A0A087X998_POEFO Loading...

G-protein coupled receptor family C group 6 member A

AlphaFold DB , UniProt , Accession A0A087X998, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 837 aa.

						>A0A087X998_POEFO|A0A087X998
KKMKLFFSFWGLLSVLSLQFFCCEPNQEAKSPGDIMIGGLFPIHESVSKTGQCDRYAFVSAELIDVLIRFSVARLAQSLMMVHAVEEINRSGELGNITLGFHIMDSCADVTTALRNTLSFMKMNLLANGTDCQHSPRPPVTAVIGDYYSEISIAVTRHLNLEQIPQISYGATSGLLSDKTRFPSFLRTVPQDDHQAFAIVEILKKNNWTWVGVVATDGEYGRYAVERLRHHAAKNSICFAYINFLPEFLVDVSLNDSIAETVKNITDREKVSVIVSFAKPDHMKSIFNNLLENDKGKHKVWLASDNWSQAADCLDMKTWSLNDVGTVFGITLKSGDTSKFKRFLRNLDEDSDLCQNNPFLSDFLKRSPKASFQSKIEELANMSYPYAAFSIELAVRAIAATVKDLCVDKQCNISTLQPETFRDALKSAKFSMEGKKYSFNDYSDVDSGYDLILWRSSSQNTVDMSYSIGRFDIETKRLYISNVIDQITGVSSKCSTCYPGQMKVTNKGFPVCCYGCRNCSKNEYSNTTDSAQCYKCDENTEYSDEGSSSCKKRLDLFLKWGDPYHITLLAFTSLGAMLTLTVDVIFLARWNTPVVRSSVGPICIVLLFSLLCTFGSVPLFGARPSDEKCRARQVFFGLSFTLSVSCILVKSFKIILAFEFDPVTQDVLKKVYKPPAIIALCMAGQAVVCTVWLSYKAPQKASEPLDEKRLWFCNENSYPAFGAMLAYIGLLAILGFVLAFKGRKLPQCYNDAKFITFSMLIYFIAWIIFGPVYKNVKGEYHPAVEMVVIVISAYAILFCQFLIKCYIILFKQEKNTEAAFRQEVREFSYGSDRDVEG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	54.1	Low	51.2	Low	245 Å²	245	153.7 Å²	153.7	100%	1.065	72%	0.716	S	S	*	*				0	-16.2	0	-106.3	176.3	176.2	178.1	0	115.2
2	K	48.7	Very low	51.2	Low	200 Å²	200	149.8 Å²	149.8	87%	0.87	70%	0.703	S	S	*	*			trans	-86.2	-17.3	175.3	-79.7	-177.1	173.8	-179.4	0	116
3	M	46.6	Very low	50.9	Low	156 Å²	156	145.6 Å²	145.6	77%	0.768	69%	0.687	S	S	*	*	H	α-helix	trans	-88.4	-19.1	-175.2	-148.3	162.7	78.6	0	0	114.7
4	K	49.2	Very low	50.6	Low	185 Å²	185	139.4 Å²	139.4	80%	0.804	67%	0.668	S	S	*	*	H	α-helix	trans	-81.4	-24.5	174.6	-84.4	-172.5	173.3	-175.5	0	113.4	S8	K4-S8 PolarHBondContact O-N 3.24Å
5	L	51.4	Low	50.4	Low	133 Å²	133	136.5 Å²	136.5	70%	0.696	66%	0.662	S	S	*	*	H	α-helix	trans	-73.8	-31.9	173.7	-105	88.7	0	0	0	112.1	S8 F9	L5-S8 PolarHBondContact O-N 2.96Å; L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 2.91Å; L5-F9 VanDerWaalsContact O-N 3.1Å
6	F	51.1	Low	49.8	Very low	157 Å²	157	133.9 Å²	133.9	69%	0.689	65%	0.652	S	S	*	*	H	α-helix	trans	-69.9	-40	-176.6	-143.9	-93.6	0	0	0	112.5	W10	F6-W10 PolarHBondContact O-N 3.11Å
7	F	53.2	Low	48.9	Very low	166 Å²	166	130.3 Å²	130.3	73%	0.728	64%	0.643	S	S	*	*	H	α-helix	trans	-74.7	-30.2	175.1	-88	-82.8	0	0	0	113.5	F9 G11	F7-F9 VanDerWaalsContact C-N 3.32Å; F7-G11 PolarHBondContact O-N 3.15Å
8	S	53.8	Low	48	Very low	74 Å²	74	131.4 Å²	131.4	52%	0.517	65%	0.651	S	S	.	*	H	α-helix	trans	-70.8	-28.9	174.4	-173.5	0	0	0	0	112.5	K4 L5 L12	K4-S8 PolarHBondContact O-N 3.24Å; L5-S8 PolarHBondContact O-N 2.96Å; S8-L12 PolarHBondContact O-N 2.63Å
9	F	53	Low	47.3	Very low	151 Å²	151	132.7 Å²	132.7	66%	0.662	66%	0.655	S	S	*	*	H	α-helix	trans	-79.9	-35.5	-179.9	-152.6	-99	0	0	0	112.2	L5 F7 L13	L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 2.91Å; L5-F9 VanDerWaalsContact O-N 3.1Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F9-L13 HydrophobicContact CE1-CD1 4.37Å; F9-L13 PolarHBondContact O-N 3.4Å; F9-L13 VanDerWaalsContact O-N 3.12Å
10	W	51.2	Low	46.5	Very low	189 Å²	189	133.9 Å²	133.9	72%	0.716	66%	0.657	S	S	*	*	H	α-helix	trans	-78.2	-33.4	173.8	-103.3	47.1	0	0	0	113.6	F6 L13 S14	F6-W10 PolarHBondContact O-N 3.11Å; W10-L13 PolarHBondContact O-N 3.15Å; W10-S14 PolarHBondContact O-N 3.41Å; W10-S14 PolarHBondContact O-OG 3.13Å
11	G	51.3	Low	45.7	Very low	35 Å²	35	135.5 Å²	135.5	36%	0.361	66%	0.66	S	S	.	*	H	α-helix	trans	-66.5	-34.9	172.2	0	0	0	0	0	113	F7 S14 V15	F7-G11 PolarHBondContact O-N 3.15Å; G11-S14 PolarHBondContact O-OG 3.44Å; G11-V15 VanDerWaalsContact O-CG2 3.28Å; G11-V15 WeakPolarHBondContact O-CG2 3.44Å; G11-V15 PolarHBondContact O-N 3.44Å
12	L	50.9	Low	44.4	Very low	106 Å²	106	130 Å²	130	56%	0.555	65%	0.651	S	S	*	*	H	α-helix	trans	-70.2	-38.8	170.4	-114.8	90.2	0	0	0	111.5	S8 S14 V15 L16	S8-L12 PolarHBondContact O-N 2.63Å; L12-S14 PolarHBondContact O-N 3.15Å; L12-V15 PolarHBondContact O-N 3.38Å; L12-L16 HydrophobicContact CB-CD1 4.44Å; L12-L16 HydrophobicContact CD2-CD1 4.17Å; L12-L16 HydrophobicContact CG-CD1 4.5Å; L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.24Å; L12-L16 PolarHBondContact O-N 2.89Å
13	L	47.4	Very low	43.4	Very low	96 Å²	96	125.4 Å²	125.4	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-66.1	-36.1	178.3	-122.9	82.4	0	0	0	112.6	F9 W10 L16 S17	F9-L13 HydrophobicContact CE1-CD1 4.37Å; F9-L13 PolarHBondContact O-N 3.4Å; F9-L13 VanDerWaalsContact O-N 3.12Å; W10-L13 PolarHBondContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 2.97Å; L13-S17 VanDerWaalsContact O-CB 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.16Å; L13-S17 PolarHBondContact O-N 3.44Å; L13-S17 PolarHBondContact O-OG 3.44Å
14	S	46.3	Very low	42.9	Very low	59 Å²	59	123.1 Å²	123.1	41%	0.413	63%	0.63	S	S	.	*	H	α-helix	trans	-71.4	-31.7	176	57.4	0	0	0	0	113.2	W10 G11 L12 S17 L18	W10-S14 PolarHBondContact O-N 3.41Å; W10-S14 PolarHBondContact O-OG 3.13Å; G11-S14 PolarHBondContact O-OG 3.44Å; L12-S14 PolarHBondContact O-N 3.15Å; S14-S17 VanDerWaalsContact CA-OG 3.31Å; S14-S17 WeakPolarHBondContact CA-OG 3.42Å; S14-S17 PolarHBondContact O-OG 3.31Å; S14-S17 VanDerWaalsContact O-OG 3.06Å; S14-L18 WeakPolarHBondContact O-CD1 3.4Å; S14-L18 PolarHBondContact O-N 3.21Å
15	V	47.3	Very low	42.6	Very low	96 Å²	96	119.5 Å²	119.5	58%	0.582	63%	0.626	S	S	*	*	H	α-helix	trans	-79.8	-31.1	175.6	176.4	0	0	0	0	111.1	G11 L12	G11-V15 VanDerWaalsContact O-CG2 3.28Å; G11-V15 WeakPolarHBondContact O-CG2 3.44Å; G11-V15 PolarHBondContact O-N 3.44Å; L12-V15 PolarHBondContact O-N 3.38Å
16	L	41.3	Very low	42.8	Very low	95 Å²	95	115.7 Å²	115.7	50%	0.497	61%	0.606	S	S	.	*	H	α-helix	trans	-76	-27.6	171.2	-85	148.8	0	0	0	112.9	L12 L13 Q19	L12-L16 HydrophobicContact CB-CD1 4.44Å; L12-L16 HydrophobicContact CD2-CD1 4.17Å; L12-L16 HydrophobicContact CG-CD1 4.5Å; L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.24Å; L12-L16 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 2.97Å; L16-Q19 PolarHBondContact O-N 2.83Å
17	S	34.7	Very low	43.9	Very low	72 Å²	72	110.7 Å²	110.7	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-79.4	-17.7	172.4	62	0	0	0	0	113.6	L13 S14 Q19	L13-S17 VanDerWaalsContact O-CB 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.16Å; L13-S17 PolarHBondContact O-N 3.44Å; L13-S17 PolarHBondContact O-OG 3.44Å; S14-S17 VanDerWaalsContact CA-OG 3.31Å; S14-S17 WeakPolarHBondContact CA-OG 3.42Å; S14-S17 PolarHBondContact O-OG 3.31Å; S14-S17 VanDerWaalsContact O-OG 3.06Å; S17-Q19 VanDerWaalsContact C-N 3.32Å
18	L	33.2	Very low	45.4	Very low	150 Å²	150	106.1 Å²	106.1	79%	0.785	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	1.2	170.7	-86.4	157.5	0	0	0	113.3	S14	S14-L18 WeakPolarHBondContact O-CD1 3.4Å; S14-L18 PolarHBondContact O-N 3.21Å
19	Q	33.8	Very low	47.1	Very low	157 Å²	157	102.6 Å²	102.6	73%	0.734	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	7.2	166.6	-78.6	-172	-31.9	0	0	113.3	L16 S17 F21	L16-Q19 PolarHBondContact O-N 2.83Å; S17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-F21 PolarHBondContact O-N 3.44Å
20	F	31.2	Very low	48.7	Very low	156 Å²	156	97.9 Å²	97.9	68%	0.684	52%	0.521	S	S	*	.	S	Bend	trans	-80.5	115.5	169.4	-93.4	-89.7	0	0	0	110.8
21	F	29.9	Very low	50.6	Low	168 Å²	168	91 Å²	91	74%	0.737	50%	0.501	S	S	*	.			trans	57.6	67.7	164.3	-66.9	-82.6	0	0	0	116.9	Q19 C23	Q19-F21 PolarHBondContact O-N 3.44Å; F21-C23 PolarHBondContact O-N 3.43Å
22	C	25.8	Very low	52.5	Low	129 Å²	129	94.9 Å²	94.9	87%	0.872	52%	0.52	S	S	*	.			trans	-73.4	91.9	130.2	-84.4	0	0	0	0	106.3	E24	C22-E24 VanDerWaalsContact C-N 3.28Å; C22-E24 PolarHBondContact O-N 2.84Å
23	C	28.6	Very low	54.3	Low	103 Å²	103	90.4 Å²	90.4	70%	0.696	50%	0.5	S	S	*	.			trans	-55.6	105.7	150.9	-93.1	0	0	0	0	105.1	F21 P25	F21-C23 PolarHBondContact O-N 3.43Å; C23-P25 WeakPolarHBondContact O-CD 3.41Å; C23-P25 VanDerWaalsContact O-N 3.1Å
24	E	35.8	Very low	56.4	Low	108 Å²	108	89 Å²	89	51%	0.505	49%	0.493	S	S	.	.			trans	-50.1	121.5	158.2	-80.7	-178.6	159.5	0	0	105.6	C22 N26	C22-E24 VanDerWaalsContact C-N 3.28Å; C22-E24 PolarHBondContact O-N 2.84Å; E24-N26 PolarHBondContact O-N 3.33Å
25	P	43.4	Very low	58.5	Low	109 Å²	109	86.3 Å²	86.3	71%	0.708	47%	0.473	S	S	*	.			trans	-60.1	112.8	179	22	-29.5	0	0	0	106.5	C23 Q27 R55	C23-P25 WeakPolarHBondContact O-CD 3.41Å; C23-P25 VanDerWaalsContact O-N 3.1Å; P25-Q27 PolarHBondContact O-N 2.86Å; P25-R55 PolarHBondContact O-NH1 2.86Å
26	N	56.4	Low	60.7	Low	53 Å²	53	82.5 Å²	82.5	28%	0.283	45%	0.45	S	S	.	.			trans	-61.8	125.5	169.4	-81.3	-21.4	0	0	0	106.6	E24 E28 R55 M104	E24-N26 PolarHBondContact O-N 3.33Å; N26-E28 PolarHBondContact O-N 3.1Å; N26-E28 VanDerWaalsContact O-N 3.13Å; N26-R55 PolarHBondContact OD1-NH2 3.19Å; N26-R55 VanDerWaalsContact OD1-NH2 3.14Å; N26-M104 HydrophobicContact CB-CE 4.08Å
27	Q	72.4	Confident	63.3	Low	53 Å²	53	78 Å²	78	25%	0.248	43%	0.426	C	S	.	.			trans	-63	118.3	167.8	-74.6	-174.1	-20.8	0	0	107.2	P25 P358 F359 D362	P25-Q27 PolarHBondContact O-N 2.86Å; Q27-P358 HydrophobicContact CB-CB 4.07Å; Q27-P358 HydrophobicContact CG-CB 3.89Å; Q27-F359 HydrophobicContact CB-CD1 4.25Å; Q27-F359 HydrophobicContact CB-CE1 3.62Å; Q27-F359 HydrophobicContact CB-CZ 3.87Å; Q27-F359 WeakPolarHBondContact O-CZ 3.45Å; Q27-D362 PolarHBondContact NE2-OD2 3.43Å
28	E	85.1	Confident	66.2	Low	70 Å²	70	74.6 Å²	74.6	33%	0.327	40%	0.402	S	S	.	.			trans	-136.6	127.4	-178	56	-176.8	-159.6	0	0	107.3	N26 K30 H102 I103 M104 P358	N26-E28 PolarHBondContact O-N 3.1Å; N26-E28 VanDerWaalsContact O-N 3.13Å; E28-K30 HydrophobicContact CG-CD 4.23Å; E28-K30 HydrophobicContact CG-CG 4.5Å; E28-K30 VanDerWaalsContact OE1-CE 3.31Å; E28-K30 WeakPolarHBondContact OE1-CE 3.1Å; E28-K30 IonicContact OE1-NZ 2.79Å; E28-K30 PolarHBondContact OE1-NZ 3.49Å; E28-K30 WeakPolarHBondContact OE2-CE 3.43Å; E28-K30 IonicContact OE2-NZ 2.72Å; E28-K30 PolarHBondContact OE2-NZ 3.24Å; E28-H102 IonicContact OE2-CE1 2.66Å; E28-H102 IonicContact OE2-NE2 2.74Å; E28-H102 PolarHBondContact OE2-NE2 3.28Å; E28-I103 WeakPolarHBondContact CA-O 3.37Å; E28-M104 HydrophobicContact CB-SD 3.73Å; E28-P358 VanDerWaalsContact O-CD 3.32Å; E28-P358 WeakPolarHBondContact O-CD 3.36Å
29	A	89.3	Confident	69.2	Low	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.8	173	0	0	0	0	0	108.3	I103 N356 N357 F359	A29-I103 HydrophobicContact CB-CB 4.18Å; A29-I103 PolarHBondContact N-O 3.06Å; A29-I103 PolarHBondContact O-N 3.43Å; A29-N356 WeakPolarHBondContact CA-O 3.29Å; A29-N357 HydrophobicContact CB-CB 3.94Å; A29-F359 HydrophobicContact CB-CD2 4.09Å; A29-F359 HydrophobicContact CB-CE2 4.24Å
30	K	88.3	Confident	72.1	Confident	52 Å²	52	60 Å²	60	23%	0.226	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	-171.7	-71.8	-179.4	174.1	169.6	0	111.8	E28 F101 H102 N356	E28-K30 HydrophobicContact CG-CD 4.23Å; E28-K30 HydrophobicContact CG-CG 4.5Å; E28-K30 VanDerWaalsContact OE1-CE 3.31Å; E28-K30 WeakPolarHBondContact OE1-CE 3.1Å; E28-K30 IonicContact OE1-NZ 2.79Å; E28-K30 PolarHBondContact OE1-NZ 3.49Å; E28-K30 WeakPolarHBondContact OE2-CE 3.43Å; E28-K30 IonicContact OE2-NZ 2.72Å; E28-K30 PolarHBondContact OE2-NZ 3.24Å; K30-F101 WeakPolarHBondContact CA-O 3.25Å; K30-H102 WeakPolarHBondContact CE-CD2 3.33Å; K30-H102 WeakPolarHBondContact CE-CE1 3.43Å; K30-H102 WeakPolarHBondContact CE-NE2 3.29Å; K30-H102 HydrophobicContact CG-CB 4.31Å; K30-N356 PolarHBondContact N-O 2.94Å
31	S	90.5	Very high	75.2	Confident	43 Å²	43	52.6 Å²	52.6	30%	0.301	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.6	166.6	-175.4	0	0	0	0	109.3	G100 F101	S31-G100 WeakPolarHBondContact O-CA 3.42Å; S31-F101 PolarHBondContact N-O 3.48Å; S31-F101 PolarHBondContact O-N 3.39Å
32	P	89.9	Confident	78.1	Confident	118 Å²	118	44.6 Å²	44.6	77%	0.766	26%	0.262	S	S	*	.			trans	-68.5	152	-179.2	30.3	-35.2	0	0	0	111.7
33	G	90.3	Very high	81.2	Confident	12 Å²	12	38.4 Å²	38.4	12%	0.124	22%	0.221	C	C	.	.			trans	-170	169.2	170	0	0	0	0	0	110.5	I35 T98 P138	G33-I35 VanDerWaalsContact C-N 3.32Å; G33-T98 WeakPolarHBondContact CA-OG1 3.4Å; G33-P138 WeakPolarHBondContact O-CG 3.27Å
34	D	90.6	Very high	83.9	Confident	66 Å²	66	34.4 Å²	34.4	35%	0.353	19%	0.192	S	C	.	.	S	Bend	trans	-67.4	-35.8	179.3	-58.3	-62.3	0	0	0	111.6	I97 T98 I413	D34-I97 HydrophobicContact CB-CG2 4.09Å; D34-T98 PolarHBondContact N-O 3.45Å; D34-T98 PolarHBondContact N-OG1 3.09Å; D34-T98 PolarHBondContact OD2-N 2.98Å; D34-T98 PolarHBondContact OD2-OG1 3.03Å; D34-I413 HydrophobicContact CB-CD1 4.09Å; D34-I413 HydrophobicContact CB-CG2 4.36Å; D34-I413 VanDerWaalsContact O-CG2 3.26Å; D34-I413 WeakPolarHBondContact O-CG2 3.44Å
35	I	91.8	Very high	85.8	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120	174.9	-64.1	-176	0	0	0	109.3	G33 I97 T98 L99 G100 T141 V402 I413 L416	G33-I35 VanDerWaalsContact C-N 3.32Å; I35-I97 HydrophobicContact CD1-CG2 4.26Å; I35-I97 HydrophobicContact CG1-CG2 4.39Å; I35-T98 PolarHBondContact N-O 3.45Å; I35-T98 VanDerWaalsContact N-O 3.15Å; I35-L99 HydrophobicContact CB-CD2 4.04Å; I35-L99 HydrophobicContact CG2-CD2 4.31Å; I35-G100 PolarHBondContact O-N 3.07Å; I35-T141 HydrophobicContact CG2-CG2 4.44Å; I35-V402 HydrophobicContact CD1-CB 4.1Å; I35-V402 HydrophobicContact CD1-CG1 3.55Å; I35-V402 HydrophobicContact CD1-CG2 3.42Å; I35-V402 VanDerWaalsContact CD1-CG2 3.42Å; I35-V402 HydrophobicContact CG2-CG2 4.35Å; I35-I413 HydrophobicContact CG1-CG2 3.93Å; I35-L416 HydrophobicContact CD1-CD2 4.37Å
36	M	92.1	Very high	87.1	Confident	17 Å²	17	27 Å²	27	8%	0.084	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.6	-177.6	-64.6	-60.7	-58.6	0	0	111.8	F101 H102 P138 T141	M36-F101 WeakPolarHBondContact CE-O 3.5Å; M36-H102 HydrophobicContact CE-CB 4.39Å; M36-P138 HydrophobicContact CG-CB 4.03Å; M36-P138 HydrophobicContact CG-CG 3.71Å; M36-P138 HydrophobicContact SD-CG 4.42Å; M36-T141 PolarHBondContact O-N 3.42Å
37	I	95.6	Very high	87.8	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.2	175.5	-49.4	170.9	0	0	0	109.4	M81 V85 L99 G100 F101 H102 I144 I398	I37-M81 HydrophobicContact CB-CE 3.75Å; I37-M81 HydrophobicContact CG2-CE 3.43Å; I37-M81 VanDerWaalsContact CG2-CE 3.43Å; I37-V85 HydrophobicContact CD1-CG2 4.18Å; I37-L99 HydrophobicContact CD1-CB 4.33Å; I37-L99 HydrophobicContact CD1-CD1 4.23Å; I37-G100 PolarHBondContact N-O 2.89Å; I37-F101 CarbonylContact O-C 3.51Å; I37-F101 WeakPolarHBondContact O-CA 3.26Å; I37-H102 PolarHBondContact O-N 3.41Å; I37-I144 HydrophobicContact CG2-CD1 4.05Å; I37-I144 HydrophobicContact CG2-CG1 4Å; I37-I398 HydrophobicContact CD1-CD1 4.16Å; I37-I398 HydrophobicContact CD1-CG2 3.86Å; I37-I398 HydrophobicContact CG1-CD1 4.36Å; I37-I398 HydrophobicContact CG1-CG2 4.21Å; I37-I398 HydrophobicContact CG2-CD1 3.76Å
38	G	95.4	Very high	87.4	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.1	170.8	0	0	0	0	0	110.3	H102 A142 V143 I144	G38-H102 CarbonylContact C-O 2.97Å; G38-H102 WeakPolarHBondContact CA-O 3.44Å; G38-A142 PolarHBondContact N-O 3.22Å; G38-V143 CarbonylContact O-C 3.53Å; G38-V143 WeakPolarHBondContact O-CA 3.03Å; G38-I144 PolarHBondContact O-N 3.43Å
39	G	96.5	Very high	86.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.8	172.4	0	0	0	0	0	109.9	H102 I103 M104 F120 I144	G39-H102 PolarHBondContact N-O 3.25Å; G39-I103 CarbonylContact O-C 3.41Å; G39-I103 VanDerWaalsContact O-CA 3.32Å; G39-I103 WeakPolarHBondContact O-CA 3.35Å; G39-M104 PolarHBondContact O-N 3.25Å; G39-F120 WeakPolarHBondContact O-CZ 3.48Å; G39-I144 CarbonylContact C-O 3.54Å; G39-I144 WeakPolarHBondContact CA-O 2.88Å
40	L	96.1	Very high	84.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	105.9	177	-168.6	67	0	0	0	109.2	M104 A113 N116 F120 V143 I144 G145 D146 V155	L40-M104 WeakPolarHBondContact CA-O 3.33Å; L40-M104 HydrophobicContact CD1-CB 4.2Å; L40-A113 HydrophobicContact CD2-CB 4.22Å; L40-N116 HydrophobicContact CD1-CB 4.44Å; L40-F120 HydrophobicContact CB-CE2 4.38Å; L40-F120 HydrophobicContact CD1-CE2 4.48Å; L40-V143 HydrophobicContact CB-CG1 4.42Å; L40-I144 PolarHBondContact N-O 3.41Å; L40-G145 WeakPolarHBondContact O-CA 3.42Å; L40-D146 HydrophobicContact CD2-CB 4.49Å; L40-V155 HydrophobicContact CD2-CB 4.42Å; L40-V155 HydrophobicContact CD2-CG1 3.99Å; L40-V155 HydrophobicContact CD2-CG2 3.64Å
41	F	95.4	Very high	83.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.9	-172.6	-67.9	-94.1	0	0	0	110.3	I43 Q77 M81 I103 M104 D105 S106 I144 Y169 I391	F41-I43 HydrophobicContact CB-CG1 4.12Å; F41-I43 PolarHBondContact O-N 3.32Å; F41-Q77 HydrophobicContact CD1-CB 4.06Å; F41-Q77 HydrophobicContact CE1-CB 4.2Å; F41-M81 HydrophobicContact CE2-CB 4.39Å; F41-M81 HydrophobicContact CE2-SD 3.69Å; F41-M81 HydrophobicContact CZ-CB 3.94Å; F41-M81 HydrophobicContact CZ-SD 3.94Å; F41-I103 HydrophobicContact CD2-CG2 3.99Å; F41-M104 PolarHBondContact N-O 3.12Å; F41-M104 VanDerWaalsContact N-O 3.15Å; F41-D105 CarbonylContact O-C 3.58Å; F41-D105 VanDerWaalsContact O-CA 3.31Å; F41-D105 WeakPolarHBondContact O-CA 3.26Å; F41-S106 PolarHBondContact O-N 2.8Å; F41-I144 HydrophobicContact CZ-CG2 4.3Å; F41-Y169 AromaticContact CD1-CE1 3.7Å; F41-Y169 HydrophobicContact CD1-CE1 3.7Å; F41-Y169 AromaticContact CD1-CZ 3.69Å; F41-Y169 VanDerWaalsContact CD1-OH 3.24Å; F41-Y169 WeakPolarHBondContact CD1-OH 3.32Å; F41-Y169 HydrophobicContact CE1-CD1 4.17Å; F41-Y169 AromaticContact CE1-CE1 3.48Å; F41-Y169 HydrophobicContact CE1-CE1 3.48Å; F41-Y169 VanDerWaalsContact CE1-CE1 3.48Å; F41-Y169 AromaticContact CE1-CZ 3.73Å; F41-Y169 HydrophobicContact CZ-CE1 4.29Å; F41-I391 HydrophobicContact CE1-CD1 3.95Å
42	P	91.8	Very high	81.8	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.			trans	-80.3	69.3	177.5	31.8	-33.9	0	0	0	110.6	H44 R74 S106 A108 Y148	P42-H44 VanDerWaalsContact C-N 3.26Å; P42-H44 CarbonylContact C-O 3.55Å; P42-H44 PolarHBondContact O-N 3.19Å; P42-R74 HydrophobicContact CG-CG 4.32Å; P42-R74 WeakPolarHBondContact O-CB 3.41Å; P42-R74 WeakPolarHBondContact O-CG 3.31Å; P42-S106 WeakPolarHBondContact CA-OG 3.39Å; P42-S106 WeakPolarHBondContact CB-OG 3.39Å; P42-A108 HydrophobicContact CB-CB 4.13Å; P42-Y148 HydrophobicContact CB-CD2 4.29Å; P42-Y148 HydrophobicContact CB-CE2 3.97Å; P42-Y148 HydrophobicContact CG-CD2 4.21Å; P42-Y148 HydrophobicContact CG-CE2 3.92Å
43	I	89.9	Confident	80.6	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-64.4	-37.9	-177.2	-61.2	173.4	0	0	0	109.9	F41 F70 S71 L75 D105 F359	F41-I43 HydrophobicContact CB-CG1 4.12Å; F41-I43 PolarHBondContact O-N 3.32Å; I43-F70 HydrophobicContact CG2-CD2 3.96Å; I43-F70 HydrophobicContact CG2-CE2 3.49Å; I43-F70 VanDerWaalsContact CG2-CE2 3.49Å; I43-F70 HydrophobicContact CG2-CZ 3.95Å; I43-S71 PolarHBondContact O-N 3.25Å; I43-L75 HydrophobicContact CG2-CB 4.42Å; I43-D105 PolarHBondContact N-OD1 3.25Å; I43-F359 HydrophobicContact CD1-CB 4.01Å; I43-F359 HydrophobicContact CD1-CD1 3.75Å; I43-F359 HydrophobicContact CD1-CD2 3.62Å; I43-F359 HydrophobicContact CD1-CE1 4.03Å; I43-F359 HydrophobicContact CD1-CE2 3.92Å; I43-F359 HydrophobicContact CD1-CG 3.52Å; I43-F359 HydrophobicContact CD1-CZ 4.1Å; I43-F359 HydrophobicContact CG2-CD1 4.41Å
44	H	84.9	Confident	78.9	Confident	19 Å²	19	33.6 Å²	33.6	9%	0.088	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-98.4	140.7	165	-61.3	85	0	0	0	110.2	P42 I68 F70 D105 C107 A108	P42-H44 VanDerWaalsContact C-N 3.26Å; P42-H44 CarbonylContact C-O 3.55Å; P42-H44 PolarHBondContact O-N 3.19Å; H44-I68 PolarHBondContact CD2-O 3.22Å; H44-F70 AromaticContact CE1-CD2 3.84Å; H44-F70 AromaticContact NE2-CD2 3.54Å; H44-D105 IonicContact CE1-OD2 3.28Å; H44-D105 IonicContact CG-OD2 2.63Å; H44-D105 PolarHBondContact N-OD1 3.01Å; H44-D105 PolarHBondContact N-OD2 3.26Å; H44-D105 IonicContact ND1-OD2 3.28Å; H44-D105 PolarHBondContact ND1-OD2 2.85Å; H44-C107 HydrophobicContact CB-CB 4.37Å; H44-C107 CarbonylContact O-C 3.55Å; H44-C107 WeakPolarHBondContact O-CA 3.12Å; H44-A108 PolarHBondContact O-N 3.44Å
45	E	76.5	Confident	77.2	Confident	43 Å²	43	35.1 Å²	35.1	20%	0.201	18%	0.183	C	C	.	.	S	Bend	trans	-100.9	5.9	-174.9	-69.6	-173.2	143	0	0	114.1	R69 R74	E45-R69 PolarHBondContact N-O 3.15Å; E45-R74 IonicContact OE1-NE 2.73Å; E45-R74 PolarHBondContact OE1-NE 3.5Å
46	S	70.3	Confident	74.9	Confident	17 Å²	17	40.9 Å²	40.9	12%	0.119	21%	0.205	C	C	.	.			trans	-158.4	160.8	169.3	66	0	0	0	0	113	R69	S46-R69 VanDerWaalsContact OG-CD 3.24Å; S46-R69 WeakPolarHBondContact OG-CD 3.39Å
47	V	71.2	Confident	72.1	Confident	22 Å²	22	43.2 Å²	43.2	13%	0.133	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-105.4	153.2	166.8	-65.4	0	0	0	0	111.3	C107 D109	V47-C107 HydrophobicContact CG1-CB 3.82Å; V47-D109 HydrophobicContact CB-CB 4.49Å; V47-D109 HydrophobicContact CG1-CB 3.61Å; V47-D109 HydrophobicContact CG2-CB 4.05Å
48	S	64.9	Low	69.2	Low	21 Å²	21	53.5 Å²	53.5	15%	0.147	27%	0.273	C	S	.	.			trans	-69.8	168.7	176.3	81.3	0	0	0	0	111.8	T50 G51 Q52 D54	S48-T50 PolarHBondContact O-N 2.94Å; S48-T50 VanDerWaalsContact O-N 3.07Å; S48-T50 PolarHBondContact OG-N 3.49Å; S48-T50 PolarHBondContact OG-OG1 3.07Å; S48-G51 PolarHBondContact O-N 3.38Å; S48-Q52 PolarHBondContact N-O 3.36Å; S48-Q52 PolarHBondContact OG-O 2.84Å; S48-D54 VanDerWaalsContact CB-OD1 3.27Å; S48-D54 WeakPolarHBondContact CB-OD1 3.28Å; S48-D54 WeakPolarHBondContact CB-OD2 3.37Å
49	K	58.8	Low	66.4	Low	200 Å²	200	57.1 Å²	57.1	87%	0.87	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.2	175.3	-71.3	-172.2	179.2	-178.1	0	113.7	G51	K49-G51 VanDerWaalsContact C-N 3.31Å
50	T	56	Low	63.6	Low	110 Å²	110	61.2 Å²	61.2	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.2	175.7	55.9	0	0	0	0	112.8	S48 Q52	S48-T50 PolarHBondContact O-N 2.94Å; S48-T50 VanDerWaalsContact O-N 3.07Å; S48-T50 PolarHBondContact OG-N 3.49Å; S48-T50 PolarHBondContact OG-OG1 3.07Å; T50-Q52 VanDerWaalsContact C-N 3.3Å; T50-Q52 PolarHBondContact O-N 3Å
51	G	58	Low	61	Low	36 Å²	36	64.5 Å²	64.5	37%	0.371	35%	0.35	S	S	.	.	S	Bend	trans	73.3	21.9	177.6	0	0	0	0	0	113.6	S48 K49	S48-G51 PolarHBondContact O-N 3.38Å; K49-G51 VanDerWaalsContact C-N 3.31Å
52	Q	61.1	Low	58.4	Low	93 Å²	93	73 Å²	73	44%	0.435	39%	0.39	S	S	.	.	S	Bend	trans	-100.4	137.5	171.8	-69.5	176.8	-43.5	0	0	108.4	S48 T50 D54	S48-Q52 PolarHBondContact N-O 3.36Å; S48-Q52 PolarHBondContact OG-O 2.84Å; T50-Q52 VanDerWaalsContact C-N 3.3Å; T50-Q52 PolarHBondContact O-N 3Å; Q52-D54 PolarHBondContact O-N 2.84Å
53	C	65.2	Low	56	Low	14 Å²	14	77.9 Å²	77.9	10%	0.095	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-57.5	123	158.6	-50.2	0	0	0	0	105.7	R55 C107 T112	C53-R55 VanDerWaalsContact C-N 3.32Å; C53-R55 WeakPolarHBondContact O-CG 3.48Å; C53-R55 PolarHBondContact O-N 3.43Å; C53-C107 HydrophobicContact CB-CB 4.03Å; C53-C107 WeakPolarHBondContact CB-SG 3.49Å; C53-C107 WeakPolarHBondContact SG-CB 3.05Å; C53-C107 CovalentContact SG-SG 2.02Å; C53-C107 PolarHBondContact SG-SG 2.91Å; C53-T112 WeakPolarHBondContact SG-CG2 3.44Å
54	D	54	Low	53.8	Low	44 Å²	44	79.3 Å²	79.3	24%	0.235	42%	0.423	C	S	.	.			trans	-60	93.1	-170.6	-92.6	-46.3	0	0	0	110.8	S48 Q52 I68	S48-D54 VanDerWaalsContact CB-OD1 3.27Å; S48-D54 WeakPolarHBondContact CB-OD1 3.28Å; S48-D54 WeakPolarHBondContact CB-OD2 3.37Å; Q52-D54 PolarHBondContact O-N 2.84Å; D54-I68 HydrophobicContact CB-CB 4.49Å; D54-I68 HydrophobicContact CB-CG1 4.22Å; D54-I68 HydrophobicContact CB-CG2 4.46Å; D54-I68 WeakPolarHBondContact O-CG2 3.49Å
55	R	56.2	Low	51.6	Low	99 Å²	99	83.9 Å²	83.9	37%	0.374	45%	0.448	S	S	.	.			trans	-91.6	110	174.9	-69.6	178.7	-162.1	-157.8	9.3	106.6	P25 N26 C53 A57	P25-R55 PolarHBondContact O-NH1 2.86Å; N26-R55 PolarHBondContact OD1-NH2 3.19Å; N26-R55 VanDerWaalsContact OD1-NH2 3.14Å; C53-R55 VanDerWaalsContact C-N 3.32Å; C53-R55 WeakPolarHBondContact O-CG 3.48Å; C53-R55 PolarHBondContact O-N 3.43Å; R55-A57 PolarHBondContact O-N 3.45Å
56	Y	43.7	Very low	50.1	Low	122 Å²	122	87.7 Å²	87.7	48%	0.478	47%	0.474	S	S	.	.			trans	25.8	82	161.7	-81.6	-87.7	0	0	0	115.6
57	A	32.7	Very low	48.9	Very low	67 Å²	67	91.1 Å²	91.1	55%	0.554	49%	0.491	S	S	*	.			trans	-71.5	127	149.5	0	0	0	0	0	107	R55 V59	R55-A57 PolarHBondContact O-N 3.45Å; A57-V59 HydrophobicContact CB-CG2 4.27Å; A57-V59 PolarHBondContact O-N 3.16Å
58	F	34.9	Very low	48.1	Very low	217 Å²	217	91 Å²	91	95%	0.952	49%	0.489	S	S	*	.	S	Bend	trans	-53.7	78.7	174.3	-84.7	-103.7	0	0	0	112.1
59	V	36.4	Very low	48.3	Very low	75 Å²	75	94 Å²	94	46%	0.455	50%	0.497	S	S	.	.			trans	-138.5	143.1	179	-170.7	0	0	0	0	108.6	A57 L63	A57-V59 HydrophobicContact CB-CG2 4.27Å; A57-V59 PolarHBondContact O-N 3.16Å; V59-L63 HydrophobicContact CG1-CB 4.16Å; V59-L63 HydrophobicContact CG1-CD2 3.98Å
60	S	36.7	Very low	49.4	Very low	86 Å²	86	85.7 Å²	85.7	60%	0.601	46%	0.461	S	S	*	.			trans	-52.4	148.7	-171.5	50.3	0	0	0	0	114.5	E62 L63	S60-E62 PolarHBondContact O-N 3.41Å; S60-L63 PolarHBondContact O-N 3.26Å
61	A	42.8	Very low	50.8	Low	70 Å²	70	81 Å²	81	58%	0.579	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-18.2	-172.3	0	0	0	0	0	116.5
62	E	40.5	Very low	52.3	Low	179 Å²	179	80 Å²	80	84%	0.836	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.6	179.9	-72.1	171.6	168.3	0	0	113.5	S60	S60-E62 PolarHBondContact O-N 3.41Å
63	L	40.5	Very low	53.6	Low	101 Å²	101	75.7 Å²	75.7	53%	0.529	40%	0.4	S	S	.	.	S	Bend	trans	-99.4	-8.2	178.9	-136.7	82.5	0	0	0	113.8	V59 S60	V59-L63 HydrophobicContact CG1-CB 4.16Å; V59-L63 HydrophobicContact CG1-CD2 3.98Å; S60-L63 PolarHBondContact O-N 3.26Å
64	I	43.6	Very low	54.8	Low	31 Å²	31	75.4 Å²	75.4	16%	0.159	40%	0.397	C	S	.	.	H	α-helix	trans	-73.8	-32.5	-169.8	-66.5	-178.1	0	0	0	112.6	V66 L67 I68	I64-V66 VanDerWaalsContact C-N 3.29Å; I64-V66 PolarHBondContact O-N 3.36Å; I64-L67 PolarHBondContact O-N 3.05Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 4.2Å; I64-I68 PolarHBondContact O-N 3.2Å
65	D	40.4	Very low	56.7	Low	115 Å²	115	73.3 Å²	73.3	62%	0.615	39%	0.385	S	S	*	.	H	α-helix	trans	-68.6	-30	-172.9	-139.3	37.9	0	0	0	113.1	R366	D65-R366 IonicContact OD1-CZ 2.76Å; D65-R366 VanDerWaalsContact OD1-CZ 3.28Å; D65-R366 IonicContact OD1-NE 3.19Å; D65-R366 IonicContact OD1-NH2 3.97Å; D65-R366 PolarHBondContact OD1-NH2 2.81Å
66	V	44.9	Very low	58.5	Low	123 Å²	123	68.6 Å²	68.6	75%	0.745	37%	0.368	S	S	*	.	H	α-helix	trans	-85.1	-23.8	179.5	-179.9	0	0	0	0	112	I64	I64-V66 VanDerWaalsContact C-N 3.29Å; I64-V66 PolarHBondContact O-N 3.36Å
67	L	45.3	Very low	60.9	Low	89 Å²	89	62.9 Å²	62.9	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-94.3	-35.5	-173.1	-118.8	89	0	0	0	114.2	I64	I64-L67 PolarHBondContact O-N 3.05Å
68	I	53.8	Low	64	Low	20 Å²	20	59.7 Å²	59.7	10%	0.103	32%	0.319	C	S	.	.	S	Bend	trans	-99.9	-15.2	-165.2	-57	-168.8	0	0	0	114	H44 D54 I64 F70	H44-I68 PolarHBondContact CD2-O 3.22Å; D54-I68 HydrophobicContact CB-CB 4.49Å; D54-I68 HydrophobicContact CB-CG1 4.22Å; D54-I68 HydrophobicContact CB-CG2 4.46Å; D54-I68 WeakPolarHBondContact O-CG2 3.49Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 4.2Å; I64-I68 PolarHBondContact O-N 3.2Å; I68-F70 HydrophobicContact CG2-CB 4.41Å; I68-F70 PolarHBondContact O-N 3.21Å
69	R	69.8	Low	66.9	Low	84 Å²	84	49.3 Å²	49.3	32%	0.317	27%	0.273	S	S	.	.			trans	41.7	38.9	179.8	-59.1	-155.5	-170.2	-123.8	2.8	115.1	E45 S46 D281	E45-R69 PolarHBondContact N-O 3.15Å; S46-R69 VanDerWaalsContact OG-CD 3.24Å; S46-R69 WeakPolarHBondContact OG-CD 3.39Å; R69-D281 IonicContact NH1-OD1 3.65Å; R69-D281 PolarHBondContact NH1-OD1 3.33Å
70	F	80.4	Confident	69.7	Low	24 Å²	24	46 Å²	46	11%	0.105	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-70.7	128.6	172.7	173.5	-71.8	0	0	0	109.8	I43 H44 I68 V72 L75 F363 R366	I43-F70 HydrophobicContact CG2-CD2 3.96Å; I43-F70 HydrophobicContact CG2-CE2 3.49Å; I43-F70 VanDerWaalsContact CG2-CE2 3.49Å; I43-F70 HydrophobicContact CG2-CZ 3.95Å; H44-F70 AromaticContact CE1-CD2 3.84Å; H44-F70 AromaticContact NE2-CD2 3.54Å; I68-F70 HydrophobicContact CG2-CB 4.41Å; I68-F70 PolarHBondContact O-N 3.21Å; F70-V72 HydrophobicContact CE1-CG2 4.4Å; F70-L75 HydrophobicContact CE1-CB 4.25Å; F70-L75 HydrophobicContact CE1-CD2 4.22Å; F70-L75 HydrophobicContact CZ-CB 3.94Å; F70-L75 HydrophobicContact CZ-CD2 3.71Å; F70-L75 HydrophobicContact CZ-CG 4.28Å; F70-F363 HydrophobicContact CE1-CB 4.16Å; F70-F363 AromaticContact CE1-CD2 3.89Å; F70-F363 HydrophobicContact CE1-CD2 3.89Å; F70-F363 HydrophobicContact CE1-CG 4.4Å; F70-F363 HydrophobicContact CZ-CB 3.87Å; F70-F363 HydrophobicContact CZ-CD2 4.45Å; F70-R366 VanDerWaalsContact CB-NH1 3.33Å; F70-R366 VanDerWaalsContact CD1-NH1 3.31Å
71	S	85.6	Confident	72.6	Confident	12 Å²	12	42 Å²	42	8%	0.084	23%	0.225	C	C	.	.			trans	-104.9	112	-175.3	-175.6	0	0	0	0	112	I43 A73 R74 L75	I43-S71 PolarHBondContact O-N 3.25Å; S71-A73 VanDerWaalsContact C-N 3.26Å; S71-A73 PolarHBondContact O-N 3.5Å; S71-R74 PolarHBondContact O-N 3.45Å; S71-R74 VanDerWaalsContact O-N 3.13Å; S71-R74 WeakPolarHBondContact OG-CG 3.13Å; S71-L75 PolarHBondContact O-N 3.41Å
72	V	88.9	Confident	75.1	Confident	14 Å²	14	38.6 Å²	38.6	9%	0.085	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-37.7	178.6	-176.7	0	0	0	0	111.1	F70 R74 L75 A76 F363 E378 L379 M382	F70-V72 HydrophobicContact CE1-CG2 4.4Å; V72-R74 VanDerWaalsContact C-N 3.35Å; V72-R74 PolarHBondContact O-N 3Å; V72-L75 PolarHBondContact O-N 3.37Å; V72-A76 WeakPolarHBondContact O-CB 3.13Å; V72-A76 PolarHBondContact O-N 3.44Å; V72-F363 HydrophobicContact CB-CE2 4.45Å; V72-F363 HydrophobicContact CG1-CE2 3.93Å; V72-F363 HydrophobicContact CG1-CZ 4.16Å; V72-F363 HydrophobicContact CG2-CD2 4.2Å; V72-F363 HydrophobicContact CG2-CE2 3.71Å; V72-E378 HydrophobicContact CG1-CG 4.37Å; V72-L379 HydrophobicContact CG1-CD2 3.69Å; V72-L379 HydrophobicContact CG1-CG 4.2Å; V72-M382 HydrophobicContact CB-CB 4.41Å; V72-M382 HydrophobicContact CB-CG 4.19Å; V72-M382 HydrophobicContact CG1-CB 4.03Å; V72-M382 HydrophobicContact CG1-CG 3.97Å
73	A	89.4	Confident	77.7	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-40	176.3	0	0	0	0	0	111.9	S71 A76 Q77 M382 Y384	S71-A73 VanDerWaalsContact C-N 3.26Å; S71-A73 PolarHBondContact O-N 3.5Å; A73-A76 WeakPolarHBondContact O-CB 3.33Å; A73-A76 PolarHBondContact O-N 3.09Å; A73-Q77 WeakPolarHBondContact O-CG 3.44Å; A73-Q77 PolarHBondContact O-N 3.42Å; A73-M382 HydrophobicContact CB-CB 4.24Å; A73-Y384 HydrophobicContact CB-CD2 4.23Å; A73-Y384 HydrophobicContact CB-CE2 3.59Å
74	R	91.1	Very high	80.4	Confident	9 Å²	9	26.6 Å²	26.6	3%	0.034	14%	0.139	C	C	.	.	H	α-helix	trans	-74.4	-35	179.4	-57.9	-61.4	-172.2	178.4	2.2	112.5	P42 E45 S71 V72 A76 Q77 S78 Y147 Y148	P42-R74 HydrophobicContact CG-CG 4.32Å; P42-R74 WeakPolarHBondContact O-CB 3.41Å; P42-R74 WeakPolarHBondContact O-CG 3.31Å; E45-R74 IonicContact OE1-NE 2.73Å; E45-R74 PolarHBondContact OE1-NE 3.5Å; S71-R74 PolarHBondContact O-N 3.45Å; S71-R74 VanDerWaalsContact O-N 3.13Å; S71-R74 WeakPolarHBondContact OG-CG 3.13Å; V72-R74 VanDerWaalsContact C-N 3.35Å; V72-R74 PolarHBondContact O-N 3Å; R74-A76 VanDerWaalsContact C-N 3.35Å; R74-Q77 WeakPolarHBondContact O-CB 3.25Å; R74-Q77 PolarHBondContact O-N 3.44Å; R74-S78 PolarHBondContact O-N 3.13Å; R74-S78 VanDerWaalsContact O-N 3.13Å; R74-Y147 VanDerWaalsContact NH1-CD1 3.28Å; R74-Y147 VanDerWaalsContact NH1-CE2 3.32Å; R74-Y148 PolarHBondContact NH2-OH 3.09Å
75	L	92.8	Very high	82.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-48.5	166.6	175.4	63.2	0	0	0	110.4	I43 F70 S71 V72 Q77 S78 L79 F359 L360 F363 L379	I43-L75 HydrophobicContact CG2-CB 4.42Å; F70-L75 HydrophobicContact CE1-CB 4.25Å; F70-L75 HydrophobicContact CE1-CD2 4.22Å; F70-L75 HydrophobicContact CZ-CB 3.94Å; F70-L75 HydrophobicContact CZ-CD2 3.71Å; F70-L75 HydrophobicContact CZ-CG 4.28Å; S71-L75 PolarHBondContact O-N 3.41Å; V72-L75 PolarHBondContact O-N 3.37Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 3.37Å; L75-S78 WeakPolarHBondContact O-CB 3.34Å; L75-S78 PolarHBondContact O-N 3.28Å; L75-S78 PolarHBondContact O-OG 3.46Å; L75-L79 HydrophobicContact CD1-CG 4.45Å; L75-L79 HydrophobicContact CG-CD1 4.25Å; L75-L79 PolarHBondContact O-N 3.38Å; L75-F359 HydrophobicContact CD1-CB 3.82Å; L75-L360 HydrophobicContact CD2-CD1 4.46Å; L75-F363 HydrophobicContact CD2-CB 3.58Å; L75-F363 HydrophobicContact CD2-CD1 4.09Å; L75-F363 HydrophobicContact CD2-CD2 4.44Å; L75-F363 HydrophobicContact CD2-CG 3.77Å; L75-L379 HydrophobicContact CD2-CD2 3.9Å; L75-L379 HydrophobicContact CG-CD2 4.18Å
76	A	94.1	Very high	85.4	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.7	-39.1	178	0	0	0	0	0	112	V72 A73 R74 S78 L79 M80 F340 L379	V72-A76 WeakPolarHBondContact O-CB 3.13Å; V72-A76 PolarHBondContact O-N 3.44Å; A73-A76 WeakPolarHBondContact O-CB 3.33Å; A73-A76 PolarHBondContact O-N 3.09Å; R74-A76 VanDerWaalsContact C-N 3.35Å; A76-S78 PolarHBondContact O-N 3.09Å; A76-L79 CarbonylContact O-C 3.56Å; A76-L79 PolarHBondContact O-N 3.42Å; A76-L79 VanDerWaalsContact O-N 3.17Å; A76-M80 WeakPolarHBondContact O-CG 3.28Å; A76-M80 PolarHBondContact O-N 2.84Å; A76-F340 HydrophobicContact CB-CE1 4.42Å; A76-F340 WeakPolarHBondContact O-CZ 3.3Å; A76-L379 HydrophobicContact CB-CD2 4.24Å
77	Q	95.3	Very high	87.8	Confident	1 Å²	1	18 Å²	18	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-44.3	173.2	-69.6	174.9	-0.8	0	0	112.4	F41 A73 R74 L75 L79 M80 M81 Y169 Y386 A387 I391	F41-Q77 HydrophobicContact CD1-CB 4.06Å; F41-Q77 HydrophobicContact CE1-CB 4.2Å; A73-Q77 WeakPolarHBondContact O-CG 3.44Å; A73-Q77 PolarHBondContact O-N 3.42Å; R74-Q77 WeakPolarHBondContact O-CB 3.25Å; R74-Q77 PolarHBondContact O-N 3.44Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 3.37Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.28Å; Q77-M80 WeakPolarHBondContact O-CB 3.32Å; Q77-M80 PolarHBondContact O-N 3.49Å; Q77-M80 VanDerWaalsContact O-N 3.15Å; Q77-M81 PolarHBondContact O-N 2.94Å; Q77-Y169 HydrophobicContact CG-CE2 4.49Å; Q77-Y169 VanDerWaalsContact OE1-CE2 3.27Å; Q77-Y169 PolarHBondContact OE1-OH 3.23Å; Q77-Y386 PolarHBondContact NE2-OH 3.09Å; Q77-A387 HydrophobicContact CG-CB 3.73Å; Q77-I391 HydrophobicContact CB-CD1 3.79Å; Q77-I391 HydrophobicContact CG-CD1 4.23Å; Q77-I391 WeakPolarHBondContact O-CD1 3.38Å
78	S	96.1	Very high	90.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-36.7	175.4	78.3	0	0	0	0	112.2	R74 L75 A76 M81 V82	R74-S78 PolarHBondContact O-N 3.13Å; R74-S78 VanDerWaalsContact O-N 3.13Å; L75-S78 WeakPolarHBondContact O-CB 3.34Å; L75-S78 PolarHBondContact O-N 3.28Å; L75-S78 PolarHBondContact O-OG 3.46Å; A76-S78 PolarHBondContact O-N 3.09Å; S78-M81 WeakPolarHBondContact O-CB 3.19Å; S78-M81 PolarHBondContact O-N 3.12Å; S78-V82 PolarHBondContact O-N 3.1Å
79	L	95.6	Very high	92.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-72.7	-26.3	176	-64.8	174.5	0	0	0	112.6	L75 A76 Q77 M81 V82 H83 F340 L344 L360 L379	L75-L79 HydrophobicContact CD1-CG 4.45Å; L75-L79 HydrophobicContact CG-CD1 4.25Å; L75-L79 PolarHBondContact O-N 3.38Å; A76-L79 CarbonylContact O-C 3.56Å; A76-L79 PolarHBondContact O-N 3.42Å; A76-L79 VanDerWaalsContact O-N 3.17Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.28Å; L79-M81 VanDerWaalsContact C-N 3.29Å; L79-M81 PolarHBondContact O-N 3.43Å; L79-V82 WeakPolarHBondContact O-CB 3.34Å; L79-V82 PolarHBondContact O-N 3.3Å; L79-H83 WeakPolarHBondContact O-CB 3.27Å; L79-H83 PolarHBondContact O-N 2.96Å; L79-F340 HydrophobicContact CB-CE2 3.98Å; L79-F340 HydrophobicContact CB-CZ 3.89Å; L79-L344 HydrophobicContact CD1-CD2 4.09Å; L79-L360 HydrophobicContact CD1-CD1 4.24Å; L79-L360 HydrophobicContact CD2-CD2 4.35Å; L79-L379 HydrophobicContact CD1-CD1 4.41Å
80	M	96.8	Very high	93.3	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.03	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-36.8	171.5	-70	168.7	-177.7	0	0	111.1	A76 Q77 H83 A84 F340 A387 A388 I391	A76-M80 WeakPolarHBondContact O-CG 3.28Å; A76-M80 PolarHBondContact O-N 2.84Å; Q77-M80 WeakPolarHBondContact O-CB 3.32Å; Q77-M80 PolarHBondContact O-N 3.49Å; Q77-M80 VanDerWaalsContact O-N 3.15Å; M80-H83 PolarHBondContact O-N 3.32Å; M80-A84 WeakPolarHBondContact O-CB 3.45Å; M80-A84 PolarHBondContact O-N 3.43Å; M80-F340 HydrophobicContact CB-CE2 4.34Å; M80-F340 HydrophobicContact CE-CD1 3.75Å; M80-F340 HydrophobicContact CE-CE1 3.66Å; M80-F340 HydrophobicContact CE-CZ 4.49Å; M80-F340 HydrophobicContact CG-CD1 3.84Å; M80-F340 HydrophobicContact CG-CD2 3.93Å; M80-F340 HydrophobicContact CG-CE1 3.66Å; M80-F340 HydrophobicContact CG-CE2 3.78Å; M80-F340 HydrophobicContact CG-CG 3.96Å; M80-F340 HydrophobicContact CG-CZ 3.63Å; M80-A387 HydrophobicContact SD-CB 4.1Å; M80-A388 HydrophobicContact CE-CB 4.19Å; M80-A388 VanDerWaalsContact SD-CA 3.58Å; M80-A388 HydrophobicContact SD-CB 3.94Å; M80-A388 PolarHBondContact SD-N 3.22Å; M80-A388 VanDerWaalsContact SD-N 3.42Å; M80-I391 HydrophobicContact CB-CD1 4.33Å; M80-I391 HydrophobicContact CB-CG2 4.33Å; M80-I391 HydrophobicContact SD-CD1 4.49Å
81	M	97.1	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-46	171.9	177.6	-177.9	167.4	0	0	111	I37 F41 Q77 S78 L79 H83 A84 V85 F101 I103 I144 I391 V395	I37-M81 HydrophobicContact CB-CE 3.75Å; I37-M81 HydrophobicContact CG2-CE 3.43Å; I37-M81 VanDerWaalsContact CG2-CE 3.43Å; F41-M81 HydrophobicContact CE2-CB 4.39Å; F41-M81 HydrophobicContact CE2-SD 3.69Å; F41-M81 HydrophobicContact CZ-CB 3.94Å; F41-M81 HydrophobicContact CZ-SD 3.94Å; Q77-M81 PolarHBondContact O-N 2.94Å; S78-M81 WeakPolarHBondContact O-CB 3.19Å; S78-M81 PolarHBondContact O-N 3.12Å; L79-M81 VanDerWaalsContact C-N 3.29Å; L79-M81 PolarHBondContact O-N 3.43Å; M81-H83 VanDerWaalsContact C-N 3.34Å; M81-H83 PolarHBondContact O-N 3.35Å; M81-A84 PolarHBondContact O-N 3.26Å; M81-V85 WeakPolarHBondContact O-CG2 3.43Å; M81-V85 PolarHBondContact O-N 3.37Å; M81-F101 HydrophobicContact CE-CB 3.89Å; M81-I103 HydrophobicContact SD-CD1 4.49Å; M81-I103 HydrophobicContact SD-CG1 4.34Å; M81-I144 HydrophobicContact CE-CD1 4.25Å; M81-I144 HydrophobicContact CG-CD1 4.33Å; M81-I144 HydrophobicContact SD-CB 4.19Å; M81-I144 HydrophobicContact SD-CD1 4.22Å; M81-I391 HydrophobicContact CB-CG2 3.78Å; M81-V395 HydrophobicContact CG-CG2 4.22Å
82	V	95.6	Very high	93.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.7	-49.7	175.8	175.8	0	0	0	0	110.7	S78 L79 A84 V85 E86 F101 I103 F343 L353	S78-V82 PolarHBondContact O-N 3.1Å; L79-V82 WeakPolarHBondContact O-CB 3.34Å; L79-V82 PolarHBondContact O-N 3.3Å; V82-A84 PolarHBondContact O-N 3.49Å; V82-V85 PolarHBondContact O-N 3.25Å; V82-E86 PolarHBondContact O-N 3.04Å; V82-F101 HydrophobicContact CB-CE1 4.29Å; V82-F101 HydrophobicContact CB-CZ 4.37Å; V82-F101 HydrophobicContact CG1-CE1 3.9Å; V82-F101 HydrophobicContact CG1-CZ 3.96Å; V82-F101 HydrophobicContact CG2-CE1 3.96Å; V82-F101 HydrophobicContact CG2-CE2 4Å; V82-F101 HydrophobicContact CG2-CZ 3.68Å; V82-I103 HydrophobicContact CG2-CD1 3.81Å; V82-F343 HydrophobicContact CG1-CZ 4.33Å; V82-L353 HydrophobicContact CG1-CD1 3.73Å; V82-L353 HydrophobicContact CG1-CD2 4.03Å
83	H	95.4	Very high	93.9	Very high	23 Å²	23	27.3 Å²	27.3	11%	0.106	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-46.4	179.3	178.3	54.5	0	0	0	112.4	L79 M80 M81 V85 E86 E87 F340 F343	L79-H83 WeakPolarHBondContact O-CB 3.27Å; L79-H83 PolarHBondContact O-N 2.96Å; M80-H83 PolarHBondContact O-N 3.32Å; M81-H83 VanDerWaalsContact C-N 3.34Å; M81-H83 PolarHBondContact O-N 3.35Å; H83-V85 VanDerWaalsContact C-N 3.34Å; H83-V85 PolarHBondContact O-N 3.5Å; H83-E86 PolarHBondContact O-N 3.5Å; H83-E87 IonicContact NE2-OE2 2.86Å; H83-E87 PolarHBondContact O-N 2.92Å; H83-F340 HydrophobicContact CB-CD2 3.74Å; H83-F340 HydrophobicContact CB-CE2 4.13Å; H83-F340 AromaticContact CD2-CD2 3.91Å; H83-F340 AromaticContact CG-CD2 3.9Å; H83-F343 HydrophobicContact CB-CD1 3.88Å; H83-F343 HydrophobicContact CB-CE1 4Å; H83-F343 HydrophobicContact CB-CG 4.18Å; H83-F343 HydrophobicContact CB-CZ 4.4Å; H83-F343 AromaticContact CG-CG 3.91Å; H83-F343 WeakPolarHBondContact ND1-CB 3.33Å; H83-F343 AromaticContact ND1-CD1 3.93Å; H83-F343 AromaticContact ND1-CD2 3.56Å; H83-F343 AromaticContact ND1-CG 3.33Å; H83-F343 VanDerWaalsContact ND1-CG 3.33Å; H83-F343 WeakPolarHBondContact ND1-CG 3.34Å
84	A	96.3	Very high	94	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-38.9	179.3	0	0	0	0	0	112	M80 M81 V82 E87 I88 E392 V395	M80-A84 WeakPolarHBondContact O-CB 3.45Å; M80-A84 PolarHBondContact O-N 3.43Å; M81-A84 PolarHBondContact O-N 3.26Å; V82-A84 PolarHBondContact O-N 3.49Å; A84-E87 PolarHBondContact O-N 3.05Å; A84-I88 WeakPolarHBondContact O-CG1 3.47Å; A84-I88 PolarHBondContact O-N 3.47Å; A84-I88 VanDerWaalsContact O-N 3.07Å; A84-E392 HydrophobicContact CB-CB 4.44Å; A84-E392 HydrophobicContact CB-CG 4.3Å; A84-V395 HydrophobicContact CB-CB 3.9Å; A84-V395 HydrophobicContact CB-CG1 4.01Å; A84-V395 HydrophobicContact CB-CG2 3.9Å
85	V	96.1	Very high	93.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-45.5	174.4	165.9	0	0	0	0	111	I37 M81 V82 H83 E87 I88 N89 L99 F101 V395	I37-V85 HydrophobicContact CD1-CG2 4.18Å; M81-V85 WeakPolarHBondContact O-CG2 3.43Å; M81-V85 PolarHBondContact O-N 3.37Å; V82-V85 PolarHBondContact O-N 3.25Å; H83-V85 VanDerWaalsContact C-N 3.34Å; H83-V85 PolarHBondContact O-N 3.5Å; V85-E87 VanDerWaalsContact C-N 3.35Å; V85-E87 PolarHBondContact O-N 3.37Å; V85-I88 PolarHBondContact O-N 3.34Å; V85-N89 PolarHBondContact O-N 3.06Å; V85-L99 HydrophobicContact CG1-CB 3.96Å; V85-L99 VanDerWaalsContact CG1-O 3.28Å; V85-L99 WeakPolarHBondContact CG1-O 3.16Å; V85-F101 HydrophobicContact CG1-CD1 4.24Å; V85-V395 HydrophobicContact CG2-CG1 3.97Å; V85-V395 HydrophobicContact CG2-CG2 4.31Å
86	E	94	Very high	93.8	Very high	42 Å²	42	37.2 Å²	37.2	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-39.6	175.7	-74.6	-173.4	-164.4	0	0	112.7	V82 H83 N89 R90 F343	V82-E86 PolarHBondContact O-N 3.04Å; H83-E86 PolarHBondContact O-N 3.5Å; E86-N89 PolarHBondContact O-N 3.14Å; E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 VanDerWaalsContact O-CG 3.27Å; E86-R90 WeakPolarHBondContact O-CG 3.43Å; E86-R90 PolarHBondContact O-N 3.35Å; E86-R90 IonicContact OE2-CZ 2.8Å; E86-R90 IonicContact OE2-NH1 2.83Å; E86-R90 PolarHBondContact OE2-NH1 3.22Å; E86-R90 IonicContact OE2-NH2 2.71Å; E86-R90 PolarHBondContact OE2-NH2 3.42Å; E86-F343 WeakPolarHBondContact OE2-CE2 3.13Å
87	E	94.3	Very high	93.7	Very high	44 Å²	44	38.3 Å²	38.3	21%	0.206	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-42.9	177.8	-173.2	171.4	174.2	0	0	111.2	H83 A84 V85 R90 S91 K339 R396	H83-E87 IonicContact NE2-OE2 2.86Å; H83-E87 PolarHBondContact O-N 2.92Å; A84-E87 PolarHBondContact O-N 3.05Å; V85-E87 VanDerWaalsContact C-N 3.35Å; V85-E87 PolarHBondContact O-N 3.37Å; E87-R90 PolarHBondContact O-N 3.44Å; E87-S91 WeakPolarHBondContact O-CB 3.47Å; E87-S91 PolarHBondContact O-N 3.4Å; E87-K339 IonicContact OE1-NZ 3.2Å; E87-K339 PolarHBondContact OE1-NZ 2.64Å; E87-K339 IonicContact OE2-NZ 2.7Å; E87-R396 IonicContact OE1-NH2 3.53Å
88	I	95.6	Very high	93.7	Very high	5 Å²	5	41 Å²	41	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-44.6	175.7	-68.2	-62.6	0	0	0	111.7	A84 V85 R90 S91 L94 L99 V395 R396 A399	A84-I88 WeakPolarHBondContact O-CG1 3.47Å; A84-I88 PolarHBondContact O-N 3.47Å; A84-I88 VanDerWaalsContact O-N 3.07Å; V85-I88 PolarHBondContact O-N 3.34Å; I88-R90 PolarHBondContact O-N 3.03Å; I88-S91 PolarHBondContact O-N 3.33Å; I88-S91 PolarHBondContact O-OG 3.49Å; I88-L94 HydrophobicContact CG2-CD1 3.56Å; I88-L94 HydrophobicContact CG2-CG 3.94Å; I88-L99 HydrophobicContact CB-CD1 4.37Å; I88-L99 HydrophobicContact CG2-CD1 3.75Å; I88-L99 HydrophobicContact CG2-CG 4.5Å; I88-V395 HydrophobicContact CG1-CG1 4.18Å; I88-R396 HydrophobicContact CD1-CG 4.33Å; I88-A399 HydrophobicContact CD1-CB 4.09Å; I88-A399 HydrophobicContact CG1-CB 4.19Å; I88-A399 HydrophobicContact CG2-CB 3.8Å
89	N	95.1	Very high	93.6	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-32.2	177.9	-73.1	-19.8	0	0	0	111.8	V85 E86 L99	V85-N89 PolarHBondContact O-N 3.06Å; E86-N89 PolarHBondContact O-N 3.14Å; N89-L99 PolarHBondContact ND2-O 2.88Å; N89-L99 PolarHBondContact OD1-N 2.99Å
90	R	93.8	Very high	93.5	Very high	181 Å²	181	41.1 Å²	41.1	68%	0.683	23%	0.23	S	C	*	.	H	α-helix	trans	-80.4	-22.5	176.8	-72.8	178.3	-173.2	138.3	10.8	113.9	E86 E87 I88 G92	E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 VanDerWaalsContact O-CG 3.27Å; E86-R90 WeakPolarHBondContact O-CG 3.43Å; E86-R90 PolarHBondContact O-N 3.35Å; E86-R90 IonicContact OE2-CZ 2.8Å; E86-R90 IonicContact OE2-NH1 2.83Å; E86-R90 PolarHBondContact OE2-NH1 3.22Å; E86-R90 IonicContact OE2-NH2 2.71Å; E86-R90 PolarHBondContact OE2-NH2 3.42Å; E87-R90 PolarHBondContact O-N 3.44Å; I88-R90 PolarHBondContact O-N 3.03Å; R90-G92 VanDerWaalsContact C-N 3.27Å; R90-G92 PolarHBondContact O-N 3Å
91	S	92.3	Very high	93.4	Very high	53 Å²	53	41.2 Å²	41.2	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-74.1	-19	-177.2	74.1	0	0	0	0	113.4	E87 I88 E93	E87-S91 WeakPolarHBondContact O-CB 3.47Å; E87-S91 PolarHBondContact O-N 3.4Å; I88-S91 PolarHBondContact O-N 3.33Å; I88-S91 PolarHBondContact O-OG 3.49Å; S91-E93 WeakPolarHBondContact CB-OE1 3.4Å; S91-E93 PolarHBondContact O-N 3.38Å; S91-E93 WeakPolarHBondContact OG-CB 3.5Å; S91-E93 WeakPolarHBondContact OG-CG 3.32Å; S91-E93 PolarHBondContact OG-N 3.31Å; S91-E93 PolarHBondContact OG-OE1 2.85Å
92	G	86.4	Confident	93.2	Very high	48 Å²	48	41.3 Å²	41.3	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	6.9	-176.5	0	0	0	0	0	113.9	R90 L94 G95	R90-G92 VanDerWaalsContact C-N 3.27Å; R90-G92 PolarHBondContact O-N 3Å; G92-L94 PolarHBondContact O-N 3.4Å; G92-G95 PolarHBondContact O-N 3.46Å; G92-G95 VanDerWaalsContact O-N 3.15Å
93	E	89.1	Confident	93.2	Very high	90 Å²	90	41.3 Å²	41.3	42%	0.421	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.3	-177	-74.1	173.4	-136.2	0	0	113.9	S91	S91-E93 WeakPolarHBondContact CB-OE1 3.4Å; S91-E93 PolarHBondContact O-N 3.38Å; S91-E93 WeakPolarHBondContact OG-CB 3.5Å; S91-E93 WeakPolarHBondContact OG-CG 3.32Å; S91-E93 PolarHBondContact OG-N 3.31Å; S91-E93 PolarHBondContact OG-OE1 2.85Å
94	L	92.3	Very high	93.1	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	9.8	179	-56.6	-175	0	0	0	113.4	I88 G92 N96 I97 L99 A399 V402 K403	I88-L94 HydrophobicContact CG2-CD1 3.56Å; I88-L94 HydrophobicContact CG2-CG 3.94Å; G92-L94 PolarHBondContact O-N 3.4Å; L94-N96 PolarHBondContact O-N 3.21Å; L94-I97 HydrophobicContact CB-CB 4.32Å; L94-I97 WeakPolarHBondContact CB-O 3.46Å; L94-I97 WeakPolarHBondContact O-CB 3.33Å; L94-I97 PolarHBondContact O-N 2.82Å; L94-I97 VanDerWaalsContact O-N 3.14Å; L94-L99 HydrophobicContact CD1-CD1 3.85Å; L94-L99 HydrophobicContact CD1-CD2 3.86Å; L94-L99 HydrophobicContact CD1-CG 3.61Å; L94-A399 HydrophobicContact CD1-CB 4.45Å; L94-A399 HydrophobicContact CD2-CB 4.32Å; L94-A399 VanDerWaalsContact CD2-O 3.3Å; L94-A399 WeakPolarHBondContact CD2-O 3.32Å; L94-V402 HydrophobicContact CD1-CG1 4.36Å; L94-V402 HydrophobicContact CD2-CB 4.36Å; L94-V402 HydrophobicContact CD2-CG1 4.22Å; L94-K403 HydrophobicContact CD2-CB 4Å
95	G	88.4	Confident	92.8	Very high	51 Å²	51	40.5 Å²	40.5	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-121.2	-176.9	0	0	0	0	0	111.6	G92	G92-G95 PolarHBondContact O-N 3.46Å; G92-G95 VanDerWaalsContact O-N 3.15Å
96	N	89.6	Confident	92.6	Very high	165 Å²	165	40.3 Å²	40.3	88%	0.882	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	2.2	179.3	-66.8	-13.1	0	0	0	113.6	L94	L94-N96 PolarHBondContact O-N 3.21Å
97	I	93	Very high	92.2	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.118	22%	0.216	C	C	.	.			trans	-89.6	130.2	-177.9	-55.7	177.5	0	0	0	109.4	D34 I35 L94 V402 C406 V407 I413	D34-I97 HydrophobicContact CB-CG2 4.09Å; I35-I97 HydrophobicContact CD1-CG2 4.26Å; I35-I97 HydrophobicContact CG1-CG2 4.39Å; L94-I97 HydrophobicContact CB-CB 4.32Å; L94-I97 WeakPolarHBondContact CB-O 3.46Å; L94-I97 WeakPolarHBondContact O-CB 3.33Å; L94-I97 PolarHBondContact O-N 2.82Å; L94-I97 VanDerWaalsContact O-N 3.14Å; I97-V402 HydrophobicContact CD1-CG1 4.41Å; I97-V402 HydrophobicContact CG2-CG1 4Å; I97-C406 HydrophobicContact CD1-CB 3.47Å; I97-C406 VanDerWaalsContact CD1-CB 3.47Å; I97-V407 HydrophobicContact CD1-CG2 4.11Å; I97-I413 HydrophobicContact CD1-CD1 3.93Å; I97-I413 HydrophobicContact CG1-CD1 3.92Å; I97-I413 HydrophobicContact CG2-CD1 4.03Å
98	T	94.2	Very high	91.8	Very high	58 Å²	58	36.7 Å²	36.7	36%	0.356	21%	0.21	S	C	.	.			trans	-108.6	140.7	178.7	58.4	0	0	0	0	112	G33 D34 I35	G33-T98 WeakPolarHBondContact CA-OG1 3.4Å; D34-T98 PolarHBondContact N-O 3.45Å; D34-T98 PolarHBondContact N-OG1 3.09Å; D34-T98 PolarHBondContact OD2-N 2.98Å; D34-T98 PolarHBondContact OD2-OG1 3.03Å; I35-T98 PolarHBondContact N-O 3.45Å; I35-T98 VanDerWaalsContact N-O 3.15Å
99	L	95.3	Very high	91.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.1	171.5	-58.7	-177	0	0	0	109.9	I35 I37 V85 I88 N89 L94 A399 V402	I35-L99 HydrophobicContact CB-CD2 4.04Å; I35-L99 HydrophobicContact CG2-CD2 4.31Å; I37-L99 HydrophobicContact CD1-CB 4.33Å; I37-L99 HydrophobicContact CD1-CD1 4.23Å; V85-L99 HydrophobicContact CG1-CB 3.96Å; V85-L99 VanDerWaalsContact CG1-O 3.28Å; V85-L99 WeakPolarHBondContact CG1-O 3.16Å; I88-L99 HydrophobicContact CB-CD1 4.37Å; I88-L99 HydrophobicContact CG2-CD1 3.75Å; I88-L99 HydrophobicContact CG2-CG 4.5Å; N89-L99 PolarHBondContact ND2-O 2.88Å; N89-L99 PolarHBondContact OD1-N 2.99Å; L94-L99 HydrophobicContact CD1-CD1 3.85Å; L94-L99 HydrophobicContact CD1-CD2 3.86Å; L94-L99 HydrophobicContact CD1-CG 3.61Å; L99-A399 HydrophobicContact CD1-CB 4.22Å; L99-V402 HydrophobicContact CD2-CG2 4.17Å
100	G	94.1	Very high	91.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	170.2	171.7	0	0	0	0	0	111.4	S31 I35 I37	S31-G100 WeakPolarHBondContact O-CA 3.42Å; I35-G100 PolarHBondContact O-N 3.07Å; I37-G100 PolarHBondContact N-O 2.89Å
101	F	93.9	Very high	90.8	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.6	178.8	60.8	-101.3	0	0	0	113.7	K30 S31 M36 I37 M81 V82 V85 I103 L353	K30-F101 WeakPolarHBondContact CA-O 3.25Å; S31-F101 PolarHBondContact N-O 3.48Å; S31-F101 PolarHBondContact O-N 3.39Å; M36-F101 WeakPolarHBondContact CE-O 3.5Å; I37-F101 CarbonylContact O-C 3.51Å; I37-F101 WeakPolarHBondContact O-CA 3.26Å; M81-F101 HydrophobicContact CE-CB 3.89Å; V82-F101 HydrophobicContact CB-CE1 4.29Å; V82-F101 HydrophobicContact CB-CZ 4.37Å; V82-F101 HydrophobicContact CG1-CE1 3.9Å; V82-F101 HydrophobicContact CG1-CZ 3.96Å; V82-F101 HydrophobicContact CG2-CE1 3.96Å; V82-F101 HydrophobicContact CG2-CE2 4Å; V82-F101 HydrophobicContact CG2-CZ 3.68Å; V85-F101 HydrophobicContact CG1-CD1 4.24Å; F101-I103 HydrophobicContact CD2-CD1 3.87Å; F101-I103 HydrophobicContact CD2-CG1 4.03Å; F101-I103 HydrophobicContact CE2-CD1 4.23Å; F101-L353 HydrophobicContact CZ-CD1 4.36Å
102	H	93.4	Very high	90.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	101.5	169.4	-179.6	-171	0	0	0	109.1	E28 K30 M36 I37 G38 G39 M104 F120 M123	E28-H102 IonicContact OE2-CE1 2.66Å; E28-H102 IonicContact OE2-NE2 2.74Å; E28-H102 PolarHBondContact OE2-NE2 3.28Å; K30-H102 WeakPolarHBondContact CE-CD2 3.33Å; K30-H102 WeakPolarHBondContact CE-CE1 3.43Å; K30-H102 WeakPolarHBondContact CE-NE2 3.29Å; K30-H102 HydrophobicContact CG-CB 4.31Å; M36-H102 HydrophobicContact CE-CB 4.39Å; I37-H102 PolarHBondContact O-N 3.41Å; G38-H102 CarbonylContact C-O 2.97Å; G38-H102 WeakPolarHBondContact CA-O 3.44Å; G39-H102 PolarHBondContact N-O 3.25Å; H102-M104 PolarHBondContact NE2-SD 3.42Å; H102-F120 HydrophobicContact CB-CE1 4.38Å; H102-F120 AromaticContact CG-CE1 3.97Å; H102-F120 AromaticContact ND1-CD1 3.85Å; H102-F120 AromaticContact ND1-CE1 3.92Å; H102-F120 VanDerWaalsContact O-CE1 3.24Å; H102-F120 WeakPolarHBondContact O-CE1 3.3Å; H102-M123 WeakPolarHBondContact ND1-CE 3.39Å
103	I	94.6	Very high	90.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132	-177.1	-63.4	167.9	0	0	0	110.1	E28 A29 G39 F41 M81 V82 F101 F359	E28-I103 WeakPolarHBondContact CA-O 3.37Å; A29-I103 HydrophobicContact CB-CB 4.18Å; A29-I103 PolarHBondContact N-O 3.06Å; A29-I103 PolarHBondContact O-N 3.43Å; G39-I103 CarbonylContact O-C 3.41Å; G39-I103 VanDerWaalsContact O-CA 3.32Å; G39-I103 WeakPolarHBondContact O-CA 3.35Å; F41-I103 HydrophobicContact CD2-CG2 3.99Å; M81-I103 HydrophobicContact SD-CD1 4.49Å; M81-I103 HydrophobicContact SD-CG1 4.34Å; V82-I103 HydrophobicContact CG2-CD1 3.81Å; F101-I103 HydrophobicContact CD2-CD1 3.87Å; F101-I103 HydrophobicContact CD2-CG1 4.03Å; F101-I103 HydrophobicContact CE2-CD1 4.23Å; I103-F359 HydrophobicContact CG2-CE2 4.41Å
104	M	92.6	Very high	91	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.4	176.4	-60.2	-69.8	-69.8	0	0	109.9	N26 E28 G39 L40 F41 H102 N116 F120	N26-M104 HydrophobicContact CB-CE 4.08Å; E28-M104 HydrophobicContact CB-SD 3.73Å; G39-M104 PolarHBondContact O-N 3.25Å; L40-M104 WeakPolarHBondContact CA-O 3.33Å; L40-M104 HydrophobicContact CD1-CB 4.2Å; F41-M104 PolarHBondContact N-O 3.12Å; F41-M104 VanDerWaalsContact N-O 3.15Å; H102-M104 PolarHBondContact NE2-SD 3.42Å; M104-N116 HydrophobicContact CB-CB 4.01Å; M104-N116 HydrophobicContact CE-CB 3.76Å; M104-N116 VanDerWaalsContact CE-CG 3.5Å; M104-N116 WeakPolarHBondContact CE-OD1 3.27Å; M104-N116 HydrophobicContact CG-CB 4.46Å; M104-F120 HydrophobicContact CB-CE1 4.37Å; M104-F120 HydrophobicContact CB-CZ 3.85Å; M104-F120 HydrophobicContact CG-CE1 3.53Å; M104-F120 HydrophobicContact CG-CZ 3.51Å
105	D	91	Very high	90.8	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.053	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.9	176.4	-166.7	-3.7	0	0	0	111.4	F41 I43 H44 C107 N116 F359	F41-D105 CarbonylContact O-C 3.58Å; F41-D105 VanDerWaalsContact O-CA 3.31Å; F41-D105 WeakPolarHBondContact O-CA 3.26Å; I43-D105 PolarHBondContact N-OD1 3.25Å; H44-D105 IonicContact CE1-OD2 3.28Å; H44-D105 IonicContact CG-OD2 2.63Å; H44-D105 PolarHBondContact N-OD1 3.01Å; H44-D105 PolarHBondContact N-OD2 3.26Å; H44-D105 IonicContact ND1-OD2 3.28Å; H44-D105 PolarHBondContact ND1-OD2 2.85Å; D105-C107 VanDerWaalsContact CG-SG 3.52Å; D105-C107 PolarHBondContact OD1-N 3.43Å; D105-C107 PolarHBondContact OD2-SG 3.46Å; D105-C107 VanDerWaalsContact OD2-SG 3.41Å; D105-N116 PolarHBondContact O-ND2 3Å; D105-F359 HydrophobicContact CB-CE1 3.95Å; D105-F359 HydrophobicContact CB-CZ 4.04Å
106	S	91.1	Very high	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.			trans	-93.6	-14.7	170.7	63.6	0	0	0	0	114	F41 P42 A108 D109 D146	F41-S106 PolarHBondContact O-N 2.8Å; P42-S106 WeakPolarHBondContact CA-OG 3.39Å; P42-S106 WeakPolarHBondContact CB-OG 3.39Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A108 VanDerWaalsContact O-N 3.14Å; S106-D109 PolarHBondContact O-N 3.36Å; S106-D109 VanDerWaalsContact O-O 3.12Å; S106-D146 WeakPolarHBondContact CB-OD2 3.41Å; S106-D146 PolarHBondContact OG-OD2 3.41Å
107	C	86	Confident	90.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	24.2	-177.7	-54.1	0	0	0	0	114.6	H44 V47 C53 D105 D109 T112	H44-C107 HydrophobicContact CB-CB 4.37Å; H44-C107 CarbonylContact O-C 3.55Å; H44-C107 WeakPolarHBondContact O-CA 3.12Å; V47-C107 HydrophobicContact CG1-CB 3.82Å; C53-C107 HydrophobicContact CB-CB 4.03Å; C53-C107 WeakPolarHBondContact CB-SG 3.49Å; C53-C107 WeakPolarHBondContact SG-CB 3.05Å; C53-C107 CovalentContact SG-SG 2.02Å; C53-C107 PolarHBondContact SG-SG 2.91Å; D105-C107 VanDerWaalsContact CG-SG 3.52Å; D105-C107 PolarHBondContact OD1-N 3.43Å; D105-C107 PolarHBondContact OD2-SG 3.46Å; D105-C107 VanDerWaalsContact OD2-SG 3.41Å; C107-D109 PolarHBondContact O-N 3.48Å; C107-T112 HydrophobicContact CB-CG2 4.03Å
108	A	85.9	Confident	90.6	Very high	9 Å²	9	24.9 Å²	24.9	7%	0.074	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	29.3	-171.1	0	0	0	0	0	113.4	P42 H44 S106 Y148 I151	P42-A108 HydrophobicContact CB-CB 4.13Å; H44-A108 PolarHBondContact O-N 3.44Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A108 VanDerWaalsContact O-N 3.14Å; A108-Y148 HydrophobicContact CB-CD2 4.12Å; A108-Y148 HydrophobicContact CB-CE2 3.72Å; A108-I151 VanDerWaalsContact C-CD1 3.43Å
109	D	86.4	Confident	90.1	Very high	19 Å²	19	23.2 Å²	23.2	10%	0.102	12%	0.121	C	C	.	.			trans	-129.3	133	-176.5	168.6	59	0	0	0	111	V47 S106 C107 T111 T112 A113	V47-D109 HydrophobicContact CB-CB 4.49Å; V47-D109 HydrophobicContact CG1-CB 3.61Å; V47-D109 HydrophobicContact CG2-CB 4.05Å; S106-D109 PolarHBondContact O-N 3.36Å; S106-D109 VanDerWaalsContact O-O 3.12Å; C107-D109 PolarHBondContact O-N 3.48Å; D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 3.12Å; D109-T111 WeakPolarHBondContact OD2-CB 3.29Å; D109-T111 PolarHBondContact OD2-N 3.43Å; D109-T112 WeakPolarHBondContact OD2-CB 3.39Å; D109-T112 PolarHBondContact OD2-N 2.99Å; D109-T112 PolarHBondContact OD2-OG1 3.26Å; D109-A113 VanDerWaalsContact O-CB 3.25Å; D109-A113 WeakPolarHBondContact O-CB 3.32Å; D109-A113 PolarHBondContact O-N 3.31Å
110	V	89.5	Confident	89.7	Confident	46 Å²	46	23.2 Å²	23.2	28%	0.279	12%	0.121	S	C	.	.	H	α-helix	trans	-62.7	-41.9	-176.9	174.3	0	0	0	0	111.5	A113 L114 I151 A154	V110-A113 PolarHBondContact O-N 2.87Å; V110-L114 HydrophobicContact CG1-CD1 4.07Å; V110-L114 HydrophobicContact CG1-CG 4.49Å; V110-L114 WeakPolarHBondContact O-CB 3.36Å; V110-L114 VanDerWaalsContact O-CG 3.3Å; V110-L114 WeakPolarHBondContact O-CG 3.45Å; V110-L114 PolarHBondContact O-N 2.8Å; V110-I151 HydrophobicContact CG2-CG1 4.22Å; V110-A154 HydrophobicContact CG1-CB 3.53Å
111	T	88.1	Confident	89.2	Confident	88 Å²	88	23.8 Å²	23.8	54%	0.54	12%	0.124	S	C	.	.	H	α-helix	trans	-67.9	-44.1	-174.7	-54.8	0	0	0	0	111	D109 L114 R115	D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 3.12Å; D109-T111 WeakPolarHBondContact OD2-CB 3.29Å; D109-T111 PolarHBondContact OD2-N 3.43Å; T111-L114 PolarHBondContact O-N 3.07Å; T111-R115 PolarHBondContact O-N 3.49Å
112	T	86.9	Confident	88.1	Confident	8 Å²	8	29.1 Å²	29.1	5%	0.049	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-47.5	177.2	-57.8	0	0	0	0	111	C53 C107 D109 L114 R115 N116	C53-T112 WeakPolarHBondContact SG-CG2 3.44Å; C107-T112 HydrophobicContact CB-CG2 4.03Å; D109-T112 WeakPolarHBondContact OD2-CB 3.39Å; D109-T112 PolarHBondContact OD2-N 2.99Å; D109-T112 PolarHBondContact OD2-OG1 3.26Å; T112-L114 VanDerWaalsContact C-N 3.32Å; T112-L114 PolarHBondContact O-N 2.85Å; T112-R115 WeakPolarHBondContact O-CB 3.37Å; T112-R115 PolarHBondContact O-N 3.22Å; T112-R115 VanDerWaalsContact O-N 3.13Å; T112-N116 PolarHBondContact O-N 2.87Å
113	A	92.1	Very high	86.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-45.9	177	0	0	0	0	0	112.1	L40 D109 V110 N116 T117 I151 V155	L40-A113 HydrophobicContact CD2-CB 4.22Å; D109-A113 VanDerWaalsContact O-CB 3.25Å; D109-A113 WeakPolarHBondContact O-CB 3.32Å; D109-A113 PolarHBondContact O-N 3.31Å; V110-A113 PolarHBondContact O-N 2.87Å; A113-N116 PolarHBondContact O-N 2.73Å; A113-T117 WeakPolarHBondContact O-CB 3.33Å; A113-T117 PolarHBondContact O-N 3.24Å; A113-T117 PolarHBondContact O-OG1 3.45Å; A113-I151 HydrophobicContact CB-CG2 3.35Å; A113-V155 HydrophobicContact CB-CG2 3.89Å
114	L	91.9	Very high	84.4	Confident	55 Å²	55	31.3 Å²	31.3	29%	0.288	16%	0.158	S	C	.	.	H	α-helix	trans	-62.4	-44.5	175.8	-73.3	174.7	0	0	0	112.1	V110 T111 T112 N116 T117 L118 A154 H158	V110-L114 HydrophobicContact CG1-CD1 4.07Å; V110-L114 HydrophobicContact CG1-CG 4.49Å; V110-L114 WeakPolarHBondContact O-CB 3.36Å; V110-L114 VanDerWaalsContact O-CG 3.3Å; V110-L114 WeakPolarHBondContact O-CG 3.45Å; V110-L114 PolarHBondContact O-N 2.8Å; T111-L114 PolarHBondContact O-N 3.07Å; T112-L114 VanDerWaalsContact C-N 3.32Å; T112-L114 PolarHBondContact O-N 2.85Å; L114-N116 VanDerWaalsContact C-N 3.3Å; L114-N116 PolarHBondContact O-N 2.85Å; L114-T117 WeakPolarHBondContact O-CB 3.44Å; L114-T117 PolarHBondContact O-N 2.78Å; L114-L118 PolarHBondContact O-N 3.41Å; L114-A154 HydrophobicContact CD1-CB 4.3Å; L114-A154 HydrophobicContact CD2-CB 4.12Å; L114-A154 WeakPolarHBondContact CD2-O 3.07Å; L114-A154 HydrophobicContact CG-CB 4.26Å; L114-H158 HydrophobicContact CD2-CB 3.95Å
115	R	88.9	Confident	82.3	Confident	140 Å²	140	36.4 Å²	36.4	53%	0.528	19%	0.185	S	C	.	.	H	α-helix	trans	-59.3	-42.2	176.8	-176.2	-175.2	-65.9	165.6	2.9	111.6	T111 T112 L118	T111-R115 PolarHBondContact O-N 3.49Å; T112-R115 WeakPolarHBondContact O-CB 3.37Å; T112-R115 PolarHBondContact O-N 3.22Å; T112-R115 VanDerWaalsContact O-N 3.13Å; R115-L118 WeakPolarHBondContact O-CB 3.48Å; R115-L118 PolarHBondContact O-N 3.11Å
116	N	88.9	Confident	80.3	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-77	-30.3	-178.9	-74.7	-11.6	0	0	0	112.3	L40 M104 D105 T112 A113 L114 L118 S119	L40-N116 HydrophobicContact CD1-CB 4.44Å; M104-N116 HydrophobicContact CB-CB 4.01Å; M104-N116 HydrophobicContact CE-CB 3.76Å; M104-N116 VanDerWaalsContact CE-CG 3.5Å; M104-N116 WeakPolarHBondContact CE-OD1 3.27Å; M104-N116 HydrophobicContact CG-CB 4.46Å; D105-N116 PolarHBondContact O-ND2 3Å; T112-N116 PolarHBondContact O-N 2.87Å; A113-N116 PolarHBondContact O-N 2.73Å; L114-N116 VanDerWaalsContact C-N 3.3Å; L114-N116 PolarHBondContact O-N 2.85Å; N116-L118 PolarHBondContact O-N 3.5Å; N116-S119 WeakPolarHBondContact O-CB 3.48Å; N116-S119 PolarHBondContact O-N 3.06Å; N116-S119 PolarHBondContact O-OG 3.12Å
117	T	91.1	Very high	78.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-34.9	171	-58.8	0	0	0	0	111.9	A113 L114 S119 F120 M121 V155 H158 L159	A113-T117 WeakPolarHBondContact O-CB 3.33Å; A113-T117 PolarHBondContact O-N 3.24Å; A113-T117 PolarHBondContact O-OG1 3.45Å; L114-T117 WeakPolarHBondContact O-CB 3.44Å; L114-T117 PolarHBondContact O-N 2.78Å; T117-S119 PolarHBondContact O-N 3.38Å; T117-S119 VanDerWaalsContact O-N 3.11Å; T117-F120 WeakPolarHBondContact O-CB 3.42Å; T117-F120 PolarHBondContact O-N 3.42Å; T117-M121 HydrophobicContact CG2-SD 4.22Å; T117-M121 PolarHBondContact O-N 3.24Å; T117-V155 HydrophobicContact CG2-CG1 4.17Å; T117-H158 HydrophobicContact CG2-CB 4.48Å; T117-L159 HydrophobicContact CG2-CD2 3.56Å; T117-L159 HydrophobicContact CG2-CG 3.8Å
118	L	86.9	Confident	76.2	Confident	67 Å²	67	51.4 Å²	51.4	35%	0.351	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-26.7	172.9	-70.5	166.5	0	0	0	112.6	L114 R115 N116 F120 M121 K122 H158	L114-L118 PolarHBondContact O-N 3.41Å; R115-L118 WeakPolarHBondContact O-CB 3.48Å; R115-L118 PolarHBondContact O-N 3.11Å; N116-L118 PolarHBondContact O-N 3.5Å; L118-F120 VanDerWaalsContact C-N 3.3Å; L118-M121 PolarHBondContact O-N 3.34Å; L118-K122 WeakPolarHBondContact O-CB 3.45Å; L118-K122 WeakPolarHBondContact O-CG 3.27Å; L118-K122 PolarHBondContact O-N 3.15Å; L118-H158 WeakPolarHBondContact CD2-NE2 3.27Å
119	S	84.3	Confident	74.1	Confident	24 Å²	24	52.9 Å²	52.9	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-69.3	-31.6	177.7	-52.7	0	0	0	0	111.9	N116 T117	N116-S119 WeakPolarHBondContact O-CB 3.48Å; N116-S119 PolarHBondContact O-N 3.06Å; N116-S119 PolarHBondContact O-OG 3.12Å; T117-S119 PolarHBondContact O-N 3.38Å; T117-S119 VanDerWaalsContact O-N 3.11Å
120	F	86.3	Confident	71.9	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-71.3	-41.1	172.8	-52.2	-38.6	0	0	0	111.1	G39 L40 H102 M104 T117 L118 V140 V143	G39-F120 WeakPolarHBondContact O-CZ 3.48Å; L40-F120 HydrophobicContact CB-CE2 4.38Å; L40-F120 HydrophobicContact CD1-CE2 4.48Å; H102-F120 HydrophobicContact CB-CE1 4.38Å; H102-F120 AromaticContact CG-CE1 3.97Å; H102-F120 AromaticContact ND1-CD1 3.85Å; H102-F120 AromaticContact ND1-CE1 3.92Å; H102-F120 VanDerWaalsContact O-CE1 3.24Å; H102-F120 WeakPolarHBondContact O-CE1 3.3Å; M104-F120 HydrophobicContact CB-CE1 4.37Å; M104-F120 HydrophobicContact CB-CZ 3.85Å; M104-F120 HydrophobicContact CG-CE1 3.53Å; M104-F120 HydrophobicContact CG-CZ 3.51Å; T117-F120 WeakPolarHBondContact O-CB 3.42Å; T117-F120 PolarHBondContact O-N 3.42Å; L118-F120 VanDerWaalsContact C-N 3.3Å; F120-V140 HydrophobicContact CB-CB 4.17Å; F120-V140 HydrophobicContact CB-CG1 4.2Å; F120-V140 HydrophobicContact CB-CG2 4.11Å; F120-V140 HydrophobicContact CD1-CG2 4.15Å; F120-V140 HydrophobicContact CG-CG2 4.5Å; F120-V143 HydrophobicContact CD2-CG1 4.4Å; F120-V143 HydrophobicContact CD2-CG2 3.9Å; F120-V143 HydrophobicContact CE2-CG1 4.18Å; F120-V143 HydrophobicContact CE2-CG2 4.44Å; F120-V143 HydrophobicContact CG-CG2 4.37Å
121	M	83	Confident	69.3	Low	12 Å²	12	63 Å²	63	6%	0.059	35%	0.346	C	S	.	.	H	α-helix	trans	-76.8	-34.2	-178.4	-62.9	170.6	73.9	0	0	113.3	T117 L118 M123 N124 L125 H158 L159 L161 E162 I164	T117-M121 HydrophobicContact CG2-SD 4.22Å; T117-M121 PolarHBondContact O-N 3.24Å; L118-M121 PolarHBondContact O-N 3.34Å; M121-M123 PolarHBondContact O-N 3.31Å; M121-N124 WeakPolarHBondContact O-CB 3.4Å; M121-N124 PolarHBondContact O-N 3.18Å; M121-L125 PolarHBondContact O-N 3.34Å; M121-H158 VanDerWaalsContact CE-O 3.23Å; M121-H158 WeakPolarHBondContact CE-O 3.26Å; M121-H158 PolarHBondContact SD-CD2 3.43Å; M121-H158 PolarHBondContact SD-NE2 3.22Å; M121-H158 VanDerWaalsContact SD-NE2 3.38Å; M121-L159 HydrophobicContact CG-CD2 4.29Å; M121-L161 HydrophobicContact CE-CB 4.11Å; M121-L161 HydrophobicContact CE-CD1 4.47Å; M121-E162 HydrophobicContact CB-CG 4.47Å; M121-E162 HydrophobicContact CE-CB 4.31Å; M121-E162 HydrophobicContact CE-CG 3.49Å; M121-E162 VanDerWaalsContact CE-CG 3.49Å; M121-E162 HydrophobicContact CG-CG 4.33Å; M121-I164 HydrophobicContact CG-CD1 4.14Å
122	K	70.9	Confident	67	Low	121 Å²	121	64.4 Å²	64.4	53%	0.526	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-30.9	175.7	-81.6	174.7	-179.4	-178	0	112.4	L118 N124 L125 L126	L118-K122 WeakPolarHBondContact O-CB 3.45Å; L118-K122 WeakPolarHBondContact O-CG 3.27Å; L118-K122 PolarHBondContact O-N 3.15Å; K122-N124 PolarHBondContact O-N 2.99Å; K122-L125 PolarHBondContact O-N 3.33Å; K122-L126 PolarHBondContact O-N 3.07Å; K122-L126 VanDerWaalsContact O-N 3.09Å
123	M	57.3	Low	64.7	Low	29 Å²	29	72.5 Å²	72.5	14%	0.143	40%	0.396	C	S	.	.	H	α-helix	trans	-66.3	-27.6	173.4	-68.9	-142	-123.1	0	0	112.4	H102 M121 A127 R137	H102-M123 WeakPolarHBondContact ND1-CE 3.39Å; M121-M123 PolarHBondContact O-N 3.31Å; M123-A127 PolarHBondContact O-N 2.96Å; M123-R137 HydrophobicContact SD-CB 4.31Å
124	N	52.9	Low	62.3	Low	18 Å²	18	79.5 Å²	79.5	10%	0.096	43%	0.428	C	S	.	.	H	α-helix	trans	-78.8	-34.4	175.9	-63.9	6.6	0	0	0	112	M121 K122 P139 V140 I164	M121-N124 WeakPolarHBondContact O-CB 3.4Å; M121-N124 PolarHBondContact O-N 3.18Å; K122-N124 PolarHBondContact O-N 2.99Å; N124-P139 WeakPolarHBondContact OD1-CA 3.29Å; N124-P139 WeakPolarHBondContact OD1-CB 3.49Å; N124-V140 PolarHBondContact OD1-N 3.09Å; N124-I164 WeakPolarHBondContact ND2-CD1 3.47Å
125	L	49.7	Very low	60	Low	109 Å²	109	81.8 Å²	81.8	57%	0.571	45%	0.448	S	S	*	.	H	α-helix	trans	-71.1	-36.7	176.7	-71.7	164.4	0	0	0	112.9	M121 K122 N128	M121-L125 PolarHBondContact O-N 3.34Å; K122-L125 PolarHBondContact O-N 3.33Å; L125-N128 PolarHBondContact O-N 2.97Å
126	L	48.1	Very low	58.2	Low	113 Å²	113	81.1 Å²	81.1	59%	0.592	46%	0.462	S	S	*	.	H	α-helix	trans	-78.5	-20	177.6	-70.7	170.2	0	0	0	113.5	K122 N128 G129	K122-L126 PolarHBondContact O-N 3.07Å; K122-L126 VanDerWaalsContact O-N 3.09Å; L126-N128 PolarHBondContact O-N 2.81Å; L126-G129 PolarHBondContact O-N 3.46Å
127	A	48.2	Very low	56.8	Low	55 Å²	55	87.6 Å²	87.6	46%	0.455	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.6	171.2	0	0	0	0	0	112.7	M123	M123-A127 PolarHBondContact O-N 2.96Å
128	N	43.2	Very low	55.7	Low	157 Å²	157	89.8 Å²	89.8	84%	0.84	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-2.4	177.1	-75.5	-19.7	0	0	0	114	L125 L126	L125-N128 PolarHBondContact O-N 2.97Å; L126-N128 PolarHBondContact O-N 2.81Å
129	G	41.6	Very low	55.3	Low	40 Å²	40	88 Å²	88	41%	0.412	49%	0.492	S	S	.	.	S	Bend	trans	-109.4	126.8	-175.5	0	0	0	0	0	112.5	L126 D131	L126-G129 PolarHBondContact O-N 3.46Å; G129-D131 VanDerWaalsContact C-N 3.31Å; G129-D131 PolarHBondContact O-N 2.96Å
130	T	39.8	Very low	55.5	Low	148 Å²	148	86.8 Å²	86.8	91%	0.908	48%	0.484	S	S	*	.			trans	-70	82.2	170.5	50.6	0	0	0	0	110.5
131	D	35.8	Very low	55.7	Low	128 Å²	128	87.2 Å²	87.2	68%	0.684	49%	0.487	S	S	*	.			trans	-115	113.8	164.2	-162.5	8.5	0	0	0	110.5	G129 Q133	G129-D131 VanDerWaalsContact C-N 3.31Å; G129-D131 PolarHBondContact O-N 2.96Å; D131-Q133 PolarHBondContact O-N 3.34Å
132	C	39.7	Very low	56.3	Low	118 Å²	118	86.7 Å²	86.7	80%	0.797	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	81.8	-172.2	-66.3	0	0	0	0	109.6
133	Q	37.3	Very low	57.5	Low	179 Å²	179	81 Å²	81	84%	0.836	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.9	-8.8	152.8	-115.6	175.3	28.8	0	0	116.5	D131	D131-Q133 PolarHBondContact O-N 3.34Å
134	H	43.3	Very low	59.5	Low	147 Å²	147	79.6 Å²	79.6	68%	0.681	45%	0.453	S	S	*	.	S	Bend	trans	-127.8	132.3	175.7	-73.2	18	0	0	0	109.5
135	S	42.6	Very low	61.5	Low	102 Å²	102	78.7 Å²	78.7	71%	0.713	45%	0.448	S	S	*	.			trans	-48.9	138	178.6	-55.2	0	0	0	0	111	R137	S135-R137 PolarHBondContact O-N 2.89Å
136	P	52.3	Low	63.6	Low	127 Å²	127	73.5 Å²	73.5	83%	0.825	42%	0.421	S	S	*	.			trans	-59.6	113.3	178.2	23.4	-31.2	0	0	0	108.7
137	R	59.1	Low	65.8	Low	146 Å²	146	68.5 Å²	68.5	55%	0.551	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-88.9	142.6	176.8	-68.2	-179.1	-177.4	152.6	-1.2	108.9	M123 S135	M123-R137 HydrophobicContact SD-CB 4.31Å; S135-R137 PolarHBondContact O-N 2.89Å
138	P	67.1	Low	68	Low	46 Å²	46	66.7 Å²	66.7	30%	0.299	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-59.6	138.9	177.4	12.3	-19	0	0	0	111.5	G33 M36	G33-P138 WeakPolarHBondContact O-CG 3.27Å; M36-P138 HydrophobicContact CG-CB 4.03Å; M36-P138 HydrophobicContact CG-CG 3.71Å; M36-P138 HydrophobicContact SD-CG 4.42Å
139	P	78.5	Confident	70.5	Confident	28 Å²	28	59.3 Å²	59.3	18%	0.182	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-63.3	152.2	179	25.3	-33.4	0	0	0	112.1	N124 T141	N124-P139 WeakPolarHBondContact OD1-CA 3.29Å; N124-P139 WeakPolarHBondContact OD1-CB 3.49Å; P139-T141 PolarHBondContact O-N 3.48Å; P139-T141 PolarHBondContact O-OG1 2.91Å
140	V	88	Confident	73	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	116	173.3	173.9	0	0	0	0	108.5	F120 N124 A142 V143	F120-V140 HydrophobicContact CB-CB 4.17Å; F120-V140 HydrophobicContact CB-CG1 4.2Å; F120-V140 HydrophobicContact CB-CG2 4.11Å; F120-V140 HydrophobicContact CD1-CG2 4.15Å; F120-V140 HydrophobicContact CG-CG2 4.5Å; N124-V140 PolarHBondContact OD1-N 3.09Å; V140-A142 WeakPolarHBondContact CG1-O 3.37Å; V140-V143 HydrophobicContact CG1-CG2 3.98Å
141	T	90.4	Very high	75.6	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-30.5	-171.8	-51.6	0	0	0	0	112.4	I35 M36 P139 P165 L416 F421	I35-T141 HydrophobicContact CG2-CG2 4.44Å; M36-T141 PolarHBondContact O-N 3.42Å; P139-T141 PolarHBondContact O-N 3.48Å; P139-T141 PolarHBondContact O-OG1 2.91Å; T141-P165 VanDerWaalsContact O-CD 3.28Å; T141-P165 WeakPolarHBondContact O-CD 3.47Å; T141-L416 HydrophobicContact CG2-CD2 4.21Å; T141-F421 HydrophobicContact CG2-CB 3.75Å; T141-F421 HydrophobicContact CG2-CD1 3.73Å; T141-F421 HydrophobicContact CG2-CD2 3.66Å; T141-F421 HydrophobicContact CG2-CE1 4.26Å; T141-F421 HydrophobicContact CG2-CE2 4.18Å; T141-F421 HydrophobicContact CG2-CG 3.41Å; T141-F421 VanDerWaalsContact CG2-CG 3.41Å; T141-F421 HydrophobicContact CG2-CZ 4.47Å
142	A	95.6	Very high	78.5	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156	176	0	0	0	0	0	109.9	G38 V140 P165 I398 F421	G38-A142 PolarHBondContact N-O 3.22Å; V140-A142 WeakPolarHBondContact CG1-O 3.37Å; A142-P165 WeakPolarHBondContact CA-O 3.42Å; A142-P165 HydrophobicContact CB-CG 3.95Å; A142-I398 HydrophobicContact CB-CD1 3.93Å; A142-I398 HydrophobicContact CB-CG1 4.34Å; A142-F421 HydrophobicContact CB-CD1 4.32Å; A142-F421 HydrophobicContact CB-CE1 3.96Å
143	V	97.6	Very high	81.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.5	176.6	177.6	0	0	0	0	109.9	G38 L40 F120 V140 L159 I164 P165 Q166 I167	G38-V143 CarbonylContact O-C 3.53Å; G38-V143 WeakPolarHBondContact O-CA 3.03Å; L40-V143 HydrophobicContact CB-CG1 4.42Å; F120-V143 HydrophobicContact CD2-CG1 4.4Å; F120-V143 HydrophobicContact CD2-CG2 3.9Å; F120-V143 HydrophobicContact CE2-CG1 4.18Å; F120-V143 HydrophobicContact CE2-CG2 4.44Å; F120-V143 HydrophobicContact CG-CG2 4.37Å; V140-V143 HydrophobicContact CG1-CG2 3.98Å; V143-L159 HydrophobicContact CB-CD1 3.93Å; V143-L159 HydrophobicContact CG1-CD1 4.28Å; V143-L159 HydrophobicContact CG2-CD1 3.92Å; V143-L159 HydrophobicContact CG2-CD2 4.02Å; V143-I164 HydrophobicContact CG2-CG2 4.04Å; V143-P165 PolarHBondContact N-O 3.33Å; V143-Q166 CarbonylContact O-C 3.52Å; V143-Q166 VanDerWaalsContact O-CA 3.3Å; V143-Q166 WeakPolarHBondContact O-CA 3.36Å; V143-I167 PolarHBondContact O-N 3.46Å
144	I	98.5	Very high	84	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.1	168.8	-62.4	178.3	0	0	0	109	I37 G38 G39 L40 F41 M81 I167 Y169 A394 V395 I398	I37-I144 HydrophobicContact CG2-CD1 4.05Å; I37-I144 HydrophobicContact CG2-CG1 4Å; G38-I144 PolarHBondContact O-N 3.43Å; G39-I144 CarbonylContact C-O 3.54Å; G39-I144 WeakPolarHBondContact CA-O 2.88Å; L40-I144 PolarHBondContact N-O 3.41Å; F41-I144 HydrophobicContact CZ-CG2 4.3Å; M81-I144 HydrophobicContact CE-CD1 4.25Å; M81-I144 HydrophobicContact CG-CD1 4.33Å; M81-I144 HydrophobicContact SD-CB 4.19Å; M81-I144 HydrophobicContact SD-CD1 4.22Å; I144-I167 WeakPolarHBondContact CA-O 3.48Å; I144-Y169 HydrophobicContact CG2-CD1 4.27Å; I144-A394 HydrophobicContact CD1-CB 4.01Å; I144-A394 HydrophobicContact CG1-CB 4.27Å; I144-A394 HydrophobicContact CG2-CB 4.41Å; I144-V395 HydrophobicContact CD1-CG2 3.59Å; I144-I398 HydrophobicContact CD1-CD1 3.93Å; I144-I398 HydrophobicContact CG1-CD1 3.94Å
145	G	94.8	Very high	86.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.1	-179.1	-174.3	0	0	0	0	0	112	L40 Q166 I167	L40-G145 WeakPolarHBondContact O-CA 3.42Å; G145-Q166 VanDerWaalsContact O-CD 3.25Å; G145-Q166 WeakPolarHBondContact O-CG 3.37Å; G145-Q166 PolarHBondContact O-NE2 2.89Å; G145-I167 PolarHBondContact N-O 3.45Å
146	D	94.9	Very high	89.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.			cis	-71.4	175.9	-8.9	-157	-72.8	0	0	0	111.8	L40 S106 Y148 I151 S152 S168	L40-D146 HydrophobicContact CD2-CB 4.49Å; S106-D146 WeakPolarHBondContact CB-OD2 3.41Å; S106-D146 PolarHBondContact OG-OD2 3.41Å; D146-Y148 PolarHBondContact OD1-N 3.49Å; D146-I151 HydrophobicContact CB-CB 4.1Å; D146-I151 HydrophobicContact CB-CG2 3.77Å; D146-I151 WeakPolarHBondContact OD2-CG2 3.23Å; D146-S152 PolarHBondContact O-OG 3.33Å; D146-S168 WeakPolarHBondContact O-CB 3.38Å; D146-S168 PolarHBondContact O-OG 3.32Å
147	Y	94.4	Very high	91.1	Very high	8 Å²	8	21.7 Å²	21.7	3%	0.031	10%	0.1	C	C	.	.	S	Bend	trans	-77.2	-44.5	165.9	178.6	-95.8	0	0	0	112.8	R74 Y169 G170 A171 N306 Y386	R74-Y147 VanDerWaalsContact NH1-CD1 3.28Å; R74-Y147 VanDerWaalsContact NH1-CE2 3.32Å; Y147-Y169 HydrophobicContact CD2-CD2 4.14Å; Y147-Y169 AromaticContact CD2-CE2 3.63Å; Y147-Y169 HydrophobicContact CD2-CE2 3.63Å; Y147-Y169 HydrophobicContact CG-CE2 4.27Å; Y147-G170 CarbonylContact O-C 3.55Å; Y147-G170 VanDerWaalsContact O-O 3.08Å; Y147-A171 WeakPolarHBondContact O-CA 3.42Å; Y147-A171 PolarHBondContact O-N 2.77Å; Y147-N306 WeakPolarHBondContact CE1-OD1 3.42Å; Y147-N306 PolarHBondContact OH-OD1 2.68Å; Y147-Y386 AromaticContact CE2-CE2 3.95Å; Y147-Y386 HydrophobicContact CE2-CE2 3.95Å
148	Y	93.8	Very high	92.7	Very high	16 Å²	16	17 Å²	17	6%	0.063	8%	0.083	C	C	.	.	S	Bend	trans	-79.7	143.3	-174.5	-65	-69.9	0	0	0	111.9	P42 R74 A108 D146 I151 S152	P42-Y148 HydrophobicContact CB-CD2 4.29Å; P42-Y148 HydrophobicContact CB-CE2 3.97Å; P42-Y148 HydrophobicContact CG-CD2 4.21Å; P42-Y148 HydrophobicContact CG-CE2 3.92Å; R74-Y148 PolarHBondContact NH2-OH 3.09Å; A108-Y148 HydrophobicContact CB-CD2 4.12Å; A108-Y148 HydrophobicContact CB-CE2 3.72Å; D146-Y148 PolarHBondContact OD1-N 3.49Å; Y148-I151 HydrophobicContact CD2-CD1 3.93Å; Y148-I151 HydrophobicContact CG-CD1 4.4Å; Y148-S152 WeakPolarHBondContact O-CB 3.21Å; Y148-S152 PolarHBondContact O-N 3.18Å; Y148-S152 PolarHBondContact O-OG 2.94Å
149	S	96.1	Very high	94	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-69.5	-42.9	-175.7	-68.5	0	0	0	0	111.9	I151 S152 I153 T172 S173	S149-I151 VanDerWaalsContact C-N 3.3Å; S149-I151 PolarHBondContact O-N 3.41Å; S149-S152 PolarHBondContact O-N 3.06Å; S149-I153 WeakPolarHBondContact O-CD1 3.36Å; S149-I153 WeakPolarHBondContact O-CG1 3.49Å; S149-I153 PolarHBondContact O-N 3.1Å; S149-T172 PolarHBondContact OG-N 2.98Å; S149-S173 WeakPolarHBondContact OG-CB 3.32Å; S149-S173 PolarHBondContact OG-N 2.96Å
150	E	92.9	Very high	94.6	Very high	27 Å²	27	14.9 Å²	14.9	13%	0.126	7%	0.068	C	C	.	.	H	α-helix	trans	-58	-43.9	179.5	-58.5	71	-156.3	0	0	110.8	A154 G218 E219 Y220	E150-A154 PolarHBondContact O-N 2.74Å; E150-G218 VanDerWaalsContact OE1-C 3.31Å; E150-G218 WeakPolarHBondContact OE1-CA 3.36Å; E150-E219 HydrophobicContact CG-CB 4.11Å; E150-E219 HydrophobicContact CG-CG 4.38Å; E150-E219 PolarHBondContact OE1-N 3.43Å; E150-Y220 WeakPolarHBondContact OE1-CB 3.4Å; E150-Y220 PolarHBondContact OE1-N 2.93Å
151	I	94.2	Very high	94.8	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-70.5	-46.7	177.6	-57.7	178.7	0	0	0	110.1	A108 V110 A113 D146 Y148 S149 I153 A154 V155	A108-I151 VanDerWaalsContact C-CD1 3.43Å; V110-I151 HydrophobicContact CG2-CG1 4.22Å; A113-I151 HydrophobicContact CB-CG2 3.35Å; D146-I151 HydrophobicContact CB-CB 4.1Å; D146-I151 HydrophobicContact CB-CG2 3.77Å; D146-I151 WeakPolarHBondContact OD2-CG2 3.23Å; Y148-I151 HydrophobicContact CD2-CD1 3.93Å; Y148-I151 HydrophobicContact CG-CD1 4.4Å; S149-I151 VanDerWaalsContact C-N 3.3Å; S149-I151 PolarHBondContact O-N 3.41Å; I151-I153 VanDerWaalsContact C-N 3.27Å; I151-I153 PolarHBondContact O-N 2.72Å; I151-A154 PolarHBondContact O-N 3.46Å; I151-V155 HydrophobicContact CG2-CG2 3.91Å; I151-V155 WeakPolarHBondContact O-CB 3.44Å; I151-V155 WeakPolarHBondContact O-CG2 3.45Å; I151-V155 PolarHBondContact O-N 3.03Å
152	S	97.4	Very high	94.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-37.3	179.7	-67.5	0	0	0	0	112.6	D146 Y148 S149 A154 V155 T156 Q166 A171	D146-S152 PolarHBondContact O-OG 3.33Å; Y148-S152 WeakPolarHBondContact O-CB 3.21Å; Y148-S152 PolarHBondContact O-N 3.18Å; Y148-S152 PolarHBondContact O-OG 2.94Å; S149-S152 PolarHBondContact O-N 3.06Å; S152-A154 VanDerWaalsContact C-N 3.33Å; S152-A154 PolarHBondContact O-N 3.28Å; S152-V155 PolarHBondContact O-N 3.47Å; S152-T156 VanDerWaalsContact O-CB 3.31Å; S152-T156 WeakPolarHBondContact O-CB 3.5Å; S152-T156 WeakPolarHBondContact O-CG2 3.32Å; S152-T156 PolarHBondContact O-N 3.14Å; S152-Q166 PolarHBondContact OG-NE2 3.45Å; S152-A171 WeakPolarHBondContact OG-CB 3.45Å
153	I	96.9	Very high	94.5	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-42.2	174.6	-71.8	158.7	0	0	0	111.5	S149 I151 T156 R157 L175 L176 F182 E219	S149-I153 WeakPolarHBondContact O-CD1 3.36Å; S149-I153 WeakPolarHBondContact O-CG1 3.49Å; S149-I153 PolarHBondContact O-N 3.1Å; I151-I153 VanDerWaalsContact C-N 3.27Å; I151-I153 PolarHBondContact O-N 2.72Å; I153-T156 WeakPolarHBondContact O-CG2 3.45Å; I153-R157 WeakPolarHBondContact O-CD 3.23Å; I153-R157 WeakPolarHBondContact O-CG 3.23Å; I153-L175 HydrophobicContact CD1-CD2 3.8Å; I153-L175 HydrophobicContact CG1-CD2 4.47Å; I153-L176 HydrophobicContact CB-CD2 4.41Å; I153-L176 HydrophobicContact CG1-CD1 4.22Å; I153-L176 HydrophobicContact CG1-CD2 3.63Å; I153-L176 HydrophobicContact CG1-CG 3.86Å; I153-F182 HydrophobicContact CG1-CZ 4.46Å; I153-F182 HydrophobicContact CG2-CE1 4.09Å; I153-F182 HydrophobicContact CG2-CZ 4Å; I153-E219 HydrophobicContact CD1-CB 3.65Å; I153-E219 HydrophobicContact CD1-CG 3.7Å
154	A	95.8	Very high	94.4	Very high	18 Å²	18	26.7 Å²	26.7	15%	0.149	13%	0.126	C	C	.	.	H	α-helix	trans	-72.9	-47.9	178.8	0	0	0	0	0	111.6	V110 L114 E150 I151 S152 R157 H158	V110-A154 HydrophobicContact CG1-CB 3.53Å; L114-A154 HydrophobicContact CD1-CB 4.3Å; L114-A154 HydrophobicContact CD2-CB 4.12Å; L114-A154 WeakPolarHBondContact CD2-O 3.07Å; L114-A154 HydrophobicContact CG-CB 4.26Å; E150-A154 PolarHBondContact O-N 2.74Å; I151-A154 PolarHBondContact O-N 3.46Å; S152-A154 VanDerWaalsContact C-N 3.33Å; S152-A154 PolarHBondContact O-N 3.28Å; A154-R157 PolarHBondContact O-N 2.85Å; A154-H158 PolarHBondContact O-N 3.37Å
155	V	96.5	Very high	94.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-45.6	-178.4	170.6	0	0	0	0	111.2	L40 A113 T117 I151 S152 R157 H158 L159	L40-V155 HydrophobicContact CD2-CB 4.42Å; L40-V155 HydrophobicContact CD2-CG1 3.99Å; L40-V155 HydrophobicContact CD2-CG2 3.64Å; A113-V155 HydrophobicContact CB-CG2 3.89Å; T117-V155 HydrophobicContact CG2-CG1 4.17Å; I151-V155 HydrophobicContact CG2-CG2 3.91Å; I151-V155 WeakPolarHBondContact O-CB 3.44Å; I151-V155 WeakPolarHBondContact O-CG2 3.45Å; I151-V155 PolarHBondContact O-N 3.03Å; S152-V155 PolarHBondContact O-N 3.47Å; V155-R157 VanDerWaalsContact C-N 3.3Å; V155-R157 PolarHBondContact O-N 3.14Å; V155-H158 WeakPolarHBondContact O-CA 3.43Å; V155-H158 WeakPolarHBondContact O-CB 3.02Å; V155-H158 PolarHBondContact O-N 3.5Å; V155-L159 HydrophobicContact CG1-CD1 3.68Å; V155-L159 HydrophobicContact CG1-CG 4.17Å; V155-L159 PolarHBondContact O-N 2.94Å
156	T	96.2	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-36.9	-178.7	-169	0	0	0	0	111.9	S152 I153 H158 L159 N160 L176 F182 F185	S152-T156 VanDerWaalsContact O-CB 3.31Å; S152-T156 WeakPolarHBondContact O-CB 3.5Å; S152-T156 WeakPolarHBondContact O-CG2 3.32Å; S152-T156 PolarHBondContact O-N 3.14Å; I153-T156 WeakPolarHBondContact O-CG2 3.45Å; T156-H158 PolarHBondContact O-N 2.65Å; T156-L159 PolarHBondContact O-N 3.11Å; T156-N160 VanDerWaalsContact O-CB 3.28Å; T156-N160 WeakPolarHBondContact O-CB 3.46Å; T156-N160 PolarHBondContact O-N 3.39Å; T156-N160 PolarHBondContact O-ND2 2.88Å; T156-N160 VanDerWaalsContact O-ND2 3.11Å; T156-N160 PolarHBondContact O-OD1 3.37Å; T156-L176 HydrophobicContact CG2-CD2 4.11Å; T156-F182 HydrophobicContact CG2-CB 4.3Å; T156-F182 HydrophobicContact CG2-CD1 3.37Å; T156-F182 HydrophobicContact CG2-CE1 3.94Å; T156-F182 HydrophobicContact CG2-CG 4.12Å; T156-F185 HydrophobicContact CG2-CB 4.48Å; T156-F185 HydrophobicContact CG2-CD2 4.5Å; T156-F185 WeakPolarHBondContact OG1-CB 3.47Å
157	R	94.9	Very high	94.6	Very high	136 Å²	136	26.7 Å²	26.7	51%	0.513	13%	0.126	S	C	.	.	H	α-helix	trans	-61.1	-35.4	175.4	-77.8	174	166.7	175.3	-3.5	111.7	I153 A154 V155 F182	I153-R157 WeakPolarHBondContact O-CD 3.23Å; I153-R157 WeakPolarHBondContact O-CG 3.23Å; A154-R157 PolarHBondContact O-N 2.85Å; V155-R157 VanDerWaalsContact C-N 3.3Å; V155-R157 PolarHBondContact O-N 3.14Å; R157-F182 HydrophobicContact CG-CD1 4.33Å; R157-F182 HydrophobicContact CG-CE1 3.96Å
158	H	92.1	Very high	94.8	Very high	46 Å²	46	26.3 Å²	26.3	21%	0.213	13%	0.125	C	C	.	.	H	α-helix	trans	-74.5	-48.2	177.9	-158.1	48	0	0	0	111.5	L114 T117 L118 M121 A154 V155 T156 N160 L161	L114-H158 HydrophobicContact CD2-CB 3.95Å; T117-H158 HydrophobicContact CG2-CB 4.48Å; L118-H158 WeakPolarHBondContact CD2-NE2 3.27Å; M121-H158 VanDerWaalsContact CE-O 3.23Å; M121-H158 WeakPolarHBondContact CE-O 3.26Å; M121-H158 PolarHBondContact SD-CD2 3.43Å; M121-H158 PolarHBondContact SD-NE2 3.22Å; M121-H158 VanDerWaalsContact SD-NE2 3.38Å; A154-H158 PolarHBondContact O-N 3.37Å; V155-H158 WeakPolarHBondContact O-CA 3.43Å; V155-H158 WeakPolarHBondContact O-CB 3.02Å; V155-H158 PolarHBondContact O-N 3.5Å; T156-H158 PolarHBondContact O-N 2.65Å; H158-N160 PolarHBondContact O-N 2.68Å; H158-L161 VanDerWaalsContact O-CB 3.31Å; H158-L161 WeakPolarHBondContact O-CB 3.37Å; H158-L161 WeakPolarHBondContact O-CG 3.44Å; H158-L161 PolarHBondContact O-N 3.1Å; H158-L161 VanDerWaalsContact O-N 3.1Å
159	L	93.6	Very high	95	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-31	177.1	-69.1	174.8	0	0	0	113.1	T117 M121 V143 V155 T156 L161 E162 Q163 I164 Q166	T117-L159 HydrophobicContact CG2-CD2 3.56Å; T117-L159 HydrophobicContact CG2-CG 3.8Å; M121-L159 HydrophobicContact CG-CD2 4.29Å; V143-L159 HydrophobicContact CB-CD1 3.93Å; V143-L159 HydrophobicContact CG1-CD1 4.28Å; V143-L159 HydrophobicContact CG2-CD1 3.92Å; V143-L159 HydrophobicContact CG2-CD2 4.02Å; V155-L159 HydrophobicContact CG1-CD1 3.68Å; V155-L159 HydrophobicContact CG1-CG 4.17Å; V155-L159 PolarHBondContact O-N 2.94Å; T156-L159 PolarHBondContact O-N 3.11Å; L159-L161 PolarHBondContact O-N 2.99Å; L159-E162 CarbonylContact O-C 3.51Å; L159-E162 PolarHBondContact O-N 3.36Å; L159-E162 VanDerWaalsContact O-N 3.13Å; L159-Q163 PolarHBondContact O-N 3.45Å; L159-I164 HydrophobicContact CB-CB 4.25Å; L159-I164 HydrophobicContact CD2-CB 4.06Å; L159-I164 HydrophobicContact CD2-CD1 4.02Å; L159-I164 HydrophobicContact CD2-CG2 4.17Å; L159-I164 PolarHBondContact O-N 3.23Å; L159-Q166 HydrophobicContact CD1-CB 3.85Å; L159-Q166 HydrophobicContact CD1-CG 4.19Å
160	N	92.6	Very high	94.9	Very high	30 Å²	30	25.8 Å²	25.8	16%	0.16	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-59	-25.9	175.2	-77.4	-25.7	0	0	0	113.3	T156 H158 E162 Q163 S184	T156-N160 VanDerWaalsContact O-CB 3.28Å; T156-N160 WeakPolarHBondContact O-CB 3.46Å; T156-N160 PolarHBondContact O-N 3.39Å; T156-N160 PolarHBondContact O-ND2 2.88Å; T156-N160 VanDerWaalsContact O-ND2 3.11Å; T156-N160 PolarHBondContact O-OD1 3.37Å; H158-N160 PolarHBondContact O-N 2.68Å; N160-E162 VanDerWaalsContact C-N 3.26Å; N160-E162 PolarHBondContact O-N 2.97Å; N160-Q163 PolarHBondContact O-N 3.44Å; N160-S184 WeakPolarHBondContact OD1-CA 3.46Å; N160-S184 WeakPolarHBondContact OD1-CB 3.29Å; N160-S184 PolarHBondContact OD1-N 2.85Å; N160-S184 PolarHBondContact OD1-OG 2.7Å
161	L	91	Very high	95.1	Very high	123 Å²	123	24.5 Å²	24.5	64%	0.644	12%	0.118	S	C	*	.	G	3₁₀ helix	trans	-64	-34.3	177.9	-61.8	174.5	0	0	0	112	M121 H158 L159	M121-L161 HydrophobicContact CE-CB 4.11Å; M121-L161 HydrophobicContact CE-CD1 4.47Å; H158-L161 VanDerWaalsContact O-CB 3.31Å; H158-L161 WeakPolarHBondContact O-CB 3.37Å; H158-L161 WeakPolarHBondContact O-CG 3.44Å; H158-L161 PolarHBondContact O-N 3.1Å; H158-L161 VanDerWaalsContact O-N 3.1Å; L159-L161 PolarHBondContact O-N 2.99Å
162	E	88.9	Confident	95.2	Very high	68 Å²	68	24.4 Å²	24.4	32%	0.318	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-105.9	11.6	177.1	-63	-69	159.6	0	0	111.3	M121 L159 N160 I164	M121-E162 HydrophobicContact CB-CG 4.47Å; M121-E162 HydrophobicContact CE-CB 4.31Å; M121-E162 HydrophobicContact CE-CG 3.49Å; M121-E162 VanDerWaalsContact CE-CG 3.49Å; M121-E162 HydrophobicContact CG-CG 4.33Å; L159-E162 CarbonylContact O-C 3.51Å; L159-E162 PolarHBondContact O-N 3.36Å; L159-E162 VanDerWaalsContact O-N 3.13Å; N160-E162 VanDerWaalsContact C-N 3.26Å; N160-E162 PolarHBondContact O-N 2.97Å; E162-I164 HydrophobicContact CB-CD1 3.93Å; E162-I164 HydrophobicContact CB-CG1 3.89Å; E162-I164 PolarHBondContact O-N 3.34Å
163	Q	91.9	Very high	95.2	Very high	68 Å²	68	24.4 Å²	24.4	32%	0.318	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	24.7	179.5	-60.4	177.5	-38.9	0	0	114.5	L159 N160 P165 P418 E419	L159-Q163 PolarHBondContact O-N 3.45Å; N160-Q163 PolarHBondContact O-N 3.44Å; Q163-P165 WeakPolarHBondContact O-CD 3.38Å; Q163-P418 CarbonylContact O-C 3.54Å; Q163-E419 HydrophobicContact CB-CB 4.14Å; Q163-E419 HydrophobicContact CB-CG 4.35Å; Q163-E419 VanDerWaalsContact CD-CD 3.47Å; Q163-E419 VanDerWaalsContact NE2-CD 3.27Å; Q163-E419 PolarHBondContact NE2-OE1 3.33Å; Q163-E419 PolarHBondContact OE1-OE1 3.37Å; Q163-E419 PolarHBondContact OE1-OE2 3.15Å
164	I	94.6	Very high	95.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.			trans	-74.6	122.7	-179.5	-57.5	170.8	0	0	0	109	M121 N124 V143 L159 E162 Q166 S184 P418	M121-I164 HydrophobicContact CG-CD1 4.14Å; N124-I164 WeakPolarHBondContact ND2-CD1 3.47Å; V143-I164 HydrophobicContact CG2-CG2 4.04Å; L159-I164 HydrophobicContact CB-CB 4.25Å; L159-I164 HydrophobicContact CD2-CB 4.06Å; L159-I164 HydrophobicContact CD2-CD1 4.02Å; L159-I164 HydrophobicContact CD2-CG2 4.17Å; L159-I164 PolarHBondContact O-N 3.23Å; E162-I164 HydrophobicContact CB-CD1 3.93Å; E162-I164 HydrophobicContact CB-CG1 3.89Å; E162-I164 PolarHBondContact O-N 3.34Å; I164-Q166 PolarHBondContact O-N 2.82Å; I164-S184 VanDerWaalsContact O-CB 3.29Å; I164-S184 WeakPolarHBondContact O-CB 3.32Å; I164-P418 HydrophobicContact CB-CB 4.39Å; I164-P418 HydrophobicContact CG1-CB 3.89Å; I164-P418 HydrophobicContact CG1-CG 4.06Å
165	P	97	Very high	95.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.			trans	-67.4	132.7	175.2	23.9	-27.4	0	0	0	111.3	T141 A142 V143 Q163 S184 L186 F421 R422 L425	T141-P165 VanDerWaalsContact O-CD 3.28Å; T141-P165 WeakPolarHBondContact O-CD 3.47Å; A142-P165 WeakPolarHBondContact CA-O 3.42Å; A142-P165 HydrophobicContact CB-CG 3.95Å; V143-P165 PolarHBondContact N-O 3.33Å; Q163-P165 WeakPolarHBondContact O-CD 3.38Å; P165-S184 CarbonylContact C-O 3.57Å; P165-S184 WeakPolarHBondContact CA-O 3.44Å; P165-L186 HydrophobicContact CB-CD1 3.92Å; P165-F421 HydrophobicContact CG-CD1 3.96Å; P165-R422 HydrophobicContact CB-CB 3.91Å; P165-R422 HydrophobicContact CB-CG 4Å; P165-R422 HydrophobicContact CG-CB 3.9Å; P165-L425 HydrophobicContact CB-CD2 3.84Å; P165-L425 HydrophobicContact CG-CD2 4.21Å
166	Q	98	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.5	169.9	-175.4	-173.8	-18.9	0	0	109.1	V143 G145 S152 L159 I164 S184 F185 L186	V143-Q166 CarbonylContact O-C 3.52Å; V143-Q166 VanDerWaalsContact O-CA 3.3Å; V143-Q166 WeakPolarHBondContact O-CA 3.36Å; G145-Q166 VanDerWaalsContact O-CD 3.25Å; G145-Q166 WeakPolarHBondContact O-CG 3.37Å; G145-Q166 PolarHBondContact O-NE2 2.89Å; S152-Q166 PolarHBondContact OG-NE2 3.45Å; L159-Q166 HydrophobicContact CD1-CB 3.85Å; L159-Q166 HydrophobicContact CD1-CG 4.19Å; I164-Q166 PolarHBondContact O-N 2.82Å; Q166-S184 PolarHBondContact N-O 3.3Å; Q166-F185 HydrophobicContact CG-CD2 4.45Å; Q166-L186 PolarHBondContact O-N 2.97Å; Q166-L186 VanDerWaalsContact O-O 3.09Å
167	I	98.5	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	100.7	171.9	-46.3	176.5	0	0	0	108.3	V143 I144 G145 L186 T188 A394 I398 L425	V143-I167 PolarHBondContact O-N 3.46Å; I144-I167 WeakPolarHBondContact CA-O 3.48Å; G145-I167 PolarHBondContact N-O 3.45Å; I167-L186 CarbonylContact C-O 3.51Å; I167-L186 WeakPolarHBondContact CA-O 3.39Å; I167-L186 HydrophobicContact CG1-CB 4.41Å; I167-T188 HydrophobicContact CG2-CG2 3.86Å; I167-A394 HydrophobicContact CB-CB 4.33Å; I167-A394 HydrophobicContact CG2-CB 3.74Å; I167-I398 HydrophobicContact CD1-CD1 3.99Å; I167-I398 HydrophobicContact CD1-CG1 3.67Å; I167-L425 HydrophobicContact CD1-CD1 4.11Å; I167-L425 HydrophobicContact CD1-CD2 3.7Å; I167-L425 HydrophobicContact CD1-CG 4.45Å; I167-L425 HydrophobicContact CG1-CD2 3.94Å
168	S	98.2	Very high	95.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.7	174.2	178.1	0	0	0	0	111.4	D146 G170 A171 L186 R187 T188	D146-S168 WeakPolarHBondContact O-CB 3.38Å; D146-S168 PolarHBondContact O-OG 3.32Å; S168-G170 PolarHBondContact OG-N 2.89Å; S168-A171 WeakPolarHBondContact OG-CB 3.29Å; S168-A171 PolarHBondContact OG-N 2.9Å; S168-L186 PolarHBondContact N-O 2.96Å; S168-R187 WeakPolarHBondContact O-CA 3.4Å; S168-R187 VanDerWaalsContact O-CB 3.26Å; S168-R187 WeakPolarHBondContact O-CB 3.22Å; S168-T188 PolarHBondContact O-N 3.24Å; S168-T188 VanDerWaalsContact O-N 3.11Å
169	Y	96.7	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-102.9	2.1	177.8	70.7	-91.6	0	0	0	113.1	F41 Q77 I144 Y147 V189 S390 I391	F41-Y169 AromaticContact CD1-CE1 3.7Å; F41-Y169 HydrophobicContact CD1-CE1 3.7Å; F41-Y169 AromaticContact CD1-CZ 3.69Å; F41-Y169 VanDerWaalsContact CD1-OH 3.24Å; F41-Y169 WeakPolarHBondContact CD1-OH 3.32Å; F41-Y169 HydrophobicContact CE1-CD1 4.17Å; F41-Y169 AromaticContact CE1-CE1 3.48Å; F41-Y169 HydrophobicContact CE1-CE1 3.48Å; F41-Y169 VanDerWaalsContact CE1-CE1 3.48Å; F41-Y169 AromaticContact CE1-CZ 3.73Å; F41-Y169 HydrophobicContact CZ-CE1 4.29Å; Q77-Y169 HydrophobicContact CG-CE2 4.49Å; Q77-Y169 VanDerWaalsContact OE1-CE2 3.27Å; Q77-Y169 PolarHBondContact OE1-OH 3.23Å; I144-Y169 HydrophobicContact CG2-CD1 4.27Å; Y147-Y169 HydrophobicContact CD2-CD2 4.14Å; Y147-Y169 AromaticContact CD2-CE2 3.63Å; Y147-Y169 HydrophobicContact CD2-CE2 3.63Å; Y147-Y169 HydrophobicContact CG-CE2 4.27Å; Y169-V189 VanDerWaalsContact O-CG1 3.3Å; Y169-V189 WeakPolarHBondContact O-CG1 3.47Å; Y169-S390 WeakPolarHBondContact O-CB 3.32Å; Y169-S390 PolarHBondContact O-OG 2.97Å; Y169-I391 HydrophobicContact CD1-CG1 4.2Å; Y169-I391 HydrophobicContact CD2-CD1 3.88Å; Y169-I391 HydrophobicContact CD2-CG1 3.73Å; Y169-I391 HydrophobicContact CE2-CD1 4.03Å; Y169-I391 HydrophobicContact CE2-CG1 4.37Å; Y169-I391 HydrophobicContact CG-CD1 4.17Å; Y169-I391 HydrophobicContact CG-CG1 3.63Å
170	G	95.1	Very high	95.2	Very high	7 Å²	7	27.9 Å²	27.9	7%	0.072	15%	0.151	C	C	.	.	S	Bend	trans	-158.5	-5.2	-175	0	0	0	0	0	116.8	Y147 S168 T172	Y147-G170 CarbonylContact O-C 3.55Å; Y147-G170 VanDerWaalsContact O-O 3.08Å; S168-G170 PolarHBondContact OG-N 2.89Å; G170-T172 PolarHBondContact O-N 3.23Å; G170-T172 VanDerWaalsContact O-N 3.17Å
171	A	97.2	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	-81.3	97.9	178.5	0	0	0	0	0	110.7	Y147 S152 S168 L176 F185 R187	Y147-A171 WeakPolarHBondContact O-CA 3.42Å; Y147-A171 PolarHBondContact O-N 2.77Å; S152-A171 WeakPolarHBondContact OG-CB 3.45Å; S168-A171 WeakPolarHBondContact OG-CB 3.29Å; S168-A171 PolarHBondContact OG-N 2.9Å; A171-L176 HydrophobicContact CB-CD1 3.77Å; A171-F185 HydrophobicContact CB-CZ 4.11Å; A171-R187 VanDerWaalsContact O-CD 3.23Å; A171-R187 WeakPolarHBondContact O-CD 3.18Å; A171-R187 PolarHBondContact O-NH1 3.37Å; A171-R187 VanDerWaalsContact O-NH1 3.1Å
172	T	96.8	Very high	95.5	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	13%	0.132	C	C	.	.			trans	-98.4	-5	-170.1	55.2	0	0	0	0	114.4	S149 G170 G174 R187 V189 P190 Q191 D192 Y220 L332	S149-T172 PolarHBondContact OG-N 2.98Å; G170-T172 PolarHBondContact O-N 3.23Å; G170-T172 VanDerWaalsContact O-N 3.17Å; T172-G174 PolarHBondContact O-N 3.38Å; T172-R187 VanDerWaalsContact CA-NH1 3.28Å; T172-R187 PolarHBondContact O-NH1 3.4Å; T172-V189 HydrophobicContact CG2-CB 4.37Å; T172-V189 HydrophobicContact CG2-CG2 3.83Å; T172-P190 WeakPolarHBondContact CG2-O 3.2Å; T172-Q191 CarbonylContact O-C 2.94Å; T172-Q191 WeakPolarHBondContact O-CA 3.41Å; T172-D192 WeakPolarHBondContact CB-OD1 3.37Å; T172-D192 PolarHBondContact O-N 3.46Å; T172-D192 VanDerWaalsContact OG1-CG 3.24Å; T172-D192 PolarHBondContact OG1-OD1 3.44Å; T172-D192 PolarHBondContact OG1-OD2 3.12Å; T172-Y220 WeakPolarHBondContact OG1-CD2 3.32Å; T172-Y220 WeakPolarHBondContact OG1-CE2 3.41Å; T172-L332 HydrophobicContact CG2-CD2 4.2Å
173	S	97.1	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.			trans	-59.3	127.3	175.2	-178.8	0	0	0	0	111.5	S149 L175 L176 R187 D192 E219	S149-S173 WeakPolarHBondContact OG-CB 3.32Å; S149-S173 PolarHBondContact OG-N 2.96Å; S173-L175 PolarHBondContact O-N 3.25Å; S173-L175 VanDerWaalsContact O-N 3.15Å; S173-L175 PolarHBondContact OG-N 3.15Å; S173-L176 PolarHBondContact O-N 2.94Å; S173-R187 PolarHBondContact O-NH1 3.03Å; S173-D192 PolarHBondContact N-OD2 3.35Å; S173-E219 PolarHBondContact OG-O 3.39Å
174	G	95.9	Very high	95.9	Very high	10 Å²	10	21.4 Å²	21.4	10%	0.103	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-69.8	-6.6	179.3	0	0	0	0	0	113.8	T172 L176 S177 Y223	T172-G174 PolarHBondContact O-N 3.38Å; G174-L176 PolarHBondContact O-N 3.46Å; G174-S177 WeakPolarHBondContact O-CB 3.23Å; G174-S177 PolarHBondContact O-N 3.04Å; G174-S177 VanDerWaalsContact O-N 3.15Å; G174-Y223 VanDerWaalsContact CA-CZ 3.47Å
175	L	95.2	Very high	96.1	Very high	38 Å²	38	21.4 Å²	21.4	20%	0.199	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-57.1	-35.6	170.7	-170.4	63.7	0	0	0	111.7	I153 S173 S177 D178 R181 F182	I153-L175 HydrophobicContact CD1-CD2 3.8Å; I153-L175 HydrophobicContact CG1-CD2 4.47Å; S173-L175 PolarHBondContact O-N 3.25Å; S173-L175 VanDerWaalsContact O-N 3.15Å; S173-L175 PolarHBondContact OG-N 3.15Å; L175-S177 PolarHBondContact O-N 2.64Å; L175-D178 PolarHBondContact O-N 3.24Å; L175-R181 VanDerWaalsContact CD1-NH1 3.31Å; L175-F182 HydrophobicContact CG-CE2 4.09Å; L175-F182 WeakPolarHBondContact O-CD2 3.3Å; L175-F182 WeakPolarHBondContact O-CE2 3.39Å
176	L	96.8	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-74.8	-10.4	-178.8	-71.6	162.1	0	0	0	113.9	I153 T156 A171 S173 G174 D178 K179 F182 F185	I153-L176 HydrophobicContact CB-CD2 4.41Å; I153-L176 HydrophobicContact CG1-CD1 4.22Å; I153-L176 HydrophobicContact CG1-CD2 3.63Å; I153-L176 HydrophobicContact CG1-CG 3.86Å; T156-L176 HydrophobicContact CG2-CD2 4.11Å; A171-L176 HydrophobicContact CB-CD1 3.77Å; S173-L176 PolarHBondContact O-N 2.94Å; G174-L176 PolarHBondContact O-N 3.46Å; L176-D178 VanDerWaalsContact C-N 3.29Å; L176-K179 PolarHBondContact O-NZ 3.13Å; L176-K179 VanDerWaalsContact O-NZ 3.14Å; L176-F182 HydrophobicContact CD2-CD1 4.46Å; L176-F182 HydrophobicContact CD2-CD2 4.33Å; L176-F182 HydrophobicContact CD2-CG 4.28Å; L176-F185 HydrophobicContact CB-CD1 3.61Å; L176-F185 HydrophobicContact CB-CE1 3.46Å; L176-F185 VanDerWaalsContact CB-CE1 3.46Å; L176-F185 HydrophobicContact CB-CG 4.23Å; L176-F185 HydrophobicContact CB-CZ 3.98Å; L176-F185 HydrophobicContact CD1-CE1 4.01Å; L176-F185 HydrophobicContact CD1-CE2 3.97Å; L176-F185 HydrophobicContact CD1-CZ 3.61Å; L176-F185 HydrophobicContact CD2-CD1 4.23Å; L176-F185 HydrophobicContact CD2-CD2 3.91Å; L176-F185 HydrophobicContact CD2-CE1 4.36Å; L176-F185 HydrophobicContact CD2-CE2 4.05Å; L176-F185 HydrophobicContact CD2-CG 4Å; L176-F185 HydrophobicContact CD2-CZ 4.27Å; L176-F185 HydrophobicContact CG-CD1 4.38Å; L176-F185 HydrophobicContact CG-CE1 4.15Å; L176-F185 HydrophobicContact CG-CE2 4.43Å; L176-F185 HydrophobicContact CG-CZ 4.16Å; L176-F185 WeakPolarHBondContact O-CD1 3.41Å
177	S	95.2	Very high	96.1	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.063	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-77.1	-14.6	173.3	-59.5	0	0	0	0	112.4	G174 L175 K179 R187 D444	G174-S177 WeakPolarHBondContact O-CB 3.23Å; G174-S177 PolarHBondContact O-N 3.04Å; G174-S177 VanDerWaalsContact O-N 3.15Å; L175-S177 PolarHBondContact O-N 2.64Å; S177-K179 PolarHBondContact O-N 3.39Å; S177-R187 PolarHBondContact OG-NH2 3.48Å; S177-D444 PolarHBondContact OG-OD2 2.98Å
178	D	95.6	Very high	96.1	Very high	58 Å²	58	21.4 Å²	21.4	31%	0.31	12%	0.116	S	C	.	.			trans	-73.3	94.8	174.5	-174.7	-12.8	0	0	0	111.3	L175 L176 T180 R181 F182	L175-D178 PolarHBondContact O-N 3.24Å; L176-D178 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 3.35Å; D178-T180 WeakPolarHBondContact OD1-CB 3.31Å; D178-T180 PolarHBondContact OD1-N 3.13Å; D178-T180 PolarHBondContact OD1-OG1 3.35Å; D178-R181 HydrophobicContact CB-CB 4.43Å; D178-R181 PolarHBondContact O-N 2.94Å; D178-R181 VanDerWaalsContact O-N 3.09Å; D178-R181 PolarHBondContact OD1-N 2.94Å; D178-R181 WeakPolarHBondContact OD2-CD 3.47Å; D178-R181 WeakPolarHBondContact OD2-CG 3.36Å; D178-F182 PolarHBondContact O-N 3.37Å
179	K	94.1	Very high	96	Very high	44 Å²	44	21.5 Å²	21.5	19%	0.191	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.1	-179.1	-57	-49.2	174.6	-163.6	0	114.8	L176 S177 R181 F182 F185 Y442 S443	L176-K179 PolarHBondContact O-NZ 3.13Å; L176-K179 VanDerWaalsContact O-NZ 3.14Å; S177-K179 PolarHBondContact O-N 3.39Å; K179-R181 VanDerWaalsContact C-N 3.31Å; K179-F182 WeakPolarHBondContact CD-O 3.33Å; K179-F185 PolarHBondContact NZ-O 3.34Å; K179-Y442 WeakPolarHBondContact CE-O 3.47Å; K179-Y442 PolarHBondContact NZ-O 3.07Å; K179-S443 VanDerWaalsContact CE-CB 3.49Å; K179-S443 WeakPolarHBondContact CE-OG 3.2Å
180	T	93.6	Very high	96	Very high	128 Å²	128	21.5 Å²	21.5	79%	0.785	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-33.2	169	74.1	0	0	0	0	110.7	D178	D178-T180 PolarHBondContact O-N 3.35Å; D178-T180 WeakPolarHBondContact OD1-CB 3.31Å; D178-T180 PolarHBondContact OD1-N 3.13Å; D178-T180 PolarHBondContact OD1-OG1 3.35Å
181	R	93.7	Very high	96	Very high	107 Å²	107	22.8 Å²	22.8	40%	0.404	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-34	178.7	-66.9	171.5	60.1	176.2	-4.8	113.1	L175 D178 K179 P183	L175-R181 VanDerWaalsContact CD1-NH1 3.31Å; D178-R181 HydrophobicContact CB-CB 4.43Å; D178-R181 PolarHBondContact O-N 2.94Å; D178-R181 VanDerWaalsContact O-N 3.09Å; D178-R181 PolarHBondContact OD1-N 2.94Å; D178-R181 WeakPolarHBondContact OD2-CD 3.47Å; D178-R181 WeakPolarHBondContact OD2-CG 3.36Å; K179-R181 VanDerWaalsContact C-N 3.31Å; R181-P183 VanDerWaalsContact C-CD 3.44Å
182	F	95.8	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.			trans	-129.7	62.5	-171.7	-50.9	-65.7	0	0	0	112.2	I153 T156 R157 L175 L176 D178 K179 S184 F185	I153-F182 HydrophobicContact CG1-CZ 4.46Å; I153-F182 HydrophobicContact CG2-CE1 4.09Å; I153-F182 HydrophobicContact CG2-CZ 4Å; T156-F182 HydrophobicContact CG2-CB 4.3Å; T156-F182 HydrophobicContact CG2-CD1 3.37Å; T156-F182 HydrophobicContact CG2-CE1 3.94Å; T156-F182 HydrophobicContact CG2-CG 4.12Å; R157-F182 HydrophobicContact CG-CD1 4.33Å; R157-F182 HydrophobicContact CG-CE1 3.96Å; L175-F182 HydrophobicContact CG-CE2 4.09Å; L175-F182 WeakPolarHBondContact O-CD2 3.3Å; L175-F182 WeakPolarHBondContact O-CE2 3.39Å; L176-F182 HydrophobicContact CD2-CD1 4.46Å; L176-F182 HydrophobicContact CD2-CD2 4.33Å; L176-F182 HydrophobicContact CD2-CG 4.28Å; D178-F182 PolarHBondContact O-N 3.37Å; K179-F182 WeakPolarHBondContact CD-O 3.33Å; F182-S184 VanDerWaalsContact C-N 3.3Å; F182-S184 PolarHBondContact O-N 3.1Å; F182-F185 HydrophobicContact CB-CB 3.91Å; F182-F185 PolarHBondContact O-N 3.42Å
183	P	94.9	Very high	95.9	Very high	46 Å²	46	24 Å²	24	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.4	-172.8	24.8	-36.4	0	0	0	115.3	R181 K426	R181-P183 VanDerWaalsContact C-CD 3.44Å; P183-K426 WeakPolarHBondContact O-CE 3.37Å; P183-K426 PolarHBondContact O-NZ 2.84Å
184	S	94.8	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	8.8	177.9	-34.8	0	0	0	0	113.3	N160 I164 P165 Q166 F182 R422	N160-S184 WeakPolarHBondContact OD1-CA 3.46Å; N160-S184 WeakPolarHBondContact OD1-CB 3.29Å; N160-S184 PolarHBondContact OD1-N 2.85Å; N160-S184 PolarHBondContact OD1-OG 2.7Å; I164-S184 VanDerWaalsContact O-CB 3.29Å; I164-S184 WeakPolarHBondContact O-CB 3.32Å; P165-S184 CarbonylContact C-O 3.57Å; P165-S184 WeakPolarHBondContact CA-O 3.44Å; Q166-S184 PolarHBondContact N-O 3.3Å; F182-S184 VanDerWaalsContact C-N 3.3Å; F182-S184 PolarHBondContact O-N 3.1Å; S184-R422 WeakPolarHBondContact OG-CD 3.31Å
185	F	98	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.2	174.5	-173.8	-93.7	0	0	0	111.4	T156 Q166 A171 L176 K179 F182 R187	T156-F185 HydrophobicContact CG2-CB 4.48Å; T156-F185 HydrophobicContact CG2-CD2 4.5Å; T156-F185 WeakPolarHBondContact OG1-CB 3.47Å; Q166-F185 HydrophobicContact CG-CD2 4.45Å; A171-F185 HydrophobicContact CB-CZ 4.11Å; L176-F185 HydrophobicContact CB-CD1 3.61Å; L176-F185 HydrophobicContact CB-CE1 3.46Å; L176-F185 VanDerWaalsContact CB-CE1 3.46Å; L176-F185 HydrophobicContact CB-CG 4.23Å; L176-F185 HydrophobicContact CB-CZ 3.98Å; L176-F185 HydrophobicContact CD1-CE1 4.01Å; L176-F185 HydrophobicContact CD1-CE2 3.97Å; L176-F185 HydrophobicContact CD1-CZ 3.61Å; L176-F185 HydrophobicContact CD2-CD1 4.23Å; L176-F185 HydrophobicContact CD2-CD2 3.91Å; L176-F185 HydrophobicContact CD2-CE1 4.36Å; L176-F185 HydrophobicContact CD2-CE2 4.05Å; L176-F185 HydrophobicContact CD2-CG 4Å; L176-F185 HydrophobicContact CD2-CZ 4.27Å; L176-F185 HydrophobicContact CG-CD1 4.38Å; L176-F185 HydrophobicContact CG-CE1 4.15Å; L176-F185 HydrophobicContact CG-CE2 4.43Å; L176-F185 HydrophobicContact CG-CZ 4.16Å; L176-F185 WeakPolarHBondContact O-CD1 3.41Å; K179-F185 PolarHBondContact NZ-O 3.34Å; F182-F185 HydrophobicContact CB-CB 3.91Å; F182-F185 PolarHBondContact O-N 3.42Å; F185-R187 HydrophobicContact CE1-CB 4.01Å; F185-R187 HydrophobicContact CE1-CG 3.99Å; F185-R187 HydrophobicContact CZ-CB 4.11Å
186	L	98.2	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165	170	-56.8	92.6	0	0	0	108.7	P165 Q166 I167 S168 L425 K426 F439 S443	P165-L186 HydrophobicContact CB-CD1 3.92Å; Q166-L186 PolarHBondContact O-N 2.97Å; Q166-L186 VanDerWaalsContact O-O 3.09Å; I167-L186 CarbonylContact C-O 3.51Å; I167-L186 WeakPolarHBondContact CA-O 3.39Å; I167-L186 HydrophobicContact CG1-CB 4.41Å; S168-L186 PolarHBondContact N-O 2.96Å; L186-L425 HydrophobicContact CD1-CD2 4.04Å; L186-L425 HydrophobicContact CD2-CD2 4.05Å; L186-L425 HydrophobicContact CD2-CG 3.99Å; L186-K426 HydrophobicContact CD2-CG 4.02Å; L186-F439 HydrophobicContact CB-CD1 4.36Å; L186-F439 HydrophobicContact CB-CE1 3.99Å; L186-F439 HydrophobicContact CB-CZ 4.39Å; L186-F439 HydrophobicContact CD2-CD1 4.07Å; L186-F439 HydrophobicContact CD2-CD2 3.92Å; L186-F439 HydrophobicContact CD2-CE1 4.04Å; L186-F439 HydrophobicContact CD2-CE2 3.88Å; L186-F439 HydrophobicContact CD2-CG 4.01Å; L186-F439 HydrophobicContact CD2-CZ 3.94Å; L186-S443 WeakPolarHBondContact CA-O 3.28Å
187	R	97.7	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	153.1	172.2	56.9	177.4	175.2	-172.4	-0.1	113.1	S168 A171 T172 S173 S177 F185 V189 S443 D444 V445	S168-R187 WeakPolarHBondContact O-CA 3.4Å; S168-R187 VanDerWaalsContact O-CB 3.26Å; S168-R187 WeakPolarHBondContact O-CB 3.22Å; A171-R187 VanDerWaalsContact O-CD 3.23Å; A171-R187 WeakPolarHBondContact O-CD 3.18Å; A171-R187 PolarHBondContact O-NH1 3.37Å; A171-R187 VanDerWaalsContact O-NH1 3.1Å; T172-R187 VanDerWaalsContact CA-NH1 3.28Å; T172-R187 PolarHBondContact O-NH1 3.4Å; S173-R187 PolarHBondContact O-NH1 3.03Å; S177-R187 PolarHBondContact OG-NH2 3.48Å; F185-R187 HydrophobicContact CE1-CB 4.01Å; F185-R187 HydrophobicContact CE1-CG 3.99Å; F185-R187 HydrophobicContact CZ-CB 4.11Å; R187-V189 VanDerWaalsContact C-N 3.31Å; R187-V189 HydrophobicContact CB-CG2 4.19Å; R187-V189 WeakPolarHBondContact CD-O 3.37Å; R187-V189 HydrophobicContact CG-CG2 4.44Å; R187-V189 WeakPolarHBondContact CG-O 3.38Å; R187-V189 PolarHBondContact NE-O 3.34Å; R187-S443 PolarHBondContact N-O 2.88Å; R187-D444 HydrophobicContact CG-CB 4.4Å; R187-D444 VanDerWaalsContact CG-OD1 3.31Å; R187-D444 WeakPolarHBondContact CG-OD1 3.28Å; R187-D444 IonicContact CZ-OD1 2.78Å; R187-D444 IonicContact CZ-OD2 2.65Å; R187-D444 IonicContact NE-OD1 2.68Å; R187-D444 PolarHBondContact NE-OD1 3.42Å; R187-D444 IonicContact NE-OD2 2.79Å; R187-D444 IonicContact NH2-OD1 3.26Å; R187-D444 PolarHBondContact NH2-OD1 2.84Å; R187-D444 IonicContact NH2-OD2 3.55Å; R187-D444 PolarHBondContact NH2-OD2 3.2Å; R187-V445 PolarHBondContact O-N 3.33Å
188	T	97.4	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-96.2	14.7	177.9	48.3	0	0	0	0	113.4	I167 S168 S390 L393 A394	I167-T188 HydrophobicContact CG2-CG2 3.86Å; S168-T188 PolarHBondContact O-N 3.24Å; S168-T188 VanDerWaalsContact O-N 3.11Å; T188-S390 WeakPolarHBondContact CB-O 3.4Å; T188-S390 PolarHBondContact OG1-O 3.28Å; T188-L393 HydrophobicContact CG2-CB 4.15Å; T188-L393 HydrophobicContact CG2-CD2 4.26Å; T188-L393 HydrophobicContact CG2-CG 4.16Å; T188-A394 HydrophobicContact CG2-CB 3.88Å
189	V	96.4	Very high	96.1	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-129.4	150	-179.6	-62.5	0	0	0	0	110.2	Y169 T172 R187 L332 V445	Y169-V189 VanDerWaalsContact O-CG1 3.3Å; Y169-V189 WeakPolarHBondContact O-CG1 3.47Å; T172-V189 HydrophobicContact CG2-CB 4.37Å; T172-V189 HydrophobicContact CG2-CG2 3.83Å; R187-V189 VanDerWaalsContact C-N 3.31Å; R187-V189 HydrophobicContact CB-CG2 4.19Å; R187-V189 WeakPolarHBondContact CD-O 3.37Å; R187-V189 HydrophobicContact CG-CG2 4.44Å; R187-V189 WeakPolarHBondContact CG-O 3.38Å; R187-V189 PolarHBondContact NE-O 3.34Å; V189-L332 HydrophobicContact CB-CD1 4.21Å; V189-L332 HydrophobicContact CB-CD2 3.81Å; V189-L332 HydrophobicContact CG1-CD1 3.69Å; V189-L332 HydrophobicContact CG1-CD2 4.03Å; V189-L332 HydrophobicContact CG1-CG 4.37Å; V189-V445 CarbonylContact C-O 3.43Å
190	P	95.9	Very high	96.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.			trans	-71.6	166.4	175.1	28.4	-36.4	0	0	0	113.2	T172 L332 Y449 I473	T172-P190 WeakPolarHBondContact CG2-O 3.2Å; P190-L332 HydrophobicContact CG-CD2 4.16Å; P190-Y449 HydrophobicContact CB-CE2 4.04Å; P190-Y449 HydrophobicContact CG-CD2 4.2Å; P190-Y449 HydrophobicContact CG-CE1 4.22Å; P190-Y449 HydrophobicContact CG-CE2 3.49Å; P190-Y449 VanDerWaalsContact CG-CE2 3.49Å; P190-I473 HydrophobicContact CB-CD1 3.5Å; P190-I473 VanDerWaalsContact CB-CD1 3.5Å; P190-I473 HydrophobicContact CG-CD1 3.95Å
191	Q	95.1	Very high	96.2	Very high	34 Å²	34	16.4 Å²	16.4	16%	0.159	8%	0.077	C	C	.	.			trans	-78.9	154.5	171.1	35.1	177.1	15.8	0	0	114.6	T172 D193 H194 Y449	T172-Q191 CarbonylContact O-C 2.94Å; T172-Q191 WeakPolarHBondContact O-CA 3.41Å; Q191-D193 PolarHBondContact O-N 3.02Å; Q191-D193 VanDerWaalsContact O-N 3.09Å; Q191-H194 WeakPolarHBondContact O-CB 3.42Å; Q191-H194 PolarHBondContact O-N 3.4Å; Q191-Y449 PolarHBondContact O-OH 3.22Å
192	D	95.7	Very high	96.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61	-17	176.1	-58.9	-36.5	0	0	0	115.2	T172 S173 H194 Q195 A196 Y220 Y223 A224	T172-D192 WeakPolarHBondContact CB-OD1 3.37Å; T172-D192 PolarHBondContact O-N 3.46Å; T172-D192 VanDerWaalsContact OG1-CG 3.24Å; T172-D192 PolarHBondContact OG1-OD1 3.44Å; T172-D192 PolarHBondContact OG1-OD2 3.12Å; S173-D192 PolarHBondContact N-OD2 3.35Å; D192-H194 PolarHBondContact O-N 2.7Å; D192-Q195 PolarHBondContact O-N 3.47Å; D192-Q195 PolarHBondContact OD1-OE1 3.46Å; D192-A196 VanDerWaalsContact O-CB 3.27Å; D192-A196 WeakPolarHBondContact O-CB 3.44Å; D192-A196 PolarHBondContact O-N 3.42Å; D192-Y220 WeakPolarHBondContact OD1-CE2 3.41Å; D192-Y220 VanDerWaalsContact OD2-CD2 3.24Å; D192-Y220 WeakPolarHBondContact OD2-CD2 3.46Å; D192-Y220 WeakPolarHBondContact OD2-CE2 3.26Å; D192-Y223 HydrophobicContact CB-CD1 4Å; D192-Y223 HydrophobicContact CB-CE1 4.11Å; D192-A224 HydrophobicContact CB-CB 4.15Å
193	D	96.5	Very high	96.1	Very high	29 Å²	29	11.4 Å²	11.4	16%	0.155	6%	0.058	C	C	.	.	H	α-helix	trans	-59.5	-37.9	172.1	-176.1	57.1	0	0	0	111.3	Q191 F197 R227 H231	Q191-D193 PolarHBondContact O-N 3.02Å; Q191-D193 VanDerWaalsContact O-N 3.09Å; D193-F197 WeakPolarHBondContact O-CB 3.2Å; D193-F197 PolarHBondContact O-N 2.97Å; D193-R227 HydrophobicContact CB-CG 4.21Å; D193-R227 IonicContact OD1-CZ 2.75Å; D193-R227 IonicContact OD1-NE 2.99Å; D193-R227 PolarHBondContact OD1-NE 2.99Å; D193-R227 IonicContact OD1-NH2 2.68Å; D193-R227 PolarHBondContact OD1-NH2 3.24Å; D193-H231 PolarHBondContact O-NE2 3.08Å; D193-H231 IonicContact OD1-CD2 3.13Å; D193-H231 IonicContact OD1-CE1 3.31Å; D193-H231 IonicContact OD1-NE2 2.85Å; D193-H231 PolarHBondContact OD1-NE2 3.41Å; D193-H231 IonicContact OD2-NE2 3.21Å
194	H	96.3	Very high	96	Very high	31 Å²	31	13.8 Å²	13.8	14%	0.144	6%	0.063	C	C	.	.	H	α-helix	trans	-71.3	-39.5	176.3	-62.8	-50.4	0	0	0	111.7	Q191 D192 F197 A198 Y449 F471 I473	Q191-H194 WeakPolarHBondContact O-CB 3.42Å; Q191-H194 PolarHBondContact O-N 3.4Å; D192-H194 PolarHBondContact O-N 2.7Å; H194-F197 PolarHBondContact O-N 2.85Å; H194-A198 WeakPolarHBondContact O-CB 3.43Å; H194-A198 PolarHBondContact O-N 3.48Å; H194-Y449 HydrophobicContact CB-CE2 3.89Å; H194-F471 HydrophobicContact CB-CE1 4.47Å; H194-I473 HydrophobicContact CB-CD1 4.1Å; H194-I473 HydrophobicContact CB-CG1 4.1Å
195	Q	96.3	Very high	95.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-49.2	174.6	-167.8	-171.9	46.5	0	0	111.4	D192 F197 A198 I199 D305 I330 Y449	D192-Q195 PolarHBondContact O-N 3.47Å; D192-Q195 PolarHBondContact OD1-OE1 3.46Å; Q195-F197 VanDerWaalsContact C-N 3.29Å; Q195-F197 PolarHBondContact O-N 3Å; Q195-A198 WeakPolarHBondContact O-CB 3.28Å; Q195-A198 PolarHBondContact O-N 3.29Å; Q195-A198 VanDerWaalsContact O-N 3.11Å; Q195-I199 HydrophobicContact CG-CD1 4.3Å; Q195-I199 WeakPolarHBondContact O-CG1 3.29Å; Q195-I199 PolarHBondContact O-N 3.05Å; Q195-D305 PolarHBondContact NE2-OD1 3.37Å; Q195-I330 HydrophobicContact CG-CG2 4.13Å; Q195-Y449 HydrophobicContact CB-CE1 4.01Å; Q195-Y449 HydrophobicContact CB-CE2 4.27Å; Q195-Y449 HydrophobicContact CG-CE1 4.1Å
196	A	97.4	Very high	95.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-40.7	177.6	0	0	0	0	0	111.9	D192 I199 V200 R227 L228	D192-A196 VanDerWaalsContact O-CB 3.27Å; D192-A196 WeakPolarHBondContact O-CB 3.44Å; D192-A196 PolarHBondContact O-N 3.42Å; A196-I199 PolarHBondContact O-N 3.1Å; A196-V200 WeakPolarHBondContact O-CG2 3.47Å; A196-V200 PolarHBondContact O-N 2.82Å; A196-R227 HydrophobicContact CB-CB 3.71Å; A196-L228 HydrophobicContact CB-CB 4.27Å
197	F	97.1	Very high	95	Very high	46 Å²	46	26.1 Å²	26.1	20%	0.202	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-46.5	173.3	-178.8	-91.4	0	0	0	111.9	D193 H194 Q195 I199 V200 E201 H231 F471 K476	D193-F197 WeakPolarHBondContact O-CB 3.2Å; D193-F197 PolarHBondContact O-N 2.97Å; H194-F197 PolarHBondContact O-N 2.85Å; Q195-F197 VanDerWaalsContact C-N 3.29Å; Q195-F197 PolarHBondContact O-N 3Å; F197-I199 PolarHBondContact O-N 3.19Å; F197-V200 PolarHBondContact O-N 3.28Å; F197-E201 HydrophobicContact CD1-CG 4.24Å; F197-E201 HydrophobicContact CE1-CG 3.75Å; F197-E201 HydrophobicContact CZ-CG 3.94Å; F197-E201 PolarHBondContact O-N 2.91Å; F197-H231 AromaticContact CD2-CE1 3.87Å; F197-H231 AromaticContact CD2-ND1 3.77Å; F197-F471 AromaticContact CD1-CE2 3.9Å; F197-F471 HydrophobicContact CD1-CE2 3.9Å; F197-F471 AromaticContact CD1-CZ 3.51Å; F197-F471 HydrophobicContact CD1-CZ 3.51Å; F197-F471 HydrophobicContact CE1-CE2 4.01Å; F197-F471 AromaticContact CE1-CZ 3.92Å; F197-F471 HydrophobicContact CE1-CZ 3.92Å; F197-K476 HydrophobicContact CE1-CB 4.12Å; F197-K476 HydrophobicContact CZ-CB 4.46Å
198	A	95.8	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-42.7	178.3	0	0	0	0	0	112.3	H194 Q195 V200 E201 I202 I330 F471	H194-A198 WeakPolarHBondContact O-CB 3.43Å; H194-A198 PolarHBondContact O-N 3.48Å; Q195-A198 WeakPolarHBondContact O-CB 3.28Å; Q195-A198 PolarHBondContact O-N 3.29Å; Q195-A198 VanDerWaalsContact O-N 3.11Å; A198-V200 VanDerWaalsContact C-N 3.34Å; A198-V200 PolarHBondContact O-N 3.11Å; A198-E201 PolarHBondContact O-N 3.08Å; A198-I202 WeakPolarHBondContact O-CD1 3.39Å; A198-I202 WeakPolarHBondContact O-CG1 3.33Å; A198-I202 PolarHBondContact O-N 3.27Å; A198-I330 HydrophobicContact CB-CD1 3.98Å; A198-F471 HydrophobicContact CB-CB 4.21Å; A198-F471 HydrophobicContact CB-CD1 3.85Å; A198-F471 HydrophobicContact CB-CD2 3.89Å; A198-F471 HydrophobicContact CB-CE1 4.2Å; A198-F471 HydrophobicContact CB-CE2 4.24Å; A198-F471 HydrophobicContact CB-CG 3.69Å; A198-F471 HydrophobicContact CB-CZ 4.4Å
199	I	96.5	Very high	94.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-47.1	174	-66.9	170.5	0	0	0	110.4	Q195 A196 F197 E201 I202 L203 L228 V275 F277 L302 I330	Q195-I199 HydrophobicContact CG-CD1 4.3Å; Q195-I199 WeakPolarHBondContact O-CG1 3.29Å; Q195-I199 PolarHBondContact O-N 3.05Å; A196-I199 PolarHBondContact O-N 3.1Å; F197-I199 PolarHBondContact O-N 3.19Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-E201 PolarHBondContact O-N 3.14Å; I199-I202 WeakPolarHBondContact O-CB 3.41Å; I199-I202 PolarHBondContact O-N 3.42Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I199-L203 HydrophobicContact CG2-CD1 4.27Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CG 3.48Å; I199-L203 PolarHBondContact O-N 3.13Å; I199-L228 HydrophobicContact CB-CD1 3.93Å; I199-L228 HydrophobicContact CG2-CD1 3.6Å; I199-V275 HydrophobicContact CD1-CG1 4.01Å; I199-V275 HydrophobicContact CG2-CG1 3.91Å; I199-V275 HydrophobicContact CG2-CG2 4.07Å; I199-F277 HydrophobicContact CD1-CE1 3.68Å; I199-F277 HydrophobicContact CD1-CZ 3.49Å; I199-F277 VanDerWaalsContact CD1-CZ 3.49Å; I199-L302 HydrophobicContact CG2-CD1 3.87Å; I199-I330 HydrophobicContact CB-CD1 4.32Å; I199-I330 HydrophobicContact CD1-CD1 4.38Å; I199-I330 HydrophobicContact CG1-CD1 3.34Å; I199-I330 HydrophobicContact CG1-CG1 4.34Å
200	V	96.9	Very high	94.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-38.4	179.9	166.5	0	0	0	0	112.2	A196 F197 A198 I202 L203 K204 L228 H231 A232 N235 I237	A196-V200 WeakPolarHBondContact O-CG2 3.47Å; A196-V200 PolarHBondContact O-N 2.82Å; F197-V200 PolarHBondContact O-N 3.28Å; A198-V200 VanDerWaalsContact C-N 3.34Å; A198-V200 PolarHBondContact O-N 3.11Å; V200-I202 VanDerWaalsContact C-N 3.3Å; V200-I202 PolarHBondContact O-N 2.96Å; V200-L203 PolarHBondContact O-N 3.47Å; V200-K204 VanDerWaalsContact O-CB 3.25Å; V200-K204 WeakPolarHBondContact O-CB 3.47Å; V200-K204 PolarHBondContact O-N 3.46Å; V200-L228 HydrophobicContact CG2-CD1 3.84Å; V200-H231 HydrophobicContact CB-CB 4.07Å; V200-H231 HydrophobicContact CG1-CB 4.19Å; V200-H231 HydrophobicContact CG2-CB 3.74Å; V200-A232 HydrophobicContact CG2-CB 4.21Å; V200-N235 HydrophobicContact CG1-CB 4.22Å; V200-I237 HydrophobicContact CG1-CD1 4.09Å
201	E	94.4	Very high	94.7	Very high	48 Å²	48	29.7 Å²	29.7	22%	0.224	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-35.1	174.8	-74.5	-67.4	112.2	0	0	111.9	F197 A198 I199 K204 K205 L478	F197-E201 HydrophobicContact CD1-CG 4.24Å; F197-E201 HydrophobicContact CE1-CG 3.75Å; F197-E201 HydrophobicContact CZ-CG 3.94Å; F197-E201 PolarHBondContact O-N 2.91Å; A198-E201 PolarHBondContact O-N 3.08Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-E201 PolarHBondContact O-N 3.14Å; E201-K204 WeakPolarHBondContact OE1-CD 3.26Å; E201-K204 IonicContact OE1-NZ 2.72Å; E201-K204 PolarHBondContact OE1-NZ 3.11Å; E201-K205 VanDerWaalsContact O-CB 3.3Å; E201-K205 WeakPolarHBondContact O-CB 3.33Å; E201-K205 PolarHBondContact O-N 3.45Å; E201-L478 HydrophobicContact CB-CD2 4.26Å
202	I	92.9	Very high	94.8	Very high	2 Å²	2	28 Å²	28	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-48.3	171.6	-65.8	155.9	0	0	0	110.8	A198 I199 V200 K204 K205 N206 L302 F328 I330 L451 L478 I480	A198-I202 WeakPolarHBondContact O-CD1 3.39Å; A198-I202 WeakPolarHBondContact O-CG1 3.33Å; A198-I202 PolarHBondContact O-N 3.27Å; I199-I202 WeakPolarHBondContact O-CB 3.41Å; I199-I202 PolarHBondContact O-N 3.42Å; I199-I202 VanDerWaalsContact O-N 3.15Å; V200-I202 VanDerWaalsContact C-N 3.3Å; V200-I202 PolarHBondContact O-N 2.96Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.29Å; I202-K205 PolarHBondContact O-N 3.38Å; I202-N206 PolarHBondContact O-N 3.13Å; I202-N206 PolarHBondContact O-ND2 3.49Å; I202-L302 HydrophobicContact CG2-CD1 4.28Å; I202-L302 HydrophobicContact CG2-CD2 4.25Å; I202-F328 HydrophobicContact CD1-CD1 4.15Å; I202-F328 HydrophobicContact CD1-CE1 3.43Å; I202-F328 VanDerWaalsContact CD1-CE1 3.43Å; I202-F328 HydrophobicContact CD1-CZ 4.15Å; I202-F328 HydrophobicContact CG1-CE1 4.22Å; I202-I330 HydrophobicContact CD1-CD1 3.6Å; I202-I330 HydrophobicContact CD1-CG1 4.12Å; I202-L451 HydrophobicContact CD1-CD2 4.36Å; I202-L478 HydrophobicContact CG1-CD1 4.33Å; I202-L478 HydrophobicContact CG1-CD2 3.69Å; I202-I480 HydrophobicContact CG1-CD1 4.3Å
203	L	94.5	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-45.6	178.5	-67.5	179.4	0	0	0	111.6	I199 V200 N206 N207 W208 V211 I237 V273 V275 L302	I199-L203 HydrophobicContact CG2-CD1 4.27Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CG 3.48Å; I199-L203 PolarHBondContact O-N 3.13Å; V200-L203 PolarHBondContact O-N 3.47Å; L203-N206 PolarHBondContact O-N 2.92Å; L203-N207 PolarHBondContact O-N 3.46Å; L203-W208 HydrophobicContact CD2-CB 4.27Å; L203-W208 HydrophobicContact CD2-CE3 3.86Å; L203-W208 PolarHBondContact O-N 3.2Å; L203-V211 HydrophobicContact CD1-CG1 4.41Å; L203-V211 HydrophobicContact CD1-CG2 4.3Å; L203-V211 HydrophobicContact CD2-CG1 3.87Å; L203-I237 HydrophobicContact CB-CD1 3.74Å; L203-I237 HydrophobicContact CD1-CD1 4.35Å; L203-I237 HydrophobicContact CD1-CG2 4.14Å; L203-V273 HydrophobicContact CD2-CG1 3.9Å; L203-V275 HydrophobicContact CD1-CG2 4.38Å; L203-L302 HydrophobicContact CD2-CD1 3.48Å; L203-L302 VanDerWaalsContact CD2-CD1 3.48Å; L203-L302 HydrophobicContact CG-CD1 3.98Å
204	K	92.6	Very high	95	Very high	95 Å²	95	26.7 Å²	26.7	41%	0.413	13%	0.127	S	C	.	.	H	α-helix	trans	-63.4	-46.6	179.1	179.2	-174.4	-178.8	173.8	0	112.2	V200 E201 I202 N206 N207 N235	V200-K204 VanDerWaalsContact O-CB 3.25Å; V200-K204 WeakPolarHBondContact O-CB 3.47Å; V200-K204 PolarHBondContact O-N 3.46Å; E201-K204 WeakPolarHBondContact OE1-CD 3.26Å; E201-K204 IonicContact OE1-NZ 2.72Å; E201-K204 PolarHBondContact OE1-NZ 3.11Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.29Å; K204-N206 PolarHBondContact O-N 3.34Å; K204-N207 PolarHBondContact O-N 3.41Å; K204-N207 VanDerWaalsContact O-N 3.08Å; K204-N235 WeakPolarHBondContact CD-OD1 3.36Å; K204-N235 WeakPolarHBondContact CE-OD1 3.29Å; K204-N235 PolarHBondContact NZ-OD1 2.95Å
205	K	89.9	Confident	95.1	Very high	111 Å²	111	25.2 Å²	25.2	48%	0.483	12%	0.12	S	C	.	.	H	α-helix	trans	-57.8	-31.4	179	-173.1	175.9	179.4	-177.5	0	112.1	E201 I202	E201-K205 VanDerWaalsContact O-CB 3.3Å; E201-K205 WeakPolarHBondContact O-CB 3.33Å; E201-K205 PolarHBondContact O-N 3.45Å; I202-K205 PolarHBondContact O-N 3.38Å
206	N	88.7	Confident	95	Very high	37 Å²	37	25.3 Å²	25.3	20%	0.198	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.2	-179.4	-64.4	-69.9	0	0	0	114.3	I202 L203 K204 W208	I202-N206 PolarHBondContact O-N 3.13Å; I202-N206 PolarHBondContact O-ND2 3.49Å; L203-N206 PolarHBondContact O-N 2.92Å; K204-N206 PolarHBondContact O-N 3.34Å; N206-W208 HydrophobicContact CB-CD2 3.56Å; N206-W208 HydrophobicContact CB-CE3 3.85Å; N206-W208 HydrophobicContact CB-CG 4.06Å; N206-W208 HydrophobicContact CB-CH2 4.16Å; N206-W208 HydrophobicContact CB-CZ2 3.88Å; N206-W208 HydrophobicContact CB-CZ3 4.15Å; N206-W208 PolarHBondContact O-N 3.4Å
207	N	90.4	Very high	94.9	Very high	111 Å²	111	28.5 Å²	28.5	59%	0.594	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.9	-176.1	-66.8	-41.1	0	0	0	114.2	L203 K204 K493	L203-N207 PolarHBondContact O-N 3.46Å; K204-N207 PolarHBondContact O-N 3.41Å; K204-N207 VanDerWaalsContact O-N 3.08Å; N207-K493 WeakPolarHBondContact O-CE 3.16Å
208	W	93.9	Very high	94.6	Very high	6 Å²	6	26.8 Å²	26.8	2%	0.023	13%	0.133	C	C	.	.			trans	-87.8	109	174.8	-62.7	-25.6	0	0	0	109.7	L203 N206 V211 V273 V300 I487 V490	L203-W208 HydrophobicContact CD2-CB 4.27Å; L203-W208 HydrophobicContact CD2-CE3 3.86Å; L203-W208 PolarHBondContact O-N 3.2Å; N206-W208 HydrophobicContact CB-CD2 3.56Å; N206-W208 HydrophobicContact CB-CE3 3.85Å; N206-W208 HydrophobicContact CB-CG 4.06Å; N206-W208 HydrophobicContact CB-CH2 4.16Å; N206-W208 HydrophobicContact CB-CZ2 3.88Å; N206-W208 HydrophobicContact CB-CZ3 4.15Å; N206-W208 PolarHBondContact O-N 3.4Å; W208-V211 HydrophobicContact CB-CG1 4.4Å; W208-V273 HydrophobicContact CB-CG2 4.48Å; W208-V273 HydrophobicContact CD2-CG1 4.49Å; W208-V273 HydrophobicContact CD2-CG2 3.49Å; W208-V273 VanDerWaalsContact CD2-CG2 3.49Å; W208-V273 HydrophobicContact CE3-CB 4.37Å; W208-V273 HydrophobicContact CE3-CG1 3.87Å; W208-V273 HydrophobicContact CE3-CG2 3.64Å; W208-V273 HydrophobicContact CG-CG2 3.89Å; W208-V273 HydrophobicContact CH2-CG2 4.3Å; W208-V273 HydrophobicContact CZ2-CG2 4.18Å; W208-V273 HydrophobicContact CZ3-CG1 4.18Å; W208-V273 HydrophobicContact CZ3-CG2 4.05Å; W208-V300 HydrophobicContact CH2-CG1 3.92Å; W208-V300 HydrophobicContact CZ3-CG1 4.23Å; W208-I487 HydrophobicContact CH2-CB 4.15Å; W208-I487 HydrophobicContact CH2-CD1 3.82Å; W208-I487 HydrophobicContact CH2-CG2 4.35Å; W208-I487 HydrophobicContact CZ2-CB 4.14Å; W208-I487 HydrophobicContact CZ2-CD1 4.32Å; W208-V490 HydrophobicContact CZ2-CB 4.03Å; W208-V490 HydrophobicContact CZ2-CG1 4.09Å; W208-V490 PolarHBondContact NE1-O 2.83Å
209	T	94.3	Very high	94.5	Very high	39 Å²	39	31.2 Å²	31.2	24%	0.239	15%	0.154	C	C	.	.			trans	-113.1	-6.2	-173	59.3	0	0	0	0	113.6	C238 S492	T209-C238 PolarHBondContact O-N 3.36Å; T209-S492 PolarHBondContact N-O 2.99Å; T209-S492 VanDerWaalsContact N-O 3.11Å
210	W	95.9	Very high	94.4	Very high	32 Å²	32	31.9 Å²	31.9	12%	0.121	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	102.3	179.9	-170.5	-114	0	0	0	109.9	C238 A240 S492 C494 P510 C512	W210-C238 HydrophobicContact CE3-CB 3.71Å; W210-C238 HydrophobicContact CZ3-CB 3.63Å; W210-A240 HydrophobicContact CD2-CB 4.17Å; W210-A240 VanDerWaalsContact CE2-CB 3.47Å; W210-A240 HydrophobicContact CH2-CB 4.22Å; W210-A240 VanDerWaalsContact CZ2-CA 3.43Å; W210-A240 HydrophobicContact CZ2-CB 3.52Å; W210-S492 PolarHBondContact N-O 2.61Å; W210-S492 WeakPolarHBondContact O-CB 3.38Å; W210-S492 PolarHBondContact O-OG 3.04Å; W210-C494 HydrophobicContact CB-CB 4.14Å; W210-C494 HydrophobicContact CD2-CB 3.75Å; W210-C494 HydrophobicContact CE3-CB 3.97Å; W210-C494 HydrophobicContact CG-CB 3.83Å; W210-P510 HydrophobicContact CZ3-CG 4.34Å; W210-C512 VanDerWaalsContact CE3-SG 3.56Å
211	V	97.4	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.3	-171.4	-55.8	0	0	0	0	112.4	L203 W208 I237 C238 F239 A240 V273 V275	L203-V211 HydrophobicContact CD1-CG1 4.41Å; L203-V211 HydrophobicContact CD1-CG2 4.3Å; L203-V211 HydrophobicContact CD2-CG1 3.87Å; W208-V211 HydrophobicContact CB-CG1 4.4Å; V211-I237 HydrophobicContact CG2-CG2 4.32Å; V211-C238 PolarHBondContact N-O 2.91Å; V211-C238 VanDerWaalsContact N-O 3.17Å; V211-F239 HydrophobicContact CG2-CD1 3.55Å; V211-F239 HydrophobicContact CG2-CE1 3.93Å; V211-F239 CarbonylContact O-C 3.54Å; V211-F239 VanDerWaalsContact O-CA 3.27Å; V211-F239 WeakPolarHBondContact O-CA 3.41Å; V211-A240 PolarHBondContact O-N 2.9Å; V211-V273 WeakPolarHBondContact CA-O 3.26Å; V211-V273 HydrophobicContact CG1-CB 4.01Å; V211-V273 HydrophobicContact CG1-CG1 4.05Å; V211-V275 HydrophobicContact CG2-CG2 4.48Å
212	G	97.9	Very high	94.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	151	169.5	0	0	0	0	0	111.1	V273 I274 V275	G212-V273 PolarHBondContact N-O 3.42Å; G212-I274 CarbonylContact O-C 3.59Å; G212-I274 WeakPolarHBondContact O-CA 3.32Å; G212-V275 PolarHBondContact O-N 3.23Å
213	V	98.5	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.5	174.4	-174.9	0	0	0	0	109.8	V225 L228 F239 Y241 I242 N243 V275	V213-V225 HydrophobicContact CG1-CG2 3.87Å; V213-L228 HydrophobicContact CG1-CD2 4.4Å; V213-L228 HydrophobicContact CG2-CD2 4.01Å; V213-F239 HydrophobicContact CG2-CB 4.21Å; V213-F239 HydrophobicContact CG2-CD1 3.84Å; V213-F239 HydrophobicContact CG2-CD2 4.04Å; V213-F239 HydrophobicContact CG2-CE1 4.23Å; V213-F239 HydrophobicContact CG2-CE2 4.39Å; V213-F239 HydrophobicContact CG2-CG 3.76Å; V213-F239 HydrophobicContact CG2-CZ 4.5Å; V213-Y241 PolarHBondContact N-O 2.82Å; V213-I242 HydrophobicContact CB-CB 4.47Å; V213-I242 HydrophobicContact CB-CG1 4.19Å; V213-I242 HydrophobicContact CB-CG2 4.3Å; V213-I242 HydrophobicContact CG1-CG2 4.27Å; V213-I242 WeakPolarHBondContact O-CA 3.26Å; V213-N243 PolarHBondContact O-N 3.36Å; V213-V275 WeakPolarHBondContact CA-O 3.19Å
214	V	98.4	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.9	173.4	-175.5	0	0	0	0	108.5	Y241 N243 L245 T261 I274 V275 S276 F277 A278 I286	V214-Y241 HydrophobicContact CG2-CE2 4.33Å; V214-N243 WeakPolarHBondContact CA-O 3.44Å; V214-L245 HydrophobicContact CG1-CD1 3.77Å; V214-L245 HydrophobicContact CG1-CG 4.16Å; V214-T261 HydrophobicContact CG1-CG2 4.19Å; V214-T261 HydrophobicContact CG2-CG2 3.68Å; V214-I274 HydrophobicContact CG2-CG2 4.07Å; V214-V275 PolarHBondContact N-O 3.12Å; V214-S276 CarbonylContact O-C 3.5Å; V214-S276 VanDerWaalsContact O-CA 3.28Å; V214-S276 WeakPolarHBondContact O-CA 3.45Å; V214-F277 PolarHBondContact O-N 3.44Å; V214-A278 HydrophobicContact CG1-CB 4.43Å; V214-I286 HydrophobicContact CG1-CD1 3.79Å
215	A	97.9	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.5	178.7	0	0	0	0	0	110.8	V225 N243 F244 L245 F277	A215-V225 HydrophobicContact CB-CG2 3.54Å; A215-N243 PolarHBondContact N-O 3Å; A215-F244 HydrophobicContact CB-CD1 4.07Å; A215-F244 HydrophobicContact CB-CE1 3.95Å; A215-F244 CarbonylContact O-C 3.43Å; A215-F244 VanDerWaalsContact O-CA 3.3Å; A215-F244 WeakPolarHBondContact O-CA 3.45Å; A215-L245 PolarHBondContact O-N 3.01Å; A215-F277 HydrophobicContact CB-CB 4.02Å
216	T	94.7	Very high	95.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.5	166.8	-56.8	0	0	0	0	109.8	G218 G221 L245 E247 A278 K279 H282	T216-G218 PolarHBondContact O-N 3.43Å; T216-G221 WeakPolarHBondContact O-CA 3.22Å; T216-L245 CarbonylContact C-O 3.51Å; T216-L245 WeakPolarHBondContact CA-O 3.36Å; T216-E247 WeakPolarHBondContact CG2-OE2 3.34Å; T216-A278 WeakPolarHBondContact OG1-CA 3.44Å; T216-K279 HydrophobicContact CG2-CD 4.38Å; T216-K279 HydrophobicContact CG2-CG 4.48Å; T216-K279 PolarHBondContact OG1-N 3.32Å; T216-K279 VanDerWaalsContact OG1-N 3.09Å; T216-H282 PolarHBondContact OG1-ND1 2.89Å
217	D	94.3	Very high	95.9	Very high	66 Å²	66	33.3 Å²	33.3	35%	0.353	16%	0.157	S	C	.	.	S	Bend	trans	-78.9	61.6	-179.9	-163.9	1.7	0	0	0	112.4	R222 F244 L245	D217-R222 IonicContact OD1-CZ 2.65Å; D217-R222 IonicContact OD1-NE 3.9Å; D217-R222 PolarHBondContact OD1-NE 3.23Å; D217-R222 IonicContact OD1-NH2 3.65Å; D217-R222 PolarHBondContact OD1-NH2 3.38Å; D217-R222 IonicContact OD2-CZ 3.65Å; D217-R222 IonicContact OD2-NH2 3.74Å; D217-R222 PolarHBondContact OD2-NH2 3.02Å; D217-F244 HydrophobicContact CB-CB 4.15Å; D217-L245 VanDerWaalsContact CB-O 3.27Å; D217-L245 WeakPolarHBondContact CB-O 3.28Å; D217-L245 PolarHBondContact N-O 2.96Å
218	G	91.3	Very high	96.3	Very high	10 Å²	10	28 Å²	28	10%	0.103	13%	0.128	C	C	.	.	S	Bend	trans	-129.3	175.8	175.6	0	0	0	0	0	111.8	E150 T216 Y220 G221 R222 E247	E150-G218 VanDerWaalsContact OE1-C 3.31Å; E150-G218 WeakPolarHBondContact OE1-CA 3.36Å; T216-G218 PolarHBondContact O-N 3.43Å; G218-Y220 PolarHBondContact O-N 3.14Å; G218-G221 PolarHBondContact O-N 3.05Å; G218-R222 VanDerWaalsContact O-CB 3.23Å; G218-R222 WeakPolarHBondContact O-CB 3.45Å; G218-R222 WeakPolarHBondContact O-CG 3.49Å; G218-R222 PolarHBondContact O-N 3.29Å; G218-E247 WeakPolarHBondContact CA-OE2 3.25Å
219	E	93.2	Very high	96.5	Very high	94 Å²	94	33.9 Å²	33.9	44%	0.439	15%	0.15	S	C	.	.	H	α-helix	trans	-61.3	-29.4	177.7	-67.7	-68.6	165.6	0	0	112.8	E150 I153 S173 Y223	E150-E219 HydrophobicContact CG-CB 4.11Å; E150-E219 HydrophobicContact CG-CG 4.38Å; E150-E219 PolarHBondContact OE1-N 3.43Å; I153-E219 HydrophobicContact CD1-CB 3.65Å; I153-E219 HydrophobicContact CD1-CG 3.7Å; S173-E219 PolarHBondContact OG-O 3.39Å; E219-Y223 WeakPolarHBondContact O-CB 3.41Å; E219-Y223 PolarHBondContact O-N 2.9Å
220	Y	95.3	Very high	96.6	Very high	15 Å²	15	35.7 Å²	35.7	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-67.6	-61.2	170.3	165.5	-106.3	0	0	0	111	E150 T172 D192 G218 R222 Y223 A224 F277 S304 D305 N306	E150-Y220 WeakPolarHBondContact OE1-CB 3.4Å; E150-Y220 PolarHBondContact OE1-N 2.93Å; T172-Y220 WeakPolarHBondContact OG1-CD2 3.32Å; T172-Y220 WeakPolarHBondContact OG1-CE2 3.41Å; D192-Y220 WeakPolarHBondContact OD1-CE2 3.41Å; D192-Y220 VanDerWaalsContact OD2-CD2 3.24Å; D192-Y220 WeakPolarHBondContact OD2-CD2 3.46Å; D192-Y220 WeakPolarHBondContact OD2-CE2 3.26Å; G218-Y220 PolarHBondContact O-N 3.14Å; Y220-R222 PolarHBondContact O-N 3.44Å; Y220-Y223 PolarHBondContact O-N 3.48Å; Y220-A224 WeakPolarHBondContact O-CB 3.5Å; Y220-A224 PolarHBondContact O-N 3.06Å; Y220-F277 HydrophobicContact CE1-CB 4.11Å; Y220-F277 WeakPolarHBondContact CE1-O 3.45Å; Y220-S304 WeakPolarHBondContact OH-CB 3.04Å; Y220-S304 PolarHBondContact OH-OG 3.38Å; Y220-S304 VanDerWaalsContact OH-OG 3.1Å; Y220-D305 PolarHBondContact OH-OD1 3.44Å; Y220-N306 HydrophobicContact CE1-CB 3.94Å
221	G	95.8	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-39.2	-172.6	0	0	0	0	0	113.3	T216 G218 V225	T216-G221 WeakPolarHBondContact O-CA 3.22Å; G218-G221 PolarHBondContact O-N 3.05Å; G221-V225 WeakPolarHBondContact O-CB 3.32Å; G221-V225 WeakPolarHBondContact O-CG2 3.48Å; G221-V225 PolarHBondContact O-N 2.99Å
222	R	96.5	Very high	96.6	Very high	111 Å²	111	35.1 Å²	35.1	42%	0.419	16%	0.155	S	C	.	.	H	α-helix	trans	-62.4	-49.1	175.6	-70.5	-83.5	-174.9	-161.1	2.5	111.4	D217 G218 Y220 V225 E226 F244	D217-R222 IonicContact OD1-CZ 2.65Å; D217-R222 IonicContact OD1-NE 3.9Å; D217-R222 PolarHBondContact OD1-NE 3.23Å; D217-R222 IonicContact OD1-NH2 3.65Å; D217-R222 PolarHBondContact OD1-NH2 3.38Å; D217-R222 IonicContact OD2-CZ 3.65Å; D217-R222 IonicContact OD2-NH2 3.74Å; D217-R222 PolarHBondContact OD2-NH2 3.02Å; G218-R222 VanDerWaalsContact O-CB 3.23Å; G218-R222 WeakPolarHBondContact O-CB 3.45Å; G218-R222 WeakPolarHBondContact O-CG 3.49Å; G218-R222 PolarHBondContact O-N 3.29Å; Y220-R222 PolarHBondContact O-N 3.44Å; R222-V225 PolarHBondContact O-N 3.2Å; R222-E226 WeakPolarHBondContact O-CB 3.38Å; R222-E226 PolarHBondContact O-N 2.94Å; R222-F244 HydrophobicContact CG-CE1 4.12Å
223	Y	96.9	Very high	96.4	Very high	47 Å²	47	38.6 Å²	38.6	18%	0.184	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-49.3	178.8	-178.9	-93.8	0	0	0	111.1	G174 D192 E219 Y220 V225 E226 R227	G174-Y223 VanDerWaalsContact CA-CZ 3.47Å; D192-Y223 HydrophobicContact CB-CD1 4Å; D192-Y223 HydrophobicContact CB-CE1 4.11Å; E219-Y223 WeakPolarHBondContact O-CB 3.41Å; E219-Y223 PolarHBondContact O-N 2.9Å; Y220-Y223 PolarHBondContact O-N 3.48Å; Y223-V225 VanDerWaalsContact C-N 3.34Å; Y223-V225 PolarHBondContact O-N 3.42Å; Y223-E226 WeakPolarHBondContact O-CB 3.44Å; Y223-E226 PolarHBondContact O-N 2.92Å; Y223-E226 VanDerWaalsContact O-N 3.12Å; Y223-R227 HydrophobicContact CD1-CG 3.98Å; Y223-R227 HydrophobicContact CE1-CG 3.52Å; Y223-R227 HydrophobicContact CE2-CG 4.22Å; Y223-R227 HydrophobicContact CG-CG 4.48Å; Y223-R227 WeakPolarHBondContact O-CG 3.46Å; Y223-R227 PolarHBondContact O-N 3.43Å
224	A	97.3	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-42.8	179.8	0	0	0	0	0	112.4	D192 Y220 R227 L228 F277	D192-A224 HydrophobicContact CB-CB 4.15Å; Y220-A224 WeakPolarHBondContact O-CB 3.5Å; Y220-A224 PolarHBondContact O-N 3.06Å; A224-R227 PolarHBondContact O-N 3.29Å; A224-L228 WeakPolarHBondContact O-CB 3.45Å; A224-L228 PolarHBondContact O-N 3.44Å; A224-F277 HydrophobicContact CB-CB 4.45Å; A224-F277 HydrophobicContact CB-CD1 3.56Å; A224-F277 HydrophobicContact CB-CD2 4.21Å; A224-F277 HydrophobicContact CB-CE1 3.72Å; A224-F277 HydrophobicContact CB-CE2 4.31Å; A224-F277 HydrophobicContact CB-CG 3.83Å; A224-F277 HydrophobicContact CB-CZ 4.08Å
225	V	98.2	Very high	96	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-39	175.7	170.7	0	0	0	0	112	V213 A215 G221 R222 Y223 L228 R229 I242 F244 F277	V213-V225 HydrophobicContact CG1-CG2 3.87Å; A215-V225 HydrophobicContact CB-CG2 3.54Å; G221-V225 WeakPolarHBondContact O-CB 3.32Å; G221-V225 WeakPolarHBondContact O-CG2 3.48Å; G221-V225 PolarHBondContact O-N 2.99Å; R222-V225 PolarHBondContact O-N 3.2Å; Y223-V225 VanDerWaalsContact C-N 3.34Å; Y223-V225 PolarHBondContact O-N 3.42Å; V225-L228 PolarHBondContact O-N 3.47Å; V225-R229 WeakPolarHBondContact O-CB 3.37Å; V225-R229 PolarHBondContact O-N 3.44Å; V225-I242 HydrophobicContact CG1-CD1 4.37Å; V225-I242 HydrophobicContact CG1-CG2 3.84Å; V225-F244 HydrophobicContact CB-CE1 4.47Å; V225-F244 HydrophobicContact CB-CZ 4.11Å; V225-F244 HydrophobicContact CG1-CZ 3.96Å; V225-F244 HydrophobicContact CG2-CE1 4.25Å; V225-F244 HydrophobicContact CG2-CZ 4.21Å; V225-F277 HydrophobicContact CG2-CD2 3.95Å; V225-F277 HydrophobicContact CG2-CE2 4.41Å
226	E	97.9	Very high	95.6	Very high	115 Å²	115	51 Å²	51	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-46.2	175.4	-173	-175.3	168.2	0	0	111.3	R222 Y223 R229 H230	R222-E226 WeakPolarHBondContact O-CB 3.38Å; R222-E226 PolarHBondContact O-N 2.94Å; Y223-E226 WeakPolarHBondContact O-CB 3.44Å; Y223-E226 PolarHBondContact O-N 2.92Å; Y223-E226 VanDerWaalsContact O-N 3.12Å; E226-R229 WeakPolarHBondContact O-CB 3.34Å; E226-R229 PolarHBondContact O-N 3.23Å; E226-H230 PolarHBondContact O-N 3.09Å
227	R	98	Very high	95.7	Very high	49 Å²	49	51.3 Å²	51.3	19%	0.185	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-40.5	176.3	-61.5	-42	-53.7	164.4	0.2	111.9	D193 A196 Y223 A224 R229 H230 H231	D193-R227 HydrophobicContact CB-CG 4.21Å; D193-R227 IonicContact OD1-CZ 2.75Å; D193-R227 IonicContact OD1-NE 2.99Å; D193-R227 PolarHBondContact OD1-NE 2.99Å; D193-R227 IonicContact OD1-NH2 2.68Å; D193-R227 PolarHBondContact OD1-NH2 3.24Å; A196-R227 HydrophobicContact CB-CB 3.71Å; Y223-R227 HydrophobicContact CD1-CG 3.98Å; Y223-R227 HydrophobicContact CE1-CG 3.52Å; Y223-R227 HydrophobicContact CE2-CG 4.22Å; Y223-R227 HydrophobicContact CG-CG 4.48Å; Y223-R227 WeakPolarHBondContact O-CG 3.46Å; Y223-R227 PolarHBondContact O-N 3.43Å; A224-R227 PolarHBondContact O-N 3.29Å; R227-R229 VanDerWaalsContact C-N 3.35Å; R227-R229 PolarHBondContact O-N 2.88Å; R227-H230 PolarHBondContact NH2-CD2 2.91Å; R227-H230 VanDerWaalsContact NH2-CD2 3.29Å; R227-H230 WeakPolarHBondContact O-CB 2.99Å; R227-H230 PolarHBondContact O-N 3.45Å; R227-H231 PolarHBondContact O-CD2 2.94Å; R227-H231 PolarHBondContact O-N 3.32Å; R227-H231 VanDerWaalsContact O-N 3.09Å
228	L	98.4	Very high	95.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-46.9	174.1	-172.9	77.9	0	0	0	110.6	A196 I199 V200 V213 A224 V225 H230 H231 A232 F239 V275 F277	A196-L228 HydrophobicContact CB-CB 4.27Å; I199-L228 HydrophobicContact CB-CD1 3.93Å; I199-L228 HydrophobicContact CG2-CD1 3.6Å; V200-L228 HydrophobicContact CG2-CD1 3.84Å; V213-L228 HydrophobicContact CG1-CD2 4.4Å; V213-L228 HydrophobicContact CG2-CD2 4.01Å; A224-L228 WeakPolarHBondContact O-CB 3.45Å; A224-L228 PolarHBondContact O-N 3.44Å; V225-L228 PolarHBondContact O-N 3.47Å; L228-H230 VanDerWaalsContact C-N 3.32Å; L228-H230 PolarHBondContact O-N 3.34Å; L228-H231 PolarHBondContact O-N 3.19Å; L228-A232 WeakPolarHBondContact O-CB 3.5Å; L228-A232 PolarHBondContact O-N 3.12Å; L228-F239 HydrophobicContact CB-CZ 4.5Å; L228-F239 HydrophobicContact CD2-CE1 4.07Å; L228-F239 HydrophobicContact CD2-CE2 4.31Å; L228-F239 HydrophobicContact CD2-CZ 3.69Å; L228-F239 HydrophobicContact CG-CE1 4.41Å; L228-F239 HydrophobicContact CG-CZ 3.78Å; L228-V275 HydrophobicContact CD2-CB 4.29Å; L228-V275 HydrophobicContact CD2-CG1 4.04Å; L228-V275 HydrophobicContact CD2-CG2 4.42Å; L228-F277 HydrophobicContact CB-CE2 4.28Å; L228-F277 HydrophobicContact CB-CZ 4.42Å; L228-F277 HydrophobicContact CD1-CZ 4.49Å; L228-F277 HydrophobicContact CD2-CE2 4Å
229	R	97.4	Very high	95.9	Very high	129 Å²	129	50.3 Å²	50.3	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-43.3	177.1	-171.3	-176.8	-77.3	135.7	-12.9	111.6	V225 E226 R227 A232 A233 F239	V225-R229 WeakPolarHBondContact O-CB 3.37Å; V225-R229 PolarHBondContact O-N 3.44Å; E226-R229 WeakPolarHBondContact O-CB 3.34Å; E226-R229 PolarHBondContact O-N 3.23Å; R227-R229 VanDerWaalsContact C-N 3.35Å; R227-R229 PolarHBondContact O-N 2.88Å; R229-A232 PolarHBondContact O-N 2.95Å; R229-A233 WeakPolarHBondContact O-CB 3.4Å; R229-A233 PolarHBondContact O-N 3.19Å; R229-F239 HydrophobicContact CB-CE2 3.85Å; R229-F239 HydrophobicContact CG-CE2 4.18Å
230	H	97	Very high	96	Very high	76 Å²	76	46.5 Å²	46.5	35%	0.352	23%	0.227	S	C	.	.	H	α-helix	trans	-58.6	-48.3	178.7	178.8	84.5	0	0	0	112.3	E226 R227 L228 K234	E226-H230 PolarHBondContact O-N 3.09Å; R227-H230 PolarHBondContact NH2-CD2 2.91Å; R227-H230 VanDerWaalsContact NH2-CD2 3.29Å; R227-H230 WeakPolarHBondContact O-CB 2.99Å; R227-H230 PolarHBondContact O-N 3.45Å; L228-H230 VanDerWaalsContact C-N 3.32Å; L228-H230 PolarHBondContact O-N 3.34Å; H230-K234 WeakPolarHBondContact NE2-CE 3.25Å; H230-K234 PolarHBondContact NE2-NZ 2.98Å
231	H	97.6	Very high	96.1	Very high	19 Å²	19	46.3 Å²	46.3	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-74.6	-36.2	-179.8	-66.7	-57.1	0	0	0	112.5	D193 F197 V200 R227 L228 K234 N235	D193-H231 PolarHBondContact O-NE2 3.08Å; D193-H231 IonicContact OD1-CD2 3.13Å; D193-H231 IonicContact OD1-CE1 3.31Å; D193-H231 IonicContact OD1-NE2 2.85Å; D193-H231 PolarHBondContact OD1-NE2 3.41Å; D193-H231 IonicContact OD2-NE2 3.21Å; F197-H231 AromaticContact CD2-CE1 3.87Å; F197-H231 AromaticContact CD2-ND1 3.77Å; V200-H231 HydrophobicContact CB-CB 4.07Å; V200-H231 HydrophobicContact CG1-CB 4.19Å; V200-H231 HydrophobicContact CG2-CB 3.74Å; R227-H231 PolarHBondContact O-CD2 2.94Å; R227-H231 PolarHBondContact O-N 3.32Å; R227-H231 VanDerWaalsContact O-N 3.09Å; L228-H231 PolarHBondContact O-N 3.19Å; H231-K234 PolarHBondContact O-N 3.5Å; H231-N235 PolarHBondContact O-ND2 3.41Å
232	A	96.9	Very high	96.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-42.1	178.3	0	0	0	0	0	112.3	V200 L228 R229 K234 N235 S236 I237 F239	V200-A232 HydrophobicContact CG2-CB 4.21Å; L228-A232 WeakPolarHBondContact O-CB 3.5Å; L228-A232 PolarHBondContact O-N 3.12Å; R229-A232 PolarHBondContact O-N 2.95Å; A232-K234 VanDerWaalsContact C-N 3.26Å; A232-K234 PolarHBondContact O-N 3.49Å; A232-N235 CarbonylContact O-C 3.16Å; A232-N235 PolarHBondContact O-N 2.94Å; A232-S236 PolarHBondContact O-N 3.47Å; A232-I237 HydrophobicContact CB-CB 3.99Å; A232-I237 HydrophobicContact CB-CG2 4.21Å; A232-I237 PolarHBondContact O-N 3Å; A232-I237 VanDerWaalsContact O-N 3.1Å; A232-F239 HydrophobicContact CB-CE1 3.73Å; A232-F239 HydrophobicContact CB-CZ 3.51Å
233	A	93.5	Very high	96.2	Very high	74 Å²	74	43.7 Å²	43.7	61%	0.612	22%	0.22	S	C	*	.	H	α-helix	trans	-59.6	-36.1	178.5	0	0	0	0	0	112.6	R229 N235	R229-A233 WeakPolarHBondContact O-CB 3.4Å; R229-A233 PolarHBondContact O-N 3.19Å; A233-N235 PolarHBondContact O-N 3.3Å
234	K	94.2	Very high	96.2	Very high	142 Å²	142	44 Å²	44	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.2	176.6	-70	175.6	173.6	172.8	0	113.7	H230 H231 A232	H230-K234 WeakPolarHBondContact NE2-CE 3.25Å; H230-K234 PolarHBondContact NE2-NZ 2.98Å; H231-K234 PolarHBondContact O-N 3.5Å; A232-K234 VanDerWaalsContact C-N 3.26Å; A232-K234 PolarHBondContact O-N 3.49Å
235	N	93.1	Very high	96.2	Very high	46 Å²	46	44 Å²	44	25%	0.246	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	18.2	-176.3	-67.4	-82.7	0	0	0	112.5	V200 K204 H231 A232 A233 I237	V200-N235 HydrophobicContact CG1-CB 4.22Å; K204-N235 WeakPolarHBondContact CD-OD1 3.36Å; K204-N235 WeakPolarHBondContact CE-OD1 3.29Å; K204-N235 PolarHBondContact NZ-OD1 2.95Å; H231-N235 PolarHBondContact O-ND2 3.41Å; A232-N235 CarbonylContact O-C 3.16Å; A232-N235 PolarHBondContact O-N 2.94Å; A233-N235 PolarHBondContact O-N 3.3Å; N235-I237 HydrophobicContact CB-CD1 4.09Å; N235-I237 HydrophobicContact CB-CG1 4.47Å; N235-I237 PolarHBondContact O-N 2.76Å
236	S	90.8	Very high	95.9	Very high	73 Å²	73	44.5 Å²	44.5	51%	0.51	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.2	178.8	-58.2	0	0	0	0	114.3	A232	A232-S236 PolarHBondContact O-N 3.47Å
237	I	95.6	Very high	95.3	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.046	21%	0.206	C	C	.	.			trans	-98.5	130.6	174.4	-62.5	160.8	0	0	0	108	V200 L203 V211 A232 N235 F239	V200-I237 HydrophobicContact CG1-CD1 4.09Å; L203-I237 HydrophobicContact CB-CD1 3.74Å; L203-I237 HydrophobicContact CD1-CD1 4.35Å; L203-I237 HydrophobicContact CD1-CG2 4.14Å; V211-I237 HydrophobicContact CG2-CG2 4.32Å; A232-I237 HydrophobicContact CB-CB 3.99Å; A232-I237 HydrophobicContact CB-CG2 4.21Å; A232-I237 PolarHBondContact O-N 3Å; A232-I237 VanDerWaalsContact O-N 3.1Å; N235-I237 HydrophobicContact CB-CD1 4.09Å; N235-I237 HydrophobicContact CB-CG1 4.47Å; N235-I237 PolarHBondContact O-N 2.76Å; I237-F239 HydrophobicContact CG2-CE1 4.29Å
238	C	95.2	Very high	94.5	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.135	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	159.1	175.3	-47.2	0	0	0	0	111.8	T209 W210 V211 P510 C512	T209-C238 PolarHBondContact O-N 3.36Å; W210-C238 HydrophobicContact CE3-CB 3.71Å; W210-C238 HydrophobicContact CZ3-CB 3.63Å; V211-C238 PolarHBondContact N-O 2.91Å; V211-C238 VanDerWaalsContact N-O 3.17Å; C238-P510 HydrophobicContact CB-CB 4.3Å; C238-P510 VanDerWaalsContact SG-CB 3.58Å; C238-C512 HydrophobicContact CB-CB 4.02Å; C238-C512 WeakPolarHBondContact CB-SG 3.46Å; C238-C512 WeakPolarHBondContact SG-CB 3.33Å; C238-C512 PolarHBondContact SG-N 3.37Å; C238-C512 CovalentContact SG-SG 2.02Å; C238-C512 PolarHBondContact SG-SG 2.88Å
239	F	95.8	Very high	93.6	Very high	34 Å²	34	43.4 Å²	43.4	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.8	174.7	-50.4	-30.7	0	0	0	109.7	V211 V213 L228 R229 A232 I237 I242	V211-F239 HydrophobicContact CG2-CD1 3.55Å; V211-F239 HydrophobicContact CG2-CE1 3.93Å; V211-F239 CarbonylContact O-C 3.54Å; V211-F239 VanDerWaalsContact O-CA 3.27Å; V211-F239 WeakPolarHBondContact O-CA 3.41Å; V213-F239 HydrophobicContact CG2-CB 4.21Å; V213-F239 HydrophobicContact CG2-CD1 3.84Å; V213-F239 HydrophobicContact CG2-CD2 4.04Å; V213-F239 HydrophobicContact CG2-CE1 4.23Å; V213-F239 HydrophobicContact CG2-CE2 4.39Å; V213-F239 HydrophobicContact CG2-CG 3.76Å; V213-F239 HydrophobicContact CG2-CZ 4.5Å; L228-F239 HydrophobicContact CB-CZ 4.5Å; L228-F239 HydrophobicContact CD2-CE1 4.07Å; L228-F239 HydrophobicContact CD2-CE2 4.31Å; L228-F239 HydrophobicContact CD2-CZ 3.69Å; L228-F239 HydrophobicContact CG-CE1 4.41Å; L228-F239 HydrophobicContact CG-CZ 3.78Å; R229-F239 HydrophobicContact CB-CE2 3.85Å; R229-F239 HydrophobicContact CG-CE2 4.18Å; A232-F239 HydrophobicContact CB-CE1 3.73Å; A232-F239 HydrophobicContact CB-CZ 3.51Å; I237-F239 HydrophobicContact CG2-CE1 4.29Å; F239-I242 HydrophobicContact CB-CD1 4.47Å; F239-I242 HydrophobicContact CB-CG1 4.04Å; F239-I242 HydrophobicContact CD2-CD1 3.75Å; F239-I242 HydrophobicContact CD2-CG1 4.03Å; F239-I242 HydrophobicContact CG-CG1 4.44Å
240	A	95.3	Very high	92.6	Very high	14 Å²	14	41 Å²	41	12%	0.116	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-51.8	173.6	0	0	0	0	0	109.5	W210 V211 R268 V271	W210-A240 HydrophobicContact CD2-CB 4.17Å; W210-A240 VanDerWaalsContact CE2-CB 3.47Å; W210-A240 HydrophobicContact CH2-CB 4.22Å; W210-A240 VanDerWaalsContact CZ2-CA 3.43Å; W210-A240 HydrophobicContact CZ2-CB 3.52Å; V211-A240 PolarHBondContact O-N 2.9Å; A240-R268 PolarHBondContact O-NH1 3.17Å; A240-V271 HydrophobicContact CB-CG2 3.47Å; A240-V271 VanDerWaalsContact CB-CG2 3.47Å
241	Y	96.2	Very high	91.8	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.2	177.2	55.7	-90.3	0	0	0	108.9	V213 V214 N243 N264 I265 V271	V213-Y241 PolarHBondContact N-O 2.82Å; V214-Y241 HydrophobicContact CG2-CE2 4.33Å; Y241-N243 WeakPolarHBondContact CD2-OD1 3.31Å; Y241-N264 HydrophobicContact CD1-CB 4.02Å; Y241-N264 HydrophobicContact CD2-CB 4.14Å; Y241-N264 HydrophobicContact CE1-CB 4.27Å; Y241-N264 HydrophobicContact CE2-CB 4.39Å; Y241-N264 HydrophobicContact CG-CB 3.95Å; Y241-I265 HydrophobicContact CE2-CG1 4.41Å; Y241-I265 WeakPolarHBondContact OH-CG1 3.45Å; Y241-V271 HydrophobicContact CE1-CG1 4.27Å; Y241-V271 HydrophobicContact CE1-CG2 4.44Å
242	I	97.6	Very high	91.2	Very high	44 Å²	44	46.2 Å²	46.2	23%	0.226	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	111.2	170.7	-53.6	171.8	0	0	0	105.2	V213 V225 F239 F244	V213-I242 HydrophobicContact CB-CB 4.47Å; V213-I242 HydrophobicContact CB-CG1 4.19Å; V213-I242 HydrophobicContact CB-CG2 4.3Å; V213-I242 HydrophobicContact CG1-CG2 4.27Å; V213-I242 WeakPolarHBondContact O-CA 3.26Å; V225-I242 HydrophobicContact CG1-CD1 4.37Å; V225-I242 HydrophobicContact CG1-CG2 3.84Å; F239-I242 HydrophobicContact CB-CD1 4.47Å; F239-I242 HydrophobicContact CB-CG1 4.04Å; F239-I242 HydrophobicContact CD2-CD1 3.75Å; F239-I242 HydrophobicContact CD2-CG1 4.03Å; F239-I242 HydrophobicContact CG-CG1 4.44Å; I242-F244 HydrophobicContact CG2-CD2 4.16Å; I242-F244 HydrophobicContact CG2-CE2 3.58Å; I242-F244 HydrophobicContact CG2-CZ 4.04Å
243	N	97.9	Very high	90.9	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.064	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.2	179	-79.6	58.1	0	0	0	108.9	V213 V214 A215 Y241 T261 N264	V213-N243 PolarHBondContact O-N 3.36Å; V214-N243 WeakPolarHBondContact CA-O 3.44Å; A215-N243 PolarHBondContact N-O 3Å; Y241-N243 WeakPolarHBondContact CD2-OD1 3.31Å; N243-T261 HydrophobicContact CB-CG2 4.22Å; N243-T261 WeakPolarHBondContact CB-OG1 3.26Å; N243-T261 WeakPolarHBondContact ND2-CA 3.24Å; N243-T261 PolarHBondContact ND2-OG1 3.41Å; N243-T261 VanDerWaalsContact ND2-OG1 3.11Å; N243-N264 PolarHBondContact ND2-ND2 3.34Å; N243-N264 PolarHBondContact OD1-ND2 3.24Å
244	F	97.1	Very high	90.8	Very high	53 Å²	53	45.5 Å²	45.5	23%	0.232	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.2	172	-74.7	-81	0	0	0	108.6	A215 D217 R222 V225 I242	A215-F244 HydrophobicContact CB-CD1 4.07Å; A215-F244 HydrophobicContact CB-CE1 3.95Å; A215-F244 CarbonylContact O-C 3.43Å; A215-F244 VanDerWaalsContact O-CA 3.3Å; A215-F244 WeakPolarHBondContact O-CA 3.45Å; D217-F244 HydrophobicContact CB-CB 4.15Å; R222-F244 HydrophobicContact CG-CE1 4.12Å; V225-F244 HydrophobicContact CB-CE1 4.47Å; V225-F244 HydrophobicContact CB-CZ 4.11Å; V225-F244 HydrophobicContact CG1-CZ 3.96Å; V225-F244 HydrophobicContact CG2-CE1 4.25Å; V225-F244 HydrophobicContact CG2-CZ 4.21Å; I242-F244 HydrophobicContact CG2-CD2 4.16Å; I242-F244 HydrophobicContact CG2-CE2 3.58Å; I242-F244 HydrophobicContact CG2-CZ 4.04Å
245	L	96.1	Very high	90.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	175.7	-58.1	170.5	0	0	0	108.8	V214 A215 T216 D217 I258 A278 H282 I286	V214-L245 HydrophobicContact CG1-CD1 3.77Å; V214-L245 HydrophobicContact CG1-CG 4.16Å; A215-L245 PolarHBondContact O-N 3.01Å; T216-L245 CarbonylContact C-O 3.51Å; T216-L245 WeakPolarHBondContact CA-O 3.36Å; D217-L245 VanDerWaalsContact CB-O 3.27Å; D217-L245 WeakPolarHBondContact CB-O 3.28Å; D217-L245 PolarHBondContact N-O 2.96Å; L245-I258 HydrophobicContact CD1-CD1 4.14Å; L245-I258 HydrophobicContact CD2-CD1 3.83Å; L245-I258 HydrophobicContact CD2-CG1 4.37Å; L245-A278 HydrophobicContact CD1-CB 4.29Å; L245-H282 HydrophobicContact CD1-CB 3.58Å; L245-I286 HydrophobicContact CD1-CD1 3.82Å
246	P	92.3	Very high	90.8	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.084	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-50.9	144.3	179.3	-27.2	34.5	0	0	0	112.8	F248 D251 S253 S257 H282	P246-F248 VanDerWaalsContact C-N 3.26Å; P246-F248 PolarHBondContact O-N 3.31Å; P246-D251 HydrophobicContact CB-CB 3.65Å; P246-D251 HydrophobicContact CG-CB 4.21Å; P246-S253 WeakPolarHBondContact CG-OG 3.45Å; P246-S257 WeakPolarHBondContact CD-OG 3.44Å; P246-H282 PolarHBondContact O-CE1 3.46Å; P246-H282 PolarHBondContact O-NE2 2.73Å
247	E	86.4	Confident	91.1	Very high	28 Å²	28	45.8 Å²	45.8	13%	0.131	25%	0.251	C	S	.	.	S	Bend	trans	-58.8	-36.3	-177.6	177	57.6	-156.1	0	0	113.5	T216 G218 K279	T216-E247 WeakPolarHBondContact CG2-OE2 3.34Å; G218-E247 WeakPolarHBondContact CA-OE2 3.25Å; E247-K279 VanDerWaalsContact CD-NZ 3.32Å; E247-K279 PolarHBondContact O-NZ 3Å; E247-K279 WeakPolarHBondContact OE1-CE 3.35Å; E247-K279 IonicContact OE1-NZ 2.76Å; E247-K279 PolarHBondContact OE1-NZ 3.29Å; E247-K279 IonicContact OE2-NZ 3.64Å
248	F	81.2	Confident	91.1	Very high	88 Å²	88	45.6 Å²	45.6	39%	0.386	25%	0.25	S	S	.	.	S	Bend	trans	-109.5	139.7	-173.1	-58.2	-71.9	0	0	0	112.2	P246 V250 D251	P246-F248 VanDerWaalsContact C-N 3.26Å; P246-F248 PolarHBondContact O-N 3.31Å; F248-V250 HydrophobicContact CB-CG2 4.29Å; F248-V250 PolarHBondContact O-N 3.31Å; F248-D251 VanDerWaalsContact O-CB 3.32Å; F248-D251 WeakPolarHBondContact O-CB 3.45Å; F248-D251 PolarHBondContact O-N 3.49Å
249	L	77.6	Confident	91.2	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.131	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.3	-177.1	-61	169.9	0	0	0	114.1	L254 D281 H282	L249-L254 HydrophobicContact CD2-CD2 4.24Å; L249-L254 WeakPolarHBondContact O-CD2 3.11Å; L249-D281 HydrophobicContact CD1-CB 3.53Å; L249-D281 VanDerWaalsContact CD1-CG 3.48Å; L249-D281 WeakPolarHBondContact CD1-OD2 3.36Å; L249-D281 HydrophobicContact CD2-CB 3.6Å; L249-D281 HydrophobicContact CG-CB 4.23Å; L249-H282 WeakPolarHBondContact CD2-CD2 3.31Å; L249-H282 VanDerWaalsContact CD2-NE2 3.32Å; L249-H282 WeakPolarHBondContact CD2-NE2 3.35Å
250	V	76.9	Confident	91.2	Very high	78 Å²	78	51.4 Å²	51.4	47%	0.473	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.1	178.3	-62.7	0	0	0	0	112.9	F248	F248-V250 HydrophobicContact CB-CG2 4.29Å; F248-V250 PolarHBondContact O-N 3.31Å
251	D	80.5	Confident	91.3	Very high	68 Å²	68	50.8 Å²	50.8	36%	0.364	28%	0.28	S	S	.	.			trans	-63.6	135.3	179.3	-163.9	-64.1	0	0	0	111.1	P246 F248 S253 L254	P246-D251 HydrophobicContact CB-CB 3.65Å; P246-D251 HydrophobicContact CG-CB 4.21Å; F248-D251 VanDerWaalsContact O-CB 3.32Å; F248-D251 WeakPolarHBondContact O-CB 3.45Å; F248-D251 PolarHBondContact O-N 3.49Å; D251-S253 PolarHBondContact O-N 3.5Å; D251-S253 WeakPolarHBondContact OD1-CB 3.35Å; D251-S253 PolarHBondContact OD1-N 2.91Å; D251-S253 PolarHBondContact OD1-OG 3.36Å; D251-L254 WeakPolarHBondContact O-CB 3.47Å; D251-L254 PolarHBondContact O-N 3.31Å
252	V	85.5	Confident	91.4	Very high	138 Å²	138	51.1 Å²	51.1	84%	0.836	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30	-177.8	-177.9	0	0	0	0	111.5	L254	V252-L254 VanDerWaalsContact C-N 3.35Å
253	S	90.8	Very high	91.3	Very high	48 Å²	48	55 Å²	55	34%	0.336	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.6	-177.9	68.6	0	0	0	0	114.1	P246 D251 N255 D256 S257	P246-S253 WeakPolarHBondContact CG-OG 3.45Å; D251-S253 PolarHBondContact O-N 3.5Å; D251-S253 WeakPolarHBondContact OD1-CB 3.35Å; D251-S253 PolarHBondContact OD1-N 2.91Å; D251-S253 PolarHBondContact OD1-OG 3.36Å; S253-N255 PolarHBondContact O-N 2.99Å; S253-D256 PolarHBondContact O-N 2.72Å; S253-S257 WeakPolarHBondContact O-CB 3.39Å; S253-S257 PolarHBondContact O-N 2.94Å; S253-S257 PolarHBondContact O-OG 3.01Å
254	L	90.2	Very high	91.2	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-48.5	-175.3	177.7	63	0	0	0	111.9	L249 D251 V252 D256 S257 I258	L249-L254 HydrophobicContact CD2-CD2 4.24Å; L249-L254 WeakPolarHBondContact O-CD2 3.11Å; D251-L254 WeakPolarHBondContact O-CB 3.47Å; D251-L254 PolarHBondContact O-N 3.31Å; V252-L254 VanDerWaalsContact C-N 3.35Å; L254-D256 VanDerWaalsContact C-N 3.34Å; L254-D256 PolarHBondContact O-N 3.5Å; L254-S257 WeakPolarHBondContact O-CB 3.4Å; L254-S257 PolarHBondContact O-N 2.61Å; L254-I258 HydrophobicContact CD1-CD1 4.43Å; L254-I258 HydrophobicContact CD1-CG1 4.06Å; L254-I258 HydrophobicContact CG-CG1 4.33Å; L254-I258 VanDerWaalsContact O-CG1 3.24Å; L254-I258 WeakPolarHBondContact O-CG1 3.46Å; L254-I258 PolarHBondContact O-N 3.06Å
255	N	93.1	Very high	91.2	Very high	125 Å²	125	53.2 Å²	53.2	67%	0.668	29%	0.292	S	S	*	.	H	α-helix	trans	-62.4	-42.2	-178.2	-76.3	13.2	0	0	0	111.8	S253 S257 I258 A259	S253-N255 PolarHBondContact O-N 2.99Å; N255-S257 VanDerWaalsContact C-N 3.35Å; N255-I258 PolarHBondContact O-N 2.79Å; N255-A259 WeakPolarHBondContact O-CB 3.02Å; N255-A259 PolarHBondContact O-N 3Å
256	D	95.1	Very high	91.1	Very high	121 Å²	121	53.8 Å²	53.8	65%	0.647	30%	0.295	S	S	*	.	H	α-helix	trans	-62.5	-43.3	175.9	-65	-23.9	0	0	0	111.1	S253 L254 I258 A259 E260	S253-D256 PolarHBondContact O-N 2.72Å; L254-D256 VanDerWaalsContact C-N 3.34Å; L254-D256 PolarHBondContact O-N 3.5Å; D256-I258 VanDerWaalsContact C-N 3.35Å; D256-I258 PolarHBondContact O-N 2.75Å; D256-A259 PolarHBondContact O-N 3.31Å; D256-E260 WeakPolarHBondContact O-CB 3.08Å; D256-E260 PolarHBondContact O-N 3.33Å
257	S	96.3	Very high	91.2	Very high	21 Å²	21	58.1 Å²	58.1	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-39.3	177.4	-53.2	0	0	0	0	112.4	P246 S253 L254 N255 T261	P246-S257 WeakPolarHBondContact CD-OG 3.44Å; S253-S257 WeakPolarHBondContact O-CB 3.39Å; S253-S257 PolarHBondContact O-N 2.94Å; S253-S257 PolarHBondContact O-OG 3.01Å; L254-S257 WeakPolarHBondContact O-CB 3.4Å; L254-S257 PolarHBondContact O-N 2.61Å; N255-S257 VanDerWaalsContact C-N 3.35Å; S257-T261 WeakPolarHBondContact O-CB 3.22Å; S257-T261 PolarHBondContact O-N 3.26Å; S257-T261 PolarHBondContact O-OG1 3.3Å
258	I	96.7	Very high	91.5	Very high	5 Å²	5	61 Å²	61	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-47	175.1	-66.3	-72.7	0	0	0	110	L245 L254 N255 D256 E260 T261 V262 I286 N289	L245-I258 HydrophobicContact CD1-CD1 4.14Å; L245-I258 HydrophobicContact CD2-CD1 3.83Å; L245-I258 HydrophobicContact CD2-CG1 4.37Å; L254-I258 HydrophobicContact CD1-CD1 4.43Å; L254-I258 HydrophobicContact CD1-CG1 4.06Å; L254-I258 HydrophobicContact CG-CG1 4.33Å; L254-I258 VanDerWaalsContact O-CG1 3.24Å; L254-I258 WeakPolarHBondContact O-CG1 3.46Å; L254-I258 PolarHBondContact O-N 3.06Å; N255-I258 PolarHBondContact O-N 2.79Å; D256-I258 VanDerWaalsContact C-N 3.35Å; D256-I258 PolarHBondContact O-N 2.75Å; I258-E260 VanDerWaalsContact C-N 3.34Å; I258-E260 PolarHBondContact O-N 3.07Å; I258-T261 WeakPolarHBondContact O-CB 3.45Å; I258-T261 PolarHBondContact O-N 3.39Å; I258-T261 VanDerWaalsContact O-N 3.12Å; I258-V262 HydrophobicContact CG2-CG2 4.4Å; I258-V262 WeakPolarHBondContact O-CG2 3.5Å; I258-V262 PolarHBondContact O-N 3.04Å; I258-I286 HydrophobicContact CD1-CD1 4.32Å; I258-I286 HydrophobicContact CD1-CG1 3.6Å; I258-N289 HydrophobicContact CG2-CB 4.38Å
259	A	96.4	Very high	91.9	Very high	57 Å²	57	62.8 Å²	62.8	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-42.1	178.7	0	0	0	0	0	112	N255 D256 T261 V262 K263	N255-A259 WeakPolarHBondContact O-CB 3.02Å; N255-A259 PolarHBondContact O-N 3Å; D256-A259 PolarHBondContact O-N 3.31Å; A259-T261 VanDerWaalsContact C-N 3.34Å; A259-T261 PolarHBondContact O-N 2.93Å; A259-V262 PolarHBondContact O-N 3.19Å; A259-K263 VanDerWaalsContact O-CB 3.3Å; A259-K263 WeakPolarHBondContact O-CB 3.32Å; A259-K263 PolarHBondContact O-N 2.98Å
260	E	96.9	Very high	92.5	Very high	118 Å²	118	67.6 Å²	67.6	55%	0.551	36%	0.357	S	S	*	.	H	α-helix	trans	-62.7	-41.2	173.7	-174	-178.5	173.8	0	0	111.7	D256 I258 K263 N264	D256-E260 WeakPolarHBondContact O-CB 3.08Å; D256-E260 PolarHBondContact O-N 3.33Å; I258-E260 VanDerWaalsContact C-N 3.34Å; I258-E260 PolarHBondContact O-N 3.07Å; E260-K263 PolarHBondContact O-N 3.49Å; E260-N264 WeakPolarHBondContact O-CB 3.45Å; E260-N264 PolarHBondContact O-N 3.41Å
261	T	97.1	Very high	93.3	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-47	178.2	-58.8	0	0	0	0	111.5	V214 N243 S257 I258 A259 K263 N264 I265 I286	V214-T261 HydrophobicContact CG1-CG2 4.19Å; V214-T261 HydrophobicContact CG2-CG2 3.68Å; N243-T261 HydrophobicContact CB-CG2 4.22Å; N243-T261 WeakPolarHBondContact CB-OG1 3.26Å; N243-T261 WeakPolarHBondContact ND2-CA 3.24Å; N243-T261 PolarHBondContact ND2-OG1 3.41Å; N243-T261 VanDerWaalsContact ND2-OG1 3.11Å; S257-T261 WeakPolarHBondContact O-CB 3.22Å; S257-T261 PolarHBondContact O-N 3.26Å; S257-T261 PolarHBondContact O-OG1 3.3Å; I258-T261 WeakPolarHBondContact O-CB 3.45Å; I258-T261 PolarHBondContact O-N 3.39Å; I258-T261 VanDerWaalsContact O-N 3.12Å; A259-T261 VanDerWaalsContact C-N 3.34Å; A259-T261 PolarHBondContact O-N 2.93Å; T261-K263 VanDerWaalsContact C-N 3.33Å; T261-K263 PolarHBondContact O-N 3.44Å; T261-N264 PolarHBondContact O-N 3.35Å; T261-I265 HydrophobicContact CG2-CD1 4.04Å; T261-I265 WeakPolarHBondContact O-CD1 3.22Å; T261-I265 VanDerWaalsContact O-CG1 3.3Å; T261-I265 WeakPolarHBondContact O-CG1 3.49Å; T261-I265 PolarHBondContact O-N 2.86Å; T261-I286 HydrophobicContact CG2-CD1 3.95Å; T261-I286 HydrophobicContact CG2-CG1 4.48Å
262	V	97	Very high	94	Very high	19 Å²	19	62 Å²	62	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-48.2	175	170.4	0	0	0	0	110	I258 A259 N264 I265 T266 N289 L290	I258-V262 HydrophobicContact CG2-CG2 4.4Å; I258-V262 WeakPolarHBondContact O-CG2 3.5Å; I258-V262 PolarHBondContact O-N 3.04Å; A259-V262 PolarHBondContact O-N 3.19Å; V262-N264 PolarHBondContact O-N 3.47Å; V262-I265 WeakPolarHBondContact O-CB 3.39Å; V262-I265 PolarHBondContact O-N 3.02Å; V262-I265 VanDerWaalsContact O-N 3.12Å; V262-T266 HydrophobicContact CG1-CG2 4.29Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 3.4Å; V262-T266 PolarHBondContact O-OG1 2.88Å; V262-T266 VanDerWaalsContact O-OG1 3.14Å; V262-N289 HydrophobicContact CG2-CB 3.87Å; V262-L290 HydrophobicContact CG1-CD1 4.03Å; V262-L290 HydrophobicContact CG2-CB 4.18Å
263	K	96.5	Very high	94.6	Very high	125 Å²	125	55.5 Å²	55.5	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-45.5	177.3	-176.4	179.8	178.6	-176	0	112.3	A259 E260 T261 I265 T266 D267	A259-K263 VanDerWaalsContact O-CB 3.3Å; A259-K263 WeakPolarHBondContact O-CB 3.32Å; A259-K263 PolarHBondContact O-N 2.98Å; E260-K263 PolarHBondContact O-N 3.49Å; T261-K263 VanDerWaalsContact C-N 3.33Å; T261-K263 PolarHBondContact O-N 3.44Å; K263-I265 VanDerWaalsContact C-N 3.29Å; K263-I265 PolarHBondContact O-N 3.43Å; K263-T266 WeakPolarHBondContact CA-OG1 3.26Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-T266 PolarHBondContact O-OG1 3.4Å; K263-D267 WeakPolarHBondContact CE-OD2 3.28Å; K263-D267 VanDerWaalsContact CG-OD2 3.22Å; K263-D267 WeakPolarHBondContact CG-OD2 3.47Å; K263-D267 VanDerWaalsContact O-CB 3.24Å; K263-D267 WeakPolarHBondContact O-CB 3.24Å; K263-D267 VanDerWaalsContact O-CG 3.27Å; K263-D267 PolarHBondContact O-N 3.04Å
264	N	96.3	Very high	94.9	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-35.8	177.4	-86.3	-29.2	0	0	0	112.5	Y241 N243 E260 T261 V262 R268	Y241-N264 HydrophobicContact CD1-CB 4.02Å; Y241-N264 HydrophobicContact CD2-CB 4.14Å; Y241-N264 HydrophobicContact CE1-CB 4.27Å; Y241-N264 HydrophobicContact CE2-CB 4.39Å; Y241-N264 HydrophobicContact CG-CB 3.95Å; N243-N264 PolarHBondContact ND2-ND2 3.34Å; N243-N264 PolarHBondContact OD1-ND2 3.24Å; E260-N264 WeakPolarHBondContact O-CB 3.45Å; E260-N264 PolarHBondContact O-N 3.41Å; T261-N264 PolarHBondContact O-N 3.35Å; V262-N264 PolarHBondContact O-N 3.47Å; N264-R268 WeakPolarHBondContact O-CB 3.42Å; N264-R268 VanDerWaalsContact O-CD 3.31Å; N264-R268 WeakPolarHBondContact O-CD 3.44Å; N264-R268 VanDerWaalsContact O-CG 3.32Å; N264-R268 WeakPolarHBondContact O-CG 3.28Å
265	I	95.8	Very high	95.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-45.5	174.9	-64.4	159	0	0	0	110.6	Y241 T261 V262 K263 I286 L290 W301	Y241-I265 HydrophobicContact CE2-CG1 4.41Å; Y241-I265 WeakPolarHBondContact OH-CG1 3.45Å; T261-I265 HydrophobicContact CG2-CD1 4.04Å; T261-I265 WeakPolarHBondContact O-CD1 3.22Å; T261-I265 VanDerWaalsContact O-CG1 3.3Å; T261-I265 WeakPolarHBondContact O-CG1 3.49Å; T261-I265 PolarHBondContact O-N 2.86Å; V262-I265 WeakPolarHBondContact O-CB 3.39Å; V262-I265 PolarHBondContact O-N 3.02Å; V262-I265 VanDerWaalsContact O-N 3.12Å; K263-I265 VanDerWaalsContact C-N 3.29Å; K263-I265 PolarHBondContact O-N 3.43Å; I265-I286 HydrophobicContact CD1-CG2 4.4Å; I265-L290 HydrophobicContact CB-CD1 3.93Å; I265-L290 HydrophobicContact CD1-CD1 4.18Å; I265-L290 HydrophobicContact CD1-CD2 3.98Å; I265-L290 HydrophobicContact CG2-CD1 3.69Å; I265-L290 HydrophobicContact CG2-CD2 4.18Å; I265-W301 HydrophobicContact CD1-CH2 3.96Å
266	T	94.9	Very high	95.6	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	24%	0.236	C	C	.	.	H	α-helix	trans	-77.4	-35.2	-173.8	56.1	0	0	0	0	113.7	V262 K263 R268 L290 N293 K295	V262-T266 HydrophobicContact CG1-CG2 4.29Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 3.4Å; V262-T266 PolarHBondContact O-OG1 2.88Å; V262-T266 VanDerWaalsContact O-OG1 3.14Å; K263-T266 WeakPolarHBondContact CA-OG1 3.26Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-T266 PolarHBondContact O-OG1 3.4Å; T266-R268 VanDerWaalsContact C-N 3.26Å; T266-R268 PolarHBondContact O-N 3.12Å; T266-L290 HydrophobicContact CG2-CD1 3.92Å; T266-N293 HydrophobicContact CG2-CB 4.22Å; T266-K295 HydrophobicContact CG2-CB 4.36Å
267	D	94.7	Very high	95.7	Very high	105 Å²	105	40.9 Å²	40.9	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-74.8	-18.4	-177.9	-72.3	-2.5	0	0	0	112.1	K263	K263-D267 WeakPolarHBondContact CE-OD2 3.28Å; K263-D267 VanDerWaalsContact CG-OD2 3.22Å; K263-D267 WeakPolarHBondContact CG-OD2 3.47Å; K263-D267 VanDerWaalsContact O-CB 3.24Å; K263-D267 WeakPolarHBondContact O-CB 3.24Å; K263-D267 VanDerWaalsContact O-CG 3.27Å; K263-D267 PolarHBondContact O-N 3.04Å
268	R	93.1	Very high	95.6	Very high	88 Å²	88	39.9 Å²	39.9	33%	0.332	20%	0.198	S	C	.	.			trans	-112.5	71	-173.4	-59.5	176.4	-173.9	-137.2	14.2	111.3	A240 N264 T266 K270 V271	A240-R268 PolarHBondContact O-NH1 3.17Å; N264-R268 WeakPolarHBondContact O-CB 3.42Å; N264-R268 VanDerWaalsContact O-CD 3.31Å; N264-R268 WeakPolarHBondContact O-CD 3.44Å; N264-R268 VanDerWaalsContact O-CG 3.32Å; N264-R268 WeakPolarHBondContact O-CG 3.28Å; T266-R268 VanDerWaalsContact C-N 3.26Å; T266-R268 PolarHBondContact O-N 3.12Å; R268-K270 PolarHBondContact O-N 3.18Å; R268-V271 HydrophobicContact CB-CB 4.47Å; R268-V271 HydrophobicContact CB-CG2 3.92Å; R268-V271 WeakPolarHBondContact O-CB 3.4Å; R268-V271 PolarHBondContact O-N 3.47Å
269	E	87.9	Confident	95.3	Very high	125 Å²	125	40.5 Å²	40.5	58%	0.584	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.6	-174.1	-63.3	178.7	177.6	0	0	114.7	V271 K295	E269-V271 PolarHBondContact O-N 2.99Å; E269-K295 WeakPolarHBondContact OE1-CE 3.39Å; E269-K295 IonicContact OE1-NZ 3.89Å; E269-K295 PolarHBondContact OE1-NZ 3.46Å
270	K	90.6	Very high	95	Very high	126 Å²	126	38.9 Å²	38.9	55%	0.548	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.2	176.6	-65	-174.6	176	178.2	0	114.4	R268 C494	R268-K270 PolarHBondContact O-N 3.18Å; K270-C494 VanDerWaalsContact CD-O 3.23Å; K270-C494 WeakPolarHBondContact CD-O 3.49Å; K270-C494 PolarHBondContact NZ-O 3.42Å
271	V	94.7	Very high	94.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.169	C	C	.	.			trans	-91.6	103.8	174.8	-177.2	0	0	0	0	108.1	A240 Y241 R268 E269 I274 K299	A240-V271 HydrophobicContact CB-CG2 3.47Å; A240-V271 VanDerWaalsContact CB-CG2 3.47Å; Y241-V271 HydrophobicContact CE1-CG1 4.27Å; Y241-V271 HydrophobicContact CE1-CG2 4.44Å; R268-V271 HydrophobicContact CB-CB 4.47Å; R268-V271 HydrophobicContact CB-CG2 3.92Å; R268-V271 WeakPolarHBondContact O-CB 3.4Å; R268-V271 PolarHBondContact O-N 3.47Å; E269-V271 PolarHBondContact O-N 2.99Å; V271-I274 HydrophobicContact CG1-CG1 4.46Å; V271-K299 PolarHBondContact O-NZ 3.49Å
272	S	95.1	Very high	94.3	Very high	29 Å²	29	35.1 Å²	35.1	20%	0.203	17%	0.169	C	C	.	.			trans	-101.2	-20.5	176.4	-55	0	0	0	0	111.8	V300 S491 S492	S272-V300 PolarHBondContact O-N 3.04Å; S272-S491 PolarHBondContact OG-O 2.95Å; S272-S492 PolarHBondContact N-OG 3.07Å
273	V	97.2	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.2	-174.8	-179.5	0	0	0	0	110	L203 W208 V211 G212 V300 L302 V490 S492	L203-V273 HydrophobicContact CD2-CG1 3.9Å; W208-V273 HydrophobicContact CB-CG2 4.48Å; W208-V273 HydrophobicContact CD2-CG1 4.49Å; W208-V273 HydrophobicContact CD2-CG2 3.49Å; W208-V273 VanDerWaalsContact CD2-CG2 3.49Å; W208-V273 HydrophobicContact CE3-CB 4.37Å; W208-V273 HydrophobicContact CE3-CG1 3.87Å; W208-V273 HydrophobicContact CE3-CG2 3.64Å; W208-V273 HydrophobicContact CG-CG2 3.89Å; W208-V273 HydrophobicContact CH2-CG2 4.3Å; W208-V273 HydrophobicContact CZ2-CG2 4.18Å; W208-V273 HydrophobicContact CZ3-CG1 4.18Å; W208-V273 HydrophobicContact CZ3-CG2 4.05Å; V211-V273 WeakPolarHBondContact CA-O 3.26Å; V211-V273 HydrophobicContact CG1-CB 4.01Å; V211-V273 HydrophobicContact CG1-CG1 4.05Å; G212-V273 PolarHBondContact N-O 3.42Å; V273-V300 CarbonylContact C-O 3.6Å; V273-V300 VanDerWaalsContact CA-O 3.31Å; V273-V300 WeakPolarHBondContact CA-O 3.18Å; V273-V300 HydrophobicContact CG2-CB 4.09Å; V273-L302 HydrophobicContact CG1-CD1 4.41Å; V273-L302 HydrophobicContact CG1-CG 4.28Å; V273-V490 HydrophobicContact CG2-CG1 4.22Å; V273-S492 PolarHBondContact N-OG 3.32Å
274	I	98.3	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.2	178.4	-56.9	93.7	0	0	0	109.4	G212 V214 V271 K299 V300 W301 L302	G212-I274 CarbonylContact O-C 3.59Å; G212-I274 WeakPolarHBondContact O-CA 3.32Å; V214-I274 HydrophobicContact CG2-CG2 4.07Å; V271-I274 HydrophobicContact CG1-CG1 4.46Å; I274-K299 HydrophobicContact CD1-CB 3.7Å; I274-K299 HydrophobicContact CD1-CD 4.19Å; I274-K299 HydrophobicContact CD1-CG 3.93Å; I274-V300 PolarHBondContact N-O 2.83Å; I274-W301 HydrophobicContact CB-CD2 4.27Å; I274-W301 HydrophobicContact CB-CE3 3.81Å; I274-W301 HydrophobicContact CB-CH2 4.27Å; I274-W301 HydrophobicContact CB-CZ3 3.82Å; I274-W301 HydrophobicContact CD1-CH2 4.48Å; I274-W301 HydrophobicContact CD1-CZ2 4.2Å; I274-W301 HydrophobicContact CG1-CH2 4.4Å; I274-W301 HydrophobicContact CG1-CZ3 4.44Å; I274-W301 HydrophobicContact CG2-CE3 3.81Å; I274-W301 HydrophobicContact CG2-CH2 4.1Å; I274-W301 HydrophobicContact CG2-CZ3 3.45Å; I274-W301 VanDerWaalsContact CG2-CZ3 3.45Å; I274-W301 CarbonylContact O-C 3.58Å; I274-W301 WeakPolarHBondContact O-CA 3.34Å; I274-L302 PolarHBondContact O-N 3.19Å
275	V	98.5	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.3	171.6	-172.6	0	0	0	0	108.9	I199 L203 V211 G212 V213 V214 L228 F277 L302	I199-V275 HydrophobicContact CD1-CG1 4.01Å; I199-V275 HydrophobicContact CG2-CG1 3.91Å; I199-V275 HydrophobicContact CG2-CG2 4.07Å; L203-V275 HydrophobicContact CD1-CG2 4.38Å; V211-V275 HydrophobicContact CG2-CG2 4.48Å; G212-V275 PolarHBondContact O-N 3.23Å; V213-V275 WeakPolarHBondContact CA-O 3.19Å; V214-V275 PolarHBondContact N-O 3.12Å; L228-V275 HydrophobicContact CD2-CB 4.29Å; L228-V275 HydrophobicContact CD2-CG1 4.04Å; L228-V275 HydrophobicContact CD2-CG2 4.42Å; V275-F277 HydrophobicContact CG1-CD2 4.41Å; V275-F277 HydrophobicContact CG1-CE2 3.8Å; V275-F277 HydrophobicContact CG1-CZ 4.12Å; V275-L302 HydrophobicContact CG1-CB 4.41Å; V275-L302 HydrophobicContact CG2-CB 4.25Å; V275-L302 HydrophobicContact CG2-CD1 4.21Å
276	S	98.1	Very high	93.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.8	-177.8	179.7	0	0	0	0	114	V214 A278 M283 L302 S304 W307	V214-S276 CarbonylContact O-C 3.5Å; V214-S276 VanDerWaalsContact O-CA 3.28Å; V214-S276 WeakPolarHBondContact O-CA 3.45Å; S276-A278 WeakPolarHBondContact OG-CB 3.47Å; S276-A278 PolarHBondContact OG-N 2.89Å; S276-M283 PolarHBondContact OG-SD 3.25Å; S276-L302 PolarHBondContact N-O 3.09Å; S276-S304 WeakPolarHBondContact O-CB 3.49Å; S276-S304 PolarHBondContact O-N 3.14Å; S276-S304 PolarHBondContact O-OG 2.93Å; S276-W307 PolarHBondContact O-NE1 3.41Å; S276-W307 PolarHBondContact OG-NE1 3.17Å
277	F	97.6	Very high	93.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	24.2	166.5	-56.5	-81.1	0	0	0	111.9	I199 V214 A215 Y220 A224 V225 L228 V275 S304	I199-F277 HydrophobicContact CD1-CE1 3.68Å; I199-F277 HydrophobicContact CD1-CZ 3.49Å; I199-F277 VanDerWaalsContact CD1-CZ 3.49Å; V214-F277 PolarHBondContact O-N 3.44Å; A215-F277 HydrophobicContact CB-CB 4.02Å; Y220-F277 HydrophobicContact CE1-CB 4.11Å; Y220-F277 WeakPolarHBondContact CE1-O 3.45Å; A224-F277 HydrophobicContact CB-CB 4.45Å; A224-F277 HydrophobicContact CB-CD1 3.56Å; A224-F277 HydrophobicContact CB-CD2 4.21Å; A224-F277 HydrophobicContact CB-CE1 3.72Å; A224-F277 HydrophobicContact CB-CE2 4.31Å; A224-F277 HydrophobicContact CB-CG 3.83Å; A224-F277 HydrophobicContact CB-CZ 4.08Å; V225-F277 HydrophobicContact CG2-CD2 3.95Å; V225-F277 HydrophobicContact CG2-CE2 4.41Å; L228-F277 HydrophobicContact CB-CE2 4.28Å; L228-F277 HydrophobicContact CB-CZ 4.42Å; L228-F277 HydrophobicContact CD1-CZ 4.49Å; L228-F277 HydrophobicContact CD2-CE2 4Å; V275-F277 HydrophobicContact CG1-CD2 4.41Å; V275-F277 HydrophobicContact CG1-CE2 3.8Å; V275-F277 HydrophobicContact CG1-CZ 4.12Å; F277-S304 WeakPolarHBondContact CA-OG 3.06Å
278	A	95.1	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.			trans	-79.8	165.1	-179.6	0	0	0	0	0	112.5	V214 T216 L245 S276 H282 M283 N306	V214-A278 HydrophobicContact CG1-CB 4.43Å; T216-A278 WeakPolarHBondContact OG1-CA 3.44Å; L245-A278 HydrophobicContact CD1-CB 4.29Å; S276-A278 WeakPolarHBondContact OG-CB 3.47Å; S276-A278 PolarHBondContact OG-N 2.89Å; A278-H282 HydrophobicContact CB-CB 4.05Å; A278-M283 HydrophobicContact CB-CG 4.06Å; A278-M283 HydrophobicContact CB-SD 3.89Å; A278-N306 PolarHBondContact O-ND2 2.91Å
279	K	90.6	Very high	93.9	Very high	18 Å²	18	29 Å²	29	8%	0.078	15%	0.147	C	C	.	.			trans	-73.9	155.9	170.3	-71.6	178.4	-178.4	174.7	0	111	T216 E247 D281 H282 M283	T216-K279 HydrophobicContact CG2-CD 4.38Å; T216-K279 HydrophobicContact CG2-CG 4.48Å; T216-K279 PolarHBondContact OG1-N 3.32Å; T216-K279 VanDerWaalsContact OG1-N 3.09Å; E247-K279 VanDerWaalsContact CD-NZ 3.32Å; E247-K279 PolarHBondContact O-NZ 3Å; E247-K279 WeakPolarHBondContact OE1-CE 3.35Å; E247-K279 IonicContact OE1-NZ 2.76Å; E247-K279 PolarHBondContact OE1-NZ 3.29Å; E247-K279 IonicContact OE2-NZ 3.64Å; K279-D281 VanDerWaalsContact C-N 3.35Å; K279-D281 PolarHBondContact O-N 3.05Å; K279-H282 WeakPolarHBondContact O-CB 3.3Å; K279-H282 PolarHBondContact O-N 2.98Å; K279-H282 VanDerWaalsContact O-N 3.14Å; K279-M283 PolarHBondContact O-N 3.21Å; K279-M283 VanDerWaalsContact O-N 3.08Å
280	P	89.3	Confident	94.3	Very high	23 Å²	23	23 Å²	23	15%	0.149	12%	0.119	C	C	.	.	H	α-helix	trans	-51.3	-46.3	176.8	-30.6	37.4	0	0	0	114.5	H282 M283 K284 N306 W307 A310	P280-H282 VanDerWaalsContact C-N 3.35Å; P280-H282 PolarHBondContact O-N 3.24Å; P280-M283 WeakPolarHBondContact O-CB 3.48Å; P280-M283 PolarHBondContact O-N 3.16Å; P280-M283 VanDerWaalsContact O-N 3.16Å; P280-K284 PolarHBondContact O-N 3.44Å; P280-N306 WeakPolarHBondContact CG-O 3.16Å; P280-W307 HydrophobicContact CG-CB 3.99Å; P280-A310 HydrophobicContact CB-CB 3.86Å; P280-A310 HydrophobicContact CG-CB 3.67Å
281	D	87	Confident	94.5	Very high	39 Å²	39	17.1 Å²	17.1	21%	0.209	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-38.6	178.5	-71.3	-74.8	0	0	0	113.5	R69 L249 K279 M283 K284 S285	R69-D281 IonicContact NH1-OD1 3.65Å; R69-D281 PolarHBondContact NH1-OD1 3.33Å; L249-D281 HydrophobicContact CD1-CB 3.53Å; L249-D281 VanDerWaalsContact CD1-CG 3.48Å; L249-D281 WeakPolarHBondContact CD1-OD2 3.36Å; L249-D281 HydrophobicContact CD2-CB 3.6Å; L249-D281 HydrophobicContact CG-CB 4.23Å; K279-D281 VanDerWaalsContact C-N 3.35Å; K279-D281 PolarHBondContact O-N 3.05Å; D281-M283 VanDerWaalsContact C-N 3.33Å; D281-K284 WeakPolarHBondContact O-CB 3.4Å; D281-K284 PolarHBondContact O-N 2.91Å; D281-S285 PolarHBondContact O-N 2.95Å; D281-S285 PolarHBondContact O-OG 2.9Å
282	H	92	Very high	94.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-43.7	174.6	-72.3	158.2	0	0	0	111.1	T216 L245 P246 L249 A278 K279 P280 K284 S285 I286	T216-H282 PolarHBondContact OG1-ND1 2.89Å; L245-H282 HydrophobicContact CD1-CB 3.58Å; P246-H282 PolarHBondContact O-CE1 3.46Å; P246-H282 PolarHBondContact O-NE2 2.73Å; L249-H282 WeakPolarHBondContact CD2-CD2 3.31Å; L249-H282 VanDerWaalsContact CD2-NE2 3.32Å; L249-H282 WeakPolarHBondContact CD2-NE2 3.35Å; A278-H282 HydrophobicContact CB-CB 4.05Å; K279-H282 WeakPolarHBondContact O-CB 3.3Å; K279-H282 PolarHBondContact O-N 2.98Å; K279-H282 VanDerWaalsContact O-N 3.14Å; P280-H282 VanDerWaalsContact C-N 3.35Å; P280-H282 PolarHBondContact O-N 3.24Å; H282-K284 VanDerWaalsContact C-N 3.33Å; H282-K284 PolarHBondContact O-N 3.38Å; H282-S285 PolarHBondContact O-N 3.27Å; H282-I286 WeakPolarHBondContact O-CG1 3.49Å; H282-I286 PolarHBondContact O-N 3.38Å
283	M	94.9	Very high	94.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-39.8	176.6	-70.7	-53.7	-52.1	0	0	112	S276 A278 K279 P280 D281 I286 F287 W301 W307	S276-M283 PolarHBondContact OG-SD 3.25Å; A278-M283 HydrophobicContact CB-CG 4.06Å; A278-M283 HydrophobicContact CB-SD 3.89Å; K279-M283 PolarHBondContact O-N 3.21Å; K279-M283 VanDerWaalsContact O-N 3.08Å; P280-M283 WeakPolarHBondContact O-CB 3.48Å; P280-M283 PolarHBondContact O-N 3.16Å; P280-M283 VanDerWaalsContact O-N 3.16Å; D281-M283 VanDerWaalsContact C-N 3.33Å; M283-I286 PolarHBondContact O-N 3.29Å; M283-I286 HydrophobicContact SD-CD1 4.3Å; M283-F287 HydrophobicContact CE-CD1 4.47Å; M283-F287 HydrophobicContact CE-CE1 3.76Å; M283-F287 HydrophobicContact CE-CE2 3.95Å; M283-F287 HydrophobicContact CE-CZ 3.46Å; M283-F287 VanDerWaalsContact CE-CZ 3.46Å; M283-F287 WeakPolarHBondContact O-CG 3.34Å; M283-F287 PolarHBondContact O-N 2.86Å; M283-W301 HydrophobicContact CE-CD2 4.49Å; M283-W301 HydrophobicContact CE-CE3 3.75Å; M283-W301 HydrophobicContact CE-CH2 4.25Å; M283-W301 HydrophobicContact CE-CZ3 3.61Å; M283-W307 HydrophobicContact CB-CD2 4.46Å; M283-W307 HydrophobicContact CB-CE3 4.43Å; M283-W307 HydrophobicContact CE-CH2 3.87Å; M283-W307 HydrophobicContact CE-CZ2 3.82Å; M283-W307 HydrophobicContact CE-CZ3 4.36Å; M283-W307 HydrophobicContact CG-CD2 3.76Å; M283-W307 HydrophobicContact CG-CE3 4.17Å; M283-W307 HydrophobicContact CG-CG 3.95Å; M283-W307 HydrophobicContact CG-CZ2 4.36Å; M283-W307 HydrophobicContact SD-CZ2 4.27Å
284	K	92.5	Very high	94	Very high	79 Å²	79	31.5 Å²	31.5	34%	0.343	16%	0.164	S	C	.	.	H	α-helix	trans	-58.6	-48.2	173.4	-169.1	-176.8	-172.4	164.7	0	112.3	P280 D281 H282 I286 F287 N288 D312 C313	P280-K284 PolarHBondContact O-N 3.44Å; D281-K284 WeakPolarHBondContact O-CB 3.4Å; D281-K284 PolarHBondContact O-N 2.91Å; H282-K284 VanDerWaalsContact C-N 3.33Å; H282-K284 PolarHBondContact O-N 3.38Å; K284-I286 VanDerWaalsContact C-N 3.35Å; K284-I286 PolarHBondContact O-N 2.97Å; K284-F287 PolarHBondContact O-N 2.03Å; K284-N288 WeakPolarHBondContact O-CB 3.35Å; K284-N288 PolarHBondContact O-N 2.68Å; K284-D312 WeakPolarHBondContact CD-O 3.13Å; K284-C313 WeakPolarHBondContact CA-O 3.37Å
285	S	92.8	Very high	93.6	Very high	41 Å²	41	36.5 Å²	36.5	29%	0.287	19%	0.185	S	C	.	.	H	α-helix	trans	-61.9	-41.3	175.1	-69.2	0	0	0	0	112.2	D281 H282 N289	D281-S285 PolarHBondContact O-N 2.95Å; D281-S285 PolarHBondContact O-OG 2.9Å; H282-S285 PolarHBondContact O-N 3.27Å; S285-N289 PolarHBondContact O-N 2.97Å; S285-N289 PolarHBondContact O-ND2 3.44Å
286	I	96.1	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-53.6	176	-72.6	172.7	0	0	0	110.5	V214 L245 I258 T261 I265 H282 M283 K284 N288 N289 L290 W301	V214-I286 HydrophobicContact CG1-CD1 3.79Å; L245-I286 HydrophobicContact CD1-CD1 3.82Å; I258-I286 HydrophobicContact CD1-CD1 4.32Å; I258-I286 HydrophobicContact CD1-CG1 3.6Å; T261-I286 HydrophobicContact CG2-CD1 3.95Å; T261-I286 HydrophobicContact CG2-CG1 4.48Å; I265-I286 HydrophobicContact CD1-CG2 4.4Å; H282-I286 WeakPolarHBondContact O-CG1 3.49Å; H282-I286 PolarHBondContact O-N 3.38Å; M283-I286 PolarHBondContact O-N 3.29Å; M283-I286 HydrophobicContact SD-CD1 4.3Å; K284-I286 VanDerWaalsContact C-N 3.35Å; K284-I286 PolarHBondContact O-N 2.97Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.1Å; I286-N289 PolarHBondContact O-N 2.99Å; I286-L290 HydrophobicContact CG2-CB 4.32Å; I286-L290 HydrophobicContact CG2-CD2 4.23Å; I286-L290 WeakPolarHBondContact O-CA 3.44Å; I286-L290 WeakPolarHBondContact O-CB 3.24Å; I286-L290 PolarHBondContact O-N 3.33Å; I286-W301 HydrophobicContact CG2-CH2 4.08Å
287	F	95.8	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-42.3	-177.5	-69.6	-32.6	0	0	0	112.1	M283 K284 N289 L290 L291 W301 W307 C313 L314 V324	M283-F287 HydrophobicContact CE-CD1 4.47Å; M283-F287 HydrophobicContact CE-CE1 3.76Å; M283-F287 HydrophobicContact CE-CE2 3.95Å; M283-F287 HydrophobicContact CE-CZ 3.46Å; M283-F287 VanDerWaalsContact CE-CZ 3.46Å; M283-F287 WeakPolarHBondContact O-CG 3.34Å; M283-F287 PolarHBondContact O-N 2.86Å; K284-F287 PolarHBondContact O-N 2.03Å; F287-N289 VanDerWaalsContact C-N 3.3Å; F287-N289 PolarHBondContact O-N 3.32Å; F287-L290 PolarHBondContact O-N 3.16Å; F287-L291 HydrophobicContact CB-CD1 4.04Å; F287-L291 HydrophobicContact CB-CG 4.47Å; F287-L291 VanDerWaalsContact O-CB 3.29Å; F287-L291 WeakPolarHBondContact O-CB 3.39Å; F287-L291 WeakPolarHBondContact O-CG 3.45Å; F287-L291 PolarHBondContact O-N 3.03Å; F287-W301 HydrophobicContact CD1-CZ2 4.33Å; F287-W301 AromaticContact CE1-CD2 3.93Å; F287-W301 HydrophobicContact CE1-CD2 3.93Å; F287-W301 AromaticContact CE1-CE2 3.53Å; F287-W301 HydrophobicContact CE1-CE3 4.4Å; F287-W301 HydrophobicContact CE1-CG 4.42Å; F287-W301 HydrophobicContact CE1-CH2 4.16Å; F287-W301 AromaticContact CE1-CZ2 3.68Å; F287-W301 HydrophobicContact CE1-CZ2 3.68Å; F287-W301 HydrophobicContact CE1-CZ3 4.5Å; F287-W301 AromaticContact CE1-NE1 3.77Å; F287-W301 HydrophobicContact CZ-CD2 4.22Å; F287-W301 HydrophobicContact CZ-CG 4.43Å; F287-W307 HydrophobicContact CE2-CH2 4.44Å; F287-W307 HydrophobicContact CE2-CZ3 4.08Å; F287-W307 HydrophobicContact CZ-CH2 4Å; F287-W307 HydrophobicContact CZ-CZ3 4.11Å; F287-C313 WeakPolarHBondContact CD2-O 3.48Å; F287-L314 HydrophobicContact CB-CD1 4.24Å; F287-L314 HydrophobicContact CD2-CD1 4.25Å; F287-L314 HydrophobicContact CG-CD1 4.46Å; F287-V324 HydrophobicContact CE1-CG1 3.93Å; F287-V324 HydrophobicContact CZ-CG1 3.99Å
288	N	93.9	Very high	92.8	Very high	46 Å²	46	44 Å²	44	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-38.3	178.1	-76.6	-13.2	0	0	0	113.2	K284 I286 W319	K284-N288 WeakPolarHBondContact O-CB 3.35Å; K284-N288 PolarHBondContact O-N 2.68Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.1Å; N288-W319 PolarHBondContact OD1-NE1 3.35Å
289	N	94.4	Very high	92.7	Very high	82 Å²	82	44.8 Å²	44.8	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-86.2	-30.1	178.8	-71.6	-92.4	0	0	0	112.8	I258 V262 S285 I286 F287	I258-N289 HydrophobicContact CG2-CB 4.38Å; V262-N289 HydrophobicContact CG2-CB 3.87Å; S285-N289 PolarHBondContact O-N 2.97Å; S285-N289 PolarHBondContact O-ND2 3.44Å; I286-N289 PolarHBondContact O-N 2.99Å; F287-N289 VanDerWaalsContact C-N 3.3Å; F287-N289 PolarHBondContact O-N 3.32Å
290	L	95.6	Very high	92.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-77.3	-42	-175.1	-179	65.3	0	0	0	112.1	V262 I265 T266 I286 F287 E292 N293 W301	V262-L290 HydrophobicContact CG1-CD1 4.03Å; V262-L290 HydrophobicContact CG2-CB 4.18Å; I265-L290 HydrophobicContact CB-CD1 3.93Å; I265-L290 HydrophobicContact CD1-CD1 4.18Å; I265-L290 HydrophobicContact CD1-CD2 3.98Å; I265-L290 HydrophobicContact CG2-CD1 3.69Å; I265-L290 HydrophobicContact CG2-CD2 4.18Å; T266-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CB 4.32Å; I286-L290 HydrophobicContact CG2-CD2 4.23Å; I286-L290 WeakPolarHBondContact O-CA 3.44Å; I286-L290 WeakPolarHBondContact O-CB 3.24Å; I286-L290 PolarHBondContact O-N 3.33Å; F287-L290 PolarHBondContact O-N 3.16Å; L290-E292 PolarHBondContact O-N 3.31Å; L290-N293 PolarHBondContact O-N 3.03Å; L290-N293 VanDerWaalsContact O-N 3.13Å; L290-W301 HydrophobicContact CD2-CH2 4.07Å; L290-W301 HydrophobicContact CD2-CZ2 3.56Å
291	L	95	Very high	93.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-12	-173.2	-61.3	175.3	0	0	0	113	F287 N293 K297 L314 W319 D323 V324	F287-L291 HydrophobicContact CB-CD1 4.04Å; F287-L291 HydrophobicContact CB-CG 4.47Å; F287-L291 VanDerWaalsContact O-CB 3.29Å; F287-L291 WeakPolarHBondContact O-CB 3.39Å; F287-L291 WeakPolarHBondContact O-CG 3.45Å; F287-L291 PolarHBondContact O-N 3.03Å; L291-N293 PolarHBondContact O-N 3.37Å; L291-K297 HydrophobicContact CD2-CG 4.11Å; L291-K297 WeakPolarHBondContact O-CE 3.44Å; L291-L314 HydrophobicContact CD1-CD1 3.96Å; L291-W319 HydrophobicContact CB-CD2 3.71Å; L291-W319 HydrophobicContact CB-CE3 3.73Å; L291-W319 HydrophobicContact CB-CG 4.33Å; L291-W319 HydrophobicContact CB-CH2 4.11Å; L291-W319 HydrophobicContact CB-CZ2 4.07Å; L291-W319 HydrophobicContact CB-CZ3 3.94Å; L291-W319 HydrophobicContact CD1-CB 3.8Å; L291-W319 HydrophobicContact CD1-CD2 3.91Å; L291-W319 HydrophobicContact CD1-CE3 4.39Å; L291-W319 HydrophobicContact CD1-CG 3.63Å; L291-W319 HydrophobicContact CG-CD2 4.49Å; L291-W319 WeakPolarHBondContact O-CH2 3.33Å; L291-W319 WeakPolarHBondContact O-CZ3 3.44Å; L291-D323 HydrophobicContact CD1-CB 4.47Å; L291-D323 HydrophobicContact CD2-CB 4.3Å; L291-D323 WeakPolarHBondContact CD2-O 3.25Å; L291-V324 HydrophobicContact CD1-CG2 3.8Å; L291-V324 HydrophobicContact CD2-CG2 4.36Å
292	E	93.1	Very high	93.7	Very high	144 Å²	144	41.3 Å²	41.3	67%	0.673	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.5	166.9	-68	-176.1	178.3	0	0	112.3	L290 W319	L290-E292 PolarHBondContact O-N 3.31Å; E292-W319 HydrophobicContact CG-CH2 3.96Å; E292-W319 HydrophobicContact CG-CZ2 3.84Å
293	N	91.9	Very high	93.9	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.353	20%	0.204	S	C	.	.	S	Bend	trans	-104.7	123.5	178.2	-171.2	-28.7	0	0	0	110.6	T266 L290 L291 K295 G296	T266-N293 HydrophobicContact CG2-CB 4.22Å; L290-N293 PolarHBondContact O-N 3.03Å; L290-N293 VanDerWaalsContact O-N 3.13Å; L291-N293 PolarHBondContact O-N 3.37Å; N293-K295 PolarHBondContact O-N 3.45Å; N293-K295 VanDerWaalsContact O-N 3.08Å; N293-K295 WeakPolarHBondContact OD1-CB 3.49Å; N293-K295 PolarHBondContact OD1-N 3.1Å; N293-G296 WeakPolarHBondContact O-CA 3.43Å; N293-G296 PolarHBondContact O-N 2.96Å
294	D	90.9	Very high	94	Very high	122 Å²	122	41.3 Å²	41.3	65%	0.652	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-58.3	-26.3	180	-70	-31	0	0	0	113.5	G296 K297	D294-G296 PolarHBondContact O-N 3.37Å; D294-K297 PolarHBondContact O-N 3.31Å; D294-K297 WeakPolarHBondContact OD1-CE 3.49Å; D294-K297 IonicContact OD1-NZ 3.8Å; D294-K297 PolarHBondContact OD1-NZ 3.37Å
295	K	91.1	Very high	94.1	Very high	106 Å²	106	37.9 Å²	37.9	46%	0.461	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.7	-21.8	174.3	-62.7	-167.7	-178.3	-163.1	0	113.6	T266 E269 N293 K299	T266-K295 HydrophobicContact CG2-CB 4.36Å; E269-K295 WeakPolarHBondContact OE1-CE 3.39Å; E269-K295 IonicContact OE1-NZ 3.89Å; E269-K295 PolarHBondContact OE1-NZ 3.46Å; N293-K295 PolarHBondContact O-N 3.45Å; N293-K295 VanDerWaalsContact O-N 3.08Å; N293-K295 WeakPolarHBondContact OD1-CB 3.49Å; N293-K295 PolarHBondContact OD1-N 3.1Å; K295-K299 WeakPolarHBondContact O-CE 3.29Å; K295-K299 PolarHBondContact O-NZ 3.28Å
296	G	90.1	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-85.7	-12.3	178.2	0	0	0	0	0	114	N293 D294 K299	N293-G296 WeakPolarHBondContact O-CA 3.43Å; N293-G296 PolarHBondContact O-N 2.96Å; D294-G296 PolarHBondContact O-N 3.37Å; G296-K299 WeakPolarHBondContact O-CG 3.41Å
297	K	93.9	Very high	93.9	Very high	42 Å²	42	36.6 Å²	36.6	18%	0.183	18%	0.179	C	C	.	.	S	Bend	trans	-80.9	165.2	-179	-64.5	-177.8	-175.8	165.5	0	112.8	L291 D294 K299 D323	L291-K297 HydrophobicContact CD2-CG 4.11Å; L291-K297 WeakPolarHBondContact O-CE 3.44Å; D294-K297 PolarHBondContact O-N 3.31Å; D294-K297 WeakPolarHBondContact OD1-CE 3.49Å; D294-K297 IonicContact OD1-NZ 3.8Å; D294-K297 PolarHBondContact OD1-NZ 3.37Å; K297-K299 VanDerWaalsContact C-N 3.26Å; K297-K299 PolarHBondContact O-N 3.14Å; K297-D323 CarbonylContact C-O 3.53Å; K297-D323 WeakPolarHBondContact CA-O 3.47Å; K297-D323 VanDerWaalsContact CB-O 3.23Å; K297-D323 WeakPolarHBondContact CB-O 3.43Å; K297-D323 HydrophobicContact CD-CB 4.5Å
298	H	92.4	Very high	93.7	Very high	116 Å²	116	36.6 Å²	36.6	54%	0.537	18%	0.179	S	C	.	.	S	Bend	trans	55.5	36.1	172.7	-51	-55.2	0	0	0	114.3	N322 D323 V324	H298-N322 PolarHBondContact CE1-O 3.35Å; H298-N322 PolarHBondContact ND1-O 3.32Å; H298-D323 PolarHBondContact N-O 3.49Å; H298-V324 PolarHBondContact N-O 3.43Å
299	K	94	Very high	93.5	Very high	16 Å²	16	34.9 Å²	34.9	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	163	176.3	-60.8	-63.2	-177.3	177.7	0	110.8	V271 I274 K295 G296 K297 V324 G325 T326	V271-K299 PolarHBondContact O-NZ 3.49Å; I274-K299 HydrophobicContact CD1-CB 3.7Å; I274-K299 HydrophobicContact CD1-CD 4.19Å; I274-K299 HydrophobicContact CD1-CG 3.93Å; K295-K299 WeakPolarHBondContact O-CE 3.29Å; K295-K299 PolarHBondContact O-NZ 3.28Å; G296-K299 WeakPolarHBondContact O-CG 3.41Å; K297-K299 VanDerWaalsContact C-N 3.26Å; K297-K299 PolarHBondContact O-N 3.14Å; K299-V324 PolarHBondContact N-O 2.98Å; K299-V324 VanDerWaalsContact O-O 3.09Å; K299-G325 WeakPolarHBondContact O-CA 3.44Å; K299-T326 PolarHBondContact O-N 3.1Å
300	V	95.3	Very high	93.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124	169.8	-179.5	0	0	0	0	109	W208 S272 V273 I274 T326 I487 V490	W208-V300 HydrophobicContact CH2-CG1 3.92Å; W208-V300 HydrophobicContact CZ3-CG1 4.23Å; S272-V300 PolarHBondContact O-N 3.04Å; V273-V300 CarbonylContact C-O 3.6Å; V273-V300 VanDerWaalsContact CA-O 3.31Å; V273-V300 WeakPolarHBondContact CA-O 3.18Å; V273-V300 HydrophobicContact CG2-CB 4.09Å; I274-V300 PolarHBondContact N-O 2.83Å; V300-T326 CarbonylContact C-O 3.59Å; V300-T326 WeakPolarHBondContact CA-O 3.45Å; V300-I487 HydrophobicContact CG2-CG2 4.44Å; V300-V490 HydrophobicContact CG2-CB 4.4Å; V300-V490 HydrophobicContact CG2-CG1 3.87Å; V300-V490 HydrophobicContact CG2-CG2 3.91Å
301	W	96.1	Very high	91.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120	179.6	-65	86.1	0	0	0	110.1	I265 I274 M283 I286 F287 L290 W307 T326 V327 F328	I265-W301 HydrophobicContact CD1-CH2 3.96Å; I274-W301 HydrophobicContact CB-CD2 4.27Å; I274-W301 HydrophobicContact CB-CE3 3.81Å; I274-W301 HydrophobicContact CB-CH2 4.27Å; I274-W301 HydrophobicContact CB-CZ3 3.82Å; I274-W301 HydrophobicContact CD1-CH2 4.48Å; I274-W301 HydrophobicContact CD1-CZ2 4.2Å; I274-W301 HydrophobicContact CG1-CH2 4.4Å; I274-W301 HydrophobicContact CG1-CZ3 4.44Å; I274-W301 HydrophobicContact CG2-CE3 3.81Å; I274-W301 HydrophobicContact CG2-CH2 4.1Å; I274-W301 HydrophobicContact CG2-CZ3 3.45Å; I274-W301 VanDerWaalsContact CG2-CZ3 3.45Å; I274-W301 CarbonylContact O-C 3.58Å; I274-W301 WeakPolarHBondContact O-CA 3.34Å; M283-W301 HydrophobicContact CE-CD2 4.49Å; M283-W301 HydrophobicContact CE-CE3 3.75Å; M283-W301 HydrophobicContact CE-CH2 4.25Å; M283-W301 HydrophobicContact CE-CZ3 3.61Å; I286-W301 HydrophobicContact CG2-CH2 4.08Å; F287-W301 HydrophobicContact CD1-CZ2 4.33Å; F287-W301 AromaticContact CE1-CD2 3.93Å; F287-W301 HydrophobicContact CE1-CD2 3.93Å; F287-W301 AromaticContact CE1-CE2 3.53Å; F287-W301 HydrophobicContact CE1-CE3 4.4Å; F287-W301 HydrophobicContact CE1-CG 4.42Å; F287-W301 HydrophobicContact CE1-CH2 4.16Å; F287-W301 AromaticContact CE1-CZ2 3.68Å; F287-W301 HydrophobicContact CE1-CZ2 3.68Å; F287-W301 HydrophobicContact CE1-CZ3 4.5Å; F287-W301 AromaticContact CE1-NE1 3.77Å; F287-W301 HydrophobicContact CZ-CD2 4.22Å; F287-W301 HydrophobicContact CZ-CG 4.43Å; L290-W301 HydrophobicContact CD2-CH2 4.07Å; L290-W301 HydrophobicContact CD2-CZ2 3.56Å; W301-W307 HydrophobicContact CB-CH2 4.08Å; W301-W307 HydrophobicContact CB-CZ2 4.44Å; W301-T326 PolarHBondContact N-O 2.75Å; W301-V327 HydrophobicContact CB-CG1 4.4Å; W301-V327 HydrophobicContact CB-CG2 4.22Å; W301-F328 PolarHBondContact O-N 3.3Å
302	L	96.8	Very high	91.1	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	99.3	166.6	-60.2	-169.6	0	0	0	108.2	I199 I202 L203 V273 I274 V275 S276 F328	I199-L302 HydrophobicContact CG2-CD1 3.87Å; I202-L302 HydrophobicContact CG2-CD1 4.28Å; I202-L302 HydrophobicContact CG2-CD2 4.25Å; L203-L302 HydrophobicContact CD2-CD1 3.48Å; L203-L302 VanDerWaalsContact CD2-CD1 3.48Å; L203-L302 HydrophobicContact CG-CD1 3.98Å; V273-L302 HydrophobicContact CG1-CD1 4.41Å; V273-L302 HydrophobicContact CG1-CG 4.28Å; I274-L302 PolarHBondContact O-N 3.19Å; V275-L302 HydrophobicContact CG1-CB 4.41Å; V275-L302 HydrophobicContact CG2-CB 4.25Å; V275-L302 HydrophobicContact CG2-CD1 4.21Å; S276-L302 PolarHBondContact N-O 3.09Å; L302-F328 CarbonylContact C-O 3.51Å; L302-F328 VanDerWaalsContact CA-O 3.32Å; L302-F328 WeakPolarHBondContact CA-O 3.12Å; L302-F328 HydrophobicContact CD2-CB 3.79Å; L302-F328 HydrophobicContact CD2-CD1 4.01Å; L302-F328 HydrophobicContact CD2-CG 4.14Å
303	A	96.6	Very high	90.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.4	-177.2	0	0	0	0	0	111	W307 V327 F328 G329 I330	A303-W307 HydrophobicContact CB-CD2 3.82Å; A303-W307 HydrophobicContact CB-CE3 4.15Å; A303-W307 HydrophobicContact CB-CH2 3.64Å; A303-W307 HydrophobicContact CB-CZ2 3.26Å; A303-W307 HydrophobicContact CB-CZ3 4.07Å; A303-V327 HydrophobicContact CB-CG1 4.05Å; A303-F328 PolarHBondContact N-O 3Å; A303-G329 WeakPolarHBondContact O-CA 3.48Å; A303-I330 PolarHBondContact O-N 2.88Å
304	S	96.6	Very high	90.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.			trans	-71	172.4	168.8	61.2	0	0	0	0	112.2	Y220 S276 F277 N306 W307 S308 I330	Y220-S304 WeakPolarHBondContact OH-CB 3.04Å; Y220-S304 PolarHBondContact OH-OG 3.38Å; Y220-S304 VanDerWaalsContact OH-OG 3.1Å; S276-S304 WeakPolarHBondContact O-CB 3.49Å; S276-S304 PolarHBondContact O-N 3.14Å; S276-S304 PolarHBondContact O-OG 2.93Å; F277-S304 WeakPolarHBondContact CA-OG 3.06Å; S304-N306 PolarHBondContact O-N 2.77Å; S304-W307 PolarHBondContact O-N 3.44Å; S304-S308 WeakPolarHBondContact O-CB 3.25Å; S304-S308 PolarHBondContact O-N 3.41Å; S304-S308 PolarHBondContact O-OG 3.26Å; S304-I330 CarbonylContact C-O 3.58Å
305	D	93.9	Very high	90.3	Very high	7 Å²	7	24 Å²	24	4%	0.037	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.7	177.3	53.6	-6.3	0	0	0	112.6	Q195 Y220 W307 I330 L332	Q195-D305 PolarHBondContact NE2-OD1 3.37Å; Y220-D305 PolarHBondContact OH-OD1 3.44Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 2.85Å; D305-I330 WeakPolarHBondContact CA-O 3.27Å; D305-I330 PolarHBondContact N-O 2.98Å; D305-L332 HydrophobicContact CB-CG 3.97Å
306	N	91.1	Very high	89.8	Confident	12 Å²	12	21.4 Å²	21.4	6%	0.064	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.5	-179.3	-160.7	31.3	0	0	0	114.9	Y147 Y220 A278 P280 S304	Y147-N306 WeakPolarHBondContact CE1-OD1 3.42Å; Y147-N306 PolarHBondContact OH-OD1 2.68Å; Y220-N306 HydrophobicContact CE1-CB 3.94Å; A278-N306 PolarHBondContact O-ND2 2.91Å; P280-N306 WeakPolarHBondContact CG-O 3.16Å; S304-N306 PolarHBondContact O-N 2.77Å
307	W	92.8	Very high	89.6	Confident	1 Å²	1	31 Å²	31	0%	0.004	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.8	-5.5	-178.7	74.1	-86.5	0	0	0	115.1	S276 P280 M283 F287 W301 A303 S304 D305 Q309 A310 C313 V327 W454	S276-W307 PolarHBondContact O-NE1 3.41Å; S276-W307 PolarHBondContact OG-NE1 3.17Å; P280-W307 HydrophobicContact CG-CB 3.99Å; M283-W307 HydrophobicContact CB-CD2 4.46Å; M283-W307 HydrophobicContact CB-CE3 4.43Å; M283-W307 HydrophobicContact CE-CH2 3.87Å; M283-W307 HydrophobicContact CE-CZ2 3.82Å; M283-W307 HydrophobicContact CE-CZ3 4.36Å; M283-W307 HydrophobicContact CG-CD2 3.76Å; M283-W307 HydrophobicContact CG-CE3 4.17Å; M283-W307 HydrophobicContact CG-CG 3.95Å; M283-W307 HydrophobicContact CG-CZ2 4.36Å; M283-W307 HydrophobicContact SD-CZ2 4.27Å; F287-W307 HydrophobicContact CE2-CH2 4.44Å; F287-W307 HydrophobicContact CE2-CZ3 4.08Å; F287-W307 HydrophobicContact CZ-CH2 4Å; F287-W307 HydrophobicContact CZ-CZ3 4.11Å; W301-W307 HydrophobicContact CB-CH2 4.08Å; W301-W307 HydrophobicContact CB-CZ2 4.44Å; A303-W307 HydrophobicContact CB-CD2 3.82Å; A303-W307 HydrophobicContact CB-CE3 4.15Å; A303-W307 HydrophobicContact CB-CH2 3.64Å; A303-W307 HydrophobicContact CB-CZ2 3.26Å; A303-W307 HydrophobicContact CB-CZ3 4.07Å; S304-W307 PolarHBondContact O-N 3.44Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 2.85Å; W307-Q309 PolarHBondContact O-N 2.84Å; W307-Q309 VanDerWaalsContact O-N 3.12Å; W307-A310 HydrophobicContact CB-CB 4.35Å; W307-A310 WeakPolarHBondContact O-CB 3.4Å; W307-A310 PolarHBondContact O-N 3.21Å; W307-C313 HydrophobicContact CE3-CB 4.44Å; W307-V327 HydrophobicContact CH2-CG1 3.81Å; W307-V327 HydrophobicContact CZ3-CG1 3.92Å; W307-W454 HydrophobicContact CE3-CH2 4.44Å; W307-W454 HydrophobicContact CE3-CZ2 4.22Å; W307-W454 HydrophobicContact CZ3-CH2 4.08Å; W307-W454 HydrophobicContact CZ3-CZ2 4.05Å
308	S	93.5	Very high	89.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.3	-177.5	53.3	0	0	0	0	114.6	S304 I330 T331 I452 W454	S304-S308 WeakPolarHBondContact O-CB 3.25Å; S304-S308 PolarHBondContact O-N 3.41Å; S304-S308 PolarHBondContact O-OG 3.26Å; S308-I330 PolarHBondContact OG-O 2.89Å; S308-T331 WeakPolarHBondContact OG-CB 3.46Å; S308-I452 WeakPolarHBondContact O-CD1 3.35Å; S308-W454 PolarHBondContact O-NE1 3.44Å
309	Q	89.7	Confident	89.2	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.047	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	5.7	173.8	-69.4	-168.4	-12	0	0	113.4	W307 A311 T331 Y384 I452	W307-Q309 PolarHBondContact O-N 2.84Å; W307-Q309 VanDerWaalsContact O-N 3.12Å; Q309-A311 PolarHBondContact O-N 2.75Å; Q309-T331 HydrophobicContact CG-CG2 4.49Å; Q309-Y384 HydrophobicContact CB-CD1 4.32Å; Q309-Y384 WeakPolarHBondContact O-CE1 3.39Å; Q309-I452 HydrophobicContact CG-CD1 3.41Å; Q309-I452 VanDerWaalsContact CG-CD1 3.41Å
310	A	85.1	Confident	89	Confident	8 Å²	8	31 Å²	31	7%	0.066	16%	0.164	C	C	.	.			trans	-78.5	114.8	-172	0	0	0	0	0	111.7	P280 W307 D312 C313 Y384	P280-A310 HydrophobicContact CB-CB 3.86Å; P280-A310 HydrophobicContact CG-CB 3.67Å; W307-A310 HydrophobicContact CB-CB 4.35Å; W307-A310 WeakPolarHBondContact O-CB 3.4Å; W307-A310 PolarHBondContact O-N 3.21Å; A310-D312 VanDerWaalsContact C-N 3.28Å; A310-D312 PolarHBondContact O-N 3.5Å; A310-C313 VanDerWaalsContact CB-SG 3.54Å; A310-C313 PolarHBondContact O-SG 2.95Å; A310-Y384 WeakPolarHBondContact CA-OH 3.44Å
311	A	70.7	Confident	88.7	Confident	32 Å²	32	31.8 Å²	31.8	26%	0.264	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-66.1	-28.7	-171.6	0	0	0	0	0	114.5	Q309 C313 M382 Y384 M464	Q309-A311 PolarHBondContact O-N 2.75Å; A311-C313 PolarHBondContact O-N 3.37Å; A311-M382 HydrophobicContact CB-SD 4.27Å; A311-Y384 PolarHBondContact N-OH 2.74Å; A311-M464 HydrophobicContact CB-CE 3.86Å; A311-M464 HydrophobicContact CB-SD 4.48Å
312	D	77.1	Confident	88.3	Confident	89 Å²	89	37.1 Å²	37.1	48%	0.476	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-93.6	5.3	-168.9	-54.5	-39.7	0	0	0	113.8	K284 A310 L314 M382	K284-D312 WeakPolarHBondContact CD-O 3.13Å; A310-D312 VanDerWaalsContact C-N 3.28Å; A310-D312 PolarHBondContact O-N 3.5Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-L314 PolarHBondContact O-N 3.29Å; D312-M382 VanDerWaalsContact OD2-CE 3.26Å; D312-M382 WeakPolarHBondContact OD2-CE 3.04Å
313	C	85.4	Confident	88.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-68.8	-25.6	-178.3	-70.1	0	0	0	0	113.5	K284 F287 W307 A310 A311 W454	K284-C313 WeakPolarHBondContact CA-O 3.37Å; F287-C313 WeakPolarHBondContact CD2-O 3.48Å; W307-C313 HydrophobicContact CE3-CB 4.44Å; A310-C313 VanDerWaalsContact CB-SG 3.54Å; A310-C313 PolarHBondContact O-SG 2.95Å; A311-C313 PolarHBondContact O-N 3.37Å; C313-W454 HydrophobicContact CB-CH2 4.03Å
314	L	87.6	Confident	87.9	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.037	21%	0.205	C	C	.	.	S	Bend	trans	-122.4	123	-177.7	-175.4	62.3	0	0	0	109.8	F287 L291 D312 M316 W319 V324 W454	F287-L314 HydrophobicContact CB-CD1 4.24Å; F287-L314 HydrophobicContact CD2-CD1 4.25Å; F287-L314 HydrophobicContact CG-CD1 4.46Å; L291-L314 HydrophobicContact CD1-CD1 3.96Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-L314 PolarHBondContact O-N 3.29Å; L314-M316 VanDerWaalsContact C-N 3.33Å; L314-M316 HydrophobicContact CB-CE 3.86Å; L314-M316 HydrophobicContact CB-SD 4.41Å; L314-M316 HydrophobicContact CD2-CE 3.67Å; L314-M316 HydrophobicContact CD2-SD 3.7Å; L314-M316 HydrophobicContact CG-CE 4.04Å; L314-M316 HydrophobicContact CG-SD 4.01Å; L314-M316 PolarHBondContact O-N 2.65Å; L314-W319 HydrophobicContact CD1-CB 3.77Å; L314-W319 HydrophobicContact CD1-CG 4.43Å; L314-W319 HydrophobicContact CG-CB 4.44Å; L314-V324 HydrophobicContact CD1-CG2 3.68Å; L314-V324 HydrophobicContact CD2-CG2 3.79Å; L314-V324 HydrophobicContact CG-CG2 4.41Å; L314-W454 HydrophobicContact CB-CZ3 4.45Å
315	D	86	Confident	87.6	Confident	50 Å²	50	39.7 Å²	39.7	27%	0.267	22%	0.215	S	C	.	.			trans	-73.9	89.1	173	-175.7	7.1	0	0	0	110.2	K317 T318 W319	D315-K317 PolarHBondContact O-N 2.99Å; D315-K317 WeakPolarHBondContact OD1-CB 3.15Å; D315-K317 PolarHBondContact OD1-N 3.02Å; D315-K317 VanDerWaalsContact OD1-N 3.17Å; D315-T318 PolarHBondContact O-N 3.09Å; D315-T318 PolarHBondContact OD2-OG1 2.92Å; D315-T318 VanDerWaalsContact OD2-OG1 3.07Å; D315-W319 PolarHBondContact O-N 3.44Å
316	M	82.3	Confident	87.5	Confident	52 Å²	52	40.2 Å²	40.2	26%	0.256	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.1	-178.6	-60.2	-67.6	178.3	0	0	113.8	L314 T318 W319 V462	L314-M316 VanDerWaalsContact C-N 3.33Å; L314-M316 HydrophobicContact CB-CE 3.86Å; L314-M316 HydrophobicContact CB-SD 4.41Å; L314-M316 HydrophobicContact CD2-CE 3.67Å; L314-M316 HydrophobicContact CD2-SD 3.7Å; L314-M316 HydrophobicContact CG-CE 4.04Å; L314-M316 HydrophobicContact CG-SD 4.01Å; L314-M316 PolarHBondContact O-N 2.65Å; M316-T318 VanDerWaalsContact C-N 3.35Å; M316-W319 WeakPolarHBondContact CA-O 3.48Å; M316-V462 HydrophobicContact CE-CB 3.64Å; M316-V462 HydrophobicContact CE-CG2 3.27Å; M316-V462 HydrophobicContact SD-CG2 3.85Å
317	K	84.9	Confident	87.6	Confident	201 Å²	201	39.6 Å²	39.6	87%	0.874	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-30.2	172.3	-61.9	178.3	-179.1	173.3	0	111.7	D315	D315-K317 PolarHBondContact O-N 2.99Å; D315-K317 WeakPolarHBondContact OD1-CB 3.15Å; D315-K317 PolarHBondContact OD1-N 3.02Å; D315-K317 VanDerWaalsContact OD1-N 3.17Å
318	T	87.8	Confident	87.5	Confident	84 Å²	84	39.9 Å²	39.9	52%	0.515	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-39.4	-175.3	-50.6	0	0	0	0	111.7	D315 M316	D315-T318 PolarHBondContact O-N 3.09Å; D315-T318 PolarHBondContact OD2-OG1 2.92Å; D315-T318 VanDerWaalsContact OD2-OG1 3.07Å; M316-T318 VanDerWaalsContact C-N 3.35Å
319	W	89.8	Confident	87.5	Confident	41 Å²	41	39.9 Å²	39.9	16%	0.155	22%	0.217	C	C	.	.			trans	-126.2	150.9	-169	-53.1	115.1	0	0	0	112.2	N288 L291 E292 L314 D315 M316	N288-W319 PolarHBondContact OD1-NE1 3.35Å; L291-W319 HydrophobicContact CB-CD2 3.71Å; L291-W319 HydrophobicContact CB-CE3 3.73Å; L291-W319 HydrophobicContact CB-CG 4.33Å; L291-W319 HydrophobicContact CB-CH2 4.11Å; L291-W319 HydrophobicContact CB-CZ2 4.07Å; L291-W319 HydrophobicContact CB-CZ3 3.94Å; L291-W319 HydrophobicContact CD1-CB 3.8Å; L291-W319 HydrophobicContact CD1-CD2 3.91Å; L291-W319 HydrophobicContact CD1-CE3 4.39Å; L291-W319 HydrophobicContact CD1-CG 3.63Å; L291-W319 HydrophobicContact CG-CD2 4.49Å; L291-W319 WeakPolarHBondContact O-CH2 3.33Å; L291-W319 WeakPolarHBondContact O-CZ3 3.44Å; E292-W319 HydrophobicContact CG-CH2 3.96Å; E292-W319 HydrophobicContact CG-CZ2 3.84Å; L314-W319 HydrophobicContact CD1-CB 3.77Å; L314-W319 HydrophobicContact CD1-CG 4.43Å; L314-W319 HydrophobicContact CG-CB 4.44Å; D315-W319 PolarHBondContact O-N 3.44Å; M316-W319 WeakPolarHBondContact CA-O 3.48Å
320	S	89.9	Confident	87.7	Confident	49 Å²	49	39.5 Å²	39.5	34%	0.343	22%	0.215	S	C	.	.			trans	-106.4	161.8	173.3	74.4	0	0	0	0	111.9	N322 D323 V324	S320-N322 PolarHBondContact O-N 3.3Å; S320-N322 PolarHBondContact OG-N 3.47Å; S320-D323 WeakPolarHBondContact CB-OD2 3.44Å; S320-D323 PolarHBondContact N-OD2 3.3Å; S320-D323 WeakPolarHBondContact O-CB 3.48Å; S320-D323 PolarHBondContact O-N 2.82Å; S320-D323 VanDerWaalsContact O-N 3.08Å; S320-D323 PolarHBondContact OG-N 3.09Å; S320-D323 PolarHBondContact OG-OD2 3.04Å; S320-V324 PolarHBondContact O-N 3.01Å
321	L	88.8	Confident	88.2	Confident	21 Å²	21	39.1 Å²	39.1	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-56.6	-32.2	171.4	-177.2	58.7	0	0	0	112.1	D323 V324 G325 V327 W454 V462	L321-D323 VanDerWaalsContact C-N 3.32Å; L321-D323 PolarHBondContact O-N 3.37Å; L321-V324 PolarHBondContact O-N 3.33Å; L321-G325 PolarHBondContact O-N 2.75Å; L321-V327 HydrophobicContact CD1-CG2 4.39Å; L321-W454 HydrophobicContact CD1-CB 4.04Å; L321-W454 HydrophobicContact CD1-CE3 3.83Å; L321-W454 HydrophobicContact CD2-CB 4.13Å; L321-V462 HydrophobicContact CB-CG2 4Å; L321-V462 HydrophobicContact CD2-CG1 4.05Å; L321-V462 HydrophobicContact CD2-CG2 4.27Å
322	N	88.9	Confident	89.3	Confident	114 Å²	114	37.7 Å²	37.7	61%	0.61	20%	0.2	S	C	*	.	H	α-helix	trans	-65.2	-36.5	178.7	-170.4	50.2	0	0	0	111.8	H298 S320 V324 G325	H298-N322 PolarHBondContact CE1-O 3.35Å; H298-N322 PolarHBondContact ND1-O 3.32Å; S320-N322 PolarHBondContact O-N 3.3Å; S320-N322 PolarHBondContact OG-N 3.47Å; N322-V324 VanDerWaalsContact C-N 3.32Å; N322-V324 PolarHBondContact O-N 3.03Å; N322-G325 PolarHBondContact O-N 3.38Å
323	D	91.5	Very high	90.1	Very high	34 Å²	34	36 Å²	36	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-40.3	175.6	-60	-63.2	0	0	0	111.1	L291 K297 H298 S320 L321	L291-D323 HydrophobicContact CD1-CB 4.47Å; L291-D323 HydrophobicContact CD2-CB 4.3Å; L291-D323 WeakPolarHBondContact CD2-O 3.25Å; K297-D323 CarbonylContact C-O 3.53Å; K297-D323 WeakPolarHBondContact CA-O 3.47Å; K297-D323 VanDerWaalsContact CB-O 3.23Å; K297-D323 WeakPolarHBondContact CB-O 3.43Å; K297-D323 HydrophobicContact CD-CB 4.5Å; H298-D323 PolarHBondContact N-O 3.49Å; S320-D323 WeakPolarHBondContact CB-OD2 3.44Å; S320-D323 PolarHBondContact N-OD2 3.3Å; S320-D323 WeakPolarHBondContact O-CB 3.48Å; S320-D323 PolarHBondContact O-N 2.82Å; S320-D323 VanDerWaalsContact O-N 3.08Å; S320-D323 PolarHBondContact OG-N 3.09Å; S320-D323 PolarHBondContact OG-OD2 3.04Å; L321-D323 VanDerWaalsContact C-N 3.32Å; L321-D323 PolarHBondContact O-N 3.37Å
324	V	92.1	Very high	90.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.5	179.8	0	0	0	0	111.2	F287 L291 H298 K299 L314 S320 L321 N322 V327	F287-V324 HydrophobicContact CE1-CG1 3.93Å; F287-V324 HydrophobicContact CZ-CG1 3.99Å; L291-V324 HydrophobicContact CD1-CG2 3.8Å; L291-V324 HydrophobicContact CD2-CG2 4.36Å; H298-V324 PolarHBondContact N-O 3.43Å; K299-V324 PolarHBondContact N-O 2.98Å; K299-V324 VanDerWaalsContact O-O 3.09Å; L314-V324 HydrophobicContact CD1-CG2 3.68Å; L314-V324 HydrophobicContact CD2-CG2 3.79Å; L314-V324 HydrophobicContact CG-CG2 4.41Å; S320-V324 PolarHBondContact O-N 3.01Å; L321-V324 PolarHBondContact O-N 3.33Å; N322-V324 VanDerWaalsContact C-N 3.32Å; N322-V324 PolarHBondContact O-N 3.03Å; V324-V327 HydrophobicContact CG1-CG2 3.76Å
325	G	91.3	Very high	90.6	Very high	21 Å²	21	37.9 Å²	37.9	22%	0.216	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.3	-116.7	-173.7	0	0	0	0	0	111.4	K299 L321 N322	K299-G325 WeakPolarHBondContact O-CA 3.44Å; L321-G325 PolarHBondContact O-N 2.75Å; N322-G325 PolarHBondContact O-N 3.38Å
326	T	91.9	Very high	90.8	Very high	18 Å²	18	39.3 Å²	39.3	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.6	-178.5	-53.7	0	0	0	0	110.7	K299 V300 W301 L453 I487	K299-T326 PolarHBondContact O-N 3.1Å; V300-T326 CarbonylContact C-O 3.59Å; V300-T326 WeakPolarHBondContact CA-O 3.45Å; W301-T326 PolarHBondContact N-O 2.75Å; T326-L453 HydrophobicContact CG2-CD1 3.79Å; T326-I487 HydrophobicContact CG2-CG2 3.77Å
327	V	93.2	Very high	91.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.8	172.2	-175.6	0	0	0	0	108.9	W301 A303 W307 L321 V324 W454	W301-V327 HydrophobicContact CB-CG1 4.4Å; W301-V327 HydrophobicContact CB-CG2 4.22Å; A303-V327 HydrophobicContact CB-CG1 4.05Å; W307-V327 HydrophobicContact CH2-CG1 3.81Å; W307-V327 HydrophobicContact CZ3-CG1 3.92Å; L321-V327 HydrophobicContact CD1-CG2 4.39Å; V324-V327 HydrophobicContact CG1-CG2 3.76Å; V327-W454 HydrophobicContact CB-CB 4.01Å; V327-W454 HydrophobicContact CB-CD2 3.69Å; V327-W454 HydrophobicContact CB-CE3 3.98Å; V327-W454 HydrophobicContact CB-CG 3.71Å; V327-W454 HydrophobicContact CG1-CD2 3.77Å; V327-W454 HydrophobicContact CG1-CE3 4.28Å; V327-W454 HydrophobicContact CG1-CG 3.97Å; V327-W454 HydrophobicContact CG1-CZ2 4.31Å; V327-W454 HydrophobicContact CG2-CD2 4.07Å; V327-W454 HydrophobicContact CG2-CE3 3.8Å; V327-W454 HydrophobicContact CG2-CG 4.49Å; V327-W454 HydrophobicContact CG2-CZ3 4.27Å; V327-W454 PolarHBondContact O-N 3Å
328	F	91.2	Very high	91.6	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.8	177.2	-172.1	-75.6	0	0	0	108.1	I202 W301 L302 A303 L451 I468 I480	I202-F328 HydrophobicContact CD1-CD1 4.15Å; I202-F328 HydrophobicContact CD1-CE1 3.43Å; I202-F328 VanDerWaalsContact CD1-CE1 3.43Å; I202-F328 HydrophobicContact CD1-CZ 4.15Å; I202-F328 HydrophobicContact CG1-CE1 4.22Å; W301-F328 PolarHBondContact O-N 3.3Å; L302-F328 CarbonylContact C-O 3.51Å; L302-F328 VanDerWaalsContact CA-O 3.32Å; L302-F328 WeakPolarHBondContact CA-O 3.12Å; L302-F328 HydrophobicContact CD2-CB 3.79Å; L302-F328 HydrophobicContact CD2-CD1 4.01Å; L302-F328 HydrophobicContact CD2-CG 4.14Å; A303-F328 PolarHBondContact N-O 3Å; F328-L451 HydrophobicContact CE1-CB 4.38Å; F328-L451 HydrophobicContact CE1-CD2 4.08Å; F328-L451 HydrophobicContact CZ-CB 4.21Å; F328-L451 HydrophobicContact CZ-CD1 4.4Å; F328-L451 HydrophobicContact CZ-CD2 4.48Å; F328-I468 HydrophobicContact CD2-CD1 3.72Å; F328-I468 HydrophobicContact CE2-CD1 3.1Å; F328-I468 HydrophobicContact CE2-CG1 4.44Å; F328-I468 HydrophobicContact CZ-CD1 3.66Å; F328-I480 HydrophobicContact CZ-CD1 4.07Å
329	G	92.3	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.4	-176	0	0	0	0	0	113	A303 L451 I452	A303-G329 WeakPolarHBondContact O-CA 3.48Å; G329-L451 WeakPolarHBondContact O-CA 3.11Å; G329-I452 PolarHBondContact N-O 3.09Å; G329-I452 PolarHBondContact O-N 2.79Å
330	I	94.4	Very high	92.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.2	161.9	-52.9	-168	0	0	0	106.5	Q195 A198 I199 I202 A303 S304 D305 S308 Y449 L451	Q195-I330 HydrophobicContact CG-CG2 4.13Å; A198-I330 HydrophobicContact CB-CD1 3.98Å; I199-I330 HydrophobicContact CB-CD1 4.32Å; I199-I330 HydrophobicContact CD1-CD1 4.38Å; I199-I330 HydrophobicContact CG1-CD1 3.34Å; I199-I330 HydrophobicContact CG1-CG1 4.34Å; I202-I330 HydrophobicContact CD1-CD1 3.6Å; I202-I330 HydrophobicContact CD1-CG1 4.12Å; A303-I330 PolarHBondContact O-N 2.88Å; S304-I330 CarbonylContact C-O 3.58Å; D305-I330 WeakPolarHBondContact CA-O 3.27Å; D305-I330 PolarHBondContact N-O 2.98Å; S308-I330 PolarHBondContact OG-O 2.89Å; I330-Y449 HydrophobicContact CG2-CD1 3.69Å; I330-Y449 HydrophobicContact CG2-CG 3.85Å; I330-L451 HydrophobicContact CB-CD2 4.38Å; I330-L451 HydrophobicContact CD1-CD2 4.25Å; I330-L451 HydrophobicContact CG1-CD2 3.82Å; I330-L451 HydrophobicContact CG2-CD2 4.26Å
331	T	94.8	Very high	92.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156.7	-177.5	-167.1	0	0	0	0	110.4	S308 Q309 Y449 D450 I452	S308-T331 WeakPolarHBondContact OG-CB 3.46Å; Q309-T331 HydrophobicContact CG-CG2 4.49Å; T331-Y449 CarbonylContact O-C 3.55Å; T331-Y449 WeakPolarHBondContact O-CA 3.2Å; T331-Y449 WeakPolarHBondContact O-CB 3.46Å; T331-Y449 WeakPolarHBondContact O-CD1 3.45Å; T331-D450 HydrophobicContact CG2-CB 4.11Å; T331-D450 PolarHBondContact N-O 2.92Å; T331-D450 PolarHBondContact O-N 3.36Å; T331-I452 HydrophobicContact CG2-CD1 4.32Å; T331-I452 HydrophobicContact CG2-CG1 4.32Å; T331-I452 HydrophobicContact CG2-CG2 3.99Å
332	L	94.9	Very high	92.6	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	158.5	174.2	-67.9	169.8	0	0	0	110.6	T172 V189 P190 D305 S334 Y386 Y449	T172-L332 HydrophobicContact CG2-CD2 4.2Å; V189-L332 HydrophobicContact CB-CD1 4.21Å; V189-L332 HydrophobicContact CB-CD2 3.81Å; V189-L332 HydrophobicContact CG1-CD1 3.69Å; V189-L332 HydrophobicContact CG1-CD2 4.03Å; V189-L332 HydrophobicContact CG1-CG 4.37Å; P190-L332 HydrophobicContact CG-CD2 4.16Å; D305-L332 HydrophobicContact CB-CG 3.97Å; L332-S334 PolarHBondContact O-N 3.29Å; L332-S334 VanDerWaalsContact O-N 3.1Å; L332-Y386 HydrophobicContact CB-CD2 4.29Å; L332-Y386 HydrophobicContact CB-CG 4.3Å; L332-Y386 HydrophobicContact CD1-CD2 3.96Å; L332-Y386 HydrophobicContact CD1-CE2 4.48Å; L332-Y449 HydrophobicContact CD2-CD1 4.36Å; L332-Y449 HydrophobicContact CD2-CE1 3.79Å
333	K	93.3	Very high	92.8	Very high	54 Å²	54	32.5 Å²	32.5	24%	0.235	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-51.6	120.8	-179.1	-172.7	73.5	-158.9	125.8	0	110.9	Y386 F389 D450	K333-Y386 WeakPolarHBondContact O-CA 3.36Å; K333-F389 HydrophobicContact CB-CD1 3.91Å; K333-F389 HydrophobicContact CB-CE1 3.87Å; K333-F389 HydrophobicContact CB-CZ 4.44Å; K333-F389 HydrophobicContact CG-CD1 4.1Å; K333-F389 HydrophobicContact CG-CD2 4.41Å; K333-F389 HydrophobicContact CG-CE1 3.88Å; K333-F389 HydrophobicContact CG-CE2 4.21Å; K333-F389 HydrophobicContact CG-CG 4.37Å; K333-F389 HydrophobicContact CG-CZ 3.95Å; K333-F389 WeakPolarHBondContact O-CB 3.42Å; K333-F389 WeakPolarHBondContact O-CD1 3.42Å; K333-F389 WeakPolarHBondContact O-CG 2.7Å; K333-D450 IonicContact NZ-OD1 3.13Å; K333-D450 PolarHBondContact NZ-OD1 3.42Å; K333-D450 IonicContact NZ-OD2 2.74Å; K333-D450 PolarHBondContact NZ-OD2 3.5Å
334	S	92.3	Very high	92.8	Very high	32 Å²	32	30.9 Å²	30.9	22%	0.224	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-85.9	141	-179.6	-68.3	0	0	0	0	111.7	L332 D450	L332-S334 PolarHBondContact O-N 3.29Å; L332-S334 VanDerWaalsContact O-N 3.1Å; S334-D450 PolarHBondContact N-OD2 3.09Å
335	G	90.4	Very high	92.8	Very high	14 Å²	14	36.3 Å²	36.3	14%	0.144	18%	0.18	C	C	.	.			trans	-116.4	173.9	176.7	0	0	0	0	0	113.2	T337 P385	G335-T337 PolarHBondContact O-N 3.47Å; G335-P385 PolarHBondContact N-O 3.2Å
336	D	90.2	Very high	92.7	Very high	80 Å²	80	41.2 Å²	41.2	43%	0.428	20%	0.201	S	C	.	.			trans	-75.1	117.6	178	-177.8	17.8	0	0	0	111.9	S338	D336-S338 WeakPolarHBondContact OD1-CB 3.25Å; D336-S338 PolarHBondContact OD1-N 3.04Å; D336-S338 PolarHBondContact OD1-OG 3.27Å
337	T	91.4	Very high	92.4	Very high	18 Å²	18	41.3 Å²	41.3	11%	0.11	20%	0.2	C	C	.	.			trans	-87.7	-4.6	177.5	57.3	0	0	0	0	113.3	G335 K339 F340 K341 P385 A388	G335-T337 PolarHBondContact O-N 3.47Å; T337-K339 VanDerWaalsContact C-N 3.35Å; T337-K339 PolarHBondContact O-N 3.42Å; T337-F340 PolarHBondContact O-N 2.75Å; T337-K341 WeakPolarHBondContact O-CG 3.38Å; T337-K341 PolarHBondContact O-N 3.09Å; T337-K341 WeakPolarHBondContact OG1-CE 3.21Å; T337-P385 HydrophobicContact CG2-CB 4.19Å; T337-P385 HydrophobicContact CG2-CG 4.11Å; T337-A388 HydrophobicContact CG2-CB 4.03Å
338	S	93.4	Very high	91.9	Very high	64 Å²	64	46.3 Å²	46.3	45%	0.448	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-40	-171.8	-57.1	0	0	0	0	113.1	D336 R342	D336-S338 WeakPolarHBondContact OD1-CB 3.25Å; D336-S338 PolarHBondContact OD1-N 3.04Å; D336-S338 PolarHBondContact OD1-OG 3.27Å; S338-R342 WeakPolarHBondContact O-CB 3.49Å; S338-R342 PolarHBondContact O-N 3.46Å; S338-R342 VanDerWaalsContact O-N 3.07Å
339	K	92.8	Very high	91	Very high	96 Å²	96	52.2 Å²	52.2	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-47.5	176.4	-68.6	-178.6	178.7	-179.7	0	111.5	E87 T337 R342 F343	E87-K339 IonicContact OE1-NZ 3.2Å; E87-K339 PolarHBondContact OE1-NZ 2.64Å; E87-K339 IonicContact OE2-NZ 2.7Å; T337-K339 VanDerWaalsContact C-N 3.35Å; T337-K339 PolarHBondContact O-N 3.42Å; K339-R342 WeakPolarHBondContact O-CB 2.96Å; K339-R342 PolarHBondContact O-N 3.28Å; K339-F343 PolarHBondContact O-N 2.81Å
340	F	94.9	Very high	90	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-43.4	178.9	179.3	-114.4	0	0	0	112.2	A76 L79 M80 H83 T337 R342 F343 L344 S383	A76-F340 HydrophobicContact CB-CE1 4.42Å; A76-F340 WeakPolarHBondContact O-CZ 3.3Å; L79-F340 HydrophobicContact CB-CE2 3.98Å; L79-F340 HydrophobicContact CB-CZ 3.89Å; M80-F340 HydrophobicContact CB-CE2 4.34Å; M80-F340 HydrophobicContact CE-CD1 3.75Å; M80-F340 HydrophobicContact CE-CE1 3.66Å; M80-F340 HydrophobicContact CE-CZ 4.49Å; M80-F340 HydrophobicContact CG-CD1 3.84Å; M80-F340 HydrophobicContact CG-CD2 3.93Å; M80-F340 HydrophobicContact CG-CE1 3.66Å; M80-F340 HydrophobicContact CG-CE2 3.78Å; M80-F340 HydrophobicContact CG-CG 3.96Å; M80-F340 HydrophobicContact CG-CZ 3.63Å; H83-F340 HydrophobicContact CB-CD2 3.74Å; H83-F340 HydrophobicContact CB-CE2 4.13Å; H83-F340 AromaticContact CD2-CD2 3.91Å; H83-F340 AromaticContact CG-CD2 3.9Å; T337-F340 PolarHBondContact O-N 2.75Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.14Å; F340-F343 AromaticContact CD2-CD1 3.93Å; F340-F343 HydrophobicContact CD2-CD1 3.93Å; F340-F343 AromaticContact CE2-CD1 3.87Å; F340-F343 HydrophobicContact CE2-CD1 3.87Å; F340-F343 HydrophobicContact CE2-CE1 4.18Å; F340-F343 WeakPolarHBondContact O-CA 3.29Å; F340-F343 VanDerWaalsContact O-CB 3.31Å; F340-F343 WeakPolarHBondContact O-CB 3.37Å; F340-F343 PolarHBondContact O-N 3.31Å; F340-F343 VanDerWaalsContact O-N 3.1Å; F340-L344 HydrophobicContact CD1-CD1 4.11Å; F340-L344 HydrophobicContact CD1-CG 4.47Å; F340-L344 HydrophobicContact CE1-CD1 3.54Å; F340-L344 HydrophobicContact CE1-CD2 4.45Å; F340-L344 HydrophobicContact CE1-CG 4.03Å; F340-L344 HydrophobicContact CE2-CD2 4.13Å; F340-L344 HydrophobicContact CE2-CG 4.17Å; F340-L344 HydrophobicContact CZ-CD1 3.79Å; F340-L344 HydrophobicContact CZ-CD2 3.84Å; F340-L344 HydrophobicContact CZ-CG 3.87Å; F340-L344 PolarHBondContact O-N 3.41Å; F340-S383 VanDerWaalsContact CE1-OG 3.3Å; F340-S383 WeakPolarHBondContact CE1-OG 3.01Å
341	K	94.5	Very high	89.2	Confident	53 Å²	53	59.6 Å²	59.6	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-36.4	175	-69.6	-175.5	-175	-161.2	0	112.1	T337 R345 A380	T337-K341 WeakPolarHBondContact O-CG 3.38Å; T337-K341 PolarHBondContact O-N 3.09Å; T337-K341 WeakPolarHBondContact OG1-CE 3.21Å; K341-R345 VanDerWaalsContact O-CG 3.31Å; K341-R345 WeakPolarHBondContact O-CG 3.42Å; K341-R345 PolarHBondContact O-N 2.99Å; K341-A380 WeakPolarHBondContact CE-O 3.3Å; K341-A380 HydrophobicContact CG-CB 4.16Å; K341-A380 PolarHBondContact NZ-O 3.39Å
342	R	94.3	Very high	88.3	Confident	160 Å²	160	65.3 Å²	65.3	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-67.7	-40.3	173.5	-168.5	-174.9	-57.7	157.3	4.7	111.6	S338 K339 F340 R345 N346	S338-R342 WeakPolarHBondContact O-CB 3.49Å; S338-R342 PolarHBondContact O-N 3.46Å; S338-R342 VanDerWaalsContact O-N 3.07Å; K339-R342 WeakPolarHBondContact O-CB 2.96Å; K339-R342 PolarHBondContact O-N 3.28Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.14Å; R342-R345 PolarHBondContact O-N 3.15Å; R342-N346 WeakPolarHBondContact O-CB 3.33Å; R342-N346 PolarHBondContact O-N 2.96Å
343	F	92.9	Very high	87.6	Confident	21 Å²	21	66.2 Å²	66.2	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-56.9	-49.8	173	163.7	-99.9	0	0	0	111.2	V82 H83 E86 K339 F340 R345 N346 L347 L353	V82-F343 HydrophobicContact CG1-CZ 4.33Å; H83-F343 HydrophobicContact CB-CD1 3.88Å; H83-F343 HydrophobicContact CB-CE1 4Å; H83-F343 HydrophobicContact CB-CG 4.18Å; H83-F343 HydrophobicContact CB-CZ 4.4Å; H83-F343 AromaticContact CG-CG 3.91Å; H83-F343 WeakPolarHBondContact ND1-CB 3.33Å; H83-F343 AromaticContact ND1-CD1 3.93Å; H83-F343 AromaticContact ND1-CD2 3.56Å; H83-F343 AromaticContact ND1-CG 3.33Å; H83-F343 VanDerWaalsContact ND1-CG 3.33Å; H83-F343 WeakPolarHBondContact ND1-CG 3.34Å; E86-F343 WeakPolarHBondContact OE2-CE2 3.13Å; K339-F343 PolarHBondContact O-N 2.81Å; F340-F343 AromaticContact CD2-CD1 3.93Å; F340-F343 HydrophobicContact CD2-CD1 3.93Å; F340-F343 AromaticContact CE2-CD1 3.87Å; F340-F343 HydrophobicContact CE2-CD1 3.87Å; F340-F343 HydrophobicContact CE2-CE1 4.18Å; F340-F343 WeakPolarHBondContact O-CA 3.29Å; F340-F343 VanDerWaalsContact O-CB 3.31Å; F340-F343 WeakPolarHBondContact O-CB 3.37Å; F340-F343 PolarHBondContact O-N 3.31Å; F340-F343 VanDerWaalsContact O-N 3.1Å; F343-R345 PolarHBondContact O-N 2.83Å; F343-N346 PolarHBondContact O-N 2.98Å; F343-L347 HydrophobicContact CE2-CD2 4.35Å; F343-L347 HydrophobicContact CZ-CD2 4.16Å; F343-L347 PolarHBondContact O-N 3.2Å; F343-L353 HydrophobicContact CZ-CD2 3.71Å
344	L	92.6	Very high	86.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-45.2	176.7	-67.8	179.4	0	0	0	112.5	L79 F340 N346 L347 I376 L379 A380	L79-L344 HydrophobicContact CD1-CD2 4.09Å; F340-L344 HydrophobicContact CD1-CD1 4.11Å; F340-L344 HydrophobicContact CD1-CG 4.47Å; F340-L344 HydrophobicContact CE1-CD1 3.54Å; F340-L344 HydrophobicContact CE1-CD2 4.45Å; F340-L344 HydrophobicContact CE1-CG 4.03Å; F340-L344 HydrophobicContact CE2-CD2 4.13Å; F340-L344 HydrophobicContact CE2-CG 4.17Å; F340-L344 HydrophobicContact CZ-CD1 3.79Å; F340-L344 HydrophobicContact CZ-CD2 3.84Å; F340-L344 HydrophobicContact CZ-CG 3.87Å; F340-L344 PolarHBondContact O-N 3.41Å; L344-N346 PolarHBondContact O-N 2.91Å; L344-L347 HydrophobicContact CD2-CD1 3.94Å; L344-L347 WeakPolarHBondContact O-CB 3.41Å; L344-L347 WeakPolarHBondContact O-CG 3.36Å; L344-L347 PolarHBondContact O-N 2.96Å; L344-L347 VanDerWaalsContact O-N 3.16Å; L344-I376 HydrophobicContact CB-CG2 4.09Å; L344-I376 VanDerWaalsContact O-CG2 3.22Å; L344-I376 WeakPolarHBondContact O-CG2 3.14Å; L344-L379 HydrophobicContact CD1-CB 3.97Å; L344-A380 HydrophobicContact CD1-CB 4.23Å
345	R	91.1	Very high	85.9	Confident	115 Å²	115	68.9 Å²	68.9	43%	0.434	34%	0.343	S	S	.	.	H	α-helix	trans	-68.1	-19.5	179.6	-72	174.9	-177.7	152.1	1.6	114.4	K341 R342 F343 I376 E377	K341-R345 VanDerWaalsContact O-CG 3.31Å; K341-R345 WeakPolarHBondContact O-CG 3.42Å; K341-R345 PolarHBondContact O-N 2.99Å; R342-R345 PolarHBondContact O-N 3.15Å; F343-R345 PolarHBondContact O-N 2.83Å; R345-I376 HydrophobicContact CG-CG2 4.3Å; R345-E377 IonicContact CZ-OE1 2.64Å; R345-E377 IonicContact CZ-OE2 3.82Å; R345-E377 IonicContact NE-OE2 3.23Å; R345-E377 PolarHBondContact NE-OE2 3.33Å; R345-E377 VanDerWaalsContact NE-OE2 3.13Å; R345-E377 IonicContact NH2-OE1 3.8Å; R345-E377 PolarHBondContact NH2-OE1 2.82Å; R345-E377 IonicContact NH2-OE2 2.78Å; R345-E377 PolarHBondContact NH2-OE2 2.77Å
346	N	89.4	Confident	85.5	Confident	124 Å²	124	72.5 Å²	72.5	66%	0.663	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	1.9	176.6	-69.4	-6.4	0	0	0	112.5	R342 F343 L344	R342-N346 WeakPolarHBondContact O-CB 3.33Å; R342-N346 PolarHBondContact O-N 2.96Å; F343-N346 PolarHBondContact O-N 2.98Å; L344-N346 PolarHBondContact O-N 2.91Å
347	L	86.8	Confident	85.4	Confident	19 Å²	19	68.8 Å²	68.8	10%	0.099	34%	0.339	C	S	.	.			trans	-67	135.6	174.8	-70.2	173.4	0	0	0	110.1	F343 L344 L353 F372 I376	F343-L347 HydrophobicContact CE2-CD2 4.35Å; F343-L347 HydrophobicContact CZ-CD2 4.16Å; F343-L347 PolarHBondContact O-N 3.2Å; L344-L347 HydrophobicContact CD2-CD1 3.94Å; L344-L347 WeakPolarHBondContact O-CB 3.41Å; L344-L347 WeakPolarHBondContact O-CG 3.36Å; L344-L347 PolarHBondContact O-N 2.96Å; L344-L347 VanDerWaalsContact O-N 3.16Å; L347-L353 HydrophobicContact CD2-CD2 3.85Å; L347-F372 HydrophobicContact CB-CZ 4.36Å; L347-F372 VanDerWaalsContact O-CE1 3.31Å; L347-F372 WeakPolarHBondContact O-CE1 3.3Å; L347-I376 HydrophobicContact CB-CD1 4.46Å; L347-I376 HydrophobicContact CD1-CD1 4.13Å
348	D	81.1	Confident	85.1	Confident	106 Å²	106	69.5 Å²	69.5	57%	0.567	34%	0.344	S	S	*	.			trans	-99.8	146.9	171.2	-160.8	-7.2	0	0	0	109.7	D350 S351 C354	D348-D350 PolarHBondContact O-N 3.43Å; D348-S351 WeakPolarHBondContact O-CB 3.05Å; D348-S351 PolarHBondContact O-N 2.78Å; D348-S351 VanDerWaalsContact O-N 3.15Å; D348-S351 PolarHBondContact O-OG 2.57Å; D348-C354 PolarHBondContact O-SG 3.03Å
349	E	74.2	Confident	84.8	Confident	131 Å²	131	66.6 Å²	66.6	61%	0.612	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35	-179.1	-169.6	168.2	-175.2	0	0	110.9	F372	E349-F372 HydrophobicContact CB-CD2 4.21Å; E349-F372 HydrophobicContact CB-CE2 4.1Å; E349-F372 HydrophobicContact CB-CZ 4.48Å; E349-F372 HydrophobicContact CG-CD2 4.21Å; E349-F372 HydrophobicContact CG-CE2 4.34Å
350	D	69.6	Low	84.6	Confident	125 Å²	125	62 Å²	62	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	3.9	-180	-70.4	-38.1	0	0	0	114.5	D348 Q355	D348-D350 PolarHBondContact O-N 3.43Å; D350-Q355 PolarHBondContact O-NE2 3.2Å; D350-Q355 VanDerWaalsContact O-NE2 3.08Å
351	S	78.1	Confident	84.1	Confident	30 Å²	30	62.9 Å²	62.9	21%	0.21	31%	0.31	C	S	.	.			trans	-61.9	147.7	-175.9	65.4	0	0	0	0	113.4	D348 L353 C354 Q355	D348-S351 WeakPolarHBondContact O-CB 3.05Å; D348-S351 PolarHBondContact O-N 2.78Å; D348-S351 VanDerWaalsContact O-N 3.15Å; D348-S351 PolarHBondContact O-OG 2.57Å; S351-L353 PolarHBondContact O-N 3.42Å; S351-C354 WeakPolarHBondContact O-CB 3.49Å; S351-C354 PolarHBondContact O-N 3.01Å; S351-C354 PolarHBondContact OG-N 2.98Å; S351-C354 PolarHBondContact OG-SG 2.83Å; S351-Q355 PolarHBondContact O-N 2.75Å
352	D	76.3	Confident	83.5	Confident	121 Å²	121	61.9 Å²	61.9	65%	0.647	31%	0.307	S	S	*	.	H	α-helix	trans	-54.3	-30	175.9	-69.2	-30.4	0	0	0	112.2	Q355 N356	D352-Q355 PolarHBondContact O-N 3.22Å; D352-N356 VanDerWaalsContact O-CB 3.23Å; D352-N356 WeakPolarHBondContact O-CB 3.05Å; D352-N356 VanDerWaalsContact O-CG 3.28Å; D352-N356 PolarHBondContact O-N 2.03Å; D352-N356 PolarHBondContact O-ND2 2.8Å
353	L	80.4	Confident	83.1	Confident	22 Å²	22	54.6 Å²	54.6	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-41.8	176.1	-177.1	62.6	0	0	0	112.2	V82 F101 F343 L347 S351 Q355 N357 L360	V82-L353 HydrophobicContact CG1-CD1 3.73Å; V82-L353 HydrophobicContact CG1-CD2 4.03Å; F101-L353 HydrophobicContact CZ-CD1 4.36Å; F343-L353 HydrophobicContact CZ-CD2 3.71Å; L347-L353 HydrophobicContact CD2-CD2 3.85Å; S351-L353 PolarHBondContact O-N 3.42Å; L353-Q355 VanDerWaalsContact C-N 3.29Å; L353-Q355 PolarHBondContact O-N 2.88Å; L353-N357 HydrophobicContact CD1-CB 4.47Å; L353-N357 WeakPolarHBondContact O-CB 3.48Å; L353-N357 PolarHBondContact O-N 2.79Å; L353-L360 HydrophobicContact CG-CD2 4.42Å
354	C	75.9	Confident	82.6	Confident	10 Å²	10	54.7 Å²	54.7	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-33.8	176	-71.3	0	0	0	0	111.9	D348 S351	D348-C354 PolarHBondContact O-SG 3.03Å; S351-C354 WeakPolarHBondContact O-CB 3.49Å; S351-C354 PolarHBondContact O-N 3.01Å; S351-C354 PolarHBondContact OG-N 2.98Å; S351-C354 PolarHBondContact OG-SG 2.83Å
355	Q	74.3	Confident	82	Confident	131 Å²	131	61 Å²	61	61%	0.612	31%	0.309	S	S	*	.	H	α-helix	trans	-76.9	-40.1	178.5	-61.2	-177	27.6	0	0	112.6	D350 S351 D352 L353	D350-Q355 PolarHBondContact O-NE2 3.2Å; D350-Q355 VanDerWaalsContact O-NE2 3.08Å; S351-Q355 PolarHBondContact O-N 2.75Å; D352-Q355 PolarHBondContact O-N 3.22Å; L353-Q355 VanDerWaalsContact C-N 3.29Å; L353-Q355 PolarHBondContact O-N 2.88Å
356	N	81.6	Confident	81.1	Confident	91 Å²	91	58 Å²	58	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-90.9	0.4	-176.3	-64.6	-41.4	0	0	0	114.1	A29 K30 D352	A29-N356 WeakPolarHBondContact CA-O 3.29Å; K30-N356 PolarHBondContact N-O 2.94Å; D352-N356 VanDerWaalsContact O-CB 3.23Å; D352-N356 WeakPolarHBondContact O-CB 3.05Å; D352-N356 VanDerWaalsContact O-CG 3.28Å; D352-N356 PolarHBondContact O-N 2.03Å; D352-N356 PolarHBondContact O-ND2 2.8Å
357	N	87.5	Confident	80.2	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.285	C	S	.	.			trans	-119.8	93.1	176.2	-171.6	-22	0	0	0	110.9	A29 L353 F359 L360 S361	A29-N357 HydrophobicContact CB-CB 3.94Å; L353-N357 HydrophobicContact CD1-CB 4.47Å; L353-N357 WeakPolarHBondContact O-CB 3.48Å; L353-N357 PolarHBondContact O-N 2.79Å; N357-F359 PolarHBondContact O-N 2.99Å; N357-F359 WeakPolarHBondContact OD1-CB 3.49Å; N357-F359 WeakPolarHBondContact OD1-CD2 3.45Å; N357-F359 PolarHBondContact OD1-N 3.3Å; N357-F359 VanDerWaalsContact OD1-N 3.14Å; N357-L360 HydrophobicContact CB-CB 4.05Å; N357-L360 PolarHBondContact O-N 2.72Å; N357-L360 PolarHBondContact OD1-N 2.96Å; N357-L360 VanDerWaalsContact OD1-N 3.14Å; N357-S361 PolarHBondContact O-N 3.23Å
358	P	85.2	Confident	79.2	Confident	34 Å²	34	59.2 Å²	59.2	22%	0.221	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-36.8	178.9	-26.8	35.2	0	0	0	113.3	Q27 E28 S361 D362	Q27-P358 HydrophobicContact CB-CB 4.07Å; Q27-P358 HydrophobicContact CG-CB 3.89Å; E28-P358 VanDerWaalsContact O-CD 3.32Å; E28-P358 WeakPolarHBondContact O-CD 3.36Å; P358-S361 PolarHBondContact O-N 3.42Å; P358-S361 PolarHBondContact O-OG 3.37Å; P358-D362 WeakPolarHBondContact O-CB 3.41Å; P358-D362 PolarHBondContact O-N 3.15Å
359	F	87.8	Confident	78.8	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-43.2	-179.3	-50.6	-69.2	0	0	0	112.4	Q27 A29 I43 L75 I103 D105 N357 F363	Q27-F359 HydrophobicContact CB-CD1 4.25Å; Q27-F359 HydrophobicContact CB-CE1 3.62Å; Q27-F359 HydrophobicContact CB-CZ 3.87Å; Q27-F359 WeakPolarHBondContact O-CZ 3.45Å; A29-F359 HydrophobicContact CB-CD2 4.09Å; A29-F359 HydrophobicContact CB-CE2 4.24Å; I43-F359 HydrophobicContact CD1-CB 4.01Å; I43-F359 HydrophobicContact CD1-CD1 3.75Å; I43-F359 HydrophobicContact CD1-CD2 3.62Å; I43-F359 HydrophobicContact CD1-CE1 4.03Å; I43-F359 HydrophobicContact CD1-CE2 3.92Å; I43-F359 HydrophobicContact CD1-CG 3.52Å; I43-F359 HydrophobicContact CD1-CZ 4.1Å; I43-F359 HydrophobicContact CG2-CD1 4.41Å; L75-F359 HydrophobicContact CD1-CB 3.82Å; I103-F359 HydrophobicContact CG2-CE2 4.41Å; D105-F359 HydrophobicContact CB-CE1 3.95Å; D105-F359 HydrophobicContact CB-CZ 4.04Å; N357-F359 PolarHBondContact O-N 2.99Å; N357-F359 WeakPolarHBondContact OD1-CB 3.49Å; N357-F359 WeakPolarHBondContact OD1-CD2 3.45Å; N357-F359 PolarHBondContact OD1-N 3.3Å; N357-F359 VanDerWaalsContact OD1-N 3.14Å; F359-F363 PolarHBondContact O-N 2.98Å; F359-F363 VanDerWaalsContact O-N 3.11Å
360	L	87.8	Confident	79.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-43.1	174	177.5	57.6	0	0	0	110.5	L75 L79 L353 N357 D362 F363 L364 L379	L75-L360 HydrophobicContact CD2-CD1 4.46Å; L79-L360 HydrophobicContact CD1-CD1 4.24Å; L79-L360 HydrophobicContact CD2-CD2 4.35Å; L353-L360 HydrophobicContact CG-CD2 4.42Å; N357-L360 HydrophobicContact CB-CB 4.05Å; N357-L360 PolarHBondContact O-N 2.72Å; N357-L360 PolarHBondContact OD1-N 2.96Å; N357-L360 VanDerWaalsContact OD1-N 3.14Å; L360-D362 VanDerWaalsContact C-N 3.29Å; L360-D362 PolarHBondContact O-N 3.4Å; L360-F363 HydrophobicContact CD1-CD1 4.45Å; L360-F363 PolarHBondContact O-N 3.5Å; L360-L364 HydrophobicContact CD1-CD1 4.16Å; L360-L364 HydrophobicContact CD1-CG 4.16Å; L360-L364 HydrophobicContact CG-CD1 4.08Å; L360-L364 HydrophobicContact CG-CG 4.5Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 2.76Å; L360-L379 HydrophobicContact CD1-CD1 4.11Å
361	S	84.3	Confident	79.9	Confident	24 Å²	24	57.2 Å²	57.2	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-38.2	179.2	90.1	0	0	0	0	112.4	N357 P358 L364 K365	N357-S361 PolarHBondContact O-N 3.23Å; P358-S361 PolarHBondContact O-N 3.42Å; P358-S361 PolarHBondContact O-OG 3.37Å; S361-L364 PolarHBondContact O-N 2.97Å; S361-K365 WeakPolarHBondContact O-CD 3.45Å; S361-K365 VanDerWaalsContact O-CG 3.26Å; S361-K365 WeakPolarHBondContact O-CG 3.4Å; S361-K365 PolarHBondContact O-N 2.71Å; S361-K365 VanDerWaalsContact O-N 3.12Å
362	D	81.6	Confident	80.3	Confident	31 Å²	31	57.9 Å²	57.9	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-72.5	-42.2	179.4	-78.6	2.6	0	0	0	111.6	Q27 P358 L360 L364 K365 R366	Q27-D362 PolarHBondContact NE2-OD2 3.43Å; P358-D362 WeakPolarHBondContact O-CB 3.41Å; P358-D362 PolarHBondContact O-N 3.15Å; L360-D362 VanDerWaalsContact C-N 3.29Å; L360-D362 PolarHBondContact O-N 3.4Å; D362-L364 VanDerWaalsContact C-N 3.3Å; D362-L364 PolarHBondContact O-N 2.03Å; D362-K365 PolarHBondContact O-N 2.69Å; D362-K365 VanDerWaalsContact O-N 3.07Å; D362-R366 PolarHBondContact O-N 2.85Å
363	F	85.8	Confident	80.8	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-46.7	171.5	170.2	-103.8	0	0	0	111.3	F70 V72 L75 F359 L360 K365 R366 K375 E378 L379	F70-F363 HydrophobicContact CE1-CB 4.16Å; F70-F363 AromaticContact CE1-CD2 3.89Å; F70-F363 HydrophobicContact CE1-CD2 3.89Å; F70-F363 HydrophobicContact CE1-CG 4.4Å; F70-F363 HydrophobicContact CZ-CB 3.87Å; F70-F363 HydrophobicContact CZ-CD2 4.45Å; V72-F363 HydrophobicContact CB-CE2 4.45Å; V72-F363 HydrophobicContact CG1-CE2 3.93Å; V72-F363 HydrophobicContact CG1-CZ 4.16Å; V72-F363 HydrophobicContact CG2-CD2 4.2Å; V72-F363 HydrophobicContact CG2-CE2 3.71Å; L75-F363 HydrophobicContact CD2-CB 3.58Å; L75-F363 HydrophobicContact CD2-CD1 4.09Å; L75-F363 HydrophobicContact CD2-CD2 4.44Å; L75-F363 HydrophobicContact CD2-CG 3.77Å; F359-F363 PolarHBondContact O-N 2.98Å; F359-F363 VanDerWaalsContact O-N 3.11Å; L360-F363 HydrophobicContact CD1-CD1 4.45Å; L360-F363 PolarHBondContact O-N 3.5Å; F363-K365 PolarHBondContact O-N 3.07Å; F363-R366 WeakPolarHBondContact O-CB 3.4Å; F363-R366 PolarHBondContact O-N 3.4Å; F363-K375 HydrophobicContact CE1-CB 3.89Å; F363-K375 HydrophobicContact CZ-CB 4.19Å; F363-E378 HydrophobicContact CZ-CB 4.44Å; F363-L379 HydrophobicContact CD1-CD1 3.82Å; F363-L379 HydrophobicContact CD1-CD2 4.48Å; F363-L379 HydrophobicContact CD1-CG 4.17Å; F363-L379 HydrophobicContact CE1-CD1 3.43Å; F363-L379 VanDerWaalsContact CE1-CD1 3.43Å; F363-L379 HydrophobicContact CE1-CD2 4.18Å; F363-L379 HydrophobicContact CE1-CG 3.5Å; F363-L379 HydrophobicContact CZ-CD1 4.29Å; F363-L379 HydrophobicContact CZ-CD2 4.4Å; F363-L379 HydrophobicContact CZ-CG 3.85Å
364	L	83.6	Confident	81.1	Confident	23 Å²	23	58.7 Å²	58.7	12%	0.12	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-27.8	177.8	-68.7	173.2	0	0	0	112.4	L360 S361 D362 F372 K375	L360-L364 HydrophobicContact CD1-CD1 4.16Å; L360-L364 HydrophobicContact CD1-CG 4.16Å; L360-L364 HydrophobicContact CG-CD1 4.08Å; L360-L364 HydrophobicContact CG-CG 4.5Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 2.76Å; S361-L364 PolarHBondContact O-N 2.97Å; D362-L364 VanDerWaalsContact C-N 3.3Å; D362-L364 PolarHBondContact O-N 2.03Å; L364-F372 HydrophobicContact CD1-CD2 4.48Å; L364-F372 HydrophobicContact CD1-CE2 3.88Å; L364-F372 HydrophobicContact CD2-CD2 3.91Å; L364-F372 HydrophobicContact CD2-CE2 3.83Å; L364-K375 HydrophobicContact CD2-CB 4.16Å; L364-K375 HydrophobicContact CD2-CD 4.16Å; L364-K375 WeakPolarHBondContact O-CE 3.25Å; L364-K375 PolarHBondContact O-NZ 3.23Å
365	K	80.1	Confident	81.7	Confident	133 Å²	133	59 Å²	59	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-85.4	-20.1	177.9	-71.2	165	-170.9	160.9	0	114.5	S361 D362 F363 S367	S361-K365 WeakPolarHBondContact O-CD 3.45Å; S361-K365 VanDerWaalsContact O-CG 3.26Å; S361-K365 WeakPolarHBondContact O-CG 3.4Å; S361-K365 PolarHBondContact O-N 2.71Å; S361-K365 VanDerWaalsContact O-N 3.12Å; D362-K365 PolarHBondContact O-N 2.69Å; D362-K365 VanDerWaalsContact O-N 3.07Å; F363-K365 PolarHBondContact O-N 3.07Å; K365-S367 VanDerWaalsContact C-N 3.29Å; K365-S367 PolarHBondContact O-N 3.09Å
366	R	72.4	Confident	82.4	Confident	50 Å²	50	52.9 Å²	52.9	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-32.5	-171.2	-165.6	175	179.8	-179.9	2.5	114.5	D65 F70 D362 F363 P368	D65-R366 IonicContact OD1-CZ 2.76Å; D65-R366 VanDerWaalsContact OD1-CZ 3.28Å; D65-R366 IonicContact OD1-NE 3.19Å; D65-R366 IonicContact OD1-NH2 3.97Å; D65-R366 PolarHBondContact OD1-NH2 2.81Å; F70-R366 VanDerWaalsContact CB-NH1 3.33Å; F70-R366 VanDerWaalsContact CD1-NH1 3.31Å; D362-R366 PolarHBondContact O-N 2.85Å; F363-R366 WeakPolarHBondContact O-CB 3.4Å; F363-R366 PolarHBondContact O-N 3.4Å; R366-P368 WeakPolarHBondContact O-CD 3.41Å
367	S	69.9	Low	82.8	Confident	59 Å²	59	51.3 Å²	51.3	41%	0.413	28%	0.276	S	S	.	.			trans	-122.9	79.6	179.7	-68.3	0	0	0	0	111.1	K365 K369 A370 K375	K365-S367 VanDerWaalsContact C-N 3.29Å; K365-S367 PolarHBondContact O-N 3.09Å; S367-K369 PolarHBondContact O-N 3.34Å; S367-K369 VanDerWaalsContact O-N 3.09Å; S367-A370 PolarHBondContact O-N 2.88Å; S367-K375 WeakPolarHBondContact O-CE 3.06Å; S367-K375 PolarHBondContact O-NZ 2.98Å
368	P	65.9	Low	82.9	Confident	110 Å²	110	55.1 Å²	55.1	71%	0.714	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.8	-172.9	22.6	-31.6	0	0	0	113.7	R366	R366-P368 WeakPolarHBondContact O-CD 3.41Å
369	K	73.1	Confident	83	Confident	209 Å²	209	53.5 Å²	53.5	91%	0.909	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.7	176.1	-65	-179.2	-178.8	173.3	0	114.2	S367	S367-K369 PolarHBondContact O-N 3.34Å; S367-K369 VanDerWaalsContact O-N 3.09Å
370	A	80.8	Confident	83.1	Confident	36 Å²	36	53.4 Å²	53.4	30%	0.298	28%	0.283	S	S	.	.	S	Bend	trans	-91.5	139	-179.1	0	0	0	0	0	111	S367 K375	S367-A370 PolarHBondContact O-N 2.88Å; A370-K375 HydrophobicContact CB-CG 4.41Å; A370-K375 WeakPolarHBondContact O-CE 3.48Å; A370-K375 PolarHBondContact O-NZ 3.34Å
371	S	86.4	Confident	83.1	Confident	75 Å²	75	58.5 Å²	58.5	52%	0.524	31%	0.31	S	S	.	.			trans	-65	152.2	178	67	0	0	0	0	111.6	Q373 S374 K375	S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 3.34Å; S371-S374 WeakPolarHBondContact O-CB 3.18Å; S371-S374 PolarHBondContact O-N 2.81Å; S371-S374 VanDerWaalsContact O-N 3.09Å; S371-S374 WeakPolarHBondContact OG-CB 3.34Å; S371-S374 PolarHBondContact OG-N 3.35Å; S371-K375 PolarHBondContact O-N 3.37Å
372	F	86.5	Confident	83.1	Confident	44 Å²	44	58.8 Å²	58.8	19%	0.193	31%	0.309	C	S	.	.	H	α-helix	trans	-51.5	-48.9	175.7	179.4	-98.8	0	0	0	111.6	L347 E349 L364 S374 K375 I376	L347-F372 HydrophobicContact CB-CZ 4.36Å; L347-F372 VanDerWaalsContact O-CE1 3.31Å; L347-F372 WeakPolarHBondContact O-CE1 3.3Å; E349-F372 HydrophobicContact CB-CD2 4.21Å; E349-F372 HydrophobicContact CB-CE2 4.1Å; E349-F372 HydrophobicContact CB-CZ 4.48Å; E349-F372 HydrophobicContact CG-CD2 4.21Å; E349-F372 HydrophobicContact CG-CE2 4.34Å; L364-F372 HydrophobicContact CD1-CD2 4.48Å; L364-F372 HydrophobicContact CD1-CE2 3.88Å; L364-F372 HydrophobicContact CD2-CD2 3.91Å; L364-F372 HydrophobicContact CD2-CE2 3.83Å; F372-S374 VanDerWaalsContact C-N 3.28Å; F372-S374 PolarHBondContact O-N 2.86Å; F372-K375 PolarHBondContact O-N 3.29Å; F372-K375 VanDerWaalsContact O-N 3.09Å; F372-I376 HydrophobicContact CD1-CG1 4.1Å; F372-I376 HydrophobicContact CE1-CD1 4.25Å; F372-I376 HydrophobicContact CE1-CG1 3.72Å; F372-I376 HydrophobicContact CE2-CD1 4.37Å; F372-I376 HydrophobicContact CE2-CG1 4.42Å; F372-I376 HydrophobicContact CZ-CD1 3.93Å; F372-I376 HydrophobicContact CZ-CG1 3.9Å; F372-I376 WeakPolarHBondContact O-CG1 3.44Å; F372-I376 PolarHBondContact O-N 2.96Å
373	Q	85.9	Confident	83.5	Confident	97 Å²	97	57.6 Å²	57.6	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-36.7	179	-169.2	61.2	37	0	0	113.4	S371 K375 I376 E377	S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 3.34Å; Q373-K375 VanDerWaalsContact C-N 3.35Å; Q373-I376 PolarHBondContact O-N 2.87Å; Q373-E377 PolarHBondContact O-N 2.96Å
374	S	87.8	Confident	83.7	Confident	64 Å²	64	58.5 Å²	58.5	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-37.3	178.6	-172.9	0	0	0	0	112	S371 F372 E377 E378	S371-S374 WeakPolarHBondContact O-CB 3.18Å; S371-S374 PolarHBondContact O-N 2.81Å; S371-S374 VanDerWaalsContact O-N 3.09Å; S371-S374 WeakPolarHBondContact OG-CB 3.34Å; S371-S374 PolarHBondContact OG-N 3.35Å; F372-S374 VanDerWaalsContact C-N 3.28Å; F372-S374 PolarHBondContact O-N 2.86Å; S374-E377 PolarHBondContact O-N 3.4Å; S374-E378 PolarHBondContact O-N 3.49Å
375	K	87.7	Confident	84.1	Confident	17 Å²	17	58.7 Å²	58.7	7%	0.074	31%	0.309	C	S	.	.	H	α-helix	trans	-71.1	-37.5	177.5	-64.7	173.4	-176.2	156.6	0	111.6	F363 L364 S367 A370 S371 F372 Q373 E377 E378 L379	F363-K375 HydrophobicContact CE1-CB 3.89Å; F363-K375 HydrophobicContact CZ-CB 4.19Å; L364-K375 HydrophobicContact CD2-CB 4.16Å; L364-K375 HydrophobicContact CD2-CD 4.16Å; L364-K375 WeakPolarHBondContact O-CE 3.25Å; L364-K375 PolarHBondContact O-NZ 3.23Å; S367-K375 WeakPolarHBondContact O-CE 3.06Å; S367-K375 PolarHBondContact O-NZ 2.98Å; A370-K375 HydrophobicContact CB-CG 4.41Å; A370-K375 WeakPolarHBondContact O-CE 3.48Å; A370-K375 PolarHBondContact O-NZ 3.34Å; S371-K375 PolarHBondContact O-N 3.37Å; F372-K375 PolarHBondContact O-N 3.29Å; F372-K375 VanDerWaalsContact O-N 3.09Å; Q373-K375 VanDerWaalsContact C-N 3.35Å; K375-E377 VanDerWaalsContact C-N 3.33Å; K375-E378 WeakPolarHBondContact O-CB 2.98Å; K375-E378 PolarHBondContact O-N 2.94Å; K375-L379 PolarHBondContact O-N 3.02Å; K375-L379 VanDerWaalsContact O-N 3.08Å
376	I	89.8	Confident	84.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-41.5	172.6	-66.7	-57.3	0	0	0	111	L344 R345 L347 F372 Q373 E378 L379 A380	L344-I376 HydrophobicContact CB-CG2 4.09Å; L344-I376 VanDerWaalsContact O-CG2 3.22Å; L344-I376 WeakPolarHBondContact O-CG2 3.14Å; R345-I376 HydrophobicContact CG-CG2 4.3Å; L347-I376 HydrophobicContact CB-CD1 4.46Å; L347-I376 HydrophobicContact CD1-CD1 4.13Å; F372-I376 HydrophobicContact CD1-CG1 4.1Å; F372-I376 HydrophobicContact CE1-CD1 4.25Å; F372-I376 HydrophobicContact CE1-CG1 3.72Å; F372-I376 HydrophobicContact CE2-CD1 4.37Å; F372-I376 HydrophobicContact CE2-CG1 4.42Å; F372-I376 HydrophobicContact CZ-CD1 3.93Å; F372-I376 HydrophobicContact CZ-CG1 3.9Å; F372-I376 WeakPolarHBondContact O-CG1 3.44Å; F372-I376 PolarHBondContact O-N 2.96Å; Q373-I376 PolarHBondContact O-N 2.87Å; I376-E378 VanDerWaalsContact C-N 3.32Å; I376-E378 PolarHBondContact O-N 2.78Å; I376-L379 HydrophobicContact CD1-CD1 4.41Å; I376-L379 PolarHBondContact O-N 2.77Å; I376-A380 WeakPolarHBondContact O-CB 3.24Å; I376-A380 PolarHBondContact O-N 3.44Å
377	E	89.9	Confident	85.7	Confident	59 Å²	59	50.4 Å²	50.4	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-68.2	-32.6	176.7	-160.6	63.1	-152.7	0	0	111.9	R345 Q373 S374 K375 A380 N381	R345-E377 IonicContact CZ-OE1 2.64Å; R345-E377 IonicContact CZ-OE2 3.82Å; R345-E377 IonicContact NE-OE2 3.23Å; R345-E377 PolarHBondContact NE-OE2 3.33Å; R345-E377 VanDerWaalsContact NE-OE2 3.13Å; R345-E377 IonicContact NH2-OE1 3.8Å; R345-E377 PolarHBondContact NH2-OE1 2.82Å; R345-E377 IonicContact NH2-OE2 2.78Å; R345-E377 PolarHBondContact NH2-OE2 2.77Å; Q373-E377 PolarHBondContact O-N 2.96Å; S374-E377 PolarHBondContact O-N 3.4Å; K375-E377 VanDerWaalsContact C-N 3.33Å; E377-A380 PolarHBondContact O-N 3.45Å; E377-N381 WeakPolarHBondContact O-CB 2.82Å; E377-N381 PolarHBondContact O-N 3.35Å; E377-N381 PolarHBondContact O-ND2 3.31Å
378	E	87.9	Confident	86.9	Confident	81 Å²	81	48 Å²	48	38%	0.379	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-48.9	170.2	-169.9	-174	158.8	0	0	111.7	V72 F363 S374 K375 I376 A380 N381 M382	V72-E378 HydrophobicContact CG1-CG 4.37Å; F363-E378 HydrophobicContact CZ-CB 4.44Å; S374-E378 PolarHBondContact O-N 3.49Å; K375-E378 WeakPolarHBondContact O-CB 2.98Å; K375-E378 PolarHBondContact O-N 2.94Å; I376-E378 VanDerWaalsContact C-N 3.32Å; I376-E378 PolarHBondContact O-N 2.78Å; E378-A380 VanDerWaalsContact C-N 3.34Å; E378-A380 PolarHBondContact O-N 2.83Å; E378-N381 PolarHBondContact O-N 3.4Å; E378-M382 WeakPolarHBondContact O-CG 3.1Å; E378-M382 PolarHBondContact O-N 2.04Å
379	L	88.5	Confident	88.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-43.3	173.5	-78.1	165.6	0	0	0	112.2	V72 L75 A76 L79 L344 L360 F363 K375 I376 N381 M382 S383	V72-L379 HydrophobicContact CG1-CD2 3.69Å; V72-L379 HydrophobicContact CG1-CG 4.2Å; L75-L379 HydrophobicContact CD2-CD2 3.9Å; L75-L379 HydrophobicContact CG-CD2 4.18Å; A76-L379 HydrophobicContact CB-CD2 4.24Å; L79-L379 HydrophobicContact CD1-CD1 4.41Å; L344-L379 HydrophobicContact CD1-CB 3.97Å; L360-L379 HydrophobicContact CD1-CD1 4.11Å; F363-L379 HydrophobicContact CD1-CD1 3.82Å; F363-L379 HydrophobicContact CD1-CD2 4.48Å; F363-L379 HydrophobicContact CD1-CG 4.17Å; F363-L379 HydrophobicContact CE1-CD1 3.43Å; F363-L379 VanDerWaalsContact CE1-CD1 3.43Å; F363-L379 HydrophobicContact CE1-CD2 4.18Å; F363-L379 HydrophobicContact CE1-CG 3.5Å; F363-L379 HydrophobicContact CZ-CD1 4.29Å; F363-L379 HydrophobicContact CZ-CD2 4.4Å; F363-L379 HydrophobicContact CZ-CG 3.85Å; K375-L379 PolarHBondContact O-N 3.02Å; K375-L379 VanDerWaalsContact O-N 3.08Å; I376-L379 HydrophobicContact CD1-CD1 4.41Å; I376-L379 PolarHBondContact O-N 2.77Å; L379-N381 VanDerWaalsContact C-N 3.29Å; L379-N381 PolarHBondContact O-N 3.33Å; L379-M382 CarbonylContact O-C 3.57Å; L379-M382 PolarHBondContact O-N 2.85Å; L379-S383 PolarHBondContact O-N 3.04Å; L379-S383 PolarHBondContact O-OG 2.78Å
380	A	89.9	Confident	89.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-33.1	179.2	0	0	0	0	0	112.4	K341 L344 I376 E377 E378 S383	K341-A380 WeakPolarHBondContact CE-O 3.3Å; K341-A380 HydrophobicContact CG-CB 4.16Å; K341-A380 PolarHBondContact NZ-O 3.39Å; L344-A380 HydrophobicContact CD1-CB 4.23Å; I376-A380 WeakPolarHBondContact O-CB 3.24Å; I376-A380 PolarHBondContact O-N 3.44Å; E377-A380 PolarHBondContact O-N 3.45Å; E378-A380 VanDerWaalsContact C-N 3.34Å; E378-A380 PolarHBondContact O-N 2.83Å; A380-S383 WeakPolarHBondContact O-CB 2.99Å; A380-S383 PolarHBondContact O-OG 3.48Å
381	N	86.7	Confident	90.2	Very high	108 Å²	108	31.4 Å²	31.4	58%	0.578	17%	0.168	S	C	*	.	H	α-helix	trans	-74.7	-33.8	175.7	-72.8	-26.7	0	0	0	112.3	E377 E378 L379 S383	E377-N381 WeakPolarHBondContact O-CB 2.82Å; E377-N381 PolarHBondContact O-N 3.35Å; E377-N381 PolarHBondContact O-ND2 3.31Å; E378-N381 PolarHBondContact O-N 3.4Å; L379-N381 VanDerWaalsContact C-N 3.29Å; L379-N381 PolarHBondContact O-N 3.33Å; N381-S383 PolarHBondContact O-N 2.68Å
382	M	85.9	Confident	90.7	Very high	30 Å²	30	29 Å²	29	15%	0.148	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	14.1	176.1	-61.7	-59.4	-112.8	0	0	113.7	V72 A73 A311 D312 E378 L379 Y384	V72-M382 HydrophobicContact CB-CB 4.41Å; V72-M382 HydrophobicContact CB-CG 4.19Å; V72-M382 HydrophobicContact CG1-CB 4.03Å; V72-M382 HydrophobicContact CG1-CG 3.97Å; A73-M382 HydrophobicContact CB-CB 4.24Å; A311-M382 HydrophobicContact CB-SD 4.27Å; D312-M382 VanDerWaalsContact OD2-CE 3.26Å; D312-M382 WeakPolarHBondContact OD2-CE 3.04Å; E378-M382 WeakPolarHBondContact O-CG 3.1Å; E378-M382 PolarHBondContact O-N 2.04Å; L379-M382 CarbonylContact O-C 3.57Å; L379-M382 PolarHBondContact O-N 2.85Å; M382-Y384 PolarHBondContact O-N 3.17Å
383	S	90	Very high	91.2	Very high	5 Å²	5	27 Å²	27	4%	0.035	14%	0.14	C	C	.	.			trans	-86.3	97	179.5	-63.8	0	0	0	0	111.4	F340 L379 A380 N381 P385	F340-S383 VanDerWaalsContact CE1-OG 3.3Å; F340-S383 WeakPolarHBondContact CE1-OG 3.01Å; L379-S383 PolarHBondContact O-N 3.04Å; L379-S383 PolarHBondContact O-OG 2.78Å; A380-S383 WeakPolarHBondContact O-CB 2.99Å; A380-S383 PolarHBondContact O-OG 3.48Å; N381-S383 PolarHBondContact O-N 2.68Å; S383-P385 WeakPolarHBondContact O-CD 3.06Å
384	Y	89.6	Confident	91.7	Very high	28 Å²	28	22.3 Å²	22.3	11%	0.11	12%	0.118	C	C	.	.			trans	-72.6	126.7	-179.7	-62	-39.9	0	0	0	113.1	A73 Q309 A310 A311 M382 Y386 A387 A388	A73-Y384 HydrophobicContact CB-CD2 4.23Å; A73-Y384 HydrophobicContact CB-CE2 3.59Å; Q309-Y384 HydrophobicContact CB-CD1 4.32Å; Q309-Y384 WeakPolarHBondContact O-CE1 3.39Å; A310-Y384 WeakPolarHBondContact CA-OH 3.44Å; A311-Y384 PolarHBondContact N-OH 2.74Å; M382-Y384 PolarHBondContact O-N 3.17Å; Y384-Y386 VanDerWaalsContact C-N 3.31Å; Y384-Y386 VanDerWaalsContact CB-CE1 3.47Å; Y384-Y386 AromaticContact CD2-CE1 3.76Å; Y384-Y386 HydrophobicContact CD2-CE1 3.76Å; Y384-Y386 HydrophobicContact CG-CD1 4.47Å; Y384-Y386 AromaticContact CG-CE1 3.8Å; Y384-Y386 HydrophobicContact CG-CE1 3.8Å; Y384-Y386 PolarHBondContact O-N 2.85Å; Y384-A387 PolarHBondContact O-N 3.29Å; Y384-A388 PolarHBondContact O-N 3.1Å
385	P	91.9	Very high	92.2	Very high	27 Å²	27	19.3 Å²	19.3	18%	0.175	10%	0.097	C	C	.	.	H	α-helix	trans	-57.6	-35.6	179.7	-29.3	36.6	0	0	0	115.2	G335 T337 S383 A387 F389	G335-P385 PolarHBondContact N-O 3.2Å; T337-P385 HydrophobicContact CG2-CB 4.19Å; T337-P385 HydrophobicContact CG2-CG 4.11Å; S383-P385 WeakPolarHBondContact O-CD 3.06Å; P385-A387 VanDerWaalsContact C-N 3.32Å; P385-A387 PolarHBondContact O-N 2.93Å; P385-F389 PolarHBondContact O-N 3.24Å
386	Y	92.5	Very high	92.6	Very high	8 Å²	8	20.2 Å²	20.2	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-37.7	179.4	77.1	-98.1	0	0	0	112.4	Q77 Y147 L332 K333 Y384 F389 S390	Q77-Y386 PolarHBondContact NE2-OH 3.09Å; Y147-Y386 AromaticContact CE2-CE2 3.95Å; Y147-Y386 HydrophobicContact CE2-CE2 3.95Å; L332-Y386 HydrophobicContact CB-CD2 4.29Å; L332-Y386 HydrophobicContact CB-CG 4.3Å; L332-Y386 HydrophobicContact CD1-CD2 3.96Å; L332-Y386 HydrophobicContact CD1-CE2 4.48Å; K333-Y386 WeakPolarHBondContact O-CA 3.36Å; Y384-Y386 VanDerWaalsContact C-N 3.31Å; Y384-Y386 VanDerWaalsContact CB-CE1 3.47Å; Y384-Y386 AromaticContact CD2-CE1 3.76Å; Y384-Y386 HydrophobicContact CD2-CE1 3.76Å; Y384-Y386 HydrophobicContact CG-CD1 4.47Å; Y384-Y386 AromaticContact CG-CE1 3.8Å; Y384-Y386 HydrophobicContact CG-CE1 3.8Å; Y384-Y386 PolarHBondContact O-N 2.85Å; Y386-F389 PolarHBondContact O-N 3.47Å; Y386-S390 PolarHBondContact O-N 2.84Å; Y386-S390 PolarHBondContact O-OG 3.35Å
387	A	94.1	Very high	93	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-74	-37.3	-176.9	0	0	0	0	0	110.9	Q77 M80 Y384 P385 F389 S390 I391	Q77-A387 HydrophobicContact CG-CB 3.73Å; M80-A387 HydrophobicContact SD-CB 4.1Å; Y384-A387 PolarHBondContact O-N 3.29Å; P385-A387 VanDerWaalsContact C-N 3.32Å; P385-A387 PolarHBondContact O-N 2.93Å; A387-F389 VanDerWaalsContact C-N 3.27Å; A387-F389 PolarHBondContact O-N 2.67Å; A387-S390 PolarHBondContact O-N 2.57Å; A387-I391 HydrophobicContact CB-CD1 4.21Å; A387-I391 VanDerWaalsContact O-CB 3.24Å; A387-I391 WeakPolarHBondContact O-CB 3.42Å; A387-I391 WeakPolarHBondContact O-CD1 3.3Å; A387-I391 VanDerWaalsContact O-CG1 3.23Å; A387-I391 WeakPolarHBondContact O-CG1 3.2Å; A387-I391 PolarHBondContact O-N 3.44Å
388	A	94.4	Very high	93.3	Very high	8 Å²	8	17.4 Å²	17.4	7%	0.066	9%	0.087	C	C	.	.	H	α-helix	trans	-56.2	-46.3	172.8	0	0	0	0	0	110.7	M80 T337 Y384 E392	M80-A388 HydrophobicContact CE-CB 4.19Å; M80-A388 VanDerWaalsContact SD-CA 3.58Å; M80-A388 HydrophobicContact SD-CB 3.94Å; M80-A388 PolarHBondContact SD-N 3.22Å; M80-A388 VanDerWaalsContact SD-N 3.42Å; T337-A388 HydrophobicContact CG2-CB 4.03Å; Y384-A388 PolarHBondContact O-N 3.1Å; A388-E392 WeakPolarHBondContact O-CB 3.5Å; A388-E392 PolarHBondContact O-N 3.42Å; A388-E392 VanDerWaalsContact O-N 3.07Å
389	F	94.9	Very high	93.8	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-54.9	176.4	-177.7	-94.3	0	0	0	112.5	K333 P385 Y386 A387 I391 L393 M432 Y437	K333-F389 HydrophobicContact CB-CD1 3.91Å; K333-F389 HydrophobicContact CB-CE1 3.87Å; K333-F389 HydrophobicContact CB-CZ 4.44Å; K333-F389 HydrophobicContact CG-CD1 4.1Å; K333-F389 HydrophobicContact CG-CD2 4.41Å; K333-F389 HydrophobicContact CG-CE1 3.88Å; K333-F389 HydrophobicContact CG-CE2 4.21Å; K333-F389 HydrophobicContact CG-CG 4.37Å; K333-F389 HydrophobicContact CG-CZ 3.95Å; K333-F389 WeakPolarHBondContact O-CB 3.42Å; K333-F389 WeakPolarHBondContact O-CD1 3.42Å; K333-F389 WeakPolarHBondContact O-CG 2.7Å; P385-F389 PolarHBondContact O-N 3.24Å; Y386-F389 PolarHBondContact O-N 3.47Å; A387-F389 VanDerWaalsContact C-N 3.27Å; A387-F389 PolarHBondContact O-N 2.67Å; F389-I391 PolarHBondContact O-N 3.02Å; F389-L393 HydrophobicContact CE1-CD2 3.91Å; F389-L393 HydrophobicContact CZ-CD2 4.07Å; F389-L393 WeakPolarHBondContact O-CB 3.45Å; F389-L393 PolarHBondContact O-N 3.25Å; F389-M432 HydrophobicContact CD2-CE 4.03Å; F389-M432 HydrophobicContact CD2-SD 4.09Å; F389-M432 HydrophobicContact CE2-SD 4.16Å; F389-Y437 WeakPolarHBondContact CE2-OH 2.94Å; F389-Y437 AromaticContact CZ-CE1 3.85Å; F389-Y437 HydrophobicContact CZ-CE1 3.85Å; F389-Y437 AromaticContact CZ-CZ 3.67Å; F389-Y437 WeakPolarHBondContact CZ-OH 3.42Å
390	S	96.5	Very high	94.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-68.8	-35.6	-172.5	62.6	0	0	0	0	113.3	Y169 T188 Y386 A387 A394	Y169-S390 WeakPolarHBondContact O-CB 3.32Å; Y169-S390 PolarHBondContact O-OG 2.97Å; T188-S390 WeakPolarHBondContact CB-O 3.4Å; T188-S390 PolarHBondContact OG1-O 3.28Å; Y386-S390 PolarHBondContact O-N 2.84Å; Y386-S390 PolarHBondContact O-OG 3.35Å; A387-S390 PolarHBondContact O-N 2.57Å; S390-A394 PolarHBondContact O-N 2.02Å; S390-A394 VanDerWaalsContact O-N 3.14Å
391	I	97.7	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-74.7	-45.9	178.6	-63.9	167.9	0	0	0	110.9	F41 Q77 M80 M81 Y169 A387 F389 L393 A394 V395	F41-I391 HydrophobicContact CE1-CD1 3.95Å; Q77-I391 HydrophobicContact CB-CD1 3.79Å; Q77-I391 HydrophobicContact CG-CD1 4.23Å; Q77-I391 WeakPolarHBondContact O-CD1 3.38Å; M80-I391 HydrophobicContact CB-CD1 4.33Å; M80-I391 HydrophobicContact CB-CG2 4.33Å; M80-I391 HydrophobicContact SD-CD1 4.49Å; M81-I391 HydrophobicContact CB-CG2 3.78Å; Y169-I391 HydrophobicContact CD1-CG1 4.2Å; Y169-I391 HydrophobicContact CD2-CD1 3.88Å; Y169-I391 HydrophobicContact CD2-CG1 3.73Å; Y169-I391 HydrophobicContact CE2-CD1 4.03Å; Y169-I391 HydrophobicContact CE2-CG1 4.37Å; Y169-I391 HydrophobicContact CG-CD1 4.17Å; Y169-I391 HydrophobicContact CG-CG1 3.63Å; A387-I391 HydrophobicContact CB-CD1 4.21Å; A387-I391 VanDerWaalsContact O-CB 3.24Å; A387-I391 WeakPolarHBondContact O-CB 3.42Å; A387-I391 WeakPolarHBondContact O-CD1 3.3Å; A387-I391 VanDerWaalsContact O-CG1 3.23Å; A387-I391 WeakPolarHBondContact O-CG1 3.2Å; A387-I391 PolarHBondContact O-N 3.44Å; F389-I391 PolarHBondContact O-N 3.02Å; I391-L393 PolarHBondContact O-N 2.96Å; I391-A394 WeakPolarHBondContact O-CB 3.46Å; I391-A394 PolarHBondContact O-N 3.46Å; I391-A394 VanDerWaalsContact O-N 3.11Å; I391-V395 PolarHBondContact O-N 2.88Å
392	E	96.4	Very high	94.8	Very high	25 Å²	25	9.9 Å²	9.9	12%	0.117	5%	0.053	C	C	.	.	H	α-helix	trans	-59.8	-41.4	175.8	-174.5	-178.1	155.1	0	0	110.5	A84 A388 A394 V395 R396 M432	A84-E392 HydrophobicContact CB-CB 4.44Å; A84-E392 HydrophobicContact CB-CG 4.3Å; A388-E392 WeakPolarHBondContact O-CB 3.5Å; A388-E392 PolarHBondContact O-N 3.42Å; A388-E392 VanDerWaalsContact O-N 3.07Å; E392-A394 VanDerWaalsContact C-N 3.29Å; E392-A394 PolarHBondContact O-N 3.1Å; E392-V395 PolarHBondContact O-N 3.11Å; E392-R396 HydrophobicContact CG-CG 4.4Å; E392-R396 WeakPolarHBondContact O-CB 3.34Å; E392-R396 WeakPolarHBondContact O-CG 3.27Å; E392-R396 PolarHBondContact O-N 2.03Å; E392-R396 IonicContact OE1-CZ 3.63Å; E392-R396 VanDerWaalsContact OE1-CZ 3.23Å; E392-R396 IonicContact OE1-NE 3.74Å; E392-R396 PolarHBondContact OE1-NE 3.39Å; E392-R396 IonicContact OE1-NH2 3.18Å; E392-R396 PolarHBondContact OE1-NH2 3.2Å; E392-M432 HydrophobicContact CB-CE 4.01Å; E392-M432 HydrophobicContact CB-SD 4.23Å; E392-M432 HydrophobicContact CG-CE 4Å; E392-M432 HydrophobicContact CG-SD 4.14Å; E392-M432 WeakPolarHBondContact OE2-CE 3.4Å
393	L	96.8	Very high	95.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-36.5	177.3	-164.6	66.1	0	0	0	112.3	T188 F389 I391 R396 A397 F430 M432 Y437 V445	T188-L393 HydrophobicContact CG2-CB 4.15Å; T188-L393 HydrophobicContact CG2-CD2 4.26Å; T188-L393 HydrophobicContact CG2-CG 4.16Å; F389-L393 HydrophobicContact CE1-CD2 3.91Å; F389-L393 HydrophobicContact CZ-CD2 4.07Å; F389-L393 WeakPolarHBondContact O-CB 3.45Å; F389-L393 PolarHBondContact O-N 3.25Å; I391-L393 PolarHBondContact O-N 2.96Å; L393-R396 PolarHBondContact O-N 2.69Å; L393-A397 WeakPolarHBondContact O-CB 3.43Å; L393-A397 PolarHBondContact O-N 2.92Å; L393-F430 HydrophobicContact CD1-CD2 3.55Å; L393-F430 HydrophobicContact CD1-CE2 3.49Å; L393-F430 VanDerWaalsContact CD1-CE2 3.49Å; L393-F430 HydrophobicContact CD2-CE2 4.12Å; L393-F430 HydrophobicContact CG-CD2 4.08Å; L393-F430 HydrophobicContact CG-CE2 3.56Å; L393-M432 HydrophobicContact CB-SD 4.4Å; L393-M432 HydrophobicContact CD1-CB 4.06Å; L393-M432 HydrophobicContact CD1-SD 4.25Å; L393-Y437 HydrophobicContact CD1-CD2 3.76Å; L393-Y437 HydrophobicContact CD1-CE2 4.21Å; L393-Y437 HydrophobicContact CD1-CG 3.99Å; L393-Y437 HydrophobicContact CD2-CD1 4.22Å; L393-Y437 HydrophobicContact CD2-CG 4.32Å; L393-V445 HydrophobicContact CD2-CG1 4.06Å
394	A	97.9	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-44.3	177.2	0	0	0	0	0	111.2	I144 I167 T188 S390 I391 E392 A397 I398	I144-A394 HydrophobicContact CD1-CB 4.01Å; I144-A394 HydrophobicContact CG1-CB 4.27Å; I144-A394 HydrophobicContact CG2-CB 4.41Å; I167-A394 HydrophobicContact CB-CB 4.33Å; I167-A394 HydrophobicContact CG2-CB 3.74Å; T188-A394 HydrophobicContact CG2-CB 3.88Å; S390-A394 PolarHBondContact O-N 2.02Å; S390-A394 VanDerWaalsContact O-N 3.14Å; I391-A394 WeakPolarHBondContact O-CB 3.46Å; I391-A394 PolarHBondContact O-N 3.46Å; I391-A394 VanDerWaalsContact O-N 3.11Å; E392-A394 VanDerWaalsContact C-N 3.29Å; E392-A394 PolarHBondContact O-N 3.1Å; A394-A397 PolarHBondContact O-N 3.35Å; A394-I398 WeakPolarHBondContact O-CG1 3.41Å; A394-I398 PolarHBondContact O-N 2.99Å; A394-I398 VanDerWaalsContact O-N 3.08Å
395	V	97.6	Very high	95.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-41.9	175.3	176.3	0	0	0	0	110.9	M81 A84 V85 I88 I144 I391 E392 A397 I398 A399	M81-V395 HydrophobicContact CG-CG2 4.22Å; A84-V395 HydrophobicContact CB-CB 3.9Å; A84-V395 HydrophobicContact CB-CG1 4.01Å; A84-V395 HydrophobicContact CB-CG2 3.9Å; V85-V395 HydrophobicContact CG2-CG1 3.97Å; V85-V395 HydrophobicContact CG2-CG2 4.31Å; I88-V395 HydrophobicContact CG1-CG1 4.18Å; I144-V395 HydrophobicContact CD1-CG2 3.59Å; I391-V395 PolarHBondContact O-N 2.88Å; E392-V395 PolarHBondContact O-N 3.11Å; V395-A397 VanDerWaalsContact C-N 3.34Å; V395-A397 PolarHBondContact O-N 2.8Å; V395-I398 PolarHBondContact O-N 3Å; V395-A399 WeakPolarHBondContact O-CB 3.21Å; V395-A399 PolarHBondContact O-N 2.84Å
396	R	96.6	Very high	95.5	Very high	36 Å²	36	13.6 Å²	13.6	14%	0.136	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-36.3	175.4	-74.3	-177.8	179.6	-72.4	-7.1	112.8	E87 I88 E392 L393 A399 A400 S431	E87-R396 IonicContact OE1-NH2 3.53Å; I88-R396 HydrophobicContact CD1-CG 4.33Å; E392-R396 HydrophobicContact CG-CG 4.4Å; E392-R396 WeakPolarHBondContact O-CB 3.34Å; E392-R396 WeakPolarHBondContact O-CG 3.27Å; E392-R396 PolarHBondContact O-N 2.03Å; E392-R396 IonicContact OE1-CZ 3.63Å; E392-R396 VanDerWaalsContact OE1-CZ 3.23Å; E392-R396 IonicContact OE1-NE 3.74Å; E392-R396 PolarHBondContact OE1-NE 3.39Å; E392-R396 IonicContact OE1-NH2 3.18Å; E392-R396 PolarHBondContact OE1-NH2 3.2Å; L393-R396 PolarHBondContact O-N 2.69Å; R396-A399 PolarHBondContact O-N 3.08Å; R396-A400 VanDerWaalsContact O-CB 3.3Å; R396-A400 WeakPolarHBondContact O-CB 3.37Å; R396-A400 PolarHBondContact O-N 2.88Å; R396-S431 WeakPolarHBondContact CD-O 3.38Å
397	A	97.5	Very high	95.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-43.2	174.8	0	0	0	0	0	111.7	L393 A394 V395 T401 L425 F430 F439	L393-A397 WeakPolarHBondContact O-CB 3.43Å; L393-A397 PolarHBondContact O-N 2.92Å; A394-A397 PolarHBondContact O-N 3.35Å; V395-A397 VanDerWaalsContact C-N 3.34Å; V395-A397 PolarHBondContact O-N 2.8Å; A397-T401 PolarHBondContact O-N 3.24Å; A397-T401 VanDerWaalsContact O-N 3.08Å; A397-T401 PolarHBondContact O-OG1 2.96Å; A397-L425 HydrophobicContact CB-CD1 4.08Å; A397-F430 HydrophobicContact CB-CD1 3.61Å; A397-F430 HydrophobicContact CB-CD2 4.26Å; A397-F430 HydrophobicContact CB-CE1 3.52Å; A397-F430 HydrophobicContact CB-CE2 4.18Å; A397-F430 HydrophobicContact CB-CG 4Å; A397-F430 HydrophobicContact CB-CZ 3.82Å; A397-F439 HydrophobicContact CB-CE2 4.06Å; A397-F439 HydrophobicContact CB-CZ 4.04Å
398	I	97.2	Very high	95.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-50.8	173.4	-67.3	173.6	0	0	0	109.9	I37 A142 I144 I167 A394 V395 A400 T401 V402 F421	I37-I398 HydrophobicContact CD1-CD1 4.16Å; I37-I398 HydrophobicContact CD1-CG2 3.86Å; I37-I398 HydrophobicContact CG1-CD1 4.36Å; I37-I398 HydrophobicContact CG1-CG2 4.21Å; I37-I398 HydrophobicContact CG2-CD1 3.76Å; A142-I398 HydrophobicContact CB-CD1 3.93Å; A142-I398 HydrophobicContact CB-CG1 4.34Å; I144-I398 HydrophobicContact CD1-CD1 3.93Å; I144-I398 HydrophobicContact CG1-CD1 3.94Å; I167-I398 HydrophobicContact CD1-CD1 3.99Å; I167-I398 HydrophobicContact CD1-CG1 3.67Å; A394-I398 WeakPolarHBondContact O-CG1 3.41Å; A394-I398 PolarHBondContact O-N 2.99Å; A394-I398 VanDerWaalsContact O-N 3.08Å; V395-I398 PolarHBondContact O-N 3Å; I398-A400 VanDerWaalsContact C-N 3.34Å; I398-A400 PolarHBondContact O-N 2.97Å; I398-T401 WeakPolarHBondContact O-CB 3.5Å; I398-T401 PolarHBondContact O-N 3.15Å; I398-V402 HydrophobicContact CG2-CG2 4.4Å; I398-V402 WeakPolarHBondContact O-CG2 3.34Å; I398-V402 PolarHBondContact O-N 2.76Å; I398-F421 HydrophobicContact CB-CZ 4.44Å; I398-F421 HydrophobicContact CG2-CE1 4.38Å; I398-F421 HydrophobicContact CG2-CZ 3.86Å
399	A	96.6	Very high	94.8	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.033	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-44	179.7	0	0	0	0	0	112.3	I88 L94 L99 V395 R396 T401 V402 K403	I88-A399 HydrophobicContact CD1-CB 4.09Å; I88-A399 HydrophobicContact CG1-CB 4.19Å; I88-A399 HydrophobicContact CG2-CB 3.8Å; L94-A399 HydrophobicContact CD1-CB 4.45Å; L94-A399 HydrophobicContact CD2-CB 4.32Å; L94-A399 VanDerWaalsContact CD2-O 3.3Å; L94-A399 WeakPolarHBondContact CD2-O 3.32Å; L99-A399 HydrophobicContact CD1-CB 4.22Å; V395-A399 WeakPolarHBondContact O-CB 3.21Å; V395-A399 PolarHBondContact O-N 2.84Å; R396-A399 PolarHBondContact O-N 3.08Å; A399-T401 VanDerWaalsContact C-N 3.29Å; A399-T401 PolarHBondContact O-N 2.84Å; A399-V402 PolarHBondContact O-N 2.71Å; A399-K403 WeakPolarHBondContact O-CB 3.45Å; A399-K403 PolarHBondContact O-N 3.06Å
400	A	96.1	Very high	94.4	Very high	25 Å²	25	34.5 Å²	34.5	21%	0.207	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-36.9	176.1	0	0	0	0	0	112.4	R396 I398 K403 D404 F430	R396-A400 VanDerWaalsContact O-CB 3.3Å; R396-A400 WeakPolarHBondContact O-CB 3.37Å; R396-A400 PolarHBondContact O-N 2.88Å; I398-A400 VanDerWaalsContact C-N 3.34Å; I398-A400 PolarHBondContact O-N 2.97Å; A400-K403 PolarHBondContact O-N 2.81Å; A400-D404 PolarHBondContact O-N 2.97Å; A400-F430 HydrophobicContact CB-CB 3.84Å
401	T	96.1	Very high	93.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-43.1	176.1	-53.3	0	0	0	0	111.3	A397 I398 A399 K403 D404 L405 F421 A424 L425 A428	A397-T401 PolarHBondContact O-N 3.24Å; A397-T401 VanDerWaalsContact O-N 3.08Å; A397-T401 PolarHBondContact O-OG1 2.96Å; I398-T401 WeakPolarHBondContact O-CB 3.5Å; I398-T401 PolarHBondContact O-N 3.15Å; A399-T401 VanDerWaalsContact C-N 3.29Å; A399-T401 PolarHBondContact O-N 2.84Å; T401-K403 VanDerWaalsContact C-N 3.3Å; T401-K403 PolarHBondContact O-N 2.92Å; T401-D404 PolarHBondContact O-N 2.99Å; T401-L405 HydrophobicContact CG2-CD1 4.06Å; T401-L405 HydrophobicContact CG2-CG 4.44Å; T401-L405 WeakPolarHBondContact O-CB 3.27Å; T401-L405 WeakPolarHBondContact O-CG 3.41Å; T401-L405 PolarHBondContact O-N 3.43Å; T401-F421 HydrophobicContact CG2-CD2 3.92Å; T401-F421 HydrophobicContact CG2-CE1 4.3Å; T401-F421 HydrophobicContact CG2-CE2 3.59Å; T401-F421 HydrophobicContact CG2-CG 4.42Å; T401-F421 HydrophobicContact CG2-CZ 3.78Å; T401-A424 HydrophobicContact CG2-CB 3.73Å; T401-L425 HydrophobicContact CG2-CB 4.18Å; T401-L425 VanDerWaalsContact OG1-CD1 3.26Å; T401-L425 WeakPolarHBondContact OG1-CD1 3.22Å; T401-A428 WeakPolarHBondContact OG1-CB 3.47Å
402	V	95	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-42.9	173.9	172.3	0	0	0	0	110.7	I35 L94 I97 L99 I398 A399 C406 V407 F421	I35-V402 HydrophobicContact CD1-CB 4.1Å; I35-V402 HydrophobicContact CD1-CG1 3.55Å; I35-V402 HydrophobicContact CD1-CG2 3.42Å; I35-V402 VanDerWaalsContact CD1-CG2 3.42Å; I35-V402 HydrophobicContact CG2-CG2 4.35Å; L94-V402 HydrophobicContact CD1-CG1 4.36Å; L94-V402 HydrophobicContact CD2-CB 4.36Å; L94-V402 HydrophobicContact CD2-CG1 4.22Å; I97-V402 HydrophobicContact CD1-CG1 4.41Å; I97-V402 HydrophobicContact CG2-CG1 4Å; L99-V402 HydrophobicContact CD2-CG2 4.17Å; I398-V402 HydrophobicContact CG2-CG2 4.4Å; I398-V402 WeakPolarHBondContact O-CG2 3.34Å; I398-V402 PolarHBondContact O-N 2.76Å; A399-V402 PolarHBondContact O-N 2.71Å; V402-C406 HydrophobicContact CG1-CB 4.35Å; V402-C406 WeakPolarHBondContact O-CA 3.48Å; V402-C406 VanDerWaalsContact O-CB 3.22Å; V402-C406 WeakPolarHBondContact O-CB 3.39Å; V402-C406 PolarHBondContact O-N 3.11Å; V402-V407 PolarHBondContact O-N 3.2Å; V402-F421 HydrophobicContact CG2-CE2 3.74Å; V402-F421 HydrophobicContact CG2-CZ 4.1Å
403	K	94.1	Very high	92.6	Very high	80 Å²	80	41.7 Å²	41.7	35%	0.348	21%	0.213	S	C	.	.	I	π-helix	trans	-60.2	-52.5	176.9	-173.2	176.6	180	172.3	0	111.6	L94 A399 A400 T401 L405 V407 D408	L94-K403 HydrophobicContact CD2-CB 4Å; A399-K403 WeakPolarHBondContact O-CB 3.45Å; A399-K403 PolarHBondContact O-N 3.06Å; A400-K403 PolarHBondContact O-N 2.81Å; T401-K403 VanDerWaalsContact C-N 3.3Å; T401-K403 PolarHBondContact O-N 2.92Å; K403-L405 PolarHBondContact O-N 3.34Å; K403-V407 HydrophobicContact CG-CB 4.19Å; K403-V407 HydrophobicContact CG-CG2 4.45Å; K403-V407 WeakPolarHBondContact O-CA 3.49Å; K403-V407 VanDerWaalsContact O-CB 3.3Å; K403-V407 WeakPolarHBondContact O-CB 3.27Å; K403-V407 PolarHBondContact O-N 3.43Å; K403-D408 PolarHBondContact O-N 3.41Å
404	D	93.4	Very high	91.7	Very high	57 Å²	57	46.2 Å²	46.2	31%	0.305	25%	0.245	S	C	.	.	I	π-helix	trans	-60.6	-44.8	-179.9	176.2	70.2	0	0	0	112.2	A400 T401 K409	A400-D404 PolarHBondContact O-N 2.97Å; T401-D404 PolarHBondContact O-N 2.99Å; D404-K409 VanDerWaalsContact CG-NZ 3.31Å; D404-K409 WeakPolarHBondContact O-CB 3.24Å; D404-K409 WeakPolarHBondContact O-CD 3.44Å; D404-K409 VanDerWaalsContact O-CG 3.27Å; D404-K409 WeakPolarHBondContact O-CG 3.41Å; D404-K409 PolarHBondContact O-N 2.88Å; D404-K409 WeakPolarHBondContact OD1-CE 3.23Å; D404-K409 IonicContact OD1-NZ 3.34Å; D404-K409 PolarHBondContact OD1-NZ 3.29Å; D404-K409 IonicContact OD2-NZ 2.78Å; D404-K409 PolarHBondContact OD2-NZ 3.28Å
405	L	93	Very high	90.9	Very high	21 Å²	21	50.1 Å²	50.1	11%	0.11	27%	0.269	C	S	.	.	I	π-helix	trans	-77.7	-46.1	-177.3	-68.2	-177.4	0	0	0	113.2	T401 K403 K409 Q410 C411 L416 F421 A424	T401-L405 HydrophobicContact CG2-CD1 4.06Å; T401-L405 HydrophobicContact CG2-CG 4.44Å; T401-L405 WeakPolarHBondContact O-CB 3.27Å; T401-L405 WeakPolarHBondContact O-CG 3.41Å; T401-L405 PolarHBondContact O-N 3.43Å; K403-L405 PolarHBondContact O-N 3.34Å; L405-K409 CarbonylContact O-C 3.57Å; L405-K409 WeakPolarHBondContact O-CB 3Å; L405-Q410 PolarHBondContact O-N 2.95Å; L405-C411 WeakPolarHBondContact O-CB 3.48Å; L405-C411 PolarHBondContact O-N 2.81Å; L405-L416 HydrophobicContact CD1-CD1 4.27Å; L405-F421 HydrophobicContact CD1-CD2 4.08Å; L405-A424 HydrophobicContact CD1-CB 3.66Å; L405-A424 HydrophobicContact CD2-CB 3.88Å; L405-A424 HydrophobicContact CG-CB 3.92Å
406	C	91.1	Very high	90.3	Very high	11 Å²	11	51 Å²	51	7%	0.074	27%	0.273	C	S	.	.	I	π-helix	trans	-105.4	-29.5	-163.9	-57.4	0	0	0	0	113.7	I97 V402 Q410 C411	I97-C406 HydrophobicContact CD1-CB 3.47Å; I97-C406 VanDerWaalsContact CD1-CB 3.47Å; V402-C406 HydrophobicContact CG1-CB 4.35Å; V402-C406 WeakPolarHBondContact O-CA 3.48Å; V402-C406 VanDerWaalsContact O-CB 3.22Å; V402-C406 WeakPolarHBondContact O-CB 3.39Å; V402-C406 PolarHBondContact O-N 3.11Å; C406-Q410 WeakPolarHBondContact O-CA 3.25Å; C406-C411 VanDerWaalsContact CA-SG 3.57Å; C406-C411 HydrophobicContact CB-CB 3.91Å; C406-C411 WeakPolarHBondContact CB-SG 3.44Å; C406-C411 WeakPolarHBondContact SG-CB 3.41Å; C406-C411 CovalentContact SG-SG 2.04Å; C406-C411 PolarHBondContact SG-SG 3.46Å
407	V	89.1	Confident	89.8	Confident	52 Å²	52	54.7 Å²	54.7	32%	0.315	29%	0.292	S	S	.	.	I	π-helix	trans	-89.3	-53.1	175.6	-177.4	0	0	0	0	110	I97 V402 K403	I97-V407 HydrophobicContact CD1-CG2 4.11Å; V402-V407 PolarHBondContact O-N 3.2Å; K403-V407 HydrophobicContact CG-CB 4.19Å; K403-V407 HydrophobicContact CG-CG2 4.45Å; K403-V407 WeakPolarHBondContact O-CA 3.49Å; K403-V407 VanDerWaalsContact O-CB 3.3Å; K403-V407 WeakPolarHBondContact O-CB 3.27Å; K403-V407 PolarHBondContact O-N 3.43Å
408	D	89.7	Confident	89.4	Confident	107 Å²	107	55.3 Å²	55.3	57%	0.572	30%	0.296	S	S	*	.	I	π-helix	trans	-79.7	-40.8	-173.5	-61.8	-22.1	0	0	0	111.9	K403	K403-D408 PolarHBondContact O-N 3.41Å
409	K	87.8	Confident	89.1	Confident	132 Å²	132	58.9 Å²	58.9	57%	0.574	31%	0.313	S	S	*	.	S	Bend	trans	-101.8	1.6	-179	-64.7	168.3	-172.6	160.1	0	114.7	D404 L405	D404-K409 VanDerWaalsContact CG-NZ 3.31Å; D404-K409 WeakPolarHBondContact O-CB 3.24Å; D404-K409 WeakPolarHBondContact O-CD 3.44Å; D404-K409 VanDerWaalsContact O-CG 3.27Å; D404-K409 WeakPolarHBondContact O-CG 3.41Å; D404-K409 PolarHBondContact O-N 2.88Å; D404-K409 WeakPolarHBondContact OD1-CE 3.23Å; D404-K409 IonicContact OD1-NZ 3.34Å; D404-K409 PolarHBondContact OD1-NZ 3.29Å; D404-K409 IonicContact OD2-NZ 2.78Å; D404-K409 PolarHBondContact OD2-NZ 3.28Å; L405-K409 CarbonylContact O-C 3.57Å; L405-K409 WeakPolarHBondContact O-CB 3Å
410	Q	86.4	Confident	88.8	Confident	169 Å²	169	62.4 Å²	62.4	79%	0.79	33%	0.334	S	S	*	.			trans	53.4	59.9	178	-60.9	-176.6	-6.2	0	0	114.5	L405 C406	L405-Q410 PolarHBondContact O-N 2.95Å; C406-Q410 WeakPolarHBondContact O-CA 3.25Å
411	C	85.1	Confident	88.7	Confident	37 Å²	37	61.2 Å²	61.2	25%	0.25	32%	0.324	C	S	.	.			trans	-63	152.6	172.4	94.8	0	0	0	0	113	L405 C406	L405-C411 WeakPolarHBondContact O-CB 3.48Å; L405-C411 PolarHBondContact O-N 2.81Å; C406-C411 VanDerWaalsContact CA-SG 3.57Å; C406-C411 HydrophobicContact CB-CB 3.91Å; C406-C411 WeakPolarHBondContact CB-SG 3.44Å; C406-C411 WeakPolarHBondContact SG-CB 3.41Å; C406-C411 CovalentContact SG-SG 2.04Å; C406-C411 PolarHBondContact SG-SG 3.46Å
412	N	85.3	Confident	88.7	Confident	93 Å²	93	62 Å²	62	50%	0.497	33%	0.327	S	S	.	.			trans	-89.4	105.4	162.3	-179.2	-1.9	0	0	0	109.7	S414 T415 L416	N412-S414 PolarHBondContact ND2-OG 3.15Å; N412-S414 PolarHBondContact O-N 2.95Å; N412-S414 PolarHBondContact OD1-N 3.08Å; N412-S414 VanDerWaalsContact OD1-N 3.15Å; N412-S414 PolarHBondContact OD1-OG 3.06Å; N412-T415 WeakPolarHBondContact CB-OG1 3.49Å; N412-T415 PolarHBondContact O-N 3.3Å; N412-T415 VanDerWaalsContact O-N 3.11Å; N412-T415 PolarHBondContact O-OG1 3.38Å; N412-T415 VanDerWaalsContact O-OG1 3.1Å; N412-L416 PolarHBondContact O-N 3.45Å
413	I	83.1	Confident	88.6	Confident	48 Å²	48	65.4 Å²	65.4	25%	0.246	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-56.5	-38.9	-176.9	-58.5	173.1	0	0	0	111.5	D34 I35 I97 T415 L416	D34-I413 HydrophobicContact CB-CD1 4.09Å; D34-I413 HydrophobicContact CB-CG2 4.36Å; D34-I413 VanDerWaalsContact O-CG2 3.26Å; D34-I413 WeakPolarHBondContact O-CG2 3.44Å; I35-I413 HydrophobicContact CG1-CG2 3.93Å; I97-I413 HydrophobicContact CD1-CD1 3.93Å; I97-I413 HydrophobicContact CG1-CD1 3.92Å; I97-I413 HydrophobicContact CG2-CD1 4.03Å; I413-T415 PolarHBondContact O-N 3.23Å; I413-L416 PolarHBondContact O-N 3.03Å
414	S	77.7	Confident	88.6	Confident	95 Å²	95	62.2 Å²	62.2	66%	0.664	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-65.4	-20.7	-178.2	66	0	0	0	0	114.2	N412	N412-S414 PolarHBondContact ND2-OG 3.15Å; N412-S414 PolarHBondContact O-N 2.95Å; N412-S414 PolarHBondContact OD1-N 3.08Å; N412-S414 VanDerWaalsContact OD1-N 3.15Å; N412-S414 PolarHBondContact OD1-OG 3.06Å
415	T	80.4	Confident	88.8	Confident	82 Å²	82	59.5 Å²	59.5	50%	0.503	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-114.7	2.4	-177.8	55.4	0	0	0	0	113.4	N412 I413 Q417	N412-T415 WeakPolarHBondContact CB-OG1 3.49Å; N412-T415 PolarHBondContact O-N 3.3Å; N412-T415 VanDerWaalsContact O-N 3.11Å; N412-T415 PolarHBondContact O-OG1 3.38Å; N412-T415 VanDerWaalsContact O-OG1 3.1Å; I413-T415 PolarHBondContact O-N 3.23Å; T415-Q417 PolarHBondContact O-N 3.18Å; T415-Q417 VanDerWaalsContact O-N 3.08Å; T415-Q417 PolarHBondContact O-NE2 3.33Å; T415-Q417 VanDerWaalsContact O-NE2 3.16Å
416	L	85.9	Confident	88.9	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.094	33%	0.326	C	S	.	.			trans	-63.9	110.4	-175.2	-178.7	63.2	0	0	0	110.3	I35 T141 L405 N412 I413 F421	I35-L416 HydrophobicContact CD1-CD2 4.37Å; T141-L416 HydrophobicContact CG2-CD2 4.21Å; L405-L416 HydrophobicContact CD1-CD1 4.27Å; N412-L416 PolarHBondContact O-N 3.45Å; I413-L416 PolarHBondContact O-N 3.03Å; L416-F421 HydrophobicContact CD2-CD2 4.01Å
417	Q	84.9	Confident	88.9	Confident	115 Å²	115	65 Å²	65	54%	0.537	35%	0.352	S	S	.	.			trans	-77.7	140.8	-179.2	-63.5	-57.3	-53.7	0	0	110.9	T415 E419 T420 F421	T415-Q417 PolarHBondContact O-N 3.18Å; T415-Q417 VanDerWaalsContact O-N 3.08Å; T415-Q417 PolarHBondContact O-NE2 3.33Å; T415-Q417 VanDerWaalsContact O-NE2 3.16Å; Q417-E419 PolarHBondContact O-N 3.23Å; Q417-E419 VanDerWaalsContact O-N 3.17Å; Q417-T420 PolarHBondContact O-N 2.9Å; Q417-F421 PolarHBondContact O-N 3.49Å; Q417-F421 VanDerWaalsContact O-N 3.13Å
418	P	89.4	Confident	89.1	Confident	12 Å²	12	63 Å²	63	8%	0.078	34%	0.34	C	S	.	.	H	α-helix	trans	-55.7	-32.4	175.2	-24.4	32.8	0	0	0	113.1	Q163 I164 F421 R422	Q163-P418 CarbonylContact O-C 3.54Å; I164-P418 HydrophobicContact CB-CB 4.39Å; I164-P418 HydrophobicContact CG1-CB 3.89Å; I164-P418 HydrophobicContact CG1-CG 4.06Å; P418-F421 PolarHBondContact O-N 3.04Å; P418-R422 VanDerWaalsContact O-CB 3.31Å; P418-R422 WeakPolarHBondContact O-CB 3.43Å; P418-R422 PolarHBondContact O-N 3.07Å
419	E	90.2	Very high	89.4	Confident	77 Å²	77	66.4 Å²	66.4	36%	0.36	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-53.2	175.9	-161.8	179.3	-158.5	0	0	113	Q163 Q417 F421 R422 D423	Q163-E419 HydrophobicContact CB-CB 4.14Å; Q163-E419 HydrophobicContact CB-CG 4.35Å; Q163-E419 VanDerWaalsContact CD-CD 3.47Å; Q163-E419 VanDerWaalsContact NE2-CD 3.27Å; Q163-E419 PolarHBondContact NE2-OE1 3.33Å; Q163-E419 PolarHBondContact OE1-OE1 3.37Å; Q163-E419 PolarHBondContact OE1-OE2 3.15Å; Q417-E419 PolarHBondContact O-N 3.23Å; Q417-E419 VanDerWaalsContact O-N 3.17Å; E419-F421 VanDerWaalsContact C-N 3.26Å; E419-F421 PolarHBondContact O-N 2.86Å; E419-R422 WeakPolarHBondContact O-CB 3.16Å; E419-R422 PolarHBondContact O-N 3.03Å; E419-R422 IonicContact OE1-NH2 3.42Å; E419-D423 PolarHBondContact O-N 3.11Å
420	T	91.8	Very high	89.7	Confident	77 Å²	77	60.5 Å²	60.5	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-39.3	179.6	-51.5	0	0	0	0	110.4	Q417 A424	Q417-T420 PolarHBondContact O-N 2.9Å; T420-A424 WeakPolarHBondContact O-CB 3.38Å; T420-A424 PolarHBondContact O-N 2.85Å; T420-A424 VanDerWaalsContact O-N 3.09Å
421	F	94	Very high	89.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-45.6	175.9	-166.8	-94.6	0	0	0	112	T141 A142 P165 I398 T401 V402 L405 L416 Q417 P418 E419 D423 A424 L425	T141-F421 HydrophobicContact CG2-CB 3.75Å; T141-F421 HydrophobicContact CG2-CD1 3.73Å; T141-F421 HydrophobicContact CG2-CD2 3.66Å; T141-F421 HydrophobicContact CG2-CE1 4.26Å; T141-F421 HydrophobicContact CG2-CE2 4.18Å; T141-F421 HydrophobicContact CG2-CG 3.41Å; T141-F421 VanDerWaalsContact CG2-CG 3.41Å; T141-F421 HydrophobicContact CG2-CZ 4.47Å; A142-F421 HydrophobicContact CB-CD1 4.32Å; A142-F421 HydrophobicContact CB-CE1 3.96Å; P165-F421 HydrophobicContact CG-CD1 3.96Å; I398-F421 HydrophobicContact CB-CZ 4.44Å; I398-F421 HydrophobicContact CG2-CE1 4.38Å; I398-F421 HydrophobicContact CG2-CZ 3.86Å; T401-F421 HydrophobicContact CG2-CD2 3.92Å; T401-F421 HydrophobicContact CG2-CE1 4.3Å; T401-F421 HydrophobicContact CG2-CE2 3.59Å; T401-F421 HydrophobicContact CG2-CG 4.42Å; T401-F421 HydrophobicContact CG2-CZ 3.78Å; V402-F421 HydrophobicContact CG2-CE2 3.74Å; V402-F421 HydrophobicContact CG2-CZ 4.1Å; L405-F421 HydrophobicContact CD1-CD2 4.08Å; L416-F421 HydrophobicContact CD2-CD2 4.01Å; Q417-F421 PolarHBondContact O-N 3.49Å; Q417-F421 VanDerWaalsContact O-N 3.13Å; P418-F421 PolarHBondContact O-N 3.04Å; E419-F421 VanDerWaalsContact C-N 3.26Å; E419-F421 PolarHBondContact O-N 2.86Å; F421-D423 PolarHBondContact O-N 3.05Å; F421-A424 PolarHBondContact O-N 3.09Å; F421-L425 HydrophobicContact CE1-CD2 4.47Å; F421-L425 WeakPolarHBondContact O-CB 3.31Å; F421-L425 PolarHBondContact O-N 3.48Å
422	R	94.6	Very high	90	Very high	20 Å²	20	54.1 Å²	54.1	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-47.3	176.5	176.6	-162.9	72.3	-153.1	-5.5	111.7	P165 S184 P418 E419 L425 K426	P165-R422 HydrophobicContact CB-CB 3.91Å; P165-R422 HydrophobicContact CB-CG 4Å; P165-R422 HydrophobicContact CG-CB 3.9Å; S184-R422 WeakPolarHBondContact OG-CD 3.31Å; P418-R422 VanDerWaalsContact O-CB 3.31Å; P418-R422 WeakPolarHBondContact O-CB 3.43Å; P418-R422 PolarHBondContact O-N 3.07Å; E419-R422 WeakPolarHBondContact O-CB 3.16Å; E419-R422 PolarHBondContact O-N 3.03Å; E419-R422 IonicContact OE1-NH2 3.42Å; R422-L425 WeakPolarHBondContact O-CB 3.32Å; R422-L425 PolarHBondContact O-N 3.15Å; R422-K426 WeakPolarHBondContact O-CG 3.46Å; R422-K426 PolarHBondContact O-N 3.29Å
423	D	93.8	Very high	90	Very high	70 Å²	70	56.4 Å²	56.4	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-71.8	-35.9	-174.8	-65.7	-19.6	0	0	0	111.5	E419 F421 K426	E419-D423 PolarHBondContact O-N 3.11Å; F421-D423 PolarHBondContact O-N 3.05Å; D423-K426 IonicContact OD1-NZ 3.64Å
424	A	94.8	Very high	90	Very high	14 Å²	14	58 Å²	58	12%	0.116	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-45.2	169.6	0	0	0	0	0	111.8	T401 L405 T420 F421 K426 S427 A428	T401-A424 HydrophobicContact CG2-CB 3.73Å; L405-A424 HydrophobicContact CD1-CB 3.66Å; L405-A424 HydrophobicContact CD2-CB 3.88Å; L405-A424 HydrophobicContact CG-CB 3.92Å; T420-A424 WeakPolarHBondContact O-CB 3.38Å; T420-A424 PolarHBondContact O-N 2.85Å; T420-A424 VanDerWaalsContact O-N 3.09Å; F421-A424 PolarHBondContact O-N 3.09Å; A424-K426 VanDerWaalsContact C-N 3.31Å; A424-K426 PolarHBondContact O-N 3.41Å; A424-S427 CarbonylContact O-C 3.58Å; A424-S427 PolarHBondContact O-N 3.47Å; A424-S427 PolarHBondContact O-OG 2.93Å; A424-A428 PolarHBondContact O-N 3.28Å; A424-A428 VanDerWaalsContact O-N 3.13Å
425	L	96.3	Very high	90.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.9	-40.5	-179.7	179	68.1	0	0	0	112.2	P165 I167 L186 A397 T401 F421 R422 S427 A428 F439	P165-L425 HydrophobicContact CB-CD2 3.84Å; P165-L425 HydrophobicContact CG-CD2 4.21Å; I167-L425 HydrophobicContact CD1-CD1 4.11Å; I167-L425 HydrophobicContact CD1-CD2 3.7Å; I167-L425 HydrophobicContact CD1-CG 4.45Å; I167-L425 HydrophobicContact CG1-CD2 3.94Å; L186-L425 HydrophobicContact CD1-CD2 4.04Å; L186-L425 HydrophobicContact CD2-CD2 4.05Å; L186-L425 HydrophobicContact CD2-CG 3.99Å; A397-L425 HydrophobicContact CB-CD1 4.08Å; T401-L425 HydrophobicContact CG2-CB 4.18Å; T401-L425 VanDerWaalsContact OG1-CD1 3.26Å; T401-L425 WeakPolarHBondContact OG1-CD1 3.22Å; F421-L425 HydrophobicContact CE1-CD2 4.47Å; F421-L425 WeakPolarHBondContact O-CB 3.31Å; F421-L425 PolarHBondContact O-N 3.48Å; R422-L425 WeakPolarHBondContact O-CB 3.32Å; R422-L425 PolarHBondContact O-N 3.15Å; L425-S427 PolarHBondContact O-N 3.39Å; L425-A428 VanDerWaalsContact O-CB 3.24Å; L425-A428 WeakPolarHBondContact O-CB 3.47Å; L425-A428 PolarHBondContact O-N 3.12Å; L425-A428 VanDerWaalsContact O-N 3.07Å; L425-F439 HydrophobicContact CD1-CE2 4.06Å; L425-F439 HydrophobicContact CG-CE2 4.18Å; L425-F439 VanDerWaalsContact O-CD2 3.25Å; L425-F439 WeakPolarHBondContact O-CD2 3.5Å; L425-F439 WeakPolarHBondContact O-CE2 3.23Å
426	K	94.6	Very high	91.2	Very high	60 Å²	60	63.4 Å²	63.4	26%	0.261	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-30.5	175.4	-74.6	172.1	179.9	169.2	0	113.3	P183 L186 R422 D423 A424	P183-K426 WeakPolarHBondContact O-CE 3.37Å; P183-K426 PolarHBondContact O-NZ 2.84Å; L186-K426 HydrophobicContact CD2-CG 4.02Å; R422-K426 WeakPolarHBondContact O-CG 3.46Å; R422-K426 PolarHBondContact O-N 3.29Å; D423-K426 IonicContact OD1-NZ 3.64Å; A424-K426 VanDerWaalsContact C-N 3.31Å; A424-K426 PolarHBondContact O-N 3.41Å
427	S	93.1	Very high	91.6	Very high	87 Å²	87	63.8 Å²	63.8	61%	0.608	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.8	179.6	69.8	0	0	0	0	114	A424 L425	A424-S427 CarbonylContact O-C 3.58Å; A424-S427 PolarHBondContact O-N 3.47Å; A424-S427 PolarHBondContact O-OG 2.93Å; L425-S427 PolarHBondContact O-N 3.39Å
428	A	93.3	Very high	92.1	Very high	9 Å²	9	61.4 Å²	61.4	7%	0.074	34%	0.336	C	S	.	.			trans	-65.3	140.1	-173.8	0	0	0	0	0	112	T401 A424 L425 F430	T401-A428 WeakPolarHBondContact OG1-CB 3.47Å; A424-A428 PolarHBondContact O-N 3.28Å; A424-A428 VanDerWaalsContact O-N 3.13Å; L425-A428 VanDerWaalsContact O-CB 3.24Å; L425-A428 WeakPolarHBondContact O-CB 3.47Å; L425-A428 PolarHBondContact O-N 3.12Å; L425-A428 VanDerWaalsContact O-N 3.07Å; A428-F430 HydrophobicContact CB-CD1 4.23Å
429	K	94.3	Very high	92.4	Very high	179 Å²	179	61.5 Å²	61.5	78%	0.778	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.2	171.8	-66.2	179.5	-177.4	174.7	0	108.3
430	F	94.1	Very high	92.6	Very high	8 Å²	8	60 Å²	60	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158	-176.2	43.8	-85.7	0	0	0	110	L393 A397 A400 A428 Y437 F439 V445	L393-F430 HydrophobicContact CD1-CD2 3.55Å; L393-F430 HydrophobicContact CD1-CE2 3.49Å; L393-F430 VanDerWaalsContact CD1-CE2 3.49Å; L393-F430 HydrophobicContact CD2-CE2 4.12Å; L393-F430 HydrophobicContact CG-CD2 4.08Å; L393-F430 HydrophobicContact CG-CE2 3.56Å; A397-F430 HydrophobicContact CB-CD1 3.61Å; A397-F430 HydrophobicContact CB-CD2 4.26Å; A397-F430 HydrophobicContact CB-CE1 3.52Å; A397-F430 HydrophobicContact CB-CE2 4.18Å; A397-F430 HydrophobicContact CB-CG 4Å; A397-F430 HydrophobicContact CB-CZ 3.82Å; A400-F430 HydrophobicContact CB-CB 3.84Å; A428-F430 HydrophobicContact CB-CD1 4.23Å; F430-Y437 HydrophobicContact CE2-CG 4.34Å; F430-Y437 PolarHBondContact N-O 2.78Å; F430-Y437 PolarHBondContact O-N 3Å; F430-F439 AromaticContact CE1-CD2 3.96Å; F430-F439 HydrophobicContact CE1-CD2 3.96Å; F430-F439 AromaticContact CE1-CE2 3.6Å; F430-F439 HydrophobicContact CE1-CE2 3.6Å; F430-F439 HydrophobicContact CE1-CZ 4.15Å; F430-F439 HydrophobicContact CZ-CD2 4.39Å; F430-F439 AromaticContact CZ-CE2 3.99Å; F430-F439 HydrophobicContact CZ-CE2 3.99Å; F430-F439 HydrophobicContact CZ-CZ 4.09Å; F430-V445 HydrophobicContact CZ-CG2 4.15Å
431	S	90.2	Very high	92.6	Very high	69 Å²	69	63.8 Å²	63.8	48%	0.483	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.2	-179	58.9	0	0	0	0	111.8	R396 K435	R396-S431 WeakPolarHBondContact CD-O 3.38Å; S431-K435 CarbonylContact C-O 3.38Å; S431-K435 WeakPolarHBondContact CA-O 3.39Å; S431-K435 WeakPolarHBondContact CB-O 3.41Å
432	M	89.1	Confident	92.7	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.015	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.8	173.9	-175.5	172.3	171.2	0	0	107.4	F389 E392 L393 G434 K435 Y437	F389-M432 HydrophobicContact CD2-CE 4.03Å; F389-M432 HydrophobicContact CD2-SD 4.09Å; F389-M432 HydrophobicContact CE2-SD 4.16Å; E392-M432 HydrophobicContact CB-CE 4.01Å; E392-M432 HydrophobicContact CB-SD 4.23Å; E392-M432 HydrophobicContact CG-CE 4Å; E392-M432 HydrophobicContact CG-SD 4.14Å; E392-M432 WeakPolarHBondContact OE2-CE 3.4Å; L393-M432 HydrophobicContact CB-SD 4.4Å; L393-M432 HydrophobicContact CD1-CB 4.06Å; L393-M432 HydrophobicContact CD1-SD 4.25Å; M432-G434 PolarHBondContact O-N 3.36Å; M432-G434 VanDerWaalsContact O-N 3.12Å; M432-K435 PolarHBondContact N-O 2.81Å; M432-K435 PolarHBondContact O-N 3.17Å; M432-Y437 HydrophobicContact CB-CE2 4.13Å
433	E	84.2	Confident	92.7	Very high	141 Å²	141	69.8 Å²	69.8	66%	0.659	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.3	179.6	-60	178.6	175.6	0	0	114.3	K435	E433-K435 PolarHBondContact O-N 2.88Å
434	G	82.9	Confident	92.8	Very high	82 Å²	82	66.5 Å²	66.5	85%	0.845	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-3.7	179.6	0	0	0	0	0	115.3	M432	M432-G434 PolarHBondContact O-N 3.36Å; M432-G434 VanDerWaalsContact O-N 3.12Å
435	K	90.3	Very high	92.8	Very high	109 Å²	109	66 Å²	66	47%	0.474	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141	170.9	-173	170.1	170.7	-172.8	0	110.5	S431 M432 E433 Y437	S431-K435 CarbonylContact C-O 3.38Å; S431-K435 WeakPolarHBondContact CA-O 3.39Å; S431-K435 WeakPolarHBondContact CB-O 3.41Å; M432-K435 PolarHBondContact N-O 2.81Å; M432-K435 PolarHBondContact O-N 3.17Å; E433-K435 PolarHBondContact O-N 2.88Å; K435-Y437 HydrophobicContact CB-CE2 3.83Å; K435-Y437 HydrophobicContact CD-CE1 4.24Å; K435-Y437 HydrophobicContact CD-CE2 4.3Å; K435-Y437 WeakPolarHBondContact CD-OH 3.29Å; K435-Y437 HydrophobicContact CG-CE2 3.9Å
436	K	93.2	Very high	92.6	Very high	181 Å²	181	68.7 Å²	68.7	79%	0.787	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	142	176.1	-65.1	-176.8	-179.3	-179.2	0	110.5
437	Y	95	Very high	92.4	Very high	26 Å²	26	66.3 Å²	66.3	10%	0.102	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.2	179.3	-61.5	-91.5	0	0	0	109.6	F389 L393 F430 M432 K435 V445	F389-Y437 WeakPolarHBondContact CE2-OH 2.94Å; F389-Y437 AromaticContact CZ-CE1 3.85Å; F389-Y437 HydrophobicContact CZ-CE1 3.85Å; F389-Y437 AromaticContact CZ-CZ 3.67Å; F389-Y437 WeakPolarHBondContact CZ-OH 3.42Å; L393-Y437 HydrophobicContact CD1-CD2 3.76Å; L393-Y437 HydrophobicContact CD1-CE2 4.21Å; L393-Y437 HydrophobicContact CD1-CG 3.99Å; L393-Y437 HydrophobicContact CD2-CD1 4.22Å; L393-Y437 HydrophobicContact CD2-CG 4.32Å; F430-Y437 HydrophobicContact CE2-CG 4.34Å; F430-Y437 PolarHBondContact N-O 2.78Å; F430-Y437 PolarHBondContact O-N 3Å; M432-Y437 HydrophobicContact CB-CE2 4.13Å; K435-Y437 HydrophobicContact CB-CE2 3.83Å; K435-Y437 HydrophobicContact CD-CE1 4.24Å; K435-Y437 HydrophobicContact CD-CE2 4.3Å; K435-Y437 WeakPolarHBondContact CD-OH 3.29Å; K435-Y437 HydrophobicContact CG-CE2 3.9Å; Y437-V445 HydrophobicContact CD1-CG1 3.9Å
438	S	95.4	Very high	92.4	Very high	65 Å²	65	62.4 Å²	62.4	46%	0.455	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.4	173.3	54.5	0	0	0	0	108.5
439	F	96.2	Very high	92.5	Very high	14 Å²	14	62 Å²	62	6%	0.061	33%	0.325	C	S	.	.			trans	-74.8	140.1	169.7	-61.4	-75.7	0	0	0	110.3	L186 A397 L425 F430 S443 D444 V445	L186-F439 HydrophobicContact CB-CD1 4.36Å; L186-F439 HydrophobicContact CB-CE1 3.99Å; L186-F439 HydrophobicContact CB-CZ 4.39Å; L186-F439 HydrophobicContact CD2-CD1 4.07Å; L186-F439 HydrophobicContact CD2-CD2 3.92Å; L186-F439 HydrophobicContact CD2-CE1 4.04Å; L186-F439 HydrophobicContact CD2-CE2 3.88Å; L186-F439 HydrophobicContact CD2-CG 4.01Å; L186-F439 HydrophobicContact CD2-CZ 3.94Å; A397-F439 HydrophobicContact CB-CE2 4.06Å; A397-F439 HydrophobicContact CB-CZ 4.04Å; L425-F439 HydrophobicContact CD1-CE2 4.06Å; L425-F439 HydrophobicContact CG-CE2 4.18Å; L425-F439 VanDerWaalsContact O-CD2 3.25Å; L425-F439 WeakPolarHBondContact O-CD2 3.5Å; L425-F439 WeakPolarHBondContact O-CE2 3.23Å; F430-F439 AromaticContact CE1-CD2 3.96Å; F430-F439 HydrophobicContact CE1-CD2 3.96Å; F430-F439 AromaticContact CE1-CE2 3.6Å; F430-F439 HydrophobicContact CE1-CE2 3.6Å; F430-F439 HydrophobicContact CE1-CZ 4.15Å; F430-F439 HydrophobicContact CZ-CD2 4.39Å; F430-F439 AromaticContact CZ-CE2 3.99Å; F430-F439 HydrophobicContact CZ-CE2 3.99Å; F430-F439 HydrophobicContact CZ-CZ 4.09Å; F439-S443 WeakPolarHBondContact CD1-O 3.5Å; F439-D444 WeakPolarHBondContact CA-O 3.42Å; F439-V445 HydrophobicContact CD1-CG2 3.62Å; F439-V445 HydrophobicContact CE1-CG2 3.72Å; F439-V445 HydrophobicContact CG-CG2 4.41Å
440	N	93.8	Very high	92.5	Very high	46 Å²	46	54 Å²	54	25%	0.246	29%	0.291	C	S	.	.			trans	-79.9	-176.1	173.8	68.8	17.9	0	0	0	111.4	Y442 S443 D444 D446	N440-Y442 PolarHBondContact O-N 3.18Å; N440-Y442 VanDerWaalsContact O-N 3.08Å; N440-Y442 VanDerWaalsContact OD1-C 3.29Å; N440-Y442 WeakPolarHBondContact OD1-CA 3.24Å; N440-Y442 WeakPolarHBondContact OD1-CB 2.99Å; N440-Y442 PolarHBondContact OD1-N 3.13Å; N440-S443 WeakPolarHBondContact O-CA 3.49Å; N440-S443 PolarHBondContact O-N 3.2Å; N440-S443 PolarHBondContact OD1-N 2.85Å; N440-D444 VanDerWaalsContact CG-O 3.24Å; N440-D444 PolarHBondContact N-O 2.62Å; N440-D444 PolarHBondContact OD1-N 2.7Å; N440-D444 PolarHBondContact OD1-O 3.09Å; N440-D446 PolarHBondContact ND2-OD2 2.84Å
441	D	92.3	Very high	92.5	Very high	156 Å²	156	53.7 Å²	53.7	83%	0.834	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.7	179.9	-62.4	-27.7	0	0	0	113.3	S443	D441-S443 VanDerWaalsContact C-N 3.35Å
442	Y	94.8	Very high	92.6	Very high	139 Å²	139	50.4 Å²	50.4	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	16.7	175	-52.7	-77.8	0	0	0	112.7	K179 N440 D444	K179-Y442 WeakPolarHBondContact CE-O 3.47Å; K179-Y442 PolarHBondContact NZ-O 3.07Å; N440-Y442 PolarHBondContact O-N 3.18Å; N440-Y442 VanDerWaalsContact O-N 3.08Å; N440-Y442 VanDerWaalsContact OD1-C 3.29Å; N440-Y442 WeakPolarHBondContact OD1-CA 3.24Å; N440-Y442 WeakPolarHBondContact OD1-CB 2.99Å; N440-Y442 PolarHBondContact OD1-N 3.13Å; Y442-D444 VanDerWaalsContact O-CG 3.3Å; Y442-D444 PolarHBondContact O-N 3.07Å; Y442-D444 VanDerWaalsContact O-N 3.15Å
443	S	95.7	Very high	92.7	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.049	27%	0.268	C	S	.	.	S	Bend	trans	51.6	32.1	-177.2	-42.5	0	0	0	0	114.8	K179 L186 R187 F439 N440 D441	K179-S443 VanDerWaalsContact CE-CB 3.49Å; K179-S443 WeakPolarHBondContact CE-OG 3.2Å; L186-S443 WeakPolarHBondContact CA-O 3.28Å; R187-S443 PolarHBondContact N-O 2.88Å; F439-S443 WeakPolarHBondContact CD1-O 3.5Å; N440-S443 WeakPolarHBondContact O-CA 3.49Å; N440-S443 PolarHBondContact O-N 3.2Å; N440-S443 PolarHBondContact OD1-N 2.85Å; D441-S443 VanDerWaalsContact C-N 3.35Å
444	D	95.3	Very high	93	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.011	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-108.7	152.2	178.6	-58.2	-33.4	0	0	0	110.2	S177 R187 F439 N440 Y442	S177-D444 PolarHBondContact OG-OD2 2.98Å; R187-D444 HydrophobicContact CG-CB 4.4Å; R187-D444 VanDerWaalsContact CG-OD1 3.31Å; R187-D444 WeakPolarHBondContact CG-OD1 3.28Å; R187-D444 IonicContact CZ-OD1 2.78Å; R187-D444 IonicContact CZ-OD2 2.65Å; R187-D444 IonicContact NE-OD1 2.68Å; R187-D444 PolarHBondContact NE-OD1 3.42Å; R187-D444 IonicContact NE-OD2 2.79Å; R187-D444 IonicContact NH2-OD1 3.26Å; R187-D444 PolarHBondContact NH2-OD1 2.84Å; R187-D444 IonicContact NH2-OD2 3.55Å; R187-D444 PolarHBondContact NH2-OD2 3.2Å; F439-D444 WeakPolarHBondContact CA-O 3.42Å; N440-D444 VanDerWaalsContact CG-O 3.24Å; N440-D444 PolarHBondContact N-O 2.62Å; N440-D444 PolarHBondContact OD1-N 2.7Å; N440-D444 PolarHBondContact OD1-O 3.09Å; Y442-D444 VanDerWaalsContact O-CG 3.3Å; Y442-D444 PolarHBondContact O-N 3.07Å; Y442-D444 VanDerWaalsContact O-N 3.15Å
445	V	95.1	Very high	93.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	22%	0.216	C	C	.	.			trans	-104.6	114.2	171.5	179.7	0	0	0	0	109.8	R187 V189 L393 F430 Y437 F439 S447	R187-V445 PolarHBondContact O-N 3.33Å; V189-V445 CarbonylContact C-O 3.43Å; L393-V445 HydrophobicContact CD2-CG1 4.06Å; F430-V445 HydrophobicContact CZ-CG2 4.15Å; Y437-V445 HydrophobicContact CD1-CG1 3.9Å; F439-V445 HydrophobicContact CD1-CG2 3.62Å; F439-V445 HydrophobicContact CE1-CG2 3.72Å; F439-V445 HydrophobicContact CG-CG2 4.41Å; V445-S447 PolarHBondContact O-N 3.32Å
446	D	91	Very high	92.8	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	22%	0.219	S	C	.	.			trans	-80.7	67.6	178.8	-64.5	-38.8	0	0	0	111.5	N440 G448 I473	N440-D446 PolarHBondContact ND2-OD2 2.84Å; D446-G448 VanDerWaalsContact C-N 3.3Å; D446-G448 PolarHBondContact O-N 3.05Å; D446-I473 HydrophobicContact CB-CD1 4.43Å; D446-I473 HydrophobicContact CB-CG2 4.33Å
447	S	91.6	Very high	91.8	Very high	10 Å²	10	39 Å²	39	7%	0.07	21%	0.209	C	C	.	.			trans	-75.6	-15	-175.8	58.5	0	0	0	0	114.5	V445	V445-S447 PolarHBondContact O-N 3.32Å
448	G	92.4	Very high	90.6	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	22%	0.224	C	C	.	.			trans	87	-178.6	-173.6	0	0	0	0	0	113.1	D446 F471	D446-G448 VanDerWaalsContact C-N 3.3Å; D446-G448 PolarHBondContact O-N 3.05Å; G448-F471 WeakPolarHBondContact CA-O 3.49Å
449	Y	95.7	Very high	89	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.3	174.8	-68.1	-95.5	0	0	0	110.4	P190 Q191 H194 Q195 I330 T331 L332 R470 F471 I473	P190-Y449 HydrophobicContact CB-CE2 4.04Å; P190-Y449 HydrophobicContact CG-CD2 4.2Å; P190-Y449 HydrophobicContact CG-CE1 4.22Å; P190-Y449 HydrophobicContact CG-CE2 3.49Å; P190-Y449 VanDerWaalsContact CG-CE2 3.49Å; Q191-Y449 PolarHBondContact O-OH 3.22Å; H194-Y449 HydrophobicContact CB-CE2 3.89Å; Q195-Y449 HydrophobicContact CB-CE1 4.01Å; Q195-Y449 HydrophobicContact CB-CE2 4.27Å; Q195-Y449 HydrophobicContact CG-CE1 4.1Å; I330-Y449 HydrophobicContact CG2-CD1 3.69Å; I330-Y449 HydrophobicContact CG2-CG 3.85Å; T331-Y449 CarbonylContact O-C 3.55Å; T331-Y449 WeakPolarHBondContact O-CA 3.2Å; T331-Y449 WeakPolarHBondContact O-CB 3.46Å; T331-Y449 WeakPolarHBondContact O-CD1 3.45Å; L332-Y449 HydrophobicContact CD2-CD1 4.36Å; L332-Y449 HydrophobicContact CD2-CE1 3.79Å; Y449-R470 CarbonylContact O-C 3.48Å; Y449-R470 VanDerWaalsContact O-CA 3.31Å; Y449-R470 WeakPolarHBondContact O-CA 3.38Å; Y449-R470 WeakPolarHBondContact O-CB 3.34Å; Y449-F471 HydrophobicContact CD2-CD1 4.19Å; Y449-F471 PolarHBondContact N-O 3.22Å; Y449-F471 VanDerWaalsContact N-O 3.09Å; Y449-F471 PolarHBondContact O-N 2.76Å; Y449-I473 HydrophobicContact CD2-CD1 4.36Å; Y449-I473 HydrophobicContact CE2-CD1 4.21Å
450	D	94.8	Very high	87.5	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.059	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.4	168.4	-67.4	-33.5	0	0	0	109.4	T331 K333 S334	T331-D450 HydrophobicContact CG2-CB 4.11Å; T331-D450 PolarHBondContact N-O 2.92Å; T331-D450 PolarHBondContact O-N 3.36Å; K333-D450 IonicContact NZ-OD1 3.13Å; K333-D450 PolarHBondContact NZ-OD1 3.42Å; K333-D450 IonicContact NZ-OD2 2.74Å; K333-D450 PolarHBondContact NZ-OD2 3.5Å; S334-D450 PolarHBondContact N-OD2 3.09Å
451	L	93.3	Very high	86.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.1	-179.5	-55.9	170.5	0	0	0	107.7	I202 F328 G329 I330 S467 I468 G469 L478 I480	I202-L451 HydrophobicContact CD1-CD2 4.36Å; F328-L451 HydrophobicContact CE1-CB 4.38Å; F328-L451 HydrophobicContact CE1-CD2 4.08Å; F328-L451 HydrophobicContact CZ-CB 4.21Å; F328-L451 HydrophobicContact CZ-CD1 4.4Å; F328-L451 HydrophobicContact CZ-CD2 4.48Å; G329-L451 WeakPolarHBondContact O-CA 3.11Å; I330-L451 HydrophobicContact CB-CD2 4.38Å; I330-L451 HydrophobicContact CD1-CD2 4.25Å; I330-L451 HydrophobicContact CG1-CD2 3.82Å; I330-L451 HydrophobicContact CG2-CD2 4.26Å; L451-S467 CarbonylContact O-C 3.59Å; L451-S467 WeakPolarHBondContact O-CA 3.19Å; L451-I468 HydrophobicContact CB-CG1 4.07Å; L451-I468 VanDerWaalsContact O-CG1 3.27Å; L451-I468 WeakPolarHBondContact O-CG1 3.21Å; L451-I468 PolarHBondContact O-N 2.69Å; L451-G469 PolarHBondContact N-O 3.27Å; L451-G469 PolarHBondContact O-N 3.02Å; L451-L478 HydrophobicContact CD1-CD1 3.51Å; L451-L478 HydrophobicContact CD1-CG 4.35Å; L451-L478 HydrophobicContact CD2-CD1 4.35Å; L451-I480 HydrophobicContact CD1-CD1 3.87Å; L451-I480 HydrophobicContact CD1-CG1 3.29Å
452	I	91.8	Very high	86.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.8	-176.1	57.5	164.5	0	0	0	110.8	S308 Q309 G329 T331 M464 Y466	S308-I452 WeakPolarHBondContact O-CD1 3.35Å; Q309-I452 HydrophobicContact CG-CD1 3.41Å; Q309-I452 VanDerWaalsContact CG-CD1 3.41Å; G329-I452 PolarHBondContact N-O 3.09Å; G329-I452 PolarHBondContact O-N 2.79Å; T331-I452 HydrophobicContact CG2-CD1 4.32Å; T331-I452 HydrophobicContact CG2-CG1 4.32Å; T331-I452 HydrophobicContact CG2-CG2 3.99Å; I452-M464 WeakPolarHBondContact CD1-O 3.4Å; I452-Y466 CarbonylContact C-O 3.47Å; I452-Y466 VanDerWaalsContact CA-O 3.25Å; I452-Y466 WeakPolarHBondContact CA-O 3.23Å
453	L	91.2	Very high	85.8	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.5	175.7	179.9	70.5	0	0	0	108.2	T326 R455 Y466 I468	T326-L453 HydrophobicContact CG2-CD1 3.79Å; L453-R455 PolarHBondContact O-N 3.19Å; L453-Y466 HydrophobicContact CB-CD1 4.3Å; L453-Y466 PolarHBondContact N-O 3.35Å; L453-I468 HydrophobicContact CB-CD1 3.98Å; L453-I468 HydrophobicContact CB-CG1 4.29Å; L453-I468 HydrophobicContact CB-CG2 3.73Å; L453-I468 HydrophobicContact CD2-CG2 4.36Å
454	W	90.6	Very high	85.3	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.015	24%	0.235	C	C	.	.			trans	-65.7	127.6	172.8	-73.4	19.4	0	0	0	109.3	W307 S308 C313 L314 L321 V327 V462 M464	W307-W454 HydrophobicContact CE3-CH2 4.44Å; W307-W454 HydrophobicContact CE3-CZ2 4.22Å; W307-W454 HydrophobicContact CZ3-CH2 4.08Å; W307-W454 HydrophobicContact CZ3-CZ2 4.05Å; S308-W454 PolarHBondContact O-NE1 3.44Å; C313-W454 HydrophobicContact CB-CH2 4.03Å; L314-W454 HydrophobicContact CB-CZ3 4.45Å; L321-W454 HydrophobicContact CD1-CB 4.04Å; L321-W454 HydrophobicContact CD1-CE3 3.83Å; L321-W454 HydrophobicContact CD2-CB 4.13Å; V327-W454 HydrophobicContact CB-CB 4.01Å; V327-W454 HydrophobicContact CB-CD2 3.69Å; V327-W454 HydrophobicContact CB-CE3 3.98Å; V327-W454 HydrophobicContact CB-CG 3.71Å; V327-W454 HydrophobicContact CG1-CD2 3.77Å; V327-W454 HydrophobicContact CG1-CE3 4.28Å; V327-W454 HydrophobicContact CG1-CG 3.97Å; V327-W454 HydrophobicContact CG1-CZ2 4.31Å; V327-W454 HydrophobicContact CG2-CD2 4.07Å; V327-W454 HydrophobicContact CG2-CE3 3.8Å; V327-W454 HydrophobicContact CG2-CG 4.49Å; V327-W454 HydrophobicContact CG2-CZ3 4.27Å; V327-W454 PolarHBondContact O-N 3Å; W454-V462 HydrophobicContact CB-CG1 3.91Å; W454-V462 HydrophobicContact CD2-CG1 4.26Å; W454-V462 HydrophobicContact CE3-CG1 4.12Å; W454-V462 HydrophobicContact CG-CG1 4.21Å; W454-M464 HydrophobicContact CD2-CG 3.82Å; W454-M464 HydrophobicContact CD2-SD 4.46Å; W454-M464 HydrophobicContact CE3-CG 4.44Å; W454-M464 HydrophobicContact CG-CG 4.03Å; W454-M464 HydrophobicContact CH2-SD 4.06Å; W454-M464 HydrophobicContact CZ2-CG 4.01Å; W454-M464 HydrophobicContact CZ2-SD 3.77Å
455	R	87.8	Confident	84.7	Confident	101 Å²	101	45.4 Å²	45.4	38%	0.381	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.2	176.2	66.5	177.7	179.8	172.1	-0.3	110.4	L453 S457 V462 D463 Y466	L453-R455 PolarHBondContact O-N 3.19Å; R455-S457 PolarHBondContact O-N 3.23Å; R455-V462 CarbonylContact O-C 3.53Å; R455-V462 WeakPolarHBondContact O-CA 3.41Å; R455-D463 HydrophobicContact CG-CB 3.81Å; R455-D463 IonicContact CZ-OD2 3.43Å; R455-D463 PolarHBondContact N-O 3.5Å; R455-D463 VanDerWaalsContact N-O 3.07Å; R455-D463 IonicContact NE-OD2 3.31Å; R455-D463 PolarHBondContact NE-OD2 3.39Å; R455-D463 IonicContact NH2-OD2 3.04Å; R455-D463 PolarHBondContact NH2-OD2 3.31Å; R455-D463 PolarHBondContact O-N 3.23Å; R455-Y466 HydrophobicContact CG-CD1 4.41Å; R455-Y466 HydrophobicContact CG-CG 4.28Å; R455-Y466 VanDerWaalsContact NH1-CD2 3.27Å; R455-Y466 VanDerWaalsContact NH1-CE2 3.25Å
456	S	81.6	Confident	84.4	Confident	77 Å²	77	48.7 Å²	48.7	54%	0.538	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.7	169.3	178.9	0	0	0	0	108.7	S458	S456-S458 PolarHBondContact OG-O 2.73Å
457	S	72.4	Confident	84.3	Confident	84 Å²	84	49.3 Å²	49.3	59%	0.587	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	-31	175.9	-171.8	0	0	0	0	111.4	R455 T461	R455-S457 PolarHBondContact O-N 3.23Å; S457-T461 PolarHBondContact N-O 3.21Å
458	S	70.5	Confident	84.3	Confident	60 Å²	60	49.3 Å²	49.3	42%	0.42	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	175.1	171.1	73.8	0	0	0	0	109.7	S456 N460 T461	S456-S458 PolarHBondContact OG-O 2.73Å; S458-N460 PolarHBondContact O-N 3.16Å; S458-T461 PolarHBondContact N-O 3.36Å; S458-T461 PolarHBondContact N-OG1 3.36Å; S458-T461 PolarHBondContact O-N 3.09Å; S458-T461 VanDerWaalsContact O-N 3.11Å; S458-T461 PolarHBondContact OG-OG1 2.91Å
459	Q	60.6	Low	84.3	Confident	196 Å²	196	49.8 Å²	49.8	92%	0.916	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-31.9	-175.3	-80.4	-178.3	-12.9	0	0	114.1
460	N	66.3	Low	84.2	Confident	126 Å²	126	55.4 Å²	55.4	67%	0.674	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	17	-179	-65.5	-4.3	0	0	0	114	S458	S458-N460 PolarHBondContact O-N 3.16Å
461	T	74.5	Confident	84.2	Confident	66 Å²	66	55 Å²	55	41%	0.405	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.7	177.7	65.7	0	0	0	0	111.7	S457 S458	S457-T461 PolarHBondContact N-O 3.21Å; S458-T461 PolarHBondContact N-O 3.36Å; S458-T461 PolarHBondContact N-OG1 3.36Å; S458-T461 PolarHBondContact O-N 3.09Å; S458-T461 VanDerWaalsContact O-N 3.11Å; S458-T461 PolarHBondContact OG-OG1 2.91Å
462	V	83.3	Confident	84.2	Confident	20 Å²	20	56.5 Å²	56.5	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.1	175.7	177.7	0	0	0	0	108.5	M316 L321 W454 R455 M464	M316-V462 HydrophobicContact CE-CB 3.64Å; M316-V462 HydrophobicContact CE-CG2 3.27Å; M316-V462 HydrophobicContact SD-CG2 3.85Å; L321-V462 HydrophobicContact CB-CG2 4Å; L321-V462 HydrophobicContact CD2-CG1 4.05Å; L321-V462 HydrophobicContact CD2-CG2 4.27Å; W454-V462 HydrophobicContact CB-CG1 3.91Å; W454-V462 HydrophobicContact CD2-CG1 4.26Å; W454-V462 HydrophobicContact CE3-CG1 4.12Å; W454-V462 HydrophobicContact CG-CG1 4.21Å; R455-V462 CarbonylContact O-C 3.53Å; R455-V462 WeakPolarHBondContact O-CA 3.41Å; V462-M464 HydrophobicContact CB-CE 4.44Å; V462-M464 HydrophobicContact CG1-CG 3.9Å; V462-M464 VanDerWaalsContact O-CE 3.32Å; V462-M464 WeakPolarHBondContact O-CE 3.5Å; V462-M464 PolarHBondContact O-N 3.46Å
463	D	85.8	Confident	84.3	Confident	28 Å²	28	57 Å²	57	15%	0.15	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111.2	169.3	175.9	10.9	0	0	0	108.6	R455 S465 Y466	R455-D463 HydrophobicContact CG-CB 3.81Å; R455-D463 IonicContact CZ-OD2 3.43Å; R455-D463 PolarHBondContact N-O 3.5Å; R455-D463 VanDerWaalsContact N-O 3.07Å; R455-D463 IonicContact NE-OD2 3.31Å; R455-D463 PolarHBondContact NE-OD2 3.39Å; R455-D463 IonicContact NH2-OD2 3.04Å; R455-D463 PolarHBondContact NH2-OD2 3.31Å; R455-D463 PolarHBondContact O-N 3.23Å; D463-S465 WeakPolarHBondContact OD1-CA 3.34Å; D463-S465 PolarHBondContact OD1-N 2.88Å; D463-S465 PolarHBondContact OD1-OG 3.26Å; D463-Y466 PolarHBondContact OD1-N 3.25Å
464	M	85.7	Confident	84.2	Confident	28 Å²	28	64.4 Å²	64.4	14%	0.138	35%	0.345	C	S	.	.	S	Bend	trans	-98.8	6.7	-179.5	-61.9	167.8	-101.9	0	0	111.7	A311 I452 W454 V462	A311-M464 HydrophobicContact CB-CE 3.86Å; A311-M464 HydrophobicContact CB-SD 4.48Å; I452-M464 WeakPolarHBondContact CD1-O 3.4Å; W454-M464 HydrophobicContact CD2-CG 3.82Å; W454-M464 HydrophobicContact CD2-SD 4.46Å; W454-M464 HydrophobicContact CE3-CG 4.44Å; W454-M464 HydrophobicContact CG-CG 4.03Å; W454-M464 HydrophobicContact CH2-SD 4.06Å; W454-M464 HydrophobicContact CZ2-CG 4.01Å; W454-M464 HydrophobicContact CZ2-SD 3.77Å; V462-M464 HydrophobicContact CB-CE 4.44Å; V462-M464 HydrophobicContact CG1-CG 3.9Å; V462-M464 VanDerWaalsContact O-CE 3.32Å; V462-M464 WeakPolarHBondContact O-CE 3.5Å; V462-M464 PolarHBondContact O-N 3.46Å
465	S	83.7	Confident	84.3	Confident	66 Å²	66	67.5 Å²	67.5	46%	0.462	36%	0.364	S	S	.	.			trans	-110.8	3	-178.1	68.9	0	0	0	0	113.3	D463 S467	D463-S465 WeakPolarHBondContact OD1-CA 3.34Å; D463-S465 PolarHBondContact OD1-N 2.88Å; D463-S465 PolarHBondContact OD1-OG 3.26Å; S465-S467 PolarHBondContact O-N 3.25Å
466	Y	88.2	Confident	84.5	Confident	72 Å²	72	69 Å²	69	28%	0.282	37%	0.373	S	S	.	.			trans	-70.6	99.2	-177	-177.8	-117.5	0	0	0	111.9	I452 L453 R455 D463 I468	I452-Y466 CarbonylContact C-O 3.47Å; I452-Y466 VanDerWaalsContact CA-O 3.25Å; I452-Y466 WeakPolarHBondContact CA-O 3.23Å; L453-Y466 HydrophobicContact CB-CD1 4.3Å; L453-Y466 PolarHBondContact N-O 3.35Å; R455-Y466 HydrophobicContact CG-CD1 4.41Å; R455-Y466 HydrophobicContact CG-CG 4.28Å; R455-Y466 VanDerWaalsContact NH1-CD2 3.27Å; R455-Y466 VanDerWaalsContact NH1-CE2 3.25Å; D463-Y466 PolarHBondContact OD1-N 3.25Å; Y466-I468 HydrophobicContact CD1-CG2 3.75Å; Y466-I468 HydrophobicContact CE1-CG2 3.55Å
467	S	89.3	Confident	85	Confident	68 Å²	68	72.8 Å²	72.8	48%	0.476	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.1	177.7	175.4	0	0	0	0	111.9	L451 S465	L451-S467 CarbonylContact O-C 3.59Å; L451-S467 WeakPolarHBondContact O-CA 3.19Å; S465-S467 PolarHBondContact O-N 3.25Å
468	I	90.4	Very high	85.9	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.056	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-5.2	178.9	53.9	159.8	0	0	0	112.6	F328 L451 L453 Y466 S481	F328-I468 HydrophobicContact CD2-CD1 3.72Å; F328-I468 HydrophobicContact CE2-CD1 3.1Å; F328-I468 HydrophobicContact CE2-CG1 4.44Å; F328-I468 HydrophobicContact CZ-CD1 3.66Å; L451-I468 HydrophobicContact CB-CG1 4.07Å; L451-I468 VanDerWaalsContact O-CG1 3.27Å; L451-I468 WeakPolarHBondContact O-CG1 3.21Å; L451-I468 PolarHBondContact O-N 2.69Å; L453-I468 HydrophobicContact CB-CD1 3.98Å; L453-I468 HydrophobicContact CB-CG1 4.29Å; L453-I468 HydrophobicContact CB-CG2 3.73Å; L453-I468 HydrophobicContact CD2-CG2 4.36Å; Y466-I468 HydrophobicContact CD1-CG2 3.75Å; Y466-I468 HydrophobicContact CE1-CG2 3.55Å; I468-S481 WeakPolarHBondContact O-CB 3.32Å; I468-S481 PolarHBondContact O-N 3.24Å; I468-S481 PolarHBondContact O-OG 2.81Å
469	G	92.1	Very high	86.8	Confident	15 Å²	15	72.1 Å²	72.1	16%	0.155	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-174.3	-175.5	0	0	0	0	0	113.6	L451 Y479	L451-G469 PolarHBondContact N-O 3.27Å; L451-G469 PolarHBondContact O-N 3.02Å; G469-Y479 CarbonylContact C-O 3.46Å; G469-Y479 WeakPolarHBondContact CA-O 3.31Å
470	R	93.9	Very high	88	Confident	119 Å²	119	63.9 Å²	63.9	45%	0.449	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.8	176.1	66.4	-177.4	-177.7	109	-0.5	111.5	Y449 D472 Y479	Y449-R470 CarbonylContact O-C 3.48Å; Y449-R470 VanDerWaalsContact O-CA 3.31Å; Y449-R470 WeakPolarHBondContact O-CA 3.38Å; Y449-R470 WeakPolarHBondContact O-CB 3.34Å; R470-D472 IonicContact NH1-OD2 3.86Å; R470-D472 PolarHBondContact NH1-OD2 2.76Å; R470-Y479 HydrophobicContact CG-CD2 4.36Å; R470-Y479 PolarHBondContact N-O 2.98Å; R470-Y479 PolarHBondContact O-N 3.49Å
471	F	94.9	Very high	88.5	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.013	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.8	169	178.3	-104.8	0	0	0	109.8	H194 F197 A198 G448 Y449 I473 L478	H194-F471 HydrophobicContact CB-CE1 4.47Å; F197-F471 AromaticContact CD1-CE2 3.9Å; F197-F471 HydrophobicContact CD1-CE2 3.9Å; F197-F471 AromaticContact CD1-CZ 3.51Å; F197-F471 HydrophobicContact CD1-CZ 3.51Å; F197-F471 HydrophobicContact CE1-CE2 4.01Å; F197-F471 AromaticContact CE1-CZ 3.92Å; F197-F471 HydrophobicContact CE1-CZ 3.92Å; A198-F471 HydrophobicContact CB-CB 4.21Å; A198-F471 HydrophobicContact CB-CD1 3.85Å; A198-F471 HydrophobicContact CB-CD2 3.89Å; A198-F471 HydrophobicContact CB-CE1 4.2Å; A198-F471 HydrophobicContact CB-CE2 4.24Å; A198-F471 HydrophobicContact CB-CG 3.69Å; A198-F471 HydrophobicContact CB-CZ 4.4Å; G448-F471 WeakPolarHBondContact CA-O 3.49Å; Y449-F471 HydrophobicContact CD2-CD1 4.19Å; Y449-F471 PolarHBondContact N-O 3.22Å; Y449-F471 VanDerWaalsContact N-O 3.09Å; Y449-F471 PolarHBondContact O-N 2.76Å; F471-I473 HydrophobicContact CD1-CG1 4.14Å; F471-I473 HydrophobicContact CE1-CG1 3.93Å; F471-L478 HydrophobicContact CB-CD1 4.18Å; F471-L478 HydrophobicContact CD2-CB 4.32Å; F471-L478 HydrophobicContact CD2-CD1 4.06Å
472	D	94.5	Very high	88	Confident	31 Å²	31	64.2 Å²	64.2	17%	0.166	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.7	-178.3	-171.6	-66.8	0	0	0	109.3	R470 E474 T475 K476 R477 Y479	R470-D472 IonicContact NH1-OD2 3.86Å; R470-D472 PolarHBondContact NH1-OD2 2.76Å; D472-E474 PolarHBondContact OD1-N 3.14Å; D472-T475 WeakPolarHBondContact CB-OG1 3.21Å; D472-T475 PolarHBondContact OD1-N 3.1Å; D472-T475 PolarHBondContact OD1-OG1 2.95Å; D472-K476 WeakPolarHBondContact O-CA 3.37Å; D472-K476 PolarHBondContact O-N 3.18Å; D472-R477 PolarHBondContact N-O 2.64Å; D472-R477 PolarHBondContact O-N 3.19Å; D472-Y479 HydrophobicContact CB-CD2 4.36Å; D472-Y479 HydrophobicContact CB-CE2 3.93Å
473	I	93.5	Very high	86.7	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.067	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.2	-172.7	-67.2	169.7	0	0	0	111.2	P190 H194 D446 Y449 F471 K476	P190-I473 HydrophobicContact CB-CD1 3.5Å; P190-I473 VanDerWaalsContact CB-CD1 3.5Å; P190-I473 HydrophobicContact CG-CD1 3.95Å; H194-I473 HydrophobicContact CB-CD1 4.1Å; H194-I473 HydrophobicContact CB-CG1 4.1Å; D446-I473 HydrophobicContact CB-CD1 4.43Å; D446-I473 HydrophobicContact CB-CG2 4.33Å; Y449-I473 HydrophobicContact CD2-CD1 4.36Å; Y449-I473 HydrophobicContact CE2-CD1 4.21Å; F471-I473 HydrophobicContact CD1-CG1 4.14Å; F471-I473 HydrophobicContact CE1-CG1 3.93Å; I473-K476 WeakPolarHBondContact O-CG 3.41Å; I473-K476 PolarHBondContact O-N 3.34Å
474	E	89.4	Confident	85.4	Confident	165 Å²	165	66.7 Å²	66.7	77%	0.771	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-48.1	-177.8	-65.7	179.9	-174.6	0	0	111.2	D472	D472-E474 PolarHBondContact OD1-N 3.14Å
475	T	92.2	Very high	84.1	Confident	69 Å²	69	71.5 Å²	71.5	42%	0.423	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.2	-179.9	60.7	0	0	0	0	113.4	D472 R477	D472-T475 WeakPolarHBondContact CB-OG1 3.21Å; D472-T475 PolarHBondContact OD1-N 3.1Å; D472-T475 PolarHBondContact OD1-OG1 2.95Å; T475-R477 PolarHBondContact O-N 3.28Å
476	K	91.8	Very high	83.2	Confident	132 Å²	132	73.6 Å²	73.6	57%	0.574	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.1	-171.1	-59.4	-174.2	179	-177.5	0	112.7	F197 D472 I473	F197-K476 HydrophobicContact CE1-CB 4.12Å; F197-K476 HydrophobicContact CZ-CB 4.46Å; D472-K476 WeakPolarHBondContact O-CA 3.37Å; D472-K476 PolarHBondContact O-N 3.18Å; I473-K476 WeakPolarHBondContact O-CG 3.41Å; I473-K476 PolarHBondContact O-N 3.34Å
477	R	91.8	Very high	82.4	Confident	156 Å²	156	70.7 Å²	70.7	59%	0.589	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	136.3	-177.1	-73.8	-179.9	179.1	-178.8	-0.2	111.8	D472 T475 Y479	D472-R477 PolarHBondContact N-O 2.64Å; D472-R477 PolarHBondContact O-N 3.19Å; T475-R477 PolarHBondContact O-N 3.28Å; R477-Y479 HydrophobicContact CB-CD2 4.3Å; R477-Y479 HydrophobicContact CB-CE2 3.59Å
478	L	90.8	Very high	81.5	Confident	34 Å²	34	72 Å²	72	18%	0.178	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.6	176.2	-172.5	71	0	0	0	109.5	E201 I202 L451 F471 I480	E201-L478 HydrophobicContact CB-CD2 4.26Å; I202-L478 HydrophobicContact CG1-CD1 4.33Å; I202-L478 HydrophobicContact CG1-CD2 3.69Å; L451-L478 HydrophobicContact CD1-CD1 3.51Å; L451-L478 HydrophobicContact CD1-CG 4.35Å; L451-L478 HydrophobicContact CD2-CD1 4.35Å; F471-L478 HydrophobicContact CB-CD1 4.18Å; F471-L478 HydrophobicContact CD2-CB 4.32Å; F471-L478 HydrophobicContact CD2-CD1 4.06Å; L478-I480 HydrophobicContact CD1-CD1 4Å; L478-I480 HydrophobicContact CD1-CG1 4.28Å; L478-I480 HydrophobicContact CD2-CD1 3.42Å; L478-I480 VanDerWaalsContact CD2-CD1 3.42Å; L478-I480 HydrophobicContact CD2-CG1 4.34Å; L478-I480 HydrophobicContact CG-CD1 3.54Å; L478-I480 HydrophobicContact CG-CG1 3.92Å
479	Y	90.4	Very high	80.7	Confident	97 Å²	97	75.5 Å²	75.5	38%	0.38	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.4	177.4	-61.8	-87.2	0	0	0	108.8	G469 R470 D472 R477	G469-Y479 CarbonylContact C-O 3.46Å; G469-Y479 WeakPolarHBondContact CA-O 3.31Å; R470-Y479 HydrophobicContact CG-CD2 4.36Å; R470-Y479 PolarHBondContact N-O 2.98Å; R470-Y479 PolarHBondContact O-N 3.49Å; D472-Y479 HydrophobicContact CB-CD2 4.36Å; D472-Y479 HydrophobicContact CB-CE2 3.93Å; R477-Y479 HydrophobicContact CB-CD2 4.3Å; R477-Y479 HydrophobicContact CB-CE2 3.59Å
480	I	84.6	Confident	80.5	Confident	23 Å²	23	76.8 Å²	76.8	12%	0.118	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.2	178.6	-66.7	164	0	0	0	108.8	I202 F328 L451 L478 I484	I202-I480 HydrophobicContact CG1-CD1 4.3Å; F328-I480 HydrophobicContact CZ-CD1 4.07Å; L451-I480 HydrophobicContact CD1-CD1 3.87Å; L451-I480 HydrophobicContact CD1-CG1 3.29Å; L478-I480 HydrophobicContact CD1-CD1 4Å; L478-I480 HydrophobicContact CD1-CG1 4.28Å; L478-I480 HydrophobicContact CD2-CD1 3.42Å; L478-I480 VanDerWaalsContact CD2-CD1 3.42Å; L478-I480 HydrophobicContact CD2-CG1 4.34Å; L478-I480 HydrophobicContact CG-CD1 3.54Å; L478-I480 HydrophobicContact CG-CG1 3.92Å; I480-I484 HydrophobicContact CG2-CD1 3.74Å; I480-I484 HydrophobicContact CG2-CG1 4.22Å
481	S	77.8	Confident	80.2	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	40%	0.403	S	S	.	.			trans	-63.9	151.9	170.5	60	0	0	0	0	111.3	I468 V483	I468-S481 WeakPolarHBondContact O-CB 3.32Å; I468-S481 PolarHBondContact O-N 3.24Å; I468-S481 PolarHBondContact O-OG 2.81Å; S481-V483 PolarHBondContact O-N 2.94Å
482	N	63.8	Low	80.1	Confident	149 Å²	149	74.3 Å²	74.3	80%	0.797	40%	0.402	S	S	*	.	S	Bend	trans	-69.2	18.2	-177.4	-77.4	-11.3	0	0	0	114.6	I484	N482-I484 PolarHBondContact O-N 3.42Å
483	V	55.8	Low	80	Confident	65 Å²	65	75.7 Å²	75.7	39%	0.394	41%	0.407	S	S	.	.			trans	-75.6	27.9	179.7	-166.4	0	0	0	0	111.7	S481 D485	S481-V483 PolarHBondContact O-N 2.94Å; V483-D485 VanDerWaalsContact C-N 3.27Å; V483-D485 PolarHBondContact O-N 3.19Å
484	I	58.3	Low	79.8	Confident	36 Å²	36	76 Å²	76	19%	0.185	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-86.5	6.2	-175.1	-84.4	179.5	0	0	0	112.1	I480 N482 Q486 I487 T488	I480-I484 HydrophobicContact CG2-CD1 3.74Å; I480-I484 HydrophobicContact CG2-CG1 4.22Å; N482-I484 PolarHBondContact O-N 3.42Å; I484-Q486 PolarHBondContact O-N 3.46Å; I484-I487 HydrophobicContact CB-CD1 4.42Å; I484-I487 HydrophobicContact CB-CG1 4.24Å; I484-I487 HydrophobicContact CD1-CD1 4.3Å; I484-I487 HydrophobicContact CG1-CD1 4.05Å; I484-I487 HydrophobicContact CG1-CG1 4.37Å; I484-I487 HydrophobicContact CG2-CD1 3.86Å; I484-I487 HydrophobicContact CG2-CG1 3.57Å; I484-I487 WeakPolarHBondContact O-CG1 3.3Å; I484-I487 PolarHBondContact O-N 3.29Å; I484-T488 WeakPolarHBondContact O-CG2 3.42Å; I484-T488 PolarHBondContact O-N 3.33Å
485	D	59.2	Low	79.8	Confident	128 Å²	128	69.3 Å²	69.3	68%	0.684	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-52.5	-33	176.9	-66.9	-23.4	0	0	0	112.6	V483 I487 T488	V483-D485 VanDerWaalsContact C-N 3.27Å; V483-D485 PolarHBondContact O-N 3.19Å; D485-I487 VanDerWaalsContact C-N 3.33Å; D485-I487 PolarHBondContact O-N 3.33Å; D485-T488 PolarHBondContact O-N 3.41Å; D485-T488 PolarHBondContact O-OG1 3.11Å
486	Q	63.6	Low	79.7	Confident	110 Å²	110	68.1 Å²	68.1	51%	0.514	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-68.2	-23.9	179.5	-69.4	-175.8	-3	0	0	115.2	I484	I484-Q486 PolarHBondContact O-N 3.46Å
487	I	73.1	Confident	79.6	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.062	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-106.3	1.4	177.4	63.1	174.5	0	0	0	112.3	W208 V300 T326 I484 D485 G489 V490	W208-I487 HydrophobicContact CH2-CB 4.15Å; W208-I487 HydrophobicContact CH2-CD1 3.82Å; W208-I487 HydrophobicContact CH2-CG2 4.35Å; W208-I487 HydrophobicContact CZ2-CB 4.14Å; W208-I487 HydrophobicContact CZ2-CD1 4.32Å; V300-I487 HydrophobicContact CG2-CG2 4.44Å; T326-I487 HydrophobicContact CG2-CG2 3.77Å; I484-I487 HydrophobicContact CB-CD1 4.42Å; I484-I487 HydrophobicContact CB-CG1 4.24Å; I484-I487 HydrophobicContact CD1-CD1 4.3Å; I484-I487 HydrophobicContact CG1-CD1 4.05Å; I484-I487 HydrophobicContact CG1-CG1 4.37Å; I484-I487 HydrophobicContact CG2-CD1 3.86Å; I484-I487 HydrophobicContact CG2-CG1 3.57Å; I484-I487 WeakPolarHBondContact O-CG1 3.3Å; I484-I487 PolarHBondContact O-N 3.29Å; D485-I487 VanDerWaalsContact C-N 3.33Å; D485-I487 PolarHBondContact O-N 3.33Å; I487-G489 PolarHBondContact O-N 2.91Å; I487-V490 PolarHBondContact O-N 3.48Å
488	T	69.4	Low	79.6	Confident	95 Å²	95	61.7 Å²	61.7	58%	0.583	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	126.9	172.4	59.8	0	0	0	0	110.2	I484 D485	I484-T488 WeakPolarHBondContact O-CG2 3.42Å; I484-T488 PolarHBondContact O-N 3.33Å; D485-T488 PolarHBondContact O-N 3.41Å; D485-T488 PolarHBondContact O-OG1 3.11Å
489	G	74.3	Confident	79.7	Confident	84 Å²	84	62.5 Å²	62.5	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-8.2	-178.8	0	0	0	0	0	115.5	I487 S491	I487-G489 PolarHBondContact O-N 2.91Å; G489-S491 PolarHBondContact O-N 3.02Å
490	V	86.9	Confident	79.7	Confident	42 Å²	42	58 Å²	58	26%	0.255	34%	0.337	S	S	.	.			trans	-70	118.6	173	179.1	0	0	0	0	109.7	W208 V273 V300 I487	W208-V490 HydrophobicContact CZ2-CB 4.03Å; W208-V490 HydrophobicContact CZ2-CG1 4.09Å; W208-V490 PolarHBondContact NE1-O 2.83Å; V273-V490 HydrophobicContact CG2-CG1 4.22Å; V300-V490 HydrophobicContact CG2-CB 4.4Å; V300-V490 HydrophobicContact CG2-CG1 3.87Å; V300-V490 HydrophobicContact CG2-CG2 3.91Å; I487-V490 PolarHBondContact O-N 3.48Å
491	S	88.8	Confident	80.1	Confident	71 Å²	71	59 Å²	59	50%	0.497	34%	0.341	S	S	.	.			trans	-109.2	124.9	174.2	-173.4	0	0	0	0	110.1	S272 G489	S272-S491 PolarHBondContact OG-O 2.95Å; G489-S491 PolarHBondContact O-N 3.02Å
492	S	93.1	Very high	80.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.332	C	S	.	.			trans	-130.9	79.1	174.1	-151.2	0	0	0	0	108.7	T209 W210 S272 V273	T209-S492 PolarHBondContact N-O 2.99Å; T209-S492 VanDerWaalsContact N-O 3.11Å; W210-S492 PolarHBondContact N-O 2.61Å; W210-S492 WeakPolarHBondContact O-CB 3.38Å; W210-S492 PolarHBondContact O-OG 3.04Å; S272-S492 PolarHBondContact N-OG 3.07Å; V273-S492 PolarHBondContact N-OG 3.32Å
493	K	91.6	Very high	82.1	Confident	60 Å²	60	54.3 Å²	54.3	26%	0.261	31%	0.308	S	S	.	.			trans	-132.8	141.1	-176.7	-66.9	-174.8	176.3	-176.2	0	110.4	N207 D529	N207-K493 WeakPolarHBondContact O-CE 3.16Å; K493-D529 IonicContact NZ-OD2 3.74Å
494	C	89.7	Confident	83.8	Confident	18 Å²	18	53.4 Å²	53.4	12%	0.122	30%	0.303	C	S	.	.	S	Bend	trans	-70.6	-45.7	-179.7	-174	0	0	0	0	112.2	W210 K270 C513	W210-C494 HydrophobicContact CB-CB 4.14Å; W210-C494 HydrophobicContact CD2-CB 3.75Å; W210-C494 HydrophobicContact CE3-CB 3.97Å; W210-C494 HydrophobicContact CG-CB 3.83Å; K270-C494 VanDerWaalsContact CD-O 3.23Å; K270-C494 WeakPolarHBondContact CD-O 3.49Å; K270-C494 PolarHBondContact NZ-O 3.42Å; C494-C513 HydrophobicContact CB-CB 3.99Å; C494-C513 WeakPolarHBondContact CB-SG 3.31Å; C494-C513 WeakPolarHBondContact SG-CB 3.5Å; C494-C513 CovalentContact SG-SG 2.03Å; C494-C513 PolarHBondContact SG-SG 3.44Å
495	S	88.9	Confident	85.1	Confident	25 Å²	25	57.8 Å²	57.8	18%	0.175	33%	0.331	C	S	.	.			trans	-138.2	148.7	179.7	-63.5	0	0	0	0	110.2	Y514	S495-Y514 WeakPolarHBondContact CB-O 3.34Å; S495-Y514 PolarHBondContact O-OH 2.8Å; S495-Y514 VanDerWaalsContact O-OH 3.11Å; S495-Y514 PolarHBondContact OG-N 3.01Å; S495-Y514 PolarHBondContact OG-O 3.01Å
496	T	89.8	Confident	86.1	Confident	45 Å²	45	54.9 Å²	54.9	28%	0.276	32%	0.316	S	S	.	.			trans	-138.4	124.5	172.4	-54.9	0	0	0	0	107.4	Y498 T528 D529	T496-Y498 HydrophobicContact CG2-CE1 4.43Å; T496-T528 HydrophobicContact CG2-CG2 3.77Å; T496-D529 WeakPolarHBondContact CA-OD1 3.3Å
497	C	90.4	Very high	86.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-97.2	133.9	173	-57.3	0	0	0	0	109.8	Q501 C516 T528 D529	C497-Q501 HydrophobicContact CB-CB 4.19Å; C497-C516 WeakPolarHBondContact CA-SG 3.18Å; C497-C516 HydrophobicContact CB-CB 3.85Å; C497-C516 WeakPolarHBondContact CB-SG 3.17Å; C497-C516 WeakPolarHBondContact SG-CA 3.41Å; C497-C516 WeakPolarHBondContact SG-CB 3.26Å; C497-C516 CovalentContact SG-SG 2.04Å; C497-C516 PolarHBondContact SG-SG 3.31Å; C497-T528 CarbonylContact O-C 3.59Å; C497-T528 WeakPolarHBondContact O-CG2 3.26Å; C497-D529 PolarHBondContact N-OD1 2.88Å; C497-D529 PolarHBondContact O-N 2.74Å
498	Y	91.2	Very high	87.1	Confident	152 Å²	152	63.1 Å²	63.1	60%	0.596	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-88.7	162.9	-178.6	-64.5	-74	0	0	0	111.6	T496 G500 Q501	T496-Y498 HydrophobicContact CG2-CE1 4.43Å; Y498-G500 PolarHBondContact O-N 3.31Å; Y498-Q501 VanDerWaalsContact O-CB 3.3Å; Y498-Q501 WeakPolarHBondContact O-CB 3.35Å; Y498-Q501 PolarHBondContact O-N 2.88Å
499	P	92.8	Very high	87.6	Confident	52 Å²	52	64.8 Å²	64.8	34%	0.338	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	137.2	170.6	-27.6	35.9	0	0	0	111.4	S525	P499-S525 CarbonylContact C-O 3.43Å; P499-S525 WeakPolarHBondContact CA-O 3.37Å
500	G	91.1	Very high	88	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-4.2	-169.1	0	0	0	0	0	114.5	Y498 C519 S525 G546 S547	Y498-G500 PolarHBondContact O-N 3.31Å; G500-C519 PolarHBondContact O-N 2.96Å; G500-C519 PolarHBondContact O-SG 3.4Å; G500-C519 VanDerWaalsContact O-SG 3.4Å; G500-S525 PolarHBondContact N-O 2.71Å; G500-G546 WeakPolarHBondContact CA-O 3.43Å; G500-G546 WeakPolarHBondContact O-CA 3.42Å; G500-S547 WeakPolarHBondContact CA-O 3.31Å
501	Q	93.6	Very high	87.9	Confident	46 Å²	46	67.5 Å²	67.5	22%	0.215	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.4	176.4	-51.8	-176	-44.7	0	0	111.5	C497 Y498 C516 R517 N518 S525	C497-Q501 HydrophobicContact CB-CB 4.19Å; Y498-Q501 VanDerWaalsContact O-CB 3.3Å; Y498-Q501 WeakPolarHBondContact O-CB 3.35Å; Y498-Q501 PolarHBondContact O-N 2.88Å; Q501-C516 HydrophobicContact CB-CB 4.38Å; Q501-R517 CarbonylContact C-O 3.53Å; Q501-R517 VanDerWaalsContact CA-O 3.25Å; Q501-R517 WeakPolarHBondContact CA-O 3.49Å; Q501-N518 WeakPolarHBondContact CG-OD1 3.38Å; Q501-N518 PolarHBondContact NE2-OD1 2.77Å; Q501-S525 WeakPolarHBondContact O-CB 3.49Å; Q501-S525 PolarHBondContact O-OG 2.83Å
502	M	92.3	Very high	87.8	Confident	31 Å²	31	64.5 Å²	64.5	15%	0.153	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.6	170.7	62.9	171.8	-69.9	0	0	111.5	C516 R517 S530	M502-C516 WeakPolarHBondContact O-CA 3.43Å; M502-R517 HydrophobicContact CG-CB 4.46Å; M502-R517 PolarHBondContact N-O 3.02Å; M502-R517 PolarHBondContact O-N 3.05Å; M502-R517 PolarHBondContact SD-NH2 2.92Å; M502-S530 WeakPolarHBondContact CA-O 3.49Å
503	K	91.3	Very high	87.6	Confident	67 Å²	67	64.8 Å²	64.8	29%	0.291	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.8	174	-65.5	177.6	174.2	166.9	0	111.6	Y514 D529 S530	K503-Y514 HydrophobicContact CB-CD2 4.14Å; K503-Y514 HydrophobicContact CB-CG 4.39Å; K503-Y514 HydrophobicContact CD-CD1 4.38Å; K503-Y514 HydrophobicContact CD-CD2 4.14Å; K503-Y514 HydrophobicContact CD-CE1 4.21Å; K503-Y514 HydrophobicContact CD-CE2 3.95Å; K503-Y514 HydrophobicContact CD-CG 4.34Å; K503-Y514 VanDerWaalsContact CE-OH 3.29Å; K503-Y514 WeakPolarHBondContact CE-OH 3.3Å; K503-Y514 HydrophobicContact CG-CD2 3.65Å; K503-Y514 HydrophobicContact CG-CE2 3.69Å; K503-Y514 HydrophobicContact CG-CG 4.18Å; K503-D529 VanDerWaalsContact CE-CB 3.43Å; K503-D529 WeakPolarHBondContact CE-O 3.2Å; K503-D529 PolarHBondContact NZ-O 2.91Å; K503-S530 WeakPolarHBondContact CG-O 3.34Å; K503-S530 PolarHBondContact N-O 2.91Å
504	V	90.4	Very high	87.5	Confident	46 Å²	46	63.6 Å²	63.6	28%	0.279	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.4	173	-176.8	0	0	0	0	109.1	N506 Y514 G515 R517	V504-N506 PolarHBondContact O-N 3.27Å; V504-Y514 WeakPolarHBondContact O-CB 3.35Å; V504-G515 PolarHBondContact N-O 2.86Å; V504-G515 PolarHBondContact O-N 2.99Å; V504-R517 HydrophobicContact CG2-CB 3.58Å
505	T	85.1	Confident	87.5	Confident	128 Å²	128	63.6 Å²	63.6	79%	0.785	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-78.8	119.6	177.6	-48.2	0	0	0	0	109.9
506	N	80.1	Confident	87.7	Confident	67 Å²	67	64.9 Å²	64.9	36%	0.358	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-92.8	131.8	175.2	-68.7	-22.7	0	0	0	109.8	V504 G508 F509	V504-N506 PolarHBondContact O-N 3.27Å; N506-G508 PolarHBondContact O-N 3.01Å; N506-F509 HydrophobicContact CB-CD2 3.52Å; N506-F509 HydrophobicContact CB-CE2 4.06Å; N506-F509 HydrophobicContact CB-CG 4.25Å; N506-F509 PolarHBondContact O-N 2.74Å
507	K	80.3	Confident	87.8	Confident	210 Å²	210	69.4 Å²	69.4	91%	0.913	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	132.6	175.4	-70.4	-174.9	178.5	-179.2	0	109.8
508	G	78.1	Confident	88	Confident	86 Å²	86	72.7 Å²	72.7	89%	0.887	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-7.8	178.9	0	0	0	0	0	115.6	N506	N506-G508 PolarHBondContact O-N 3.01Å
509	F	80	Confident	88.1	Confident	129 Å²	129	65.4 Å²	65.4	57%	0.566	36%	0.362	S	S	*	.	S	Bend	trans	-93.1	149.9	174.7	-73.6	-97.8	0	0	0	111.8	N506 C513	N506-F509 HydrophobicContact CB-CD2 3.52Å; N506-F509 HydrophobicContact CB-CE2 4.06Å; N506-F509 HydrophobicContact CB-CG 4.25Å; N506-F509 PolarHBondContact O-N 2.74Å; F509-C513 HydrophobicContact CB-CB 4.25Å; F509-C513 HydrophobicContact CD1-CB 4.29Å
510	P	83.6	Confident	88.1	Confident	59 Å²	59	65.8 Å²	65.8	38%	0.383	37%	0.366	S	S	.	.			trans	-59.4	153.8	171.5	-22.4	33.3	0	0	0	112.3	W210 C238 C512 C513	W210-P510 HydrophobicContact CZ3-CG 4.34Å; C238-P510 HydrophobicContact CB-CB 4.3Å; C238-P510 VanDerWaalsContact SG-CB 3.58Å; P510-C512 PolarHBondContact O-N 3.23Å; P510-C512 VanDerWaalsContact O-N 3.1Å; P510-C513 PolarHBondContact O-N 2.66Å; P510-C513 VanDerWaalsContact O-O 3.12Å
511	V	84.4	Confident	88	Confident	124 Å²	124	73.4 Å²	73.4	75%	0.752	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.3	-175.2	178.5	0	0	0	0	113.6	C513	V511-C513 VanDerWaalsContact C-N 3.31Å; V511-C513 PolarHBondContact O-N 2.8Å
512	C	87.1	Confident	87.7	Confident	8 Å²	8	74.1 Å²	74.1	5%	0.054	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.1	176.4	54	0	0	0	0	114.4	W210 C238 P510	W210-C512 VanDerWaalsContact CE3-SG 3.56Å; C238-C512 HydrophobicContact CB-CB 4.02Å; C238-C512 WeakPolarHBondContact CB-SG 3.46Å; C238-C512 WeakPolarHBondContact SG-CB 3.33Å; C238-C512 PolarHBondContact SG-N 3.37Å; C238-C512 CovalentContact SG-SG 2.02Å; C238-C512 PolarHBondContact SG-SG 2.88Å; P510-C512 PolarHBondContact O-N 3.23Å; P510-C512 VanDerWaalsContact O-N 3.1Å
513	C	88.9	Confident	87.6	Confident	7 Å²	7	74.9 Å²	74.9	5%	0.047	41%	0.407	C	S	.	.			trans	-109.3	112.5	-178	-65.8	0	0	0	0	109.6	C494 F509 P510 V511	C494-C513 HydrophobicContact CB-CB 3.99Å; C494-C513 WeakPolarHBondContact CB-SG 3.31Å; C494-C513 WeakPolarHBondContact SG-CB 3.5Å; C494-C513 CovalentContact SG-SG 2.03Å; C494-C513 PolarHBondContact SG-SG 3.44Å; F509-C513 HydrophobicContact CB-CB 4.25Å; F509-C513 HydrophobicContact CD1-CB 4.29Å; P510-C513 PolarHBondContact O-N 2.66Å; P510-C513 VanDerWaalsContact O-O 3.12Å; V511-C513 VanDerWaalsContact C-N 3.31Å; V511-C513 PolarHBondContact O-N 2.8Å
514	Y	89.3	Confident	87.7	Confident	35 Å²	35	74.7 Å²	74.7	14%	0.137	41%	0.405	C	S	.	.			trans	-129.3	154.9	-179.2	43.1	-94.7	0	0	0	111.1	S495 K503 V504 D529	S495-Y514 WeakPolarHBondContact CB-O 3.34Å; S495-Y514 PolarHBondContact O-OH 2.8Å; S495-Y514 VanDerWaalsContact O-OH 3.11Å; S495-Y514 PolarHBondContact OG-N 3.01Å; S495-Y514 PolarHBondContact OG-O 3.01Å; K503-Y514 HydrophobicContact CB-CD2 4.14Å; K503-Y514 HydrophobicContact CB-CG 4.39Å; K503-Y514 HydrophobicContact CD-CD1 4.38Å; K503-Y514 HydrophobicContact CD-CD2 4.14Å; K503-Y514 HydrophobicContact CD-CE1 4.21Å; K503-Y514 HydrophobicContact CD-CE2 3.95Å; K503-Y514 HydrophobicContact CD-CG 4.34Å; K503-Y514 VanDerWaalsContact CE-OH 3.29Å; K503-Y514 WeakPolarHBondContact CE-OH 3.3Å; K503-Y514 HydrophobicContact CG-CD2 3.65Å; K503-Y514 HydrophobicContact CG-CE2 3.69Å; K503-Y514 HydrophobicContact CG-CG 4.18Å; V504-Y514 WeakPolarHBondContact O-CB 3.35Å; Y514-D529 WeakPolarHBondContact CE2-OD1 3.18Å; Y514-D529 PolarHBondContact OH-OD1 2.85Å; Y514-D529 PolarHBondContact OH-OD2 2.77Å
515	G	89.8	Confident	87.9	Confident	18 Å²	18	72.5 Å²	72.5	19%	0.186	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	160.7	166.7	0	0	0	0	0	110.9	V504	V504-G515 PolarHBondContact N-O 2.86Å; V504-G515 PolarHBondContact O-N 2.99Å
516	C	91.7	Very high	88.3	Confident	51 Å²	51	71 Å²	71	35%	0.345	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.7	172.5	-57.9	0	0	0	0	108.7	C497 Q501 M502	C497-C516 WeakPolarHBondContact CA-SG 3.18Å; C497-C516 HydrophobicContact CB-CB 3.85Å; C497-C516 WeakPolarHBondContact CB-SG 3.17Å; C497-C516 WeakPolarHBondContact SG-CA 3.41Å; C497-C516 WeakPolarHBondContact SG-CB 3.26Å; C497-C516 CovalentContact SG-SG 2.04Å; C497-C516 PolarHBondContact SG-SG 3.31Å; Q501-C516 HydrophobicContact CB-CB 4.38Å; M502-C516 WeakPolarHBondContact O-CA 3.43Å
517	R	92.7	Very high	88.7	Confident	141 Å²	141	71.2 Å²	71.2	53%	0.532	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.4	175.7	-175.1	179.5	67.4	-179	1.1	109.2	Q501 M502 V504	Q501-R517 CarbonylContact C-O 3.53Å; Q501-R517 VanDerWaalsContact CA-O 3.25Å; Q501-R517 WeakPolarHBondContact CA-O 3.49Å; M502-R517 HydrophobicContact CG-CB 4.46Å; M502-R517 PolarHBondContact N-O 3.02Å; M502-R517 PolarHBondContact O-N 3.05Å; M502-R517 PolarHBondContact SD-NH2 2.92Å; V504-R517 HydrophobicContact CG2-CB 3.58Å
518	N	94.8	Very high	89.1	Confident	68 Å²	68	64.8 Å²	64.8	36%	0.364	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	144.7	175.4	-67.3	-8.6	0	0	0	110.8	Q501 E545	Q501-N518 WeakPolarHBondContact CG-OD1 3.38Å; Q501-N518 PolarHBondContact NE2-OD1 2.77Å; N518-E545 HydrophobicContact CB-CG 4.28Å
519	C	93.3	Very high	89.5	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.6	169.8	-64.8	0	0	0	0	110.3	G500 E523 S525 C533 E545 G546	G500-C519 PolarHBondContact O-N 2.96Å; G500-C519 PolarHBondContact O-SG 3.4Å; G500-C519 VanDerWaalsContact O-SG 3.4Å; C519-E523 HydrophobicContact CB-CB 4.13Å; C519-S525 VanDerWaalsContact SG-CB 3.51Å; C519-C533 WeakPolarHBondContact CA-SG 3.12Å; C519-C533 HydrophobicContact CB-CB 3.7Å; C519-C533 WeakPolarHBondContact CB-SG 3.43Å; C519-C533 WeakPolarHBondContact SG-CB 3.3Å; C519-C533 CovalentContact SG-SG 2.03Å; C519-C533 PolarHBondContact SG-SG 3Å; C519-E545 WeakPolarHBondContact O-CA 3.31Å; C519-E545 VanDerWaalsContact O-CG 3.3Å; C519-E545 WeakPolarHBondContact O-CG 3.42Å; C519-G546 PolarHBondContact O-N 2.89Å
520	S	91.8	Very high	89.8	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-72.4	170.6	-178.8	-59.9	0	0	0	0	111.3	N522 E523	S520-N522 PolarHBondContact O-N 3.46Å; S520-E523 PolarHBondContact N-OE2 3.08Å; S520-E523 WeakPolarHBondContact O-CA 3.4Å; S520-E523 WeakPolarHBondContact O-CB 3.4Å; S520-E523 PolarHBondContact O-N 3.39Å
521	K	89.4	Confident	90.1	Very high	160 Å²	160	57 Å²	57	70%	0.696	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	140.9	172.7	-73.8	-172.6	177.2	-175.1	0	111.3	E523	K521-E523 PolarHBondContact O-N 3.06Å
522	N	87.5	Confident	90.4	Very high	61 Å²	61	56.3 Å²	56.3	33%	0.326	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	13.7	-171.5	-57.3	-50.2	0	0	0	114.8	S520 K535 C536 S543 R553	S520-N522 PolarHBondContact O-N 3.46Å; N522-K535 WeakPolarHBondContact O-CA 3.39Å; N522-C536 PolarHBondContact O-N 3.36Å; N522-S543 WeakPolarHBondContact CA-OG 3.38Å; N522-S543 PolarHBondContact N-O 2.88Å; N522-S543 PolarHBondContact N-OG 2.85Å; N522-R553 PolarHBondContact OD1-NH2 3.17Å
523	E	91.1	Very high	90.7	Very high	48 Å²	48	56.8 Å²	56.8	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	156.1	168.5	-55.3	-178.4	158.9	0	0	111.3	C519 S520 K521 C533 Y534 K535 S543	C519-E523 HydrophobicContact CB-CB 4.13Å; S520-E523 PolarHBondContact N-OE2 3.08Å; S520-E523 WeakPolarHBondContact O-CA 3.4Å; S520-E523 WeakPolarHBondContact O-CB 3.4Å; S520-E523 PolarHBondContact O-N 3.39Å; K521-E523 PolarHBondContact O-N 3.06Å; E523-C533 HydrophobicContact CB-CB 3.89Å; E523-Y534 CarbonylContact C-O 3.57Å; E523-Y534 WeakPolarHBondContact CA-O 3.46Å; E523-K535 HydrophobicContact CG-CG 4.25Å; E523-S543 PolarHBondContact N-OG 2.85Å; E523-S543 PolarHBondContact O-OG 3.05Å
524	Y	92.8	Very high	90.9	Very high	63 Å²	63	61.1 Å²	61.1	25%	0.247	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.9	178.8	78.8	-78	0	0	0	112.2	N526 C533 Y534 S547 S548 C550	Y524-N526 HydrophobicContact CD2-CB 4.35Å; Y524-N526 HydrophobicContact CE2-CB 4.19Å; Y524-C533 CarbonylContact O-C 3.58Å; Y524-C533 WeakPolarHBondContact O-CA 3.02Å; Y524-Y534 WeakPolarHBondContact CD1-O 3.38Å; Y524-Y534 PolarHBondContact N-O 3.28Å; Y524-Y534 PolarHBondContact O-N 3.31Å; Y524-S547 VanDerWaalsContact CA-O 3.27Å; Y524-S547 WeakPolarHBondContact CA-O 3.37Å; Y524-S547 WeakPolarHBondContact CB-O 3.4Å; Y524-S548 WeakPolarHBondContact CD2-O 3.27Å; Y524-C550 WeakPolarHBondContact CD1-SG 3.46Å
525	S	94.8	Very high	91	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.346	C	S	.	.			trans	-139.6	114.7	171.9	169.7	0	0	0	0	108.9	P499 G500 Q501 C519 T527 S530 S547 S548	P499-S525 CarbonylContact C-O 3.43Å; P499-S525 WeakPolarHBondContact CA-O 3.37Å; G500-S525 PolarHBondContact N-O 2.71Å; Q501-S525 WeakPolarHBondContact O-CB 3.49Å; Q501-S525 PolarHBondContact O-OG 2.83Å; C519-S525 VanDerWaalsContact SG-CB 3.51Å; S525-T527 PolarHBondContact OG-O 2.88Å; S525-S530 WeakPolarHBondContact OG-CB 3.32Å; S525-S547 PolarHBondContact N-O 3.43Å; S525-S548 WeakPolarHBondContact O-CA 3.32Å
526	N	92.6	Very high	90.9	Very high	97 Å²	97	66.3 Å²	66.3	52%	0.519	34%	0.339	S	S	.	.			trans	-91.6	-10.2	-175.3	65.3	-14.6	0	0	0	113.8	Y524	Y524-N526 HydrophobicContact CD2-CB 4.35Å; Y524-N526 HydrophobicContact CE2-CB 4.19Å
527	T	88.8	Confident	90.7	Very high	70 Å²	70	67.2 Å²	67.2	43%	0.429	34%	0.341	S	S	.	.	S	Bend	trans	-114.8	141.8	-175.2	44.8	0	0	0	0	110.8	S525	S525-T527 PolarHBondContact OG-O 2.88Å
528	T	88.2	Confident	90	Very high	76 Å²	76	66.5 Å²	66.5	47%	0.466	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	140.9	169.5	-49.5	0	0	0	0	108.8	T496 C497 S530	T496-T528 HydrophobicContact CG2-CG2 3.77Å; C497-T528 CarbonylContact O-C 3.59Å; C497-T528 WeakPolarHBondContact O-CG2 3.26Å; T528-S530 VanDerWaalsContact C-N 3.28Å; T528-S530 PolarHBondContact O-N 3.43Å
529	D	86.6	Confident	88.9	Confident	26 Å²	26	68.1 Å²	68.1	14%	0.139	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	31.9	176.7	-81.9	-31.6	0	0	0	114.3	K493 T496 C497 K503 Y514	K493-D529 IonicContact NZ-OD2 3.74Å; T496-D529 WeakPolarHBondContact CA-OD1 3.3Å; C497-D529 PolarHBondContact N-OD1 2.88Å; C497-D529 PolarHBondContact O-N 2.74Å; K503-D529 VanDerWaalsContact CE-CB 3.43Å; K503-D529 WeakPolarHBondContact CE-O 3.2Å; K503-D529 PolarHBondContact NZ-O 2.91Å; Y514-D529 WeakPolarHBondContact CE2-OD1 3.18Å; Y514-D529 PolarHBondContact OH-OD1 2.85Å; Y514-D529 PolarHBondContact OH-OD2 2.77Å
530	S	87.6	Confident	88	Confident	7 Å²	7	70.6 Å²	70.6	5%	0.049	37%	0.368	C	S	.	.			trans	-63.7	137.9	175	-170.6	0	0	0	0	112.5	M502 K503 S525 T528 Q532	M502-S530 WeakPolarHBondContact CA-O 3.49Å; K503-S530 WeakPolarHBondContact CG-O 3.34Å; K503-S530 PolarHBondContact N-O 2.91Å; S525-S530 WeakPolarHBondContact OG-CB 3.32Å; T528-S530 VanDerWaalsContact C-N 3.28Å; T528-S530 PolarHBondContact O-N 3.43Å; S530-Q532 VanDerWaalsContact C-N 3.33Å; S530-Q532 PolarHBondContact OG-N 2.87Å; S530-Q532 PolarHBondContact OG-O 3.41Å
531	A	88.6	Confident	87.8	Confident	76 Å²	76	70.5 Å²	70.5	63%	0.628	36%	0.361	S	S	*	.	S	Bend	trans	-74.6	-24.2	176.1	0	0	0	0	0	112.9
532	Q	91.9	Very high	87.7	Confident	110 Å²	110	64.3 Å²	64.3	51%	0.514	33%	0.333	S	S	.	.	S	Bend	trans	-149.7	160.1	-176	65	-174.5	-2	0	0	111.8	S530 Y534	S530-Q532 VanDerWaalsContact C-N 3.33Å; S530-Q532 PolarHBondContact OG-N 2.87Å; S530-Q532 PolarHBondContact OG-O 3.41Å; Q532-Y534 HydrophobicContact CG-CE1 4.22Å
533	C	93.5	Very high	87.8	Confident	18 Å²	18	61.6 Å²	61.6	12%	0.122	32%	0.318	C	S	.	.			trans	-93.7	148.3	169.4	-58.5	0	0	0	0	110.2	C519 E523 Y524	C519-C533 WeakPolarHBondContact CA-SG 3.12Å; C519-C533 HydrophobicContact CB-CB 3.7Å; C519-C533 WeakPolarHBondContact CB-SG 3.43Å; C519-C533 WeakPolarHBondContact SG-CB 3.3Å; C519-C533 CovalentContact SG-SG 2.03Å; C519-C533 PolarHBondContact SG-SG 3Å; E523-C533 HydrophobicContact CB-CB 3.89Å; Y524-C533 CarbonylContact O-C 3.58Å; Y524-C533 WeakPolarHBondContact O-CA 3.02Å
534	Y	92.3	Very high	87.7	Confident	99 Å²	99	62.1 Å²	62.1	39%	0.388	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.7	-179.8	-58.6	-80.4	0	0	0	109.9	E523 Y524 Q532	E523-Y534 CarbonylContact C-O 3.57Å; E523-Y534 WeakPolarHBondContact CA-O 3.46Å; Y524-Y534 WeakPolarHBondContact CD1-O 3.38Å; Y524-Y534 PolarHBondContact N-O 3.28Å; Y524-Y534 PolarHBondContact O-N 3.31Å; Q532-Y534 HydrophobicContact CG-CE1 4.22Å
535	K	91.6	Very high	87.6	Confident	153 Å²	153	65.2 Å²	65.2	67%	0.665	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.8	-179.7	-65.8	-175.7	176.3	-171.3	0	111.8	N522 E523	N522-K535 WeakPolarHBondContact O-CA 3.39Å; E523-K535 HydrophobicContact CG-CG 4.25Å
536	C	88	Confident	87.3	Confident	8 Å²	8	66.5 Å²	66.5	5%	0.054	35%	0.353	C	S	.	.			trans	-75.5	158.7	167.5	-60.3	0	0	0	0	111.1	N522 E538 E541 S543 C550	N522-C536 PolarHBondContact O-N 3.36Å; C536-E538 PolarHBondContact O-N 2.66Å; C536-E538 VanDerWaalsContact O-N 3.14Å; C536-E541 HydrophobicContact CB-CB 4.23Å; C536-S543 VanDerWaalsContact SG-CB 3.56Å; C536-S543 PolarHBondContact SG-OG 3.02Å; C536-S543 VanDerWaalsContact SG-OG 3.42Å; C536-C550 WeakPolarHBondContact CA-SG 3.19Å; C536-C550 HydrophobicContact CB-CB 3.84Å; C536-C550 WeakPolarHBondContact CB-SG 3.36Å; C536-C550 WeakPolarHBondContact SG-CB 3.35Å; C536-C550 CovalentContact SG-SG 2.03Å; C536-C550 PolarHBondContact SG-SG 2.59Å
537	D	86.1	Confident	87.2	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	33%	0.334	S	S	.	.			trans	-68	109.4	172.3	173.5	10.5	0	0	0	110.4	N539 T540 E541	D537-N539 PolarHBondContact O-N 3.16Å; D537-N539 PolarHBondContact OD1-N 3.08Å; D537-N539 VanDerWaalsContact OD1-N 3.09Å; D537-T540 WeakPolarHBondContact CB-OG1 3.2Å; D537-T540 VanDerWaalsContact CG-OG1 3.25Å; D537-T540 PolarHBondContact O-N 3.17Å; D537-T540 VanDerWaalsContact O-N 3.15Å; D537-T540 WeakPolarHBondContact OD2-CG2 3.42Å; D537-T540 PolarHBondContact OD2-OG1 2.82Å; D537-E541 CarbonylContact O-C 3.25Å; D537-E541 WeakPolarHBondContact O-CA 3.33Å; D537-E541 PolarHBondContact O-N 3.39Å
538	E	78.5	Confident	87.3	Confident	126 Å²	126	62.1 Å²	62.1	59%	0.589	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.4	-175.2	-64.6	-179.1	174.4	0	0	113.3	C536 R553	C536-E538 PolarHBondContact O-N 2.66Å; C536-E538 VanDerWaalsContact O-N 3.14Å; E538-R553 PolarHBondContact O-NE 3.05Å
539	N	71.4	Confident	87.4	Confident	102 Å²	102	61.7 Å²	61.7	55%	0.545	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-27.2	-175.1	-64	-57.2	0	0	0	114.4	D537 R709	D537-N539 PolarHBondContact O-N 3.16Å; D537-N539 PolarHBondContact OD1-N 3.08Å; D537-N539 VanDerWaalsContact OD1-N 3.09Å; N539-R709 PolarHBondContact O-NH1 2.96Å
540	T	75.9	Confident	87.6	Confident	52 Å²	52	61.9 Å²	61.9	32%	0.319	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-26.8	-170.3	63.8	0	0	0	0	112.8	D537 K552 R553	D537-T540 WeakPolarHBondContact CB-OG1 3.2Å; D537-T540 VanDerWaalsContact CG-OG1 3.25Å; D537-T540 PolarHBondContact O-N 3.17Å; D537-T540 VanDerWaalsContact O-N 3.15Å; D537-T540 WeakPolarHBondContact OD2-CG2 3.42Å; D537-T540 PolarHBondContact OD2-OG1 2.82Å; T540-K552 WeakPolarHBondContact O-CA 3.4Å; T540-R553 PolarHBondContact O-N 3.13Å
541	E	85.6	Confident	87.6	Confident	58 Å²	58	66.3 Å²	66.3	27%	0.271	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.8	-165.2	-72.4	179.1	172.5	0	0	112.7	C536 D537 C550 K551 K552 R553	C536-E541 HydrophobicContact CB-CB 4.23Å; D537-E541 CarbonylContact O-C 3.25Å; D537-E541 WeakPolarHBondContact O-CA 3.33Å; D537-E541 PolarHBondContact O-N 3.39Å; E541-C550 HydrophobicContact CB-CB 4.03Å; E541-C550 HydrophobicContact CG-CB 4.43Å; E541-C550 WeakPolarHBondContact OE2-CB 3.34Å; E541-K551 CarbonylContact C-O 3.58Å; E541-K551 WeakPolarHBondContact CA-O 3.39Å; E541-K552 HydrophobicContact CG-CG 4.38Å; E541-R553 PolarHBondContact O-NE 3.11Å; E541-R553 PolarHBondContact O-NH2 3.35Å
542	Y	87.8	Confident	87.5	Confident	30 Å²	30	70.7 Å²	70.7	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	158.2	-179.8	82.6	-84.1	0	0	0	111.4	C550 K551 R553 E707	Y542-C550 CarbonylContact O-C 3.55Å; Y542-C550 WeakPolarHBondContact O-CA 3.34Å; Y542-K551 HydrophobicContact CD1-CB 4.06Å; Y542-K551 VanDerWaalsContact CD1-O 3.25Å; Y542-K551 WeakPolarHBondContact CD1-O 3.28Å; Y542-K551 HydrophobicContact CE1-CB 3.74Å; Y542-K551 PolarHBondContact N-O 2.86Å; Y542-K551 PolarHBondContact O-N 3.26Å; Y542-R553 HydrophobicContact CD1-CG 3.95Å; Y542-E707 HydrophobicContact CD2-CG 4.36Å; Y542-E707 HydrophobicContact CE1-CB 4.45Å; Y542-E707 HydrophobicContact CE2-CB 4.26Å; Y542-E707 HydrophobicContact CE2-CG 3.74Å
543	S	90.6	Very high	87	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.021	34%	0.339	C	S	.	.			trans	-141.5	145.5	172.5	62.7	0	0	0	0	111.1	N522 E523 C536	N522-S543 WeakPolarHBondContact CA-OG 3.38Å; N522-S543 PolarHBondContact N-O 2.88Å; N522-S543 PolarHBondContact N-OG 2.85Å; E523-S543 PolarHBondContact N-OG 2.85Å; E523-S543 PolarHBondContact O-OG 3.05Å; C536-S543 VanDerWaalsContact SG-CB 3.56Å; C536-S543 PolarHBondContact SG-OG 3.02Å; C536-S543 VanDerWaalsContact SG-OG 3.42Å
544	D	88.5	Confident	86.5	Confident	59 Å²	59	71.5 Å²	71.5	32%	0.316	36%	0.363	S	S	.	.			trans	-78.9	160	172.3	-53.4	-53.6	0	0	0	109.4	G546 S547 K551	D544-G546 PolarHBondContact O-N 3.48Å; D544-S547 WeakPolarHBondContact CA-OG 3.49Å; D544-S547 PolarHBondContact N-OG 2.77Å; D544-S547 VanDerWaalsContact N-OG 3.07Å; D544-S547 WeakPolarHBondContact O-CB 3.36Å; D544-S547 PolarHBondContact O-N 2.84Å; D544-S547 VanDerWaalsContact O-N 3.09Å; D544-S547 PolarHBondContact O-OG 2.91Å; D544-K551 IonicContact OD2-NZ 3.93Å; D544-K551 PolarHBondContact OD2-NZ 3.06Å
545	E	90.3	Very high	86.1	Confident	129 Å²	129	69 Å²	69	60%	0.603	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	132.9	175.3	-169	-177.1	160.7	0	0	110.8	N518 C519 S547	N518-E545 HydrophobicContact CB-CG 4.28Å; C519-E545 WeakPolarHBondContact O-CA 3.31Å; C519-E545 VanDerWaalsContact O-CG 3.3Å; C519-E545 WeakPolarHBondContact O-CG 3.42Å; E545-S547 VanDerWaalsContact C-N 3.32Å
546	G	89.6	Confident	85.7	Confident	26 Å²	26	63.5 Å²	63.5	27%	0.268	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	12.8	-177.4	0	0	0	0	0	115.1	G500 C519 D544	G500-G546 WeakPolarHBondContact CA-O 3.43Å; G500-G546 WeakPolarHBondContact O-CA 3.42Å; C519-G546 PolarHBondContact O-N 2.89Å; D544-G546 PolarHBondContact O-N 3.48Å
547	S	89.3	Confident	85.7	Confident	20 Å²	20	64.9 Å²	64.9	14%	0.14	34%	0.339	C	S	.	.			trans	-74.2	140.7	179.2	-63.3	0	0	0	0	112.8	G500 Y524 S525 D544 E545	G500-S547 WeakPolarHBondContact CA-O 3.31Å; Y524-S547 VanDerWaalsContact CA-O 3.27Å; Y524-S547 WeakPolarHBondContact CA-O 3.37Å; Y524-S547 WeakPolarHBondContact CB-O 3.4Å; S525-S547 PolarHBondContact N-O 3.43Å; D544-S547 WeakPolarHBondContact CA-OG 3.49Å; D544-S547 PolarHBondContact N-OG 2.77Å; D544-S547 VanDerWaalsContact N-OG 3.07Å; D544-S547 WeakPolarHBondContact O-CB 3.36Å; D544-S547 PolarHBondContact O-N 2.84Å; D544-S547 VanDerWaalsContact O-N 3.09Å; D544-S547 PolarHBondContact O-OG 2.91Å; E545-S547 VanDerWaalsContact C-N 3.32Å
548	S	91.4	Very high	85.7	Confident	56 Å²	56	61.8 Å²	61.8	39%	0.392	32%	0.323	S	S	.	.	S	Bend	trans	-86.3	-9	173.3	59.8	0	0	0	0	114.1	Y524 S525	Y524-S548 WeakPolarHBondContact CD2-O 3.27Å; S525-S548 WeakPolarHBondContact O-CA 3.32Å
549	S	90.7	Very high	86.1	Confident	67 Å²	67	60.8 Å²	60.8	47%	0.469	32%	0.316	S	S	.	.	S	Bend	trans	-153.8	164.4	-178	57.9	0	0	0	0	112
550	C	91.1	Very high	86.8	Confident	30 Å²	30	62.5 Å²	62.5	20%	0.203	32%	0.315	C	S	.	.			trans	-93.5	145.9	175.8	-54.4	0	0	0	0	111.4	Y524 C536 E541 Y542	Y524-C550 WeakPolarHBondContact CD1-SG 3.46Å; C536-C550 WeakPolarHBondContact CA-SG 3.19Å; C536-C550 HydrophobicContact CB-CB 3.84Å; C536-C550 WeakPolarHBondContact CB-SG 3.36Å; C536-C550 WeakPolarHBondContact SG-CB 3.35Å; C536-C550 CovalentContact SG-SG 2.03Å; C536-C550 PolarHBondContact SG-SG 2.59Å; E541-C550 HydrophobicContact CB-CB 4.03Å; E541-C550 HydrophobicContact CG-CB 4.43Å; E541-C550 WeakPolarHBondContact OE2-CB 3.34Å; Y542-C550 CarbonylContact O-C 3.55Å; Y542-C550 WeakPolarHBondContact O-CA 3.34Å
551	K	87.8	Confident	87.3	Confident	99 Å²	99	63 Å²	63	43%	0.43	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	149.2	176.2	-62.5	172.8	-171.9	161.5	0	109.9	E541 Y542 D544	E541-K551 CarbonylContact C-O 3.58Å; E541-K551 WeakPolarHBondContact CA-O 3.39Å; Y542-K551 HydrophobicContact CD1-CB 4.06Å; Y542-K551 VanDerWaalsContact CD1-O 3.25Å; Y542-K551 WeakPolarHBondContact CD1-O 3.28Å; Y542-K551 HydrophobicContact CE1-CB 3.74Å; Y542-K551 PolarHBondContact N-O 2.86Å; Y542-K551 PolarHBondContact O-N 3.26Å; D544-K551 IonicContact OD2-NZ 3.93Å; D544-K551 PolarHBondContact OD2-NZ 3.06Å
552	K	85.8	Confident	87.4	Confident	169 Å²	169	61.2 Å²	61.2	74%	0.735	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.8	177.5	-67.5	-175.9	179.1	179.8	0	111.9	T540 E541	T540-K552 WeakPolarHBondContact O-CA 3.4Å; E541-K552 HydrophobicContact CG-CG 4.38Å
553	R	82.2	Confident	87.5	Confident	27 Å²	27	64.1 Å²	64.1	10%	0.102	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.6	149	175.9	-62.2	-171.4	-169.6	-67.5	-8.1	112	N522 E538 T540 E541 Y542 D706 E707 R709	N522-R553 PolarHBondContact OD1-NH2 3.17Å; E538-R553 PolarHBondContact O-NE 3.05Å; T540-R553 PolarHBondContact O-N 3.13Å; E541-R553 PolarHBondContact O-NE 3.11Å; E541-R553 PolarHBondContact O-NH2 3.35Å; Y542-R553 HydrophobicContact CD1-CG 3.95Å; R553-D706 PolarHBondContact NH1-O 3.02Å; R553-E707 WeakPolarHBondContact CA-O 3.35Å; R553-R709 HydrophobicContact CB-CB 4.3Å
554	L	81.8	Confident	87.4	Confident	117 Å²	117	71.3 Å²	71.3	61%	0.613	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.6	179.2	-71.6	168.1	0	0	0	112.4	E707 K708 R709	L554-E707 PolarHBondContact N-O 3.33Å; L554-K708 HydrophobicContact CB-CG 4.49Å; L554-K708 CarbonylContact O-C 3.35Å; L554-K708 VanDerWaalsContact O-CA 3.25Å; L554-K708 WeakPolarHBondContact O-CA 3.14Å; L554-R709 PolarHBondContact O-N 3.25Å
555	D	83.3	Confident	87.5	Confident	48 Å²	48	68.5 Å²	68.5	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.6	-179.2	-72	-24	0	0	0	112.7	F557 R623 R709 W711	D555-F557 HydrophobicContact CB-CD1 4.41Å; D555-F557 HydrophobicContact CB-CE1 4.28Å; D555-R623 IonicContact OD2-NH2 3.61Å; D555-R623 PolarHBondContact OD2-NH2 3.38Å; D555-R709 IonicContact OD1-CZ 2.75Å; D555-R709 VanDerWaalsContact OD1-CZ 3.31Å; D555-R709 IonicContact OD1-NE 3.7Å; D555-R709 PolarHBondContact OD1-NE 3.43Å; D555-R709 IonicContact OD1-NH2 3.31Å; D555-R709 PolarHBondContact OD1-NH2 2.94Å; D555-R709 IonicContact OD2-NH2 3.42Å; D555-W711 PolarHBondContact OD1-NE1 2.78Å
556	L	84.9	Confident	87.6	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.188	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.3	177.2	-168.6	73	0	0	0	110.5	R709 L710 W711 E779	L556-R709 PolarHBondContact N-O 3.3Å; L556-L710 HydrophobicContact CB-CD1 4.44Å; L556-L710 HydrophobicContact CD2-CD1 4.18Å; L556-L710 HydrophobicContact CG-CD1 4.32Å; L556-L710 WeakPolarHBondContact O-CA 3.4Å; L556-W711 PolarHBondContact O-N 2.86Å; L556-E779 VanDerWaalsContact CD1-OE2 3.29Å; L556-E779 WeakPolarHBondContact CD1-OE2 3.4Å; L556-E779 HydrophobicContact CG-CB 4.34Å
557	F	87.3	Confident	87.8	Confident	37 Å²	37	68.9 Å²	68.9	16%	0.162	36%	0.36	C	S	.	.	S	Bend	trans	-169.1	164.9	178.9	57.5	-89.3	0	0	0	110.1	D555 K559 R623 W711	D555-F557 HydrophobicContact CB-CD1 4.41Å; D555-F557 HydrophobicContact CB-CE1 4.28Å; F557-K559 HydrophobicContact CD2-CG 4.11Å; F557-K559 HydrophobicContact CE2-CG 3.77Å; F557-K559 HydrophobicContact CZ-CG 4.16Å; F557-K559 WeakPolarHBondContact O-CG 3.23Å; F557-K559 PolarHBondContact O-N 3.05Å; F557-R623 HydrophobicContact CE2-CB 4.14Å; F557-R623 HydrophobicContact CZ-CB 4.28Å; F557-W711 HydrophobicContact CB-CB 4.3Å
558	L	86.3	Confident	88	Confident	7 Å²	7	69 Å²	69	4%	0.037	36%	0.359	C	S	.	.			trans	-65.1	98.9	176.5	-170.2	65.5	0	0	0	111.5	D562 H565 A622 Y780 A783 M786	L558-D562 HydrophobicContact CD1-CB 4.29Å; L558-H565 HydrophobicContact CD1-CB 4.05Å; L558-H565 HydrophobicContact CD2-CB 4.22Å; L558-H565 HydrophobicContact CG-CB 4Å; L558-A622 VanDerWaalsContact O-CA 3.31Å; L558-A622 WeakPolarHBondContact O-CA 3.46Å; L558-A622 PolarHBondContact O-N 3.47Å; L558-A622 VanDerWaalsContact O-N 3.09Å; L558-Y780 HydrophobicContact CD1-CD1 4.09Å; L558-Y780 HydrophobicContact CD1-CE1 4.39Å; L558-A783 HydrophobicContact CD2-CB 4.49Å; L558-M786 HydrophobicContact CD2-SD 4.48Å
559	K	86.9	Confident	88.2	Confident	104 Å²	104	68.2 Å²	68.2	45%	0.452	35%	0.35	S	S	.	.			trans	-76	156.6	-176.1	-66.7	177.3	-173.8	174	0	111.4	F557 G561 D562 H565	F557-K559 HydrophobicContact CD2-CG 4.11Å; F557-K559 HydrophobicContact CE2-CG 3.77Å; F557-K559 HydrophobicContact CZ-CG 4.16Å; F557-K559 WeakPolarHBondContact O-CG 3.23Å; F557-K559 PolarHBondContact O-N 3.05Å; K559-G561 PolarHBondContact O-N 3.1Å; K559-D562 WeakPolarHBondContact O-CB 3.31Å; K559-D562 PolarHBondContact O-N 3Å; K559-H565 PolarHBondContact O-ND1 2.84Å
560	W	86.2	Confident	88.4	Confident	138 Å²	138	67.6 Å²	67.6	52%	0.523	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.5	172.3	-72	113.1	0	0	0	113	D562 H565 I566 L569 A622	W560-D562 VanDerWaalsContact C-N 3.27Å; W560-D562 PolarHBondContact O-N 2.83Å; W560-H565 AromaticContact CE3-CE1 3.42Å; W560-H565 VanDerWaalsContact CE3-CE1 3.42Å; W560-H565 AromaticContact CZ3-CE1 3.67Å; W560-I566 WeakPolarHBondContact O-CG1 3.48Å; W560-L569 HydrophobicContact CE3-CD1 3.76Å; W560-L569 HydrophobicContact CZ3-CD1 3.59Å; W560-L569 HydrophobicContact CZ3-CD2 4.45Å; W560-A622 HydrophobicContact CD2-CB 4.14Å; W560-A622 HydrophobicContact CG-CB 4.35Å; W560-A622 HydrophobicContact CZ2-CB 3.68Å
561	G	85.3	Confident	88.6	Confident	64 Å²	64	71.4 Å²	71.4	66%	0.66	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	3.2	179.4	0	0	0	0	0	114.7	K559	K559-G561 PolarHBondContact O-N 3.1Å
562	D	87.8	Confident	89	Confident	20 Å²	20	67 Å²	67	11%	0.107	34%	0.344	C	S	.	.			trans	-72.7	129.4	179.4	-168.8	-64.4	0	0	0	110.4	L558 K559 W560 Y564 H565 I566 Y780	L558-D562 HydrophobicContact CD1-CB 4.29Å; K559-D562 WeakPolarHBondContact O-CB 3.31Å; K559-D562 PolarHBondContact O-N 3Å; W560-D562 VanDerWaalsContact C-N 3.27Å; W560-D562 PolarHBondContact O-N 2.83Å; D562-Y564 VanDerWaalsContact C-N 3.25Å; D562-Y564 PolarHBondContact O-N 2.94Å; D562-Y564 WeakPolarHBondContact OD1-CB 3.34Å; D562-Y564 WeakPolarHBondContact OD1-CD2 3.42Å; D562-Y564 PolarHBondContact OD1-N 2.9Å; D562-H565 HydrophobicContact CB-CB 4.11Å; D562-H565 PolarHBondContact O-N 2.79Å; D562-H565 VanDerWaalsContact O-N 3.09Å; D562-I566 WeakPolarHBondContact O-CG1 3.42Å; D562-I566 PolarHBondContact O-N 3.05Å; D562-Y780 WeakPolarHBondContact OD2-CE1 3.47Å
563	P	90.5	Very high	89.5	Confident	90 Å²	90	62.3 Å²	62.3	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-51.9	-41	179.9	-27.1	34.7	0	0	0	113.7	I566 T567	P563-I566 PolarHBondContact O-N 2.84Å; P563-T567 PolarHBondContact O-N 3.1Å; P563-T567 PolarHBondContact O-OG1 2.81Å
564	Y	88.1	Confident	90.1	Very high	155 Å²	155	65.4 Å²	65.4	61%	0.608	35%	0.351	S	S	*	.	H	α-helix	trans	-66.6	-40.6	-179.6	-68	-79.5	0	0	0	111.8	D562 L568 Y780	D562-Y564 VanDerWaalsContact C-N 3.25Å; D562-Y564 PolarHBondContact O-N 2.94Å; D562-Y564 WeakPolarHBondContact OD1-CB 3.34Å; D562-Y564 WeakPolarHBondContact OD1-CD2 3.42Å; D562-Y564 PolarHBondContact OD1-N 2.9Å; Y564-L568 WeakPolarHBondContact O-CG 3.49Å; Y564-L568 PolarHBondContact O-N 2.84Å; Y564-Y780 HydrophobicContact CD2-CD1 4.18Å; Y564-Y780 AromaticContact CD2-CE1 3.58Å; Y564-Y780 HydrophobicContact CD2-CE1 3.58Å; Y564-Y780 HydrophobicContact CE2-CE1 4.19Å; Y564-Y780 HydrophobicContact CG-CD1 4.49Å; Y564-Y780 HydrophobicContact CG-CE1 4.28Å
565	H	91.8	Very high	90.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-41.3	178.3	-171.6	-157.9	0	0	0	111.5	L558 K559 W560 D562 T567 L568 L569	L558-H565 HydrophobicContact CD1-CB 4.05Å; L558-H565 HydrophobicContact CD2-CB 4.22Å; L558-H565 HydrophobicContact CG-CB 4Å; K559-H565 PolarHBondContact O-ND1 2.84Å; W560-H565 AromaticContact CE3-CE1 3.42Å; W560-H565 VanDerWaalsContact CE3-CE1 3.42Å; W560-H565 AromaticContact CZ3-CE1 3.67Å; D562-H565 HydrophobicContact CB-CB 4.11Å; D562-H565 PolarHBondContact O-N 2.79Å; D562-H565 VanDerWaalsContact O-N 3.09Å; H565-T567 PolarHBondContact O-N 3.19Å; H565-L568 PolarHBondContact O-N 3.3Å; H565-L569 WeakPolarHBondContact O-CG 3.3Å; H565-L569 PolarHBondContact O-N 2.91Å
566	I	92.2	Very high	91.4	Very high	88 Å²	88	58.5 Å²	58.5	45%	0.451	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-46.5	176.1	-66.6	166.5	0	0	0	110.7	W560 D562 P563 L568 L569 A570	W560-I566 WeakPolarHBondContact O-CG1 3.48Å; D562-I566 WeakPolarHBondContact O-CG1 3.42Å; D562-I566 PolarHBondContact O-N 3.05Å; P563-I566 PolarHBondContact O-N 2.84Å; I566-L568 VanDerWaalsContact C-N 3.35Å; I566-L568 PolarHBondContact O-N 3.04Å; I566-L569 PolarHBondContact O-N 3.31Å; I566-A570 PolarHBondContact O-N 3.13Å
567	T	93.1	Very high	91.9	Very high	74 Å²	74	62.8 Å²	62.8	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-43.6	178.4	-58.7	0	0	0	0	111.9	P563 H565 A570 F571	P563-T567 PolarHBondContact O-N 3.1Å; P563-T567 PolarHBondContact O-OG1 2.81Å; H565-T567 PolarHBondContact O-N 3.19Å; T567-A570 WeakPolarHBondContact O-CB 3.41Å; T567-A570 PolarHBondContact O-N 2.88Å; T567-F571 HydrophobicContact CG2-CD2 3.86Å; T567-F571 HydrophobicContact CG2-CE2 3.61Å; T567-F571 VanDerWaalsContact O-CD2 3.24Å; T567-F571 WeakPolarHBondContact O-CD2 3.09Å; T567-F571 PolarHBondContact O-N 3.33Å; T567-F571 VanDerWaalsContact O-N 3.1Å
568	L	93.6	Very high	92.2	Very high	23 Å²	23	64 Å²	64	12%	0.12	35%	0.345	C	S	.	.	H	α-helix	trans	-64.9	-40.6	178.7	-74.1	168.2	0	0	0	112.9	Y564 H565 I566 A570 F571 T572 A783 M786 V787	Y564-L568 WeakPolarHBondContact O-CG 3.49Å; Y564-L568 PolarHBondContact O-N 2.84Å; H565-L568 PolarHBondContact O-N 3.3Å; I566-L568 VanDerWaalsContact C-N 3.35Å; I566-L568 PolarHBondContact O-N 3.04Å; L568-A570 VanDerWaalsContact C-N 3.34Å; L568-F571 PolarHBondContact O-N 3.36Å; L568-T572 WeakPolarHBondContact O-CB 3.3Å; L568-T572 PolarHBondContact O-N 3.31Å; L568-T572 PolarHBondContact O-OG1 2.99Å; L568-A783 HydrophobicContact CD1-CB 3.87Å; L568-M786 HydrophobicContact CB-CE 4.14Å; L568-M786 HydrophobicContact CD1-CB 4.16Å; L568-M786 HydrophobicContact CD1-CE 4.4Å; L568-M786 HydrophobicContact CD1-SD 4.2Å; L568-V787 HydrophobicContact CD1-CG2 4.48Å; L568-V787 HydrophobicContact CD2-CG2 3.59Å
569	L	94.7	Very high	92.6	Very high	39 Å²	39	63.7 Å²	63.7	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-37.5	175.8	-68.2	171.8	0	0	0	111.7	W560 H565 I566 T572 S573 P618	W560-L569 HydrophobicContact CE3-CD1 3.76Å; W560-L569 HydrophobicContact CZ3-CD1 3.59Å; W560-L569 HydrophobicContact CZ3-CD2 4.45Å; H565-L569 WeakPolarHBondContact O-CG 3.3Å; H565-L569 PolarHBondContact O-N 2.91Å; I566-L569 PolarHBondContact O-N 3.31Å; L569-T572 PolarHBondContact O-N 2.88Å; L569-S573 WeakPolarHBondContact O-CB 3.49Å; L569-S573 PolarHBondContact O-N 3.22Å; L569-S573 PolarHBondContact O-OG 2.87Å; L569-P618 HydrophobicContact CD2-CB 4.16Å; L569-P618 HydrophobicContact CD2-CG 4.08Å
570	A	95.3	Very high	93	Very high	54 Å²	54	62.2 Å²	62.2	45%	0.446	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-50.2	174.8	0	0	0	0	0	111.3	I566 T567 L568 T572 S573 L574	I566-A570 PolarHBondContact O-N 3.13Å; T567-A570 WeakPolarHBondContact O-CB 3.41Å; T567-A570 PolarHBondContact O-N 2.88Å; L568-A570 VanDerWaalsContact C-N 3.34Å; A570-T572 VanDerWaalsContact C-N 3.3Å; A570-T572 PolarHBondContact O-N 2.92Å; A570-S573 PolarHBondContact O-N 3.39Å; A570-S573 PolarHBondContact O-OG 3.03Å; A570-L574 PolarHBondContact O-N 2.92Å
571	F	95.7	Very high	93.3	Very high	111 Å²	111	59.5 Å²	59.5	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-36.6	175.5	-78.9	-67.4	0	0	0	113.1	T567 L568 G575 Y794	T567-F571 HydrophobicContact CG2-CD2 3.86Å; T567-F571 HydrophobicContact CG2-CE2 3.61Å; T567-F571 VanDerWaalsContact O-CD2 3.24Å; T567-F571 WeakPolarHBondContact O-CD2 3.09Å; T567-F571 PolarHBondContact O-N 3.33Å; T567-F571 VanDerWaalsContact O-N 3.1Å; L568-F571 PolarHBondContact O-N 3.36Å; F571-G575 PolarHBondContact O-N 3.02Å; F571-G575 VanDerWaalsContact O-N 3.09Å; F571-Y794 PolarHBondContact O-OH 3.42Å
572	T	96.1	Very high	93.6	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.043	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-45.6	176.1	-58.3	0	0	0	0	111.2	L568 L569 A570 L574 G575 A576 F614 V617	L568-T572 WeakPolarHBondContact O-CB 3.3Å; L568-T572 PolarHBondContact O-N 3.31Å; L568-T572 PolarHBondContact O-OG1 2.99Å; L569-T572 PolarHBondContact O-N 2.88Å; A570-T572 VanDerWaalsContact C-N 3.3Å; A570-T572 PolarHBondContact O-N 2.92Å; T572-L574 PolarHBondContact O-N 3.45Å; T572-G575 PolarHBondContact O-N 3.48Å; T572-A576 PolarHBondContact O-N 2.89Å; T572-F614 HydrophobicContact CG2-CB 4.08Å; T572-F614 HydrophobicContact CG2-CD1 4.17Å; T572-F614 WeakPolarHBondContact CG2-O 3.46Å; T572-V617 HydrophobicContact CG2-CB 3.85Å; T572-V617 HydrophobicContact CG2-CG1 4.22Å; T572-V617 HydrophobicContact CG2-CG2 4.25Å; T572-V617 WeakPolarHBondContact OG1-CG1 3.41Å
573	S	95.4	Very high	93.7	Very high	69 Å²	69	57.7 Å²	57.7	48%	0.483	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-41	179.3	71.9	0	0	0	0	112.1	L569 A570 G575 A576 M577	L569-S573 WeakPolarHBondContact O-CB 3.49Å; L569-S573 PolarHBondContact O-N 3.22Å; L569-S573 PolarHBondContact O-OG 2.87Å; A570-S573 PolarHBondContact O-N 3.39Å; A570-S573 PolarHBondContact O-OG 3.03Å; S573-G575 VanDerWaalsContact C-N 3.31Å; S573-G575 PolarHBondContact O-N 3.23Å; S573-A576 PolarHBondContact O-N 3.49Å; S573-M577 WeakPolarHBondContact O-CB 3.39Å; S573-M577 VanDerWaalsContact O-CG 3.28Å; S573-M577 WeakPolarHBondContact O-CG 3.45Å; S573-M577 PolarHBondContact O-N 3.32Å
574	L	96.6	Very high	93.7	Very high	92 Å²	92	57.8 Å²	57.8	48%	0.482	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-42.5	174.2	-179.2	63.3	0	0	0	111.1	A570 T572 M577 L578	A570-L574 PolarHBondContact O-N 2.92Å; T572-L574 PolarHBondContact O-N 3.45Å; L574-M577 PolarHBondContact O-N 3.34Å; L574-L578 HydrophobicContact CD1-CD1 4.38Å; L574-L578 HydrophobicContact CD1-CG 4.43Å; L574-L578 HydrophobicContact CG-CD1 4.13Å; L574-L578 WeakPolarHBondContact O-CB 3.24Å; L574-L578 VanDerWaalsContact O-CG 3.26Å; L574-L578 WeakPolarHBondContact O-CG 3.27Å; L574-L578 PolarHBondContact O-N 2.88Å
575	G	94.9	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-42.7	179.2	0	0	0	0	0	112.5	F571 T572 S573 L578 T579 Y794	F571-G575 PolarHBondContact O-N 3.02Å; F571-G575 VanDerWaalsContact O-N 3.09Å; T572-G575 PolarHBondContact O-N 3.48Å; S573-G575 VanDerWaalsContact C-N 3.31Å; S573-G575 PolarHBondContact O-N 3.23Å; G575-L578 PolarHBondContact O-N 3.07Å; G575-T579 WeakPolarHBondContact O-CB 3.45Å; G575-T579 PolarHBondContact O-N 3.46Å; G575-T579 PolarHBondContact O-OG1 2.9Å; G575-Y794 VanDerWaalsContact CA-OH 3.22Å; G575-Y794 WeakPolarHBondContact CA-OH 3.42Å; G575-Y794 PolarHBondContact N-OH 3.23Å
576	A	96.2	Very high	93.5	Very high	21 Å²	21	52 Å²	52	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-44.7	173.9	0	0	0	0	0	111.8	T572 S573 T579 L580 L611 F614	T572-A576 PolarHBondContact O-N 2.89Å; S573-A576 PolarHBondContact O-N 3.49Å; A576-T579 PolarHBondContact O-N 2.79Å; A576-L580 WeakPolarHBondContact O-CG 3.16Å; A576-L580 PolarHBondContact O-N 2.95Å; A576-L611 HydrophobicContact CB-CD1 4.04Å; A576-F614 HydrophobicContact CB-CB 4.08Å
577	M	95.9	Very high	93.3	Very high	125 Å²	125	52.2 Å²	52.2	62%	0.616	30%	0.295	S	S	*	.	H	α-helix	trans	-61.9	-44.2	176.7	-74.7	-63.3	-145.3	0	0	112.5	S573 L574 T579 L580 T581	S573-M577 WeakPolarHBondContact O-CB 3.39Å; S573-M577 VanDerWaalsContact O-CG 3.28Å; S573-M577 WeakPolarHBondContact O-CG 3.45Å; S573-M577 PolarHBondContact O-N 3.32Å; L574-M577 PolarHBondContact O-N 3.34Å; M577-T579 VanDerWaalsContact C-N 3.34Å; M577-L580 PolarHBondContact O-N 2.85Å; M577-T581 WeakPolarHBondContact O-CB 3.22Å; M577-T581 PolarHBondContact O-N 2.7Å; M577-T581 PolarHBondContact O-OG1 3.11Å
578	L	94.4	Very high	93	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-41.9	175.2	-71.5	171.1	0	0	0	111.1	L574 G575 T581 V582 Y794 L797 F798	L574-L578 HydrophobicContact CD1-CD1 4.38Å; L574-L578 HydrophobicContact CD1-CG 4.43Å; L574-L578 HydrophobicContact CG-CD1 4.13Å; L574-L578 WeakPolarHBondContact O-CB 3.24Å; L574-L578 VanDerWaalsContact O-CG 3.26Å; L574-L578 WeakPolarHBondContact O-CG 3.27Å; L574-L578 PolarHBondContact O-N 2.88Å; G575-L578 PolarHBondContact O-N 3.07Å; L578-T581 WeakPolarHBondContact O-CB 3.3Å; L578-T581 PolarHBondContact O-N 2.94Å; L578-V582 VanDerWaalsContact O-CG2 3.32Å; L578-V582 WeakPolarHBondContact O-CG2 3.02Å; L578-V582 PolarHBondContact O-N 2.72Å; L578-Y794 HydrophobicContact CD1-CE1 4.25Å; L578-L797 HydrophobicContact CB-CD2 3.96Å; L578-F798 HydrophobicContact CD1-CE1 4.48Å; L578-F798 HydrophobicContact CD1-CZ 4.14Å
579	T	94.5	Very high	92.5	Very high	1 Å²	1	58 Å²	58	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-45.5	178	-54.3	0	0	0	0	111.6	G575 A576 M577 T581 V582 D583 L607 L610 L611 F614	G575-T579 WeakPolarHBondContact O-CB 3.45Å; G575-T579 PolarHBondContact O-N 3.46Å; G575-T579 PolarHBondContact O-OG1 2.9Å; A576-T579 PolarHBondContact O-N 2.79Å; M577-T579 VanDerWaalsContact C-N 3.34Å; T579-T581 VanDerWaalsContact C-N 3.32Å; T579-T581 PolarHBondContact O-N 3.33Å; T579-V582 PolarHBondContact O-N 3.38Å; T579-D583 WeakPolarHBondContact O-CB 3.22Å; T579-D583 PolarHBondContact O-N 3.28Å; T579-L607 HydrophobicContact CG2-CB 4.49Å; T579-L607 HydrophobicContact CG2-CD2 4.12Å; T579-L607 WeakPolarHBondContact CG2-O 3.14Å; T579-L610 HydrophobicContact CG2-CB 3.99Å; T579-L611 HydrophobicContact CG2-CB 4.39Å; T579-F614 WeakPolarHBondContact OG1-CE2 3.48Å
580	L	94.4	Very high	91.9	Very high	74 Å²	74	60 Å²	60	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-42.8	174.5	-75.9	171.1	0	0	0	111.8	A576 M577 V582 D583 V584 L611	A576-L580 WeakPolarHBondContact O-CG 3.16Å; A576-L580 PolarHBondContact O-N 2.95Å; M577-L580 PolarHBondContact O-N 2.85Å; L580-V582 VanDerWaalsContact C-N 3.34Å; L580-V582 PolarHBondContact O-N 2.95Å; L580-D583 PolarHBondContact O-N 2.87Å; L580-V584 VanDerWaalsContact O-CG2 3.31Å; L580-V584 WeakPolarHBondContact O-CG2 3.39Å; L580-V584 PolarHBondContact O-N 3.26Å; L580-L611 HydrophobicContact CD1-CD1 4.34Å; L580-L611 HydrophobicContact CD2-CD1 4.1Å; L580-L611 HydrophobicContact CD2-CD2 3.68Å; L580-L611 HydrophobicContact CG-CD1 3.88Å; L580-L611 HydrophobicContact CG-CD2 4.39Å
581	T	92.4	Very high	91.1	Very high	80 Å²	80	62.9 Å²	62.9	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-45.3	177.9	-55.9	0	0	0	0	110.9	M577 L578 T579 I585	M577-T581 WeakPolarHBondContact O-CB 3.22Å; M577-T581 PolarHBondContact O-N 2.7Å; M577-T581 PolarHBondContact O-OG1 3.11Å; L578-T581 WeakPolarHBondContact O-CB 3.3Å; L578-T581 PolarHBondContact O-N 2.94Å; T579-T581 VanDerWaalsContact C-N 3.32Å; T579-T581 PolarHBondContact O-N 3.33Å; T581-I585 HydrophobicContact CG2-CD1 4.14Å; T581-I585 WeakPolarHBondContact O-CD1 3.43Å; T581-I585 VanDerWaalsContact O-CG1 3.26Å; T581-I585 WeakPolarHBondContact O-CG1 3.3Å; T581-I585 PolarHBondContact O-N 3.47Å; T581-I585 VanDerWaalsContact O-N 3.09Å
582	V	91.8	Very high	90.4	Very high	20 Å²	20	58.7 Å²	58.7	12%	0.121	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-42.9	176.5	173.4	0	0	0	0	111.3	L578 T579 L580 I585 F586 L607 L797 F801	L578-V582 VanDerWaalsContact O-CG2 3.32Å; L578-V582 WeakPolarHBondContact O-CG2 3.02Å; L578-V582 PolarHBondContact O-N 2.72Å; T579-V582 PolarHBondContact O-N 3.38Å; L580-V582 VanDerWaalsContact C-N 3.34Å; L580-V582 PolarHBondContact O-N 2.95Å; V582-I585 PolarHBondContact O-N 3.03Å; V582-F586 HydrophobicContact CG1-CD2 3.93Å; V582-F586 HydrophobicContact CG1-CE2 3.94Å; V582-F586 VanDerWaalsContact O-CD2 3.28Å; V582-F586 WeakPolarHBondContact O-CD2 3.5Å; V582-F586 PolarHBondContact O-N 3.12Å; V582-L607 HydrophobicContact CB-CD2 4.21Å; V582-L607 HydrophobicContact CG1-CD1 3.89Å; V582-L607 HydrophobicContact CG1-CD2 3.67Å; V582-L607 HydrophobicContact CG1-CG 4.47Å; V582-L797 HydrophobicContact CG2-CD1 4.39Å; V582-F801 HydrophobicContact CG1-CB 3.88Å; V582-F801 HydrophobicContact CG1-CD1 4.02Å; V582-F801 HydrophobicContact CG1-CG 4.07Å
583	D	90.1	Very high	89.3	Confident	27 Å²	27	60 Å²	60	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-44.3	179.1	-162.6	44	0	0	0	112.1	T579 L580 I585 F586 L587 L607	T579-D583 WeakPolarHBondContact O-CB 3.22Å; T579-D583 PolarHBondContact O-N 3.28Å; L580-D583 PolarHBondContact O-N 2.87Å; D583-I585 PolarHBondContact O-N 3.4Å; D583-F586 PolarHBondContact O-N 3.16Å; D583-L587 WeakPolarHBondContact O-CB 3.4Å; D583-L587 WeakPolarHBondContact O-CG 3.43Å; D583-L587 PolarHBondContact O-N 2.84Å; D583-L607 HydrophobicContact CB-CB 4.21Å; D583-L607 HydrophobicContact CB-CD1 4.22Å
584	V	90.6	Very high	88.3	Confident	92 Å²	92	57.7 Å²	57.7	56%	0.558	31%	0.312	S	S	*	.	H	α-helix	trans	-60.4	-42.6	173.8	172.1	0	0	0	0	111.7	L580 F586 L587 A588	L580-V584 VanDerWaalsContact O-CG2 3.31Å; L580-V584 WeakPolarHBondContact O-CG2 3.39Å; L580-V584 PolarHBondContact O-N 3.26Å; V584-F586 VanDerWaalsContact C-N 3.35Å; V584-F586 PolarHBondContact O-N 3.37Å; V584-L587 PolarHBondContact O-N 3.42Å; V584-A588 VanDerWaalsContact O-CB 3.26Å; V584-A588 WeakPolarHBondContact O-CB 3.34Å; V584-A588 PolarHBondContact O-N 2.72Å
585	I	89.2	Confident	87.4	Confident	32 Å²	32	53.3 Å²	53.3	16%	0.164	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-44.7	177	-69.5	162.8	0	0	0	110.7	T581 V582 D583 R589 I808 L809	T581-I585 HydrophobicContact CG2-CD1 4.14Å; T581-I585 WeakPolarHBondContact O-CD1 3.43Å; T581-I585 VanDerWaalsContact O-CG1 3.26Å; T581-I585 WeakPolarHBondContact O-CG1 3.3Å; T581-I585 PolarHBondContact O-N 3.47Å; T581-I585 VanDerWaalsContact O-N 3.09Å; V582-I585 PolarHBondContact O-N 3.03Å; D583-I585 PolarHBondContact O-N 3.4Å; I585-R589 WeakPolarHBondContact O-CB 3.16Å; I585-R589 PolarHBondContact O-N 3.12Å; I585-I808 HydrophobicContact CG2-CG2 4.06Å; I585-L809 HydrophobicContact CD1-CD1 4.13Å
586	F	87.1	Confident	86.4	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-38.4	-178.9	-89.1	-116.9	0	0	0	112.3	V582 D583 V584 R589 W590 V595 C603 L607 F801 K804 I808	V582-F586 HydrophobicContact CG1-CD2 3.93Å; V582-F586 HydrophobicContact CG1-CE2 3.94Å; V582-F586 VanDerWaalsContact O-CD2 3.28Å; V582-F586 WeakPolarHBondContact O-CD2 3.5Å; V582-F586 PolarHBondContact O-N 3.12Å; D583-F586 PolarHBondContact O-N 3.16Å; V584-F586 VanDerWaalsContact C-N 3.35Å; V584-F586 PolarHBondContact O-N 3.37Å; F586-R589 CarbonylContact O-C 3.56Å; F586-W590 WeakPolarHBondContact O-CA 3.38Å; F586-W590 PolarHBondContact O-N 3.28Å; F586-W590 VanDerWaalsContact O-N 3.13Å; F586-V595 HydrophobicContact CD1-CG1 4.17Å; F586-V595 HydrophobicContact CD1-CG2 3.86Å; F586-V595 HydrophobicContact CE1-CG2 4.13Å; F586-V595 HydrophobicContact CG-CG2 4.35Å; F586-C603 HydrophobicContact CD1-CB 4.47Å; F586-C603 HydrophobicContact CE1-CB 4.45Å; F586-L607 HydrophobicContact CB-CD1 4.43Å; F586-L607 HydrophobicContact CG-CD1 4.3Å; F586-F801 HydrophobicContact CE1-CD1 4.17Å; F586-F801 HydrophobicContact CE1-CE1 4.29Å; F586-F801 HydrophobicContact CE2-CD1 4.13Å; F586-F801 AromaticContact CZ-CD1 3.74Å; F586-F801 HydrophobicContact CZ-CD1 3.74Å; F586-F801 HydrophobicContact CZ-CE1 4.31Å; F586-K804 HydrophobicContact CZ-CB 3.93Å; F586-K804 HydrophobicContact CZ-CD 4.2Å; F586-I808 HydrophobicContact CE2-CD1 4.17Å; F586-I808 HydrophobicContact CZ-CD1 4.38Å
587	L	86.8	Confident	85.1	Confident	93 Å²	93	60.7 Å²	60.7	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-66.5	-47.1	173.9	-76.2	168.1	0	0	0	112	D583 V584 R589 W590 I604	D583-L587 WeakPolarHBondContact O-CB 3.4Å; D583-L587 WeakPolarHBondContact O-CG 3.43Å; D583-L587 PolarHBondContact O-N 2.84Å; V584-L587 PolarHBondContact O-N 3.42Å; L587-R589 VanDerWaalsContact C-N 3.27Å; L587-R589 PolarHBondContact O-N 2.91Å; L587-W590 WeakPolarHBondContact O-CB 3.38Å; L587-W590 PolarHBondContact O-N 3.5Å; L587-I604 HydrophobicContact CD2-CD1 3.47Å; L587-I604 VanDerWaalsContact CD2-CD1 3.47Å; L587-I604 HydrophobicContact CD2-CG1 4.47Å; L587-I604 HydrophobicContact CG-CD1 4.19Å
588	A	86.7	Confident	83.9	Confident	80 Å²	80	54.8 Å²	54.8	66%	0.661	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-30.8	180	0	0	0	0	0	112.7	V584	V584-A588 VanDerWaalsContact O-CB 3.26Å; V584-A588 WeakPolarHBondContact O-CB 3.34Å; V584-A588 PolarHBondContact O-N 2.72Å
589	R	84.3	Confident	83	Confident	139 Å²	139	52.9 Å²	52.9	53%	0.525	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	29.6	-179.5	-60.2	-62.1	-169.1	178.9	1.4	112.8	I585 F586 L587 N591 T592 I808	I585-R589 WeakPolarHBondContact O-CB 3.16Å; I585-R589 PolarHBondContact O-N 3.12Å; F586-R589 CarbonylContact O-C 3.56Å; L587-R589 VanDerWaalsContact C-N 3.27Å; L587-R589 PolarHBondContact O-N 2.91Å; R589-N591 VanDerWaalsContact C-N 3.26Å; R589-N591 PolarHBondContact O-N 2.86Å; R589-N591 VanDerWaalsContact O-N 3.13Å; R589-T592 HydrophobicContact CB-CG2 3.9Å; R589-T592 WeakPolarHBondContact O-CB 3.45Å; R589-T592 WeakPolarHBondContact O-CG2 3.17Å; R589-T592 PolarHBondContact O-N 3.28Å; R589-T592 PolarHBondContact O-OG1 2.87Å; R589-I808 HydrophobicContact CB-CG2 4.19Å; R589-I808 HydrophobicContact CG-CG2 3.94Å
590	W	80.9	Confident	82.1	Confident	80 Å²	80	53 Å²	53	30%	0.303	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.9	-174.2	-174	-109.5	0	0	0	115.3	F586 L587 T592 V595 G600 P601 I604	F586-W590 WeakPolarHBondContact O-CA 3.38Å; F586-W590 PolarHBondContact O-N 3.28Å; F586-W590 VanDerWaalsContact O-N 3.13Å; L587-W590 WeakPolarHBondContact O-CB 3.38Å; L587-W590 PolarHBondContact O-N 3.5Å; W590-T592 PolarHBondContact O-N 2.04Å; W590-V595 HydrophobicContact CE3-CG1 3.76Å; W590-V595 HydrophobicContact CZ3-CG1 3.89Å; W590-G600 WeakPolarHBondContact CH2-O 3.38Å; W590-P601 HydrophobicContact CH2-CG 4.25Å; W590-P601 VanDerWaalsContact CH2-N 3.3Å; W590-P601 HydrophobicContact CZ2-CG 4.07Å; W590-I604 HydrophobicContact CE3-CD1 3.67Å; W590-I604 HydrophobicContact CE3-CG1 4.44Å; W590-I604 HydrophobicContact CH2-CD1 3.41Å; W590-I604 VanDerWaalsContact CH2-CD1 3.41Å; W590-I604 HydrophobicContact CH2-CG1 4.1Å; W590-I604 HydrophobicContact CZ2-CD1 4.45Å; W590-I604 HydrophobicContact CZ3-CD1 3Å; W590-I604 HydrophobicContact CZ3-CG1 3.56Å
591	N	78.6	Confident	81.6	Confident	116 Å²	116	53.6 Å²	53.6	62%	0.62	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	1	-177.1	-71.2	-35.9	0	0	0	113.9	R589 R596	R589-N591 VanDerWaalsContact C-N 3.26Å; R589-N591 PolarHBondContact O-N 2.86Å; R589-N591 VanDerWaalsContact O-N 3.13Å; N591-R596 PolarHBondContact OD1-NH2 2.81Å
592	T	80.6	Confident	81.4	Confident	22 Å²	22	50.5 Å²	50.5	14%	0.135	27%	0.27	C	S	.	.	S	Bend	trans	-73.1	143.2	179.5	58.3	0	0	0	0	112.3	R589 W590 V594 V595 R596	R589-T592 HydrophobicContact CB-CG2 3.9Å; R589-T592 WeakPolarHBondContact O-CB 3.45Å; R589-T592 WeakPolarHBondContact O-CG2 3.17Å; R589-T592 PolarHBondContact O-N 3.28Å; R589-T592 PolarHBondContact O-OG1 2.87Å; W590-T592 PolarHBondContact O-N 2.04Å; T592-V594 PolarHBondContact O-N 2.89Å; T592-V595 PolarHBondContact O-N 3.37Å; T592-V595 VanDerWaalsContact O-N 3.15Å; T592-V595 WeakPolarHBondContact OG1-CG2 3.49Å; T592-R596 PolarHBondContact O-N 3.45Å
593	P	72.9	Confident	81.2	Confident	36 Å²	36	49.6 Å²	49.6	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-54	-34.5	178.2	-28.4	34.6	0	0	0	114	R596 S597 N815 E817	P593-R596 PolarHBondContact O-N 2.86Å; P593-S597 WeakPolarHBondContact O-CB 3.33Å; P593-S597 PolarHBondContact O-N 2.82Å; P593-S597 PolarHBondContact O-OG 2.96Å; P593-N815 WeakPolarHBondContact CD-OD1 3.47Å; P593-E817 HydrophobicContact CG-CG 4.11Å
594	V	75.5	Confident	81.2	Confident	20 Å²	20	50.2 Å²	50.2	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-39	179	173	0	0	0	0	112.8	T592 S597 S598 K804 I807 I808 N815	T592-V594 PolarHBondContact O-N 2.89Å; V594-S597 PolarHBondContact O-OG 2.85Å; V594-S598 WeakPolarHBondContact O-CB 3.48Å; V594-S598 PolarHBondContact O-N 3.4Å; V594-S598 PolarHBondContact O-OG 3.15Å; V594-K804 HydrophobicContact CG1-CB 4.3Å; V594-I807 HydrophobicContact CG2-CG2 4.04Å; V594-I808 HydrophobicContact CB-CG1 4.34Å; V594-I808 HydrophobicContact CG1-CD1 4.16Å; V594-I808 HydrophobicContact CG1-CG1 4.14Å; V594-N815 HydrophobicContact CG2-CB 4.47Å; V594-N815 VanDerWaalsContact CG2-OD1 3.27Å; V594-N815 WeakPolarHBondContact CG2-OD1 3.44Å
595	V	77.2	Confident	81.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-75	-40.4	178.3	177.2	0	0	0	0	110.5	F586 W590 T592 S598 G600 I808	F586-V595 HydrophobicContact CD1-CG1 4.17Å; F586-V595 HydrophobicContact CD1-CG2 3.86Å; F586-V595 HydrophobicContact CE1-CG2 4.13Å; F586-V595 HydrophobicContact CG-CG2 4.35Å; W590-V595 HydrophobicContact CE3-CG1 3.76Å; W590-V595 HydrophobicContact CZ3-CG1 3.89Å; T592-V595 PolarHBondContact O-N 3.37Å; T592-V595 VanDerWaalsContact O-N 3.15Å; T592-V595 WeakPolarHBondContact OG1-CG2 3.49Å; V595-S598 PolarHBondContact O-N 3.44Å; V595-G600 WeakPolarHBondContact O-CA 3.25Å; V595-G600 PolarHBondContact O-N 3.11Å; V595-I808 HydrophobicContact CG2-CD1 4.11Å
596	R	74.6	Confident	81.5	Confident	140 Å²	140	47 Å²	47	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-68.4	-39.5	178.7	-69.9	-176.5	175.9	-177.6	0	113.2	N591 T592 P593 S598 V599	N591-R596 PolarHBondContact OD1-NH2 2.81Å; T592-R596 PolarHBondContact O-N 3.45Å; P593-R596 PolarHBondContact O-N 2.86Å; R596-S598 PolarHBondContact O-N 2.79Å; R596-V599 PolarHBondContact O-N 2.95Å
597	S	69.3	Low	81.8	Confident	35 Å²	35	47 Å²	47	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-32.4	175.9	65.3	0	0	0	0	111.8	P593 V594 V599	P593-S597 WeakPolarHBondContact O-CB 3.33Å; P593-S597 PolarHBondContact O-N 2.82Å; P593-S597 PolarHBondContact O-OG 2.96Å; V594-S597 PolarHBondContact O-OG 2.85Å; S597-V599 PolarHBondContact O-N 2.64Å; S597-V599 VanDerWaalsContact O-N 3.14Å
598	S	70.7	Confident	82.1	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	16.8	177.7	-55.2	0	0	0	0	115	V594 V595 R596 G600 C603 K804	V594-S598 WeakPolarHBondContact O-CB 3.48Å; V594-S598 PolarHBondContact O-N 3.4Å; V594-S598 PolarHBondContact O-OG 3.15Å; V595-S598 PolarHBondContact O-N 3.44Å; R596-S598 PolarHBondContact O-N 2.79Å; S598-G600 VanDerWaalsContact C-N 3.32Å; S598-G600 PolarHBondContact O-N 3.1Å; S598-C603 PolarHBondContact O-SG 3.05Å; S598-K804 PolarHBondContact OG-NZ 3.27Å
599	V	74.1	Confident	82.6	Confident	21 Å²	21	44.3 Å²	44.3	13%	0.127	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	31.5	-177.5	-147.1	0	0	0	0	113.4	R596 S597 P601 I602 K650 K653	R596-V599 PolarHBondContact O-N 2.95Å; S597-V599 PolarHBondContact O-N 2.64Å; S597-V599 VanDerWaalsContact O-N 3.14Å; V599-P601 VanDerWaalsContact O-CD 3.32Å; V599-P601 WeakPolarHBondContact O-CD 3.28Å; V599-I602 HydrophobicContact CB-CB 4.42Å; V599-I602 HydrophobicContact CB-CD1 4.04Å; V599-I602 HydrophobicContact CB-CG1 4.38Å; V599-I602 HydrophobicContact CG1-CD1 3.4Å; V599-I602 HydrophobicContact CG1-CG1 3.98Å; V599-I602 PolarHBondContact O-N 3.27Å; V599-K650 HydrophobicContact CG2-CG 4.39Å; V599-K653 HydrophobicContact CB-CD 4.2Å; V599-K653 HydrophobicContact CG1-CD 3.89Å; V599-K653 HydrophobicContact CG2-CD 3.26Å; V599-K653 HydrophobicContact CG2-CG 4.5Å
600	G	76.9	Confident	83.1	Confident	4 Å²	4	37.7 Å²	37.7	4%	0.041	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	33.2	-96.9	165.8	0	0	0	0	0	115.6	W590 V595 S598 I602 C603	W590-G600 WeakPolarHBondContact CH2-O 3.38Å; V595-G600 WeakPolarHBondContact O-CA 3.25Å; V595-G600 PolarHBondContact O-N 3.11Å; S598-G600 VanDerWaalsContact C-N 3.32Å; S598-G600 PolarHBondContact O-N 3.1Å; G600-I602 PolarHBondContact O-N 2.91Å; G600-I602 VanDerWaalsContact O-N 3.12Å; G600-C603 PolarHBondContact O-N 3.21Å; G600-C603 VanDerWaalsContact O-N 3.11Å
601	P	83.5	Confident	83.8	Confident	87 Å²	87	36.3 Å²	36.3	57%	0.565	19%	0.192	S	C	*	.	H	α-helix	trans	-47.7	-37.4	-179.4	-29.7	36.3	0	0	0	115.6	W590 V599 C603 I604 V605	W590-P601 HydrophobicContact CH2-CG 4.25Å; W590-P601 VanDerWaalsContact CH2-N 3.3Å; W590-P601 HydrophobicContact CZ2-CG 4.07Å; V599-P601 VanDerWaalsContact O-CD 3.32Å; V599-P601 WeakPolarHBondContact O-CD 3.28Å; P601-C603 VanDerWaalsContact C-N 3.34Å; P601-C603 PolarHBondContact O-N 3.28Å; P601-I604 PolarHBondContact O-N 3.08Å; P601-V605 WeakPolarHBondContact O-CG2 3.46Å; P601-V605 PolarHBondContact O-N 3.45Å
602	I	88.1	Confident	84.6	Confident	15 Å²	15	32 Å²	32	8%	0.077	17%	0.171	C	C	.	.	H	α-helix	trans	-71.4	-31.5	-174.7	-53.7	-177.5	0	0	0	111.5	V599 G600 V605 L606 C646 V649 P674 I678	V599-I602 HydrophobicContact CB-CB 4.42Å; V599-I602 HydrophobicContact CB-CD1 4.04Å; V599-I602 HydrophobicContact CB-CG1 4.38Å; V599-I602 HydrophobicContact CG1-CD1 3.4Å; V599-I602 HydrophobicContact CG1-CG1 3.98Å; V599-I602 PolarHBondContact O-N 3.27Å; G600-I602 PolarHBondContact O-N 2.91Å; G600-I602 VanDerWaalsContact O-N 3.12Å; I602-V605 PolarHBondContact O-N 3.36Å; I602-L606 WeakPolarHBondContact O-CB 3.41Å; I602-L606 PolarHBondContact O-N 3.29Å; I602-C646 HydrophobicContact CG2-CB 3.72Å; I602-V649 HydrophobicContact CD1-CB 4.34Å; I602-V649 HydrophobicContact CD1-CG1 3.48Å; I602-V649 VanDerWaalsContact CD1-CG1 3.48Å; I602-P674 HydrophobicContact CD1-CB 3.75Å; I602-P674 HydrophobicContact CD1-CG 4.27Å; I602-I678 HydrophobicContact CG2-CD1 4.45Å
603	C	87.9	Confident	85.4	Confident	1 Å²	1	31 Å²	31	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-35.3	177.7	-78	0	0	0	0	112.2	F586 S598 G600 P601 L606 L607 F801	F586-C603 HydrophobicContact CD1-CB 4.47Å; F586-C603 HydrophobicContact CE1-CB 4.45Å; S598-C603 PolarHBondContact O-SG 3.05Å; G600-C603 PolarHBondContact O-N 3.21Å; G600-C603 VanDerWaalsContact O-N 3.11Å; P601-C603 VanDerWaalsContact C-N 3.34Å; P601-C603 PolarHBondContact O-N 3.28Å; C603-L606 PolarHBondContact O-N 3.46Å; C603-L607 WeakPolarHBondContact O-CG 3.36Å; C603-L607 PolarHBondContact O-N 3.39Å; C603-F801 HydrophobicContact CB-CE1 4.3Å
604	I	89.6	Confident	86.5	Confident	39 Å²	39	29.4 Å²	29.4	20%	0.2	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-45.1	172.9	-67.3	176.7	0	0	0	110.2	L587 W590 P601 L606 L607 F608	L587-I604 HydrophobicContact CD2-CD1 3.47Å; L587-I604 VanDerWaalsContact CD2-CD1 3.47Å; L587-I604 HydrophobicContact CD2-CG1 4.47Å; L587-I604 HydrophobicContact CG-CD1 4.19Å; W590-I604 HydrophobicContact CE3-CD1 3.67Å; W590-I604 HydrophobicContact CE3-CG1 4.44Å; W590-I604 HydrophobicContact CH2-CD1 3.41Å; W590-I604 VanDerWaalsContact CH2-CD1 3.41Å; W590-I604 HydrophobicContact CH2-CG1 4.1Å; W590-I604 HydrophobicContact CZ2-CD1 4.45Å; W590-I604 HydrophobicContact CZ3-CD1 3Å; W590-I604 HydrophobicContact CZ3-CG1 3.56Å; P601-I604 PolarHBondContact O-N 3.08Å; I604-L606 PolarHBondContact O-N 3.37Å; I604-L607 PolarHBondContact O-N 3.11Å; I604-L607 VanDerWaalsContact O-N 3.1Å; I604-F608 WeakPolarHBondContact O-CB 3.43Å; I604-F608 PolarHBondContact O-N 3.14Å
605	V	92.7	Very high	87.4	Confident	55 Å²	55	30.3 Å²	30.3	33%	0.333	17%	0.167	S	C	.	.	H	α-helix	trans	-60	-37.4	177.8	178.6	0	0	0	0	111	P601 I602 S609 L642	P601-V605 WeakPolarHBondContact O-CG2 3.46Å; P601-V605 PolarHBondContact O-N 3.45Å; I602-V605 PolarHBondContact O-N 3.36Å; V605-S609 WeakPolarHBondContact O-CB 3.49Å; V605-S609 PolarHBondContact O-N 2.98Å; V605-S609 PolarHBondContact O-OG 2.72Å; V605-L642 HydrophobicContact CG1-CD1 3.83Å; V605-L642 HydrophobicContact CG1-CD2 4.21Å; V605-L642 HydrophobicContact CG1-CG 4.12Å
606	L	92.9	Very high	88.2	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-39.4	173.7	179.3	59.3	0	0	0	113.1	I602 C603 I604 S609 L610 S643 C646 I647 I796 F801	I602-L606 WeakPolarHBondContact O-CB 3.41Å; I602-L606 PolarHBondContact O-N 3.29Å; C603-L606 PolarHBondContact O-N 3.46Å; I604-L606 PolarHBondContact O-N 3.37Å; L606-S609 WeakPolarHBondContact CA-OG 3.39Å; L606-S609 PolarHBondContact O-N 3.1Å; L606-S609 PolarHBondContact O-OG 3.18Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.1Å; L606-L610 PolarHBondContact O-N 2.94Å; L606-S643 WeakPolarHBondContact CD1-O 3.36Å; L606-C646 HydrophobicContact CB-CB 3.95Å; L606-C646 HydrophobicContact CD1-CB 4.17Å; L606-C646 HydrophobicContact CG-CB 4.49Å; L606-I647 HydrophobicContact CD1-CG1 4.29Å; L606-I647 HydrophobicContact CD2-CG1 4.24Å; L606-I796 HydrophobicContact CD1-CG2 4.25Å; L606-I796 HydrophobicContact CD2-CG2 4.49Å; L606-F801 HydrophobicContact CB-CZ 4.45Å; L606-F801 HydrophobicContact CD2-CE2 3.98Å; L606-F801 HydrophobicContact CD2-CZ 3.73Å; L606-F801 HydrophobicContact CG-CE2 4.22Å; L606-F801 HydrophobicContact CG-CZ 4Å
607	L	93.4	Very high	89.1	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-69.5	-40.6	176.3	-73	165.3	0	0	0	111.5	T579 V582 D583 F586 C603 I604 S609 L610 L611 L797 F801	T579-L607 HydrophobicContact CG2-CB 4.49Å; T579-L607 HydrophobicContact CG2-CD2 4.12Å; T579-L607 WeakPolarHBondContact CG2-O 3.14Å; V582-L607 HydrophobicContact CB-CD2 4.21Å; V582-L607 HydrophobicContact CG1-CD1 3.89Å; V582-L607 HydrophobicContact CG1-CD2 3.67Å; V582-L607 HydrophobicContact CG1-CG 4.47Å; D583-L607 HydrophobicContact CB-CB 4.21Å; D583-L607 HydrophobicContact CB-CD1 4.22Å; F586-L607 HydrophobicContact CB-CD1 4.43Å; F586-L607 HydrophobicContact CG-CD1 4.3Å; C603-L607 WeakPolarHBondContact O-CG 3.36Å; C603-L607 PolarHBondContact O-N 3.39Å; I604-L607 PolarHBondContact O-N 3.11Å; I604-L607 VanDerWaalsContact O-N 3.1Å; L607-S609 VanDerWaalsContact C-N 3.35Å; L607-S609 PolarHBondContact O-N 2.95Å; L607-L610 PolarHBondContact O-N 3.39Å; L607-L611 PolarHBondContact O-N 2.94Å; L607-L797 HydrophobicContact CD2-CD1 4.36Å; L607-F801 HydrophobicContact CD1-CD1 4.27Å; L607-F801 HydrophobicContact CD1-CE1 3.84Å; L607-F801 HydrophobicContact CD1-CZ 4.28Å; L607-F801 HydrophobicContact CD2-CD1 4.08Å; L607-F801 HydrophobicContact CD2-CD2 4.02Å; L607-F801 HydrophobicContact CD2-CE1 3.88Å; L607-F801 HydrophobicContact CD2-CE2 3.8Å; L607-F801 HydrophobicContact CD2-CG 4.15Å; L607-F801 HydrophobicContact CD2-CZ 3.71Å; L607-F801 HydrophobicContact CG-CD1 4.37Å; L607-F801 HydrophobicContact CG-CE1 3.75Å; L607-F801 HydrophobicContact CG-CE2 4.26Å; L607-F801 HydrophobicContact CG-CZ 3.67Å
608	F	94.7	Very high	90.2	Very high	115 Å²	115	24.2 Å²	24.2	50%	0.504	15%	0.145	S	C	.	.	H	α-helix	trans	-60.1	-43.9	172.3	179.3	-100.8	0	0	0	111.7	I604 L610 L611 C612	I604-F608 WeakPolarHBondContact O-CB 3.43Å; I604-F608 PolarHBondContact O-N 3.14Å; F608-L610 VanDerWaalsContact C-N 3.33Å; F608-L610 PolarHBondContact O-N 3Å; F608-L611 WeakPolarHBondContact O-CB 3.05Å; F608-L611 PolarHBondContact O-N 3.4Å; F608-C612 PolarHBondContact O-N 3.29Å; F608-C612 PolarHBondContact O-SG 3.06Å
609	S	95.9	Very high	91.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-33.3	178.5	71.2	0	0	0	0	113	V605 L606 L607 C612 T613 S643	V605-S609 WeakPolarHBondContact O-CB 3.49Å; V605-S609 PolarHBondContact O-N 2.98Å; V605-S609 PolarHBondContact O-OG 2.72Å; L606-S609 WeakPolarHBondContact CA-OG 3.39Å; L606-S609 PolarHBondContact O-N 3.1Å; L606-S609 PolarHBondContact O-OG 3.18Å; L607-S609 VanDerWaalsContact C-N 3.35Å; L607-S609 PolarHBondContact O-N 2.95Å; S609-C612 PolarHBondContact O-N 2.98Å; S609-T613 WeakPolarHBondContact O-CB 3.37Å; S609-T613 PolarHBondContact O-N 2.82Å; S609-T613 PolarHBondContact O-OG1 2.87Å; S609-S643 VanDerWaalsContact CB-OG 3.32Å; S609-S643 WeakPolarHBondContact CB-OG 2.91Å; S609-S643 WeakPolarHBondContact OG-CA 3.37Å; S609-S643 WeakPolarHBondContact OG-CB 3.33Å; S609-S643 PolarHBondContact OG-N 2.93Å; S609-S643 PolarHBondContact OG-OG 3.32Å
610	L	95.2	Very high	92	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-40.2	171.2	-72.5	172.5	0	0	0	112	T579 L606 L607 F608 C612 T613 F614 A793 I796 L797 F801	T579-L610 HydrophobicContact CG2-CB 3.99Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.1Å; L606-L610 PolarHBondContact O-N 2.94Å; L607-L610 PolarHBondContact O-N 3.39Å; F608-L610 VanDerWaalsContact C-N 3.33Å; F608-L610 PolarHBondContact O-N 3Å; L610-C612 PolarHBondContact O-N 2.92Å; L610-T613 WeakPolarHBondContact O-CB 3.45Å; L610-T613 PolarHBondContact O-N 3.29Å; L610-T613 VanDerWaalsContact O-N 3.12Å; L610-F614 VanDerWaalsContact O-CD2 3.26Å; L610-F614 WeakPolarHBondContact O-CD2 3.46Å; L610-F614 PolarHBondContact O-N 3.2Å; L610-A793 HydrophobicContact CD2-CB 4.24Å; L610-I796 HydrophobicContact CD1-CB 4.38Å; L610-I796 HydrophobicContact CD1-CG2 3.85Å; L610-I796 HydrophobicContact CD2-CB 4.02Å; L610-I796 HydrophobicContact CD2-CD1 4.22Å; L610-I796 HydrophobicContact CD2-CG2 4.08Å; L610-I796 HydrophobicContact CG-CG2 4.41Å; L610-L797 HydrophobicContact CD1-CB 4.49Å; L610-F801 HydrophobicContact CD1-CE2 4.17Å
611	L	95.9	Very high	92.5	Very high	52 Å²	52	26.2 Å²	26.2	27%	0.272	15%	0.154	S	C	.	.	H	α-helix	trans	-60.6	-45.3	174.2	-175.1	66.1	0	0	0	111.2	A576 T579 L580 L607 F608 T613 F614 G615	A576-L611 HydrophobicContact CB-CD1 4.04Å; T579-L611 HydrophobicContact CG2-CB 4.39Å; L580-L611 HydrophobicContact CD1-CD1 4.34Å; L580-L611 HydrophobicContact CD2-CD1 4.1Å; L580-L611 HydrophobicContact CD2-CD2 3.68Å; L580-L611 HydrophobicContact CG-CD1 3.88Å; L580-L611 HydrophobicContact CG-CD2 4.39Å; L607-L611 PolarHBondContact O-N 2.94Å; F608-L611 WeakPolarHBondContact O-CB 3.05Å; F608-L611 PolarHBondContact O-N 3.4Å; L611-T613 VanDerWaalsContact C-N 3.28Å; L611-T613 PolarHBondContact O-N 2.82Å; L611-F614 PolarHBondContact O-N 2.79Å; L611-G615 PolarHBondContact O-N 2.73Å
612	C	95.8	Very high	92.5	Very high	26 Å²	26	22.6 Å²	22.6	18%	0.176	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-36.9	173.4	-65.9	0	0	0	0	112.2	F608 S609 L610 G615 S616 F635	F608-C612 PolarHBondContact O-N 3.29Å; F608-C612 PolarHBondContact O-SG 3.06Å; S609-C612 PolarHBondContact O-N 2.98Å; L610-C612 PolarHBondContact O-N 2.92Å; C612-G615 CarbonylContact O-C 3.46Å; C612-G615 WeakPolarHBondContact O-CA 3.44Å; C612-G615 PolarHBondContact O-N 2.9Å; C612-S616 PolarHBondContact O-N 2.8Å; C612-F635 HydrophobicContact CB-CE2 4.39Å; C612-F635 HydrophobicContact CB-CZ 4.23Å
613	T	95.8	Very high	92.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.1	-46	177.8	-58.4	0	0	0	0	111.4	S609 L610 L611 G615 S616 F636 S639 F640 I789 A793	S609-T613 WeakPolarHBondContact O-CB 3.37Å; S609-T613 PolarHBondContact O-N 2.82Å; S609-T613 PolarHBondContact O-OG1 2.87Å; L610-T613 WeakPolarHBondContact O-CB 3.45Å; L610-T613 PolarHBondContact O-N 3.29Å; L610-T613 VanDerWaalsContact O-N 3.12Å; L611-T613 VanDerWaalsContact C-N 3.28Å; L611-T613 PolarHBondContact O-N 2.82Å; T613-G615 VanDerWaalsContact C-N 3.29Å; T613-G615 PolarHBondContact O-N 3.21Å; T613-S616 PolarHBondContact O-N 3.33Å; T613-S616 VanDerWaalsContact O-N 3.16Å; T613-S616 PolarHBondContact O-OG 3.2Å; T613-F636 HydrophobicContact CG2-CD2 4.25Å; T613-F636 HydrophobicContact CG2-CE2 4.3Å; T613-S639 WeakPolarHBondContact CA-OG 3.38Å; T613-S639 WeakPolarHBondContact OG1-CB 3.38Å; T613-S639 PolarHBondContact OG1-OG 3.27Å; T613-F640 HydrophobicContact CG2-CD2 4.07Å; T613-I789 HydrophobicContact CG2-CG2 3.82Å; T613-A793 HydrophobicContact CG2-CB 4.21Å
614	F	96.2	Very high	92.6	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-37.7	170.9	-72.7	-63.7	0	0	0	111.8	T572 A576 T579 L610 L611 S616 V617 P618 A793 Y794	T572-F614 HydrophobicContact CG2-CB 4.08Å; T572-F614 HydrophobicContact CG2-CD1 4.17Å; T572-F614 WeakPolarHBondContact CG2-O 3.46Å; A576-F614 HydrophobicContact CB-CB 4.08Å; T579-F614 WeakPolarHBondContact OG1-CE2 3.48Å; L610-F614 VanDerWaalsContact O-CD2 3.26Å; L610-F614 WeakPolarHBondContact O-CD2 3.46Å; L610-F614 PolarHBondContact O-N 3.2Å; L611-F614 PolarHBondContact O-N 2.79Å; F614-S616 PolarHBondContact O-N 3.34Å; F614-V617 PolarHBondContact O-N 3.39Å; F614-P618 WeakPolarHBondContact O-CD 3.42Å; F614-A793 HydrophobicContact CD1-CB 4.35Å; F614-A793 HydrophobicContact CD2-CB 4.5Å; F614-A793 HydrophobicContact CE1-CB 3.75Å; F614-A793 HydrophobicContact CE2-CB 3.92Å; F614-A793 HydrophobicContact CZ-CB 3.51Å; F614-Y794 HydrophobicContact CE1-CD2 4.18Å; F614-Y794 HydrophobicContact CE1-CE2 4.03Å; F614-Y794 HydrophobicContact CZ-CD1 4.36Å; F614-Y794 HydrophobicContact CZ-CD2 4.31Å; F614-Y794 HydrophobicContact CZ-CE1 4.45Å; F614-Y794 HydrophobicContact CZ-CE2 4.34Å; F614-Y794 HydrophobicContact CZ-CG 4.33Å
615	G	94.1	Very high	92.6	Very high	38 Å²	38	29.4 Å²	29.4	39%	0.392	16%	0.163	S	C	.	.	H	α-helix	trans	-63.7	-19.5	175.1	0	0	0	0	0	114.7	L611 C612 T613 P618	L611-G615 PolarHBondContact O-N 2.73Å; C612-G615 CarbonylContact O-C 3.46Å; C612-G615 WeakPolarHBondContact O-CA 3.44Å; C612-G615 PolarHBondContact O-N 2.9Å; T613-G615 VanDerWaalsContact C-N 3.29Å; T613-G615 PolarHBondContact O-N 3.21Å; G615-P618 WeakPolarHBondContact O-CD 3.49Å
616	S	94.8	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-78.8	-27.7	178.3	74.9	0	0	0	0	113.9	C612 T613 F614 L619 F635	C612-S616 PolarHBondContact O-N 2.8Å; T613-S616 PolarHBondContact O-N 3.33Å; T613-S616 VanDerWaalsContact O-N 3.16Å; T613-S616 PolarHBondContact O-OG 3.2Å; F614-S616 PolarHBondContact O-N 3.34Å; S616-L619 WeakPolarHBondContact O-CB 3.44Å; S616-L619 PolarHBondContact O-N 2.92Å; S616-L619 VanDerWaalsContact O-N 3.14Å; S616-F635 VanDerWaalsContact CB-CD1 3.46Å
617	V	94.3	Very high	92.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.4	-42.6	-173.6	176.4	0	0	0	0	113.1	T572 F614 L619 F620 M786 I789 V790	T572-V617 HydrophobicContact CG2-CB 3.85Å; T572-V617 HydrophobicContact CG2-CG1 4.22Å; T572-V617 HydrophobicContact CG2-CG2 4.25Å; T572-V617 WeakPolarHBondContact OG1-CG1 3.41Å; F614-V617 PolarHBondContact O-N 3.39Å; V617-L619 PolarHBondContact O-N 3.43Å; V617-L619 VanDerWaalsContact O-N 3.09Å; V617-F620 PolarHBondContact O-N 3.27Å; V617-F620 VanDerWaalsContact O-N 3.17Å; V617-M786 HydrophobicContact CG1-CB 4.01Å; V617-M786 HydrophobicContact CG1-CE 3.34Å; V617-M786 HydrophobicContact CG1-CG 4.02Å; V617-I789 HydrophobicContact CG2-CB 4.37Å; V617-I789 HydrophobicContact CG2-CG2 3.75Å; V617-V790 HydrophobicContact CG1-CG2 4.32Å; V617-V790 HydrophobicContact CG2-CG2 3.96Å
618	P	92.7	Very high	92.1	Very high	48 Å²	48	38 Å²	38	31%	0.312	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60.6	-19.2	177.4	-25	35.5	0	0	0	115.3	L569 F614 G615 F620 G621	L569-P618 HydrophobicContact CD2-CB 4.16Å; L569-P618 HydrophobicContact CD2-CG 4.08Å; F614-P618 WeakPolarHBondContact O-CD 3.42Å; G615-P618 WeakPolarHBondContact O-CD 3.49Å; P618-F620 PolarHBondContact O-N 2.93Å; P618-G621 PolarHBondContact O-N 2.93Å
619	L	91.9	Very high	92	Very high	55 Å²	55	32.5 Å²	32.5	29%	0.288	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-71.3	-18.1	178.8	-62.5	177.8	0	0	0	113.3	S616 V617 G621 A631 R632 F635	S616-L619 WeakPolarHBondContact O-CB 3.44Å; S616-L619 PolarHBondContact O-N 2.92Å; S616-L619 VanDerWaalsContact O-N 3.14Å; V617-L619 PolarHBondContact O-N 3.43Å; V617-L619 VanDerWaalsContact O-N 3.09Å; L619-G621 VanDerWaalsContact C-N 3.35Å; L619-A631 HydrophobicContact CD1-CB 4.31Å; L619-R632 HydrophobicContact CB-CB 3.99Å; L619-F635 HydrophobicContact CD1-CB 4.26Å; L619-F635 HydrophobicContact CD1-CD1 3.77Å; L619-F635 HydrophobicContact CD1-CG 4.43Å
620	F	89.8	Confident	91.7	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.044	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-81.7	-15	178.9	-71.3	-94.2	0	0	0	113.2	V617 P618 R632 P782 E785 M786 I789	V617-F620 PolarHBondContact O-N 3.27Å; V617-F620 VanDerWaalsContact O-N 3.17Å; P618-F620 PolarHBondContact O-N 2.93Å; F620-R632 HydrophobicContact CD1-CB 4.37Å; F620-R632 HydrophobicContact CD1-CG 4.29Å; F620-R632 HydrophobicContact CD2-CB 4.22Å; F620-R632 HydrophobicContact CE1-CB 4.08Å; F620-R632 HydrophobicContact CE1-CG 3.82Å; F620-R632 HydrophobicContact CE2-CB 3.95Å; F620-R632 HydrophobicContact CG-CB 4.43Å; F620-R632 HydrophobicContact CZ-CB 3.88Å; F620-R632 HydrophobicContact CZ-CG 3.97Å; F620-P782 HydrophobicContact CB-CB 4.44Å; F620-E785 VanDerWaalsContact CE1-CD 3.42Å; F620-E785 HydrophobicContact CE1-CG 4.02Å; F620-E785 VanDerWaalsContact CE1-OE2 3.24Å; F620-E785 WeakPolarHBondContact CE1-OE2 3.45Å; F620-E785 HydrophobicContact CZ-CG 4.37Å; F620-M786 HydrophobicContact CB-CG 3.68Å; F620-M786 HydrophobicContact CB-SD 3.86Å; F620-M786 HydrophobicContact CG-CG 4.16Å; F620-I789 HydrophobicContact CE2-CD1 3.94Å; F620-I789 HydrophobicContact CZ-CD1 4.07Å
621	G	86.6	Confident	91.6	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	21%	0.207	C	C	.	.	S	Bend	trans	-94.3	169	-179.4	0	0	0	0	0	114.7	P618 L619	P618-G621 PolarHBondContact O-N 2.93Å; L619-G621 VanDerWaalsContact C-N 3.35Å
622	A	85	Confident	91.4	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	20%	0.196	C	C	.	.	S	Bend	trans	70.8	-172.3	176.6	0	0	0	0	0	115.5	L558 W560 P624	L558-A622 VanDerWaalsContact O-CA 3.31Å; L558-A622 WeakPolarHBondContact O-CA 3.46Å; L558-A622 PolarHBondContact O-N 3.47Å; L558-A622 VanDerWaalsContact O-N 3.09Å; W560-A622 HydrophobicContact CD2-CB 4.14Å; W560-A622 HydrophobicContact CG-CB 4.35Å; W560-A622 HydrophobicContact CZ2-CB 3.68Å; A622-P624 WeakPolarHBondContact O-CD 3.08Å
623	R	87.6	Confident	91.2	Very high	135 Å²	135	35.4 Å²	35.4	51%	0.509	19%	0.188	S	C	.	.	S	Bend	trans	-59.3	123.3	-178.8	-167.9	177.2	-170.2	168.3	9	110.2	D555 F557	D555-R623 IonicContact OD2-NH2 3.61Å; D555-R623 PolarHBondContact OD2-NH2 3.38Å; F557-R623 HydrophobicContact CE2-CB 4.14Å; F557-R623 HydrophobicContact CZ-CB 4.28Å
624	P	89.3	Confident	91.1	Very high	21 Å²	21	36.6 Å²	36.6	14%	0.136	20%	0.195	C	C	.	.			trans	-59.5	137.3	175.6	-25.6	35.7	0	0	0	111.7	A622 K700 W711	A622-P624 WeakPolarHBondContact O-CD 3.08Å; P624-K700 HydrophobicContact CB-CB 4.41Å; P624-W711 HydrophobicContact CG-CB 4.05Å
625	S	89.9	Confident	91.1	Very high	43 Å²	43	40.4 Å²	40.4	30%	0.301	21%	0.212	S	C	.	.			trans	-133.8	154	168.1	67.1	0	0	0	0	108.8	E627 K628 C629	S625-E627 PolarHBondContact O-N 2.98Å; S625-K628 PolarHBondContact O-N 3.24Å; S625-K628 WeakPolarHBondContact OG-CB 3.46Å; S625-K628 WeakPolarHBondContact OG-CD 3.25Å; S625-K628 WeakPolarHBondContact OG-CG 3.35Å; S625-K628 PolarHBondContact OG-N 2.99Å; S625-C629 PolarHBondContact O-N 3.3Å; S625-C629 PolarHBondContact O-SG 3.22Å
626	D	89.2	Confident	91.1	Very high	41 Å²	41	38.6 Å²	38.6	22%	0.219	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-39.8	-177	-62.5	-53	0	0	0	111.6	C629 R630 K700	D626-C629 PolarHBondContact O-N 3.32Å; D626-R630 VanDerWaalsContact O-CG 3.29Å; D626-R630 WeakPolarHBondContact O-CG 3.44Å; D626-R630 PolarHBondContact O-N 3.14Å; D626-R630 VanDerWaalsContact O-N 3.12Å; D626-K700 VanDerWaalsContact OD1-CG 3.28Å; D626-K700 WeakPolarHBondContact OD1-CG 3.34Å; D626-K700 PolarHBondContact OD1-N 3.31Å; D626-K700 WeakPolarHBondContact OD2-CD 3.47Å; D626-K700 WeakPolarHBondContact OD2-CE 3.4Å; D626-K700 IonicContact OD2-NZ 3.37Å; D626-K700 PolarHBondContact OD2-NZ 3.35Å
627	E	89.3	Confident	91.1	Very high	123 Å²	123	38.6 Å²	38.6	58%	0.575	19%	0.193	S	C	*	.	H	α-helix	trans	-68.1	-40.2	177	-54.8	-47.3	139.9	0	0	113.2	S625 R630 A631	S625-E627 PolarHBondContact O-N 2.98Å; E627-R630 PolarHBondContact O-N 3.09Å; E627-R630 IonicContact OE1-NH1 3.77Å; E627-R630 PolarHBondContact OE1-NH1 3.05Å; E627-R630 IonicContact OE2-NH1 2.61Å; E627-A631 WeakPolarHBondContact O-CB 3.12Å; E627-A631 PolarHBondContact O-N 3.36Å
628	K	90.6	Very high	91.2	Very high	74 Å²	74	41.2 Å²	41.2	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-66.5	-40.7	175.7	-73.8	177.3	-178.7	-173.8	0	111.7	S625 R630 A631 R632	S625-K628 PolarHBondContact O-N 3.24Å; S625-K628 WeakPolarHBondContact OG-CB 3.46Å; S625-K628 WeakPolarHBondContact OG-CD 3.25Å; S625-K628 WeakPolarHBondContact OG-CG 3.35Å; S625-K628 PolarHBondContact OG-N 2.99Å; K628-R630 VanDerWaalsContact C-N 3.29Å; K628-R630 PolarHBondContact O-N 3.24Å; K628-A631 PolarHBondContact O-N 3.23Å; K628-R632 WeakPolarHBondContact O-CB 3.37Å; K628-R632 PolarHBondContact O-N 3.38Å
629	C	91.5	Very high	91.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-39.4	178.4	-61.7	0	0	0	0	111.4	S625 D626 P698 C713	S625-C629 PolarHBondContact O-N 3.3Å; S625-C629 PolarHBondContact O-SG 3.22Å; D626-C629 PolarHBondContact O-N 3.32Å; C629-P698 HydrophobicContact CB-CB 4.21Å; C629-P698 WeakPolarHBondContact O-CB 3.39Å; C629-C713 WeakPolarHBondContact CA-SG 3.47Å; C629-C713 HydrophobicContact CB-CB 3.67Å; C629-C713 WeakPolarHBondContact CB-SG 3.46Å; C629-C713 VanDerWaalsContact SG-CA 3.58Å; C629-C713 WeakPolarHBondContact SG-CB 3.36Å; C629-C713 CovalentContact SG-SG 2.03Å; C629-C713 PolarHBondContact SG-SG 3.08Å
630	R	91.6	Very high	91.5	Very high	88 Å²	88	36.6 Å²	36.6	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-69.8	-43.2	175.1	-67.9	169	-176.6	170.5	-1.5	112.6	D626 E627 K628 V634 L693 A697	D626-R630 VanDerWaalsContact O-CG 3.29Å; D626-R630 WeakPolarHBondContact O-CG 3.44Å; D626-R630 PolarHBondContact O-N 3.14Å; D626-R630 VanDerWaalsContact O-N 3.12Å; E627-R630 PolarHBondContact O-N 3.09Å; E627-R630 IonicContact OE1-NH1 3.77Å; E627-R630 PolarHBondContact OE1-NH1 3.05Å; E627-R630 IonicContact OE2-NH1 2.61Å; K628-R630 VanDerWaalsContact C-N 3.29Å; K628-R630 PolarHBondContact O-N 3.24Å; R630-V634 WeakPolarHBondContact O-CG2 3.48Å; R630-L693 HydrophobicContact CB-CD2 4.33Å; R630-L693 HydrophobicContact CG-CD2 4.4Å; R630-A697 HydrophobicContact CG-CB 4.41Å
631	A	91.8	Very high	91.8	Very high	41 Å²	41	36.1 Å²	36.1	34%	0.339	18%	0.178	S	C	.	.	H	α-helix	trans	-73.3	-37.7	-173.4	0	0	0	0	0	113.7	L619 E627 K628 Q633 V634 F635	L619-A631 HydrophobicContact CD1-CB 4.31Å; E627-A631 WeakPolarHBondContact O-CB 3.12Å; E627-A631 PolarHBondContact O-N 3.36Å; K628-A631 PolarHBondContact O-N 3.23Å; A631-Q633 PolarHBondContact O-N 2.88Å; A631-V634 PolarHBondContact O-N 3.39Å; A631-F635 WeakPolarHBondContact O-CB 3.3Å; A631-F635 PolarHBondContact O-N 3.32Å
632	R	92.8	Very high	92.2	Very high	8 Å²	8	37.4 Å²	37.4	3%	0.03	18%	0.184	C	C	.	.	H	α-helix	trans	-54.9	-50.9	-169.7	76.1	-171.2	-178.2	159.4	-4.3	113.3	L619 F620 K628 F636 C713 E715	L619-R632 HydrophobicContact CB-CB 3.99Å; F620-R632 HydrophobicContact CD1-CB 4.37Å; F620-R632 HydrophobicContact CD1-CG 4.29Å; F620-R632 HydrophobicContact CD2-CB 4.22Å; F620-R632 HydrophobicContact CE1-CB 4.08Å; F620-R632 HydrophobicContact CE1-CG 3.82Å; F620-R632 HydrophobicContact CE2-CB 3.95Å; F620-R632 HydrophobicContact CG-CB 4.43Å; F620-R632 HydrophobicContact CZ-CB 3.88Å; F620-R632 HydrophobicContact CZ-CG 3.97Å; K628-R632 WeakPolarHBondContact O-CB 3.37Å; K628-R632 PolarHBondContact O-N 3.38Å; R632-F636 PolarHBondContact O-N 3.49Å; R632-C713 PolarHBondContact NH2-O 2.88Å; R632-C713 VanDerWaalsContact NH2-O 3.1Å; R632-E715 IonicContact CZ-OE1 3.18Å; R632-E715 IonicContact NE-OE1 3.52Å; R632-E715 VanDerWaalsContact NH2-CD 3.28Å; R632-E715 IonicContact NH2-OE1 3.31Å; R632-E715 PolarHBondContact NH2-OE1 3.36Å; R632-E715 IonicContact NH2-OE2 2.8Å
633	Q	91.8	Very high	92.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-76.4	-41.9	-173.9	-68.6	-62.3	-3.7	0	0	111.5	A631 G637 W692 E715 M724 E785	A631-Q633 PolarHBondContact O-N 2.88Å; Q633-G637 PolarHBondContact O-N 3.02Å; Q633-W692 HydrophobicContact CB-CH2 3.83Å; Q633-W692 HydrophobicContact CB-CZ3 3.84Å; Q633-W692 HydrophobicContact CG-CH2 3.87Å; Q633-W692 HydrophobicContact CG-CZ3 4.37Å; Q633-E715 PolarHBondContact NE2-OE1 3.47Å; Q633-M724 HydrophobicContact CB-CE 4.21Å; Q633-M724 HydrophobicContact CB-SD 4.47Å; Q633-E785 VanDerWaalsContact CD-OE1 3.29Å; Q633-E785 VanDerWaalsContact NE2-CD 3.28Å; Q633-E785 PolarHBondContact NE2-OE1 3.18Å; Q633-E785 PolarHBondContact NE2-OE2 3.21Å; Q633-E785 PolarHBondContact OE1-OE1 3.3Å
634	V	93.3	Very high	93	Very high	25 Å²	25	30.5 Å²	30.5	15%	0.152	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-41.4	-179.1	176.7	0	0	0	0	110.7	R630 A631 G637 L638 C689 L693	R630-V634 WeakPolarHBondContact O-CG2 3.48Å; A631-V634 PolarHBondContact O-N 3.39Å; V634-G637 PolarHBondContact O-N 2.67Å; V634-L638 HydrophobicContact CG1-CD1 3.83Å; V634-L638 HydrophobicContact CG1-CG 4.33Å; V634-L638 WeakPolarHBondContact O-CB 3.47Å; V634-L638 VanDerWaalsContact O-CG 3.29Å; V634-L638 WeakPolarHBondContact O-CG 3.45Å; V634-L638 PolarHBondContact O-N 2.92Å; V634-C689 HydrophobicContact CG1-CB 4.25Å; V634-C689 HydrophobicContact CG2-CB 4.39Å; V634-L693 HydrophobicContact CG2-CD1 4.14Å; V634-L693 HydrophobicContact CG2-CD2 4.27Å; V634-L693 HydrophobicContact CG2-CG 4.29Å
635	F	95.1	Very high	93.3	Very high	83 Å²	83	29.5 Å²	29.5	36%	0.364	15%	0.149	S	C	.	.	H	α-helix	trans	-66.8	-45.4	-179.6	-171.7	-136.2	0	0	0	111.7	C612 S616 L619 A631 S639	C612-F635 HydrophobicContact CB-CE2 4.39Å; C612-F635 HydrophobicContact CB-CZ 4.23Å; S616-F635 VanDerWaalsContact CB-CD1 3.46Å; L619-F635 HydrophobicContact CD1-CB 4.26Å; L619-F635 HydrophobicContact CD1-CD1 3.77Å; L619-F635 HydrophobicContact CD1-CG 4.43Å; A631-F635 WeakPolarHBondContact O-CB 3.3Å; A631-F635 PolarHBondContact O-N 3.32Å; F635-S639 WeakPolarHBondContact O-CB 3.32Å; F635-S639 PolarHBondContact O-N 3.36Å; F635-S639 PolarHBondContact O-OG 3.36Å
636	F	94.9	Very high	93.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-48.6	171.5	166.1	-110	0	0	0	111.9	T613 R632 L638 S639 F640 L725 W766 I789	T613-F636 HydrophobicContact CG2-CD2 4.25Å; T613-F636 HydrophobicContact CG2-CE2 4.3Å; R632-F636 PolarHBondContact O-N 3.49Å; F636-L638 VanDerWaalsContact C-N 3.34Å; F636-L638 PolarHBondContact O-N 2.93Å; F636-S639 PolarHBondContact O-N 3.08Å; F636-S639 PolarHBondContact O-OG 3.24Å; F636-S639 VanDerWaalsContact O-OG 3.08Å; F636-F640 HydrophobicContact CD2-CB 4.22Å; F636-F640 HydrophobicContact CE2-CB 3.68Å; F636-F640 HydrophobicContact CE2-CD2 4.1Å; F636-F640 AromaticContact CE2-CG 3.89Å; F636-F640 HydrophobicContact CE2-CG 3.89Å; F636-F640 HydrophobicContact CZ-CB 4.03Å; F636-F640 HydrophobicContact CZ-CD1 4.48Å; F636-F640 HydrophobicContact CZ-CG 4.12Å; F636-F640 VanDerWaalsContact O-CB 3.31Å; F636-F640 WeakPolarHBondContact O-CB 3.46Å; F636-F640 PolarHBondContact O-N 2.89Å; F636-L725 HydrophobicContact CE1-CD2 4.11Å; F636-W766 AromaticContact CE1-CH2 3.69Å; F636-W766 HydrophobicContact CE1-CH2 3.69Å; F636-W766 AromaticContact CE1-CZ2 3.77Å; F636-W766 HydrophobicContact CE1-CZ2 3.77Å; F636-W766 HydrophobicContact CE2-CZ2 4.46Å; F636-W766 AromaticContact CZ-CH2 3.87Å; F636-W766 HydrophobicContact CZ-CH2 3.87Å; F636-W766 AromaticContact CZ-CZ2 3.43Å; F636-W766 HydrophobicContact CZ-CZ2 3.43Å; F636-W766 VanDerWaalsContact CZ-CZ2 3.43Å; F636-I789 HydrophobicContact CB-CD1 4.36Å; F636-I789 HydrophobicContact CD1-CD1 4.21Å; F636-I789 HydrophobicContact CD1-CG1 4.48Å; F636-I789 HydrophobicContact CD2-CB 4.39Å; F636-I789 HydrophobicContact CD2-CD1 3.75Å; F636-I789 HydrophobicContact CD2-CG1 3.75Å; F636-I789 HydrophobicContact CD2-CG2 3.78Å; F636-I789 HydrophobicContact CE1-CG1 4.38Å; F636-I789 HydrophobicContact CE2-CB 4.23Å; F636-I789 HydrophobicContact CE2-CD1 4.17Å; F636-I789 HydrophobicContact CE2-CG1 3.64Å; F636-I789 HydrophobicContact CE2-CG2 3.85Å; F636-I789 HydrophobicContact CG-CD1 3.81Å; F636-I789 HydrophobicContact CG-CG1 4.2Å; F636-I789 HydrophobicContact CZ-CG1 3.99Å
637	G	94.1	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-42.9	-176.6	0	0	0	0	0	112.6	Q633 V634 T641	Q633-G637 PolarHBondContact O-N 3.02Å; V634-G637 PolarHBondContact O-N 2.67Å; G637-T641 VanDerWaalsContact O-CB 3.27Å; G637-T641 WeakPolarHBondContact O-CB 3.32Å; G637-T641 PolarHBondContact O-N 2.64Å; G637-T641 VanDerWaalsContact O-N 3.1Å; G637-T641 PolarHBondContact O-OG1 3.12Å
638	L	95.7	Very high	93.7	Very high	55 Å²	55	20.8 Å²	20.8	29%	0.288	10%	0.103	S	C	.	.	H	α-helix	trans	-71.9	-44.8	177.1	-67.8	174.5	0	0	0	112.1	V634 F636 F640 T641 L642 M682 Q685 A686	V634-L638 HydrophobicContact CG1-CD1 3.83Å; V634-L638 HydrophobicContact CG1-CG 4.33Å; V634-L638 WeakPolarHBondContact O-CB 3.47Å; V634-L638 VanDerWaalsContact O-CG 3.29Å; V634-L638 WeakPolarHBondContact O-CG 3.45Å; V634-L638 PolarHBondContact O-N 2.92Å; F636-L638 VanDerWaalsContact C-N 3.34Å; F636-L638 PolarHBondContact O-N 2.93Å; L638-F640 VanDerWaalsContact C-N 3.34Å; L638-F640 PolarHBondContact O-N 3.03Å; L638-T641 PolarHBondContact O-N 2.86Å; L638-L642 PolarHBondContact O-N 3.01Å; L638-L642 VanDerWaalsContact O-N 3.09Å; L638-M682 HydrophobicContact CB-CE 4.24Å; L638-M682 HydrophobicContact CD2-CE 4.02Å; L638-M682 WeakPolarHBondContact O-CE 3.48Å; L638-Q685 HydrophobicContact CD2-CB 4.46Å; L638-Q685 HydrophobicContact CD2-CG 4.17Å; L638-A686 HydrophobicContact CD2-CB 4.48Å
639	S	96.3	Very high	93.7	Very high	7 Å²	7	17.3 Å²	17.3	5%	0.049	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-40.5	-179	71.8	0	0	0	0	112.1	T613 F635 F636 L642 S643	T613-S639 WeakPolarHBondContact CA-OG 3.38Å; T613-S639 WeakPolarHBondContact OG1-CB 3.38Å; T613-S639 PolarHBondContact OG1-OG 3.27Å; F635-S639 WeakPolarHBondContact O-CB 3.32Å; F635-S639 PolarHBondContact O-N 3.36Å; F635-S639 PolarHBondContact O-OG 3.36Å; F636-S639 PolarHBondContact O-N 3.08Å; F636-S639 PolarHBondContact O-OG 3.24Å; F636-S639 VanDerWaalsContact O-OG 3.08Å; S639-L642 PolarHBondContact O-N 3.5Å; S639-S643 PolarHBondContact O-N 3Å; S639-S643 PolarHBondContact O-OG 3.18Å
640	F	95.3	Very high	93.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-78.4	-33.8	-178.5	-160.2	-95.6	0	0	0	112.2	T613 F636 L638 L642 S643 V644 I728 Y762 I796	T613-F640 HydrophobicContact CG2-CD2 4.07Å; F636-F640 HydrophobicContact CD2-CB 4.22Å; F636-F640 HydrophobicContact CE2-CB 3.68Å; F636-F640 HydrophobicContact CE2-CD2 4.1Å; F636-F640 AromaticContact CE2-CG 3.89Å; F636-F640 HydrophobicContact CE2-CG 3.89Å; F636-F640 HydrophobicContact CZ-CB 4.03Å; F636-F640 HydrophobicContact CZ-CD1 4.48Å; F636-F640 HydrophobicContact CZ-CG 4.12Å; F636-F640 VanDerWaalsContact O-CB 3.31Å; F636-F640 WeakPolarHBondContact O-CB 3.46Å; F636-F640 PolarHBondContact O-N 2.89Å; L638-F640 VanDerWaalsContact C-N 3.34Å; L638-F640 PolarHBondContact O-N 3.03Å; F640-L642 VanDerWaalsContact C-N 3.29Å; F640-L642 PolarHBondContact O-N 3.43Å; F640-S643 WeakPolarHBondContact O-CB 3.42Å; F640-S643 PolarHBondContact O-N 3.14Å; F640-S643 VanDerWaalsContact O-N 3.12Å; F640-V644 HydrophobicContact CD1-CG2 3.82Å; F640-V644 HydrophobicContact CE1-CG2 3.47Å; F640-V644 VanDerWaalsContact CE1-CG2 3.47Å; F640-V644 HydrophobicContact CZ-CG2 4.18Å; F640-V644 WeakPolarHBondContact O-CG2 3.41Å; F640-V644 PolarHBondContact O-N 2.81Å; F640-I728 HydrophobicContact CD1-CG2 3.49Å; F640-I728 VanDerWaalsContact CD1-CG2 3.49Å; F640-I728 HydrophobicContact CE1-CG2 3.85Å; F640-Y762 HydrophobicContact CD1-CE2 4.13Å; F640-Y762 AromaticContact CE1-CD2 3.67Å; F640-Y762 HydrophobicContact CE1-CD2 3.67Å; F640-Y762 AromaticContact CE1-CE2 3.11Å; F640-Y762 HydrophobicContact CE1-CE2 3.11Å; F640-Y762 AromaticContact CE1-CZ 3.76Å; F640-Y762 AromaticContact CZ-CD2 3.43Å; F640-Y762 HydrophobicContact CZ-CD2 3.43Å; F640-Y762 VanDerWaalsContact CZ-CD2 3.43Å; F640-Y762 AromaticContact CZ-CE2 3.38Å; F640-Y762 HydrophobicContact CZ-CE2 3.38Å; F640-Y762 HydrophobicContact CZ-CG 4.43Å; F640-I796 HydrophobicContact CE2-CD1 3.8Å; F640-I796 HydrophobicContact CZ-CD1 3.94Å
641	T	96.4	Very high	93.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.9	-41.9	170	-61.9	0	0	0	0	111.4	G637 L638 S643 V644 S645 M682 Q685 Y727 I728 L731	G637-T641 VanDerWaalsContact O-CB 3.27Å; G637-T641 WeakPolarHBondContact O-CB 3.32Å; G637-T641 PolarHBondContact O-N 2.64Å; G637-T641 VanDerWaalsContact O-N 3.1Å; G637-T641 PolarHBondContact O-OG1 3.12Å; L638-T641 PolarHBondContact O-N 2.86Å; T641-S643 VanDerWaalsContact C-N 3.28Å; T641-S643 PolarHBondContact O-N 3.47Å; T641-V644 PolarHBondContact O-N 3.35Å; T641-S645 VanDerWaalsContact O-CB 3.27Å; T641-S645 WeakPolarHBondContact O-CB 3.49Å; T641-S645 PolarHBondContact O-N 3.46Å; T641-S645 PolarHBondContact O-OG 3.25Å; T641-M682 HydrophobicContact CG2-SD 3.74Å; T641-Q685 HydrophobicContact CG2-CB 3.81Å; T641-Q685 HydrophobicContact CG2-CG 4.28Å; T641-Q685 VanDerWaalsContact OG1-CG 3.29Å; T641-Q685 WeakPolarHBondContact OG1-CG 3.14Å; T641-Y727 HydrophobicContact CG2-CE1 4.25Å; T641-I728 WeakPolarHBondContact OG1-CG1 3.34Å; T641-L731 HydrophobicContact CG2-CD1 3.88Å
642	L	95.8	Very high	93.1	Very high	31 Å²	31	13.1 Å²	13.1	16%	0.162	7%	0.065	C	C	.	.	H	α-helix	trans	-60.3	-41.7	176.1	-177.8	58.8	0	0	0	111.1	V605 L638 S639 F640 S645 C646 I678 M682	V605-L642 HydrophobicContact CG1-CD1 3.83Å; V605-L642 HydrophobicContact CG1-CD2 4.21Å; V605-L642 HydrophobicContact CG1-CG 4.12Å; L638-L642 PolarHBondContact O-N 3.01Å; L638-L642 VanDerWaalsContact O-N 3.09Å; S639-L642 PolarHBondContact O-N 3.5Å; F640-L642 VanDerWaalsContact C-N 3.29Å; F640-L642 PolarHBondContact O-N 3.43Å; L642-S645 PolarHBondContact O-N 2.87Å; L642-C646 PolarHBondContact O-N 3.4Å; L642-C646 PolarHBondContact O-SG 3.28Å; L642-I678 HydrophobicContact CD1-CG2 3.66Å; L642-M682 VanDerWaalsContact CA-SD 3.57Å; L642-M682 HydrophobicContact CB-CE 4.35Å; L642-M682 HydrophobicContact CB-SD 3.72Å; L642-M682 HydrophobicContact CD1-CG 4.24Å; L642-M682 HydrophobicContact CD1-SD 4.23Å; L642-M682 PolarHBondContact N-SD 3.26Å; L642-M682 VanDerWaalsContact N-SD 3.41Å
643	S	94.6	Very high	92.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-51.8	176.8	-52.8	0	0	0	0	111.7	L606 S609 S639 F640 T641 S645 C646 I647	L606-S643 WeakPolarHBondContact CD1-O 3.36Å; S609-S643 VanDerWaalsContact CB-OG 3.32Å; S609-S643 WeakPolarHBondContact CB-OG 2.91Å; S609-S643 WeakPolarHBondContact OG-CA 3.37Å; S609-S643 WeakPolarHBondContact OG-CB 3.33Å; S609-S643 PolarHBondContact OG-N 2.93Å; S609-S643 PolarHBondContact OG-OG 3.32Å; S639-S643 PolarHBondContact O-N 3Å; S639-S643 PolarHBondContact O-OG 3.18Å; F640-S643 WeakPolarHBondContact O-CB 3.42Å; F640-S643 PolarHBondContact O-N 3.14Å; F640-S643 VanDerWaalsContact O-N 3.12Å; T641-S643 VanDerWaalsContact C-N 3.28Å; T641-S643 PolarHBondContact O-N 3.47Å; S643-S645 VanDerWaalsContact C-N 3.33Å; S643-S645 PolarHBondContact O-N 3.2Å; S643-C646 WeakPolarHBondContact O-CB 3.43Å; S643-C646 PolarHBondContact O-N 2.88Å; S643-I647 WeakPolarHBondContact O-CG1 3.47Å; S643-I647 PolarHBondContact O-N 2.61Å; S643-I647 VanDerWaalsContact O-N 3.11Å
644	V	94.7	Very high	92.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-35	-179.3	177.1	0	0	0	0	111.8	F640 T641 I647 L648 I728 L731 A732	F640-V644 HydrophobicContact CD1-CG2 3.82Å; F640-V644 HydrophobicContact CE1-CG2 3.47Å; F640-V644 VanDerWaalsContact CE1-CG2 3.47Å; F640-V644 HydrophobicContact CZ-CG2 4.18Å; F640-V644 WeakPolarHBondContact O-CG2 3.41Å; F640-V644 PolarHBondContact O-N 2.81Å; T641-V644 PolarHBondContact O-N 3.35Å; V644-I647 WeakPolarHBondContact O-CB 3.47Å; V644-I647 PolarHBondContact O-N 2.8Å; V644-L648 PolarHBondContact O-N 3.34Å; V644-I728 HydrophobicContact CG2-CG2 4.34Å; V644-L731 VanDerWaalsContact CG1-C 3.49Å; V644-L731 HydrophobicContact CG1-CB 3.65Å; V644-A732 HydrophobicContact CG1-CB 3.99Å; V644-A732 VanDerWaalsContact CG1-N 3.35Å
645	S	95.3	Very high	91.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-40.3	175.6	-57.4	0	0	0	0	111.9	T641 L642 S643 I647 L648 V649 C681	T641-S645 VanDerWaalsContact O-CB 3.27Å; T641-S645 WeakPolarHBondContact O-CB 3.49Å; T641-S645 PolarHBondContact O-N 3.46Å; T641-S645 PolarHBondContact O-OG 3.25Å; L642-S645 PolarHBondContact O-N 2.87Å; S643-S645 VanDerWaalsContact C-N 3.33Å; S643-S645 PolarHBondContact O-N 3.2Å; S645-I647 VanDerWaalsContact C-N 3.32Å; S645-I647 PolarHBondContact O-N 2.93Å; S645-L648 WeakPolarHBondContact O-CB 3.21Å; S645-L648 PolarHBondContact O-N 3.42Å; S645-V649 WeakPolarHBondContact O-CG2 3.48Å; S645-V649 PolarHBondContact O-N 3.31Å; S645-C681 WeakPolarHBondContact OG-CB 3.41Å
646	C	93.1	Very high	90.8	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-62.4	-41.4	173.3	-68.6	0	0	0	0	111.5	I602 L606 L642 S643 V649 K650	I602-C646 HydrophobicContact CG2-CB 3.72Å; L606-C646 HydrophobicContact CB-CB 3.95Å; L606-C646 HydrophobicContact CD1-CB 4.17Å; L606-C646 HydrophobicContact CG-CB 4.49Å; L642-C646 PolarHBondContact O-N 3.4Å; L642-C646 PolarHBondContact O-SG 3.28Å; S643-C646 WeakPolarHBondContact O-CB 3.43Å; S643-C646 PolarHBondContact O-N 2.88Å; C646-V649 PolarHBondContact O-N 3.27Å; C646-K650 WeakPolarHBondContact O-CB 3.39Å; C646-K650 PolarHBondContact O-N 3.14Å
647	I	92.2	Very high	89.8	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-63.6	-44.1	176.1	-66.5	170.4	0	0	0	110.7	L606 S643 V644 S645 V649 K650 S651 I755 M759 I796 Q800	L606-I647 HydrophobicContact CD1-CG1 4.29Å; L606-I647 HydrophobicContact CD2-CG1 4.24Å; S643-I647 WeakPolarHBondContact O-CG1 3.47Å; S643-I647 PolarHBondContact O-N 2.61Å; S643-I647 VanDerWaalsContact O-N 3.11Å; V644-I647 WeakPolarHBondContact O-CB 3.47Å; V644-I647 PolarHBondContact O-N 2.8Å; S645-I647 VanDerWaalsContact C-N 3.32Å; S645-I647 PolarHBondContact O-N 2.93Å; I647-V649 PolarHBondContact O-N 3.15Å; I647-K650 PolarHBondContact O-N 3.2Å; I647-S651 WeakPolarHBondContact O-CB 3.49Å; I647-S651 PolarHBondContact O-N 3.34Å; I647-S651 PolarHBondContact O-OG 2.91Å; I647-S651 VanDerWaalsContact O-OG 3.09Å; I647-I755 HydrophobicContact CG2-CG2 3.49Å; I647-I755 VanDerWaalsContact CG2-CG2 3.49Å; I647-M759 HydrophobicContact CD1-CE 3.43Å; I647-M759 VanDerWaalsContact CD1-CE 3.43Å; I647-M759 HydrophobicContact CD1-SD 4.25Å; I647-M759 HydrophobicContact CG2-SD 4.3Å; I647-I796 HydrophobicContact CD1-CD1 3.99Å; I647-I796 HydrophobicContact CD1-CG1 4.21Å; I647-I796 HydrophobicContact CD1-CG2 4.18Å; I647-Q800 VanDerWaalsContact CD1-NE2 3.3Å
648	L	91.3	Very high	88.7	Confident	22 Å²	22	17.7 Å²	17.7	12%	0.115	9%	0.093	C	C	.	.	H	α-helix	trans	-57.4	-48.4	176.9	-179.7	67.9	0	0	0	111.6	V644 S645 K650 S651 F652 L731 L734 L738	V644-L648 PolarHBondContact O-N 3.34Å; S645-L648 WeakPolarHBondContact O-CB 3.21Å; S645-L648 PolarHBondContact O-N 3.42Å; L648-K650 VanDerWaalsContact C-N 3.33Å; L648-K650 PolarHBondContact O-N 3.39Å; L648-S651 PolarHBondContact O-N 3Å; L648-F652 VanDerWaalsContact O-CB 3.28Å; L648-F652 WeakPolarHBondContact O-CB 3.13Å; L648-F652 PolarHBondContact O-N 2.78Å; L648-L731 HydrophobicContact CD2-CD2 4.42Å; L648-L734 HydrophobicContact CD1-CB 3.8Å; L648-L738 HydrophobicContact CD1-CD1 3.79Å
649	V	90.8	Very high	87.6	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-37.3	178.5	174.9	0	0	0	0	112	I602 S645 C646 I647 K653 Y672 P674 I677 I678	I602-V649 HydrophobicContact CD1-CB 4.34Å; I602-V649 HydrophobicContact CD1-CG1 3.48Å; I602-V649 VanDerWaalsContact CD1-CG1 3.48Å; S645-V649 WeakPolarHBondContact O-CG2 3.48Å; S645-V649 PolarHBondContact O-N 3.31Å; C646-V649 PolarHBondContact O-N 3.27Å; I647-V649 PolarHBondContact O-N 3.15Å; V649-K653 PolarHBondContact O-N 3.07Å; V649-Y672 HydrophobicContact CG1-CE2 3.91Å; V649-P674 HydrophobicContact CG1-CB 3.78Å; V649-P674 HydrophobicContact CG1-CG 4.04Å; V649-I677 HydrophobicContact CG2-CB 3.89Å; V649-I677 HydrophobicContact CG2-CD1 4.49Å; V649-I677 HydrophobicContact CG2-CG2 3.66Å; V649-I678 HydrophobicContact CG2-CD1 4.4Å; V649-I678 HydrophobicContact CG2-CG1 3.82Å
650	K	87.3	Confident	86.7	Confident	5 Å²	5	23 Å²	23	2%	0.022	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-46.9	176.4	-171.4	177.9	169.1	-166.1	0	111.1	V599 C646 I647 L648 K653 I654 D751 I755	V599-K650 HydrophobicContact CG2-CG 4.39Å; C646-K650 WeakPolarHBondContact O-CB 3.39Å; C646-K650 PolarHBondContact O-N 3.14Å; I647-K650 PolarHBondContact O-N 3.2Å; L648-K650 VanDerWaalsContact C-N 3.33Å; L648-K650 PolarHBondContact O-N 3.39Å; K650-K653 PolarHBondContact O-N 3.38Å; K650-I654 WeakPolarHBondContact O-CG1 3.49Å; K650-I654 PolarHBondContact O-N 2.8Å; K650-D751 WeakPolarHBondContact CE-OD2 3.38Å; K650-D751 IonicContact NZ-OD2 3.39Å; K650-D751 PolarHBondContact NZ-OD2 3.24Å; K650-I755 HydrophobicContact CD-CD1 4.07Å; K650-I755 HydrophobicContact CG-CD1 4.21Å
651	S	88.3	Confident	85.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-43.8	174.5	-62.2	0	0	0	0	111.8	I647 L648 K653 I654 I655 G735	I647-S651 WeakPolarHBondContact O-CB 3.49Å; I647-S651 PolarHBondContact O-N 3.34Å; I647-S651 PolarHBondContact O-OG 2.91Å; I647-S651 VanDerWaalsContact O-OG 3.09Å; L648-S651 PolarHBondContact O-N 3Å; S651-K653 VanDerWaalsContact C-N 3.33Å; S651-K653 PolarHBondContact O-N 3.4Å; S651-I654 WeakPolarHBondContact O-CB 3.35Å; S651-I654 PolarHBondContact O-N 3.15Å; S651-I654 VanDerWaalsContact O-N 3.16Å; S651-I655 PolarHBondContact O-N 3.17Å; S651-G735 PolarHBondContact OG-O 3.35Å
652	F	86.9	Confident	84.5	Confident	36 Å²	36	31.7 Å²	31.7	16%	0.158	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-38.1	179.7	-174.4	-132	0	0	0	112.2	L648 I654 I655 L656 L668 Y672 I677 L738	L648-F652 VanDerWaalsContact O-CB 3.28Å; L648-F652 WeakPolarHBondContact O-CB 3.13Å; L648-F652 PolarHBondContact O-N 2.78Å; F652-I654 VanDerWaalsContact C-N 3.33Å; F652-I654 PolarHBondContact O-N 2.76Å; F652-I655 PolarHBondContact O-N 2.8Å; F652-L656 VanDerWaalsContact O-CB 3.29Å; F652-L656 WeakPolarHBondContact O-CB 3.24Å; F652-L656 PolarHBondContact O-N 2.85Å; F652-L668 HydrophobicContact CE2-CD2 4.17Å; F652-L668 HydrophobicContact CZ-CD2 3.83Å; F652-Y672 AromaticContact CD1-CD2 3.46Å; F652-Y672 HydrophobicContact CD1-CD2 3.46Å; F652-Y672 VanDerWaalsContact CD1-CD2 3.46Å; F652-Y672 AromaticContact CD1-CE2 3.94Å; F652-Y672 HydrophobicContact CD1-CE2 3.94Å; F652-Y672 AromaticContact CE1-CD2 3.71Å; F652-Y672 HydrophobicContact CE1-CD2 3.71Å; F652-Y672 HydrophobicContact CG-CD2 4.48Å; F652-I677 HydrophobicContact CD1-CD1 4.32Å; F652-I677 HydrophobicContact CE1-CD1 4.48Å; F652-L738 HydrophobicContact CB-CD1 4.03Å; F652-L738 HydrophobicContact CD2-CD1 4.28Å
653	K	84.8	Confident	83.4	Confident	68 Å²	68	35.6 Å²	35.6	30%	0.296	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-40.9	173.7	-162.3	-170.4	176.1	-174.8	0	112.6	V599 V649 K650 S651 L656 A657 Y672	V599-K653 HydrophobicContact CB-CD 4.2Å; V599-K653 HydrophobicContact CG1-CD 3.89Å; V599-K653 HydrophobicContact CG2-CD 3.26Å; V599-K653 HydrophobicContact CG2-CG 4.5Å; V649-K653 PolarHBondContact O-N 3.07Å; K650-K653 PolarHBondContact O-N 3.38Å; S651-K653 VanDerWaalsContact C-N 3.33Å; S651-K653 PolarHBondContact O-N 3.4Å; K653-L656 PolarHBondContact O-N 3.07Å; K653-A657 WeakPolarHBondContact O-CB 3.26Å; K653-A657 PolarHBondContact O-N 3.27Å; K653-A657 VanDerWaalsContact O-N 3.1Å; K653-Y672 HydrophobicContact CB-CE2 3.98Å; K653-Y672 WeakPolarHBondContact CB-OH 3.48Å; K653-Y672 HydrophobicContact CG-CE1 4.2Å; K653-Y672 HydrophobicContact CG-CE2 4.42Å
654	I	79.9	Confident	82.5	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-47.3	-178.9	-67.9	168.3	0	0	0	109.6	K650 S651 F652 A657 F658 L745 D751 A752 I755	K650-I654 WeakPolarHBondContact O-CG1 3.49Å; K650-I654 PolarHBondContact O-N 2.8Å; S651-I654 WeakPolarHBondContact O-CB 3.35Å; S651-I654 PolarHBondContact O-N 3.15Å; S651-I654 VanDerWaalsContact O-N 3.16Å; F652-I654 VanDerWaalsContact C-N 3.33Å; F652-I654 PolarHBondContact O-N 2.76Å; I654-A657 PolarHBondContact O-N 3.42Å; I654-F658 WeakPolarHBondContact O-CD2 3.35Å; I654-F658 PolarHBondContact O-N 3.28Å; I654-L745 HydrophobicContact CG2-CD1 3.29Å; I654-D751 HydrophobicContact CD1-CB 4.11Å; I654-A752 HydrophobicContact CD1-CB 4.33Å; I654-A752 HydrophobicContact CG2-CB 4.36Å; I654-I755 HydrophobicContact CD1-CD1 4.3Å
655	I	79.3	Confident	81.5	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-40.9	178.4	-55.1	-62.1	0	0	0	111.7	S651 F652 A657 F658 E659 F660 L738 K741 G742	S651-I655 PolarHBondContact O-N 3.17Å; F652-I655 PolarHBondContact O-N 2.8Å; I655-A657 PolarHBondContact O-N 3.28Å; I655-F658 PolarHBondContact O-N 3.48Å; I655-E659 WeakPolarHBondContact CD1-OE2 3.23Å; I655-E659 HydrophobicContact CG2-CB 3.83Å; I655-E659 PolarHBondContact O-N 2.91Å; I655-F660 HydrophobicContact CB-CE2 4.31Å; I655-F660 HydrophobicContact CG2-CD2 4Å; I655-F660 HydrophobicContact CG2-CE2 3.37Å; I655-F660 HydrophobicContact CG2-CZ 3.9Å; I655-L738 WeakPolarHBondContact CD1-O 3.39Å; I655-L738 HydrophobicContact CG1-CB 4.42Å; I655-L738 WeakPolarHBondContact CG1-O 3.12Å; I655-K741 HydrophobicContact CD1-CB 3.82Å; I655-G742 VanDerWaalsContact CD1-CA 3.48Å
656	L	80	Confident	80.7	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-30.1	176.5	-174.9	59.7	0	0	0	113.1	F652 K653 Q665 L668 K669 Y672	F652-L656 VanDerWaalsContact O-CB 3.29Å; F652-L656 WeakPolarHBondContact O-CB 3.24Å; F652-L656 PolarHBondContact O-N 2.85Å; K653-L656 PolarHBondContact O-N 3.07Å; L656-Q665 HydrophobicContact CD1-CG 3.96Å; L656-Q665 HydrophobicContact CG-CG 4.49Å; L656-Q665 WeakPolarHBondContact O-CG 3.33Å; L656-Q665 PolarHBondContact O-NE2 3.4Å; L656-L668 HydrophobicContact CD1-CB 3.37Å; L656-L668 HydrophobicContact CD1-CD1 4.24Å; L656-L668 HydrophobicContact CD1-CG 4.44Å; L656-K669 HydrophobicContact CD1-CG 4.47Å; L656-K669 HydrophobicContact CD2-CG 4.05Å; L656-K669 HydrophobicContact CG-CG 4.42Å; L656-Y672 HydrophobicContact CD2-CD1 4.38Å; L656-Y672 HydrophobicContact CD2-CD2 4.2Å; L656-Y672 HydrophobicContact CD2-CG 3.85Å
657	A	74.6	Confident	80	Confident	49 Å²	49	48.4 Å²	48.4	41%	0.405	26%	0.263	S	S	.	.	H	α-helix	trans	-82	-27.3	-178.4	0	0	0	0	0	113.8	K653 I654 I655	K653-A657 WeakPolarHBondContact O-CB 3.26Å; K653-A657 PolarHBondContact O-N 3.27Å; K653-A657 VanDerWaalsContact O-N 3.1Å; I654-A657 PolarHBondContact O-N 3.42Å; I655-A657 PolarHBondContact O-N 3.28Å
658	F	70.5	Confident	79.3	Confident	71 Å²	71	50 Å²	50	31%	0.311	27%	0.272	S	S	.	.	H	α-helix	trans	-133	-15.3	-163.4	-64.3	-74.7	0	0	0	117	I654 I655 L745 Y749	I654-F658 WeakPolarHBondContact O-CD2 3.35Å; I654-F658 PolarHBondContact O-N 3.28Å; I655-F658 PolarHBondContact O-N 3.48Å; F658-L745 HydrophobicContact CB-CD1 4.08Å; F658-L745 HydrophobicContact CB-CD2 3.38Å; F658-L745 HydrophobicContact CB-CG 4.4Å; F658-L745 HydrophobicContact CD1-CD2 4.24Å; F658-L745 HydrophobicContact CD2-CD1 3.75Å; F658-L745 HydrophobicContact CD2-CD2 4.13Å; F658-L745 HydrophobicContact CG-CD1 4.14Å; F658-L745 HydrophobicContact CG-CD2 3.69Å; F658-Y749 AromaticContact CE2-CD1 3.87Å; F658-Y749 HydrophobicContact CE2-CD1 3.87Å; F658-Y749 HydrophobicContact CE2-CD2 4.08Å; F658-Y749 AromaticContact CE2-CE1 3.72Å; F658-Y749 HydrophobicContact CE2-CE1 3.72Å; F658-Y749 AromaticContact CE2-CE2 3.93Å; F658-Y749 HydrophobicContact CE2-CE2 3.93Å; F658-Y749 HydrophobicContact CE2-CG 4.04Å; F658-Y749 AromaticContact CE2-CZ 3.75Å; F658-Y749 AromaticContact CZ-CD2 3.89Å; F658-Y749 HydrophobicContact CZ-CD2 3.89Å; F658-Y749 HydrophobicContact CZ-CE1 4.34Å; F658-Y749 AromaticContact CZ-CE2 3.68Å; F658-Y749 HydrophobicContact CZ-CE2 3.68Å; F658-Y749 HydrophobicContact CZ-CG 4.29Å; F658-Y749 AromaticContact CZ-CZ 3.93Å
659	E	72	Confident	78.6	Confident	94 Å²	94	54.1 Å²	54.1	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-19.1	-171.1	-160.1	171.4	157.7	0	0	114.2	I655 K741	I655-E659 WeakPolarHBondContact CD1-OE2 3.23Å; I655-E659 HydrophobicContact CG2-CB 3.83Å; I655-E659 PolarHBondContact O-N 2.91Å; E659-K741 WeakPolarHBondContact OE2-CB 3.48Å
660	F	77.3	Confident	78	Confident	80 Å²	80	60.8 Å²	60.8	35%	0.351	32%	0.318	S	S	.	.	S	Bend	trans	-98.6	146.5	-177.9	-65.6	-70.2	0	0	0	112.9	I655 T664 L668	I655-F660 HydrophobicContact CB-CE2 4.31Å; I655-F660 HydrophobicContact CG2-CD2 4Å; I655-F660 HydrophobicContact CG2-CE2 3.37Å; I655-F660 HydrophobicContact CG2-CZ 3.9Å; F660-T664 HydrophobicContact CB-CG2 4.22Å; F660-T664 HydrophobicContact CD1-CG2 3.77Å; F660-T664 HydrophobicContact CE1-CG2 4.46Å; F660-T664 HydrophobicContact CG-CG2 4.18Å; F660-L668 HydrophobicContact CB-CD1 4.49Å; F660-L668 HydrophobicContact CD1-CD1 4.03Å; F660-L668 HydrophobicContact CD2-CD1 3.72Å; F660-L668 HydrophobicContact CE1-CD1 4.12Å; F660-L668 HydrophobicContact CE2-CD1 3.78Å; F660-L668 HydrophobicContact CG-CD1 3.83Å; F660-L668 HydrophobicContact CZ-CD1 4Å
661	D	73.1	Confident	77.7	Confident	77 Å²	77	64.9 Å²	64.9	41%	0.412	34%	0.343	S	S	.	.			trans	-63.7	156.5	173.1	66.7	-84.2	0	0	0	111.8	V663 T664 Q665	D661-V663 PolarHBondContact O-N 3.18Å; D661-V663 VanDerWaalsContact O-N 3.11Å; D661-V663 WeakPolarHBondContact OD2-CB 3.47Å; D661-V663 PolarHBondContact OD2-N 3.42Å; D661-V663 VanDerWaalsContact OD2-N 3.15Å; D661-T664 VanDerWaalsContact CG-OG1 3.25Å; D661-T664 PolarHBondContact O-N 2.87Å; D661-T664 WeakPolarHBondContact OD1-CB 3.22Å; D661-T664 PolarHBondContact OD1-OG1 3.32Å; D661-T664 PolarHBondContact OD2-N 3.07Å; D661-T664 PolarHBondContact OD2-OG1 2.93Å; D661-Q665 VanDerWaalsContact O-CB 3.29Å; D661-Q665 WeakPolarHBondContact O-CB 3.42Å; D661-Q665 PolarHBondContact O-N 2.87Å
662	P	72.4	Confident	77.4	Confident	106 Å²	106	66.7 Å²	66.7	69%	0.688	35%	0.35	S	S	*	.	H	α-helix	trans	-58.2	-29.5	-173.4	-24.5	33.6	0	0	0	114.7	D666	P662-D666 PolarHBondContact O-N 3.3Å
663	V	73.7	Confident	77.5	Confident	112 Å²	112	71.4 Å²	71.4	68%	0.679	37%	0.371	S	S	*	.	H	α-helix	trans	-75.8	-48.6	-179.2	-178.1	0	0	0	0	109.9	D661 Q665 D666 V667	D661-V663 PolarHBondContact O-N 3.18Å; D661-V663 VanDerWaalsContact O-N 3.11Å; D661-V663 WeakPolarHBondContact OD2-CB 3.47Å; D661-V663 PolarHBondContact OD2-N 3.42Å; D661-V663 VanDerWaalsContact OD2-N 3.15Å; V663-Q665 VanDerWaalsContact C-N 3.26Å; V663-Q665 PolarHBondContact O-N 2.66Å; V663-D666 PolarHBondContact O-N 3.12Å; V663-V667 PolarHBondContact O-N 3.46Å
664	T	74.8	Confident	77.5	Confident	53 Å²	53	69.5 Å²	69.5	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-34	174	-58	0	0	0	0	111.5	F660 D661 V667 L668	F660-T664 HydrophobicContact CB-CG2 4.22Å; F660-T664 HydrophobicContact CD1-CG2 3.77Å; F660-T664 HydrophobicContact CE1-CG2 4.46Å; F660-T664 HydrophobicContact CG-CG2 4.18Å; D661-T664 VanDerWaalsContact CG-OG1 3.25Å; D661-T664 PolarHBondContact O-N 2.87Å; D661-T664 WeakPolarHBondContact OD1-CB 3.22Å; D661-T664 PolarHBondContact OD1-OG1 3.32Å; D661-T664 PolarHBondContact OD2-N 3.07Å; D661-T664 PolarHBondContact OD2-OG1 2.93Å; T664-V667 PolarHBondContact O-N 2.75Å; T664-L668 HydrophobicContact CG2-CD1 3.49Å; T664-L668 VanDerWaalsContact CG2-CD1 3.49Å; T664-L668 HydrophobicContact CG2-CG 4.36Å; T664-L668 WeakPolarHBondContact O-CB 3.43Å; T664-L668 WeakPolarHBondContact O-CD1 3.38Å; T664-L668 WeakPolarHBondContact O-CG 3.05Å; T664-L668 PolarHBondContact O-N 2.86Å
665	Q	74.6	Confident	77.9	Confident	42 Å²	42	73.8 Å²	73.8	20%	0.196	39%	0.394	C	S	.	.	H	α-helix	trans	-64.8	-39.8	176.5	-159	-170.9	34.6	0	0	112.8	L656 D661 V663 K669	L656-Q665 HydrophobicContact CD1-CG 3.96Å; L656-Q665 HydrophobicContact CG-CG 4.49Å; L656-Q665 WeakPolarHBondContact O-CG 3.33Å; L656-Q665 PolarHBondContact O-NE2 3.4Å; D661-Q665 VanDerWaalsContact O-CB 3.29Å; D661-Q665 WeakPolarHBondContact O-CB 3.42Å; D661-Q665 PolarHBondContact O-N 2.87Å; V663-Q665 VanDerWaalsContact C-N 3.26Å; V663-Q665 PolarHBondContact O-N 2.66Å; Q665-K669 VanDerWaalsContact CD-NZ 3.31Å; Q665-K669 HydrophobicContact CG-CD 4.24Å; Q665-K669 VanDerWaalsContact O-CB 3.24Å; Q665-K669 WeakPolarHBondContact O-CB 3.44Å; Q665-K669 WeakPolarHBondContact O-CD 3.32Å; Q665-K669 WeakPolarHBondContact O-CG 3.42Å; Q665-K669 PolarHBondContact O-N 2.79Å; Q665-K669 VanDerWaalsContact OE1-NZ 3.14Å
666	D	77.6	Confident	78.4	Confident	87 Å²	87	76.3 Å²	76.3	47%	0.465	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-38.7	177.7	-168.7	63.4	0	0	0	112.1	P662 V663 K670	P662-D666 PolarHBondContact O-N 3.3Å; V663-D666 PolarHBondContact O-N 3.12Å; D666-K670 PolarHBondContact O-N 3.25Å; D666-K670 IonicContact OD2-NZ 2.96Å; D666-K670 PolarHBondContact OD2-NZ 3.3Å
667	V	77.8	Confident	78.9	Confident	88 Å²	88	77.5 Å²	77.5	53%	0.533	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-50.4	175.7	178.4	0	0	0	0	111	V663 T664 K669 K670 V671	V663-V667 PolarHBondContact O-N 3.46Å; T664-V667 PolarHBondContact O-N 2.75Å; V667-K669 VanDerWaalsContact C-N 3.3Å; V667-K669 PolarHBondContact O-N 2.81Å; V667-K670 WeakPolarHBondContact O-CB 3.45Å; V667-K670 PolarHBondContact O-N 3.31Å; V667-K670 VanDerWaalsContact O-N 3.13Å; V667-V671 PolarHBondContact O-N 3.45Å
668	L	77.9	Confident	79.8	Confident	36 Å²	36	76.2 Å²	76.2	19%	0.188	41%	0.407	C	S	.	.	H	α-helix	trans	-67.2	-29	-179.7	-73.4	158.7	0	0	0	112.6	F652 L656 F660 T664 K670 V671 Y672	F652-L668 HydrophobicContact CE2-CD2 4.17Å; F652-L668 HydrophobicContact CZ-CD2 3.83Å; L656-L668 HydrophobicContact CD1-CB 3.37Å; L656-L668 HydrophobicContact CD1-CD1 4.24Å; L656-L668 HydrophobicContact CD1-CG 4.44Å; F660-L668 HydrophobicContact CB-CD1 4.49Å; F660-L668 HydrophobicContact CD1-CD1 4.03Å; F660-L668 HydrophobicContact CD2-CD1 3.72Å; F660-L668 HydrophobicContact CE1-CD1 4.12Å; F660-L668 HydrophobicContact CE2-CD1 3.78Å; F660-L668 HydrophobicContact CG-CD1 3.83Å; F660-L668 HydrophobicContact CZ-CD1 4Å; T664-L668 HydrophobicContact CG2-CD1 3.49Å; T664-L668 VanDerWaalsContact CG2-CD1 3.49Å; T664-L668 HydrophobicContact CG2-CG 4.36Å; T664-L668 WeakPolarHBondContact O-CB 3.43Å; T664-L668 WeakPolarHBondContact O-CD1 3.38Å; T664-L668 WeakPolarHBondContact O-CG 3.05Å; T664-L668 PolarHBondContact O-N 2.86Å; L668-K670 VanDerWaalsContact C-N 3.3Å; L668-K670 PolarHBondContact O-N 2.97Å; L668-V671 CarbonylContact O-C 3.47Å; L668-V671 PolarHBondContact O-N 2.94Å; L668-V671 VanDerWaalsContact O-N 3.15Å; L668-Y672 WeakPolarHBondContact O-CB 3.24Å; L668-Y672 PolarHBondContact O-N 3.31Å
669	K	77	Confident	80.9	Confident	108 Å²	108	75.6 Å²	75.6	47%	0.47	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-34.3	171.6	-83.8	169.8	179.2	163.1	0	112.4	L656 Q665 V667 V671 Y672	L656-K669 HydrophobicContact CD1-CG 4.47Å; L656-K669 HydrophobicContact CD2-CG 4.05Å; L656-K669 HydrophobicContact CG-CG 4.42Å; Q665-K669 VanDerWaalsContact CD-NZ 3.31Å; Q665-K669 HydrophobicContact CG-CD 4.24Å; Q665-K669 VanDerWaalsContact O-CB 3.24Å; Q665-K669 WeakPolarHBondContact O-CB 3.44Å; Q665-K669 WeakPolarHBondContact O-CD 3.32Å; Q665-K669 WeakPolarHBondContact O-CG 3.42Å; Q665-K669 PolarHBondContact O-N 2.79Å; Q665-K669 VanDerWaalsContact OE1-NZ 3.14Å; V667-K669 VanDerWaalsContact C-N 3.3Å; V667-K669 PolarHBondContact O-N 2.81Å; K669-V671 VanDerWaalsContact C-N 3.32Å; K669-Y672 PolarHBondContact O-N 2.83Å
670	K	78.8	Confident	81.9	Confident	141 Å²	141	77.4 Å²	77.4	61%	0.613	43%	0.427	S	S	*	.	H	α-helix	trans	-68.7	-31.3	173.7	-68.9	169.1	-172	152.1	0	112.4	D666 V667 L668	D666-K670 PolarHBondContact O-N 3.25Å; D666-K670 IonicContact OD2-NZ 2.96Å; D666-K670 PolarHBondContact OD2-NZ 3.3Å; V667-K670 WeakPolarHBondContact O-CB 3.45Å; V667-K670 PolarHBondContact O-N 3.31Å; V667-K670 VanDerWaalsContact O-N 3.13Å; L668-K670 VanDerWaalsContact C-N 3.3Å; L668-K670 PolarHBondContact O-N 2.97Å
671	V	79.8	Confident	82.8	Confident	91 Å²	91	74 Å²	74	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-80.2	-28	176.2	179	0	0	0	0	112.1	V667 L668 K669 K673	V667-V671 PolarHBondContact O-N 3.45Å; L668-V671 CarbonylContact O-C 3.47Å; L668-V671 PolarHBondContact O-N 2.94Å; L668-V671 VanDerWaalsContact O-N 3.15Å; K669-V671 VanDerWaalsContact C-N 3.32Å; V671-K673 VanDerWaalsContact C-N 3.32Å; V671-K673 PolarHBondContact O-N 3.26Å
672	Y	83.8	Confident	83.8	Confident	38 Å²	38	72.4 Å²	72.4	15%	0.149	40%	0.404	C	S	.	.			trans	-72	80.8	-180	-172.1	-103.4	0	0	0	112.4	V649 F652 K653 L656 L668 K669 P674	V649-Y672 HydrophobicContact CG1-CE2 3.91Å; F652-Y672 AromaticContact CD1-CD2 3.46Å; F652-Y672 HydrophobicContact CD1-CD2 3.46Å; F652-Y672 VanDerWaalsContact CD1-CD2 3.46Å; F652-Y672 AromaticContact CD1-CE2 3.94Å; F652-Y672 HydrophobicContact CD1-CE2 3.94Å; F652-Y672 AromaticContact CE1-CD2 3.71Å; F652-Y672 HydrophobicContact CE1-CD2 3.71Å; F652-Y672 HydrophobicContact CG-CD2 4.48Å; K653-Y672 HydrophobicContact CB-CE2 3.98Å; K653-Y672 WeakPolarHBondContact CB-OH 3.48Å; K653-Y672 HydrophobicContact CG-CE1 4.2Å; K653-Y672 HydrophobicContact CG-CE2 4.42Å; L656-Y672 HydrophobicContact CD2-CD1 4.38Å; L656-Y672 HydrophobicContact CD2-CD2 4.2Å; L656-Y672 HydrophobicContact CD2-CG 3.85Å; L668-Y672 WeakPolarHBondContact O-CB 3.24Å; L668-Y672 PolarHBondContact O-N 3.31Å; K669-Y672 PolarHBondContact O-N 2.83Å; Y672-P674 HydrophobicContact CD1-CG 4.15Å; Y672-P674 HydrophobicContact CE1-CG 3.52Å; Y672-P674 HydrophobicContact CE2-CG 4.32Å; Y672-P674 WeakPolarHBondContact O-CD 3.43Å
673	K	87	Confident	84.9	Confident	135 Å²	135	69.8 Å²	69.8	59%	0.587	39%	0.391	S	S	*	.			trans	-113.8	89.7	170.2	-66.6	-174.9	-177.8	179.5	0	109.6	V671 A676 I677	V671-K673 VanDerWaalsContact C-N 3.32Å; V671-K673 PolarHBondContact O-N 3.26Å; K673-A676 HydrophobicContact CB-CB 3.9Å; K673-A676 WeakPolarHBondContact O-CB 3.49Å; K673-A676 PolarHBondContact O-N 3.49Å; K673-I677 PolarHBondContact O-N 2.76Å; K673-I677 VanDerWaalsContact O-N 3.07Å
674	P	86.4	Confident	85.9	Confident	28 Å²	28	65.5 Å²	65.5	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-44.6	-52.5	-176	-33.2	38	0	0	0	116.3	I602 V649 Y672 A676 I677 I678	I602-P674 HydrophobicContact CD1-CB 3.75Å; I602-P674 HydrophobicContact CD1-CG 4.27Å; V649-P674 HydrophobicContact CG1-CB 3.78Å; V649-P674 HydrophobicContact CG1-CG 4.04Å; Y672-P674 HydrophobicContact CD1-CG 4.15Å; Y672-P674 HydrophobicContact CE1-CG 3.52Å; Y672-P674 HydrophobicContact CE2-CG 4.32Å; Y672-P674 WeakPolarHBondContact O-CD 3.43Å; P674-A676 VanDerWaalsContact C-N 3.3Å; P674-A676 PolarHBondContact O-N 3.46Å; P674-I677 PolarHBondContact O-N 3.13Å; P674-I678 WeakPolarHBondContact O-CG1 3.41Å; P674-I678 PolarHBondContact O-N 3.43Å; P674-I678 VanDerWaalsContact O-N 3.12Å
675	P	87.7	Confident	86.9	Confident	101 Å²	101	63 Å²	63	66%	0.656	35%	0.354	S	S	*	.	H	α-helix	trans	-66.1	-32.1	-179.1	26.3	-35	0	0	0	112.8	A679	P675-A679 WeakPolarHBondContact O-CB 3.16Å; P675-A679 PolarHBondContact O-N 3.38Å
676	A	89.3	Confident	87.9	Confident	55 Å²	55	62.9 Å²	62.9	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-71.5	-39.2	179	0	0	0	0	0	112	K673 P674 A679 L680	K673-A676 HydrophobicContact CB-CB 3.9Å; K673-A676 WeakPolarHBondContact O-CB 3.49Å; K673-A676 PolarHBondContact O-N 3.49Å; P674-A676 VanDerWaalsContact C-N 3.3Å; P674-A676 PolarHBondContact O-N 3.46Å; A676-A679 PolarHBondContact O-N 3.35Å; A676-L680 WeakPolarHBondContact O-CB 2.84Å; A676-L680 PolarHBondContact O-N 3.08Å
677	I	90.6	Very high	88.8	Confident	36 Å²	36	62.9 Å²	62.9	19%	0.185	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-47.1	176.3	-62.3	169.2	0	0	0	110.2	V649 F652 K673 P674 A679 L680 C681	V649-I677 HydrophobicContact CG2-CB 3.89Å; V649-I677 HydrophobicContact CG2-CD1 4.49Å; V649-I677 HydrophobicContact CG2-CG2 3.66Å; F652-I677 HydrophobicContact CD1-CD1 4.32Å; F652-I677 HydrophobicContact CE1-CD1 4.48Å; K673-I677 PolarHBondContact O-N 2.76Å; K673-I677 VanDerWaalsContact O-N 3.07Å; P674-I677 PolarHBondContact O-N 3.13Å; I677-A679 PolarHBondContact O-N 3.19Å; I677-L680 PolarHBondContact O-N 3.33Å; I677-C681 PolarHBondContact O-N 2.78Å; I677-C681 PolarHBondContact O-SG 2.96Å; I677-C681 VanDerWaalsContact O-SG 3.37Å
678	I	93.4	Very high	89.6	Confident	22 Å²	22	60.6 Å²	60.6	11%	0.113	35%	0.349	C	S	.	.	H	α-helix	trans	-62.6	-44.6	178.1	-62.2	171.8	0	0	0	110.4	I602 L642 V649 P674 L680 C681 M682	I602-I678 HydrophobicContact CG2-CD1 4.45Å; L642-I678 HydrophobicContact CD1-CG2 3.66Å; V649-I678 HydrophobicContact CG2-CD1 4.4Å; V649-I678 HydrophobicContact CG2-CG1 3.82Å; P674-I678 WeakPolarHBondContact O-CG1 3.41Å; P674-I678 PolarHBondContact O-N 3.43Å; P674-I678 VanDerWaalsContact O-N 3.12Å; I678-L680 VanDerWaalsContact C-N 3.32Å; I678-L680 PolarHBondContact O-N 3.09Å; I678-C681 PolarHBondContact O-N 2.99Å; I678-M682 HydrophobicContact CG2-CG 4.31Å; I678-M682 WeakPolarHBondContact O-CB 3.49Å; I678-M682 VanDerWaalsContact O-CG 3.31Å; I678-M682 WeakPolarHBondContact O-CG 3.34Å; I678-M682 PolarHBondContact O-N 3.15Å
679	A	93.4	Very high	90.3	Very high	58 Å²	58	59 Å²	59	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-39.6	177.5	0	0	0	0	0	112.3	P675 A676 I677 M682 A683	P675-A679 WeakPolarHBondContact O-CB 3.16Å; P675-A679 PolarHBondContact O-N 3.38Å; A676-A679 PolarHBondContact O-N 3.35Å; I677-A679 PolarHBondContact O-N 3.19Å; A679-M682 PolarHBondContact O-N 2.91Å; A679-A683 VanDerWaalsContact O-CB 3.28Å; A679-A683 WeakPolarHBondContact O-CB 3.17Å; A679-A683 PolarHBondContact O-N 3.24Å
680	L	94.3	Very high	91	Very high	131 Å²	131	57.6 Å²	57.6	69%	0.686	34%	0.342	S	S	*	.	H	α-helix	trans	-64.6	-45.9	176.6	-178.6	65	0	0	0	112	A676 I677 I678 M682 A683 G684	A676-L680 WeakPolarHBondContact O-CB 2.84Å; A676-L680 PolarHBondContact O-N 3.08Å; I677-L680 PolarHBondContact O-N 3.33Å; I678-L680 VanDerWaalsContact C-N 3.32Å; I678-L680 PolarHBondContact O-N 3.09Å; L680-M682 VanDerWaalsContact C-N 3.34Å; L680-M682 PolarHBondContact O-N 3.44Å; L680-A683 PolarHBondContact O-N 2.9Å; L680-G684 PolarHBondContact O-N 3.32Å
681	C	94.6	Very high	91.7	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-41.1	176.1	-66.6	0	0	0	0	111.9	S645 I677 I678 G684 Q685 Y727 L731	S645-C681 WeakPolarHBondContact OG-CB 3.41Å; I677-C681 PolarHBondContact O-N 2.78Å; I677-C681 PolarHBondContact O-SG 2.96Å; I677-C681 VanDerWaalsContact O-SG 3.37Å; I678-C681 PolarHBondContact O-N 2.99Å; C681-G684 PolarHBondContact O-N 3.44Å; C681-Q685 PolarHBondContact O-N 3.11Å; C681-Y727 WeakPolarHBondContact CA-OH 3.49Å; C681-Y727 WeakPolarHBondContact O-CE1 3.47Å; C681-Y727 PolarHBondContact O-OH 2.57Å; C681-L731 HydrophobicContact CB-CD1 4.04Å; C681-L731 HydrophobicContact CB-CD2 4.48Å
682	M	96.1	Very high	92.3	Very high	42 Å²	42	51.1 Å²	51.1	21%	0.207	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-39.8	176.4	-72.8	-56.9	-59.7	0	0	112.6	L638 T641 L642 I678 A679 L680 G684 Q685 A686	L638-M682 HydrophobicContact CB-CE 4.24Å; L638-M682 HydrophobicContact CD2-CE 4.02Å; L638-M682 WeakPolarHBondContact O-CE 3.48Å; T641-M682 HydrophobicContact CG2-SD 3.74Å; L642-M682 VanDerWaalsContact CA-SD 3.57Å; L642-M682 HydrophobicContact CB-CE 4.35Å; L642-M682 HydrophobicContact CB-SD 3.72Å; L642-M682 HydrophobicContact CD1-CG 4.24Å; L642-M682 HydrophobicContact CD1-SD 4.23Å; L642-M682 PolarHBondContact N-SD 3.26Å; L642-M682 VanDerWaalsContact N-SD 3.41Å; I678-M682 HydrophobicContact CG2-CG 4.31Å; I678-M682 WeakPolarHBondContact O-CB 3.49Å; I678-M682 VanDerWaalsContact O-CG 3.31Å; I678-M682 WeakPolarHBondContact O-CG 3.34Å; I678-M682 PolarHBondContact O-N 3.15Å; A679-M682 PolarHBondContact O-N 2.91Å; L680-M682 VanDerWaalsContact C-N 3.34Å; L680-M682 PolarHBondContact O-N 3.44Å; M682-G684 VanDerWaalsContact C-N 3.31Å; M682-G684 PolarHBondContact O-N 2.84Å; M682-Q685 PolarHBondContact O-N 3.49Å; M682-A686 WeakPolarHBondContact O-CB 2.91Å; M682-A686 PolarHBondContact O-N 3.4Å
683	A	95.3	Very high	92.7	Very high	51 Å²	51	52.4 Å²	52.4	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-41.6	175.9	0	0	0	0	0	111.3	A679 L680 Q685 A686 V687	A679-A683 VanDerWaalsContact O-CB 3.28Å; A679-A683 WeakPolarHBondContact O-CB 3.17Å; A679-A683 PolarHBondContact O-N 3.24Å; L680-A683 PolarHBondContact O-N 2.9Å; A683-Q685 PolarHBondContact O-N 3.16Å; A683-A686 PolarHBondContact O-N 3.41Å; A683-V687 WeakPolarHBondContact O-CG2 3.17Å; A683-V687 PolarHBondContact O-N 2.93Å
684	G	94.8	Very high	92.8	Very high	22 Å²	22	51 Å²	51	23%	0.227	33%	0.33	C	S	.	.	H	α-helix	trans	-56.8	-50.3	174.5	0	0	0	0	0	112.4	L680 C681 M682 A686 V687 V688	L680-G684 PolarHBondContact O-N 3.32Å; C681-G684 PolarHBondContact O-N 3.44Å; M682-G684 VanDerWaalsContact C-N 3.31Å; M682-G684 PolarHBondContact O-N 2.84Å; G684-A686 PolarHBondContact O-N 3.31Å; G684-V687 PolarHBondContact O-N 3.34Å; G684-V688 WeakPolarHBondContact O-CG2 3.23Å; G684-V688 PolarHBondContact O-N 2.89Å; G684-V688 VanDerWaalsContact O-N 3.1Å
685	Q	95.7	Very high	92.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-67.1	-37.4	178.4	-170.3	72.8	-17.8	0	0	112.9	L638 T641 C681 M682 A683 V687 V688 C689 M724 Y727	L638-Q685 HydrophobicContact CD2-CB 4.46Å; L638-Q685 HydrophobicContact CD2-CG 4.17Å; T641-Q685 HydrophobicContact CG2-CB 3.81Å; T641-Q685 HydrophobicContact CG2-CG 4.28Å; T641-Q685 VanDerWaalsContact OG1-CG 3.29Å; T641-Q685 WeakPolarHBondContact OG1-CG 3.14Å; C681-Q685 PolarHBondContact O-N 3.11Å; M682-Q685 PolarHBondContact O-N 3.49Å; A683-Q685 PolarHBondContact O-N 3.16Å; Q685-V687 VanDerWaalsContact C-N 3.3Å; Q685-V687 PolarHBondContact O-N 3.07Å; Q685-V688 PolarHBondContact O-N 3.04Å; Q685-C689 PolarHBondContact O-N 3.23Å; Q685-C689 PolarHBondContact O-SG 2.98Å; Q685-C689 VanDerWaalsContact O-SG 3.41Å; Q685-M724 PolarHBondContact NE2-O 3.13Å; Q685-M724 VanDerWaalsContact NE2-O 3.14Å; Q685-Y727 HydrophobicContact CB-CD1 4Å; Q685-Y727 HydrophobicContact CB-CE1 3.88Å; Q685-Y727 HydrophobicContact CG-CD1 4.49Å
686	A	95.5	Very high	92.9	Very high	40 Å²	40	58.4 Å²	58.4	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-39.3	175.6	0	0	0	0	0	111.8	L638 M682 A683 G684 C689 T690	L638-A686 HydrophobicContact CD2-CB 4.48Å; M682-A686 WeakPolarHBondContact O-CB 2.91Å; M682-A686 PolarHBondContact O-N 3.4Å; A683-A686 PolarHBondContact O-N 3.41Å; G684-A686 PolarHBondContact O-N 3.31Å; A686-C689 PolarHBondContact O-N 3.33Å; A686-T690 WeakPolarHBondContact O-CB 3.22Å; A686-T690 VanDerWaalsContact O-CG2 3.29Å; A686-T690 WeakPolarHBondContact O-CG2 3.37Å; A686-T690 PolarHBondContact O-N 3Å; A686-T690 PolarHBondContact O-OG1 3.39Å
687	V	95.3	Very high	92.9	Very high	87 Å²	87	56.5 Å²	56.5	53%	0.527	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-46.4	173.2	172.2	0	0	0	0	110.9	A683 G684 Q685 C689 T690 V691	A683-V687 WeakPolarHBondContact O-CG2 3.17Å; A683-V687 PolarHBondContact O-N 2.93Å; G684-V687 PolarHBondContact O-N 3.34Å; Q685-V687 VanDerWaalsContact C-N 3.3Å; Q685-V687 PolarHBondContact O-N 3.07Å; V687-C689 PolarHBondContact O-N 3.14Å; V687-T690 WeakPolarHBondContact CA-OG1 3.44Å; V687-T690 PolarHBondContact O-N 3.5Å; V687-T690 PolarHBondContact O-OG1 3.39Å; V687-V691 HydrophobicContact CG1-CG2 4.3Å; V687-V691 WeakPolarHBondContact O-CB 3.47Å; V687-V691 VanDerWaalsContact O-CG2 3.27Å; V687-V691 WeakPolarHBondContact O-CG2 3.38Å; V687-V691 PolarHBondContact O-N 3.01Å
688	V	94.1	Very high	92.9	Very high	40 Å²	40	54.9 Å²	54.9	24%	0.242	32%	0.321	C	S	.	.	H	α-helix	trans	-58.9	-46.9	177.6	174.8	0	0	0	0	111.3	G684 Q685 W692 A723 M724	G684-V688 WeakPolarHBondContact O-CG2 3.23Å; G684-V688 PolarHBondContact O-N 2.89Å; G684-V688 VanDerWaalsContact O-N 3.1Å; Q685-V688 PolarHBondContact O-N 3.04Å; V688-W692 PolarHBondContact O-N 2.76Å; V688-W692 VanDerWaalsContact O-N 3.07Å; V688-A723 HydrophobicContact CG1-CB 4.44Å; V688-M724 HydrophobicContact CG1-CB 4.21Å
689	C	93.8	Very high	92.8	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.027	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-42.2	178.4	-69.5	0	0	0	0	112.8	V634 Q685 A686 V687 W692 L693	V634-C689 HydrophobicContact CG1-CB 4.25Å; V634-C689 HydrophobicContact CG2-CB 4.39Å; Q685-C689 PolarHBondContact O-N 3.23Å; Q685-C689 PolarHBondContact O-SG 2.98Å; Q685-C689 VanDerWaalsContact O-SG 3.41Å; A686-C689 PolarHBondContact O-N 3.33Å; V687-C689 PolarHBondContact O-N 3.14Å; C689-W692 PolarHBondContact O-N 3.22Å; C689-L693 WeakPolarHBondContact O-CG 3.49Å; C689-L693 PolarHBondContact O-N 3.24Å
690	T	92.4	Very high	92.7	Very high	77 Å²	77	60.2 Å²	60.2	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-39.5	179.6	47.9	0	0	0	0	112.4	A686 V687 W692 L693 S694	A686-T690 WeakPolarHBondContact O-CB 3.22Å; A686-T690 VanDerWaalsContact O-CG2 3.29Å; A686-T690 WeakPolarHBondContact O-CG2 3.37Å; A686-T690 PolarHBondContact O-N 3Å; A686-T690 PolarHBondContact O-OG1 3.39Å; V687-T690 WeakPolarHBondContact CA-OG1 3.44Å; V687-T690 PolarHBondContact O-N 3.5Å; V687-T690 PolarHBondContact O-OG1 3.39Å; T690-W692 VanDerWaalsContact C-N 3.34Å; T690-L693 PolarHBondContact O-N 3.34Å; T690-S694 WeakPolarHBondContact O-CB 3.02Å; T690-S694 PolarHBondContact O-N 2.9Å; T690-S694 PolarHBondContact O-OG 2.79Å
691	V	92.2	Very high	92.3	Very high	91 Å²	91	55.1 Å²	55.1	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-62.4	-43.1	173.4	171.2	0	0	0	0	110.7	V687 S694 Y695	V687-V691 HydrophobicContact CG1-CG2 4.3Å; V687-V691 WeakPolarHBondContact O-CB 3.47Å; V687-V691 VanDerWaalsContact O-CG2 3.27Å; V687-V691 WeakPolarHBondContact O-CG2 3.38Å; V687-V691 PolarHBondContact O-N 3.01Å; V691-S694 PolarHBondContact O-N 2.85Å; V691-Y695 PolarHBondContact O-N 3.44Å; V691-Y695 VanDerWaalsContact O-N 3.09Å
692	W	93.4	Very high	91.9	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.019	33%	0.326	C	S	.	.	H	α-helix	trans	-61.2	-50	177	-177.5	13.6	0	0	0	112	Q633 V688 C689 T690 S694 Y695 K696 P698 E715 A720 F721 M724	Q633-W692 HydrophobicContact CB-CH2 3.83Å; Q633-W692 HydrophobicContact CB-CZ3 3.84Å; Q633-W692 HydrophobicContact CG-CH2 3.87Å; Q633-W692 HydrophobicContact CG-CZ3 4.37Å; V688-W692 PolarHBondContact O-N 2.76Å; V688-W692 VanDerWaalsContact O-N 3.07Å; C689-W692 PolarHBondContact O-N 3.22Å; T690-W692 VanDerWaalsContact C-N 3.34Å; W692-S694 VanDerWaalsContact C-N 3.28Å; W692-S694 PolarHBondContact O-N 3.48Å; W692-Y695 PolarHBondContact O-N 3.22Å; W692-K696 PolarHBondContact NE1-O 3.34Å; W692-K696 CarbonylContact O-C 3.41Å; W692-K696 PolarHBondContact O-N 2.98Å; W692-K696 VanDerWaalsContact O-N 3.11Å; W692-P698 HydrophobicContact CH2-CG 4.28Å; W692-P698 HydrophobicContact CZ2-CG 3.71Å; W692-E715 HydrophobicContact CZ2-CB 4.23Å; W692-E715 WeakPolarHBondContact CZ2-OE2 3.14Å; W692-A720 HydrophobicContact CB-CB 3.99Å; W692-A720 HydrophobicContact CD2-CB 4.07Å; W692-A720 HydrophobicContact CG-CB 3.53Å; W692-F721 HydrophobicContact CH2-CB 3.8Å; W692-F721 AromaticContact CH2-CD2 3.75Å; W692-F721 HydrophobicContact CH2-CD2 3.75Å; W692-F721 HydrophobicContact CH2-CG 4.24Å; W692-F721 HydrophobicContact CZ2-CB 3.83Å; W692-F721 HydrophobicContact CZ3-CD2 4.34Å; W692-M724 HydrophobicContact CE3-SD 4.32Å; W692-M724 HydrophobicContact CZ3-CE 4.01Å; W692-M724 HydrophobicContact CZ3-SD 3.78Å
693	L	91.9	Very high	91.3	Very high	65 Å²	65	60.2 Å²	60.2	34%	0.34	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-33.1	178.4	-69.6	178.9	0	0	0	112.9	R630 V634 C689 T690 A697	R630-L693 HydrophobicContact CB-CD2 4.33Å; R630-L693 HydrophobicContact CG-CD2 4.4Å; V634-L693 HydrophobicContact CG2-CD1 4.14Å; V634-L693 HydrophobicContact CG2-CD2 4.27Å; V634-L693 HydrophobicContact CG2-CG 4.29Å; C689-L693 WeakPolarHBondContact O-CG 3.49Å; C689-L693 PolarHBondContact O-N 3.24Å; T690-L693 PolarHBondContact O-N 3.34Å; L693-A697 HydrophobicContact CD2-CB 4.21Å; L693-A697 WeakPolarHBondContact O-CB 3.38Å
694	S	89.7	Confident	90.5	Very high	106 Å²	106	61 Å²	61	74%	0.741	34%	0.34	S	S	*	.	H	α-helix	trans	-76.9	-34	-178.3	-57	0	0	0	0	113.2	T690 V691 W692	T690-S694 WeakPolarHBondContact O-CB 3.02Å; T690-S694 PolarHBondContact O-N 2.9Å; T690-S694 PolarHBondContact O-OG 2.79Å; V691-S694 PolarHBondContact O-N 2.85Å; W692-S694 VanDerWaalsContact C-N 3.28Å; W692-S694 PolarHBondContact O-N 3.48Å
695	Y	87.1	Confident	89.7	Confident	180 Å²	180	64 Å²	64	71%	0.706	35%	0.351	S	S	*	.	H	α-helix	trans	-86.6	-55.7	-177.4	-172.6	-112.6	0	0	0	112.6	V691 W692	V691-Y695 PolarHBondContact O-N 3.44Å; V691-Y695 VanDerWaalsContact O-N 3.09Å; W692-Y695 PolarHBondContact O-N 3.22Å
696	K	87.4	Confident	88.8	Confident	104 Å²	104	71 Å²	71	45%	0.452	39%	0.388	S	S	.	.	H	α-helix	trans	-149.2	79.4	-177.6	-75.4	-168.7	179.1	-173.4	0	109.6	W692 N716	W692-K696 PolarHBondContact NE1-O 3.34Å; W692-K696 CarbonylContact O-C 3.41Å; W692-K696 PolarHBondContact O-N 2.98Å; W692-K696 VanDerWaalsContact O-N 3.11Å; K696-N716 HydrophobicContact CB-CB 4.1Å; K696-N716 WeakPolarHBondContact CD-O 3.49Å
697	A	89.4	Confident	87.9	Confident	16 Å²	16	74 Å²	74	13%	0.132	40%	0.395	C	S	.	.			trans	-60.4	146	176	0	0	0	0	0	111.6	R630 L693 N716	R630-A697 HydrophobicContact CG-CB 4.41Å; L693-A697 HydrophobicContact CD2-CB 4.21Å; L693-A697 WeakPolarHBondContact O-CB 3.38Å; A697-N716 PolarHBondContact O-ND2 2.95Å
698	P	91.5	Very high	87.3	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.006	39%	0.391	C	S	.	.			trans	-58.9	139.9	169.6	-23.8	34.5	0	0	0	111.7	C629 W692 N714 E715	C629-P698 HydrophobicContact CB-CB 4.21Å; C629-P698 WeakPolarHBondContact O-CB 3.39Å; W692-P698 HydrophobicContact CH2-CG 4.28Å; W692-P698 HydrophobicContact CZ2-CG 3.71Å; P698-N714 CarbonylContact C-O 3.52Å; P698-N714 VanDerWaalsContact CA-O 3.22Å; P698-N714 WeakPolarHBondContact CA-O 3.29Å; P698-E715 WeakPolarHBondContact CB-OE2 3.33Å; P698-E715 VanDerWaalsContact CG-OE2 3.25Å; P698-E715 WeakPolarHBondContact CG-OE2 3.36Å
699	Q	91.1	Very high	86.7	Confident	96 Å²	96	74.8 Å²	74.8	45%	0.449	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.5	-178.3	-70	-177.8	-5.4	0	0	111.4	N714	Q699-N714 PolarHBondContact N-O 3.41Å; Q699-N714 PolarHBondContact O-N 3.33Å
700	K	90.3	Very high	86.4	Confident	96 Å²	96	75.3 Å²	75.3	42%	0.417	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	136.9	172.2	79.9	-166.8	177.4	-137.2	0	109.5	P624 D626 W711	P624-K700 HydrophobicContact CB-CB 4.41Å; D626-K700 VanDerWaalsContact OD1-CG 3.28Å; D626-K700 WeakPolarHBondContact OD1-CG 3.34Å; D626-K700 PolarHBondContact OD1-N 3.31Å; D626-K700 WeakPolarHBondContact OD2-CD 3.47Å; D626-K700 WeakPolarHBondContact OD2-CE 3.4Å; D626-K700 IonicContact OD2-NZ 3.37Å; D626-K700 PolarHBondContact OD2-NZ 3.35Å; K700-W711 HydrophobicContact CD-CZ3 4.38Å; K700-W711 HydrophobicContact CG-CZ3 4.26Å
701	A	87.7	Confident	86.2	Confident	24 Å²	24	73.7 Å²	73.7	20%	0.198	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.5	176	0	0	0	0	0	110	F712 N714	A701-F712 HydrophobicContact CB-CD2 4.37Å; A701-F712 HydrophobicContact CB-CE1 4.23Å; A701-F712 HydrophobicContact CB-CE2 3.89Å; A701-F712 HydrophobicContact CB-CZ 3.8Å; A701-F712 PolarHBondContact N-O 2.86Å; A701-F712 PolarHBondContact O-N 3.13Å; A701-F712 VanDerWaalsContact O-O 3.08Å; A701-N714 HydrophobicContact CB-CB 3.83Å
702	S	85.9	Confident	86	Confident	54 Å²	54	72.6 Å²	72.6	38%	0.378	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.2	176.2	62.2	0	0	0	0	111.4	L710	S702-L710 CarbonylContact C-O 3.58Å; S702-L710 WeakPolarHBondContact CA-O 3.37Å
703	E	83.9	Confident	85.9	Confident	105 Å²	105	73.3 Å²	73.3	49%	0.491	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.8	174.8	-171.8	174.5	-176.1	0	0	109.6	L710 F712	E703-L710 PolarHBondContact N-O 2.64Å; E703-L710 PolarHBondContact O-N 3.34Å; E703-F712 HydrophobicContact CB-CE1 4.1Å
704	P	77.4	Confident	85.8	Confident	67 Å²	67	72.5 Å²	72.5	44%	0.435	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.1	176.8	29.6	-32.7	0	0	0	110.5
705	L	77.8	Confident	85.7	Confident	86 Å²	86	67.7 Å²	67.7	45%	0.45	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	83.8	-174.9	-140.7	100.6	0	0	0	109.8	E707 K708	L705-E707 PolarHBondContact O-N 3.37Å; L705-K708 CarbonylContact C-O 3.51Å; L705-K708 WeakPolarHBondContact CA-O 3.24Å; L705-K708 HydrophobicContact CB-CB 4.47Å; L705-K708 PolarHBondContact N-O 3.23Å; L705-K708 WeakPolarHBondContact O-CA 3.42Å; L705-K708 WeakPolarHBondContact O-CB 3.32Å; L705-K708 PolarHBondContact O-N 2.81Å
706	D	76.6	Confident	85.7	Confident	148 Å²	148	61.7 Å²	61.7	79%	0.791	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.1	-126.8	-167	-66.2	-39.7	0	0	0	109.7	R553 K708	R553-D706 PolarHBondContact NH1-O 3.02Å; D706-K708 PolarHBondContact O-N 2.82Å
707	E	77.6	Confident	85.8	Confident	101 Å²	101	57.7 Å²	57.7	47%	0.472	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9	-179.7	-54.2	177.4	-174.9	0	0	115.1	Y542 R553 L554 L705	Y542-E707 HydrophobicContact CD2-CG 4.36Å; Y542-E707 HydrophobicContact CE1-CB 4.45Å; Y542-E707 HydrophobicContact CE2-CB 4.26Å; Y542-E707 HydrophobicContact CE2-CG 3.74Å; R553-E707 WeakPolarHBondContact CA-O 3.35Å; L554-E707 PolarHBondContact N-O 3.33Å; L705-E707 PolarHBondContact O-N 3.37Å
708	K	81.1	Confident	85.8	Confident	102 Å²	102	64.2 Å²	64.2	44%	0.443	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	166.7	-174.4	-59.8	176.8	-176	173.8	0	111.7	L554 L705 D706	L554-K708 HydrophobicContact CB-CG 4.49Å; L554-K708 CarbonylContact O-C 3.35Å; L554-K708 VanDerWaalsContact O-CA 3.25Å; L554-K708 WeakPolarHBondContact O-CA 3.14Å; L705-K708 CarbonylContact C-O 3.51Å; L705-K708 WeakPolarHBondContact CA-O 3.24Å; L705-K708 HydrophobicContact CB-CB 4.47Å; L705-K708 PolarHBondContact N-O 3.23Å; L705-K708 WeakPolarHBondContact O-CA 3.42Å; L705-K708 WeakPolarHBondContact O-CB 3.32Å; L705-K708 PolarHBondContact O-N 2.81Å; D706-K708 PolarHBondContact O-N 2.82Å
709	R	83.1	Confident	85.6	Confident	42 Å²	42	69 Å²	69	16%	0.158	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	114.7	175.3	-179.4	173.4	61.9	-176	1.3	109.4	N539 R553 L554 D555 L556	N539-R709 PolarHBondContact O-NH1 2.96Å; R553-R709 HydrophobicContact CB-CB 4.3Å; L554-R709 PolarHBondContact O-N 3.25Å; D555-R709 IonicContact OD1-CZ 2.75Å; D555-R709 VanDerWaalsContact OD1-CZ 3.31Å; D555-R709 IonicContact OD1-NE 3.7Å; D555-R709 PolarHBondContact OD1-NE 3.43Å; D555-R709 IonicContact OD1-NH2 3.31Å; D555-R709 PolarHBondContact OD1-NH2 2.94Å; D555-R709 IonicContact OD2-NH2 3.42Å; L556-R709 PolarHBondContact N-O 3.3Å
710	L	87.5	Confident	85.6	Confident	16 Å²	16	65.5 Å²	65.5	8%	0.084	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.6	-179.6	178.5	67.5	0	0	0	110.1	L556 S702 E703 F712 E779	L556-L710 HydrophobicContact CB-CD1 4.44Å; L556-L710 HydrophobicContact CD2-CD1 4.18Å; L556-L710 HydrophobicContact CG-CD1 4.32Å; L556-L710 WeakPolarHBondContact O-CA 3.4Å; S702-L710 CarbonylContact C-O 3.58Å; S702-L710 WeakPolarHBondContact CA-O 3.37Å; E703-L710 PolarHBondContact N-O 2.64Å; E703-L710 PolarHBondContact O-N 3.34Å; L710-F712 HydrophobicContact CG-CD1 4.43Å; L710-E779 HydrophobicContact CD1-CB 4.44Å
711	W	87.1	Confident	85.6	Confident	43 Å²	43	61.5 Å²	61.5	16%	0.163	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.7	172.7	-72.4	92.6	0	0	0	111.2	D555 L556 F557 P624 K700	D555-W711 PolarHBondContact OD1-NE1 2.78Å; L556-W711 PolarHBondContact O-N 2.86Å; F557-W711 HydrophobicContact CB-CB 4.3Å; P624-W711 HydrophobicContact CG-CB 4.05Å; K700-W711 HydrophobicContact CD-CZ3 4.38Å; K700-W711 HydrophobicContact CG-CZ3 4.26Å
712	F	89.1	Confident	85.7	Confident	68 Å²	68	62 Å²	62	30%	0.298	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.2	176.6	62.8	-82.7	0	0	0	111.4	A701 E703 L710 N714	A701-F712 HydrophobicContact CB-CD2 4.37Å; A701-F712 HydrophobicContact CB-CE1 4.23Å; A701-F712 HydrophobicContact CB-CE2 3.89Å; A701-F712 HydrophobicContact CB-CZ 3.8Å; A701-F712 PolarHBondContact N-O 2.86Å; A701-F712 PolarHBondContact O-N 3.13Å; A701-F712 VanDerWaalsContact O-O 3.08Å; E703-F712 HydrophobicContact CB-CE1 4.1Å; L710-F712 HydrophobicContact CG-CD1 4.43Å; F712-N714 HydrophobicContact CD2-CB 4.39Å; F712-N714 HydrophobicContact CE2-CB 3.94Å
713	C	90.1	Very high	86	Confident	19 Å²	19	61.7 Å²	61.7	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.3	170.6	-72.4	0	0	0	0	108.7	C629 R632	C629-C713 WeakPolarHBondContact CA-SG 3.47Å; C629-C713 HydrophobicContact CB-CB 3.67Å; C629-C713 WeakPolarHBondContact CB-SG 3.46Å; C629-C713 VanDerWaalsContact SG-CA 3.58Å; C629-C713 WeakPolarHBondContact SG-CB 3.36Å; C629-C713 CovalentContact SG-SG 2.03Å; C629-C713 PolarHBondContact SG-SG 3.08Å; R632-C713 PolarHBondContact NH2-O 2.88Å; R632-C713 VanDerWaalsContact NH2-O 3.1Å
714	N	90.4	Very high	86.5	Confident	49 Å²	49	56.7 Å²	56.7	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126	174.8	-172.3	-13.9	0	0	0	109.3	P698 Q699 A701 F712 N716	P698-N714 CarbonylContact C-O 3.52Å; P698-N714 VanDerWaalsContact CA-O 3.22Å; P698-N714 WeakPolarHBondContact CA-O 3.29Å; Q699-N714 PolarHBondContact N-O 3.41Å; Q699-N714 PolarHBondContact O-N 3.33Å; A701-N714 HydrophobicContact CB-CB 3.83Å; F712-N714 HydrophobicContact CD2-CB 4.39Å; F712-N714 HydrophobicContact CE2-CB 3.94Å; N714-N716 PolarHBondContact ND2-OD1 3.29Å; N714-N716 PolarHBondContact O-N 2.97Å; N714-N716 PolarHBondContact OD1-N 2.89Å
715	E	88.6	Confident	87.2	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.019	29%	0.289	C	S	.	.			trans	-71.5	-15.1	179.6	-60	-61.5	178.9	0	0	113.1	R632 Q633 W692 P698 S717	R632-E715 IonicContact CZ-OE1 3.18Å; R632-E715 IonicContact NE-OE1 3.52Å; R632-E715 VanDerWaalsContact NH2-CD 3.28Å; R632-E715 IonicContact NH2-OE1 3.31Å; R632-E715 PolarHBondContact NH2-OE1 3.36Å; R632-E715 IonicContact NH2-OE2 2.8Å; Q633-E715 PolarHBondContact NE2-OE1 3.47Å; W692-E715 HydrophobicContact CZ2-CB 4.23Å; W692-E715 WeakPolarHBondContact CZ2-OE2 3.14Å; P698-E715 WeakPolarHBondContact CB-OE2 3.33Å; P698-E715 VanDerWaalsContact CG-OE2 3.25Å; P698-E715 WeakPolarHBondContact CG-OE2 3.36Å; E715-S717 PolarHBondContact O-N 3.48Å
716	N	86.4	Confident	88	Confident	54 Å²	54	53.6 Å²	53.6	29%	0.289	29%	0.292	S	S	.	.	S	Bend	trans	58.6	-18.8	-179.6	-70	-31.8	0	0	0	116	K696 A697 N714	K696-N716 HydrophobicContact CB-CB 4.1Å; K696-N716 WeakPolarHBondContact CD-O 3.49Å; A697-N716 PolarHBondContact O-ND2 2.95Å; N714-N716 PolarHBondContact ND2-OD1 3.29Å; N714-N716 PolarHBondContact O-N 2.97Å; N714-N716 PolarHBondContact OD1-N 2.89Å
717	S	89.8	Confident	88.9	Confident	20 Å²	20	49.2 Å²	49.2	14%	0.14	27%	0.265	C	S	.	.			trans	-149.4	89.6	179.6	-173.1	0	0	0	0	111.2	E715 P719 A720 F721	E715-S717 PolarHBondContact O-N 3.48Å; S717-P719 VanDerWaalsContact C-CD 3.41Å; S717-P719 VanDerWaalsContact C-N 3.32Å; S717-A720 PolarHBondContact O-N 2.72Å; S717-A720 WeakPolarHBondContact OG-CB 3.35Å; S717-A720 PolarHBondContact OG-N 3.21Å; S717-F721 PolarHBondContact O-N 2.96Å; S717-F721 VanDerWaalsContact O-N 3.13Å
718	Y	87.9	Confident	89.7	Confident	153 Å²	153	44.4 Å²	44.4	60%	0.6	24%	0.243	S	C	*	.	H	α-helix	trans	-55.4	-37.5	172	-67.4	-75	0	0	0	114	A720 G722	Y718-A720 PolarHBondContact O-N 3.21Å; Y718-G722 PolarHBondContact O-N 3.44Å
719	P	89.1	Confident	90.3	Very high	103 Å²	103	40.2 Å²	40.2	67%	0.669	23%	0.228	S	C	*	.	H	α-helix	trans	-63.6	-37.4	176.3	-24	35.2	0	0	0	113.4	S717 G722 A723	S717-P719 VanDerWaalsContact C-CD 3.41Å; S717-P719 VanDerWaalsContact C-N 3.32Å; P719-G722 PolarHBondContact O-N 3.32Å; P719-A723 WeakPolarHBondContact O-CB 3.37Å; P719-A723 PolarHBondContact O-N 2.87Å
720	A	89.6	Confident	90.9	Very high	22 Å²	22	42.8 Å²	42.8	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-73.2	-41.2	179.9	0	0	0	0	0	111.9	W692 S717 Y718 G722 A723 M724	W692-A720 HydrophobicContact CB-CB 3.99Å; W692-A720 HydrophobicContact CD2-CB 4.07Å; W692-A720 HydrophobicContact CG-CB 3.53Å; S717-A720 PolarHBondContact O-N 2.72Å; S717-A720 WeakPolarHBondContact OG-CB 3.35Å; S717-A720 PolarHBondContact OG-N 3.21Å; Y718-A720 PolarHBondContact O-N 3.21Å; A720-G722 VanDerWaalsContact C-N 3.32Å; A720-G722 PolarHBondContact O-N 3.27Å; A720-A723 PolarHBondContact O-N 2.94Å; A720-M724 PolarHBondContact O-N 3.3Å; A720-M724 VanDerWaalsContact O-N 3.1Å
721	F	90.4	Very high	91.1	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-56.4	-47	169.2	171.7	-118.6	0	0	0	111.4	W692 S717 A723 M724 L725 F769	W692-F721 HydrophobicContact CH2-CB 3.8Å; W692-F721 AromaticContact CH2-CD2 3.75Å; W692-F721 HydrophobicContact CH2-CD2 3.75Å; W692-F721 HydrophobicContact CH2-CG 4.24Å; W692-F721 HydrophobicContact CZ2-CB 3.83Å; W692-F721 HydrophobicContact CZ3-CD2 4.34Å; S717-F721 PolarHBondContact O-N 2.96Å; S717-F721 VanDerWaalsContact O-N 3.13Å; F721-A723 PolarHBondContact O-N 3.45Å; F721-M724 HydrophobicContact CD2-CE 4.05Å; F721-M724 HydrophobicContact CE2-CE 4.18Å; F721-M724 PolarHBondContact O-N 3.5Å; F721-L725 HydrophobicContact CE1-CD1 3.93Å; F721-L725 HydrophobicContact CE2-CD1 3.88Å; F721-L725 HydrophobicContact CE2-CG 4.28Å; F721-L725 HydrophobicContact CZ-CD1 3.57Å; F721-L725 HydrophobicContact CZ-CG 4.46Å; F721-L725 PolarHBondContact O-N 3.37Å; F721-F769 HydrophobicContact CE1-CE1 4.4Å; F721-F769 HydrophobicContact CZ-CE1 4.22Å; F721-F769 HydrophobicContact CZ-CZ 4.17Å
722	G	91	Very high	91.4	Very high	33 Å²	33	40.3 Å²	40.3	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-39.2	175.6	0	0	0	0	0	113.3	Y718 P719 A720 L725 A726	Y718-G722 PolarHBondContact O-N 3.44Å; P719-G722 PolarHBondContact O-N 3.32Å; A720-G722 VanDerWaalsContact C-N 3.32Å; A720-G722 PolarHBondContact O-N 3.27Å; G722-L725 PolarHBondContact O-N 3.33Å; G722-A726 VanDerWaalsContact O-CB 3.23Å; G722-A726 WeakPolarHBondContact O-CB 3.49Å; G722-A726 PolarHBondContact O-N 3.46Å
723	A	92.4	Very high	91.6	Very high	48 Å²	48	41.4 Å²	41.4	40%	0.397	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-40.9	178.1	0	0	0	0	0	112.6	V688 P719 A720 F721 A726 Y727	V688-A723 HydrophobicContact CG1-CB 4.44Å; P719-A723 WeakPolarHBondContact O-CB 3.37Å; P719-A723 PolarHBondContact O-N 2.87Å; A720-A723 PolarHBondContact O-N 2.94Å; F721-A723 PolarHBondContact O-N 3.45Å; A723-A726 PolarHBondContact O-N 2.85Å; A723-Y727 PolarHBondContact O-N 3.25Å
724	M	93.7	Very high	91.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-46.1	174.8	-177.8	-166.5	64.8	0	0	111.6	Q633 Q685 V688 W692 A720 F721 I728	Q633-M724 HydrophobicContact CB-CE 4.21Å; Q633-M724 HydrophobicContact CB-SD 4.47Å; Q685-M724 PolarHBondContact NE2-O 3.13Å; Q685-M724 VanDerWaalsContact NE2-O 3.14Å; V688-M724 HydrophobicContact CG1-CB 4.21Å; W692-M724 HydrophobicContact CE3-SD 4.32Å; W692-M724 HydrophobicContact CZ3-CE 4.01Å; W692-M724 HydrophobicContact CZ3-SD 3.78Å; A720-M724 PolarHBondContact O-N 3.3Å; A720-M724 VanDerWaalsContact O-N 3.1Å; F721-M724 HydrophobicContact CD2-CE 4.05Å; F721-M724 HydrophobicContact CE2-CE 4.18Å; F721-M724 PolarHBondContact O-N 3.5Å; M724-I728 WeakPolarHBondContact O-CG1 3.28Å; M724-I728 PolarHBondContact O-N 2.86Å
725	L	92.8	Very high	91.6	Very high	25 Å²	25	42.1 Å²	42.1	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-38.7	177.7	-66	179	0	0	0	112.2	F636 F721 G722 Y727 I728 G729 W766 F769	F636-L725 HydrophobicContact CE1-CD2 4.11Å; F721-L725 HydrophobicContact CE1-CD1 3.93Å; F721-L725 HydrophobicContact CE2-CD1 3.88Å; F721-L725 HydrophobicContact CE2-CG 4.28Å; F721-L725 HydrophobicContact CZ-CD1 3.57Å; F721-L725 HydrophobicContact CZ-CG 4.46Å; F721-L725 PolarHBondContact O-N 3.37Å; G722-L725 PolarHBondContact O-N 3.33Å; L725-Y727 VanDerWaalsContact C-N 3.33Å; L725-Y727 PolarHBondContact O-N 2.79Å; L725-I728 PolarHBondContact O-N 2.99Å; L725-G729 PolarHBondContact O-N 2.81Å; L725-W766 HydrophobicContact CD1-CE3 4.29Å; L725-W766 HydrophobicContact CD1-CZ3 3.67Å; L725-W766 HydrophobicContact CD2-CE3 4.28Å; L725-W766 HydrophobicContact CD2-CH2 3.62Å; L725-W766 HydrophobicContact CD2-CZ3 3.48Å; L725-W766 VanDerWaalsContact CD2-CZ3 3.48Å; L725-W766 HydrophobicContact CG-CZ3 4.19Å; L725-F769 HydrophobicContact CD1-CE1 4.25Å
726	A	94.1	Very high	91.7	Very high	63 Å²	63	44.3 Å²	44.3	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-38.2	178.4	0	0	0	0	0	112	G722 A723 G729 L730	G722-A726 VanDerWaalsContact O-CB 3.23Å; G722-A726 WeakPolarHBondContact O-CB 3.49Å; G722-A726 PolarHBondContact O-N 3.46Å; A723-A726 PolarHBondContact O-N 2.85Å; A726-G729 PolarHBondContact O-N 3.35Å; A726-L730 WeakPolarHBondContact O-CB 3.45Å; A726-L730 PolarHBondContact O-N 2.99Å
727	Y	95.6	Very high	91.8	Very high	56 Å²	56	45 Å²	45	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-46.3	175.4	-175.4	-97.3	0	0	0	112	T641 C681 Q685 A723 L725 G729 L730 L731	T641-Y727 HydrophobicContact CG2-CE1 4.25Å; C681-Y727 WeakPolarHBondContact CA-OH 3.49Å; C681-Y727 WeakPolarHBondContact O-CE1 3.47Å; C681-Y727 PolarHBondContact O-OH 2.57Å; Q685-Y727 HydrophobicContact CB-CD1 4Å; Q685-Y727 HydrophobicContact CB-CE1 3.88Å; Q685-Y727 HydrophobicContact CG-CD1 4.49Å; A723-Y727 PolarHBondContact O-N 3.25Å; L725-Y727 VanDerWaalsContact C-N 3.33Å; L725-Y727 PolarHBondContact O-N 2.79Å; Y727-G729 VanDerWaalsContact C-N 3.32Å; Y727-G729 PolarHBondContact O-N 3.26Å; Y727-L730 PolarHBondContact O-N 3.3Å; Y727-L731 HydrophobicContact CD1-CD1 4Å; Y727-L731 HydrophobicContact CD1-CG 4.45Å; Y727-L731 HydrophobicContact CE1-CD1 3.48Å; Y727-L731 VanDerWaalsContact CE1-CD1 3.48Å; Y727-L731 HydrophobicContact CE1-CG 4.11Å; Y727-L731 PolarHBondContact O-N 3.17Å
728	I	94.3	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-46.7	174.1	-65.1	171.1	0	0	0	110.4	F640 T641 V644 M724 L725 L730 L731 A732 Y762	F640-I728 HydrophobicContact CD1-CG2 3.49Å; F640-I728 VanDerWaalsContact CD1-CG2 3.49Å; F640-I728 HydrophobicContact CE1-CG2 3.85Å; T641-I728 WeakPolarHBondContact OG1-CG1 3.34Å; V644-I728 HydrophobicContact CG2-CG2 4.34Å; M724-I728 WeakPolarHBondContact O-CG1 3.28Å; M724-I728 PolarHBondContact O-N 2.86Å; L725-I728 PolarHBondContact O-N 2.99Å; I728-L730 VanDerWaalsContact C-N 3.33Å; I728-L730 PolarHBondContact O-N 3.35Å; I728-L731 PolarHBondContact O-N 3.04Å; I728-A732 WeakPolarHBondContact O-CB 3.42Å; I728-A732 PolarHBondContact O-N 3.13Å; I728-Y762 VanDerWaalsContact CG2-OH 3.28Å; I728-Y762 WeakPolarHBondContact CG2-OH 3.4Å
729	G	93.6	Very high	91.6	Very high	14 Å²	14	38.9 Å²	38.9	14%	0.144	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-41.9	177.7	0	0	0	0	0	112.5	L725 A726 Y727 A732 I733	L725-G729 PolarHBondContact O-N 2.81Å; A726-G729 PolarHBondContact O-N 3.35Å; Y727-G729 VanDerWaalsContact C-N 3.32Å; Y727-G729 PolarHBondContact O-N 3.26Å; G729-A732 WeakPolarHBondContact O-CB 3.42Å; G729-A732 PolarHBondContact O-N 3.49Å; G729-I733 VanDerWaalsContact O-CG1 3.27Å; G729-I733 WeakPolarHBondContact O-CG1 3.34Å; G729-I733 PolarHBondContact O-N 3.05Å
730	L	94.6	Very high	91.4	Very high	96 Å²	96	37.9 Å²	37.9	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-46.5	176.5	-176.7	150.3	0	0	0	111.4	A726 Y727 I728 A732 I733 L734	A726-L730 WeakPolarHBondContact O-CB 3.45Å; A726-L730 PolarHBondContact O-N 2.99Å; Y727-L730 PolarHBondContact O-N 3.3Å; I728-L730 VanDerWaalsContact C-N 3.33Å; I728-L730 PolarHBondContact O-N 3.35Å; L730-A732 VanDerWaalsContact C-N 3.28Å; L730-A732 PolarHBondContact O-N 3.15Å; L730-I733 PolarHBondContact O-N 2.88Å; L730-L734 HydrophobicContact CD2-CD1 3.71Å; L730-L734 HydrophobicContact CD2-CG 4.35Å; L730-L734 WeakPolarHBondContact O-CG 3.39Å; L730-L734 PolarHBondContact O-N 3.38Å
731	L	93.6	Very high	91	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-38.5	175.2	-66.5	-179.7	0	0	0	111.7	T641 V644 L648 C681 Y727 I728 L734 G735	T641-L731 HydrophobicContact CG2-CD1 3.88Å; V644-L731 VanDerWaalsContact CG1-C 3.49Å; V644-L731 HydrophobicContact CG1-CB 3.65Å; L648-L731 HydrophobicContact CD2-CD2 4.42Å; C681-L731 HydrophobicContact CB-CD1 4.04Å; C681-L731 HydrophobicContact CB-CD2 4.48Å; Y727-L731 HydrophobicContact CD1-CD1 4Å; Y727-L731 HydrophobicContact CD1-CG 4.45Å; Y727-L731 HydrophobicContact CE1-CD1 3.48Å; Y727-L731 VanDerWaalsContact CE1-CD1 3.48Å; Y727-L731 HydrophobicContact CE1-CG 4.11Å; Y727-L731 PolarHBondContact O-N 3.17Å; I728-L731 PolarHBondContact O-N 3.04Å; L731-L734 PolarHBondContact O-N 3.3Å; L731-G735 PolarHBondContact O-N 3.32Å
732	A	92.8	Very high	90.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-38.6	177.1	0	0	0	0	0	111.6	V644 I728 G729 L730 G735 F736 M759 Y762 F763	V644-A732 HydrophobicContact CG1-CB 3.99Å; V644-A732 VanDerWaalsContact CG1-N 3.35Å; I728-A732 WeakPolarHBondContact O-CB 3.42Å; I728-A732 PolarHBondContact O-N 3.13Å; G729-A732 WeakPolarHBondContact O-CB 3.42Å; G729-A732 PolarHBondContact O-N 3.49Å; L730-A732 VanDerWaalsContact C-N 3.28Å; L730-A732 PolarHBondContact O-N 3.15Å; A732-G735 PolarHBondContact O-N 2.94Å; A732-F736 VanDerWaalsContact O-CB 3.25Å; A732-F736 WeakPolarHBondContact O-CB 3.3Å; A732-F736 PolarHBondContact O-N 3.28Å; A732-M759 HydrophobicContact CB-SD 4.33Å; A732-Y762 HydrophobicContact CB-CD1 4.13Å; A732-Y762 HydrophobicContact CB-CE1 3.79Å; A732-F763 HydrophobicContact CB-CE1 4.03Å; A732-F763 HydrophobicContact CB-CZ 3.91Å
733	I	93.5	Very high	89.4	Confident	90 Å²	90	46.9 Å²	46.9	46%	0.462	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-46.9	175.9	-70.5	164.9	0	0	0	110	G729 L730 G735 F736 V737 F763	G729-I733 VanDerWaalsContact O-CG1 3.27Å; G729-I733 WeakPolarHBondContact O-CG1 3.34Å; G729-I733 PolarHBondContact O-N 3.05Å; L730-I733 PolarHBondContact O-N 2.88Å; I733-G735 VanDerWaalsContact C-N 3.32Å; I733-G735 PolarHBondContact O-N 2.68Å; I733-F736 PolarHBondContact O-N 3.32Å; I733-V737 HydrophobicContact CG2-CG2 4.29Å; I733-V737 WeakPolarHBondContact O-CG2 3.37Å; I733-V737 PolarHBondContact O-N 3.01Å; I733-F763 HydrophobicContact CB-CZ 4.33Å; I733-F763 HydrophobicContact CG1-CE1 3.69Å; I733-F763 HydrophobicContact CG1-CZ 3.58Å
734	L	91.9	Very high	88.3	Confident	84 Å²	84	52.8 Å²	52.8	44%	0.44	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-45.8	175.6	-67.8	174.9	0	0	0	111	L648 L730 L731 F736 V737 L738	L648-L734 HydrophobicContact CD1-CB 3.8Å; L730-L734 HydrophobicContact CD2-CD1 3.71Å; L730-L734 HydrophobicContact CD2-CG 4.35Å; L730-L734 WeakPolarHBondContact O-CG 3.39Å; L730-L734 PolarHBondContact O-N 3.38Å; L731-L734 PolarHBondContact O-N 3.3Å; L734-F736 VanDerWaalsContact C-N 3.35Å; L734-F736 PolarHBondContact O-N 3Å; L734-V737 PolarHBondContact O-N 3.3Å; L734-L738 VanDerWaalsContact O-CG 3.31Å; L734-L738 WeakPolarHBondContact O-CG 3.41Å; L734-L738 PolarHBondContact O-N 3.01Å; L734-L738 VanDerWaalsContact O-N 3.12Å
735	G	88.8	Confident	87	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-39.9	176.4	0	0	0	0	0	113.3	S651 L731 A732 I733 A739	S651-G735 PolarHBondContact OG-O 3.35Å; L731-G735 PolarHBondContact O-N 3.32Å; A732-G735 PolarHBondContact O-N 2.94Å; I733-G735 VanDerWaalsContact C-N 3.32Å; I733-G735 PolarHBondContact O-N 2.68Å; G735-A739 VanDerWaalsContact O-CB 3.3Å; G735-A739 WeakPolarHBondContact O-CB 3.45Å; G735-A739 PolarHBondContact O-N 3.35Å
736	F	89.6	Confident	85.3	Confident	49 Å²	49	53.9 Å²	53.9	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-47.4	177.3	174.3	-97.9	0	0	0	112.2	A732 I733 L734 L738 A739 F740 T756 M759 F763	A732-F736 VanDerWaalsContact O-CB 3.25Å; A732-F736 WeakPolarHBondContact O-CB 3.3Å; A732-F736 PolarHBondContact O-N 3.28Å; I733-F736 PolarHBondContact O-N 3.32Å; L734-F736 VanDerWaalsContact C-N 3.35Å; L734-F736 PolarHBondContact O-N 3Å; F736-L738 VanDerWaalsContact C-N 3.33Å; F736-L738 PolarHBondContact O-N 2.99Å; F736-A739 PolarHBondContact O-N 3.33Å; F736-F740 HydrophobicContact CZ-CD2 4.18Å; F736-F740 VanDerWaalsContact O-CB 3.26Å; F736-F740 WeakPolarHBondContact O-CB 3.35Å; F736-F740 PolarHBondContact O-N 3.5Å; F736-T756 HydrophobicContact CE2-CG2 4.42Å; F736-M759 HydrophobicContact CB-CB 4.13Å; F736-M759 HydrophobicContact CD2-CB 3.91Å; F736-M759 HydrophobicContact CG-CB 4.49Å; F736-F763 HydrophobicContact CB-CE2 3.87Å; F736-F763 HydrophobicContact CB-CZ 4.37Å; F736-F763 HydrophobicContact CD1-CE2 4.45Å; F736-F763 HydrophobicContact CD2-CE2 4.29Å; F736-F763 AromaticContact CG-CE2 3.96Å; F736-F763 HydrophobicContact CG-CE2 3.96Å
737	V	89.3	Confident	83.5	Confident	70 Å²	70	58.8 Å²	58.8	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-60.5	-44.8	179.4	170.1	0	0	0	0	110.6	I733 L734 F740 K741	I733-V737 HydrophobicContact CG2-CG2 4.29Å; I733-V737 WeakPolarHBondContact O-CG2 3.37Å; I733-V737 PolarHBondContact O-N 3.01Å; L734-V737 PolarHBondContact O-N 3.3Å; V737-F740 PolarHBondContact O-N 2.79Å; V737-K741 PolarHBondContact O-N 3.06Å; V737-K741 VanDerWaalsContact O-N 3.13Å
738	L	86.6	Confident	81.3	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-45.2	175.5	-66.8	179.3	0	0	0	111.5	L648 F652 I655 L734 F736 F740 K741 G742	L648-L738 HydrophobicContact CD1-CD1 3.79Å; F652-L738 HydrophobicContact CB-CD1 4.03Å; F652-L738 HydrophobicContact CD2-CD1 4.28Å; I655-L738 WeakPolarHBondContact CD1-O 3.39Å; I655-L738 HydrophobicContact CG1-CB 4.42Å; I655-L738 WeakPolarHBondContact CG1-O 3.12Å; L734-L738 VanDerWaalsContact O-CG 3.31Å; L734-L738 WeakPolarHBondContact O-CG 3.41Å; L734-L738 PolarHBondContact O-N 3.01Å; L734-L738 VanDerWaalsContact O-N 3.12Å; F736-L738 VanDerWaalsContact C-N 3.33Å; F736-L738 PolarHBondContact O-N 2.99Å; L738-F740 VanDerWaalsContact C-N 3.31Å; L738-F740 PolarHBondContact O-N 3.44Å; L738-K741 PolarHBondContact O-N 3.13Å; L738-G742 PolarHBondContact O-N 3.47Å
739	A	85.6	Confident	79.5	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-36.2	177.2	0	0	0	0	0	112.7	G735 F736 G742 I755 T756	G735-A739 VanDerWaalsContact O-CB 3.3Å; G735-A739 WeakPolarHBondContact O-CB 3.45Å; G735-A739 PolarHBondContact O-N 3.35Å; F736-A739 PolarHBondContact O-N 3.33Å; A739-G742 PolarHBondContact O-N 3.23Å; A739-I755 HydrophobicContact CB-CB 4Å; A739-I755 HydrophobicContact CB-CG2 3.52Å; A739-T756 VanDerWaalsContact C-CG2 3.49Å; A739-T756 HydrophobicContact CB-CG2 3.67Å
740	F	85.4	Confident	78.1	Confident	82 Å²	82	62.5 Å²	62.5	36%	0.36	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-36.1	-178.7	-173.4	-94.3	0	0	0	112.6	F736 V737 L738 G742 R743 T756	F736-F740 HydrophobicContact CZ-CD2 4.18Å; F736-F740 VanDerWaalsContact O-CB 3.26Å; F736-F740 WeakPolarHBondContact O-CB 3.35Å; F736-F740 PolarHBondContact O-N 3.5Å; V737-F740 PolarHBondContact O-N 2.79Å; L738-F740 VanDerWaalsContact C-N 3.31Å; L738-F740 PolarHBondContact O-N 3.44Å; F740-G742 VanDerWaalsContact C-N 3.31Å; F740-R743 VanDerWaalsContact CE1-CZ 3.5Å; F740-R743 WeakPolarHBondContact O-CB 3.49Å; F740-R743 WeakPolarHBondContact O-CD 3.48Å; F740-R743 WeakPolarHBondContact O-CG 3.47Å; F740-R743 PolarHBondContact O-N 3.21Å; F740-R743 PolarHBondContact O-NE 2.84Å; F740-T756 HydrophobicContact CB-CG2 4.03Å; F740-T756 HydrophobicContact CD2-CG2 4.43Å
741	K	81.6	Confident	77.2	Confident	125 Å²	125	59.2 Å²	59.2	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-39.4	172.2	-76	-170.6	169.3	-164.5	0	111.9	I655 E659 V737 L738 R743	I655-K741 HydrophobicContact CD1-CB 3.82Å; E659-K741 WeakPolarHBondContact OE2-CB 3.48Å; V737-K741 PolarHBondContact O-N 3.06Å; V737-K741 VanDerWaalsContact O-N 3.13Å; L738-K741 PolarHBondContact O-N 3.13Å; K741-R743 PolarHBondContact O-N 2.64Å; K741-R743 VanDerWaalsContact O-N 3.09Å
742	G	74.5	Confident	76.5	Confident	2 Å²	2	58.9 Å²	58.9	2%	0.021	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-74.6	6.6	178.9	0	0	0	0	0	115.9	I655 L738 A739 F740 K744 L745 A752	I655-G742 VanDerWaalsContact CD1-CA 3.48Å; L738-G742 PolarHBondContact O-N 3.47Å; A739-G742 PolarHBondContact O-N 3.23Å; F740-G742 VanDerWaalsContact C-N 3.31Å; G742-K744 VanDerWaalsContact C-N 3.33Å; G742-K744 PolarHBondContact O-N 3.21Å; G742-L745 WeakPolarHBondContact O-CB 3.32Å; G742-L745 WeakPolarHBondContact O-CD1 3.18Å; G742-L745 VanDerWaalsContact O-CG 3.25Å; G742-L745 WeakPolarHBondContact O-CG 3Å; G742-A752 WeakPolarHBondContact O-CB 3.5Å
743	R	73.9	Confident	76	Confident	129 Å²	129	63.4 Å²	63.4	49%	0.487	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.5	-173.3	74	-171.1	169.6	147.2	0	115.3	F740 K741 L745	F740-R743 VanDerWaalsContact CE1-CZ 3.5Å; F740-R743 WeakPolarHBondContact O-CB 3.49Å; F740-R743 WeakPolarHBondContact O-CD 3.48Å; F740-R743 WeakPolarHBondContact O-CG 3.47Å; F740-R743 PolarHBondContact O-N 3.21Å; F740-R743 PolarHBondContact O-NE 2.84Å; K741-R743 PolarHBondContact O-N 2.64Å; K741-R743 VanDerWaalsContact O-N 3.09Å; R743-L745 VanDerWaalsContact C-N 3.3Å
744	K	69.1	Low	75.7	Confident	173 Å²	173	61.2 Å²	61.2	75%	0.752	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-87.8	5.4	-178.6	-65.4	-173.4	177.6	-175.2	0	113.4	G742	G742-K744 VanDerWaalsContact C-N 3.33Å; G742-K744 PolarHBondContact O-N 3.21Å
745	L	65.2	Low	75.5	Confident	31 Å²	31	57.2 Å²	57.2	16%	0.162	27%	0.268	C	S	.	.	S	Bend	trans	-78.4	159.8	-177.8	-64.5	177.6	0	0	0	112.4	I654 F658 G742 R743 F827	I654-L745 HydrophobicContact CG2-CD1 3.29Å; F658-L745 HydrophobicContact CB-CD1 4.08Å; F658-L745 HydrophobicContact CB-CD2 3.38Å; F658-L745 HydrophobicContact CB-CG 4.4Å; F658-L745 HydrophobicContact CD1-CD2 4.24Å; F658-L745 HydrophobicContact CD2-CD1 3.75Å; F658-L745 HydrophobicContact CD2-CD2 4.13Å; F658-L745 HydrophobicContact CG-CD1 4.14Å; F658-L745 HydrophobicContact CG-CD2 3.69Å; G742-L745 WeakPolarHBondContact O-CB 3.32Å; G742-L745 WeakPolarHBondContact O-CD1 3.18Å; G742-L745 VanDerWaalsContact O-CG 3.25Å; G742-L745 WeakPolarHBondContact O-CG 3Å; R743-L745 VanDerWaalsContact C-N 3.3Å; L745-F827 HydrophobicContact CD2-CE1 4.39Å; L745-F827 HydrophobicContact CD2-CZ 4.34Å
746	P	58.4	Low	75.5	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.104	27%	0.272	C	S	.	.			trans	-63.6	162.5	-168.2	19.6	-28.2	0	0	0	114.7	C748 Y749 F827	P746-C748 VanDerWaalsContact C-N 3.26Å; P746-C748 PolarHBondContact O-N 3.41Å; P746-Y749 CarbonylContact O-C 3.58Å; P746-Y749 WeakPolarHBondContact O-CA 3.04Å; P746-Y749 PolarHBondContact O-N 2.65Å; P746-F827 HydrophobicContact CB-CB 3.69Å; P746-F827 HydrophobicContact CB-CD1 4.43Å; P746-F827 HydrophobicContact CB-CD2 3.51Å; P746-F827 HydrophobicContact CB-CE2 4.24Å; P746-F827 HydrophobicContact CB-CG 3.61Å; P746-F827 HydrophobicContact CG-CB 3.7Å; P746-F827 HydrophobicContact CG-CD1 3.77Å; P746-F827 HydrophobicContact CG-CD2 3.73Å; P746-F827 HydrophobicContact CG-CE1 4.33Å; P746-F827 HydrophobicContact CG-CE2 4.28Å; P746-F827 HydrophobicContact CG-CG 3.44Å; P746-F827 VanDerWaalsContact CG-CG 3.44Å
747	Q	54.7	Low	75.5	Confident	166 Å²	166	59.9 Å²	59.9	78%	0.776	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58	-23	-171.5	-81.8	-175.3	-7	0	0	116	N750	Q747-N750 WeakPolarHBondContact O-CB 3.31Å
748	C	51.3	Low	75.6	Confident	51 Å²	51	56.6 Å²	56.6	35%	0.345	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-88.5	-5.6	171.7	-105.4	0	0	0	0	114.9	P746 E823	P746-C748 VanDerWaalsContact C-N 3.26Å; P746-C748 PolarHBondContact O-N 3.41Å; C748-E823 WeakPolarHBondContact CB-OE2 3.24Å; C748-E823 PolarHBondContact SG-OE2 3.17Å
749	Y	55.9	Low	75.9	Confident	45 Å²	45	54.6 Å²	54.6	18%	0.176	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-107.2	25	168.5	-99.8	-85.1	0	0	0	112.7	F658 P746 D751 F820	F658-Y749 AromaticContact CE2-CD1 3.87Å; F658-Y749 HydrophobicContact CE2-CD1 3.87Å; F658-Y749 HydrophobicContact CE2-CD2 4.08Å; F658-Y749 AromaticContact CE2-CE1 3.72Å; F658-Y749 HydrophobicContact CE2-CE1 3.72Å; F658-Y749 AromaticContact CE2-CE2 3.93Å; F658-Y749 HydrophobicContact CE2-CE2 3.93Å; F658-Y749 HydrophobicContact CE2-CG 4.04Å; F658-Y749 AromaticContact CE2-CZ 3.75Å; F658-Y749 AromaticContact CZ-CD2 3.89Å; F658-Y749 HydrophobicContact CZ-CD2 3.89Å; F658-Y749 HydrophobicContact CZ-CE1 4.34Å; F658-Y749 AromaticContact CZ-CE2 3.68Å; F658-Y749 HydrophobicContact CZ-CE2 3.68Å; F658-Y749 HydrophobicContact CZ-CG 4.29Å; F658-Y749 AromaticContact CZ-CZ 3.93Å; P746-Y749 CarbonylContact O-C 3.58Å; P746-Y749 WeakPolarHBondContact O-CA 3.04Å; P746-Y749 PolarHBondContact O-N 2.65Å; Y749-D751 PolarHBondContact O-N 3.42Å; Y749-F820 HydrophobicContact CD2-CZ 4.16Å; Y749-F820 HydrophobicContact CE2-CE1 4.06Å; Y749-F820 HydrophobicContact CE2-CE2 4.31Å; Y749-F820 AromaticContact CE2-CZ 3.43Å; Y749-F820 HydrophobicContact CE2-CZ 3.43Å; Y749-F820 VanDerWaalsContact CE2-CZ 3.43Å
750	N	64.5	Low	76.2	Confident	52 Å²	52	58.3 Å²	58.3	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	1.4	178.4	-143.6	1	0	0	0	114.1	Q747 A752 K753 F754	Q747-N750 WeakPolarHBondContact O-CB 3.31Å; N750-A752 PolarHBondContact O-N 3.44Å; N750-K753 WeakPolarHBondContact O-CB 3.05Å; N750-K753 PolarHBondContact O-N 2.86Å; N750-K753 VanDerWaalsContact O-N 3.15Å; N750-K753 VanDerWaalsContact OD1-CB 3.26Å; N750-K753 WeakPolarHBondContact OD1-CB 3.16Å; N750-K753 VanDerWaalsContact OD1-CD 3.23Å; N750-K753 WeakPolarHBondContact OD1-CD 3.06Å; N750-F754 HydrophobicContact CB-CD2 4.44Å; N750-F754 HydrophobicContact CB-CE2 3.9Å; N750-F754 WeakPolarHBondContact O-CD2 3.34Å; N750-F754 PolarHBondContact O-N 3.43Å
751	D	74	Confident	76.6	Confident	28 Å²	28	57.9 Å²	57.9	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-50.9	-41	172.4	-98.5	22.5	0	0	0	112.8	K650 I654 Y749 K753 F754 I755 K804	K650-D751 WeakPolarHBondContact CE-OD2 3.38Å; K650-D751 IonicContact NZ-OD2 3.39Å; K650-D751 PolarHBondContact NZ-OD2 3.24Å; I654-D751 HydrophobicContact CD1-CB 4.11Å; Y749-D751 PolarHBondContact O-N 3.42Å; D751-K753 VanDerWaalsContact C-N 3.34Å; D751-K753 PolarHBondContact O-N 2.9Å; D751-F754 PolarHBondContact O-N 2.93Å; D751-I755 WeakPolarHBondContact O-CD1 3.44Å; D751-I755 WeakPolarHBondContact O-CG1 3.26Å; D751-I755 PolarHBondContact O-N 2.94Å; D751-K804 WeakPolarHBondContact OD1-CE 3.32Å; D751-K804 IonicContact OD1-NZ 2.97Å; D751-K804 PolarHBondContact OD1-NZ 3.5Å; D751-K804 IonicContact OD2-NZ 2.68Å; D751-K804 PolarHBondContact OD2-NZ 2.83Å
752	A	79.8	Confident	77.1	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-41.4	179.2	0	0	0	0	0	111.8	I654 G742 N750 I755 T756	I654-A752 HydrophobicContact CD1-CB 4.33Å; I654-A752 HydrophobicContact CG2-CB 4.36Å; G742-A752 WeakPolarHBondContact O-CB 3.5Å; N750-A752 PolarHBondContact O-N 3.44Å; A752-I755 PolarHBondContact O-N 2.79Å; A752-T756 WeakPolarHBondContact O-CG2 3.39Å; A752-T756 PolarHBondContact O-N 3.4Å; A752-T756 PolarHBondContact O-OG1 2.91Å
753	K	83.1	Confident	78.1	Confident	95 Å²	95	54.1 Å²	54.1	41%	0.413	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-44.7	177.9	-172.2	179.1	-175	177	0	111.6	N750 D751 T756 F757	N750-K753 WeakPolarHBondContact O-CB 3.05Å; N750-K753 PolarHBondContact O-N 2.86Å; N750-K753 VanDerWaalsContact O-N 3.15Å; N750-K753 VanDerWaalsContact OD1-CB 3.26Å; N750-K753 WeakPolarHBondContact OD1-CB 3.16Å; N750-K753 VanDerWaalsContact OD1-CD 3.23Å; N750-K753 WeakPolarHBondContact OD1-CD 3.06Å; D751-K753 VanDerWaalsContact C-N 3.34Å; D751-K753 PolarHBondContact O-N 2.9Å; K753-T756 WeakPolarHBondContact CA-OG1 3.21Å; K753-T756 PolarHBondContact O-N 3.19Å; K753-T756 PolarHBondContact O-OG1 3.49Å; K753-F757 HydrophobicContact CD-CE2 4.08Å; K753-F757 HydrophobicContact CG-CD2 4.08Å; K753-F757 HydrophobicContact CG-CE2 3.55Å; K753-F757 HydrophobicContact CG-CZ 4.27Å; K753-F757 VanDerWaalsContact O-CD2 3.23Å; K753-F757 WeakPolarHBondContact O-CD2 3.34Å; K753-F757 PolarHBondContact O-N 2.89Å
754	F	86.6	Confident	79	Confident	43 Å²	43	52.2 Å²	52.2	19%	0.189	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-35.7	177	-65.7	-59.4	0	0	0	113.3	N750 D751 F757 S758 C799 I803	N750-F754 HydrophobicContact CB-CD2 4.44Å; N750-F754 HydrophobicContact CB-CE2 3.9Å; N750-F754 WeakPolarHBondContact O-CD2 3.34Å; N750-F754 PolarHBondContact O-N 3.43Å; D751-F754 PolarHBondContact O-N 2.93Å; F754-F757 PolarHBondContact O-N 2.84Å; F754-S758 PolarHBondContact O-N 3.43Å; F754-S758 PolarHBondContact O-OG 3.07Å; F754-C799 HydrophobicContact CB-CB 4.45Å; F754-C799 VanDerWaalsContact CB-O 3.22Å; F754-C799 WeakPolarHBondContact CB-O 3.42Å; F754-C799 WeakPolarHBondContact CG-O 3.39Å; F754-I803 HydrophobicContact CD1-CD1 4Å; F754-I803 HydrophobicContact CD2-CD1 4.2Å; F754-I803 HydrophobicContact CE1-CD1 3.25Å; F754-I803 HydrophobicContact CE2-CD1 3.48Å; F754-I803 VanDerWaalsContact CE2-CD1 3.48Å; F754-I803 HydrophobicContact CG-CD1 4.46Å; F754-I803 HydrophobicContact CZ-CD1 2.97Å; F754-I803 HydrophobicContact CZ-CG1 4.44Å
755	I	88	Confident	80.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-46.8	171.1	-68.2	164	0	0	0	109.8	I647 K650 I654 A739 D751 A752 F757 S758 M759 Q800	I647-I755 HydrophobicContact CG2-CG2 3.49Å; I647-I755 VanDerWaalsContact CG2-CG2 3.49Å; K650-I755 HydrophobicContact CD-CD1 4.07Å; K650-I755 HydrophobicContact CG-CD1 4.21Å; I654-I755 HydrophobicContact CD1-CD1 4.3Å; A739-I755 HydrophobicContact CB-CB 4Å; A739-I755 HydrophobicContact CB-CG2 3.52Å; D751-I755 WeakPolarHBondContact O-CD1 3.44Å; D751-I755 WeakPolarHBondContact O-CG1 3.26Å; D751-I755 PolarHBondContact O-N 2.94Å; A752-I755 PolarHBondContact O-N 2.79Å; I755-F757 VanDerWaalsContact C-N 3.35Å; I755-F757 PolarHBondContact O-N 2.69Å; I755-S758 PolarHBondContact O-N 2.02Å; I755-S758 PolarHBondContact O-OG 2.97Å; I755-M759 HydrophobicContact CG2-CG 4.22Å; I755-M759 WeakPolarHBondContact O-CG 3.32Å; I755-M759 PolarHBondContact O-N 3.42Å; I755-Q800 HydrophobicContact CG1-CG 4.4Å
756	T	88.2	Confident	81.6	Confident	14 Å²	14	44.6 Å²	44.6	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-41.1	178.1	57.2	0	0	0	0	113.1	F736 A739 F740 A752 K753 L760	F736-T756 HydrophobicContact CE2-CG2 4.42Å; A739-T756 VanDerWaalsContact C-CG2 3.49Å; A739-T756 HydrophobicContact CB-CG2 3.67Å; F740-T756 HydrophobicContact CB-CG2 4.03Å; F740-T756 HydrophobicContact CD2-CG2 4.43Å; A752-T756 WeakPolarHBondContact O-CG2 3.39Å; A752-T756 PolarHBondContact O-N 3.4Å; A752-T756 PolarHBondContact O-OG1 2.91Å; K753-T756 WeakPolarHBondContact CA-OG1 3.21Å; K753-T756 PolarHBondContact O-N 3.19Å; K753-T756 PolarHBondContact O-OG1 3.49Å; T756-L760 VanDerWaalsContact O-CB 3.32Å; T756-L760 WeakPolarHBondContact O-CB 3.35Å; T756-L760 PolarHBondContact O-N 3.33Å
757	F	90	Very high	83.2	Confident	92 Å²	92	49.9 Å²	49.9	40%	0.404	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-44.1	175.8	-71.1	-53.2	0	0	0	112.4	K753 F754 I755 M759 L760 I761	K753-F757 HydrophobicContact CD-CE2 4.08Å; K753-F757 HydrophobicContact CG-CD2 4.08Å; K753-F757 HydrophobicContact CG-CE2 3.55Å; K753-F757 HydrophobicContact CG-CZ 4.27Å; K753-F757 VanDerWaalsContact O-CD2 3.23Å; K753-F757 WeakPolarHBondContact O-CD2 3.34Å; K753-F757 PolarHBondContact O-N 2.89Å; F754-F757 PolarHBondContact O-N 2.84Å; I755-F757 VanDerWaalsContact C-N 3.35Å; I755-F757 PolarHBondContact O-N 2.69Å; F757-M759 VanDerWaalsContact C-N 3.34Å; F757-M759 PolarHBondContact O-N 3.29Å; F757-L760 PolarHBondContact O-N 2.78Å; F757-I761 WeakPolarHBondContact O-CG1 3.46Å; F757-I761 PolarHBondContact O-N 3.26Å
758	S	92.1	Very high	85	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42.4	178.1	67.5	0	0	0	0	112.5	F754 I755 Y762 A795 Q800	F754-S758 PolarHBondContact O-N 3.43Å; F754-S758 PolarHBondContact O-OG 3.07Å; I755-S758 PolarHBondContact O-N 2.02Å; I755-S758 PolarHBondContact O-OG 2.97Å; S758-Y762 PolarHBondContact O-N 3.34Å; S758-Y762 VanDerWaalsContact O-N 3.14Å; S758-A795 WeakPolarHBondContact CB-O 3.31Å; S758-Q800 PolarHBondContact OG-NE2 2.87Å
759	M	91.6	Very high	87	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.5	-33.1	178.6	-65.3	-63.3	94.5	0	0	112.1	I647 A732 F736 I755 F757 Y762 F763 I796	I647-M759 HydrophobicContact CD1-CE 3.43Å; I647-M759 VanDerWaalsContact CD1-CE 3.43Å; I647-M759 HydrophobicContact CD1-SD 4.25Å; I647-M759 HydrophobicContact CG2-SD 4.3Å; A732-M759 HydrophobicContact CB-SD 4.33Å; F736-M759 HydrophobicContact CB-CB 4.13Å; F736-M759 HydrophobicContact CD2-CB 3.91Å; F736-M759 HydrophobicContact CG-CB 4.49Å; I755-M759 HydrophobicContact CG2-CG 4.22Å; I755-M759 WeakPolarHBondContact O-CG 3.32Å; I755-M759 PolarHBondContact O-N 3.42Å; F757-M759 VanDerWaalsContact C-N 3.34Å; F757-M759 PolarHBondContact O-N 3.29Å; M759-Y762 WeakPolarHBondContact O-CB 3.21Å; M759-Y762 PolarHBondContact O-N 3.18Å; M759-F763 HydrophobicContact CB-CE2 4.35Å; M759-F763 WeakPolarHBondContact O-CD2 3.02Å; M759-F763 WeakPolarHBondContact O-CG 3.01Å; M759-F763 PolarHBondContact O-N 3.43Å; M759-I796 HydrophobicContact CE-CD1 4.13Å; M759-I796 HydrophobicContact CE-CG1 3.97Å
760	L	92.1	Very high	88.5	Confident	80 Å²	80	44.6 Å²	44.6	42%	0.419	23%	0.23	S	C	.	.	H	α-helix	trans	-64.5	-45.2	174.3	-176.7	65.6	0	0	0	111.8	T756 F757 Y762 F763 I764	T756-L760 VanDerWaalsContact O-CB 3.32Å; T756-L760 WeakPolarHBondContact O-CB 3.35Å; T756-L760 PolarHBondContact O-N 3.33Å; F757-L760 PolarHBondContact O-N 2.78Å; L760-Y762 VanDerWaalsContact C-N 3.28Å; L760-Y762 PolarHBondContact O-N 3.07Å; L760-F763 PolarHBondContact O-N 3.31Å; L760-I764 HydrophobicContact CD1-CD1 4.5Å; L760-I764 HydrophobicContact CG-CD1 4.14Å; L760-I764 WeakPolarHBondContact O-CG1 3.08Å; L760-I764 PolarHBondContact O-N 3.42Å
761	I	93.7	Very high	89.8	Confident	72 Å²	72	46 Å²	46	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-41.3	176.1	-65.9	166.7	0	0	0	110.3	F757 I764 A765 I791 A795	F757-I761 WeakPolarHBondContact O-CG1 3.46Å; F757-I761 PolarHBondContact O-N 3.26Å; I761-I764 PolarHBondContact O-N 3.1Å; I761-A765 WeakPolarHBondContact O-CB 3.24Å; I761-A765 PolarHBondContact O-N 2.89Å; I761-I791 HydrophobicContact CG2-CG2 4.13Å; I761-A795 HydrophobicContact CB-CB 3.92Å; I761-A795 HydrophobicContact CD1-CB 4.32Å; I761-A795 HydrophobicContact CG2-CB 3.67Å
762	Y	93.4	Very high	90.7	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-51.8	173.3	169.4	-94.9	0	0	0	111.9	F640 I728 A732 S758 M759 L760 I764 A765 W766	F640-Y762 HydrophobicContact CD1-CE2 4.13Å; F640-Y762 AromaticContact CE1-CD2 3.67Å; F640-Y762 HydrophobicContact CE1-CD2 3.67Å; F640-Y762 AromaticContact CE1-CE2 3.11Å; F640-Y762 HydrophobicContact CE1-CE2 3.11Å; F640-Y762 AromaticContact CE1-CZ 3.76Å; F640-Y762 AromaticContact CZ-CD2 3.43Å; F640-Y762 HydrophobicContact CZ-CD2 3.43Å; F640-Y762 VanDerWaalsContact CZ-CD2 3.43Å; F640-Y762 AromaticContact CZ-CE2 3.38Å; F640-Y762 HydrophobicContact CZ-CE2 3.38Å; F640-Y762 HydrophobicContact CZ-CG 4.43Å; I728-Y762 VanDerWaalsContact CG2-OH 3.28Å; I728-Y762 WeakPolarHBondContact CG2-OH 3.4Å; A732-Y762 HydrophobicContact CB-CD1 4.13Å; A732-Y762 HydrophobicContact CB-CE1 3.79Å; S758-Y762 PolarHBondContact O-N 3.34Å; S758-Y762 VanDerWaalsContact O-N 3.14Å; M759-Y762 WeakPolarHBondContact O-CB 3.21Å; M759-Y762 PolarHBondContact O-N 3.18Å; L760-Y762 VanDerWaalsContact C-N 3.28Å; L760-Y762 PolarHBondContact O-N 3.07Å; Y762-I764 VanDerWaalsContact C-N 3.34Å; Y762-I764 PolarHBondContact O-N 3.05Å; Y762-A765 PolarHBondContact O-N 2.91Å; Y762-W766 AromaticContact CD2-CD1 3.32Å; Y762-W766 HydrophobicContact CD2-CG 4.49Å; Y762-W766 AromaticContact CD2-NE1 3.45Å; Y762-W766 AromaticContact CE2-CD1 3.06Å; Y762-W766 HydrophobicContact CE2-CD2 4.45Å; Y762-W766 AromaticContact CE2-CE2 3.91Å; Y762-W766 HydrophobicContact CE2-CG 4Å; Y762-W766 AromaticContact CE2-NE1 2.99Å; Y762-W766 AromaticContact CG-CD1 3.98Å; Y762-W766 AromaticContact CZ-CD1 3.49Å; Y762-W766 VanDerWaalsContact CZ-CD1 3.49Å; Y762-W766 AromaticContact CZ-NE1 3.76Å; Y762-W766 VanDerWaalsContact O-CD1 3.28Å; Y762-W766 PolarHBondContact O-N 2.93Å
763	F	93.7	Very high	91.1	Very high	41 Å²	41	48.7 Å²	48.7	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-42.3	179.8	-69	-53.9	0	0	0	112.9	A732 I733 F736 M759 L760 A765 W766 I767	A732-F763 HydrophobicContact CB-CE1 4.03Å; A732-F763 HydrophobicContact CB-CZ 3.91Å; I733-F763 HydrophobicContact CB-CZ 4.33Å; I733-F763 HydrophobicContact CG1-CE1 3.69Å; I733-F763 HydrophobicContact CG1-CZ 3.58Å; F736-F763 HydrophobicContact CB-CE2 3.87Å; F736-F763 HydrophobicContact CB-CZ 4.37Å; F736-F763 HydrophobicContact CD1-CE2 4.45Å; F736-F763 HydrophobicContact CD2-CE2 4.29Å; F736-F763 AromaticContact CG-CE2 3.96Å; F736-F763 HydrophobicContact CG-CE2 3.96Å; M759-F763 HydrophobicContact CB-CE2 4.35Å; M759-F763 WeakPolarHBondContact O-CD2 3.02Å; M759-F763 WeakPolarHBondContact O-CG 3.01Å; M759-F763 PolarHBondContact O-N 3.43Å; L760-F763 PolarHBondContact O-N 3.31Å; F763-A765 PolarHBondContact O-N 2.88Å; F763-W766 PolarHBondContact O-N 3.23Å; F763-I767 WeakPolarHBondContact O-CB 3.41Å; F763-I767 WeakPolarHBondContact O-CD1 3.43Å; F763-I767 WeakPolarHBondContact O-CG1 3.27Å; F763-I767 PolarHBondContact O-N 3.17Å
764	I	94.6	Very high	91.3	Very high	90 Å²	90	52.4 Å²	52.4	46%	0.462	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-46.9	178.1	-66.4	167.1	0	0	0	110.3	L760 I761 Y762 W766 I767 I768	L760-I764 HydrophobicContact CD1-CD1 4.5Å; L760-I764 HydrophobicContact CG-CD1 4.14Å; L760-I764 WeakPolarHBondContact O-CG1 3.08Å; L760-I764 PolarHBondContact O-N 3.42Å; I761-I764 PolarHBondContact O-N 3.1Å; Y762-I764 VanDerWaalsContact C-N 3.34Å; Y762-I764 PolarHBondContact O-N 3.05Å; I764-W766 PolarHBondContact O-N 2.7Å; I764-I767 PolarHBondContact O-N 3.37Å; I764-I768 HydrophobicContact CG2-CD1 3.86Å; I764-I768 VanDerWaalsContact O-CG1 3.29Å; I764-I768 WeakPolarHBondContact O-CG1 3.41Å; I764-I768 PolarHBondContact O-N 3.28Å; I764-I768 VanDerWaalsContact O-N 3.12Å
765	A	94.5	Very high	91.4	Very high	11 Å²	11	56.5 Å²	56.5	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-42.9	-179.9	0	0	0	0	0	112.5	I761 Y762 F763 I768 F769 V788 I791	I761-A765 WeakPolarHBondContact O-CB 3.24Å; I761-A765 PolarHBondContact O-N 2.89Å; Y762-A765 PolarHBondContact O-N 2.91Å; F763-A765 PolarHBondContact O-N 2.88Å; A765-I768 PolarHBondContact O-N 3.02Å; A765-F769 PolarHBondContact O-N 2.93Å; A765-V788 HydrophobicContact CB-CG1 4.19Å; A765-I791 HydrophobicContact CB-CG2 4.05Å
766	W	93.3	Very high	91.4	Very high	32 Å²	32	58.7 Å²	58.7	12%	0.121	31%	0.309	C	S	.	.	H	α-helix	trans	-77.6	-24.8	-179.3	-77.4	91	0	0	0	114.3	F636 L725 Y762 F763 I764 F769 V788 S792	F636-W766 AromaticContact CE1-CH2 3.69Å; F636-W766 HydrophobicContact CE1-CH2 3.69Å; F636-W766 AromaticContact CE1-CZ2 3.77Å; F636-W766 HydrophobicContact CE1-CZ2 3.77Å; F636-W766 HydrophobicContact CE2-CZ2 4.46Å; F636-W766 AromaticContact CZ-CH2 3.87Å; F636-W766 HydrophobicContact CZ-CH2 3.87Å; F636-W766 AromaticContact CZ-CZ2 3.43Å; F636-W766 HydrophobicContact CZ-CZ2 3.43Å; F636-W766 VanDerWaalsContact CZ-CZ2 3.43Å; L725-W766 HydrophobicContact CD1-CE3 4.29Å; L725-W766 HydrophobicContact CD1-CZ3 3.67Å; L725-W766 HydrophobicContact CD2-CE3 4.28Å; L725-W766 HydrophobicContact CD2-CH2 3.62Å; L725-W766 HydrophobicContact CD2-CZ3 3.48Å; L725-W766 VanDerWaalsContact CD2-CZ3 3.48Å; L725-W766 HydrophobicContact CG-CZ3 4.19Å; Y762-W766 AromaticContact CD2-CD1 3.32Å; Y762-W766 HydrophobicContact CD2-CG 4.49Å; Y762-W766 AromaticContact CD2-NE1 3.45Å; Y762-W766 AromaticContact CE2-CD1 3.06Å; Y762-W766 HydrophobicContact CE2-CD2 4.45Å; Y762-W766 AromaticContact CE2-CE2 3.91Å; Y762-W766 HydrophobicContact CE2-CG 4Å; Y762-W766 AromaticContact CE2-NE1 2.99Å; Y762-W766 AromaticContact CG-CD1 3.98Å; Y762-W766 AromaticContact CZ-CD1 3.49Å; Y762-W766 VanDerWaalsContact CZ-CD1 3.49Å; Y762-W766 AromaticContact CZ-NE1 3.76Å; Y762-W766 VanDerWaalsContact O-CD1 3.28Å; Y762-W766 PolarHBondContact O-N 2.93Å; F763-W766 PolarHBondContact O-N 3.23Å; I764-W766 PolarHBondContact O-N 2.7Å; W766-F769 HydrophobicContact CE3-CB 4.39Å; W766-F769 AromaticContact CE3-CD1 3.85Å; W766-F769 HydrophobicContact CE3-CD1 3.85Å; W766-F769 HydrophobicContact CE3-CE1 4.41Å; W766-F769 HydrophobicContact CE3-CG 4.2Å; W766-F769 AromaticContact CZ3-CD1 3.84Å; W766-F769 HydrophobicContact CZ3-CD1 3.84Å; W766-F769 AromaticContact CZ3-CE1 3.96Å; W766-F769 HydrophobicContact CZ3-CE1 3.96Å; W766-F769 HydrophobicContact CZ3-CG 4.27Å; W766-F769 HydrophobicContact CZ3-CZ 4.49Å; W766-V788 HydrophobicContact CD2-CG1 3.75Å; W766-V788 HydrophobicContact CE3-CG1 4.28Å; W766-V788 HydrophobicContact CG-CG1 4.04Å; W766-V788 HydrophobicContact CH2-CG1 4.4Å; W766-V788 HydrophobicContact CZ2-CG1 3.88Å; W766-S792 PolarHBondContact NE1-OG 3.48Å; W766-S792 VanDerWaalsContact NE1-OG 3.07Å
767	I	92.3	Very high	91	Very high	127 Å²	127	66.7 Å²	66.7	65%	0.651	34%	0.343	S	S	*	.	H	α-helix	trans	-68.8	-41.1	168.9	-71	166.7	0	0	0	110.3	F763 I764 F769 P771	F763-I767 WeakPolarHBondContact O-CB 3.41Å; F763-I767 WeakPolarHBondContact O-CD1 3.43Å; F763-I767 WeakPolarHBondContact O-CG1 3.27Å; F763-I767 PolarHBondContact O-N 3.17Å; I764-I767 PolarHBondContact O-N 3.37Å; I767-F769 VanDerWaalsContact C-N 3.34Å; I767-P771 VanDerWaalsContact O-CD 3.25Å; I767-P771 WeakPolarHBondContact O-CD 3.31Å
768	I	93.4	Very high	90.7	Very high	99 Å²	99	63.7 Å²	63.7	51%	0.508	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-33.7	177.6	-67	168.3	0	0	0	111.7	I764 A765 G770 P771 V772	I764-I768 HydrophobicContact CG2-CD1 3.86Å; I764-I768 VanDerWaalsContact O-CG1 3.29Å; I764-I768 WeakPolarHBondContact O-CG1 3.41Å; I764-I768 PolarHBondContact O-N 3.28Å; I764-I768 VanDerWaalsContact O-N 3.12Å; A765-I768 PolarHBondContact O-N 3.02Å; I768-G770 PolarHBondContact O-N 3.14Å; I768-P771 WeakPolarHBondContact O-CD 3.48Å; I768-V772 HydrophobicContact CG2-CG2 4.02Å; I768-V772 WeakPolarHBondContact O-CG2 3.47Å; I768-V772 PolarHBondContact O-N 3.11Å
769	F	93.1	Very high	90.4	Very high	13 Å²	13	65.9 Å²	65.9	6%	0.057	35%	0.348	C	S	.	.	H	α-helix	trans	-52.8	-47.5	179.8	172.4	-108.7	0	0	0	113.4	F721 L725 A765 W766 I767 V772 Y773 V784 E785 V788	F721-F769 HydrophobicContact CE1-CE1 4.4Å; F721-F769 HydrophobicContact CZ-CE1 4.22Å; F721-F769 HydrophobicContact CZ-CZ 4.17Å; L725-F769 HydrophobicContact CD1-CE1 4.25Å; A765-F769 PolarHBondContact O-N 2.93Å; W766-F769 HydrophobicContact CE3-CB 4.39Å; W766-F769 AromaticContact CE3-CD1 3.85Å; W766-F769 HydrophobicContact CE3-CD1 3.85Å; W766-F769 HydrophobicContact CE3-CE1 4.41Å; W766-F769 HydrophobicContact CE3-CG 4.2Å; W766-F769 AromaticContact CZ3-CD1 3.84Å; W766-F769 HydrophobicContact CZ3-CD1 3.84Å; W766-F769 AromaticContact CZ3-CE1 3.96Å; W766-F769 HydrophobicContact CZ3-CE1 3.96Å; W766-F769 HydrophobicContact CZ3-CG 4.27Å; W766-F769 HydrophobicContact CZ3-CZ 4.49Å; I767-F769 VanDerWaalsContact C-N 3.34Å; F769-V772 PolarHBondContact O-N 3.45Å; F769-Y773 HydrophobicContact CE1-CD2 4.41Å; F769-Y773 HydrophobicContact CE1-CG 4.39Å; F769-Y773 AromaticContact CE2-CD2 3.47Å; F769-Y773 HydrophobicContact CE2-CD2 3.47Å; F769-Y773 VanDerWaalsContact CE2-CD2 3.47Å; F769-Y773 HydrophobicContact CE2-CE2 4.21Å; F769-Y773 AromaticContact CE2-CG 4Å; F769-Y773 HydrophobicContact CE2-CG 4Å; F769-Y773 AromaticContact CZ-CD2 3.39Å; F769-Y773 HydrophobicContact CZ-CD2 3.39Å; F769-Y773 AromaticContact CZ-CE2 3.86Å; F769-Y773 HydrophobicContact CZ-CE2 3.86Å; F769-Y773 AromaticContact CZ-CG 3.76Å; F769-Y773 HydrophobicContact CZ-CG 3.76Å; F769-Y773 VanDerWaalsContact O-CB 3.24Å; F769-Y773 WeakPolarHBondContact O-CB 3.45Å; F769-Y773 PolarHBondContact O-N 3.14Å; F769-V784 HydrophobicContact CD2-CG1 4.12Å; F769-V784 HydrophobicContact CE2-CG1 4.32Å; F769-E785 HydrophobicContact CE2-CB 3.98Å; F769-E785 HydrophobicContact CE2-CG 4.21Å; F769-E785 HydrophobicContact CZ-CG 4.46Å; F769-V788 HydrophobicContact CB-CG1 4.34Å; F769-V788 HydrophobicContact CB-CG2 4.05Å; F769-V788 HydrophobicContact CD2-CB 4.47Å; F769-V788 HydrophobicContact CD2-CG2 4.01Å; F769-V788 HydrophobicContact CG-CG2 4.45Å
770	G	87.6	Confident	90.3	Very high	40 Å²	40	70 Å²	70	41%	0.412	36%	0.364	S	S	.	.	H	α-helix	trans	-56.6	-55.6	-173	0	0	0	0	0	114	I768 V772 K774	I768-G770 PolarHBondContact O-N 3.14Å; G770-V772 PolarHBondContact O-N 2.68Å; G770-K774 PolarHBondContact O-N 2.65Å
771	P	91.1	Very high	90.1	Very high	81 Å²	81	68.4 Å²	68.4	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-37.8	176.2	-25.7	34.3	0	0	0	114.1	I767 I768 N775	I767-P771 VanDerWaalsContact O-CD 3.25Å; I767-P771 WeakPolarHBondContact O-CD 3.31Å; I768-P771 WeakPolarHBondContact O-CD 3.48Å; P771-N775 PolarHBondContact O-N 3.05Å; P771-N775 PolarHBondContact O-ND2 2.97Å
772	V	92.6	Very high	90	Very high	58 Å²	58	66 Å²	66	35%	0.352	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-44.9	-178.4	179.4	0	0	0	0	110.8	I768 F769 G770 K774 N775 V776 V784	I768-V772 HydrophobicContact CG2-CG2 4.02Å; I768-V772 WeakPolarHBondContact O-CG2 3.47Å; I768-V772 PolarHBondContact O-N 3.11Å; F769-V772 PolarHBondContact O-N 3.45Å; G770-V772 PolarHBondContact O-N 2.68Å; V772-K774 VanDerWaalsContact C-N 3.26Å; V772-K774 PolarHBondContact O-N 3.17Å; V772-N775 PolarHBondContact O-N 2.89Å; V772-N775 VanDerWaalsContact O-N 3.14Å; V772-V776 HydrophobicContact CG1-CG2 3.95Å; V772-V776 WeakPolarHBondContact O-CG2 3.31Å; V772-V776 PolarHBondContact O-N 3.13Å; V772-V784 HydrophobicContact CB-CG1 4.11Å; V772-V784 HydrophobicContact CG1-CB 4.5Å; V772-V784 HydrophobicContact CG1-CG1 3.59Å; V772-V784 HydrophobicContact CG1-CG2 4.04Å
773	Y	88.7	Confident	89.9	Confident	28 Å²	28	66.3 Å²	66.3	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-35.5	179.7	-173.6	-93.4	0	0	0	112.7	F769 H781	F769-Y773 HydrophobicContact CE1-CD2 4.41Å; F769-Y773 HydrophobicContact CE1-CG 4.39Å; F769-Y773 AromaticContact CE2-CD2 3.47Å; F769-Y773 HydrophobicContact CE2-CD2 3.47Å; F769-Y773 VanDerWaalsContact CE2-CD2 3.47Å; F769-Y773 HydrophobicContact CE2-CE2 4.21Å; F769-Y773 AromaticContact CE2-CG 4Å; F769-Y773 HydrophobicContact CE2-CG 4Å; F769-Y773 AromaticContact CZ-CD2 3.39Å; F769-Y773 HydrophobicContact CZ-CD2 3.39Å; F769-Y773 AromaticContact CZ-CE2 3.86Å; F769-Y773 HydrophobicContact CZ-CE2 3.86Å; F769-Y773 AromaticContact CZ-CG 3.76Å; F769-Y773 HydrophobicContact CZ-CG 3.76Å; F769-Y773 VanDerWaalsContact O-CB 3.24Å; F769-Y773 WeakPolarHBondContact O-CB 3.45Å; F769-Y773 PolarHBondContact O-N 3.14Å; Y773-H781 AromaticContact CE1-CE1 3.93Å; Y773-H781 AromaticContact CE1-NE2 3.8Å; Y773-H781 AromaticContact CE2-CE1 3.32Å; Y773-H781 WeakPolarHBondContact CE2-CE1 3.49Å; Y773-H781 AromaticContact CE2-NE2 3.82Å; Y773-H781 AromaticContact CZ-CE1 3.25Å; Y773-H781 AromaticContact CZ-NE2 3.61Å; Y773-H781 PolarHBondContact OH-CE1 3.07Å
774	K	86.9	Confident	89.8	Confident	173 Å²	173	65.4 Å²	65.4	75%	0.752	35%	0.346	S	S	*	.	H	α-helix	trans	-72.8	-30.7	178.2	-171.4	176.8	178.7	-178.8	0	113.7	G770 V772	G770-K774 PolarHBondContact O-N 2.65Å; V772-K774 VanDerWaalsContact C-N 3.26Å; V772-K774 PolarHBondContact O-N 3.17Å
775	N	87.6	Confident	89.7	Confident	128 Å²	128	61.2 Å²	61.2	68%	0.684	32%	0.324	S	S	*	.	H	α-helix	trans	-93.4	-31.5	-172.3	-74.5	-50.2	0	0	0	113.3	P771 V772 K777	P771-N775 PolarHBondContact O-N 3.05Å; P771-N775 PolarHBondContact O-ND2 2.97Å; V772-N775 PolarHBondContact O-N 2.89Å; V772-N775 VanDerWaalsContact O-N 3.14Å; N775-K777 PolarHBondContact O-N 3.14Å
776	V	88	Confident	89.6	Confident	47 Å²	47	60.7 Å²	60.7	29%	0.285	32%	0.32	S	S	.	.			trans	-75.7	118	177.6	177.4	0	0	0	0	109.1	V772 H781 V784	V772-V776 HydrophobicContact CG1-CG2 3.95Å; V772-V776 WeakPolarHBondContact O-CG2 3.31Å; V772-V776 PolarHBondContact O-N 3.13Å; V776-H781 PolarHBondContact O-CD2 2.98Å; V776-H781 VanDerWaalsContact O-CD2 3.31Å; V776-V784 HydrophobicContact CB-CG2 4.04Å; V776-V784 HydrophobicContact CG1-CG2 4.06Å; V776-V784 HydrophobicContact CG2-CG2 3.97Å
777	K	80.9	Confident	89.7	Confident	181 Å²	181	62 Å²	62	79%	0.787	33%	0.331	S	S	*	.			trans	-118.2	158.8	172.4	-65.2	-173.8	178.5	-174.8	0	110.1	N775	N775-K777 PolarHBondContact O-N 3.14Å
778	G	84.3	Confident	89.8	Confident	30 Å²	30	56.5 Å²	56.5	31%	0.309	30%	0.303	S	S	.	.	S	Bend	trans	98.3	-159.1	178.8	0	0	0	0	0	113.6	Y780 H781	G778-Y780 VanDerWaalsContact C-N 3.28Å; G778-Y780 PolarHBondContact O-N 2.9Å; G778-H781 WeakPolarHBondContact O-CB 3.32Å; G778-H781 PolarHBondContact O-N 3.25Å
779	E	85.1	Confident	89.9	Confident	45 Å²	45	51.8 Å²	51.8	21%	0.21	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.7	-170.1	67.1	-169.8	157.8	0	0	114.3	L556 L710 H781 P782	L556-E779 VanDerWaalsContact CD1-OE2 3.29Å; L556-E779 WeakPolarHBondContact CD1-OE2 3.4Å; L556-E779 HydrophobicContact CG-CB 4.34Å; L710-E779 HydrophobicContact CD1-CB 4.44Å; E779-H781 VanDerWaalsContact C-N 3.35Å; E779-H781 PolarHBondContact O-N 2.82Å; E779-P782 WeakPolarHBondContact O-CD 3.38Å
780	Y	88.8	Confident	90	Very high	86 Å²	86	51.8 Å²	51.8	34%	0.337	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.5	-178.3	-54.7	-70.4	0	0	0	114.5	L558 D562 Y564 G778 A783	L558-Y780 HydrophobicContact CD1-CD1 4.09Å; L558-Y780 HydrophobicContact CD1-CE1 4.39Å; D562-Y780 WeakPolarHBondContact OD2-CE1 3.47Å; Y564-Y780 HydrophobicContact CD2-CD1 4.18Å; Y564-Y780 AromaticContact CD2-CE1 3.58Å; Y564-Y780 HydrophobicContact CD2-CE1 3.58Å; Y564-Y780 HydrophobicContact CE2-CE1 4.19Å; Y564-Y780 HydrophobicContact CG-CD1 4.49Å; Y564-Y780 HydrophobicContact CG-CE1 4.28Å; G778-Y780 VanDerWaalsContact C-N 3.28Å; G778-Y780 PolarHBondContact O-N 2.9Å; Y780-A783 VanDerWaalsContact O-CB 3.3Å; Y780-A783 WeakPolarHBondContact O-CB 3.38Å; Y780-A783 PolarHBondContact O-N 2.71Å
781	H	89	Confident	90.4	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.222	28%	0.279	C	S	.	.	H	α-helix	trans	-53.9	-44.8	-178.7	176.3	-73.9	0	0	0	113.8	Y773 V776 G778 E779 A783 V784	Y773-H781 AromaticContact CE1-CE1 3.93Å; Y773-H781 AromaticContact CE1-NE2 3.8Å; Y773-H781 AromaticContact CE2-CE1 3.32Å; Y773-H781 WeakPolarHBondContact CE2-CE1 3.49Å; Y773-H781 AromaticContact CE2-NE2 3.82Å; Y773-H781 AromaticContact CZ-CE1 3.25Å; Y773-H781 AromaticContact CZ-NE2 3.61Å; Y773-H781 PolarHBondContact OH-CE1 3.07Å; V776-H781 PolarHBondContact O-CD2 2.98Å; V776-H781 VanDerWaalsContact O-CD2 3.31Å; G778-H781 WeakPolarHBondContact O-CB 3.32Å; G778-H781 PolarHBondContact O-N 3.25Å; E779-H781 VanDerWaalsContact C-N 3.35Å; E779-H781 PolarHBondContact O-N 2.82Å; H781-A783 VanDerWaalsContact C-N 3.26Å; H781-A783 PolarHBondContact O-N 3.43Å; H781-V784 PolarHBondContact O-N 3.4Å
782	P	90.8	Very high	90.6	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.143	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-26.1	176.7	-20.6	33.7	0	0	0	114.4	F620 E779 V784 E785 M786	F620-P782 HydrophobicContact CB-CB 4.44Å; E779-P782 WeakPolarHBondContact O-CD 3.38Å; P782-V784 VanDerWaalsContact C-N 3.29Å; P782-V784 PolarHBondContact O-N 3.2Å; P782-E785 PolarHBondContact O-N 2.98Å; P782-M786 WeakPolarHBondContact O-CG 3.43Å; P782-M786 PolarHBondContact O-N 3.03Å
783	A	91.1	Very high	90.7	Very high	13 Å²	13	46.8 Å²	46.8	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-30.3	-176.6	0	0	0	0	0	112.5	L558 L568 Y780 H781 E785 M786 V787	L558-A783 HydrophobicContact CD2-CB 4.49Å; L568-A783 HydrophobicContact CD1-CB 3.87Å; Y780-A783 VanDerWaalsContact O-CB 3.3Å; Y780-A783 WeakPolarHBondContact O-CB 3.38Å; Y780-A783 PolarHBondContact O-N 2.71Å; H781-A783 VanDerWaalsContact C-N 3.26Å; H781-A783 PolarHBondContact O-N 3.43Å; A783-E785 VanDerWaalsContact C-N 3.27Å; A783-E785 PolarHBondContact O-N 3.34Å; A783-M786 PolarHBondContact O-N 3.31Å; A783-V787 WeakPolarHBondContact O-CG2 3.46Å; A783-V787 PolarHBondContact O-N 3.13Å; A783-V787 VanDerWaalsContact O-N 3.1Å
784	V	92.4	Very high	91.1	Very high	22 Å²	22	46.9 Å²	46.9	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-42.4	176.6	177.7	0	0	0	0	111.1	F769 V772 V776 H781 P782 V788	F769-V784 HydrophobicContact CD2-CG1 4.12Å; F769-V784 HydrophobicContact CE2-CG1 4.32Å; V772-V784 HydrophobicContact CB-CG1 4.11Å; V772-V784 HydrophobicContact CG1-CB 4.5Å; V772-V784 HydrophobicContact CG1-CG1 3.59Å; V772-V784 HydrophobicContact CG1-CG2 4.04Å; V776-V784 HydrophobicContact CB-CG2 4.04Å; V776-V784 HydrophobicContact CG1-CG2 4.06Å; V776-V784 HydrophobicContact CG2-CG2 3.97Å; H781-V784 PolarHBondContact O-N 3.4Å; P782-V784 VanDerWaalsContact C-N 3.29Å; P782-V784 PolarHBondContact O-N 3.2Å; V784-V788 WeakPolarHBondContact O-CG2 3.18Å; V784-V788 PolarHBondContact O-N 2.87Å
785	E	91.4	Very high	91.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-72.4	-42	-179.6	-171.9	165.2	-163.5	0	0	111.9	F620 Q633 F769 P782 A783 V787 V788 I789	F620-E785 VanDerWaalsContact CE1-CD 3.42Å; F620-E785 HydrophobicContact CE1-CG 4.02Å; F620-E785 VanDerWaalsContact CE1-OE2 3.24Å; F620-E785 WeakPolarHBondContact CE1-OE2 3.45Å; F620-E785 HydrophobicContact CZ-CG 4.37Å; Q633-E785 VanDerWaalsContact CD-OE1 3.29Å; Q633-E785 VanDerWaalsContact NE2-CD 3.28Å; Q633-E785 PolarHBondContact NE2-OE1 3.18Å; Q633-E785 PolarHBondContact NE2-OE2 3.21Å; Q633-E785 PolarHBondContact OE1-OE1 3.3Å; F769-E785 HydrophobicContact CE2-CB 3.98Å; F769-E785 HydrophobicContact CE2-CG 4.21Å; F769-E785 HydrophobicContact CZ-CG 4.46Å; P782-E785 PolarHBondContact O-N 2.98Å; A783-E785 VanDerWaalsContact C-N 3.27Å; A783-E785 PolarHBondContact O-N 3.34Å; E785-V787 VanDerWaalsContact C-N 3.29Å; E785-V787 PolarHBondContact O-N 3.16Å; E785-V788 PolarHBondContact O-N 3.17Å; E785-V788 VanDerWaalsContact O-N 3.16Å; E785-I789 HydrophobicContact CG-CD1 4.02Å; E785-I789 WeakPolarHBondContact O-CG1 3.27Å; E785-I789 PolarHBondContact O-N 3.42Å
786	M	94.1	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-55.6	-43.5	175.6	-63.8	173.2	75	0	0	112	L558 L568 V617 F620 P782 A783 V788 I789 V790	L558-M786 HydrophobicContact CD2-SD 4.48Å; L568-M786 HydrophobicContact CB-CE 4.14Å; L568-M786 HydrophobicContact CD1-CB 4.16Å; L568-M786 HydrophobicContact CD1-CE 4.4Å; L568-M786 HydrophobicContact CD1-SD 4.2Å; V617-M786 HydrophobicContact CG1-CB 4.01Å; V617-M786 HydrophobicContact CG1-CE 3.34Å; V617-M786 HydrophobicContact CG1-CG 4.02Å; F620-M786 HydrophobicContact CB-CG 3.68Å; F620-M786 HydrophobicContact CB-SD 3.86Å; F620-M786 HydrophobicContact CG-CG 4.16Å; P782-M786 WeakPolarHBondContact O-CG 3.43Å; P782-M786 PolarHBondContact O-N 3.03Å; A783-M786 PolarHBondContact O-N 3.31Å; M786-V788 PolarHBondContact O-N 3.33Å; M786-I789 PolarHBondContact O-N 3.28Å; M786-V790 WeakPolarHBondContact O-CB 3.36Å; M786-V790 VanDerWaalsContact O-CG2 3.26Å; M786-V790 WeakPolarHBondContact O-CG2 3.37Å; M786-V790 PolarHBondContact O-N 2.99Å
787	V	94.7	Very high	92	Very high	60 Å²	60	31 Å²	31	36%	0.364	16%	0.161	S	C	.	.	H	α-helix	trans	-58.7	-47.3	178	170.4	0	0	0	0	111.2	L568 A783 E785 V790 I791	L568-V787 HydrophobicContact CD1-CG2 4.48Å; L568-V787 HydrophobicContact CD2-CG2 3.59Å; A783-V787 WeakPolarHBondContact O-CG2 3.46Å; A783-V787 PolarHBondContact O-N 3.13Å; A783-V787 VanDerWaalsContact O-N 3.1Å; E785-V787 VanDerWaalsContact C-N 3.29Å; E785-V787 PolarHBondContact O-N 3.16Å; V787-V790 PolarHBondContact O-N 3.41Å; V787-I791 HydrophobicContact CG1-CD1 3.68Å; V787-I791 HydrophobicContact CG1-CG1 4.45Å; V787-I791 VanDerWaalsContact O-CG1 3.28Å; V787-I791 WeakPolarHBondContact O-CG1 3.41Å; V787-I791 PolarHBondContact O-N 3.31Å
788	V	94.7	Very high	92.5	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-37.9	-176.1	176	0	0	0	0	111.5	A765 W766 F769 V784 E785 M786 S792	A765-V788 HydrophobicContact CB-CG1 4.19Å; W766-V788 HydrophobicContact CD2-CG1 3.75Å; W766-V788 HydrophobicContact CE3-CG1 4.28Å; W766-V788 HydrophobicContact CG-CG1 4.04Å; W766-V788 HydrophobicContact CH2-CG1 4.4Å; W766-V788 HydrophobicContact CZ2-CG1 3.88Å; F769-V788 HydrophobicContact CB-CG1 4.34Å; F769-V788 HydrophobicContact CB-CG2 4.05Å; F769-V788 HydrophobicContact CD2-CB 4.47Å; F769-V788 HydrophobicContact CD2-CG2 4.01Å; F769-V788 HydrophobicContact CG-CG2 4.45Å; V784-V788 WeakPolarHBondContact O-CG2 3.18Å; V784-V788 PolarHBondContact O-N 2.87Å; E785-V788 PolarHBondContact O-N 3.17Å; E785-V788 VanDerWaalsContact O-N 3.16Å; M786-V788 PolarHBondContact O-N 3.33Å; V788-S792 WeakPolarHBondContact O-CB 3.27Å; V788-S792 PolarHBondContact O-N 2.86Å; V788-S792 PolarHBondContact O-OG 3.05Å
789	I	95.2	Very high	92.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-48.9	174	-65.7	171.2	0	0	0	110.5	T613 V617 F620 F636 E785 M786 S792 A793	T613-I789 HydrophobicContact CG2-CG2 3.82Å; V617-I789 HydrophobicContact CG2-CB 4.37Å; V617-I789 HydrophobicContact CG2-CG2 3.75Å; F620-I789 HydrophobicContact CE2-CD1 3.94Å; F620-I789 HydrophobicContact CZ-CD1 4.07Å; F636-I789 HydrophobicContact CB-CD1 4.36Å; F636-I789 HydrophobicContact CD1-CD1 4.21Å; F636-I789 HydrophobicContact CD1-CG1 4.48Å; F636-I789 HydrophobicContact CD2-CB 4.39Å; F636-I789 HydrophobicContact CD2-CD1 3.75Å; F636-I789 HydrophobicContact CD2-CG1 3.75Å; F636-I789 HydrophobicContact CD2-CG2 3.78Å; F636-I789 HydrophobicContact CE1-CG1 4.38Å; F636-I789 HydrophobicContact CE2-CB 4.23Å; F636-I789 HydrophobicContact CE2-CD1 4.17Å; F636-I789 HydrophobicContact CE2-CG1 3.64Å; F636-I789 HydrophobicContact CE2-CG2 3.85Å; F636-I789 HydrophobicContact CG-CD1 3.81Å; F636-I789 HydrophobicContact CG-CG1 4.2Å; F636-I789 HydrophobicContact CZ-CG1 3.99Å; E785-I789 HydrophobicContact CG-CD1 4.02Å; E785-I789 WeakPolarHBondContact O-CG1 3.27Å; E785-I789 PolarHBondContact O-N 3.42Å; M786-I789 PolarHBondContact O-N 3.28Å; I789-S792 WeakPolarHBondContact O-CB 3.45Å; I789-S792 PolarHBondContact O-N 2.99Å; I789-A793 PolarHBondContact O-N 3.06Å
790	V	95.6	Very high	92.9	Very high	12 Å²	12	24.8 Å²	24.8	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-45.7	-179	170.5	0	0	0	0	111.3	V617 M786 V787 S792 A793 Y794	V617-V790 HydrophobicContact CG1-CG2 4.32Å; V617-V790 HydrophobicContact CG2-CG2 3.96Å; M786-V790 WeakPolarHBondContact O-CB 3.36Å; M786-V790 VanDerWaalsContact O-CG2 3.26Å; M786-V790 WeakPolarHBondContact O-CG2 3.37Å; M786-V790 PolarHBondContact O-N 2.99Å; V787-V790 PolarHBondContact O-N 3.41Å; V790-S792 VanDerWaalsContact C-N 3.3Å; V790-S792 PolarHBondContact O-N 3.43Å; V790-A793 PolarHBondContact O-N 3.08Å; V790-Y794 HydrophobicContact CG1-CD2 3.49Å; V790-Y794 VanDerWaalsContact CG1-CD2 3.49Å; V790-Y794 HydrophobicContact CG1-CE2 3.49Å; V790-Y794 VanDerWaalsContact CG1-CE2 3.49Å; V790-Y794 VanDerWaalsContact O-CD2 3.26Å; V790-Y794 WeakPolarHBondContact O-CD2 3.41Å; V790-Y794 PolarHBondContact O-N 3.05Å
791	I	95.7	Very high	92.9	Very high	75 Å²	75	20.8 Å²	20.8	39%	0.385	11%	0.112	S	C	.	.	H	α-helix	trans	-57.8	-44.7	175.7	-70.6	168.1	0	0	0	110.8	I761 A765 V787 Y794 A795	I761-I791 HydrophobicContact CG2-CG2 4.13Å; A765-I791 HydrophobicContact CB-CG2 4.05Å; V787-I791 HydrophobicContact CG1-CD1 3.68Å; V787-I791 HydrophobicContact CG1-CG1 4.45Å; V787-I791 VanDerWaalsContact O-CG1 3.28Å; V787-I791 WeakPolarHBondContact O-CG1 3.41Å; V787-I791 PolarHBondContact O-N 3.31Å; I791-Y794 PolarHBondContact O-N 3.49Å; I791-A795 WeakPolarHBondContact O-CB 3.4Å; I791-A795 PolarHBondContact O-N 3.19Å
792	S	95.1	Very high	92.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-43.5	-179.8	-60.3	0	0	0	0	112.2	W766 V788 I789 V790 A795 I796	W766-S792 PolarHBondContact NE1-OG 3.48Å; W766-S792 VanDerWaalsContact NE1-OG 3.07Å; V788-S792 WeakPolarHBondContact O-CB 3.27Å; V788-S792 PolarHBondContact O-N 2.86Å; V788-S792 PolarHBondContact O-OG 3.05Å; I789-S792 WeakPolarHBondContact O-CB 3.45Å; I789-S792 PolarHBondContact O-N 2.99Å; V790-S792 VanDerWaalsContact C-N 3.3Å; V790-S792 PolarHBondContact O-N 3.43Å; S792-A795 PolarHBondContact O-N 2.9Å; S792-I796 PolarHBondContact O-N 2.94Å
793	A	95.6	Very high	92.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-43.6	178.5	0	0	0	0	0	112	L610 T613 F614 I789 V790 A795 I796 L797	L610-A793 HydrophobicContact CD2-CB 4.24Å; T613-A793 HydrophobicContact CG2-CB 4.21Å; F614-A793 HydrophobicContact CD1-CB 4.35Å; F614-A793 HydrophobicContact CD2-CB 4.5Å; F614-A793 HydrophobicContact CE1-CB 3.75Å; F614-A793 HydrophobicContact CE2-CB 3.92Å; F614-A793 HydrophobicContact CZ-CB 3.51Å; I789-A793 PolarHBondContact O-N 3.06Å; V790-A793 PolarHBondContact O-N 3.08Å; A793-A795 PolarHBondContact O-N 3.31Å; A793-I796 PolarHBondContact O-N 3.02Å; A793-L797 WeakPolarHBondContact O-CB 3.23Å; A793-L797 PolarHBondContact O-N 3.35Å
794	Y	95.8	Very high	91.8	Very high	30 Å²	30	25.4 Å²	25.4	12%	0.118	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-37.5	176.1	-85.9	-62.8	0	0	0	113.1	F571 G575 L578 F614 V790 I791 I796 L797 F798	F571-Y794 PolarHBondContact O-OH 3.42Å; G575-Y794 VanDerWaalsContact CA-OH 3.22Å; G575-Y794 WeakPolarHBondContact CA-OH 3.42Å; G575-Y794 PolarHBondContact N-OH 3.23Å; L578-Y794 HydrophobicContact CD1-CE1 4.25Å; F614-Y794 HydrophobicContact CE1-CD2 4.18Å; F614-Y794 HydrophobicContact CE1-CE2 4.03Å; F614-Y794 HydrophobicContact CZ-CD1 4.36Å; F614-Y794 HydrophobicContact CZ-CD2 4.31Å; F614-Y794 HydrophobicContact CZ-CE1 4.45Å; F614-Y794 HydrophobicContact CZ-CE2 4.34Å; F614-Y794 HydrophobicContact CZ-CG 4.33Å; V790-Y794 HydrophobicContact CG1-CD2 3.49Å; V790-Y794 VanDerWaalsContact CG1-CD2 3.49Å; V790-Y794 HydrophobicContact CG1-CE2 3.49Å; V790-Y794 VanDerWaalsContact CG1-CE2 3.49Å; V790-Y794 VanDerWaalsContact O-CD2 3.26Å; V790-Y794 WeakPolarHBondContact O-CD2 3.41Å; V790-Y794 PolarHBondContact O-N 3.05Å; I791-Y794 PolarHBondContact O-N 3.49Å; Y794-I796 VanDerWaalsContact C-N 3.3Å; Y794-I796 PolarHBondContact O-N 3.36Å; Y794-L797 HydrophobicContact CD1-CD2 4.31Å; Y794-L797 PolarHBondContact O-N 3.11Å; Y794-F798 AromaticContact CD1-CD2 3.76Å; Y794-F798 HydrophobicContact CD1-CD2 3.76Å; Y794-F798 AromaticContact CD1-CE2 3.16Å; Y794-F798 HydrophobicContact CD1-CE2 3.16Å; Y794-F798 AromaticContact CD1-CZ 3.88Å; Y794-F798 HydrophobicContact CD1-CZ 3.88Å; Y794-F798 AromaticContact CE1-CE2 3.71Å; Y794-F798 HydrophobicContact CE1-CE2 3.71Å; Y794-F798 HydrophobicContact CE1-CZ 4.02Å; Y794-F798 HydrophobicContact CG-CD2 4.35Å; Y794-F798 AromaticContact CG-CE2 3.98Å; Y794-F798 HydrophobicContact CG-CE2 3.98Å; Y794-F798 WeakPolarHBondContact O-CB 3.34Å; Y794-F798 WeakPolarHBondContact O-CD2 3.22Å; Y794-F798 PolarHBondContact O-N 3.01Å
795	A	94.8	Very high	91.4	Very high	9 Å²	9	25.1 Å²	25.1	7%	0.074	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-42.6	175.7	0	0	0	0	0	111.5	S758 I761 I791 S792 A793 C799	S758-A795 WeakPolarHBondContact CB-O 3.31Å; I761-A795 HydrophobicContact CB-CB 3.92Å; I761-A795 HydrophobicContact CD1-CB 4.32Å; I761-A795 HydrophobicContact CG2-CB 3.67Å; I791-A795 WeakPolarHBondContact O-CB 3.4Å; I791-A795 PolarHBondContact O-N 3.19Å; S792-A795 PolarHBondContact O-N 2.9Å; A793-A795 PolarHBondContact O-N 3.31Å; A795-C799 WeakPolarHBondContact O-CB 3.36Å; A795-C799 PolarHBondContact O-N 3.22Å; A795-C799 PolarHBondContact O-SG 3.25Å
796	I	93.7	Very high	91	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.5	-47.5	176.3	-61.4	171.6	0	0	0	110.5	L606 L610 F640 I647 M759 S792 A793 Y794 Q800	L606-I796 HydrophobicContact CD1-CG2 4.25Å; L606-I796 HydrophobicContact CD2-CG2 4.49Å; L610-I796 HydrophobicContact CD1-CB 4.38Å; L610-I796 HydrophobicContact CD1-CG2 3.85Å; L610-I796 HydrophobicContact CD2-CB 4.02Å; L610-I796 HydrophobicContact CD2-CD1 4.22Å; L610-I796 HydrophobicContact CD2-CG2 4.08Å; L610-I796 HydrophobicContact CG-CG2 4.41Å; F640-I796 HydrophobicContact CE2-CD1 3.8Å; F640-I796 HydrophobicContact CZ-CD1 3.94Å; I647-I796 HydrophobicContact CD1-CD1 3.99Å; I647-I796 HydrophobicContact CD1-CG1 4.21Å; I647-I796 HydrophobicContact CD1-CG2 4.18Å; M759-I796 HydrophobicContact CE-CD1 4.13Å; M759-I796 HydrophobicContact CE-CG1 3.97Å; S792-I796 PolarHBondContact O-N 2.94Å; A793-I796 PolarHBondContact O-N 3.02Å; Y794-I796 VanDerWaalsContact C-N 3.3Å; Y794-I796 PolarHBondContact O-N 3.36Å; I796-Q800 HydrophobicContact CG2-CG 4.5Å; I796-Q800 VanDerWaalsContact O-CB 3.29Å; I796-Q800 WeakPolarHBondContact O-CB 3.47Å; I796-Q800 WeakPolarHBondContact O-CG 3.39Å; I796-Q800 PolarHBondContact O-N 2.95Å; I796-Q800 VanDerWaalsContact O-N 3.08Å
797	L	93.3	Very high	90.3	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-54.6	-178	-177.6	65.5	0	0	0	111.8	L578 V582 L607 L610 A793 Y794 F801	L578-L797 HydrophobicContact CB-CD2 3.96Å; V582-L797 HydrophobicContact CG2-CD1 4.39Å; L607-L797 HydrophobicContact CD2-CD1 4.36Å; L610-L797 HydrophobicContact CD1-CB 4.49Å; A793-L797 WeakPolarHBondContact O-CB 3.23Å; A793-L797 PolarHBondContact O-N 3.35Å; Y794-L797 HydrophobicContact CD1-CD2 4.31Å; Y794-L797 PolarHBondContact O-N 3.11Å; L797-F801 HydrophobicContact CD1-CD2 4.46Å; L797-F801 WeakPolarHBondContact O-CB 3.31Å; L797-F801 PolarHBondContact O-N 2.63Å; L797-F801 VanDerWaalsContact O-N 3.14Å
798	F	91.8	Very high	89.6	Confident	94 Å²	94	30.9 Å²	30.9	41%	0.412	15%	0.151	S	C	.	.	H	α-helix	trans	-72.5	-46.6	-175.3	-73.1	-58.9	0	0	0	112.6	L578 Y794 Q800 L802	L578-F798 HydrophobicContact CD1-CE1 4.48Å; L578-F798 HydrophobicContact CD1-CZ 4.14Å; Y794-F798 AromaticContact CD1-CD2 3.76Å; Y794-F798 HydrophobicContact CD1-CD2 3.76Å; Y794-F798 AromaticContact CD1-CE2 3.16Å; Y794-F798 HydrophobicContact CD1-CE2 3.16Å; Y794-F798 AromaticContact CD1-CZ 3.88Å; Y794-F798 HydrophobicContact CD1-CZ 3.88Å; Y794-F798 AromaticContact CE1-CE2 3.71Å; Y794-F798 HydrophobicContact CE1-CE2 3.71Å; Y794-F798 HydrophobicContact CE1-CZ 4.02Å; Y794-F798 HydrophobicContact CG-CD2 4.35Å; Y794-F798 AromaticContact CG-CE2 3.98Å; Y794-F798 HydrophobicContact CG-CE2 3.98Å; Y794-F798 WeakPolarHBondContact O-CB 3.34Å; Y794-F798 WeakPolarHBondContact O-CD2 3.22Å; Y794-F798 PolarHBondContact O-N 3.01Å; F798-Q800 PolarHBondContact O-N 2.66Å; F798-L802 HydrophobicContact CD1-CD1 4.5Å; F798-L802 WeakPolarHBondContact O-CB 3.08Å; F798-L802 PolarHBondContact O-N 3.2Å
799	C	90.1	Very high	89	Confident	26 Å²	26	34.5 Å²	34.5	18%	0.176	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-41.5	-177.6	-65.9	0	0	0	0	111.5	F754 A795	F754-C799 HydrophobicContact CB-CB 4.45Å; F754-C799 VanDerWaalsContact CB-O 3.22Å; F754-C799 WeakPolarHBondContact CB-O 3.42Å; F754-C799 WeakPolarHBondContact CG-O 3.39Å; A795-C799 WeakPolarHBondContact O-CB 3.36Å; A795-C799 PolarHBondContact O-N 3.22Å; A795-C799 PolarHBondContact O-SG 3.25Å
800	Q	87.2	Confident	88.2	Confident	5 Å²	5	42 Å²	42	2%	0.023	20%	0.202	C	C	.	.	H	α-helix	trans	-89.1	-29	-170.7	-59.3	-162.8	31.9	0	0	115	I647 I755 S758 I796 F798 K804	I647-Q800 VanDerWaalsContact CD1-NE2 3.3Å; I755-Q800 HydrophobicContact CG1-CG 4.4Å; S758-Q800 PolarHBondContact OG-NE2 2.87Å; I796-Q800 HydrophobicContact CG2-CG 4.5Å; I796-Q800 VanDerWaalsContact O-CB 3.29Å; I796-Q800 WeakPolarHBondContact O-CB 3.47Å; I796-Q800 WeakPolarHBondContact O-CG 3.39Å; I796-Q800 PolarHBondContact O-N 2.95Å; I796-Q800 VanDerWaalsContact O-N 3.08Å; F798-Q800 PolarHBondContact O-N 2.66Å; Q800-K804 WeakPolarHBondContact O-CE 3.31Å
801	F	88.7	Confident	87.2	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-113	-25	-171	-61.6	-84.1	0	0	0	114.3	V582 F586 C603 L606 L607 L610 L797 I803 K804 C805	V582-F801 HydrophobicContact CG1-CB 3.88Å; V582-F801 HydrophobicContact CG1-CD1 4.02Å; V582-F801 HydrophobicContact CG1-CG 4.07Å; F586-F801 HydrophobicContact CE1-CD1 4.17Å; F586-F801 HydrophobicContact CE1-CE1 4.29Å; F586-F801 HydrophobicContact CE2-CD1 4.13Å; F586-F801 AromaticContact CZ-CD1 3.74Å; F586-F801 HydrophobicContact CZ-CD1 3.74Å; F586-F801 HydrophobicContact CZ-CE1 4.31Å; C603-F801 HydrophobicContact CB-CE1 4.3Å; L606-F801 HydrophobicContact CB-CZ 4.45Å; L606-F801 HydrophobicContact CD2-CE2 3.98Å; L606-F801 HydrophobicContact CD2-CZ 3.73Å; L606-F801 HydrophobicContact CG-CE2 4.22Å; L606-F801 HydrophobicContact CG-CZ 4Å; L607-F801 HydrophobicContact CD1-CD1 4.27Å; L607-F801 HydrophobicContact CD1-CE1 3.84Å; L607-F801 HydrophobicContact CD1-CZ 4.28Å; L607-F801 HydrophobicContact CD2-CD1 4.08Å; L607-F801 HydrophobicContact CD2-CD2 4.02Å; L607-F801 HydrophobicContact CD2-CE1 3.88Å; L607-F801 HydrophobicContact CD2-CE2 3.8Å; L607-F801 HydrophobicContact CD2-CG 4.15Å; L607-F801 HydrophobicContact CD2-CZ 3.71Å; L607-F801 HydrophobicContact CG-CD1 4.37Å; L607-F801 HydrophobicContact CG-CE1 3.75Å; L607-F801 HydrophobicContact CG-CE2 4.26Å; L607-F801 HydrophobicContact CG-CZ 3.67Å; L610-F801 HydrophobicContact CD1-CE2 4.17Å; L797-F801 HydrophobicContact CD1-CD2 4.46Å; L797-F801 WeakPolarHBondContact O-CB 3.31Å; L797-F801 PolarHBondContact O-N 2.63Å; L797-F801 VanDerWaalsContact O-N 3.14Å; F801-I803 PolarHBondContact O-N 3.27Å; F801-K804 PolarHBondContact O-N 3.03Å; F801-K804 VanDerWaalsContact O-N 3.11Å; F801-C805 PolarHBondContact O-N 3.28Å; F801-C805 PolarHBondContact O-SG 3.49Å; F801-C805 VanDerWaalsContact O-SG 3.41Å
802	L	84.6	Confident	86	Confident	103 Å²	103	48 Å²	48	54%	0.539	23%	0.226	S	C	.	.	H	α-helix	trans	-56.2	-48.3	-174.9	-175.9	66.4	0	0	0	112.6	F798 K804 C805 Y806	F798-L802 HydrophobicContact CD1-CD1 4.5Å; F798-L802 WeakPolarHBondContact O-CB 3.08Å; F798-L802 PolarHBondContact O-N 3.2Å; L802-K804 VanDerWaalsContact C-N 3.32Å; L802-K804 PolarHBondContact O-N 3.26Å; L802-C805 PolarHBondContact O-N 3.34Å; L802-Y806 WeakPolarHBondContact O-CB 3.31Å; L802-Y806 PolarHBondContact O-N 3.35Å
803	I	81.5	Confident	84.7	Confident	68 Å²	68	56 Å²	56	35%	0.349	26%	0.264	S	S	.	.	H	α-helix	trans	-70.9	-31.4	-177.6	-66.5	166.8	0	0	0	111.2	F754 F801 Y806 I807	F754-I803 HydrophobicContact CD1-CD1 4Å; F754-I803 HydrophobicContact CD2-CD1 4.2Å; F754-I803 HydrophobicContact CE1-CD1 3.25Å; F754-I803 HydrophobicContact CE2-CD1 3.48Å; F754-I803 VanDerWaalsContact CE2-CD1 3.48Å; F754-I803 HydrophobicContact CG-CD1 4.46Å; F754-I803 HydrophobicContact CZ-CD1 2.97Å; F754-I803 HydrophobicContact CZ-CG1 4.44Å; F801-I803 PolarHBondContact O-N 3.27Å; I803-Y806 WeakPolarHBondContact O-CB 3.45Å; I803-Y806 PolarHBondContact O-N 3.24Å; I803-I807 HydrophobicContact CG2-CD1 4.08Å; I803-I807 VanDerWaalsContact O-CG1 3.32Å; I803-I807 WeakPolarHBondContact O-CG1 3.43Å; I803-I807 PolarHBondContact O-N 3.06Å
804	K	82.4	Confident	83.1	Confident	10 Å²	10	60.7 Å²	60.7	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-71.9	-44.1	178.1	-60.7	-172.5	-175.5	-163.4	0	111.5	F586 V594 S598 D751 Q800 F801 L802 Y806 I807 I808	F586-K804 HydrophobicContact CZ-CB 3.93Å; F586-K804 HydrophobicContact CZ-CD 4.2Å; V594-K804 HydrophobicContact CG1-CB 4.3Å; S598-K804 PolarHBondContact OG-NZ 3.27Å; D751-K804 WeakPolarHBondContact OD1-CE 3.32Å; D751-K804 IonicContact OD1-NZ 2.97Å; D751-K804 PolarHBondContact OD1-NZ 3.5Å; D751-K804 IonicContact OD2-NZ 2.68Å; D751-K804 PolarHBondContact OD2-NZ 2.83Å; Q800-K804 WeakPolarHBondContact O-CE 3.31Å; F801-K804 PolarHBondContact O-N 3.03Å; F801-K804 VanDerWaalsContact O-N 3.11Å; L802-K804 VanDerWaalsContact C-N 3.32Å; L802-K804 PolarHBondContact O-N 3.26Å; K804-Y806 VanDerWaalsContact C-N 3.26Å; K804-Y806 PolarHBondContact O-N 3.46Å; K804-I807 PolarHBondContact O-N 2.83Å; K804-I808 WeakPolarHBondContact O-CB 3.42Å; K804-I808 VanDerWaalsContact O-CG1 3.23Å; K804-I808 WeakPolarHBondContact O-CG1 3.26Å; K804-I808 PolarHBondContact O-N 3.26Å
805	C	84.3	Confident	81.7	Confident	15 Å²	15	60.4 Å²	60.4	10%	0.101	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-40.9	171.4	-68.1	0	0	0	0	111.2	F801 L802 I808 L809	F801-C805 PolarHBondContact O-N 3.28Å; F801-C805 PolarHBondContact O-SG 3.49Å; F801-C805 VanDerWaalsContact O-SG 3.41Å; L802-C805 PolarHBondContact O-N 3.34Å; C805-I808 PolarHBondContact O-N 3.32Å; C805-L809 WeakPolarHBondContact O-CB 3.44Å; C805-L809 WeakPolarHBondContact O-CG 3.28Å; C805-L809 PolarHBondContact O-N 3.12Å
806	Y	82.6	Confident	80.6	Confident	139 Å²	139	63 Å²	63	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-45.2	175.8	-179.6	-100.1	0	0	0	112.4	L802 I803 K804 F810	L802-Y806 WeakPolarHBondContact O-CB 3.31Å; L802-Y806 PolarHBondContact O-N 3.35Å; I803-Y806 WeakPolarHBondContact O-CB 3.45Å; I803-Y806 PolarHBondContact O-N 3.24Å; K804-Y806 VanDerWaalsContact C-N 3.26Å; K804-Y806 PolarHBondContact O-N 3.46Å; Y806-F810 HydrophobicContact CD2-CB 4.29Å; Y806-F810 AromaticContact CD2-CD2 3.82Å; Y806-F810 HydrophobicContact CD2-CD2 3.82Å; Y806-F810 HydrophobicContact CD2-CG 4.36Å; Y806-F810 HydrophobicContact CE2-CB 4.09Å; Y806-F810 HydrophobicContact CE2-CD2 4.19Å; Y806-F810 HydrophobicContact CE2-CG 4.31Å; Y806-F810 WeakPolarHBondContact O-CB 3.44Å; Y806-F810 PolarHBondContact O-N 3.1Å
807	I	78.6	Confident	79.3	Confident	39 Å²	39	68.1 Å²	68.1	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-44.2	176.4	-66.5	165.6	0	0	0	111.3	V594 I803 K804 L809 K811	V594-I807 HydrophobicContact CG2-CG2 4.04Å; I803-I807 HydrophobicContact CG2-CD1 4.08Å; I803-I807 VanDerWaalsContact O-CG1 3.32Å; I803-I807 WeakPolarHBondContact O-CG1 3.43Å; I803-I807 PolarHBondContact O-N 3.06Å; K804-I807 PolarHBondContact O-N 2.83Å; I807-L809 PolarHBondContact O-N 3.25Å; I807-K811 CarbonylContact O-C 3.58Å; I807-K811 VanDerWaalsContact O-C 3.25Å; I807-K811 PolarHBondContact O-N 2.94Å
808	I	81.1	Confident	77.9	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-39.6	-178.8	-69.7	166.5	0	0	0	111.8	I585 F586 R589 V594 V595 K804 C805	I585-I808 HydrophobicContact CG2-CG2 4.06Å; F586-I808 HydrophobicContact CE2-CD1 4.17Å; F586-I808 HydrophobicContact CZ-CD1 4.38Å; R589-I808 HydrophobicContact CB-CG2 4.19Å; R589-I808 HydrophobicContact CG-CG2 3.94Å; V594-I808 HydrophobicContact CB-CG1 4.34Å; V594-I808 HydrophobicContact CG1-CD1 4.16Å; V594-I808 HydrophobicContact CG1-CG1 4.14Å; V595-I808 HydrophobicContact CG2-CD1 4.11Å; K804-I808 WeakPolarHBondContact O-CB 3.42Å; K804-I808 VanDerWaalsContact O-CG1 3.23Å; K804-I808 WeakPolarHBondContact O-CG1 3.26Å; K804-I808 PolarHBondContact O-N 3.26Å; C805-I808 PolarHBondContact O-N 3.32Å
809	L	80.6	Confident	76.6	Confident	87 Å²	87	68.1 Å²	68.1	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-89.3	-43.9	-174.8	-66.9	173.8	0	0	0	113.4	I585 C805 I807	I585-L809 HydrophobicContact CD1-CD1 4.13Å; C805-L809 WeakPolarHBondContact O-CB 3.44Å; C805-L809 WeakPolarHBondContact O-CG 3.28Å; C805-L809 PolarHBondContact O-N 3.12Å; I807-L809 PolarHBondContact O-N 3.25Å
810	F	79.8	Confident	75.4	Confident	157 Å²	157	69.3 Å²	69.3	69%	0.689	34%	0.344	S	S	*	.	H	α-helix	trans	-112.1	-13.7	-167.3	-62.9	-79.4	0	0	0	114.5	Y806	Y806-F810 HydrophobicContact CD2-CB 4.29Å; Y806-F810 AromaticContact CD2-CD2 3.82Å; Y806-F810 HydrophobicContact CD2-CD2 3.82Å; Y806-F810 HydrophobicContact CD2-CG 4.36Å; Y806-F810 HydrophobicContact CE2-CB 4.09Å; Y806-F810 HydrophobicContact CE2-CD2 4.19Å; Y806-F810 HydrophobicContact CE2-CG 4.31Å; Y806-F810 WeakPolarHBondContact O-CB 3.44Å; Y806-F810 PolarHBondContact O-N 3.1Å
811	K	74.6	Confident	74.4	Confident	86 Å²	86	76.1 Å²	76.1	37%	0.374	37%	0.37	S	S	.	.			trans	-132.2	57.3	-175	-154.5	170.2	-173.6	168.9	0	112.9	I807 E813 K814	I807-K811 CarbonylContact O-C 3.58Å; I807-K811 VanDerWaalsContact O-C 3.25Å; I807-K811 PolarHBondContact O-N 2.94Å; K811-E813 PolarHBondContact O-N 3.32Å; K811-K814 HydrophobicContact CD-CD 3.88Å; K811-K814 HydrophobicContact CD-CG 4.12Å; K811-K814 HydrophobicContact CG-CB 4.37Å; K811-K814 HydrophobicContact CG-CD 4.44Å; K811-K814 HydrophobicContact CG-CG 4.14Å; K811-K814 PolarHBondContact O-N 3.45Å; K811-K814 VanDerWaalsContact O-N 3.13Å
812	Q	70.4	Confident	73.4	Confident	127 Å²	127	81.6 Å²	81.6	59%	0.593	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-59.6	-28	-176.1	-65.9	-178.2	-3.5	0	0	113.8	K814 N815	Q812-K814 PolarHBondContact O-N 3.49Å; Q812-N815 WeakPolarHBondContact O-CB 3.39Å; Q812-N815 PolarHBondContact O-N 2.86Å
813	E	66.8	Low	72.4	Confident	170 Å²	170	78.8 Å²	78.8	79%	0.794	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.4	177.6	-60.9	176.5	-175.6	0	0	113.1	K811 N815	K811-E813 PolarHBondContact O-N 3.32Å; E813-N815 VanDerWaalsContact C-N 3.33Å
814	K	62.7	Low	71.6	Confident	97 Å²	97	77.7 Å²	77.7	42%	0.422	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-85.9	-1.7	174.9	-69.1	-159.6	170.6	-156.5	0	113.5	K811 Q812 T816	K811-K814 HydrophobicContact CD-CD 3.88Å; K811-K814 HydrophobicContact CD-CG 4.12Å; K811-K814 HydrophobicContact CG-CB 4.37Å; K811-K814 HydrophobicContact CG-CD 4.44Å; K811-K814 HydrophobicContact CG-CG 4.14Å; K811-K814 PolarHBondContact O-N 3.45Å; K811-K814 VanDerWaalsContact O-N 3.13Å; Q812-K814 PolarHBondContact O-N 3.49Å; K814-T816 PolarHBondContact O-N 3.15Å
815	N	65.9	Low	70.7	Confident	25 Å²	25	85.4 Å²	85.4	13%	0.134	41%	0.405	C	S	.	.	S	Bend	trans	-99.8	40.3	-177.8	-166.2	15.5	0	0	0	112.1	P593 V594 Q812 E813	P593-N815 WeakPolarHBondContact CD-OD1 3.47Å; V594-N815 HydrophobicContact CG2-CB 4.47Å; V594-N815 VanDerWaalsContact CG2-OD1 3.27Å; V594-N815 WeakPolarHBondContact CG2-OD1 3.44Å; Q812-N815 WeakPolarHBondContact O-CB 3.39Å; Q812-N815 PolarHBondContact O-N 2.86Å; E813-N815 VanDerWaalsContact C-N 3.33Å
816	T	71	Confident	69.7	Low	64 Å²	64	90.4 Å²	90.4	39%	0.393	43%	0.427	S	S	.	.	S	Bend	trans	-120.9	149.8	178.7	61.6	0	0	0	0	111.1	K814 A818 A819 F820	K814-T816 PolarHBondContact O-N 3.15Å; T816-A818 PolarHBondContact O-N 3.08Å; T816-A819 PolarHBondContact O-N 3.32Å; T816-A819 WeakPolarHBondContact OG1-CB 3.5Å; T816-A819 PolarHBondContact OG1-N 3.44Å; T816-F820 PolarHBondContact O-N 3.34Å
817	E	66.4	Low	68.8	Low	107 Å²	107	87.1 Å²	87.1	50%	0.5	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-31.7	177	-73.3	-165.2	-169.9	0	0	112.6	P593 F820 R821	P593-E817 HydrophobicContact CG-CG 4.11Å; E817-F820 PolarHBondContact O-N 3.2Å; E817-R821 VanDerWaalsContact O-CG 3.32Å; E817-R821 WeakPolarHBondContact O-CG 3.01Å; E817-R821 PolarHBondContact O-N 3.28Å; E817-R821 IonicContact OE2-CZ 3.72Å; E817-R821 IonicContact OE2-NE 3.92Å; E817-R821 IonicContact OE2-NH2 2.84Å; E817-R821 PolarHBondContact OE2-NH2 3.09Å
818	A	64.8	Low	67.9	Low	71 Å²	71	88.6 Å²	88.6	59%	0.587	43%	0.429	S	S	*	.	H	α-helix	trans	-65.9	-46.8	178.7	0	0	0	0	0	111.8	T816 F820 R821 Q822	T816-A818 PolarHBondContact O-N 3.08Å; A818-F820 VanDerWaalsContact C-N 3.31Å; A818-F820 PolarHBondContact O-N 3.09Å; A818-R821 PolarHBondContact O-N 3.24Å; A818-Q822 WeakPolarHBondContact O-CB 3.36Å; A818-Q822 PolarHBondContact O-N 3.44Å
819	A	64.4	Low	66.9	Low	28 Å²	28	96.5 Å²	96.5	23%	0.231	46%	0.46	C	S	.	.	H	α-helix	trans	-60.6	-41.1	175.6	0	0	0	0	0	111.7	T816 Q822 E823	T816-A819 PolarHBondContact O-N 3.32Å; T816-A819 WeakPolarHBondContact OG1-CB 3.5Å; T816-A819 PolarHBondContact OG1-N 3.44Å; A819-Q822 PolarHBondContact O-N 3.34Å; A819-E823 PolarHBondContact O-N 3.46Å
820	F	65.7	Low	65.6	Low	51 Å²	51	94 Å²	94	22%	0.224	46%	0.456	C	S	.	.	H	α-helix	trans	-67.1	-40.3	178.9	-164.4	-97.9	0	0	0	112.9	Y749 T816 E817 A818 V824	Y749-F820 HydrophobicContact CD2-CZ 4.16Å; Y749-F820 HydrophobicContact CE2-CE1 4.06Å; Y749-F820 HydrophobicContact CE2-CE2 4.31Å; Y749-F820 AromaticContact CE2-CZ 3.43Å; Y749-F820 HydrophobicContact CE2-CZ 3.43Å; Y749-F820 VanDerWaalsContact CE2-CZ 3.43Å; T816-F820 PolarHBondContact O-N 3.34Å; E817-F820 PolarHBondContact O-N 3.2Å; A818-F820 VanDerWaalsContact C-N 3.31Å; A818-F820 PolarHBondContact O-N 3.09Å; F820-V824 WeakPolarHBondContact O-CG2 3.46Å; F820-V824 PolarHBondContact O-N 2.84Å
821	R	66.2	Low	64.2	Low	148 Å²	148	89.9 Å²	89.9	56%	0.558	45%	0.446	S	S	*	.	H	α-helix	trans	-73.5	-31.1	178.5	-69.8	-179.1	-163.9	-165.8	8.7	112.8	E817 A818 R825	E817-R821 VanDerWaalsContact O-CG 3.32Å; E817-R821 WeakPolarHBondContact O-CG 3.01Å; E817-R821 PolarHBondContact O-N 3.28Å; E817-R821 IonicContact OE2-CZ 3.72Å; E817-R821 IonicContact OE2-NE 3.92Å; E817-R821 IonicContact OE2-NH2 2.84Å; E817-R821 PolarHBondContact OE2-NH2 3.09Å; A818-R821 PolarHBondContact O-N 3.24Å; R821-R825 WeakPolarHBondContact O-CG 3.28Å; R821-R825 PolarHBondContact O-N 3.07Å
822	Q	66.7	Low	62.9	Low	117 Å²	117	91.4 Å²	91.4	55%	0.547	46%	0.458	S	S	.	.	H	α-helix	trans	-65.8	-46.5	178.8	-176.9	175	-15.4	0	0	111.8	A818 A819 V824 R825 E826	A818-Q822 WeakPolarHBondContact O-CB 3.36Å; A818-Q822 PolarHBondContact O-N 3.44Å; A819-Q822 PolarHBondContact O-N 3.34Å; Q822-V824 PolarHBondContact O-N 3.25Å; Q822-R825 PolarHBondContact O-N 3.42Å; Q822-E826 PolarHBondContact NE2-OE1 3.12Å; Q822-E826 PolarHBondContact O-N 2.84Å
823	E	63.9	Low	61.8	Low	43 Å²	43	95 Å²	95	20%	0.201	47%	0.467	C	S	.	.	H	α-helix	trans	-66.4	-34.8	178.5	-111	168	157.7	0	0	113.2	C748 A819 R825 E826 F827	C748-E823 WeakPolarHBondContact CB-OE2 3.24Å; C748-E823 PolarHBondContact SG-OE2 3.17Å; A819-E823 PolarHBondContact O-N 3.46Å; E823-R825 VanDerWaalsContact C-N 3.33Å; E823-E826 PolarHBondContact O-N 2.7Å; E823-F827 PolarHBondContact O-N 3.03Å; E823-F827 VanDerWaalsContact O-N 3.09Å
824	V	65.3	Low	60.9	Low	46 Å²	46	93.8 Å²	93.8	28%	0.279	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-40.2	174.1	173.6	0	0	0	0	110.7	F820 Q822 F827 S828	F820-V824 WeakPolarHBondContact O-CG2 3.46Å; F820-V824 PolarHBondContact O-N 2.84Å; Q822-V824 PolarHBondContact O-N 3.25Å; V824-F827 PolarHBondContact O-N 3.22Å; V824-S828 PolarHBondContact O-N 2.92Å; V824-S828 VanDerWaalsContact O-N 3.12Å; V824-S828 PolarHBondContact O-OG 3.03Å
825	R	63	Low	60.2	Low	172 Å²	172	94.9 Å²	94.9	65%	0.649	48%	0.48	S	S	*	.	H	α-helix	trans	-65.2	-45	175.1	-74.7	-179.8	-172.7	172.1	1.2	111.8	R821 Q822 E823 F827 S828 Y829	R821-R825 WeakPolarHBondContact O-CG 3.28Å; R821-R825 PolarHBondContact O-N 3.07Å; Q822-R825 PolarHBondContact O-N 3.42Å; E823-R825 VanDerWaalsContact C-N 3.33Å; R825-F827 PolarHBondContact O-N 3.24Å; R825-S828 PolarHBondContact O-N 2.7Å; R825-Y829 VanDerWaalsContact O-CD2 3.26Å; R825-Y829 WeakPolarHBondContact O-CD2 3.49Å; R825-Y829 PolarHBondContact O-N 3.04Å
826	E	64.1	Low	59.1	Low	119 Å²	119	102.9 Å²	102.9	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-58.7	-36.5	177.5	-76.3	175.5	-170.7	0	0	112.3	Q822 E823 G830	Q822-E826 PolarHBondContact NE2-OE1 3.12Å; Q822-E826 PolarHBondContact O-N 2.84Å; E823-E826 PolarHBondContact O-N 2.7Å; E826-G830 PolarHBondContact O-N 3.01Å; E826-G830 VanDerWaalsContact O-N 3.15Å
827	F	62.2	Low	57.4	Low	70 Å²	70	106.3 Å²	106.3	31%	0.307	57%	0.565	S	S	.	*	H	α-helix	trans	-69.1	-45.1	175	-176.2	-104.9	0	0	0	113.6	L745 P746 E823 V824 R825 Y829 G830 S831	L745-F827 HydrophobicContact CD2-CE1 4.39Å; L745-F827 HydrophobicContact CD2-CZ 4.34Å; P746-F827 HydrophobicContact CB-CB 3.69Å; P746-F827 HydrophobicContact CB-CD1 4.43Å; P746-F827 HydrophobicContact CB-CD2 3.51Å; P746-F827 HydrophobicContact CB-CE2 4.24Å; P746-F827 HydrophobicContact CB-CG 3.61Å; P746-F827 HydrophobicContact CG-CB 3.7Å; P746-F827 HydrophobicContact CG-CD1 3.77Å; P746-F827 HydrophobicContact CG-CD2 3.73Å; P746-F827 HydrophobicContact CG-CE1 4.33Å; P746-F827 HydrophobicContact CG-CE2 4.28Å; P746-F827 HydrophobicContact CG-CG 3.44Å; P746-F827 VanDerWaalsContact CG-CG 3.44Å; E823-F827 PolarHBondContact O-N 3.03Å; E823-F827 VanDerWaalsContact O-N 3.09Å; V824-F827 PolarHBondContact O-N 3.22Å; R825-F827 PolarHBondContact O-N 3.24Å; F827-Y829 VanDerWaalsContact C-N 3.31Å; F827-Y829 PolarHBondContact O-N 3.27Å; F827-G830 PolarHBondContact O-N 3.44Å; F827-S831 PolarHBondContact O-N 3.05Å
828	S	60.6	Low	56.9	Low	70 Å²	70	106.3 Å²	106.3	49%	0.49	57%	0.568	S	S	.	*	H	α-helix	trans	-60.4	-40.1	177.3	-62.9	0	0	0	0	112	V824 R825	V824-S828 PolarHBondContact O-N 2.92Å; V824-S828 VanDerWaalsContact O-N 3.12Å; V824-S828 PolarHBondContact O-OG 3.03Å; R825-S828 PolarHBondContact O-N 2.7Å
829	Y	59.2	Low	56.5	Low	171 Å²	171	108.2 Å²	108.2	67%	0.671	57%	0.567	S	S	*	*	H	α-helix	trans	-73.2	-23	176.6	-82.1	-70.4	0	0	0	114.3	R825 F827	R825-Y829 VanDerWaalsContact O-CD2 3.26Å; R825-Y829 WeakPolarHBondContact O-CD2 3.49Å; R825-Y829 PolarHBondContact O-N 3.04Å; F827-Y829 VanDerWaalsContact C-N 3.31Å; F827-Y829 PolarHBondContact O-N 3.27Å
830	G	54.3	Low	56.1	Low	36 Å²	36	112.6 Å²	112.6	37%	0.371	59%	0.586	S	S	.	*	H	α-helix	trans	-74.8	-33.7	174.8	0	0	0	0	0	113.2	E826 F827 R833	E826-G830 PolarHBondContact O-N 3.01Å; E826-G830 VanDerWaalsContact O-N 3.15Å; F827-G830 PolarHBondContact O-N 3.44Å; G830-R833 PolarHBondContact O-N 3.09Å
831	S	49.6	Very low	55.5	Low	70 Å²	70	116.2 Å²	116.2	49%	0.49	61%	0.607	S	S	.	*	H	α-helix	trans	-71.5	-26.2	-179.3	-172.5	0	0	0	0	114.1	F827 R833	F827-S831 PolarHBondContact O-N 3.05Å; S831-R833 VanDerWaalsContact C-N 3.33Å
832	D	47.4	Very low	54.8	Low	118 Å²	118	114.3 Å²	114.3	63%	0.631	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-18	177.8	-83.7	-23.9	0	0	0	112.9
833	R	47.9	Very low	54	Low	203 Å²	203	114.1 Å²	114.1	77%	0.766	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-20.5	177.5	-67.3	-171.9	-164.5	-179.7	4	113.9	G830 S831 V835	G830-R833 PolarHBondContact O-N 3.09Å; S831-R833 VanDerWaalsContact C-N 3.33Å; R833-V835 VanDerWaalsContact C-N 3.31Å
834	D	47.8	Very low	53.3	Low	143 Å²	143	119.1 Å²	119.1	77%	0.765	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	1.9	179.4	-71.9	-20.9	0	0	0	113
835	V	47.3	Very low	52.4	Low	121 Å²	121	124.8 Å²	124.8	73%	0.733	67%	0.672	S	S	*	*	S	Bend	trans	-109.4	-9.6	179.3	-176.9	0	0	0	0	113.1	R833	R833-V835 VanDerWaalsContact C-N 3.31Å
836	E	42.8	Very low	51.5	Low	193 Å²	193	120.8 Å²	120.8	90%	0.902	67%	0.674	S	S	*	*			trans	-117.3	28	171.4	-75.3	-169.1	155.5	0	0	113.5
837	G	35.4	Very low	50.4	Low	136 Å²	136	121 Å²	121	100%	1.402	68%	0.684	S	S	*	*			trans	-116.4	0	174.5	0	0	0	0	0	113.5

Retrieved 837 of 837 residues in 2609 ms (Link to these results)

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