2-CG1 4.43Å; I358-V362 HydrophobicContact CG2-CG2 4.05Å; I358-V362 WeakPolarHBondContact O-CA 3.34Å; I358-V362 WeakPolarHBondContact O-CB 3.43Å; I358-V362 WeakPolarHBondContact O-CG2 3.36Å; I358-V362 PolarHBondContact O-N 3.04Å; I359-V362 CarbonylContact O-C 3.55Å; I359-V362 PolarHBondContact O-N 3.12Å; G360-V362 VanDerWaalsContact C-N 3.31Å; G360-V362 PolarHBondContact O-N 3.25Å; V362-W365 HydrophobicContact CG1-CZ2 3.93Å; V362-W365 HydrophobicContact CG2-CZ2 4.4Å; V362-W365 PolarHBondContact O-NE1 2.97Å; V362-L366 WeakPolarHBondContact O-CD1 3.2Å; V362-L366 WeakPolarHBondContact O-CG 3.14Å; V362-Y501 HydrophobicContact CG2-CD1 4.24Å; V362-Y501 HydrophobicContact CG2-CD2 3.74Å; V362-Y501 HydrophobicContact CG2-CE2 4.23Å; V362-Y501 HydrophobicContact CG2-CG 3.75Å; V362-I505 HydrophobicContact CG1-CD1 4.25Å
363	K	95	Very high	92.3	Very high	34 Å²	34	53 Å²	53	15%	0.148	29%	0.287	C	S	.	.	H	α-helix	trans	-86.6	-45.6	168.7	-175.4	-173.9	71.8	-176.5	0	110.6	L326 D327 E330 I359 G360 S361 L366 I367	L326-K363 HydrophobicContact CB-CB 4.25Å; L326-K363 HydrophobicContact CB-CG 4.49Å; D327-K363 HydrophobicContact CB-CD 3.73Å; D327-K363 IonicContact OD1-NZ 3.41Å; D327-K363 PolarHBondContact OD1-NZ 3.42Å; E330-K363 WeakPolarHBondContact OE2-CE 3.37Å; E330-K363 IonicContact OE2-NZ 2.71Å; E330-K363 PolarHBondContact OE2-NZ 3.05Å; I359-K363 WeakPolarHBondContact O-CB 3.26Å; I359-K363 PolarHBondContact O-N 3.46Å; G360-K363 WeakPolarHBondContact O-CB 3.44Å; G360-K363 PolarHBondContact O-N 3.32Å; G360-K363 VanDerWaalsContact O-N 3.16Å; S361-K363 PolarHBondContact O-N 3.12Å; K363-L366 PolarHBondContact O-N 3.23Å; K363-I367 HydrophobicContact CD-CD1 4.24Å; K363-I367 HydrophobicContact CG-CD1 3.72Å; K363-I367 HydrophobicContact CG-CG1 4.44Å; K363-I367 WeakPolarHBondContact O-CG1 3.37Å; K363-I367 PolarHBondContact O-N 3.41Å
364	S	94.9	Very high	92.8	Very high	76 Å²	76	48.8 Å²	48.8	53%	0.531	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-50.3	-172.6	-177.7	0	0	0	0	113.2	G360 S361 L366 I367 H368	G360-S364 WeakPolarHBondContact O-CB 3.4Å; G360-S364 PolarHBondContact O-N 3.31Å; S361-S364 PolarHBondContact O-N 2.65Å; S364-L366 PolarHBondContact O-N 2.98Å; S364-I367 PolarHBondContact O-N 3.47Å; S364-H368 WeakPolarHBondContact O-CB 3.38Å; S364-H368 PolarHBondContact O-N 3.43Å
365	W	94.1	Very high	93.1	Very high	30 Å²	30	48.5 Å²	48.5	11%	0.114	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-40.4	175.4	70.6	-37	0	0	0	113.5	S361 V362 H368 V369 L494 R497 L498	S361-W365 PolarHBondContact O-N 2.62Å; V362-W365 HydrophobicContact CG1-CZ2 3.93Å; V362-W365 HydrophobicContact CG2-CZ2 4.4Å; V362-W365 PolarHBondContact O-NE1 2.97Å; W365-H368 PolarHBondContact O-N 3.38Å; W365-V369 WeakPolarHBondContact O-CG2 3.28Å; W365-V369 PolarHBondContact O-N 3.21Å; W365-L494 HydrophobicContact CD2-CD1 4.38Å; W365-L494 HydrophobicContact CE3-CD1 3.67Å; W365-L494 HydrophobicContact CH2-CD1 4.21Å; W365-L494 HydrophobicContact CZ3-CD1 3.52Å; W365-L494 HydrophobicContact CZ3-CG 4.38Å; W365-R497 HydrophobicContact CE3-CG 4.09Å; W365-R497 HydrophobicContact CH2-CB 3.77Å; W365-R497 HydrophobicContact CH2-CG 3.63Å; W365-R497 HydrophobicContact CZ3-CB 3.52Å; W365-R497 HydrophobicContact CZ3-CG 3.25Å; W365-L498 HydrophobicContact CH2-CB 3.8Å; W365-L498 VanDerWaalsContact CH2-N 3.32Å; W365-L498 HydrophobicContact CZ2-CB 3.95Å; W365-L498 HydrophobicContact CZ2-CG 4.44Å
366	L	95.5	Very high	93	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-46.3	176.7	-70	177.4	0	0	0	111	W319 I322 I323 L326 V362 K363 S364 H368 V369 I370 L494 L498	W319-L366 HydrophobicContact CE3-CD2 4.28Å; W319-L366 HydrophobicContact CZ3-CD2 3.96Å; I322-L366 HydrophobicContact CG2-CD1 4.09Å; I323-L366 HydrophobicContact CD1-CB 4.04Å; I323-L366 HydrophobicContact CG1-CB 3.8Å; I323-L366 HydrophobicContact CG1-CD1 3.98Å; L326-L366 HydrophobicContact CD1-CD1 3.71Å; V362-L366 WeakPolarHBondContact O-CD1 3.2Å; V362-L366 WeakPolarHBondContact O-CG 3.14Å; K363-L366 PolarHBondContact O-N 3.23Å; S364-L366 PolarHBondContact O-N 2.98Å; L366-H368 VanDerWaalsContact C-N 3.26Å; L366-H368 PolarHBondContact O-N 3.42Å; L366-V369 PolarHBondContact O-N 3.05Å; L366-I370 HydrophobicContact CB-CD1 4.44Å; L366-I370 HydrophobicContact CD2-CD1 4.13Å; L366-I370 WeakPolarHBondContact O-CB 3.45Å; L366-I370 WeakPolarHBondContact O-CG1 3.35Å; L366-I370 PolarHBondContact O-N 3.39Å; L366-L494 HydrophobicContact CD2-CD1 4.03Å; L366-L494 HydrophobicContact CD2-CD2 3.72Å; L366-L494 HydrophobicContact CD2-CG 3.81Å; L366-L498 HydrophobicContact CD1-CD1 4.02Å; L366-L498 HydrophobicContact CD2-CD1 4.21Å
367	I	94.5	Very high	93.2	Very high	81 Å²	81	55.2 Å²	55.2	42%	0.415	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-33.4	177.6	-67.3	173.6	0	0	0	111.3	I323 K363 S364	I323-I367 HydrophobicContact CD1-CG1 4.48Å; I323-I367 HydrophobicContact CG2-CD1 3.95Å; I323-I367 HydrophobicContact CG2-CG1 3.67Å; K363-I367 HydrophobicContact CD-CD1 4.24Å; K363-I367 HydrophobicContact CG-CD1 3.72Å; K363-I367 HydrophobicContact CG-CG1 4.44Å; K363-I367 WeakPolarHBondContact O-CG1 3.37Å; K363-I367 PolarHBondContact O-N 3.41Å; S364-I367 PolarHBondContact O-N 3.47Å
368	H	94.9	Very high	93.1	Very high	127 Å²	127	56.7 Å²	56.7	59%	0.588	29%	0.288	S	S	*	.	H	α-helix	trans	-70.9	-35.8	178.1	-168.6	71.2	0	0	0	112.5	S364 W365 L366	S364-H368 WeakPolarHBondContact O-CB 3.38Å; S364-H368 PolarHBondContact O-N 3.43Å; W365-H368 PolarHBondContact O-N 3.38Å; L366-H368 VanDerWaalsContact C-N 3.26Å; L366-H368 PolarHBondContact O-N 3.42Å
369	V	95.6	Very high	93	Very high	21 Å²	21	61.6 Å²	61.6	13%	0.127	31%	0.31	C	S	.	.	H	α-helix	trans	-86.2	-40.5	-177.2	174.8	0	0	0	0	112.5	W365 L366 V383 R384 V387 I490 L494	W365-V369 WeakPolarHBondContact O-CG2 3.28Å; W365-V369 PolarHBondContact O-N 3.21Å; L366-V369 PolarHBondContact O-N 3.05Å; V369-V383 WeakPolarHBondContact O-CA 3.38Å; V369-R384 PolarHBondContact O-N 3.29Å; V369-V387 HydrophobicContact CG1-CG1 4.38Å; V369-V387 HydrophobicContact CG2-CG1 4.39Å; V369-I490 HydrophobicContact CG1-CG2 3.92Å; V369-L494 HydrophobicContact CB-CD1 4.35Å; V369-L494 HydrophobicContact CB-CD2 4.3Å; V369-L494 HydrophobicContact CG1-CD1 4.36Å; V369-L494 HydrophobicContact CG1-CD2 3.93Å; V369-L494 HydrophobicContact CG2-CD1 4.27Å
370	I	95	Very high	92.8	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.015	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-98.3	127.4	-167.9	-52.8	176.6	0	0	0	110.9	W319 I323 L366 T372 F381 L494	W319-I370 HydrophobicContact CB-CD1 4.08Å; W319-I370 HydrophobicContact CD2-CD1 3.93Å; W319-I370 HydrophobicContact CE3-CD1 3.48Å; W319-I370 VanDerWaalsContact CE3-CD1 3.48Å; W319-I370 HydrophobicContact CG-CD1 4.21Å; W319-I370 HydrophobicContact CZ3-CD1 4.19Å; I323-I370 HydrophobicContact CD1-CD1 4.27Å; L366-I370 HydrophobicContact CB-CD1 4.44Å; L366-I370 HydrophobicContact CD2-CD1 4.13Å; L366-I370 WeakPolarHBondContact O-CB 3.45Å; L366-I370 WeakPolarHBondContact O-CG1 3.35Å; L366-I370 PolarHBondContact O-N 3.39Å; I370-T372 HydrophobicContact CG2-CG2 4.05Å; I370-T372 PolarHBondContact O-N 3.47Å; I370-F381 HydrophobicContact CD1-CE2 3.69Å; I370-F381 HydrophobicContact CD1-CZ 4.18Å; I370-F381 HydrophobicContact CG1-CE2 3.68Å; I370-F381 HydrophobicContact CG1-CZ 3.74Å; I370-F381 HydrophobicContact CG2-CE2 4.28Å; I370-L494 HydrophobicContact CD1-CD2 3.65Å; I370-L494 HydrophobicContact CG1-CD2 3.74Å
371	D	94.6	Very high	92.8	Very high	27 Å²	27	64.5 Å²	64.5	14%	0.144	32%	0.317	C	S	.	.			trans	-85.4	90.7	164	-170.5	-29.5	0	0	0	109	E373 K374 T375 V382	D371-E373 VanDerWaalsContact C-N 3.26Å; D371-E373 PolarHBondContact O-N 3.16Å; D371-E373 PolarHBondContact OD1-N 3.38Å; D371-K374 HydrophobicContact CB-CB 4.18Å; D371-K374 PolarHBondContact O-N 3.12Å; D371-K374 PolarHBondContact OD1-N 3.22Å; D371-K374 WeakPolarHBondContact OD2-CD 3.47Å; D371-K374 WeakPolarHBondContact OD2-CE 3.42Å; D371-K374 WeakPolarHBondContact OD2-CG 3.38Å; D371-T375 WeakPolarHBondContact O-CB 3.45Å; D371-T375 PolarHBondContact O-N 3.29Å; D371-T375 PolarHBondContact O-OG1 3.43Å; D371-V382 HydrophobicContact CB-CB 4.49Å; D371-V382 HydrophobicContact CB-CG1 4.2Å; D371-V382 PolarHBondContact N-O 3.29Å
372	T	90.3	Very high	92.8	Very high	45 Å²	45	61.1 Å²	61.1	28%	0.276	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-30.2	-175.1	51.3	0	0	0	0	113.3	I323 I370 E376	I323-T372 HydrophobicContact CD1-CG2 3.57Å; I370-T372 HydrophobicContact CG2-CG2 4.05Å; I370-T372 PolarHBondContact O-N 3.47Å; T372-E376 PolarHBondContact O-N 3.37Å
373	E	91.5	Very high	92.8	Very high	157 Å²	157	61.3 Å²	61.3	73%	0.734	29%	0.294	S	S	*	.	H	α-helix	trans	-72.6	-48.1	-179.8	-66.5	-177.8	179.9	0	0	110.6	D371 E376 K377	D371-E373 VanDerWaalsContact C-N 3.26Å; D371-E373 PolarHBondContact O-N 3.16Å; D371-E373 PolarHBondContact OD1-N 3.38Å; E373-E376 PolarHBondContact O-N 3.25Å; E373-K377 WeakPolarHBondContact O-CB 3.4Å; E373-K377 PolarHBondContact O-N 2.93Å
374	K	92.1	Very high	92.9	Very high	104 Å²	104	66.4 Å²	66.4	45%	0.452	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-38.8	174.7	-69.8	-172.2	-172	178.5	0	112.3	D371 E376 K377 E378 V382	D371-K374 HydrophobicContact CB-CB 4.18Å; D371-K374 PolarHBondContact O-N 3.12Å; D371-K374 PolarHBondContact OD1-N 3.22Å; D371-K374 WeakPolarHBondContact OD2-CD 3.47Å; D371-K374 WeakPolarHBondContact OD2-CE 3.42Å; D371-K374 WeakPolarHBondContact OD2-CG 3.38Å; K374-E376 PolarHBondContact O-N 2.86Å; K374-K377 PolarHBondContact O-N 3.22Å; K374-K377 VanDerWaalsContact O-N 3.15Å; K374-E378 WeakPolarHBondContact O-CB 3.47Å; K374-E378 PolarHBondContact O-N 2.61Å; K374-V382 HydrophobicContact CB-CB 3.96Å; K374-V382 HydrophobicContact CB-CG1 3.78Å; K374-V382 HydrophobicContact CB-CG2 4.09Å; K374-V382 HydrophobicContact CD-CG1 3.94Å
375	T	91.8	Very high	92.8	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-56.4	-41.5	178.1	-67.3	0	0	0	0	111.6	P316 D371 Q379 R380 V382	P316-T375 HydrophobicContact CB-CG2 3.82Å; D371-T375 WeakPolarHBondContact O-CB 3.45Å; D371-T375 PolarHBondContact O-N 3.29Å; D371-T375 PolarHBondContact O-OG1 3.43Å; T375-Q379 WeakPolarHBondContact O-CA 3.37Å; T375-Q379 PolarHBondContact O-N 2.93Å; T375-Q379 VanDerWaalsContact O-N 3.15Å; T375-R380 WeakPolarHBondContact CA-O 3.31Å; T375-R380 WeakPolarHBondContact CG2-O 3.44Å; T375-R380 PolarHBondContact O-N 2.85Å; T375-V382 PolarHBondContact OG1-N 3.49Å
376	E	87.3	Confident	92.7	Very high	85 Å²	85	73 Å²	73	40%	0.397	34%	0.342	S	S	.	.	H	α-helix	trans	-73	-43.9	175.6	-176.5	170.7	-145.9	0	0	112.3	R320 T372 E373 K374 E378 Q379	R320-E376 VanDerWaalsContact CZ-CD 3.46Å; R320-E376 IonicContact CZ-OE1 2.7Å; R320-E376 IonicContact CZ-OE2 2.81Å; R320-E376 IonicContact NH1-OE1 2.7Å; R320-E376 PolarHBondContact NH1-OE1 2.78Å; R320-E376 IonicContact NH1-OE2 2.87Å; R320-E376 PolarHBondContact NH1-OE2 2.8Å; R320-E376 IonicContact NH2-OE1 3.5Å; R320-E376 PolarHBondContact NH2-OE1 2.79Å; R320-E376 IonicContact NH2-OE2 3.21Å; T372-E376 PolarHBondContact O-N 3.37Å; E373-E376 PolarHBondContact O-N 3.25Å; K374-E376 PolarHBondContact O-N 2.86Å; E376-E378 VanDerWaalsContact C-N 3.35Å; E376-E378 PolarHBondContact O-N 2.82Å; E376-Q379 PolarHBondContact O-N 3.04Å; E376-Q379 PolarHBondContact O-NE2 2.93Å
377	K	91.1	Very high	92.6	Very high	180 Å²	180	75.3 Å²	75.3	78%	0.783	36%	0.357	S	S	*	.	H	α-helix	trans	-62.8	-41.5	-179.1	-173.5	-178.8	177.8	-174.7	0	112.5	E373 K374	E373-K377 WeakPolarHBondContact O-CB 3.4Å; E373-K377 PolarHBondContact O-N 2.93Å; K374-K377 PolarHBondContact O-N 3.22Å; K374-K377 VanDerWaalsContact O-N 3.15Å
378	E	88.6	Confident	92.6	Very high	85 Å²	85	73.9 Å²	73.9	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-91.3	-5.6	-175.9	-62.6	-177.3	-160.8	0	0	113.1	K374 E376 R380 V382	K374-E378 WeakPolarHBondContact O-CB 3.47Å; K374-E378 PolarHBondContact O-N 2.61Å; E376-E378 VanDerWaalsContact C-N 3.35Å; E376-E378 PolarHBondContact O-N 2.82Å; E378-R380 HydrophobicContact CB-CG 3.89Å; E378-R380 PolarHBondContact O-N 3Å; E378-R380 IonicContact OE2-CZ 3.86Å; E378-R380 IonicContact OE2-NE 2.64Å; E378-R380 PolarHBondContact OE2-NE 2.96Å; E378-R380 IonicContact OE2-NH2 3.76Å; E378-R380 PolarHBondContact OE2-NH2 2.89Å; E378-V382 HydrophobicContact CB-CG2 4.39Å
379	Q	89.4	Confident	92.6	Very high	143 Å²	143	72.6 Å²	72.6	67%	0.668	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	33.7	-177.2	-62.5	-68.7	-52.9	0	0	113.2	P316 T375 E376	P316-Q379 WeakPolarHBondContact CG-O 3.37Å; T375-Q379 WeakPolarHBondContact O-CA 3.37Å; T375-Q379 PolarHBondContact O-N 2.93Å; T375-Q379 VanDerWaalsContact O-N 3.15Å; E376-Q379 PolarHBondContact O-N 3.04Å; E376-Q379 PolarHBondContact O-NE2 2.93Å
380	R	90.1	Very high	92.5	Very high	58 Å²	58	74.8 Å²	74.8	22%	0.219	37%	0.365	C	S	.	.	S	Bend	trans	-147.5	158.9	178	72.4	-168.7	-172.2	88.5	13.1	109.5	T375 E378 V382 E487	T375-R380 WeakPolarHBondContact CA-O 3.31Å; T375-R380 WeakPolarHBondContact CG2-O 3.44Å; T375-R380 PolarHBondContact O-N 2.85Å; E378-R380 HydrophobicContact CB-CG 3.89Å; E378-R380 PolarHBondContact O-N 3Å; E378-R380 IonicContact OE2-CZ 3.86Å; E378-R380 IonicContact OE2-NE 2.64Å; E378-R380 PolarHBondContact OE2-NE 2.96Å; E378-R380 IonicContact OE2-NH2 3.76Å; E378-R380 PolarHBondContact OE2-NH2 2.89Å; R380-V382 HydrophobicContact CG-CG2 3.99Å; R380-V382 PolarHBondContact O-N 3.47Å; R380-E487 IonicContact CZ-OE2 2.73Å; R380-E487 IonicContact NH1-OE2 3.15Å; R380-E487 PolarHBondContact NH1-OE2 3.06Å; R380-E487 IonicContact NH2-OE2 3.61Å
381	F	92.8	Very high	92.5	Very high	16 Å²	16	74.7 Å²	74.7	7%	0.07	36%	0.364	C	S	.	.			trans	-68	123.6	176.2	-175.1	-92.5	0	0	0	110.2	W319 I370 V383 E487 M491 L494	W319-F381 AromaticContact CD1-CD2 3.71Å; W319-F381 HydrophobicContact CD2-CD2 4.21Å; W319-F381 AromaticContact CD2-CE2 3.87Å; W319-F381 HydrophobicContact CD2-CE2 3.87Å; W319-F381 AromaticContact CE2-CD2 3.92Å; W319-F381 AromaticContact CE2-CE2 3.77Å; W319-F381 HydrophobicContact CE3-CE2 4.38Å; W319-F381 HydrophobicContact CG-CD2 4.08Å; W319-F381 HydrophobicContact CG-CE2 4.11Å; W319-F381 HydrophobicContact CZ2-CE2 4.21Å; W319-F381 AromaticContact NE1-CD2 3.58Å; W319-F381 AromaticContact NE1-CE2 3.94Å; I370-F381 HydrophobicContact CD1-CE2 3.69Å; I370-F381 HydrophobicContact CD1-CZ 4.18Å; I370-F381 HydrophobicContact CG1-CE2 3.68Å; I370-F381 HydrophobicContact CG1-CZ 3.74Å; I370-F381 HydrophobicContact CG2-CE2 4.28Å; F381-V383 HydrophobicContact CD1-CG2 4.07Å; F381-V383 HydrophobicContact CE1-CG2 3.55Å; F381-E487 HydrophobicContact CD1-CB 4.49Å; F381-M491 HydrophobicContact CB-CG 4.38Å; F381-M491 HydrophobicContact CB-SD 3.93Å; F381-M491 HydrophobicContact CD1-CB 3.66Å; F381-M491 HydrophobicContact CD1-CG 4.13Å; F381-M491 HydrophobicContact CD2-CB 4.23Å; F381-M491 HydrophobicContact CD2-CG 3.79Å; F381-M491 HydrophobicContact CD2-SD 4.22Å; F381-M491 HydrophobicContact CE1-CB 3.69Å; F381-M491 HydrophobicContact CE1-CG 4.28Å; F381-M491 HydrophobicContact CE2-CB 4.26Å; F381-M491 HydrophobicContact CE2-CG 3.96Å; F381-M491 HydrophobicContact CG-CB 3.92Å; F381-M491 HydrophobicContact CG-CG 3.85Å; F381-M491 HydrophobicContact CG-SD 4.07Å; F381-M491 HydrophobicContact CZ-CB 4Å; F381-M491 HydrophobicContact CZ-CG 4.2Å; F381-L494 HydrophobicContact CE2-CD2 4.27Å; F381-L494 HydrophobicContact CZ-CD2 3.86Å
382	V	94.4	Very high	92.5	Very high	5 Å²	5	74.7 Å²	74.7	3%	0.03	36%	0.364	C	S	.	.			trans	-120.1	129.2	-179.8	-179	0	0	0	0	110.2	D371 K374 T375 E378 R380 E487	D371-V382 HydrophobicContact CB-CB 4.49Å; D371-V382 HydrophobicContact CB-CG1 4.2Å; D371-V382 PolarHBondContact N-O 3.29Å; K374-V382 HydrophobicContact CB-CB 3.96Å; K374-V382 HydrophobicContact CB-CG1 3.78Å; K374-V382 HydrophobicContact CB-CG2 4.09Å; K374-V382 HydrophobicContact CD-CG1 3.94Å; T375-V382 PolarHBondContact OG1-N 3.49Å; E378-V382 HydrophobicContact CB-CG2 4.39Å; R380-V382 HydrophobicContact CG-CG2 3.99Å; R380-V382 PolarHBondContact O-N 3.47Å; V382-E487 WeakPolarHBondContact CA-OE1 3.44Å
383	V	95.8	Very high	92.6	Very high	8 Å²	8	78.7 Å²	78.7	5%	0.048	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-90	141.8	-179.7	176.5	0	0	0	0	110.4	V369 F381 V387 L391 E487 I490	V369-V383 WeakPolarHBondContact O-CA 3.38Å; F381-V383 HydrophobicContact CD1-CG2 4.07Å; F381-V383 HydrophobicContact CE1-CG2 3.55Å; V383-V387 HydrophobicContact CG1-CB 3.64Å; V383-V387 HydrophobicContact CG1-CG1 3.86Å; V383-V387 HydrophobicContact CG1-CG2 3.94Å; V383-L391 HydrophobicContact CB-CD2 3.71Å; V383-L391 HydrophobicContact CG1-CD2 3.98Å; V383-L391 HydrophobicContact CG2-CD2 4.21Å; V383-E487 HydrophobicContact CB-CG 4.19Å; V383-E487 HydrophobicContact CG2-CB 4.23Å; V383-E487 HydrophobicContact CG2-CG 3.84Å; V383-E487 PolarHBondContact N-OE1 3.23Å; V383-I490 HydrophobicContact CG1-CD1 4.29Å; V383-I490 HydrophobicContact CG2-CB 4.15Å; V383-I490 HydrophobicContact CG2-CD1 4.1Å; V383-I490 HydrophobicContact CG2-CG2 3.83Å
384	R	95.5	Very high	92.7	Very high	140 Å²	140	75.7 Å²	75.7	53%	0.528	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-72.1	146.8	178.5	-144.6	175.3	-157	-103.5	0.7	110.9	V369 V387	V369-R384 PolarHBondContact O-N 3.29Å; R384-V387 HydrophobicContact CB-CG2 4.36Å; R384-V387 VanDerWaalsContact O-CG2 3.27Å; R384-V387 WeakPolarHBondContact O-CG2 3.47Å; R384-V387 PolarHBondContact O-N 3.09Å
385	R	93.6	Very high	92.8	Very high	189 Å²	189	73.2 Å²	73.2	71%	0.713	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	138.8	176.2	-166.2	-178.7	-175.7	-174.9	1.8	111.2	D392 E396	R385-D392 WeakPolarHBondContact CA-OD1 3.35Å; R385-D392 WeakPolarHBondContact CG-OD1 3.35Å; R385-E396 IonicContact CZ-OE1 2.82Å; R385-E396 IonicContact NE-OE1 3.1Å; R385-E396 IonicContact NH2-OE1 2.65Å; R385-E396 PolarHBondContact NH2-OE1 2.87Å
386	G	93.1	Very high	92.8	Very high	55 Å²	55	77.2 Å²	77.2	57%	0.567	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-3.1	178.8	0	0	0	0	0	115.1	D392	G386-D392 WeakPolarHBondContact CA-OD2 3.22Å; G386-D392 PolarHBondContact N-OD1 3.3Å; G386-D392 PolarHBondContact N-OD2 3.06Å
387	V	93	Very high	93	Very high	50 Å²	50	75.1 Å²	75.1	30%	0.303	36%	0.363	S	S	.	.	S	Bend	trans	-79	-42.9	175	176.4	0	0	0	0	111	V369 V383 R384	V369-V387 HydrophobicContact CG1-CG1 4.38Å; V369-V387 HydrophobicContact CG2-CG1 4.39Å; V383-V387 HydrophobicContact CG1-CB 3.64Å; V383-V387 HydrophobicContact CG1-CG1 3.86Å; V383-V387 HydrophobicContact CG1-CG2 3.94Å; R384-V387 HydrophobicContact CB-CG2 4.36Å; R384-V387 VanDerWaalsContact O-CG2 3.27Å; R384-V387 WeakPolarHBondContact O-CG2 3.47Å; R384-V387 PolarHBondContact O-N 3.09Å
388	D	94.3	Very high	93.1	Very high	50 Å²	50	70.9 Å²	70.9	27%	0.267	34%	0.343	S	S	.	.			trans	-137.3	116.8	-179.4	-176.3	-78.4	0	0	0	110.5	T390 L391 D392 I490	D388-T390 VanDerWaalsContact C-N 3.27Å; D388-T390 PolarHBondContact O-N 3Å; D388-T390 WeakPolarHBondContact OD1-CA 3.35Å; D388-T390 WeakPolarHBondContact OD1-CB 3.38Å; D388-T390 PolarHBondContact OD1-N 3.2Å; D388-T390 PolarHBondContact OD1-OG1 2.8Å; D388-L391 HydrophobicContact CB-CB 3.9Å; D388-L391 PolarHBondContact O-N 3.07Å; D388-L391 WeakPolarHBondContact OD1-CB 3.49Å; D388-L391 PolarHBondContact OD1-N 3.3Å; D388-D392 VanDerWaalsContact O-CG 3.27Å; D388-D392 PolarHBondContact O-N 3.39Å; D388-I490 HydrophobicContact CB-CD1 3.96Å
389	T	94.2	Very high	93.3	Very high	101 Å²	101	70.1 Å²	70.1	62%	0.62	35%	0.351	S	S	*	.	H	α-helix	trans	-68.8	-24.8	-174.6	63.3	0	0	0	0	113.6	K393	T389-K393 WeakPolarHBondContact O-CG 3.21Å; T389-K393 PolarHBondContact O-N 3.37Å
390	T	93.4	Very high	93.4	Very high	66 Å²	66	67 Å²	67	41%	0.405	34%	0.344	S	S	.	.	H	α-helix	trans	-76.4	-43	176.7	32.2	0	0	0	0	111	D388 D392 K393 W394	D388-T390 VanDerWaalsContact C-N 3.27Å; D388-T390 PolarHBondContact O-N 3Å; D388-T390 WeakPolarHBondContact OD1-CA 3.35Å; D388-T390 WeakPolarHBondContact OD1-CB 3.38Å; D388-T390 PolarHBondContact OD1-N 3.2Å; D388-T390 PolarHBondContact OD1-OG1 2.8Å; T390-D392 VanDerWaalsContact C-N 3.34Å; T390-D392 PolarHBondContact O-N 3.04Å; T390-K393 WeakPolarHBondContact O-CB 3.16Å; T390-K393 PolarHBondContact O-N 3.45Å; T390-W394 PolarHBondContact O-N 2.84Å
391	L	95	Very high	93.5	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-40.9	172.7	-179.8	58.3	0	0	0	111.8	V383 D388 K393 W394 N395 I483 A486 E487 I490	V383-L391 HydrophobicContact CB-CD2 3.71Å; V383-L391 HydrophobicContact CG1-CD2 3.98Å; V383-L391 HydrophobicContact CG2-CD2 4.21Å; D388-L391 HydrophobicContact CB-CB 3.9Å; D388-L391 PolarHBondContact O-N 3.07Å; D388-L391 WeakPolarHBondContact OD1-CB 3.49Å; D388-L391 PolarHBondContact OD1-N 3.3Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 2.81Å; L391-W394 PolarHBondContact O-N 2.85Å; L391-N395 WeakPolarHBondContact O-CB 3.25Å; L391-N395 PolarHBondContact O-N 2.96Å; L391-N395 PolarHBondContact O-ND2 2.94Å; L391-I483 HydrophobicContact CD1-CB 4.21Å; L391-I483 HydrophobicContact CD1-CG1 4.21Å; L391-I483 HydrophobicContact CD1-CG2 3.96Å; L391-A486 HydrophobicContact CD1-CB 4.23Å; L391-E487 HydrophobicContact CD1-CG 4.04Å; L391-E487 HydrophobicContact CD2-CG 3.68Å; L391-I490 HydrophobicContact CD2-CD1 4Å
392	D	94.7	Very high	93.4	Very high	26 Å²	26	67.6 Å²	67.6	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-59.2	-43.9	175	-73.3	-19.6	0	0	0	111.5	R385 G386 D388 T390 N395 E396	R385-D392 WeakPolarHBondContact CA-OD1 3.35Å; R385-D392 WeakPolarHBondContact CG-OD1 3.35Å; G386-D392 WeakPolarHBondContact CA-OD2 3.22Å; G386-D392 PolarHBondContact N-OD1 3.3Å; G386-D392 PolarHBondContact N-OD2 3.06Å; D388-D392 VanDerWaalsContact O-CG 3.27Å; D388-D392 PolarHBondContact O-N 3.39Å; T390-D392 VanDerWaalsContact C-N 3.34Å; T390-D392 PolarHBondContact O-N 3.04Å; D392-N395 PolarHBondContact O-N 3.33Å; D392-E396 WeakPolarHBondContact O-CB 3.48Å; D392-E396 WeakPolarHBondContact O-CG 3.44Å; D392-E396 PolarHBondContact O-N 3.09Å
393	K	93.5	Very high	93.4	Very high	129 Å²	129	72.4 Å²	72.4	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-64.1	-41	176.3	-72.7	172.6	-175.4	177.7	0	112.6	T389 T390 L391 E396 T397	T389-K393 WeakPolarHBondContact O-CG 3.21Å; T389-K393 PolarHBondContact O-N 3.37Å; T390-K393 WeakPolarHBondContact O-CB 3.16Å; T390-K393 PolarHBondContact O-N 3.45Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 2.81Å; K393-E396 PolarHBondContact O-N 3.21Å; K393-T397 WeakPolarHBondContact O-CB 3.49Å; K393-T397 PolarHBondContact O-N 3.41Å; K393-T397 PolarHBondContact O-OG1 3.03Å
394	W	93.8	Very high	93.1	Very high	94 Å²	94	74.1 Å²	74.1	36%	0.356	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-41.3	176	-68.1	-38.7	0	0	0	111.7	T390 L391 E396 T397 Y398 V479 A482 I483 A486	T390-W394 PolarHBondContact O-N 2.84Å; L391-W394 PolarHBondContact O-N 2.85Å; W394-E396 PolarHBondContact O-N 3.4Å; W394-T397 WeakPolarHBondContact O-CB 3.34Å; W394-T397 PolarHBondContact O-N 3.27Å; W394-Y398 WeakPolarHBondContact O-CB 3.32Å; W394-Y398 PolarHBondContact O-N 3.48Å; W394-V479 HydrophobicContact CB-CG1 4.16Å; W394-V479 WeakPolarHBondContact O-CG1 3.36Å; W394-A482 HydrophobicContact CD2-CB 4.02Å; W394-A482 HydrophobicContact CE3-CB 4.14Å; W394-A482 HydrophobicContact CH2-CB 4.4Å; W394-A482 HydrophobicContact CZ2-CB 4.25Å; W394-A482 HydrophobicContact CZ3-CB 4.36Å; W394-I483 HydrophobicContact CB-CD1 4.27Å; W394-I483 HydrophobicContact CB-CG1 3.69Å; W394-A486 HydrophobicContact CE3-CB 4.33Å; W394-A486 HydrophobicContact CZ3-CB 3.79Å
395	N	92.5	Very high	93.1	Very high	52 Å²	52	68 Å²	68	28%	0.278	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-42.2	174	-82.3	-54	0	0	0	112.2	L391 D392 Y398 A399	L391-N395 WeakPolarHBondContact O-CB 3.25Å; L391-N395 PolarHBondContact O-N 2.96Å; L391-N395 PolarHBondContact O-ND2 2.94Å; D392-N395 PolarHBondContact O-N 3.33Å; N395-Y398 PolarHBondContact O-N 3.45Å; N395-A399 VanDerWaalsContact O-CB 3.32Å; N395-A399 WeakPolarHBondContact O-CB 3.22Å; N395-A399 PolarHBondContact O-N 3.43Å
396	E	93.1	Very high	93	Very high	88 Å²	88	62.5 Å²	62.5	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-45.2	173.6	-74.8	172.5	-171.1	0	0	111.5	R385 D392 K393 W394 Y398 A399 C400	R385-E396 IonicContact CZ-OE1 2.82Å; R385-E396 IonicContact NE-OE1 3.1Å; R385-E396 IonicContact NH2-OE1 2.65Å; R385-E396 PolarHBondContact NH2-OE1 2.87Å; D392-E396 WeakPolarHBondContact O-CB 3.48Å; D392-E396 WeakPolarHBondContact O-CG 3.44Å; D392-E396 PolarHBondContact O-N 3.09Å; K393-E396 PolarHBondContact O-N 3.21Å; W394-E396 PolarHBondContact O-N 3.4Å; E396-Y398 VanDerWaalsContact C-N 3.35Å; E396-Y398 PolarHBondContact O-N 3.12Å; E396-A399 PolarHBondContact O-N 3Å; E396-C400 PolarHBondContact O-N 3.38Å; E396-C400 PolarHBondContact O-SG 3.31Å
397	T	91.8	Very high	92.9	Very high	41 Å²	41	65.8 Å²	65.8	25%	0.252	36%	0.36	S	S	.	.	H	α-helix	trans	-59.6	-45.8	176.6	-57.7	0	0	0	0	111.2	K393 W394 C400 L401 Y476 V479	K393-T397 WeakPolarHBondContact O-CB 3.49Å; K393-T397 PolarHBondContact O-N 3.41Å; K393-T397 PolarHBondContact O-OG1 3.03Å; W394-T397 WeakPolarHBondContact O-CB 3.34Å; W394-T397 PolarHBondContact O-N 3.27Å; T397-C400 PolarHBondContact O-N 3.15Å; T397-L401 WeakPolarHBondContact O-CB 3.37Å; T397-L401 PolarHBondContact O-N 3.44Å; T397-Y476 HydrophobicContact CG2-CD1 3.48Å; T397-Y476 VanDerWaalsContact CG2-CD1 3.48Å; T397-Y476 HydrophobicContact CG2-CE1 3.83Å; T397-Y476 HydrophobicContact CG2-CG 4.34Å; T397-V479 HydrophobicContact CG2-CG1 4.38Å; T397-V479 HydrophobicContact CG2-CG2 4.15Å
398	Y	92.3	Very high	92.9	Very high	90 Å²	90	65.3 Å²	65.3	35%	0.353	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-41.1	178.3	-175.3	-98.8	0	0	0	111.8	W394 N395 E396 C400 L401 Y427 M480 I483	W394-Y398 WeakPolarHBondContact O-CB 3.32Å; W394-Y398 PolarHBondContact O-N 3.48Å; N395-Y398 PolarHBondContact O-N 3.45Å; E396-Y398 VanDerWaalsContact C-N 3.35Å; E396-Y398 PolarHBondContact O-N 3.12Å; Y398-C400 PolarHBondContact O-N 2.98Å; Y398-L401 VanDerWaalsContact O-CB 3.28Å; Y398-L401 WeakPolarHBondContact O-CB 3.46Å; Y398-L401 PolarHBondContact O-N 2.93Å; Y398-Y427 HydrophobicContact CD2-CE1 4.48Å; Y398-Y427 HydrophobicContact CE2-CD1 4.43Å; Y398-Y427 HydrophobicContact CE2-CE1 4.03Å; Y398-M480 HydrophobicContact CE1-CE 4Å; Y398-M480 HydrophobicContact CE2-CB 4.18Å; Y398-M480 HydrophobicContact CE2-CE 3.89Å; Y398-M480 HydrophobicContact CE2-SD 4.36Å; Y398-M480 VanDerWaalsContact CZ-CE 3.44Å; Y398-M480 VanDerWaalsContact OH-CE 3.23Å; Y398-M480 WeakPolarHBondContact OH-CE 3.26Å; Y398-I483 HydrophobicContact CG-CD1 4.12Å
399	A	92.3	Very high	92.8	Very high	69 Å²	69	63.4 Å²	63.4	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-65.3	-36.5	177.3	0	0	0	0	0	113	N395 E396 L401 P402	N395-A399 VanDerWaalsContact O-CB 3.32Å; N395-A399 WeakPolarHBondContact O-CB 3.22Å; N395-A399 PolarHBondContact O-N 3.43Å; E396-A399 PolarHBondContact O-N 3Å; A399-L401 VanDerWaalsContact C-N 3.34Å; A399-P402 WeakPolarHBondContact O-CD 3.44Å
400	C	92.8	Very high	92.6	Very high	78 Å²	78	65.6 Å²	65.6	53%	0.527	35%	0.35	S	S	.	.	H	α-helix	trans	-83.2	-8.2	177	-66.9	0	0	0	0	113.9	E396 T397 Y398 D403 L404	E396-C400 PolarHBondContact O-N 3.38Å; E396-C400 PolarHBondContact O-SG 3.31Å; T397-C400 PolarHBondContact O-N 3.15Å; Y398-C400 PolarHBondContact O-N 2.98Å; C400-D403 PolarHBondContact O-N 3.04Å; C400-L404 PolarHBondContact O-N 3.22Å; C400-L404 VanDerWaalsContact O-N 3.09Å
401	L	91.7	Very high	92.4	Very high	6 Å²	6	67.2 Å²	67.2	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-43	-173.6	-161.9	71.7	0	0	0	113.5	T397 Y398 A399 D403 L404 L405 Y427 Y433	T397-L401 WeakPolarHBondContact O-CB 3.37Å; T397-L401 PolarHBondContact O-N 3.44Å; Y398-L401 VanDerWaalsContact O-CB 3.28Å; Y398-L401 WeakPolarHBondContact O-CB 3.46Å; Y398-L401 PolarHBondContact O-N 2.93Å; A399-L401 VanDerWaalsContact C-N 3.34Å; L401-D403 VanDerWaalsContact C-N 3.32Å; L401-D403 PolarHBondContact O-N 2.98Å; L401-L404 HydrophobicContact CD1-CD2 4.45Å; L401-L404 PolarHBondContact O-N 2.99Å; L401-L405 HydrophobicContact CD2-CD1 4.31Å; L401-L405 HydrophobicContact CG-CD1 3.92Å; L401-L405 HydrophobicContact CG-CG 4.14Å; L401-L405 WeakPolarHBondContact O-CB 3.34Å; L401-L405 WeakPolarHBondContact O-CG 3.31Å; L401-L405 PolarHBondContact O-N 3.16Å; L401-Y427 HydrophobicContact CD2-CD1 3.67Å; L401-Y427 HydrophobicContact CD2-CE1 4.39Å; L401-Y427 HydrophobicContact CD2-CG 3.77Å; L401-Y433 HydrophobicContact CD1-CE1 3.66Å; L401-Y433 WeakPolarHBondContact CD1-OH 3.32Å; L401-Y433 HydrophobicContact CD2-CE1 3.88Å; L401-Y433 HydrophobicContact CG-CE1 4.12Å
402	P	91.4	Very high	92	Very high	80 Å²	80	67.6 Å²	67.6	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-40.2	178.1	-24.6	35.8	0	0	0	113.5	A399 S406	A399-P402 WeakPolarHBondContact O-CD 3.44Å; P402-S406 WeakPolarHBondContact O-CB 3.37Å; P402-S406 PolarHBondContact O-N 2.93Å; P402-S406 PolarHBondContact O-OG 3.37Å
403	D	92.6	Very high	91.7	Very high	107 Å²	107	68 Å²	68	57%	0.572	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-44.4	179.3	-64	-31.1	0	0	0	110.8	C400 L401 L405 S406 Q407	C400-D403 PolarHBondContact O-N 3.04Å; L401-D403 VanDerWaalsContact C-N 3.32Å; L401-D403 PolarHBondContact O-N 2.98Å; D403-L405 PolarHBondContact O-N 2.84Å; D403-S406 PolarHBondContact O-N 2.99Å; D403-Q407 WeakPolarHBondContact O-CG 3.24Å; D403-Q407 PolarHBondContact O-N 2.95Å
404	L	91.4	Very high	91.3	Very high	43 Å²	43	64 Å²	64	23%	0.225	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-46.3	175.7	178.1	66.8	0	0	0	111.8	C400 L401 S406 Q407 L408 L472 Y476	C400-L404 PolarHBondContact O-N 3.22Å; C400-L404 VanDerWaalsContact O-N 3.09Å; L401-L404 HydrophobicContact CD1-CD2 4.45Å; L401-L404 PolarHBondContact O-N 2.99Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 3.13Å; L404-Q407 PolarHBondContact O-N 3.44Å; L404-L408 HydrophobicContact CD1-CD1 3.99Å; L404-L408 HydrophobicContact CD1-CG 4.28Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.45Å; L404-L408 WeakPolarHBondContact O-CG 3.46Å; L404-L408 PolarHBondContact O-N 2.93Å; L404-L472 HydrophobicContact CD2-CD2 4.41Å; L404-Y476 HydrophobicContact CD2-CD2 4.46Å; L404-Y476 HydrophobicContact CD2-CE2 3.55Å; L404-Y476 WeakPolarHBondContact CD2-OH 3.21Å
405	L	93.6	Very high	90.9	Very high	13 Å²	13	66.2 Å²	66.2	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-66.7	-32.8	179.3	-67.2	177.2	0	0	0	111.8	L401 D403 A409 L425 Y433 L472	L401-L405 HydrophobicContact CD2-CD1 4.31Å; L401-L405 HydrophobicContact CG-CD1 3.92Å; L401-L405 HydrophobicContact CG-CG 4.14Å; L401-L405 WeakPolarHBondContact O-CB 3.34Å; L401-L405 WeakPolarHBondContact O-CG 3.31Å; L401-L405 PolarHBondContact O-N 3.16Å; D403-L405 PolarHBondContact O-N 2.84Å; L405-A409 WeakPolarHBondContact O-CB 3.49Å; L405-A409 PolarHBondContact O-N 3.39Å; L405-L425 HydrophobicContact CB-CB 4.05Å; L405-L425 HydrophobicContact CD2-CB 3.91Å; L405-L425 HydrophobicContact CG-CB 4.48Å; L405-Y433 HydrophobicContact CD1-CD1 4.48Å; L405-Y433 HydrophobicContact CD1-CE1 4.48Å; L405-Y433 HydrophobicContact CD2-CD1 3.71Å; L405-Y433 HydrophobicContact CD2-CE1 4.01Å; L405-L472 HydrophobicContact CD2-CD1 3.84Å
406	S	92.1	Very high	90.4	Very high	73 Å²	73	64.8 Å²	64.8	51%	0.51	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-44.9	175.6	-58.8	0	0	0	0	111.5	P402 D403 L404 A409 E410	P402-S406 WeakPolarHBondContact O-CB 3.37Å; P402-S406 PolarHBondContact O-N 2.93Å; P402-S406 PolarHBondContact O-OG 3.37Å; D403-S406 PolarHBondContact O-N 2.99Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 3.13Å; S406-A409 WeakPolarHBondContact O-CB 3.48Å; S406-A409 PolarHBondContact O-N 3.14Å; S406-E410 PolarHBondContact O-N 2.82Å
407	Q	91.7	Very high	89.7	Confident	124 Å²	124	69.4 Å²	69.4	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-62.2	-48	176.1	-70.7	173	5.7	0	0	111.8	D403 L404 A409 E410 D411	D403-Q407 WeakPolarHBondContact O-CG 3.24Å; D403-Q407 PolarHBondContact O-N 2.95Å; L404-Q407 PolarHBondContact O-N 3.44Å; Q407-A409 VanDerWaalsContact C-N 3.26Å; Q407-A409 PolarHBondContact O-N 3.11Å; Q407-E410 WeakPolarHBondContact O-CB 3.21Å; Q407-E410 PolarHBondContact O-N 3.48Å; Q407-E410 VanDerWaalsContact O-N 3.16Å; Q407-D411 PolarHBondContact O-N 2.89Å
408	L	92.6	Very high	88.8	Confident	40 Å²	40	76.5 Å²	76.5	21%	0.209	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-27.5	178.8	-68.9	175	0	0	0	112.6	L404 E410 D411 E412 L425 L472	L404-L408 HydrophobicContact CD1-CD1 3.99Å; L404-L408 HydrophobicContact CD1-CG 4.28Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.45Å; L404-L408 WeakPolarHBondContact O-CG 3.46Å; L404-L408 PolarHBondContact O-N 2.93Å; L408-E410 VanDerWaalsContact C-N 3.33Å; L408-D411 PolarHBondContact O-N 3.16Å; L408-E412 WeakPolarHBondContact O-CG 3.49Å; L408-E412 PolarHBondContact O-N 3.38Å; L408-L425 HydrophobicContact CB-CD1 3.42Å; L408-L425 VanDerWaalsContact CB-CD1 3.42Å; L408-L472 HydrophobicContact CD1-CD1 4.06Å; L408-L472 HydrophobicContact CD1-CD2 3.73Å; L408-L472 HydrophobicContact CD1-CG 4.28Å
409	A	91.8	Very high	87.9	Confident	10 Å²	10	75.3 Å²	75.3	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-34.3	174	0	0	0	0	0	112.1	L405 S406 Q407 E412 L413 L425	L405-A409 WeakPolarHBondContact O-CB 3.49Å; L405-A409 PolarHBondContact O-N 3.39Å; S406-A409 WeakPolarHBondContact O-CB 3.48Å; S406-A409 PolarHBondContact O-N 3.14Å; Q407-A409 VanDerWaalsContact C-N 3.26Å; Q407-A409 PolarHBondContact O-N 3.11Å; A409-E412 PolarHBondContact O-N 2.91Å; A409-L413 WeakPolarHBondContact O-CB 3.44Å; A409-L413 PolarHBondContact O-N 3.33Å; A409-L425 HydrophobicContact CB-CB 4.5Å; A409-L425 HydrophobicContact CB-CD1 4.5Å; A409-L425 HydrophobicContact CB-CG 4.33Å
410	E	90.1	Very high	87.4	Confident	146 Å²	146	72.1 Å²	72.1	68%	0.682	38%	0.376	S	S	*	.	H	α-helix	trans	-66.6	-41.1	173.9	-67.8	-179.5	179.2	0	0	111.6	S406 Q407 L408 L413 G414	S406-E410 PolarHBondContact O-N 2.82Å; Q407-E410 WeakPolarHBondContact O-CB 3.21Å; Q407-E410 PolarHBondContact O-N 3.48Å; Q407-E410 VanDerWaalsContact O-N 3.16Å; L408-E410 VanDerWaalsContact C-N 3.33Å; E410-L413 PolarHBondContact O-N 2.96Å; E410-G414 PolarHBondContact O-N 3.04Å
411	D	88.8	Confident	86.8	Confident	101 Å²	101	78.8 Å²	78.8	54%	0.54	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-43.5	175.3	-70.8	-21	0	0	0	111.7	Q407 L408 G414 K415	Q407-D411 PolarHBondContact O-N 2.89Å; L408-D411 PolarHBondContact O-N 3.16Å; D411-G414 PolarHBondContact O-N 3.28Å; D411-K415 PolarHBondContact O-N 2.86Å
412	E	87.9	Confident	86.6	Confident	9 Å²	9	82 Å²	82	4%	0.042	41%	0.411	C	S	.	.	H	α-helix	trans	-66.2	-40	175.5	-74.2	-54.2	128	0	0	112.4	L408 A409 G414 K415 L416 L435 N466 T468	L408-E412 WeakPolarHBondContact O-CG 3.49Å; L408-E412 PolarHBondContact O-N 3.38Å; A409-E412 PolarHBondContact O-N 2.91Å; E412-G414 PolarHBondContact O-N 3.41Å; E412-K415 PolarHBondContact O-N 3.38Å; E412-K415 VanDerWaalsContact O-N 3.12Å; E412-K415 IonicContact OE1-NZ 2.72Å; E412-K415 PolarHBondContact OE1-NZ 2.82Å; E412-L416 PolarHBondContact O-N 3.17Å; E412-L435 HydrophobicContact CB-CD1 4.25Å; E412-N466 PolarHBondContact OE2-ND2 2.9Å; E412-T468 HydrophobicContact CG-CG2 4.27Å; E412-T468 WeakPolarHBondContact OE1-CB 3.45Å; E412-T468 PolarHBondContact OE1-OG1 3.48Å
413	L	88.4	Confident	86.5	Confident	36 Å²	36	79.4 Å²	79.4	19%	0.188	39%	0.394	C	S	.	.	H	α-helix	trans	-60	-38.8	173.4	-175.3	61.3	0	0	0	110.8	A409 E410 K415 L416 R417	A409-L413 WeakPolarHBondContact O-CB 3.44Å; A409-L413 PolarHBondContact O-N 3.33Å; E410-L413 PolarHBondContact O-N 2.96Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.12Å; L413-L416 PolarHBondContact O-N 2.84Å; L413-R417 HydrophobicContact CG-CG 4.41Å; L413-R417 WeakPolarHBondContact O-CA 3.28Å; L413-R417 WeakPolarHBondContact O-CB 3.01Å; L413-R417 VanDerWaalsContact O-CG 3.24Å; L413-R417 WeakPolarHBondContact O-CG 3.39Å; L413-R417 PolarHBondContact O-N 2.98Å
414	G	85.2	Confident	86.4	Confident	45 Å²	45	74.8 Å²	74.8	46%	0.464	37%	0.371	S	S	.	.	H	α-helix	trans	-57.5	-39.1	174.2	0	0	0	0	0	113.7	E410 D411 E412	E410-G414 PolarHBondContact O-N 3.04Å; D411-G414 PolarHBondContact O-N 3.28Å; E412-G414 PolarHBondContact O-N 3.41Å
415	K	84.7	Confident	86.6	Confident	139 Å²	139	73.3 Å²	73.3	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-75.6	-31.1	178.2	-62.4	171.7	-167.8	166.8	0	113.2	D411 E412 L413	D411-K415 PolarHBondContact O-N 2.86Å; E412-K415 PolarHBondContact O-N 3.38Å; E412-K415 VanDerWaalsContact O-N 3.12Å; E412-K415 IonicContact OE1-NZ 2.72Å; E412-K415 PolarHBondContact OE1-NZ 2.82Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.12Å
416	L	83	Confident	86.5	Confident	22 Å²	22	74.8 Å²	74.8	12%	0.115	37%	0.371	C	S	.	.	H	α-helix	trans	-102.4	0.4	-173.8	-64.3	171.8	0	0	0	113.8	E412 L413 E418 N419 I420 L435 L452	E412-L416 PolarHBondContact O-N 3.17Å; L413-L416 PolarHBondContact O-N 2.84Å; L416-E418 PolarHBondContact O-N 3.5Å; L416-N419 PolarHBondContact O-N 3.29Å; L416-I420 HydrophobicContact CB-CB 4.31Å; L416-I420 HydrophobicContact CB-CD1 4.24Å; L416-I420 HydrophobicContact CD1-CD1 4.12Å; L416-I420 PolarHBondContact O-N 3.3Å; L416-L435 HydrophobicContact CD1-CD2 3.77Å; L416-L452 HydrophobicContact CD1-CD1 4.5Å
417	R	76.7	Confident	86.6	Confident	185 Å²	185	72.5 Å²	72.5	70%	0.698	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.8	-173.2	-112.2	173.7	-167.4	-178.6	5.4	115.2	L413 N419	L413-R417 HydrophobicContact CG-CG 4.41Å; L413-R417 WeakPolarHBondContact O-CA 3.28Å; L413-R417 WeakPolarHBondContact O-CB 3.01Å; L413-R417 VanDerWaalsContact O-CG 3.24Å; L413-R417 WeakPolarHBondContact O-CG 3.39Å; L413-R417 PolarHBondContact O-N 2.98Å; R417-N419 PolarHBondContact O-N 3.34Å
418	E	73.7	Confident	86.6	Confident	191 Å²	191	69.7 Å²	69.7	89%	0.893	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.4	175.8	-65.2	-171.8	166.9	0	0	112.3	L416	L416-E418 PolarHBondContact O-N 3.5Å
419	N	74	Confident	86.4	Confident	64 Å²	64	70.9 Å²	70.9	34%	0.342	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-31.9	-171.3	-71.1	-5.1	0	0	0	113.1	L416 R417 I447 Q448 L449	L416-N419 PolarHBondContact O-N 3.29Å; R417-N419 PolarHBondContact O-N 3.34Å; N419-I447 HydrophobicContact CB-CG2 3.63Å; N419-I447 WeakPolarHBondContact O-CD1 3.36Å; N419-Q448 PolarHBondContact ND2-O 3Å; N419-L449 HydrophobicContact CB-CD2 4.22Å
420	I	80.7	Confident	86.2	Confident	2 Å²	2	77 Å²	77	1%	0.01	38%	0.379	C	S	.	.			trans	-130.8	134.6	-168.4	-68	167.1	0	0	0	109	L416 T422 C423 I437 E441 L449	L416-I420 HydrophobicContact CB-CB 4.31Å; L416-I420 HydrophobicContact CB-CD1 4.24Å; L416-I420 HydrophobicContact CD1-CD1 4.12Å; L416-I420 PolarHBondContact O-N 3.3Å; I420-T422 WeakPolarHBondContact CG2-O 3.33Å; I420-C423 HydrophobicContact CG2-CB 4.28Å; I420-I437 HydrophobicContact CD1-CD1 3.48Å; I420-I437 VanDerWaalsContact CD1-CD1 3.48Å; I420-I437 HydrophobicContact CD1-CG1 4.14Å; I420-I437 HydrophobicContact CD1-CG2 4.11Å; I420-I437 HydrophobicContact CG1-CG2 4.29Å; I420-I437 HydrophobicContact CG2-CG2 3.98Å; I420-E441 WeakPolarHBondContact CA-OE2 3.33Å; I420-E441 WeakPolarHBondContact CG2-OE2 3.46Å; I420-L449 HydrophobicContact CD1-CD2 3.51Å; I420-L449 HydrophobicContact CG1-CD2 4.1Å
421	R	81.1	Confident	86.2	Confident	218 Å²	218	73.1 Å²	73.1	82%	0.823	36%	0.364	S	S	*	.	S	Bend	trans	-87.9	-32.1	177.5	-62.6	-179.7	-178.4	173.5	1.9	112.2	E441	R421-E441 PolarHBondContact N-OE2 2.79Å
422	T	86.6	Confident	86.3	Confident	74 Å²	74	68.7 Å²	68.7	45%	0.454	34%	0.342	S	S	.	.			trans	-141.5	133.7	-178.9	60.8	0	0	0	0	111.9	I420 P438 E441	I420-T422 WeakPolarHBondContact CG2-O 3.33Å; T422-P438 WeakPolarHBondContact O-CD 3.38Å; T422-P438 VanDerWaalsContact OG1-CG 3.31Å; T422-P438 WeakPolarHBondContact OG1-CG 3.34Å; T422-E441 PolarHBondContact N-OE1 2.94Å; T422-E441 PolarHBondContact N-OE2 2.8Å; T422-E441 VanDerWaalsContact N-OE2 3.08Å; T422-E441 PolarHBondContact OG1-OE1 3.22Å
423	C	89.4	Confident	86.7	Confident	26 Å²	26	68.2 Å²	68.2	18%	0.176	34%	0.34	C	S	.	.			trans	-142.1	163.1	169.5	75.3	0	0	0	0	109.9	I420 L435 K436 I437	I420-C423 HydrophobicContact CG2-CB 4.28Å; C423-L435 HydrophobicContact CB-CD1 4.09Å; C423-K436 WeakPolarHBondContact CA-O 3.38Å; C423-I437 HydrophobicContact CB-CG1 4.17Å
424	G	92	Very high	86.9	Confident	9 Å²	9	66.5 Å²	66.5	9%	0.093	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	164.9	168.4	0	0	0	0	0	111	L435 K436	G424-L435 CarbonylContact O-C 3.52Å; G424-L435 WeakPolarHBondContact O-CA 3.24Å; G424-K436 PolarHBondContact N-O 3.03Å; G424-K436 WeakPolarHBondContact O-CG 3.4Å; G424-K436 PolarHBondContact O-N 3.09Å
425	L	93.8	Very high	87.3	Confident	13 Å²	13	64.4 Å²	64.4	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140	167.6	-70.2	166.5	0	0	0	109.3	L405 L408 A409 L434 L435 T468 T469 L472	L405-L425 HydrophobicContact CB-CB 4.05Å; L405-L425 HydrophobicContact CD2-CB 3.91Å; L405-L425 HydrophobicContact CG-CB 4.48Å; L408-L425 HydrophobicContact CB-CD1 3.42Å; L408-L425 VanDerWaalsContact CB-CD1 3.42Å; A409-L425 HydrophobicContact CB-CB 4.5Å; A409-L425 HydrophobicContact CB-CD1 4.5Å; A409-L425 HydrophobicContact CB-CG 4.33Å; L425-L434 WeakPolarHBondContact CA-O 3.34Å; L425-L435 HydrophobicContact CD2-CB 4.28Å; L425-L435 HydrophobicContact CD2-CD1 3.9Å; L425-L435 HydrophobicContact CG-CD1 4.37Å; L425-T468 HydrophobicContact CD1-CG2 4.39Å; L425-T469 HydrophobicContact CD2-CG2 3.84Å; L425-L472 HydrophobicContact CD1-CD1 4.44Å
426	I	93.4	Very high	87.7	Confident	44 Å²	44	61.1 Å²	61.1	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.7	177.6	-170.9	159.8	0	0	0	109.5	F428 Y433 L434 Y463	I426-F428 HydrophobicContact CD1-CE1 4.16Å; I426-F428 HydrophobicContact CD1-CE2 3.94Å; I426-F428 HydrophobicContact CD1-CZ 3.64Å; I426-F428 HydrophobicContact CG1-CD2 4.45Å; I426-F428 HydrophobicContact CG1-CE2 4.13Å; I426-F428 HydrophobicContact CG1-CZ 4.25Å; I426-F428 HydrophobicContact CG2-CD2 4.11Å; I426-F428 HydrophobicContact CG2-CE2 3.75Å; I426-Y433 CarbonylContact O-C 3.55Å; I426-Y433 WeakPolarHBondContact O-CA 3.19Å; I426-L434 HydrophobicContact CG2-CB 4.06Å; I426-L434 PolarHBondContact N-O 3.03Å; I426-L434 PolarHBondContact O-N 3.26Å; I426-Y463 HydrophobicContact CG2-CD1 4.05Å; I426-Y463 HydrophobicContact CG2-CE1 3.91Å
427	Y	93.2	Very high	88.1	Confident	25 Å²	25	60.1 Å²	60.1	10%	0.098	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.5	172.2	163.7	-109.7	0	0	0	109.2	Y398 L401 P429 Y433 D478 V479 M480	Y398-Y427 HydrophobicContact CD2-CE1 4.48Å; Y398-Y427 HydrophobicContact CE2-CD1 4.43Å; Y398-Y427 HydrophobicContact CE2-CE1 4.03Å; L401-Y427 HydrophobicContact CD2-CD1 3.67Å; L401-Y427 HydrophobicContact CD2-CE1 4.39Å; L401-Y427 HydrophobicContact CD2-CG 3.77Å; Y427-P429 HydrophobicContact CE1-CG 4.01Å; Y427-Y433 HydrophobicContact CD2-CD1 4.1Å; Y427-Y433 HydrophobicContact CD2-CD2 4.48Å; Y427-Y433 AromaticContact CD2-CE1 3.76Å; Y427-Y433 HydrophobicContact CD2-CE1 3.76Å; Y427-Y433 HydrophobicContact CD2-CE2 4.18Å; Y427-Y433 HydrophobicContact CD2-CG 4.45Å; Y427-Y433 AromaticContact CD2-CZ 3.81Å; Y427-Y433 HydrophobicContact CG-CD1 4.32Å; Y427-Y433 AromaticContact CG-CE1 3.92Å; Y427-Y433 HydrophobicContact CG-CE1 3.92Å; Y427-D478 PolarHBondContact OH-OD1 3.4Å; Y427-V479 PolarHBondContact OH-N 3.03Å; Y427-M480 HydrophobicContact CE1-CB 4.09Å; Y427-M480 VanDerWaalsContact OH-CB 3.22Å; Y427-M480 WeakPolarHBondContact OH-CB 3.39Å; Y427-M480 PolarHBondContact OH-N 3.28Å
428	F	90.8	Very high	88.8	Confident	65 Å²	65	52.6 Å²	52.6	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.2	171.9	-76.1	-67.2	0	0	0	109.2	I426 L430 V431 G432 L434 F456 Y463	I426-F428 HydrophobicContact CD1-CE1 4.16Å; I426-F428 HydrophobicContact CD1-CE2 3.94Å; I426-F428 HydrophobicContact CD1-CZ 3.64Å; I426-F428 HydrophobicContact CG1-CD2 4.45Å; I426-F428 HydrophobicContact CG1-CE2 4.13Å; I426-F428 HydrophobicContact CG1-CZ 4.25Å; I426-F428 HydrophobicContact CG2-CD2 4.11Å; I426-F428 HydrophobicContact CG2-CE2 3.75Å; F428-L430 PolarHBondContact O-N 3.13Å; F428-V431 HydrophobicContact CB-CB 3.83Å; F428-V431 HydrophobicContact CB-CG2 4.2Å; F428-V431 PolarHBondContact O-N 2.63Å; F428-V431 VanDerWaalsContact O-N 3.1Å; F428-G432 PolarHBondContact N-O 3Å; F428-G432 PolarHBondContact O-N 3.09Å; F428-L434 HydrophobicContact CD2-CD1 3.87Å; F428-L434 HydrophobicContact CE2-CD1 4.32Å; F428-F456 HydrophobicContact CD2-CZ 4.47Å; F428-F456 HydrophobicContact CE2-CZ 4.25Å; F428-Y463 HydrophobicContact CE2-CD1 4.08Å; F428-Y463 AromaticContact CE2-CE1 3.68Å; F428-Y463 HydrophobicContact CE2-CE1 3.68Å; F428-Y463 HydrophobicContact CZ-CE1 4.17Å
429	P	88.7	Confident	89.4	Confident	64 Å²	64	45.7 Å²	45.7	42%	0.416	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	140.8	172.4	-26	34.5	0	0	0	111.5	Y427 V431 M480	Y427-P429 HydrophobicContact CE1-CG 4.01Å; P429-V431 PolarHBondContact O-N 3.08Å; P429-M480 HydrophobicContact CB-CB 4.42Å; P429-M480 HydrophobicContact CG-CB 4.11Å; P429-M480 HydrophobicContact CG-CG 4.26Å
430	L	87.9	Confident	89.9	Confident	140 Å²	140	47.7 Å²	47.7	73%	0.733	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-11.4	-174.8	-55	172.3	0	0	0	116.8	F428 D478 Y481	F428-L430 PolarHBondContact O-N 3.13Å; L430-D478 VanDerWaalsContact CA-OD2 3.24Å; L430-D478 WeakPolarHBondContact CA-OD2 3.32Å; L430-D478 PolarHBondContact N-OD2 3.36Å; L430-Y481 HydrophobicContact CD2-CD2 3.87Å; L430-Y481 HydrophobicContact CD2-CE2 4.36Å; L430-Y481 HydrophobicContact CD2-CG 4.42Å
431	V	90.5	Very high	90	Very high	63 Å²	63	49.2 Å²	49.2	38%	0.382	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-37.4	-179.9	-178.6	0	0	0	0	111.9	F428 P429 L434 F456 R465	F428-V431 HydrophobicContact CB-CB 3.83Å; F428-V431 HydrophobicContact CB-CG2 4.2Å; F428-V431 PolarHBondContact O-N 2.63Å; F428-V431 VanDerWaalsContact O-N 3.1Å; P429-V431 PolarHBondContact O-N 3.08Å; V431-L434 HydrophobicContact CG1-CD1 3.97Å; V431-F456 HydrophobicContact CG1-CE1 4.28Å; V431-R465 PolarHBondContact O-NH2 3.33Å
432	G	91.3	Very high	89.8	Confident	8 Å²	8	40.2 Å²	40.2	8%	0.082	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.7	-163.6	-178.9	0	0	0	0	0	113.7	F428 D473	F428-G432 PolarHBondContact N-O 3Å; F428-G432 PolarHBondContact O-N 3.09Å; G432-D473 WeakPolarHBondContact CA-OD1 3.43Å
433	Y	95	Very high	89.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	137.1	176.9	-62.1	-84.9	0	0	0	111	L401 L405 I426 Y427 T469 L472 D473 Y476	L401-Y433 HydrophobicContact CD1-CE1 3.66Å; L401-Y433 WeakPolarHBondContact CD1-OH 3.32Å; L401-Y433 HydrophobicContact CD2-CE1 3.88Å; L401-Y433 HydrophobicContact CG-CE1 4.12Å; L405-Y433 HydrophobicContact CD1-CD1 4.48Å; L405-Y433 HydrophobicContact CD1-CE1 4.48Å; L405-Y433 HydrophobicContact CD2-CD1 3.71Å; L405-Y433 HydrophobicContact CD2-CE1 4.01Å; I426-Y433 CarbonylContact O-C 3.55Å; I426-Y433 WeakPolarHBondContact O-CA 3.19Å; Y427-Y433 HydrophobicContact CD2-CD1 4.1Å; Y427-Y433 HydrophobicContact CD2-CD2 4.48Å; Y427-Y433 AromaticContact CD2-CE1 3.76Å; Y427-Y433 HydrophobicContact CD2-CE1 3.76Å; Y427-Y433 HydrophobicContact CD2-CE2 4.18Å; Y427-Y433 HydrophobicContact CD2-CG 4.45Å; Y427-Y433 AromaticContact CD2-CZ 3.81Å; Y427-Y433 HydrophobicContact CG-CD1 4.32Å; Y427-Y433 AromaticContact CG-CE1 3.92Å; Y427-Y433 HydrophobicContact CG-CE1 3.92Å; Y433-T469 WeakPolarHBondContact O-CB 3.28Å; Y433-L472 HydrophobicContact CD1-CB 4.17Å; Y433-L472 HydrophobicContact CD1-CD1 4.13Å; Y433-L472 HydrophobicContact CD2-CB 3.5Å; Y433-L472 HydrophobicContact CE2-CB 4.02Å; Y433-L472 HydrophobicContact CG-CB 3.6Å; Y433-L472 HydrophobicContact CG-CD1 4.14Å; Y433-L472 HydrophobicContact CG-CG 4.49Å; Y433-D473 VanDerWaalsContact CD2-OD1 3.24Å; Y433-D473 WeakPolarHBondContact CD2-OD1 3.41Å; Y433-D473 PolarHBondContact N-OD1 2.63Å; Y433-Y476 WeakPolarHBondContact OH-CB 3.44Å
434	L	94.2	Very high	88.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.9	-178.8	-61	173.9	0	0	0	111.3	L425 I426 F428 V431 A455 F456 Y463 R465	L425-L434 WeakPolarHBondContact CA-O 3.34Å; I426-L434 HydrophobicContact CG2-CB 4.06Å; I426-L434 PolarHBondContact N-O 3.03Å; I426-L434 PolarHBondContact O-N 3.26Å; F428-L434 HydrophobicContact CD2-CD1 3.87Å; F428-L434 HydrophobicContact CE2-CD1 4.32Å; V431-L434 HydrophobicContact CG1-CD1 3.97Å; L434-A455 HydrophobicContact CD2-CB 4.01Å; L434-F456 HydrophobicContact CD1-CE1 3.51Å; L434-F456 HydrophobicContact CD1-CZ 3.84Å; L434-Y463 HydrophobicContact CB-CD1 4.23Å; L434-Y463 HydrophobicContact CD1-CD1 4.17Å; L434-Y463 HydrophobicContact CD1-CG 4.29Å; L434-R465 HydrophobicContact CD2-CG 3.69Å
435	L	93.5	Very high	86.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.8	166.3	-173.5	74.5	0	0	0	108.6	E412 L416 C423 G424 L425 I437 L452 Y463 Y464	E412-L435 HydrophobicContact CB-CD1 4.25Å; L416-L435 HydrophobicContact CD1-CD2 3.77Å; C423-L435 HydrophobicContact CB-CD1 4.09Å; G424-L435 CarbonylContact O-C 3.52Å; G424-L435 WeakPolarHBondContact O-CA 3.24Å; L425-L435 HydrophobicContact CD2-CB 4.28Å; L425-L435 HydrophobicContact CD2-CD1 3.9Å; L425-L435 HydrophobicContact CG-CD1 4.37Å; L435-I437 HydrophobicContact CD2-CD1 3.75Å; L435-I437 HydrophobicContact CD2-CG1 4.19Å; L435-I437 HydrophobicContact CG-CD1 4.24Å; L435-I437 HydrophobicContact CG-CG1 4.18Å; L435-L452 HydrophobicContact CD2-CD1 4.1Å; L435-L452 HydrophobicContact CD2-CD2 3.76Å; L435-Y463 CarbonylContact O-C 3.59Å; L435-Y463 WeakPolarHBondContact O-CA 3.46Å; L435-Y464 PolarHBondContact N-O 3.41Å; L435-Y464 PolarHBondContact O-N 3.41Å
436	K	93.3	Very high	84.5	Confident	71 Å²	71	58 Å²	58	31%	0.309	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.5	174.4	69.9	-178.7	179.9	-178.6	0	110	C423 G424 M461 Y463	C423-K436 WeakPolarHBondContact CA-O 3.38Å; G424-K436 PolarHBondContact N-O 3.03Å; G424-K436 WeakPolarHBondContact O-CG 3.4Å; G424-K436 PolarHBondContact O-N 3.09Å; K436-M461 HydrophobicContact CD-CE 4.24Å; K436-M461 HydrophobicContact CG-CE 4.46Å; K436-Y463 HydrophobicContact CB-CD1 3.98Å; K436-Y463 HydrophobicContact CB-CE1 3.81Å
437	I	91.1	Very high	82.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.5	178.3	-58.1	161.9	0	0	0	108	I420 C423 L435 K439 E441 V442 L452 A462 Y464	I420-I437 HydrophobicContact CD1-CD1 3.48Å; I420-I437 VanDerWaalsContact CD1-CD1 3.48Å; I420-I437 HydrophobicContact CD1-CG1 4.14Å; I420-I437 HydrophobicContact CD1-CG2 4.11Å; I420-I437 HydrophobicContact CG1-CG2 4.29Å; I420-I437 HydrophobicContact CG2-CG2 3.98Å; C423-I437 HydrophobicContact CB-CG1 4.17Å; L435-I437 HydrophobicContact CD2-CD1 3.75Å; L435-I437 HydrophobicContact CD2-CG1 4.19Å; L435-I437 HydrophobicContact CG-CD1 4.24Å; L435-I437 HydrophobicContact CG-CG1 4.18Å; I437-K439 PolarHBondContact O-N 3.28Å; I437-E441 HydrophobicContact CG2-CB 4.11Å; I437-V442 HydrophobicContact CB-CG2 4.06Å; I437-V442 HydrophobicContact CG2-CG2 3.51Å; I437-L452 HydrophobicContact CD1-CD1 3.78Å; I437-A462 PolarHBondContact N-O 2.85Å; I437-A462 PolarHBondContact O-N 3.01Å; I437-Y464 HydrophobicContact CD1-CD2 3.77Å; I437-Y464 HydrophobicContact CD1-CE2 4.1Å; I437-Y464 HydrophobicContact CG1-CD2 4.5Å
438	P	90.5	Very high	81.4	Confident	28 Å²	28	64.9 Å²	64.9	18%	0.182	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	136.1	173.4	-21.8	33.2	0	0	0	111.8	T422 V440 E441 M461	T422-P438 WeakPolarHBondContact O-CD 3.38Å; T422-P438 VanDerWaalsContact OG1-CG 3.31Å; T422-P438 WeakPolarHBondContact OG1-CG 3.34Å; P438-V440 PolarHBondContact O-N 3.46Å; P438-E441 HydrophobicContact CB-CG 4.33Å; P438-E441 PolarHBondContact O-N 3.4Å; P438-M461 HydrophobicContact CB-SD 4.28Å; P438-M461 HydrophobicContact CG-SD 4.23Å
439	K	86.9	Confident	80.3	Confident	46 Å²	46	63.1 Å²	63.1	20%	0.2	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-53.6	-40.2	-178.7	-78.6	-179.1	173.3	179.2	0	113.4	I437 E441 V442 E443 N459 E460 A462	I437-K439 PolarHBondContact O-N 3.28Å; K439-E441 PolarHBondContact O-N 2.92Å; K439-E441 VanDerWaalsContact O-N 3.14Å; K439-V442 PolarHBondContact O-N 3.35Å; K439-E443 WeakPolarHBondContact O-CG 3.42Å; K439-E443 PolarHBondContact O-N 2.83Å; K439-N459 WeakPolarHBondContact CD-O 3.49Å; K439-N459 WeakPolarHBondContact CE-O 3.41Å; K439-N459 PolarHBondContact NZ-O 2.5Å; K439-E460 PolarHBondContact N-O 2.78Å; K439-A462 HydrophobicContact CG-CB 4.35Å
440	V	84.7	Confident	79.4	Confident	106 Å²	106	65.2 Å²	65.2	64%	0.642	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.7	179.5	-175	0	0	0	0	112.3	P438	P438-V440 PolarHBondContact O-N 3.46Å
441	E	81.6	Confident	78.9	Confident	33 Å²	33	61.7 Å²	61.7	15%	0.154	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-84.6	-9.4	179.4	-60.9	-170.8	-162.3	0	0	113.3	I420 R421 T422 I437 P438 K439 I447	I420-E441 WeakPolarHBondContact CA-OE2 3.33Å; I420-E441 WeakPolarHBondContact CG2-OE2 3.46Å; R421-E441 PolarHBondContact N-OE2 2.79Å; T422-E441 PolarHBondContact N-OE1 2.94Å; T422-E441 PolarHBondContact N-OE2 2.8Å; T422-E441 VanDerWaalsContact N-OE2 3.08Å; T422-E441 PolarHBondContact OG1-OE1 3.22Å; I437-E441 HydrophobicContact CG2-CB 4.11Å; P438-E441 HydrophobicContact CB-CG 4.33Å; P438-E441 PolarHBondContact O-N 3.4Å; K439-E441 PolarHBondContact O-N 2.92Å; K439-E441 VanDerWaalsContact O-N 3.14Å; E441-I447 WeakPolarHBondContact O-CD1 3.44Å
442	V	77.9	Confident	78.7	Confident	30 Å²	30	60.1 Å²	60.1	18%	0.182	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-24	-177.4	-168.6	0	0	0	0	112.8	I437 K439 T444 L449 Y464	I437-V442 HydrophobicContact CB-CG2 4.06Å; I437-V442 HydrophobicContact CG2-CG2 3.51Å; K439-V442 PolarHBondContact O-N 3.35Å; V442-T444 PolarHBondContact O-N 3Å; V442-L449 HydrophobicContact CB-CD1 4.32Å; V442-L449 HydrophobicContact CG1-CD1 3.41Å; V442-L449 VanDerWaalsContact CG1-CD1 3.41Å; V442-L449 HydrophobicContact CG2-CD1 4.17Å; V442-Y464 HydrophobicContact CG1-CE2 4.49Å; V442-Y464 WeakPolarHBondContact CG1-OH 3.39Å; V442-Y464 HydrophobicContact CG2-CE2 4.23Å
443	E	73.3	Confident	78.6	Confident	146 Å²	146	64.3 Å²	64.3	68%	0.682	36%	0.363	S	S	*	.	S	Bend	trans	-75.4	-4.6	177.7	-71.5	177.7	178.9	0	0	113.7	K439	K439-E443 WeakPolarHBondContact O-CG 3.42Å; K439-E443 PolarHBondContact O-N 2.83Å
444	T	66.6	Low	78.3	Confident	64 Å²	64	69.7 Å²	69.7	39%	0.393	39%	0.387	S	S	.	.	S	Bend	trans	-74.3	124.8	175.5	44	0	0	0	0	111.3	V442 D446 I447	V442-T444 PolarHBondContact O-N 3Å; T444-D446 PolarHBondContact O-N 2.91Å; T444-I447 PolarHBondContact O-N 2.88Å; T444-I447 WeakPolarHBondContact OG1-CD1 3.34Å; T444-I447 WeakPolarHBondContact OG1-CG1 3.49Å
445	P	54	Low	78.1	Confident	128 Å²	128	71.6 Å²	71.6	83%	0.831	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.7	-163.7	22.2	-33.6	0	0	0	116.6
446	D	57	Low	78	Confident	156 Å²	156	75.1 Å²	75.1	83%	0.834	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.2	-173.1	-62.2	-35.1	0	0	0	114.2	T444 Q448	T444-D446 PolarHBondContact O-N 2.91Å; D446-Q448 PolarHBondContact O-N 3.28Å
447	I	59.9	Low	77.9	Confident	42 Å²	42	75 Å²	75	22%	0.215	42%	0.423	C	S	.	.			trans	-91.4	103.3	-174.9	-54.9	-176.9	0	0	0	111	N419 E441 T444 L449	N419-I447 HydrophobicContact CB-CG2 3.63Å; N419-I447 WeakPolarHBondContact O-CD1 3.36Å; E441-I447 WeakPolarHBondContact O-CD1 3.44Å; T444-I447 PolarHBondContact O-N 2.88Å; T444-I447 WeakPolarHBondContact OG1-CD1 3.34Å; T444-I447 WeakPolarHBondContact OG1-CG1 3.49Å; I447-L449 HydrophobicContact CG2-CD2 3.54Å; I447-L449 HydrophobicContact CG2-CG 3.66Å; I447-L449 PolarHBondContact O-N 2.97Å
448	Q	60.6	Low	77.7	Confident	172 Å²	172	78.8 Å²	78.8	80%	0.804	44%	0.443	S	S	*	.			trans	-79.7	95.9	163.7	-82	-179	-7.3	0	0	110.1	N419 D446 S450	N419-Q448 PolarHBondContact ND2-O 3Å; D446-Q448 PolarHBondContact O-N 3.28Å; Q448-S450 PolarHBondContact O-N 2.9Å
449	L	67.7	Low	77.6	Confident	29 Å²	29	83.3 Å²	83.3	15%	0.152	47%	0.466	C	S	.	.			trans	-77.1	68.2	171.9	-65.5	171.7	0	0	0	110.7	N419 I420 V442 I447 G451 L452	N419-L449 HydrophobicContact CB-CD2 4.22Å; I420-L449 HydrophobicContact CD1-CD2 3.51Å; I420-L449 HydrophobicContact CG1-CD2 4.1Å; V442-L449 HydrophobicContact CB-CD1 4.32Å; V442-L449 HydrophobicContact CG1-CD1 3.41Å; V442-L449 VanDerWaalsContact CG1-CD1 3.41Å; V442-L449 HydrophobicContact CG2-CD1 4.17Å; I447-L449 HydrophobicContact CG2-CD2 3.54Å; I447-L449 HydrophobicContact CG2-CG 3.66Å; I447-L449 PolarHBondContact O-N 2.97Å; L449-G451 PolarHBondContact O-N 2.73Å; L449-L452 HydrophobicContact CB-CB 4.2Å; L449-L452 HydrophobicContact CB-CD1 3.91Å; L449-L452 HydrophobicContact CB-CG 4.17Å; L449-L452 HydrophobicContact CD1-CD1 4.05Å; L449-L452 HydrophobicContact CD2-CD1 3.98Å; L449-L452 HydrophobicContact CG-CD1 4.18Å; L449-L452 PolarHBondContact O-N 2.71Å
450	S	69.7	Low	77.7	Confident	107 Å²	107	87.6 Å²	87.6	75%	0.748	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	127.2	177.5	61.2	0	0	0	0	110.7	Q448	Q448-S450 PolarHBondContact O-N 2.9Å
451	G	78.6	Confident	78	Confident	67 Å²	67	85.2 Å²	85.2	69%	0.691	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	1.4	179.5	0	0	0	0	0	116.3	L449	L449-G451 PolarHBondContact O-N 2.73Å
452	L	85.8	Confident	78.5	Confident	30 Å²	30	83.8 Å²	83.8	16%	0.157	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-100.2	126.8	172	-59.4	-170.5	0	0	0	111.2	L416 L435 I437 L449 Y464 N466	L416-L452 HydrophobicContact CD1-CD1 4.5Å; L435-L452 HydrophobicContact CD2-CD1 4.1Å; L435-L452 HydrophobicContact CD2-CD2 3.76Å; I437-L452 HydrophobicContact CD1-CD1 3.78Å; L449-L452 HydrophobicContact CB-CB 4.2Å; L449-L452 HydrophobicContact CB-CD1 3.91Å; L449-L452 HydrophobicContact CB-CG 4.17Å; L449-L452 HydrophobicContact CD1-CD1 4.05Å; L449-L452 HydrophobicContact CD2-CD1 3.98Å; L449-L452 HydrophobicContact CG-CD1 4.18Å; L449-L452 PolarHBondContact O-N 2.71Å; L452-Y464 HydrophobicContact CB-CD1 3.86Å; L452-Y464 HydrophobicContact CB-CG 4.24Å; L452-Y464 HydrophobicContact CD1-CG 4.38Å; L452-N466 HydrophobicContact CD2-CB 3.57Å
453	E	88.7	Confident	79.2	Confident	95 Å²	95	83.1 Å²	83.1	44%	0.444	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.3	173.9	-179.4	-178.2	-174.9	0	0	109	A455 Y464 R465 R470	E453-A455 PolarHBondContact O-N 2.82Å; E453-Y464 CarbonylContact O-C 3.49Å; E453-Y464 VanDerWaalsContact O-CA 3.25Å; E453-Y464 WeakPolarHBondContact O-CA 3.4Å; E453-R465 HydrophobicContact CB-CB 4.28Å; E453-R465 PolarHBondContact N-O 2.86Å; E453-R465 PolarHBondContact O-N 3.38Å; E453-R470 IonicContact OE2-CZ 3.59Å; E453-R470 IonicContact OE2-NH2 2.67Å; E453-R470 PolarHBondContact OE2-NH2 3.35Å
454	F	89.5	Confident	80.1	Confident	114 Å²	114	77.3 Å²	77.3	50%	0.5	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.2	-179.6	176.6	-98.6	0	0	0	111.6	T457 Y464	F454-T457 HydrophobicContact CE2-CG2 3.62Å; F454-T457 HydrophobicContact CZ-CG2 3.82Å; F454-Y464 HydrophobicContact CB-CD1 4.13Å; F454-Y464 HydrophobicContact CB-CE1 3.83Å; F454-Y464 HydrophobicContact CD2-CD1 4.46Å; F454-Y464 AromaticContact CD2-CE1 3.76Å; F454-Y464 HydrophobicContact CD2-CE1 3.76Å; F454-Y464 AromaticContact CD2-CZ 3.85Å; F454-Y464 HydrophobicContact CG-CE1 4.3Å
455	A	89.5	Confident	81.4	Confident	40 Å²	40	78.6 Å²	78.6	33%	0.331	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-64.2	174.8	0	0	0	0	0	111.5	L434 E453 Y463	L434-A455 HydrophobicContact CD2-CB 4.01Å; E453-A455 PolarHBondContact O-N 2.82Å; A455-Y463 WeakPolarHBondContact CB-O 3.23Å; A455-Y463 PolarHBondContact N-O 2.93Å
456	F	91.9	Very high	83.1	Confident	73 Å²	73	72.9 Å²	72.9	32%	0.32	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	175.4	177.2	60.3	-88.5	0	0	0	110.7	F428 V431 L434 D458 Y463	F428-F456 HydrophobicContact CD2-CZ 4.47Å; F428-F456 HydrophobicContact CE2-CZ 4.25Å; V431-F456 HydrophobicContact CG1-CE1 4.28Å; L434-F456 HydrophobicContact CD1-CE1 3.51Å; L434-F456 HydrophobicContact CD1-CZ 3.84Å; F456-D458 HydrophobicContact CD2-CB 4.46Å; F456-D458 HydrophobicContact CE2-CB 4.3Å; F456-Y463 AromaticContact CD2-CD2 3.68Å; F456-Y463 HydrophobicContact CD2-CD2 3.68Å; F456-Y463 HydrophobicContact CD2-CE2 4.25Å; F456-Y463 HydrophobicContact CD2-CG 4.38Å; F456-Y463 HydrophobicContact CE1-CG 4.5Å; F456-Y463 AromaticContact CE2-CD2 3.35Å; F456-Y463 HydrophobicContact CE2-CD2 3.35Å; F456-Y463 AromaticContact CE2-CE2 3.68Å; F456-Y463 HydrophobicContact CE2-CE2 3.68Å; F456-Y463 AromaticContact CE2-CG 3.89Å; F456-Y463 HydrophobicContact CE2-CG 3.89Å; F456-Y463 HydrophobicContact CG-CD2 4.46Å; F456-Y463 HydrophobicContact CZ-CD1 4.49Å; F456-Y463 AromaticContact CZ-CD2 3.91Å; F456-Y463 HydrophobicContact CZ-CD2 3.91Å; F456-Y463 HydrophobicContact CZ-CE2 4.39Å; F456-Y463 AromaticContact CZ-CG 3.95Å; F456-Y463 HydrophobicContact CZ-CG 3.95Å; F456-Y463 PolarHBondContact N-O 3.01Å; F456-Y463 PolarHBondContact O-N 3.07Å
457	T	89.7	Confident	84.8	Confident	68 Å²	68	71.1 Å²	71.1	42%	0.417	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.3	168.3	61	0	0	0	0	110.9	F454 M461 A462	F454-T457 HydrophobicContact CE2-CG2 3.62Å; F454-T457 HydrophobicContact CZ-CG2 3.82Å; T457-M461 WeakPolarHBondContact CA-O 3.36Å; T457-M461 WeakPolarHBondContact CB-O 3.29Å; T457-A462 HydrophobicContact CG2-CB 3.94Å
458	D	88.3	Confident	86.3	Confident	80 Å²	80	70 Å²	70	43%	0.428	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.5	170	177.1	45	0	0	0	109.5	F456 E460 M461 Y463	F456-D458 HydrophobicContact CD2-CB 4.46Å; F456-D458 HydrophobicContact CE2-CB 4.3Å; D458-E460 PolarHBondContact O-N 3.34Å; D458-M461 PolarHBondContact N-O 3.02Å; D458-M461 PolarHBondContact O-N 3.28Å; D458-Y463 HydrophobicContact CB-CE2 3.89Å
459	N	87	Confident	87.9	Confident	124 Å²	124	61.8 Å²	61.8	66%	0.663	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	-124.3	-173.3	-60.5	-57.8	0	0	0	112.8	K439 M461	K439-N459 WeakPolarHBondContact CD-O 3.49Å; K439-N459 WeakPolarHBondContact CE-O 3.41Å; K439-N459 PolarHBondContact NZ-O 2.5Å; N459-M461 VanDerWaalsContact C-N 3.31Å
460	E	90.2	Very high	89.1	Confident	135 Å²	135	65.7 Å²	65.7	63%	0.631	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	10	-179.9	-64.7	-63.2	154	0	0	113.2	K439 D458	K439-E460 PolarHBondContact N-O 2.78Å; D458-E460 PolarHBondContact O-N 3.34Å
461	M	91.1	Very high	90.2	Very high	56 Å²	56	64.5 Å²	64.5	28%	0.276	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.8	-175	-59.4	-59.6	-125.3	0	0	112.3	K436 P438 T457 D458 N459 Y463	K436-M461 HydrophobicContact CD-CE 4.24Å; K436-M461 HydrophobicContact CG-CE 4.46Å; P438-M461 HydrophobicContact CB-SD 4.28Å; P438-M461 HydrophobicContact CG-SD 4.23Å; T457-M461 WeakPolarHBondContact CA-O 3.36Å; T457-M461 WeakPolarHBondContact CB-O 3.29Å; D458-M461 PolarHBondContact N-O 3.02Å; D458-M461 PolarHBondContact O-N 3.28Å; N459-M461 VanDerWaalsContact C-N 3.31Å; M461-Y463 HydrophobicContact CB-CE2 3.97Å
462	A	91.4	Very high	90.9	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.025	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.2	168.9	0	0	0	0	0	109.8	I437 K439 T457 Y464	I437-A462 PolarHBondContact N-O 2.85Å; I437-A462 PolarHBondContact O-N 3.01Å; K439-A462 HydrophobicContact CG-CB 4.35Å; T457-A462 HydrophobicContact CG2-CB 3.94Å; A462-Y464 HydrophobicContact CB-CD2 4.45Å; A462-Y464 HydrophobicContact CB-CE2 3.52Å
463	Y	93.4	Very high	91.2	Very high	17 Å²	17	62.2 Å²	62.2	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133	-175.1	-61.1	-91.3	0	0	0	110.6	I426 F428 L434 L435 K436 A455 F456 D458 M461	I426-Y463 HydrophobicContact CG2-CD1 4.05Å; I426-Y463 HydrophobicContact CG2-CE1 3.91Å; F428-Y463 HydrophobicContact CE2-CD1 4.08Å; F428-Y463 AromaticContact CE2-CE1 3.68Å; F428-Y463 HydrophobicContact CE2-CE1 3.68Å; F428-Y463 HydrophobicContact CZ-CE1 4.17Å; L434-Y463 HydrophobicContact CB-CD1 4.23Å; L434-Y463 HydrophobicContact CD1-CD1 4.17Å; L434-Y463 HydrophobicContact CD1-CG 4.29Å; L435-Y463 CarbonylContact O-C 3.59Å; L435-Y463 WeakPolarHBondContact O-CA 3.46Å; K436-Y463 HydrophobicContact CB-CD1 3.98Å; K436-Y463 HydrophobicContact CB-CE1 3.81Å; A455-Y463 WeakPolarHBondContact CB-O 3.23Å; A455-Y463 PolarHBondContact N-O 2.93Å; F456-Y463 AromaticContact CD2-CD2 3.68Å; F456-Y463 HydrophobicContact CD2-CD2 3.68Å; F456-Y463 HydrophobicContact CD2-CE2 4.25Å; F456-Y463 HydrophobicContact CD2-CG 4.38Å; F456-Y463 HydrophobicContact CE1-CG 4.5Å; F456-Y463 AromaticContact CE2-CD2 3.35Å; F456-Y463 HydrophobicContact CE2-CD2 3.35Å; F456-Y463 AromaticContact CE2-CE2 3.68Å; F456-Y463 HydrophobicContact CE2-CE2 3.68Å; F456-Y463 AromaticContact CE2-CG 3.89Å; F456-Y463 HydrophobicContact CE2-CG 3.89Å; F456-Y463 HydrophobicContact CG-CD2 4.46Å; F456-Y463 HydrophobicContact CZ-CD1 4.49Å; F456-Y463 AromaticContact CZ-CD2 3.91Å; F456-Y463 HydrophobicContact CZ-CD2 3.91Å; F456-Y463 HydrophobicContact CZ-CE2 4.39Å; F456-Y463 AromaticContact CZ-CG 3.95Å; F456-Y463 HydrophobicContact CZ-CG 3.95Å; F456-Y463 PolarHBondContact N-O 3.01Å; F456-Y463 PolarHBondContact O-N 3.07Å; D458-Y463 HydrophobicContact CB-CE2 3.89Å; M461-Y463 HydrophobicContact CB-CE2 3.97Å
464	Y	92.1	Very high	91.3	Very high	24 Å²	24	65.7 Å²	65.7	9%	0.094	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.1	-175.4	-64.3	-93	0	0	0	111.6	L435 I437 V442 L452 E453 F454 A462	L435-Y464 PolarHBondContact N-O 3.41Å; L435-Y464 PolarHBondContact O-N 3.41Å; I437-Y464 HydrophobicContact CD1-CD2 3.77Å; I437-Y464 HydrophobicContact CD1-CE2 4.1Å; I437-Y464 HydrophobicContact CG1-CD2 4.5Å; V442-Y464 HydrophobicContact CG1-CE2 4.49Å; V442-Y464 WeakPolarHBondContact CG1-OH 3.39Å; V442-Y464 HydrophobicContact CG2-CE2 4.23Å; L452-Y464 HydrophobicContact CB-CD1 3.86Å; L452-Y464 HydrophobicContact CB-CG 4.24Å; L452-Y464 HydrophobicContact CD1-CG 4.38Å; E453-Y464 CarbonylContact O-C 3.49Å; E453-Y464 VanDerWaalsContact O-CA 3.25Å; E453-Y464 WeakPolarHBondContact O-CA 3.4Å; F454-Y464 HydrophobicContact CB-CD1 4.13Å; F454-Y464 HydrophobicContact CB-CE1 3.83Å; F454-Y464 HydrophobicContact CD2-CD1 4.46Å; F454-Y464 AromaticContact CD2-CE1 3.76Å; F454-Y464 HydrophobicContact CD2-CE1 3.76Å; F454-Y464 AromaticContact CD2-CZ 3.85Å; F454-Y464 HydrophobicContact CG-CE1 4.3Å; A462-Y464 HydrophobicContact CB-CD2 4.45Å; A462-Y464 HydrophobicContact CB-CE2 3.52Å
465	R	92.6	Very high	91.3	Very high	90 Å²	90	69 Å²	69	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137	164.7	-68.2	178.1	173.2	-175.3	-5	109.2	V431 L434 E453 T469	V431-R465 PolarHBondContact O-NH2 3.33Å; L434-R465 HydrophobicContact CD2-CG 3.69Å; E453-R465 HydrophobicContact CB-CB 4.28Å; E453-R465 PolarHBondContact N-O 2.86Å; E453-R465 PolarHBondContact O-N 3.38Å; R465-T469 WeakPolarHBondContact CA-OG1 3.26Å
466	N	91.1	Very high	91.3	Very high	8 Å²	8	70.1 Å²	70.1	4%	0.043	32%	0.324	C	S	.	.			trans	-134.6	-177.9	172.2	71.3	-2.8	0	0	0	110.1	E412 L452 T468 T469 R470	E412-N466 PolarHBondContact OE2-ND2 2.9Å; L452-N466 HydrophobicContact CD2-CB 3.57Å; N466-T468 VanDerWaalsContact C-N 3.28Å; N466-T468 PolarHBondContact O-N 2.75Å; N466-T468 WeakPolarHBondContact OD1-CB 3.23Å; N466-T468 PolarHBondContact OD1-N 2.98Å; N466-T468 VanDerWaalsContact OD1-N 3.16Å; N466-T469 PolarHBondContact N-OG1 2.88Å; N466-T469 PolarHBondContact O-N 2.71Å; N466-T469 PolarHBondContact O-OG1 2.94Å; N466-T469 WeakPolarHBondContact OD1-CG2 3.35Å; N466-T469 PolarHBondContact OD1-N 2.85Å; N466-T469 PolarHBondContact OD1-OG1 3.38Å; N466-R470 WeakPolarHBondContact O-CG 2.99Å; N466-R470 PolarHBondContact O-N 3.32Å; N466-R470 VanDerWaalsContact O-N 3.07Å
467	E	91.9	Very high	91.3	Very high	120 Å²	120	67.9 Å²	67.9	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-56.4	-42.8	178.8	-169.4	58.9	-160	0	0	112.3	T469 R470 I471	E467-T469 PolarHBondContact O-N 2.96Å; E467-R470 PolarHBondContact O-N 3.21Å; E467-I471 HydrophobicContact CG-CD1 4.04Å; E467-I471 VanDerWaalsContact O-CG1 3.31Å; E467-I471 WeakPolarHBondContact O-CG1 3.45Å; E467-I471 PolarHBondContact O-N 3.06Å
468	T	91.7	Very high	91.4	Very high	18 Å²	18	66.7 Å²	66.7	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-44.9	179.1	-59.9	0	0	0	0	112.3	E412 L425 N466 R470 I471 L472	E412-T468 HydrophobicContact CG-CG2 4.27Å; E412-T468 WeakPolarHBondContact OE1-CB 3.45Å; E412-T468 PolarHBondContact OE1-OG1 3.48Å; L425-T468 HydrophobicContact CD1-CG2 4.39Å; N466-T468 VanDerWaalsContact C-N 3.28Å; N466-T468 PolarHBondContact O-N 2.75Å; N466-T468 WeakPolarHBondContact OD1-CB 3.23Å; N466-T468 PolarHBondContact OD1-N 2.98Å; N466-T468 VanDerWaalsContact OD1-N 3.16Å; T468-R470 VanDerWaalsContact C-N 3.33Å; T468-R470 PolarHBondContact O-N 3.26Å; T468-I471 PolarHBondContact O-N 3.12Å; T468-L472 HydrophobicContact CG2-CD1 4.43Å; T468-L472 WeakPolarHBondContact O-CG 3.16Å; T468-L472 PolarHBondContact O-N 3.1Å
469	T	93.4	Very high	91.6	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-37.3	175.6	57.8	0	0	0	0	112.4	L425 Y433 R465 N466 E467 L472 D473	L425-T469 HydrophobicContact CD2-CG2 3.84Å; Y433-T469 WeakPolarHBondContact O-CB 3.28Å; R465-T469 WeakPolarHBondContact CA-OG1 3.26Å; N466-T469 PolarHBondContact N-OG1 2.88Å; N466-T469 PolarHBondContact O-N 2.71Å; N466-T469 PolarHBondContact O-OG1 2.94Å; N466-T469 WeakPolarHBondContact OD1-CG2 3.35Å; N466-T469 PolarHBondContact OD1-N 2.85Å; N466-T469 PolarHBondContact OD1-OG1 3.38Å; E467-T469 PolarHBondContact O-N 2.96Å; T469-L472 PolarHBondContact O-N 3.38Å; T469-D473 PolarHBondContact O-N 2.85Å
470	R	93	Very high	91.8	Very high	111 Å²	111	59.1 Å²	59.1	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-68.2	-39	176.9	-70.7	176.3	179.1	172.2	-0.9	111.9	E453 N466 E467 T468 L472 D473 Q474	E453-R470 IonicContact OE2-CZ 3.59Å; E453-R470 IonicContact OE2-NH2 2.67Å; E453-R470 PolarHBondContact OE2-NH2 3.35Å; N466-R470 WeakPolarHBondContact O-CG 2.99Å; N466-R470 PolarHBondContact O-N 3.32Å; N466-R470 VanDerWaalsContact O-N 3.07Å; E467-R470 PolarHBondContact O-N 3.21Å; T468-R470 VanDerWaalsContact C-N 3.33Å; T468-R470 PolarHBondContact O-N 3.26Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-D473 PolarHBondContact O-N 3.35Å; R470-Q474 WeakPolarHBondContact O-CB 3.21Å; R470-Q474 WeakPolarHBondContact O-CG 3.47Å; R470-Q474 PolarHBondContact O-N 2.88Å
471	I	93.1	Very high	91.9	Very high	81 Å²	81	59 Å²	59	42%	0.415	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-41.7	173.2	-68.5	165.8	0	0	0	110.2	E467 T468 Q474 R475	E467-I471 HydrophobicContact CG-CD1 4.04Å; E467-I471 VanDerWaalsContact O-CG1 3.31Å; E467-I471 WeakPolarHBondContact O-CG1 3.45Å; E467-I471 PolarHBondContact O-N 3.06Å; T468-I471 PolarHBondContact O-N 3.12Å; I471-Q474 PolarHBondContact O-N 2.93Å; I471-R475 WeakPolarHBondContact O-CB 3.21Å; I471-R475 PolarHBondContact O-N 2.9Å
472	L	92.6	Very high	92	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-45.6	176.1	-70.5	171.9	0	0	0	111.9	L404 L405 L408 L425 Y433 T468 T469 R470 Q474 R475 Y476	L404-L472 HydrophobicContact CD2-CD2 4.41Å; L405-L472 HydrophobicContact CD2-CD1 3.84Å; L408-L472 HydrophobicContact CD1-CD1 4.06Å; L408-L472 HydrophobicContact CD1-CD2 3.73Å; L408-L472 HydrophobicContact CD1-CG 4.28Å; L425-L472 HydrophobicContact CD1-CD1 4.44Å; Y433-L472 HydrophobicContact CD1-CB 4.17Å; Y433-L472 HydrophobicContact CD1-CD1 4.13Å; Y433-L472 HydrophobicContact CD2-CB 3.5Å; Y433-L472 HydrophobicContact CE2-CB 4.02Å; Y433-L472 HydrophobicContact CG-CB 3.6Å; Y433-L472 HydrophobicContact CG-CD1 4.14Å; Y433-L472 HydrophobicContact CG-CG 4.49Å; T468-L472 HydrophobicContact CG2-CD1 4.43Å; T468-L472 WeakPolarHBondContact O-CG 3.16Å; T468-L472 PolarHBondContact O-N 3.1Å; T469-L472 PolarHBondContact O-N 3.38Å; R470-L472 VanDerWaalsContact C-N 3.32Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 2.86Å; L472-R475 PolarHBondContact O-N 3.32Å; L472-Y476 HydrophobicContact CD2-CD2 3.81Å; L472-Y476 HydrophobicContact CD2-CE2 3.72Å; L472-Y476 PolarHBondContact O-N 3.35Å
473	D	92.2	Very high	92.1	Very high	44 Å²	44	57.3 Å²	57.3	24%	0.235	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-41.4	175.3	-77.3	-29.2	0	0	0	111.3	G432 Y433 T469 R470 G477	G432-D473 WeakPolarHBondContact CA-OD1 3.43Å; Y433-D473 VanDerWaalsContact CD2-OD1 3.24Å; Y433-D473 WeakPolarHBondContact CD2-OD1 3.41Å; Y433-D473 PolarHBondContact N-OD1 2.63Å; T469-D473 PolarHBondContact O-N 2.85Å; R470-D473 PolarHBondContact O-N 3.35Å; D473-G477 WeakPolarHBondContact O-CA 3.3Å; D473-G477 PolarHBondContact O-N 3.33Å
474	Q	91.7	Very high	92.1	Very high	168 Å²	168	59.2 Å²	59.2	79%	0.785	27%	0.274	S	S	*	.	H	α-helix	trans	-71.2	-38.4	177.5	-74	176.6	8.6	0	0	113.2	R470 I471 L472	R470-Q474 WeakPolarHBondContact O-CB 3.21Å; R470-Q474 WeakPolarHBondContact O-CG 3.47Å; R470-Q474 PolarHBondContact O-N 2.88Å; I471-Q474 PolarHBondContact O-N 2.93Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 2.86Å
475	R	90.5	Very high	92.1	Very high	184 Å²	184	62.1 Å²	62.1	69%	0.694	29%	0.291	S	S	*	.	H	α-helix	trans	-80.3	-42.3	-173	-177.8	173.6	177.5	169.3	-1	112.9	I471 L472	I471-R475 WeakPolarHBondContact O-CB 3.21Å; I471-R475 PolarHBondContact O-N 2.9Å; L472-R475 PolarHBondContact O-N 3.32Å
476	Y	89.5	Confident	92.2	Very high	62 Å²	62	58.6 Å²	58.6	24%	0.243	28%	0.282	C	S	.	.	H	α-helix	trans	-110.7	-27.6	-174.3	-61.8	-68.1	0	0	0	112.8	T397 L404 Y433 L472 V479	T397-Y476 HydrophobicContact CG2-CD1 3.48Å; T397-Y476 VanDerWaalsContact CG2-CD1 3.48Å; T397-Y476 HydrophobicContact CG2-CE1 3.83Å; T397-Y476 HydrophobicContact CG2-CG 4.34Å; L404-Y476 HydrophobicContact CD2-CD2 4.46Å; L404-Y476 HydrophobicContact CD2-CE2 3.55Å; L404-Y476 WeakPolarHBondContact CD2-OH 3.21Å; Y433-Y476 WeakPolarHBondContact OH-CB 3.44Å; L472-Y476 HydrophobicContact CD2-CD2 3.81Å; L472-Y476 HydrophobicContact CD2-CE2 3.72Å; L472-Y476 PolarHBondContact O-N 3.35Å; Y476-V479 WeakPolarHBondContact O-CG2 3.06Å
477	G	90.9	Very high	92.4	Very high	27 Å²	27	58.4 Å²	58.4	28%	0.278	28%	0.28	S	S	.	.			trans	62.2	-152.7	-176.7	0	0	0	0	0	112.8	D473 V479	D473-G477 WeakPolarHBondContact O-CA 3.3Å; D473-G477 PolarHBondContact O-N 3.33Å; G477-V479 PolarHBondContact O-N 3.05Å
478	D	91.7	Very high	92.5	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.23	27%	0.269	C	S	.	.			trans	-88.5	83.3	176.3	-166.1	-19.4	0	0	0	110.6	Y427 L430 M480 Y481 A482	Y427-D478 PolarHBondContact OH-OD1 3.4Å; L430-D478 VanDerWaalsContact CA-OD2 3.24Å; L430-D478 WeakPolarHBondContact CA-OD2 3.32Å; L430-D478 PolarHBondContact N-OD2 3.36Å; D478-M480 PolarHBondContact O-N 2.9Å; D478-Y481 PolarHBondContact O-N 2.97Å; D478-Y481 WeakPolarHBondContact OD1-CB 3.21Å; D478-Y481 PolarHBondContact OD1-N 3.47Å; D478-Y481 VanDerWaalsContact OD1-N 3.11Å; D478-Y481 WeakPolarHBondContact OD2-CB 3.49Å; D478-A482 PolarHBondContact O-N 3.36Å
479	V	92	Very high	92.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-41.9	-174	-173.6	0	0	0	0	111.9	W394 T397 Y427 Y476 G477 A482 I483	W394-V479 HydrophobicContact CB-CG1 4.16Å; W394-V479 WeakPolarHBondContact O-CG1 3.36Å; T397-V479 HydrophobicContact CG2-CG1 4.38Å; T397-V479 HydrophobicContact CG2-CG2 4.15Å; Y427-V479 PolarHBondContact OH-N 3.03Å; Y476-V479 WeakPolarHBondContact O-CG2 3.06Å; G477-V479 PolarHBondContact O-N 3.05Å; V479-A482 PolarHBondContact O-N 3.07Å; V479-I483 HydrophobicContact CG1-CD1 4.08Å; V479-I483 VanDerWaalsContact O-CG1 3.27Å; V479-I483 WeakPolarHBondContact O-CG1 3.12Å; V479-I483 PolarHBondContact O-N 3.3Å
480	M	92.3	Very high	92.7	Very high	44 Å²	44	58.8 Å²	58.8	22%	0.217	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-42.5	178.9	-176	62.5	106.1	0	0	111.6	Y398 Y427 P429 D478 A482 I483 V484	Y398-M480 HydrophobicContact CE1-CE 4Å; Y398-M480 HydrophobicContact CE2-CB 4.18Å; Y398-M480 HydrophobicContact CE2-CE 3.89Å; Y398-M480 HydrophobicContact CE2-SD 4.36Å; Y398-M480 VanDerWaalsContact CZ-CE 3.44Å; Y398-M480 VanDerWaalsContact OH-CE 3.23Å; Y398-M480 WeakPolarHBondContact OH-CE 3.26Å; Y427-M480 HydrophobicContact CE1-CB 4.09Å; Y427-M480 VanDerWaalsContact OH-CB 3.22Å; Y427-M480 WeakPolarHBondContact OH-CB 3.39Å; Y427-M480 PolarHBondContact OH-N 3.28Å; P429-M480 HydrophobicContact CB-CB 4.42Å; P429-M480 HydrophobicContact CG-CB 4.11Å; P429-M480 HydrophobicContact CG-CG 4.26Å; D478-M480 PolarHBondContact O-N 2.9Å; M480-A482 VanDerWaalsContact C-N 3.33Å; M480-A482 PolarHBondContact O-N 2.92Å; M480-I483 PolarHBondContact O-N 2.64Å; M480-V484 HydrophobicContact CG-CG2 4.47Å; M480-V484 WeakPolarHBondContact O-CG2 3.49Å; M480-V484 PolarHBondContact O-N 3.39Å; M480-V484 HydrophobicContact SD-CG2 4.36Å
481	Y	91.9	Very high	92.7	Very high	132 Å²	132	55.1 Å²	55.1	52%	0.518	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.3	-177.4	-97.3	0	0	0	111.4	L430 D478 I483 V484 D485	L430-Y481 HydrophobicContact CD2-CD2 3.87Å; L430-Y481 HydrophobicContact CD2-CE2 4.36Å; L430-Y481 HydrophobicContact CD2-CG 4.42Å; D478-Y481 PolarHBondContact O-N 2.97Å; D478-Y481 WeakPolarHBondContact OD1-CB 3.21Å; D478-Y481 PolarHBondContact OD1-N 3.47Å; D478-Y481 VanDerWaalsContact OD1-N 3.11Å; D478-Y481 WeakPolarHBondContact OD2-CB 3.49Å; Y481-I483 VanDerWaalsContact C-N 3.34Å; Y481-I483 PolarHBondContact O-N 2.86Å; Y481-V484 PolarHBondContact O-N 3.5Å; Y481-D485 VanDerWaalsContact O-CB 3.29Å; Y481-D485 WeakPolarHBondContact O-CB 3.25Å; Y481-D485 PolarHBondContact O-N 3.34Å
482	A	92.7	Very high	92.6	Very high	23 Å²	23	54.7 Å²	54.7	19%	0.19	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-40.8	176.1	0	0	0	0	0	112.7	W394 D478 V479 M480 A486	W394-A482 HydrophobicContact CD2-CB 4.02Å; W394-A482 HydrophobicContact CE3-CB 4.14Å; W394-A482 HydrophobicContact CH2-CB 4.4Å; W394-A482 HydrophobicContact CZ2-CB 4.25Å; W394-A482 HydrophobicContact CZ3-CB 4.36Å; D478-A482 PolarHBondContact O-N 3.36Å; V479-A482 PolarHBondContact O-N 3.07Å; M480-A482 VanDerWaalsContact C-N 3.33Å; M480-A482 PolarHBondContact O-N 2.92Å; A482-A486 VanDerWaalsContact O-CB 3.24Å; A482-A486 WeakPolarHBondContact O-CB 3.33Å; A482-A486 PolarHBondContact O-N 2.87Å
483	I	94.1	Very high	92.7	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-52.5	174	-70.5	165.3	0	0	0	110.4	L391 W394 Y398 V479 M480 Y481 D485 A486 E487	L391-I483 HydrophobicContact CD1-CB 4.21Å; L391-I483 HydrophobicContact CD1-CG1 4.21Å; L391-I483 HydrophobicContact CD1-CG2 3.96Å; W394-I483 HydrophobicContact CB-CD1 4.27Å; W394-I483 HydrophobicContact CB-CG1 3.69Å; Y398-I483 HydrophobicContact CG-CD1 4.12Å; V479-I483 HydrophobicContact CG1-CD1 4.08Å; V479-I483 VanDerWaalsContact O-CG1 3.27Å; V479-I483 WeakPolarHBondContact O-CG1 3.12Å; V479-I483 PolarHBondContact O-N 3.3Å; M480-I483 PolarHBondContact O-N 2.64Å; Y481-I483 VanDerWaalsContact C-N 3.34Å; Y481-I483 PolarHBondContact O-N 2.86Å; I483-D485 PolarHBondContact O-N 3.14Å; I483-A486 PolarHBondContact O-N 3.37Å; I483-E487 WeakPolarHBondContact O-CB 3.36Å; I483-E487 WeakPolarHBondContact O-CG 3.3Å; I483-E487 PolarHBondContact O-N 2.97Å
484	V	92.8	Very high	92.7	Very high	57 Å²	57	58.9 Å²	58.9	35%	0.345	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-41.4	-176.7	172.7	0	0	0	0	111.7	M480 Y481 T488	M480-V484 HydrophobicContact CG-CG2 4.47Å; M480-V484 WeakPolarHBondContact O-CG2 3.49Å; M480-V484 PolarHBondContact O-N 3.39Å; M480-V484 HydrophobicContact SD-CG2 4.36Å; Y481-V484 PolarHBondContact O-N 3.5Å; V484-T488 VanDerWaalsContact O-CB 3.28Å; V484-T488 WeakPolarHBondContact O-CB 3.38Å; V484-T488 PolarHBondContact O-N 2.9Å; V484-T488 PolarHBondContact O-OG1 3.42Å
485	D	93.5	Very high	92.8	Very high	85 Å²	85	51 Å²	51	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-44	178.5	-173.8	57.7	0	0	0	111.8	Y481 I483 T488 T489	Y481-D485 VanDerWaalsContact O-CB 3.29Å; Y481-D485 WeakPolarHBondContact O-CB 3.25Å; Y481-D485 PolarHBondContact O-N 3.34Å; I483-D485 PolarHBondContact O-N 3.14Å; D485-T488 PolarHBondContact O-N 3.26Å; D485-T489 WeakPolarHBondContact O-CB 3.05Å; D485-T489 PolarHBondContact O-N 3.44Å; D485-T489 PolarHBondContact O-OG1 2.79Å
486	A	94.8	Very high	92.8	Very high	16 Å²	16	46.7 Å²	46.7	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-44.6	176.2	0	0	0	0	0	112.2	L391 W394 A482 I483 T488 T489 I490	L391-A486 HydrophobicContact CD1-CB 4.23Å; W394-A486 HydrophobicContact CE3-CB 4.33Å; W394-A486 HydrophobicContact CZ3-CB 3.79Å; A482-A486 VanDerWaalsContact O-CB 3.24Å; A482-A486 WeakPolarHBondContact O-CB 3.33Å; A482-A486 PolarHBondContact O-N 2.87Å; I483-A486 PolarHBondContact O-N 3.37Å; A486-T488 VanDerWaalsContact C-N 3.33Å; A486-T488 PolarHBondContact O-N 3.36Å; A486-T489 PolarHBondContact O-N 3.49Å; A486-I490 VanDerWaalsContact O-CG1 3.28Å; A486-I490 WeakPolarHBondContact O-CG1 3.37Å; A486-I490 PolarHBondContact O-N 3.42Å
487	E	95.3	Very high	93.1	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-38.1	175.9	-72.6	-178.9	138.9	0	0	112.1	R380 F381 V382 V383 L391 I483 I490 M491	R380-E487 IonicContact CZ-OE2 2.73Å; R380-E487 IonicContact NH1-OE2 3.15Å; R380-E487 PolarHBondContact NH1-OE2 3.06Å; R380-E487 IonicContact NH2-OE2 3.61Å; F381-E487 HydrophobicContact CD1-CB 4.49Å; V382-E487 WeakPolarHBondContact CA-OE1 3.44Å; V383-E487 HydrophobicContact CB-CG 4.19Å; V383-E487 HydrophobicContact CG2-CB 4.23Å; V383-E487 HydrophobicContact CG2-CG 3.84Å; V383-E487 PolarHBondContact N-OE1 3.23Å; L391-E487 HydrophobicContact CD1-CG 4.04Å; L391-E487 HydrophobicContact CD2-CG 3.68Å; I483-E487 WeakPolarHBondContact O-CB 3.36Å; I483-E487 WeakPolarHBondContact O-CG 3.3Å; I483-E487 PolarHBondContact O-N 2.97Å; E487-I490 PolarHBondContact O-N 2.96Å; E487-M491 VanDerWaalsContact O-CB 3.27Å; E487-M491 WeakPolarHBondContact O-CB 3.34Å; E487-M491 PolarHBondContact O-N 3.37Å
488	T	92.7	Very high	93.1	Very high	54 Å²	54	49.1 Å²	49.1	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-41.3	175.2	-59.4	0	0	0	0	111.3	V484 D485 A486 M491 H492	V484-T488 VanDerWaalsContact O-CB 3.28Å; V484-T488 WeakPolarHBondContact O-CB 3.38Å; V484-T488 PolarHBondContact O-N 2.9Å; V484-T488 PolarHBondContact O-OG1 3.42Å; D485-T488 PolarHBondContact O-N 3.26Å; A486-T488 VanDerWaalsContact C-N 3.33Å; A486-T488 PolarHBondContact O-N 3.36Å; T488-M491 HydrophobicContact CG2-CE 4.25Å; T488-M491 WeakPolarHBondContact O-CB 3.19Å; T488-M491 PolarHBondContact O-N 3.29Å; T488-H492 PolarHBondContact O-CD2 2.99Å; T488-H492 PolarHBondContact O-N 3.31Å
489	T	94	Very high	93	Very high	64 Å²	64	49 Å²	49	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-46.3	175.7	-61.7	0	0	0	0	111.3	D485 A486 M491 H492 H493	D485-T489 WeakPolarHBondContact O-CB 3.05Å; D485-T489 PolarHBondContact O-N 3.44Å; D485-T489 PolarHBondContact O-OG1 2.79Å; A486-T489 PolarHBondContact O-N 3.49Å; T489-M491 VanDerWaalsContact C-N 3.34Å; T489-M491 PolarHBondContact O-N 2.97Å; T489-H492 PolarHBondContact O-N 3.16Å; T489-H493 PolarHBondContact O-N 2.95Å; T489-H493 VanDerWaalsContact O-N 3.12Å; T489-H493 PolarHBondContact O-ND1 3.4Å
490	I	94.6	Very high	93	Very high	29 Å²	29	55.1 Å²	55.1	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-42.4	176	-67.6	166.5	0	0	0	110.6	V369 V383 D388 L391 A486 E487 H492 H493 L494	V369-I490 HydrophobicContact CG1-CG2 3.92Å; V383-I490 HydrophobicContact CG1-CD1 4.29Å; V383-I490 HydrophobicContact CG2-CB 4.15Å; V383-I490 HydrophobicContact CG2-CD1 4.1Å; V383-I490 HydrophobicContact CG2-CG2 3.83Å; D388-I490 HydrophobicContact CB-CD1 3.96Å; L391-I490 HydrophobicContact CD2-CD1 4Å; A486-I490 VanDerWaalsContact O-CG1 3.28Å; A486-I490 WeakPolarHBondContact O-CG1 3.37Å; A486-I490 PolarHBondContact O-N 3.42Å; E487-I490 PolarHBondContact O-N 2.96Å; I490-H492 PolarHBondContact O-N 3.26Å; I490-H493 PolarHBondContact O-N 3.48Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 3.43Å
491	M	93.9	Very high	92.9	Very high	33 Å²	33	56.8 Å²	56.8	16%	0.163	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-46.6	176.4	-177	-167.1	65.8	0	0	111.7	W319 F381 E487 T488 T489 L494 Q495	W319-M491 HydrophobicContact CZ2-CG 3.6Å; W319-M491 HydrophobicContact CZ2-SD 4.49Å; F381-M491 HydrophobicContact CB-CG 4.38Å; F381-M491 HydrophobicContact CB-SD 3.93Å; F381-M491 HydrophobicContact CD1-CB 3.66Å; F381-M491 HydrophobicContact CD1-CG 4.13Å; F381-M491 HydrophobicContact CD2-CB 4.23Å; F381-M491 HydrophobicContact CD2-CG 3.79Å; F381-M491 HydrophobicContact CD2-SD 4.22Å; F381-M491 HydrophobicContact CE1-CB 3.69Å; F381-M491 HydrophobicContact CE1-CG 4.28Å; F381-M491 HydrophobicContact CE2-CB 4.26Å; F381-M491 HydrophobicContact CE2-CG 3.96Å; F381-M491 HydrophobicContact CG-CB 3.92Å; F381-M491 HydrophobicContact CG-CG 3.85Å; F381-M491 HydrophobicContact CG-SD 4.07Å; F381-M491 HydrophobicContact CZ-CB 4Å; F381-M491 HydrophobicContact CZ-CG 4.2Å; E487-M491 VanDerWaalsContact O-CB 3.27Å; E487-M491 WeakPolarHBondContact O-CB 3.34Å; E487-M491 PolarHBondContact O-N 3.37Å; T488-M491 HydrophobicContact CG2-CE 4.25Å; T488-M491 WeakPolarHBondContact O-CB 3.19Å; T488-M491 PolarHBondContact O-N 3.29Å; T489-M491 VanDerWaalsContact C-N 3.34Å; T489-M491 PolarHBondContact O-N 2.97Å; M491-L494 PolarHBondContact O-N 3.41Å; M491-Q495 WeakPolarHBondContact O-CB 3.4Å; M491-Q495 PolarHBondContact O-N 3.44Å
492	H	91.9	Very high	92.6	Very high	72 Å²	72	51.4 Å²	51.4	33%	0.333	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-46	178.3	-78	-56.1	0	0	0	112.1	T488 T489 I490 L494 Q495 D496	T488-H492 PolarHBondContact O-CD2 2.99Å; T488-H492 PolarHBondContact O-N 3.31Å; T489-H492 PolarHBondContact O-N 3.16Å; I490-H492 PolarHBondContact O-N 3.26Å; H492-L494 VanDerWaalsContact C-N 3.29Å; H492-L494 PolarHBondContact O-N 3.3Å; H492-Q495 WeakPolarHBondContact O-CB 3.41Å; H492-Q495 PolarHBondContact O-N 2.94Å; H492-D496 PolarHBondContact O-N 3.33Å
493	H	92.9	Very high	92.1	Very high	127 Å²	127	57 Å²	57	59%	0.588	28%	0.284	S	S	*	.	H	α-helix	trans	-60.2	-39	174.5	-69.5	149.5	0	0	0	112.7	T489 I490 R497	T489-H493 PolarHBondContact O-N 2.95Å; T489-H493 VanDerWaalsContact O-N 3.12Å; T489-H493 PolarHBondContact O-ND1 3.4Å; I490-H493 PolarHBondContact O-N 3.48Å; H493-R497 WeakPolarHBondContact O-CB 3.36Å; H493-R497 PolarHBondContact O-N 3.28Å; H493-R497 VanDerWaalsContact O-N 3.12Å
494	L	93.5	Very high	91.9	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-41.1	177.1	-167.3	69.8	0	0	0	111.4	W319 W365 L366 V369 I370 F381 I490 M491 H492 L498	W319-L494 HydrophobicContact CE3-CD2 4.41Å; W319-L494 HydrophobicContact CH2-CB 4.36Å; W319-L494 HydrophobicContact CH2-CD2 4.21Å; W319-L494 HydrophobicContact CH2-CG 4.31Å; W319-L494 HydrophobicContact CZ3-CD2 3.85Å; W319-L494 HydrophobicContact CZ3-CG 4.13Å; W365-L494 HydrophobicContact CD2-CD1 4.38Å; W365-L494 HydrophobicContact CE3-CD1 3.67Å; W365-L494 HydrophobicContact CH2-CD1 4.21Å; W365-L494 HydrophobicContact CZ3-CD1 3.52Å; W365-L494 HydrophobicContact CZ3-CG 4.38Å; L366-L494 HydrophobicContact CD2-CD1 4.03Å; L366-L494 HydrophobicContact CD2-CD2 3.72Å; L366-L494 HydrophobicContact CD2-CG 3.81Å; V369-L494 HydrophobicContact CB-CD1 4.35Å; V369-L494 HydrophobicContact CB-CD2 4.3Å; V369-L494 HydrophobicContact CG1-CD1 4.36Å; V369-L494 HydrophobicContact CG1-CD2 3.93Å; V369-L494 HydrophobicContact CG2-CD1 4.27Å; I370-L494 HydrophobicContact CD1-CD2 3.65Å; I370-L494 HydrophobicContact CG1-CD2 3.74Å; F381-L494 HydrophobicContact CE2-CD2 4.27Å; F381-L494 HydrophobicContact CZ-CD2 3.86Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 3.43Å; M491-L494 PolarHBondContact O-N 3.41Å; H492-L494 VanDerWaalsContact C-N 3.29Å; H492-L494 PolarHBondContact O-N 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.27Å; L494-L498 PolarHBondContact O-N 3.03Å
495	Q	92.7	Very high	91.7	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-51	176	-172.8	-174.9	-86	0	0	111.2	M309 S312 W319 M491 H492 R497 L498 L499	M309-Q495 HydrophobicContact CB-CG 3.94Å; M309-Q495 HydrophobicContact CG-CG 4.31Å; M309-Q495 PolarHBondContact O-NE2 3Å; M309-Q495 PolarHBondContact O-OE1 3.11Å; S312-Q495 PolarHBondContact OG-NE2 2.98Å; W319-Q495 HydrophobicContact CH2-CB 4.02Å; W319-Q495 HydrophobicContact CZ2-CB 4.35Å; M491-Q495 WeakPolarHBondContact O-CB 3.4Å; M491-Q495 PolarHBondContact O-N 3.44Å; H492-Q495 WeakPolarHBondContact O-CB 3.41Å; H492-Q495 PolarHBondContact O-N 2.94Å; Q495-R497 VanDerWaalsContact C-N 3.29Å; Q495-R497 PolarHBondContact O-N 2.99Å; Q495-L498 WeakPolarHBondContact O-CB 3.4Å; Q495-L498 PolarHBondContact O-N 3.35Å; Q495-L499 HydrophobicContact CG-CD1 4.26Å; Q495-L499 WeakPolarHBondContact O-CG 3.19Å; Q495-L499 PolarHBondContact O-N 2.85Å
496	D	92.2	Very high	91.3	Very high	93 Å²	93	53.2 Å²	53.2	50%	0.497	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-43.9	-179.8	-71.4	-18	0	0	0	111.3	H492 L498 L499 I500	H492-D496 PolarHBondContact O-N 3.33Å; D496-L498 VanDerWaalsContact C-N 3.28Å; D496-L498 PolarHBondContact O-N 3Å; D496-L499 PolarHBondContact O-N 2.93Å; D496-I500 PolarHBondContact O-N 3.15Å
497	R	93.9	Very high	90.9	Very high	140 Å²	140	54.5 Å²	54.5	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-29.6	177	-175.2	172.9	170.9	-169.9	3.8	112.4	W365 H493 Q495 Y501	W365-R497 HydrophobicContact CE3-CG 4.09Å; W365-R497 HydrophobicContact CH2-CB 3.77Å; W365-R497 HydrophobicContact CH2-CG 3.63Å; W365-R497 HydrophobicContact CZ3-CB 3.52Å; W365-R497 HydrophobicContact CZ3-CG 3.25Å; H493-R497 WeakPolarHBondContact O-CB 3.36Å; H493-R497 PolarHBondContact O-N 3.28Å; H493-R497 VanDerWaalsContact O-N 3.12Å; Q495-R497 VanDerWaalsContact C-N 3.29Å; Q495-R497 PolarHBondContact O-N 2.99Å; R497-Y501 VanDerWaalsContact O-CD2 3.25Å; R497-Y501 WeakPolarHBondContact O-CD2 3.31Å
498	L	92.2	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73.1	-39.7	178.1	-179.2	151.9	0	0	0	109.3	M309 W319 I322 W365 L366 L494 Q495 D496 I500 Y501 T502 I505	M309-L498 HydrophobicContact CE-CD1 4.44Å; M309-L498 HydrophobicContact SD-CD1 4.24Å; M309-L498 HydrophobicContact SD-CD2 3.73Å; W319-L498 HydrophobicContact CZ3-CD1 4.38Å; I322-L498 HydrophobicContact CG1-CD1 4.46Å; W365-L498 HydrophobicContact CH2-CB 3.8Å; W365-L498 VanDerWaalsContact CH2-N 3.32Å; W365-L498 HydrophobicContact CZ2-CB 3.95Å; W365-L498 HydrophobicContact CZ2-CG 4.44Å; L366-L498 HydrophobicContact CD1-CD1 4.02Å; L366-L498 HydrophobicContact CD2-CD1 4.21Å; L494-L498 WeakPolarHBondContact O-CB 3.27Å; L494-L498 PolarHBondContact O-N 3.03Å; Q495-L498 WeakPolarHBondContact O-CB 3.4Å; Q495-L498 PolarHBondContact O-N 3.35Å; D496-L498 VanDerWaalsContact C-N 3.28Å; D496-L498 PolarHBondContact O-N 3Å; L498-I500 PolarHBondContact O-N 2.88Å; L498-Y501 PolarHBondContact O-N 3.1Å; L498-T502 PolarHBondContact O-N 3.4Å; L498-I505 HydrophobicContact CD2-CD1 4Å; L498-I505 HydrophobicContact CG-CD1 4.14Å
499	L	89.5	Confident	90.5	Very high	40 Å²	40	52 Å²	52	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-27.3	179.8	-70	175.5	0	0	0	112.7	I306 M309 Q310 Q495 D496 Y501 T502	I306-L499 HydrophobicContact CG2-CD2 4.49Å; M309-L499 HydrophobicContact CB-CD2 4.14Å; Q310-L499 HydrophobicContact CG-CD1 4.4Å; Q310-L499 HydrophobicContact CG-CD2 3.63Å; Q495-L499 HydrophobicContact CG-CD1 4.26Å; Q495-L499 WeakPolarHBondContact O-CG 3.19Å; Q495-L499 PolarHBondContact O-N 2.85Å; D496-L499 PolarHBondContact O-N 2.93Å; L499-Y501 PolarHBondContact O-N 2.85Å; L499-T502 WeakPolarHBondContact CA-OG1 3.34Å; L499-T502 VanDerWaalsContact O-CB 3.24Å; L499-T502 WeakPolarHBondContact O-CB 3.41Å; L499-T502 PolarHBondContact O-N 2.88Å; L499-T502 VanDerWaalsContact O-N 3.13Å; L499-T502 PolarHBondContact O-OG1 3.44Å
500	I	91.1	Very high	90.2	Very high	130 Å²	130	49.8 Å²	49.8	67%	0.667	24%	0.237	S	C	*	.	H	α-helix	trans	-57.2	-35.5	169.9	-62.7	171.6	0	0	0	111.5	D496 L498	D496-I500 PolarHBondContact O-N 3.15Å; L498-I500 PolarHBondContact O-N 2.88Å
501	Y	90.9	Very high	90.1	Very high	79 Å²	79	48.9 Å²	48.9	31%	0.31	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	10.8	-179.3	-59.8	-77.3	0	0	0	113.7	I358 V362 R497 L498 L499 Q503 S504 I505	I358-Y501 HydrophobicContact CG2-CD1 3.51Å; I358-Y501 HydrophobicContact CG2-CE1 4.06Å; I358-Y501 HydrophobicContact CG2-CG 4.22Å; V362-Y501 HydrophobicContact CG2-CD1 4.24Å; V362-Y501 HydrophobicContact CG2-CD2 3.74Å; V362-Y501 HydrophobicContact CG2-CE2 4.23Å; V362-Y501 HydrophobicContact CG2-CG 3.75Å; R497-Y501 VanDerWaalsContact O-CD2 3.25Å; R497-Y501 WeakPolarHBondContact O-CD2 3.31Å; L498-Y501 PolarHBondContact O-N 3.1Å; L499-Y501 PolarHBondContact O-N 2.85Å; Y501-Q503 PolarHBondContact O-N 3.35Å; Y501-Q503 VanDerWaalsContact O-N 3.15Å; Y501-S504 PolarHBondContact O-N 3.45Å; Y501-S504 VanDerWaalsContact O-N 3.09Å; Y501-I505 WeakPolarHBondContact O-CG1 3.4Å; Y501-I505 PolarHBondContact O-N 3.07Å
502	T	84.8	Confident	90.2	Very high	19 Å²	19	47.3 Å²	47.3	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-49.5	-44.9	-178.4	-67.1	0	0	0	0	112.2	I306 L498 L499 S504 I505 L506	I306-T502 HydrophobicContact CD1-CG2 4.41Å; I306-T502 HydrophobicContact CG2-CG2 3.78Å; L498-T502 PolarHBondContact O-N 3.4Å; L499-T502 WeakPolarHBondContact CA-OG1 3.34Å; L499-T502 VanDerWaalsContact O-CB 3.24Å; L499-T502 WeakPolarHBondContact O-CB 3.41Å; L499-T502 PolarHBondContact O-N 2.88Å; L499-T502 VanDerWaalsContact O-N 3.13Å; L499-T502 PolarHBondContact O-OG1 3.44Å; T502-S504 PolarHBondContact O-N 3.15Å; T502-I505 PolarHBondContact O-N 3.22Å; T502-L506 HydrophobicContact CG2-CD1 3.72Å; T502-L506 HydrophobicContact CG2-CG 4.17Å; T502-L506 WeakPolarHBondContact O-CB 3.04Å; T502-L506 VanDerWaalsContact O-CG 3.3Å; T502-L506 WeakPolarHBondContact O-CG 3.34Å; T502-L506 PolarHBondContact O-N 3.34Å
503	Q	83.6	Confident	90.2	Very high	140 Å²	140	43.9 Å²	43.9	65%	0.654	21%	0.208	S	C	*	.	H	α-helix	trans	-61.6	-46.4	-178.4	-174.6	176.6	-4.9	0	0	112.2	Y501 L506 Q507	Y501-Q503 PolarHBondContact O-N 3.35Å; Y501-Q503 VanDerWaalsContact O-N 3.15Å; Q503-L506 PolarHBondContact O-N 3.23Å; Q503-Q507 VanDerWaalsContact O-CG 3.3Å; Q503-Q507 WeakPolarHBondContact O-CG 3.32Å; Q503-Q507 PolarHBondContact O-N 3.18Å
504	S	88.9	Confident	90.2	Very high	19 Å²	19	39 Å²	39	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-41.2	178.1	-55.4	0	0	0	0	111.5	F354 Y501 T502 L506 Q507 A508	F354-S504 WeakPolarHBondContact CE2-O 3.36Å; Y501-S504 PolarHBondContact O-N 3.45Å; Y501-S504 VanDerWaalsContact O-N 3.09Å; T502-S504 PolarHBondContact O-N 3.15Å; S504-L506 VanDerWaalsContact C-N 3.34Å; S504-L506 PolarHBondContact O-N 3.39Å; S504-Q507 PolarHBondContact O-N 3.02Å; S504-A508 PolarHBondContact O-N 3.08Å
505	I	88.3	Confident	90.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-42.3	177.4	-60.9	169.7	0	0	0	110.6	T302 I306 L326 I359 V362 L498 Y501 T502 A508 S509	T302-I505 HydrophobicContact CG2-CG2 3.49Å; T302-I505 VanDerWaalsContact CG2-CG2 3.49Å; I306-I505 HydrophobicContact CD1-CB 4.35Å; I306-I505 HydrophobicContact CD1-CG2 3.91Å; L326-I505 HydrophobicContact CD2-CG1 4.12Å; L326-I505 HydrophobicContact CD2-CG2 4.31Å; I359-I505 HydrophobicContact CD1-CG1 4.25Å; V362-I505 HydrophobicContact CG1-CD1 4.25Å; L498-I505 HydrophobicContact CD2-CD1 4Å; L498-I505 HydrophobicContact CG-CD1 4.14Å; Y501-I505 WeakPolarHBondContact O-CG1 3.4Å; Y501-I505 PolarHBondContact O-N 3.07Å; T502-I505 PolarHBondContact O-N 3.22Å; I505-A508 PolarHBondContact O-N 3.34Å; I505-S509 WeakPolarHBondContact O-CB 3.31Å; I505-S509 PolarHBondContact O-N 3.44Å
506	L	85.7	Confident	90.7	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.225	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-38.1	176.6	-70.9	177.5	0	0	0	112.3	Q303 I306 T502 Q503 S504 S509 Q510	Q303-L506 HydrophobicContact CG-CD2 3.92Å; I306-L506 HydrophobicContact CD1-CD2 3.65Å; I306-L506 HydrophobicContact CD1-CG 3.92Å; T502-L506 HydrophobicContact CG2-CD1 3.72Å; T502-L506 HydrophobicContact CG2-CG 4.17Å; T502-L506 WeakPolarHBondContact O-CB 3.04Å; T502-L506 VanDerWaalsContact O-CG 3.3Å; T502-L506 WeakPolarHBondContact O-CG 3.34Å; T502-L506 PolarHBondContact O-N 3.34Å; Q503-L506 PolarHBondContact O-N 3.23Å; S504-L506 VanDerWaalsContact C-N 3.34Å; S504-L506 PolarHBondContact O-N 3.39Å; L506-S509 WeakPolarHBondContact O-CB 3.32Å; L506-S509 PolarHBondContact O-N 3Å; L506-Q510 PolarHBondContact O-N 2.79Å
507	Q	86.7	Confident	90.9	Very high	44 Å²	44	33.8 Å²	33.8	21%	0.206	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-43.5	173.6	-74.6	174.6	-42.4	0	0	112	L349 F354 Q503 S504 S509 Q510 F511	L349-Q507 HydrophobicContact CD1-CB 4.47Å; F354-Q507 HydrophobicContact CD2-CB 4.04Å; F354-Q507 HydrophobicContact CE2-CB 4.37Å; Q503-Q507 VanDerWaalsContact O-CG 3.3Å; Q503-Q507 WeakPolarHBondContact O-CG 3.32Å; Q503-Q507 PolarHBondContact O-N 3.18Å; S504-Q507 PolarHBondContact O-N 3.02Å; Q507-S509 VanDerWaalsContact C-N 3.33Å; Q507-Q510 PolarHBondContact O-N 2.86Å; Q507-F511 WeakPolarHBondContact O-CB 3.45Å; Q507-F511 PolarHBondContact O-N 2.84Å
508	A	91.2	Very high	91	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-35.8	174.8	0	0	0	0	0	112.1	M329 I333 F354 I359 S504 I505 F511 A512	M329-A508 HydrophobicContact CB-CB 4.35Å; M329-A508 HydrophobicContact CG-CB 4.37Å; M329-A508 HydrophobicContact SD-CB 3.74Å; I333-A508 HydrophobicContact CD1-CB 4.49Å; F354-A508 HydrophobicContact CE2-CB 4.22Å; F354-A508 HydrophobicContact CZ-CB 4.01Å; I359-A508 HydrophobicContact CD1-CB 4.04Å; I359-A508 HydrophobicContact CG1-CB 4.19Å; S504-A508 PolarHBondContact O-N 3.08Å; I505-A508 PolarHBondContact O-N 3.34Å; A508-F511 PolarHBondContact O-N 3.09Å; A508-A512 WeakPolarHBondContact O-CB 3.31Å; A508-A512 PolarHBondContact O-N 3.16Å
509	S	88.8	Confident	91.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-48.6	172.5	178.9	0	0	0	0	112	Q251 I505 L506 Q507 F511 A512 A513	Q251-S509 VanDerWaalsContact CD-OG 3.29Å; Q251-S509 PolarHBondContact NE2-O 2.84Å; Q251-S509 PolarHBondContact NE2-OG 2.72Å; Q251-S509 PolarHBondContact OE1-OG 2.88Å; I505-S509 WeakPolarHBondContact O-CB 3.31Å; I505-S509 PolarHBondContact O-N 3.44Å; L506-S509 WeakPolarHBondContact O-CB 3.32Å; L506-S509 PolarHBondContact O-N 3Å; Q507-S509 VanDerWaalsContact C-N 3.33Å; S509-F511 PolarHBondContact O-N 3.37Å; S509-A512 PolarHBondContact O-N 2.92Å; S509-A513 WeakPolarHBondContact O-CB 3.46Å; S509-A513 PolarHBondContact O-N 3.25Å
510	Q	87.3	Confident	91.7	Very high	19 Å²	19	25.2 Å²	25.2	9%	0.089	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-46.5	175.8	-178.3	64.2	18.7	0	0	111.2	E71 E255 L506 Q507 A512 A513 E514	E71-Q510 WeakPolarHBondContact OE2-CG 3.41Å; E255-Q510 VanDerWaalsContact CD-NE2 3.29Å; E255-Q510 PolarHBondContact OE1-NE2 3.08Å; E255-Q510 PolarHBondContact OE2-NE2 2.94Å; L506-Q510 PolarHBondContact O-N 2.79Å; Q507-Q510 PolarHBondContact O-N 2.86Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 3.42Å; Q510-A513 WeakPolarHBondContact O-CB 3.46Å; Q510-A513 PolarHBondContact O-N 2.78Å; Q510-E514 PolarHBondContact NE2-OE1 2.81Å; Q510-E514 VanDerWaalsContact NE2-OE1 3.08Å; Q510-E514 WeakPolarHBondContact O-CG 3.48Å; Q510-E514 PolarHBondContact O-N 3.29Å
511	F	92.6	Very high	92	Very high	9 Å²	9	19 Å²	19	4%	0.039	9%	0.091	C	C	.	.	H	α-helix	trans	-54.1	-48.6	175	168.3	-99.1	0	0	0	112	L332 I333 C336 P345 V346 L349 Q507 A508 S509 A513 E514 I515	L332-F511 HydrophobicContact CB-CE1 4.3Å; I333-F511 HydrophobicContact CG1-CD1 3.93Å; I333-F511 HydrophobicContact CG1-CE1 3.77Å; C336-F511 HydrophobicContact CB-CZ 3.98Å; P345-F511 HydrophobicContact CB-CD2 3.78Å; P345-F511 HydrophobicContact CB-CE2 3.91Å; V346-F511 HydrophobicContact CB-CE2 4.43Å; V346-F511 HydrophobicContact CG2-CE2 3.8Å; V346-F511 HydrophobicContact CG2-CZ 4.09Å; L349-F511 HydrophobicContact CB-CD2 4.33Å; L349-F511 HydrophobicContact CD1-CB 4.21Å; L349-F511 HydrophobicContact CD2-CB 4.37Å; L349-F511 HydrophobicContact CD2-CD1 4.36Å; L349-F511 HydrophobicContact CD2-CD2 4.05Å; L349-F511 HydrophobicContact CD2-CE2 4.48Å; L349-F511 HydrophobicContact CD2-CG 3.99Å; Q507-F511 WeakPolarHBondContact O-CB 3.45Å; Q507-F511 PolarHBondContact O-N 2.84Å; A508-F511 PolarHBondContact O-N 3.09Å; S509-F511 PolarHBondContact O-N 3.37Å; F511-A513 VanDerWaalsContact C-N 3.32Å; F511-A513 PolarHBondContact O-N 3.44Å; F511-E514 PolarHBondContact O-N 3.33Å; F511-I515 HydrophobicContact CD2-CG1 4.31Å; F511-I515 HydrophobicContact CE1-CG1 4.18Å; F511-I515 HydrophobicContact CE2-CD1 4.14Å; F511-I515 HydrophobicContact CE2-CG1 3.85Å; F511-I515 HydrophobicContact CZ-CD1 4.21Å; F511-I515 HydrophobicContact CZ-CG1 3.77Å; F511-I515 WeakPolarHBondContact O-CG1 3.45Å; F511-I515 PolarHBondContact O-N 3.4Å
512	A	95.1	Very high	92.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.6	-36.7	177.3	0	0	0	0	0	112.3	L332 A508 S509 Q510 D516	L332-A512 HydrophobicContact CD1-CB 3.97Å; A508-A512 WeakPolarHBondContact O-CB 3.31Å; A508-A512 PolarHBondContact O-N 3.16Å; S509-A512 PolarHBondContact O-N 2.92Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 3.42Å; A512-D516 WeakPolarHBondContact O-CB 3.41Å; A512-D516 PolarHBondContact O-N 3.37Å
513	A	91.8	Very high	92.9	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-65.1	-42.9	176.4	0	0	0	0	0	112.3	Q251 E255 S509 Q510 F511 D516 C517	Q251-A513 HydrophobicContact CB-CB 4.15Å; Q251-A513 HydrophobicContact CG-CB 3.97Å; E255-A513 HydrophobicContact CB-CB 4.04Å; E255-A513 HydrophobicContact CG-CB 4.42Å; S509-A513 WeakPolarHBondContact O-CB 3.46Å; S509-A513 PolarHBondContact O-N 3.25Å; Q510-A513 WeakPolarHBondContact O-CB 3.46Å; Q510-A513 PolarHBondContact O-N 2.78Å; F511-A513 VanDerWaalsContact C-N 3.32Å; F511-A513 PolarHBondContact O-N 3.44Å; A513-D516 PolarHBondContact O-N 3.34Å; A513-C517 PolarHBondContact O-N 3.33Å; A513-C517 PolarHBondContact O-SG 2.66Å
514	E	94.1	Very high	93.5	Very high	23 Å²	23	9.2 Å²	9.2	11%	0.107	5%	0.047	C	C	.	.	H	α-helix	trans	-67.2	-42.4	177.5	-66.2	-165.3	-163	0	0	112.3	W259 Y344 P345 Q510 F511 D516 C517 L518	W259-E514 HydrophobicContact CH2-CB 4.45Å; W259-E514 HydrophobicContact CZ2-CB 4.07Å; W259-E514 HydrophobicContact CZ2-CG 3.91Å; Y344-E514 WeakPolarHBondContact CE2-OE2 3.39Å; Y344-E514 PolarHBondContact OH-OE2 2.83Å; P345-E514 HydrophobicContact CB-CB 4.34Å; P345-E514 HydrophobicContact CG-CB 4.15Å; Q510-E514 PolarHBondContact NE2-OE1 2.81Å; Q510-E514 VanDerWaalsContact NE2-OE1 3.08Å; Q510-E514 WeakPolarHBondContact O-CG 3.48Å; Q510-E514 PolarHBondContact O-N 3.29Å; F511-E514 PolarHBondContact O-N 3.33Å; E514-D516 VanDerWaalsContact C-N 3.32Å; E514-D516 PolarHBondContact O-N 3.37Å; E514-C517 WeakPolarHBondContact O-CB 3.46Å; E514-C517 PolarHBondContact O-N 2.81Å; E514-L518 WeakPolarHBondContact O-CG 3.22Å; E514-L518 PolarHBondContact O-N 2.83Å
515	I	97.3	Very high	93.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.1	-43.8	173.8	-67.8	-67.3	0	0	0	110.5	I292 P345 F511 C517 L518 C519	I292-I515 HydrophobicContact CD1-CG2 4.28Å; I292-I515 HydrophobicContact CG2-CG2 3.8Å; P345-I515 HydrophobicContact CB-CD1 4.12Å; P345-I515 HydrophobicContact CB-CG1 4.38Å; P345-I515 HydrophobicContact CG-CD1 3.99Å; F511-I515 HydrophobicContact CD2-CG1 4.31Å; F511-I515 HydrophobicContact CE1-CG1 4.18Å; F511-I515 HydrophobicContact CE2-CD1 4.14Å; F511-I515 HydrophobicContact CE2-CG1 3.85Å; F511-I515 HydrophobicContact CZ-CD1 4.21Å; F511-I515 HydrophobicContact CZ-CG1 3.77Å; F511-I515 WeakPolarHBondContact O-CG1 3.45Å; F511-I515 PolarHBondContact O-N 3.4Å; I515-C517 VanDerWaalsContact C-N 3.32Å; I515-C517 PolarHBondContact O-N 2.94Å; I515-L518 PolarHBondContact O-N 3.42Å; I515-C519 WeakPolarHBondContact O-CB 3.34Å; I515-C519 PolarHBondContact O-N 3.5Å; I515-C519 PolarHBondContact O-SG 3.21Å
516	D	97.6	Very high	94.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.9	-41	176.5	-165.1	18.5	0	0	0	111.8	C247 L248 T249 L296 A512 A513 E514 C519 A520	C247-D516 VanDerWaalsContact CA-OD1 3.32Å; C247-D516 WeakPolarHBondContact CA-OD1 3.45Å; C247-D516 WeakPolarHBondContact CB-OD2 3.42Å; L248-D516 PolarHBondContact N-OD1 3.39Å; L248-D516 PolarHBondContact N-OD2 2.63Å; T249-D516 WeakPolarHBondContact CB-OD2 3.37Å; T249-D516 PolarHBondContact N-OD2 2.94Å; T249-D516 PolarHBondContact OG1-OD2 2.92Å; L296-D516 HydrophobicContact CD1-CB 3.98Å; L296-D516 HydrophobicContact CD2-CB 4.08Å; A512-D516 WeakPolarHBondContact O-CB 3.41Å; A512-D516 PolarHBondContact O-N 3.37Å; A513-D516 PolarHBondContact O-N 3.34Å; E514-D516 VanDerWaalsContact C-N 3.32Å; E514-D516 PolarHBondContact O-N 3.37Å; D516-C519 PolarHBondContact O-N 3.13Å; D516-A520 WeakPolarHBondContact O-CB 3.49Å; D516-A520 PolarHBondContact O-N 3.17Å
517	C	96.6	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-43.3	175.5	-64.8	0	0	0	0	112.7	G252 L256 W259 A513 E514 I515 A520 F521	G252-C517 PolarHBondContact O-SG 2.94Å; L256-C517 PolarHBondContact N-SG 3.13Å; W259-C517 HydrophobicContact CD2-CB 4.31Å; W259-C517 HydrophobicContact CE3-CB 3.74Å; W259-C517 HydrophobicContact CH2-CB 3.51Å; W259-C517 HydrophobicContact CZ2-CB 4.08Å; W259-C517 HydrophobicContact CZ3-CB 3.31Å; A513-C517 PolarHBondContact O-N 3.33Å; A513-C517 PolarHBondContact O-SG 2.66Å; E514-C517 WeakPolarHBondContact O-CB 3.46Å; E514-C517 PolarHBondContact O-N 2.81Å; I515-C517 VanDerWaalsContact C-N 3.32Å; I515-C517 PolarHBondContact O-N 2.94Å; C517-A520 WeakPolarHBondContact O-CB 3.3Å; C517-A520 PolarHBondContact O-N 3.34Å; C517-A520 VanDerWaalsContact O-N 3.16Å; C517-F521 PolarHBondContact O-N 2.91Å
518	L	97.7	Very high	94.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-40.8	177	-66.2	168.9	0	0	0	111.5	W259 R273 A276 V277 F280 Y344 P345 E514 I515 A520 F521 A522	W259-L518 HydrophobicContact CH2-CD2 4.13Å; W259-L518 HydrophobicContact CH2-CG 4.08Å; W259-L518 HydrophobicContact CZ3-CD2 4.18Å; W259-L518 HydrophobicContact CZ3-CG 4.43Å; R273-L518 HydrophobicContact CB-CD2 4.27Å; R273-L518 HydrophobicContact CG-CD2 4.26Å; A276-L518 HydrophobicContact CB-CD1 3.84Å; A276-L518 HydrophobicContact CB-CD2 4.1Å; A276-L518 HydrophobicContact CB-CG 4.44Å; V277-L518 HydrophobicContact CG2-CD2 4.35Å; F280-L518 HydrophobicContact CD2-CB 4.33Å; F280-L518 HydrophobicContact CE2-CB 3.85Å; Y344-L518 HydrophobicContact CD1-CD1 4.36Å; Y344-L518 HydrophobicContact CE1-CD1 3.85Å; Y344-L518 HydrophobicContact CE1-CD2 4.21Å; P345-L518 HydrophobicContact CG-CD1 3.71Å; E514-L518 WeakPolarHBondContact O-CG 3.22Å; E514-L518 PolarHBondContact O-N 2.83Å; I515-L518 PolarHBondContact O-N 3.42Å; L518-A520 VanDerWaalsContact C-N 3.27Å; L518-A520 PolarHBondContact O-N 3.45Å; L518-F521 PolarHBondContact O-N 3.05Å; L518-A522 PolarHBondContact O-N 2.84Å
519	C	97.7	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-39.8	170.8	-69.3	0	0	0	0	111.3	L289 I515 D516 A522 M523	L289-C519 HydrophobicContact CD1-CB 3.55Å; L289-C519 WeakPolarHBondContact CD1-SG 3.43Å; I515-C519 WeakPolarHBondContact O-CB 3.34Å; I515-C519 PolarHBondContact O-N 3.5Å; I515-C519 PolarHBondContact O-SG 3.21Å; D516-C519 PolarHBondContact O-N 3.13Å; C519-A522 PolarHBondContact O-N 3.14Å; C519-M523 WeakPolarHBondContact O-CB 3.37Å; C519-M523 VanDerWaalsContact O-CG 3.24Å; C519-M523 WeakPolarHBondContact O-CG 3.32Å; C519-M523 PolarHBondContact O-N 3.05Å
520	A	97.7	Very high	95	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-43.2	178	0	0	0	0	0	112.4	H246 D516 C517 L518 M523 A524	H246-A520 HydrophobicContact CB-CB 4.06Å; D516-A520 WeakPolarHBondContact O-CB 3.49Å; D516-A520 PolarHBondContact O-N 3.17Å; C517-A520 WeakPolarHBondContact O-CB 3.3Å; C517-A520 PolarHBondContact O-N 3.34Å; C517-A520 VanDerWaalsContact O-N 3.16Å; L518-A520 VanDerWaalsContact C-N 3.27Å; L518-A520 PolarHBondContact O-N 3.45Å; A520-M523 PolarHBondContact O-N 2.92Å; A520-A524 WeakPolarHBondContact O-CB 3.2Å; A520-A524 PolarHBondContact O-N 2.84Å
521	F	97.9	Very high	95.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-43.5	172.6	-74	-13.9	0	0	0	112.6	L244 L256 W259 V277 C517 L518 M523 A524 A525 I599	L244-F521 HydrophobicContact CD1-CE1 4.19Å; L244-F521 HydrophobicContact CD2-CD1 4.06Å; L244-F521 HydrophobicContact CD2-CE1 4.27Å; L256-F521 HydrophobicContact CD1-CD1 4.3Å; L256-F521 HydrophobicContact CD1-CE1 3.48Å; L256-F521 VanDerWaalsContact CD1-CE1 3.48Å; L256-F521 HydrophobicContact CD1-CZ 3.87Å; W259-F521 AromaticContact CE3-CE2 3.78Å; W259-F521 HydrophobicContact CE3-CE2 3.78Å; W259-F521 AromaticContact CE3-CZ 4Å; W259-F521 HydrophobicContact CE3-CZ 4Å; W259-F521 HydrophobicContact CZ3-CD2 4.39Å; W259-F521 AromaticContact CZ3-CE2 3.89Å; W259-F521 HydrophobicContact CZ3-CE2 3.89Å; W259-F521 HydrophobicContact CZ3-CZ 4.5Å; V277-F521 HydrophobicContact CG2-CB 3.66Å; V277-F521 HydrophobicContact CG2-CD2 4.27Å; C517-F521 PolarHBondContact O-N 2.91Å; L518-F521 PolarHBondContact O-N 3.05Å; F521-M523 VanDerWaalsContact C-N 3.34Å; F521-M523 PolarHBondContact O-N 3.31Å; F521-A524 PolarHBondContact O-N 3.28Å; F521-A525 VanDerWaalsContact O-CB 3.27Å; F521-A525 WeakPolarHBondContact O-CB 3.46Å; F521-A525 PolarHBondContact O-N 3.2Å; F521-I599 HydrophobicContact CE1-CD1 4.07Å; F521-I599 HydrophobicContact CZ-CB 4.47Å; F521-I599 HydrophobicContact CZ-CD1 3.82Å; F521-I599 HydrophobicContact CZ-CG1 4.11Å
522	A	97.5	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-41.2	176.1	0	0	0	0	0	112	V277 F280 L281 L289 L518 C519 A525 K526	V277-A522 HydrophobicContact CG1-CB 4.22Å; F280-A522 HydrophobicContact CB-CB 3.65Å; F280-A522 HydrophobicContact CG-CB 4.46Å; L281-A522 HydrophobicContact CD2-CB 4.41Å; L281-A522 WeakPolarHBondContact CD2-O 3.5Å; L281-A522 HydrophobicContact CG-CB 4.41Å; L289-A522 HydrophobicContact CD2-CB 4.33Å; L518-A522 PolarHBondContact O-N 2.84Å; C519-A522 PolarHBondContact O-N 3.14Å; A522-A525 PolarHBondContact O-N 3.3Å; A522-K526 WeakPolarHBondContact O-CB 3Å; A522-K526 PolarHBondContact O-N 2.8Å
523	M	96.8	Very high	95.8	Very high	31 Å²	31	30.1 Å²	30.1	15%	0.153	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-47.4	175.1	-72.9	-62.3	-67.7	0	0	111.7	H246 L289 C519 A520 F521 A525 K526 H527	H246-M523 HydrophobicContact CB-CB 3.92Å; L289-M523 HydrophobicContact CD2-SD 4.08Å; C519-M523 WeakPolarHBondContact O-CB 3.37Å; C519-M523 VanDerWaalsContact O-CG 3.24Å; C519-M523 WeakPolarHBondContact O-CG 3.32Å; C519-M523 PolarHBondContact O-N 3.05Å; A520-M523 PolarHBondContact O-N 2.92Å; F521-M523 VanDerWaalsContact C-N 3.34Å; F521-M523 PolarHBondContact O-N 3.31Å; M523-A525 PolarHBondContact O-N 3.42Å; M523-K526 PolarHBondContact O-N 3Å; M523-H527 WeakPolarHBondContact CE-NE2 3.35Å; M523-H527 WeakPolarHBondContact O-CB 3.48Å; M523-H527 PolarHBondContact O-CD2 3.39Å; M523-H527 PolarHBondContact O-N 3.42Å
524	A	95.4	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-46.6	177	0	0	0	0	0	111.4	L244 A520 F521 K526 H527 M528	L244-A524 HydrophobicContact CD2-CB 3.8Å; A520-A524 WeakPolarHBondContact O-CB 3.2Å; A520-A524 PolarHBondContact O-N 2.84Å; F521-A524 PolarHBondContact O-N 3.28Å; A524-K526 VanDerWaalsContact C-N 3.33Å; A524-K526 PolarHBondContact O-N 2.7Å; A524-H527 PolarHBondContact O-N 3.46Å; A524-M528 VanDerWaalsContact O-CB 3.28Å; A524-M528 WeakPolarHBondContact O-CB 3.4Å; A524-M528 WeakPolarHBondContact O-CG 3.05Å; A524-M528 PolarHBondContact O-N 3.48Å
525	A	96	Very high	96.1	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-42.7	179.3	0	0	0	0	0	112.2	L281 F521 A522 M523 E529 W530 Y602	L281-A525 HydrophobicContact CD1-CB 4.09Å; F521-A525 VanDerWaalsContact O-CB 3.27Å; F521-A525 WeakPolarHBondContact O-CB 3.46Å; F521-A525 PolarHBondContact O-N 3.2Å; A522-A525 PolarHBondContact O-N 3.3Å; M523-A525 PolarHBondContact O-N 3.42Å; A525-E529 WeakPolarHBondContact O-CA 3.28Å; A525-E529 PolarHBondContact O-N 2.67Å; A525-W530 HydrophobicContact CB-CB 4.5Å; A525-W530 PolarHBondContact O-N 3.19Å; A525-Y602 HydrophobicContact CB-CD1 3.94Å; A525-Y602 HydrophobicContact CB-CG 3.89Å
526	K	94.6	Very high	96	Very high	123 Å²	123	37.1 Å²	37.1	54%	0.535	17%	0.172	S	C	.	.	H	α-helix	trans	-66.7	-46.7	176.9	-174.7	177.7	-179.2	177.5	0	112.3	L281 A522 M523 A524 M528	L281-K526 HydrophobicContact CD2-CB 3.82Å; A522-K526 WeakPolarHBondContact O-CB 3Å; A522-K526 PolarHBondContact O-N 2.8Å; M523-K526 PolarHBondContact O-N 3Å; A524-K526 VanDerWaalsContact C-N 3.33Å; A524-K526 PolarHBondContact O-N 2.7Å; K526-M528 VanDerWaalsContact C-N 3.34Å
527	H	92.4	Very high	95.4	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.528	21%	0.205	S	C	.	.	H	α-helix	trans	-69	-33.4	-177.2	-76.6	-53.1	0	0	0	113.1	M523 A524	M523-H527 WeakPolarHBondContact CE-NE2 3.35Å; M523-H527 WeakPolarHBondContact O-CB 3.48Å; M523-H527 PolarHBondContact O-CD2 3.39Å; M523-H527 PolarHBondContact O-N 3.42Å; A524-H527 PolarHBondContact O-N 3.46Å
528	M	90.4	Very high	94.9	Very high	50 Å²	50	49 Å²	49	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-102.7	2	-174.3	-57.6	-64.8	-70.1	0	0	113.5	I243 A524 K526 W530	I243-M528 HydrophobicContact CG2-CE 4.35Å; I243-M528 HydrophobicContact CG2-CG 4.4Å; A524-M528 VanDerWaalsContact O-CB 3.28Å; A524-M528 WeakPolarHBondContact O-CB 3.4Å; A524-M528 WeakPolarHBondContact O-CG 3.05Å; A524-M528 PolarHBondContact O-N 3.48Å; K526-M528 VanDerWaalsContact C-N 3.34Å; M528-W530 VanDerWaalsContact C-N 3.27Å; M528-W530 VanDerWaalsContact CB-CD1 3.5Å; M528-W530 HydrophobicContact CB-CD2 4.14Å; M528-W530 HydrophobicContact CB-CG 4.04Å; M528-W530 HydrophobicContact CB-CZ2 4.31Å; M528-W530 HydrophobicContact CG-CZ2 4.36Å; M528-W530 PolarHBondContact O-N 3.48Å
529	E	92	Very high	94.3	Very high	165 Å²	165	51.8 Å²	51.8	77%	0.771	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	43.6	-177.6	-57.7	-179.8	173.1	0	0	112.8	A525	A525-E529 WeakPolarHBondContact O-CA 3.28Å; A525-E529 PolarHBondContact O-N 2.67Å
530	W	96.3	Very high	94.1	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.045	25%	0.247	C	C	.	.			trans	-78	157.7	177.6	-69.5	-1	0	0	0	111.3	L240 I243 L244 A525 M528 W547 P549 L596 Y602 I603	L240-W530 HydrophobicContact CD1-CH2 4.33Å; I243-W530 HydrophobicContact CG2-CH2 4.02Å; I243-W530 HydrophobicContact CG2-CZ2 4.01Å; L244-W530 HydrophobicContact CD2-CH2 3.91Å; L244-W530 HydrophobicContact CD2-CZ3 3.49Å; L244-W530 VanDerWaalsContact CD2-CZ3 3.49Å; L244-W530 HydrophobicContact CG-CH2 4.41Å; L244-W530 HydrophobicContact CG-CZ3 4.4Å; A525-W530 HydrophobicContact CB-CB 4.5Å; A525-W530 PolarHBondContact O-N 3.19Å; M528-W530 VanDerWaalsContact C-N 3.27Å; M528-W530 VanDerWaalsContact CB-CD1 3.5Å; M528-W530 HydrophobicContact CB-CD2 4.14Å; M528-W530 HydrophobicContact CB-CG 4.04Å; M528-W530 HydrophobicContact CB-CZ2 4.31Å; M528-W530 HydrophobicContact CG-CZ2 4.36Å; M528-W530 PolarHBondContact O-N 3.48Å; W530-W547 AromaticContact CD1-CZ2 3.94Å; W530-P549 HydrophobicContact CZ2-CB 3.74Å; W530-P549 HydrophobicContact CZ2-CG 4.12Å; W530-L596 HydrophobicContact CH2-CD1 4.4Å; W530-L596 HydrophobicContact CZ3-CD1 4.29Å; W530-L596 HydrophobicContact CZ3-CD2 4.29Å; W530-Y602 WeakPolarHBondContact O-CD1 3.14Å; W530-I603 WeakPolarHBondContact CA-O 3.22Å; W530-I603 VanDerWaalsContact CB-O 3.22Å; W530-I603 WeakPolarHBondContact CB-O 3.35Å
531	T	97.5	Very high	94.1	Very high	40 Å²	40	51.9 Å²	51.9	25%	0.245	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-112.8	157.3	-177.3	59.7	0	0	0	0	111.9	Y602 I603 A605	T531-Y602 VanDerWaalsContact C-CD1 3.42Å; T531-Y602 CarbonylContact O-C 3.59Å; T531-Y602 WeakPolarHBondContact O-CA 3.22Å; T531-Y602 WeakPolarHBondContact O-CB 3.32Å; T531-I603 PolarHBondContact N-O 3.4Å; T531-I603 VanDerWaalsContact O-CG1 3.28Å; T531-I603 WeakPolarHBondContact O-CG1 3.5Å; T531-I603 PolarHBondContact O-N 3.17Å; T531-A605 WeakPolarHBondContact CB-O 3.48Å; T531-A605 WeakPolarHBondContact CG2-O 3.31Å; T531-A605 PolarHBondContact OG1-O 3.45Å
532	R	97.9	Very high	94	Very high	68 Å²	68	53.9 Å²	53.9	26%	0.257	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-74.8	124.4	176.4	-173.8	177.5	171	123.6	7.3	109.8	L274 D275 E278 Y602	L274-R532 VanDerWaalsContact CB-NH2 3.33Å; L274-R532 PolarHBondContact O-NH1 3.3Å; L274-R532 VanDerWaalsContact O-NH1 3.13Å; D275-R532 VanDerWaalsContact N-NH1 3.2Å; D275-R532 IonicContact OD1-CZ 3.81Å; D275-R532 IonicContact OD1-NH1 3.76Å; D275-R532 PolarHBondContact OD1-NH1 3.13Å; D275-R532 IonicContact OD1-NH2 3.37Å; D275-R532 PolarHBondContact OD1-NH2 3.14Å; E278-R532 IonicContact OE2-CZ 2.67Å; E278-R532 IonicContact OE2-NE 3.83Å; E278-R532 IonicContact OE2-NH1 3.53Å; E278-R532 PolarHBondContact OE2-NH1 3.43Å; R532-Y602 HydrophobicContact CB-CD1 4.37Å; R532-Y602 HydrophobicContact CB-CD2 4.48Å; R532-Y602 HydrophobicContact CB-CE1 3.89Å; R532-Y602 HydrophobicContact CB-CE2 4.01Å; R532-Y602 HydrophobicContact CG-CE2 4.13Å
533	P	97.6	Very high	94.1	Very high	3 Å²	3	54 Å²	54	2%	0.019	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-72.3	149.1	170.6	30.4	-33.2	0	0	0	110.9	L274 T597 I603	L274-P533 HydrophobicContact CD1-CG 4.03Å; L274-P533 HydrophobicContact CD2-CG 4.2Å; P533-T597 HydrophobicContact CB-CG2 4.07Å; P533-T597 HydrophobicContact CG-CG2 3.97Å; P533-I603 HydrophobicContact CB-CD1 3.95Å; P533-I603 HydrophobicContact CB-CG1 4.21Å; P533-I603 HydrophobicContact CB-CG2 4.27Å; P533-I603 HydrophobicContact CG-CG2 4.06Å
534	K	96.9	Very high	94.1	Very high	139 Å²	139	57.4 Å²	57.4	60%	0.604	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	117	168.3	-172.5	177	-179.7	175.1	0	109.5	V536 A608 K609 I610	K534-V536 HydrophobicContact CD-CG1 4.29Å; K534-V536 HydrophobicContact CG-CG1 4.05Å; K534-A608 PolarHBondContact N-O 3.39Å; K534-K609 CarbonylContact O-C 3.48Å; K534-K609 WeakPolarHBondContact O-CA 3.21Å; K534-I610 PolarHBondContact O-N 2.95Å
535	I	95.3	Very high	94.2	Very high	19 Å²	19	60.9 Å²	60.9	10%	0.097	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	139	174	-50.3	154.2	0	0	0	107.9	E267 I270 L274 T597 I610 T612	E267-I535 HydrophobicContact CB-CG2 4.22Å; E267-I535 HydrophobicContact CG-CB 4.35Å; E267-I535 HydrophobicContact CG-CG2 3.77Å; I270-I535 HydrophobicContact CB-CD1 3.73Å; I270-I535 HydrophobicContact CG2-CD1 3.31Å; I270-I535 HydrophobicContact CG2-CG1 4.26Å; L274-I535 HydrophobicContact CD1-CD1 3.79Å; L274-I535 HydrophobicContact CD1-CG1 4.41Å; I535-T597 HydrophobicContact CG1-CG2 4.09Å; I535-I610 WeakPolarHBondContact CA-O 3.35Å; I535-T612 HydrophobicContact CG2-CG2 4.14Å
536	V	93.4	Very high	94.3	Very high	13 Å²	13	60.8 Å²	60.8	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.2	-178.3	-67.4	0	0	0	0	112.3	K534 E538 K609 I610 S611	K534-V536 HydrophobicContact CD-CG1 4.29Å; K534-V536 HydrophobicContact CG-CG1 4.05Å; V536-E538 VanDerWaalsContact C-N 3.33Å; V536-E538 HydrophobicContact CG2-CB 4.32Å; V536-K609 HydrophobicContact CB-CG 4.32Å; V536-K609 HydrophobicContact CG1-CD 4.2Å; V536-K609 VanDerWaalsContact CG1-CE 3.43Å; V536-K609 HydrophobicContact CG1-CG 3.7Å; V536-K609 HydrophobicContact CG2-CD 4.23Å; V536-K609 HydrophobicContact CG2-CG 3.66Å; V536-I610 PolarHBondContact N-O 3.29Å; V536-S611 WeakPolarHBondContact O-CA 3.27Å
537	D	86.7	Confident	94.3	Very high	129 Å²	129	55.6 Å²	55.6	69%	0.69	26%	0.26	S	S	*	.	S	Bend	trans	-71.4	-28.5	171.4	-75.2	-42.3	0	0	0	113.1	N539	D537-N539 PolarHBondContact O-N 3.33Å
538	E	85.8	Confident	94.4	Very high	119 Å²	119	50.7 Å²	50.7	56%	0.556	24%	0.237	S	C	*	.	S	Bend	trans	-60.3	127.1	176.3	-66.8	171.8	-130.6	0	0	110.2	V536 C540 K609 S611	V536-E538 VanDerWaalsContact C-N 3.33Å; V536-E538 HydrophobicContact CG2-CB 4.32Å; E538-C540 PolarHBondContact O-N 3.5Å; E538-K609 IonicContact OE1-NZ 3.42Å; E538-K609 PolarHBondContact OE1-NZ 3.17Å; E538-K609 IonicContact OE2-NZ 2.71Å; E538-K609 PolarHBondContact OE2-NZ 3.28Å; E538-S611 VanDerWaalsContact O-CB 3.25Å; E538-S611 WeakPolarHBondContact O-CB 3.34Å
539	N	85.8	Confident	94.5	Very high	59 Å²	59	48.3 Å²	48.3	32%	0.316	23%	0.225	S	C	.	.	S	Bend	trans	-62.2	99.5	174.8	-71.8	-34.1	0	0	0	110	D537 D566 G567 Y686	D537-N539 PolarHBondContact O-N 3.33Å; N539-D566 CarbonylContact O-C 3.52Å; N539-G567 WeakPolarHBondContact O-CA 3.28Å; N539-G567 PolarHBondContact O-N 2.93Å; N539-Y686 WeakPolarHBondContact CB-OH 3.47Å; N539-Y686 PolarHBondContact O-OH 2.9Å
540	C	93.3	Very high	94.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	159.7	174.9	71.7	0	0	0	0	113.9	E538 S565 S611 Y686	E538-C540 PolarHBondContact O-N 3.5Å; C540-S565 CarbonylContact C-O 3.38Å; C540-S565 VanDerWaalsContact CA-O 3.3Å; C540-S565 WeakPolarHBondContact CA-O 3.1Å; C540-S565 WeakPolarHBondContact CB-O 3.26Å; C540-S611 PolarHBondContact O-N 3.01Å; C540-S611 PolarHBondContact O-OG 3.24Å; C540-Y686 PolarHBondContact N-OH 2.77Å
541	I	96.1	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	100.4	166.3	-50.7	176.5	0	0	0	107.4	I543 F563 Y564 S565 I590 F613 L652 Y686	I541-I543 HydrophobicContact CG2-CD1 4.1Å; I541-I543 HydrophobicContact CG2-CG1 4.22Å; I541-F563 HydrophobicContact CB-CD1 4.29Å; I541-F563 HydrophobicContact CB-CE1 4.04Å; I541-F563 HydrophobicContact CD1-CE1 4.48Å; I541-F563 HydrophobicContact CG2-CD1 3.85Å; I541-F563 HydrophobicContact CG2-CE1 3.98Å; I541-Y564 WeakPolarHBondContact O-CA 3.21Å; I541-S565 PolarHBondContact N-O 3.19Å; I541-S565 PolarHBondContact O-N 3.31Å; I541-I590 HydrophobicContact CG2-CG2 4.32Å; I541-F613 HydrophobicContact CD1-CE1 3.95Å; I541-F613 HydrophobicContact CD1-CE2 4.13Å; I541-F613 HydrophobicContact CD1-CZ 3.41Å; I541-F613 VanDerWaalsContact CD1-CZ 3.41Å; I541-F613 HydrophobicContact CG1-CE1 4.37Å; I541-F613 HydrophobicContact CG1-CE2 3.81Å; I541-F613 HydrophobicContact CG1-CZ 3.36Å; I541-L652 HydrophobicContact CD1-CD1 4.04Å; I541-Y686 HydrophobicContact CD1-CD1 4.02Å; I541-Y686 HydrophobicContact CD1-CG 4.04Å; I541-Y686 HydrophobicContact CG1-CD1 4.24Å; I541-Y686 HydrophobicContact CG1-CE1 4.42Å
542	H	97.1	Very high	93.2	Very high	42 Å²	42	44.2 Å²	44.2	19%	0.194	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.1	172.1	-55.1	167.5	0	0	0	109	F563 Y564 D566 A608 K609	H542-F563 CarbonylContact C-O 3.51Å; H542-F563 WeakPolarHBondContact CA-O 3.35Å; H542-Y564 HydrophobicContact CB-CD1 4.05Å; H542-Y564 HydrophobicContact CB-CE1 4.38Å; H542-D566 IonicContact CD2-OD1 3.17Å; H542-D566 IonicContact CE1-OD1 3.83Å; H542-D566 PolarHBondContact CE1-OD1 3.35Å; H542-D566 IonicContact NE2-OD1 2.94Å; H542-D566 PolarHBondContact NE2-OD1 3.22Å; H542-A608 CarbonylContact O-C 3.51Å; H542-A608 WeakPolarHBondContact O-CA 3.4Å; H542-A608 VanDerWaalsContact O-CB 3.29Å; H542-A608 WeakPolarHBondContact O-CB 3.26Å; H542-K609 HydrophobicContact CB-CB 4.06Å; H542-K609 PolarHBondContact N-O 2.89Å; H542-K609 PolarHBondContact O-N 2.83Å
543	I	97.9	Very high	92.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.8	176.4	-61.9	170.7	0	0	0	106.6	I541 S562 F563 I590 I593 A605 A608	I541-I543 HydrophobicContact CG2-CD1 4.1Å; I541-I543 HydrophobicContact CG2-CG1 4.22Å; I543-S562 CarbonylContact O-C 3.59Å; I543-S562 WeakPolarHBondContact O-CA 3.43Å; I543-S562 VanDerWaalsContact O-CB 3.27Å; I543-S562 WeakPolarHBondContact O-CB 3.3Å; I543-F563 HydrophobicContact CB-CB 4.35Å; I543-F563 PolarHBondContact N-O 3.47Å; I543-F563 PolarHBondContact O-N 2.92Å; I543-I590 HydrophobicContact CD1-CB 4.24Å; I543-I590 HydrophobicContact CD1-CG1 4.2Å; I543-I590 HydrophobicContact CD1-CG2 4.08Å; I543-I593 HydrophobicContact CD1-CB 4.04Å; I543-I593 HydrophobicContact CD1-CD1 4.19Å; I543-I593 HydrophobicContact CD1-CG2 3.94Å; I543-I593 HydrophobicContact CG1-CG2 4.08Å; I543-I593 HydrophobicContact CG2-CD1 3.66Å; I543-A605 HydrophobicContact CG2-CB 4.31Å; I543-A608 HydrophobicContact CG1-CB 4.43Å
544	Y	97.9	Very high	91.3	Very high	103 Å²	103	50.5 Å²	50.5	40%	0.404	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.1	176.6	-177.6	-114.6	0	0	0	109.6	G546 E606 G607	Y544-G546 PolarHBondContact O-N 2.83Å; Y544-E606 HydrophobicContact CD1-CB 3.54Å; Y544-E606 HydrophobicContact CE1-CB 3.86Å; Y544-E606 WeakPolarHBondContact CE1-OE2 3.08Å; Y544-E606 PolarHBondContact O-N 3.29Å; Y544-G607 PolarHBondContact N-O 2.89Å; Y544-G607 PolarHBondContact O-N 3.11Å
545	K	97.2	Very high	90.5	Very high	73 Å²	73	46.2 Å²	46.2	32%	0.317	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	45.3	56.1	180	-68.6	174.5	179.5	176.1	0	113.2	K560 N561 S562 E606	K545-K560 HydrophobicContact CB-CB 3.79Å; K545-K560 HydrophobicContact CB-CD 4.28Å; K545-K560 HydrophobicContact CG-CB 4.41Å; K545-N561 CarbonylContact C-O 3.58Å; K545-N561 WeakPolarHBondContact CA-O 3.48Å; K545-S562 PolarHBondContact N-OG 2.95Å; K545-E606 HydrophobicContact CB-CB 4.27Å; K545-E606 HydrophobicContact CB-CG 4.14Å; K545-E606 HydrophobicContact CD-CG 4.27Å; K545-E606 WeakPolarHBondContact CD-OE1 3.39Å; K545-E606 WeakPolarHBondContact CD-OE2 3.38Å; K545-E606 IonicContact NZ-OE1 3.86Å; K545-E606 PolarHBondContact NZ-OE1 2.91Å; K545-E606 VanDerWaalsContact NZ-OE1 3.17Å; K545-E606 IonicContact NZ-OE2 3.51Å; K545-E606 PolarHBondContact NZ-OE2 3.41Å
546	G	97.3	Very high	89.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	157.7	171.3	0	0	0	0	0	112.8	Y544 K560 N561 P604	Y544-G546 PolarHBondContact O-N 2.83Å; G546-K560 WeakPolarHBondContact O-CA 3.29Å; G546-N561 PolarHBondContact N-O 3.46Å; G546-N561 PolarHBondContact O-N 2.98Å; G546-P604 CarbonylContact C-O 3.59Å; G546-P604 VanDerWaalsContact CA-O 3.3Å; G546-P604 WeakPolarHBondContact CA-O 3.38Å
547	W	95.5	Very high	89.3	Confident	15 Å²	15	57.7 Å²	57.7	6%	0.057	30%	0.303	C	S	.	.			trans	-142.9	162.9	173.1	67.7	95.3	0	0	0	112.6	W530 P549 I558 K560 P604 A605	W530-W547 AromaticContact CD1-CZ2 3.94Å; W547-P549 WeakPolarHBondContact O-CD 3.39Å; W547-I558 HydrophobicContact CB-CG2 3.65Å; W547-I558 HydrophobicContact CG-CG2 4.26Å; W547-K560 HydrophobicContact CB-CG 4.46Å; W547-K560 HydrophobicContact CE3-CD 3.88Å; W547-K560 HydrophobicContact CE3-CG 4.04Å; W547-K560 HydrophobicContact CZ3-CD 4.17Å; W547-P604 HydrophobicContact CD2-CB 3.85Å; W547-P604 VanDerWaalsContact CE2-CB 3.45Å; W547-P604 VanDerWaalsContact CE3-C 3.45Å; W547-P604 HydrophobicContact CE3-CB 4.43Å; W547-P604 HydrophobicContact CG-CB 4.24Å; W547-P604 HydrophobicContact CH2-CB 4.31Å; W547-P604 HydrophobicContact CZ2-CB 3.71Å; W547-P604 PolarHBondContact N-O 3.37Å; W547-P604 WeakPolarHBondContact O-CG 3.46Å; W547-A605 VanDerWaalsContact CZ3-CA 3.43Å; W547-A605 VanDerWaalsContact CZ3-N 3.3Å
548	Y	94.3	Very high	89.3	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.039	28%	0.279	C	S	.	.			trans	-86.2	110.2	174.8	-170.7	-123.7	0	0	0	109.9	L214 Q215 I550 Q551 I585 K588 T589 L592	L214-Y548 PolarHBondContact O-OH 3.41Å; Q215-Y548 PolarHBondContact OE1-OH 3.12Å; Y548-I550 VanDerWaalsContact C-N 3.3Å; Y548-I550 HydrophobicContact CD1-CB 4.09Å; Y548-I550 HydrophobicContact CE1-CB 3.59Å; Y548-I550 HydrophobicContact CE1-CD1 4.47Å; Y548-I550 HydrophobicContact CE1-CG1 4.46Å; Y548-I550 HydrophobicContact CE1-CG2 4.11Å; Y548-I550 HydrophobicContact CE2-CD1 4.43Å; Y548-I550 PolarHBondContact O-N 3.42Å; Y548-Q551 HydrophobicContact CD1-CB 4.19Å; Y548-Q551 WeakPolarHBondContact O-CB 3.37Å; Y548-Q551 PolarHBondContact O-N 2.97Å; Y548-I585 HydrophobicContact CG-CG2 4.47Å; Y548-K588 HydrophobicContact CD2-CB 3.97Å; Y548-K588 HydrophobicContact CE1-CD 4.32Å; Y548-K588 HydrophobicContact CE2-CB 3.89Å; Y548-K588 HydrophobicContact CE2-CD 4.3Å; Y548-T589 PolarHBondContact N-OG1 3.02Å; Y548-L592 HydrophobicContact CD2-CD2 3.83Å; Y548-L592 HydrophobicContact CE2-CD2 3.91Å
549	P	92.7	Very high	89.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-67.8	-28.9	-170.3	27.3	-34	0	0	0	112.6	L240 I243 W530 W547 Q551 Q552 L592 P604	L240-P549 HydrophobicContact CD1-CG 4.31Å; I243-P549 HydrophobicContact CD1-CB 4.42Å; W530-P549 HydrophobicContact CZ2-CB 3.74Å; W530-P549 HydrophobicContact CZ2-CG 4.12Å; W547-P549 WeakPolarHBondContact O-CD 3.39Å; P549-Q551 PolarHBondContact O-N 3.43Å; P549-Q552 VanDerWaalsContact O-CB 3.26Å; P549-Q552 WeakPolarHBondContact O-CB 3.37Å; P549-Q552 PolarHBondContact O-N 3.26Å; P549-L592 HydrophobicContact CG-CD2 3.49Å; P549-L592 VanDerWaalsContact CG-CD2 3.49Å; P549-P604 HydrophobicContact CB-CB 4.28Å; P549-P604 HydrophobicContact CB-CG 4.43Å; P549-P604 HydrophobicContact CG-CB 4.4Å; P549-P604 HydrophobicContact CG-CG 4.01Å
550	I	89.8	Confident	90.1	Very high	6 Å²	6	53 Å²	53	3%	0.031	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-66	-24.3	176	-63.2	173.7	0	0	0	110.9	Q215 P238 L240 I243 Y548 Q552 T553	Q215-I550 HydrophobicContact CB-CD1 3.63Å; P238-I550 HydrophobicContact CB-CG2 4.05Å; P238-I550 HydrophobicContact CG-CG2 3.75Å; L240-I550 HydrophobicContact CB-CD1 4.47Å; I243-I550 HydrophobicContact CD1-CG1 3.73Å; Y548-I550 VanDerWaalsContact C-N 3.3Å; Y548-I550 HydrophobicContact CD1-CB 4.09Å; Y548-I550 HydrophobicContact CE1-CB 3.59Å; Y548-I550 HydrophobicContact CE1-CD1 4.47Å; Y548-I550 HydrophobicContact CE1-CG1 4.46Å; Y548-I550 HydrophobicContact CE1-CG2 4.11Å; Y548-I550 HydrophobicContact CE2-CD1 4.43Å; Y548-I550 PolarHBondContact O-N 3.42Å; I550-Q552 PolarHBondContact O-N 3.32Å; I550-T553 PolarHBondContact O-N 3.41Å; I550-T553 PolarHBondContact O-OG1 2.97Å
551	Q	86.4	Confident	90.3	Very high	51 Å²	51	53.8 Å²	53.8	24%	0.238	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-65.5	-27.4	173.3	-168.9	177.2	4.9	0	0	112.3	Y548 P549 T553 V554 S555 I558	Y548-Q551 HydrophobicContact CD1-CB 4.19Å; Y548-Q551 WeakPolarHBondContact O-CB 3.37Å; Y548-Q551 PolarHBondContact O-N 2.97Å; P549-Q551 PolarHBondContact O-N 3.43Å; Q551-T553 PolarHBondContact O-N 3.25Å; Q551-V554 PolarHBondContact O-N 2.74Å; Q551-S555 PolarHBondContact O-N 2.81Å; Q551-I558 HydrophobicContact CB-CD1 4.09Å; Q551-I558 HydrophobicContact CG-CD1 4.22Å; Q551-I558 HydrophobicContact CG-CG1 4.38Å
552	Q	83.2	Confident	90.3	Very high	75 Å²	75	55.4 Å²	55.4	35%	0.35	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-64.3	-22.3	178	-68	175.6	-63.8	0	0	112.7	P549 I550 V554 I558	P549-Q552 VanDerWaalsContact O-CB 3.26Å; P549-Q552 WeakPolarHBondContact O-CB 3.37Å; P549-Q552 PolarHBondContact O-N 3.26Å; I550-Q552 PolarHBondContact O-N 3.32Å; Q552-V554 PolarHBondContact O-N 2.9Å; Q552-I558 HydrophobicContact CB-CD1 4.02Å; Q552-I558 HydrophobicContact CG-CD1 3.1Å; Q552-I558 HydrophobicContact CG-CG1 4.46Å
553	T	75.7	Confident	90.3	Very high	77 Å²	77	53.8 Å²	53.8	47%	0.472	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-76.3	-11.8	177.2	71.9	0	0	0	0	112.7	P238 I550 Q551	P238-T553 HydrophobicContact CB-CG2 4.18Å; P238-T553 WeakPolarHBondContact CG-OG1 3.39Å; I550-T553 PolarHBondContact O-N 3.41Å; I550-T553 PolarHBondContact O-OG1 2.97Å; Q551-T553 PolarHBondContact O-N 3.25Å
554	V	79.6	Confident	90.2	Very high	126 Å²	126	58.5 Å²	58.5	76%	0.764	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-31.4	-175.8	-172.8	0	0	0	0	111.9	Q551 Q552	Q551-V554 PolarHBondContact O-N 2.74Å; Q552-V554 PolarHBondContact O-N 2.9Å
555	S	79.9	Confident	90	Very high	48 Å²	48	53.7 Å²	53.7	34%	0.336	28%	0.284	S	S	.	.			trans	-139.7	141.8	-177.3	-170.3	0	0	0	0	112.1	Q551 N557	Q551-S555 PolarHBondContact O-N 2.81Å; S555-N557 PolarHBondContact OG-N 3.09Å
556	T	78.9	Confident	89.4	Confident	136 Å²	136	52.7 Å²	52.7	83%	0.834	28%	0.282	S	S	*	.	S	Bend	trans	-83.3	-26.3	173.9	52.1	0	0	0	0	112.8	I558	T556-I558 PolarHBondContact O-N 3.38Å
557	N	83.5	Confident	88.3	Confident	138 Å²	138	54.3 Å²	54.3	74%	0.738	30%	0.299	S	S	*	.			trans	-95.4	92.7	-176.4	-74.7	-19	0	0	0	110.7	S555	S555-N557 PolarHBondContact OG-N 3.09Å
558	I	87.3	Confident	87.5	Confident	34 Å²	34	57.4 Å²	57.4	17%	0.174	32%	0.322	C	S	.	.			trans	-110.1	126	-179.2	-61.3	-174.2	0	0	0	110.9	W547 Q551 Q552 T556 K560	W547-I558 HydrophobicContact CB-CG2 3.65Å; W547-I558 HydrophobicContact CG-CG2 4.26Å; Q551-I558 HydrophobicContact CB-CD1 4.09Å; Q551-I558 HydrophobicContact CG-CD1 4.22Å; Q551-I558 HydrophobicContact CG-CG1 4.38Å; Q552-I558 HydrophobicContact CB-CD1 4.02Å; Q552-I558 HydrophobicContact CG-CD1 3.1Å; Q552-I558 HydrophobicContact CG-CG1 4.46Å; T556-I558 PolarHBondContact O-N 3.38Å; I558-K560 PolarHBondContact O-N 2.77Å
559	I	92.4	Very high	87.1	Confident	81 Å²	81	61.9 Å²	61.9	42%	0.415	34%	0.342	S	S	.	.			trans	-85.2	113.7	172.9	-54.6	-55.9	0	0	0	108.8	N561 Y725 E726	I559-N561 PolarHBondContact O-ND2 2.84Å; I559-Y725 HydrophobicContact CG1-CD2 4.49Å; I559-E726 HydrophobicContact CG2-CB 4.42Å
560	K	95.8	Very high	86.9	Confident	92 Å²	92	64.5 Å²	64.5	40%	0.4	35%	0.354	S	S	.	.			trans	-79.6	135.1	176.5	-57.4	-177.1	-176.4	-178.3	0	109.8	K545 G546 W547 I558 E606	K545-K560 HydrophobicContact CB-CB 3.79Å; K545-K560 HydrophobicContact CB-CD 4.28Å; K545-K560 HydrophobicContact CG-CB 4.41Å; G546-K560 WeakPolarHBondContact O-CA 3.29Å; W547-K560 HydrophobicContact CB-CG 4.46Å; W547-K560 HydrophobicContact CE3-CD 3.88Å; W547-K560 HydrophobicContact CE3-CG 4.04Å; W547-K560 HydrophobicContact CZ3-CD 4.17Å; I558-K560 PolarHBondContact O-N 2.77Å; K560-E606 IonicContact NZ-OE1 2.84Å
561	N	97.2	Very high	87	Confident	20 Å²	20	64.7 Å²	64.7	11%	0.107	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.3	-175.7	-76.2	-80.7	0	0	0	112.1	K545 G546 I559 Y586 Y725 E726 A727	K545-N561 CarbonylContact C-O 3.58Å; K545-N561 WeakPolarHBondContact CA-O 3.48Å; G546-N561 PolarHBondContact N-O 3.46Å; G546-N561 PolarHBondContact O-N 2.98Å; I559-N561 PolarHBondContact O-ND2 2.84Å; N561-Y586 HydrophobicContact CB-CD2 3.7Å; N561-Y586 HydrophobicContact CB-CE2 3.57Å; N561-Y725 PolarHBondContact ND2-O 3.23Å; N561-Y725 PolarHBondContact OD1-O 2.85Å; N561-E726 VanDerWaalsContact OD1-CA 3.27Å; N561-E726 WeakPolarHBondContact OD1-CA 3.15Å; N561-A727 PolarHBondContact OD1-N 3.28Å
562	S	97.4	Very high	87.3	Confident	34 Å²	34	62.3 Å²	62.3	24%	0.238	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	156.2	174.1	-55.3	0	0	0	0	111.3	I543 K545 Y586	I543-S562 CarbonylContact O-C 3.59Å; I543-S562 WeakPolarHBondContact O-CA 3.43Å; I543-S562 VanDerWaalsContact O-CB 3.27Å; I543-S562 WeakPolarHBondContact O-CB 3.3Å; K545-S562 PolarHBondContact N-OG 2.95Å; S562-Y586 PolarHBondContact O-OH 3.5Å
563	F	97.2	Very high	87.8	Confident	7 Å²	7	58.8 Å²	58.8	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.7	174.8	178.4	-108.7	0	0	0	109.5	I541 H542 I543 T573 Y586 I590 I688 L710	I541-F563 HydrophobicContact CB-CD1 4.29Å; I541-F563 HydrophobicContact CB-CE1 4.04Å; I541-F563 HydrophobicContact CD1-CE1 4.48Å; I541-F563 HydrophobicContact CG2-CD1 3.85Å; I541-F563 HydrophobicContact CG2-CE1 3.98Å; H542-F563 CarbonylContact C-O 3.51Å; H542-F563 WeakPolarHBondContact CA-O 3.35Å; I543-F563 HydrophobicContact CB-CB 4.35Å; I543-F563 PolarHBondContact N-O 3.47Å; I543-F563 PolarHBondContact O-N 2.92Å; F563-T573 HydrophobicContact CE2-CG2 4.19Å; F563-Y586 HydrophobicContact CD2-CE1 4.45Å; F563-Y586 WeakPolarHBondContact CD2-OH 3.12Å; F563-I590 HydrophobicContact CB-CD1 3.91Å; F563-I590 HydrophobicContact CB-CG1 3.96Å; F563-I590 HydrophobicContact CD1-CD1 3.91Å; F563-I590 HydrophobicContact CD1-CG1 4.06Å; F563-I590 HydrophobicContact CD1-CG2 3.83Å; F563-I590 HydrophobicContact CD2-CD1 3.54Å; F563-I590 HydrophobicContact CD2-CG1 4.43Å; F563-I590 HydrophobicContact CE1-CD1 4.32Å; F563-I590 HydrophobicContact CE1-CG2 3.95Å; F563-I590 HydrophobicContact CE2-CD1 3.99Å; F563-I590 HydrophobicContact CG-CD1 3.49Å; F563-I590 VanDerWaalsContact CG-CD1 3.49Å; F563-I590 HydrophobicContact CG-CG1 3.89Å; F563-I590 HydrophobicContact CZ-CD1 4.35Å; F563-I688 HydrophobicContact CE1-CD1 4.31Å; F563-I688 HydrophobicContact CE2-CD1 4.23Å; F563-I688 HydrophobicContact CE2-CG1 4.44Å; F563-I688 HydrophobicContact CZ-CD1 3.85Å; F563-I688 HydrophobicContact CZ-CG1 4.08Å; F563-L710 HydrophobicContact CD2-CD1 4.34Å
564	Y	95.3	Very high	88.6	Confident	102 Å²	102	55.1 Å²	55.1	40%	0.4	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	115.2	-176.9	-59.4	-83.5	0	0	0	110.1	I541 H542 Q708	I541-Y564 WeakPolarHBondContact O-CA 3.21Å; H542-Y564 HydrophobicContact CB-CD1 4.05Å; H542-Y564 HydrophobicContact CB-CE1 4.38Å; Y564-Q708 PolarHBondContact O-OE1 2.6Å
565	S	93.6	Very high	89.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.6	172.8	-177.3	0	0	0	0	110.4	C540 I541 H570 Y686	C540-S565 CarbonylContact C-O 3.38Å; C540-S565 VanDerWaalsContact CA-O 3.3Å; C540-S565 WeakPolarHBondContact CA-O 3.1Å; C540-S565 WeakPolarHBondContact CB-O 3.26Å; I541-S565 PolarHBondContact N-O 3.19Å; I541-S565 PolarHBondContact O-N 3.31Å; S565-H570 PolarHBondContact OG-O 2.96Å; S565-Y686 WeakPolarHBondContact OG-CD1 3.48Å; S565-Y686 VanDerWaalsContact OG-CE1 3.22Å; S565-Y686 WeakPolarHBondContact OG-CE1 3.26Å
566	D	85.3	Confident	89.7	Confident	53 Å²	53	47 Å²	47	28%	0.283	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	159.9	-173.6	-72.7	-39.3	0	0	0	111.9	N539 H542 S568 K569	N539-D566 CarbonylContact O-C 3.52Å; H542-D566 IonicContact CD2-OD1 3.17Å; H542-D566 IonicContact CE1-OD1 3.83Å; H542-D566 PolarHBondContact CE1-OD1 3.35Å; H542-D566 IonicContact NE2-OD1 2.94Å; H542-D566 PolarHBondContact NE2-OD1 3.22Å; D566-S568 PolarHBondContact O-N 3.26Å; D566-K569 CarbonylContact C-O 3.53Å; D566-K569 WeakPolarHBondContact CA-O 3.34Å; D566-K569 PolarHBondContact N-O 3.12Å; D566-K569 PolarHBondContact O-N 2.92Å
567	G	73.2	Confident	90.1	Very high	35 Å²	35	40.9 Å²	40.9	36%	0.361	22%	0.218	S	C	.	.	S	Bend	trans	-60.3	-31.2	176	0	0	0	0	0	112.9	N539 K571	N539-G567 WeakPolarHBondContact O-CA 3.28Å; N539-G567 PolarHBondContact O-N 2.93Å; G567-K571 WeakPolarHBondContact O-CE 3.42Å
568	S	78.5	Confident	90	Very high	79 Å²	79	35 Å²	35	55%	0.552	19%	0.187	S	C	*	.	S	Bend	trans	-100.4	-15.2	-177.5	56.7	0	0	0	0	114.9	D566 Q706	D566-S568 PolarHBondContact O-N 3.26Å; S568-Q706 PolarHBondContact O-NE2 2.95Å
569	K	85.5	Confident	89.7	Confident	105 Å²	105	38.7 Å²	38.7	46%	0.457	21%	0.207	S	C	.	.	S	Bend	trans	-149.8	152.7	-171.7	-61.7	-175.1	-177.2	172.4	0	110.5	D566 K571 P705	D566-K569 CarbonylContact C-O 3.53Å; D566-K569 WeakPolarHBondContact CA-O 3.34Å; D566-K569 PolarHBondContact N-O 3.12Å; D566-K569 PolarHBondContact O-N 2.92Å; K569-K571 VanDerWaalsContact C-N 3.31Å; K569-K571 PolarHBondContact O-N 3.39Å; K569-P705 CarbonylContact C-O 3.47Å; K569-P705 WeakPolarHBondContact CA-O 3.1Å; K569-P705 WeakPolarHBondContact CB-O 3.22Å; K569-P705 HydrophobicContact CD-CB 4.23Å; K569-P705 HydrophobicContact CG-CB 4.11Å
570	H	89.9	Confident	89.1	Confident	55 Å²	55	37.8 Å²	37.8	26%	0.255	22%	0.218	S	C	.	.			trans	61.4	33.5	175.7	-47.6	162	0	0	0	114.4	S565 I572 P705 Q706 Q708	S565-H570 PolarHBondContact OG-O 2.96Å; H570-I572 VanDerWaalsContact C-N 3.29Å; H570-I572 PolarHBondContact O-N 3.02Å; H570-P705 PolarHBondContact CD2-O 3.28Å; H570-P705 PolarHBondContact N-O 3.27Å; H570-Q706 CarbonylContact C-O 3.55Å; H570-Q706 WeakPolarHBondContact CA-O 3.24Å; H570-Q706 PolarHBondContact N-O 3.35Å; H570-Q708 HydrophobicContact CB-CB 3.78Å; H570-Q708 HydrophobicContact CB-CG 4.49Å
571	K	91.7	Very high	88.7	Confident	10 Å²	10	33.4 Å²	33.4	4%	0.043	20%	0.199	C	C	.	.	S	Bend	trans	-64.4	-34.4	175	-74.1	-67.4	-167.3	166	0	112.7	G567 K569 C684 Y686 T687 Q706	G567-K571 WeakPolarHBondContact O-CE 3.42Å; K569-K571 VanDerWaalsContact C-N 3.31Å; K569-K571 PolarHBondContact O-N 3.39Å; K571-C684 HydrophobicContact CB-CB 4.26Å; K571-C684 WeakPolarHBondContact CD-O 3.43Å; K571-C684 HydrophobicContact CG-CB 4.28Å; K571-C684 PolarHBondContact NZ-O 2.89Å; K571-Y686 HydrophobicContact CD-CD1 4.21Å; K571-Y686 HydrophobicContact CD-CE1 3.96Å; K571-Y686 HydrophobicContact CD-CE2 4.48Å; K571-Y686 PolarHBondContact NZ-OH 3.33Å; K571-Y686 VanDerWaalsContact NZ-OH 3.08Å; K571-Y686 CarbonylContact O-C 3.59Å; K571-Y686 WeakPolarHBondContact O-CA 3.33Å; K571-T687 PolarHBondContact O-N 3.35Å; K571-Q706 VanDerWaalsContact CG-OE1 3.26Å; K571-Q706 PolarHBondContact N-O 2.92Å
572	I	92.6	Very high	88.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	171.4	-58.7	-157.3	0	0	0	109.6	H570 A675 L678 L679 T687 I689 Q706 V707 Q708	H570-I572 VanDerWaalsContact C-N 3.29Å; H570-I572 PolarHBondContact O-N 3.02Å; I572-A675 HydrophobicContact CD1-CB 4.02Å; I572-A675 WeakPolarHBondContact CD1-O 3.11Å; I572-L678 HydrophobicContact CD1-CB 4.16Å; I572-L679 HydrophobicContact CB-CD2 4.46Å; I572-L679 HydrophobicContact CD1-CD1 3.89Å; I572-L679 HydrophobicContact CD1-CD2 3.97Å; I572-L679 HydrophobicContact CD1-CG 3.51Å; I572-L679 HydrophobicContact CG1-CD2 3.88Å; I572-L679 HydrophobicContact CG1-CG 4.03Å; I572-T687 CarbonylContact C-O 3.35Å; I572-T687 VanDerWaalsContact CA-O 3.31Å; I572-T687 WeakPolarHBondContact CA-O 3.33Å; I572-I689 HydrophobicContact CG2-CD1 4.13Å; I572-Q706 PolarHBondContact N-O 3.42Å; I572-V707 HydrophobicContact CB-CG2 4.46Å; I572-V707 CarbonylContact O-C 3.57Å; I572-V707 VanDerWaalsContact O-CA 3.28Å; I572-V707 WeakPolarHBondContact O-CA 3.28Å; I572-Q708 PolarHBondContact O-N 2.91Å
573	T	94	Very high	88	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.6	173.5	-53.3	0	0	0	0	109.9	F563 T687 I688 I689 Q708 L710	F563-T573 HydrophobicContact CE2-CG2 4.19Å; T573-T687 PolarHBondContact N-O 3.44Å; T573-I688 CarbonylContact O-C 3.33Å; T573-I688 WeakPolarHBondContact O-CA 3.35Å; T573-I689 PolarHBondContact O-N 3.39Å; T573-Q708 CarbonylContact C-O 3.53Å; T573-Q708 WeakPolarHBondContact CA-O 3.07Å; T573-Q708 HydrophobicContact CG2-CB 4.46Å; T573-L710 HydrophobicContact CG2-CB 4.34Å; T573-L710 HydrophobicContact CG2-CD1 3.6Å; T573-L710 HydrophobicContact CG2-CG 3.81Å
574	L	92.6	Very high	87.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.1	171.9	-67.9	163.5	0	0	0	109	I689 I696 L697 L700 V707 Q708 Y709 L710	L574-I689 HydrophobicContact CD2-CB 4.04Å; L574-I689 HydrophobicContact CD2-CD1 4.35Å; L574-I689 HydrophobicContact CD2-CG2 4.35Å; L574-I696 HydrophobicContact CD2-CG2 4.12Å; L574-L697 HydrophobicContact CB-CD2 3.93Å; L574-L697 HydrophobicContact CD1-CD2 4.1Å; L574-L697 HydrophobicContact CG-CD2 4.44Å; L574-L700 HydrophobicContact CD1-CB 4.05Å; L574-L700 HydrophobicContact CD1-CD1 3.81Å; L574-L700 HydrophobicContact CD2-CD1 3.96Å; L574-L700 HydrophobicContact CG-CD1 4.38Å; L574-V707 HydrophobicContact CD1-CG1 3.63Å; L574-V707 HydrophobicContact CG-CG1 4.23Å; L574-Q708 PolarHBondContact N-O 3.39Å; L574-Y709 HydrophobicContact CB-CD1 4.05Å; L574-Y709 HydrophobicContact CB-CE1 4.34Å; L574-Y709 HydrophobicContact CD1-CD1 3.93Å; L574-Y709 HydrophobicContact CD1-CE1 3.35Å; L574-Y709 HydrophobicContact CG-CE1 4.45Å; L574-L710 PolarHBondContact O-N 3.37Å; L574-L710 VanDerWaalsContact O-O 3.13Å
575	L	92.8	Very high	87.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.9	-179.1	-178.5	65.9	0	0	0	110.8	K583 Y586 M587 I689 A690 T691 L710 M712	L575-K583 HydrophobicContact CD2-CB 3.89Å; L575-K583 HydrophobicContact CD2-CG 4.17Å; L575-K583 HydrophobicContact CG-CB 4.44Å; L575-K583 HydrophobicContact CG-CD 4.45Å; L575-K583 HydrophobicContact CG-CG 4.19Å; L575-Y586 HydrophobicContact CD1-CD1 4.11Å; L575-Y586 HydrophobicContact CD1-CE1 4.32Å; L575-Y586 HydrophobicContact CD2-CD1 3.77Å; L575-M587 HydrophobicContact CD2-CG 3.87Å; L575-M587 HydrophobicContact CD2-SD 4.28Å; L575-I689 PolarHBondContact N-O 3.41Å; L575-A690 WeakPolarHBondContact O-CA 3.32Å; L575-T691 PolarHBondContact O-N 3.38Å; L575-L710 CarbonylContact C-O 3.59Å; L575-L710 WeakPolarHBondContact CA-O 3.26Å; L575-L710 HydrophobicContact CD1-CB 3.83Å; L575-M712 HydrophobicContact CD1-SD 4.07Å
576	T	90.1	Very high	87.7	Confident	3 Å²	3	32 Å²	32	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	164.5	-179.1	56.9	0	0	0	0	112	L697 L710 T711 M712 N732	T576-L697 HydrophobicContact CG2-CD1 3.91Å; T576-L697 HydrophobicContact CG2-CD2 3.76Å; T576-L697 HydrophobicContact CG2-CG 4.4Å; T576-L710 PolarHBondContact N-O 2.91Å; T576-L710 PolarHBondContact OG1-O 3.18Å; T576-L710 VanDerWaalsContact OG1-O 3.07Å; T576-T711 CarbonylContact O-C 3.32Å; T576-T711 VanDerWaalsContact O-CA 3.24Å; T576-T711 WeakPolarHBondContact O-CA 3.47Å; T576-T711 PolarHBondContact O-OG1 2.83Å; T576-T711 WeakPolarHBondContact OG1-CB 3.39Å; T576-M712 PolarHBondContact O-N 2.84Å; T576-N732 PolarHBondContact OG1-N 3.4Å
577	G	85.4	Confident	88.2	Confident	8 Å²	8	29.5 Å²	29.5	8%	0.082	19%	0.187	C	C	.	.			trans	143.1	156.5	178.6	0	0	0	0	0	113	K583	G577-K583 WeakPolarHBondContact O-CE 3.04Å; G577-K583 PolarHBondContact O-NZ 3.41Å
578	P	81.4	Confident	89.2	Confident	16 Å²	16	29.5 Å²	29.5	10%	0.104	18%	0.177	C	C	.	.			trans	-63.7	164.9	-175.9	24.6	-30.9	0	0	0	112.6	S581 K583 T714	P578-S581 VanDerWaalsContact O-CB 3.24Å; P578-S581 WeakPolarHBondContact O-CB 3.19Å; P578-S581 PolarHBondContact O-N 3.33Å; P578-S581 PolarHBondContact O-OG 2.98Å; P578-K583 PolarHBondContact O-NZ 3.45Å; P578-T714 HydrophobicContact CG-CG2 3.63Å
579	N	81.2	Confident	90.1	Very high	111 Å²	111	26.1 Å²	26.1	59%	0.594	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	143.6	171.1	-74.5	-16.6	0	0	0	110.4	S581 H692	N579-S581 PolarHBondContact O-N 2.86Å; N579-H692 PolarHBondContact OD1-CE1 3.04Å; N579-H692 PolarHBondContact OD1-NE2 3.26Å
580	G	80.9	Confident	90.6	Very high	62 Å²	62	21.2 Å²	21.2	64%	0.639	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	-3.9	-173.4	0	0	0	0	0	115.1	G582 Y725	G580-G582 PolarHBondContact O-N 3.48Å; G580-Y725 VanDerWaalsContact O-CE1 3.31Å; G580-Y725 WeakPolarHBondContact O-CE1 3.3Å
581	S	86.6	Confident	90.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-73.8	-4.7	-179.6	61.1	0	0	0	0	116.1	P578 N579 M712 C723 Y725	P578-S581 VanDerWaalsContact O-CB 3.24Å; P578-S581 WeakPolarHBondContact O-CB 3.19Å; P578-S581 PolarHBondContact O-N 3.33Å; P578-S581 PolarHBondContact O-OG 2.98Å; N579-S581 PolarHBondContact O-N 2.86Å; S581-M712 VanDerWaalsContact O-CE 3.27Å; S581-M712 WeakPolarHBondContact O-CE 3.4Å; S581-M712 WeakPolarHBondContact OG-CG 3.37Å; S581-C723 VanDerWaalsContact CA-SG 3.58Å; S581-Y725 WeakPolarHBondContact O-CD1 3.46Å
582	G	88.6	Confident	91.2	Very high	13 Å²	13	18.1 Å²	18.1	13%	0.134	12%	0.118	C	C	.	.	S	Bend	trans	94.7	8.6	179.7	0	0	0	0	0	116	G580 S584 I585 Y586	G580-G582 PolarHBondContact O-N 3.48Å; G582-S584 PolarHBondContact O-N 2.99Å; G582-I585 PolarHBondContact O-N 2.64Å; G582-Y586 PolarHBondContact O-N 3.5Å
583	K	91.9	Very high	91.4	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-47.7	-51.5	178.6	-65.6	-173	-56.6	-65.5	0	113.7	L575 G577 P578 I585 Y586 M587 H692 M712	L575-K583 HydrophobicContact CD2-CB 3.89Å; L575-K583 HydrophobicContact CD2-CG 4.17Å; L575-K583 HydrophobicContact CG-CB 4.44Å; L575-K583 HydrophobicContact CG-CD 4.45Å; L575-K583 HydrophobicContact CG-CG 4.19Å; G577-K583 WeakPolarHBondContact O-CE 3.04Å; G577-K583 PolarHBondContact O-NZ 3.41Å; P578-K583 PolarHBondContact O-NZ 3.45Å; K583-I585 PolarHBondContact O-N 2.92Å; K583-Y586 WeakPolarHBondContact O-CB 3.47Å; K583-Y586 PolarHBondContact O-N 3.47Å; K583-M587 PolarHBondContact O-N 3.09Å; K583-H692 PolarHBondContact NZ-CE1 3.05Å; K583-M712 HydrophobicContact CG-CG 3.64Å
584	S	91.6	Very high	91.5	Very high	44 Å²	44	18 Å²	18	31%	0.308	12%	0.118	S	C	.	.	H	α-helix	trans	-64.8	-38.3	179.6	-51.7	0	0	0	0	112.2	G582 Y586 M587 K588 D656	G582-S584 PolarHBondContact O-N 2.99Å; S584-Y586 VanDerWaalsContact C-N 3.33Å; S584-Y586 PolarHBondContact O-N 2.84Å; S584-M587 PolarHBondContact O-N 3.44Å; S584-K588 WeakPolarHBondContact O-CB 3.31Å; S584-K588 WeakPolarHBondContact O-CG 3.25Å; S584-K588 PolarHBondContact O-N 3.2Å; S584-D656 WeakPolarHBondContact CB-OD2 3.2Å; S584-D656 PolarHBondContact OG-OD1 3Å; S584-D656 PolarHBondContact OG-OD2 2.8Å
585	I	92.7	Very high	91.7	Very high	60 Å²	60	18 Å²	18	31%	0.308	12%	0.118	S	C	.	.	H	α-helix	trans	-64.7	-40.6	176.1	-62.4	176.5	0	0	0	110.4	Y548 G582 K583 K588 T589	Y548-I585 HydrophobicContact CG-CG2 4.47Å; G582-I585 PolarHBondContact O-N 2.64Å; K583-I585 PolarHBondContact O-N 2.92Å; I585-K588 PolarHBondContact O-N 3.22Å; I585-T589 WeakPolarHBondContact O-CB 3.42Å; I585-T589 PolarHBondContact O-N 2.81Å; I585-T589 PolarHBondContact O-OG1 2.97Å
586	Y	95.3	Very high	91.9	Very high	9 Å²	9	18 Å²	18	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-46.9	177	-178.7	-112.1	0	0	0	111.8	N561 S562 F563 L575 G582 K583 S584 T589 I590 L710 A727	N561-Y586 HydrophobicContact CB-CD2 3.7Å; N561-Y586 HydrophobicContact CB-CE2 3.57Å; S562-Y586 PolarHBondContact O-OH 3.5Å; F563-Y586 HydrophobicContact CD2-CE1 4.45Å; F563-Y586 WeakPolarHBondContact CD2-OH 3.12Å; L575-Y586 HydrophobicContact CD1-CD1 4.11Å; L575-Y586 HydrophobicContact CD1-CE1 4.32Å; L575-Y586 HydrophobicContact CD2-CD1 3.77Å; G582-Y586 PolarHBondContact O-N 3.5Å; K583-Y586 WeakPolarHBondContact O-CB 3.47Å; K583-Y586 PolarHBondContact O-N 3.47Å; S584-Y586 VanDerWaalsContact C-N 3.33Å; S584-Y586 PolarHBondContact O-N 2.84Å; Y586-T589 WeakPolarHBondContact O-CB 3.44Å; Y586-T589 PolarHBondContact O-N 2.95Å; Y586-I590 HydrophobicContact CD1-CD1 4.12Å; Y586-I590 HydrophobicContact CE1-CD1 3.75Å; Y586-I590 HydrophobicContact CE2-CD1 4.39Å; Y586-I590 PolarHBondContact O-N 3.26Å; Y586-L710 HydrophobicContact CE1-CD1 3.96Å; Y586-A727 HydrophobicContact CD1-CB 4.33Å; Y586-A727 HydrophobicContact CD2-CB 4.03Å; Y586-A727 HydrophobicContact CE1-CB 3.97Å; Y586-A727 HydrophobicContact CE2-CB 3.68Å; Y586-A727 HydrophobicContact CG-CB 4.34Å
587	M	95.4	Very high	92.3	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-43	175.3	-69.5	-173.7	-63.2	0	0	112.6	L575 K583 S584 T589 I590 A591 I654 D656 I688 A690	L575-M587 HydrophobicContact CD2-CG 3.87Å; L575-M587 HydrophobicContact CD2-SD 4.28Å; K583-M587 PolarHBondContact O-N 3.09Å; S584-M587 PolarHBondContact O-N 3.44Å; M587-T589 VanDerWaalsContact C-N 3.27Å; M587-T589 PolarHBondContact O-N 3.3Å; M587-I590 PolarHBondContact O-N 3.03Å; M587-A591 PolarHBondContact O-N 3.31Å; M587-A591 VanDerWaalsContact O-N 3.09Å; M587-I654 HydrophobicContact CB-CD1 4.3Å; M587-I654 HydrophobicContact CB-CG2 3.93Å; M587-I654 HydrophobicContact CE-CG2 4.49Å; M587-I654 HydrophobicContact CG-CG2 4.33Å; M587-I654 WeakPolarHBondContact O-CD1 3.34Å; M587-I654 HydrophobicContact SD-CG2 3.79Å; M587-D656 HydrophobicContact CE-CB 3.51Å; M587-D656 WeakPolarHBondContact CE-OD1 3.4Å; M587-I688 HydrophobicContact CG-CG2 3.82Å; M587-I688 HydrophobicContact SD-CG2 3.91Å; M587-A690 HydrophobicContact CE-CB 3.37Å; M587-A690 HydrophobicContact SD-CB 3.64Å
588	K	95	Very high	92.7	Very high	36 Å²	36	17.7 Å²	17.7	16%	0.157	11%	0.114	C	C	.	.	H	α-helix	trans	-56.2	-42.2	172.8	-77.1	-178.9	-175	-148.5	0	111.7	Y213 L214 Y548 S584 I585 I590 A591 L592	Y213-K588 HydrophobicContact CD1-CG 3.88Å; Y213-K588 HydrophobicContact CE1-CB 4.42Å; Y213-K588 HydrophobicContact CE1-CD 4.16Å; Y213-K588 HydrophobicContact CE1-CG 3.25Å; Y213-K588 WeakPolarHBondContact O-CE 3.26Å; Y213-K588 PolarHBondContact O-NZ 3.41Å; L214-K588 HydrophobicContact CD2-CB 4.39Å; L214-K588 HydrophobicContact CD2-CG 4.35Å; Y548-K588 HydrophobicContact CD2-CB 3.97Å; Y548-K588 HydrophobicContact CE1-CD 4.32Å; Y548-K588 HydrophobicContact CE2-CB 3.89Å; Y548-K588 HydrophobicContact CE2-CD 4.3Å; S584-K588 WeakPolarHBondContact O-CB 3.31Å; S584-K588 WeakPolarHBondContact O-CG 3.25Å; S584-K588 PolarHBondContact O-N 3.2Å; I585-K588 PolarHBondContact O-N 3.22Å; K588-I590 VanDerWaalsContact C-N 3.34Å; K588-I590 PolarHBondContact O-N 3.05Å; K588-A591 PolarHBondContact O-N 2.78Å; K588-L592 WeakPolarHBondContact O-CB 3.44Å; K588-L592 PolarHBondContact O-N 3.28Å
589	T	96.4	Very high	93.4	Very high	8 Å²	8	16.9 Å²	16.9	5%	0.049	11%	0.109	C	C	.	.	H	α-helix	trans	-57.8	-47.3	177.7	-58.4	0	0	0	0	111.1	Y548 I585 Y586 M587 L592 I593	Y548-T589 PolarHBondContact N-OG1 3.02Å; I585-T589 WeakPolarHBondContact O-CB 3.42Å; I585-T589 PolarHBondContact O-N 2.81Å; I585-T589 PolarHBondContact O-OG1 2.97Å; Y586-T589 WeakPolarHBondContact O-CB 3.44Å; Y586-T589 PolarHBondContact O-N 2.95Å; M587-T589 VanDerWaalsContact C-N 3.27Å; M587-T589 PolarHBondContact O-N 3.3Å; T589-L592 PolarHBondContact O-N 3.19Å; T589-I593 HydrophobicContact CG2-CD1 3.67Å; T589-I593 HydrophobicContact CG2-CG1 4.48Å; T589-I593 WeakPolarHBondContact O-CB 3.41Å; T589-I593 VanDerWaalsContact O-CG1 3.31Å; T589-I593 WeakPolarHBondContact O-CG1 3.36Å; T589-I593 PolarHBondContact O-N 3.45Å
590	I	97.3	Very high	94.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-64.6	-50	-178.2	-62.1	162.2	0	0	0	111.3	I541 I543 F563 Y586 M587 K588 L592 T594 I688	I541-I590 HydrophobicContact CG2-CG2 4.32Å; I543-I590 HydrophobicContact CD1-CB 4.24Å; I543-I590 HydrophobicContact CD1-CG1 4.2Å; I543-I590 HydrophobicContact CD1-CG2 4.08Å; F563-I590 HydrophobicContact CB-CD1 3.91Å; F563-I590 HydrophobicContact CB-CG1 3.96Å; F563-I590 HydrophobicContact CD1-CD1 3.91Å; F563-I590 HydrophobicContact CD1-CG1 4.06Å; F563-I590 HydrophobicContact CD1-CG2 3.83Å; F563-I590 HydrophobicContact CD2-CD1 3.54Å; F563-I590 HydrophobicContact CD2-CG1 4.43Å; F563-I590 HydrophobicContact CE1-CD1 4.32Å; F563-I590 HydrophobicContact CE1-CG2 3.95Å; F563-I590 HydrophobicContact CE2-CD1 3.99Å; F563-I590 HydrophobicContact CG-CD1 3.49Å; F563-I590 VanDerWaalsContact CG-CD1 3.49Å; F563-I590 HydrophobicContact CG-CG1 3.89Å; F563-I590 HydrophobicContact CZ-CD1 4.35Å; Y586-I590 HydrophobicContact CD1-CD1 4.12Å; Y586-I590 HydrophobicContact CE1-CD1 3.75Å; Y586-I590 HydrophobicContact CE2-CD1 4.39Å; Y586-I590 PolarHBondContact O-N 3.26Å; M587-I590 PolarHBondContact O-N 3.03Å; K588-I590 VanDerWaalsContact C-N 3.34Å; K588-I590 PolarHBondContact O-N 3.05Å; I590-L592 PolarHBondContact O-N 2.92Å; I590-T594 WeakPolarHBondContact O-CB 3.39Å; I590-T594 PolarHBondContact O-N 3.45Å; I590-T594 VanDerWaalsContact O-N 3.08Å; I590-T594 PolarHBondContact O-OG1 3.31Å; I590-I688 HydrophobicContact CB-CD1 4.21Å; I590-I688 HydrophobicContact CD1-CD1 3.63Å; I590-I688 HydrophobicContact CG2-CD1 3.84Å
591	A	96.6	Very high	94.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.6	-39.3	178.5	0	0	0	0	0	112.7	L214 M587 K588 T594 Y595 I616 I618 L652 I654	L214-A591 HydrophobicContact CD1-CB 4.11Å; L214-A591 HydrophobicContact CD2-CB 3.73Å; M587-A591 PolarHBondContact O-N 3.31Å; M587-A591 VanDerWaalsContact O-N 3.09Å; K588-A591 PolarHBondContact O-N 2.78Å; A591-T594 PolarHBondContact O-N 2.94Å; A591-Y595 VanDerWaalsContact O-CB 3.26Å; A591-Y595 WeakPolarHBondContact O-CB 3.38Å; A591-Y595 PolarHBondContact O-N 3.17Å; A591-I616 HydrophobicContact CB-CG2 4.32Å; A591-I618 HydrophobicContact CB-CD1 4.48Å; A591-L652 HydrophobicContact CB-CD2 4.39Å; A591-I654 HydrophobicContact CB-CD1 3.27Å
592	L	96.6	Very high	95.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.9	-43.1	-179.9	-169.3	83.2	0	0	0	111.8	L214 L240 Y548 P549 K588 T589 I590 T594 Y595 L596	L214-L592 HydrophobicContact CB-CD1 4.3Å; L214-L592 HydrophobicContact CD2-CB 4.47Å; L240-L592 HydrophobicContact CD1-CD1 4.38Å; L240-L592 HydrophobicContact CD1-CD2 4.35Å; L240-L592 HydrophobicContact CD2-CD1 3.82Å; Y548-L592 HydrophobicContact CD2-CD2 3.83Å; Y548-L592 HydrophobicContact CE2-CD2 3.91Å; P549-L592 HydrophobicContact CG-CD2 3.49Å; P549-L592 VanDerWaalsContact CG-CD2 3.49Å; K588-L592 WeakPolarHBondContact O-CB 3.44Å; K588-L592 PolarHBondContact O-N 3.28Å; T589-L592 PolarHBondContact O-N 3.19Å; I590-L592 PolarHBondContact O-N 2.92Å; L592-T594 VanDerWaalsContact C-N 3.32Å; L592-Y595 PolarHBondContact O-N 2.88Å; L592-L596 HydrophobicContact CD2-CD1 4.33Å; L592-L596 HydrophobicContact CG-CD1 4.22Å; L592-L596 HydrophobicContact CG-CG 4.47Å; L592-L596 WeakPolarHBondContact O-CB 3.48Å; L592-L596 WeakPolarHBondContact O-CG 3.49Å; L592-L596 PolarHBondContact O-N 3.01Å
593	I	97.7	Very high	95.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.2	-41.1	176.8	-72.9	171	0	0	0	110.5	I543 T589 L596 T597 I603 P604 A605 A608 I610	I543-I593 HydrophobicContact CD1-CB 4.04Å; I543-I593 HydrophobicContact CD1-CD1 4.19Å; I543-I593 HydrophobicContact CD1-CG2 3.94Å; I543-I593 HydrophobicContact CG1-CG2 4.08Å; I543-I593 HydrophobicContact CG2-CD1 3.66Å; T589-I593 HydrophobicContact CG2-CD1 3.67Å; T589-I593 HydrophobicContact CG2-CG1 4.48Å; T589-I593 WeakPolarHBondContact O-CB 3.41Å; T589-I593 VanDerWaalsContact O-CG1 3.31Å; T589-I593 WeakPolarHBondContact O-CG1 3.36Å; T589-I593 PolarHBondContact O-N 3.45Å; I593-L596 PolarHBondContact O-N 3.29Å; I593-T597 PolarHBondContact O-N 3.44Å; I593-T597 PolarHBondContact O-OG1 3.44Å; I593-I603 HydrophobicContact CG2-CB 4.2Å; I593-I603 HydrophobicContact CG2-CD1 3.71Å; I593-I603 HydrophobicContact CG2-CG2 4.21Å; I593-P604 HydrophobicContact CD1-CG 4.48Å; I593-P604 HydrophobicContact CG1-CG 3.98Å; I593-A605 HydrophobicContact CD1-CB 4.26Å; I593-A608 HydrophobicContact CG2-CB 4.48Å; I593-I610 HydrophobicContact CG2-CD1 3.64Å
594	T	96.6	Very high	96.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60	-48.4	173.8	-53	0	0	0	0	110.4	I590 A591 L592 T597 H598 I610 F613 I616 L652	I590-T594 WeakPolarHBondContact O-CB 3.39Å; I590-T594 PolarHBondContact O-N 3.45Å; I590-T594 VanDerWaalsContact O-N 3.08Å; I590-T594 PolarHBondContact O-OG1 3.31Å; A591-T594 PolarHBondContact O-N 2.94Å; L592-T594 VanDerWaalsContact C-N 3.32Å; T594-T597 WeakPolarHBondContact O-CB 3.32Å; T594-T597 PolarHBondContact O-N 3.45Å; T594-H598 PolarHBondContact O-N 3.49Å; T594-H598 PolarHBondContact O-ND1 3.41Å; T594-I610 HydrophobicContact CG2-CG2 4.32Å; T594-F613 HydrophobicContact CG2-CD2 3.77Å; T594-F613 HydrophobicContact CG2-CE2 4.2Å; T594-F613 HydrophobicContact CG2-CG 4.17Å; T594-I616 HydrophobicContact CG2-CD1 4.16Å; T594-L652 HydrophobicContact CG2-CD2 4.3Å
595	Y	96.5	Very high	96.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.5	-45.9	176.8	168.2	-86.5	0	0	0	113.1	V206 I216 L240 M260 P263 A591 L592 T597 H598 I599	V206-Y595 HydrophobicContact CG2-CD2 4.18Å; I216-Y595 HydrophobicContact CD1-CD1 4.13Å; I216-Y595 HydrophobicContact CD1-CD2 3.73Å; I216-Y595 HydrophobicContact CD1-CE1 3.93Å; I216-Y595 HydrophobicContact CD1-CE2 3.45Å; I216-Y595 VanDerWaalsContact CD1-CE2 3.45Å; I216-Y595 HydrophobicContact CD1-CG 4.06Å; I216-Y595 HydrophobicContact CG2-CE1 4.06Å; I216-Y595 HydrophobicContact CG2-CE2 4.43Å; I216-Y595 WeakPolarHBondContact CG2-OH 3.39Å; L240-Y595 HydrophobicContact CD2-CD1 4.08Å; L240-Y595 HydrophobicContact CD2-CE1 3.7Å; M260-Y595 VanDerWaalsContact C-OH 3.27Å; M260-Y595 WeakPolarHBondContact CA-OH 3.38Å; M260-Y595 VanDerWaalsContact CB-OH 3.3Å; M260-Y595 WeakPolarHBondContact CB-OH 3.39Å; M260-Y595 PolarHBondContact O-OH 3.38Å; P263-Y595 HydrophobicContact CB-CE2 4.28Å; P263-Y595 HydrophobicContact CG-CD2 3.79Å; P263-Y595 HydrophobicContact CG-CE2 3.29Å; A591-Y595 VanDerWaalsContact O-CB 3.26Å; A591-Y595 WeakPolarHBondContact O-CB 3.38Å; A591-Y595 PolarHBondContact O-N 3.17Å; L592-Y595 PolarHBondContact O-N 2.88Å; Y595-T597 VanDerWaalsContact C-N 3.26Å; Y595-T597 PolarHBondContact O-N 2.73Å; Y595-H598 WeakPolarHBondContact O-CA 3.46Å; Y595-H598 PolarHBondContact O-N 3.06Å; Y595-I599 HydrophobicContact CE1-CD1 4.23Å; Y595-I599 HydrophobicContact CE1-CG2 3.93Å; Y595-I599 HydrophobicContact CE2-CG2 4.27Å; Y595-I599 PolarHBondContact O-N 3.41Å; Y595-I599 VanDerWaalsContact O-N 3.12Å
596	L	97.1	Very high	96.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.5	-36.7	179.5	-81.7	171.9	0	0	0	111.9	L240 L244 W530 L592 I593 H598 I599 G600 S601 I603 P604	L240-L596 HydrophobicContact CD1-CD2 4.26Å; L240-L596 HydrophobicContact CD2-CD2 3.87Å; L240-L596 HydrophobicContact CD2-CG 4.36Å; L240-L596 HydrophobicContact CG-CD2 4.47Å; L244-L596 HydrophobicContact CD1-CD2 3.92Å; W530-L596 HydrophobicContact CH2-CD1 4.4Å; W530-L596 HydrophobicContact CZ3-CD1 4.29Å; W530-L596 HydrophobicContact CZ3-CD2 4.29Å; L592-L596 HydrophobicContact CD2-CD1 4.33Å; L592-L596 HydrophobicContact CG-CD1 4.22Å; L592-L596 HydrophobicContact CG-CG 4.47Å; L592-L596 WeakPolarHBondContact O-CB 3.48Å; L592-L596 WeakPolarHBondContact O-CG 3.49Å; L592-L596 PolarHBondContact O-N 3.01Å; I593-L596 PolarHBondContact O-N 3.29Å; L596-H598 VanDerWaalsContact C-N 3.31Å; L596-H598 PolarHBondContact O-N 3.44Å; L596-I599 HydrophobicContact CD2-CD1 3.78Å; L596-I599 HydrophobicContact CD2-CG1 4.41Å; L596-I599 WeakPolarHBondContact O-CG1 3.36Å; L596-I599 PolarHBondContact O-N 3.41Å; L596-G600 PolarHBondContact O-N 3.36Å; L596-S601 PolarHBondContact O-N 2.84Å; L596-S601 VanDerWaalsContact O-N 3.1Å; L596-I603 HydrophobicContact CB-CG2 3.86Å; L596-P604 VanDerWaalsContact CD1-CD 3.4Å; L596-P604 HydrophobicContact CD1-CG 4.11Å
597	T	97	Very high	96.6	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-59.4	-44.5	172	-55.2	0	0	0	0	110.2	I270 P533 I535 I593 T594 Y595 I599 G600 I610	I270-T597 WeakPolarHBondContact CG2-O 3.34Å; P533-T597 HydrophobicContact CB-CG2 4.07Å; P533-T597 HydrophobicContact CG-CG2 3.97Å; I535-T597 HydrophobicContact CG1-CG2 4.09Å; I593-T597 PolarHBondContact O-N 3.44Å; I593-T597 PolarHBondContact O-OG1 3.44Å; T594-T597 WeakPolarHBondContact O-CB 3.32Å; T594-T597 PolarHBondContact O-N 3.45Å; Y595-T597 VanDerWaalsContact C-N 3.26Å; Y595-T597 PolarHBondContact O-N 2.73Å; T597-I599 VanDerWaalsContact C-N 3.34Å; T597-I599 PolarHBondContact O-N 3.02Å; T597-G600 PolarHBondContact O-N 3.45Å; T597-I610 HydrophobicContact CG2-CB 4.45Å; T597-I610 HydrophobicContact CG2-CG2 4.43Å; T597-I610 WeakPolarHBondContact OG1-CD1 3.39Å
598	H	95.5	Very high	96.8	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-74.3	-16.7	-177.4	-71.5	71.5	0	0	0	114.4	L204 P263 I264 T594 Y595 L596 G600 F613	L204-H598 HydrophobicContact CB-CB 4.33Å; L204-H598 HydrophobicContact CD2-CB 3.73Å; P263-H598 HydrophobicContact CB-CB 3.94Å; I264-H598 WeakPolarHBondContact CB-O 3.46Å; I264-H598 PolarHBondContact N-O 2.77Å; I264-H598 VanDerWaalsContact O-CB 3.24Å; I264-H598 WeakPolarHBondContact O-CB 3.5Å; I264-H598 PolarHBondContact O-CD2 3.35Å; T594-H598 PolarHBondContact O-N 3.49Å; T594-H598 PolarHBondContact O-ND1 3.41Å; Y595-H598 WeakPolarHBondContact O-CA 3.46Å; Y595-H598 PolarHBondContact O-N 3.06Å; L596-H598 VanDerWaalsContact C-N 3.31Å; L596-H598 PolarHBondContact O-N 3.44Å; H598-G600 VanDerWaalsContact C-N 3.33Å; H598-F613 AromaticContact CE1-CD2 3.87Å; H598-F613 PolarHBondContact NE2-N 2.88Å
599	I	94.1	Very high	96.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-85.7	-7.4	168.3	68.6	172.5	0	0	0	112.6	L244 M260 P263 R273 F521 Y595 L596 T597	L244-I599 HydrophobicContact CD1-CD1 3.81Å; M260-I599 HydrophobicContact CG-CD1 4.34Å; P263-I599 HydrophobicContact CB-CG2 3.78Å; P263-I599 HydrophobicContact CG-CG2 4.08Å; R273-I599 VanDerWaalsContact CD-O 3.28Å; R273-I599 WeakPolarHBondContact CD-O 3.36Å; R273-I599 PolarHBondContact NH1-O 2.92Å; F521-I599 HydrophobicContact CE1-CD1 4.07Å; F521-I599 HydrophobicContact CZ-CB 4.47Å; F521-I599 HydrophobicContact CZ-CD1 3.82Å; F521-I599 HydrophobicContact CZ-CG1 4.11Å; Y595-I599 HydrophobicContact CE1-CD1 4.23Å; Y595-I599 HydrophobicContact CE1-CG2 3.93Å; Y595-I599 HydrophobicContact CE2-CG2 4.27Å; Y595-I599 PolarHBondContact O-N 3.41Å; Y595-I599 VanDerWaalsContact O-N 3.12Å; L596-I599 HydrophobicContact CD2-CD1 3.78Å; L596-I599 HydrophobicContact CD2-CG1 4.41Å; L596-I599 WeakPolarHBondContact O-CG1 3.36Å; L596-I599 PolarHBondContact O-N 3.41Å; T597-I599 VanDerWaalsContact C-N 3.34Å; T597-I599 PolarHBondContact O-N 3.02Å
600	G	96.1	Very high	96.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	28.2	-176.4	0	0	0	0	0	114	L596 T597 H598	L596-G600 PolarHBondContact O-N 3.36Å; T597-G600 PolarHBondContact O-N 3.45Å; H598-G600 VanDerWaalsContact C-N 3.33Å
601	S	97	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.			trans	-97.5	157.7	175.9	176.9	0	0	0	0	111.1	L274 L596	L274-S601 WeakPolarHBondContact CD2-O 3.42Å; L596-S601 PolarHBondContact O-N 2.84Å; L596-S601 VanDerWaalsContact O-N 3.1Å
602	Y	97.8	Very high	96.5	Very high	18 Å²	18	9.5 Å²	9.5	7%	0.071	5%	0.052	C	C	.	.			trans	-64.1	161.3	161	-80.3	-139	0	0	0	109.9	L274 V277 E278 L281 A525 W530 T531 R532	L274-Y602 HydrophobicContact CD2-CD2 4.03Å; L274-Y602 HydrophobicContact CD2-CE2 4.33Å; V277-Y602 HydrophobicContact CB-CD2 4.24Å; V277-Y602 HydrophobicContact CB-CE2 3.95Å; V277-Y602 HydrophobicContact CG1-CD2 3.54Å; V277-Y602 HydrophobicContact CG1-CE2 3.48Å; V277-Y602 VanDerWaalsContact CG1-CE2 3.48Å; V277-Y602 HydrophobicContact CG1-CG 4.34Å; E278-Y602 WeakPolarHBondContact CA-OH 3.48Å; E278-Y602 VanDerWaalsContact CB-OH 3.26Å; E278-Y602 WeakPolarHBondContact CB-OH 3.47Å; L281-Y602 HydrophobicContact CD1-CD1 4.11Å; L281-Y602 HydrophobicContact CD1-CE1 3.54Å; L281-Y602 HydrophobicContact CD1-CE2 4.38Å; A525-Y602 HydrophobicContact CB-CD1 3.94Å; A525-Y602 HydrophobicContact CB-CG 3.89Å; W530-Y602 WeakPolarHBondContact O-CD1 3.14Å; T531-Y602 VanDerWaalsContact C-CD1 3.42Å; T531-Y602 CarbonylContact O-C 3.59Å; T531-Y602 WeakPolarHBondContact O-CA 3.22Å; T531-Y602 WeakPolarHBondContact O-CB 3.32Å; R532-Y602 HydrophobicContact CB-CD1 4.37Å; R532-Y602 HydrophobicContact CB-CD2 4.48Å; R532-Y602 HydrophobicContact CB-CE1 3.89Å; R532-Y602 HydrophobicContact CB-CE2 4.01Å; R532-Y602 HydrophobicContact CG-CE2 4.13Å
603	I	98	Very high	96.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-123.6	150.8	-169.1	59.4	159.7	0	0	0	113.3	W530 T531 P533 I593 L596 A605 A608	W530-I603 WeakPolarHBondContact CA-O 3.22Å; W530-I603 VanDerWaalsContact CB-O 3.22Å; W530-I603 WeakPolarHBondContact CB-O 3.35Å; T531-I603 PolarHBondContact N-O 3.4Å; T531-I603 VanDerWaalsContact O-CG1 3.28Å; T531-I603 WeakPolarHBondContact O-CG1 3.5Å; T531-I603 PolarHBondContact O-N 3.17Å; P533-I603 HydrophobicContact CB-CD1 3.95Å; P533-I603 HydrophobicContact CB-CG1 4.21Å; P533-I603 HydrophobicContact CB-CG2 4.27Å; P533-I603 HydrophobicContact CG-CG2 4.06Å; I593-I603 HydrophobicContact CG2-CB 4.2Å; I593-I603 HydrophobicContact CG2-CD1 3.71Å; I593-I603 HydrophobicContact CG2-CG2 4.21Å; L596-I603 HydrophobicContact CB-CG2 3.86Å; I603-A605 VanDerWaalsContact C-N 3.26Å; I603-A605 HydrophobicContact CD1-CB 3.86Å; I603-A605 HydrophobicContact CG1-CB 4.34Å; I603-A605 PolarHBondContact O-N 2.97Å; I603-A608 HydrophobicContact CD1-CB 3.28Å
604	P	97	Very high	95.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-77.8	69.6	174.7	32.4	-36.9	0	0	0	111.6	G546 W547 P549 I593 L596	G546-P604 CarbonylContact C-O 3.59Å; G546-P604 VanDerWaalsContact CA-O 3.3Å; G546-P604 WeakPolarHBondContact CA-O 3.38Å; W547-P604 HydrophobicContact CD2-CB 3.85Å; W547-P604 VanDerWaalsContact CE2-CB 3.45Å; W547-P604 VanDerWaalsContact CE3-C 3.45Å; W547-P604 HydrophobicContact CE3-CB 4.43Å; W547-P604 HydrophobicContact CG-CB 4.24Å; W547-P604 HydrophobicContact CH2-CB 4.31Å; W547-P604 HydrophobicContact CZ2-CB 3.71Å; W547-P604 PolarHBondContact N-O 3.37Å; W547-P604 WeakPolarHBondContact O-CG 3.46Å; P549-P604 HydrophobicContact CB-CB 4.28Å; P549-P604 HydrophobicContact CB-CG 4.43Å; P549-P604 HydrophobicContact CG-CB 4.4Å; P549-P604 HydrophobicContact CG-CG 4.01Å; I593-P604 HydrophobicContact CD1-CG 4.48Å; I593-P604 HydrophobicContact CG1-CG 3.98Å; L596-P604 VanDerWaalsContact CD1-CD 3.4Å; L596-P604 HydrophobicContact CD1-CG 4.11Å
605	A	97.4	Very high	95.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	6%	0.059	C	C	.	.	S	Bend	trans	-148.4	164.4	175.5	0	0	0	0	0	111.4	T531 I543 W547 I593 I603	T531-A605 WeakPolarHBondContact CB-O 3.48Å; T531-A605 WeakPolarHBondContact CG2-O 3.31Å; T531-A605 PolarHBondContact OG1-O 3.45Å; I543-A605 HydrophobicContact CG2-CB 4.31Å; W547-A605 VanDerWaalsContact CZ3-CA 3.43Å; W547-A605 VanDerWaalsContact CZ3-N 3.3Å; I593-A605 HydrophobicContact CD1-CB 4.26Å; I603-A605 VanDerWaalsContact C-N 3.26Å; I603-A605 HydrophobicContact CD1-CB 3.86Å; I603-A605 HydrophobicContact CG1-CB 4.34Å; I603-A605 PolarHBondContact O-N 2.97Å
606	E	97.4	Very high	95.5	Very high	83 Å²	83	10.8 Å²	10.8	39%	0.388	6%	0.059	S	C	.	.	S	Bend	trans	-73.3	-22.4	166	-74.5	-178.3	-155.4	0	0	111.3	Y544 K545 K560	Y544-E606 HydrophobicContact CD1-CB 3.54Å; Y544-E606 HydrophobicContact CE1-CB 3.86Å; Y544-E606 WeakPolarHBondContact CE1-OE2 3.08Å; Y544-E606 PolarHBondContact O-N 3.29Å; K545-E606 HydrophobicContact CB-CB 4.27Å; K545-E606 HydrophobicContact CB-CG 4.14Å; K545-E606 HydrophobicContact CD-CG 4.27Å; K545-E606 WeakPolarHBondContact CD-OE1 3.39Å; K545-E606 WeakPolarHBondContact CD-OE2 3.38Å; K545-E606 IonicContact NZ-OE1 3.86Å; K545-E606 PolarHBondContact NZ-OE1 2.91Å; K545-E606 VanDerWaalsContact NZ-OE1 3.17Å; K545-E606 IonicContact NZ-OE2 3.51Å; K545-E606 PolarHBondContact NZ-OE2 3.41Å; K560-E606 IonicContact NZ-OE1 2.84Å
607	G	97.1	Very high	95.2	Very high	20 Å²	20	10.8 Å²	10.8	21%	0.206	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	163.4	167.8	0	0	0	0	0	111.8	Y544	Y544-G607 PolarHBondContact N-O 2.89Å; Y544-G607 PolarHBondContact O-N 3.11Å
608	A	97.6	Very high	94.9	Very high	14 Å²	14	10.8 Å²	10.8	12%	0.116	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	150.7	172.3	0	0	0	0	0	112.7	K534 H542 I543 I593 I603 I610	K534-A608 PolarHBondContact N-O 3.39Å; H542-A608 CarbonylContact O-C 3.51Å; H542-A608 WeakPolarHBondContact O-CA 3.4Å; H542-A608 VanDerWaalsContact O-CB 3.29Å; H542-A608 WeakPolarHBondContact O-CB 3.26Å; I543-A608 HydrophobicContact CG1-CB 4.43Å; I593-A608 HydrophobicContact CG2-CB 4.48Å; I603-A608 HydrophobicContact CD1-CB 3.28Å; A608-I610 HydrophobicContact CB-CD1 3.82Å; A608-I610 HydrophobicContact CB-CG1 4.05Å
609	K	96.9	Very high	94.6	Very high	47 Å²	47	10.9 Å²	10.9	20%	0.204	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.8	168.4	-171.9	-169	-172.9	-172.2	0	107.2	K534 V536 E538 H542	K534-K609 CarbonylContact O-C 3.48Å; K534-K609 WeakPolarHBondContact O-CA 3.21Å; V536-K609 HydrophobicContact CB-CG 4.32Å; V536-K609 HydrophobicContact CG1-CD 4.2Å; V536-K609 VanDerWaalsContact CG1-CE 3.43Å; V536-K609 HydrophobicContact CG1-CG 3.7Å; V536-K609 HydrophobicContact CG2-CD 4.23Å; V536-K609 HydrophobicContact CG2-CG 3.66Å; E538-K609 IonicContact OE1-NZ 3.42Å; E538-K609 PolarHBondContact OE1-NZ 3.17Å; E538-K609 IonicContact OE2-NZ 2.71Å; E538-K609 PolarHBondContact OE2-NZ 3.28Å; H542-K609 HydrophobicContact CB-CB 4.06Å; H542-K609 PolarHBondContact N-O 2.89Å; H542-K609 PolarHBondContact O-N 2.83Å
610	I	95.8	Very high	94	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.6	-169.7	-64.2	172.9	0	0	0	109.2	K534 I535 V536 I593 T594 T597 A608 F613	K534-I610 PolarHBondContact O-N 2.95Å; I535-I610 WeakPolarHBondContact CA-O 3.35Å; V536-I610 PolarHBondContact N-O 3.29Å; I593-I610 HydrophobicContact CG2-CD1 3.64Å; T594-I610 HydrophobicContact CG2-CG2 4.32Å; T597-I610 HydrophobicContact CG2-CB 4.45Å; T597-I610 HydrophobicContact CG2-CG2 4.43Å; T597-I610 WeakPolarHBondContact OG1-CD1 3.39Å; A608-I610 HydrophobicContact CB-CD1 3.82Å; A608-I610 HydrophobicContact CB-CG1 4.05Å; I610-F613 HydrophobicContact CG2-CD2 4.41Å; I610-F613 HydrophobicContact CG2-CE2 4.15Å
611	S	93.9	Very high	92.7	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.007	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	166.6	172.1	65	0	0	0	0	112.5	V536 E538 C540 F613	V536-S611 WeakPolarHBondContact O-CA 3.27Å; E538-S611 VanDerWaalsContact O-CB 3.25Å; E538-S611 WeakPolarHBondContact O-CB 3.34Å; C540-S611 PolarHBondContact O-N 3.01Å; C540-S611 PolarHBondContact O-OG 3.24Å; S611-F613 WeakPolarHBondContact O-CD2 3.18Å; S611-F613 WeakPolarHBondContact O-CE2 3.13Å; S611-F613 WeakPolarHBondContact OG-CE2 3.12Å
612	T	93.4	Very high	91	Very high	13 Å²	13	15.3 Å²	15.3	8%	0.08	9%	0.087	C	C	.	.			trans	-70.4	136.1	168.1	49.7	0	0	0	0	110.9	S265 E267 I535 K650	S265-T612 VanDerWaalsContact O-CG2 3.31Å; S265-T612 WeakPolarHBondContact O-CG2 3.3Å; E267-T612 HydrophobicContact CB-CG2 4.13Å; I535-T612 HydrophobicContact CG2-CG2 4.14Å; T612-K650 WeakPolarHBondContact O-CD 3.22Å; T612-K650 PolarHBondContact OG1-NZ 2.97Å
613	F	93.1	Very high	88.9	Confident	2 Å²	2	15.8 Å²	15.8	1%	0.009	9%	0.091	C	C	.	.			trans	-115.8	151.2	176.9	-74.6	-100.1	0	0	0	109.9	L204 S265 I541 T594 H598 I610 S611 K650 L652 Y686	L204-F613 VanDerWaalsContact CD1-C 3.46Å; L204-F613 HydrophobicContact CD1-CB 3.59Å; L204-F613 VanDerWaalsContact CD1-O 3.26Å; L204-F613 WeakPolarHBondContact CD1-O 3.19Å; S265-F613 WeakPolarHBondContact CB-O 3.32Å; I541-F613 HydrophobicContact CD1-CE1 3.95Å; I541-F613 HydrophobicContact CD1-CE2 4.13Å; I541-F613 HydrophobicContact CD1-CZ 3.41Å; I541-F613 VanDerWaalsContact CD1-CZ 3.41Å; I541-F613 HydrophobicContact CG1-CE1 4.37Å; I541-F613 HydrophobicContact CG1-CE2 3.81Å; I541-F613 HydrophobicContact CG1-CZ 3.36Å; T594-F613 HydrophobicContact CG2-CD2 3.77Å; T594-F613 HydrophobicContact CG2-CE2 4.2Å; T594-F613 HydrophobicContact CG2-CG 4.17Å; H598-F613 AromaticContact CE1-CD2 3.87Å; H598-F613 PolarHBondContact NE2-N 2.88Å; I610-F613 HydrophobicContact CG2-CD2 4.41Å; I610-F613 HydrophobicContact CG2-CE2 4.15Å; S611-F613 WeakPolarHBondContact O-CD2 3.18Å; S611-F613 WeakPolarHBondContact O-CE2 3.13Å; S611-F613 WeakPolarHBondContact OG-CE2 3.12Å; F613-K650 CarbonylContact C-O 3.59Å; F613-K650 WeakPolarHBondContact CA-O 3.45Å; F613-K650 VanDerWaalsContact CB-O 3.32Å; F613-K650 WeakPolarHBondContact CB-O 3.42Å; F613-K650 WeakPolarHBondContact CD1-O 3.2Å; F613-K650 WeakPolarHBondContact CG-O 3.37Å; F613-L652 HydrophobicContact CD1-CB 3.83Å; F613-L652 HydrophobicContact CE1-CB 3.95Å; F613-Y686 AromaticContact CE1-CD2 3.48Å; F613-Y686 HydrophobicContact CE1-CD2 3.48Å; F613-Y686 VanDerWaalsContact CE1-CD2 3.48Å; F613-Y686 HydrophobicContact CE1-CE2 4.1Å; F613-Y686 HydrophobicContact CE1-CG 4.03Å; F613-Y686 AromaticContact CZ-CD2 3.75Å; F613-Y686 HydrophobicContact CZ-CD2 3.75Å; F613-Y686 AromaticContact CZ-CE2 4Å; F613-Y686 HydrophobicContact CZ-CE2 4Å; F613-Y686 HydrophobicContact CZ-CG 4.23Å
614	D	89.3	Confident	86.6	Confident	24 Å²	24	18.5 Å²	18.5	13%	0.128	11%	0.11	C	C	.	.	S	Bend	trans	-106.8	-20.5	176.1	57.2	12.9	0	0	0	113.3	Q199 F205 T648 K650 T651	Q199-D614 PolarHBondContact NE2-O 2.9Å; F205-D614 WeakPolarHBondContact CB-O 3.19Å; F205-D614 PolarHBondContact N-O 2.77Å; D614-T648 PolarHBondContact OD1-OG1 2.93Å; D614-T648 WeakPolarHBondContact OD2-CB 3.36Å; D614-T648 WeakPolarHBondContact OD2-CG2 3.31Å; D614-T648 PolarHBondContact OD2-OG1 3.37Å; D614-K650 PolarHBondContact N-O 3.43Å; D614-T651 PolarHBondContact OD1-N 3.32Å; D614-T651 PolarHBondContact OD1-OG1 3.42Å
615	A	90.3	Very high	84.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	144.3	175.4	0	0	0	0	0	113.1	F205 T651 L652	F205-A615 HydrophobicContact CB-CB 4.05Å; F205-A615 HydrophobicContact CD1-CB 4.23Å; F205-A615 CarbonylContact O-C 3.53Å; F205-A615 VanDerWaalsContact O-CA 3.28Å; F205-A615 WeakPolarHBondContact O-CA 3.44Å; A615-T651 HydrophobicContact CB-CG2 4.02Å; A615-T651 WeakPolarHBondContact O-CA 3.42Å; A615-L652 PolarHBondContact O-N 3.09Å
616	I	92.8	Very high	81.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.6	163.6	-56.3	-179.8	0	0	0	108.1	L204 F205 V206 A591 T594 I618 L652	L204-I616 HydrophobicContact CD1-CG1 4.14Å; L204-I616 HydrophobicContact CD2-CD1 3.79Å; L204-I616 HydrophobicContact CD2-CG1 4.05Å; L204-I616 HydrophobicContact CG-CG1 4.43Å; F205-I616 PolarHBondContact O-N 2.79Å; V206-I616 HydrophobicContact CG2-CB 4.28Å; V206-I616 HydrophobicContact CG2-CD1 4.5Å; V206-I616 HydrophobicContact CG2-CG1 4.5Å; A591-I616 HydrophobicContact CB-CG2 4.32Å; T594-I616 HydrophobicContact CG2-CD1 4.16Å; I616-I618 HydrophobicContact CG2-CG1 4.24Å; I616-L652 CarbonylContact C-O 3.55Å; I616-L652 WeakPolarHBondContact CA-O 3.47Å; I616-L652 HydrophobicContact CG1-CB 4.35Å; I616-L652 HydrophobicContact CG1-CD2 4.4Å; I616-L652 HydrophobicContact CG2-CD2 4.36Å
617	H	91.2	Very high	79.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.3	174	-67.9	-73.8	0	0	0	110.6	F205 A643 L652 I653 I654	F205-H617 AromaticContact CD1-CE1 3.7Å; F205-H617 AromaticContact CE1-CE1 3.51Å; H617-A643 HydrophobicContact CB-CB 3.79Å; H617-L652 PolarHBondContact N-O 3.46Å; H617-I653 CarbonylContact O-C 3.59Å; H617-I653 WeakPolarHBondContact O-CA 3.34Å; H617-I654 PolarHBondContact O-N 2.76Å
618	I	90.6	Very high	77.4	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.3	175.8	-54.4	-172.1	0	0	0	109	A210 Y213 L214 A591 I616 T620 I654	A210-I618 HydrophobicContact CB-CB 4.08Å; A210-I618 HydrophobicContact CB-CD1 3.91Å; A210-I618 HydrophobicContact CB-CG1 3.74Å; Y213-I618 HydrophobicContact CD1-CD1 3.4Å; Y213-I618 HydrophobicContact CD1-CG1 4.47Å; Y213-I618 HydrophobicContact CD1-CG2 3.69Å; Y213-I618 HydrophobicContact CD2-CG2 3.92Å; Y213-I618 HydrophobicContact CE1-CD1 4.02Å; Y213-I618 HydrophobicContact CE1-CG2 3.96Å; Y213-I618 HydrophobicContact CE2-CG2 4.21Å; Y213-I618 HydrophobicContact CG-CD1 4.08Å; Y213-I618 HydrophobicContact CG-CG2 3.65Å; L214-I618 HydrophobicContact CD1-CD1 3.96Å; L214-I618 HydrophobicContact CD2-CD1 3.95Å; L214-I618 HydrophobicContact CG-CD1 3.68Å; A591-I618 HydrophobicContact CB-CD1 4.48Å; I616-I618 HydrophobicContact CG2-CG1 4.24Å; I618-T620 HydrophobicContact CG2-CG2 4.49Å; I618-I654 CarbonylContact C-O 3.59Å; I618-I654 WeakPolarHBondContact CA-O 3.48Å; I618-I654 HydrophobicContact CG1-CB 4.31Å; I618-I654 HydrophobicContact CG2-CB 4.42Å; I618-I654 HydrophobicContact CG2-CG2 4.38Å
619	L	89.1	Confident	75.4	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	103.1	-178.3	-48	-175.3	0	0	0	108	M639 A640 A643 I653 I654 M655 D656 F658 M674	L619-M639 VanDerWaalsContact CD2-C 3.42Å; L619-M639 HydrophobicContact CD2-CB 3.45Å; L619-M639 VanDerWaalsContact CD2-CB 3.45Å; L619-A640 HydrophobicContact CD1-CB 4.09Å; L619-A643 HydrophobicContact CD2-CB 4.34Å; L619-I653 HydrophobicContact CD1-CG2 3.96Å; L619-I653 HydrophobicContact CG-CG2 4.24Å; L619-I654 PolarHBondContact N-O 3.07Å; L619-M655 HydrophobicContact CB-CG 4.2Å; L619-M655 HydrophobicContact CD1-CE 3.83Å; L619-M655 HydrophobicContact CD1-CG 3.86Å; L619-M655 HydrophobicContact CD1-SD 4.47Å; L619-M655 HydrophobicContact CG-CG 4.35Å; L619-D656 PolarHBondContact O-N 2.99Å; L619-F658 HydrophobicContact CB-CD2 3.85Å; L619-F658 HydrophobicContact CB-CE2 4.16Å; L619-F658 HydrophobicContact CD1-CD2 4.31Å; L619-F658 HydrophobicContact CD1-CE2 4.13Å; L619-M674 HydrophobicContact CD1-CE 4.34Å
620	T	82.7	Confident	73.8	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.6	179.6	173.9	0	0	0	0	111.3	Y213 I618 T622 D623	Y213-T620 HydrophobicContact CD2-CG2 4.03Å; I618-T620 HydrophobicContact CG2-CG2 4.49Å; T620-T622 VanDerWaalsContact C-N 3.27Å; T620-T622 PolarHBondContact O-N 2.85Å; T620-T622 PolarHBondContact OG1-N 2.83Å; T620-T622 PolarHBondContact OG1-OG1 3.13Å; T620-D623 HydrophobicContact CG2-CB 4.35Å
621	G	67.5	Low	72.7	Confident	4 Å²	4	47.5 Å²	47.5	4%	0.041	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	9.1	175.9	0	0	0	0	0	114.7	T632 F658	G621-T632 VanDerWaalsContact O-CB 3.27Å; G621-T632 WeakPolarHBondContact O-CB 3.36Å; G621-T632 WeakPolarHBondContact O-CG2 3.28Å; G621-F658 PolarHBondContact N-O 3.03Å
622	T	61.1	Low	71.7	Confident	86 Å²	86	49.4 Å²	49.4	53%	0.528	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-11.7	-175	60.9	0	0	0	0	114.7	T620 S624	T620-T622 VanDerWaalsContact C-N 3.27Å; T620-T622 PolarHBondContact O-N 2.85Å; T620-T622 PolarHBondContact OG1-N 2.83Å; T620-T622 PolarHBondContact OG1-OG1 3.13Å; T622-S624 VanDerWaalsContact C-N 3.3Å; T622-S624 PolarHBondContact O-N 3.47Å; T622-S624 VanDerWaalsContact O-N 3.15Å
623	D	55.2	Low	71	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.144	27%	0.272	C	S	.	.			trans	-90.7	41	-168.3	-101.7	-24.7	0	0	0	114.6	K212 T620 T625	K212-D623 WeakPolarHBondContact CE-OD1 3.32Å; K212-D623 IonicContact NZ-OD1 3.95Å; K212-D623 PolarHBondContact NZ-OD1 3.34Å; T620-D623 HydrophobicContact CG2-CB 4.35Å; D623-T625 PolarHBondContact O-N 3.09Å
624	S	49.3	Very low	70.3	Confident	57 Å²	57	55.2 Å²	55.2	40%	0.399	29%	0.289	S	S	.	.			trans	-82.2	112.6	165.7	57.6	0	0	0	0	109.6	T622 T632	T622-S624 VanDerWaalsContact C-N 3.3Å; T622-S624 PolarHBondContact O-N 3.47Å; T622-S624 VanDerWaalsContact O-N 3.15Å; S624-T632 WeakPolarHBondContact OG-CG2 3.36Å
625	T	48.7	Very low	69.7	Low	49 Å²	49	54.7 Å²	54.7	30%	0.301	29%	0.286	S	S	.	.			trans	-78.5	138	152.2	70.3	0	0	0	0	107.1	D623 R627 D628	D623-T625 PolarHBondContact O-N 3.09Å; T625-R627 PolarHBondContact O-N 3.07Å; T625-D628 PolarHBondContact O-N 3.48Å; T625-D628 PolarHBondContact OG1-OD2 2.8Å
626	E	43.7	Very low	69.3	Low	198 Å²	198	54.7 Å²	54.7	93%	0.925	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-15.2	177.7	-64.9	176.3	162.9	0	0	113.4
627	R	47.7	Very low	68.8	Low	197 Å²	197	57 Å²	57	74%	0.743	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.8	-179.2	-64.3	-176.9	178.9	-179.4	-0.5	114.1	T625	T625-R627 PolarHBondContact O-N 3.07Å
628	D	54.5	Low	68.3	Low	49 Å²	49	57.9 Å²	57.9	26%	0.262	30%	0.302	S	S	.	.	S	Bend	trans	-94.2	105	178	-61.8	-43	0	0	0	106.8	T625 C630 M635	T625-D628 PolarHBondContact O-N 3.48Å; T625-D628 PolarHBondContact OG1-OD2 2.8Å; D628-C630 PolarHBondContact O-N 3.48Å; D628-M635 HydrophobicContact CB-CE 3.17Å
629	N	56.4	Low	68	Low	166 Å²	166	58.5 Å²	58.5	89%	0.888	31%	0.305	S	S	*	.			trans	-64.5	40.9	-176.5	-73	-22.8	0	0	0	114.5
630	C	63.7	Low	67.9	Low	46 Å²	46	58.6 Å²	58.6	31%	0.311	31%	0.306	S	S	.	.	S	Bend	trans	-127.5	143.1	-179.8	-70.4	0	0	0	0	109.7	D628 M635	D628-C630 PolarHBondContact O-N 3.48Å; C630-M635 HydrophobicContact CB-CE 4.02Å; C630-M635 HydrophobicContact CB-CG 3.92Å
631	S	71.6	Confident	68	Low	69 Å²	69	60.3 Å²	60.3	48%	0.483	32%	0.318	S	S	.	.			trans	-65	151.4	170.9	63.7	0	0	0	0	110.5	Y633 M634 M635	S631-Y633 PolarHBondContact O-N 2.79Å; S631-M634 PolarHBondContact O-N 3.5Å; S631-M634 WeakPolarHBondContact OG-CB 3.29Å; S631-M634 PolarHBondContact OG-N 2.83Å; S631-M634 VanDerWaalsContact OG-N 3.14Å; S631-M635 PolarHBondContact O-N 2.98Å
632	T	73.8	Confident	68.7	Low	41 Å²	41	60.2 Å²	60.2	25%	0.252	32%	0.317	S	S	.	.	H	α-helix	trans	-53.3	-36.1	172.9	48	0	0	0	0	112.4	G621 S624 A636	G621-T632 VanDerWaalsContact O-CB 3.27Å; G621-T632 WeakPolarHBondContact O-CB 3.36Å; G621-T632 WeakPolarHBondContact O-CG2 3.28Å; S624-T632 WeakPolarHBondContact OG-CG2 3.36Å; T632-A636 WeakPolarHBondContact O-CB 3.44Å; T632-A636 PolarHBondContact O-N 3.25Å; T632-A636 VanDerWaalsContact O-N 3.07Å
633	Y	79.3	Confident	69.9	Low	66 Å²	66	56.1 Å²	56.1	26%	0.259	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-49	174.3	-177.8	-101.8	0	0	0	112.5	S631 M635 A636 L637 A659 L667	S631-Y633 PolarHBondContact O-N 2.79Å; Y633-M635 VanDerWaalsContact C-N 3.34Å; Y633-M635 PolarHBondContact O-N 3.35Å; Y633-A636 PolarHBondContact O-N 3.4Å; Y633-L637 HydrophobicContact CD1-CD1 3.99Å; Y633-L637 HydrophobicContact CE1-CD1 3.36Å; Y633-L637 HydrophobicContact CE1-CG 4.15Å; Y633-L637 WeakPolarHBondContact O-CG 3.21Å; Y633-L637 PolarHBondContact O-N 2.84Å; Y633-L637 VanDerWaalsContact O-N 3.09Å; Y633-A659 HydrophobicContact CD2-CB 3.68Å; Y633-A659 HydrophobicContact CE2-CB 4.17Å; Y633-L667 HydrophobicContact CE2-CD1 4.3Å
634	M	77	Confident	71.4	Confident	72 Å²	72	57 Å²	57	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-43.9	178.9	-174.4	63.4	69.1	0	0	111.1	T150 S631 A636 L637 Q638	T150-M634 HydrophobicContact CG2-CE 4.49Å; T150-M634 HydrophobicContact CG2-CG 4.48Å; T150-M634 HydrophobicContact CG2-SD 4.28Å; S631-M634 PolarHBondContact O-N 3.5Å; S631-M634 WeakPolarHBondContact OG-CB 3.29Å; S631-M634 PolarHBondContact OG-N 2.83Å; S631-M634 VanDerWaalsContact OG-N 3.14Å; M634-A636 PolarHBondContact O-N 3.42Å; M634-L637 PolarHBondContact O-N 3.18Å; M634-Q638 HydrophobicContact CG-CG 4.5Å; M634-Q638 VanDerWaalsContact O-CG 3.29Å; M634-Q638 WeakPolarHBondContact O-CG 3.41Å; M634-Q638 PolarHBondContact O-N 3.36Å
635	M	77.2	Confident	73	Confident	13 Å²	13	57.1 Å²	57.1	6%	0.064	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-46.1	176.9	-69.2	175.9	169.8	0	0	112.3	D628 C630 S631 Y633 L637 Q638 M639	D628-M635 HydrophobicContact CB-CE 3.17Å; C630-M635 HydrophobicContact CB-CE 4.02Å; C630-M635 HydrophobicContact CB-CG 3.92Å; S631-M635 PolarHBondContact O-N 2.98Å; Y633-M635 VanDerWaalsContact C-N 3.34Å; Y633-M635 PolarHBondContact O-N 3.35Å; M635-L637 VanDerWaalsContact C-N 3.3Å; M635-L637 PolarHBondContact O-N 2.86Å; M635-Q638 WeakPolarHBondContact O-CB 3.44Å; M635-Q638 PolarHBondContact O-N 3.23Å; M635-Q638 VanDerWaalsContact O-N 3.11Å; M635-M639 WeakPolarHBondContact O-CG 3.22Å; M635-M639 PolarHBondContact O-N 2.87Å
636	A	81.3	Confident	74.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-42.2	177.1	0	0	0	0	0	112.1	T632 Y633 M634 M639 A640 F658 A659	T632-A636 WeakPolarHBondContact O-CB 3.44Å; T632-A636 PolarHBondContact O-N 3.25Å; T632-A636 VanDerWaalsContact O-N 3.07Å; Y633-A636 PolarHBondContact O-N 3.4Å; M634-A636 PolarHBondContact O-N 3.42Å; A636-M639 PolarHBondContact O-N 3.41Å; A636-A640 PolarHBondContact O-N 2.86Å; A636-F658 HydrophobicContact CB-CE2 4.25Å; A636-F658 WeakPolarHBondContact CB-O 3.44Å; A636-F658 WeakPolarHBondContact O-CE2 3.44Å; A636-A659 HydrophobicContact CB-CB 3.7Å
637	L	83.9	Confident	76.5	Confident	49 Å²	49	47.4 Å²	47.4	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-38.1	174.4	-68.4	-177.5	0	0	0	112.5	Y633 M634 M635 A640 S641 F658 L670	Y633-L637 HydrophobicContact CD1-CD1 3.99Å; Y633-L637 HydrophobicContact CE1-CD1 3.36Å; Y633-L637 HydrophobicContact CE1-CG 4.15Å; Y633-L637 WeakPolarHBondContact O-CG 3.21Å; Y633-L637 PolarHBondContact O-N 2.84Å; Y633-L637 VanDerWaalsContact O-N 3.09Å; M634-L637 PolarHBondContact O-N 3.18Å; M635-L637 VanDerWaalsContact C-N 3.3Å; M635-L637 PolarHBondContact O-N 2.86Å; L637-A640 PolarHBondContact O-N 3.43Å; L637-S641 VanDerWaalsContact O-CB 3.28Å; L637-S641 WeakPolarHBondContact O-CB 3.37Å; L637-S641 PolarHBondContact O-N 2.76Å; L637-F658 HydrophobicContact CD2-CE1 4.15Å; L637-F658 HydrophobicContact CD2-CZ 3.97Å; L637-L670 HydrophobicContact CD2-CD2 3.59Å
638	Q	80.2	Confident	78.3	Confident	19 Å²	19	40.1 Å²	40.1	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-46.9	174.9	-70.2	179.4	-27.7	0	0	111.2	M634 M635 A640 S641 V642	M634-Q638 HydrophobicContact CG-CG 4.5Å; M634-Q638 VanDerWaalsContact O-CG 3.29Å; M634-Q638 WeakPolarHBondContact O-CG 3.41Å; M634-Q638 PolarHBondContact O-N 3.36Å; M635-Q638 WeakPolarHBondContact O-CB 3.44Å; M635-Q638 PolarHBondContact O-N 3.23Å; M635-Q638 VanDerWaalsContact O-N 3.11Å; Q638-A640 VanDerWaalsContact C-N 3.34Å; Q638-A640 PolarHBondContact O-N 3.03Å; Q638-S641 WeakPolarHBondContact O-CB 3.27Å; Q638-S641 PolarHBondContact O-N 2.67Å; Q638-S641 VanDerWaalsContact O-N 3.17Å; Q638-V642 WeakPolarHBondContact O-CG2 3.38Å; Q638-V642 PolarHBondContact O-N 3.3Å
639	M	83.2	Confident	79.9	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.069	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-45.8	175.9	-65.4	171.8	170.8	0	0	111.3	S209 L619 M635 A636 S641 V642 A643	S209-M639 WeakPolarHBondContact OG-CE 3.24Å; L619-M639 VanDerWaalsContact CD2-C 3.42Å; L619-M639 HydrophobicContact CD2-CB 3.45Å; L619-M639 VanDerWaalsContact CD2-CB 3.45Å; M635-M639 WeakPolarHBondContact O-CG 3.22Å; M635-M639 PolarHBondContact O-N 2.87Å; A636-M639 PolarHBondContact O-N 3.41Å; M639-S641 VanDerWaalsContact C-N 3.32Å; M639-S641 PolarHBondContact O-N 3.33Å; M639-V642 PolarHBondContact O-N 2.77Å; M639-A643 WeakPolarHBondContact O-CB 3.33Å; M639-A643 PolarHBondContact O-N 3.34Å
640	A	87.2	Confident	81.5	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-43	175.2	0	0	0	0	0	111.8	L619 A636 L637 Q638 V642 A643 L644 F658 M674	L619-A640 HydrophobicContact CD1-CB 4.09Å; A636-A640 PolarHBondContact O-N 2.86Å; L637-A640 PolarHBondContact O-N 3.43Å; Q638-A640 VanDerWaalsContact C-N 3.34Å; Q638-A640 PolarHBondContact O-N 3.03Å; A640-V642 VanDerWaalsContact C-N 3.35Å; A640-V642 PolarHBondContact O-N 2.88Å; A640-A643 PolarHBondContact O-N 3.03Å; A640-L644 VanDerWaalsContact O-CB 3.31Å; A640-L644 WeakPolarHBondContact O-CB 3.36Å; A640-L644 WeakPolarHBondContact O-CG 3.3Å; A640-L644 PolarHBondContact O-N 3.34Å; A640-F658 HydrophobicContact CB-CE2 3.68Å; A640-F658 HydrophobicContact CB-CZ 3.69Å; A640-M674 HydrophobicContact CB-CE 3.56Å
641	S	84.7	Confident	82.8	Confident	40 Å²	40	31.9 Å²	31.9	28%	0.28	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-45.7	179.2	-157.3	0	0	0	0	111.6	L637 Q638 M639 R645	L637-S641 VanDerWaalsContact O-CB 3.28Å; L637-S641 WeakPolarHBondContact O-CB 3.37Å; L637-S641 PolarHBondContact O-N 2.76Å; Q638-S641 WeakPolarHBondContact O-CB 3.27Å; Q638-S641 PolarHBondContact O-N 2.67Å; Q638-S641 VanDerWaalsContact O-N 3.17Å; M639-S641 VanDerWaalsContact C-N 3.32Å; M639-S641 PolarHBondContact O-N 3.33Å; S641-R645 WeakPolarHBondContact O-CG 3.48Å; S641-R645 PolarHBondContact O-N 2.98Å; S641-R645 PolarHBondContact O-NH1 3.24Å; S641-R645 PolarHBondContact OG-NH1 2.88Å
642	V	82.3	Confident	83.9	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-45.8	175.8	172.6	0	0	0	0	111.4	P157 Q638 M639 A640 N646	P157-V642 HydrophobicContact CG-CG1 4.15Å; Q638-V642 WeakPolarHBondContact O-CG2 3.38Å; Q638-V642 PolarHBondContact O-N 3.3Å; M639-V642 PolarHBondContact O-N 2.77Å; A640-V642 VanDerWaalsContact C-N 3.35Å; A640-V642 PolarHBondContact O-N 2.88Å; V642-N646 PolarHBondContact O-N 2.89Å; V642-N646 PolarHBondContact O-ND2 3.28Å
643	A	85.9	Confident	84.9	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-49.6	179.3	0	0	0	0	0	111.4	H617 L619 M639 A640 R645 N646 L647	H617-A643 HydrophobicContact CB-CB 3.79Å; L619-A643 HydrophobicContact CD2-CB 4.34Å; M639-A643 WeakPolarHBondContact O-CB 3.33Å; M639-A643 PolarHBondContact O-N 3.34Å; A640-A643 PolarHBondContact O-N 3.03Å; A643-R645 VanDerWaalsContact C-N 3.31Å; A643-R645 PolarHBondContact O-N 3.07Å; A643-N646 PolarHBondContact O-N 3.5Å; A643-N646 VanDerWaalsContact O-N 3.15Å; A643-L647 VanDerWaalsContact O-CD2 3.25Å; A643-L647 WeakPolarHBondContact O-CD2 3.43Å; A643-L647 VanDerWaalsContact O-CG 3.26Å; A643-L647 WeakPolarHBondContact O-CG 3.39Å; A643-L647 PolarHBondContact O-N 3.06Å
644	L	87.9	Confident	85.7	Confident	46 Å²	46	23.6 Å²	23.6	24%	0.241	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-30.8	-176.6	-69.7	-179.5	0	0	0	113.5	A640 L647 M674 F677 L678	A640-L644 VanDerWaalsContact O-CB 3.31Å; A640-L644 WeakPolarHBondContact O-CB 3.36Å; A640-L644 WeakPolarHBondContact O-CG 3.3Å; A640-L644 PolarHBondContact O-N 3.34Å; L644-L647 HydrophobicContact CB-CD1 4.47Å; L644-L647 HydrophobicContact CD2-CD1 3.79Å; L644-L647 WeakPolarHBondContact O-CD1 3.35Å; L644-L647 WeakPolarHBondContact O-CG 3.49Å; L644-M674 HydrophobicContact CD1-CE 4.08Å; L644-M674 HydrophobicContact CD1-CG 4.43Å; L644-M674 HydrophobicContact CG-CE 4.48Å; L644-F677 HydrophobicContact CD2-CD1 4.22Å; L644-F677 HydrophobicContact CD2-CE1 4.32Å; L644-L678 HydrophobicContact CD2-CD2 3.82Å
645	R	82.6	Confident	86.4	Confident	59 Å²	59	20.2 Å²	20.2	22%	0.223	11%	0.106	C	C	.	.	H	α-helix	trans	-70.6	-31.7	174.9	-79.2	-168.3	-63.8	-82.5	-4.7	113.2	S154 L155 S641 A643	S154-R645 PolarHBondContact O-NH2 3.28Å; L155-R645 VanDerWaalsContact CA-NH2 3.27Å; L155-R645 PolarHBondContact O-NH2 3.38Å; S641-R645 WeakPolarHBondContact O-CG 3.48Å; S641-R645 PolarHBondContact O-N 2.98Å; S641-R645 PolarHBondContact O-NH1 3.24Å; S641-R645 PolarHBondContact OG-NH1 2.88Å; A643-R645 VanDerWaalsContact C-N 3.31Å; A643-R645 PolarHBondContact O-N 3.07Å
646	N	79	Confident	87	Confident	19 Å²	19	20 Å²	20	10%	0.102	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	25.5	-171.5	-61	-60.9	0	0	0	113.2	L197 V642 A643	L197-N646 HydrophobicContact CB-CB 4.37Å; L197-N646 WeakPolarHBondContact CB-OD1 3.22Å; L197-N646 PolarHBondContact N-OD1 3.3Å; V642-N646 PolarHBondContact O-N 2.89Å; V642-N646 PolarHBondContact O-ND2 3.28Å; A643-N646 PolarHBondContact O-N 3.5Å; A643-N646 VanDerWaalsContact O-N 3.15Å
647	L	86	Confident	87	Confident	24 Å²	24	23.4 Å²	23.4	13%	0.126	12%	0.121	C	C	.	.			trans	-73.4	136.6	-175.7	-65.9	173.5	0	0	0	113.1	A643 L644 T651 I653 F677 L678 K681 P685	A643-L647 VanDerWaalsContact O-CD2 3.25Å; A643-L647 WeakPolarHBondContact O-CD2 3.43Å; A643-L647 VanDerWaalsContact O-CG 3.26Å; A643-L647 WeakPolarHBondContact O-CG 3.39Å; A643-L647 PolarHBondContact O-N 3.06Å; L644-L647 HydrophobicContact CB-CD1 4.47Å; L644-L647 HydrophobicContact CD2-CD1 3.79Å; L644-L647 WeakPolarHBondContact O-CD1 3.35Å; L644-L647 WeakPolarHBondContact O-CG 3.49Å; L647-T651 HydrophobicContact CD2-CG2 4.24Å; L647-I653 HydrophobicContact CD2-CD1 3.51Å; L647-I653 HydrophobicContact CD2-CG1 4.42Å; L647-F677 HydrophobicContact CD1-CE1 4.31Å; L647-L678 HydrophobicContact CD1-CD2 3.37Å; L647-L678 HydrophobicContact CD2-CD2 4.32Å; L647-L678 HydrophobicContact CG-CD2 4.48Å; L647-K681 HydrophobicContact CD1-CD 4.41Å; L647-P685 HydrophobicContact CD2-CG 4.21Å
648	T	86.4	Confident	86.6	Confident	43 Å²	43	21.4 Å²	21.4	26%	0.264	11%	0.111	S	C	.	.			trans	-130.3	174.6	163.5	76.7	0	0	0	0	110.2	D614 K650 T651 P685	D614-T648 PolarHBondContact OD1-OG1 2.93Å; D614-T648 WeakPolarHBondContact OD2-CB 3.36Å; D614-T648 WeakPolarHBondContact OD2-CG2 3.31Å; D614-T648 PolarHBondContact OD2-OG1 3.37Å; T648-K650 PolarHBondContact O-N 3.2Å; T648-K650 PolarHBondContact OG1-N 3.08Å; T648-T651 PolarHBondContact N-OG1 2.91Å; T648-T651 PolarHBondContact O-N 3.47Å; T648-T651 PolarHBondContact O-OG1 2.67Å; T648-T651 PolarHBondContact OG1-N 3.41Å; T648-T651 PolarHBondContact OG1-OG1 3.23Å; T648-P685 WeakPolarHBondContact O-CB 3.28Å
649	S	87.8	Confident	86.4	Confident	24 Å²	24	21 Å²	21	17%	0.168	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.6	170.1	62.5	0	0	0	0	114.1
650	K	90.1	Very high	85.9	Confident	65 Å²	65	26.4 Å²	26.4	28%	0.283	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	17.2	-175.4	-71.2	-171.6	170.5	-162.6	0	112.6	T612 F613 D614 T648	T612-K650 WeakPolarHBondContact O-CD 3.22Å; T612-K650 PolarHBondContact OG1-NZ 2.97Å; F613-K650 CarbonylContact C-O 3.59Å; F613-K650 WeakPolarHBondContact CA-O 3.45Å; F613-K650 VanDerWaalsContact CB-O 3.32Å; F613-K650 WeakPolarHBondContact CB-O 3.42Å; F613-K650 WeakPolarHBondContact CD1-O 3.2Å; F613-K650 WeakPolarHBondContact CG-O 3.37Å; D614-K650 PolarHBondContact N-O 3.43Å; T648-K650 PolarHBondContact O-N 3.2Å; T648-K650 PolarHBondContact OG1-N 3.08Å
651	T	91.8	Very high	85.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.7	173.2	-56.7	0	0	0	0	110.9	D614 A615 L647 T648 I653 P685 Y686	D614-T651 PolarHBondContact OD1-N 3.32Å; D614-T651 PolarHBondContact OD1-OG1 3.42Å; A615-T651 HydrophobicContact CB-CG2 4.02Å; A615-T651 WeakPolarHBondContact O-CA 3.42Å; L647-T651 HydrophobicContact CD2-CG2 4.24Å; T648-T651 PolarHBondContact N-OG1 2.91Å; T648-T651 PolarHBondContact O-N 3.47Å; T648-T651 PolarHBondContact O-OG1 2.67Å; T648-T651 PolarHBondContact OG1-N 3.41Å; T648-T651 PolarHBondContact OG1-OG1 3.23Å; T651-I653 HydrophobicContact CG2-CG1 4.01Å; T651-P685 WeakPolarHBondContact O-CB 3.27Å; T651-Y686 PolarHBondContact O-N 2.77Å
652	L	94.9	Very high	84.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.2	169.1	174.8	62.1	0	0	0	109.9	I541 A591 T594 F613 A615 I616 H617 Y686 I688	I541-L652 HydrophobicContact CD1-CD1 4.04Å; A591-L652 HydrophobicContact CB-CD2 4.39Å; T594-L652 HydrophobicContact CG2-CD2 4.3Å; F613-L652 HydrophobicContact CD1-CB 3.83Å; F613-L652 HydrophobicContact CE1-CB 3.95Å; A615-L652 PolarHBondContact O-N 3.09Å; I616-L652 CarbonylContact C-O 3.55Å; I616-L652 WeakPolarHBondContact CA-O 3.47Å; I616-L652 HydrophobicContact CG1-CB 4.35Å; I616-L652 HydrophobicContact CG1-CD2 4.4Å; I616-L652 HydrophobicContact CG2-CD2 4.36Å; H617-L652 PolarHBondContact N-O 3.46Å; L652-Y686 CarbonylContact C-O 3.58Å; L652-Y686 WeakPolarHBondContact CA-O 3.27Å; L652-I688 HydrophobicContact CD1-CD1 4.49Å
653	I	95	Very high	84	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.2	177	-54.5	174.4	0	0	0	109.3	H617 L619 L647 T651 M655 L678 P685 Y686 T687 I688	H617-I653 CarbonylContact O-C 3.59Å; H617-I653 WeakPolarHBondContact O-CA 3.34Å; L619-I653 HydrophobicContact CD1-CG2 3.96Å; L619-I653 HydrophobicContact CG-CG2 4.24Å; L647-I653 HydrophobicContact CD2-CD1 3.51Å; L647-I653 HydrophobicContact CD2-CG1 4.42Å; T651-I653 HydrophobicContact CG2-CG1 4.01Å; I653-M655 HydrophobicContact CG2-CE 3.98Å; I653-M655 HydrophobicContact CG2-CG 4.13Å; I653-L678 HydrophobicContact CD1-CD1 4.1Å; I653-L678 HydrophobicContact CD1-CD2 4.38Å; I653-P685 HydrophobicContact CD1-CG 4.2Å; I653-Y686 PolarHBondContact N-O 3.23Å; I653-T687 HydrophobicContact CB-CG2 4.07Å; I653-T687 HydrophobicContact CG2-CG2 4.21Å; I653-T687 CarbonylContact O-C 3.55Å; I653-T687 VanDerWaalsContact O-CA 3.3Å; I653-T687 WeakPolarHBondContact O-CA 3.05Å; I653-I688 PolarHBondContact O-N 3.33Å
654	I	94.7	Very high	83.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.8	170	-64.7	-174.3	0	0	0	108.5	M587 A591 H617 I618 L619	M587-I654 HydrophobicContact CB-CD1 4.3Å; M587-I654 HydrophobicContact CB-CG2 3.93Å; M587-I654 HydrophobicContact CE-CG2 4.49Å; M587-I654 HydrophobicContact CG-CG2 4.33Å; M587-I654 WeakPolarHBondContact O-CD1 3.34Å; M587-I654 HydrophobicContact SD-CG2 3.79Å; A591-I654 HydrophobicContact CB-CD1 3.27Å; H617-I654 PolarHBondContact O-N 2.76Å; I618-I654 CarbonylContact C-O 3.59Å; I618-I654 WeakPolarHBondContact CA-O 3.48Å; I618-I654 HydrophobicContact CG1-CB 4.31Å; I618-I654 HydrophobicContact CG2-CB 4.42Å; I618-I654 HydrophobicContact CG2-CG2 4.38Å; L619-I654 PolarHBondContact N-O 3.07Å
655	M	92.6	Very high	83.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	100	172.5	-64.3	-178.4	-171.3	0	0	108.9	L619 I653 M674 L678 T687 I688 I689 A690	L619-M655 HydrophobicContact CB-CG 4.2Å; L619-M655 HydrophobicContact CD1-CE 3.83Å; L619-M655 HydrophobicContact CD1-CG 3.86Å; L619-M655 HydrophobicContact CD1-SD 4.47Å; L619-M655 HydrophobicContact CG-CG 4.35Å; I653-M655 HydrophobicContact CG2-CE 3.98Å; I653-M655 HydrophobicContact CG2-CG 4.13Å; M655-M674 HydrophobicContact CE-CE 3.71Å; M655-L678 HydrophobicContact CE-CD1 4.46Å; M655-T687 HydrophobicContact CE-CG2 4.23Å; M655-I688 PolarHBondContact N-O 3.02Å; M655-I689 HydrophobicContact CB-CB 4.37Å; M655-I689 HydrophobicContact CB-CG1 4.25Å; M655-I689 HydrophobicContact CB-CG2 4.18Å; M655-I689 HydrophobicContact CG-CG1 4.41Å; M655-I689 HydrophobicContact SD-CD1 4Å; M655-I689 HydrophobicContact SD-CG1 3.9Å; M655-A690 PolarHBondContact O-N 3.47Å
656	D	89.3	Confident	83.2	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	97.8	177.8	-166.9	5.5	0	0	0	109.5	Y213 S584 M587 L619 F658	Y213-D656 HydrophobicContact CE2-CB 4.21Å; Y213-D656 PolarHBondContact OH-OD2 2.84Å; S584-D656 WeakPolarHBondContact CB-OD2 3.2Å; S584-D656 PolarHBondContact OG-OD1 3Å; S584-D656 PolarHBondContact OG-OD2 2.8Å; M587-D656 HydrophobicContact CE-CB 3.51Å; M587-D656 WeakPolarHBondContact CE-OD1 3.4Å; L619-D656 PolarHBondContact O-N 2.99Å; D656-F658 PolarHBondContact O-N 3.18Å
657	E	81.3	Confident	83.4	Confident	70 Å²	70	47.4 Å²	47.4	33%	0.327	25%	0.246	S	C	.	.	S	Bend	trans	49.6	49	-175.6	-61.4	-175.9	-174.7	0	0	111.9	A659 H692	E657-A659 VanDerWaalsContact C-N 3.25Å; E657-A659 PolarHBondContact O-N 3.02Å; E657-H692 IonicContact OE1-CD2 2.89Å; E657-H692 IonicContact OE1-CE1 2.91Å; E657-H692 IonicContact OE1-NE2 3.28Å; E657-H692 PolarHBondContact OE1-NE2 2.84Å
658	F	76.7	Confident	83.2	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.035	24%	0.244	C	C	.	.			trans	-12.8	-58.7	-169.8	177.1	-129.5	0	0	0	116.6	L619 G621 A636 L637 A640 D656 L667 L670 M674	L619-F658 HydrophobicContact CB-CD2 3.85Å; L619-F658 HydrophobicContact CB-CE2 4.16Å; L619-F658 HydrophobicContact CD1-CD2 4.31Å; L619-F658 HydrophobicContact CD1-CE2 4.13Å; G621-F658 PolarHBondContact N-O 3.03Å; A636-F658 HydrophobicContact CB-CE2 4.25Å; A636-F658 WeakPolarHBondContact CB-O 3.44Å; A636-F658 WeakPolarHBondContact O-CE2 3.44Å; L637-F658 HydrophobicContact CD2-CE1 4.15Å; L637-F658 HydrophobicContact CD2-CZ 3.97Å; A640-F658 HydrophobicContact CB-CE2 3.68Å; A640-F658 HydrophobicContact CB-CZ 3.69Å; D656-F658 PolarHBondContact O-N 3.18Å; F658-L667 HydrophobicContact CD1-CD1 3.71Å; F658-L667 HydrophobicContact CE1-CD1 4.2Å; F658-L670 HydrophobicContact CE1-CD2 4.17Å; F658-M674 HydrophobicContact CE1-SD 3.89Å; F658-M674 HydrophobicContact CE2-CE 4.35Å; F658-M674 HydrophobicContact CZ-CE 4.1Å; F658-M674 HydrophobicContact CZ-SD 3.88Å
659	A	75.3	Confident	83.2	Confident	9 Å²	9	47.4 Å²	47.4	7%	0.074	25%	0.251	C	S	.	.			trans	-144.4	165	173.4	0	0	0	0	0	111.9	Y633 A636 E657 L667	Y633-A659 HydrophobicContact CD2-CB 3.68Å; Y633-A659 HydrophobicContact CE2-CB 4.17Å; A636-A659 HydrophobicContact CB-CB 3.7Å; E657-A659 VanDerWaalsContact C-N 3.25Å; E657-A659 PolarHBondContact O-N 3.02Å; A659-L667 HydrophobicContact CB-CD1 3.8Å; A659-L667 HydrophobicContact CB-CD2 4.47Å; A659-L667 WeakPolarHBondContact O-CD2 3.38Å
660	K	72.3	Confident	83.1	Confident	128 Å²	128	49.2 Å²	49.2	56%	0.557	26%	0.258	S	S	*	.			trans	-102.9	122.1	166.6	-66.7	-178.1	-178.8	177.5	0	108.7
661	S	71	Confident	83	Confident	47 Å²	47	46.5 Å²	46.5	33%	0.329	25%	0.247	S	C	.	.			trans	-134.4	148.7	178.4	178.3	0	0	0	0	111	N663	S661-N663 VanDerWaalsContact C-N 3.3Å; S661-N663 PolarHBondContact OG-N 3.24Å; S661-N663 VanDerWaalsContact OG-N 3.13Å; S661-N663 PolarHBondContact OG-O 3.49Å
662	V	64.7	Low	82.8	Confident	160 Å²	160	47.5 Å²	47.5	97%	0.97	25%	0.253	S	S	*	.	S	Bend	trans	-66.2	-36.2	170.5	-175.6	0	0	0	0	110.3	K664	V662-K664 PolarHBondContact O-N 3.46Å
663	N	79.1	Confident	82.6	Confident	65 Å²	65	49.9 Å²	49.9	35%	0.348	27%	0.272	S	S	.	.			trans	-96	85.2	176.2	-167.1	-10.2	0	0	0	110.6	S661 L665 E666 L667	S661-N663 VanDerWaalsContact C-N 3.3Å; S661-N663 PolarHBondContact OG-N 3.24Å; S661-N663 VanDerWaalsContact OG-N 3.13Å; S661-N663 PolarHBondContact OG-O 3.49Å; N663-L665 PolarHBondContact O-N 2.84Å; N663-L665 PolarHBondContact OD1-N 3.29Å; N663-E666 HydrophobicContact CB-CB 4.33Å; N663-E666 VanDerWaalsContact ND2-CG 3.32Å; N663-E666 WeakPolarHBondContact ND2-CG 3.4Å; N663-E666 PolarHBondContact ND2-OE1 3.22Å; N663-E666 PolarHBondContact ND2-OE2 3.29Å; N663-E666 VanDerWaalsContact ND2-OE2 3.16Å; N663-E666 PolarHBondContact O-N 3.25Å; N663-E666 PolarHBondContact OD1-N 3.44Å; N663-L667 PolarHBondContact O-N 3.4Å
664	K	78	Confident	82.3	Confident	116 Å²	116	50.5 Å²	50.5	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-57.6	-36.2	180	-169.3	176.2	179.8	178.5	0	112.5	V662 L667 D668	V662-K664 PolarHBondContact O-N 3.46Å; K664-L667 PolarHBondContact O-N 2.86Å; K664-D668 PolarHBondContact O-N 3.26Å
665	L	79.8	Confident	82.1	Confident	90 Å²	90	50.5 Å²	50.5	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-42.9	-177.4	-175.4	147	0	0	0	112.3	N663 L667 D668 A669 T766	N663-L665 PolarHBondContact O-N 2.84Å; N663-L665 PolarHBondContact OD1-N 3.29Å; L665-L667 VanDerWaalsContact C-N 3.34Å; L665-D668 PolarHBondContact O-N 3.31Å; L665-A669 WeakPolarHBondContact O-CB 3.31Å; L665-A669 PolarHBondContact O-N 3.41Å; L665-T766 HydrophobicContact CD1-CG2 4.5Å
666	E	82	Confident	82	Confident	117 Å²	117	52.9 Å²	52.9	55%	0.547	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-39.9	175.5	-80.8	172.9	-169.6	0	0	111.7	N663 A669 L670	N663-E666 HydrophobicContact CB-CB 4.33Å; N663-E666 VanDerWaalsContact ND2-CG 3.32Å; N663-E666 WeakPolarHBondContact ND2-CG 3.4Å; N663-E666 PolarHBondContact ND2-OE1 3.22Å; N663-E666 PolarHBondContact ND2-OE2 3.29Å; N663-E666 VanDerWaalsContact ND2-OE2 3.16Å; N663-E666 PolarHBondContact O-N 3.25Å; N663-E666 PolarHBondContact OD1-N 3.44Å; E666-A669 PolarHBondContact O-N 3.15Å; E666-L670 WeakPolarHBondContact O-CB 3.26Å; E666-L670 PolarHBondContact O-N 2.84Å
667	L	82.7	Confident	82	Confident	18 Å²	18	57.2 Å²	57.2	9%	0.094	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-43.2	175.9	177.2	64.9	0	0	0	112.1	Y633 F658 A659 N663 K664 L665 L670 T671	Y633-L667 HydrophobicContact CE2-CD1 4.3Å; F658-L667 HydrophobicContact CD1-CD1 3.71Å; F658-L667 HydrophobicContact CE1-CD1 4.2Å; A659-L667 HydrophobicContact CB-CD1 3.8Å; A659-L667 HydrophobicContact CB-CD2 4.47Å; A659-L667 WeakPolarHBondContact O-CD2 3.38Å; N663-L667 PolarHBondContact O-N 3.4Å; K664-L667 PolarHBondContact O-N 2.86Å; L665-L667 VanDerWaalsContact C-N 3.34Å; L667-L670 PolarHBondContact O-N 2.81Å; L667-T671 WeakPolarHBondContact O-CB 3.49Å; L667-T671 PolarHBondContact O-N 2.64Å; L667-T671 PolarHBondContact O-OG1 2.93Å
668	D	82.3	Confident	82.4	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-45.2	176.5	-58.6	-47	0	0	0	110.8	K664 L665 L670 T671 I672 N693 I696	K664-D668 PolarHBondContact O-N 3.26Å; L665-D668 PolarHBondContact O-N 3.31Å; D668-L670 VanDerWaalsContact C-N 3.31Å; D668-L670 PolarHBondContact O-N 2.81Å; D668-T671 PolarHBondContact O-N 3.3Å; D668-I672 WeakPolarHBondContact O-CD1 3.49Å; D668-I672 VanDerWaalsContact O-CG1 3.26Å; D668-I672 WeakPolarHBondContact O-CG1 3.44Å; D668-I672 PolarHBondContact O-N 2.89Å; D668-N693 PolarHBondContact OD1-ND2 3.02Å; D668-N693 PolarHBondContact OD2-ND2 2.95Å; D668-I696 HydrophobicContact CB-CD1 4.31Å; D668-I696 HydrophobicContact CB-CG1 4.2Å
669	A	85.3	Confident	83	Confident	50 Å²	50	54.7 Å²	54.7	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-41.8	178.1	0	0	0	0	0	111.2	L665 E666 I672 A673	L665-A669 WeakPolarHBondContact O-CB 3.31Å; L665-A669 PolarHBondContact O-N 3.41Å; E666-A669 PolarHBondContact O-N 3.15Å; A669-I672 PolarHBondContact O-N 3.27Å; A669-A673 VanDerWaalsContact O-CB 3.31Å; A669-A673 WeakPolarHBondContact O-CB 3.27Å; A669-A673 PolarHBondContact O-N 3.22Å
670	L	87.1	Confident	83.5	Confident	61 Å²	61	60.1 Å²	60.1	32%	0.319	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-43.9	175	-176.6	63.9	0	0	0	111.7	L637 F658 E666 L667 D668 I672 A673 M674	L637-L670 HydrophobicContact CD2-CD2 3.59Å; F658-L670 HydrophobicContact CE1-CD2 4.17Å; E666-L670 WeakPolarHBondContact O-CB 3.26Å; E666-L670 PolarHBondContact O-N 2.84Å; L667-L670 PolarHBondContact O-N 2.81Å; D668-L670 VanDerWaalsContact C-N 3.31Å; D668-L670 PolarHBondContact O-N 2.81Å; L670-I672 VanDerWaalsContact C-N 3.33Å; L670-I672 PolarHBondContact O-N 2.76Å; L670-A673 PolarHBondContact O-N 3.49Å; L670-M674 HydrophobicContact CG-SD 4.19Å; L670-M674 WeakPolarHBondContact O-CB 3.36Å; L670-M674 VanDerWaalsContact O-CG 3.26Å; L670-M674 WeakPolarHBondContact O-CG 3.44Å; L670-M674 PolarHBondContact O-N 3.26Å
671	T	87.5	Confident	84	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-42.3	177.5	-53.2	0	0	0	0	111.2	L667 D668 M674 A675 I689 I696	L667-T671 WeakPolarHBondContact O-CB 3.49Å; L667-T671 PolarHBondContact O-N 2.64Å; L667-T671 PolarHBondContact O-OG1 2.93Å; D668-T671 PolarHBondContact O-N 3.3Å; T671-M674 PolarHBondContact O-N 2.89Å; T671-A675 PolarHBondContact O-N 3.28Å; T671-I689 HydrophobicContact CG2-CG2 4.1Å; T671-I696 HydrophobicContact CG2-CD1 3.99Å
672	I	87.7	Confident	84.2	Confident	22 Å²	22	63.7 Å²	63.7	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-52.8	174.3	-66.3	160.1	0	0	0	109.6	D668 A669 L670 M674 A675 E676 I696 Q699 L700	D668-I672 WeakPolarHBondContact O-CD1 3.49Å; D668-I672 VanDerWaalsContact O-CG1 3.26Å; D668-I672 WeakPolarHBondContact O-CG1 3.44Å; D668-I672 PolarHBondContact O-N 2.89Å; A669-I672 PolarHBondContact O-N 3.27Å; L670-I672 VanDerWaalsContact C-N 3.33Å; L670-I672 PolarHBondContact O-N 2.76Å; I672-M674 PolarHBondContact O-N 3.48Å; I672-A675 PolarHBondContact O-N 2.88Å; I672-E676 HydrophobicContact CG2-CG 4.12Å; I672-E676 WeakPolarHBondContact O-CG 3.36Å; I672-E676 PolarHBondContact O-N 2.77Å; I672-I696 HydrophobicContact CD1-CB 4.41Å; I672-I696 HydrophobicContact CD1-CG1 4.06Å; I672-I696 HydrophobicContact CG1-CB 4.03Å; I672-I696 HydrophobicContact CG1-CG1 3.86Å; I672-I696 HydrophobicContact CG1-CG2 3.86Å; I672-Q699 HydrophobicContact CD1-CB 4.34Å; I672-Q699 HydrophobicContact CD1-CG 4.13Å; I672-Q699 HydrophobicContact CG2-CB 4.07Å; I672-L700 HydrophobicContact CG2-CD2 4.42Å
673	A	89.6	Confident	85	Confident	50 Å²	50	62 Å²	62	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-37.3	-179	0	0	0	0	0	112.4	A669 L670 F677	A669-A673 VanDerWaalsContact O-CB 3.31Å; A669-A673 WeakPolarHBondContact O-CB 3.27Å; A669-A673 PolarHBondContact O-N 3.22Å; L670-A673 PolarHBondContact O-N 3.49Å; A673-F677 VanDerWaalsContact O-CB 3.22Å; A673-F677 WeakPolarHBondContact O-CB 3.17Å; A673-F677 PolarHBondContact O-N 3.18Å
674	M	90.1	Very high	85.4	Confident	13 Å²	13	59.4 Å²	59.4	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-49.4	172.8	-73.3	173.9	68.3	0	0	111.4	L619 A640 L644 M655 F658 L670 T671 I672 E676 F677 L678	L619-M674 HydrophobicContact CD1-CE 4.34Å; A640-M674 HydrophobicContact CB-CE 3.56Å; L644-M674 HydrophobicContact CD1-CE 4.08Å; L644-M674 HydrophobicContact CD1-CG 4.43Å; L644-M674 HydrophobicContact CG-CE 4.48Å; M655-M674 HydrophobicContact CE-CE 3.71Å; F658-M674 HydrophobicContact CE1-SD 3.89Å; F658-M674 HydrophobicContact CE2-CE 4.35Å; F658-M674 HydrophobicContact CZ-CE 4.1Å; F658-M674 HydrophobicContact CZ-SD 3.88Å; L670-M674 HydrophobicContact CG-SD 4.19Å; L670-M674 WeakPolarHBondContact O-CB 3.36Å; L670-M674 VanDerWaalsContact O-CG 3.26Å; L670-M674 WeakPolarHBondContact O-CG 3.44Å; L670-M674 PolarHBondContact O-N 3.26Å; T671-M674 PolarHBondContact O-N 2.89Å; I672-M674 PolarHBondContact O-N 3.48Å; M674-E676 VanDerWaalsContact C-N 3.33Å; M674-E676 PolarHBondContact O-N 3.04Å; M674-F677 WeakPolarHBondContact O-CB 3.2Å; M674-F677 PolarHBondContact O-N 3.41Å; M674-L678 VanDerWaalsContact O-CG 3.27Å; M674-L678 WeakPolarHBondContact O-CG 3.41Å; M674-L678 PolarHBondContact O-N 3.42Å
675	A	89.6	Confident	86.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-41.7	177.8	0	0	0	0	0	112.2	I572 T671 I672 L678 L679 I689 L700	I572-A675 HydrophobicContact CD1-CB 4.02Å; I572-A675 WeakPolarHBondContact CD1-O 3.11Å; T671-A675 PolarHBondContact O-N 3.28Å; I672-A675 PolarHBondContact O-N 2.88Å; A675-L678 PolarHBondContact O-N 3.14Å; A675-L679 WeakPolarHBondContact O-CG 3.46Å; A675-L679 PolarHBondContact O-N 2.88Å; A675-I689 HydrophobicContact CB-CD1 3.92Å; A675-L700 HydrophobicContact CB-CD1 3.75Å; A675-L700 HydrophobicContact CB-CD2 4.02Å
676	E	89.7	Confident	86.8	Confident	51 Å²	51	49.7 Å²	49.7	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174.4	-67.1	-169.8	136.5	0	0	111.8	I672 M674 L678 L679 L680 L700 Y703	I672-E676 HydrophobicContact CG2-CG 4.12Å; I672-E676 WeakPolarHBondContact O-CG 3.36Å; I672-E676 PolarHBondContact O-N 2.77Å; M674-E676 VanDerWaalsContact C-N 3.33Å; M674-E676 PolarHBondContact O-N 3.04Å; E676-L678 PolarHBondContact O-N 3.5Å; E676-L679 PolarHBondContact O-N 2.86Å; E676-L679 VanDerWaalsContact O-N 3.17Å; E676-L680 WeakPolarHBondContact O-CB 3.47Å; E676-L680 VanDerWaalsContact O-CG 3.24Å; E676-L680 WeakPolarHBondContact O-CG 3.22Å; E676-L680 PolarHBondContact O-N 3.45Å; E676-L700 HydrophobicContact CG-CD2 3.81Å; E676-Y703 HydrophobicContact CG-CE2 3.85Å; E676-Y703 VanDerWaalsContact CG-OH 3.27Å; E676-Y703 WeakPolarHBondContact CG-OH 3.38Å; E676-Y703 PolarHBondContact OE1-OH 2.96Å
677	F	89.9	Confident	87.4	Confident	101 Å²	101	44.2 Å²	44.2	44%	0.443	24%	0.236	S	C	.	.	H	α-helix	trans	-56.5	-39.3	175.4	175.1	-97.8	0	0	0	112	L644 L647 A673 M674	L644-F677 HydrophobicContact CD2-CD1 4.22Å; L644-F677 HydrophobicContact CD2-CE1 4.32Å; L647-F677 HydrophobicContact CD1-CE1 4.31Å; A673-F677 VanDerWaalsContact O-CB 3.22Å; A673-F677 WeakPolarHBondContact O-CB 3.17Å; A673-F677 PolarHBondContact O-N 3.18Å; M674-F677 WeakPolarHBondContact O-CB 3.2Å; M674-F677 PolarHBondContact O-N 3.41Å
678	L	90.7	Very high	88	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-45.2	175.8	-62.8	176	0	0	0	112	I572 L644 L647 I653 M655 M674 A675 E676 L680 K681 C684 P685 T687	I572-L678 HydrophobicContact CD1-CB 4.16Å; L644-L678 HydrophobicContact CD2-CD2 3.82Å; L647-L678 HydrophobicContact CD1-CD2 3.37Å; L647-L678 HydrophobicContact CD2-CD2 4.32Å; L647-L678 HydrophobicContact CG-CD2 4.48Å; I653-L678 HydrophobicContact CD1-CD1 4.1Å; I653-L678 HydrophobicContact CD1-CD2 4.38Å; M655-L678 HydrophobicContact CE-CD1 4.46Å; M674-L678 VanDerWaalsContact O-CG 3.27Å; M674-L678 WeakPolarHBondContact O-CG 3.41Å; M674-L678 PolarHBondContact O-N 3.42Å; A675-L678 PolarHBondContact O-N 3.14Å; E676-L678 PolarHBondContact O-N 3.5Å; L678-L680 VanDerWaalsContact C-N 3.3Å; L678-L680 PolarHBondContact O-N 2.88Å; L678-K681 PolarHBondContact O-N 3.39Å; L678-C684 PolarHBondContact O-SG 3.43Å; L678-P685 HydrophobicContact CB-CG 4.48Å; L678-P685 HydrophobicContact CD2-CG 3.78Å; L678-P685 HydrophobicContact CG-CG 4.47Å; L678-T687 HydrophobicContact CD1-CG2 4.07Å; L678-T687 WeakPolarHBondContact CD1-OG1 3.43Å
679	L	87.8	Confident	88.5	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-32.7	179.3	-75.2	161.9	0	0	0	113.3	I572 A675 E676 K681 L700 Y703 Q706 V707	I572-L679 HydrophobicContact CB-CD2 4.46Å; I572-L679 HydrophobicContact CD1-CD1 3.89Å; I572-L679 HydrophobicContact CD1-CD2 3.97Å; I572-L679 HydrophobicContact CD1-CG 3.51Å; I572-L679 HydrophobicContact CG1-CD2 3.88Å; I572-L679 HydrophobicContact CG1-CG 4.03Å; A675-L679 WeakPolarHBondContact O-CG 3.46Å; A675-L679 PolarHBondContact O-N 2.88Å; E676-L679 PolarHBondContact O-N 2.86Å; E676-L679 VanDerWaalsContact O-N 3.17Å; L679-K681 VanDerWaalsContact C-N 3.31Å; L679-L700 HydrophobicContact CD1-CD2 4.15Å; L679-Y703 HydrophobicContact CB-CD1 4.07Å; L679-Y703 HydrophobicContact CB-CE1 4.33Å; L679-Y703 HydrophobicContact CD1-CD1 4.06Å; L679-Y703 HydrophobicContact CD1-CD2 3.83Å; L679-Y703 HydrophobicContact CD1-CE2 4.35Å; L679-Y703 HydrophobicContact CD1-CG 3.68Å; L679-Q706 HydrophobicContact CD2-CB 3.68Å; L679-V707 HydrophobicContact CD1-CG2 3.8Å; L679-V707 HydrophobicContact CD2-CG2 4.04Å
680	L	86.1	Confident	88.7	Confident	123 Å²	123	40.6 Å²	40.6	64%	0.644	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.6	-179.8	-68.3	172.8	0	0	0	113.2	E676 L678 Y703	E676-L680 WeakPolarHBondContact O-CB 3.47Å; E676-L680 VanDerWaalsContact O-CG 3.24Å; E676-L680 WeakPolarHBondContact O-CG 3.22Å; E676-L680 PolarHBondContact O-N 3.45Å; L678-L680 VanDerWaalsContact C-N 3.3Å; L678-L680 PolarHBondContact O-N 2.88Å; L680-Y703 HydrophobicContact CD2-CE1 4.21Å; L680-Y703 HydrophobicContact CG-CE1 4.48Å
681	K	82.9	Confident	88.6	Confident	73 Å²	73	38.4 Å²	38.4	32%	0.317	20%	0.199	S	C	.	.	S	Bend	trans	-72.5	139.4	170.1	-79.4	-170.1	167.1	-171.3	0	109.9	L647 L678 L679 E683	L647-K681 HydrophobicContact CD1-CD 4.41Å; L678-K681 PolarHBondContact O-N 3.39Å; L679-K681 VanDerWaalsContact C-N 3.31Å; K681-E683 PolarHBondContact O-N 3.39Å; K681-E683 VanDerWaalsContact O-N 3.1Å
682	N	76.6	Confident	88	Confident	177 Å²	177	41.2 Å²	41.2	95%	0.947	21%	0.212	S	C	*	.	S	Bend	trans	-53	-33.4	173.1	-67.7	-11.5	0	0	0	112
683	E	80.8	Confident	87.3	Confident	124 Å²	124	41 Å²	41	58%	0.579	21%	0.211	S	C	*	.	S	Bend	trans	-117.4	80.6	179.8	-79.6	-179	-168.6	0	0	109.7	K681 P685	K681-E683 PolarHBondContact O-N 3.39Å; K681-E683 VanDerWaalsContact O-N 3.1Å; E683-P685 WeakPolarHBondContact O-CD 3.27Å
684	C	87	Confident	86.5	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.074	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-68.9	125.2	178.9	-174.6	0	0	0	0	110.8	K571 L678	K571-C684 HydrophobicContact CB-CB 4.26Å; K571-C684 WeakPolarHBondContact CD-O 3.43Å; K571-C684 HydrophobicContact CG-CB 4.28Å; K571-C684 PolarHBondContact NZ-O 2.89Å; L678-C684 PolarHBondContact O-SG 3.43Å
685	P	92.2	Very high	85.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-70.2	166.9	172.9	29.9	-34.9	0	0	0	111.6	L647 T648 T651 I653 L678 E683	L647-P685 HydrophobicContact CD2-CG 4.21Å; T648-P685 WeakPolarHBondContact O-CB 3.28Å; T651-P685 WeakPolarHBondContact O-CB 3.27Å; I653-P685 HydrophobicContact CD1-CG 4.2Å; L678-P685 HydrophobicContact CB-CG 4.48Å; L678-P685 HydrophobicContact CD2-CG 3.78Å; L678-P685 HydrophobicContact CG-CG 4.47Å; E683-P685 WeakPolarHBondContact O-CD 3.27Å
686	Y	94.5	Very high	84.8	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.7	172.5	-67.8	-89.2	0	0	0	109.5	N539 C540 I541 S565 K571 F613 T651 L652 I653	N539-Y686 WeakPolarHBondContact CB-OH 3.47Å; N539-Y686 PolarHBondContact O-OH 2.9Å; C540-Y686 PolarHBondContact N-OH 2.77Å; I541-Y686 HydrophobicContact CD1-CD1 4.02Å; I541-Y686 HydrophobicContact CD1-CG 4.04Å; I541-Y686 HydrophobicContact CG1-CD1 4.24Å; I541-Y686 HydrophobicContact CG1-CE1 4.42Å; S565-Y686 WeakPolarHBondContact OG-CD1 3.48Å; S565-Y686 VanDerWaalsContact OG-CE1 3.22Å; S565-Y686 WeakPolarHBondContact OG-CE1 3.26Å; K571-Y686 HydrophobicContact CD-CD1 4.21Å; K571-Y686 HydrophobicContact CD-CE1 3.96Å; K571-Y686 HydrophobicContact CD-CE2 4.48Å; K571-Y686 PolarHBondContact NZ-OH 3.33Å; K571-Y686 VanDerWaalsContact NZ-OH 3.08Å; K571-Y686 CarbonylContact O-C 3.59Å; K571-Y686 WeakPolarHBondContact O-CA 3.33Å; F613-Y686 AromaticContact CE1-CD2 3.48Å; F613-Y686 HydrophobicContact CE1-CD2 3.48Å; F613-Y686 VanDerWaalsContact CE1-CD2 3.48Å; F613-Y686 HydrophobicContact CE1-CE2 4.1Å; F613-Y686 HydrophobicContact CE1-CG 4.03Å; F613-Y686 AromaticContact CZ-CD2 3.75Å; F613-Y686 HydrophobicContact CZ-CD2 3.75Å; F613-Y686 AromaticContact CZ-CE2 4Å; F613-Y686 HydrophobicContact CZ-CE2 4Å; F613-Y686 HydrophobicContact CZ-CG 4.23Å; T651-Y686 PolarHBondContact O-N 2.77Å; L652-Y686 CarbonylContact C-O 3.58Å; L652-Y686 WeakPolarHBondContact CA-O 3.27Å; I653-Y686 PolarHBondContact N-O 3.23Å
687	T	94.7	Very high	84	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.2	-175.5	-53.9	0	0	0	0	111.1	K571 I572 T573 I653 M655 L678 I689	K571-T687 PolarHBondContact O-N 3.35Å; I572-T687 CarbonylContact C-O 3.35Å; I572-T687 VanDerWaalsContact CA-O 3.31Å; I572-T687 WeakPolarHBondContact CA-O 3.33Å; T573-T687 PolarHBondContact N-O 3.44Å; I653-T687 HydrophobicContact CB-CG2 4.07Å; I653-T687 HydrophobicContact CG2-CG2 4.21Å; I653-T687 CarbonylContact O-C 3.55Å; I653-T687 VanDerWaalsContact O-CA 3.3Å; I653-T687 WeakPolarHBondContact O-CA 3.05Å; M655-T687 HydrophobicContact CE-CG2 4.23Å; L678-T687 HydrophobicContact CD1-CG2 4.07Å; L678-T687 WeakPolarHBondContact CD1-OG1 3.43Å; T687-I689 HydrophobicContact CG2-CD1 4.11Å; T687-I689 HydrophobicContact CG2-CG1 3.75Å
688	I	95.1	Very high	83.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.2	173.7	-54.3	165.7	0	0	0	108.1	F563 T573 M587 I590 L652 I653 M655	F563-I688 HydrophobicContact CE1-CD1 4.31Å; F563-I688 HydrophobicContact CE2-CD1 4.23Å; F563-I688 HydrophobicContact CE2-CG1 4.44Å; F563-I688 HydrophobicContact CZ-CD1 3.85Å; F563-I688 HydrophobicContact CZ-CG1 4.08Å; T573-I688 CarbonylContact O-C 3.33Å; T573-I688 WeakPolarHBondContact O-CA 3.35Å; M587-I688 HydrophobicContact CG-CG2 3.82Å; M587-I688 HydrophobicContact SD-CG2 3.91Å; I590-I688 HydrophobicContact CB-CD1 4.21Å; I590-I688 HydrophobicContact CD1-CD1 3.63Å; I590-I688 HydrophobicContact CG2-CD1 3.84Å; L652-I688 HydrophobicContact CD1-CD1 4.49Å; I653-I688 PolarHBondContact O-N 3.33Å; M655-I688 PolarHBondContact N-O 3.02Å
689	I	93.2	Very high	82.7	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.8	-176.6	-50.9	179.4	0	0	0	108.8	I572 T573 L574 L575 M655 T671 A675 T687	I572-I689 HydrophobicContact CG2-CD1 4.13Å; T573-I689 PolarHBondContact O-N 3.39Å; L574-I689 HydrophobicContact CD2-CB 4.04Å; L574-I689 HydrophobicContact CD2-CD1 4.35Å; L574-I689 HydrophobicContact CD2-CG2 4.35Å; L575-I689 PolarHBondContact N-O 3.41Å; M655-I689 HydrophobicContact CB-CB 4.37Å; M655-I689 HydrophobicContact CB-CG1 4.25Å; M655-I689 HydrophobicContact CB-CG2 4.18Å; M655-I689 HydrophobicContact CG-CG1 4.41Å; M655-I689 HydrophobicContact SD-CD1 4Å; M655-I689 HydrophobicContact SD-CG1 3.9Å; T671-I689 HydrophobicContact CG2-CG2 4.1Å; A675-I689 HydrophobicContact CB-CD1 3.92Å; T687-I689 HydrophobicContact CG2-CD1 4.11Å; T687-I689 HydrophobicContact CG2-CG1 3.75Å
690	A	90.8	Very high	82.4	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.6	167.1	0	0	0	0	0	110.2	L575 M587 M655	L575-A690 WeakPolarHBondContact O-CA 3.32Å; M587-A690 HydrophobicContact CE-CB 3.37Å; M587-A690 HydrophobicContact SD-CB 3.64Å; M655-A690 PolarHBondContact O-N 3.47Å
691	T	83.4	Confident	82.1	Confident	15 Å²	15	50.3 Å²	50.3	9%	0.092	23%	0.233	C	C	.	.			trans	-143.6	148.5	178	-173.6	0	0	0	0	112.5	L575 N693 I696 L697	L575-T691 PolarHBondContact O-N 3.38Å; T691-N693 PolarHBondContact OG1-N 3.39Å; T691-I696 HydrophobicContact CG2-CD1 4.43Å; T691-L697 HydrophobicContact CG2-CD2 4.37Å
692	H	75.2	Confident	81.9	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.315	25%	0.252	S	S	.	.	S	Bend	trans	-92.3	-2	169.8	-62.6	-68.7	0	0	0	112.7	N579 K583 E657	N579-H692 PolarHBondContact OD1-CE1 3.04Å; N579-H692 PolarHBondContact OD1-NE2 3.26Å; K583-H692 PolarHBondContact NZ-CE1 3.05Å; E657-H692 IonicContact OE1-CD2 2.89Å; E657-H692 IonicContact OE1-CE1 2.91Å; E657-H692 IonicContact OE1-NE2 3.28Å; E657-H692 PolarHBondContact OE1-NE2 2.84Å
693	N	73.7	Confident	82.2	Confident	18 Å²	18	47.8 Å²	47.8	10%	0.096	22%	0.217	C	C	.	.			trans	-103.3	110.8	-168.1	-158.7	-36.4	0	0	0	113.3	D668 T691 K695 I696	D668-N693 PolarHBondContact OD1-ND2 3.02Å; D668-N693 PolarHBondContact OD2-ND2 2.95Å; T691-N693 PolarHBondContact OG1-N 3.39Å; N693-K695 PolarHBondContact O-N 3.07Å; N693-K695 VanDerWaalsContact OD1-CB 3.3Å; N693-K695 WeakPolarHBondContact OD1-CB 3.11Å; N693-K695 WeakPolarHBondContact OD1-CG 3.16Å; N693-K695 PolarHBondContact OD1-N 2.84Å; N693-I696 HydrophobicContact CB-CD1 4.17Å; N693-I696 HydrophobicContact CB-CG1 4.16Å; N693-I696 PolarHBondContact O-N 2.9Å
694	H	71.9	Confident	82.3	Confident	52 Å²	52	43.6 Å²	43.6	24%	0.241	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-17.7	179.3	-47.8	-53.1	0	0	0	114.4	L697 R698 N732 L733	H694-L697 HydrophobicContact CB-CD1 4.12Å; H694-L697 WeakPolarHBondContact O-CB 3.42Å; H694-L697 PolarHBondContact O-N 2.95Å; H694-R698 PolarHBondContact O-N 3.21Å; H694-N732 PolarHBondContact CE1-O 3.04Å; H694-N732 PolarHBondContact ND1-O 3.47Å; H694-L733 HydrophobicContact CB-CD2 4.01Å; H694-L733 PolarHBondContact NE2-O 2.69Å
695	K	70.4	Confident	82.4	Confident	111 Å²	111	46.8 Å²	46.8	48%	0.483	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-38.7	176.5	-65.9	-177.1	179.3	-179.7	0	112.1	N693 L697 R698 Q699	N693-K695 PolarHBondContact O-N 3.07Å; N693-K695 VanDerWaalsContact OD1-CB 3.3Å; N693-K695 WeakPolarHBondContact OD1-CB 3.11Å; N693-K695 WeakPolarHBondContact OD1-CG 3.16Å; N693-K695 PolarHBondContact OD1-N 2.84Å; K695-L697 PolarHBondContact O-N 2.84Å; K695-R698 PolarHBondContact O-N 3.42Å; K695-Q699 PolarHBondContact O-N 2.58Å
696	I	73.9	Confident	82.2	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-41.9	177	-58.3	-176.6	0	0	0	109.8	L574 D668 T671 I672 T691 N693 R698 Q699 L700	L574-I696 HydrophobicContact CD2-CG2 4.12Å; D668-I696 HydrophobicContact CB-CD1 4.31Å; D668-I696 HydrophobicContact CB-CG1 4.2Å; T671-I696 HydrophobicContact CG2-CD1 3.99Å; I672-I696 HydrophobicContact CD1-CB 4.41Å; I672-I696 HydrophobicContact CD1-CG1 4.06Å; I672-I696 HydrophobicContact CG1-CB 4.03Å; I672-I696 HydrophobicContact CG1-CG1 3.86Å; I672-I696 HydrophobicContact CG1-CG2 3.86Å; T691-I696 HydrophobicContact CG2-CD1 4.43Å; N693-I696 HydrophobicContact CB-CD1 4.17Å; N693-I696 HydrophobicContact CB-CG1 4.16Å; N693-I696 PolarHBondContact O-N 2.9Å; I696-R698 PolarHBondContact O-N 3.37Å; I696-Q699 PolarHBondContact O-N 3.35Å; I696-L700 HydrophobicContact CG2-CD1 3.92Å; I696-L700 PolarHBondContact O-N 3.42Å
697	L	73.4	Confident	82	Confident	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-46.5	-178.3	-51.4	171.7	0	0	0	111.8	L574 T576 T691 H694 K695 Q701 Y709 L731 L733	L574-L697 HydrophobicContact CB-CD2 3.93Å; L574-L697 HydrophobicContact CD1-CD2 4.1Å; L574-L697 HydrophobicContact CG-CD2 4.44Å; T576-L697 HydrophobicContact CG2-CD1 3.91Å; T576-L697 HydrophobicContact CG2-CD2 3.76Å; T576-L697 HydrophobicContact CG2-CG 4.4Å; T691-L697 HydrophobicContact CG2-CD2 4.37Å; H694-L697 HydrophobicContact CB-CD1 4.12Å; H694-L697 WeakPolarHBondContact O-CB 3.42Å; H694-L697 PolarHBondContact O-N 2.95Å; K695-L697 PolarHBondContact O-N 2.84Å; L697-Q701 WeakPolarHBondContact O-CG 3.43Å; L697-Q701 PolarHBondContact O-N 2.76Å; L697-Y709 HydrophobicContact CB-CE1 4.35Å; L697-Y709 HydrophobicContact CD2-CD1 4.35Å; L697-Y709 HydrophobicContact CD2-CE1 4.35Å; L697-Y709 PolarHBondContact O-OH 2.88Å; L697-L731 HydrophobicContact CB-CD2 4.3Å; L697-L731 HydrophobicContact CD1-CD2 3.68Å; L697-L731 HydrophobicContact CD2-CD2 3.84Å; L697-L731 HydrophobicContact CG-CD2 4.13Å; L697-L733 HydrophobicContact CD1-CD2 4.17Å
698	R	73.9	Confident	81.9	Confident	183 Å²	183	50.6 Å²	50.6	69%	0.691	25%	0.246	S	C	*	.	H	α-helix	trans	-65.9	-38.9	-176.6	-71.8	-174.5	-179.1	175.3	0.1	113	H694 K695 I696	H694-R698 PolarHBondContact O-N 3.21Å; K695-R698 PolarHBondContact O-N 3.42Å; I696-R698 PolarHBondContact O-N 3.37Å
699	Q	79.1	Confident	81.7	Confident	107 Å²	107	52.5 Å²	52.5	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-69.9	-38.3	-177.8	-66.7	-61.6	-22	0	0	111.6	I672 K695 I696 Q701 M702	I672-Q699 HydrophobicContact CD1-CB 4.34Å; I672-Q699 HydrophobicContact CD1-CG 4.13Å; I672-Q699 HydrophobicContact CG2-CB 4.07Å; K695-Q699 PolarHBondContact O-N 2.58Å; I696-Q699 PolarHBondContact O-N 3.35Å; Q699-Q701 VanDerWaalsContact C-N 3.29Å; Q699-Q701 PolarHBondContact O-N 3.22Å; Q699-M702 WeakPolarHBondContact O-CG 3.44Å
700	L	82.4	Confident	81.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-79.8	-7.6	-176.6	-63.2	175.4	0	0	0	114.1	L574 I672 A675 E676 L679 I696 M702 Y703 V707 Y709	L574-L700 HydrophobicContact CD1-CB 4.05Å; L574-L700 HydrophobicContact CD1-CD1 3.81Å; L574-L700 HydrophobicContact CD2-CD1 3.96Å; L574-L700 HydrophobicContact CG-CD1 4.38Å; I672-L700 HydrophobicContact CG2-CD2 4.42Å; A675-L700 HydrophobicContact CB-CD1 3.75Å; A675-L700 HydrophobicContact CB-CD2 4.02Å; E676-L700 HydrophobicContact CG-CD2 3.81Å; L679-L700 HydrophobicContact CD1-CD2 4.15Å; I696-L700 HydrophobicContact CG2-CD1 3.92Å; I696-L700 PolarHBondContact O-N 3.42Å; L700-M702 PolarHBondContact O-N 2.88Å; L700-Y703 HydrophobicContact CD2-CD2 4.17Å; L700-Y703 HydrophobicContact CD2-CE2 4.03Å; L700-Y703 PolarHBondContact O-N 3.02Å; L700-V707 HydrophobicContact CB-CG1 4.41Å; L700-Y709 VanDerWaalsContact C-OH 3.28Å
701	Q	78.5	Confident	81.8	Confident	101 Å²	101	53.1 Å²	53.1	47%	0.472	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-61	-29.2	179.2	-82.2	174.5	-12.8	0	0	113.1	L697 Q699 Y703 G704 Y709	L697-Q701 WeakPolarHBondContact O-CG 3.43Å; L697-Q701 PolarHBondContact O-N 2.76Å; Q699-Q701 VanDerWaalsContact C-N 3.29Å; Q699-Q701 PolarHBondContact O-N 3.22Å; Q701-Y703 PolarHBondContact O-N 3Å; Q701-G704 PolarHBondContact O-N 3.16Å; Q701-Y709 WeakPolarHBondContact CA-OH 3.48Å; Q701-Y709 HydrophobicContact CG-CE1 4.5Å; Q701-Y709 HydrophobicContact CG-CE2 4.21Å; Q701-Y709 WeakPolarHBondContact CG-OH 3.46Å; Q701-Y709 PolarHBondContact N-OH 3.28Å
702	M	79.7	Confident	82.3	Confident	143 Å²	143	52.5 Å²	52.5	70%	0.704	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.6	-177.4	68.7	-170.1	-59.8	0	0	114.3	Q699 L700 G704	Q699-M702 WeakPolarHBondContact O-CG 3.44Å; L700-M702 PolarHBondContact O-N 2.88Å; M702-G704 PolarHBondContact O-N 2.84Å
703	Y	83	Confident	83.1	Confident	54 Å²	54	54.9 Å²	54.9	21%	0.212	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-83.9	3.1	179.7	-61.8	-87.3	0	0	0	113.3	E676 L679 L680 L700 Q701	E676-Y703 HydrophobicContact CG-CE2 3.85Å; E676-Y703 VanDerWaalsContact CG-OH 3.27Å; E676-Y703 WeakPolarHBondContact CG-OH 3.38Å; E676-Y703 PolarHBondContact OE1-OH 2.96Å; L679-Y703 HydrophobicContact CB-CD1 4.07Å; L679-Y703 HydrophobicContact CB-CE1 4.33Å; L679-Y703 HydrophobicContact CD1-CD1 4.06Å; L679-Y703 HydrophobicContact CD1-CD2 3.83Å; L679-Y703 HydrophobicContact CD1-CE2 4.35Å; L679-Y703 HydrophobicContact CD1-CG 3.68Å; L680-Y703 HydrophobicContact CD2-CE1 4.21Å; L680-Y703 HydrophobicContact CG-CE1 4.48Å; L700-Y703 HydrophobicContact CD2-CD2 4.17Å; L700-Y703 HydrophobicContact CD2-CE2 4.03Å; L700-Y703 PolarHBondContact O-N 3.02Å; Q701-Y703 PolarHBondContact O-N 3Å
704	G	83.4	Confident	83.8	Confident	37 Å²	37	55.8 Å²	55.8	38%	0.381	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	61.1	-134.9	168.3	0	0	0	0	0	113.5	Q701 M702 Q706 V707	Q701-G704 PolarHBondContact O-N 3.16Å; M702-G704 PolarHBondContact O-N 2.84Å; G704-Q706 PolarHBondContact O-N 3.44Å; G704-Q706 VanDerWaalsContact O-N 3.09Å; G704-V707 PolarHBondContact O-N 3.49Å; G704-V707 VanDerWaalsContact O-N 3.13Å
705	P	87.4	Confident	84.5	Confident	77 Å²	77	56 Å²	56	50%	0.5	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-70.9	-7.9	-168.6	31.7	-37.5	0	0	0	114.2	K569 H570 V707	K569-P705 CarbonylContact C-O 3.47Å; K569-P705 WeakPolarHBondContact CA-O 3.1Å; K569-P705 WeakPolarHBondContact CB-O 3.22Å; K569-P705 HydrophobicContact CD-CB 4.23Å; K569-P705 HydrophobicContact CG-CB 4.11Å; H570-P705 PolarHBondContact CD2-O 3.28Å; H570-P705 PolarHBondContact N-O 3.27Å; P705-V707 PolarHBondContact O-N 3.27Å
706	Q	88.6	Confident	85.1	Confident	63 Å²	63	56 Å²	56	29%	0.294	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-68.9	-24.1	172.6	-69.1	-66.9	-22.1	0	0	112	S568 H570 K571 I572 L679 G704	S568-Q706 PolarHBondContact O-NE2 2.95Å; H570-Q706 CarbonylContact C-O 3.55Å; H570-Q706 WeakPolarHBondContact CA-O 3.24Å; H570-Q706 PolarHBondContact N-O 3.35Å; K571-Q706 VanDerWaalsContact CG-OE1 3.26Å; K571-Q706 PolarHBondContact N-O 2.92Å; I572-Q706 PolarHBondContact N-O 3.42Å; L679-Q706 HydrophobicContact CD2-CB 3.68Å; G704-Q706 PolarHBondContact O-N 3.44Å; G704-Q706 VanDerWaalsContact O-N 3.09Å
707	V	90.6	Very high	85.4	Confident	8 Å²	8	61.1 Å²	61.1	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.6	-177.5	-175.1	0	0	0	0	110.1	I572 L574 L679 L700 G704 P705 Y709	I572-V707 HydrophobicContact CB-CG2 4.46Å; I572-V707 CarbonylContact O-C 3.57Å; I572-V707 VanDerWaalsContact O-CA 3.28Å; I572-V707 WeakPolarHBondContact O-CA 3.28Å; L574-V707 HydrophobicContact CD1-CG1 3.63Å; L574-V707 HydrophobicContact CG-CG1 4.23Å; L679-V707 HydrophobicContact CD1-CG2 3.8Å; L679-V707 HydrophobicContact CD2-CG2 4.04Å; L700-V707 HydrophobicContact CB-CG1 4.41Å; G704-V707 PolarHBondContact O-N 3.49Å; G704-V707 VanDerWaalsContact O-N 3.13Å; P705-V707 PolarHBondContact O-N 3.27Å; V707-Y709 HydrophobicContact CB-CE2 4.47Å; V707-Y709 HydrophobicContact CG1-CE1 4.22Å; V707-Y709 HydrophobicContact CG1-CE2 3.99Å
708	Q	91.9	Very high	85.5	Confident	15 Å²	15	69 Å²	69	7%	0.07	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.9	173.7	-172.6	-178.4	13.3	0	0	110.8	Y564 H570 I572 T573 L574 L710 N729	Y564-Q708 PolarHBondContact O-OE1 2.6Å; H570-Q708 HydrophobicContact CB-CB 3.78Å; H570-Q708 HydrophobicContact CB-CG 4.49Å; I572-Q708 PolarHBondContact O-N 2.91Å; T573-Q708 CarbonylContact C-O 3.53Å; T573-Q708 WeakPolarHBondContact CA-O 3.07Å; T573-Q708 HydrophobicContact CG2-CB 4.46Å; L574-Q708 PolarHBondContact N-O 3.39Å; Q708-L710 HydrophobicContact CG-CD2 4.37Å; Q708-L710 HydrophobicContact CG-CG 4.36Å; Q708-N729 PolarHBondContact NE2-OD1 3.13Å
709	Y	92	Very high	85.2	Confident	41 Å²	41	63.2 Å²	63.2	16%	0.161	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116	179.4	-65.6	-77.6	0	0	0	110.5	L574 L697 L700 Q701 V707 G730 L731	L574-Y709 HydrophobicContact CB-CD1 4.05Å; L574-Y709 HydrophobicContact CB-CE1 4.34Å; L574-Y709 HydrophobicContact CD1-CD1 3.93Å; L574-Y709 HydrophobicContact CD1-CE1 3.35Å; L574-Y709 HydrophobicContact CG-CE1 4.45Å; L697-Y709 HydrophobicContact CB-CE1 4.35Å; L697-Y709 HydrophobicContact CD2-CD1 4.35Å; L697-Y709 HydrophobicContact CD2-CE1 4.35Å; L697-Y709 PolarHBondContact O-OH 2.88Å; L700-Y709 VanDerWaalsContact C-OH 3.28Å; Q701-Y709 WeakPolarHBondContact CA-OH 3.48Å; Q701-Y709 HydrophobicContact CG-CE1 4.5Å; Q701-Y709 HydrophobicContact CG-CE2 4.21Å; Q701-Y709 WeakPolarHBondContact CG-OH 3.46Å; Q701-Y709 PolarHBondContact N-OH 3.28Å; V707-Y709 HydrophobicContact CB-CE2 4.47Å; V707-Y709 HydrophobicContact CG1-CE1 4.22Å; V707-Y709 HydrophobicContact CG1-CE2 3.99Å; Y709-G730 CarbonylContact C-O 3.58Å; Y709-G730 PolarHBondContact O-N 2.79Å; Y709-L731 HydrophobicContact CD1-CD1 4.09Å; Y709-L731 HydrophobicContact CD1-CD2 3.26Å; Y709-L731 HydrophobicContact CD1-CG 3.94Å; Y709-L731 HydrophobicContact CE1-CD1 4.42Å; Y709-L731 HydrophobicContact CE1-CD2 4.09Å; Y709-L731 HydrophobicContact CG-CD1 4.35Å; Y709-L731 HydrophobicContact CG-CD2 3.81Å; Y709-L731 HydrophobicContact CG-CG 4.09Å
710	L	93.7	Very high	84.9	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.8	175.3	-63.3	-177.3	0	0	0	110.5	F563 T573 L574 L575 T576 Y586 Q708 V728 N729 G730	F563-L710 HydrophobicContact CD2-CD1 4.34Å; T573-L710 HydrophobicContact CG2-CB 4.34Å; T573-L710 HydrophobicContact CG2-CD1 3.6Å; T573-L710 HydrophobicContact CG2-CG 3.81Å; L574-L710 PolarHBondContact O-N 3.37Å; L574-L710 VanDerWaalsContact O-O 3.13Å; L575-L710 CarbonylContact C-O 3.59Å; L575-L710 WeakPolarHBondContact CA-O 3.26Å; L575-L710 HydrophobicContact CD1-CB 3.83Å; T576-L710 PolarHBondContact N-O 2.91Å; T576-L710 PolarHBondContact OG1-O 3.18Å; T576-L710 VanDerWaalsContact OG1-O 3.07Å; Y586-L710 HydrophobicContact CE1-CD1 3.96Å; Q708-L710 HydrophobicContact CG-CD2 4.37Å; Q708-L710 HydrophobicContact CG-CG 4.36Å; L710-V728 WeakPolarHBondContact CA-O 3.48Å; L710-N729 WeakPolarHBondContact CD2-OD1 3.4Å; L710-G730 CarbonylContact C-O 3.59Å
711	T	92.7	Very high	84.7	Confident	13 Å²	13	66.2 Å²	66.2	8%	0.08	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.6	167.9	-177	0	0	0	0	110.8	T576 V728 N732	T576-T711 CarbonylContact O-C 3.32Å; T576-T711 VanDerWaalsContact O-CA 3.24Å; T576-T711 WeakPolarHBondContact O-CA 3.47Å; T576-T711 PolarHBondContact O-OG1 2.83Å; T576-T711 WeakPolarHBondContact OG1-CB 3.39Å; T711-V728 HydrophobicContact CG2-CG2 3.79Å; T711-V728 PolarHBondContact N-O 2.89Å; T711-V728 WeakPolarHBondContact O-CG2 3.37Å; T711-V728 PolarHBondContact O-N 3.04Å; T711-N732 HydrophobicContact CG2-CB 4.49Å; T711-N732 WeakPolarHBondContact OG1-CB 3.47Å
712	M	92.8	Very high	85	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.9	165.1	-56	-52.6	-64.4	0	0	109.3	L575 T576 S581 K583 Y725 E726 A727	L575-M712 HydrophobicContact CD1-SD 4.07Å; T576-M712 PolarHBondContact O-N 2.84Å; S581-M712 VanDerWaalsContact O-CE 3.27Å; S581-M712 WeakPolarHBondContact O-CE 3.4Å; S581-M712 WeakPolarHBondContact OG-CG 3.37Å; K583-M712 HydrophobicContact CG-CG 3.64Å; M712-Y725 WeakPolarHBondContact CE-O 3.31Å; M712-E726 CarbonylContact C-O 3.59Å; M712-E726 WeakPolarHBondContact CA-O 3.24Å; M712-A727 HydrophobicContact SD-CB 4.06Å
713	R	91.5	Very high	85.3	Confident	118 Å²	118	58.7 Å²	58.7	45%	0.445	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.9	-178.1	-169.4	-179.2	179.8	171.7	1.7	110.8	L724 E726 V728	R713-L724 HydrophobicContact CB-CB 4.4Å; R713-L724 HydrophobicContact CG-CD1 4.01Å; R713-L724 PolarHBondContact O-N 2.97Å; R713-E726 HydrophobicContact CB-CB 4.18Å; R713-E726 WeakPolarHBondContact CB-O 3.28Å; R713-E726 WeakPolarHBondContact CD-OE2 3.34Å; R713-E726 IonicContact CZ-OE2 3.15Å; R713-E726 PolarHBondContact N-O 3.38Å; R713-E726 IonicContact NE-OE2 3.15Å; R713-E726 IonicContact NH1-OE2 3.69Å; R713-E726 PolarHBondContact NH1-OE2 3.4Å; R713-V728 HydrophobicContact CB-CG1 4.24Å; R713-V728 HydrophobicContact CB-CG2 4.16Å
714	T	88.4	Confident	85.7	Confident	37 Å²	37	59 Å²	59	23%	0.227	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.1	179.4	56.1	0	0	0	0	110.4	P578 V721 V722	P578-T714 HydrophobicContact CG-CG2 3.63Å; T714-V721 HydrophobicContact CG2-CG1 3.89Å; T714-V722 CarbonylContact C-O 3.58Å; T714-V722 VanDerWaalsContact CA-O 3.28Å; T714-V722 WeakPolarHBondContact CA-O 3.11Å
715	V	87.2	Confident	86.1	Confident	58 Å²	58	62.7 Å²	62.7	35%	0.352	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.8	176.3	176.1	0	0	0	0	109.3	H717 V722 L724	V715-H717 PolarHBondContact O-N 2.93Å; V715-V722 PolarHBondContact N-O 3.43Å; V715-V722 PolarHBondContact O-N 3.47Å; V715-L724 HydrophobicContact CG2-CD1 3.58Å; V715-L724 HydrophobicContact CG2-CG 4.16Å
716	P	83	Confident	86.4	Confident	111 Å²	111	62.4 Å²	62.4	72%	0.721	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.1	169.4	29.3	-32.3	0	0	0	109.6	R720	P716-R720 CarbonylContact C-O 3.58Å; P716-R720 WeakPolarHBondContact CA-O 3.35Å
717	H	80.6	Confident	86.7	Confident	109 Å²	109	60.3 Å²	60.3	51%	0.505	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	121.4	177.5	-175.1	68.3	0	0	0	109.2	V715 G719 R720 V722	V715-H717 PolarHBondContact O-N 2.93Å; H717-G719 VanDerWaalsContact C-N 3.28Å; H717-G719 PolarHBondContact O-N 3.2Å; H717-R720 PolarHBondContact N-O 3.25Å; H717-R720 WeakPolarHBondContact O-CA 3.32Å; H717-R720 WeakPolarHBondContact O-CB 3.47Å; H717-R720 PolarHBondContact O-N 3.04Å; H717-R720 VanDerWaalsContact O-O 3.14Å; H717-V722 HydrophobicContact CB-CG2 3.82Å
718	E	74.9	Confident	86.9	Confident	166 Å²	166	62 Å²	62	78%	0.776	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	43.8	177.9	-59.6	-174.5	162.1	0	0	114	R720	E718-R720 PolarHBondContact O-N 2.86Å
719	G	68.5	Low	86.9	Confident	61 Å²	61	67.3 Å²	67.3	63%	0.629	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	1.4	-178.7	0	0	0	0	0	115	H717 S739	H717-G719 VanDerWaalsContact C-N 3.28Å; H717-G719 PolarHBondContact O-N 3.2Å; G719-S739 PolarHBondContact O-OG 2.9Å
720	R	72.5	Confident	86.6	Confident	142 Å²	142	66.7 Å²	66.7	54%	0.536	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	156	176.5	-51.5	-173.2	172	161.7	-1.9	111	P716 H717 E718 A743	P716-R720 CarbonylContact C-O 3.58Å; P716-R720 WeakPolarHBondContact CA-O 3.35Å; H717-R720 PolarHBondContact N-O 3.25Å; H717-R720 WeakPolarHBondContact O-CA 3.32Å; H717-R720 WeakPolarHBondContact O-CB 3.47Å; H717-R720 PolarHBondContact O-N 3.04Å; H717-R720 VanDerWaalsContact O-O 3.14Å; E718-R720 PolarHBondContact O-N 2.86Å; R720-A743 HydrophobicContact CB-CB 3.98Å; R720-A743 HydrophobicContact CG-CB 3.57Å
721	V	77.8	Confident	86	Confident	28 Å²	28	69 Å²	69	17%	0.17	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111	172	179.7	0	0	0	0	108.7	T714 E736	T714-V721 HydrophobicContact CG2-CG1 3.89Å; V721-E736 HydrophobicContact CG1-CG 4.32Å; V721-E736 HydrophobicContact CG2-CB 3.97Å; V721-E736 HydrophobicContact CG2-CG 3.86Å
722	V	84.6	Confident	85	Confident	62 Å²	62	69.5 Å²	69.5	38%	0.376	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.9	176.4	-179.7	0	0	0	0	108.8	T714 V715 H717 L724	T714-V722 CarbonylContact C-O 3.58Å; T714-V722 VanDerWaalsContact CA-O 3.28Å; T714-V722 WeakPolarHBondContact CA-O 3.11Å; V715-V722 PolarHBondContact N-O 3.43Å; V715-V722 PolarHBondContact O-N 3.47Å; H717-V722 HydrophobicContact CB-CG2 3.82Å; V722-L724 HydrophobicContact CG1-CD2 4.3Å
723	C	86.3	Confident	83.9	Confident	24 Å²	24	74 Å²	74	16%	0.162	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.7	174.9	-65.2	0	0	0	0	109.6	S581 Y725	S581-C723 VanDerWaalsContact CA-SG 3.58Å; C723-Y725 VanDerWaalsContact C-N 3.33Å; C723-Y725 HydrophobicContact CB-CE1 4.23Å; C723-Y725 WeakPolarHBondContact O-CD2 3.35Å; C723-Y725 WeakPolarHBondContact O-CE2 3.49Å
724	L	91.1	Very high	82.8	Confident	61 Å²	61	77.4 Å²	77.4	32%	0.319	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-3.5	179	-61.2	-173.5	0	0	0	113	R713 V715 V722 E726	R713-L724 HydrophobicContact CB-CB 4.4Å; R713-L724 HydrophobicContact CG-CD1 4.01Å; R713-L724 PolarHBondContact O-N 2.97Å; V715-L724 HydrophobicContact CG2-CD1 3.58Å; V715-L724 HydrophobicContact CG2-CG 4.16Å; V722-L724 HydrophobicContact CG1-CD2 4.3Å; L724-E726 PolarHBondContact O-N 2.94Å
725	Y	91.8	Very high	81.9	Confident	114 Å²	114	79.1 Å²	79.1	45%	0.447	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.2	15.9	-179	-49.1	-76	0	0	0	115	I559 N561 G580 S581 M712 C723	I559-Y725 HydrophobicContact CG1-CD2 4.49Å; N561-Y725 PolarHBondContact ND2-O 3.23Å; N561-Y725 PolarHBondContact OD1-O 2.85Å; G580-Y725 VanDerWaalsContact O-CE1 3.31Å; G580-Y725 WeakPolarHBondContact O-CE1 3.3Å; S581-Y725 WeakPolarHBondContact O-CD1 3.46Å; M712-Y725 WeakPolarHBondContact CE-O 3.31Å; C723-Y725 VanDerWaalsContact C-N 3.33Å; C723-Y725 HydrophobicContact CB-CE1 4.23Å; C723-Y725 WeakPolarHBondContact O-CD2 3.35Å; C723-Y725 WeakPolarHBondContact O-CE2 3.49Å
726	E	93.9	Very high	81.1	Confident	72 Å²	72	78.4 Å²	78.4	34%	0.336	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.4	177.5	-173.6	-174.7	-164.1	0	0	109.9	I559 N561 M712 R713 L724 V728	I559-E726 HydrophobicContact CG2-CB 4.42Å; N561-E726 VanDerWaalsContact OD1-CA 3.27Å; N561-E726 WeakPolarHBondContact OD1-CA 3.15Å; M712-E726 CarbonylContact C-O 3.59Å; M712-E726 WeakPolarHBondContact CA-O 3.24Å; R713-E726 HydrophobicContact CB-CB 4.18Å; R713-E726 WeakPolarHBondContact CB-O 3.28Å; R713-E726 WeakPolarHBondContact CD-OE2 3.34Å; R713-E726 IonicContact CZ-OE2 3.15Å; R713-E726 PolarHBondContact N-O 3.38Å; R713-E726 IonicContact NE-OE2 3.15Å; R713-E726 IonicContact NH1-OE2 3.69Å; R713-E726 PolarHBondContact NH1-OE2 3.4Å; L724-E726 PolarHBondContact O-N 2.94Å; E726-V728 HydrophobicContact CG-CG1 4.02Å
727	A	94.8	Very high	80.9	Confident	19 Å²	19	76.1 Å²	76.1	16%	0.157	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.9	173.3	0	0	0	0	0	109.8	N561 Y586 M712	N561-A727 PolarHBondContact OD1-N 3.28Å; Y586-A727 HydrophobicContact CD1-CB 4.33Å; Y586-A727 HydrophobicContact CD2-CB 4.03Å; Y586-A727 HydrophobicContact CE1-CB 3.97Å; Y586-A727 HydrophobicContact CE2-CB 3.68Å; Y586-A727 HydrophobicContact CG-CB 4.34Å; M712-A727 HydrophobicContact SD-CB 4.06Å
728	V	94.3	Very high	81	Confident	43 Å²	43	72.6 Å²	72.6	26%	0.261	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.8	-178.9	-62.7	0	0	0	0	110.9	L710 T711 R713 E726 G730	L710-V728 WeakPolarHBondContact CA-O 3.48Å; T711-V728 HydrophobicContact CG2-CG2 3.79Å; T711-V728 PolarHBondContact N-O 2.89Å; T711-V728 WeakPolarHBondContact O-CG2 3.37Å; T711-V728 PolarHBondContact O-N 3.04Å; R713-V728 HydrophobicContact CB-CG1 4.24Å; R713-V728 HydrophobicContact CB-CG2 4.16Å; E726-V728 HydrophobicContact CG-CG1 4.02Å; V728-G730 PolarHBondContact O-N 2.83Å
729	N	92.2	Very high	81.1	Confident	127 Å²	127	66.1 Å²	66.1	68%	0.679	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	132.7	172.5	-73.5	-36.2	0	0	0	110	Q708 L710	Q708-N729 PolarHBondContact NE2-OD1 3.13Å; L710-N729 WeakPolarHBondContact CD2-OD1 3.4Å
730	G	86.4	Confident	81.5	Confident	28 Å²	28	65.7 Å²	65.7	29%	0.289	35%	0.348	S	S	.	.	S	Bend	trans	140.5	-174.5	175.6	0	0	0	0	0	113.4	Y709 L710 V728	Y709-G730 CarbonylContact C-O 3.58Å; Y709-G730 PolarHBondContact O-N 2.79Å; L710-G730 CarbonylContact C-O 3.59Å; V728-G730 PolarHBondContact O-N 2.83Å
731	L	79.7	Confident	81.9	Confident	53 Å²	53	60.1 Å²	60.1	28%	0.277	33%	0.332	S	S	.	.			trans	-124.5	121.9	-179.5	-72.5	174.9	0	0	0	109	L697 Y709 L733	L697-L731 HydrophobicContact CB-CD2 4.3Å; L697-L731 HydrophobicContact CD1-CD2 3.68Å; L697-L731 HydrophobicContact CD2-CD2 3.84Å; L697-L731 HydrophobicContact CG-CD2 4.13Å; Y709-L731 HydrophobicContact CD1-CD1 4.09Å; Y709-L731 HydrophobicContact CD1-CD2 3.26Å; Y709-L731 HydrophobicContact CD1-CG 3.94Å; Y709-L731 HydrophobicContact CE1-CD1 4.42Å; Y709-L731 HydrophobicContact CE1-CD2 4.09Å; Y709-L731 HydrophobicContact CG-CD1 4.35Å; Y709-L731 HydrophobicContact CG-CD2 3.81Å; Y709-L731 HydrophobicContact CG-CG 4.09Å; L731-L733 HydrophobicContact CB-CD2 4.43Å; L731-L733 HydrophobicContact CB-CG 4.39Å; L731-L733 PolarHBondContact O-N 3.41Å
732	N	73.8	Confident	82	Confident	24 Å²	24	61.9 Å²	61.9	13%	0.128	34%	0.34	C	S	.	.			trans	-86.9	109.2	164.3	-169.4	-12.6	0	0	0	108.7	T576 H694 T711 R734	T576-N732 PolarHBondContact OG1-N 3.4Å; H694-N732 PolarHBondContact CE1-O 3.04Å; H694-N732 PolarHBondContact ND1-O 3.47Å; T711-N732 HydrophobicContact CG2-CB 4.49Å; T711-N732 WeakPolarHBondContact OG1-CB 3.47Å; N732-R734 PolarHBondContact OD1-N 3.49Å; N732-R734 PolarHBondContact OD1-O 2.96Å
733	L	68.6	Low	81.5	Confident	98 Å²	98	60.2 Å²	60.2	51%	0.513	33%	0.333	S	S	.	.			trans	-94.6	0.4	178.4	-63.2	176.5	0	0	0	112.8	H694 L697 L731	H694-L733 HydrophobicContact CB-CD2 4.01Å; H694-L733 PolarHBondContact NE2-O 2.69Å; L697-L733 HydrophobicContact CD1-CD2 4.17Å; L731-L733 HydrophobicContact CB-CD2 4.43Å; L731-L733 HydrophobicContact CB-CG 4.39Å; L731-L733 PolarHBondContact O-N 3.41Å
734	R	67.5	Low	81.3	Confident	189 Å²	189	65.4 Å²	65.4	71%	0.713	36%	0.358	S	S	*	.			trans	-101.4	123.7	-178.7	-63.5	-174.4	179.2	-176.1	0.4	109.8	N732 E736	N732-R734 PolarHBondContact OD1-N 3.49Å; N732-R734 PolarHBondContact OD1-O 2.96Å; R734-E736 WeakPolarHBondContact CB-OE1 3.34Å
735	S	69.5	Low	80.8	Confident	72 Å²	72	65.5 Å²	65.5	50%	0.503	37%	0.373	S	S	.	.			trans	-83.9	111.4	167.2	170.1	0	0	0	0	109.1	A737	S735-A737 VanDerWaalsContact C-N 3.32Å
736	E	72.1	Confident	80.5	Confident	43 Å²	43	63.5 Å²	63.5	20%	0.201	37%	0.37	C	S	.	.			trans	-89.9	7.7	-177.9	-62	-59.7	157.4	0	0	113.6	V721 R734 I738 S739 T740	V721-E736 HydrophobicContact CG1-CG 4.32Å; V721-E736 HydrophobicContact CG2-CB 3.97Å; V721-E736 HydrophobicContact CG2-CG 3.86Å; R734-E736 WeakPolarHBondContact CB-OE1 3.34Å; E736-I738 VanDerWaalsContact C-N 3.26Å; E736-I738 PolarHBondContact O-N 2.83Å; E736-I738 VanDerWaalsContact O-N 3.15Å; E736-S739 PolarHBondContact O-N 3.36Å; E736-T740 PolarHBondContact O-N 3.49Å; E736-T740 PolarHBondContact O-OG1 3.47Å; E736-T740 VanDerWaalsContact O-OG1 3.04Å
737	A	78.5	Confident	80.2	Confident	63 Å²	63	63.9 Å²	63.9	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-52.7	-40.4	-176.2	0	0	0	0	0	113.8	S735 A741	S735-A737 VanDerWaalsContact C-N 3.32Å; A737-A741 WeakPolarHBondContact O-CB 3.31Å; A737-A741 PolarHBondContact O-N 3.29Å
738	I	81.5	Confident	79.8	Confident	35 Å²	35	69.3 Å²	69.3	18%	0.179	40%	0.401	C	S	.	.	H	α-helix	trans	-72.4	-38.1	178.9	-58.2	169.7	0	0	0	111.1	E736 A741 N742 T751 A754 L755 K758	E736-I738 VanDerWaalsContact C-N 3.26Å; E736-I738 PolarHBondContact O-N 2.83Å; E736-I738 VanDerWaalsContact O-N 3.15Å; I738-A741 WeakPolarHBondContact O-CB 3.42Å; I738-A741 PolarHBondContact O-N 3Å; I738-N742 PolarHBondContact O-N 2.97Å; I738-T751 HydrophobicContact CG2-CG2 4.31Å; I738-A754 HydrophobicContact CD1-CB 3.93Å; I738-A754 HydrophobicContact CG1-CB 4.14Å; I738-A754 HydrophobicContact CG2-CB 4.4Å; I738-L755 HydrophobicContact CB-CD2 4.5Å; I738-L755 HydrophobicContact CD1-CD2 3.87Å; I738-L755 HydrophobicContact CD1-CG 4.25Å; I738-L755 HydrophobicContact CG2-CD2 4.22Å; I738-L755 HydrophobicContact CG2-CG 4.04Å; I738-K758 HydrophobicContact CD1-CB 4.35Å; I738-K758 HydrophobicContact CD1-CD 4.03Å
739	S	76.8	Confident	79.5	Confident	31 Å²	31	74.5 Å²	74.5	22%	0.217	42%	0.42	C	S	.	.	H	α-helix	trans	-65.2	-41.8	174	174.3	0	0	0	0	111.1	G719 E736 N742 A743	G719-S739 PolarHBondContact O-OG 2.9Å; E736-S739 PolarHBondContact O-N 3.36Å; S739-N742 WeakPolarHBondContact O-CB 3.49Å; S739-N742 PolarHBondContact O-N 3.37Å; S739-A743 WeakPolarHBondContact O-CB 3.38Å; S739-A743 PolarHBondContact O-N 3.15Å
740	T	77.3	Confident	79.2	Confident	52 Å²	52	72.1 Å²	72.1	32%	0.319	41%	0.406	S	S	.	.	H	α-helix	trans	-63.3	-41.3	174.3	-49.8	0	0	0	0	111.9	E736 N742 A743 I744	E736-T740 PolarHBondContact O-N 3.49Å; E736-T740 PolarHBondContact O-OG1 3.47Å; E736-T740 VanDerWaalsContact O-OG1 3.04Å; T740-N742 VanDerWaalsContact C-N 3.34Å; T740-N742 PolarHBondContact O-N 2.91Å; T740-A743 WeakPolarHBondContact O-CB 3.47Å; T740-A743 PolarHBondContact O-N 3.29Å; T740-I744 HydrophobicContact CG2-CD1 3.98Å; T740-I744 WeakPolarHBondContact O-CG1 3.42Å; T740-I744 PolarHBondContact O-N 3.37Å; T740-I744 VanDerWaalsContact O-N 3.07Å
741	A	81.4	Confident	79.3	Confident	24 Å²	24	71.3 Å²	71.3	20%	0.198	40%	0.396	C	S	.	.	H	α-helix	trans	-59	-46	174.3	0	0	0	0	0	111.4	A737 I738 A743 I744 G745 L746 T751	A737-A741 WeakPolarHBondContact O-CB 3.31Å; A737-A741 PolarHBondContact O-N 3.29Å; I738-A741 WeakPolarHBondContact O-CB 3.42Å; I738-A741 PolarHBondContact O-N 3Å; A741-A743 VanDerWaalsContact C-N 3.34Å; A741-A743 PolarHBondContact O-N 3.1Å; A741-I744 PolarHBondContact O-N 3.44Å; A741-G745 PolarHBondContact O-N 3.07Å; A741-L746 HydrophobicContact CB-CB 4.46Å; A741-L746 HydrophobicContact CB-CD1 3.85Å; A741-L746 HydrophobicContact CB-CD2 4.48Å; A741-L746 HydrophobicContact CB-CG 4.47Å; A741-L746 WeakPolarHBondContact O-CB 3.44Å; A741-L746 VanDerWaalsContact O-CD1 3.31Å; A741-L746 WeakPolarHBondContact O-CD1 3.42Å; A741-L746 PolarHBondContact O-N 3.24Å; A741-L746 VanDerWaalsContact O-N 3.1Å; A741-T751 HydrophobicContact CB-CG2 4.37Å
742	N	79.6	Confident	79.6	Confident	65 Å²	65	74.5 Å²	74.5	35%	0.348	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-44.4	175.5	-158.1	31.1	0	0	0	111.5	I738 S739 T740 I744 G745 T751	I738-N742 PolarHBondContact O-N 2.97Å; S739-N742 WeakPolarHBondContact O-CB 3.49Å; S739-N742 PolarHBondContact O-N 3.37Å; T740-N742 VanDerWaalsContact C-N 3.34Å; T740-N742 PolarHBondContact O-N 2.91Å; N742-I744 VanDerWaalsContact C-N 3.3Å; N742-I744 PolarHBondContact O-N 3.31Å; N742-G745 PolarHBondContact O-N 3.04Å; N742-T751 HydrophobicContact CB-CG2 4.03Å
743	A	74.7	Confident	80.2	Confident	27 Å²	27	75 Å²	75	22%	0.223	41%	0.409	C	S	.	.	H	α-helix	trans	-62.1	-32.3	-179.7	0	0	0	0	0	114.3	R720 S739 T740 A741 G745	R720-A743 HydrophobicContact CB-CB 3.98Å; R720-A743 HydrophobicContact CG-CB 3.57Å; S739-A743 WeakPolarHBondContact O-CB 3.38Å; S739-A743 PolarHBondContact O-N 3.15Å; T740-A743 WeakPolarHBondContact O-CB 3.47Å; T740-A743 PolarHBondContact O-N 3.29Å; A741-A743 VanDerWaalsContact C-N 3.34Å; A741-A743 PolarHBondContact O-N 3.1Å; A743-G745 VanDerWaalsContact C-N 3.27Å
744	I	81.2	Confident	81.1	Confident	134 Å²	134	71.9 Å²	71.9	69%	0.687	40%	0.398	S	S	*	.	H	α-helix	trans	-80.3	-9.6	178.2	-67.2	169.3	0	0	0	111.7	T740 A741 N742	T740-I744 HydrophobicContact CG2-CD1 3.98Å; T740-I744 WeakPolarHBondContact O-CG1 3.42Å; T740-I744 PolarHBondContact O-N 3.37Å; T740-I744 VanDerWaalsContact O-N 3.07Å; A741-I744 PolarHBondContact O-N 3.44Å; N742-I744 VanDerWaalsContact C-N 3.3Å; N742-I744 PolarHBondContact O-N 3.31Å
745	G	81.9	Confident	81.9	Confident	62 Å²	62	66.8 Å²	66.8	64%	0.639	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	24	176.3	0	0	0	0	0	114.6	A741 N742 A743	A741-G745 PolarHBondContact O-N 3.07Å; N742-G745 PolarHBondContact O-N 3.04Å; A743-G745 VanDerWaalsContact C-N 3.27Å
746	L	84.5	Confident	82.5	Confident	73 Å²	73	65.9 Å²	65.9	38%	0.382	38%	0.378	S	S	.	.			trans	-64	137.8	167.2	-88.4	95.7	0	0	0	110.3	A741 E748 I750 T751	A741-L746 HydrophobicContact CB-CB 4.46Å; A741-L746 HydrophobicContact CB-CD1 3.85Å; A741-L746 HydrophobicContact CB-CD2 4.48Å; A741-L746 HydrophobicContact CB-CG 4.47Å; A741-L746 WeakPolarHBondContact O-CB 3.44Å; A741-L746 VanDerWaalsContact O-CD1 3.31Å; A741-L746 WeakPolarHBondContact O-CD1 3.42Å; A741-L746 PolarHBondContact O-N 3.24Å; A741-L746 VanDerWaalsContact O-N 3.1Å; L746-E748 PolarHBondContact O-N 3.2Å; L746-I750 HydrophobicContact CD2-CG2 4.25Å; L746-T751 HydrophobicContact CB-CG2 4.18Å
747	P	87.8	Confident	83.1	Confident	80 Å²	80	66.6 Å²	66.6	52%	0.519	38%	0.383	S	S	.	.			trans	-51.6	134.6	178	-28	32.4	0	0	0	113.3	K749 I750 T751	P747-K749 VanDerWaalsContact C-N 3.25Å; P747-K749 PolarHBondContact O-N 3.21Å; P747-I750 HydrophobicContact CB-CD1 4.27Å; P747-I750 HydrophobicContact CB-CG1 4.33Å; P747-I750 HydrophobicContact CG-CD1 4.1Å; P747-I750 WeakPolarHBondContact O-CB 3.33Å; P747-I750 PolarHBondContact O-N 3.28Å; P747-T751 PolarHBondContact O-N 3.35Å
748	E	85.8	Confident	83.2	Confident	132 Å²	132	68.1 Å²	68.1	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-54.5	-39.9	-177.7	-70.6	-177.8	161.4	0	0	112.7	L746 I750 T751 E752	L746-E748 PolarHBondContact O-N 3.2Å; E748-I750 PolarHBondContact O-N 2.86Å; E748-T751 WeakPolarHBondContact CA-OG1 3.46Å; E748-T751 PolarHBondContact O-N 3.47Å; E748-T751 PolarHBondContact O-OG1 3.19Å; E748-E752 WeakPolarHBondContact O-CB 3.27Å; E748-E752 WeakPolarHBondContact O-CG 3.28Å; E748-E752 PolarHBondContact O-N 3.08Å
749	K	87.9	Confident	82.9	Confident	153 Å²	153	71.4 Å²	71.4	67%	0.665	40%	0.396	S	S	*	.	H	α-helix	trans	-53.1	-33.8	175.3	-67.4	-174.4	176.6	-175.8	0	113.2	P747 R753	P747-K749 VanDerWaalsContact C-N 3.25Å; P747-K749 PolarHBondContact O-N 3.21Å; K749-R753 VanDerWaalsContact O-CB 3.27Å; K749-R753 WeakPolarHBondContact O-CB 3.16Å; K749-R753 PolarHBondContact O-N 3.49Å
750	I	87.7	Confident	82.9	Confident	77 Å²	77	71.9 Å²	71.9	40%	0.395	39%	0.394	S	S	.	.	H	α-helix	trans	-77.3	-43.3	178.7	-61.7	177.4	0	0	0	110.5	L746 P747 E748 R753 A754	L746-I750 HydrophobicContact CD2-CG2 4.25Å; P747-I750 HydrophobicContact CB-CD1 4.27Å; P747-I750 HydrophobicContact CB-CG1 4.33Å; P747-I750 HydrophobicContact CG-CD1 4.1Å; P747-I750 WeakPolarHBondContact O-CB 3.33Å; P747-I750 PolarHBondContact O-N 3.28Å; E748-I750 PolarHBondContact O-N 2.86Å; I750-R753 PolarHBondContact O-N 3.24Å; I750-A754 WeakPolarHBondContact O-CB 3.4Å; I750-A754 PolarHBondContact O-N 3.46Å
751	T	86.8	Confident	82.7	Confident	10 Å²	10	74 Å²	74	6%	0.061	40%	0.403	C	S	.	.	H	α-helix	trans	-71.5	-38.8	-177.8	56.4	0	0	0	0	111.6	I738 A741 N742 L746 P747 E748 A754 L755	I738-T751 HydrophobicContact CG2-CG2 4.31Å; A741-T751 HydrophobicContact CB-CG2 4.37Å; N742-T751 HydrophobicContact CB-CG2 4.03Å; L746-T751 HydrophobicContact CB-CG2 4.18Å; P747-T751 PolarHBondContact O-N 3.35Å; E748-T751 WeakPolarHBondContact CA-OG1 3.46Å; E748-T751 PolarHBondContact O-N 3.47Å; E748-T751 PolarHBondContact O-OG1 3.19Å; T751-A754 WeakPolarHBondContact O-CB 3.28Å; T751-A754 PolarHBondContact O-N 3.31Å; T751-L755 WeakPolarHBondContact O-CG 3.36Å; T751-L755 PolarHBondContact O-N 3.27Å
752	E	86	Confident	82	Confident	120 Å²	120	77.2 Å²	77.2	56%	0.561	42%	0.424	S	S	*	.	H	α-helix	trans	-59.4	-48.2	170.2	-72.4	179.4	162.9	0	0	111.5	E748 A754 L755 S756	E748-E752 WeakPolarHBondContact O-CB 3.27Å; E748-E752 WeakPolarHBondContact O-CG 3.28Å; E748-E752 PolarHBondContact O-N 3.08Å; E752-A754 VanDerWaalsContact C-N 3.28Å; E752-A754 PolarHBondContact O-N 3.03Å; E752-L755 WeakPolarHBondContact O-CB 3.39Å; E752-L755 PolarHBondContact O-N 2.97Å; E752-L755 VanDerWaalsContact O-N 3.17Å; E752-S756 PolarHBondContact O-N 2.78Å
753	R	87.6	Confident	81.3	Confident	34 Å²	34	79 Å²	79	13%	0.128	44%	0.437	C	S	.	.	H	α-helix	trans	-60.7	-40.3	175.3	-178.1	53.9	170	-175.1	-13.9	111.5	K749 I750 L755 S756 L757 I798 F799	K749-R753 VanDerWaalsContact O-CB 3.27Å; K749-R753 WeakPolarHBondContact O-CB 3.16Å; K749-R753 PolarHBondContact O-N 3.49Å; I750-R753 PolarHBondContact O-N 3.24Å; R753-L755 VanDerWaalsContact C-N 3.34Å; R753-L755 PolarHBondContact O-N 3.49Å; R753-S756 PolarHBondContact O-N 2.81Å; R753-L757 HydrophobicContact CG-CD1 4.06Å; R753-L757 HydrophobicContact CG-CG 4.45Å; R753-L757 WeakPolarHBondContact O-CB 3.46Å; R753-L757 VanDerWaalsContact O-CG 3.3Å; R753-L757 WeakPolarHBondContact O-CG 3.44Å; R753-L757 PolarHBondContact O-N 2.68Å; R753-I798 PolarHBondContact NH2-O 3.41Å; R753-I798 VanDerWaalsContact NH2-O 3.16Å; R753-F799 HydrophobicContact CB-CD1 4.1Å; R753-F799 HydrophobicContact CB-CE1 3.99Å; R753-F799 HydrophobicContact CG-CD1 4.15Å; R753-F799 HydrophobicContact CG-CE1 4.05Å
754	A	86.1	Confident	80.3	Confident	33 Å²	33	79.1 Å²	79.1	27%	0.273	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-37.2	176.9	0	0	0	0	0	112.4	I738 I750 T751 E752 K758	I738-A754 HydrophobicContact CD1-CB 3.93Å; I738-A754 HydrophobicContact CG1-CB 4.14Å; I738-A754 HydrophobicContact CG2-CB 4.4Å; I750-A754 WeakPolarHBondContact O-CB 3.4Å; I750-A754 PolarHBondContact O-N 3.46Å; T751-A754 WeakPolarHBondContact O-CB 3.28Å; T751-A754 PolarHBondContact O-N 3.31Å; E752-A754 VanDerWaalsContact C-N 3.28Å; E752-A754 PolarHBondContact O-N 3.03Å; A754-K758 VanDerWaalsContact O-CB 3.28Å; A754-K758 WeakPolarHBondContact O-CB 3.44Å; A754-K758 PolarHBondContact O-N 3.09Å
755	L	85.4	Confident	78.9	Confident	82 Å²	82	76.4 Å²	76.4	43%	0.429	43%	0.425	S	S	.	.	H	α-helix	trans	-64.7	-49.6	174.1	-73	168.8	0	0	0	111.3	I738 T751 E752 R753 L757 K758 D759	I738-L755 HydrophobicContact CB-CD2 4.5Å; I738-L755 HydrophobicContact CD1-CD2 3.87Å; I738-L755 HydrophobicContact CD1-CG 4.25Å; I738-L755 HydrophobicContact CG2-CD2 4.22Å; I738-L755 HydrophobicContact CG2-CG 4.04Å; T751-L755 WeakPolarHBondContact O-CG 3.36Å; T751-L755 PolarHBondContact O-N 3.27Å; E752-L755 WeakPolarHBondContact O-CB 3.39Å; E752-L755 PolarHBondContact O-N 2.97Å; E752-L755 VanDerWaalsContact O-N 3.17Å; R753-L755 VanDerWaalsContact C-N 3.34Å; R753-L755 PolarHBondContact O-N 3.49Å; L755-L757 VanDerWaalsContact C-N 3.3Å; L755-L757 PolarHBondContact O-N 3.38Å; L755-K758 WeakPolarHBondContact O-CB 3.39Å; L755-K758 PolarHBondContact O-N 3.1Å; L755-K758 VanDerWaalsContact O-N 3.1Å; L755-D759 PolarHBondContact O-N 2.86Å; L755-D759 VanDerWaalsContact O-N 3.09Å
756	S	82.9	Confident	77.5	Confident	54 Å²	54	77.6 Å²	77.6	38%	0.378	42%	0.42	S	S	.	.	H	α-helix	trans	-55.3	-45.3	175.1	170.5	0	0	0	0	111.9	E752 R753 F760	E752-S756 PolarHBondContact O-N 2.78Å; R753-S756 PolarHBondContact O-N 2.81Å; S756-F760 PolarHBondContact O-N 3.49Å; S756-F760 VanDerWaalsContact O-N 3.12Å
757	L	84.5	Confident	75.7	Confident	57 Å²	57	79.3 Å²	79.3	30%	0.298	44%	0.438	S	S	.	.	H	α-helix	trans	-68	-36.2	177.2	-72.9	173.6	0	0	0	112.7	R753 L755 D759 F760 L761	R753-L757 HydrophobicContact CG-CD1 4.06Å; R753-L757 HydrophobicContact CG-CG 4.45Å; R753-L757 WeakPolarHBondContact O-CB 3.46Å; R753-L757 VanDerWaalsContact O-CG 3.3Å; R753-L757 WeakPolarHBondContact O-CG 3.44Å; R753-L757 PolarHBondContact O-N 2.68Å; L755-L757 VanDerWaalsContact C-N 3.3Å; L755-L757 PolarHBondContact O-N 3.38Å; L757-D759 VanDerWaalsContact C-N 3.35Å; L757-F760 PolarHBondContact O-N 3.39Å; L757-L761 VanDerWaalsContact O-CB 3.28Å; L757-L761 WeakPolarHBondContact O-CB 3.37Å; L757-L761 WeakPolarHBondContact O-CG 3.49Å; L757-L761 PolarHBondContact O-N 2.93Å
758	K	80.3	Confident	73.6	Confident	96 Å²	96	84.5 Å²	84.5	42%	0.417	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-46.2	177.2	175.8	-171.5	171	-169.3	0	110.8	I738 A754 L755 L761 S762	I738-K758 HydrophobicContact CD1-CB 4.35Å; I738-K758 HydrophobicContact CD1-CD 4.03Å; A754-K758 VanDerWaalsContact O-CB 3.28Å; A754-K758 WeakPolarHBondContact O-CB 3.44Å; A754-K758 PolarHBondContact O-N 3.09Å; L755-K758 WeakPolarHBondContact O-CB 3.39Å; L755-K758 PolarHBondContact O-N 3.1Å; L755-K758 VanDerWaalsContact O-N 3.1Å; K758-L761 PolarHBondContact O-N 2.97Å; K758-S762 WeakPolarHBondContact O-CB 3.49Å; K758-S762 PolarHBondContact O-N 2.79Å
759	D	75	Confident	71.7	Confident	104 Å²	104	82 Å²	82	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-64.3	-45.1	178.8	-66.3	-19.5	0	0	0	110.4	L755 L757 L761 S762 T763	L755-D759 PolarHBondContact O-N 2.86Å; L755-D759 VanDerWaalsContact O-N 3.09Å; L757-D759 VanDerWaalsContact C-N 3.35Å; D759-L761 PolarHBondContact O-N 3.43Å; D759-S762 PolarHBondContact O-N 2.88Å; D759-S762 PolarHBondContact O-OG 3.34Å; D759-T763 PolarHBondContact O-N 2.96Å
760	F	76	Confident	69.6	Low	41 Å²	41	84.1 Å²	84.1	18%	0.18	45%	0.446	C	S	.	.	H	α-helix	trans	-59.6	-47.5	173.8	178.7	-103.6	0	0	0	112.9	S756 L757 S762 T763 I764 F803 H804 L807	S756-F760 PolarHBondContact O-N 3.49Å; S756-F760 VanDerWaalsContact O-N 3.12Å; L757-F760 PolarHBondContact O-N 3.39Å; F760-S762 PolarHBondContact O-N 3.09Å; F760-T763 PolarHBondContact O-N 3.01Å; F760-T763 PolarHBondContact O-OG1 3.17Å; F760-I764 HydrophobicContact CD1-CD1 4.15Å; F760-I764 HydrophobicContact CE1-CD1 3.74Å; F760-I764 HydrophobicContact CZ-CD1 4.19Å; F760-F803 HydrophobicContact CE1-CD1 4.11Å; F760-F803 HydrophobicContact CE1-CE1 4.49Å; F760-F803 HydrophobicContact CZ-CD1 4.4Å; F760-H804 AromaticContact CE2-CD2 3.91Å; F760-L807 HydrophobicContact CZ-CD1 4.23Å
761	L	73.3	Confident	67.7	Low	97 Å²	97	87.3 Å²	87.3	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-66.2	-28	-179.5	-71.6	172.6	0	0	0	112.3	L757 K758 D759 T763 I764 M769	L757-L761 VanDerWaalsContact O-CB 3.28Å; L757-L761 WeakPolarHBondContact O-CB 3.37Å; L757-L761 WeakPolarHBondContact O-CG 3.49Å; L757-L761 PolarHBondContact O-N 2.93Å; K758-L761 PolarHBondContact O-N 2.97Å; D759-L761 PolarHBondContact O-N 3.43Å; L761-T763 VanDerWaalsContact C-N 3.31Å; L761-T763 PolarHBondContact O-N 2.96Å; L761-I764 HydrophobicContact CD2-CD1 4.17Å; L761-M769 HydrophobicContact CD2-CE 4.46Å
762	S	68.1	Low	65.8	Low	91 Å²	91	91.1 Å²	91.1	64%	0.636	48%	0.477	S	S	*	.	H	α-helix	trans	-70.3	-24.9	177.8	78.6	0	0	0	0	113.6	K758 D759 F760	K758-S762 WeakPolarHBondContact O-CB 3.49Å; K758-S762 PolarHBondContact O-N 2.79Å; D759-S762 PolarHBondContact O-N 2.88Å; D759-S762 PolarHBondContact O-OG 3.34Å; F760-S762 PolarHBondContact O-N 3.09Å
763	T	63.4	Low	64.1	Low	103 Å²	103	90.4 Å²	90.4	63%	0.632	48%	0.477	S	S	*	.	H	α-helix	trans	-85.5	-11.1	-179.8	59.8	0	0	0	0	113.6	D759 F760 L761 P765	D759-T763 PolarHBondContact O-N 2.96Å; F760-T763 PolarHBondContact O-N 3.01Å; F760-T763 PolarHBondContact O-OG1 3.17Å; L761-T763 VanDerWaalsContact C-N 3.31Å; L761-T763 PolarHBondContact O-N 2.96Å; T763-P765 VanDerWaalsContact O-CD 3.27Å; T763-P765 WeakPolarHBondContact O-CD 3.45Å
764	I	54.8	Low	62.4	Low	29 Å²	29	97 Å²	97	15%	0.149	51%	0.506	C	S	.	.	S	Bend	trans	-82	116.5	-178	-59.6	171.5	0	0	0	110.2	F760 L761 T766 M769	F760-I764 HydrophobicContact CD1-CD1 4.15Å; F760-I764 HydrophobicContact CE1-CD1 3.74Å; F760-I764 HydrophobicContact CZ-CD1 4.19Å; L761-I764 HydrophobicContact CD2-CD1 4.17Å; I764-T766 PolarHBondContact O-N 3.3Å; I764-M769 HydrophobicContact CG2-CE 4.46Å; I764-M769 HydrophobicContact CG2-CG 4.26Å
765	P	51.9	Low	60.8	Low	76 Å²	76	101.5 Å²	101.5	49%	0.494	52%	0.516	S	S	.	.			trans	-62.5	127.4	170.7	-17.6	31.4	0	0	0	109.5	T763 S767 R768	T763-P765 VanDerWaalsContact O-CD 3.27Å; T763-P765 WeakPolarHBondContact O-CD 3.45Å; P765-S767 PolarHBondContact O-N 3.48Å; P765-R768 PolarHBondContact O-N 2.9Å
766	T	52	Low	59.2	Low	87 Å²	87	100.2 Å²	100.2	53%	0.534	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-58.3	-18.9	-174.5	7.9	0	0	0	0	113.2	L665 I764 R768	L665-T766 HydrophobicContact CD1-CG2 4.5Å; I764-T766 PolarHBondContact O-N 3.3Å; T766-R768 VanDerWaalsContact C-N 3.32Å; T766-R768 PolarHBondContact O-N 3.2Å
767	S	46.1	Very low	57.7	Low	109 Å²	109	104.9 Å²	104.9	76%	0.762	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-69.1	-18.9	175.8	55.6	0	0	0	0	114.9	P765	P765-S767 PolarHBondContact O-N 3.48Å
768	R	45.2	Very low	56.3	Low	189 Å²	189	106 Å²	106	71%	0.713	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-96.9	-2.9	-177.6	-75.8	-173.8	171.6	179.1	-1.9	115.4	P765 T766 K770	P765-R768 PolarHBondContact O-N 2.9Å; T766-R768 VanDerWaalsContact C-N 3.32Å; T766-R768 PolarHBondContact O-N 3.2Å; R768-K770 PolarHBondContact O-N 3.23Å
769	M	45.1	Very low	54.9	Low	80 Å²	80	102.1 Å²	102.1	39%	0.394	52%	0.519	S	S	.	.	H	α-helix	trans	-72.6	-26.6	-172.4	-81.6	-171.4	150.8	0	0	115.2	L761 I764 N771 R772 N773	L761-M769 HydrophobicContact CD2-CE 4.46Å; I764-M769 HydrophobicContact CG2-CE 4.46Å; I764-M769 HydrophobicContact CG2-CG 4.26Å; M769-N771 PolarHBondContact O-N 3.12Å; M769-R772 PolarHBondContact O-N 2.91Å; M769-N773 PolarHBondContact O-N 2.84Å
770	K	44.2	Very low	53.7	Low	198 Å²	198	101 Å²	101	86%	0.861	51%	0.513	S	S	*	.	H	α-helix	trans	-63.9	-34.3	-177.6	-80.2	-175.3	175.7	179.9	0	113.8	R768	R768-K770 PolarHBondContact O-N 3.23Å
771	N	47.5	Very low	52.5	Low	144 Å²	144	107 Å²	107	77%	0.77	54%	0.539	S	S	*	.	H	α-helix	trans	-84.4	-25.2	177.4	-76	-9.8	0	0	0	113.1	M769	M769-N771 PolarHBondContact O-N 3.12Å
772	R	46.5	Very low	51.4	Low	89 Å²	89	107.7 Å²	107.7	34%	0.336	54%	0.542	S	S	.	.	H	α-helix	trans	-78.3	-24.7	177.7	-96.9	-178.8	168.9	179.6	-3.1	113.7	M769 K774 R775 V776	M769-R772 PolarHBondContact O-N 2.91Å; R772-K774 PolarHBondContact O-N 2.99Å; R772-R775 CarbonylContact O-C 3.56Å; R772-R775 WeakPolarHBondContact O-CA 3.31Å; R772-R775 WeakPolarHBondContact O-CB 3.37Å; R772-R775 PolarHBondContact O-N 3.43Å; R772-V776 WeakPolarHBondContact O-CG2 3.47Å; R772-V776 PolarHBondContact O-N 3.06Å
773	N	50.5	Low	50.3	Low	106 Å²	106	106.3 Å²	106.3	57%	0.567	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-25.9	175.7	-89	-11.8	0	0	0	113.9	M769 K777	M769-N773 PolarHBondContact O-N 2.84Å; N773-K777 WeakPolarHBondContact O-CB 3.42Å; N773-K777 WeakPolarHBondContact O-CG 3.38Å; N773-K777 PolarHBondContact O-N 3.41Å; N773-K777 VanDerWaalsContact O-N 3.08Å
774	K	52.2	Low	49.5	Very low	171 Å²	171	108.7 Å²	108.7	74%	0.743	53%	0.531	S	S	*	.	H	α-helix	trans	-68.6	-46.7	168.4	-105.4	-178.7	176	-179.4	0	111.3	R772 K777 T778	R772-K774 PolarHBondContact O-N 2.99Å; K774-K777 WeakPolarHBondContact O-CB 3.34Å; K774-K777 PolarHBondContact O-N 3.38Å; K774-T778 PolarHBondContact O-N 2.87Å; K774-T778 PolarHBondContact O-OG1 3.23Å
775	R	51.4	Low	48.7	Very low	128 Å²	128	110.2 Å²	110.2	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-42.2	178.3	-71.9	-177.4	168.8	-157.9	-7.6	112.4	R772 T778 V779 D811	R772-R775 CarbonylContact O-C 3.56Å; R772-R775 WeakPolarHBondContact O-CA 3.31Å; R772-R775 WeakPolarHBondContact O-CB 3.37Å; R772-R775 PolarHBondContact O-N 3.43Å; R775-T778 WeakPolarHBondContact O-CA 3.3Å; R775-T778 WeakPolarHBondContact O-CB 3.4Å; R775-T778 PolarHBondContact O-N 3.26Å; R775-T778 VanDerWaalsContact O-N 3.09Å; R775-V779 WeakPolarHBondContact O-CG2 3.49Å; R775-V779 PolarHBondContact O-N 2.84Å; R775-D811 IonicContact CZ-OD1 2.67Å; R775-D811 VanDerWaalsContact CZ-OD1 3.28Å; R775-D811 IonicContact NH1-OD1 2.75Å; R775-D811 PolarHBondContact NH1-OD1 3.03Å; R775-D811 IonicContact NH1-OD2 3.49Å; R775-D811 IonicContact NH2-OD1 2.76Å; R775-D811 PolarHBondContact NH2-OD1 3.37Å
776	V	51.9	Low	47.9	Very low	56 Å²	56	113.1 Å²	113.1	34%	0.339	57%	0.57	S	S	.	*	H	α-helix	trans	-66	-37.7	174.9	176.5	0	0	0	0	111.1	R772 T778 V779 L780	R772-V776 WeakPolarHBondContact O-CG2 3.47Å; R772-V776 PolarHBondContact O-N 3.06Å; V776-T778 VanDerWaalsContact C-N 3.32Å; V776-T778 PolarHBondContact O-N 2.91Å; V776-V779 PolarHBondContact O-N 2.94Å; V776-L780 HydrophobicContact CG1-CD1 3.97Å; V776-L780 HydrophobicContact CG1-CG 4.42Å; V776-L780 WeakPolarHBondContact O-CB 3.2Å; V776-L780 VanDerWaalsContact O-CG 3.31Å; V776-L780 WeakPolarHBondContact O-CG 3.47Å; V776-L780 PolarHBondContact O-N 2.88Å
777	K	51.9	Low	47	Very low	152 Å²	152	116.4 Å²	116.4	66%	0.661	59%	0.585	S	S	*	*	H	α-helix	trans	-62.4	-36.3	169.2	-90	-176.8	172.5	-178	0	112.6	N773 K774 K781	N773-K777 WeakPolarHBondContact O-CB 3.42Å; N773-K777 WeakPolarHBondContact O-CG 3.38Å; N773-K777 PolarHBondContact O-N 3.41Å; N773-K777 VanDerWaalsContact O-N 3.08Å; K774-K777 WeakPolarHBondContact O-CB 3.34Å; K774-K777 PolarHBondContact O-N 3.38Å; K777-K781 WeakPolarHBondContact O-CB 3.27Å; K777-K781 WeakPolarHBondContact O-CG 3.38Å; K777-K781 PolarHBondContact O-N 3.19Å
778	T	54.6	Low	46.4	Very low	80 Å²	80	118.2 Å²	118.2	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-67.7	-43.2	174.8	-52.6	0	0	0	0	111.5	K774 R775 V776 K781 L782	K774-T778 PolarHBondContact O-N 2.87Å; K774-T778 PolarHBondContact O-OG1 3.23Å; R775-T778 WeakPolarHBondContact O-CA 3.3Å; R775-T778 WeakPolarHBondContact O-CB 3.4Å; R775-T778 PolarHBondContact O-N 3.26Å; R775-T778 VanDerWaalsContact O-N 3.09Å; V776-T778 VanDerWaalsContact C-N 3.32Å; V776-T778 PolarHBondContact O-N 2.91Å; T778-K781 PolarHBondContact O-N 2.89Å; T778-L782 HydrophobicContact CG2-CD1 4.25Å; T778-L782 WeakPolarHBondContact O-CG 3.34Å; T778-L782 PolarHBondContact O-N 3.36Å
779	V	51.9	Low	45.7	Very low	14 Å²	14	112.6 Å²	112.6	9%	0.085	59%	0.593	C	S	.	*	H	α-helix	trans	-62.8	-43.3	174.4	174.2	0	0	0	0	111.1	R775 V776 K781 L782 L783 L810	R775-V779 WeakPolarHBondContact O-CG2 3.49Å; R775-V779 PolarHBondContact O-N 2.84Å; V776-V779 PolarHBondContact O-N 2.94Å; V779-K781 PolarHBondContact O-N 3.27Å; V779-L782 PolarHBondContact O-N 3.49Å; V779-L783 HydrophobicContact CG1-CD1 3.87Å; V779-L783 HydrophobicContact CG1-CG 4.46Å; V779-L783 WeakPolarHBondContact O-CB 3.4Å; V779-L783 WeakPolarHBondContact O-CG 3.41Å; V779-L783 PolarHBondContact O-N 3.26Å; V779-L810 HydrophobicContact CG2-CD1 3.63Å
780	L	48.7	Very low	45.1	Very low	82 Å²	82	115.1 Å²	115.1	43%	0.429	62%	0.618	S	S	.	*	H	α-helix	trans	-67.1	-33.8	175.5	-73.2	168.1	0	0	0	112.8	V776 L783 H784	V776-L780 HydrophobicContact CG1-CD1 3.97Å; V776-L780 HydrophobicContact CG1-CG 4.42Å; V776-L780 WeakPolarHBondContact O-CB 3.2Å; V776-L780 VanDerWaalsContact O-CG 3.31Å; V776-L780 WeakPolarHBondContact O-CG 3.47Å; V776-L780 PolarHBondContact O-N 2.88Å; L780-L783 HydrophobicContact CD2-CD1 4.41Å; L780-L783 PolarHBondContact O-N 2.93Å; L780-H784 WeakPolarHBondContact O-CB 3.43Å; L780-H784 PolarHBondContact O-CD2 3.36Å; L780-H784 VanDerWaalsContact O-CD2 3.23Å; L780-H784 PolarHBondContact O-N 3.06Å
781	K	52	Low	44.9	Very low	167 Å²	167	109 Å²	109	73%	0.726	61%	0.611	S	S	*	*	H	α-helix	trans	-66.9	-38.2	171.9	-82.8	-175.1	174.7	-167.4	0	112.3	K777 T778 V779 L783 H784 G785	K777-K781 WeakPolarHBondContact O-CB 3.27Å; K777-K781 WeakPolarHBondContact O-CG 3.38Å; K777-K781 PolarHBondContact O-N 3.19Å; T778-K781 PolarHBondContact O-N 2.89Å; V779-K781 PolarHBondContact O-N 3.27Å; K781-L783 VanDerWaalsContact C-N 3.32Å; K781-H784 PolarHBondContact O-N 3.5Å; K781-G785 PolarHBondContact O-N 3.47Å
782	L	50.3	Low	44.4	Very low	111 Å²	111	105.7 Å²	105.7	58%	0.581	61%	0.611	S	S	*	*	H	α-helix	trans	-67.9	-32.2	173.6	-74.9	160.7	0	0	0	112	T778 V779	T778-L782 HydrophobicContact CG2-CD1 4.25Å; T778-L782 WeakPolarHBondContact O-CG 3.34Å; T778-L782 PolarHBondContact O-N 3.36Å; V779-L782 PolarHBondContact O-N 3.49Å
783	L	44	Very low	44.4	Very low	62 Å²	62	104.9 Å²	104.9	33%	0.325	61%	0.613	S	S	.	*	H	α-helix	trans	-78.2	-22.5	177.5	-72.9	168.8	0	0	0	114.3	V779 L780 K781 I793 I798	V779-L783 HydrophobicContact CG1-CD1 3.87Å; V779-L783 HydrophobicContact CG1-CG 4.46Å; V779-L783 WeakPolarHBondContact O-CB 3.4Å; V779-L783 WeakPolarHBondContact O-CG 3.41Å; V779-L783 PolarHBondContact O-N 3.26Å; L780-L783 HydrophobicContact CD2-CD1 4.41Å; L780-L783 PolarHBondContact O-N 2.93Å; K781-L783 VanDerWaalsContact C-N 3.32Å; L783-I793 HydrophobicContact CD2-CB 4.43Å; L783-I793 HydrophobicContact CD2-CG2 4.42Å; L783-I798 HydrophobicContact CD2-CD1 3.43Å; L783-I798 VanDerWaalsContact CD2-CD1 3.43Å; L783-I798 HydrophobicContact CD2-CG1 4.03Å
784	H	45.9	Very low	44.4	Very low	152 Å²	152	103.7 Å²	103.7	70%	0.704	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	9.5	-178.3	-75.6	-58.8	0	0	0	114.9	L780 K781	L780-H784 WeakPolarHBondContact O-CB 3.43Å; L780-H784 PolarHBondContact O-CD2 3.36Å; L780-H784 VanDerWaalsContact O-CD2 3.23Å; L780-H784 PolarHBondContact O-N 3.06Å; K781-H784 PolarHBondContact O-N 3.5Å
785	G	39.8	Very low	44.1	Very low	61 Å²	61	101.6 Å²	101.6	63%	0.629	61%	0.605	S	S	*	*			trans	31.5	87.3	163.4	0	0	0	0	0	117.3	K781	K781-G785 PolarHBondContact O-N 3.47Å
786	T	34.1	Very low	43.9	Very low	138 Å²	138	100.5 Å²	100.5	85%	0.847	61%	0.609	S	S	*	*			trans	-93.4	112.4	146.2	50.6	0	0	0	0	107.3
787	D	33	Very low	43.8	Very low	156 Å²	156	104 Å²	104	83%	0.834	62%	0.62	S	S	*	*	S	Bend	trans	3.8	116.1	169.2	-78.9	-41.2	0	0	0	118.2
788	T	34.1	Very low	43.7	Very low	146 Å²	146	99.1 Å²	99.1	90%	0.896	60%	0.6	S	S	*	*			trans	172.4	113.1	130.3	32.9	0	0	0	0	110.8
789	G	30.6	Very low	43.4	Very low	72 Å²	72	99.4 Å²	99.4	74%	0.742	60%	0.595	S	S	*	*	S	Bend	trans	79.7	101.2	156.5	0	0	0	0	0	118.1
790	S	31.8	Very low	43.5	Very low	132 Å²	132	105.3 Å²	105.3	92%	0.923	63%	0.626	S	S	*	*	S	Bend	trans	42.5	87.9	149.3	61.3	0	0	0	0	118.5
791	G	39.6	Very low	43.8	Very low	70 Å²	70	102.6 Å²	102.6	72%	0.722	61%	0.614	S	S	*	*			trans	154	49.7	163.8	0	0	0	0	0	116.7	I793	G791-I793 PolarHBondContact O-N 3.15Å
792	G	36.9	Very low	43.9	Very low	74 Å²	74	99.3 Å²	99.3	76%	0.763	60%	0.604	S	S	*	*			trans	-64.9	120.2	176.8	0	0	0	0	0	112.3	T794	G792-T794 PolarHBondContact O-N 3.15Å
793	I	46.8	Very low	44.1	Very low	73 Å²	73	96.7 Å²	96.7	37%	0.374	59%	0.588	S	S	.	*			trans	-77.1	111.1	171.1	-58.5	173.4	0	0	0	107.5	L783 G791 K797 I798	L783-I793 HydrophobicContact CD2-CB 4.43Å; L783-I793 HydrophobicContact CD2-CG2 4.42Å; G791-I793 PolarHBondContact O-N 3.15Å; I793-K797 HydrophobicContact CG2-CB 3.77Å; I793-I798 HydrophobicContact CG2-CD1 4.49Å; I793-I798 HydrophobicContact CG2-CG1 3.8Å
794	T	51.6	Low	44.4	Very low	81 Å²	81	98 Å²	98	50%	0.497	59%	0.592	S	S	.	*			trans	-66.7	150	174.2	40.6	0	0	0	0	111.2	G792 D796 K797 I798	G792-T794 PolarHBondContact O-N 3.15Å; T794-D796 PolarHBondContact O-N 3.07Å; T794-D796 VanDerWaalsContact O-N 3.11Å; T794-K797 WeakPolarHBondContact O-CB 3.47Å; T794-K797 PolarHBondContact O-N 3.46Å; T794-I798 PolarHBondContact O-N 3.16Å
795	L	45	Very low	44.8	Very low	126 Å²	126	96.2 Å²	96.2	66%	0.66	59%	0.585	S	S	*	*	H	α-helix	trans	-49.2	-37.5	172.5	-84.9	159.9	0	0	0	111.5	K797 I798 F799	L795-K797 VanDerWaalsContact C-N 3.35Å; L795-K797 PolarHBondContact O-N 3.15Å; L795-I798 HydrophobicContact CD2-CD1 4.46Å; L795-I798 WeakPolarHBondContact O-CB 3.42Å; L795-I798 PolarHBondContact O-N 3.32Å; L795-F799 HydrophobicContact CD2-CE2 4.38Å; L795-F799 WeakPolarHBondContact O-CD2 3.34Å; L795-F799 PolarHBondContact O-N 2.8Å; L795-F799 VanDerWaalsContact O-N 3.15Å
796	D	48	Very low	45.6	Very low	105 Å²	105	95 Å²	95	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-60.2	-37.7	174.9	-73.3	-32.4	0	0	0	113.6	T794 I798 F799 N800	T794-D796 PolarHBondContact O-N 3.07Å; T794-D796 VanDerWaalsContact O-N 3.11Å; D796-I798 VanDerWaalsContact C-N 3.3Å; D796-I798 PolarHBondContact O-N 3.18Å; D796-F799 PolarHBondContact O-N 3.25Å; D796-N800 VanDerWaalsContact O-CB 3.23Å; D796-N800 WeakPolarHBondContact O-CB 3.46Å; D796-N800 VanDerWaalsContact O-CG 3.25Å; D796-N800 PolarHBondContact O-N 3Å; D796-N800 PolarHBondContact O-ND2 3.14Å
797	K	50	Low	46.5	Very low	130 Å²	130	89.7 Å²	89.7	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-31.6	174.2	-83.6	-175.2	175.4	-178.5	0	112.1	I793 T794 L795 S801	I793-K797 HydrophobicContact CG2-CB 3.77Å; T794-K797 WeakPolarHBondContact O-CB 3.47Å; T794-K797 PolarHBondContact O-N 3.46Å; L795-K797 VanDerWaalsContact C-N 3.35Å; L795-K797 PolarHBondContact O-N 3.15Å; K797-S801 VanDerWaalsContact O-CB 3.28Å; K797-S801 WeakPolarHBondContact O-CB 3.23Å; K797-S801 PolarHBondContact O-N 3.26Å; K797-S801 VanDerWaalsContact O-N 3.16Å; K797-S801 PolarHBondContact O-OG 3.36Å
798	I	50.1	Low	47.5	Very low	49 Å²	49	87.8 Å²	87.8	25%	0.251	52%	0.516	S	S	.	.	H	α-helix	trans	-72.1	-36	179.8	-57.6	171.5	0	0	0	111.4	R753 L783 I793 T794 L795 D796	R753-I798 PolarHBondContact NH2-O 3.41Å; R753-I798 VanDerWaalsContact NH2-O 3.16Å; L783-I798 HydrophobicContact CD2-CD1 3.43Å; L783-I798 VanDerWaalsContact CD2-CD1 3.43Å; L783-I798 HydrophobicContact CD2-CG1 4.03Å; I793-I798 HydrophobicContact CG2-CD1 4.49Å; I793-I798 HydrophobicContact CG2-CG1 3.8Å; T794-I798 PolarHBondContact O-N 3.16Å; L795-I798 HydrophobicContact CD2-CD1 4.46Å; L795-I798 WeakPolarHBondContact O-CB 3.42Å; L795-I798 PolarHBondContact O-N 3.32Å; D796-I798 VanDerWaalsContact C-N 3.3Å; D796-I798 PolarHBondContact O-N 3.18Å
799	F	47.8	Very low	48.4	Very low	86 Å²	86	85.1 Å²	85.1	38%	0.377	50%	0.503	S	S	.	.	H	α-helix	trans	-81.2	-29.3	177.6	-80.1	-81.4	0	0	0	112.9	R753 L795 D796	R753-F799 HydrophobicContact CB-CD1 4.1Å; R753-F799 HydrophobicContact CB-CE1 3.99Å; R753-F799 HydrophobicContact CG-CD1 4.15Å; R753-F799 HydrophobicContact CG-CE1 4.05Å; L795-F799 HydrophobicContact CD2-CE2 4.38Å; L795-F799 WeakPolarHBondContact O-CD2 3.34Å; L795-F799 PolarHBondContact O-N 2.8Å; L795-F799 VanDerWaalsContact O-N 3.15Å; D796-F799 PolarHBondContact O-N 3.25Å
800	N	53.1	Low	49.4	Very low	138 Å²	138	86.1 Å²	86.1	74%	0.738	49%	0.491	S	S	*	.	H	α-helix	trans	-97	-5.8	-175.7	-66.2	-23.9	0	0	0	115.4	D796	D796-N800 VanDerWaalsContact O-CB 3.23Å; D796-N800 WeakPolarHBondContact O-CB 3.46Å; D796-N800 VanDerWaalsContact O-CG 3.25Å; D796-N800 PolarHBondContact O-N 3Å; D796-N800 PolarHBondContact O-ND2 3.14Å
801	S	55.6	Low	49.8	Very low	26 Å²	26	87.3 Å²	87.3	18%	0.182	49%	0.487	C	S	.	.	S	Bend	trans	-98.2	142.6	177.8	53.7	0	0	0	0	112.3	K797 F803 L806	K797-S801 VanDerWaalsContact O-CB 3.28Å; K797-S801 WeakPolarHBondContact O-CB 3.23Å; K797-S801 PolarHBondContact O-N 3.26Å; K797-S801 VanDerWaalsContact O-N 3.16Å; K797-S801 PolarHBondContact O-OG 3.36Å; S801-F803 PolarHBondContact O-N 2.87Å; S801-F803 VanDerWaalsContact O-N 3.14Å; S801-L806 WeakPolarHBondContact OG-CD1 3.44Å
802	N	54.8	Low	50.3	Low	97 Å²	97	88.2 Å²	88.2	52%	0.519	48%	0.475	S	S	.	.			trans	-62.8	116.4	164.2	-112.3	-22.3	0	0	0	107.1	H804 E805 L806	N802-H804 PolarHBondContact O-N 2.88Å; N802-E805 HydrophobicContact CB-CB 4.14Å; N802-E805 HydrophobicContact CB-CG 3.85Å; N802-E805 WeakPolarHBondContact O-CA 3.32Å; N802-E805 WeakPolarHBondContact O-CB 3.47Å; N802-E805 PolarHBondContact O-N 2.62Å; N802-L806 PolarHBondContact O-N 3.45Å
803	F	53.3	Low	51	Low	56 Å²	56	88.9 Å²	88.9	25%	0.246	46%	0.46	C	S	.	.	H	α-helix	trans	-58.6	-22.8	-178.8	-165	-102.4	0	0	0	111.8	F760 S801 L807	F760-F803 HydrophobicContact CE1-CD1 4.11Å; F760-F803 HydrophobicContact CE1-CE1 4.49Å; F760-F803 HydrophobicContact CZ-CD1 4.4Å; S801-F803 PolarHBondContact O-N 2.87Å; S801-F803 VanDerWaalsContact O-N 3.14Å; F803-L807 HydrophobicContact CD1-CD1 3.73Å; F803-L807 HydrophobicContact CD1-CG 4.32Å; F803-L807 HydrophobicContact CE1-CD1 3.64Å; F803-L807 HydrophobicContact CE1-CG 4.16Å; F803-L807 WeakPolarHBondContact O-CB 3.49Å; F803-L807 WeakPolarHBondContact O-CG 3.21Å; F803-L807 PolarHBondContact O-N 3.45Å
804	H	50.4	Low	51.2	Low	89 Å²	89	89.8 Å²	89.8	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-44.8	171.6	-148.8	-51	0	0	0	112.6	F760 N802 L806 L807 E808	F760-H804 AromaticContact CE2-CD2 3.91Å; N802-H804 PolarHBondContact O-N 2.88Å; H804-L806 VanDerWaalsContact C-N 3.31Å; H804-L806 PolarHBondContact O-N 3.27Å; H804-L807 PolarHBondContact O-N 3.49Å; H804-E808 IonicContact CE1-OE1 3.39Å; H804-E808 PolarHBondContact CE1-OE1 3.37Å; H804-E808 IonicContact ND1-OE1 3.65Å; H804-E808 PolarHBondContact ND1-OE1 3.03Å; H804-E808 VanDerWaalsContact ND1-OE1 3.15Å; H804-E808 WeakPolarHBondContact O-CB 3.41Å; H804-E808 WeakPolarHBondContact O-CG 3.28Å; H804-E808 PolarHBondContact O-N 3.07Å
805	E	55.2	Low	51.2	Low	116 Å²	116	90.3 Å²	90.3	54%	0.542	46%	0.463	S	S	.	.	H	α-helix	trans	-65.5	-36.5	174	-70.9	171.7	177.1	0	0	111.2	N802 L807 E808 S809	N802-E805 HydrophobicContact CB-CB 4.14Å; N802-E805 HydrophobicContact CB-CG 3.85Å; N802-E805 WeakPolarHBondContact O-CA 3.32Å; N802-E805 WeakPolarHBondContact O-CB 3.47Å; N802-E805 PolarHBondContact O-N 2.62Å; E805-L807 VanDerWaalsContact C-N 3.29Å; E805-L807 PolarHBondContact O-N 3.16Å; E805-E808 PolarHBondContact O-N 3.35Å; E805-S809 VanDerWaalsContact O-CB 3.29Å; E805-S809 WeakPolarHBondContact O-CB 3.44Å; E805-S809 PolarHBondContact O-N 3.39Å; E805-S809 PolarHBondContact O-OG 2.86Å
806	L	55.2	Low	51.6	Low	35 Å²	35	88.1 Å²	88.1	18%	0.183	45%	0.451	C	S	.	.	H	α-helix	trans	-71.1	-25.5	178	-152.9	134.3	0	0	0	112.6	S801 N802 H804 S809 L810	S801-L806 WeakPolarHBondContact OG-CD1 3.44Å; N802-L806 PolarHBondContact O-N 3.45Å; H804-L806 VanDerWaalsContact C-N 3.31Å; H804-L806 PolarHBondContact O-N 3.27Å; L806-S809 PolarHBondContact O-OG 3.22Å; L806-L810 VanDerWaalsContact O-CD1 3.23Å; L806-L810 WeakPolarHBondContact O-CD1 3.29Å; L806-L810 VanDerWaalsContact O-CG 3.32Å; L806-L810 WeakPolarHBondContact O-CG 3.23Å
807	L	53	Low	51.9	Low	27 Å²	27	86.9 Å²	86.9	14%	0.141	44%	0.443	C	S	.	.	H	α-helix	trans	-83.5	-34.5	171.6	-83	168.7	0	0	0	112.5	F760 F803 H804 E805 L810	F760-L807 HydrophobicContact CZ-CD1 4.23Å; F803-L807 HydrophobicContact CD1-CD1 3.73Å; F803-L807 HydrophobicContact CD1-CG 4.32Å; F803-L807 HydrophobicContact CE1-CD1 3.64Å; F803-L807 HydrophobicContact CE1-CG 4.16Å; F803-L807 WeakPolarHBondContact O-CB 3.49Å; F803-L807 WeakPolarHBondContact O-CG 3.21Å; F803-L807 PolarHBondContact O-N 3.45Å; H804-L807 PolarHBondContact O-N 3.49Å; E805-L807 VanDerWaalsContact C-N 3.29Å; E805-L807 PolarHBondContact O-N 3.16Å; L807-L810 PolarHBondContact O-N 2.99Å
808	E	55.5	Low	52	Low	115 Å²	115	83.9 Å²	83.9	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-73.6	-32.4	175.1	-80.2	176.7	-178.8	0	0	112.3	H804 E805 L810 D811	H804-E808 IonicContact CE1-OE1 3.39Å; H804-E808 PolarHBondContact CE1-OE1 3.37Å; H804-E808 IonicContact ND1-OE1 3.65Å; H804-E808 PolarHBondContact ND1-OE1 3.03Å; H804-E808 VanDerWaalsContact ND1-OE1 3.15Å; H804-E808 WeakPolarHBondContact O-CB 3.41Å; H804-E808 WeakPolarHBondContact O-CG 3.28Å; H804-E808 PolarHBondContact O-N 3.07Å; E805-E808 PolarHBondContact O-N 3.35Å; E808-L810 PolarHBondContact O-N 3.11Å; E808-D811 PolarHBondContact O-N 3.27Å
809	S	53.3	Low	52.1	Low	90 Å²	90	86.5 Å²	86.5	63%	0.629	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.9	173.1	72.5	0	0	0	0	113.6	E805 L806	E805-S809 VanDerWaalsContact O-CB 3.29Å; E805-S809 WeakPolarHBondContact O-CB 3.44Å; E805-S809 PolarHBondContact O-N 3.39Å; E805-S809 PolarHBondContact O-OG 2.86Å; L806-S809 PolarHBondContact O-OG 3.22Å
810	L	50.7	Low	52.5	Low	94 Å²	94	86.6 Å²	86.6	49%	0.492	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-10.6	177.9	-74.9	170.5	0	0	0	113.1	V779 L806 L807 E808	V779-L810 HydrophobicContact CG2-CD1 3.63Å; L806-L810 VanDerWaalsContact O-CD1 3.23Å; L806-L810 WeakPolarHBondContact O-CD1 3.29Å; L806-L810 VanDerWaalsContact O-CG 3.32Å; L806-L810 WeakPolarHBondContact O-CG 3.23Å; L807-L810 PolarHBondContact O-N 2.99Å; E808-L810 PolarHBondContact O-N 3.11Å
811	D	40.1	Very low	52.4	Low	156 Å²	156	81.9 Å²	81.9	83%	0.834	43%	0.429	S	S	*	.			trans	-85.3	0	165	-81.5	-33.5	0	0	0	108.9	R775 E808	R775-D811 IonicContact CZ-OD1 2.67Å; R775-D811 VanDerWaalsContact CZ-OD1 3.28Å; R775-D811 IonicContact NH1-OD1 2.75Å; R775-D811 PolarHBondContact NH1-OD1 3.03Å; R775-D811 IonicContact NH1-OD2 3.49Å; R775-D811 IonicContact NH2-OD1 2.76Å; R775-D811 PolarHBondContact NH2-OD1 3.37Å; E808-D811 PolarHBondContact O-N 3.27Å

Retrieved 811 of 811 residues in 166.8 ms (Link to these results)

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