A0A087XMN5_POEFO Loading...

Hyperpolarization activated cyclic nucleotide gated potassium channel 1

AlphaFold DB , UniProt , Accession A0A087XMN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 927 aa.

						>A0A087XMN5_POEFO|A0A087XMN5
MEDKSNSFSGNKEEKADGNNVFQRQDSIQKNNTGSQNTKDHGNSVGFKGEREEAMVGFDDLDGASRQHGFMQRQFGAMMQPGVNKFSLRMFGSQKAVEKEQERVQTAGYWIIHPYSDFRFYWDLIMLIMMMGNLIIIPVGITFFSEQTTTTWLVFNVASDTIFLVDLVMNFRTGIVNEESSEIILDPKVIKMNYLKSWFVVDFLSSIPVDYIFLIVEKGFDSEVYKTARALRIVRFTKILSLLRLLRLSRLIRYIHQWEEIFHMTYDLASAVVRIFNLIGMMLLLCHWDGCLQYLVPLLQDFPPDCWVSLNGMVNVSWGKQYSYALFKAMSHMLCIGYGARAPVSMSDLWITMLSMIVGATCYAMFVGHATALIQSLDSSRRQYQEKYKQVEQYMSFHKLPADMRQKIHDYYEHRYQGKIFDEDNILSELNDPLKEEIVNFNCRKLVATMPLFANADPNFVTGMLSKLKFEVFQPNDYIIREGTVGKKMYFIQHGVVSVITKFNKEMKLTDGSYFGEICLLTKGRRTASVRADTYCRLFSLSVDHFNEVLEEYPMMRRAFETVAIDRLDRIGKKNSLLLQKFQKDLNAGVFNTQENEILKQIIRQDREMVMMVDRKQSVTGMNSTPMSGNSIINSPAQPPYSTAFGAAQLQQSSVPMTYSASAIANASVARMLPVAAAAAAAAQGGFPTSSLSQVNLNSSSQTALQQGAIMSPCSFTAAMCSPPVQTPLASRSFQYGSPTASQLSLIQQPIGQPSLPTQQQQQLGQQPAASTAAAASAAQQQVPSPQRGDIHKSTQALQSGSLSRDVRHLSASQPSLPHDTPLGPRAHPASGESLASMVPPMAAAIQGISLQGGIRTTVPQRVSLFRQMSSGALPPVRSAASAAAAVAAASSSSSSTQHRESPGSRRDSVLSSTETEQDKMRFASNL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	30.5	Very low	214 Å²	214	141.3 Å²	141.3	100%	1.054	78%	0.781	S	S	*	*				0	86.8	0	-66.5	175.1	-177.9	0	0	108.2
2	E	31	Very low	30.4	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	79%	0.786	S	S	*	*			cis	58.5	135.9	24.5	-48.8	159.5	114.3	0	0	111.3
3	D	32.8	Very low	30.6	Very low	114 Å²	114	147.5 Å²	147.5	61%	0.61	79%	0.787	S	S	*	*			cis	-162.2	172	5.9	-146.3	-11.9	0	0	0	112.6
4	K	32.1	Very low	30.6	Very low	166 Å²	166	147.4 Å²	147.4	72%	0.722	78%	0.78	S	S	*	*			trans	63.6	160.5	153.2	-71.4	167.7	-178.1	79.1	0	118.2
5	S	32.2	Very low	30.6	Very low	86 Å²	86	149.6 Å²	149.6	60%	0.601	78%	0.78	S	S	*	*			cis	-175.7	145.5	-31.5	56.6	0	0	0	0	110.2
6	N	32.7	Very low	30.7	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	78%	0.777	S	S	*	*			trans	61.4	152	145.6	-69.2	-1.4	0	0	0	119.9
7	S	28.8	Very low	30.6	Very low	96 Å²	96	147.6 Å²	147.6	67%	0.671	79%	0.787	S	S	*	*			cis	-169.4	164.6	-10.5	48.5	0	0	0	0	110.8
8	F	27.3	Very low	30.5	Very low	201 Å²	201	143.4 Å²	143.4	88%	0.882	78%	0.784	S	S	*	*			trans	29.5	141	141.1	-87.8	-120.5	0	0	0	120.1
9	S	29.4	Very low	30.6	Very low	116 Å²	116	144.6 Å²	144.6	81%	0.811	79%	0.79	S	S	*	*			cis	-170.8	171.3	23.7	46.1	0	0	0	0	112.5
10	G	26.7	Very low	30.6	Very low	72 Å²	72	145.2 Å²	145.2	74%	0.742	79%	0.792	S	S	*	*			trans	157.5	101.5	162.1	0	0	0	0	0	115.5
11	N	29.4	Very low	30.5	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	79%	0.792	S	S	*	*			trans	-98.2	140.8	176.3	-67.1	-6.7	0	0	0	111.9
12	K	28.8	Very low	30.2	Very low	192 Å²	192	144 Å²	144	84%	0.835	78%	0.784	S	S	*	*				-174.2	166.3	108.2	-108.2	-172.4	172	-169.6	0	115.3
13	E	33.1	Very low	30.2	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.804	79%	0.786	S	S	*	*			trans	-71.8	174.3	179.2	-66	140.6	119.5	0	0	112
14	E	30.3	Very low	30	Very low	146 Å²	146	150.8 Å²	150.8	68%	0.682	80%	0.802	S	S	*	*			cis	-166.6	140.4	47	-179.3	-179.4	172.5	0	0	115.3
15	K	31.1	Very low	29.8	Very low	180 Å²	180	151.3 Å²	151.3	78%	0.783	81%	0.807	S	S	*	*			trans	56.5	162.1	159.7	-75	169.9	-173.2	151.3	0	120.7
16	A	31.5	Very low	29.7	Very low	89 Å²	89	154.2 Å²	154.2	74%	0.736	82%	0.816	S	S	*	*			cis	-179.3	128.2	-41.3	0	0	0	0	0	107.3
17	D	30	Very low	29.6	Very low	177 Å²	177	151.7 Å²	151.7	95%	0.947	81%	0.81	S	S	*	*			trans	-140	149.2	170.4	-124.3	-35.4	0	0	0	110.4
18	G	29.2	Very low	29.6	Very low	72 Å²	72	153.9 Å²	153.9	74%	0.742	81%	0.813	S	S	*	*			trans	-100.2	144.7	-166.7	0	0	0	0	0	114.3
19	N	32	Very low	29.7	Very low	166 Å²	166	151.3 Å²	151.3	89%	0.888	80%	0.804	S	S	*	*			trans	-149.4	143.2	160.6	-149.3	-11.7	0	0	0	110.8
20	N	29.5	Very low	29.7	Very low	155 Å²	155	153.9 Å²	153.9	83%	0.829	80%	0.8	S	S	*	*			trans	-122.2	107.2	-164.1	-115.7	-22.3	0	0	0	112.2
21	V	28.7	Very low	29.7	Very low	132 Å²	132	158.6 Å²	158.6	80%	0.8	81%	0.808	S	S	*	*			trans	-143.5	125.2	162.4	178.5	0	0	0	0	107.5
22	F	28.4	Very low	29.7	Very low	202 Å²	202	157.8 Å²	157.8	89%	0.886	80%	0.804	S	S	*	*			trans	-147.5	133.7	168.7	-118.9	-85.7	0	0	0	112.1
23	Q	31.4	Very low	29.7	Very low	178 Å²	178	155.2 Å²	155.2	83%	0.832	81%	0.805	S	S	*	*			trans	-67.5	169.9	160.6	-64.1	167	-65.2	0	0	109.8
24	R	27.3	Very low	29.3	Very low	251 Å²	251	150.9 Å²	150.9	95%	0.947	81%	0.806	S	S	*	*			trans	-144.7	163.2	145.4	-130.5	174.3	-177.9	166.6	2.5	113.1
25	Q	28.4	Very low	29.2	Very low	178 Å²	178	148.7 Å²	148.7	83%	0.832	81%	0.807	S	S	*	*			trans	-144.6	153.2	-163.3	-172.4	175.8	15.4	0	0	106.9
26	D	30.4	Very low	29.1	Very low	147 Å²	147	148.3 Å²	148.3	79%	0.786	81%	0.808	S	S	*	*			trans	-64.8	152	-172.9	-53.1	-84.6	0	0	0	114.2
27	S	29.1	Very low	29	Very low	103 Å²	103	151 Å²	151	72%	0.72	81%	0.81	S	S	*	*				156.9	122	124.8	-74	0	0	0	0	117.1
28	I	30.4	Very low	28.9	Very low	143 Å²	143	149.6 Å²	149.6	73%	0.733	81%	0.808	S	S	*	*				80.8	122.4	122.6	-64.4	175.1	0	0	0	122.7
29	Q	29.1	Very low	29	Very low	147 Å²	147	154.4 Å²	154.4	69%	0.687	81%	0.808	S	S	*	*			trans	91.7	125.3	144.6	-85.3	176.5	51.9	0	0	126.2
30	K	30	Very low	28.7	Very low	169 Å²	169	153.7 Å²	153.7	74%	0.735	80%	0.804	S	S	*	*			trans	57.9	121.8	135.4	-73.5	169.9	-175.7	159.1	0	121.8
31	N	26.6	Very low	28.7	Very low	172 Å²	172	155.2 Å²	155.2	92%	0.92	81%	0.806	S	S	*	*				-153.7	179.1	103.2	-116.3	-21.9	0	0	0	112.4
32	N	28.3	Very low	28.6	Very low	142 Å²	142	152.7 Å²	152.7	76%	0.759	81%	0.806	S	S	*	*			trans	-141.7	142.9	-165.4	177.8	29.9	0	0	0	113
33	T	28	Very low	28.7	Very low	139 Å²	139	150.7 Å²	150.7	85%	0.853	81%	0.805	S	S	*	*			trans	154.7	159.7	151.2	36.2	0	0	0	0	112.1
34	G	26.3	Very low	28.5	Very low	81 Å²	81	148.1 Å²	148.1	84%	0.835	81%	0.807	S	S	*	*			trans	136.1	95.5	156.7	0	0	0	0	0	117.8
35	S	27.8	Very low	28.7	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	80%	0.795	S	S	*	*			trans	-65.9	155.9	-174.4	-154.7	0	0	0	0	118.7
36	Q	29.5	Very low	28.6	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	79%	0.786	S	S	*	*			trans	57.7	109.7	140.8	-78.4	159.9	-25.2	0	0	123.6
37	N	29.7	Very low	28.5	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	79%	0.789	S	S	*	*				51	116.6	107.2	-151.6	31.5	0	0	0	121.4
38	T	27.9	Very low	28.5	Very low	146 Å²	146	140.5 Å²	140.5	90%	0.896	79%	0.786	S	S	*	*			trans	-150.9	158.3	151.4	11.1	0	0	0	0	111
39	K	29.8	Very low	28.2	Very low	174 Å²	174	137.1 Å²	137.1	76%	0.757	79%	0.786	S	S	*	*			trans	-112.5	159.6	178.6	-59.2	178.2	177.6	-179.6	0	111
40	D	26.3	Very low	28.2	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	78%	0.784	S	S	*	*				-179.2	175.8	102.6	-93.7	-21.2	0	0	0	113.5
41	H	28.7	Very low	28	Very low	188 Å²	188	140.5 Å²	140.5	87%	0.87	79%	0.793	S	S	*	*			trans	-98.6	162.8	-166.8	-62.9	-62.6	0	0	0	114.9
42	G	28.3	Very low	28.1	Very low	78 Å²	78	141 Å²	141	80%	0.804	79%	0.79	S	S	*	*			trans	-172.7	103.8	167.7	0	0	0	0	0	114.5
43	N	28.9	Very low	28.2	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	79%	0.793	S	S	*	*			trans	-52.8	157.2	-174	-78.8	-3.5	0	0	0	117.9
44	S	27.1	Very low	28.2	Very low	125 Å²	125	140.7 Å²	140.7	87%	0.874	79%	0.792	S	S	*	*			trans	-140.1	147.2	146	-176.2	0	0	0	0	110.2
45	V	31.6	Very low	28.3	Very low	114 Å²	114	144.5 Å²	144.5	69%	0.691	79%	0.79	S	S	*	*			trans	-142.9	118.3	-175	176.9	0	0	0	0	112.7
46	G	26.3	Very low	28.4	Very low	63 Å²	63	146.5 Å²	146.5	65%	0.649	80%	0.797	S	S	*	*			trans	71.3	169	143.8	0	0	0	0	0	119.9
47	F	28	Very low	28.5	Very low	192 Å²	192	140.8 Å²	140.8	84%	0.842	79%	0.785	S	S	*	*			cis	-174.7	158.7	-15.1	-101.4	-44.9	0	0	0	108
48	K	29.6	Very low	28.6	Very low	150 Å²	150	141.2 Å²	141.2	65%	0.652	78%	0.78	S	S	*	*			cis	-151.9	162.9	-10.2	-166.3	-166.2	176	-158.4	0	106.2	E50	K48-E50 HydrophobicContact CD-CG 3.8Å; K48-E50 WeakPolarHBondContact CD-OE1 3.32Å; K48-E50 WeakPolarHBondContact CE-OE1 3.29Å; K48-E50 HydrophobicContact CG-CG 3.9Å; K48-E50 IonicContact NZ-OE1 3.48Å; K48-E50 PolarHBondContact NZ-OE1 2.81Å
49	G	24.5	Very low	28.7	Very low	71 Å²	71	142.2 Å²	142.2	73%	0.732	78%	0.78	S	S	*	*			trans	169.7	43.7	176.9	0	0	0	0	0	114.3
50	E	29	Very low	28.9	Very low	139 Å²	139	141.1 Å²	141.1	65%	0.65	78%	0.782	S	S	*	*				80.3	97.2	95.7	-70.5	-164.8	157	0	0	115.2	K48	K48-E50 HydrophobicContact CD-CG 3.8Å; K48-E50 WeakPolarHBondContact CD-OE1 3.32Å; K48-E50 WeakPolarHBondContact CE-OE1 3.29Å; K48-E50 HydrophobicContact CG-CG 3.9Å; K48-E50 IonicContact NZ-OE1 3.48Å; K48-E50 PolarHBondContact NZ-OE1 2.81Å
51	R	26.5	Very low	29.4	Very low	248 Å²	248	139.4 Å²	139.4	94%	0.936	77%	0.773	S	S	*	*			trans	-141.7	123.8	144.8	-139	177.6	-162.8	171.5	5.8	106
52	E	29.1	Very low	29.8	Very low	182 Å²	182	136.7 Å²	136.7	85%	0.85	77%	0.765	S	S	*	*			trans	-82.6	134	-170.5	-67.5	-176.9	122.7	0	0	112.3
53	E	30.3	Very low	29.9	Very low	175 Å²	175	136.5 Å²	136.5	82%	0.818	76%	0.762	S	S	*	*			trans	-94	140.9	160.7	-64.6	-177.9	133.8	0	0	109.1
54	A	27.1	Very low	30.3	Very low	101 Å²	101	132.3 Å²	132.3	84%	0.835	75%	0.75	S	S	*	*			trans	-108.3	56.7	167.8	0	0	0	0	0	110	V56	A54-V56 PolarHBondContact O-N 3.12Å; A54-V56 VanDerWaalsContact O-N 3.11Å
55	M	27.8	Very low	31	Very low	160 Å²	160	129 Å²	129	79%	0.788	73%	0.727	S	S	*	*			trans	-77.3	93.8	177.3	-172.4	173.2	-178.3	0	0	110.3
56	V	30.7	Very low	31.6	Very low	141 Å²	141	134 Å²	134	86%	0.855	73%	0.733	S	S	*	*			trans	-93.6	125.5	165.4	-177.3	0	0	0	0	107.6	A54	A54-V56 PolarHBondContact O-N 3.12Å; A54-V56 VanDerWaalsContact O-N 3.11Å
57	G	31.9	Very low	32.4	Very low	52 Å²	52	139.7 Å²	139.7	54%	0.536	74%	0.743	S	S	.	*			trans	-72.5	162.9	-157.8	0	0	0	0	0	116.8
58	F	31.2	Very low	33.6	Very low	156 Å²	156	135.3 Å²	135.3	68%	0.684	73%	0.725	S	S	*	*			trans	-145.7	52.5	169.3	-142.3	-56.1	0	0	0	111.9	D60 L61	F58-D60 PolarHBondContact O-N 3.42Å; F58-L61 HydrophobicContact CD1-CB 4.23Å; F58-L61 HydrophobicContact CD1-CD1 3.99Å; F58-L61 HydrophobicContact CD1-CG 4.19Å; F58-L61 HydrophobicContact CE1-CB 4.16Å; F58-L61 HydrophobicContact CE1-CD1 3.55Å; F58-L61 HydrophobicContact CE1-CG 3.67Å; F58-L61 HydrophobicContact CZ-CD1 4.05Å; F58-L61 HydrophobicContact CZ-CG 4.48Å
59	D	30	Very low	35.6	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	72%	0.715	S	S	*	*			trans	-77.3	25	176.8	-71.4	-53.1	0	0	0	113.9
60	D	34.2	Very low	38.2	Very low	152 Å²	152	134 Å²	134	81%	0.813	71%	0.712	S	S	*	*	S	Bend	trans	-131.8	29.1	-166.8	-128.8	-17.9	0	0	0	113.8	F58	F58-D60 PolarHBondContact O-N 3.42Å
61	L	37.2	Very low	40.4	Very low	114 Å²	114	134.2 Å²	134.2	60%	0.597	72%	0.715	S	S	*	*	S	Bend	trans	-120.6	-22.5	174.7	-106.7	170.7	0	0	0	115	F58 G63 A64	F58-L61 HydrophobicContact CD1-CB 4.23Å; F58-L61 HydrophobicContact CD1-CD1 3.99Å; F58-L61 HydrophobicContact CD1-CG 4.19Å; F58-L61 HydrophobicContact CE1-CB 4.16Å; F58-L61 HydrophobicContact CE1-CD1 3.55Å; F58-L61 HydrophobicContact CE1-CG 3.67Å; F58-L61 HydrophobicContact CZ-CD1 4.05Å; F58-L61 HydrophobicContact CZ-CG 4.48Å; L61-G63 PolarHBondContact O-N 2.82Å; L61-G63 VanDerWaalsContact O-N 3.16Å; L61-A64 PolarHBondContact O-N 3.23Å
62	D	36.3	Very low	42.8	Very low	131 Å²	131	126.1 Å²	126.1	70%	0.701	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-4.2	-174.5	-117.5	-22.1	0	0	0	114.6	A64 S65	D62-A64 VanDerWaalsContact C-N 3.33Å; D62-S65 PolarHBondContact O-OG 2.81Å; D62-S65 PolarHBondContact OD1-OG 3.41Å
63	G	30.5	Very low	45.3	Very low	73 Å²	73	124.6 Å²	124.6	75%	0.753	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-28.9	170.2	0	0	0	0	0	113.7	L61	L61-G63 PolarHBondContact O-N 2.82Å; L61-G63 VanDerWaalsContact O-N 3.16Å
64	A	36.7	Very low	47.9	Very low	73 Å²	73	121.2 Å²	121.2	60%	0.603	66%	0.658	S	S	*	*	S	Bend	trans	-84.6	-28.1	-171.6	0	0	0	0	0	114.2	L61 D62 R66	L61-A64 PolarHBondContact O-N 3.23Å; D62-A64 VanDerWaalsContact C-N 3.33Å; A64-R66 VanDerWaalsContact C-N 3.26Å; A64-R66 PolarHBondContact O-N 3.37Å
65	S	42.9	Very low	50.5	Low	55 Å²	55	120.1 Å²	120.1	39%	0.385	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-69.8	-17.8	-170.3	64.7	0	0	0	0	114.4	D62 Q67 R73	D62-S65 PolarHBondContact O-OG 2.81Å; D62-S65 PolarHBondContact OD1-OG 3.41Å; S65-Q67 PolarHBondContact O-N 3.09Å; S65-R73 PolarHBondContact O-NH2 3.26Å
66	R	43.6	Very low	53.2	Low	218 Å²	218	113.9 Å²	113.9	82%	0.823	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-80	-9.5	-173.3	-66.3	-173.3	176.9	-166.5	-0.9	115.3	A64	A64-R66 VanDerWaalsContact C-N 3.26Å; A64-R66 PolarHBondContact O-N 3.37Å
67	Q	43.8	Very low	55.9	Low	184 Å²	184	110.1 Å²	110.1	86%	0.86	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-95.4	-3.4	-178.3	-81.7	-171.8	-18.2	0	0	116.1	S65 G69	S65-Q67 PolarHBondContact O-N 3.09Å; Q67-G69 PolarHBondContact O-N 2.68Å
68	H	53.7	Low	58.6	Low	99 Å²	99	110.9 Å²	110.9	46%	0.458	59%	0.586	S	S	.	*			trans	-71.7	101.1	171.2	-74.9	-54.9	0	0	0	111.5	Q72 R73	H68-Q72 VanDerWaalsContact ND1-CD 3.27Å; H68-Q72 PolarHBondContact ND1-NE2 2.73Å; H68-Q72 PolarHBondContact ND1-OE1 3.38Å; H68-R73 PolarHBondContact O-NE 2.99Å
69	G	71.8	Confident	61.5	Low	44 Å²	44	103.9 Å²	103.9	45%	0.454	56%	0.555	S	S	.	*			trans	-59	154.4	-179.6	0	0	0	0	0	113.8	Q67 M71 Q72 R73	Q67-G69 PolarHBondContact O-N 2.68Å; G69-M71 VanDerWaalsContact C-N 3.3Å; G69-M71 PolarHBondContact O-N 3.14Å; G69-M71 VanDerWaalsContact O-N 3.15Å; G69-Q72 WeakPolarHBondContact O-CB 3.47Å; G69-Q72 PolarHBondContact O-N 2.89Å; G69-R73 PolarHBondContact O-N 3.32Å
70	F	77.3	Confident	64.4	Low	150 Å²	150	97.3 Å²	97.3	66%	0.658	52%	0.519	S	S	*	.	H	α-helix	trans	-47.3	-46.6	-173.2	180	-101	0	0	0	114	Q72 R73 Q74	F70-Q72 VanDerWaalsContact C-N 3.3Å; F70-Q72 PolarHBondContact O-N 2.73Å; F70-R73 PolarHBondContact O-N 3.17Å; F70-R73 VanDerWaalsContact O-N 3.14Å; F70-Q74 HydrophobicContact CD1-CG 4.37Å; F70-Q74 HydrophobicContact CE1-CG 4.02Å; F70-Q74 HydrophobicContact CZ-CG 4.13Å; F70-Q74 PolarHBondContact O-N 2.98Å
71	M	75.4	Confident	67.1	Low	144 Å²	144	90.1 Å²	90.1	71%	0.709	48%	0.48	S	S	*	.	H	α-helix	trans	-56.6	-39.1	177.2	-66.2	-61.7	-64.9	0	0	113.4	G69 Q74 F75	G69-M71 VanDerWaalsContact C-N 3.3Å; G69-M71 PolarHBondContact O-N 3.14Å; G69-M71 VanDerWaalsContact O-N 3.15Å; M71-Q74 PolarHBondContact O-N 3.5Å; M71-F75 WeakPolarHBondContact O-CB 3.09Å; M71-F75 PolarHBondContact O-N 3.43Å
72	Q	78.2	Confident	69.6	Low	78 Å²	78	85.3 Å²	85.3	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-72.1	-32.4	-179.3	-169.3	173.8	9.1	0	0	111.6	H68 G69 F70 G76 W110	H68-Q72 VanDerWaalsContact ND1-CD 3.27Å; H68-Q72 PolarHBondContact ND1-NE2 2.73Å; H68-Q72 PolarHBondContact ND1-OE1 3.38Å; G69-Q72 WeakPolarHBondContact O-CB 3.47Å; G69-Q72 PolarHBondContact O-N 2.89Å; F70-Q72 VanDerWaalsContact C-N 3.3Å; F70-Q72 PolarHBondContact O-N 2.73Å; Q72-G76 PolarHBondContact O-N 3Å; Q72-W110 HydrophobicContact CG-CH2 4.3Å; Q72-W110 HydrophobicContact CG-CZ2 4.38Å
73	R	80.6	Confident	72.2	Confident	150 Å²	150	82.4 Å²	82.4	57%	0.566	45%	0.446	S	S	*	.	H	α-helix	trans	-69.1	-43	173.1	-60.1	-177	-176.5	-157.7	-9.1	111.2	S65 H68 G69 F70 G76 A77	S65-R73 PolarHBondContact O-NH2 3.26Å; H68-R73 PolarHBondContact O-NE 2.99Å; G69-R73 PolarHBondContact O-N 3.32Å; F70-R73 PolarHBondContact O-N 3.17Å; F70-R73 VanDerWaalsContact O-N 3.14Å; R73-G76 PolarHBondContact O-N 2.97Å; R73-A77 WeakPolarHBondContact O-CB 3.31Å; R73-A77 PolarHBondContact O-N 3.12Å
74	Q	84.2	Confident	74.9	Confident	103 Å²	103	81.5 Å²	81.5	48%	0.481	42%	0.423	S	S	.	.	H	α-helix	trans	-61.9	-46.8	174.2	-70.8	-170.2	-58.8	0	0	112.3	F70 M71 A77 M78	F70-Q74 HydrophobicContact CD1-CG 4.37Å; F70-Q74 HydrophobicContact CE1-CG 4.02Å; F70-Q74 HydrophobicContact CZ-CG 4.13Å; F70-Q74 PolarHBondContact O-N 2.98Å; M71-Q74 PolarHBondContact O-N 3.5Å; Q74-A77 PolarHBondContact O-N 3.43Å; Q74-M78 PolarHBondContact O-N 3.08Å
75	F	82.9	Confident	77.3	Confident	78 Å²	78	84.9 Å²	84.9	34%	0.342	42%	0.424	S	S	.	.	H	α-helix	trans	-65.5	-41.2	178.5	-160.6	-79.1	0	0	0	111.7	M71 A77 M78 M79 W110 F118	M71-F75 WeakPolarHBondContact O-CB 3.09Å; M71-F75 PolarHBondContact O-N 3.43Å; F75-A77 VanDerWaalsContact C-N 3.28Å; F75-A77 PolarHBondContact O-N 3.05Å; F75-M78 PolarHBondContact O-N 3.45Å; F75-M79 HydrophobicContact CD1-CG 3.91Å; F75-M79 HydrophobicContact CD1-SD 4.29Å; F75-M79 HydrophobicContact CE1-CE 4.46Å; F75-M79 HydrophobicContact CE1-CG 3.9Å; F75-M79 HydrophobicContact CE1-SD 3.67Å; F75-M79 WeakPolarHBondContact O-CG 3.47Å; F75-M79 PolarHBondContact O-N 2.66Å; F75-W110 HydrophobicContact CD1-CE3 4.21Å; F75-W110 AromaticContact CD1-CZ3 3.57Å; F75-W110 HydrophobicContact CD1-CZ3 3.57Å; F75-W110 HydrophobicContact CE1-CE3 4.24Å; F75-W110 AromaticContact CE1-CZ3 3.85Å; F75-W110 HydrophobicContact CE1-CZ3 3.85Å; F75-W110 HydrophobicContact CG-CZ3 4.42Å; F75-F118 HydrophobicContact CE1-CD2 4.37Å; F75-F118 HydrophobicContact CE1-CE2 4.31Å; F75-F118 HydrophobicContact CE2-CD2 4.16Å; F75-F118 AromaticContact CE2-CE2 3.88Å; F75-F118 HydrophobicContact CE2-CE2 3.88Å; F75-F118 AromaticContact CZ-CD2 3.8Å; F75-F118 HydrophobicContact CZ-CD2 3.8Å; F75-F118 AromaticContact CZ-CE2 3.43Å; F75-F118 HydrophobicContact CZ-CE2 3.43Å; F75-F118 VanDerWaalsContact CZ-CE2 3.43Å; F75-F118 HydrophobicContact CZ-CZ 4.1Å
76	G	84.5	Confident	79.2	Confident	30 Å²	30	83.8 Å²	83.8	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-32.3	174.5	0	0	0	0	0	113.7	Q72 R73 Q80	Q72-G76 PolarHBondContact O-N 3Å; R73-G76 PolarHBondContact O-N 2.97Å; G76-Q80 PolarHBondContact O-NE2 3.46Å
77	A	86.6	Confident	81.2	Confident	61 Å²	61	73.4 Å²	73.4	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-72	-41.4	172	0	0	0	0	0	112.1	R73 Q74 F75 M79 Q80	R73-A77 WeakPolarHBondContact O-CB 3.31Å; R73-A77 PolarHBondContact O-N 3.12Å; Q74-A77 PolarHBondContact O-N 3.43Å; F75-A77 VanDerWaalsContact C-N 3.28Å; F75-A77 PolarHBondContact O-N 3.05Å; A77-M79 PolarHBondContact O-N 3.05Å; A77-Q80 WeakPolarHBondContact O-CB 3.41Å; A77-Q80 PolarHBondContact O-N 3.13Å; A77-Q80 VanDerWaalsContact O-N 3.09Å
78	M	90.1	Very high	83.4	Confident	69 Å²	69	68 Å²	68	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-23.8	180	-157.4	-169.4	-178.9	0	0	113.4	Q74 F75 Q80 S116 D117 F118 Y121	Q74-M78 PolarHBondContact O-N 3.08Å; F75-M78 PolarHBondContact O-N 3.45Å; M78-Q80 VanDerWaalsContact C-N 3.34Å; M78-S116 WeakPolarHBondContact O-CB 3.46Å; M78-D117 HydrophobicContact CG-CB 4.5Å; M78-F118 HydrophobicContact CB-CB 4.28Å; M78-F118 HydrophobicContact CG-CB 3.87Å; M78-F118 WeakPolarHBondContact O-CB 3.47Å; M78-F118 PolarHBondContact O-N 2.98Å; M78-F118 HydrophobicContact SD-CB 4.14Å; M78-F118 HydrophobicContact SD-CD2 4Å; M78-Y121 HydrophobicContact CE-CD2 3.67Å; M78-Y121 HydrophobicContact CE-CE2 4.39Å; M78-Y121 HydrophobicContact CE-CG 4.5Å
79	M	90.1	Very high	84.9	Confident	9 Å²	9	70.7 Å²	70.7	4%	0.044	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.6	178.8	-62.1	-92.9	-75.2	0	0	113.8	F75 A77 W110 I112 H113 S116 F118	F75-M79 HydrophobicContact CD1-CG 3.91Å; F75-M79 HydrophobicContact CD1-SD 4.29Å; F75-M79 HydrophobicContact CE1-CE 4.46Å; F75-M79 HydrophobicContact CE1-CG 3.9Å; F75-M79 HydrophobicContact CE1-SD 3.67Å; F75-M79 WeakPolarHBondContact O-CG 3.47Å; F75-M79 PolarHBondContact O-N 2.66Å; A77-M79 PolarHBondContact O-N 3.05Å; M79-W110 HydrophobicContact CE-CB 4.41Å; M79-W110 HydrophobicContact CE-CE3 4.42Å; M79-I112 HydrophobicContact CE-CB 4.34Å; M79-I112 HydrophobicContact CE-CG1 3.44Å; M79-I112 VanDerWaalsContact CE-CG1 3.44Å; M79-I112 HydrophobicContact SD-CB 4.49Å; M79-I112 HydrophobicContact SD-CG1 3.8Å; M79-H113 WeakPolarHBondContact O-CB 3.27Å; M79-H113 PolarHBondContact O-N 3.31Å; M79-S116 VanDerWaalsContact C-CB 3.42Å; M79-S116 VanDerWaalsContact O-CB 3.3Å; M79-S116 WeakPolarHBondContact O-CB 3.33Å; M79-F118 HydrophobicContact SD-CB 4.34Å; M79-F118 HydrophobicContact SD-CD1 3.77Å; M79-F118 HydrophobicContact SD-CD2 4.47Å; M79-F118 HydrophobicContact SD-CE1 4.31Å; M79-F118 HydrophobicContact SD-CG 3.89Å
80	Q	91.3	Very high	85.4	Confident	29 Å²	29	72 Å²	72	14%	0.136	35%	0.351	C	S	.	.	S	Bend	trans	-97	163.4	178	-67.4	171.1	64.5	0	0	110.3	G76 A77 M78 G82 Q101 V104 S116	G76-Q80 PolarHBondContact O-NE2 3.46Å; A77-Q80 WeakPolarHBondContact O-CB 3.41Å; A77-Q80 PolarHBondContact O-N 3.13Å; A77-Q80 VanDerWaalsContact O-N 3.09Å; M78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-G82 PolarHBondContact O-N 3.27Å; Q80-Q101 HydrophobicContact CB-CG 4.22Å; Q80-Q101 PolarHBondContact OE1-O 3.48Å; Q80-V104 HydrophobicContact CG-CB 4.18Å; Q80-V104 HydrophobicContact CG-CG1 3.77Å; Q80-S116 WeakPolarHBondContact O-CA 3.42Å; Q80-S116 VanDerWaalsContact O-CB 3.22Å; Q80-S116 WeakPolarHBondContact O-CB 3.45Å
81	P	91.4	Very high	86	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.3	118.5	174.2	24.4	-29	0	0	0	110.9	F91 V97 E100 Q101	P81-F91 HydrophobicContact CB-CE2 4.46Å; P81-V97 HydrophobicContact CB-CG1 4.36Å; P81-V97 HydrophobicContact CG-CG1 4.39Å; P81-E100 HydrophobicContact CG-CB 4.36Å; P81-E100 HydrophobicContact CG-CG 3.85Å; P81-Q101 HydrophobicContact CG-CG 4.2Å; P81-Q101 PolarHBondContact O-NE2 2.89Å
82	G	89	Confident	86.6	Confident	14 Å²	14	63.2 Å²	63.2	14%	0.144	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67.5	150.8	171.9	0	0	0	0	0	111.8	Q80 N84 S87	Q80-G82 PolarHBondContact O-N 3.27Å; G82-N84 PolarHBondContact O-N 2.61Å; G82-N84 VanDerWaalsContact O-N 3.16Å; G82-S87 WeakPolarHBondContact O-CB 3.3Å; G82-S87 PolarHBondContact O-OG 2.94Å
83	V	90.9	Very high	87.3	Confident	70 Å²	70	62.2 Å²	62.2	42%	0.424	33%	0.329	S	S	.	.	S	Bend	trans	-77.4	100.4	173	-177.8	0	0	0	0	108.4	L88 Q94 V97	V83-L88 HydrophobicContact CG1-CD2 4.44Å; V83-Q94 HydrophobicContact CG1-CG 4.04Å; V83-Q94 HydrophobicContact CG2-CG 4.16Å; V83-V97 HydrophobicContact CG2-CB 4.46Å; V83-V97 HydrophobicContact CG2-CG1 4.03Å
84	N	88.1	Confident	88	Confident	53 Å²	53	60.1 Å²	60.1	28%	0.283	33%	0.326	S	S	.	.	S	Bend	trans	-142.7	172	-175.9	68.2	41.3	0	0	0	110.1	G82 F86 S87 L88	G82-N84 PolarHBondContact O-N 2.61Å; G82-N84 VanDerWaalsContact O-N 3.16Å; N84-F86 PolarHBondContact O-N 3.48Å; N84-F86 WeakPolarHBondContact OD1-CA 3.26Å; N84-F86 WeakPolarHBondContact OD1-CB 3.28Å; N84-F86 PolarHBondContact OD1-N 3.4Å; N84-S87 PolarHBondContact N-OG 2.99Å; N84-S87 PolarHBondContact O-N 2.93Å; N84-S87 PolarHBondContact O-OG 2.94Å; N84-S87 PolarHBondContact OD1-N 3.38Å; N84-S87 PolarHBondContact OD1-OG 2.98Å; N84-L88 WeakPolarHBondContact O-CG 3.31Å; N84-L88 PolarHBondContact O-N 2.96Å
85	K	86.2	Confident	88.4	Confident	144 Å²	144	63.1 Å²	63.1	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-57.8	-33.5	-176.6	-172.9	-173.7	175.4	-167.3	0	112.7	R89	K85-R89 WeakPolarHBondContact O-CB 3.43Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-R89 VanDerWaalsContact O-N 3.16Å
86	F	83.1	Confident	88.8	Confident	32 Å²	32	61 Å²	61	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-73.9	-48.4	179.8	176	-89	0	0	0	111.3	N84 L88 R89 M90 Y115 I261 M264	N84-F86 PolarHBondContact O-N 3.48Å; N84-F86 WeakPolarHBondContact OD1-CA 3.26Å; N84-F86 WeakPolarHBondContact OD1-CB 3.28Å; N84-F86 PolarHBondContact OD1-N 3.4Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 2.86Å; F86-R89 CarbonylContact O-C 3.59Å; F86-R89 WeakPolarHBondContact O-CA 3.45Å; F86-R89 PolarHBondContact O-N 3.2Å; F86-M90 PolarHBondContact O-N 3.33Å; F86-Y115 AromaticContact CE1-CD1 3.57Å; F86-Y115 HydrophobicContact CE1-CD1 3.57Å; F86-Y115 AromaticContact CE1-CD2 3.95Å; F86-Y115 HydrophobicContact CE1-CD2 3.95Å; F86-Y115 AromaticContact CE1-CE1 3.9Å; F86-Y115 HydrophobicContact CE1-CE1 3.9Å; F86-Y115 HydrophobicContact CE1-CE2 4.26Å; F86-Y115 AromaticContact CE1-CG 3.59Å; F86-Y115 HydrophobicContact CE1-CG 3.59Å; F86-Y115 AromaticContact CZ-CD1 3.96Å; F86-Y115 HydrophobicContact CZ-CD1 3.96Å; F86-Y115 AromaticContact CZ-CE1 3.83Å; F86-Y115 HydrophobicContact CZ-CE1 3.83Å; F86-Y115 HydrophobicContact CZ-CG 4.36Å; F86-I261 HydrophobicContact CD2-CG2 4.05Å; F86-I261 HydrophobicContact CE2-CB 4.22Å; F86-I261 HydrophobicContact CE2-CG1 3.89Å; F86-I261 HydrophobicContact CE2-CG2 4.14Å; F86-I261 HydrophobicContact CZ-CG1 3.99Å; F86-M264 HydrophobicContact CD2-CB 4.36Å; F86-M264 HydrophobicContact CE2-CB 4.15Å
87	S	86.9	Confident	89.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-34.4	177.8	61.5	0	0	0	0	112.4	G82 N84 R89 M90 F91	G82-S87 WeakPolarHBondContact O-CB 3.3Å; G82-S87 PolarHBondContact O-OG 2.94Å; N84-S87 PolarHBondContact N-OG 2.99Å; N84-S87 PolarHBondContact O-N 2.93Å; N84-S87 PolarHBondContact O-OG 2.94Å; N84-S87 PolarHBondContact OD1-N 3.38Å; N84-S87 PolarHBondContact OD1-OG 2.98Å; S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 2.97Å; S87-M90 PolarHBondContact O-N 2.87Å; S87-F91 WeakPolarHBondContact O-CB 3.34Å; S87-F91 VanDerWaalsContact O-CD2 3.29Å; S87-F91 WeakPolarHBondContact O-CD2 3.38Å; S87-F91 PolarHBondContact O-N 3.36Å
88	L	88.4	Confident	89.5	Confident	70 Å²	70	60.2 Å²	60.2	37%	0.366	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-30.6	170.3	-67.8	175	0	0	0	113.1	V83 N84 F86 G92 Q94	V83-L88 HydrophobicContact CG1-CD2 4.44Å; N84-L88 WeakPolarHBondContact O-CG 3.31Å; N84-L88 PolarHBondContact O-N 2.96Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 2.86Å; L88-G92 CarbonylContact O-C 3.56Å; L88-G92 WeakPolarHBondContact O-CA 3.39Å; L88-G92 PolarHBondContact O-N 2.87Å; L88-Q94 HydrophobicContact CD2-CB 4.21Å
89	R	85.6	Confident	89.5	Confident	157 Å²	157	64.2 Å²	64.2	59%	0.592	33%	0.327	S	S	*	.	H	α-helix	trans	-76.5	-31.1	174.4	-162.4	174.8	-169.4	167.7	3.6	112.6	K85 F86 S87 M264	K85-R89 WeakPolarHBondContact O-CB 3.43Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-R89 VanDerWaalsContact O-N 3.16Å; F86-R89 CarbonylContact O-C 3.59Å; F86-R89 WeakPolarHBondContact O-CA 3.45Å; F86-R89 PolarHBondContact O-N 3.2Å; S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 2.97Å; R89-M264 VanDerWaalsContact CD-O 3.29Å; R89-M264 WeakPolarHBondContact CD-O 3.36Å; R89-M264 PolarHBondContact NH1-O 3.11Å
90	M	83.4	Confident	89.6	Confident	70 Å²	70	64.6 Å²	64.6	35%	0.345	33%	0.329	S	S	.	.	H	α-helix	trans	-82.2	-45.7	179.4	-169.4	65.8	-174.7	0	0	113	F86 S87 Y115	F86-M90 PolarHBondContact O-N 3.33Å; S87-M90 PolarHBondContact O-N 2.87Å; M90-Y115 HydrophobicContact CE-CE2 4.03Å; M90-Y115 HydrophobicContact CG-CD2 4.39Å; M90-Y115 HydrophobicContact CG-CE2 3.91Å; M90-Y115 HydrophobicContact SD-CE2 4.33Å
91	F	88.3	Confident	89.6	Confident	47 Å²	47	65.4 Å²	65.4	21%	0.206	33%	0.333	C	S	.	.	H	α-helix	trans	-101.4	-1.8	-176.3	-56.5	-72.5	0	0	0	113.5	P81 S87 S93 A96 V97 E100 H113 Y115 I183	P81-F91 HydrophobicContact CB-CE2 4.46Å; S87-F91 WeakPolarHBondContact O-CB 3.34Å; S87-F91 VanDerWaalsContact O-CD2 3.29Å; S87-F91 WeakPolarHBondContact O-CD2 3.38Å; S87-F91 PolarHBondContact O-N 3.36Å; F91-S93 PolarHBondContact O-N 2.99Å; F91-A96 HydrophobicContact CB-CB 4.04Å; F91-A96 WeakPolarHBondContact O-CB 3.27Å; F91-V97 HydrophobicContact CB-CG2 4.02Å; F91-V97 HydrophobicContact CD2-CG2 4Å; F91-V97 HydrophobicContact CG-CG2 4.39Å; F91-E100 HydrophobicContact CE1-CB 4.46Å; F91-E100 HydrophobicContact CE1-CG 4.04Å; F91-E100 HydrophobicContact CZ-CG 3.92Å; F91-H113 AromaticContact CZ-CE1 3.82Å; F91-H113 AromaticContact CZ-NE2 3.82Å; F91-Y115 HydrophobicContact CE2-CD2 4.46Å; F91-Y115 HydrophobicContact CZ-CD2 4.32Å; F91-I183 HydrophobicContact CE1-CD1 4.01Å; F91-I183 HydrophobicContact CZ-CD1 3.71Å
92	G	89.8	Confident	89.6	Confident	64 Å²	64	71.3 Å²	71.3	66%	0.66	36%	0.36	S	S	*	.	S	Bend	trans	75.8	-33.7	173.5	0	0	0	0	0	116.4	L88	L88-G92 CarbonylContact O-C 3.56Å; L88-G92 WeakPolarHBondContact O-CA 3.39Å; L88-G92 PolarHBondContact O-N 2.87Å
93	S	92.7	Very high	89.7	Confident	56 Å²	56	75 Å²	75	39%	0.392	37%	0.37	S	S	.	.	S	Bend	trans	-148.6	154	-178.3	69.9	0	0	0	0	113.2	F91 K95 A96 V97	F91-S93 PolarHBondContact O-N 2.99Å; S93-K95 VanDerWaalsContact C-N 3.27Å; S93-K95 PolarHBondContact O-N 3.36Å; S93-A96 WeakPolarHBondContact O-CB 3.48Å; S93-A96 PolarHBondContact O-N 2.98Å; S93-A96 PolarHBondContact OG-N 2.84Å; S93-V97 PolarHBondContact O-N 3.06Å; S93-V97 VanDerWaalsContact O-N 3.14Å
94	Q	93.8	Very high	89.7	Confident	107 Å²	107	72 Å²	72	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-56.6	-41.4	177.5	-175.5	-178.5	-41.9	0	0	111.9	V83 L88 A96 V97 E98	V83-Q94 HydrophobicContact CG1-CG 4.04Å; V83-Q94 HydrophobicContact CG2-CG 4.16Å; L88-Q94 HydrophobicContact CD2-CB 4.21Å; Q94-A96 PolarHBondContact O-N 2.83Å; Q94-V97 CarbonylContact O-C 3.57Å; Q94-V97 WeakPolarHBondContact O-CA 3.28Å; Q94-V97 WeakPolarHBondContact O-CB 3.34Å; Q94-V97 PolarHBondContact O-N 3.11Å; Q94-E98 HydrophobicContact CG-CG 4.43Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.25Å; Q94-E98 PolarHBondContact NE2-OE1 3.24Å; Q94-E98 WeakPolarHBondContact O-CG 3.37Å; Q94-E98 PolarHBondContact O-N 3.23Å
95	K	93.3	Very high	89.6	Confident	165 Å²	165	75.5 Å²	75.5	72%	0.717	37%	0.366	S	S	*	.	H	α-helix	trans	-63.6	-28.3	177.4	-172.4	170.7	-177.8	174.5	0	113.5	S93 E98 K99	S93-K95 VanDerWaalsContact C-N 3.27Å; S93-K95 PolarHBondContact O-N 3.36Å; K95-E98 WeakPolarHBondContact CA-OE2 3.35Å; K95-K99 WeakPolarHBondContact O-CB 3.46Å; K95-K99 PolarHBondContact O-N 3.49Å
96	A	91.8	Very high	89.7	Confident	33 Å²	33	74.3 Å²	74.3	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-74.3	-36.1	171.8	0	0	0	0	0	111.8	F91 S93 Q94 K99 E100	F91-A96 HydrophobicContact CB-CB 4.04Å; F91-A96 WeakPolarHBondContact O-CB 3.27Å; S93-A96 WeakPolarHBondContact O-CB 3.48Å; S93-A96 PolarHBondContact O-N 2.98Å; S93-A96 PolarHBondContact OG-N 2.84Å; Q94-A96 PolarHBondContact O-N 2.83Å; A96-K99 PolarHBondContact O-N 3.28Å; A96-E100 WeakPolarHBondContact O-CB 3.44Å; A96-E100 PolarHBondContact O-N 2.91Å
97	V	92.9	Very high	89.7	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.4	-42.4	171	-175	0	0	0	0	111	P81 V83 F91 S93 Q94 E100 Q101	P81-V97 HydrophobicContact CB-CG1 4.36Å; P81-V97 HydrophobicContact CG-CG1 4.39Å; V83-V97 HydrophobicContact CG2-CB 4.46Å; V83-V97 HydrophobicContact CG2-CG1 4.03Å; F91-V97 HydrophobicContact CB-CG2 4.02Å; F91-V97 HydrophobicContact CD2-CG2 4Å; F91-V97 HydrophobicContact CG-CG2 4.39Å; S93-V97 PolarHBondContact O-N 3.06Å; S93-V97 VanDerWaalsContact O-N 3.14Å; Q94-V97 CarbonylContact O-C 3.57Å; Q94-V97 WeakPolarHBondContact O-CA 3.28Å; Q94-V97 WeakPolarHBondContact O-CB 3.34Å; Q94-V97 PolarHBondContact O-N 3.11Å; V97-E100 CarbonylContact O-C 3.53Å; V97-E100 WeakPolarHBondContact O-CB 3.37Å; V97-E100 PolarHBondContact O-N 2.88Å; V97-E100 VanDerWaalsContact O-N 3.15Å; V97-Q101 WeakPolarHBondContact O-CG 3.36Å; V97-Q101 PolarHBondContact O-N 3.37Å
98	E	91.8	Very high	89.3	Confident	76 Å²	76	75.6 Å²	75.6	36%	0.355	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-45.3	175.4	-70.4	162.7	177.5	0	0	111.5	Q94 K95 E100 Q101 E102	Q94-E98 HydrophobicContact CG-CG 4.43Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.25Å; Q94-E98 PolarHBondContact NE2-OE1 3.24Å; Q94-E98 WeakPolarHBondContact O-CG 3.37Å; Q94-E98 PolarHBondContact O-N 3.23Å; K95-E98 WeakPolarHBondContact CA-OE2 3.35Å; E98-E100 VanDerWaalsContact C-N 3.28Å; E98-E100 PolarHBondContact O-N 3.49Å; E98-Q101 WeakPolarHBondContact O-CB 3.26Å; E98-Q101 PolarHBondContact O-N 2.9Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; E98-E102 PolarHBondContact O-N 2.86Å
99	K	91.9	Very high	88.9	Confident	152 Å²	152	82 Å²	82	66%	0.661	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-34.3	172.8	-174	-176	175.4	-169.7	0	112.7	K95 A96 R103	K95-K99 WeakPolarHBondContact O-CB 3.46Å; K95-K99 PolarHBondContact O-N 3.49Å; A96-K99 PolarHBondContact O-N 3.28Å; K99-R103 PolarHBondContact O-N 3.45Å
100	E	91.5	Very high	88.9	Confident	18 Å²	18	81 Å²	81	8%	0.084	41%	0.408	C	S	.	.	H	α-helix	trans	-71.6	-36	174.6	-177.6	57.5	-155.2	0	0	111.8	P81 F91 A96 V97 E98 R103 V104 H113	P81-E100 HydrophobicContact CG-CB 4.36Å; P81-E100 HydrophobicContact CG-CG 3.85Å; F91-E100 HydrophobicContact CE1-CB 4.46Å; F91-E100 HydrophobicContact CE1-CG 4.04Å; F91-E100 HydrophobicContact CZ-CG 3.92Å; A96-E100 WeakPolarHBondContact O-CB 3.44Å; A96-E100 PolarHBondContact O-N 2.91Å; V97-E100 CarbonylContact O-C 3.53Å; V97-E100 WeakPolarHBondContact O-CB 3.37Å; V97-E100 PolarHBondContact O-N 2.88Å; V97-E100 VanDerWaalsContact O-N 3.15Å; E98-E100 VanDerWaalsContact C-N 3.28Å; E98-E100 PolarHBondContact O-N 3.49Å; E100-R103 VanDerWaalsContact CD-NH2 3.34Å; E100-R103 WeakPolarHBondContact O-CB 3.44Å; E100-R103 PolarHBondContact O-N 2.71Å; E100-R103 VanDerWaalsContact O-N 3.15Å; E100-R103 IonicContact OE1-CZ 2.69Å; E100-R103 IonicContact OE1-NE 2.79Å; E100-R103 PolarHBondContact OE1-NE 2.92Å; E100-R103 IonicContact OE1-NH2 3.05Å; E100-R103 PolarHBondContact OE1-NH2 2.93Å; E100-R103 IonicContact OE2-CZ 3.86Å; E100-R103 IonicContact OE2-NE 3.19Å; E100-R103 PolarHBondContact OE2-NE 3.32Å; E100-R103 IonicContact OE2-NH2 2.68Å; E100-R103 PolarHBondContact OE2-NH2 3.48Å; E100-V104 WeakPolarHBondContact O-CG2 3.46Å; E100-V104 PolarHBondContact O-N 3.05Å; E100-H113 IonicContact OE1-CD2 3.44Å; E100-H113 PolarHBondContact OE1-CD2 2.97Å; E100-H113 IonicContact OE1-NE2 2.67Å; E100-H113 PolarHBondContact OE1-NE2 3.18Å
101	Q	91.4	Very high	89.4	Confident	46 Å²	46	78 Å²	78	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-45.5	171.1	-70.2	169.7	1.4	0	0	111.1	Q80 P81 V97 E98 R103 V104 Q105	Q80-Q101 HydrophobicContact CB-CG 4.22Å; Q80-Q101 PolarHBondContact OE1-O 3.48Å; P81-Q101 HydrophobicContact CG-CG 4.2Å; P81-Q101 PolarHBondContact O-NE2 2.89Å; V97-Q101 WeakPolarHBondContact O-CG 3.36Å; V97-Q101 PolarHBondContact O-N 3.37Å; E98-Q101 WeakPolarHBondContact O-CB 3.26Å; E98-Q101 PolarHBondContact O-N 2.9Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; Q101-R103 VanDerWaalsContact C-N 3.29Å; Q101-R103 PolarHBondContact O-N 2.66Å; Q101-V104 PolarHBondContact O-N 3.36Å; Q101-Q105 VanDerWaalsContact O-CG 3.3Å; Q101-Q105 WeakPolarHBondContact O-CG 3.44Å; Q101-Q105 PolarHBondContact O-N 2.86Å
102	E	91	Very high	89.6	Confident	123 Å²	123	75.7 Å²	75.7	58%	0.575	38%	0.383	S	S	*	.	H	α-helix	trans	-58	-40	171.7	-67.7	173.9	167.9	0	0	112.1	E98 Q105 T106	E98-E102 PolarHBondContact O-N 2.86Å; E102-Q105 PolarHBondContact O-N 3.47Å; E102-T106 PolarHBondContact O-N 2.96Å; E102-T106 PolarHBondContact O-OG1 2.8Å
103	R	91.7	Very high	89.8	Confident	92 Å²	92	72.7 Å²	72.7	35%	0.347	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-38.2	177.4	-160.1	179.3	69.3	105.1	4.2	112.7	K99 E100 Q101 T106 A107 I183 L185	K99-R103 PolarHBondContact O-N 3.45Å; E100-R103 VanDerWaalsContact CD-NH2 3.34Å; E100-R103 WeakPolarHBondContact O-CB 3.44Å; E100-R103 PolarHBondContact O-N 2.71Å; E100-R103 VanDerWaalsContact O-N 3.15Å; E100-R103 IonicContact OE1-CZ 2.69Å; E100-R103 IonicContact OE1-NE 2.79Å; E100-R103 PolarHBondContact OE1-NE 2.92Å; E100-R103 IonicContact OE1-NH2 3.05Å; E100-R103 PolarHBondContact OE1-NH2 2.93Å; E100-R103 IonicContact OE2-CZ 3.86Å; E100-R103 IonicContact OE2-NE 3.19Å; E100-R103 PolarHBondContact OE2-NE 3.32Å; E100-R103 IonicContact OE2-NH2 2.68Å; E100-R103 PolarHBondContact OE2-NH2 3.48Å; Q101-R103 VanDerWaalsContact C-N 3.29Å; Q101-R103 PolarHBondContact O-N 2.66Å; R103-T106 WeakPolarHBondContact CA-OG1 3.48Å; R103-T106 PolarHBondContact O-N 2.84Å; R103-T106 PolarHBondContact O-OG1 3.14Å; R103-A107 WeakPolarHBondContact O-CB 3.27Å; R103-A107 PolarHBondContact O-N 3.12Å; R103-I183 VanDerWaalsContact CZ-O 3.24Å; R103-I183 PolarHBondContact NH1-O 2.9Å; R103-I183 PolarHBondContact NH2-O 3.32Å; R103-L185 HydrophobicContact CG-CD1 4.43Å
104	V	90.7	Very high	89.7	Confident	8 Å²	8	70.4 Å²	70.4	5%	0.048	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-41.1	173.3	175	0	0	0	0	111.2	Q80 E100 Q101 T106 A107 H113 L185	Q80-V104 HydrophobicContact CG-CB 4.18Å; Q80-V104 HydrophobicContact CG-CG1 3.77Å; E100-V104 WeakPolarHBondContact O-CG2 3.46Å; E100-V104 PolarHBondContact O-N 3.05Å; Q101-V104 PolarHBondContact O-N 3.36Å; V104-T106 VanDerWaalsContact C-N 3.3Å; V104-T106 PolarHBondContact O-N 3.11Å; V104-A107 PolarHBondContact O-N 3.36Å; V104-H113 HydrophobicContact CG2-CB 3.9Å; V104-L185 HydrophobicContact CB-CD1 4.36Å; V104-L185 HydrophobicContact CG2-CD1 3.64Å
105	Q	86.7	Confident	89.4	Confident	126 Å²	126	66.2 Å²	66.2	59%	0.589	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-34	176.8	-70.1	171.4	45.5	0	0	112.6	Q101 E102	Q101-Q105 VanDerWaalsContact O-CG 3.3Å; Q101-Q105 WeakPolarHBondContact O-CG 3.44Å; Q101-Q105 PolarHBondContact O-N 2.86Å; E102-Q105 PolarHBondContact O-N 3.47Å
106	T	87.7	Confident	89.3	Confident	118 Å²	118	58.4 Å²	58.4	72%	0.724	28%	0.281	S	S	*	.	H	α-helix	trans	-86.9	-20.5	179	48.3	0	0	0	0	114.4	E102 R103 V104 G108	E102-T106 PolarHBondContact O-N 2.96Å; E102-T106 PolarHBondContact O-OG1 2.8Å; R103-T106 WeakPolarHBondContact CA-OG1 3.48Å; R103-T106 PolarHBondContact O-N 2.84Å; R103-T106 PolarHBondContact O-OG1 3.14Å; V104-T106 VanDerWaalsContact C-N 3.3Å; V104-T106 PolarHBondContact O-N 3.11Å; T106-G108 VanDerWaalsContact C-N 3.31Å; T106-G108 PolarHBondContact O-N 3.13Å
107	A	83.2	Confident	89.3	Confident	29 Å²	29	59.7 Å²	59.7	24%	0.24	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-25.3	-180	0	0	0	0	0	114.6	R103 V104 L185	R103-A107 WeakPolarHBondContact O-CB 3.27Å; R103-A107 PolarHBondContact O-N 3.12Å; V104-A107 PolarHBondContact O-N 3.36Å; A107-L185 HydrophobicContact CB-CB 3.58Å; A107-L185 HydrophobicContact CB-CD1 4.11Å
108	G	77.7	Confident	89.3	Confident	30 Å²	30	60.9 Å²	60.9	31%	0.309	29%	0.289	S	S	.	.			trans	138.3	171.3	168.9	0	0	0	0	0	115.5	T106 W110	T106-G108 VanDerWaalsContact C-N 3.31Å; T106-G108 PolarHBondContact O-N 3.13Å; G108-W110 PolarHBondContact O-N 3.31Å
109	Y	80.4	Confident	89.2	Confident	204 Å²	204	57.6 Å²	57.6	80%	0.8	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	122.1	-174.9	-62.6	-72.3	0	0	0	113.5	R172	Y109-R172 PolarHBondContact O-NH1 2.93Å
110	W	85.9	Confident	89.1	Confident	137 Å²	137	54.1 Å²	54.1	52%	0.519	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	49.9	175.6	-52.2	87.6	0	0	0	113.9	Q72 F75 M79 G108	Q72-W110 HydrophobicContact CG-CH2 4.3Å; Q72-W110 HydrophobicContact CG-CZ2 4.38Å; F75-W110 HydrophobicContact CD1-CE3 4.21Å; F75-W110 AromaticContact CD1-CZ3 3.57Å; F75-W110 HydrophobicContact CD1-CZ3 3.57Å; F75-W110 HydrophobicContact CE1-CE3 4.24Å; F75-W110 AromaticContact CE1-CZ3 3.85Å; F75-W110 HydrophobicContact CE1-CZ3 3.85Å; F75-W110 HydrophobicContact CG-CZ3 4.42Å; M79-W110 HydrophobicContact CE-CB 4.41Å; M79-W110 HydrophobicContact CE-CE3 4.42Å; G108-W110 PolarHBondContact O-N 3.31Å
111	I	92.6	Very high	89	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-88.1	138.4	164.4	-66.7	-67.8	0	0	0	109.7	L185 P187 I190	I111-L185 HydrophobicContact CG2-CB 4.47Å; I111-L185 HydrophobicContact CG2-CD2 4.1Å; I111-P187 HydrophobicContact CD1-CB 4.18Å; I111-P187 HydrophobicContact CD1-CG 3.83Å; I111-P187 HydrophobicContact CG1-CG 4.27Å; I111-I190 HydrophobicContact CD1-CD1 4.34Å
112	I	94.3	Very high	89.1	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-100.8	117.4	-179.9	-50	157.2	0	0	0	106.9	M79 F118 R119 M169 R172 T173 G174	M79-I112 HydrophobicContact CE-CB 4.34Å; M79-I112 HydrophobicContact CE-CG1 3.44Å; M79-I112 VanDerWaalsContact CE-CG1 3.44Å; M79-I112 HydrophobicContact SD-CB 4.49Å; M79-I112 HydrophobicContact SD-CG1 3.8Å; I112-F118 HydrophobicContact CG2-CD1 4.17Å; I112-R119 HydrophobicContact CG2-CB 3.86Å; I112-R119 HydrophobicContact CG2-CG 4.45Å; I112-M169 HydrophobicContact CD1-CB 3.91Å; I112-M169 HydrophobicContact CD1-CE 3.66Å; I112-M169 WeakPolarHBondContact CD1-O 3.43Å; I112-M169 HydrophobicContact CD1-SD 4.18Å; I112-M169 HydrophobicContact CG1-CE 4.33Å; I112-R172 HydrophobicContact CD1-CB 3.89Å; I112-R172 HydrophobicContact CG1-CB 4.17Å; I112-R172 PolarHBondContact N-O 3.32Å; I112-T173 WeakPolarHBondContact O-CA 3.22Å; I112-G174 PolarHBondContact O-N 3.25Å
113	H	92.8	Very high	89	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70.3	135.5	171.1	-175.8	-94.8	0	0	0	109.7	M79 F91 E100 V104 Y115 S116 I183	M79-H113 WeakPolarHBondContact O-CB 3.27Å; M79-H113 PolarHBondContact O-N 3.31Å; F91-H113 AromaticContact CZ-CE1 3.82Å; F91-H113 AromaticContact CZ-NE2 3.82Å; E100-H113 IonicContact OE1-CD2 3.44Å; E100-H113 PolarHBondContact OE1-CD2 2.97Å; E100-H113 IonicContact OE1-NE2 2.67Å; E100-H113 PolarHBondContact OE1-NE2 3.18Å; V104-H113 HydrophobicContact CG2-CB 3.9Å; H113-Y115 AromaticContact CE1-CD2 3.77Å; H113-Y115 PolarHBondContact ND1-N 3.11Å; H113-Y115 PolarHBondContact O-N 2.86Å; H113-S116 WeakPolarHBondContact O-CB 3.25Å; H113-S116 PolarHBondContact O-N 3.01Å; H113-S116 PolarHBondContact O-OG 3.2Å; H113-I183 WeakPolarHBondContact NE2-CD1 3.33Å
114	P	90.1	Very high	88.8	Confident	8 Å²	8	51.7 Å²	51.7	5%	0.052	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.2	-174.5	22	-32.8	0	0	0	113.2	T173 V176 I183	P114-T173 HydrophobicContact CB-CG2 4.37Å; P114-V176 HydrophobicContact CB-CG2 4.02Å; P114-V176 HydrophobicContact CG-CG2 3.69Å; P114-I183 HydrophobicContact CG-CD1 4.47Å; P114-I183 HydrophobicContact CG-CG2 3.71Å
115	Y	88.8	Confident	88.8	Confident	19 Å²	19	55.6 Å²	55.6	8%	0.075	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	35	173.6	-45.5	-50.8	0	0	0	112.7	F86 M90 F91 H113 V176 I183	F86-Y115 AromaticContact CE1-CD1 3.57Å; F86-Y115 HydrophobicContact CE1-CD1 3.57Å; F86-Y115 AromaticContact CE1-CD2 3.95Å; F86-Y115 HydrophobicContact CE1-CD2 3.95Å; F86-Y115 AromaticContact CE1-CE1 3.9Å; F86-Y115 HydrophobicContact CE1-CE1 3.9Å; F86-Y115 HydrophobicContact CE1-CE2 4.26Å; F86-Y115 AromaticContact CE1-CG 3.59Å; F86-Y115 HydrophobicContact CE1-CG 3.59Å; F86-Y115 AromaticContact CZ-CD1 3.96Å; F86-Y115 HydrophobicContact CZ-CD1 3.96Å; F86-Y115 AromaticContact CZ-CE1 3.83Å; F86-Y115 HydrophobicContact CZ-CE1 3.83Å; F86-Y115 HydrophobicContact CZ-CG 4.36Å; M90-Y115 HydrophobicContact CE-CE2 4.03Å; M90-Y115 HydrophobicContact CG-CD2 4.39Å; M90-Y115 HydrophobicContact CG-CE2 3.91Å; M90-Y115 HydrophobicContact SD-CE2 4.33Å; F91-Y115 HydrophobicContact CE2-CD2 4.46Å; F91-Y115 HydrophobicContact CZ-CD2 4.32Å; H113-Y115 AromaticContact CE1-CD2 3.77Å; H113-Y115 PolarHBondContact ND1-N 3.11Å; H113-Y115 PolarHBondContact O-N 2.86Å; Y115-V176 HydrophobicContact CE1-CG2 4.24Å; Y115-V176 HydrophobicContact CE2-CG2 4.21Å; Y115-I183 HydrophobicContact CD2-CD1 3.86Å; Y115-I183 HydrophobicContact CE2-CD1 3.72Å
116	S	91.6	Very high	89	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	24%	0.238	C	C	.	.	S	Bend	trans	-86.2	150.5	171.5	61.1	0	0	0	0	111.5	M78 M79 Q80 H113 F118 R119 F120	M78-S116 WeakPolarHBondContact O-CB 3.46Å; M79-S116 VanDerWaalsContact C-CB 3.42Å; M79-S116 VanDerWaalsContact O-CB 3.3Å; M79-S116 WeakPolarHBondContact O-CB 3.33Å; Q80-S116 WeakPolarHBondContact O-CA 3.42Å; Q80-S116 VanDerWaalsContact O-CB 3.22Å; Q80-S116 WeakPolarHBondContact O-CB 3.45Å; H113-S116 WeakPolarHBondContact O-CB 3.25Å; H113-S116 PolarHBondContact O-N 3.01Å; H113-S116 PolarHBondContact O-OG 3.2Å; S116-F118 PolarHBondContact O-N 3.22Å; S116-R119 PolarHBondContact O-N 3.45Å; S116-R119 VanDerWaalsContact O-N 3.11Å; S116-R119 WeakPolarHBondContact OG-CB 3.34Å; S116-R119 PolarHBondContact OG-N 3.04Å; S116-R119 VanDerWaalsContact OG-N 3.17Å; S116-F120 PolarHBondContact O-N 3.42Å
117	D	90	Very high	89	Confident	60 Å²	60	46.1 Å²	46.1	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-32.2	176.6	-59.6	-41.4	0	0	0	110.6	M78 F120 Y121	M78-D117 HydrophobicContact CG-CB 4.5Å; D117-F120 PolarHBondContact O-N 3.37Å; D117-Y121 WeakPolarHBondContact O-CD2 3.19Å; D117-Y121 PolarHBondContact O-N 3.4Å
118	F	92.9	Very high	89.3	Confident	24 Å²	24	50.1 Å²	50.1	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-50.7	170.8	179.9	-88.6	0	0	0	111.7	F75 M78 M79 I112 S116 F120 Y121 W122 M169	F75-F118 HydrophobicContact CE1-CD2 4.37Å; F75-F118 HydrophobicContact CE1-CE2 4.31Å; F75-F118 HydrophobicContact CE2-CD2 4.16Å; F75-F118 AromaticContact CE2-CE2 3.88Å; F75-F118 HydrophobicContact CE2-CE2 3.88Å; F75-F118 AromaticContact CZ-CD2 3.8Å; F75-F118 HydrophobicContact CZ-CD2 3.8Å; F75-F118 AromaticContact CZ-CE2 3.43Å; F75-F118 HydrophobicContact CZ-CE2 3.43Å; F75-F118 VanDerWaalsContact CZ-CE2 3.43Å; F75-F118 HydrophobicContact CZ-CZ 4.1Å; M78-F118 HydrophobicContact CB-CB 4.28Å; M78-F118 HydrophobicContact CG-CB 3.87Å; M78-F118 WeakPolarHBondContact O-CB 3.47Å; M78-F118 PolarHBondContact O-N 2.98Å; M78-F118 HydrophobicContact SD-CB 4.14Å; M78-F118 HydrophobicContact SD-CD2 4Å; M79-F118 HydrophobicContact SD-CB 4.34Å; M79-F118 HydrophobicContact SD-CD1 3.77Å; M79-F118 HydrophobicContact SD-CD2 4.47Å; M79-F118 HydrophobicContact SD-CE1 4.31Å; M79-F118 HydrophobicContact SD-CG 3.89Å; I112-F118 HydrophobicContact CG2-CD1 4.17Å; S116-F118 PolarHBondContact O-N 3.22Å; F118-F120 VanDerWaalsContact C-N 3.33Å; F118-F120 PolarHBondContact O-N 2.98Å; F118-Y121 PolarHBondContact O-N 2.95Å; F118-W122 HydrophobicContact CE1-CB 4.04Å; F118-W122 HydrophobicContact CE1-CG 4.31Å; F118-W122 HydrophobicContact CZ-CB 4.34Å; F118-W122 HydrophobicContact CZ-CD2 4.41Å; F118-W122 HydrophobicContact CZ-CE3 4.06Å; F118-W122 VanDerWaalsContact O-CB 3.26Å; F118-W122 WeakPolarHBondContact O-CB 3.49Å; F118-W122 PolarHBondContact O-N 2.74Å; F118-M169 HydrophobicContact CD1-CE 4.41Å; F118-M169 HydrophobicContact CE1-CE 3.36Å; F118-M169 HydrophobicContact CZ-CE 3.57Å
119	R	90.9	Very high	89.9	Confident	8 Å²	8	51.3 Å²	51.3	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-42.5	-179	-173.5	67.5	-154.8	-166.5	7.4	111.1	I112 S116 W122 D123 N170 T173 Y254	I112-R119 HydrophobicContact CG2-CB 3.86Å; I112-R119 HydrophobicContact CG2-CG 4.45Å; S116-R119 PolarHBondContact O-N 3.45Å; S116-R119 VanDerWaalsContact O-N 3.11Å; S116-R119 WeakPolarHBondContact OG-CB 3.34Å; S116-R119 PolarHBondContact OG-N 3.04Å; S116-R119 VanDerWaalsContact OG-N 3.17Å; R119-W122 PolarHBondContact O-N 3.12Å; R119-D123 WeakPolarHBondContact CG-OD2 3.32Å; R119-D123 IonicContact CZ-OD1 2.75Å; R119-D123 IonicContact CZ-OD2 3.11Å; R119-D123 VanDerWaalsContact NE-CG 3.3Å; R119-D123 IonicContact NE-OD1 3.26Å; R119-D123 PolarHBondContact NE-OD1 2.85Å; R119-D123 VanDerWaalsContact NE-OD1 3.15Å; R119-D123 IonicContact NE-OD2 3.06Å; R119-D123 PolarHBondContact NE-OD2 2.98Å; R119-D123 IonicContact NH2-OD1 2.7Å; R119-D123 PolarHBondContact NH2-OD1 3.48Å; R119-D123 IonicContact NH2-OD2 3.26Å; R119-D123 PolarHBondContact NH2-OD2 3.3Å; R119-D123 WeakPolarHBondContact O-CB 3.32Å; R119-D123 PolarHBondContact O-N 2.68Å; R119-N170 PolarHBondContact NH1-OD1 3.45Å; R119-N170 PolarHBondContact NH2-OD1 2.82Å; R119-T173 HydrophobicContact CG-CG2 4.43Å; R119-T173 PolarHBondContact NH1-OG1 3.34Å; R119-Y254 PolarHBondContact NH2-OH 3.36Å
120	F	88.5	Confident	90.2	Very high	79 Å²	79	41.6 Å²	41.6	35%	0.346	19%	0.191	S	C	.	.	H	α-helix	trans	-57	-52.4	175.9	177.4	-92	0	0	0	112.6	S116 D117 F118 W122 D123 L124 W258	S116-F120 PolarHBondContact O-N 3.42Å; D117-F120 PolarHBondContact O-N 3.37Å; F118-F120 VanDerWaalsContact C-N 3.33Å; F118-F120 PolarHBondContact O-N 2.98Å; F120-W122 PolarHBondContact O-N 3.44Å; F120-D123 PolarHBondContact O-N 2.64Å; F120-L124 WeakPolarHBondContact O-CB 3.25Å; F120-L124 PolarHBondContact O-N 3.3Å; F120-W258 HydrophobicContact CD1-CH2 4.35Å; F120-W258 AromaticContact CD2-CH2 3.62Å; F120-W258 HydrophobicContact CD2-CH2 3.62Å; F120-W258 HydrophobicContact CD2-CZ2 4Å; F120-W258 HydrophobicContact CD2-CZ3 4.06Å; F120-W258 HydrophobicContact CE1-CH2 4.02Å; F120-W258 HydrophobicContact CE2-CE3 4.17Å; F120-W258 AromaticContact CE2-CH2 3.25Å; F120-W258 HydrophobicContact CE2-CH2 3.25Å; F120-W258 HydrophobicContact CE2-CZ2 4.07Å; F120-W258 AromaticContact CE2-CZ3 3.31Å; F120-W258 HydrophobicContact CE2-CZ3 3.31Å; F120-W258 HydrophobicContact CG-CH2 4.17Å; F120-W258 HydrophobicContact CG-CZ2 4.45Å; F120-W258 AromaticContact CZ-CH2 3.47Å; F120-W258 HydrophobicContact CZ-CH2 3.47Å; F120-W258 VanDerWaalsContact CZ-CH2 3.47Å; F120-W258 AromaticContact CZ-CZ3 3.61Å; F120-W258 HydrophobicContact CZ-CZ3 3.61Å; F120-W258 WeakPolarHBondContact O-CZ2 3.08Å
121	Y	90.8	Very high	90.4	Very high	125 Å²	125	38.7 Å²	38.7	49%	0.49	18%	0.184	S	C	.	.	H	α-helix	trans	-69.2	-33.5	178.9	-73.6	-63	0	0	0	112.9	M78 D117 F118 L124 I125	M78-Y121 HydrophobicContact CE-CD2 3.67Å; M78-Y121 HydrophobicContact CE-CE2 4.39Å; M78-Y121 HydrophobicContact CE-CG 4.5Å; D117-Y121 WeakPolarHBondContact O-CD2 3.19Å; D117-Y121 PolarHBondContact O-N 3.4Å; F118-Y121 PolarHBondContact O-N 2.95Å; Y121-L124 PolarHBondContact O-N 3.38Å; Y121-I125 WeakPolarHBondContact O-CG1 3.05Å; Y121-I125 PolarHBondContact O-N 3.07Å
122	W	92.3	Very high	90.3	Very high	42 Å²	42	39.7 Å²	39.7	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-50.9	173.2	-177.5	-95.2	0	0	0	111.1	F118 R119 F120 L124 I125 M126 V165 D166	F118-W122 HydrophobicContact CE1-CB 4.04Å; F118-W122 HydrophobicContact CE1-CG 4.31Å; F118-W122 HydrophobicContact CZ-CB 4.34Å; F118-W122 HydrophobicContact CZ-CD2 4.41Å; F118-W122 HydrophobicContact CZ-CE3 4.06Å; F118-W122 VanDerWaalsContact O-CB 3.26Å; F118-W122 WeakPolarHBondContact O-CB 3.49Å; F118-W122 PolarHBondContact O-N 2.74Å; R119-W122 PolarHBondContact O-N 3.12Å; F120-W122 PolarHBondContact O-N 3.44Å; W122-L124 VanDerWaalsContact C-N 3.27Å; W122-L124 PolarHBondContact O-N 3.13Å; W122-I125 PolarHBondContact O-N 3.34Å; W122-I125 VanDerWaalsContact O-N 3.12Å; W122-M126 HydrophobicContact CD2-CG 4.49Å; W122-M126 HydrophobicContact CG-CG 4.44Å; W122-M126 HydrophobicContact CZ2-CG 4.39Å; W122-M126 HydrophobicContact CZ2-SD 3.81Å; W122-M126 VanDerWaalsContact O-CG 3.32Å; W122-M126 WeakPolarHBondContact O-CG 3.23Å; W122-M126 PolarHBondContact O-N 2.98Å; W122-V165 HydrophobicContact CH2-CB 4.11Å; W122-V165 HydrophobicContact CH2-CG1 3.53Å; W122-V165 HydrophobicContact CZ2-CB 4.32Å; W122-V165 HydrophobicContact CZ2-CG1 3.87Å; W122-V165 HydrophobicContact CZ3-CG1 4.41Å; W122-D166 HydrophobicContact CZ2-CB 3.96Å; W122-D166 PolarHBondContact NE1-OD1 2.68Å
123	D	89	Confident	90.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-31.3	179.2	-72.8	-29.7	0	0	0	112.6	R119 F120 M126 L127 Y254 W258	R119-D123 WeakPolarHBondContact CG-OD2 3.32Å; R119-D123 IonicContact CZ-OD1 2.75Å; R119-D123 IonicContact CZ-OD2 3.11Å; R119-D123 VanDerWaalsContact NE-CG 3.3Å; R119-D123 IonicContact NE-OD1 3.26Å; R119-D123 PolarHBondContact NE-OD1 2.85Å; R119-D123 VanDerWaalsContact NE-OD1 3.15Å; R119-D123 IonicContact NE-OD2 3.06Å; R119-D123 PolarHBondContact NE-OD2 2.98Å; R119-D123 IonicContact NH2-OD1 2.7Å; R119-D123 PolarHBondContact NH2-OD1 3.48Å; R119-D123 IonicContact NH2-OD2 3.26Å; R119-D123 PolarHBondContact NH2-OD2 3.3Å; R119-D123 WeakPolarHBondContact O-CB 3.32Å; R119-D123 PolarHBondContact O-N 2.68Å; F120-D123 PolarHBondContact O-N 2.64Å; D123-M126 PolarHBondContact O-N 3.21Å; D123-L127 WeakPolarHBondContact O-CB 3.43Å; D123-L127 PolarHBondContact O-N 2.91Å; D123-Y254 VanDerWaalsContact OD1-CZ 3.3Å; D123-W258 HydrophobicContact CB-CZ2 4.29Å
124	L	88.4	Confident	90	Very high	59 Å²	59	39.7 Å²	39.7	31%	0.309	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-44.5	171.8	-178.8	60.1	0	0	0	112.3	F120 Y121 W122 M126 L127 I128 W258	F120-L124 WeakPolarHBondContact O-CB 3.25Å; F120-L124 PolarHBondContact O-N 3.3Å; Y121-L124 PolarHBondContact O-N 3.38Å; W122-L124 VanDerWaalsContact C-N 3.27Å; W122-L124 PolarHBondContact O-N 3.13Å; L124-M126 VanDerWaalsContact C-N 3.34Å; L124-L127 PolarHBondContact O-N 2.83Å; L124-I128 HydrophobicContact CD1-CD1 4.23Å; L124-I128 HydrophobicContact CG-CD1 4.22Å; L124-I128 WeakPolarHBondContact O-CG1 3.41Å; L124-I128 PolarHBondContact O-N 3.15Å; L124-W258 HydrophobicContact CB-CH2 3.92Å; L124-W258 HydrophobicContact CB-CZ2 3.93Å; L124-W258 HydrophobicContact CD1-CH2 4.23Å; L124-W258 HydrophobicContact CG-CH2 4.5Å
125	I	91.1	Very high	90.1	Very high	90 Å²	90	42.9 Å²	42.9	46%	0.462	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-44.5	174.7	-69	164.6	0	0	0	109.9	Y121 W122 L127 I128 M129	Y121-I125 WeakPolarHBondContact O-CG1 3.05Å; Y121-I125 PolarHBondContact O-N 3.07Å; W122-I125 PolarHBondContact O-N 3.34Å; W122-I125 VanDerWaalsContact O-N 3.12Å; I125-L127 VanDerWaalsContact C-N 3.35Å; I125-L127 PolarHBondContact O-N 3.01Å; I125-I128 PolarHBondContact O-N 2.83Å; I125-M129 HydrophobicContact CG2-CG 4.39Å; I125-M129 WeakPolarHBondContact O-CB 3.45Å; I125-M129 WeakPolarHBondContact O-CG 3.39Å; I125-M129 PolarHBondContact O-N 3.14Å
126	M	89.6	Confident	90.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-40.8	176.3	-67.3	-53.5	-59.7	0	0	111.8	W122 D123 L124 M130 I162 F163 D166 Y254	W122-M126 HydrophobicContact CD2-CG 4.49Å; W122-M126 HydrophobicContact CG-CG 4.44Å; W122-M126 HydrophobicContact CZ2-CG 4.39Å; W122-M126 HydrophobicContact CZ2-SD 3.81Å; W122-M126 VanDerWaalsContact O-CG 3.32Å; W122-M126 WeakPolarHBondContact O-CG 3.23Å; W122-M126 PolarHBondContact O-N 2.98Å; D123-M126 PolarHBondContact O-N 3.21Å; L124-M126 VanDerWaalsContact C-N 3.34Å; M126-M130 WeakPolarHBondContact O-CA 3.13Å; M126-M130 WeakPolarHBondContact O-CB 3.49Å; M126-M130 PolarHBondContact O-N 2.95Å; M126-I162 HydrophobicContact CE-CG2 4.21Å; M126-I162 HydrophobicContact SD-CG2 3.52Å; M126-I162 VanDerWaalsContact SD-CG2 3.52Å; M126-F163 HydrophobicContact CE-CD1 3.34Å; M126-F163 HydrophobicContact CE-CE1 3.35Å; M126-F163 HydrophobicContact CE-CG 4.11Å; M126-F163 HydrophobicContact CE-CZ 4.14Å; M126-D166 HydrophobicContact CE-CB 3.6Å; M126-D166 HydrophobicContact SD-CB 3.92Å; M126-Y254 HydrophobicContact CB-CD2 4.45Å; M126-Y254 HydrophobicContact CB-CE2 3.83Å; M126-Y254 HydrophobicContact CG-CE2 4.49Å
127	L	87.5	Confident	90.1	Very high	45 Å²	45	45.2 Å²	45.2	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-45.2	176.5	175.9	61	0	0	0	112.3	D123 L124 I125 M130 M131 L251	D123-L127 WeakPolarHBondContact O-CB 3.43Å; D123-L127 PolarHBondContact O-N 2.91Å; L124-L127 PolarHBondContact O-N 2.83Å; I125-L127 VanDerWaalsContact C-N 3.35Å; I125-L127 PolarHBondContact O-N 3.01Å; L127-M130 WeakPolarHBondContact O-CB 3.49Å; L127-M130 PolarHBondContact O-N 2.97Å; L127-M131 PolarHBondContact O-N 3.25Å; L127-L251 HydrophobicContact CD1-CD1 3.32Å
128	I	89.9	Confident	90.2	Very high	113 Å²	113	42.6 Å²	42.6	58%	0.579	21%	0.211	S	C	*	.	H	α-helix	trans	-65.4	-48.8	177.7	-67	165	0	0	0	110.4	L124 I125 M130 M131 G132	L124-I128 HydrophobicContact CD1-CD1 4.23Å; L124-I128 HydrophobicContact CG-CD1 4.22Å; L124-I128 WeakPolarHBondContact O-CG1 3.41Å; L124-I128 PolarHBondContact O-N 3.15Å; I125-I128 PolarHBondContact O-N 2.83Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 3.16Å; I128-M131 PolarHBondContact O-N 3.49Å; I128-G132 PolarHBondContact O-N 2.79Å
129	M	89.9	Confident	90.2	Very high	55 Å²	55	42.3 Å²	42.3	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-39.7	176.4	-73.5	-61.7	-64.2	0	0	111.6	I125 G132 N133 I162	I125-M129 HydrophobicContact CG2-CG 4.39Å; I125-M129 WeakPolarHBondContact O-CB 3.45Å; I125-M129 WeakPolarHBondContact O-CG 3.39Å; I125-M129 PolarHBondContact O-N 3.14Å; M129-G132 PolarHBondContact O-N 3.49Å; M129-N133 WeakPolarHBondContact O-CB 3.39Å; M129-N133 PolarHBondContact O-N 3.15Å; M129-N133 PolarHBondContact O-ND2 3.09Å; M129-I162 HydrophobicContact CE-CD1 4.03Å
130	M	88.3	Confident	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-55.2	176.5	-175.2	72.7	79	0	0	111.4	M126 L127 I128 G132 N133 L134 F163 R247 R250 L251	M126-M130 WeakPolarHBondContact O-CA 3.13Å; M126-M130 WeakPolarHBondContact O-CB 3.49Å; M126-M130 PolarHBondContact O-N 2.95Å; L127-M130 WeakPolarHBondContact O-CB 3.49Å; L127-M130 PolarHBondContact O-N 2.97Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 3.16Å; M130-G132 VanDerWaalsContact C-N 3.29Å; M130-G132 PolarHBondContact O-N 3.31Å; M130-N133 PolarHBondContact O-N 3.34Å; M130-N133 VanDerWaalsContact O-N 3.09Å; M130-L134 HydrophobicContact CG-CD1 3.82Å; M130-L134 HydrophobicContact CG-CG 4.25Å; M130-L134 WeakPolarHBondContact O-CG 3.31Å; M130-L134 PolarHBondContact O-N 2.98Å; M130-L134 HydrophobicContact SD-CD1 4.13Å; M130-L134 HydrophobicContact SD-CD2 4.43Å; M130-L134 HydrophobicContact SD-CG 4.24Å; M130-F163 HydrophobicContact CE-CE1 3.67Å; M130-F163 HydrophobicContact CE-CZ 4.34Å; M130-F163 HydrophobicContact SD-CE1 4.04Å; M130-F163 HydrophobicContact SD-CZ 4.14Å; M130-R247 HydrophobicContact CE-CB 3.84Å; M130-R247 VanDerWaalsContact CE-O 3.23Å; M130-R247 WeakPolarHBondContact CE-O 3.32Å; M130-R247 HydrophobicContact SD-CB 3.41Å; M130-R247 WeakPolarHBondContact SD-CB 3.39Å; M130-R247 HydrophobicContact SD-CG 4.49Å; M130-R250 HydrophobicContact CE-CB 3.88Å; M130-R250 HydrophobicContact CE-CG 4.36Å; M130-L251 HydrophobicContact CE-CB 4.48Å; M130-L251 HydrophobicContact CG-CB 3.84Å; M130-L251 HydrophobicContact CG-CD1 4.02Å; M130-L251 HydrophobicContact CG-CD2 4.29Å; M130-L251 HydrophobicContact CG-CG 4.26Å; M130-L251 HydrophobicContact SD-CB 4.49Å
131	M	88.6	Confident	90.1	Very high	75 Å²	75	38.2 Å²	38.2	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-57.7	-43.7	179.9	-174.2	62.9	76.6	0	0	111.2	L127 I128 N133 L134 I135	L127-M131 PolarHBondContact O-N 3.25Å; I128-M131 PolarHBondContact O-N 3.49Å; M131-N133 PolarHBondContact O-N 3.35Å; M131-L134 PolarHBondContact O-N 3.4Å; M131-I135 HydrophobicContact CG-CD1 4.11Å; M131-I135 WeakPolarHBondContact O-CG1 3.38Å; M131-I135 PolarHBondContact O-N 2.54Å; M131-I135 HydrophobicContact SD-CD1 4.1Å
132	G	91.3	Very high	90	Very high	27 Å²	27	32.5 Å²	32.5	28%	0.278	17%	0.171	S	C	.	.	H	α-helix	trans	-58.3	-47.3	173.9	0	0	0	0	0	112.8	I128 M129 M130 I135 I136	I128-G132 PolarHBondContact O-N 2.79Å; M129-G132 PolarHBondContact O-N 3.49Å; M130-G132 VanDerWaalsContact C-N 3.29Å; M130-G132 PolarHBondContact O-N 3.31Å; G132-I135 PolarHBondContact O-N 2.81Å; G132-I136 VanDerWaalsContact O-CB 3.26Å; G132-I136 WeakPolarHBondContact O-CB 3.31Å; G132-I136 WeakPolarHBondContact O-CD1 3.11Å; G132-I136 WeakPolarHBondContact O-CG1 3.36Å; G132-I136 PolarHBondContact O-N 3.1Å
133	N	90.4	Very high	89.9	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-44.5	179.2	-85.8	-87.7	0	0	0	113.1	M129 M130 M131 I135 I136 I137 S159	M129-N133 WeakPolarHBondContact O-CB 3.39Å; M129-N133 PolarHBondContact O-N 3.15Å; M129-N133 PolarHBondContact O-ND2 3.09Å; M130-N133 PolarHBondContact O-N 3.34Å; M130-N133 VanDerWaalsContact O-N 3.09Å; M131-N133 PolarHBondContact O-N 3.35Å; N133-I135 PolarHBondContact O-N 2.65Å; N133-I136 PolarHBondContact O-N 3.31Å; N133-I137 HydrophobicContact CB-CD1 3.85Å; N133-I137 HydrophobicContact CB-CG1 4.5Å; N133-I137 VanDerWaalsContact O-CB 3.24Å; N133-I137 WeakPolarHBondContact O-CB 3.48Å; N133-I137 VanDerWaalsContact O-CG1 3.25Å; N133-I137 WeakPolarHBondContact O-CG1 3.35Å; N133-I137 PolarHBondContact O-N 2.83Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.28Å; N133-S159 PolarHBondContact ND2-OG 3.36Å; N133-S159 PolarHBondContact OD1-OG 3.45Å
134	L	89.9	Confident	89.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-16.2	-178.6	-61.6	177.6	0	0	0	112.9	M130 M131 P138 L245 L248 L251 L284 W288	M130-L134 HydrophobicContact CG-CD1 3.82Å; M130-L134 HydrophobicContact CG-CG 4.25Å; M130-L134 WeakPolarHBondContact O-CG 3.31Å; M130-L134 PolarHBondContact O-N 2.98Å; M130-L134 HydrophobicContact SD-CD1 4.13Å; M130-L134 HydrophobicContact SD-CD2 4.43Å; M130-L134 HydrophobicContact SD-CG 4.24Å; M131-L134 PolarHBondContact O-N 3.4Å; L134-P138 WeakPolarHBondContact O-CD 3.26Å; L134-P138 WeakPolarHBondContact O-CG 3.27Å; L134-L245 HydrophobicContact CD2-CD2 4.09Å; L134-L248 HydrophobicContact CD1-CD1 4.47Å; L134-L251 HydrophobicContact CD1-CD2 3.57Å; L134-L284 HydrophobicContact CB-CD1 4.13Å; L134-L284 HydrophobicContact CB-CD2 4.5Å; L134-L284 HydrophobicContact CD1-CD2 4.22Å; L134-W288 HydrophobicContact CB-CZ2 4.06Å; L134-W288 HydrophobicContact CD1-CZ2 4.48Å; L134-W288 HydrophobicContact CD2-CH2 4.44Å; L134-W288 HydrophobicContact CD2-CZ2 3.91Å; L134-W288 HydrophobicContact CG-CZ2 4.34Å; L134-W288 PolarHBondContact O-NE1 3.33Å
135	I	92.2	Very high	88.9	Confident	74 Å²	74	37.1 Å²	37.1	38%	0.379	20%	0.204	S	C	.	.	H	α-helix	trans	-93.8	-44.2	171.1	-63.3	167.5	0	0	0	111.5	M131 G132 N133 V139 L284 H287	M131-I135 HydrophobicContact CG-CD1 4.11Å; M131-I135 WeakPolarHBondContact O-CG1 3.38Å; M131-I135 PolarHBondContact O-N 2.54Å; M131-I135 HydrophobicContact SD-CD1 4.1Å; G132-I135 PolarHBondContact O-N 2.81Å; N133-I135 PolarHBondContact O-N 2.65Å; I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-L284 HydrophobicContact CG1-CD1 4.29Å; I135-H287 PolarHBondContact O-NE2 3.06Å; I135-H287 VanDerWaalsContact O-NE2 3.11Å
136	I	91.9	Very high	87.8	Confident	70 Å²	70	39.9 Å²	39.9	36%	0.359	22%	0.216	S	C	.	.	H	α-helix	trans	-75.3	-38.5	-173.2	-69.3	168	0	0	0	112.1	G132 N133 V139 G140 W152 F155	G132-I136 VanDerWaalsContact O-CB 3.26Å; G132-I136 WeakPolarHBondContact O-CB 3.31Å; G132-I136 WeakPolarHBondContact O-CD1 3.11Å; G132-I136 WeakPolarHBondContact O-CG1 3.36Å; G132-I136 PolarHBondContact O-N 3.1Å; N133-I136 PolarHBondContact O-N 3.31Å; I136-V139 PolarHBondContact O-N 2.93Å; I136-G140 PolarHBondContact O-N 3.44Å; I136-W152 HydrophobicContact CG2-CH2 4.08Å; I136-W152 HydrophobicContact CG2-CZ3 3.59Å; I136-F155 HydrophobicContact CB-CE1 4.32Å; I136-F155 HydrophobicContact CB-CZ 4.25Å; I136-F155 HydrophobicContact CD1-CE2 4.15Å; I136-F155 HydrophobicContact CD1-CZ 3.84Å; I136-F155 HydrophobicContact CG2-CD1 4.34Å; I136-F155 HydrophobicContact CG2-CE1 3.67Å; I136-F155 HydrophobicContact CG2-CZ 3.96Å
137	I	89.6	Confident	86.5	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-50.9	-175.3	-68.3	169.3	0	0	0	112.2	N133 V139 G140 I141 R244 L245	N133-I137 HydrophobicContact CB-CD1 3.85Å; N133-I137 HydrophobicContact CB-CG1 4.5Å; N133-I137 VanDerWaalsContact O-CB 3.24Å; N133-I137 WeakPolarHBondContact O-CB 3.48Å; N133-I137 VanDerWaalsContact O-CG1 3.25Å; N133-I137 WeakPolarHBondContact O-CG1 3.35Å; N133-I137 PolarHBondContact O-N 2.83Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.28Å; I137-V139 VanDerWaalsContact C-N 3.32Å; I137-V139 PolarHBondContact O-N 3.36Å; I137-G140 PolarHBondContact O-N 2.9Å; I137-I141 HydrophobicContact CG2-CD1 3.5Å; I137-I141 HydrophobicContact CG2-CG1 4.32Å; I137-I141 WeakPolarHBondContact O-CB 3.29Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.43Å; I137-I141 PolarHBondContact O-N 2.85Å; I137-R244 HydrophobicContact CD1-CB 3.77Å; I137-R244 HydrophobicContact CD1-CG 4.38Å; I137-L245 HydrophobicContact CG2-CD2 4.47Å
138	P	91.4	Very high	85.4	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.032	25%	0.25	C	S	.	.	H	α-helix	trans	-56.9	-43.2	176.7	-25.5	35.1	0	0	0	112.9	L134 T142 L245 C291	L134-P138 WeakPolarHBondContact O-CD 3.26Å; L134-P138 WeakPolarHBondContact O-CG 3.27Å; P138-T142 WeakPolarHBondContact O-CB 3.47Å; P138-T142 WeakPolarHBondContact O-CG2 3.24Å; P138-T142 PolarHBondContact O-N 2.95Å; P138-T142 VanDerWaalsContact O-N 3.16Å; P138-T142 PolarHBondContact O-OG1 3.36Å; P138-L245 HydrophobicContact CG-CD2 4.11Å; P138-C291 HydrophobicContact CB-CB 3.82Å
139	V	92.9	Very high	84.9	Confident	18 Å²	18	43.5 Å²	43.5	11%	0.109	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-47.7	179.9	177.6	0	0	0	0	111.3	I135 I136 I137 T142 F143 F144 H287 W318 Y322	I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I136-V139 PolarHBondContact O-N 2.93Å; I137-V139 VanDerWaalsContact C-N 3.32Å; I137-V139 PolarHBondContact O-N 3.36Å; V139-T142 PolarHBondContact O-N 2.9Å; V139-T142 PolarHBondContact O-OG1 3.43Å; V139-F143 HydrophobicContact CG1-CD2 4.17Å; V139-F143 PolarHBondContact O-N 3.24Å; V139-F144 HydrophobicContact CG1-CZ 4.38Å; V139-H287 VanDerWaalsContact CG2-CE1 3.48Å; V139-H287 WeakPolarHBondContact CG2-CE1 3.43Å; V139-W318 HydrophobicContact CG1-CZ3 4.23Å; V139-Y322 HydrophobicContact CG2-CD2 4.48Å; V139-Y322 HydrophobicContact CG2-CE2 4.25Å
140	G	89.6	Confident	84.6	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-38.6	-179.4	0	0	0	0	0	113.2	I136 I137 T142 Q147	I136-G140 PolarHBondContact O-N 3.44Å; I137-G140 PolarHBondContact O-N 2.9Å; G140-T142 VanDerWaalsContact C-N 3.28Å; G140-T142 PolarHBondContact O-N 2.96Å; G140-Q147 PolarHBondContact O-NE2 3.01Å
141	I	86.9	Confident	84.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-37.6	175.4	-70.9	169.5	0	0	0	111.4	I137 Q147 K238 L242 L295	I137-I141 HydrophobicContact CG2-CD1 3.5Å; I137-I141 HydrophobicContact CG2-CG1 4.32Å; I137-I141 WeakPolarHBondContact O-CB 3.29Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.43Å; I137-I141 PolarHBondContact O-N 2.85Å; I141-Q147 PolarHBondContact O-NE2 3.25Å; I141-K238 HydrophobicContact CG2-CB 3.99Å; I141-K238 HydrophobicContact CG2-CD 4.37Å; I141-K238 HydrophobicContact CG2-CG 4.17Å; I141-K238 WeakPolarHBondContact O-CD 3.48Å; I141-K238 WeakPolarHBondContact O-CE 3.42Å; I141-K238 PolarHBondContact O-NZ 3.14Å; I141-L242 HydrophobicContact CD1-CD2 3.62Å; I141-L242 HydrophobicContact CD1-CG 4.04Å; I141-L295 HydrophobicContact CG2-CD1 4.35Å
142	T	89.9	Confident	84.4	Confident	6 Å²	6	49 Å²	49	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-93.3	-56.2	-171.7	49.4	0	0	0	0	114	P138 V139 G140 C291 L295 L298	P138-T142 WeakPolarHBondContact O-CB 3.47Å; P138-T142 WeakPolarHBondContact O-CG2 3.24Å; P138-T142 PolarHBondContact O-N 2.95Å; P138-T142 VanDerWaalsContact O-N 3.16Å; P138-T142 PolarHBondContact O-OG1 3.36Å; V139-T142 PolarHBondContact O-N 2.9Å; V139-T142 PolarHBondContact O-OG1 3.43Å; G140-T142 VanDerWaalsContact C-N 3.28Å; G140-T142 PolarHBondContact O-N 2.96Å; T142-C291 HydrophobicContact CG2-CB 4.31Å; T142-L295 HydrophobicContact CG2-CB 3.68Å; T142-L295 HydrophobicContact CG2-CD1 3.88Å; T142-L295 HydrophobicContact CG2-CG 4.21Å; T142-L298 WeakPolarHBondContact O-CD2 3.33Å
143	F	90.3	Very high	84	Confident	11 Å²	11	51.2 Å²	51.2	5%	0.048	29%	0.285	C	S	.	.	H	α-helix	trans	-94.9	-13.6	-167.9	-63.7	-75.3	0	0	0	114.4	V139 Y294 W318 Q321 Y322 A325	V139-F143 HydrophobicContact CG1-CD2 4.17Å; V139-F143 PolarHBondContact O-N 3.24Å; F143-Y294 AromaticContact CD1-CD1 3.65Å; F143-Y294 HydrophobicContact CD1-CD1 3.65Å; F143-Y294 AromaticContact CD1-CE1 3.59Å; F143-Y294 HydrophobicContact CD1-CE1 3.59Å; F143-Y294 HydrophobicContact CD1-CG 4.23Å; F143-Y294 AromaticContact CE1-CD1 3.23Å; F143-Y294 HydrophobicContact CE1-CD1 3.23Å; F143-Y294 AromaticContact CE1-CD2 3.84Å; F143-Y294 HydrophobicContact CE1-CD2 3.84Å; F143-Y294 AromaticContact CE1-CE1 3.59Å; F143-Y294 HydrophobicContact CE1-CE1 3.59Å; F143-Y294 HydrophobicContact CE1-CE2 4.14Å; F143-Y294 AromaticContact CE1-CG 3.37Å; F143-Y294 HydrophobicContact CE1-CG 3.37Å; F143-Y294 HydrophobicContact CE2-CD1 4.49Å; F143-Y294 HydrophobicContact CG-CD1 4.42Å; F143-Y294 HydrophobicContact CG-CE1 4.49Å; F143-Y294 AromaticContact CZ-CD1 3.71Å; F143-Y294 HydrophobicContact CZ-CD1 3.71Å; F143-Y294 HydrophobicContact CZ-CD2 4.42Å; F143-Y294 HydrophobicContact CZ-CE1 4.47Å; F143-Y294 AromaticContact CZ-CG 3.67Å; F143-Y294 HydrophobicContact CZ-CG 3.67Å; F143-W318 HydrophobicContact CB-CB 4.2Å; F143-W318 HydrophobicContact CB-CE3 4.47Å; F143-Q321 HydrophobicContact CD1-CB 3.9Å; F143-Q321 HydrophobicContact CE1-CB 3.71Å; F143-Y322 HydrophobicContact CD2-CD2 4.23Å; F143-Y322 AromaticContact CE2-CD2 3.64Å; F143-Y322 HydrophobicContact CE2-CD2 3.64Å; F143-Y322 HydrophobicContact CE2-CG 4.27Å; F143-Y322 HydrophobicContact CZ-CD2 4.13Å; F143-A325 HydrophobicContact CZ-CB 4.25Å
144	F	87.1	Confident	84	Confident	74 Å²	74	55.5 Å²	55.5	33%	0.325	31%	0.312	S	S	.	.			trans	-100.7	122.4	174.8	-57.2	-25.8	0	0	0	111.2	V139 Q147 W318	V139-F144 HydrophobicContact CG1-CZ 4.38Å; F144-Q147 WeakPolarHBondContact O-CG 3.49Å; F144-Q147 PolarHBondContact O-NE2 3.05Å; F144-W318 AromaticContact CE1-CD2 3.86Å; F144-W318 HydrophobicContact CE1-CD2 3.86Å; F144-W318 AromaticContact CE1-CE2 3.95Å; F144-W318 HydrophobicContact CE1-CE3 4.17Å; F144-W318 HydrophobicContact CE1-CG 4.21Å; F144-W318 HydrophobicContact CE1-CZ2 4.35Å
145	S	69.6	Low	83.9	Confident	114 Å²	114	58.5 Å²	58.5	80%	0.797	33%	0.325	S	S	*	.	S	Bend	trans	-75.1	-44.7	177.8	-47.5	0	0	0	0	111.9	Q147	S145-Q147 PolarHBondContact O-N 3.23Å
146	E	67.6	Low	83.7	Confident	149 Å²	149	55 Å²	55	70%	0.696	31%	0.307	S	S	*	.			trans	-97	65.9	-172	-65.6	-175.8	178.5	0	0	112.3	T148 T149	E146-T148 PolarHBondContact O-N 2.63Å; E146-T149 PolarHBondContact O-N 3.5Å; E146-T149 VanDerWaalsContact O-N 3.13Å; E146-T149 PolarHBondContact O-OG1 3.09Å
147	Q	62.3	Low	83.6	Confident	40 Å²	40	55.1 Å²	55.1	19%	0.187	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	5.8	178.6	-63.4	171.1	20.1	0	0	113.7	G140 I141 F144 S145	G140-Q147 PolarHBondContact O-NE2 3.01Å; I141-Q147 PolarHBondContact O-NE2 3.25Å; F144-Q147 WeakPolarHBondContact O-CG 3.49Å; F144-Q147 PolarHBondContact O-NE2 3.05Å; S145-Q147 PolarHBondContact O-N 3.23Å
148	T	64.7	Low	83.6	Confident	127 Å²	127	57.6 Å²	57.6	78%	0.779	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.7	171.3	48.7	0	0	0	0	113.2	E146 T150	E146-T148 PolarHBondContact O-N 2.63Å; T148-T150 PolarHBondContact O-N 3.09Å
149	T	79.3	Confident	83.6	Confident	67 Å²	67	57.3 Å²	57.3	41%	0.411	33%	0.329	S	S	.	.			trans	-56.8	130.1	175.8	-59.4	0	0	0	0	111	E146 T151 W152 L153	E146-T149 PolarHBondContact O-N 3.5Å; E146-T149 VanDerWaalsContact O-N 3.13Å; E146-T149 PolarHBondContact O-OG1 3.09Å; T149-T151 PolarHBondContact O-N 3.36Å; T149-T151 VanDerWaalsContact O-N 3.1Å; T149-W152 WeakPolarHBondContact O-CB 3.42Å; T149-W152 PolarHBondContact O-N 3.31Å; T149-L153 PolarHBondContact O-N 3.29Å; T149-L153 VanDerWaalsContact O-N 3.16Å
150	T	82.4	Confident	83.5	Confident	106 Å²	106	56.8 Å²	56.8	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-50.9	-40.7	-174.9	-46.1	0	0	0	0	113.1	T148 W152 L153 V154	T148-T150 PolarHBondContact O-N 3.09Å; T150-W152 PolarHBondContact O-N 3.32Å; T150-L153 PolarHBondContact O-N 2.74Å; T150-V154 HydrophobicContact CG2-CG2 4.34Å; T150-V154 WeakPolarHBondContact O-CB 3.46Å; T150-V154 VanDerWaalsContact O-CG2 3.31Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 3Å
151	T	86.4	Confident	83.6	Confident	113 Å²	113	60.4 Å²	60.4	69%	0.693	35%	0.348	S	S	*	.	H	α-helix	trans	-61	-39.6	178.1	-42	0	0	0	0	113.1	T149 F155	T149-T151 PolarHBondContact O-N 3.36Å; T149-T151 VanDerWaalsContact O-N 3.1Å; T151-F155 WeakPolarHBondContact O-CB 3.06Å; T151-F155 PolarHBondContact O-N 2.92Å
152	W	85.9	Confident	83.9	Confident	27 Å²	27	62.9 Å²	62.9	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-71.2	-41.7	177.8	179.1	-101	0	0	0	111.4	I136 T149 T150 F155 N156	I136-W152 HydrophobicContact CG2-CH2 4.08Å; I136-W152 HydrophobicContact CG2-CZ3 3.59Å; T149-W152 WeakPolarHBondContact O-CB 3.42Å; T149-W152 PolarHBondContact O-N 3.31Å; T150-W152 PolarHBondContact O-N 3.32Å; W152-F155 PolarHBondContact O-N 3.22Å; W152-N156 VanDerWaalsContact CE2-ND2 3.26Å; W152-N156 PolarHBondContact NE1-ND2 3.03Å; W152-N156 PolarHBondContact O-N 3.37Å
153	L	84.1	Confident	83.9	Confident	72 Å²	72	62.6 Å²	62.6	38%	0.377	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-47.5	174.5	179.9	62.9	0	0	0	111.6	T149 T150 F155 N156 V157 Y211	T149-L153 PolarHBondContact O-N 3.29Å; T149-L153 VanDerWaalsContact O-N 3.16Å; T150-L153 PolarHBondContact O-N 2.74Å; L153-F155 PolarHBondContact O-N 3.5Å; L153-N156 PolarHBondContact O-N 3.33Å; L153-V157 HydrophobicContact CD1-CG2 3.95Å; L153-V157 HydrophobicContact CG-CG2 4.41Å; L153-V157 WeakPolarHBondContact O-CB 3.41Å; L153-V157 VanDerWaalsContact O-CG2 3.29Å; L153-V157 WeakPolarHBondContact O-CG2 3.48Å; L153-V157 PolarHBondContact O-N 3.42Å; L153-Y211 HydrophobicContact CD1-CD1 4.18Å; L153-Y211 HydrophobicContact CD1-CD2 4.34Å; L153-Y211 HydrophobicContact CD1-CE1 3.7Å; L153-Y211 HydrophobicContact CD1-CE2 3.88Å; L153-Y211 HydrophobicContact CD1-CG 4.49Å
154	V	89.3	Confident	84	Confident	92 Å²	92	66.1 Å²	66.1	56%	0.558	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-43.2	177.3	169.2	0	0	0	0	111.3	T150 A158	T150-V154 HydrophobicContact CG2-CG2 4.34Å; T150-V154 WeakPolarHBondContact O-CB 3.46Å; T150-V154 VanDerWaalsContact O-CG2 3.31Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 3Å; V154-A158 VanDerWaalsContact O-CB 3.23Å; V154-A158 WeakPolarHBondContact O-CB 3.43Å; V154-A158 PolarHBondContact O-N 3.32Å
155	F	89.4	Confident	84.3	Confident	63 Å²	63	65.7 Å²	65.7	28%	0.276	38%	0.381	S	S	.	.	H	α-helix	trans	-58.9	-50.7	175.8	174.1	-97.5	0	0	0	112.1	I136 T151 W152 L153 S159	I136-F155 HydrophobicContact CB-CE1 4.32Å; I136-F155 HydrophobicContact CB-CZ 4.25Å; I136-F155 HydrophobicContact CD1-CE2 4.15Å; I136-F155 HydrophobicContact CD1-CZ 3.84Å; I136-F155 HydrophobicContact CG2-CD1 4.34Å; I136-F155 HydrophobicContact CG2-CE1 3.67Å; I136-F155 HydrophobicContact CG2-CZ 3.96Å; T151-F155 WeakPolarHBondContact O-CB 3.06Å; T151-F155 PolarHBondContact O-N 2.92Å; W152-F155 PolarHBondContact O-N 3.22Å; L153-F155 PolarHBondContact O-N 3.5Å; F155-S159 WeakPolarHBondContact O-CB 3.44Å; F155-S159 PolarHBondContact O-N 2.75Å
156	N	87.5	Confident	85.4	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-42.5	-179	-72	-26.1	0	0	0	112.4	W152 L153 S159 D160 Y211	W152-N156 VanDerWaalsContact CE2-ND2 3.26Å; W152-N156 PolarHBondContact NE1-ND2 3.03Å; W152-N156 PolarHBondContact O-N 3.37Å; L153-N156 PolarHBondContact O-N 3.33Å; N156-S159 PolarHBondContact O-N 2.97Å; N156-D160 VanDerWaalsContact O-CB 3.31Å; N156-D160 WeakPolarHBondContact O-CB 3.36Å; N156-D160 PolarHBondContact O-N 3.44Å; N156-Y211 HydrophobicContact CB-CE2 3.82Å; N156-Y211 PolarHBondContact ND2-OH 2.93Å
157	V	89	Confident	86.6	Confident	72 Å²	72	53.6 Å²	53.6	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-41.7	178.8	171.8	0	0	0	0	111.2	L153 T161	L153-V157 HydrophobicContact CD1-CG2 3.95Å; L153-V157 HydrophobicContact CG-CG2 4.41Å; L153-V157 WeakPolarHBondContact O-CB 3.41Å; L153-V157 VanDerWaalsContact O-CG2 3.29Å; L153-V157 WeakPolarHBondContact O-CG2 3.48Å; L153-V157 PolarHBondContact O-N 3.42Å; V157-T161 VanDerWaalsContact O-CB 3.3Å; V157-T161 WeakPolarHBondContact O-CB 3.21Å; V157-T161 PolarHBondContact O-N 2.71Å; V157-T161 PolarHBondContact O-OG1 2.95Å
158	A	90.8	Very high	88.1	Confident	52 Å²	52	55.9 Å²	55.9	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-64.9	-43.7	174.8	0	0	0	0	0	111.9	V154 T161 I162	V154-A158 VanDerWaalsContact O-CB 3.23Å; V154-A158 WeakPolarHBondContact O-CB 3.43Å; V154-A158 PolarHBondContact O-N 3.32Å; A158-T161 PolarHBondContact O-N 2.65Å; A158-I162 WeakPolarHBondContact O-CG1 3.33Å; A158-I162 PolarHBondContact O-N 2.83Å; A158-I162 VanDerWaalsContact O-N 3.13Å
159	S	90.9	Very high	89.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-57	175.5	179.6	0	0	0	0	111.6	N133 F155 N156 T161 I162 F163 R247	N133-S159 PolarHBondContact ND2-OG 3.36Å; N133-S159 PolarHBondContact OD1-OG 3.45Å; F155-S159 WeakPolarHBondContact O-CB 3.44Å; F155-S159 PolarHBondContact O-N 2.75Å; N156-S159 PolarHBondContact O-N 2.97Å; S159-T161 VanDerWaalsContact C-N 3.27Å; S159-T161 PolarHBondContact O-N 2.6Å; S159-I162 WeakPolarHBondContact O-CB 3.44Å; S159-I162 PolarHBondContact O-N 3.03Å; S159-F163 WeakPolarHBondContact O-CD2 3.44Å; S159-F163 PolarHBondContact O-N 2.94Å; S159-F163 WeakPolarHBondContact OG-CE2 3.43Å; S159-R247 PolarHBondContact OG-NH1 2.99Å
160	D	90.6	Very high	90	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.032	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-35.8	-178.4	-66.1	-8.5	0	0	0	111.7	N156 I162 F163 L164 P208 R244 R247	N156-D160 VanDerWaalsContact O-CB 3.31Å; N156-D160 WeakPolarHBondContact O-CB 3.36Å; N156-D160 PolarHBondContact O-N 3.44Å; D160-I162 PolarHBondContact O-N 2.84Å; D160-F163 PolarHBondContact O-N 2.86Å; D160-L164 WeakPolarHBondContact O-CB 3.07Å; D160-L164 PolarHBondContact O-N 2.99Å; D160-P208 WeakPolarHBondContact OD2-CB 3.18Å; D160-R244 IonicContact OD1-CZ 3.9Å; D160-R244 IonicContact OD1-NE 2.93Å; D160-R244 PolarHBondContact OD1-NE 2.94Å; D160-R244 IonicContact OD2-CZ 3.03Å; D160-R244 VanDerWaalsContact OD2-CZ 3.26Å; D160-R244 IonicContact OD2-NE 3.32Å; D160-R244 PolarHBondContact OD2-NE 3.46Å; D160-R244 IonicContact OD2-NH2 2.68Å; D160-R244 PolarHBondContact OD2-NH2 3.13Å; D160-R247 IonicContact OD1-CZ 3.3Å; D160-R247 IonicContact OD1-NH1 3.78Å; D160-R247 PolarHBondContact OD1-NH1 2.89Å; D160-R247 IonicContact OD1-NH2 3.46Å; D160-R247 PolarHBondContact OD1-NH2 2.88Å
161	T	92	Very high	90.5	Very high	77 Å²	77	46.3 Å²	46.3	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-43.6	172.7	-59.1	0	0	0	0	111.7	V157 A158 S159 L164 V165	V157-T161 VanDerWaalsContact O-CB 3.3Å; V157-T161 WeakPolarHBondContact O-CB 3.21Å; V157-T161 PolarHBondContact O-N 2.71Å; V157-T161 PolarHBondContact O-OG1 2.95Å; A158-T161 PolarHBondContact O-N 2.65Å; S159-T161 VanDerWaalsContact C-N 3.27Å; S159-T161 PolarHBondContact O-N 2.6Å; T161-L164 PolarHBondContact O-N 2.7Å; T161-V165 WeakPolarHBondContact O-CG2 3.33Å; T161-V165 PolarHBondContact O-N 2.79Å
162	I	92.1	Very high	90.9	Very high	52 Å²	52	45.5 Å²	45.5	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-42.3	176.9	-69	163.3	0	0	0	110.9	M126 M129 A158 S159 D160 L164 V165 D166	M126-I162 HydrophobicContact CE-CG2 4.21Å; M126-I162 HydrophobicContact SD-CG2 3.52Å; M126-I162 VanDerWaalsContact SD-CG2 3.52Å; M129-I162 HydrophobicContact CE-CD1 4.03Å; A158-I162 WeakPolarHBondContact O-CG1 3.33Å; A158-I162 PolarHBondContact O-N 2.83Å; A158-I162 VanDerWaalsContact O-N 3.13Å; S159-I162 WeakPolarHBondContact O-CB 3.44Å; S159-I162 PolarHBondContact O-N 3.03Å; D160-I162 PolarHBondContact O-N 2.84Å; I162-L164 VanDerWaalsContact C-N 3.27Å; I162-L164 PolarHBondContact O-N 3.19Å; I162-V165 PolarHBondContact O-N 2.82Å; I162-D166 PolarHBondContact O-N 2.69Å
163	F	91.4	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-23.2	175	-73.2	-73.3	0	0	0	113.8	M126 M130 S159 D160 L167 S206 R247	M126-F163 HydrophobicContact CE-CD1 3.34Å; M126-F163 HydrophobicContact CE-CE1 3.35Å; M126-F163 HydrophobicContact CE-CG 4.11Å; M126-F163 HydrophobicContact CE-CZ 4.14Å; M130-F163 HydrophobicContact CE-CE1 3.67Å; M130-F163 HydrophobicContact CE-CZ 4.34Å; M130-F163 HydrophobicContact SD-CE1 4.04Å; M130-F163 HydrophobicContact SD-CZ 4.14Å; S159-F163 WeakPolarHBondContact O-CD2 3.44Å; S159-F163 PolarHBondContact O-N 2.94Å; S159-F163 WeakPolarHBondContact OG-CE2 3.43Å; D160-F163 PolarHBondContact O-N 2.86Å; F163-L167 PolarHBondContact O-N 3.05Å; F163-S206 PolarHBondContact O-OG 2.93Å; F163-R247 VanDerWaalsContact CD2-CZ 3.43Å; F163-R247 VanDerWaalsContact CE2-NH1 3.28Å
164	L	91.8	Very high	91.6	Very high	84 Å²	84	41.9 Å²	41.9	44%	0.44	23%	0.233	S	C	.	.	H	α-helix	trans	-79	-36.9	172	-171.7	68.2	0	0	0	111.9	D160 T161 I162 L167 V168	D160-L164 WeakPolarHBondContact O-CB 3.07Å; D160-L164 PolarHBondContact O-N 2.99Å; T161-L164 PolarHBondContact O-N 2.7Å; I162-L164 VanDerWaalsContact C-N 3.27Å; I162-L164 PolarHBondContact O-N 3.19Å; L164-L167 HydrophobicContact CD1-CD2 4.07Å; L164-L167 WeakPolarHBondContact O-CB 3.44Å; L164-L167 PolarHBondContact O-N 3.45Å; L164-V168 WeakPolarHBondContact O-CG2 3.4Å; L164-V168 PolarHBondContact O-N 3.44Å
165	V	93.6	Very high	91.6	Very high	65 Å²	65	39.6 Å²	39.6	39%	0.394	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-46.7	169.8	174.2	0	0	0	0	110.1	W122 T161 I162 L167 V168 M169	W122-V165 HydrophobicContact CH2-CB 4.11Å; W122-V165 HydrophobicContact CH2-CG1 3.53Å; W122-V165 HydrophobicContact CZ2-CB 4.32Å; W122-V165 HydrophobicContact CZ2-CG1 3.87Å; W122-V165 HydrophobicContact CZ3-CG1 4.41Å; T161-V165 WeakPolarHBondContact O-CG2 3.33Å; T161-V165 PolarHBondContact O-N 2.79Å; I162-V165 PolarHBondContact O-N 2.82Å; V165-L167 VanDerWaalsContact C-N 3.3Å; V165-L167 PolarHBondContact O-N 2.9Å; V165-V168 CarbonylContact O-C 3.6Å; V165-V168 WeakPolarHBondContact O-CA 3.46Å; V165-V168 WeakPolarHBondContact O-CB 3.21Å; V165-V168 PolarHBondContact O-N 2.75Å; V165-M169 HydrophobicContact CG1-CG 4.14Å; V165-M169 WeakPolarHBondContact O-CG 3.33Å; V165-M169 PolarHBondContact O-N 2.84Å
166	D	93	Very high	91.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-42	176.4	-177.6	78.3	0	0	0	112.4	W122 M126 I162 V168 M169 N170 R250 Y254	W122-D166 HydrophobicContact CZ2-CB 3.96Å; W122-D166 PolarHBondContact NE1-OD1 2.68Å; M126-D166 HydrophobicContact CE-CB 3.6Å; M126-D166 HydrophobicContact SD-CB 3.92Å; I162-D166 PolarHBondContact O-N 2.69Å; D166-V168 VanDerWaalsContact C-N 3.29Å; D166-V168 PolarHBondContact O-N 3.06Å; D166-M169 PolarHBondContact O-N 2.94Å; D166-M169 VanDerWaalsContact O-N 3.16Å; D166-N170 PolarHBondContact O-N 3.49Å; D166-N170 PolarHBondContact O-ND2 3.41Å; D166-N170 VanDerWaalsContact O-ND2 3.13Å; D166-N170 PolarHBondContact OD2-ND2 2.91Å; D166-R250 WeakPolarHBondContact OD2-CD 3.36Å; D166-R250 IonicContact OD2-CZ 3.79Å; D166-R250 IonicContact OD2-NE 2.66Å; D166-R250 IonicContact OD2-NH1 3.19Å; D166-R250 PolarHBondContact OD2-NH1 2.96Å; D166-Y254 PolarHBondContact OD1-OH 2.85Å; D166-Y254 PolarHBondContact OD2-OH 2.8Å
167	L	92.8	Very high	91.2	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-56.2	-42	173.2	179.5	71.6	0	0	0	112	F163 L164 V165 F171 Y194 F199 D202 F203	F163-L167 PolarHBondContact O-N 3.05Å; L164-L167 HydrophobicContact CD1-CD2 4.07Å; L164-L167 WeakPolarHBondContact O-CB 3.44Å; L164-L167 PolarHBondContact O-N 3.45Å; V165-L167 VanDerWaalsContact C-N 3.3Å; V165-L167 PolarHBondContact O-N 2.9Å; L167-F171 WeakPolarHBondContact O-CD2 3.29Å; L167-Y194 HydrophobicContact CD1-CE1 4.08Å; L167-Y194 WeakPolarHBondContact CD1-OH 3.36Å; L167-F199 HydrophobicContact CD1-CD2 3.94Å; L167-F199 HydrophobicContact CD1-CE2 4.11Å; L167-F199 HydrophobicContact CD2-CE2 4.43Å; L167-D202 HydrophobicContact CD1-CB 3.88Å; L167-F203 HydrophobicContact CD2-CB 4.43Å; L167-F203 HydrophobicContact CD2-CD2 4.07Å
168	V	93.6	Very high	90.5	Very high	88 Å²	88	46.8 Å²	46.8	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-39.5	176.4	174.6	0	0	0	0	111.6	L164 V165 D166 N170 F171	L164-V168 WeakPolarHBondContact O-CG2 3.4Å; L164-V168 PolarHBondContact O-N 3.44Å; V165-V168 CarbonylContact O-C 3.6Å; V165-V168 WeakPolarHBondContact O-CA 3.46Å; V165-V168 WeakPolarHBondContact O-CB 3.21Å; V165-V168 PolarHBondContact O-N 2.75Å; D166-V168 VanDerWaalsContact C-N 3.29Å; D166-V168 PolarHBondContact O-N 3.06Å; V168-N170 VanDerWaalsContact C-N 3.32Å; V168-N170 PolarHBondContact O-N 2.66Å; V168-F171 WeakPolarHBondContact O-CB 3.43Å; V168-F171 PolarHBondContact O-N 3.06Å
169	M	92.1	Very high	89.7	Confident	35 Å²	35	53.1 Å²	53.1	17%	0.172	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-33.8	177	-62.4	-56.8	-91.8	0	0	111.8	I112 F118 V165 D166 F171 R172 T173	I112-M169 HydrophobicContact CD1-CB 3.91Å; I112-M169 HydrophobicContact CD1-CE 3.66Å; I112-M169 WeakPolarHBondContact CD1-O 3.43Å; I112-M169 HydrophobicContact CD1-SD 4.18Å; I112-M169 HydrophobicContact CG1-CE 4.33Å; F118-M169 HydrophobicContact CD1-CE 4.41Å; F118-M169 HydrophobicContact CE1-CE 3.36Å; F118-M169 HydrophobicContact CZ-CE 3.57Å; V165-M169 HydrophobicContact CG1-CG 4.14Å; V165-M169 WeakPolarHBondContact O-CG 3.33Å; V165-M169 PolarHBondContact O-N 2.84Å; D166-M169 PolarHBondContact O-N 2.94Å; D166-M169 VanDerWaalsContact O-N 3.16Å; M169-F171 PolarHBondContact O-N 3.01Å; M169-R172 CarbonylContact O-C 3.54Å; M169-R172 WeakPolarHBondContact O-CA 3.29Å; M169-R172 WeakPolarHBondContact O-CB 3.22Å; M169-R172 PolarHBondContact O-N 2.86Å; M169-T173 PolarHBondContact O-N 3.23Å; M169-T173 VanDerWaalsContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 2.87Å; M169-T173 VanDerWaalsContact O-OG1 3.1Å
170	N	91.5	Very high	88.6	Confident	18 Å²	18	55.7 Å²	55.7	10%	0.096	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-22.5	176.1	-65.5	-26.8	0	0	0	113.3	R119 D166 V168 R172 Y194	R119-N170 PolarHBondContact NH1-OD1 3.45Å; R119-N170 PolarHBondContact NH2-OD1 2.82Å; D166-N170 PolarHBondContact O-N 3.49Å; D166-N170 PolarHBondContact O-ND2 3.41Å; D166-N170 VanDerWaalsContact O-ND2 3.13Å; D166-N170 PolarHBondContact OD2-ND2 2.91Å; V168-N170 VanDerWaalsContact C-N 3.32Å; V168-N170 PolarHBondContact O-N 2.66Å; N170-R172 PolarHBondContact O-N 2.87Å; N170-Y194 HydrophobicContact CB-CD1 4.46Å; N170-Y194 HydrophobicContact CB-CE1 3.8Å; N170-Y194 HydrophobicContact CB-CE2 4.22Å
171	F	93.3	Very high	87.9	Confident	47 Å²	47	59.5 Å²	59.5	21%	0.206	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.9	167.8	-76	-78.1	0	0	0	114.2	L167 V168 M169 K191 Y194 L195 F199	L167-F171 WeakPolarHBondContact O-CD2 3.29Å; V168-F171 WeakPolarHBondContact O-CB 3.43Å; V168-F171 PolarHBondContact O-N 3.06Å; M169-F171 PolarHBondContact O-N 3.01Å; F171-K191 HydrophobicContact CD1-CB 4.25Å; F171-K191 HydrophobicContact CD1-CG 3.97Å; F171-K191 HydrophobicContact CE1-CG 4.05Å; F171-Y194 AromaticContact CD1-CD1 3.97Å; F171-Y194 HydrophobicContact CD1-CD1 3.97Å; F171-Y194 HydrophobicContact CD2-CD1 4.21Å; F171-Y194 HydrophobicContact CD2-CE1 4.19Å; F171-Y194 AromaticContact CE1-CD1 3.83Å; F171-Y194 HydrophobicContact CE1-CD1 3.83Å; F171-Y194 HydrophobicContact CE2-CD1 4.07Å; F171-Y194 AromaticContact CE2-CE1 3.97Å; F171-Y194 HydrophobicContact CE2-CE1 3.97Å; F171-Y194 HydrophobicContact CG-CD1 4.16Å; F171-Y194 AromaticContact CZ-CD1 3.88Å; F171-Y194 HydrophobicContact CZ-CD1 3.88Å; F171-Y194 HydrophobicContact CZ-CE1 4.16Å; F171-L195 HydrophobicContact CE1-CD2 3.89Å; F171-L195 HydrophobicContact CE1-CG 3.97Å; F171-L195 HydrophobicContact CZ-CD2 3.9Å; F171-L195 HydrophobicContact CZ-CG 4.48Å; F171-F199 AromaticContact CE2-CD2 3.9Å; F171-F199 HydrophobicContact CE2-CD2 3.9Å; F171-F199 AromaticContact CE2-CE2 3.89Å; F171-F199 HydrophobicContact CE2-CE2 3.89Å; F171-F199 AromaticContact CZ-CD2 3.51Å; F171-F199 HydrophobicContact CZ-CD2 3.51Å; F171-F199 AromaticContact CZ-CE2 3.65Å; F171-F199 HydrophobicContact CZ-CE2 3.65Å; F171-F199 HydrophobicContact CZ-CG 4.38Å
172	R	93.3	Very high	87.4	Confident	95 Å²	95	62.3 Å²	62.3	36%	0.358	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-8.3	-177.6	-62.3	-54	-163.3	129.3	6.9	114	Y109 I112 M169 N170	Y109-R172 PolarHBondContact O-NH1 2.93Å; I112-R172 HydrophobicContact CD1-CB 3.89Å; I112-R172 HydrophobicContact CG1-CB 4.17Å; I112-R172 PolarHBondContact N-O 3.32Å; M169-R172 CarbonylContact O-C 3.54Å; M169-R172 WeakPolarHBondContact O-CA 3.29Å; M169-R172 WeakPolarHBondContact O-CB 3.22Å; M169-R172 PolarHBondContact O-N 2.86Å; N170-R172 PolarHBondContact O-N 2.87Å
173	T	93.2	Very high	87.3	Confident	18 Å²	18	60.1 Å²	60.1	11%	0.11	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-78.6	128.2	176.5	-48.3	0	0	0	0	111.1	I112 P114 R119 M169 I190	I112-T173 WeakPolarHBondContact O-CA 3.22Å; P114-T173 HydrophobicContact CB-CG2 4.37Å; R119-T173 HydrophobicContact CG-CG2 4.43Å; R119-T173 PolarHBondContact NH1-OG1 3.34Å; M169-T173 PolarHBondContact O-N 3.23Å; M169-T173 VanDerWaalsContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 2.87Å; M169-T173 VanDerWaalsContact O-OG1 3.1Å; T173-I190 VanDerWaalsContact O-CG2 3.32Å; T173-I190 WeakPolarHBondContact O-CG2 3.25Å
174	G	91.6	Very high	87.3	Confident	5 Å²	5	63 Å²	63	5%	0.052	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.3	172.2	0	0	0	0	0	112.3	I112 I184	I112-G174 PolarHBondContact O-N 3.25Å; G174-I184 CarbonylContact C-O 3.58Å; G174-I184 VanDerWaalsContact CA-O 3.24Å; G174-I184 WeakPolarHBondContact CA-O 3.44Å
175	I	89.3	Confident	87.2	Confident	44 Å²	44	59.2 Å²	59.2	23%	0.226	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.6	-179.3	-62.7	162	0	0	0	108.6	I183 I184 I190 N193	I175-I183 CarbonylContact O-C 3.59Å; I175-I183 WeakPolarHBondContact O-CA 3.41Å; I175-I184 HydrophobicContact CB-CB 4.42Å; I175-I184 PolarHBondContact N-O 3.25Å; I175-I184 PolarHBondContact O-N 2.95Å; I175-I190 HydrophobicContact CD1-CB 4.44Å; I175-I190 HydrophobicContact CD1-CG1 4.28Å; I175-I190 HydrophobicContact CG1-CG1 4.42Å; I175-N193 HydrophobicContact CD1-CB 3.88Å
176	V	87.3	Confident	87.1	Confident	46 Å²	46	59.5 Å²	59.5	28%	0.279	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.1	166.7	-172.3	0	0	0	0	108	P114 Y115 I183	P114-V176 HydrophobicContact CB-CG2 4.02Å; P114-V176 HydrophobicContact CG-CG2 3.69Å; Y115-V176 HydrophobicContact CE1-CG2 4.24Å; Y115-V176 HydrophobicContact CE2-CG2 4.21Å; V176-I183 HydrophobicContact CG2-CG1 4.33Å
177	N	82.4	Confident	87	Confident	59 Å²	59	61.6 Å²	61.6	32%	0.316	32%	0.322	S	S	.	.			trans	-98.5	115	170.5	-174.4	36.5	0	0	0	110.5	E179 S180 S181 E182	N177-E179 VanDerWaalsContact C-N 3.27Å; N177-E179 PolarHBondContact O-N 3.38Å; N177-S180 PolarHBondContact ND2-N 2.71Å; N177-S180 PolarHBondContact ND2-OG 2.78Å; N177-S180 PolarHBondContact O-N 3.11Å; N177-S181 WeakPolarHBondContact O-CA 3.3Å; N177-S181 PolarHBondContact O-N 3.41Å; N177-E182 PolarHBondContact N-O 2.66Å
178	E	74.3	Confident	87	Confident	182 Å²	182	69.1 Å²	69.1	85%	0.85	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.2	-178.8	-66.2	169.6	-146.8	0	0	112.7
179	E	74.1	Confident	86.9	Confident	186 Å²	186	67.9 Å²	67.9	87%	0.869	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-29.6	-175.5	-65.1	-174	162.2	0	0	114.5	N177	N177-E179 VanDerWaalsContact C-N 3.27Å; N177-E179 PolarHBondContact O-N 3.38Å
180	S	67.9	Low	86.9	Confident	53 Å²	53	66.2 Å²	66.2	37%	0.371	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-6.5	-178.7	69.6	0	0	0	0	114.4	N177 E182	N177-S180 PolarHBondContact ND2-N 2.71Å; N177-S180 PolarHBondContact ND2-OG 2.78Å; N177-S180 PolarHBondContact O-N 3.11Å; S180-E182 PolarHBondContact O-N 2.88Å; S180-E182 WeakPolarHBondContact OG-CB 3.29Å; S180-E182 PolarHBondContact OG-N 2.8Å; S180-E182 PolarHBondContact OG-OE2 3.22Å
181	S	74.2	Confident	87	Confident	87 Å²	87	70.9 Å²	70.9	61%	0.608	36%	0.358	S	S	*	.			trans	56.1	11.2	-169.4	-58.4	0	0	0	0	114.7	N177	N177-S181 WeakPolarHBondContact O-CA 3.3Å; N177-S181 PolarHBondContact O-N 3.41Å
182	E	82.4	Confident	87	Confident	135 Å²	135	75 Å²	75	63%	0.631	38%	0.379	S	S	*	.			trans	-86.2	141	179	-64.7	-178.5	129.9	0	0	111.4	N177 S180	N177-E182 PolarHBondContact N-O 2.66Å; S180-E182 PolarHBondContact O-N 2.88Å; S180-E182 WeakPolarHBondContact OG-CB 3.29Å; S180-E182 PolarHBondContact OG-N 2.8Å; S180-E182 PolarHBondContact OG-OE2 3.22Å
183	I	89.7	Confident	86.9	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.036	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.3	178	-57.6	176.2	0	0	0	108.7	F91 R103 H113 P114 Y115 I175 V176 L185	F91-I183 HydrophobicContact CE1-CD1 4.01Å; F91-I183 HydrophobicContact CZ-CD1 3.71Å; R103-I183 VanDerWaalsContact CZ-O 3.24Å; R103-I183 PolarHBondContact NH1-O 2.9Å; R103-I183 PolarHBondContact NH2-O 3.32Å; H113-I183 WeakPolarHBondContact NE2-CD1 3.33Å; P114-I183 HydrophobicContact CG-CD1 4.47Å; P114-I183 HydrophobicContact CG-CG2 3.71Å; Y115-I183 HydrophobicContact CD2-CD1 3.86Å; Y115-I183 HydrophobicContact CE2-CD1 3.72Å; I175-I183 CarbonylContact O-C 3.59Å; I175-I183 WeakPolarHBondContact O-CA 3.41Å; V176-I183 HydrophobicContact CG2-CG1 4.33Å; I183-L185 HydrophobicContact CG2-CD2 3.93Å; I183-L185 HydrophobicContact CG2-CG 4.43Å; I183-L185 PolarHBondContact O-N 3.03Å
184	I	90.9	Very high	86.9	Confident	60 Å²	60	74.3 Å²	74.3	31%	0.308	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	117.6	-179	-57.1	176.2	0	0	0	109.4	G174 I175 V189	G174-I184 CarbonylContact C-O 3.58Å; G174-I184 VanDerWaalsContact CA-O 3.24Å; G174-I184 WeakPolarHBondContact CA-O 3.44Å; I175-I184 HydrophobicContact CB-CB 4.42Å; I175-I184 PolarHBondContact N-O 3.25Å; I175-I184 PolarHBondContact O-N 2.95Å; I184-V189 HydrophobicContact CD1-CG1 4.49Å; I184-V189 HydrophobicContact CG2-CB 3.92Å; I184-V189 HydrophobicContact CG2-CG1 3.76Å
185	L	91.4	Very high	87	Confident	5 Å²	5	77.2 Å²	77.2	3%	0.026	40%	0.395	C	S	.	.			trans	-109.3	-5.9	-179.5	-60.1	-179.7	0	0	0	114.5	R103 V104 A107 I111 I183 P187	R103-L185 HydrophobicContact CG-CD1 4.43Å; V104-L185 HydrophobicContact CB-CD1 4.36Å; V104-L185 HydrophobicContact CG2-CD1 3.64Å; A107-L185 HydrophobicContact CB-CB 3.58Å; A107-L185 HydrophobicContact CB-CD1 4.11Å; I111-L185 HydrophobicContact CG2-CB 4.47Å; I111-L185 HydrophobicContact CG2-CD2 4.1Å; I183-L185 HydrophobicContact CG2-CD2 3.93Å; I183-L185 HydrophobicContact CG2-CG 4.43Å; I183-L185 PolarHBondContact O-N 3.03Å; L185-P187 VanDerWaalsContact O-CD 3.31Å; L185-P187 WeakPolarHBondContact O-CD 3.27Å
186	D	91.4	Very high	87.2	Confident	71 Å²	71	83.8 Å²	83.8	38%	0.38	42%	0.422	S	S	.	.			trans	-63.8	117.9	178.9	179.3	-9.7	0	0	0	110.4	K188 V189 I190	D186-K188 PolarHBondContact O-N 3.09Å; D186-K188 VanDerWaalsContact O-N 3.09Å; D186-K188 VanDerWaalsContact OD1-CB 3.31Å; D186-K188 WeakPolarHBondContact OD1-CB 3.39Å; D186-K188 PolarHBondContact OD1-N 3.4Å; D186-V189 HydrophobicContact CB-CB 4.2Å; D186-V189 HydrophobicContact CB-CG2 3.94Å; D186-V189 PolarHBondContact O-N 2.88Å; D186-V189 VanDerWaalsContact O-N 3.1Å; D186-I190 WeakPolarHBondContact O-CG1 3.4Å; D186-I190 PolarHBondContact O-N 3.03Å
187	P	91	Very high	87.2	Confident	44 Å²	44	84.2 Å²	84.2	29%	0.286	43%	0.427	S	S	.	.	H	α-helix	trans	-56.1	-29	179.7	-18.8	26.8	0	0	0	113.9	I111 L185 K191	I111-P187 HydrophobicContact CD1-CB 4.18Å; I111-P187 HydrophobicContact CD1-CG 3.83Å; I111-P187 HydrophobicContact CG1-CG 4.27Å; L185-P187 VanDerWaalsContact O-CD 3.31Å; L185-P187 WeakPolarHBondContact O-CD 3.27Å; P187-K191 VanDerWaalsContact O-CB 3.22Å; P187-K191 WeakPolarHBondContact O-CB 3.4Å; P187-K191 PolarHBondContact O-N 2.82Å; P187-K191 VanDerWaalsContact O-N 3.08Å
188	K	91.6	Very high	87.5	Confident	166 Å²	166	87 Å²	87	72%	0.722	43%	0.433	S	S	*	.	H	α-helix	trans	-72	-44.3	178.8	-61.4	171	-176.7	168.1	0	111.2	D186 M192	D186-K188 PolarHBondContact O-N 3.09Å; D186-K188 VanDerWaalsContact O-N 3.09Å; D186-K188 VanDerWaalsContact OD1-CB 3.31Å; D186-K188 WeakPolarHBondContact OD1-CB 3.39Å; D186-K188 PolarHBondContact OD1-N 3.4Å; K188-M192 WeakPolarHBondContact O-CB 3.47Å; K188-M192 PolarHBondContact O-N 3.26Å
189	V	92.4	Very high	88.4	Confident	62 Å²	62	80.5 Å²	80.5	38%	0.376	40%	0.402	S	S	.	.	H	α-helix	trans	-69.9	-44.5	179.4	-176.9	0	0	0	0	110.2	I184 D186 K191 M192 N193	I184-V189 HydrophobicContact CD1-CG1 4.49Å; I184-V189 HydrophobicContact CG2-CB 3.92Å; I184-V189 HydrophobicContact CG2-CG1 3.76Å; D186-V189 HydrophobicContact CB-CB 4.2Å; D186-V189 HydrophobicContact CB-CG2 3.94Å; D186-V189 PolarHBondContact O-N 2.88Å; D186-V189 VanDerWaalsContact O-N 3.1Å; V189-K191 PolarHBondContact O-N 2.88Å; V189-M192 PolarHBondContact O-N 3.19Å; V189-N193 WeakPolarHBondContact O-CB 3.24Å; V189-N193 PolarHBondContact O-N 2.75Å
190	I	92.6	Very high	89.1	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-53.4	-54.7	173.5	-66.4	164.1	0	0	0	110.2	I111 T173 I175 D186 M192 N193 Y194	I111-I190 HydrophobicContact CD1-CD1 4.34Å; T173-I190 VanDerWaalsContact O-CG2 3.32Å; T173-I190 WeakPolarHBondContact O-CG2 3.25Å; I175-I190 HydrophobicContact CD1-CB 4.44Å; I175-I190 HydrophobicContact CD1-CG1 4.28Å; I175-I190 HydrophobicContact CG1-CG1 4.42Å; D186-I190 WeakPolarHBondContact O-CG1 3.4Å; D186-I190 PolarHBondContact O-N 3.03Å; I190-M192 PolarHBondContact O-N 3.48Å; I190-N193 PolarHBondContact O-N 3.38Å; I190-Y194 WeakPolarHBondContact O-CB 3.34Å; I190-Y194 PolarHBondContact O-N 3.12Å
191	K	92.9	Very high	90.1	Very high	116 Å²	116	75.5 Å²	75.5	50%	0.504	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-47.6	179.5	177.5	175.1	178.4	179.5	0	112.4	F171 P187 V189 L195	F171-K191 HydrophobicContact CD1-CB 4.25Å; F171-K191 HydrophobicContact CD1-CG 3.97Å; F171-K191 HydrophobicContact CE1-CG 4.05Å; P187-K191 VanDerWaalsContact O-CB 3.22Å; P187-K191 WeakPolarHBondContact O-CB 3.4Å; P187-K191 PolarHBondContact O-N 2.82Å; P187-K191 VanDerWaalsContact O-N 3.08Å; V189-K191 PolarHBondContact O-N 2.88Å; K191-L195 HydrophobicContact CG-CD1 3.87Å; K191-L195 HydrophobicContact CG-CG 4.41Å; K191-L195 WeakPolarHBondContact O-CB 3.48Å; K191-L195 VanDerWaalsContact O-CG 3.23Å; K191-L195 WeakPolarHBondContact O-CG 3.36Å; K191-L195 PolarHBondContact O-N 3.04Å
192	M	93.4	Very high	90.8	Very high	132 Å²	132	71.3 Å²	71.3	65%	0.65	35%	0.352	S	S	*	.	H	α-helix	trans	-67	-41.9	-176.4	-169.5	61	69.1	0	0	111.9	K188 V189 I190 K196	K188-M192 WeakPolarHBondContact O-CB 3.47Å; K188-M192 PolarHBondContact O-N 3.26Å; V189-M192 PolarHBondContact O-N 3.19Å; I190-M192 PolarHBondContact O-N 3.48Å; M192-K196 WeakPolarHBondContact O-CB 3.38Å; M192-K196 PolarHBondContact O-N 3.45Å; M192-K196 VanDerWaalsContact O-N 3.14Å
193	N	91.4	Very high	91.2	Very high	78 Å²	78	69 Å²	69	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-39.6	179	-164.3	48.4	0	0	0	112	I175 V189 I190 K196 S197	I175-N193 HydrophobicContact CD1-CB 3.88Å; V189-N193 WeakPolarHBondContact O-CB 3.24Å; V189-N193 PolarHBondContact O-N 2.75Å; I190-N193 PolarHBondContact O-N 3.38Å; N193-K196 PolarHBondContact O-N 3.18Å; N193-S197 WeakPolarHBondContact O-CB 3.47Å; N193-S197 PolarHBondContact O-N 3.12Å; N193-S197 VanDerWaalsContact O-N 3.15Å; N193-S197 PolarHBondContact O-OG 3.22Å
194	Y	92.3	Very high	91.1	Very high	21 Å²	21	72.3 Å²	72.3	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-42.8	177.2	-173.1	-129.6	0	0	0	112.4	L167 N170 F171 I190 K196 S197 W198 F199 D202	L167-Y194 HydrophobicContact CD1-CE1 4.08Å; L167-Y194 WeakPolarHBondContact CD1-OH 3.36Å; N170-Y194 HydrophobicContact CB-CD1 4.46Å; N170-Y194 HydrophobicContact CB-CE1 3.8Å; N170-Y194 HydrophobicContact CB-CE2 4.22Å; F171-Y194 AromaticContact CD1-CD1 3.97Å; F171-Y194 HydrophobicContact CD1-CD1 3.97Å; F171-Y194 HydrophobicContact CD2-CD1 4.21Å; F171-Y194 HydrophobicContact CD2-CE1 4.19Å; F171-Y194 AromaticContact CE1-CD1 3.83Å; F171-Y194 HydrophobicContact CE1-CD1 3.83Å; F171-Y194 HydrophobicContact CE2-CD1 4.07Å; F171-Y194 AromaticContact CE2-CE1 3.97Å; F171-Y194 HydrophobicContact CE2-CE1 3.97Å; F171-Y194 HydrophobicContact CG-CD1 4.16Å; F171-Y194 AromaticContact CZ-CD1 3.88Å; F171-Y194 HydrophobicContact CZ-CD1 3.88Å; F171-Y194 HydrophobicContact CZ-CE1 4.16Å; I190-Y194 WeakPolarHBondContact O-CB 3.34Å; I190-Y194 PolarHBondContact O-N 3.12Å; Y194-K196 VanDerWaalsContact C-N 3.29Å; Y194-K196 PolarHBondContact O-N 3.24Å; Y194-S197 PolarHBondContact O-N 2.94Å; Y194-S197 PolarHBondContact O-OG 3.33Å; Y194-W198 HydrophobicContact CD2-CB 4.36Å; Y194-W198 HydrophobicContact CE2-CB 3.95Å; Y194-W198 PolarHBondContact O-N 3.1Å; Y194-F199 HydrophobicContact CD1-CB 4.33Å; Y194-F199 HydrophobicContact CE1-CB 4.33Å; Y194-F199 HydrophobicContact CE1-CD2 4.15Å; Y194-F199 VanDerWaalsContact O-CB 3.25Å; Y194-F199 WeakPolarHBondContact O-CB 3.3Å; Y194-F199 PolarHBondContact O-N 2.91Å; Y194-F199 VanDerWaalsContact O-N 3.15Å; Y194-D202 WeakPolarHBondContact CE2-OD2 3.19Å; Y194-D202 VanDerWaalsContact OH-CB 3.3Å; Y194-D202 WeakPolarHBondContact OH-CB 3.49Å; Y194-D202 VanDerWaalsContact OH-CG 3.32Å; Y194-D202 PolarHBondContact OH-OD2 3.17Å
195	L	93.9	Very high	90.9	Very high	66 Å²	66	69.4 Å²	69.4	35%	0.346	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-36.1	174.6	-73.7	174.1	0	0	0	113	F171 K191 F199	F171-L195 HydrophobicContact CE1-CD2 3.89Å; F171-L195 HydrophobicContact CE1-CG 3.97Å; F171-L195 HydrophobicContact CZ-CD2 3.9Å; F171-L195 HydrophobicContact CZ-CG 4.48Å; K191-L195 HydrophobicContact CG-CD1 3.87Å; K191-L195 HydrophobicContact CG-CG 4.41Å; K191-L195 WeakPolarHBondContact O-CB 3.48Å; K191-L195 VanDerWaalsContact O-CG 3.23Å; K191-L195 WeakPolarHBondContact O-CG 3.36Å; K191-L195 PolarHBondContact O-N 3.04Å; L195-F199 HydrophobicContact CD2-CB 4.29Å; L195-F199 HydrophobicContact CD2-CD1 3.65Å; L195-F199 HydrophobicContact CD2-CD2 4.14Å; L195-F199 HydrophobicContact CD2-CE1 3.98Å; L195-F199 HydrophobicContact CD2-CE2 4.45Å; L195-F199 HydrophobicContact CD2-CG 3.74Å; L195-F199 HydrophobicContact CD2-CZ 4.37Å
196	K	92.9	Very high	90.8	Very high	182 Å²	182	69.2 Å²	69.2	79%	0.791	34%	0.342	S	S	*	.	H	α-helix	trans	-76.7	-21.7	179.4	-171.4	-178.4	174.7	-168.3	0	113.5	M192 N193 Y194	M192-K196 WeakPolarHBondContact O-CB 3.38Å; M192-K196 PolarHBondContact O-N 3.45Å; M192-K196 VanDerWaalsContact O-N 3.14Å; N193-K196 PolarHBondContact O-N 3.18Å; Y194-K196 VanDerWaalsContact C-N 3.29Å; Y194-K196 PolarHBondContact O-N 3.24Å
197	S	88.3	Confident	90.6	Very high	55 Å²	55	67.7 Å²	67.7	39%	0.385	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-94.8	-172.6	56.6	0	0	0	0	112.6	N193 Y194	N193-S197 WeakPolarHBondContact O-CB 3.47Å; N193-S197 PolarHBondContact O-N 3.12Å; N193-S197 VanDerWaalsContact O-N 3.15Å; N193-S197 PolarHBondContact O-OG 3.22Å; Y194-S197 PolarHBondContact O-N 2.94Å; Y194-S197 PolarHBondContact O-OG 3.33Å
198	W	88.7	Confident	90.3	Very high	119 Å²	119	67.5 Å²	67.5	45%	0.451	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.5	-165	-64.9	101.8	0	0	0	114.7	Y194 V200 V201 D202	Y194-W198 HydrophobicContact CD2-CB 4.36Å; Y194-W198 HydrophobicContact CE2-CB 3.95Å; Y194-W198 PolarHBondContact O-N 3.1Å; W198-V200 VanDerWaalsContact C-N 3.31Å; W198-V200 PolarHBondContact O-N 3.42Å; W198-V200 VanDerWaalsContact O-N 3.17Å; W198-V201 PolarHBondContact O-N 3.24Å; W198-V201 VanDerWaalsContact O-N 3.16Å; W198-D202 PolarHBondContact O-N 2.9Å
199	F	92	Very high	89.8	Confident	44 Å²	44	61.4 Å²	61.4	19%	0.193	31%	0.309	C	S	.	.	H	α-helix	trans	-50.4	-44.4	-174	171.1	-104.4	0	0	0	114	L167 F171 Y194 L195 V201 D202 F203	L167-F199 HydrophobicContact CD1-CD2 3.94Å; L167-F199 HydrophobicContact CD1-CE2 4.11Å; L167-F199 HydrophobicContact CD2-CE2 4.43Å; F171-F199 AromaticContact CE2-CD2 3.9Å; F171-F199 HydrophobicContact CE2-CD2 3.9Å; F171-F199 AromaticContact CE2-CE2 3.89Å; F171-F199 HydrophobicContact CE2-CE2 3.89Å; F171-F199 AromaticContact CZ-CD2 3.51Å; F171-F199 HydrophobicContact CZ-CD2 3.51Å; F171-F199 AromaticContact CZ-CE2 3.65Å; F171-F199 HydrophobicContact CZ-CE2 3.65Å; F171-F199 HydrophobicContact CZ-CG 4.38Å; Y194-F199 HydrophobicContact CD1-CB 4.33Å; Y194-F199 HydrophobicContact CE1-CB 4.33Å; Y194-F199 HydrophobicContact CE1-CD2 4.15Å; Y194-F199 VanDerWaalsContact O-CB 3.25Å; Y194-F199 WeakPolarHBondContact O-CB 3.3Å; Y194-F199 PolarHBondContact O-N 2.91Å; Y194-F199 VanDerWaalsContact O-N 3.15Å; L195-F199 HydrophobicContact CD2-CB 4.29Å; L195-F199 HydrophobicContact CD2-CD1 3.65Å; L195-F199 HydrophobicContact CD2-CD2 4.14Å; L195-F199 HydrophobicContact CD2-CE1 3.98Å; L195-F199 HydrophobicContact CD2-CE2 4.45Å; L195-F199 HydrophobicContact CD2-CG 3.74Å; L195-F199 HydrophobicContact CD2-CZ 4.37Å; F199-V201 PolarHBondContact O-N 3.46Å; F199-D202 PolarHBondContact O-N 3.21Å; F199-F203 HydrophobicContact CD2-CB 4.49Å; F199-F203 HydrophobicContact CE1-CB 4.4Å; F199-F203 HydrophobicContact CE1-CG 4.46Å; F199-F203 HydrophobicContact CE2-CB 4.1Å; F199-F203 HydrophobicContact CE2-CD2 4.04Å; F199-F203 HydrophobicContact CE2-CG 4.4Å; F199-F203 HydrophobicContact CZ-CB 4.05Å; F199-F203 AromaticContact CZ-CD2 3.69Å; F199-F203 HydrophobicContact CZ-CD2 3.69Å; F199-F203 HydrophobicContact CZ-CE2 4.3Å; F199-F203 AromaticContact CZ-CG 3.99Å; F199-F203 HydrophobicContact CZ-CG 3.99Å; F199-F203 WeakPolarHBondContact O-CB 3.26Å; F199-F203 PolarHBondContact O-N 2.89Å
200	V	90.6	Very high	89.2	Confident	86 Å²	86	59 Å²	59	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-43.1	-176	-179.5	0	0	0	0	111.6	W198 L204	W198-V200 VanDerWaalsContact C-N 3.31Å; W198-V200 PolarHBondContact O-N 3.42Å; W198-V200 VanDerWaalsContact O-N 3.17Å; V200-L204 HydrophobicContact CG1-CD1 4.08Å; V200-L204 WeakPolarHBondContact O-CB 3.27Å; V200-L204 VanDerWaalsContact O-CG 3.29Å; V200-L204 WeakPolarHBondContact O-CG 3.2Å; V200-L204 PolarHBondContact O-N 3.17Å; V200-L204 VanDerWaalsContact O-N 3.1Å
201	V	88.3	Confident	88.7	Confident	48 Å²	48	60.8 Å²	60.8	29%	0.291	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-45.6	177.4	-176.7	0	0	0	0	110	W198 F199 S205 L246 S249	W198-V201 PolarHBondContact O-N 3.24Å; W198-V201 VanDerWaalsContact O-N 3.16Å; F199-V201 PolarHBondContact O-N 3.46Å; V201-S205 WeakPolarHBondContact O-CB 3.3Å; V201-S205 PolarHBondContact O-N 3.44Å; V201-S205 PolarHBondContact O-OG 2.68Å; V201-L246 HydrophobicContact CG1-CB 4.17Å; V201-S249 WeakPolarHBondContact CG1-OG 3.42Å
202	D	89.6	Confident	88.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-45.9	179.6	-78.6	-29.9	0	0	0	111.9	L167 Y194 W198 F199 S205 S206 R250 R253	L167-D202 HydrophobicContact CD1-CB 3.88Å; Y194-D202 WeakPolarHBondContact CE2-OD2 3.19Å; Y194-D202 VanDerWaalsContact OH-CB 3.3Å; Y194-D202 WeakPolarHBondContact OH-CB 3.49Å; Y194-D202 VanDerWaalsContact OH-CG 3.32Å; Y194-D202 PolarHBondContact OH-OD2 3.17Å; W198-D202 PolarHBondContact O-N 2.9Å; F199-D202 PolarHBondContact O-N 3.21Å; D202-S205 PolarHBondContact O-N 3.22Å; D202-S205 PolarHBondContact O-OG 3.38Å; D202-S206 WeakPolarHBondContact O-CB 3.2Å; D202-S206 PolarHBondContact O-N 3.2Å; D202-S206 PolarHBondContact O-OG 3.34Å; D202-S206 VanDerWaalsContact O-OG 3.1Å; D202-R250 VanDerWaalsContact CB-NH2 3.29Å; D202-R250 VanDerWaalsContact CG-NH2 3.33Å; D202-R250 PolarHBondContact O-NH2 3.09Å; D202-R250 IonicContact OD1-CZ 2.68Å; D202-R250 VanDerWaalsContact OD1-CZ 3.26Å; D202-R250 IonicContact OD1-NE 2.71Å; D202-R250 PolarHBondContact OD1-NE 3.46Å; D202-R250 IonicContact OD1-NH2 3.45Å; D202-R250 PolarHBondContact OD1-NH2 3.09Å; D202-R250 IonicContact OD2-NE 3.11Å; D202-R253 VanDerWaalsContact CG-NH2 3.27Å; D202-R253 IonicContact OD1-CZ 3.44Å; D202-R253 IonicContact OD1-NH2 3.33Å; D202-R253 PolarHBondContact OD1-NH2 2.84Å; D202-R253 IonicContact OD2-CZ 3.45Å; D202-R253 IonicContact OD2-NH2 2.66Å; D202-R253 PolarHBondContact OD2-NH2 3.24Å
203	F	90.6	Very high	87.5	Confident	87 Å²	87	56.5 Å²	56.5	38%	0.382	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-51.2	177.2	178.1	-97.4	0	0	0	112.4	L167 F199 S205 S206 I207	L167-F203 HydrophobicContact CD2-CB 4.43Å; L167-F203 HydrophobicContact CD2-CD2 4.07Å; F199-F203 HydrophobicContact CD2-CB 4.49Å; F199-F203 HydrophobicContact CE1-CB 4.4Å; F199-F203 HydrophobicContact CE1-CG 4.46Å; F199-F203 HydrophobicContact CE2-CB 4.1Å; F199-F203 HydrophobicContact CE2-CD2 4.04Å; F199-F203 HydrophobicContact CE2-CG 4.4Å; F199-F203 HydrophobicContact CZ-CB 4.05Å; F199-F203 AromaticContact CZ-CD2 3.69Å; F199-F203 HydrophobicContact CZ-CD2 3.69Å; F199-F203 HydrophobicContact CZ-CE2 4.3Å; F199-F203 AromaticContact CZ-CG 3.99Å; F199-F203 HydrophobicContact CZ-CG 3.99Å; F199-F203 WeakPolarHBondContact O-CB 3.26Å; F199-F203 PolarHBondContact O-N 2.89Å; F203-S205 PolarHBondContact O-N 3.33Å; F203-S206 PolarHBondContact O-N 3.45Å; F203-I207 HydrophobicContact CD1-CD1 3.91Å; F203-I207 HydrophobicContact CD2-CD1 3.88Å; F203-I207 HydrophobicContact CE1-CD1 3.55Å; F203-I207 HydrophobicContact CE2-CD1 3.53Å; F203-I207 HydrophobicContact CG-CD1 4.07Å; F203-I207 HydrophobicContact CZ-CD1 3.36Å; F203-I207 WeakPolarHBondContact O-CG1 3.47Å; F203-I207 PolarHBondContact O-N 3.44Å
204	L	87.6	Confident	86.8	Confident	75 Å²	75	55.7 Å²	55.7	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-31.9	176.3	-71.5	172.7	0	0	0	112.3	V200 L246	V200-L204 HydrophobicContact CG1-CD1 4.08Å; V200-L204 WeakPolarHBondContact O-CB 3.27Å; V200-L204 VanDerWaalsContact O-CG 3.29Å; V200-L204 WeakPolarHBondContact O-CG 3.2Å; V200-L204 PolarHBondContact O-N 3.17Å; V200-L204 VanDerWaalsContact O-N 3.1Å; L204-L246 HydrophobicContact CB-CD1 4.48Å
205	S	86.4	Confident	86.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-78.8	-27.5	178.2	83.6	0	0	0	0	113.6	V201 D202 F203 R247 R250	V201-S205 WeakPolarHBondContact O-CB 3.3Å; V201-S205 PolarHBondContact O-N 3.44Å; V201-S205 PolarHBondContact O-OG 2.68Å; D202-S205 PolarHBondContact O-N 3.22Å; D202-S205 PolarHBondContact O-OG 3.38Å; F203-S205 PolarHBondContact O-N 3.33Å; S205-R247 VanDerWaalsContact O-CZ 3.23Å; S205-R247 PolarHBondContact O-NE 3.12Å; S205-R247 PolarHBondContact O-NH2 3.43Å; S205-R250 PolarHBondContact OG-NH2 3.27Å
206	S	87.9	Confident	85.6	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-87.1	-18.9	-177.7	-68.2	0	0	0	0	113.7	F163 D202 F203 R250	F163-S206 PolarHBondContact O-OG 2.93Å; D202-S206 WeakPolarHBondContact O-CB 3.2Å; D202-S206 PolarHBondContact O-N 3.2Å; D202-S206 PolarHBondContact O-OG 3.34Å; D202-S206 VanDerWaalsContact O-OG 3.1Å; F203-S206 PolarHBondContact O-N 3.45Å; S206-R250 PolarHBondContact OG-NH2 3.45Å
207	I	87.1	Confident	84.5	Confident	38 Å²	38	54.9 Å²	54.9	20%	0.195	28%	0.283	C	S	.	.	S	Bend	trans	-88.4	138.2	-174.5	-73.8	175.6	0	0	0	112.5	F203 V209 I212	F203-I207 HydrophobicContact CD1-CD1 3.91Å; F203-I207 HydrophobicContact CD2-CD1 3.88Å; F203-I207 HydrophobicContact CE1-CD1 3.55Å; F203-I207 HydrophobicContact CE2-CD1 3.53Å; F203-I207 HydrophobicContact CG-CD1 4.07Å; F203-I207 HydrophobicContact CZ-CD1 3.36Å; F203-I207 WeakPolarHBondContact O-CG1 3.47Å; F203-I207 PolarHBondContact O-N 3.44Å; I207-V209 HydrophobicContact CB-CG2 4.3Å; I207-V209 HydrophobicContact CG2-CG2 3.84Å; I207-V209 PolarHBondContact O-N 3.46Å; I207-I212 HydrophobicContact CG2-CD1 3.56Å
208	P	86	Confident	83.7	Confident	40 Å²	40	60.2 Å²	60.2	26%	0.26	30%	0.299	S	S	.	.			trans	-74.4	68.3	171.3	31.3	-36.3	0	0	0	112.1	D160 D210 Y211 I212	D160-P208 WeakPolarHBondContact OD2-CB 3.18Å; P208-D210 PolarHBondContact O-N 3.33Å; P208-Y211 HydrophobicContact CB-CD2 3.84Å; P208-Y211 PolarHBondContact O-N 3Å; P208-I212 HydrophobicContact CG-CD1 4.36Å; P208-I212 HydrophobicContact CG-CG1 4.48Å; P208-I212 WeakPolarHBondContact O-CG1 3.46Å; P208-I212 PolarHBondContact O-N 3.36Å
209	V	81.6	Confident	82.6	Confident	39 Å²	39	57.4 Å²	57.4	24%	0.236	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-33.6	-177.1	-176	0	0	0	0	111.7	I207 F213 L240 L243	I207-V209 HydrophobicContact CB-CG2 4.3Å; I207-V209 HydrophobicContact CG2-CG2 3.84Å; I207-V209 PolarHBondContact O-N 3.46Å; V209-F213 VanDerWaalsContact O-CB 3.31Å; V209-F213 WeakPolarHBondContact O-CB 3.42Å; V209-F213 PolarHBondContact O-N 3.48Å; V209-L240 HydrophobicContact CG1-CB 4.41Å; V209-L240 HydrophobicContact CG1-CD1 4.32Å; V209-L240 HydrophobicContact CG1-CD2 4.12Å; V209-L243 HydrophobicContact CB-CD1 4.49Å; V209-L243 HydrophobicContact CG1-CD1 4.46Å; V209-L243 HydrophobicContact CG2-CD1 4.36Å
210	D	79.3	Confident	81.1	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.059	33%	0.327	C	S	.	.	H	α-helix	trans	-67	-47	176.3	54.7	-5.5	0	0	0	113.1	P208 F213 L214 S241 R244	P208-D210 PolarHBondContact O-N 3.33Å; D210-F213 PolarHBondContact O-N 3.42Å; D210-L214 WeakPolarHBondContact O-CG 3.41Å; D210-L214 PolarHBondContact O-N 3.03Å; D210-S241 VanDerWaalsContact OD2-CB 3.27Å; D210-S241 WeakPolarHBondContact OD2-CB 3.24Å; D210-S241 PolarHBondContact OD2-OG 3.45Å; D210-R244 VanDerWaalsContact CG-NH1 3.34Å; D210-R244 IonicContact OD1-CZ 3.49Å; D210-R244 IonicContact OD1-NH1 3.3Å; D210-R244 PolarHBondContact OD1-NH1 3.3Å; D210-R244 IonicContact OD1-NH2 2.84Å; D210-R244 PolarHBondContact OD1-NH2 2.92Å; D210-R244 IonicContact OD2-CZ 3.64Å; D210-R244 IonicContact OD2-NH1 2.72Å; D210-R244 PolarHBondContact OD2-NH1 3.43Å; D210-R244 IonicContact OD2-NH2 3.63Å
211	Y	82.2	Confident	79.3	Confident	38 Å²	38	64.9 Å²	64.9	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-70.5	-36.9	176.4	-60.4	-50.7	0	0	0	112.8	L153 N156 P208 F213 L214 I215	L153-Y211 HydrophobicContact CD1-CD1 4.18Å; L153-Y211 HydrophobicContact CD1-CD2 4.34Å; L153-Y211 HydrophobicContact CD1-CE1 3.7Å; L153-Y211 HydrophobicContact CD1-CE2 3.88Å; L153-Y211 HydrophobicContact CD1-CG 4.49Å; N156-Y211 HydrophobicContact CB-CE2 3.82Å; N156-Y211 PolarHBondContact ND2-OH 2.93Å; P208-Y211 HydrophobicContact CB-CD2 3.84Å; P208-Y211 PolarHBondContact O-N 3Å; Y211-F213 VanDerWaalsContact C-N 3.35Å; Y211-L214 HydrophobicContact CD1-CD1 4.37Å; Y211-L214 PolarHBondContact O-N 2.98Å; Y211-I215 WeakPolarHBondContact O-CD1 3.31Å; Y211-I215 VanDerWaalsContact O-CG1 3.26Å; Y211-I215 WeakPolarHBondContact O-CG1 3.44Å; Y211-I215 PolarHBondContact O-N 2.86Å
212	I	83.1	Confident	77.7	Confident	88 Å²	88	66.4 Å²	66.4	45%	0.451	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-45.3	174.3	-68.1	168.2	0	0	0	110.1	I207 P208 L214 I215 V216	I207-I212 HydrophobicContact CG2-CD1 3.56Å; P208-I212 HydrophobicContact CG-CD1 4.36Å; P208-I212 HydrophobicContact CG-CG1 4.48Å; P208-I212 WeakPolarHBondContact O-CG1 3.46Å; P208-I212 PolarHBondContact O-N 3.36Å; I212-L214 PolarHBondContact O-N 2.87Å; I212-I215 PolarHBondContact O-N 3.48Å; I212-V216 HydrophobicContact CG2-CG2 4.35Å; I212-V216 WeakPolarHBondContact O-CB 3.37Å; I212-V216 VanDerWaalsContact O-CG2 3.32Å; I212-V216 WeakPolarHBondContact O-CG2 3.37Å; I212-V216 PolarHBondContact O-N 3.23Å
213	F	78.1	Confident	76.1	Confident	71 Å²	71	76 Å²	76	31%	0.311	40%	0.398	S	S	.	.	H	α-helix	trans	-58.9	-46.9	176	-172.2	-78.2	0	0	0	111.7	V209 D210 Y211 I215 V216 E217 I233 F236 T237 L240	V209-F213 VanDerWaalsContact O-CB 3.31Å; V209-F213 WeakPolarHBondContact O-CB 3.42Å; V209-F213 PolarHBondContact O-N 3.48Å; D210-F213 PolarHBondContact O-N 3.42Å; Y211-F213 VanDerWaalsContact C-N 3.35Å; F213-I215 VanDerWaalsContact C-N 3.32Å; F213-I215 PolarHBondContact O-N 2.96Å; F213-V216 PolarHBondContact O-N 3.32Å; F213-E217 HydrophobicContact CE1-CB 4.42Å; F213-E217 WeakPolarHBondContact O-CB 3.43Å; F213-E217 PolarHBondContact O-N 3.49Å; F213-I233 HydrophobicContact CD1-CG2 4.35Å; F213-I233 HydrophobicContact CE1-CG2 3.55Å; F213-I233 HydrophobicContact CZ-CG2 4.35Å; F213-F236 HydrophobicContact CE2-CD1 4.32Å; F213-F236 HydrophobicContact CE2-CE1 4.21Å; F213-F236 HydrophobicContact CZ-CD1 4.4Å; F213-T237 HydrophobicContact CD1-CG2 3.84Å; F213-T237 HydrophobicContact CE1-CG2 4.49Å; F213-T237 HydrophobicContact CG-CG2 4.48Å; F213-L240 HydrophobicContact CB-CD1 4.21Å; F213-L240 HydrophobicContact CD2-CD1 4.11Å; F213-L240 HydrophobicContact CG-CD1 4.17Å
214	L	75.9	Confident	74.2	Confident	61 Å²	61	77.2 Å²	77.2	32%	0.319	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-31.6	178.6	-73.3	167.7	0	0	0	113.7	D210 Y211 I212 K218 T237	D210-L214 WeakPolarHBondContact O-CG 3.41Å; D210-L214 PolarHBondContact O-N 3.03Å; Y211-L214 HydrophobicContact CD1-CD1 4.37Å; Y211-L214 PolarHBondContact O-N 2.98Å; I212-L214 PolarHBondContact O-N 2.87Å; L214-K218 WeakPolarHBondContact O-CB 3.45Å; L214-K218 WeakPolarHBondContact O-CG 3.44Å; L214-K218 PolarHBondContact O-N 3.04Å; L214-T237 HydrophobicContact CD2-CG2 4.04Å; L214-T237 HydrophobicContact CG-CG2 4Å
215	I	81.2	Confident	72.5	Confident	122 Å²	122	78 Å²	78	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-74.4	-43.5	175.2	-69.2	163.9	0	0	0	110.5	Y211 I212 F213 K218 G219	Y211-I215 WeakPolarHBondContact O-CD1 3.31Å; Y211-I215 VanDerWaalsContact O-CG1 3.26Å; Y211-I215 WeakPolarHBondContact O-CG1 3.44Å; Y211-I215 PolarHBondContact O-N 2.86Å; I212-I215 PolarHBondContact O-N 3.48Å; F213-I215 VanDerWaalsContact C-N 3.32Å; F213-I215 PolarHBondContact O-N 2.96Å; I215-K218 PolarHBondContact O-N 3.07Å; I215-G219 PolarHBondContact O-N 2.8Å; I215-G219 VanDerWaalsContact O-N 3.09Å
216	V	79.6	Confident	71	Confident	78 Å²	78	86.1 Å²	86.1	47%	0.473	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-42.8	176.7	170.1	0	0	0	0	111	I212 F213 G219 F220	I212-V216 HydrophobicContact CG2-CG2 4.35Å; I212-V216 WeakPolarHBondContact O-CB 3.37Å; I212-V216 VanDerWaalsContact O-CG2 3.32Å; I212-V216 WeakPolarHBondContact O-CG2 3.37Å; I212-V216 PolarHBondContact O-N 3.23Å; F213-V216 PolarHBondContact O-N 3.32Å; V216-G219 PolarHBondContact O-N 3.32Å; V216-G219 VanDerWaalsContact O-N 3.09Å; V216-F220 HydrophobicContact CG1-CD2 4.2Å; V216-F220 HydrophobicContact CG1-CE2 3.72Å; V216-F220 WeakPolarHBondContact O-CD2 3.23Å
217	E	70.8	Confident	69.4	Low	51 Å²	51	91.5 Å²	91.5	24%	0.238	48%	0.479	C	S	.	.	H	α-helix	trans	-60.4	-45.8	175.1	-176.2	177.6	-158.7	0	0	111.9	F213 G219 F220 I233	F213-E217 HydrophobicContact CE1-CB 4.42Å; F213-E217 WeakPolarHBondContact O-CB 3.43Å; F213-E217 PolarHBondContact O-N 3.49Å; E217-G219 PolarHBondContact O-N 2.83Å; E217-F220 PolarHBondContact O-N 2.98Å; E217-I233 WeakPolarHBondContact OE1-CD1 3.43Å; E217-I233 VanDerWaalsContact OE2-CG2 3.28Å; E217-I233 WeakPolarHBondContact OE2-CG2 3.29Å
218	K	70.6	Confident	67.9	Low	167 Å²	167	93.2 Å²	93.2	73%	0.726	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-16.2	174.1	-77	-178.8	175.7	-172.4	0	114.3	L214 I215	L214-K218 WeakPolarHBondContact O-CB 3.45Å; L214-K218 WeakPolarHBondContact O-CG 3.44Å; L214-K218 PolarHBondContact O-N 3.04Å; I215-K218 PolarHBondContact O-N 3.07Å
219	G	65.8	Low	66.6	Low	61 Å²	61	97.6 Å²	97.6	63%	0.629	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-15	172.3	0	0	0	0	0	114	I215 V216 E217	I215-G219 PolarHBondContact O-N 2.8Å; I215-G219 VanDerWaalsContact O-N 3.09Å; V216-G219 PolarHBondContact O-N 3.32Å; V216-G219 VanDerWaalsContact O-N 3.09Å; E217-G219 PolarHBondContact O-N 2.83Å
220	F	61.5	Low	65.6	Low	138 Å²	138	97.7 Å²	97.7	61%	0.605	52%	0.515	S	S	*	.	S	Bend	trans	-102.8	56.5	-179.3	-70.6	-64.4	0	0	0	112	V216 E217 S222	V216-F220 HydrophobicContact CG1-CD2 4.2Å; V216-F220 HydrophobicContact CG1-CE2 3.72Å; V216-F220 WeakPolarHBondContact O-CD2 3.23Å; E217-F220 PolarHBondContact O-N 2.98Å; F220-S222 PolarHBondContact O-N 3.17Å
221	D	53	Low	64.8	Low	149 Å²	149	102 Å²	102	80%	0.797	54%	0.537	S	S	*	.			trans	-58.5	119.7	177.6	-99.6	-29.6	0	0	0	112.1
222	S	53.1	Low	63.8	Low	80 Å²	80	109.4 Å²	109.4	56%	0.559	57%	0.565	S	S	*	*			trans	-166.7	133	167.8	-78.6	0	0	0	0	108.6	F220 V224 Y225	F220-S222 PolarHBondContact O-N 3.17Å; S222-V224 PolarHBondContact O-N 3.32Å; S222-Y225 WeakPolarHBondContact O-CD2 3.44Å
223	E	57.2	Low	63.1	Low	201 Å²	201	106.2 Å²	106.2	94%	0.939	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	12	-171.1	-55.9	-170.6	132.5	0	0	115.5
224	V	49.8	Very low	62.6	Low	113 Å²	113	106.5 Å²	106.5	69%	0.685	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-13	-175.2	-172.1	0	0	0	0	112.4	S222 K226	S222-V224 PolarHBondContact O-N 3.32Å; V224-K226 PolarHBondContact O-N 3.04Å
225	Y	52.7	Low	62.3	Low	92 Å²	92	106.6 Å²	106.6	36%	0.361	55%	0.552	S	S	.	*			trans	-76.6	58.5	-179.3	-74	-97.5	0	0	0	113.4	S222 R229	S222-Y225 WeakPolarHBondContact O-CD2 3.44Å; Y225-R229 HydrophobicContact CD1-CG 4.4Å; Y225-R229 VanDerWaalsContact CE1-NH1 3.28Å
226	K	54.3	Low	62	Low	169 Å²	169	105.5 Å²	105.5	74%	0.735	54%	0.543	S	S	*	.			trans	-51.4	140	176.1	-66.5	-177.2	178.8	-178.9	0	111.6	V224 A228 R229	V224-K226 PolarHBondContact O-N 3.04Å; K226-A228 PolarHBondContact O-N 3.45Å; K226-R229 WeakPolarHBondContact O-CB 3.46Å; K226-R229 PolarHBondContact O-N 2.83Å
227	T	55.2	Low	61.8	Low	115 Å²	115	102.5 Å²	102.5	71%	0.706	53%	0.525	S	S	*	.	H	α-helix	trans	-41.9	-36.7	-168.5	49.2	0	0	0	0	116.8	R229 A230 L231	T227-R229 PolarHBondContact O-N 3.18Å; T227-A230 PolarHBondContact O-N 3.29Å; T227-A230 VanDerWaalsContact O-N 3.15Å; T227-L231 PolarHBondContact O-N 2.76Å
228	A	54.5	Low	61.9	Low	74 Å²	74	101.2 Å²	101.2	61%	0.612	52%	0.519	S	S	*	.	H	α-helix	trans	-60.1	-28.9	176.2	0	0	0	0	0	113.9	K226	K226-A228 PolarHBondContact O-N 3.45Å
229	R	59.5	Low	62.3	Low	132 Å²	132	97.3 Å²	97.3	50%	0.498	51%	0.505	S	S	.	.	H	α-helix	trans	-76.6	-42.8	173.2	-168.6	174.1	-178.5	-172	-0.8	111.1	Y225 K226 T227 L231 R232 I233	Y225-R229 HydrophobicContact CD1-CG 4.4Å; Y225-R229 VanDerWaalsContact CE1-NH1 3.28Å; K226-R229 WeakPolarHBondContact O-CB 3.46Å; K226-R229 PolarHBondContact O-N 2.83Å; T227-R229 PolarHBondContact O-N 3.18Å; R229-L231 PolarHBondContact O-N 2.87Å; R229-R232 WeakPolarHBondContact O-CB 3.34Å; R229-R232 PolarHBondContact O-N 3.42Å; R229-R232 VanDerWaalsContact O-N 3.15Å; R229-I233 HydrophobicContact CG-CD1 3.95Å; R229-I233 WeakPolarHBondContact O-CG1 3.39Å; R229-I233 PolarHBondContact O-N 2.99Å
230	A	60.4	Low	62.9	Low	41 Å²	41	95.9 Å²	95.9	34%	0.339	48%	0.483	S	S	.	.	H	α-helix	trans	-59.4	-43.7	176.7	0	0	0	0	0	112.3	T227 R232 I233 V234	T227-A230 PolarHBondContact O-N 3.29Å; T227-A230 VanDerWaalsContact O-N 3.15Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 2.99Å; A230-I233 PolarHBondContact O-N 2.79Å; A230-I233 VanDerWaalsContact O-N 3.07Å; A230-V234 WeakPolarHBondContact O-CG2 3.47Å; A230-V234 PolarHBondContact O-N 2.99Å
231	L	61.7	Low	63.6	Low	101 Å²	101	89.5 Å²	89.5	53%	0.529	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-35.6	175.4	-73.3	173.9	0	0	0	113.2	T227 R229 R235	T227-L231 PolarHBondContact O-N 2.76Å; R229-L231 PolarHBondContact O-N 2.87Å; L231-R235 WeakPolarHBondContact O-CG 3.3Å; L231-R235 PolarHBondContact O-N 2.95Å; L231-R235 PolarHBondContact O-NE 3.37Å
232	R	62.2	Low	64.8	Low	193 Å²	193	84.7 Å²	84.7	73%	0.728	43%	0.429	S	S	*	.	H	α-helix	trans	-70.1	-34.9	174.5	-170	-179.2	-61.6	-177.9	0.5	111.6	R229 A230 R235 F236	R229-R232 WeakPolarHBondContact O-CB 3.34Å; R229-R232 PolarHBondContact O-N 3.42Å; R229-R232 VanDerWaalsContact O-N 3.15Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 2.99Å; R232-R235 WeakPolarHBondContact O-CB 3.39Å; R232-R235 PolarHBondContact O-N 3.49Å; R232-F236 PolarHBondContact O-N 3.45Å
233	I	68.1	Low	66.3	Low	22 Å²	22	83.6 Å²	83.6	11%	0.113	42%	0.417	C	S	.	.	H	α-helix	trans	-75.3	-38.6	-179.9	-69	171.6	0	0	0	111.6	F213 E217 R229 A230 R235 F236 T237	F213-I233 HydrophobicContact CD1-CG2 4.35Å; F213-I233 HydrophobicContact CE1-CG2 3.55Å; F213-I233 HydrophobicContact CZ-CG2 4.35Å; E217-I233 WeakPolarHBondContact OE1-CD1 3.43Å; E217-I233 VanDerWaalsContact OE2-CG2 3.28Å; E217-I233 WeakPolarHBondContact OE2-CG2 3.29Å; R229-I233 HydrophobicContact CG-CD1 3.95Å; R229-I233 WeakPolarHBondContact O-CG1 3.39Å; R229-I233 PolarHBondContact O-N 2.99Å; A230-I233 PolarHBondContact O-N 2.79Å; A230-I233 VanDerWaalsContact O-N 3.07Å; I233-R235 PolarHBondContact O-N 2.96Å; I233-F236 CarbonylContact O-C 3.57Å; I233-F236 WeakPolarHBondContact O-CA 3.43Å; I233-F236 WeakPolarHBondContact O-CB 3.42Å; I233-F236 PolarHBondContact O-N 2.81Å; I233-T237 HydrophobicContact CG2-CG2 4.46Å; I233-T237 PolarHBondContact O-N 3.05Å; I233-T237 PolarHBondContact O-OG1 3.08Å
234	V	67.4	Low	67.5	Low	77 Å²	77	74.2 Å²	74.2	47%	0.467	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-30.9	170.5	172.1	0	0	0	0	112.1	A230 T237 K238	A230-V234 WeakPolarHBondContact O-CG2 3.47Å; A230-V234 PolarHBondContact O-N 2.99Å; V234-T237 PolarHBondContact O-OG1 3.35Å; V234-K238 WeakPolarHBondContact O-CG 3.17Å; V234-K238 PolarHBondContact O-N 3.43Å
235	R	70.5	Confident	69	Low	62 Å²	62	70.4 Å²	70.4	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-72.3	-37.5	170.4	-68.2	174.7	-139.4	-159.5	0.5	112.2	L231 R232 I233 K238 I239 L299 D301	L231-R235 WeakPolarHBondContact O-CG 3.3Å; L231-R235 PolarHBondContact O-N 2.95Å; L231-R235 PolarHBondContact O-NE 3.37Å; R232-R235 WeakPolarHBondContact O-CB 3.39Å; R232-R235 PolarHBondContact O-N 3.49Å; I233-R235 PolarHBondContact O-N 2.96Å; R235-K238 PolarHBondContact O-N 2.86Å; R235-I239 WeakPolarHBondContact O-CG1 3.27Å; R235-I239 PolarHBondContact O-N 3.21Å; R235-L299 HydrophobicContact CB-CD2 3.81Å; R235-L299 HydrophobicContact CG-CD2 3.8Å; R235-L299 PolarHBondContact NH1-O 3.14Å; R235-D301 IonicContact CZ-OD1 3.29Å; R235-D301 VanDerWaalsContact CZ-OD1 3.29Å; R235-D301 IonicContact CZ-OD2 3.15Å; R235-D301 VanDerWaalsContact NH1-CG 3.34Å; R235-D301 IonicContact NH1-OD1 3.46Å; R235-D301 PolarHBondContact NH1-OD1 2.92Å; R235-D301 IonicContact NH1-OD2 2.7Å; R235-D301 PolarHBondContact NH1-OD2 3.12Å; R235-D301 IonicContact NH2-OD1 2.76Å; R235-D301 PolarHBondContact NH2-OD1 3.4Å; R235-D301 IonicContact NH2-OD2 2.76Å; R235-D301 PolarHBondContact NH2-OD2 3.27Å
236	F	74.5	Confident	70.5	Confident	100 Å²	100	69.5 Å²	69.5	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-41.1	177.9	-167.4	-111.6	0	0	0	112.4	F213 R232 I233 K238 I239 L240	F213-F236 HydrophobicContact CE2-CD1 4.32Å; F213-F236 HydrophobicContact CE2-CE1 4.21Å; F213-F236 HydrophobicContact CZ-CD1 4.4Å; R232-F236 PolarHBondContact O-N 3.45Å; I233-F236 CarbonylContact O-C 3.57Å; I233-F236 WeakPolarHBondContact O-CA 3.43Å; I233-F236 WeakPolarHBondContact O-CB 3.42Å; I233-F236 PolarHBondContact O-N 2.81Å; F236-K238 VanDerWaalsContact C-N 3.34Å; F236-K238 PolarHBondContact O-N 3.01Å; F236-I239 WeakPolarHBondContact O-CB 3.39Å; F236-I239 PolarHBondContact O-N 3.47Å; F236-I239 VanDerWaalsContact O-N 3.09Å; F236-L240 HydrophobicContact CD1-CD1 3.81Å; F236-L240 HydrophobicContact CD1-CG 4.23Å; F236-L240 HydrophobicContact CE1-CD1 3.72Å; F236-L240 HydrophobicContact CE1-CD2 4.26Å; F236-L240 HydrophobicContact CE1-CG 4.07Å; F236-L240 HydrophobicContact CZ-CD2 4.36Å; F236-L240 WeakPolarHBondContact O-CG 3.43Å; F236-L240 PolarHBondContact O-N 3.28Å
237	T	74.6	Confident	71.8	Confident	14 Å²	14	61.4 Å²	61.4	9%	0.086	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-36.1	175.6	55.4	0	0	0	0	112.1	F213 L214 I233 V234 I239 L240 S241	F213-T237 HydrophobicContact CD1-CG2 3.84Å; F213-T237 HydrophobicContact CE1-CG2 4.49Å; F213-T237 HydrophobicContact CG-CG2 4.48Å; L214-T237 HydrophobicContact CD2-CG2 4.04Å; L214-T237 HydrophobicContact CG-CG2 4Å; I233-T237 HydrophobicContact CG2-CG2 4.46Å; I233-T237 PolarHBondContact O-N 3.05Å; I233-T237 PolarHBondContact O-OG1 3.08Å; V234-T237 PolarHBondContact O-OG1 3.35Å; T237-I239 VanDerWaalsContact C-N 3.31Å; T237-I239 PolarHBondContact O-N 2.96Å; T237-L240 PolarHBondContact O-N 2.9Å; T237-S241 WeakPolarHBondContact O-CB 3.48Å; T237-S241 PolarHBondContact O-N 2.84Å
238	K	73	Confident	73	Confident	24 Å²	24	57.3 Å²	57.3	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-40	168.9	-76.7	-174	179.8	-146.6	0	112.7	I141 V234 R235 F236 S241 L242	I141-K238 HydrophobicContact CG2-CB 3.99Å; I141-K238 HydrophobicContact CG2-CD 4.37Å; I141-K238 HydrophobicContact CG2-CG 4.17Å; I141-K238 WeakPolarHBondContact O-CD 3.48Å; I141-K238 WeakPolarHBondContact O-CE 3.42Å; I141-K238 PolarHBondContact O-NZ 3.14Å; V234-K238 WeakPolarHBondContact O-CG 3.17Å; V234-K238 PolarHBondContact O-N 3.43Å; R235-K238 PolarHBondContact O-N 2.86Å; F236-K238 VanDerWaalsContact C-N 3.34Å; F236-K238 PolarHBondContact O-N 3.01Å; K238-S241 WeakPolarHBondContact O-CB 3.35Å; K238-S241 PolarHBondContact O-N 3.48Å; K238-L242 PolarHBondContact O-N 3.24Å
239	I	79.4	Confident	74.3	Confident	86 Å²	86	55 Å²	55	44%	0.441	27%	0.267	S	S	.	.	H	α-helix	trans	-69.8	-42.3	176.1	-65	165.4	0	0	0	111.2	R235 F236 T237 S241 L242	R235-I239 WeakPolarHBondContact O-CG1 3.27Å; R235-I239 PolarHBondContact O-N 3.21Å; F236-I239 WeakPolarHBondContact O-CB 3.39Å; F236-I239 PolarHBondContact O-N 3.47Å; F236-I239 VanDerWaalsContact O-N 3.09Å; T237-I239 VanDerWaalsContact C-N 3.31Å; T237-I239 PolarHBondContact O-N 2.96Å; I239-S241 VanDerWaalsContact C-N 3.27Å; I239-S241 PolarHBondContact O-N 2.99Å; I239-L242 WeakPolarHBondContact O-CB 3.46Å; I239-L242 PolarHBondContact O-N 2.95Å
240	L	78.9	Confident	75.4	Confident	30 Å²	30	48.8 Å²	48.8	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-35.6	173.8	-67.5	172.9	0	0	0	112.2	V209 F213 F236 T237 L242 L243	V209-L240 HydrophobicContact CG1-CB 4.41Å; V209-L240 HydrophobicContact CG1-CD1 4.32Å; V209-L240 HydrophobicContact CG1-CD2 4.12Å; F213-L240 HydrophobicContact CB-CD1 4.21Å; F213-L240 HydrophobicContact CD2-CD1 4.11Å; F213-L240 HydrophobicContact CG-CD1 4.17Å; F236-L240 HydrophobicContact CD1-CD1 3.81Å; F236-L240 HydrophobicContact CD1-CG 4.23Å; F236-L240 HydrophobicContact CE1-CD1 3.72Å; F236-L240 HydrophobicContact CE1-CD2 4.26Å; F236-L240 HydrophobicContact CE1-CG 4.07Å; F236-L240 HydrophobicContact CZ-CD2 4.36Å; F236-L240 WeakPolarHBondContact O-CG 3.43Å; F236-L240 PolarHBondContact O-N 3.28Å; T237-L240 PolarHBondContact O-N 2.9Å; L240-L242 PolarHBondContact O-N 3.1Å; L240-L243 HydrophobicContact CD2-CD1 4.17Å; L240-L243 VanDerWaalsContact O-CB 3.23Å; L240-L243 WeakPolarHBondContact O-CB 3.4Å; L240-L243 VanDerWaalsContact O-CG 3.25Å; L240-L243 WeakPolarHBondContact O-CG 3.47Å; L240-L243 PolarHBondContact O-N 3.39Å
241	S	75.6	Confident	76.3	Confident	4 Å²	4	47 Å²	47	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-28.8	177.2	-151.9	0	0	0	0	112.6	D210 T237 K238 I239 L243 R244	D210-S241 VanDerWaalsContact OD2-CB 3.27Å; D210-S241 WeakPolarHBondContact OD2-CB 3.24Å; D210-S241 PolarHBondContact OD2-OG 3.45Å; T237-S241 WeakPolarHBondContact O-CB 3.48Å; T237-S241 PolarHBondContact O-N 2.84Å; K238-S241 WeakPolarHBondContact O-CB 3.35Å; K238-S241 PolarHBondContact O-N 3.48Å; I239-S241 VanDerWaalsContact C-N 3.27Å; I239-S241 PolarHBondContact O-N 2.99Å; S241-L243 PolarHBondContact O-N 2.9Å; S241-R244 WeakPolarHBondContact O-CB 3.49Å; S241-R244 PolarHBondContact O-N 3.34Å; S241-R244 PolarHBondContact OG-NH1 3.3Å
242	L	79.3	Confident	77.3	Confident	48 Å²	48	45.6 Å²	45.6	25%	0.251	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-68.8	-12	173.9	-63.4	169.9	0	0	0	113.6	I141 K238 I239 L240 R244 L245 L295	I141-L242 HydrophobicContact CD1-CD2 3.62Å; I141-L242 HydrophobicContact CD1-CG 4.04Å; K238-L242 PolarHBondContact O-N 3.24Å; I239-L242 WeakPolarHBondContact O-CB 3.46Å; I239-L242 PolarHBondContact O-N 2.95Å; L240-L242 PolarHBondContact O-N 3.1Å; L242-R244 PolarHBondContact O-N 2.99Å; L242-L245 HydrophobicContact CD2-CD1 3.83Å; L242-L245 HydrophobicContact CD2-CG 4.43Å; L242-L245 VanDerWaalsContact O-CB 3.29Å; L242-L245 WeakPolarHBondContact O-CB 3.44Å; L242-L245 WeakPolarHBondContact O-CG 3.46Å; L242-L245 PolarHBondContact O-N 2.66Å; L242-L295 HydrophobicContact CD1-CD2 3.96Å
243	L	82.8	Confident	78.3	Confident	58 Å²	58	38.9 Å²	38.9	30%	0.304	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-61.4	-22.9	170.2	-63.1	172.8	0	0	0	111.9	V209 L240 S241 L245 L246	V209-L243 HydrophobicContact CB-CD1 4.49Å; V209-L243 HydrophobicContact CG1-CD1 4.46Å; V209-L243 HydrophobicContact CG2-CD1 4.36Å; L240-L243 HydrophobicContact CD2-CD1 4.17Å; L240-L243 VanDerWaalsContact O-CB 3.23Å; L240-L243 WeakPolarHBondContact O-CB 3.4Å; L240-L243 VanDerWaalsContact O-CG 3.25Å; L240-L243 WeakPolarHBondContact O-CG 3.47Å; L240-L243 PolarHBondContact O-N 3.39Å; S241-L243 PolarHBondContact O-N 2.9Å; L243-L245 PolarHBondContact O-N 2.74Å; L243-L246 HydrophobicContact CD2-CD1 4.15Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.21Å; L243-L246 WeakPolarHBondContact O-CG 3.48Å; L243-L246 PolarHBondContact O-N 3.34Å
244	R	82.8	Confident	78.8	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.015	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-62	-16.5	169.4	-63.1	-169	178.1	86.2	3.7	113.3	I137 D160 D210 S241 L242 L246 R247	I137-R244 HydrophobicContact CD1-CB 3.77Å; I137-R244 HydrophobicContact CD1-CG 4.38Å; D160-R244 IonicContact OD1-CZ 3.9Å; D160-R244 IonicContact OD1-NE 2.93Å; D160-R244 PolarHBondContact OD1-NE 2.94Å; D160-R244 IonicContact OD2-CZ 3.03Å; D160-R244 VanDerWaalsContact OD2-CZ 3.26Å; D160-R244 IonicContact OD2-NE 3.32Å; D160-R244 PolarHBondContact OD2-NE 3.46Å; D160-R244 IonicContact OD2-NH2 2.68Å; D160-R244 PolarHBondContact OD2-NH2 3.13Å; D210-R244 VanDerWaalsContact CG-NH1 3.34Å; D210-R244 IonicContact OD1-CZ 3.49Å; D210-R244 IonicContact OD1-NH1 3.3Å; D210-R244 PolarHBondContact OD1-NH1 3.3Å; D210-R244 IonicContact OD1-NH2 2.84Å; D210-R244 PolarHBondContact OD1-NH2 2.92Å; D210-R244 IonicContact OD2-CZ 3.64Å; D210-R244 IonicContact OD2-NH1 2.72Å; D210-R244 PolarHBondContact OD2-NH1 3.43Å; D210-R244 IonicContact OD2-NH2 3.63Å; S241-R244 WeakPolarHBondContact O-CB 3.49Å; S241-R244 PolarHBondContact O-N 3.34Å; S241-R244 PolarHBondContact OG-NH1 3.3Å; L242-R244 PolarHBondContact O-N 2.99Å; R244-L246 VanDerWaalsContact C-N 3.31Å; R244-R247 WeakPolarHBondContact O-CB 3.3Å; R244-R247 VanDerWaalsContact O-CD 3.28Å; R244-R247 WeakPolarHBondContact O-CD 3.35Å; R244-R247 WeakPolarHBondContact O-CG 3.39Å; R244-R247 PolarHBondContact O-N 2.94Å
245	L	81.6	Confident	79.4	Confident	32 Å²	32	36.7 Å²	36.7	17%	0.168	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-76.1	-16.6	173.6	-56.6	-175.1	0	0	0	113.2	L134 I137 P138 L242 L243 R247 L248 W288	L134-L245 HydrophobicContact CD2-CD2 4.09Å; I137-L245 HydrophobicContact CG2-CD2 4.47Å; P138-L245 HydrophobicContact CG-CD2 4.11Å; L242-L245 HydrophobicContact CD2-CD1 3.83Å; L242-L245 HydrophobicContact CD2-CG 4.43Å; L242-L245 VanDerWaalsContact O-CB 3.29Å; L242-L245 WeakPolarHBondContact O-CB 3.44Å; L242-L245 WeakPolarHBondContact O-CG 3.46Å; L242-L245 PolarHBondContact O-N 2.66Å; L243-L245 PolarHBondContact O-N 2.74Å; L245-R247 PolarHBondContact O-N 3.49Å; L245-R247 VanDerWaalsContact O-N 3.08Å; L245-L248 VanDerWaalsContact O-CB 3.28Å; L245-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 PolarHBondContact O-N 3.21Å; L245-W288 HydrophobicContact CB-CH2 4.13Å; L245-W288 HydrophobicContact CB-CZ2 4.43Å; L245-W288 HydrophobicContact CD1-CZ2 4.45Å; L245-W288 HydrophobicContact CD2-CH2 4.42Å; L245-W288 HydrophobicContact CD2-CZ2 3.87Å; L245-W288 HydrophobicContact CG-CZ2 4.47Å
246	L	84.9	Confident	79.9	Confident	73 Å²	73	39.3 Å²	39.3	38%	0.382	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60	-18.6	171.6	-65.3	178.2	0	0	0	112.8	V201 L204 L243 R244 L248 S249	V201-L246 HydrophobicContact CG1-CB 4.17Å; L204-L246 HydrophobicContact CB-CD1 4.48Å; L243-L246 HydrophobicContact CD2-CD1 4.15Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.21Å; L243-L246 WeakPolarHBondContact O-CG 3.48Å; L243-L246 PolarHBondContact O-N 3.34Å; R244-L246 VanDerWaalsContact C-N 3.31Å; L246-L248 PolarHBondContact O-N 3.09Å; L246-L248 VanDerWaalsContact O-N 3.16Å; L246-S249 WeakPolarHBondContact O-CB 3.44Å; L246-S249 PolarHBondContact O-N 2.92Å; L246-S249 PolarHBondContact O-OG 3.48Å
247	R	81.8	Confident	79.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.2	-20.5	171	-59.9	175.9	-173.8	172.5	3.1	112.9	M130 S159 D160 F163 S205 R244 L245 S249 R250 L251	M130-R247 HydrophobicContact CE-CB 3.84Å; M130-R247 VanDerWaalsContact CE-O 3.23Å; M130-R247 WeakPolarHBondContact CE-O 3.32Å; M130-R247 HydrophobicContact SD-CB 3.41Å; M130-R247 WeakPolarHBondContact SD-CB 3.39Å; M130-R247 HydrophobicContact SD-CG 4.49Å; S159-R247 PolarHBondContact OG-NH1 2.99Å; D160-R247 IonicContact OD1-CZ 3.3Å; D160-R247 IonicContact OD1-NH1 3.78Å; D160-R247 PolarHBondContact OD1-NH1 2.89Å; D160-R247 IonicContact OD1-NH2 3.46Å; D160-R247 PolarHBondContact OD1-NH2 2.88Å; F163-R247 VanDerWaalsContact CD2-CZ 3.43Å; F163-R247 VanDerWaalsContact CE2-NH1 3.28Å; S205-R247 VanDerWaalsContact O-CZ 3.23Å; S205-R247 PolarHBondContact O-NE 3.12Å; S205-R247 PolarHBondContact O-NH2 3.43Å; R244-R247 WeakPolarHBondContact O-CB 3.3Å; R244-R247 VanDerWaalsContact O-CD 3.28Å; R244-R247 WeakPolarHBondContact O-CD 3.35Å; R244-R247 WeakPolarHBondContact O-CG 3.39Å; R244-R247 PolarHBondContact O-N 2.94Å; L245-R247 PolarHBondContact O-N 3.49Å; L245-R247 VanDerWaalsContact O-N 3.08Å; R247-S249 PolarHBondContact O-N 3.46Å; R247-R250 WeakPolarHBondContact O-CA 3.4Å; R247-R250 WeakPolarHBondContact O-CB 3.4Å; R247-R250 PolarHBondContact O-N 2.94Å; R247-L251 PolarHBondContact O-N 2.96Å; R247-L251 VanDerWaalsContact O-N 3.07Å
248	L	79.5	Confident	79.9	Confident	29 Å²	29	37.4 Å²	37.4	15%	0.152	19%	0.185	C	C	.	.	H	α-helix	trans	-53.2	-33.6	169.9	175.9	63.6	0	0	0	112.5	L134 L245 L246 R250 L251 I252 M281 W288	L134-L248 HydrophobicContact CD1-CD1 4.47Å; L245-L248 VanDerWaalsContact O-CB 3.28Å; L245-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 PolarHBondContact O-N 3.21Å; L246-L248 PolarHBondContact O-N 3.09Å; L246-L248 VanDerWaalsContact O-N 3.16Å; L248-R250 PolarHBondContact O-N 3.33Å; L248-L251 HydrophobicContact CD1-CB 4.34Å; L248-L251 HydrophobicContact CD1-CD2 4.06Å; L248-L251 WeakPolarHBondContact O-CB 3.21Å; L248-L251 PolarHBondContact O-N 3.31Å; L248-I252 HydrophobicContact CD1-CD1 4.15Å; L248-I252 HydrophobicContact CD1-CG1 4.17Å; L248-I252 HydrophobicContact CG-CD1 3.95Å; L248-I252 HydrophobicContact CG-CG1 4.42Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 2.87Å; L248-M281 HydrophobicContact CD1-CE 4.35Å; L248-M281 HydrophobicContact CD2-CE 4.33Å; L248-W288 HydrophobicContact CB-CH2 4.06Å; L248-W288 HydrophobicContact CD2-CH2 3.7Å; L248-W288 HydrophobicContact CD2-CZ3 3.74Å; L248-W288 HydrophobicContact CG-CH2 4.34Å
249	S	81.9	Confident	80	Confident	26 Å²	26	38.1 Å²	38.1	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-36	174.3	65.7	0	0	0	0	112.4	V201 L246 R247 R253	V201-S249 WeakPolarHBondContact CG1-OG 3.42Å; L246-S249 WeakPolarHBondContact O-CB 3.44Å; L246-S249 PolarHBondContact O-N 2.92Å; L246-S249 PolarHBondContact O-OG 3.48Å; R247-S249 PolarHBondContact O-N 3.46Å; S249-R253 VanDerWaalsContact C-NH1 3.27Å; S249-R253 WeakPolarHBondContact O-CG 3.46Å; S249-R253 PolarHBondContact O-N 2.99Å; S249-R253 PolarHBondContact O-NH1 2.67Å; S249-R253 VanDerWaalsContact O-NH1 3.14Å; S249-R253 PolarHBondContact OG-NH1 2.85Å
250	R	82.4	Confident	79.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-77.7	-36.1	176.9	-163.2	179.1	-47.3	165.6	15.3	111.4	M130 D166 D202 S205 S206 R247 L248 I252 R253 Y254	M130-R250 HydrophobicContact CE-CB 3.88Å; M130-R250 HydrophobicContact CE-CG 4.36Å; D166-R250 WeakPolarHBondContact OD2-CD 3.36Å; D166-R250 IonicContact OD2-CZ 3.79Å; D166-R250 IonicContact OD2-NE 2.66Å; D166-R250 IonicContact OD2-NH1 3.19Å; D166-R250 PolarHBondContact OD2-NH1 2.96Å; D202-R250 VanDerWaalsContact CB-NH2 3.29Å; D202-R250 VanDerWaalsContact CG-NH2 3.33Å; D202-R250 PolarHBondContact O-NH2 3.09Å; D202-R250 IonicContact OD1-CZ 2.68Å; D202-R250 VanDerWaalsContact OD1-CZ 3.26Å; D202-R250 IonicContact OD1-NE 2.71Å; D202-R250 PolarHBondContact OD1-NE 3.46Å; D202-R250 IonicContact OD1-NH2 3.45Å; D202-R250 PolarHBondContact OD1-NH2 3.09Å; D202-R250 IonicContact OD2-NE 3.11Å; S205-R250 PolarHBondContact OG-NH2 3.27Å; S206-R250 PolarHBondContact OG-NH2 3.45Å; R247-R250 WeakPolarHBondContact O-CA 3.4Å; R247-R250 WeakPolarHBondContact O-CB 3.4Å; R247-R250 PolarHBondContact O-N 2.94Å; L248-R250 PolarHBondContact O-N 3.33Å; R250-I252 PolarHBondContact O-N 3.26Å; R250-R253 PolarHBondContact O-N 3.41Å; R250-Y254 HydrophobicContact CG-CD2 4.33Å; R250-Y254 HydrophobicContact CG-CE1 4.03Å; R250-Y254 HydrophobicContact CG-CE2 3.78Å; R250-Y254 PolarHBondContact O-N 3.3Å
251	L	80.1	Confident	79.5	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-47	171.1	-178.6	57.7	0	0	0	111.6	L127 M130 L134 R247 L248 Y254 I255	L127-L251 HydrophobicContact CD1-CD1 3.32Å; M130-L251 HydrophobicContact CE-CB 4.48Å; M130-L251 HydrophobicContact CG-CB 3.84Å; M130-L251 HydrophobicContact CG-CD1 4.02Å; M130-L251 HydrophobicContact CG-CD2 4.29Å; M130-L251 HydrophobicContact CG-CG 4.26Å; M130-L251 HydrophobicContact SD-CB 4.49Å; L134-L251 HydrophobicContact CD1-CD2 3.57Å; R247-L251 PolarHBondContact O-N 2.96Å; R247-L251 VanDerWaalsContact O-N 3.07Å; L248-L251 HydrophobicContact CD1-CB 4.34Å; L248-L251 HydrophobicContact CD1-CD2 4.06Å; L248-L251 WeakPolarHBondContact O-CB 3.21Å; L248-L251 PolarHBondContact O-N 3.31Å; L251-Y254 PolarHBondContact O-N 3.07Å; L251-I255 HydrophobicContact CD1-CD1 3.76Å; L251-I255 HydrophobicContact CD1-CG1 4.01Å; L251-I255 HydrophobicContact CD2-CD1 4.38Å; L251-I255 HydrophobicContact CG-CD1 3.77Å; L251-I255 HydrophobicContact CG-CG1 4.36Å; L251-I255 WeakPolarHBondContact O-CB 3.4Å; L251-I255 WeakPolarHBondContact O-CG1 3.48Å; L251-I255 PolarHBondContact O-N 3.4Å
252	I	81.7	Confident	79.3	Confident	71 Å²	71	42.6 Å²	42.6	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-44.2	180	-69	166	0	0	0	111	L248 R250 Y254 I255 H256	L248-I252 HydrophobicContact CD1-CD1 4.15Å; L248-I252 HydrophobicContact CD1-CG1 4.17Å; L248-I252 HydrophobicContact CG-CD1 3.95Å; L248-I252 HydrophobicContact CG-CG1 4.42Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 2.87Å; R250-I252 PolarHBondContact O-N 3.26Å; I252-Y254 PolarHBondContact O-N 3.44Å; I252-I255 PolarHBondContact O-N 3.09Å; I252-H256 PolarHBondContact O-CD2 3.1Å; I252-H256 VanDerWaalsContact O-CD2 3.29Å; I252-H256 PolarHBondContact O-N 3.49Å
253	R	82.8	Confident	78.8	Confident	52 Å²	52	44.4 Å²	44.4	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-47.5	174.8	-69.1	-172.1	-50.4	-93.6	14.3	111.8	D202 S249 R250 H256 Q257	D202-R253 VanDerWaalsContact CG-NH2 3.27Å; D202-R253 IonicContact OD1-CZ 3.44Å; D202-R253 IonicContact OD1-NH2 3.33Å; D202-R253 PolarHBondContact OD1-NH2 2.84Å; D202-R253 IonicContact OD2-CZ 3.45Å; D202-R253 IonicContact OD2-NH2 2.66Å; D202-R253 PolarHBondContact OD2-NH2 3.24Å; S249-R253 VanDerWaalsContact C-NH1 3.27Å; S249-R253 WeakPolarHBondContact O-CG 3.46Å; S249-R253 PolarHBondContact O-N 2.99Å; S249-R253 PolarHBondContact O-NH1 2.67Å; S249-R253 VanDerWaalsContact O-NH1 3.14Å; S249-R253 PolarHBondContact OG-NH1 2.85Å; R250-R253 PolarHBondContact O-N 3.41Å; R253-H256 PolarHBondContact O-N 2.91Å; R253-Q257 WeakPolarHBondContact O-CB 3.29Å; R253-Q257 PolarHBondContact O-N 3.14Å
254	Y	80.3	Confident	77.9	Confident	9 Å²	9	45.8 Å²	45.8	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-44.3	178.2	-64.8	-12.1	0	0	0	111.4	R119 D123 M126 D166 R250 L251 I252 H256 Q257 W258	R119-Y254 PolarHBondContact NH2-OH 3.36Å; D123-Y254 VanDerWaalsContact OD1-CZ 3.3Å; M126-Y254 HydrophobicContact CB-CD2 4.45Å; M126-Y254 HydrophobicContact CB-CE2 3.83Å; M126-Y254 HydrophobicContact CG-CE2 4.49Å; D166-Y254 PolarHBondContact OD1-OH 2.85Å; D166-Y254 PolarHBondContact OD2-OH 2.8Å; R250-Y254 HydrophobicContact CG-CD2 4.33Å; R250-Y254 HydrophobicContact CG-CE1 4.03Å; R250-Y254 HydrophobicContact CG-CE2 3.78Å; R250-Y254 PolarHBondContact O-N 3.3Å; L251-Y254 PolarHBondContact O-N 3.07Å; I252-Y254 PolarHBondContact O-N 3.44Å; Y254-H256 VanDerWaalsContact C-N 3.34Å; Y254-H256 PolarHBondContact O-N 3.34Å; Y254-Q257 PolarHBondContact O-N 3.07Å; Y254-W258 WeakPolarHBondContact O-CB 3.2Å; Y254-W258 PolarHBondContact O-N 3.24Å
255	I	79.1	Confident	77	Confident	43 Å²	43	47.1 Å²	47.1	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-44	176.8	-74.6	175.5	0	0	0	111.6	L251 I252 W258 E259 N277	L251-I255 HydrophobicContact CD1-CD1 3.76Å; L251-I255 HydrophobicContact CD1-CG1 4.01Å; L251-I255 HydrophobicContact CD2-CD1 4.38Å; L251-I255 HydrophobicContact CG-CD1 3.77Å; L251-I255 HydrophobicContact CG-CG1 4.36Å; L251-I255 WeakPolarHBondContact O-CB 3.4Å; L251-I255 WeakPolarHBondContact O-CG1 3.48Å; L251-I255 PolarHBondContact O-N 3.4Å; I252-I255 PolarHBondContact O-N 3.09Å; I255-W258 PolarHBondContact O-N 3.07Å; I255-E259 VanDerWaalsContact O-CB 3.28Å; I255-E259 WeakPolarHBondContact O-CB 3.46Å; I255-E259 PolarHBondContact O-N 3.4Å; I255-N277 WeakPolarHBondContact CG2-ND2 3.43Å
256	H	80.1	Confident	76.3	Confident	118 Å²	118	52.4 Å²	52.4	55%	0.546	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-47.2	176.9	-80	-61.2	0	0	0	113.1	I252 R253 Y254 W258 E259 E260	I252-H256 PolarHBondContact O-CD2 3.1Å; I252-H256 VanDerWaalsContact O-CD2 3.29Å; I252-H256 PolarHBondContact O-N 3.49Å; R253-H256 PolarHBondContact O-N 2.91Å; Y254-H256 VanDerWaalsContact C-N 3.34Å; Y254-H256 PolarHBondContact O-N 3.34Å; H256-W258 VanDerWaalsContact C-N 3.27Å; H256-W258 PolarHBondContact O-N 3.5Å; H256-E259 PolarHBondContact O-N 3Å; H256-E259 VanDerWaalsContact O-N 3.16Å; H256-E260 PolarHBondContact O-N 2.99Å
257	Q	75.9	Confident	75.3	Confident	52 Å²	52	54.8 Å²	54.8	24%	0.243	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-37.6	177.9	-173.8	-176.7	-11.7	0	0	111.8	R253 Y254 I261	R253-Q257 WeakPolarHBondContact O-CB 3.29Å; R253-Q257 PolarHBondContact O-N 3.14Å; Y254-Q257 PolarHBondContact O-N 3.07Å; Q257-I261 HydrophobicContact CG-CD1 4.28Å; Q257-I261 WeakPolarHBondContact O-CD1 3.42Å; Q257-I261 VanDerWaalsContact O-CG1 3.24Å; Q257-I261 WeakPolarHBondContact O-CG1 3.35Å; Q257-I261 PolarHBondContact O-N 2.92Å; Q257-I261 VanDerWaalsContact O-N 3.16Å
258	W	74.8	Confident	74.1	Confident	21 Å²	21	62.5 Å²	62.5	8%	0.08	30%	0.3	C	S	.	.	H	α-helix	trans	-73.8	-36.6	174.4	-79.7	72.4	0	0	0	112.6	F120 D123 L124 Y254 I255 H256 E260 I261 F262	F120-W258 HydrophobicContact CD1-CH2 4.35Å; F120-W258 AromaticContact CD2-CH2 3.62Å; F120-W258 HydrophobicContact CD2-CH2 3.62Å; F120-W258 HydrophobicContact CD2-CZ2 4Å; F120-W258 HydrophobicContact CD2-CZ3 4.06Å; F120-W258 HydrophobicContact CE1-CH2 4.02Å; F120-W258 HydrophobicContact CE2-CE3 4.17Å; F120-W258 AromaticContact CE2-CH2 3.25Å; F120-W258 HydrophobicContact CE2-CH2 3.25Å; F120-W258 HydrophobicContact CE2-CZ2 4.07Å; F120-W258 AromaticContact CE2-CZ3 3.31Å; F120-W258 HydrophobicContact CE2-CZ3 3.31Å; F120-W258 HydrophobicContact CG-CH2 4.17Å; F120-W258 HydrophobicContact CG-CZ2 4.45Å; F120-W258 AromaticContact CZ-CH2 3.47Å; F120-W258 HydrophobicContact CZ-CH2 3.47Å; F120-W258 VanDerWaalsContact CZ-CH2 3.47Å; F120-W258 AromaticContact CZ-CZ3 3.61Å; F120-W258 HydrophobicContact CZ-CZ3 3.61Å; F120-W258 WeakPolarHBondContact O-CZ2 3.08Å; D123-W258 HydrophobicContact CB-CZ2 4.29Å; L124-W258 HydrophobicContact CB-CH2 3.92Å; L124-W258 HydrophobicContact CB-CZ2 3.93Å; L124-W258 HydrophobicContact CD1-CH2 4.23Å; L124-W258 HydrophobicContact CG-CH2 4.5Å; Y254-W258 WeakPolarHBondContact O-CB 3.2Å; Y254-W258 PolarHBondContact O-N 3.24Å; I255-W258 PolarHBondContact O-N 3.07Å; H256-W258 VanDerWaalsContact C-N 3.27Å; H256-W258 PolarHBondContact O-N 3.5Å; W258-E260 VanDerWaalsContact C-N 3.33Å; W258-I261 PolarHBondContact O-N 3.27Å; W258-F262 HydrophobicContact CB-CD2 4.45Å; W258-F262 HydrophobicContact CB-CE2 4.46Å; W258-F262 HydrophobicContact CE3-CD2 4.47Å; W258-F262 AromaticContact CE3-CE2 3.63Å; W258-F262 HydrophobicContact CE3-CE2 3.63Å; W258-F262 AromaticContact CE3-CZ 3.83Å; W258-F262 HydrophobicContact CE3-CZ 3.83Å; W258-F262 HydrophobicContact CZ3-CE2 4.33Å; W258-F262 HydrophobicContact CZ3-CZ 4.08Å; W258-F262 WeakPolarHBondContact O-CB 3.22Å; W258-F262 WeakPolarHBondContact O-CD2 3.41Å; W258-F262 WeakPolarHBondContact O-CG 3.27Å; W258-F262 PolarHBondContact O-N 3.31Å
259	E	74.7	Confident	73.3	Confident	40 Å²	40	63 Å²	63	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-40.7	174.1	-174.3	167.3	-177.2	0	0	111	I255 H256 F262 H263	I255-E259 VanDerWaalsContact O-CB 3.28Å; I255-E259 WeakPolarHBondContact O-CB 3.46Å; I255-E259 PolarHBondContact O-N 3.4Å; H256-E259 PolarHBondContact O-N 3Å; H256-E259 VanDerWaalsContact O-N 3.16Å; E259-F262 PolarHBondContact O-N 3.47Å; E259-H263 VanDerWaalsContact O-CB 3.28Å; E259-H263 WeakPolarHBondContact O-CB 3.38Å; E259-H263 PolarHBondContact O-N 3.27Å
260	E	75.8	Confident	72.8	Confident	101 Å²	101	63 Å²	63	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-51.8	172.7	-172.6	-170.7	-173.4	0	0	112.2	H256 W258 F262 H263 M264	H256-E260 PolarHBondContact O-N 2.99Å; W258-E260 VanDerWaalsContact C-N 3.33Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 3.19Å; E260-H263 PolarHBondContact O-N 3.41Å; E260-H263 VanDerWaalsContact O-N 3.16Å; E260-M264 WeakPolarHBondContact O-CG 3.23Å; E260-M264 PolarHBondContact O-N 3.15Å
261	I	71.4	Confident	72.4	Confident	26 Å²	26	64.2 Å²	64.2	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-40.2	178.3	-68.4	164.7	0	0	0	111.3	F86 Q257 W258 T265	F86-I261 HydrophobicContact CD2-CG2 4.05Å; F86-I261 HydrophobicContact CE2-CB 4.22Å; F86-I261 HydrophobicContact CE2-CG1 3.89Å; F86-I261 HydrophobicContact CE2-CG2 4.14Å; F86-I261 HydrophobicContact CZ-CG1 3.99Å; Q257-I261 HydrophobicContact CG-CD1 4.28Å; Q257-I261 WeakPolarHBondContact O-CD1 3.42Å; Q257-I261 VanDerWaalsContact O-CG1 3.24Å; Q257-I261 WeakPolarHBondContact O-CG1 3.35Å; Q257-I261 PolarHBondContact O-N 2.92Å; Q257-I261 VanDerWaalsContact O-N 3.16Å; W258-I261 PolarHBondContact O-N 3.27Å; I261-T265 WeakPolarHBondContact O-CB 3.32Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 PolarHBondContact O-OG1 3.42Å
262	F	70.8	Confident	72.4	Confident	87 Å²	87	66.8 Å²	66.8	38%	0.382	33%	0.334	S	S	.	.	H	α-helix	trans	-69.3	-40.3	174.9	-77.5	-52.5	0	0	0	112.3	W258 E259 E260 M264 T265 Y266	W258-F262 HydrophobicContact CB-CD2 4.45Å; W258-F262 HydrophobicContact CB-CE2 4.46Å; W258-F262 HydrophobicContact CE3-CD2 4.47Å; W258-F262 AromaticContact CE3-CE2 3.63Å; W258-F262 HydrophobicContact CE3-CE2 3.63Å; W258-F262 AromaticContact CE3-CZ 3.83Å; W258-F262 HydrophobicContact CE3-CZ 3.83Å; W258-F262 HydrophobicContact CZ3-CE2 4.33Å; W258-F262 HydrophobicContact CZ3-CZ 4.08Å; W258-F262 WeakPolarHBondContact O-CB 3.22Å; W258-F262 WeakPolarHBondContact O-CD2 3.41Å; W258-F262 WeakPolarHBondContact O-CG 3.27Å; W258-F262 PolarHBondContact O-N 3.31Å; E259-F262 PolarHBondContact O-N 3.47Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 3.19Å; F262-M264 VanDerWaalsContact C-N 3.3Å; F262-M264 PolarHBondContact O-N 2.85Å; F262-T265 CarbonylContact O-C 3.54Å; F262-T265 PolarHBondContact O-N 3.21Å; F262-Y266 AromaticContact CD1-CD2 3.92Å; F262-Y266 HydrophobicContact CD1-CD2 3.92Å; F262-Y266 HydrophobicContact CD1-CE2 4.04Å; F262-Y266 HydrophobicContact CE1-CE2 4.42Å; F262-Y266 PolarHBondContact O-N 3.38Å
263	H	69.9	Low	72.4	Confident	86 Å²	86	66 Å²	66	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-39.9	175.1	-164.9	-39.4	0	0	0	111.4	E259 E260 T265 D267 S270	E259-H263 VanDerWaalsContact O-CB 3.28Å; E259-H263 WeakPolarHBondContact O-CB 3.38Å; E259-H263 PolarHBondContact O-N 3.27Å; E260-H263 PolarHBondContact O-N 3.41Å; E260-H263 VanDerWaalsContact O-N 3.16Å; H263-T265 PolarHBondContact O-N 3.39Å; H263-D267 IonicContact CE1-OD1 2.7Å; H263-S270 PolarHBondContact CD2-OG 2.78Å
264	M	62.7	Low	72.3	Confident	86 Å²	86	68 Å²	68	42%	0.424	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-2.7	174.3	-67.4	-60.5	170.8	0	0	113.8	F86 R89 E260 F262	F86-M264 HydrophobicContact CD2-CB 4.36Å; F86-M264 HydrophobicContact CE2-CB 4.15Å; R89-M264 VanDerWaalsContact CD-O 3.29Å; R89-M264 WeakPolarHBondContact CD-O 3.36Å; R89-M264 PolarHBondContact NH1-O 3.11Å; E260-M264 WeakPolarHBondContact O-CG 3.23Å; E260-M264 PolarHBondContact O-N 3.15Å; F262-M264 VanDerWaalsContact C-N 3.3Å; F262-M264 PolarHBondContact O-N 2.85Å
265	T	65.6	Low	72.6	Confident	33 Å²	33	68.5 Å²	68.5	20%	0.202	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-33.1	-178.1	-49.9	0	0	0	0	114	I261 F262 H263	I261-T265 WeakPolarHBondContact O-CB 3.32Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 PolarHBondContact O-OG1 3.42Å; F262-T265 CarbonylContact O-C 3.54Å; F262-T265 PolarHBondContact O-N 3.21Å; H263-T265 PolarHBondContact O-N 3.39Å
266	Y	66.8	Low	72.9	Confident	143 Å²	143	73.2 Å²	73.2	56%	0.561	36%	0.362	S	S	*	.			trans	-140.2	68.4	-169.1	-57.2	-81	0	0	0	112.7	F262 L268 A269	F262-Y266 AromaticContact CD1-CD2 3.92Å; F262-Y266 HydrophobicContact CD1-CD2 3.92Å; F262-Y266 HydrophobicContact CD1-CE2 4.04Å; F262-Y266 HydrophobicContact CE1-CE2 4.42Å; F262-Y266 PolarHBondContact O-N 3.38Å; Y266-L268 PolarHBondContact O-N 3.17Å; Y266-A269 WeakPolarHBondContact O-CB 3.39Å; Y266-A269 PolarHBondContact O-N 2.92Å
267	D	62.7	Low	73.1	Confident	122 Å²	122	70 Å²	70	65%	0.652	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-44.1	-59.7	-174.7	-164.2	28.9	0	0	0	114.8	H263 A269 S270	H263-D267 IonicContact CE1-OD1 2.7Å; D267-A269 PolarHBondContact O-N 2.81Å; D267-S270 WeakPolarHBondContact O-CB 3.42Å; D267-S270 PolarHBondContact O-N 2.96Å
268	L	56.9	Low	73.7	Confident	163 Å²	163	69.2 Å²	69.2	85%	0.853	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.8	-179.7	-174.1	60.4	0	0	0	114.3	Y266	Y266-L268 PolarHBondContact O-N 3.17Å
269	A	63.6	Low	74.5	Confident	38 Å²	38	70.9 Å²	70.9	31%	0.314	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-83	-21.5	-179.9	0	0	0	0	0	113.1	Y266 D267 A271 V272 V273	Y266-A269 WeakPolarHBondContact O-CB 3.39Å; Y266-A269 PolarHBondContact O-N 2.92Å; D267-A269 PolarHBondContact O-N 2.81Å; A269-A271 PolarHBondContact O-N 3.41Å; A269-V272 CarbonylContact O-C 3.5Å; A269-V272 WeakPolarHBondContact O-CA 3.3Å; A269-V272 WeakPolarHBondContact O-CB 3.37Å; A269-V272 PolarHBondContact O-N 3.5Å; A269-V273 HydrophobicContact CB-CG2 4.41Å; A269-V273 WeakPolarHBondContact O-CG2 3.5Å; A269-V273 PolarHBondContact O-N 3.5Å
270	S	71.6	Confident	75.2	Confident	28 Å²	28	70.5 Å²	70.5	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-50.4	-52.5	-172.7	170	0	0	0	0	113.4	H263 D267 V272 V273 R274	H263-S270 PolarHBondContact CD2-OG 2.78Å; D267-S270 WeakPolarHBondContact O-CB 3.42Å; D267-S270 PolarHBondContact O-N 2.96Å; S270-V272 PolarHBondContact O-N 2.93Å; S270-V273 PolarHBondContact O-N 2.83Å; S270-R274 WeakPolarHBondContact O-CB 3.35Å; S270-R274 PolarHBondContact O-N 3.46Å
271	A	73.6	Confident	75.9	Confident	25 Å²	25	68.6 Å²	68.6	21%	0.207	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-28.1	-179.8	0	0	0	0	0	113.6	A269 L373	A269-A271 PolarHBondContact O-N 3.41Å; A271-L373 HydrophobicContact CB-CD1 3.73Å
272	V	80.4	Confident	76.9	Confident	58 Å²	58	68.7 Å²	68.7	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-81	-42	177.5	178.4	0	0	0	0	110.9	A269 S270 R274 I275 F276 L373	A269-V272 CarbonylContact O-C 3.5Å; A269-V272 WeakPolarHBondContact O-CA 3.3Å; A269-V272 WeakPolarHBondContact O-CB 3.37Å; A269-V272 PolarHBondContact O-N 3.5Å; S270-V272 PolarHBondContact O-N 2.93Å; V272-R274 VanDerWaalsContact C-N 3.3Å; V272-R274 PolarHBondContact O-N 2.86Å; V272-I275 WeakPolarHBondContact O-CG2 3.37Å; V272-I275 PolarHBondContact O-N 3.06Å; V272-F276 HydrophobicContact CG1-CD2 3.86Å; V272-F276 HydrophobicContact CG1-CE2 3.66Å; V272-F276 VanDerWaalsContact O-CD2 3.26Å; V272-F276 WeakPolarHBondContact O-CD2 3.28Å; V272-F276 PolarHBondContact O-N 3.36Å; V272-L373 HydrophobicContact CG2-CD1 4.34Å
273	V	81.3	Confident	78.1	Confident	56 Å²	56	69.3 Å²	69.3	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-45.1	173	170.4	0	0	0	0	110.3	A269 S270 I275 F276 N277	A269-V273 HydrophobicContact CB-CG2 4.41Å; A269-V273 WeakPolarHBondContact O-CG2 3.5Å; A269-V273 PolarHBondContact O-N 3.5Å; S270-V273 PolarHBondContact O-N 2.83Å; V273-I275 PolarHBondContact O-N 3.13Å; V273-F276 PolarHBondContact O-N 3.43Å; V273-N277 WeakPolarHBondContact O-CB 3.39Å; V273-N277 PolarHBondContact O-N 2.96Å
274	R	80.9	Confident	79.2	Confident	93 Å²	93	65.8 Å²	65.8	35%	0.351	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-37.6	-179.6	-168.5	174.7	65	175.9	-2	113.7	S270 V272 L278	S270-R274 WeakPolarHBondContact O-CB 3.35Å; S270-R274 PolarHBondContact O-N 3.46Å; V272-R274 VanDerWaalsContact C-N 3.3Å; V272-R274 PolarHBondContact O-N 2.86Å; R274-L278 WeakPolarHBondContact O-CB 3.36Å; R274-L278 PolarHBondContact O-N 3.06Å; R274-L278 VanDerWaalsContact O-N 3.12Å
275	I	85.8	Confident	80.7	Confident	19 Å²	19	63.6 Å²	63.6	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-73.7	-35.5	176.1	-168.1	62.5	0	0	0	111.9	V272 V273 L278 I279 F366 H369 L373	V272-I275 WeakPolarHBondContact O-CG2 3.37Å; V272-I275 PolarHBondContact O-N 3.06Å; V273-I275 PolarHBondContact O-N 3.13Å; I275-L278 HydrophobicContact CD1-CD2 4.31Å; I275-L278 PolarHBondContact O-N 2.8Å; I275-I279 HydrophobicContact CG1-CD1 4.15Å; I275-I279 WeakPolarHBondContact O-CD1 3.42Å; I275-I279 VanDerWaalsContact O-CG1 3.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; I275-I279 PolarHBondContact O-N 2.87Å; I275-F366 HydrophobicContact CD1-CD2 3.91Å; I275-F366 HydrophobicContact CD1-CE2 3.85Å; I275-F366 HydrophobicContact CG1-CE2 4.49Å; I275-H369 HydrophobicContact CD1-CB 4.2Å; I275-L373 HydrophobicContact CB-CD2 4.27Å; I275-L373 HydrophobicContact CG2-CD2 3.74Å
276	F	86	Confident	82.2	Confident	142 Å²	142	62.2 Å²	62.2	62%	0.623	33%	0.328	S	S	*	.	H	α-helix	trans	-66.3	-40.7	173	-80.5	-63	0	0	0	112.5	V272 V273 I279 G280	V272-F276 HydrophobicContact CG1-CD2 3.86Å; V272-F276 HydrophobicContact CG1-CE2 3.66Å; V272-F276 VanDerWaalsContact O-CD2 3.26Å; V272-F276 WeakPolarHBondContact O-CD2 3.28Å; V272-F276 PolarHBondContact O-N 3.36Å; V273-F276 PolarHBondContact O-N 3.43Å; F276-I279 PolarHBondContact O-N 3.38Å; F276-G280 PolarHBondContact O-N 2.73Å
277	N	84.5	Confident	83.7	Confident	50 Å²	50	56 Å²	56	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-56.2	-50.5	173	-175.3	9.5	0	0	0	110.8	I255 V273 I279 G280 M281	I255-N277 WeakPolarHBondContact CG2-ND2 3.43Å; V273-N277 WeakPolarHBondContact O-CB 3.39Å; V273-N277 PolarHBondContact O-N 2.96Å; N277-I279 PolarHBondContact O-N 3.48Å; N277-G280 PolarHBondContact O-N 2.85Å; N277-M281 PolarHBondContact O-N 3Å
278	L	87.3	Confident	85.3	Confident	36 Å²	36	52.4 Å²	52.4	19%	0.188	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-40.8	177.8	-176.9	60	0	0	0	113.3	R274 I275 M281 M282 F366 H369	R274-L278 WeakPolarHBondContact O-CB 3.36Å; R274-L278 PolarHBondContact O-N 3.06Å; R274-L278 VanDerWaalsContact O-N 3.12Å; I275-L278 HydrophobicContact CD1-CD2 4.31Å; I275-L278 PolarHBondContact O-N 2.8Å; L278-M281 PolarHBondContact O-N 3.38Å; L278-M282 WeakPolarHBondContact O-CB 3.48Å; L278-M282 PolarHBondContact O-N 2.72Å; L278-F366 HydrophobicContact CD2-CB 4.41Å; L278-H369 HydrophobicContact CD2-CB 3.63Å; L278-H369 VanDerWaalsContact CD2-CD2 3.46Å; L278-H369 WeakPolarHBondContact CD2-CD2 3.36Å
279	I	91.7	Very high	87.1	Confident	56 Å²	56	45.5 Å²	45.5	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-43.9	174.3	-70.3	164.2	0	0	0	110.4	I275 F276 N277 M282 L283 F366	I275-I279 HydrophobicContact CG1-CD1 4.15Å; I275-I279 WeakPolarHBondContact O-CD1 3.42Å; I275-I279 VanDerWaalsContact O-CG1 3.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; I275-I279 PolarHBondContact O-N 2.87Å; F276-I279 PolarHBondContact O-N 3.38Å; N277-I279 PolarHBondContact O-N 3.48Å; I279-M282 PolarHBondContact O-N 3.35Å; I279-L283 HydrophobicContact CG2-CD1 3.99Å; I279-L283 HydrophobicContact CG2-CG 4.45Å; I279-L283 WeakPolarHBondContact O-CB 3.36Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.05Å; I279-L283 PolarHBondContact O-N 3.12Å; I279-F366 HydrophobicContact CD1-CE2 4.19Å; I279-F366 HydrophobicContact CG1-CD2 4.29Å; I279-F366 HydrophobicContact CG1-CE2 3.9Å
280	G	90.8	Very high	88.7	Confident	32 Å²	32	43.7 Å²	43.7	33%	0.33	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-45.6	176	0	0	0	0	0	112.6	F276 N277 L283 L284	F276-G280 PolarHBondContact O-N 2.73Å; N277-G280 PolarHBondContact O-N 2.85Å; G280-L283 PolarHBondContact O-N 3.27Å; G280-L284 PolarHBondContact O-N 2.98Å
281	M	88.7	Confident	89.9	Confident	61 Å²	61	42.5 Å²	42.5	30%	0.3	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-41.6	176.4	-171.4	61.5	174.4	0	0	112.2	L248 N277 L278 L283 L284 L285	L248-M281 HydrophobicContact CD1-CE 4.35Å; L248-M281 HydrophobicContact CD2-CE 4.33Å; N277-M281 PolarHBondContact O-N 3Å; L278-M281 PolarHBondContact O-N 3.38Å; M281-L283 PolarHBondContact O-N 3.48Å; M281-L284 PolarHBondContact O-N 3.25Å; M281-L285 HydrophobicContact CE-CD1 4.29Å; M281-L285 HydrophobicContact CE-CD2 4.39Å; M281-L285 HydrophobicContact CE-CG 4.34Å; M281-L285 HydrophobicContact CG-CD1 4.29Å; M281-L285 WeakPolarHBondContact O-CB 3.44Å; M281-L285 WeakPolarHBondContact O-CG 3.23Å; M281-L285 PolarHBondContact O-N 3.18Å
282	M	93.8	Very high	90.9	Very high	29 Å²	29	44.4 Å²	44.4	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-39.4	176.4	-173.2	175.3	67.2	0	0	112.1	L278 I279 C286 M333 C362 F366	L278-M282 WeakPolarHBondContact O-CB 3.48Å; L278-M282 PolarHBondContact O-N 2.72Å; I279-M282 PolarHBondContact O-N 3.35Å; M282-C286 VanDerWaalsContact O-CB 3.26Å; M282-C286 WeakPolarHBondContact O-CB 3.49Å; M282-C286 PolarHBondContact O-N 3.28Å; M282-M333 HydrophobicContact CG-CE 4.41Å; M282-M333 HydrophobicContact CG-CG 4.04Å; M282-M333 HydrophobicContact CG-SD 3.69Å; M282-M333 HydrophobicContact SD-CG 4.37Å; M282-M333 HydrophobicContact SD-SD 4.32Å; M282-C362 HydrophobicContact CG-CB 4.35Å; M282-F366 HydrophobicContact SD-CB 4.48Å
283	L	95.4	Very high	91.6	Very high	100 Å²	100	41.7 Å²	41.7	52%	0.524	21%	0.212	S	C	.	.	H	α-helix	trans	-65.7	-41.6	173.8	-71.9	170.7	0	0	0	111.9	I279 G280 M281 C286 H287	I279-L283 HydrophobicContact CG2-CD1 3.99Å; I279-L283 HydrophobicContact CG2-CG 4.45Å; I279-L283 WeakPolarHBondContact O-CB 3.36Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.05Å; I279-L283 PolarHBondContact O-N 3.12Å; G280-L283 PolarHBondContact O-N 3.27Å; M281-L283 PolarHBondContact O-N 3.48Å; L283-C286 PolarHBondContact O-N 2.95Å; L283-H287 VanDerWaalsContact O-CB 3.28Å; L283-H287 WeakPolarHBondContact O-CB 3.38Å; L283-H287 PolarHBondContact O-N 2.99Å
284	L	93.3	Very high	92.3	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-43.2	176.7	-174.8	63.7	0	0	0	111.9	L134 I135 G280 M281 H287 W288	L134-L284 HydrophobicContact CB-CD1 4.13Å; L134-L284 HydrophobicContact CB-CD2 4.5Å; L134-L284 HydrophobicContact CD1-CD2 4.22Å; I135-L284 HydrophobicContact CG1-CD1 4.29Å; G280-L284 PolarHBondContact O-N 2.98Å; M281-L284 PolarHBondContact O-N 3.25Å; L284-H287 WeakPolarHBondContact O-CB 3.46Å; L284-H287 PolarHBondContact O-N 3.43Å; L284-W288 HydrophobicContact CD1-CZ2 4.47Å; L284-W288 HydrophobicContact CD2-CZ2 4.32Å; L284-W288 HydrophobicContact CG-CZ2 4.39Å; L284-W288 PolarHBondContact O-N 3.39Å
285	L	94.5	Very high	92.9	Very high	41 Å²	41	35.7 Å²	35.7	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-42	175.5	-70.9	174	0	0	0	112	M281 H287 W288 D289 M333	M281-L285 HydrophobicContact CE-CD1 4.29Å; M281-L285 HydrophobicContact CE-CD2 4.39Å; M281-L285 HydrophobicContact CE-CG 4.34Å; M281-L285 HydrophobicContact CG-CD1 4.29Å; M281-L285 WeakPolarHBondContact O-CB 3.44Å; M281-L285 WeakPolarHBondContact O-CG 3.23Å; M281-L285 PolarHBondContact O-N 3.18Å; L285-H287 VanDerWaalsContact C-N 3.28Å; L285-H287 PolarHBondContact O-N 2.99Å; L285-W288 PolarHBondContact O-N 2.98Å; L285-D289 VanDerWaalsContact O-CB 3.32Å; L285-D289 WeakPolarHBondContact O-CB 3.34Å; L285-D289 PolarHBondContact O-N 3.39Å; L285-M333 HydrophobicContact CB-CE 4.1Å
286	C	97.2	Very high	93.2	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-37.3	173.9	-175.3	0	0	0	0	112.1	M282 L283 G290 A329 M330 M333	M282-C286 VanDerWaalsContact O-CB 3.26Å; M282-C286 WeakPolarHBondContact O-CB 3.49Å; M282-C286 PolarHBondContact O-N 3.28Å; L283-C286 PolarHBondContact O-N 2.95Å; C286-G290 PolarHBondContact O-N 3.27Å; C286-A329 WeakPolarHBondContact O-CB 3.48Å; C286-M330 VanDerWaalsContact SG-CA 3.52Å; C286-M333 HydrophobicContact CB-CE 3.97Å
287	H	96.9	Very high	93.6	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.056	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-46.2	175.8	169.2	70.8	0	0	0	111.9	I135 V139 L283 L284 L285 G290 C291 Y322 L326	I135-H287 PolarHBondContact O-NE2 3.06Å; I135-H287 VanDerWaalsContact O-NE2 3.11Å; V139-H287 VanDerWaalsContact CG2-CE1 3.48Å; V139-H287 WeakPolarHBondContact CG2-CE1 3.43Å; L283-H287 VanDerWaalsContact O-CB 3.28Å; L283-H287 WeakPolarHBondContact O-CB 3.38Å; L283-H287 PolarHBondContact O-N 2.99Å; L284-H287 WeakPolarHBondContact O-CB 3.46Å; L284-H287 PolarHBondContact O-N 3.43Å; L285-H287 VanDerWaalsContact C-N 3.28Å; L285-H287 PolarHBondContact O-N 2.99Å; H287-G290 PolarHBondContact O-N 3.36Å; H287-C291 PolarHBondContact O-N 2.91Å; H287-Y322 AromaticContact CE1-CE2 3.79Å; H287-Y322 AromaticContact ND1-CE2 3.58Å; H287-Y322 AromaticContact ND1-CZ 3.66Å; H287-Y322 PolarHBondContact ND1-OH 3.29Å; H287-L326 HydrophobicContact CB-CD1 4.5Å
288	W	96.2	Very high	93.9	Very high	47 Å²	47	29.1 Å²	29.1	18%	0.178	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.7	-73.1	3.3	0	0	0	113.1	L134 L245 L248 L284 L285 C291 L292	L134-W288 HydrophobicContact CB-CZ2 4.06Å; L134-W288 HydrophobicContact CD1-CZ2 4.48Å; L134-W288 HydrophobicContact CD2-CH2 4.44Å; L134-W288 HydrophobicContact CD2-CZ2 3.91Å; L134-W288 HydrophobicContact CG-CZ2 4.34Å; L134-W288 PolarHBondContact O-NE1 3.33Å; L245-W288 HydrophobicContact CB-CH2 4.13Å; L245-W288 HydrophobicContact CB-CZ2 4.43Å; L245-W288 HydrophobicContact CD1-CZ2 4.45Å; L245-W288 HydrophobicContact CD2-CH2 4.42Å; L245-W288 HydrophobicContact CD2-CZ2 3.87Å; L245-W288 HydrophobicContact CG-CZ2 4.47Å; L248-W288 HydrophobicContact CB-CH2 4.06Å; L248-W288 HydrophobicContact CD2-CH2 3.7Å; L248-W288 HydrophobicContact CD2-CZ3 3.74Å; L248-W288 HydrophobicContact CG-CH2 4.34Å; L284-W288 HydrophobicContact CD1-CZ2 4.47Å; L284-W288 HydrophobicContact CD2-CZ2 4.32Å; L284-W288 HydrophobicContact CG-CZ2 4.39Å; L284-W288 PolarHBondContact O-N 3.39Å; L285-W288 PolarHBondContact O-N 2.98Å; W288-C291 PolarHBondContact O-N 2.98Å; W288-L292 WeakPolarHBondContact O-CB 3.37Å; W288-L292 PolarHBondContact O-N 3.11Å
289	D	96.8	Very high	93.9	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-41.8	174.4	178.9	32.1	0	0	0	111.4	L285 C291 L292 Q293 A329 S355	L285-D289 VanDerWaalsContact O-CB 3.32Å; L285-D289 WeakPolarHBondContact O-CB 3.34Å; L285-D289 PolarHBondContact O-N 3.39Å; D289-C291 PolarHBondContact O-N 2.96Å; D289-L292 PolarHBondContact O-N 3.49Å; D289-Q293 WeakPolarHBondContact O-CB 3.42Å; D289-Q293 WeakPolarHBondContact O-CG 3.4Å; D289-Q293 PolarHBondContact O-N 3.3Å; D289-Q293 PolarHBondContact OD1-NE2 3.03Å; D289-Q293 PolarHBondContact OD2-NE2 2.74Å; D289-A329 HydrophobicContact CB-CB 3.95Å; D289-A329 WeakPolarHBondContact OD2-CA 3.22Å; D289-A329 VanDerWaalsContact OD2-CB 3.25Å; D289-A329 WeakPolarHBondContact OD2-CB 3.41Å; D289-S355 VanDerWaalsContact CG-OG 3.32Å; D289-S355 WeakPolarHBondContact OD1-CB 3.17Å; D289-S355 PolarHBondContact OD1-OG 3.1Å; D289-S355 WeakPolarHBondContact OD2-CB 3.44Å; D289-S355 PolarHBondContact OD2-OG 2.97Å
290	G	96.9	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-45.8	172.2	0	0	0	0	0	112.5	C286 H287 Y294 A325 A329	C286-G290 PolarHBondContact O-N 3.27Å; H287-G290 PolarHBondContact O-N 3.36Å; G290-Y294 PolarHBondContact O-N 2.93Å; G290-A325 WeakPolarHBondContact CA-O 3.28Å; G290-A325 VanDerWaalsContact O-CB 3.31Å; G290-A325 WeakPolarHBondContact O-CB 3.25Å; G290-A329 VanDerWaalsContact N-CB 3.33Å
291	C	96.1	Very high	93.7	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.027	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-43.1	174	-72.3	0	0	0	0	112.3	P138 T142 H287 W288 D289 Y294 L295	P138-C291 HydrophobicContact CB-CB 3.82Å; T142-C291 HydrophobicContact CG2-CB 4.31Å; H287-C291 PolarHBondContact O-N 2.91Å; W288-C291 PolarHBondContact O-N 2.98Å; D289-C291 PolarHBondContact O-N 2.96Å; C291-Y294 PolarHBondContact O-N 3.42Å; C291-L295 WeakPolarHBondContact O-CB 3.32Å; C291-L295 PolarHBondContact O-N 3.07Å
292	L	94.6	Very high	93.9	Very high	64 Å²	64	33.1 Å²	33.1	34%	0.335	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-42.6	179.2	178.9	61.7	0	0	0	112.3	W288 D289 Y294 L295 V296 I351	W288-L292 WeakPolarHBondContact O-CB 3.37Å; W288-L292 PolarHBondContact O-N 3.11Å; D289-L292 PolarHBondContact O-N 3.49Å; L292-Y294 PolarHBondContact O-N 3.05Å; L292-L295 PolarHBondContact O-N 3.38Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L292-V296 HydrophobicContact CD1-CG2 4.09Å; L292-V296 PolarHBondContact O-N 3.46Å; L292-I351 HydrophobicContact CG-CG2 4.38Å
293	Q	95.8	Very high	93.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-22.6	177.7	-75.5	-177.1	54.8	0	0	113.2	D289 P297 W307 K328 I351 S355	D289-Q293 WeakPolarHBondContact O-CB 3.42Å; D289-Q293 WeakPolarHBondContact O-CG 3.4Å; D289-Q293 PolarHBondContact O-N 3.3Å; D289-Q293 PolarHBondContact OD1-NE2 3.03Å; D289-Q293 PolarHBondContact OD2-NE2 2.74Å; Q293-P297 VanDerWaalsContact O-CD 3.28Å; Q293-P297 WeakPolarHBondContact O-CD 3.25Å; Q293-P297 WeakPolarHBondContact O-CG 3.37Å; Q293-W307 PolarHBondContact O-NE1 2.76Å; Q293-K328 VanDerWaalsContact OE1-CG 3.26Å; Q293-I351 HydrophobicContact CG-CG2 3.6Å; Q293-S355 PolarHBondContact NE2-OG 3.48Å; Q293-S355 VanDerWaalsContact NE2-OG 3.13Å
294	Y	95.8	Very high	93.8	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-92.3	-32.7	169.5	-169	-100.2	0	0	0	113	F143 G290 C291 L292 V296 P297 L298 F302 W307 V308 Q321	F143-Y294 AromaticContact CD1-CD1 3.65Å; F143-Y294 HydrophobicContact CD1-CD1 3.65Å; F143-Y294 AromaticContact CD1-CE1 3.59Å; F143-Y294 HydrophobicContact CD1-CE1 3.59Å; F143-Y294 HydrophobicContact CD1-CG 4.23Å; F143-Y294 AromaticContact CE1-CD1 3.23Å; F143-Y294 HydrophobicContact CE1-CD1 3.23Å; F143-Y294 AromaticContact CE1-CD2 3.84Å; F143-Y294 HydrophobicContact CE1-CD2 3.84Å; F143-Y294 AromaticContact CE1-CE1 3.59Å; F143-Y294 HydrophobicContact CE1-CE1 3.59Å; F143-Y294 HydrophobicContact CE1-CE2 4.14Å; F143-Y294 AromaticContact CE1-CG 3.37Å; F143-Y294 HydrophobicContact CE1-CG 3.37Å; F143-Y294 HydrophobicContact CE2-CD1 4.49Å; F143-Y294 HydrophobicContact CG-CD1 4.42Å; F143-Y294 HydrophobicContact CG-CE1 4.49Å; F143-Y294 AromaticContact CZ-CD1 3.71Å; F143-Y294 HydrophobicContact CZ-CD1 3.71Å; F143-Y294 HydrophobicContact CZ-CD2 4.42Å; F143-Y294 HydrophobicContact CZ-CE1 4.47Å; F143-Y294 AromaticContact CZ-CG 3.67Å; F143-Y294 HydrophobicContact CZ-CG 3.67Å; G290-Y294 PolarHBondContact O-N 2.93Å; C291-Y294 PolarHBondContact O-N 3.42Å; L292-Y294 PolarHBondContact O-N 3.05Å; Y294-V296 PolarHBondContact O-N 3.18Å; Y294-P297 WeakPolarHBondContact O-CD 3.44Å; Y294-L298 WeakPolarHBondContact O-CB 3.3Å; Y294-L298 PolarHBondContact O-N 3.38Å; Y294-F302 HydrophobicContact CE1-CE1 4.4Å; Y294-F302 HydrophobicContact CE1-CZ 4.18Å; Y294-F302 AromaticContact CE2-CE1 3.95Å; Y294-F302 HydrophobicContact CE2-CE1 3.95Å; Y294-F302 HydrophobicContact CE2-CZ 4.35Å; Y294-F302 AromaticContact CZ-CE1 3.8Å; Y294-F302 AromaticContact CZ-CZ 3.73Å; Y294-F302 WeakPolarHBondContact OH-CZ 3.31Å; Y294-W307 AromaticContact CD2-CH2 3.94Å; Y294-W307 HydrophobicContact CD2-CH2 3.94Å; Y294-W307 AromaticContact CD2-CZ2 3.9Å; Y294-W307 HydrophobicContact CD2-CZ2 3.9Å; Y294-V308 HydrophobicContact CD2-CG2 3.79Å; Y294-V308 HydrophobicContact CE2-CG1 3.86Å; Y294-V308 HydrophobicContact CE2-CG2 3.85Å; Y294-Q321 HydrophobicContact CE2-CB 4.03Å; Y294-Q321 HydrophobicContact CE2-CG 4.34Å; Y294-Q321 PolarHBondContact OH-NE2 3.31Å; Y294-Q321 VanDerWaalsContact OH-NE2 3.08Å; Y294-Q321 PolarHBondContact OH-OE1 3.34Å; Y294-Q321 VanDerWaalsContact OH-OE1 3.12Å
295	L	92.8	Very high	93.9	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.068	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-45.5	-179.4	-178.9	57.5	0	0	0	112.6	I141 T142 L242 C291 L292 L298 L299	I141-L295 HydrophobicContact CG2-CD1 4.35Å; T142-L295 HydrophobicContact CG2-CB 3.68Å; T142-L295 HydrophobicContact CG2-CD1 3.88Å; T142-L295 HydrophobicContact CG2-CG 4.21Å; L242-L295 HydrophobicContact CD1-CD2 3.96Å; C291-L295 WeakPolarHBondContact O-CB 3.32Å; C291-L295 PolarHBondContact O-N 3.07Å; L292-L295 PolarHBondContact O-N 3.38Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 3.07Å; L295-L299 HydrophobicContact CD1-CD1 3.97Å; L295-L299 HydrophobicContact CD1-CD2 4.38Å; L295-L299 HydrophobicContact CD1-CG 3.93Å; L295-L299 HydrophobicContact CD2-CD1 4.48Å; L295-L299 HydrophobicContact CG-CD1 3.87Å; L295-L299 HydrophobicContact CG-CG 4.24Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.49Å
296	V	92.6	Very high	93.9	Very high	36 Å²	36	34 Å²	34	22%	0.218	18%	0.181	C	C	.	.	H	α-helix	trans	-68.9	-46.8	-174.9	-177.3	0	0	0	0	112.2	L292 Y294 L298 L299 Q300 I351	L292-V296 HydrophobicContact CD1-CG2 4.09Å; L292-V296 PolarHBondContact O-N 3.46Å; Y294-V296 PolarHBondContact O-N 3.18Å; V296-L298 VanDerWaalsContact C-N 3.28Å; V296-L298 PolarHBondContact O-N 3.26Å; V296-L299 PolarHBondContact O-N 2.91Å; V296-L299 VanDerWaalsContact O-N 3.12Å; V296-Q300 HydrophobicContact CG1-CG 4.4Å; V296-Q300 WeakPolarHBondContact O-CG 2.95Å; V296-Q300 PolarHBondContact O-N 2.96Å; V296-I351 HydrophobicContact CB-CD1 3.5Å; V296-I351 VanDerWaalsContact CB-CD1 3.5Å; V296-I351 HydrophobicContact CG1-CD1 3.84Å; V296-I351 HydrophobicContact CG2-CD1 3.61Å; V296-I351 HydrophobicContact CG2-CG1 4.45Å
297	P	93.5	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-51.9	-42.8	168.2	-30.6	37.1	0	0	0	113.7	Q293 Y294 Q300 D301 F302 C306 V308	Q293-P297 VanDerWaalsContact O-CD 3.28Å; Q293-P297 WeakPolarHBondContact O-CD 3.25Å; Q293-P297 WeakPolarHBondContact O-CG 3.37Å; Y294-P297 WeakPolarHBondContact O-CD 3.44Å; P297-Q300 CarbonylContact O-C 3.48Å; P297-Q300 PolarHBondContact O-N 3.44Å; P297-D301 PolarHBondContact O-N 3.25Å; P297-F302 HydrophobicContact CB-CD1 3.96Å; P297-F302 HydrophobicContact CB-CE1 4.25Å; P297-F302 PolarHBondContact O-N 2.69Å; P297-C306 HydrophobicContact CB-CB 4.23Å; P297-C306 HydrophobicContact CG-CB 4.31Å; P297-V308 HydrophobicContact CB-CG2 4.03Å; P297-V308 HydrophobicContact CG-CG2 4.31Å
298	L	90.4	Very high	93.7	Very high	38 Å²	38	33.7 Å²	33.7	20%	0.199	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-41.9	176.2	173.3	70.4	0	0	0	112.6	T142 Y294 L295 V296 Q300 D301 F302	T142-L298 WeakPolarHBondContact O-CD2 3.33Å; Y294-L298 WeakPolarHBondContact O-CB 3.3Å; Y294-L298 PolarHBondContact O-N 3.38Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 3.07Å; V296-L298 VanDerWaalsContact C-N 3.28Å; V296-L298 PolarHBondContact O-N 3.26Å; L298-Q300 PolarHBondContact O-N 2.89Å; L298-D301 PolarHBondContact O-N 3.46Å; L298-F302 HydrophobicContact CB-CE1 4.12Å; L298-F302 HydrophobicContact CB-CE2 4.5Å; L298-F302 HydrophobicContact CB-CZ 3.84Å; L298-F302 HydrophobicContact CD1-CE2 3.66Å; L298-F302 HydrophobicContact CD1-CZ 3.59Å; L298-F302 HydrophobicContact CG-CZ 4.33Å
299	L	87.5	Confident	93.6	Very high	40 Å²	40	33 Å²	33	21%	0.209	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-21.5	176.2	-68.7	174.9	0	0	0	112.7	R235 L295 V296	R235-L299 HydrophobicContact CB-CD2 3.81Å; R235-L299 HydrophobicContact CG-CD2 3.8Å; R235-L299 PolarHBondContact NH1-O 3.14Å; L295-L299 HydrophobicContact CD1-CD1 3.97Å; L295-L299 HydrophobicContact CD1-CD2 4.38Å; L295-L299 HydrophobicContact CD1-CG 3.93Å; L295-L299 HydrophobicContact CD2-CD1 4.48Å; L295-L299 HydrophobicContact CG-CD1 3.87Å; L295-L299 HydrophobicContact CG-CG 4.24Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.49Å; V296-L299 PolarHBondContact O-N 2.91Å; V296-L299 VanDerWaalsContact O-N 3.12Å
300	Q	89.6	Confident	93.5	Very high	85 Å²	85	34.5 Å²	34.5	40%	0.397	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	8.1	175.8	-66.3	-176.2	-62	0	0	114	V296 P297 L298 F302 P303 S347	V296-Q300 HydrophobicContact CG1-CG 4.4Å; V296-Q300 WeakPolarHBondContact O-CG 2.95Å; V296-Q300 PolarHBondContact O-N 2.96Å; P297-Q300 CarbonylContact O-C 3.48Å; P297-Q300 PolarHBondContact O-N 3.44Å; L298-Q300 PolarHBondContact O-N 2.89Å; Q300-F302 VanDerWaalsContact C-N 3.34Å; Q300-F302 PolarHBondContact O-N 3.42Å; Q300-P303 HydrophobicContact CB-CG 4.11Å; Q300-S347 VanDerWaalsContact OE1-CB 3.32Å; Q300-S347 PolarHBondContact OE1-OG 3.32Å
301	D	89.4	Confident	93.4	Very high	103 Å²	103	36.7 Å²	36.7	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	34.3	-176.2	-54.9	-61.2	0	0	0	114.7	R235 P297 L298	R235-D301 IonicContact CZ-OD1 3.29Å; R235-D301 VanDerWaalsContact CZ-OD1 3.29Å; R235-D301 IonicContact CZ-OD2 3.15Å; R235-D301 VanDerWaalsContact NH1-CG 3.34Å; R235-D301 IonicContact NH1-OD1 3.46Å; R235-D301 PolarHBondContact NH1-OD1 2.92Å; R235-D301 IonicContact NH1-OD2 2.7Å; R235-D301 PolarHBondContact NH1-OD2 3.12Å; R235-D301 IonicContact NH2-OD1 2.76Å; R235-D301 PolarHBondContact NH2-OD1 3.4Å; R235-D301 IonicContact NH2-OD2 2.76Å; R235-D301 PolarHBondContact NH2-OD2 3.27Å; P297-D301 PolarHBondContact O-N 3.25Å; L298-D301 PolarHBondContact O-N 3.46Å
302	F	93	Very high	93.3	Very high	41 Å²	41	39.3 Å²	39.3	18%	0.18	23%	0.228	C	C	.	.			trans	53.6	62	177.4	-59.3	-69	0	0	0	114.4	Y294 P297 L298 Q300 V308 S309 V314	Y294-F302 HydrophobicContact CE1-CE1 4.4Å; Y294-F302 HydrophobicContact CE1-CZ 4.18Å; Y294-F302 AromaticContact CE2-CE1 3.95Å; Y294-F302 HydrophobicContact CE2-CE1 3.95Å; Y294-F302 HydrophobicContact CE2-CZ 4.35Å; Y294-F302 AromaticContact CZ-CE1 3.8Å; Y294-F302 AromaticContact CZ-CZ 3.73Å; Y294-F302 WeakPolarHBondContact OH-CZ 3.31Å; P297-F302 HydrophobicContact CB-CD1 3.96Å; P297-F302 HydrophobicContact CB-CE1 4.25Å; P297-F302 PolarHBondContact O-N 2.69Å; L298-F302 HydrophobicContact CB-CE1 4.12Å; L298-F302 HydrophobicContact CB-CE2 4.5Å; L298-F302 HydrophobicContact CB-CZ 3.84Å; L298-F302 HydrophobicContact CD1-CE2 3.66Å; L298-F302 HydrophobicContact CD1-CZ 3.59Å; L298-F302 HydrophobicContact CG-CZ 4.33Å; Q300-F302 VanDerWaalsContact C-N 3.34Å; Q300-F302 PolarHBondContact O-N 3.42Å; F302-V308 HydrophobicContact CD1-CB 3.98Å; F302-V308 HydrophobicContact CD1-CG1 3.94Å; F302-V308 HydrophobicContact CD1-CG2 4.26Å; F302-V308 HydrophobicContact CE1-CB 4.29Å; F302-V308 HydrophobicContact CE1-CG1 3.98Å; F302-V308 HydrophobicContact CE1-CG2 4.24Å; F302-S309 PolarHBondContact O-OG 3Å; F302-V314 HydrophobicContact CB-CG1 4.38Å; F302-V314 HydrophobicContact CB-CG2 4.08Å; F302-V314 HydrophobicContact CD2-CG1 3.75Å; F302-V314 HydrophobicContact CE2-CG1 4.17Å; F302-V314 HydrophobicContact CG-CG1 4.07Å; F302-V314 HydrophobicContact CG-CG2 4.23Å
303	P	94	Very high	93.3	Very high	28 Å²	28	36.9 Å²	36.9	18%	0.182	22%	0.215	C	C	.	.			trans	-61.1	152.9	-176.3	29.8	-36.1	0	0	0	111.5	Q300 D305 C306 S309	Q300-P303 HydrophobicContact CB-CG 4.11Å; P303-D305 WeakPolarHBondContact CB-OD1 3.46Å; P303-D305 PolarHBondContact O-N 2.91Å; P303-C306 HydrophobicContact CG-CB 4.09Å; P303-C306 PolarHBondContact O-N 3.45Å; P303-C306 PolarHBondContact O-SG 2.95Å; P303-S309 WeakPolarHBondContact O-CB 3.26Å; P303-S309 PolarHBondContact O-OG 3.16Å
304	P	93.7	Very high	93.2	Very high	111 Å²	111	38.9 Å²	38.9	72%	0.721	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.3	-165.9	26.4	-35.8	0	0	0	114.4	L310	P304-L310 VanDerWaalsContact O-CD2 3.24Å; P304-L310 WeakPolarHBondContact O-CD2 3.5Å; P304-L310 WeakPolarHBondContact O-CG 3.49Å
305	D	93.8	Very high	93	Very high	59 Å²	59	46 Å²	46	32%	0.316	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.8	178.7	63.5	-40.6	0	0	0	114.2	P303 L310 S345	P303-D305 WeakPolarHBondContact CB-OD1 3.46Å; P303-D305 PolarHBondContact O-N 2.91Å; D305-L310 WeakPolarHBondContact O-CD1 3.36Å; D305-S345 PolarHBondContact O-N 3.09Å; D305-S345 WeakPolarHBondContact OD2-CA 3.46Å; D305-S345 WeakPolarHBondContact OD2-CB 3.38Å; D305-S345 PolarHBondContact OD2-OG 2.87Å
306	C	94.9	Very high	93.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-83	152.2	173.4	80.5	0	0	0	0	112.7	P297 P303 V308 S309 L310 D348	P297-C306 HydrophobicContact CB-CB 4.23Å; P297-C306 HydrophobicContact CG-CB 4.31Å; P303-C306 HydrophobicContact CG-CB 4.09Å; P303-C306 PolarHBondContact O-N 3.45Å; P303-C306 PolarHBondContact O-SG 2.95Å; C306-V308 PolarHBondContact O-N 2.94Å; C306-V308 VanDerWaalsContact O-N 3.09Å; C306-S309 PolarHBondContact O-N 2.85Å; C306-L310 VanDerWaalsContact O-CB 3.25Å; C306-L310 WeakPolarHBondContact O-CB 3.39Å; C306-L310 VanDerWaalsContact O-CG 3.26Å; C306-L310 WeakPolarHBondContact O-CG 3.38Å; C306-L310 PolarHBondContact O-N 3.46Å; C306-D348 VanDerWaalsContact CA-OD2 3.32Å; C306-D348 WeakPolarHBondContact CA-OD2 3.46Å
307	W	95.1	Very high	93.2	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.038	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-28	-175.8	73.3	-92.7	0	0	0	114.5	Q293 Y294 N311 M313 Y324 A325 D348	Q293-W307 PolarHBondContact O-NE1 2.76Å; Y294-W307 AromaticContact CD2-CH2 3.94Å; Y294-W307 HydrophobicContact CD2-CH2 3.94Å; Y294-W307 AromaticContact CD2-CZ2 3.9Å; Y294-W307 HydrophobicContact CD2-CZ2 3.9Å; W307-N311 VanDerWaalsContact O-CB 3.27Å; W307-N311 WeakPolarHBondContact O-CB 3.48Å; W307-N311 PolarHBondContact O-N 2.89Å; W307-N311 PolarHBondContact O-ND2 2.95Å; W307-M313 HydrophobicContact CE3-CE 4.33Å; W307-M313 HydrophobicContact CZ3-CE 3.88Å; W307-Y324 AromaticContact CE3-CD1 3.84Å; W307-Y324 HydrophobicContact CE3-CD1 3.84Å; W307-Y324 AromaticContact CE3-CE1 3.75Å; W307-Y324 HydrophobicContact CE3-CE1 3.75Å; W307-Y324 HydrophobicContact CH2-CD1 4.01Å; W307-Y324 AromaticContact CZ3-CD1 3.29Å; W307-Y324 HydrophobicContact CZ3-CD1 3.29Å; W307-Y324 AromaticContact CZ3-CE1 3.73Å; W307-Y324 HydrophobicContact CZ3-CE1 3.73Å; W307-Y324 HydrophobicContact CZ3-CG 4.27Å; W307-A325 HydrophobicContact CH2-CB 3.85Å; W307-A325 HydrophobicContact CZ2-CB 4.03Å; W307-D348 PolarHBondContact N-OD2 2.65Å
308	V	95.6	Very high	93.2	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.6	-51.6	179.4	-172.9	0	0	0	0	110.6	Y294 P297 F302 C306 N311 G312 M313 V314	Y294-V308 HydrophobicContact CD2-CG2 3.79Å; Y294-V308 HydrophobicContact CE2-CG1 3.86Å; Y294-V308 HydrophobicContact CE2-CG2 3.85Å; P297-V308 HydrophobicContact CB-CG2 4.03Å; P297-V308 HydrophobicContact CG-CG2 4.31Å; F302-V308 HydrophobicContact CD1-CB 3.98Å; F302-V308 HydrophobicContact CD1-CG1 3.94Å; F302-V308 HydrophobicContact CD1-CG2 4.26Å; F302-V308 HydrophobicContact CE1-CB 4.29Å; F302-V308 HydrophobicContact CE1-CG1 3.98Å; F302-V308 HydrophobicContact CE1-CG2 4.24Å; C306-V308 PolarHBondContact O-N 2.94Å; C306-V308 VanDerWaalsContact O-N 3.09Å; V308-N311 PolarHBondContact O-N 3.34Å; V308-G312 PolarHBondContact O-N 2.97Å; V308-M313 HydrophobicContact CG1-CB 4.41Å; V308-M313 PolarHBondContact O-N 3.01Å; V308-V314 HydrophobicContact CG1-CG2 3.95Å
309	S	94.9	Very high	93.5	Very high	33 Å²	33	55.4 Å²	55.4	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-44.9	178	-60.2	0	0	0	0	111.2	F302 P303 C306 N311 G312	F302-S309 PolarHBondContact O-OG 3Å; P303-S309 WeakPolarHBondContact O-CB 3.26Å; P303-S309 PolarHBondContact O-OG 3.16Å; C306-S309 PolarHBondContact O-N 2.85Å; S309-N311 PolarHBondContact O-N 2.91Å; S309-N311 VanDerWaalsContact O-N 3.16Å; S309-G312 PolarHBondContact O-N 2.9Å
310	L	94.1	Very high	93.8	Very high	49 Å²	49	59.1 Å²	59.1	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-20.2	177.6	-75.4	-179.8	0	0	0	114.6	P304 D305 C306 R341 V344	P304-L310 VanDerWaalsContact O-CD2 3.24Å; P304-L310 WeakPolarHBondContact O-CD2 3.5Å; P304-L310 WeakPolarHBondContact O-CG 3.49Å; D305-L310 WeakPolarHBondContact O-CD1 3.36Å; C306-L310 VanDerWaalsContact O-CB 3.25Å; C306-L310 WeakPolarHBondContact O-CB 3.39Å; C306-L310 VanDerWaalsContact O-CG 3.26Å; C306-L310 WeakPolarHBondContact O-CG 3.38Å; C306-L310 PolarHBondContact O-N 3.46Å; L310-R341 PolarHBondContact O-NH1 3.39Å; L310-V344 HydrophobicContact CD1-CB 4.32Å; L310-V344 HydrophobicContact CD1-CG2 4.18Å
311	N	94.3	Very high	94.1	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.6	175.4	-65.2	-14.7	0	0	0	112.9	W307 V308 S309 M313 Y324	W307-N311 VanDerWaalsContact O-CB 3.27Å; W307-N311 WeakPolarHBondContact O-CB 3.48Å; W307-N311 PolarHBondContact O-N 2.89Å; W307-N311 PolarHBondContact O-ND2 2.95Å; V308-N311 PolarHBondContact O-N 3.34Å; S309-N311 PolarHBondContact O-N 2.91Å; S309-N311 VanDerWaalsContact O-N 3.16Å; N311-M313 VanDerWaalsContact C-N 3.32Å; N311-M313 HydrophobicContact CB-CE 3.66Å; N311-M313 HydrophobicContact CB-CG 4.23Å; N311-M313 WeakPolarHBondContact O-CG 3.29Å; N311-M313 PolarHBondContact O-N 3.42Å; N311-Y324 PolarHBondContact ND2-OH 3.28Å; N311-Y324 VanDerWaalsContact ND2-OH 3.12Å
312	G	94.3	Very high	94.5	Very high	59 Å²	59	53.2 Å²	53.2	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	25.5	-179.3	0	0	0	0	0	114.5	V308 S309	V308-G312 PolarHBondContact O-N 2.97Å; S309-G312 PolarHBondContact O-N 2.9Å
313	M	94.1	Very high	94.7	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.064	32%	0.318	C	S	.	.			trans	-106.5	14.3	-169.5	-67	-162	-70.1	0	0	115.2	W307 V308 N311 N315 V316 Q321 Y324	W307-M313 HydrophobicContact CE3-CE 4.33Å; W307-M313 HydrophobicContact CZ3-CE 3.88Å; V308-M313 HydrophobicContact CG1-CB 4.41Å; V308-M313 PolarHBondContact O-N 3.01Å; N311-M313 VanDerWaalsContact C-N 3.32Å; N311-M313 HydrophobicContact CB-CE 3.66Å; N311-M313 HydrophobicContact CB-CG 4.23Å; N311-M313 WeakPolarHBondContact O-CG 3.29Å; N311-M313 PolarHBondContact O-N 3.42Å; M313-N315 PolarHBondContact O-N 3.16Å; M313-V316 HydrophobicContact CB-CG2 3.95Å; M313-V316 HydrophobicContact CG-CG2 4.22Å; M313-Q321 PolarHBondContact O-NE2 2.74Å; M313-Y324 HydrophobicContact CE-CD1 3.68Å; M313-Y324 HydrophobicContact CE-CD2 3.72Å; M313-Y324 HydrophobicContact CE-CE1 3.95Å; M313-Y324 HydrophobicContact CE-CE2 3.98Å; M313-Y324 HydrophobicContact CE-CG 3.55Å; M313-Y324 HydrophobicContact SD-CD2 4.36Å; M313-Y324 HydrophobicContact SD-CG 4.4Å
314	V	93.6	Very high	94.9	Very high	45 Å²	45	55.5 Å²	55.5	27%	0.273	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-39.1	177.3	-176	0	0	0	0	111.8	F302 V308 Q321	F302-V314 HydrophobicContact CB-CG1 4.38Å; F302-V314 HydrophobicContact CB-CG2 4.08Å; F302-V314 HydrophobicContact CD2-CG1 3.75Å; F302-V314 HydrophobicContact CE2-CG1 4.17Å; F302-V314 HydrophobicContact CG-CG1 4.07Å; F302-V314 HydrophobicContact CG-CG2 4.23Å; V308-V314 HydrophobicContact CG1-CG2 3.95Å; V314-Q321 PolarHBondContact O-NE2 3.29Å
315	N	92.1	Very high	95.1	Very high	158 Å²	158	50.2 Å²	50.2	85%	0.845	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	20.4	-172.5	-62.2	-20.8	0	0	0	113.9	M313	M313-N315 PolarHBondContact O-N 3.16Å
316	V	94.3	Very high	95.2	Very high	45 Å²	45	49.3 Å²	49.3	27%	0.273	28%	0.278	S	S	.	.	S	Bend	trans	-93.5	165.8	175.3	-54.6	0	0	0	0	110.9	M313 K320 Q321	M313-V316 HydrophobicContact CB-CG2 3.95Å; M313-V316 HydrophobicContact CG-CG2 4.22Å; V316-K320 HydrophobicContact CB-CD 4.26Å; V316-K320 HydrophobicContact CG2-CB 4.18Å; V316-K320 HydrophobicContact CG2-CD 4Å; V316-K320 HydrophobicContact CG2-CG 4.17Å; V316-Q321 HydrophobicContact CG2-CG 3.69Å; V316-Q321 PolarHBondContact O-NE2 2.94Å
317	S	95.4	Very high	95.4	Very high	84 Å²	84	54.6 Å²	54.6	59%	0.587	30%	0.301	S	S	*	.			trans	-58.4	140.9	-177.7	57.4	0	0	0	0	112.9	G319 K320 Q321	S317-G319 PolarHBondContact O-N 3.39Å; S317-G319 VanDerWaalsContact O-N 3.11Å; S317-K320 WeakPolarHBondContact O-CA 3.33Å; S317-K320 WeakPolarHBondContact O-CB 3.33Å; S317-K320 PolarHBondContact O-N 3.16Å; S317-Q321 PolarHBondContact O-N 3.36Å
318	W	94	Very high	95.4	Very high	130 Å²	130	54.4 Å²	54.4	49%	0.492	30%	0.301	S	S	.	.	H	α-helix	trans	-52.3	-38.2	-175.4	74.6	-98.6	0	0	0	113.4	V139 F143 F144 K320 Q321 Y322	V139-W318 HydrophobicContact CG1-CZ3 4.23Å; F143-W318 HydrophobicContact CB-CB 4.2Å; F143-W318 HydrophobicContact CB-CE3 4.47Å; F144-W318 AromaticContact CE1-CD2 3.86Å; F144-W318 HydrophobicContact CE1-CD2 3.86Å; F144-W318 AromaticContact CE1-CE2 3.95Å; F144-W318 HydrophobicContact CE1-CE3 4.17Å; F144-W318 HydrophobicContact CE1-CG 4.21Å; F144-W318 HydrophobicContact CE1-CZ2 4.35Å; W318-K320 VanDerWaalsContact C-N 3.32Å; W318-K320 PolarHBondContact O-N 3.18Å; W318-Q321 WeakPolarHBondContact O-CB 3.47Å; W318-Q321 PolarHBondContact O-N 2.98Å; W318-Y322 WeakPolarHBondContact O-CB 3.42Å; W318-Y322 PolarHBondContact O-N 3.48Å
319	G	95.4	Very high	95.5	Very high	26 Å²	26	54.4 Å²	54.4	27%	0.268	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-32.6	177.1	0	0	0	0	0	113.6	S317 S323	S317-G319 PolarHBondContact O-N 3.39Å; S317-G319 VanDerWaalsContact O-N 3.11Å; G319-S323 VanDerWaalsContact O-CB 3.23Å; G319-S323 WeakPolarHBondContact O-CB 3.43Å; G319-S323 PolarHBondContact O-N 2.81Å; G319-S323 PolarHBondContact O-OG 3.36Å
320	K	95.4	Very high	95.7	Very high	118 Å²	118	56.2 Å²	56.2	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-73.5	-40.1	173.5	-176.6	176.4	176.6	-177.9	0	111.4	V316 S317 W318 Y324	V316-K320 HydrophobicContact CB-CD 4.26Å; V316-K320 HydrophobicContact CG2-CB 4.18Å; V316-K320 HydrophobicContact CG2-CD 4Å; V316-K320 HydrophobicContact CG2-CG 4.17Å; S317-K320 WeakPolarHBondContact O-CA 3.33Å; S317-K320 WeakPolarHBondContact O-CB 3.33Å; S317-K320 PolarHBondContact O-N 3.16Å; W318-K320 VanDerWaalsContact C-N 3.32Å; W318-K320 PolarHBondContact O-N 3.18Å; K320-Y324 WeakPolarHBondContact O-CB 3.41Å; K320-Y324 PolarHBondContact O-N 3.16Å
321	Q	95.8	Very high	95.8	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-50.7	175.1	-60.9	173.7	-34.2	0	0	110.8	F143 Y294 M313 V314 V316 S317 W318 Y324 A325	F143-Q321 HydrophobicContact CD1-CB 3.9Å; F143-Q321 HydrophobicContact CE1-CB 3.71Å; Y294-Q321 HydrophobicContact CE2-CB 4.03Å; Y294-Q321 HydrophobicContact CE2-CG 4.34Å; Y294-Q321 PolarHBondContact OH-NE2 3.31Å; Y294-Q321 VanDerWaalsContact OH-NE2 3.08Å; Y294-Q321 PolarHBondContact OH-OE1 3.34Å; Y294-Q321 VanDerWaalsContact OH-OE1 3.12Å; M313-Q321 PolarHBondContact O-NE2 2.74Å; V314-Q321 PolarHBondContact O-NE2 3.29Å; V316-Q321 HydrophobicContact CG2-CG 3.69Å; V316-Q321 PolarHBondContact O-NE2 2.94Å; S317-Q321 PolarHBondContact O-N 3.36Å; W318-Q321 WeakPolarHBondContact O-CB 3.47Å; W318-Q321 PolarHBondContact O-N 2.98Å; Q321-Y324 PolarHBondContact O-N 3.35Å; Q321-A325 WeakPolarHBondContact O-CB 3.43Å; Q321-A325 PolarHBondContact O-N 2.96Å
322	Y	97.4	Very high	96	Very high	50 Å²	50	52.1 Å²	52.1	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-48.9	176	171.7	-108	0	0	0	112.3	V139 F143 H287 W318 Y324 A325 L326	V139-Y322 HydrophobicContact CG2-CD2 4.48Å; V139-Y322 HydrophobicContact CG2-CE2 4.25Å; F143-Y322 HydrophobicContact CD2-CD2 4.23Å; F143-Y322 AromaticContact CE2-CD2 3.64Å; F143-Y322 HydrophobicContact CE2-CD2 3.64Å; F143-Y322 HydrophobicContact CE2-CG 4.27Å; F143-Y322 HydrophobicContact CZ-CD2 4.13Å; H287-Y322 AromaticContact CE1-CE2 3.79Å; H287-Y322 AromaticContact ND1-CE2 3.58Å; H287-Y322 AromaticContact ND1-CZ 3.66Å; H287-Y322 PolarHBondContact ND1-OH 3.29Å; W318-Y322 WeakPolarHBondContact O-CB 3.42Å; W318-Y322 PolarHBondContact O-N 3.48Å; Y322-Y324 VanDerWaalsContact C-N 3.28Å; Y322-Y324 PolarHBondContact O-N 2.77Å; Y322-A325 PolarHBondContact O-N 2.84Å; Y322-L326 HydrophobicContact CE1-CD2 4.23Å; Y322-L326 VanDerWaalsContact O-CB 3.32Å; Y322-L326 WeakPolarHBondContact O-CB 3.48Å; Y322-L326 PolarHBondContact O-N 2.97Å
323	S	97.5	Very high	96.1	Very high	72 Å²	72	49.5 Å²	49.5	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-38.9	-179.5	-60.7	0	0	0	0	112.2	G319 F327	G319-S323 VanDerWaalsContact O-CB 3.23Å; G319-S323 WeakPolarHBondContact O-CB 3.43Å; G319-S323 PolarHBondContact O-N 2.81Å; G319-S323 PolarHBondContact O-OG 3.36Å; S323-F327 WeakPolarHBondContact O-CB 3.16Å; S323-F327 PolarHBondContact O-N 2.96Å
324	Y	97.3	Very high	96.2	Very high	46 Å²	46	52.3 Å²	52.3	18%	0.18	27%	0.271	C	S	.	.	H	α-helix	trans	-73.1	-40.5	176.5	-168.5	-79.5	0	0	0	112.6	W307 N311 M313 K320 Q321 Y322 L326 F327 K328 A340	W307-Y324 AromaticContact CE3-CD1 3.84Å; W307-Y324 HydrophobicContact CE3-CD1 3.84Å; W307-Y324 AromaticContact CE3-CE1 3.75Å; W307-Y324 HydrophobicContact CE3-CE1 3.75Å; W307-Y324 HydrophobicContact CH2-CD1 4.01Å; W307-Y324 AromaticContact CZ3-CD1 3.29Å; W307-Y324 HydrophobicContact CZ3-CD1 3.29Å; W307-Y324 AromaticContact CZ3-CE1 3.73Å; W307-Y324 HydrophobicContact CZ3-CE1 3.73Å; W307-Y324 HydrophobicContact CZ3-CG 4.27Å; N311-Y324 PolarHBondContact ND2-OH 3.28Å; N311-Y324 VanDerWaalsContact ND2-OH 3.12Å; M313-Y324 HydrophobicContact CE-CD1 3.68Å; M313-Y324 HydrophobicContact CE-CD2 3.72Å; M313-Y324 HydrophobicContact CE-CE1 3.95Å; M313-Y324 HydrophobicContact CE-CE2 3.98Å; M313-Y324 HydrophobicContact CE-CG 3.55Å; M313-Y324 HydrophobicContact SD-CD2 4.36Å; M313-Y324 HydrophobicContact SD-CG 4.4Å; K320-Y324 WeakPolarHBondContact O-CB 3.41Å; K320-Y324 PolarHBondContact O-N 3.16Å; Q321-Y324 PolarHBondContact O-N 3.35Å; Y322-Y324 VanDerWaalsContact C-N 3.28Å; Y322-Y324 PolarHBondContact O-N 2.77Å; Y324-L326 VanDerWaalsContact C-N 3.35Å; Y324-F327 HydrophobicContact CE2-CD1 4.47Å; Y324-F327 WeakPolarHBondContact O-CB 3.41Å; Y324-F327 PolarHBondContact O-N 3.44Å; Y324-K328 PolarHBondContact O-N 3.12Å; Y324-A340 WeakPolarHBondContact OH-CB 3.13Å; Y324-A340 PolarHBondContact OH-N 3.23Å
325	A	97.1	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-42	177.5	0	0	0	0	0	111.4	F143 G290 W307 Q321 Y322 K328 A329	F143-A325 HydrophobicContact CZ-CB 4.25Å; G290-A325 WeakPolarHBondContact CA-O 3.28Å; G290-A325 VanDerWaalsContact O-CB 3.31Å; G290-A325 WeakPolarHBondContact O-CB 3.25Å; W307-A325 HydrophobicContact CH2-CB 3.85Å; W307-A325 HydrophobicContact CZ2-CB 4.03Å; Q321-A325 WeakPolarHBondContact O-CB 3.43Å; Q321-A325 PolarHBondContact O-N 2.96Å; Y322-A325 PolarHBondContact O-N 2.84Å; A325-K328 PolarHBondContact O-N 3.19Å; A325-A329 PolarHBondContact O-N 3.43Å
326	L	97.6	Very high	96.5	Very high	39 Å²	39	52.8 Å²	52.8	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-42.8	171.9	-177.1	68.1	0	0	0	111.7	H287 Y322 Y324 K328 A329 M330	H287-L326 HydrophobicContact CB-CD1 4.5Å; Y322-L326 HydrophobicContact CE1-CD2 4.23Å; Y322-L326 VanDerWaalsContact O-CB 3.32Å; Y322-L326 WeakPolarHBondContact O-CB 3.48Å; Y322-L326 PolarHBondContact O-N 2.97Å; Y324-L326 VanDerWaalsContact C-N 3.35Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.19Å; L326-A329 PolarHBondContact O-N 2.86Å; L326-M330 VanDerWaalsContact O-CB 3.22Å; L326-M330 WeakPolarHBondContact O-CB 3.42Å; L326-M330 PolarHBondContact O-N 3.16Å
327	F	97.6	Very high	96.1	Very high	111 Å²	111	51.8 Å²	51.8	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-42.7	173.3	163.8	-108.6	0	0	0	112.1	S323 Y324 M330 S331	S323-F327 WeakPolarHBondContact O-CB 3.16Å; S323-F327 PolarHBondContact O-N 2.96Å; Y324-F327 HydrophobicContact CE2-CD1 4.47Å; Y324-F327 WeakPolarHBondContact O-CB 3.41Å; Y324-F327 PolarHBondContact O-N 3.44Å; F327-M330 PolarHBondContact O-N 2.97Å; F327-S331 WeakPolarHBondContact O-CB 3.29Å; F327-S331 PolarHBondContact O-N 3.35Å
328	K	96.8	Very high	95.4	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-49.8	177.5	-169.2	172.4	173.9	-88.3	0	111.2	Q293 Y324 A325 L326 M330 S331 H332 Y338 T352	Q293-K328 VanDerWaalsContact OE1-CG 3.26Å; Y324-K328 PolarHBondContact O-N 3.12Å; A325-K328 PolarHBondContact O-N 3.19Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.19Å; K328-M330 PolarHBondContact O-N 2.96Å; K328-S331 WeakPolarHBondContact O-CB 3.45Å; K328-S331 PolarHBondContact O-N 3.37Å; K328-S331 PolarHBondContact O-OG 3.35Å; K328-H332 PolarHBondContact O-CD2 3.43Å; K328-H332 PolarHBondContact O-N 3.04Å; K328-Y338 VanDerWaalsContact CE-O 3.25Å; K328-Y338 WeakPolarHBondContact CE-O 3.46Å; K328-T352 PolarHBondContact NZ-OG1 3.04Å
329	A	97.6	Very high	95.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-46.5	173.6	0	0	0	0	0	112.9	C286 D289 G290 A325 L326 S331 H332 M333	C286-A329 WeakPolarHBondContact O-CB 3.48Å; D289-A329 HydrophobicContact CB-CB 3.95Å; D289-A329 WeakPolarHBondContact OD2-CA 3.22Å; D289-A329 VanDerWaalsContact OD2-CB 3.25Å; D289-A329 WeakPolarHBondContact OD2-CB 3.41Å; G290-A329 VanDerWaalsContact N-CB 3.33Å; A325-A329 PolarHBondContact O-N 3.43Å; L326-A329 PolarHBondContact O-N 2.86Å; A329-S331 VanDerWaalsContact C-N 3.29Å; A329-S331 PolarHBondContact O-N 3.41Å; A329-H332 PolarHBondContact O-N 3.46Å; A329-M333 WeakPolarHBondContact O-CB 3.28Å; A329-M333 PolarHBondContact O-N 2.81Å
330	M	97.4	Very high	94.8	Very high	71 Å²	71	50.1 Å²	50.1	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-35.8	177.4	-169.4	176.2	-69.1	0	0	112.2	C286 L326 F327 K328 H332 M333 L334	C286-M330 VanDerWaalsContact SG-CA 3.52Å; L326-M330 VanDerWaalsContact O-CB 3.22Å; L326-M330 WeakPolarHBondContact O-CB 3.42Å; L326-M330 PolarHBondContact O-N 3.16Å; F327-M330 PolarHBondContact O-N 2.97Å; K328-M330 PolarHBondContact O-N 2.96Å; M330-H332 VanDerWaalsContact C-N 3.26Å; M330-H332 PolarHBondContact O-N 3.36Å; M330-M333 PolarHBondContact O-N 2.89Å; M330-L334 HydrophobicContact CG-CD1 3.91Å; M330-L334 HydrophobicContact CG-CG 4.34Å; M330-L334 WeakPolarHBondContact O-CB 3.23Å; M330-L334 PolarHBondContact O-N 3.2Å
331	S	97.3	Very high	94.5	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.028	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-31.1	174.8	83	0	0	0	0	112.2	F327 K328 A329 C335 I336 G337	F327-S331 WeakPolarHBondContact O-CB 3.29Å; F327-S331 PolarHBondContact O-N 3.35Å; K328-S331 WeakPolarHBondContact O-CB 3.45Å; K328-S331 PolarHBondContact O-N 3.37Å; K328-S331 PolarHBondContact O-OG 3.35Å; A329-S331 VanDerWaalsContact C-N 3.29Å; A329-S331 PolarHBondContact O-N 3.41Å; S331-C335 PolarHBondContact O-N 3.41Å; S331-I336 WeakPolarHBondContact O-CA 3.28Å; S331-I336 PolarHBondContact O-N 2.96Å; S331-G337 PolarHBondContact O-N 3.2Å
332	H	97.2	Very high	94.4	Very high	4 Å²	4	52 Å²	52	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-81.1	-43.2	174.4	-53.9	163.5	0	0	0	111.2	K328 A329 M330 L334 C335 Y338 S355 M356	K328-H332 PolarHBondContact O-CD2 3.43Å; K328-H332 PolarHBondContact O-N 3.04Å; A329-H332 PolarHBondContact O-N 3.46Å; M330-H332 VanDerWaalsContact C-N 3.26Å; M330-H332 PolarHBondContact O-N 3.36Å; H332-L334 VanDerWaalsContact C-N 3.29Å; H332-L334 PolarHBondContact O-N 2.92Å; H332-C335 PolarHBondContact O-N 2.86Å; H332-C335 VanDerWaalsContact O-N 3.09Å; H332-Y338 AromaticContact NE2-CD1 3.93Å; H332-S355 VanDerWaalsContact CB-OG 3.23Å; H332-S355 WeakPolarHBondContact CB-OG 3.47Å; H332-S355 WeakPolarHBondContact ND1-CB 3.49Å; H332-S355 PolarHBondContact ND1-OG 3.01Å; H332-M356 HydrophobicContact CB-CG 4.19Å
333	M	96.9	Very high	94.3	Very high	4 Å²	4	51 Å²	51	2%	0.02	29%	0.289	C	S	.	.	H	α-helix	trans	-52.7	-44.2	175.6	-174.8	65.7	70.5	0	0	112.3	M282 L285 C286 A329 M330 C362	M282-M333 HydrophobicContact CG-CE 4.41Å; M282-M333 HydrophobicContact CG-CG 4.04Å; M282-M333 HydrophobicContact CG-SD 3.69Å; M282-M333 HydrophobicContact SD-CG 4.37Å; M282-M333 HydrophobicContact SD-SD 4.32Å; L285-M333 HydrophobicContact CB-CE 4.1Å; C286-M333 HydrophobicContact CB-CE 3.97Å; A329-M333 WeakPolarHBondContact O-CB 3.28Å; A329-M333 PolarHBondContact O-N 2.81Å; M330-M333 PolarHBondContact O-N 2.89Å; M333-C362 HydrophobicContact SD-CB 3.61Å
334	L	96.4	Very high	94.1	Very high	71 Å²	71	51.7 Å²	51.7	37%	0.372	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	16.3	-178.8	-56.5	-179.9	0	0	0	113.5	M330 H332 I336 Y363	M330-L334 HydrophobicContact CG-CD1 3.91Å; M330-L334 HydrophobicContact CG-CG 4.34Å; M330-L334 WeakPolarHBondContact O-CB 3.23Å; M330-L334 PolarHBondContact O-N 3.2Å; H332-L334 VanDerWaalsContact C-N 3.29Å; H332-L334 PolarHBondContact O-N 2.92Å; L334-I336 VanDerWaalsContact C-N 3.34Å; L334-I336 HydrophobicContact CB-CD1 4.28Å; L334-I336 HydrophobicContact CB-CG1 4.3Å; L334-I336 PolarHBondContact O-N 2.86Å; L334-Y363 HydrophobicContact CD2-CD2 4.22Å
335	C	96	Very high	93.9	Very high	82 Å²	82	50 Å²	50	55%	0.554	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	36.2	174.2	-59.6	0	0	0	0	115.5	S331 H332	S331-C335 PolarHBondContact O-N 3.41Å; H332-C335 PolarHBondContact O-N 2.86Å; H332-C335 VanDerWaalsContact O-N 3.09Å
336	I	96.4	Very high	93.8	Very high	132 Å²	132	55.8 Å²	55.8	68%	0.677	31%	0.313	S	S	*	.			trans	-96.7	-46.4	177.5	-50.4	176.2	0	0	0	111.7	S331 L334	S331-I336 WeakPolarHBondContact O-CA 3.28Å; S331-I336 PolarHBondContact O-N 2.96Å; L334-I336 VanDerWaalsContact C-N 3.34Å; L334-I336 HydrophobicContact CB-CD1 4.28Å; L334-I336 HydrophobicContact CB-CG1 4.3Å; L334-I336 PolarHBondContact O-N 2.86Å
337	G	86	Confident	93.6	Very high	24 Å²	24	55 Å²	55	25%	0.247	31%	0.31	C	S	.	.			trans	68.1	170	-171.2	0	0	0	0	0	114.2	S331	S331-G337 PolarHBondContact O-N 3.2Å
338	Y	81.3	Confident	93.5	Very high	105 Å²	105	49.8 Å²	49.8	41%	0.412	29%	0.288	S	S	.	.			cis	-120.6	11.4	-31.3	-80.9	-76.3	0	0	0	110.4	K328 H332 T352 M356	K328-Y338 VanDerWaalsContact CE-O 3.25Å; K328-Y338 WeakPolarHBondContact CE-O 3.46Å; H332-Y338 AromaticContact NE2-CD1 3.93Å; Y338-T352 HydrophobicContact CD1-CG2 3.79Å; Y338-T352 HydrophobicContact CE1-CG2 3.9Å; Y338-M356 HydrophobicContact CE1-CE 4.25Å; Y338-M356 HydrophobicContact CE1-SD 3.71Å
339	G	86.6	Confident	93.4	Very high	21 Å²	21	52.3 Å²	52.3	22%	0.216	30%	0.302	C	S	.	.	S	Bend	trans	87.1	-149.2	-150.5	0	0	0	0	0	111.3
340	A	89	Confident	93.4	Very high	78 Å²	78	60.6 Å²	60.6	65%	0.645	33%	0.333	S	S	*	.	S	Bend	trans	-81.7	-15.5	-175	0	0	0	0	0	115	Y324	Y324-A340 WeakPolarHBondContact OH-CB 3.13Å; Y324-A340 PolarHBondContact OH-N 3.23Å
341	R	90.1	Very high	93.3	Very high	108 Å²	108	58.1 Å²	58.1	41%	0.408	32%	0.321	S	S	.	.	S	Bend	trans	-156.4	160.7	-177.8	60.7	170.7	81.9	-150.7	-170.3	110.1	L310	L310-R341 PolarHBondContact O-NH1 3.39Å
342	A	93.7	Very high	93.3	Very high	62 Å²	62	58 Å²	58	51%	0.512	32%	0.32	S	S	.	.			trans	-62.7	151	164.3	0	0	0	0	0	110.7
343	P	94.3	Very high	93.2	Very high	31 Å²	31	61.6 Å²	61.6	20%	0.201	34%	0.338	C	S	.	.			trans	-62.6	139.1	174.8	27.2	-35.2	0	0	0	111.2	D348 L349 T352	P343-D348 HydrophobicContact CB-CB 3.83Å; P343-L349 HydrophobicContact CB-CB 4.32Å; P343-L349 HydrophobicContact CG-CB 4.34Å; P343-L349 HydrophobicContact CG-CD1 3.87Å; P343-T352 HydrophobicContact CG-CG2 4.2Å
344	V	93.6	Very high	93.2	Very high	85 Å²	85	65.9 Å²	65.9	52%	0.515	36%	0.36	S	S	.	.			trans	-108.4	-47.5	178.9	-176.9	0	0	0	0	110.6	L310	L310-V344 HydrophobicContact CD1-CB 4.32Å; L310-V344 HydrophobicContact CD1-CG2 4.18Å
345	S	93.9	Very high	93.3	Very high	12 Å²	12	62.6 Å²	62.6	8%	0.084	34%	0.343	C	S	.	.	S	Bend	trans	-67.2	148.8	174.4	-157.2	0	0	0	0	112.5	D305 S347 D348 L349	D305-S345 PolarHBondContact O-N 3.09Å; D305-S345 WeakPolarHBondContact OD2-CA 3.46Å; D305-S345 WeakPolarHBondContact OD2-CB 3.38Å; D305-S345 PolarHBondContact OD2-OG 2.87Å; S345-S347 VanDerWaalsContact C-N 3.32Å; S345-S347 PolarHBondContact O-N 2.76Å; S345-D348 PolarHBondContact O-N 2.95Å; S345-L349 WeakPolarHBondContact O-CB 3.47Å; S345-L349 PolarHBondContact O-N 3.32Å
346	M	94.6	Very high	93.3	Very high	121 Å²	121	62.2 Å²	62.2	60%	0.596	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-32.9	177.5	-65.8	-64.6	100	0	0	112.7	L349 W350	M346-L349 HydrophobicContact CE-CD2 3.96Å; M346-L349 HydrophobicContact SD-CD2 4.32Å; M346-W350 PolarHBondContact O-N 2.74Å; M346-W350 VanDerWaalsContact O-N 3.13Å
347	S	93.9	Very high	93.4	Very high	21 Å²	21	61.2 Å²	61.2	15%	0.147	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-51.1	174.6	45.2	0	0	0	0	111	Q300 S345 L349 W350 I351	Q300-S347 VanDerWaalsContact OE1-CB 3.32Å; Q300-S347 PolarHBondContact OE1-OG 3.32Å; S345-S347 VanDerWaalsContact C-N 3.32Å; S345-S347 PolarHBondContact O-N 2.76Å; S347-L349 PolarHBondContact O-N 3.45Å; S347-W350 PolarHBondContact O-N 3.31Å; S347-I351 WeakPolarHBondContact O-CD1 3.34Å; S347-I351 VanDerWaalsContact O-CG1 3.22Å; S347-I351 WeakPolarHBondContact O-CG1 3.47Å; S347-I351 PolarHBondContact O-N 3.15Å
348	D	94.3	Very high	93.8	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-37.2	175.6	-81.1	0.2	0	0	0	112.6	C306 W307 P343 S345 T352	C306-D348 VanDerWaalsContact CA-OD2 3.32Å; C306-D348 WeakPolarHBondContact CA-OD2 3.46Å; W307-D348 PolarHBondContact N-OD2 2.65Å; P343-D348 HydrophobicContact CB-CB 3.83Å; S345-D348 PolarHBondContact O-N 2.95Å; D348-T352 WeakPolarHBondContact O-CB 3.49Å; D348-T352 PolarHBondContact O-N 3.04Å; D348-T352 PolarHBondContact O-OG1 3.47Å
349	L	95.6	Very high	94.5	Very high	60 Å²	60	57.7 Å²	57.7	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-54.3	177.1	178.8	63	0	0	0	111.6	P343 S345 M346 S347 I351 T352 M353	P343-L349 HydrophobicContact CB-CB 4.32Å; P343-L349 HydrophobicContact CG-CB 4.34Å; P343-L349 HydrophobicContact CG-CD1 3.87Å; S345-L349 WeakPolarHBondContact O-CB 3.47Å; S345-L349 PolarHBondContact O-N 3.32Å; M346-L349 HydrophobicContact CE-CD2 3.96Å; M346-L349 HydrophobicContact SD-CD2 4.32Å; S347-L349 PolarHBondContact O-N 3.45Å; L349-I351 PolarHBondContact O-N 2.97Å; L349-T352 PolarHBondContact O-N 2.81Å; L349-M353 HydrophobicContact CD1-CG 4.48Å; L349-M353 HydrophobicContact CD1-SD 4.32Å; L349-M353 HydrophobicContact CG-SD 4.25Å; L349-M353 WeakPolarHBondContact O-CG 3.4Å; L349-M353 PolarHBondContact O-N 3.3Å
350	W	96.9	Very high	95	Very high	173 Å²	173	58.9 Å²	58.9	66%	0.655	32%	0.322	S	S	*	.	H	α-helix	trans	-63.1	-39.1	-179	-79.2	113.7	0	0	0	113	M346 S347 M353 L354	M346-W350 PolarHBondContact O-N 2.74Å; M346-W350 VanDerWaalsContact O-N 3.13Å; S347-W350 PolarHBondContact O-N 3.31Å; W350-M353 HydrophobicContact CE3-SD 4.29Å; W350-M353 HydrophobicContact CZ3-CE 4.19Å; W350-M353 HydrophobicContact CZ3-SD 4.43Å; W350-M353 PolarHBondContact O-N 3.36Å; W350-L354 WeakPolarHBondContact O-CB 3.26Å; W350-L354 PolarHBondContact O-N 2.98Å
351	I	95.5	Very high	95.3	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-39.2	176.2	-56.2	157.7	0	0	0	110.4	L292 Q293 V296 S347 L349 L354 S355	L292-I351 HydrophobicContact CG-CG2 4.38Å; Q293-I351 HydrophobicContact CG-CG2 3.6Å; V296-I351 HydrophobicContact CB-CD1 3.5Å; V296-I351 VanDerWaalsContact CB-CD1 3.5Å; V296-I351 HydrophobicContact CG1-CD1 3.84Å; V296-I351 HydrophobicContact CG2-CD1 3.61Å; V296-I351 HydrophobicContact CG2-CG1 4.45Å; S347-I351 WeakPolarHBondContact O-CD1 3.34Å; S347-I351 VanDerWaalsContact O-CG1 3.22Å; S347-I351 WeakPolarHBondContact O-CG1 3.47Å; S347-I351 PolarHBondContact O-N 3.15Å; L349-I351 PolarHBondContact O-N 2.97Å; I351-L354 PolarHBondContact O-N 3.43Å; I351-S355 WeakPolarHBondContact O-CB 3.26Å; I351-S355 PolarHBondContact O-N 3.45Å
352	T	96.2	Very high	95.5	Very high	2 Å²	2	55 Å²	55	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-42.4	175.4	-63.5	0	0	0	0	111.1	K328 Y338 P343 D348 L349 S355 M356	K328-T352 PolarHBondContact NZ-OG1 3.04Å; Y338-T352 HydrophobicContact CD1-CG2 3.79Å; Y338-T352 HydrophobicContact CE1-CG2 3.9Å; P343-T352 HydrophobicContact CG-CG2 4.2Å; D348-T352 WeakPolarHBondContact O-CB 3.49Å; D348-T352 PolarHBondContact O-N 3.04Å; D348-T352 PolarHBondContact O-OG1 3.47Å; L349-T352 PolarHBondContact O-N 2.81Å; T352-S355 PolarHBondContact O-N 2.92Å; T352-M356 HydrophobicContact CG2-SD 4Å; T352-M356 WeakPolarHBondContact O-CG 3.47Å; T352-M356 PolarHBondContact O-N 2.78Å
353	M	96.9	Very high	95.6	Very high	80 Å²	80	56.8 Å²	56.8	39%	0.394	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-44.4	174.1	-70.2	175.2	65.6	0	0	112.6	L349 W350 M356 I357	L349-M353 HydrophobicContact CD1-CG 4.48Å; L349-M353 HydrophobicContact CD1-SD 4.32Å; L349-M353 HydrophobicContact CG-SD 4.25Å; L349-M353 WeakPolarHBondContact O-CG 3.4Å; L349-M353 PolarHBondContact O-N 3.3Å; W350-M353 HydrophobicContact CE3-SD 4.29Å; W350-M353 HydrophobicContact CZ3-CE 4.19Å; W350-M353 HydrophobicContact CZ3-SD 4.43Å; W350-M353 PolarHBondContact O-N 3.36Å; M353-M356 PolarHBondContact O-N 2.79Å; M353-I357 WeakPolarHBondContact O-CG1 3.42Å; M353-I357 PolarHBondContact O-N 3.41Å
354	L	96.4	Very high	95.7	Very high	93 Å²	93	58.3 Å²	58.3	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-47.4	175.8	176.4	63	0	0	0	111.5	W350 I351 M356 I357 V358	W350-L354 WeakPolarHBondContact O-CB 3.26Å; W350-L354 PolarHBondContact O-N 2.98Å; I351-L354 PolarHBondContact O-N 3.43Å; L354-M356 VanDerWaalsContact C-N 3.35Å; L354-M356 PolarHBondContact O-N 3.22Å; L354-I357 PolarHBondContact O-N 3.36Å; L354-V358 HydrophobicContact CD1-CG2 4.35Å; L354-V358 WeakPolarHBondContact O-CG2 3.42Å; L354-V358 PolarHBondContact O-N 2.85Å
355	S	96.9	Very high	95.6	Very high	2 Å²	2	59 Å²	59	1%	0.014	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-42.5	176.4	170.4	0	0	0	0	112.2	D289 Q293 H332 I351 T352 G359	D289-S355 VanDerWaalsContact CG-OG 3.32Å; D289-S355 WeakPolarHBondContact OD1-CB 3.17Å; D289-S355 PolarHBondContact OD1-OG 3.1Å; D289-S355 WeakPolarHBondContact OD2-CB 3.44Å; D289-S355 PolarHBondContact OD2-OG 2.97Å; Q293-S355 PolarHBondContact NE2-OG 3.48Å; Q293-S355 VanDerWaalsContact NE2-OG 3.13Å; H332-S355 VanDerWaalsContact CB-OG 3.23Å; H332-S355 WeakPolarHBondContact CB-OG 3.47Å; H332-S355 WeakPolarHBondContact ND1-CB 3.49Å; H332-S355 PolarHBondContact ND1-OG 3.01Å; I351-S355 WeakPolarHBondContact O-CB 3.26Å; I351-S355 PolarHBondContact O-N 3.45Å; T352-S355 PolarHBondContact O-N 2.92Å; S355-G359 WeakPolarHBondContact O-CA 3.21Å; S355-G359 PolarHBondContact O-N 3.28Å
356	M	97.1	Very high	95.7	Very high	74 Å²	74	61.3 Å²	61.3	37%	0.365	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-40.1	174.4	-70.8	165.8	72	0	0	112.8	H332 Y338 T352 M353 L354 G359 A360	H332-M356 HydrophobicContact CB-CG 4.19Å; Y338-M356 HydrophobicContact CE1-CE 4.25Å; Y338-M356 HydrophobicContact CE1-SD 3.71Å; T352-M356 HydrophobicContact CG2-SD 4Å; T352-M356 WeakPolarHBondContact O-CG 3.47Å; T352-M356 PolarHBondContact O-N 2.78Å; M353-M356 PolarHBondContact O-N 2.79Å; L354-M356 VanDerWaalsContact C-N 3.35Å; L354-M356 PolarHBondContact O-N 3.22Å; M356-G359 PolarHBondContact O-N 2.68Å; M356-A360 WeakPolarHBondContact O-CB 3.42Å; M356-A360 PolarHBondContact O-N 3.02Å
357	I	97.4	Very high	95.6	Very high	111 Å²	111	58.5 Å²	58.5	57%	0.569	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-49.5	177.9	-68.5	163.5	0	0	0	110.5	M353 L354 G359 T361	M353-I357 WeakPolarHBondContact O-CG1 3.42Å; M353-I357 PolarHBondContact O-N 3.41Å; L354-I357 PolarHBondContact O-N 3.36Å; I357-G359 VanDerWaalsContact C-N 3.31Å; I357-G359 PolarHBondContact O-N 2.86Å; I357-T361 WeakPolarHBondContact O-CB 3.49Å; I357-T361 PolarHBondContact O-N 3.3Å; I357-T361 VanDerWaalsContact O-N 3.12Å; I357-T361 PolarHBondContact O-OG1 3.36Å
358	V	96.3	Very high	95.5	Very high	54 Å²	54	59.4 Å²	59.4	33%	0.327	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-44.2	175.5	174.6	0	0	0	0	110.6	L354 T361 C362	L354-V358 HydrophobicContact CD1-CG2 4.35Å; L354-V358 WeakPolarHBondContact O-CG2 3.42Å; L354-V358 PolarHBondContact O-N 2.85Å; V358-T361 PolarHBondContact O-N 3.02Å; V358-C362 PolarHBondContact O-N 3.03Å; V358-C362 PolarHBondContact O-SG 3.14Å
359	G	96	Very high	95.2	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-58.1	-179.8	0	0	0	0	0	113.6	S355 M356 I357 T361 C362 Y363	S355-G359 WeakPolarHBondContact O-CA 3.21Å; S355-G359 PolarHBondContact O-N 3.28Å; M356-G359 PolarHBondContact O-N 2.68Å; I357-G359 VanDerWaalsContact C-N 3.31Å; I357-G359 PolarHBondContact O-N 2.86Å; G359-T361 PolarHBondContact O-N 3.14Å; G359-C362 PolarHBondContact O-N 2.97Å; G359-C362 VanDerWaalsContact O-N 3.14Å; G359-Y363 WeakPolarHBondContact O-CB 3.32Å; G359-Y363 PolarHBondContact O-N 3.15Å
360	A	96.4	Very high	94.9	Very high	47 Å²	47	59.9 Å²	59.9	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-36.9	178	0	0	0	0	0	112.4	M356 A364	M356-A360 WeakPolarHBondContact O-CB 3.42Å; M356-A360 PolarHBondContact O-N 3.02Å; A360-A364 VanDerWaalsContact O-CB 3.31Å; A360-A364 WeakPolarHBondContact O-CB 3.45Å; A360-A364 PolarHBondContact O-N 3.44Å
361	T	96.1	Very high	94.5	Very high	83 Å²	83	54.7 Å²	54.7	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-47.3	175.5	-52.9	0	0	0	0	111.7	I357 V358 G359 A364 M365	I357-T361 WeakPolarHBondContact O-CB 3.49Å; I357-T361 PolarHBondContact O-N 3.3Å; I357-T361 VanDerWaalsContact O-N 3.12Å; I357-T361 PolarHBondContact O-OG1 3.36Å; V358-T361 PolarHBondContact O-N 3.02Å; G359-T361 PolarHBondContact O-N 3.14Å; T361-A364 PolarHBondContact O-N 3.37Å; T361-M365 WeakPolarHBondContact O-CG 3.44Å; T361-M365 PolarHBondContact O-N 2.99Å; T361-M365 VanDerWaalsContact O-N 3.07Å
362	C	94	Very high	94	Very high	21 Å²	21	55.7 Å²	55.7	14%	0.142	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-40.9	178.3	-65.7	0	0	0	0	112	M282 M333 V358 G359 M365 F366	M282-C362 HydrophobicContact CG-CB 4.35Å; M333-C362 HydrophobicContact SD-CB 3.61Å; V358-C362 PolarHBondContact O-N 3.03Å; V358-C362 PolarHBondContact O-SG 3.14Å; G359-C362 PolarHBondContact O-N 2.97Å; G359-C362 VanDerWaalsContact O-N 3.14Å; C362-M365 PolarHBondContact O-N 2.99Å; C362-F366 WeakPolarHBondContact O-CB 3.22Å; C362-F366 PolarHBondContact O-N 2.7Å
363	Y	95.6	Very high	93.5	Very high	100 Å²	100	56.9 Å²	56.9	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-41.1	177.7	-173.8	-104.8	0	0	0	112.3	L334 G359 M365 F366 V367	L334-Y363 HydrophobicContact CD2-CD2 4.22Å; G359-Y363 WeakPolarHBondContact O-CB 3.32Å; G359-Y363 PolarHBondContact O-N 3.15Å; Y363-M365 PolarHBondContact O-N 2.63Å; Y363-F366 WeakPolarHBondContact O-CB 3.31Å; Y363-F366 PolarHBondContact O-N 3.38Å; Y363-V367 HydrophobicContact CD1-CG2 4.36Å; Y363-V367 HydrophobicContact CE1-CG2 3.96Å; Y363-V367 WeakPolarHBondContact O-CG2 3.38Å; Y363-V367 PolarHBondContact O-N 3.23Å
364	A	96	Very high	92.9	Very high	63 Å²	63	59 Å²	59	52%	0.521	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-43	174	0	0	0	0	0	112	A360 T361 V367 G368	A360-A364 VanDerWaalsContact O-CB 3.31Å; A360-A364 WeakPolarHBondContact O-CB 3.45Å; A360-A364 PolarHBondContact O-N 3.44Å; T361-A364 PolarHBondContact O-N 3.37Å; A364-V367 PolarHBondContact O-N 3.38Å; A364-G368 PolarHBondContact O-N 3.37Å
365	M	92.3	Very high	92.3	Very high	100 Å²	100	59.7 Å²	59.7	49%	0.493	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-44.4	173.4	-71.2	-63.4	-68.5	0	0	111.7	T361 C362 Y363 V367 G368 H369	T361-M365 WeakPolarHBondContact O-CG 3.44Å; T361-M365 PolarHBondContact O-N 2.99Å; T361-M365 VanDerWaalsContact O-N 3.07Å; C362-M365 PolarHBondContact O-N 2.99Å; Y363-M365 PolarHBondContact O-N 2.63Å; M365-V367 PolarHBondContact O-N 3.4Å; M365-G368 PolarHBondContact O-N 3.45Å; M365-H369 PolarHBondContact O-CD2 2.88Å; M365-H369 VanDerWaalsContact O-CD2 3.26Å; M365-H369 PolarHBondContact O-N 3.17Å
366	F	94.3	Very high	91.5	Very high	59 Å²	59	62.3 Å²	62.3	26%	0.259	36%	0.361	S	S	.	.	H	α-helix	trans	-57.4	-47.5	175.7	173.4	-98.8	0	0	0	112.4	I275 L278 I279 M282 C362 Y363 G368 H369 A370	I275-F366 HydrophobicContact CD1-CD2 3.91Å; I275-F366 HydrophobicContact CD1-CE2 3.85Å; I275-F366 HydrophobicContact CG1-CE2 4.49Å; L278-F366 HydrophobicContact CD2-CB 4.41Å; I279-F366 HydrophobicContact CD1-CE2 4.19Å; I279-F366 HydrophobicContact CG1-CD2 4.29Å; I279-F366 HydrophobicContact CG1-CE2 3.9Å; M282-F366 HydrophobicContact SD-CB 4.48Å; C362-F366 WeakPolarHBondContact O-CB 3.22Å; C362-F366 PolarHBondContact O-N 2.7Å; Y363-F366 WeakPolarHBondContact O-CB 3.31Å; Y363-F366 PolarHBondContact O-N 3.38Å; F366-G368 VanDerWaalsContact C-N 3.32Å; F366-G368 PolarHBondContact O-N 3.3Å; F366-H369 PolarHBondContact O-N 3.49Å; F366-A370 VanDerWaalsContact O-CB 3.26Å; F366-A370 WeakPolarHBondContact O-CB 3.45Å; F366-A370 PolarHBondContact O-N 3.15Å
367	V	94	Very high	90.8	Very high	63 Å²	63	64.4 Å²	64.4	38%	0.382	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-40.1	175.8	173	0	0	0	0	111.5	Y363 A364 M365 T371	Y363-V367 HydrophobicContact CD1-CG2 4.36Å; Y363-V367 HydrophobicContact CE1-CG2 3.96Å; Y363-V367 WeakPolarHBondContact O-CG2 3.38Å; Y363-V367 PolarHBondContact O-N 3.23Å; A364-V367 PolarHBondContact O-N 3.38Å; M365-V367 PolarHBondContact O-N 3.4Å; V367-T371 WeakPolarHBondContact O-CB 3.48Å; V367-T371 PolarHBondContact O-N 3.18Å; V367-T371 PolarHBondContact O-OG1 3.42Å
368	G	91.8	Very high	89.8	Confident	39 Å²	39	62.1 Å²	62.1	40%	0.402	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-51.7	176	0	0	0	0	0	112.9	A364 M365 F366 T371 A372	A364-G368 PolarHBondContact O-N 3.37Å; M365-G368 PolarHBondContact O-N 3.45Å; F366-G368 VanDerWaalsContact C-N 3.32Å; F366-G368 PolarHBondContact O-N 3.3Å; G368-T371 PolarHBondContact O-N 3.03Å; G368-A372 PolarHBondContact O-N 3.14Å
369	H	87.8	Confident	89.1	Confident	49 Å²	49	62.5 Å²	62.5	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-66.6	-37.6	178.9	-78.5	-84.4	0	0	0	112.9	I275 L278 M365 F366 A372 L373	I275-H369 HydrophobicContact CD1-CB 4.2Å; L278-H369 HydrophobicContact CD2-CB 3.63Å; L278-H369 VanDerWaalsContact CD2-CD2 3.46Å; L278-H369 WeakPolarHBondContact CD2-CD2 3.36Å; M365-H369 PolarHBondContact O-CD2 2.88Å; M365-H369 VanDerWaalsContact O-CD2 3.26Å; M365-H369 PolarHBondContact O-N 3.17Å; F366-H369 PolarHBondContact O-N 3.49Å; H369-A372 PolarHBondContact O-N 2.78Å; H369-L373 WeakPolarHBondContact O-CB 3.39Å; H369-L373 PolarHBondContact O-N 3.05Å
370	A	88.7	Confident	88.5	Confident	24 Å²	24	63.5 Å²	63.5	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-63.1	-42.1	173.1	0	0	0	0	0	111.7	F366 L373 I374	F366-A370 VanDerWaalsContact O-CB 3.26Å; F366-A370 WeakPolarHBondContact O-CB 3.45Å; F366-A370 PolarHBondContact O-N 3.15Å; A370-L373 PolarHBondContact O-N 3.29Å; A370-I374 WeakPolarHBondContact O-CD1 3.47Å; A370-I374 VanDerWaalsContact O-CG1 3.29Å; A370-I374 WeakPolarHBondContact O-CG1 3.24Å; A370-I374 PolarHBondContact O-N 3.48Å
371	T	89.4	Confident	88.1	Confident	64 Å²	64	67 Å²	67	39%	0.393	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-44	175.6	-59.4	0	0	0	0	111.5	V367 G368 I374 Q375	V367-T371 WeakPolarHBondContact O-CB 3.48Å; V367-T371 PolarHBondContact O-N 3.18Å; V367-T371 PolarHBondContact O-OG1 3.42Å; G368-T371 PolarHBondContact O-N 3.03Å; T371-I374 PolarHBondContact O-N 2.94Å; T371-Q375 WeakPolarHBondContact O-CG 3.39Å; T371-Q375 PolarHBondContact O-N 3.32Å
372	A	85.1	Confident	87.7	Confident	41 Å²	41	68 Å²	68	34%	0.339	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.1	0	0	0	0	0	112.5	G368 H369 Q375 S376	G368-A372 PolarHBondContact O-N 3.14Å; H369-A372 PolarHBondContact O-N 2.78Å; A372-Q375 PolarHBondContact O-N 2.77Å; A372-S376 PolarHBondContact O-N 3.19Å; A372-S376 VanDerWaalsContact O-N 3.12Å
373	L	84.6	Confident	87.5	Confident	26 Å²	26	72 Å²	72	14%	0.136	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-49.9	174.6	175.3	60.8	0	0	0	111.3	A271 V272 I275 H369 A370 Q375 S376 L377	A271-L373 HydrophobicContact CB-CD1 3.73Å; V272-L373 HydrophobicContact CG2-CD1 4.34Å; I275-L373 HydrophobicContact CB-CD2 4.27Å; I275-L373 HydrophobicContact CG2-CD2 3.74Å; H369-L373 WeakPolarHBondContact O-CB 3.39Å; H369-L373 PolarHBondContact O-N 3.05Å; A370-L373 PolarHBondContact O-N 3.29Å; L373-Q375 VanDerWaalsContact C-N 3.27Å; L373-Q375 PolarHBondContact O-N 3.04Å; L373-S376 PolarHBondContact O-N 3.36Å; L373-S376 PolarHBondContact O-OG 3.37Å; L373-L377 HydrophobicContact CD1-CD1 4.06Å; L373-L377 HydrophobicContact CD1-CD2 4.26Å; L373-L377 HydrophobicContact CD1-CG 3.96Å; L373-L377 HydrophobicContact CG-CD1 3.98Å; L373-L377 HydrophobicContact CG-CG 4.35Å; L373-L377 WeakPolarHBondContact O-CG 3.33Å; L373-L377 PolarHBondContact O-N 3.38Å; L373-L377 VanDerWaalsContact O-N 3.11Å
374	I	85.3	Confident	87.4	Confident	125 Å²	125	68.4 Å²	68.4	64%	0.641	38%	0.375	S	S	*	.	H	α-helix	trans	-57.1	-39.9	178.3	-69.6	163.6	0	0	0	111.4	A370 T371 S376	A370-I374 WeakPolarHBondContact O-CD1 3.47Å; A370-I374 VanDerWaalsContact O-CG1 3.29Å; A370-I374 WeakPolarHBondContact O-CG1 3.24Å; A370-I374 PolarHBondContact O-N 3.48Å; T371-I374 PolarHBondContact O-N 2.94Å; I374-S376 VanDerWaalsContact C-N 3.33Å; I374-S376 PolarHBondContact O-N 3.43Å
375	Q	83.7	Confident	87.2	Confident	108 Å²	108	69.6 Å²	69.6	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-69.4	-27.6	176.6	-70.5	-172.4	38.1	0	0	113.8	T371 A372 L373	T371-Q375 WeakPolarHBondContact O-CG 3.39Å; T371-Q375 PolarHBondContact O-N 3.32Å; A372-Q375 PolarHBondContact O-N 2.77Å; L373-Q375 VanDerWaalsContact C-N 3.27Å; L373-Q375 PolarHBondContact O-N 3.04Å
376	S	80.3	Confident	87.3	Confident	56 Å²	56	68.7 Å²	68.7	39%	0.392	36%	0.364	S	S	.	.	H	α-helix	trans	-81	-33.1	-179.7	70.8	0	0	0	0	113.8	A372 L373 I374 D378	A372-S376 PolarHBondContact O-N 3.19Å; A372-S376 VanDerWaalsContact O-N 3.12Å; L373-S376 PolarHBondContact O-N 3.36Å; L373-S376 PolarHBondContact O-OG 3.37Å; I374-S376 VanDerWaalsContact C-N 3.33Å; I374-S376 PolarHBondContact O-N 3.43Å; S376-D378 VanDerWaalsContact C-N 3.35Å; S376-D378 PolarHBondContact O-N 3.01Å
377	L	80.7	Confident	87.2	Confident	118 Å²	118	70.3 Å²	70.3	62%	0.618	37%	0.371	S	S	*	.	H	α-helix	trans	-66.5	-23.4	-170	-77.4	170.4	0	0	0	115.9	L373	L373-L377 HydrophobicContact CD1-CD1 4.06Å; L373-L377 HydrophobicContact CD1-CD2 4.26Å; L373-L377 HydrophobicContact CD1-CG 3.96Å; L373-L377 HydrophobicContact CG-CD1 3.98Å; L373-L377 HydrophobicContact CG-CG 4.35Å; L373-L377 WeakPolarHBondContact O-CG 3.33Å; L373-L377 PolarHBondContact O-N 3.38Å; L373-L377 VanDerWaalsContact O-N 3.11Å
378	D	76.8	Confident	87.3	Confident	63 Å²	63	68.6 Å²	68.6	34%	0.337	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	40	-179.7	-154.6	3.9	0	0	0	112.2	S376 S380 R381 R382	S376-D378 VanDerWaalsContact C-N 3.35Å; S376-D378 PolarHBondContact O-N 3.01Å; D378-S380 PolarHBondContact O-N 2.98Å; D378-R381 PolarHBondContact O-N 2.86Å; D378-R381 WeakPolarHBondContact OD1-CB 3.37Å; D378-R381 WeakPolarHBondContact OD2-CD 3.44Å; D378-R381 IonicContact OD2-CZ 3.26Å; D378-R381 IonicContact OD2-NE 2.93Å; D378-R381 IonicContact OD2-NH1 3.56Å; D378-R381 PolarHBondContact OD2-NH1 2.83Å; D378-R382 WeakPolarHBondContact O-CB 3.23Å; D378-R382 PolarHBondContact O-N 3.48Å
379	S	82.4	Confident	87.6	Confident	63 Å²	63	71.9 Å²	71.9	44%	0.441	36%	0.361	S	S	.	.	H	α-helix	trans	-53	-51.6	-176	59.1	0	0	0	0	113.8	R381 R382 Q383	S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 2.88Å; S379-R382 WeakPolarHBondContact O-CB 3.4Å; S379-R382 PolarHBondContact O-N 3.49Å; S379-Q383 WeakPolarHBondContact O-CB 3.35Å; S379-Q383 WeakPolarHBondContact O-CG 3.29Å; S379-Q383 PolarHBondContact O-N 3.33Å
380	S	83.9	Confident	88	Confident	22 Å²	22	74.5 Å²	74.5	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-34	-177.7	62.2	0	0	0	0	114.1	D378 Y384	D378-S380 PolarHBondContact O-N 2.98Å; S380-Y384 PolarHBondContact O-N 2.83Å; S380-Y384 VanDerWaalsContact O-N 3.07Å
381	R	87.4	Confident	88.4	Confident	121 Å²	121	74.2 Å²	74.2	46%	0.457	37%	0.369	S	S	.	.	H	α-helix	trans	-81	-34.6	176.2	-166.1	-163.1	-172.1	-177.4	1.4	111.5	D378 S379 Y384 Q385 G418	D378-R381 PolarHBondContact O-N 2.86Å; D378-R381 WeakPolarHBondContact OD1-CB 3.37Å; D378-R381 WeakPolarHBondContact OD2-CD 3.44Å; D378-R381 IonicContact OD2-CZ 3.26Å; D378-R381 IonicContact OD2-NE 2.93Å; D378-R381 IonicContact OD2-NH1 3.56Å; D378-R381 PolarHBondContact OD2-NH1 2.83Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 2.88Å; R381-Y384 WeakPolarHBondContact O-CB 3.37Å; R381-Y384 PolarHBondContact O-N 3.42Å; R381-Q385 WeakPolarHBondContact O-CG 3.43Å; R381-Q385 PolarHBondContact O-N 3.45Å; R381-G418 WeakPolarHBondContact CG-O 3.31Å
382	R	87.5	Confident	88.8	Confident	104 Å²	104	75.4 Å²	75.4	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-48.7	170	177.2	-180	169.7	178.6	-3.2	110.4	D378 S379 Y384 Q385 E386	D378-R382 WeakPolarHBondContact O-CB 3.23Å; D378-R382 PolarHBondContact O-N 3.48Å; S379-R382 WeakPolarHBondContact O-CB 3.4Å; S379-R382 PolarHBondContact O-N 3.49Å; R382-Y384 VanDerWaalsContact C-N 3.32Å; R382-Y384 PolarHBondContact O-N 3.19Å; R382-Q385 PolarHBondContact O-N 2.91Å; R382-E386 HydrophobicContact CG-CG 4.43Å; R382-E386 IonicContact CZ-OE1 4Å; R382-E386 IonicContact NE-OE1 2.9Å; R382-E386 PolarHBondContact NE-OE1 2.93Å; R382-E386 IonicContact NH2-OE1 2.65Å; R382-E386 PolarHBondContact NH2-OE1 2.92Å; R382-E386 WeakPolarHBondContact O-CB 3.42Å; R382-E386 WeakPolarHBondContact O-CG 3.49Å; R382-E386 PolarHBondContact O-N 3.33Å
383	Q	89.2	Confident	89.4	Confident	103 Å²	103	79.9 Å²	79.9	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-41.7	174	-73.3	171.1	-19.7	0	0	111.8	S379 E386 K387 I420	S379-Q383 WeakPolarHBondContact O-CB 3.35Å; S379-Q383 WeakPolarHBondContact O-CG 3.29Å; S379-Q383 PolarHBondContact O-N 3.33Å; Q383-E386 PolarHBondContact O-N 3.41Å; Q383-K387 VanDerWaalsContact O-CB 3.29Å; Q383-K387 WeakPolarHBondContact O-CB 3.38Å; Q383-K387 PolarHBondContact O-N 3.43Å; Q383-I420 HydrophobicContact CB-CG2 3.67Å
384	Y	93.4	Very high	90	Very high	26 Å²	26	85.3 Å²	85.3	10%	0.102	40%	0.404	C	S	.	.	H	α-helix	trans	-60.5	-46.4	173.7	172.4	-97.3	0	0	0	112	S380 R381 R382 K387 Y388 Y416	S380-Y384 PolarHBondContact O-N 2.83Å; S380-Y384 VanDerWaalsContact O-N 3.07Å; R381-Y384 WeakPolarHBondContact O-CB 3.37Å; R381-Y384 PolarHBondContact O-N 3.42Å; R382-Y384 VanDerWaalsContact C-N 3.32Å; R382-Y384 PolarHBondContact O-N 3.19Å; Y384-K387 PolarHBondContact O-N 2.91Å; Y384-Y388 VanDerWaalsContact O-CB 3.25Å; Y384-Y388 WeakPolarHBondContact O-CB 3.45Å; Y384-Y388 PolarHBondContact O-N 3.38Å; Y384-Y416 HydrophobicContact CE2-CG 4.37Å
385	Q	92.5	Very high	90.6	Very high	87 Å²	87	79.6 Å²	79.6	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-42.1	177.5	-71.3	177.4	28.4	0	0	112.6	R381 R382 Y388 K389	R381-Q385 WeakPolarHBondContact O-CG 3.43Å; R381-Q385 PolarHBondContact O-N 3.45Å; R382-Q385 PolarHBondContact O-N 2.91Å; Q385-Y388 PolarHBondContact O-N 3.34Å; Q385-K389 WeakPolarHBondContact O-CB 3.39Å; Q385-K389 VanDerWaalsContact O-CG 3.24Å; Q385-K389 WeakPolarHBondContact O-CG 3.25Å; Q385-K389 PolarHBondContact O-N 2.91Å
386	E	93.4	Very high	91.3	Very high	81 Å²	81	77.6 Å²	77.6	38%	0.379	37%	0.372	S	S	.	.	H	α-helix	trans	-64.6	-41.5	176.6	-73.5	174.5	176.3	0	0	110.9	R382 Q383 Q390	R382-E386 HydrophobicContact CG-CG 4.43Å; R382-E386 IonicContact CZ-OE1 4Å; R382-E386 IonicContact NE-OE1 2.9Å; R382-E386 PolarHBondContact NE-OE1 2.93Å; R382-E386 IonicContact NH2-OE1 2.65Å; R382-E386 PolarHBondContact NH2-OE1 2.92Å; R382-E386 WeakPolarHBondContact O-CB 3.42Å; R382-E386 WeakPolarHBondContact O-CG 3.49Å; R382-E386 PolarHBondContact O-N 3.33Å; Q383-E386 PolarHBondContact O-N 3.41Å; E386-Q390 WeakPolarHBondContact O-CG 3.49Å; E386-Q390 PolarHBondContact O-N 3.29Å
387	K	94.3	Very high	92.1	Very high	93 Å²	93	82.8 Å²	82.8	40%	0.404	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-44.4	174.3	-170.4	62.9	172.8	-179.4	0	112.2	Q383 Y384 K389 Q390 V391 I420	Q383-K387 VanDerWaalsContact O-CB 3.29Å; Q383-K387 WeakPolarHBondContact O-CB 3.38Å; Q383-K387 PolarHBondContact O-N 3.43Å; Y384-K387 PolarHBondContact O-N 2.91Å; K387-K389 PolarHBondContact O-N 3.49Å; K387-Q390 WeakPolarHBondContact O-CB 3.24Å; K387-Q390 PolarHBondContact O-N 2.97Å; K387-Q390 VanDerWaalsContact O-N 3.16Å; K387-V391 PolarHBondContact O-N 2.78Å; K387-I420 HydrophobicContact CB-CD1 4.08Å; K387-I420 HydrophobicContact CG-CD1 3.74Å
388	Y	95.8	Very high	93	Very high	27 Å²	27	81.7 Å²	81.7	11%	0.106	38%	0.38	C	S	.	.	H	α-helix	trans	-66.4	-36.5	179.7	-179	-101.9	0	0	0	111.8	Y384 Q385 Q390 V391 E392 H409 Y412	Y384-Y388 VanDerWaalsContact O-CB 3.25Å; Y384-Y388 WeakPolarHBondContact O-CB 3.45Å; Y384-Y388 PolarHBondContact O-N 3.38Å; Q385-Y388 PolarHBondContact O-N 3.34Å; Y388-Q390 VanDerWaalsContact C-N 3.3Å; Y388-Q390 PolarHBondContact O-N 3.42Å; Y388-V391 CarbonylContact O-C 3.56Å; Y388-V391 WeakPolarHBondContact O-CA 3.5Å; Y388-V391 VanDerWaalsContact O-CB 3.31Å; Y388-V391 WeakPolarHBondContact O-CB 3.42Å; Y388-V391 PolarHBondContact O-N 3.13Å; Y388-E392 HydrophobicContact CD1-CG 4.12Å; Y388-E392 HydrophobicContact CE1-CG 3.53Å; Y388-E392 WeakPolarHBondContact CE1-OE1 3.38Å; Y388-E392 HydrophobicContact CE2-CG 4.47Å; Y388-E392 PolarHBondContact O-N 2.81Å; Y388-E392 PolarHBondContact OH-OE1 2.93Å; Y388-H409 AromaticContact CE1-ND1 3.95Å; Y388-H409 AromaticContact CE2-ND1 3.95Å; Y388-H409 AromaticContact CZ-ND1 3.35Å; Y388-H409 PolarHBondContact OH-ND1 3.33Å; Y388-Y412 HydrophobicContact CD2-CD1 4.35Å; Y388-Y412 HydrophobicContact CD2-CG 4.15Å
389	K	96.6	Very high	94	Very high	109 Å²	109	86.9 Å²	86.9	47%	0.474	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-36.6	170.4	-77	167.6	-178.2	173	0	113	Q385 K387 V391 E392 Q393	Q385-K389 WeakPolarHBondContact O-CB 3.39Å; Q385-K389 VanDerWaalsContact O-CG 3.24Å; Q385-K389 WeakPolarHBondContact O-CG 3.25Å; Q385-K389 PolarHBondContact O-N 2.91Å; K387-K389 PolarHBondContact O-N 3.49Å; K389-V391 VanDerWaalsContact C-N 3.31Å; K389-V391 PolarHBondContact O-N 2.53Å; K389-E392 PolarHBondContact O-N 2.91Å; K389-Q393 WeakPolarHBondContact O-CB 3.35Å; K389-Q393 VanDerWaalsContact O-CG 3.28Å; K389-Q393 WeakPolarHBondContact O-CG 3.43Å; K389-Q393 PolarHBondContact O-N 3.05Å
390	Q	97.6	Very high	94.7	Very high	103 Å²	103	85.7 Å²	85.7	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-37.2	172.5	-63.4	168.5	8	0	0	111.5	E386 K387 Y388 Q393 Y394	E386-Q390 WeakPolarHBondContact O-CG 3.49Å; E386-Q390 PolarHBondContact O-N 3.29Å; K387-Q390 WeakPolarHBondContact O-CB 3.24Å; K387-Q390 PolarHBondContact O-N 2.97Å; K387-Q390 VanDerWaalsContact O-N 3.16Å; Y388-Q390 VanDerWaalsContact C-N 3.3Å; Y388-Q390 PolarHBondContact O-N 3.42Å; Q390-Q393 PolarHBondContact O-N 3.05Å; Q390-Y394 WeakPolarHBondContact O-CB 3.11Å; Q390-Y394 PolarHBondContact O-N 3.39Å
391	V	97.4	Very high	95.4	Very high	19 Å²	19	88.2 Å²	88.2	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-44.9	174.8	-176.7	0	0	0	0	110.4	K387 Y388 K389 Q393 Y394 M395 I408 Y412	K387-V391 PolarHBondContact O-N 2.78Å; Y388-V391 CarbonylContact O-C 3.56Å; Y388-V391 WeakPolarHBondContact O-CA 3.5Å; Y388-V391 VanDerWaalsContact O-CB 3.31Å; Y388-V391 WeakPolarHBondContact O-CB 3.42Å; Y388-V391 PolarHBondContact O-N 3.13Å; K389-V391 VanDerWaalsContact C-N 3.31Å; K389-V391 PolarHBondContact O-N 2.53Å; V391-Q393 PolarHBondContact O-N 3.31Å; V391-Y394 WeakPolarHBondContact O-CB 3.45Å; V391-Y394 PolarHBondContact O-N 3.4Å; V391-M395 HydrophobicContact CG1-CE 4.26Å; V391-M395 HydrophobicContact CG1-CG 4.33Å; V391-M395 HydrophobicContact CG1-SD 4.45Å; V391-M395 VanDerWaalsContact O-CG 3.27Å; V391-M395 WeakPolarHBondContact O-CG 3.36Å; V391-M395 PolarHBondContact O-N 3.28Å; V391-I408 HydrophobicContact CG1-CG2 3.78Å; V391-Y412 HydrophobicContact CG1-CE2 4.06Å; V391-Y412 HydrophobicContact CG2-CE1 4.07Å; V391-Y412 HydrophobicContact CG2-CE2 4.07Å
392	E	96.7	Very high	95.8	Very high	88 Å²	88	85.9 Å²	85.9	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-60.8	-41.9	175.4	-66.6	-172.4	131.5	0	0	112.7	Y388 K389 M395 S396	Y388-E392 HydrophobicContact CD1-CG 4.12Å; Y388-E392 HydrophobicContact CE1-CG 3.53Å; Y388-E392 WeakPolarHBondContact CE1-OE1 3.38Å; Y388-E392 HydrophobicContact CE2-CG 4.47Å; Y388-E392 PolarHBondContact O-N 2.81Å; Y388-E392 PolarHBondContact OH-OE1 2.93Å; K389-E392 PolarHBondContact O-N 2.91Å; E392-M395 HydrophobicContact CB-CE 4.47Å; E392-M395 HydrophobicContact CG-CE 4.02Å; E392-M395 PolarHBondContact O-N 3.43Å; E392-S396 VanDerWaalsContact O-CB 3.26Å; E392-S396 WeakPolarHBondContact O-CB 3.35Å; E392-S396 PolarHBondContact O-N 2.65Å
393	Q	97.7	Very high	96.2	Very high	136 Å²	136	87.4 Å²	87.4	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-60.4	-44.7	173.4	-74.1	171.8	-9	0	0	111.6	K389 Q390 V391 S396 F397	K389-Q393 WeakPolarHBondContact O-CB 3.35Å; K389-Q393 VanDerWaalsContact O-CG 3.28Å; K389-Q393 WeakPolarHBondContact O-CG 3.43Å; K389-Q393 PolarHBondContact O-N 3.05Å; Q390-Q393 PolarHBondContact O-N 3.05Å; V391-Q393 PolarHBondContact O-N 3.31Å; Q393-S396 PolarHBondContact O-N 3.13Å; Q393-F397 VanDerWaalsContact O-CB 3.31Å; Q393-F397 WeakPolarHBondContact O-CB 3.39Å; Q393-F397 PolarHBondContact O-N 2.98Å
394	Y	98.1	Very high	96.6	Very high	140 Å²	140	87.1 Å²	87.1	55%	0.549	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-47.8	174.4	175.6	-91.5	0	0	0	112.3	Q390 V391 S396 F397 H398	Q390-Y394 WeakPolarHBondContact O-CB 3.11Å; Q390-Y394 PolarHBondContact O-N 3.39Å; V391-Y394 WeakPolarHBondContact O-CB 3.45Å; V391-Y394 PolarHBondContact O-N 3.4Å; Y394-S396 VanDerWaalsContact C-N 3.28Å; Y394-S396 PolarHBondContact O-N 3.01Å; Y394-F397 PolarHBondContact O-N 3.43Å; Y394-H398 AromaticContact CD2-CD2 3.56Å; Y394-H398 AromaticContact CD2-NE2 3.79Å; Y394-H398 AromaticContact CE1-CD2 3.98Å; Y394-H398 AromaticContact CE2-CD2 3.3Å; Y394-H398 WeakPolarHBondContact CE2-CD2 3.43Å; Y394-H398 AromaticContact CE2-NE2 3.28Å; Y394-H398 VanDerWaalsContact CE2-NE2 3.28Å; Y394-H398 WeakPolarHBondContact CE2-NE2 3.36Å; Y394-H398 AromaticContact CZ-CD2 3.53Å; Y394-H398 AromaticContact CZ-NE2 3.79Å; Y394-H398 PolarHBondContact O-CD2 3.48Å; Y394-H398 PolarHBondContact O-N 3.05Å
395	M	98.1	Very high	96.8	Very high	4 Å²	4	90 Å²	90	2%	0.02	44%	0.437	C	S	.	.	H	α-helix	trans	-61.7	-35.4	177	-67.2	-166.6	-69.4	0	0	112.5	V391 E392 K399 L400 R405 I408	V391-M395 HydrophobicContact CG1-CE 4.26Å; V391-M395 HydrophobicContact CG1-CG 4.33Å; V391-M395 HydrophobicContact CG1-SD 4.45Å; V391-M395 VanDerWaalsContact O-CG 3.27Å; V391-M395 WeakPolarHBondContact O-CG 3.36Å; V391-M395 PolarHBondContact O-N 3.28Å; E392-M395 HydrophobicContact CB-CE 4.47Å; E392-M395 HydrophobicContact CG-CE 4.02Å; E392-M395 PolarHBondContact O-N 3.43Å; M395-K399 PolarHBondContact O-N 3.4Å; M395-K399 VanDerWaalsContact O-N 3.17Å; M395-L400 HydrophobicContact CB-CD1 4.14Å; M395-L400 HydrophobicContact CB-CG 4.48Å; M395-L400 HydrophobicContact CG-CD1 3.89Å; M395-L400 PolarHBondContact O-N 2.96Å; M395-R405 HydrophobicContact CB-CG 4.21Å; M395-R405 HydrophobicContact CE-CB 4.3Å; M395-R405 HydrophobicContact CE-CG 4.47Å; M395-R405 HydrophobicContact SD-CB 3.92Å; M395-R405 HydrophobicContact SD-CG 3.86Å; M395-I408 HydrophobicContact CE-CG2 4.3Å; M395-I408 HydrophobicContact CG-CD1 4.14Å; M395-I408 HydrophobicContact SD-CB 3.74Å; M395-I408 HydrophobicContact SD-CD1 3.62Å; M395-I408 HydrophobicContact SD-CG1 4.28Å; M395-I408 HydrophobicContact SD-CG2 3.65Å
396	S	97.4	Very high	97	Very high	66 Å²	66	90.8 Å²	90.8	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-72.7	-46.3	177.2	-164.7	0	0	0	0	111.9	E392 Q393 Y394 H398 K399	E392-S396 VanDerWaalsContact O-CB 3.26Å; E392-S396 WeakPolarHBondContact O-CB 3.35Å; E392-S396 PolarHBondContact O-N 2.65Å; Q393-S396 PolarHBondContact O-N 3.13Å; Y394-S396 VanDerWaalsContact C-N 3.28Å; Y394-S396 PolarHBondContact O-N 3.01Å; S396-H398 PolarHBondContact O-N 3.24Å; S396-K399 WeakPolarHBondContact O-CA 3.32Å; S396-K399 WeakPolarHBondContact O-CG 3.49Å; S396-K399 PolarHBondContact O-N 2.82Å
397	F	98	Very high	97.1	Very high	165 Å²	165	90.8 Å²	90.8	72%	0.724	44%	0.439	S	S	*	.	H	α-helix	trans	-59.4	-46.6	176.9	176.6	-101.8	0	0	0	112.1	Q393 Y394 K399	Q393-F397 VanDerWaalsContact O-CB 3.31Å; Q393-F397 WeakPolarHBondContact O-CB 3.39Å; Q393-F397 PolarHBondContact O-N 2.98Å; Y394-F397 PolarHBondContact O-N 3.43Å; F397-K399 PolarHBondContact O-N 3.35Å
398	H	98.3	Very high	97.2	Very high	96 Å²	96	88.4 Å²	88.4	44%	0.444	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.6	174.2	-72.3	-72.8	0	0	0	114.2	Y394 S396 L400	Y394-H398 AromaticContact CD2-CD2 3.56Å; Y394-H398 AromaticContact CD2-NE2 3.79Å; Y394-H398 AromaticContact CE1-CD2 3.98Å; Y394-H398 AromaticContact CE2-CD2 3.3Å; Y394-H398 WeakPolarHBondContact CE2-CD2 3.43Å; Y394-H398 AromaticContact CE2-NE2 3.28Å; Y394-H398 VanDerWaalsContact CE2-NE2 3.28Å; Y394-H398 WeakPolarHBondContact CE2-NE2 3.36Å; Y394-H398 AromaticContact CZ-CD2 3.53Å; Y394-H398 AromaticContact CZ-NE2 3.79Å; Y394-H398 PolarHBondContact O-CD2 3.48Å; Y394-H398 PolarHBondContact O-N 3.05Å; S396-H398 PolarHBondContact O-N 3.24Å; H398-L400 VanDerWaalsContact C-N 3.28Å; H398-L400 HydrophobicContact CB-CD2 3.9Å; H398-L400 HydrophobicContact CB-CG 4.22Å; H398-L400 PolarHBondContact O-N 3.39Å
399	K	97.6	Very high	97.3	Very high	172 Å²	172	90.2 Å²	90.2	75%	0.748	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	41.6	177.1	-57.3	-175.6	-178.6	-175.7	0	113.6	M395 S396 F397	M395-K399 PolarHBondContact O-N 3.4Å; M395-K399 VanDerWaalsContact O-N 3.17Å; S396-K399 WeakPolarHBondContact O-CA 3.32Å; S396-K399 WeakPolarHBondContact O-CG 3.49Å; S396-K399 PolarHBondContact O-N 2.82Å; F397-K399 PolarHBondContact O-N 3.35Å
400	L	98	Very high	97.2	Very high	37 Å²	37	87 Å²	87	19%	0.194	43%	0.428	C	S	.	.			trans	-62.1	147.3	-177.1	-55.9	-173.7	0	0	0	111.5	M395 H398 M404 R405 I408	M395-L400 HydrophobicContact CB-CD1 4.14Å; M395-L400 HydrophobicContact CB-CG 4.48Å; M395-L400 HydrophobicContact CG-CD1 3.89Å; M395-L400 PolarHBondContact O-N 2.96Å; H398-L400 VanDerWaalsContact C-N 3.28Å; H398-L400 HydrophobicContact CB-CD2 3.9Å; H398-L400 HydrophobicContact CB-CG 4.22Å; H398-L400 PolarHBondContact O-N 3.39Å; L400-M404 HydrophobicContact CB-SD 4.16Å; L400-M404 HydrophobicContact CD1-CG 4.42Å; L400-M404 HydrophobicContact CD1-SD 3.94Å; L400-M404 HydrophobicContact CD2-SD 4.07Å; L400-M404 HydrophobicContact CG-SD 4.28Å; L400-R405 HydrophobicContact CB-CG 4.36Å; L400-R405 PolarHBondContact O-NE 2.82Å; L400-R405 PolarHBondContact O-NH2 3.09Å; L400-I408 HydrophobicContact CD1-CD1 4.01Å
401	P	98.1	Very high	97.2	Very high	76 Å²	76	85.7 Å²	85.7	49%	0.494	42%	0.419	S	S	.	.			trans	-59.9	153.5	176.3	-23.5	34.2	0	0	0	113.1	D403 M404 R405	P401-D403 PolarHBondContact O-N 2.68Å; P401-M404 WeakPolarHBondContact O-CB 3.26Å; P401-M404 PolarHBondContact O-N 3.21Å; P401-M404 VanDerWaalsContact O-N 3.11Å; P401-R405 WeakPolarHBondContact O-CG 3.22Å; P401-R405 PolarHBondContact O-N 2.85Å
402	A	96.4	Very high	97.1	Very high	72 Å²	72	87 Å²	87	60%	0.595	42%	0.422	S	S	*	.	H	α-helix	trans	-54.9	-48.5	-178.1	0	0	0	0	0	112.6	M404 R405 Q406	A402-M404 PolarHBondContact O-N 3.48Å; A402-R405 WeakPolarHBondContact O-CA 3.36Å; A402-R405 WeakPolarHBondContact O-CB 3.31Å; A402-R405 PolarHBondContact O-N 3.11Å; A402-Q406 PolarHBondContact O-N 3.44Å
403	D	96.4	Very high	96.9	Very high	136 Å²	136	87.7 Å²	87.7	73%	0.727	43%	0.425	S	S	*	.	H	α-helix	trans	-58.5	-36.1	179.7	-34.8	-31.9	0	0	0	112.1	P401 K407	P401-D403 PolarHBondContact O-N 2.68Å; D403-K407 WeakPolarHBondContact O-CB 3.23Å; D403-K407 PolarHBondContact O-N 2.97Å
404	M	96.7	Very high	96.8	Very high	96 Å²	96	84 Å²	84	47%	0.473	41%	0.408	S	S	.	.	H	α-helix	trans	-72	-35.5	176.1	-172.9	177.3	-70.6	0	0	111.6	L400 P401 A402 I408	L400-M404 HydrophobicContact CB-SD 4.16Å; L400-M404 HydrophobicContact CD1-CG 4.42Å; L400-M404 HydrophobicContact CD1-SD 3.94Å; L400-M404 HydrophobicContact CD2-SD 4.07Å; L400-M404 HydrophobicContact CG-SD 4.28Å; P401-M404 WeakPolarHBondContact O-CB 3.26Å; P401-M404 PolarHBondContact O-N 3.21Å; P401-M404 VanDerWaalsContact O-N 3.11Å; A402-M404 PolarHBondContact O-N 3.48Å; M404-I408 HydrophobicContact CG-CD1 4.11Å; M404-I408 WeakPolarHBondContact O-CD1 3.34Å; M404-I408 VanDerWaalsContact O-CG1 3.24Å; M404-I408 WeakPolarHBondContact O-CG1 3.17Å; M404-I408 PolarHBondContact O-N 3.44Å
405	R	97	Very high	96.6	Very high	88 Å²	88	79.7 Å²	79.7	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-67.4	-44.3	174	-60	-176.4	-161.8	-155.6	2	111.6	M395 L400 P401 A402 I408 H409	M395-R405 HydrophobicContact CB-CG 4.21Å; M395-R405 HydrophobicContact CE-CB 4.3Å; M395-R405 HydrophobicContact CE-CG 4.47Å; M395-R405 HydrophobicContact SD-CB 3.92Å; M395-R405 HydrophobicContact SD-CG 3.86Å; L400-R405 HydrophobicContact CB-CG 4.36Å; L400-R405 PolarHBondContact O-NE 2.82Å; L400-R405 PolarHBondContact O-NH2 3.09Å; P401-R405 WeakPolarHBondContact O-CG 3.22Å; P401-R405 PolarHBondContact O-N 2.85Å; A402-R405 WeakPolarHBondContact O-CA 3.36Å; A402-R405 WeakPolarHBondContact O-CB 3.31Å; A402-R405 PolarHBondContact O-N 3.11Å; R405-I408 PolarHBondContact O-N 3.37Å; R405-H409 WeakPolarHBondContact O-CB 3.49Å; R405-H409 PolarHBondContact O-N 3.18Å
406	Q	96.8	Very high	96.3	Very high	103 Å²	103	82.5 Å²	82.5	48%	0.481	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-47.2	175	-168.7	63.7	48.1	0	0	110.3	A402 I408 H409 D410	A402-Q406 PolarHBondContact O-N 3.44Å; Q406-I408 VanDerWaalsContact C-N 3.28Å; Q406-I408 PolarHBondContact O-N 3.02Å; Q406-H409 WeakPolarHBondContact O-CA 3.48Å; Q406-H409 WeakPolarHBondContact O-CB 3.33Å; Q406-H409 PolarHBondContact O-N 2.96Å; Q406-D410 PolarHBondContact NE2-OD1 3.15Å; Q406-D410 PolarHBondContact O-N 3.25Å
407	K	96.6	Very high	96	Very high	80 Å²	80	85.1 Å²	85.1	35%	0.348	41%	0.406	S	S	.	.	H	α-helix	trans	-56.9	-40.2	176.2	-175.8	165.4	-179	168.1	0	112.7	D403 Y411 Q474 D477	D403-K407 WeakPolarHBondContact O-CB 3.23Å; D403-K407 PolarHBondContact O-N 2.97Å; K407-Y411 WeakPolarHBondContact O-CB 3.47Å; K407-Y411 PolarHBondContact O-N 3.39Å; K407-Y411 VanDerWaalsContact O-N 3.09Å; K407-Q474 PolarHBondContact O-NE2 3.42Å; K407-Q474 PolarHBondContact O-OE1 3.16Å; K407-D477 VanDerWaalsContact NZ-CG 3.32Å; K407-D477 IonicContact NZ-OD1 3.52Å; K407-D477 PolarHBondContact NZ-OD1 2.89Å; K407-D477 IonicContact NZ-OD2 2.8Å; K407-D477 PolarHBondContact NZ-OD2 3.4Å
408	I	97.1	Very high	95.5	Very high	43 Å²	43	78.3 Å²	78.3	22%	0.221	38%	0.383	C	S	.	.	H	α-helix	trans	-68.9	-39.4	174.8	-69.6	163.8	0	0	0	111.7	V391 M395 L400 M404 R405 Q406 Y411 Y412	V391-I408 HydrophobicContact CG1-CG2 3.78Å; M395-I408 HydrophobicContact CE-CG2 4.3Å; M395-I408 HydrophobicContact CG-CD1 4.14Å; M395-I408 HydrophobicContact SD-CB 3.74Å; M395-I408 HydrophobicContact SD-CD1 3.62Å; M395-I408 HydrophobicContact SD-CG1 4.28Å; M395-I408 HydrophobicContact SD-CG2 3.65Å; L400-I408 HydrophobicContact CD1-CD1 4.01Å; M404-I408 HydrophobicContact CG-CD1 4.11Å; M404-I408 WeakPolarHBondContact O-CD1 3.34Å; M404-I408 VanDerWaalsContact O-CG1 3.24Å; M404-I408 WeakPolarHBondContact O-CG1 3.17Å; M404-I408 PolarHBondContact O-N 3.44Å; R405-I408 PolarHBondContact O-N 3.37Å; Q406-I408 VanDerWaalsContact C-N 3.28Å; Q406-I408 PolarHBondContact O-N 3.02Å; I408-Y411 WeakPolarHBondContact O-CB 3.46Å; I408-Y411 PolarHBondContact O-N 3.37Å; I408-Y412 HydrophobicContact CG2-CD2 3.97Å; I408-Y412 HydrophobicContact CG2-CE2 4.16Å; I408-Y412 WeakPolarHBondContact O-CD2 3.14Å; I408-Y412 PolarHBondContact O-N 3.15Å
409	H	96	Very high	95.1	Very high	65 Å²	65	79 Å²	79	30%	0.301	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-54.5	174.9	-178.1	80.6	0	0	0	111.3	Y388 R405 Q406 Y411 Y412 E413	Y388-H409 AromaticContact CE1-ND1 3.95Å; Y388-H409 AromaticContact CE2-ND1 3.95Å; Y388-H409 AromaticContact CZ-ND1 3.35Å; Y388-H409 PolarHBondContact OH-ND1 3.33Å; R405-H409 WeakPolarHBondContact O-CB 3.49Å; R405-H409 PolarHBondContact O-N 3.18Å; Q406-H409 WeakPolarHBondContact O-CA 3.48Å; Q406-H409 WeakPolarHBondContact O-CB 3.33Å; Q406-H409 PolarHBondContact O-N 2.96Å; H409-Y411 PolarHBondContact O-N 2.88Å; H409-Y412 PolarHBondContact O-N 2.76Å; H409-E413 PolarHBondContact O-N 2.83Å
410	D	96	Very high	94.7	Very high	42 Å²	42	72.4 Å²	72.4	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-58.4	-37.8	179.4	-53.5	-15.8	0	0	0	111.1	Q406 H414 Y535	Q406-D410 PolarHBondContact NE2-OD1 3.15Å; Q406-D410 PolarHBondContact O-N 3.25Å; D410-H414 WeakPolarHBondContact O-CB 3.22Å; D410-H414 PolarHBondContact O-N 3.25Å; D410-H414 PolarHBondContact O-ND1 3.37Å; D410-Y535 WeakPolarHBondContact CB-OH 3.25Å
411	Y	96.2	Very high	94.2	Very high	76 Å²	76	76.6 Å²	76.6	30%	0.298	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-49	174.5	176.3	-88.5	0	0	0	112	K407 I408 H409 H414 R415 V472 Q474	K407-Y411 WeakPolarHBondContact O-CB 3.47Å; K407-Y411 PolarHBondContact O-N 3.39Å; K407-Y411 VanDerWaalsContact O-N 3.09Å; I408-Y411 WeakPolarHBondContact O-CB 3.46Å; I408-Y411 PolarHBondContact O-N 3.37Å; H409-Y411 PolarHBondContact O-N 2.88Å; Y411-H414 PolarHBondContact O-N 2.99Å; Y411-R415 HydrophobicContact CE1-CB 4.18Å; Y411-R415 HydrophobicContact CE1-CG 4.38Å; Y411-R415 VanDerWaalsContact O-CB 3.27Å; Y411-R415 WeakPolarHBondContact O-CB 3.35Å; Y411-R415 PolarHBondContact O-N 3.5Å; Y411-V472 WeakPolarHBondContact CE2-O 3.49Å; Y411-Q474 HydrophobicContact CD2-CG 4.25Å
412	Y	95.5	Very high	93.8	Very high	46 Å²	46	77.8 Å²	77.8	18%	0.18	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-41.1	179.7	-95.2	-95.2	0	0	0	111.5	Y388 V391 I408 H409 R415 Y416	Y388-Y412 HydrophobicContact CD2-CD1 4.35Å; Y388-Y412 HydrophobicContact CD2-CG 4.15Å; V391-Y412 HydrophobicContact CG1-CE2 4.06Å; V391-Y412 HydrophobicContact CG2-CE1 4.07Å; V391-Y412 HydrophobicContact CG2-CE2 4.07Å; I408-Y412 HydrophobicContact CG2-CD2 3.97Å; I408-Y412 HydrophobicContact CG2-CE2 4.16Å; I408-Y412 WeakPolarHBondContact O-CD2 3.14Å; I408-Y412 PolarHBondContact O-N 3.15Å; H409-Y412 PolarHBondContact O-N 2.76Å; Y412-R415 PolarHBondContact O-N 3.08Å; Y412-Y416 AromaticContact CD1-CD2 3.61Å; Y412-Y416 HydrophobicContact CD1-CD2 3.61Å; Y412-Y416 AromaticContact CD1-CE2 3.68Å; Y412-Y416 HydrophobicContact CD1-CE2 3.68Å; Y412-Y416 HydrophobicContact CE1-CD2 4.07Å; Y412-Y416 AromaticContact CE1-CE2 3.65Å; Y412-Y416 HydrophobicContact CE1-CE2 3.65Å; Y412-Y416 HydrophobicContact CG-CD2 4.33Å; Y412-Y416 HydrophobicContact CG-CE2 4.49Å; Y412-Y416 WeakPolarHBondContact O-CB 3.25Å; Y412-Y416 PolarHBondContact O-N 2.9Å
413	E	93.8	Very high	93.4	Very high	102 Å²	102	78.5 Å²	78.5	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-47.1	174.3	-172.8	175.7	-142.3	0	0	111.6	H409 Q417	H409-E413 PolarHBondContact O-N 2.83Å; E413-Q417 WeakPolarHBondContact O-CA 3.48Å; E413-Q417 PolarHBondContact O-N 3.1Å
414	H	93.9	Very high	93	Very high	58 Å²	58	77 Å²	77	27%	0.269	36%	0.359	S	S	.	.	H	α-helix	trans	-71.7	-32.6	-179.2	-74.1	72.5	0	0	0	113.5	D410 Y411 Q417 V472 Y535	D410-H414 WeakPolarHBondContact O-CB 3.22Å; D410-H414 PolarHBondContact O-N 3.25Å; D410-H414 PolarHBondContact O-ND1 3.37Å; Y411-H414 PolarHBondContact O-N 2.99Å; H414-Q417 PolarHBondContact O-NE2 3.24Å; H414-V472 HydrophobicContact CB-CG1 4.42Å; H414-Y535 HydrophobicContact CB-CD1 4.06Å; H414-Y535 HydrophobicContact CB-CE1 4.09Å; H414-Y535 AromaticContact CD2-CD1 3.48Å; H414-Y535 VanDerWaalsContact CD2-CD1 3.48Å; H414-Y535 WeakPolarHBondContact CD2-CD1 3.44Å; H414-Y535 AromaticContact CD2-CD2 3.97Å; H414-Y535 AromaticContact CD2-CE1 3.67Å; H414-Y535 AromaticContact CD2-CG 3.64Å; H414-Y535 AromaticContact CE1-CE1 3.91Å; H414-Y535 AromaticContact CE1-CE2 3.95Å; H414-Y535 AromaticContact CE1-CZ 3.65Å; H414-Y535 AromaticContact CG-CD1 3.67Å; H414-Y535 AromaticContact CG-CE1 3.53Å; H414-Y535 AromaticContact ND1-CE1 3.68Å; H414-Y535 AromaticContact ND1-CZ 3.84Å; H414-Y535 AromaticContact NE2-CD2 3.77Å; H414-Y535 AromaticContact NE2-CE1 3.92Å; H414-Y535 AromaticContact NE2-CE2 3.68Å; H414-Y535 AromaticContact NE2-CG 3.95Å; H414-Y535 AromaticContact NE2-CZ 3.76Å
415	R	94	Very high	92.8	Very high	50 Å²	50	76 Å²	76	19%	0.189	36%	0.355	C	S	.	.	H	α-helix	trans	-78.9	-30.5	179.8	177.9	57.9	-172.9	88	-11.4	113.8	Y411 Y412 E423 V472	Y411-R415 HydrophobicContact CE1-CB 4.18Å; Y411-R415 HydrophobicContact CE1-CG 4.38Å; Y411-R415 VanDerWaalsContact O-CB 3.27Å; Y411-R415 WeakPolarHBondContact O-CB 3.35Å; Y411-R415 PolarHBondContact O-N 3.5Å; Y412-R415 PolarHBondContact O-N 3.08Å; R415-E423 IonicContact NH2-OE2 2.87Å; R415-V472 HydrophobicContact CB-CB 4.5Å; R415-V472 HydrophobicContact CB-CG2 4.45Å
416	Y	92.7	Very high	92.6	Very high	64 Å²	64	75.3 Å²	75.3	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-123.5	-17.4	-171.7	-65	-73.5	0	0	0	114.5	Y384 Y412 G418 K419 I420	Y384-Y416 HydrophobicContact CE2-CG 4.37Å; Y412-Y416 AromaticContact CD1-CD2 3.61Å; Y412-Y416 HydrophobicContact CD1-CD2 3.61Å; Y412-Y416 AromaticContact CD1-CE2 3.68Å; Y412-Y416 HydrophobicContact CD1-CE2 3.68Å; Y412-Y416 HydrophobicContact CE1-CD2 4.07Å; Y412-Y416 AromaticContact CE1-CE2 3.65Å; Y412-Y416 HydrophobicContact CE1-CE2 3.65Å; Y412-Y416 HydrophobicContact CG-CD2 4.33Å; Y412-Y416 HydrophobicContact CG-CE2 4.49Å; Y412-Y416 WeakPolarHBondContact O-CB 3.25Å; Y412-Y416 PolarHBondContact O-N 2.9Å; Y416-G418 PolarHBondContact O-N 2.86Å; Y416-G418 VanDerWaalsContact O-N 3.1Å; Y416-K419 WeakPolarHBondContact CB-O 3.41Å; Y416-K419 PolarHBondContact O-N 3Å; Y416-I420 HydrophobicContact CD1-CG1 4.19Å; Y416-I420 HydrophobicContact CE1-CD1 4.46Å; Y416-I420 HydrophobicContact CE1-CG1 4.11Å
417	Q	91.8	Very high	92.3	Very high	121 Å²	121	71.8 Å²	71.8	57%	0.565	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.8	174.7	-66.6	156	54.3	0	0	113.1	E413 H414 K419	E413-Q417 WeakPolarHBondContact O-CA 3.48Å; E413-Q417 PolarHBondContact O-N 3.1Å; H414-Q417 PolarHBondContact O-NE2 3.24Å; Q417-K419 PolarHBondContact O-N 3.22Å
418	G	87.5	Confident	92	Very high	22 Å²	22	71.8 Å²	71.8	23%	0.227	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	3.3	179.5	0	0	0	0	0	116.3	R381 Y416	R381-G418 WeakPolarHBondContact CG-O 3.31Å; Y416-G418 PolarHBondContact O-N 2.86Å; Y416-G418 VanDerWaalsContact O-N 3.1Å
419	K	89.6	Confident	91.8	Very high	110 Å²	110	76.6 Å²	76.6	48%	0.478	37%	0.374	S	S	.	.			trans	-131.7	137.5	177.8	-60.3	-172.5	-179.7	-174.4	0	110.9	Y416 Q417 F421	Y416-K419 WeakPolarHBondContact CB-O 3.41Å; Y416-K419 PolarHBondContact O-N 3Å; Q417-K419 PolarHBondContact O-N 3.22Å; K419-F421 HydrophobicContact CB-CE2 3.66Å; K419-F421 HydrophobicContact CB-CZ 3.88Å; K419-F421 HydrophobicContact CD-CE2 4.27Å; K419-F421 HydrophobicContact CD-CZ 3.96Å
420	I	88.1	Confident	91.7	Very high	34 Å²	34	76.3 Å²	76.3	17%	0.174	37%	0.374	C	S	.	.			trans	-111.8	139.6	174.5	-163.9	166.9	0	0	0	110.3	Q383 K387 Y416	Q383-I420 HydrophobicContact CB-CG2 3.67Å; K387-I420 HydrophobicContact CB-CD1 4.08Å; K387-I420 HydrophobicContact CG-CD1 3.74Å; Y416-I420 HydrophobicContact CD1-CG1 4.19Å; Y416-I420 HydrophobicContact CE1-CD1 4.46Å; Y416-I420 HydrophobicContact CE1-CG1 4.11Å
421	F	88.8	Confident	91.6	Very high	125 Å²	125	78.5 Å²	78.5	55%	0.548	39%	0.386	S	S	.	.			trans	-141.4	144.1	176	-54.6	-72	0	0	0	107.7	K419 E423 I426	K419-F421 HydrophobicContact CB-CE2 3.66Å; K419-F421 HydrophobicContact CB-CZ 3.88Å; K419-F421 HydrophobicContact CD-CE2 4.27Å; K419-F421 HydrophobicContact CD-CZ 3.96Å; F421-E423 PolarHBondContact O-N 2.99Å; F421-I426 HydrophobicContact CB-CD1 4.12Å
422	D	88.9	Confident	91.4	Very high	101 Å²	101	80.1 Å²	80.1	54%	0.54	40%	0.399	S	S	.	.			trans	-89.1	89.3	169.2	-162.4	-41.8	0	0	0	108.8	D424 N425 I426	D422-D424 VanDerWaalsContact C-N 3.33Å; D422-D424 PolarHBondContact O-N 2.68Å; D422-D424 PolarHBondContact OD1-N 3.24Å; D422-N425 HydrophobicContact CB-CB 3.93Å; D422-N425 PolarHBondContact O-N 3.16Å; D422-N425 WeakPolarHBondContact OD1-CB 3.41Å; D422-N425 PolarHBondContact OD1-N 3.17Å; D422-I426 WeakPolarHBondContact O-CB 3.33Å; D422-I426 WeakPolarHBondContact O-CD1 3.36Å; D422-I426 VanDerWaalsContact O-CG1 3.23Å; D422-I426 WeakPolarHBondContact O-CG1 3.3Å; D422-I426 PolarHBondContact O-N 3.47Å
423	E	87.9	Confident	91.2	Very high	86 Å²	86	81.9 Å²	81.9	40%	0.402	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-35.8	-174.8	-171.8	172.3	-166.9	0	0	112.2	R415 F421 L427	R415-E423 IonicContact NH2-OE2 2.87Å; F421-E423 PolarHBondContact O-N 2.99Å; E423-L427 HydrophobicContact CG-CD1 4.02Å; E423-L427 VanDerWaalsContact O-CB 3.29Å; E423-L427 WeakPolarHBondContact O-CB 3.43Å; E423-L427 WeakPolarHBondContact O-CG 3.22Å; E423-L427 PolarHBondContact O-N 2.64Å; E423-L427 VanDerWaalsContact O-N 3.09Å
424	D	88.2	Confident	91.2	Very high	105 Å²	105	80.8 Å²	80.8	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-70.4	-39.9	176.8	-83	-32.9	0	0	0	111.1	D422 S428 K469	D422-D424 VanDerWaalsContact C-N 3.33Å; D422-D424 PolarHBondContact O-N 2.68Å; D422-D424 PolarHBondContact OD1-N 3.24Å; D424-S428 PolarHBondContact O-N 3.31Å; D424-K469 IonicContact OD1-NZ 2.66Å; D424-K469 PolarHBondContact OD1-NZ 3.35Å; D424-K469 IonicContact OD2-NZ 2.65Å; D424-K469 PolarHBondContact OD2-NZ 3.25Å
425	N	91.8	Very high	91.1	Very high	74 Å²	74	81 Å²	81	40%	0.396	41%	0.414	S	S	.	.	H	α-helix	trans	-68	-49.2	175.2	-175	88.5	0	0	0	112.2	D422 L427 S428 E429	D422-N425 HydrophobicContact CB-CB 3.93Å; D422-N425 PolarHBondContact O-N 3.16Å; D422-N425 WeakPolarHBondContact OD1-CB 3.41Å; D422-N425 PolarHBondContact OD1-N 3.17Å; N425-L427 VanDerWaalsContact C-N 3.31Å; N425-L427 PolarHBondContact O-N 2.8Å; N425-S428 WeakPolarHBondContact O-CA 3.36Å; N425-S428 WeakPolarHBondContact O-CB 3.32Å; N425-S428 PolarHBondContact O-N 2.79Å; N425-S428 PolarHBondContact O-OG 3.02Å; N425-E429 PolarHBondContact ND2-OE1 2.78Å; N425-E429 PolarHBondContact O-N 3.36Å
426	I	92.8	Very high	90.9	Very high	74 Å²	74	83.1 Å²	83.1	38%	0.379	43%	0.426	S	S	.	.	H	α-helix	trans	-59.7	-41.1	-179.6	-67.8	163.9	0	0	0	111	F421 D422 S428 E429	F421-I426 HydrophobicContact CB-CD1 4.12Å; D422-I426 WeakPolarHBondContact O-CB 3.33Å; D422-I426 WeakPolarHBondContact O-CD1 3.36Å; D422-I426 VanDerWaalsContact O-CG1 3.23Å; D422-I426 WeakPolarHBondContact O-CG1 3.3Å; D422-I426 PolarHBondContact O-N 3.47Å; I426-S428 PolarHBondContact O-N 3.13Å; I426-E429 PolarHBondContact O-N 2.82Å
427	L	91.1	Very high	90.9	Very high	30 Å²	30	86.4 Å²	86.4	16%	0.157	44%	0.444	C	S	.	.	H	α-helix	trans	-76.4	4.8	175.4	-63.4	175.4	0	0	0	114.1	E423 N425 L430 K435 I438	E423-L427 HydrophobicContact CG-CD1 4.02Å; E423-L427 VanDerWaalsContact O-CB 3.29Å; E423-L427 WeakPolarHBondContact O-CB 3.43Å; E423-L427 WeakPolarHBondContact O-CG 3.22Å; E423-L427 PolarHBondContact O-N 2.64Å; E423-L427 VanDerWaalsContact O-N 3.09Å; N425-L427 VanDerWaalsContact C-N 3.31Å; N425-L427 PolarHBondContact O-N 2.8Å; L427-L430 HydrophobicContact CD2-CD1 4.29Å; L427-K435 WeakPolarHBondContact O-CD 3.39Å; L427-K435 VanDerWaalsContact O-CE 3.27Å; L427-K435 WeakPolarHBondContact O-CE 3.48Å; L427-K435 PolarHBondContact O-NZ 3.16Å; L427-I438 HydrophobicContact CD2-CD1 4.47Å; L427-I438 HydrophobicContact CD2-CG2 4.19Å
428	S	91.2	Very high	91	Very high	80 Å²	80	83.6 Å²	83.6	56%	0.559	43%	0.432	S	S	*	.	H	α-helix	trans	-106.7	-19.4	170.7	78.2	0	0	0	0	113.5	D424 N425 I426	D424-S428 PolarHBondContact O-N 3.31Å; N425-S428 WeakPolarHBondContact O-CA 3.36Å; N425-S428 WeakPolarHBondContact O-CB 3.32Å; N425-S428 PolarHBondContact O-N 2.79Å; N425-S428 PolarHBondContact O-OG 3.02Å; I426-S428 PolarHBondContact O-N 3.13Å
429	E	93	Very high	91.1	Very high	143 Å²	143	83.5 Å²	83.5	67%	0.668	43%	0.427	S	S	*	.	H	α-helix	trans	-80.3	-18.9	171.6	-67.9	172.1	-170.3	0	0	112.4	N425 I426	N425-E429 PolarHBondContact ND2-OE1 2.78Å; N425-E429 PolarHBondContact O-N 3.36Å; I426-E429 PolarHBondContact O-N 2.82Å
430	L	93.8	Very high	91.1	Very high	59 Å²	59	80.7 Å²	80.7	31%	0.309	42%	0.417	S	S	.	.	S	Bend	trans	-87.7	151.2	176.2	-62	178.7	0	0	0	112.2	L427 L434 I438	L427-L430 HydrophobicContact CD2-CD1 4.29Å; L430-L434 HydrophobicContact CD2-CD1 4.31Å; L430-I438 HydrophobicContact CD1-CD1 3.44Å; L430-I438 VanDerWaalsContact CD1-CD1 3.44Å
431	N	94.1	Very high	91.3	Very high	89 Å²	89	84.8 Å²	84.8	48%	0.476	43%	0.434	S	S	.	.			trans	-74.9	158.6	169.5	68.6	-18.1	0	0	0	111.9	L434 K435	N431-L434 PolarHBondContact O-N 3.02Å; N431-L434 WeakPolarHBondContact OD1-CB 3.2Å; N431-L434 WeakPolarHBondContact OD1-CD1 3.22Å; N431-L434 VanDerWaalsContact OD1-CG 3.23Å; N431-L434 WeakPolarHBondContact OD1-CG 3.3Å; N431-K435 PolarHBondContact O-N 3.32Å; N431-K435 VanDerWaalsContact O-N 3.11Å
432	D	90.9	Very high	91.4	Very high	109 Å²	109	82.2 Å²	82.2	58%	0.583	43%	0.426	S	S	*	.	H	α-helix	trans	-57.2	-41	-173.1	-55.1	-69.1	0	0	0	114.4	L434 K435 E436	D432-L434 PolarHBondContact O-N 3.11Å; D432-K435 WeakPolarHBondContact O-CB 3.45Å; D432-K435 PolarHBondContact O-N 2.98Å; D432-E436 WeakPolarHBondContact O-CB 3.1Å; D432-E436 WeakPolarHBondContact O-CG 3.44Å; D432-E436 PolarHBondContact O-N 3.1Å
433	P	92	Very high	91.5	Very high	83 Å²	83	77.6 Å²	77.6	54%	0.539	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-41.3	176.9	-26.4	36.3	0	0	0	114.6	K435 E437	P433-K435 VanDerWaalsContact C-N 3.35Å; P433-E437 WeakPolarHBondContact O-CB 3.43Å; P433-E437 PolarHBondContact O-N 3.15Å
434	L	93.8	Very high	91.6	Very high	79 Å²	79	79.4 Å²	79.4	41%	0.414	40%	0.404	S	S	.	.	H	α-helix	trans	-69.5	-36.3	176.3	-72.5	177.1	0	0	0	111.3	L430 N431 D432 E437 I438	L430-L434 HydrophobicContact CD2-CD1 4.31Å; N431-L434 PolarHBondContact O-N 3.02Å; N431-L434 WeakPolarHBondContact OD1-CB 3.2Å; N431-L434 WeakPolarHBondContact OD1-CD1 3.22Å; N431-L434 VanDerWaalsContact OD1-CG 3.23Å; N431-L434 WeakPolarHBondContact OD1-CG 3.3Å; D432-L434 PolarHBondContact O-N 3.11Å; L434-E437 PolarHBondContact O-N 2.87Å; L434-I438 WeakPolarHBondContact O-CB 3.43Å; L434-I438 WeakPolarHBondContact O-CD1 3.22Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å; L434-I438 PolarHBondContact O-N 2.93Å
435	K	91.4	Very high	91.6	Very high	64 Å²	64	81.9 Å²	81.9	28%	0.278	41%	0.41	S	S	.	.	H	α-helix	trans	-64.2	-45.3	175.6	-177.8	-179.5	-171.7	157.4	0	111.5	L427 N431 D432 P433 I438 V439	L427-K435 WeakPolarHBondContact O-CD 3.39Å; L427-K435 VanDerWaalsContact O-CE 3.27Å; L427-K435 WeakPolarHBondContact O-CE 3.48Å; L427-K435 PolarHBondContact O-NZ 3.16Å; N431-K435 PolarHBondContact O-N 3.32Å; N431-K435 VanDerWaalsContact O-N 3.11Å; D432-K435 WeakPolarHBondContact O-CB 3.45Å; D432-K435 PolarHBondContact O-N 2.98Å; P433-K435 VanDerWaalsContact C-N 3.35Å; K435-I438 PolarHBondContact O-N 2.98Å; K435-V439 VanDerWaalsContact O-CB 3.27Å; K435-V439 WeakPolarHBondContact O-CB 3.42Å; K435-V439 WeakPolarHBondContact O-CG2 3.21Å; K435-V439 PolarHBondContact O-N 3.34Å
436	E	90.3	Very high	91.5	Very high	93 Å²	93	78.5 Å²	78.5	44%	0.435	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-42.6	173.5	-72.9	-178.5	175.6	0	0	112	D432 V439 N440 T462	D432-E436 WeakPolarHBondContact O-CB 3.1Å; D432-E436 WeakPolarHBondContact O-CG 3.44Å; D432-E436 PolarHBondContact O-N 3.1Å; E436-V439 PolarHBondContact O-N 2.93Å; E436-N440 VanDerWaalsContact O-CB 3.25Å; E436-N440 WeakPolarHBondContact O-CB 3.44Å; E436-N440 PolarHBondContact O-N 3.07Å; E436-N440 PolarHBondContact O-ND2 3.08Å; E436-T462 HydrophobicContact CB-CG2 3.87Å; E436-T462 HydrophobicContact CG-CG2 3.53Å
437	E	91.9	Very high	91.3	Very high	134 Å²	134	76.4 Å²	76.4	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-47.1	176.9	-172.2	178.7	-176.4	0	0	111.8	P433 L434 V439 N440 F441	P433-E437 WeakPolarHBondContact O-CB 3.43Å; P433-E437 PolarHBondContact O-N 3.15Å; L434-E437 PolarHBondContact O-N 2.87Å; E437-V439 PolarHBondContact O-N 3.48Å; E437-N440 PolarHBondContact O-N 2.9Å; E437-F441 VanDerWaalsContact O-CB 3.28Å; E437-F441 WeakPolarHBondContact O-CB 3.3Å; E437-F441 PolarHBondContact O-N 2.82Å
438	I	93	Very high	91	Very high	61 Å²	61	78.9 Å²	78.9	31%	0.313	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-45	177.3	-71	164.3	0	0	0	111.1	L427 L430 L434 K435 F441 N442	L427-I438 HydrophobicContact CD2-CD1 4.47Å; L427-I438 HydrophobicContact CD2-CG2 4.19Å; L430-I438 HydrophobicContact CD1-CD1 3.44Å; L430-I438 VanDerWaalsContact CD1-CD1 3.44Å; L434-I438 WeakPolarHBondContact O-CB 3.43Å; L434-I438 WeakPolarHBondContact O-CD1 3.22Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å; L434-I438 PolarHBondContact O-N 2.93Å; K435-I438 PolarHBondContact O-N 2.98Å; I438-F441 PolarHBondContact O-N 3.24Å; I438-N442 WeakPolarHBondContact O-CB 3.49Å; I438-N442 VanDerWaalsContact O-CG 3.27Å; I438-N442 PolarHBondContact O-N 3.02Å; I438-N442 PolarHBondContact O-ND2 3.06Å
439	V	90.6	Very high	90.8	Very high	21 Å²	21	78.5 Å²	78.5	13%	0.127	40%	0.402	C	S	.	.	H	α-helix	trans	-65.5	-46.4	179.4	164.2	0	0	0	0	111	K435 E436 E437 F441 N442 C443 L465	K435-V439 VanDerWaalsContact O-CB 3.27Å; K435-V439 WeakPolarHBondContact O-CB 3.42Å; K435-V439 WeakPolarHBondContact O-CG2 3.21Å; K435-V439 PolarHBondContact O-N 3.34Å; E436-V439 PolarHBondContact O-N 2.93Å; E437-V439 PolarHBondContact O-N 3.48Å; V439-F441 PolarHBondContact O-N 2.67Å; V439-N442 PolarHBondContact O-N 2.9Å; V439-C443 WeakPolarHBondContact O-CB 3.23Å; V439-C443 PolarHBondContact O-N 3.3Å; V439-C443 PolarHBondContact O-SG 2.8Å; V439-L465 HydrophobicContact CG1-CB 3.49Å; V439-L465 VanDerWaalsContact CG1-CB 3.49Å
440	N	90.3	Very high	90.4	Very high	51 Å²	51	71.7 Å²	71.7	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-43.8	173.5	-86.4	-65.3	0	0	0	111.5	E436 E437 C443 R444 T462 L465	E436-N440 VanDerWaalsContact O-CB 3.25Å; E436-N440 WeakPolarHBondContact O-CB 3.44Å; E436-N440 PolarHBondContact O-N 3.07Å; E436-N440 PolarHBondContact O-ND2 3.08Å; E437-N440 PolarHBondContact O-N 2.9Å; N440-C443 PolarHBondContact O-N 2.99Å; N440-R444 WeakPolarHBondContact O-CA 3.37Å; N440-R444 WeakPolarHBondContact O-CB 3.26Å; N440-R444 PolarHBondContact O-N 3.47Å; N440-T462 PolarHBondContact ND2-OG1 2.85Å; N440-T462 VanDerWaalsContact ND2-OG1 3.17Å; N440-L465 WeakPolarHBondContact OD1-CD1 3.32Å
441	F	92	Very high	89.8	Confident	119 Å²	119	69.4 Å²	69.4	52%	0.522	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-48.3	176.1	-179.4	-93.7	0	0	0	111.8	E437 I438 V439 C443 R444	E437-F441 VanDerWaalsContact O-CB 3.28Å; E437-F441 WeakPolarHBondContact O-CB 3.3Å; E437-F441 PolarHBondContact O-N 2.82Å; I438-F441 PolarHBondContact O-N 3.24Å; V439-F441 PolarHBondContact O-N 2.67Å; F441-C443 VanDerWaalsContact C-N 3.32Å; F441-C443 PolarHBondContact O-N 2.84Å; F441-R444 VanDerWaalsContact CD1-NH1 3.29Å; F441-R444 VanDerWaalsContact CE2-CZ 3.49Å; F441-R444 VanDerWaalsContact CE2-NH1 3.28Å; F441-R444 WeakPolarHBondContact O-CD 3.45Å; F441-R444 VanDerWaalsContact O-CG 3.25Å; F441-R444 WeakPolarHBondContact O-CG 3.37Å; F441-R444 PolarHBondContact O-N 3.16Å; F441-R444 PolarHBondContact O-NH1 3.19Å
442	N	90.3	Very high	89.2	Confident	72 Å²	72	65.2 Å²	65.2	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-35.8	-179.8	-75.3	-18.4	0	0	0	112.5	I438 V439	I438-N442 WeakPolarHBondContact O-CB 3.49Å; I438-N442 VanDerWaalsContact O-CG 3.27Å; I438-N442 PolarHBondContact O-N 3.02Å; I438-N442 PolarHBondContact O-ND2 3.06Å; V439-N442 PolarHBondContact O-N 2.9Å
443	C	91.4	Very high	88.9	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-94.2	-5.1	-177.6	-64.4	0	0	0	0	114.5	V439 N440 F441 K445 L446 V447 L465	V439-C443 WeakPolarHBondContact O-CB 3.23Å; V439-C443 PolarHBondContact O-N 3.3Å; V439-C443 PolarHBondContact O-SG 2.8Å; N440-C443 PolarHBondContact O-N 2.99Å; F441-C443 VanDerWaalsContact C-N 3.32Å; F441-C443 PolarHBondContact O-N 2.84Å; C443-K445 PolarHBondContact O-N 2.93Å; C443-L446 WeakPolarHBondContact O-CA 3.28Å; C443-L446 WeakPolarHBondContact O-CB 3.34Å; C443-L446 PolarHBondContact O-N 3.29Å; C443-V447 PolarHBondContact O-N 3.27Å; C443-L465 HydrophobicContact CB-CD1 3.85Å; C443-L465 HydrophobicContact CB-CD2 3.56Å; C443-L465 HydrophobicContact CB-CG 4.25Å
444	R	89.8	Confident	88.3	Confident	123 Å²	123	59.3 Å²	59.3	46%	0.464	31%	0.309	S	S	.	.	H	α-helix	trans	-49.8	-34.9	-174.1	73.2	-168.9	-176	-97.3	19.4	115.4	N440 F441 A448	N440-R444 WeakPolarHBondContact O-CA 3.37Å; N440-R444 WeakPolarHBondContact O-CB 3.26Å; N440-R444 PolarHBondContact O-N 3.47Å; F441-R444 VanDerWaalsContact CD1-NH1 3.29Å; F441-R444 VanDerWaalsContact CE2-CZ 3.49Å; F441-R444 VanDerWaalsContact CE2-NH1 3.28Å; F441-R444 WeakPolarHBondContact O-CD 3.45Å; F441-R444 VanDerWaalsContact O-CG 3.25Å; F441-R444 WeakPolarHBondContact O-CG 3.37Å; F441-R444 PolarHBondContact O-N 3.16Å; F441-R444 PolarHBondContact O-NH1 3.19Å; R444-A448 VanDerWaalsContact O-CB 3.3Å; R444-A448 WeakPolarHBondContact O-CB 3.29Å; R444-A448 PolarHBondContact O-N 3.29Å
445	K	88.4	Confident	87.6	Confident	158 Å²	158	60 Å²	60	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-67.2	-37.8	175.9	-68.7	-173.5	177.7	-176.5	0	112.6	C443 T449	C443-K445 PolarHBondContact O-N 2.93Å; K445-T449 WeakPolarHBondContact O-CB 3.44Å; K445-T449 WeakPolarHBondContact O-CG2 3.28Å; K445-T449 PolarHBondContact O-N 2.87Å; K445-T449 PolarHBondContact O-OG1 3.46Å
446	L	89.3	Confident	87.3	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-71.2	-44.1	175.8	177.7	64.5	0	0	0	110.6	C443 A448 T449 M450 F453 F491 F539	C443-L446 WeakPolarHBondContact O-CA 3.28Å; C443-L446 WeakPolarHBondContact O-CB 3.34Å; C443-L446 PolarHBondContact O-N 3.29Å; L446-A448 PolarHBondContact O-N 2.91Å; L446-T449 PolarHBondContact O-N 3.2Å; L446-T449 PolarHBondContact O-OG1 3.15Å; L446-M450 HydrophobicContact CD1-SD 4.49Å; L446-M450 VanDerWaalsContact O-CB 3.23Å; L446-M450 WeakPolarHBondContact O-CB 3.33Å; L446-M450 PolarHBondContact O-N 2.98Å; L446-F453 HydrophobicContact CD2-CE2 4.42Å; L446-F453 HydrophobicContact CG-CE2 4.43Å; L446-F491 HydrophobicContact CD1-CB 4.11Å; L446-F491 HydrophobicContact CD2-CB 3.67Å; L446-F491 HydrophobicContact CD2-CG 4.25Å; L446-F539 HydrophobicContact CD2-CD2 4.09Å
447	V	88.2	Confident	87.2	Confident	30 Å²	30	56.7 Å²	56.7	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-48.9	175.8	178.3	0	0	0	0	111.3	C443 T449 F453 V461 L465	C443-V447 PolarHBondContact O-N 3.27Å; V447-T449 VanDerWaalsContact C-N 3.31Å; V447-T449 PolarHBondContact O-N 3.23Å; V447-F453 HydrophobicContact CG1-CB 4.22Å; V447-V461 HydrophobicContact CG1-CG1 4.14Å; V447-V461 HydrophobicContact CG2-CG1 3.85Å; V447-L465 HydrophobicContact CG2-CD1 3.75Å; V447-L465 HydrophobicContact CG2-CD2 4.3Å
448	A	86.1	Confident	87.1	Confident	81 Å²	81	54.8 Å²	54.8	67%	0.669	30%	0.303	S	S	*	.	H	α-helix	trans	-73.3	-15.7	-177.9	0	0	0	0	0	114.9	R444 L446	R444-A448 VanDerWaalsContact O-CB 3.3Å; R444-A448 WeakPolarHBondContact O-CB 3.29Å; R444-A448 PolarHBondContact O-N 3.29Å; L446-A448 PolarHBondContact O-N 2.91Å
449	T	85.5	Confident	87	Confident	73 Å²	73	56.9 Å²	56.9	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-103.8	-21	179	50.1	0	0	0	0	113.7	K445 L446 V447 P451 G512	K445-T449 WeakPolarHBondContact O-CB 3.44Å; K445-T449 WeakPolarHBondContact O-CG2 3.28Å; K445-T449 PolarHBondContact O-N 2.87Å; K445-T449 PolarHBondContact O-OG1 3.46Å; L446-T449 PolarHBondContact O-N 3.2Å; L446-T449 PolarHBondContact O-OG1 3.15Å; V447-T449 VanDerWaalsContact C-N 3.31Å; V447-T449 PolarHBondContact O-N 3.23Å; T449-P451 WeakPolarHBondContact O-CD 3.34Å; T449-G512 WeakPolarHBondContact OG1-CA 3.34Å
450	M	86.2	Confident	87	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.			trans	-91.4	115.6	-176.1	-169.7	172.6	119.4	0	0	111.6	L446 L452 F453 A454 F491 Y514	L446-M450 HydrophobicContact CD1-SD 4.49Å; L446-M450 VanDerWaalsContact O-CB 3.23Å; L446-M450 WeakPolarHBondContact O-CB 3.33Å; L446-M450 PolarHBondContact O-N 2.98Å; M450-L452 HydrophobicContact CE-CB 3.76Å; M450-L452 HydrophobicContact CE-CD2 4.03Å; M450-L452 HydrophobicContact CE-CG 4.26Å; M450-L452 PolarHBondContact O-N 3.03Å; M450-F453 HydrophobicContact CB-CD2 4.06Å; M450-F453 HydrophobicContact CE-CD1 3.73Å; M450-F453 HydrophobicContact CE-CD2 3.51Å; M450-F453 HydrophobicContact CE-CE1 3.63Å; M450-F453 HydrophobicContact CE-CE2 3.4Å; M450-F453 VanDerWaalsContact CE-CE2 3.4Å; M450-F453 HydrophobicContact CE-CG 3.68Å; M450-F453 HydrophobicContact CE-CZ 3.47Å; M450-F453 VanDerWaalsContact CE-CZ 3.47Å; M450-F453 HydrophobicContact CG-CD2 4.29Å; M450-F453 PolarHBondContact O-N 2.8Å; M450-F453 HydrophobicContact SD-CD2 3.67Å; M450-F453 HydrophobicContact SD-CE2 3.61Å; M450-F453 HydrophobicContact SD-CG 4.35Å; M450-F453 HydrophobicContact SD-CZ 4.24Å; M450-A454 PolarHBondContact O-N 2.82Å; M450-F491 HydrophobicContact CE-CD1 4.1Å; M450-F491 HydrophobicContact CE-CE1 3.68Å; M450-F491 HydrophobicContact SD-CD1 3.54Å; M450-F491 VanDerWaalsContact SD-CD1 3.54Å; M450-F491 HydrophobicContact SD-CE1 3.79Å; M450-Y514 HydrophobicContact CE-CD1 4.23Å; M450-Y514 HydrophobicContact CG-CD1 4.27Å; M450-Y514 HydrophobicContact SD-CD1 3.86Å
451	P	81	Confident	87.1	Confident	10 Å²	10	53.8 Å²	53.8	7%	0.065	30%	0.298	C	S	.	.	H	α-helix	trans	-48.4	-34.6	-178.8	-36.2	40.8	0	0	0	115.9	T449 N455 Q605 M609	T449-P451 WeakPolarHBondContact O-CD 3.34Å; P451-N455 PolarHBondContact O-ND2 3.32Å; P451-Q605 HydrophobicContact CB-CB 3.99Å; P451-Q605 VanDerWaalsContact CB-OE1 3.24Å; P451-Q605 HydrophobicContact CG-CB 3.55Å; P451-M609 HydrophobicContact CG-CE 3.94Å; P451-M609 HydrophobicContact CG-SD 4.33Å
452	L	80.8	Confident	87	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-82.2	-17.4	-175.2	-172.1	69.4	0	0	0	113.3	M450 A456 Y514 M556 A559 F560 I602	M450-L452 HydrophobicContact CE-CB 3.76Å; M450-L452 HydrophobicContact CE-CD2 4.03Å; M450-L452 HydrophobicContact CE-CG 4.26Å; M450-L452 PolarHBondContact O-N 3.03Å; L452-A456 WeakPolarHBondContact O-CB 3.41Å; L452-Y514 HydrophobicContact CD2-CE1 4.5Å; L452-M556 HydrophobicContact CD1-CE 3.47Å; L452-M556 VanDerWaalsContact CD1-CE 3.47Å; L452-M556 HydrophobicContact CG-CE 3.71Å; L452-M556 WeakPolarHBondContact O-CE 3.31Å; L452-A559 HydrophobicContact CD1-CB 3.56Å; L452-F560 HydrophobicContact CD2-CD1 3.67Å; L452-F560 HydrophobicContact CD2-CD2 4.02Å; L452-F560 HydrophobicContact CD2-CE1 3.31Å; L452-F560 HydrophobicContact CD2-CE2 3.7Å; L452-F560 HydrophobicContact CD2-CG 4.02Å; L452-F560 HydrophobicContact CD2-CZ 3.34Å; L452-I602 HydrophobicContact CD1-CD1 4.01Å; L452-I602 HydrophobicContact CD1-CG2 4.47Å
453	F	84.2	Confident	87	Confident	4 Å²	4	47 Å²	47	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-97.5	-35.8	171.2	-67.4	-32.9	0	0	0	111.8	L446 V447 M450 N455 A456 F460 V461 M464 L465 F491	L446-F453 HydrophobicContact CD2-CE2 4.42Å; L446-F453 HydrophobicContact CG-CE2 4.43Å; V447-F453 HydrophobicContact CG1-CB 4.22Å; M450-F453 HydrophobicContact CB-CD2 4.06Å; M450-F453 HydrophobicContact CE-CD1 3.73Å; M450-F453 HydrophobicContact CE-CD2 3.51Å; M450-F453 HydrophobicContact CE-CE1 3.63Å; M450-F453 HydrophobicContact CE-CE2 3.4Å; M450-F453 VanDerWaalsContact CE-CE2 3.4Å; M450-F453 HydrophobicContact CE-CG 3.68Å; M450-F453 HydrophobicContact CE-CZ 3.47Å; M450-F453 VanDerWaalsContact CE-CZ 3.47Å; M450-F453 HydrophobicContact CG-CD2 4.29Å; M450-F453 PolarHBondContact O-N 2.8Å; M450-F453 HydrophobicContact SD-CD2 3.67Å; M450-F453 HydrophobicContact SD-CE2 3.61Å; M450-F453 HydrophobicContact SD-CG 4.35Å; M450-F453 HydrophobicContact SD-CZ 4.24Å; F453-N455 PolarHBondContact O-N 2.6Å; F453-N455 VanDerWaalsContact O-N 3.13Å; F453-A456 PolarHBondContact O-N 3.45Å; F453-F460 AromaticContact CD1-CE1 3.99Å; F453-F460 HydrophobicContact CD1-CE1 3.99Å; F453-F460 AromaticContact CE1-CE1 3.93Å; F453-F460 HydrophobicContact CE1-CE1 3.93Å; F453-F460 HydrophobicContact CE1-CZ 4.47Å; F453-V461 HydrophobicContact CB-CG2 4.15Å; F453-V461 HydrophobicContact CD1-CG2 4.09Å; F453-V461 HydrophobicContact CG-CG2 4.4Å; F453-M464 HydrophobicContact CE1-CB 4.32Å; F453-M464 HydrophobicContact CE1-CG 3.88Å; F453-M464 HydrophobicContact CZ-CG 3.8Å; F453-L465 HydrophobicContact CE2-CD2 4.46Å; F453-F491 HydrophobicContact CE2-CD1 4.39Å; F453-F491 HydrophobicContact CE2-CE1 4.29Å; F453-F491 HydrophobicContact CZ-CE1 4.01Å; F453-F491 HydrophobicContact CZ-CZ 4.24Å
454	A	80.5	Confident	87	Confident	63 Å²	63	46.8 Å²	46.8	52%	0.521	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-21.4	-179.9	0	0	0	0	0	114.7	M450	M450-A454 PolarHBondContact O-N 2.82Å
455	N	77.8	Confident	87.1	Confident	94 Å²	94	41 Å²	41	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	16.3	-178.7	-58.4	-76.6	0	0	0	113.3	P451 F453	P451-N455 PolarHBondContact O-ND2 3.32Å; F453-N455 PolarHBondContact O-N 2.6Å; F453-N455 VanDerWaalsContact O-N 3.13Å
456	A	86	Confident	87.2	Confident	20 Å²	20	36.2 Å²	36.2	17%	0.165	24%	0.237	C	C	.	.	S	Bend	trans	-107.1	168.1	-175.4	0	0	0	0	0	113	L452 F453 F460 V461 M556	L452-A456 WeakPolarHBondContact O-CB 3.41Å; F453-A456 PolarHBondContact O-N 3.45Å; A456-F460 HydrophobicContact CB-CD1 3.81Å; A456-F460 HydrophobicContact CB-CE1 4.27Å; A456-V461 HydrophobicContact CB-CG2 4.14Å; A456-M556 HydrophobicContact CB-CE 3.66Å; A456-M556 HydrophobicContact CB-SD 4.1Å
457	D	88.9	Confident	87.4	Confident	67 Å²	67	38.7 Å²	38.7	36%	0.358	25%	0.248	S	C	.	.			trans	-60.1	126.7	170.9	-173.2	-23.8	0	0	0	110.5	N459 F460 V461 Y553	D457-N459 PolarHBondContact O-N 3.01Å; D457-N459 VanDerWaalsContact O-N 3.15Å; D457-N459 WeakPolarHBondContact OD1-CB 3.44Å; D457-N459 PolarHBondContact OD1-N 3.48Å; D457-N459 PolarHBondContact OD1-ND2 2.98Å; D457-F460 HydrophobicContact CB-CB 4.17Å; D457-F460 WeakPolarHBondContact O-CB 3.5Å; D457-F460 PolarHBondContact O-N 3.03Å; D457-F460 VanDerWaalsContact O-N 3.08Å; D457-V461 PolarHBondContact O-N 2.77Å; D457-Y553 HydrophobicContact CB-CE1 4.38Å
458	P	89.1	Confident	87.6	Confident	94 Å²	94	38.3 Å²	38.3	61%	0.61	25%	0.245	S	C	*	.	H	α-helix	trans	-53.9	-28.2	174	-27.7	36.3	0	0	0	114.6	V461 T462	P458-V461 PolarHBondContact O-N 3.12Å; P458-T462 WeakPolarHBondContact O-CB 3.4Å; P458-T462 PolarHBondContact O-N 2.8Å; P458-T462 PolarHBondContact O-OG1 2.85Å
459	N	90.1	Very high	87.9	Confident	105 Å²	105	39 Å²	39	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-69	-46.9	175.5	-57.6	-62.9	0	0	0	110.9	D457 V461 T462 G463 Y553	D457-N459 PolarHBondContact O-N 3.01Å; D457-N459 VanDerWaalsContact O-N 3.15Å; D457-N459 WeakPolarHBondContact OD1-CB 3.44Å; D457-N459 PolarHBondContact OD1-N 3.48Å; D457-N459 PolarHBondContact OD1-ND2 2.98Å; N459-V461 VanDerWaalsContact C-N 3.31Å; N459-V461 PolarHBondContact O-N 3.3Å; N459-T462 PolarHBondContact O-N 2.88Å; N459-G463 PolarHBondContact O-N 3.26Å; N459-Y553 VanDerWaalsContact CB-OH 3.3Å; N459-Y553 WeakPolarHBondContact CB-OH 3.31Å
460	F	91.6	Very high	88.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-43.2	171.6	165.4	-97.8	0	0	0	111.7	F453 A456 D457 M464 V549 L550 Y553 M556 F560	F453-F460 AromaticContact CD1-CE1 3.99Å; F453-F460 HydrophobicContact CD1-CE1 3.99Å; F453-F460 AromaticContact CE1-CE1 3.93Å; F453-F460 HydrophobicContact CE1-CE1 3.93Å; F453-F460 HydrophobicContact CE1-CZ 4.47Å; A456-F460 HydrophobicContact CB-CD1 3.81Å; A456-F460 HydrophobicContact CB-CE1 4.27Å; D457-F460 HydrophobicContact CB-CB 4.17Å; D457-F460 WeakPolarHBondContact O-CB 3.5Å; D457-F460 PolarHBondContact O-N 3.03Å; D457-F460 VanDerWaalsContact O-N 3.08Å; F460-M464 HydrophobicContact CE2-CE 3.5Å; F460-M464 VanDerWaalsContact CE2-CE 3.5Å; F460-M464 HydrophobicContact CZ-CE 3.52Å; F460-M464 WeakPolarHBondContact O-CB 3.47Å; F460-M464 PolarHBondContact O-N 3.46Å; F460-V549 HydrophobicContact CD2-CG1 3.7Å; F460-V549 HydrophobicContact CE2-CG1 3.78Å; F460-L550 HydrophobicContact CE2-CD2 3.96Å; F460-Y553 HydrophobicContact CB-CD1 3.75Å; F460-Y553 HydrophobicContact CB-CD2 3.96Å; F460-Y553 HydrophobicContact CB-CE1 3.81Å; F460-Y553 HydrophobicContact CB-CE2 4.02Å; F460-Y553 HydrophobicContact CB-CG 3.84Å; F460-Y553 HydrophobicContact CD2-CD1 4.38Å; F460-Y553 AromaticContact CD2-CD2 3.71Å; F460-Y553 HydrophobicContact CD2-CD2 3.71Å; F460-Y553 HydrophobicContact CD2-CE2 4.48Å; F460-Y553 AromaticContact CD2-CG 3.65Å; F460-Y553 HydrophobicContact CD2-CG 3.65Å; F460-Y553 HydrophobicContact CG-CD1 4.45Å; F460-Y553 HydrophobicContact CG-CD2 4.33Å; F460-Y553 HydrophobicContact CG-CG 4.15Å; F460-M556 HydrophobicContact CD1-CE 4.09Å; F460-M556 HydrophobicContact CD1-CG 3.97Å; F460-M556 HydrophobicContact CD2-CB 4.21Å; F460-M556 HydrophobicContact CD2-CG 3.85Å; F460-M556 HydrophobicContact CE1-CB 4.28Å; F460-M556 HydrophobicContact CE1-CE 3.55Å; F460-M556 HydrophobicContact CE1-CG 3.88Å; F460-M556 HydrophobicContact CE1-SD 4.43Å; F460-M556 HydrophobicContact CE2-CB 3.64Å; F460-M556 HydrophobicContact CE2-CG 3.73Å; F460-M556 HydrophobicContact CG-CG 3.95Å; F460-M556 HydrophobicContact CZ-CB 3.67Å; F460-M556 HydrophobicContact CZ-CE 4Å; F460-M556 HydrophobicContact CZ-CG 3.75Å; F460-F560 HydrophobicContact CZ-CE2 4.41Å
461	V	91.9	Very high	88.8	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-51.8	177.9	175.6	0	0	0	0	109.9	V447 F453 A456 D457 P458 N459 G463 M464 L465	V447-V461 HydrophobicContact CG1-CG1 4.14Å; V447-V461 HydrophobicContact CG2-CG1 3.85Å; F453-V461 HydrophobicContact CB-CG2 4.15Å; F453-V461 HydrophobicContact CD1-CG2 4.09Å; F453-V461 HydrophobicContact CG-CG2 4.4Å; A456-V461 HydrophobicContact CB-CG2 4.14Å; D457-V461 PolarHBondContact O-N 2.77Å; P458-V461 PolarHBondContact O-N 3.12Å; N459-V461 VanDerWaalsContact C-N 3.31Å; N459-V461 PolarHBondContact O-N 3.3Å; V461-G463 PolarHBondContact O-N 3.1Å; V461-M464 PolarHBondContact O-N 3.17Å; V461-L465 HydrophobicContact CG1-CD1 3.77Å; V461-L465 HydrophobicContact CG1-CG 4.06Å; V461-L465 WeakPolarHBondContact O-CB 3.28Å; V461-L465 WeakPolarHBondContact O-CG 3.46Å; V461-L465 PolarHBondContact O-N 2.87Å
462	T	90.1	Very high	89.5	Confident	22 Å²	22	39.3 Å²	39.3	14%	0.135	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-44.5	-179	-58.5	0	0	0	0	112	E436 N440 P458 N459 M464 L465 S466	E436-T462 HydrophobicContact CB-CG2 3.87Å; E436-T462 HydrophobicContact CG-CG2 3.53Å; N440-T462 PolarHBondContact ND2-OG1 2.85Å; N440-T462 VanDerWaalsContact ND2-OG1 3.17Å; P458-T462 WeakPolarHBondContact O-CB 3.4Å; P458-T462 PolarHBondContact O-N 2.8Å; P458-T462 PolarHBondContact O-OG1 2.85Å; N459-T462 PolarHBondContact O-N 2.88Å; T462-M464 PolarHBondContact O-N 3.09Å; T462-L465 PolarHBondContact O-N 3.27Å; T462-S466 WeakPolarHBondContact O-CB 3.17Å; T462-S466 PolarHBondContact O-N 2.72Å; T462-S466 PolarHBondContact O-OG 3.26Å
463	G	90.1	Very high	90.3	Very high	26 Å²	26	41.1 Å²	41.1	27%	0.268	24%	0.236	S	C	.	.	H	α-helix	trans	-57.6	-44.3	173.3	0	0	0	0	0	112.6	N459 V461 S466 K467	N459-G463 PolarHBondContact O-N 3.26Å; V461-G463 PolarHBondContact O-N 3.1Å; G463-S466 PolarHBondContact O-OG 3.17Å; G463-K467 VanDerWaalsContact O-CG 3.3Å; G463-K467 WeakPolarHBondContact O-CG 3.13Å
464	M	91.9	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-45.8	175.7	-172.2	67.1	71.4	0	0	112.5	F453 F460 V461 T462 K467 L541 V549 F560	F453-M464 HydrophobicContact CE1-CB 4.32Å; F453-M464 HydrophobicContact CE1-CG 3.88Å; F453-M464 HydrophobicContact CZ-CG 3.8Å; F460-M464 HydrophobicContact CE2-CE 3.5Å; F460-M464 VanDerWaalsContact CE2-CE 3.5Å; F460-M464 HydrophobicContact CZ-CE 3.52Å; F460-M464 WeakPolarHBondContact O-CB 3.47Å; F460-M464 PolarHBondContact O-N 3.46Å; V461-M464 PolarHBondContact O-N 3.17Å; T462-M464 PolarHBondContact O-N 3.09Å; M464-K467 PolarHBondContact O-N 2.93Å; M464-L541 HydrophobicContact CE-CD2 4.49Å; M464-L541 HydrophobicContact SD-CD1 4.15Å; M464-L541 HydrophobicContact SD-CD2 3.33Å; M464-L541 WeakPolarHBondContact SD-CD2 3.46Å; M464-L541 HydrophobicContact SD-CG 4.38Å; M464-V549 HydrophobicContact CB-CG1 4.47Å; M464-V549 HydrophobicContact CE-CB 4.17Å; M464-V549 HydrophobicContact CE-CG1 3.79Å; M464-F560 HydrophobicContact CE-CE2 4.43Å
465	L	92	Very high	91.7	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-39.7	-176.6	-67.8	178.9	0	0	0	112.2	V439 N440 C443 V447 F453 V461 T462 K467 L468	V439-L465 HydrophobicContact CG1-CB 3.49Å; V439-L465 VanDerWaalsContact CG1-CB 3.49Å; N440-L465 WeakPolarHBondContact OD1-CD1 3.32Å; C443-L465 HydrophobicContact CB-CD1 3.85Å; C443-L465 HydrophobicContact CB-CD2 3.56Å; C443-L465 HydrophobicContact CB-CG 4.25Å; V447-L465 HydrophobicContact CG2-CD1 3.75Å; V447-L465 HydrophobicContact CG2-CD2 4.3Å; F453-L465 HydrophobicContact CE2-CD2 4.46Å; V461-L465 HydrophobicContact CG1-CD1 3.77Å; V461-L465 HydrophobicContact CG1-CG 4.06Å; V461-L465 WeakPolarHBondContact O-CB 3.28Å; V461-L465 WeakPolarHBondContact O-CG 3.46Å; V461-L465 PolarHBondContact O-N 2.87Å; T462-L465 PolarHBondContact O-N 3.27Å; L465-K467 PolarHBondContact O-N 3.21Å; L465-K467 VanDerWaalsContact O-N 3.09Å; L465-L468 HydrophobicContact CD2-CD1 3.59Å; L465-L468 WeakPolarHBondContact O-CB 3.01Å; L465-L468 PolarHBondContact O-N 2.99Å; L465-L468 VanDerWaalsContact O-N 3.09Å
466	S	90.6	Very high	92.6	Very high	56 Å²	56	41.4 Å²	41.4	39%	0.392	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-19.9	178.7	71	0	0	0	0	113.9	T462 G463	T462-S466 WeakPolarHBondContact O-CB 3.17Å; T462-S466 PolarHBondContact O-N 2.72Å; T462-S466 PolarHBondContact O-OG 3.26Å; G463-S466 PolarHBondContact O-OG 3.17Å
467	K	92.2	Very high	93.1	Very high	55 Å²	55	42.4 Å²	42.4	24%	0.239	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.1	-178.7	-59.8	-72.2	-176.3	151.9	0	113.6	G463 M464 L465 L541 H545 E548 V549	G463-K467 VanDerWaalsContact O-CG 3.3Å; G463-K467 WeakPolarHBondContact O-CG 3.13Å; M464-K467 PolarHBondContact O-N 2.93Å; L465-K467 PolarHBondContact O-N 3.21Å; L465-K467 VanDerWaalsContact O-N 3.09Å; K467-L541 HydrophobicContact CB-CD1 3.81Å; K467-H545 HydrophobicContact CB-CB 3.85Å; K467-H545 HydrophobicContact CD-CB 4.14Å; K467-H545 HydrophobicContact CG-CB 4.12Å; K467-H545 PolarHBondContact O-ND1 2.94Å; K467-E548 IonicContact NZ-OE1 3.89Å; K467-E548 PolarHBondContact NZ-OE1 2.91Å; K467-E548 IonicContact NZ-OE2 3.86Å; K467-E548 PolarHBondContact NZ-OE2 3.46Å; K467-V549 HydrophobicContact CG-CG2 4.47Å
468	L	93.1	Very high	93.4	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	24%	0.235	C	C	.	.			trans	-78.8	145.5	179.5	-64.1	-179.2	0	0	0	112.3	L465 F491 F539 S540 L541	L465-L468 HydrophobicContact CD2-CD1 3.59Å; L465-L468 WeakPolarHBondContact O-CB 3.01Å; L465-L468 PolarHBondContact O-N 2.99Å; L465-L468 VanDerWaalsContact O-N 3.09Å; L468-F491 HydrophobicContact CD2-CD2 3.73Å; L468-F491 HydrophobicContact CD2-CE2 3.65Å; L468-F539 HydrophobicContact CB-CB 4.1Å; L468-F539 HydrophobicContact CB-CD1 3.97Å; L468-F539 HydrophobicContact CB-CG 4.32Å; L468-F539 HydrophobicContact CD1-CB 3.85Å; L468-F539 HydrophobicContact CD1-CD1 4.37Å; L468-F539 HydrophobicContact CD1-CG 4.04Å; L468-F539 HydrophobicContact CD2-CB 4.22Å; L468-F539 HydrophobicContact CG-CB 4.28Å; L468-S540 WeakPolarHBondContact CA-O 3.24Å; L468-L541 HydrophobicContact CD2-CB 3.91Å; L468-L541 HydrophobicContact CD2-CD1 4.16Å
469	K	93.4	Very high	93.8	Very high	96 Å²	96	40 Å²	40	42%	0.417	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.3	169.4	-74	-171	174.5	-73.6	0	111.9	D424 F539 S540	D424-K469 IonicContact OD1-NZ 2.66Å; D424-K469 PolarHBondContact OD1-NZ 3.35Å; D424-K469 IonicContact OD2-NZ 2.65Å; D424-K469 PolarHBondContact OD2-NZ 3.25Å; K469-F539 CarbonylContact O-C 3.48Å; K469-F539 WeakPolarHBondContact O-CA 3.44Å; K469-S540 PolarHBondContact N-O 3.3Å; K469-S540 PolarHBondContact O-N 2.94Å
470	F	93.6	Very high	94.1	Very high	43 Å²	43	35.4 Å²	35.4	19%	0.189	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.4	-176.4	-179.2	-102	0	0	0	112.4	V472 R537 F539	F470-V472 HydrophobicContact CD1-CG2 4.48Å; F470-V472 HydrophobicContact CE1-CG2 3.6Å; F470-V472 HydrophobicContact CZ-CG2 3.77Å; F470-R537 HydrophobicContact CE2-CB 3.94Å; F470-R537 HydrophobicContact CE2-CG 4.45Å; F470-R537 HydrophobicContact CZ-CB 4.14Å; F470-R537 HydrophobicContact CZ-CG 4.17Å; F470-F539 HydrophobicContact CB-CD1 4.25Å; F470-F539 HydrophobicContact CB-CE1 3.97Å; F470-F539 HydrophobicContact CD2-CD1 4.44Å; F470-F539 AromaticContact CD2-CE1 3.98Å; F470-F539 HydrophobicContact CD2-CE1 3.98Å; F470-F539 HydrophobicContact CD2-CZ 4.11Å; F470-F539 HydrophobicContact CG-CE1 4.46Å
471	E	95.3	Very high	94.3	Very high	41 Å²	41	42 Å²	42	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.6	-179.8	-68.8	-178.8	-156.3	0	0	111.4	F473 K488 L538 S540	E471-F473 HydrophobicContact CB-CE2 3.86Å; E471-F473 WeakPolarHBondContact OE2-CZ 3.46Å; E471-K488 IonicContact OE1-NZ 2.71Å; E471-K488 PolarHBondContact OE1-NZ 2.8Å; E471-K488 IonicContact OE2-NZ 3.49Å; E471-K488 PolarHBondContact OE2-NZ 3.44Å; E471-L538 PolarHBondContact N-O 3.43Å; E471-L538 PolarHBondContact O-N 2.85Å; E471-L538 VanDerWaalsContact O-O 3.1Å; E471-S540 WeakPolarHBondContact OE1-CB 3.32Å; E471-S540 PolarHBondContact OE1-OG 3.39Å
472	V	96.9	Very high	94.3	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.8	176.6	177.9	0	0	0	0	109.1	Y411 H414 R415 F470 C536 R537	Y411-V472 WeakPolarHBondContact CE2-O 3.49Å; H414-V472 HydrophobicContact CB-CG1 4.42Å; R415-V472 HydrophobicContact CB-CB 4.5Å; R415-V472 HydrophobicContact CB-CG2 4.45Å; F470-V472 HydrophobicContact CD1-CG2 4.48Å; F470-V472 HydrophobicContact CE1-CG2 3.6Å; F470-V472 HydrophobicContact CZ-CG2 3.77Å; V472-C536 WeakPolarHBondContact CA-O 3.21Å; V472-R537 HydrophobicContact CG2-CG 4.48Å
473	F	97.8	Very high	94.4	Very high	39 Å²	39	44.4 Å²	44.4	17%	0.171	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.6	176.5	-67.2	-93.4	0	0	0	110.3	E471 D477 I479 Y490 A532 Y535 C536 L538	E471-F473 HydrophobicContact CB-CE2 3.86Å; E471-F473 WeakPolarHBondContact OE2-CZ 3.46Å; F473-D477 HydrophobicContact CD1-CB 4.44Å; F473-I479 HydrophobicContact CB-CG1 4.12Å; F473-I479 HydrophobicContact CD1-CB 4.47Å; F473-I479 HydrophobicContact CD1-CG1 3.76Å; F473-I479 HydrophobicContact CD2-CG1 4.14Å; F473-I479 HydrophobicContact CE1-CB 4.42Å; F473-I479 HydrophobicContact CE1-CG1 4.18Å; F473-I479 HydrophobicContact CE1-CG2 4.22Å; F473-I479 HydrophobicContact CE2-CG2 4.14Å; F473-I479 HydrophobicContact CG-CG1 3.74Å; F473-I479 HydrophobicContact CZ-CG2 3.98Å; F473-Y490 HydrophobicContact CE2-CE1 4.2Å; F473-Y490 HydrophobicContact CZ-CE1 4.21Å; F473-A532 HydrophobicContact CB-CB 4.43Å; F473-Y535 WeakPolarHBondContact O-CA 3.47Å; F473-C536 HydrophobicContact CB-CB 4.4Å; F473-C536 PolarHBondContact N-O 3.2Å; F473-C536 PolarHBondContact O-N 3.33Å; F473-L538 HydrophobicContact CD2-CD1 3.65Å; F473-L538 HydrophobicContact CD2-CG 4.2Å; F473-L538 HydrophobicContact CE2-CD1 3.82Å
474	Q	97.4	Very high	94.5	Very high	13 Å²	13	46 Å²	46	6%	0.061	23%	0.231	C	C	.	.			trans	-96.2	160.1	-176.8	-52.8	179.2	-91	0	0	110.7	K407 Y411 N476 D477 A532 Y535	K407-Q474 PolarHBondContact O-NE2 3.42Å; K407-Q474 PolarHBondContact O-OE1 3.16Å; Y411-Q474 HydrophobicContact CD2-CG 4.25Å; Q474-N476 PolarHBondContact O-N 2.87Å; Q474-D477 WeakPolarHBondContact CB-OD2 3.34Å; Q474-D477 PolarHBondContact N-OD2 3.02Å; Q474-D477 VanDerWaalsContact N-OD2 3.15Å; Q474-D477 WeakPolarHBondContact O-CB 3.4Å; Q474-D477 PolarHBondContact O-N 2.88Å; Q474-D477 VanDerWaalsContact O-N 3.09Å; Q474-A532 WeakPolarHBondContact O-CB 3.4Å; Q474-Y535 HydrophobicContact CB-CD1 4.46Å; Q474-Y535 HydrophobicContact CB-CE1 4.05Å; Q474-Y535 HydrophobicContact CG-CD1 4.35Å; Q474-Y535 HydrophobicContact CG-CE1 3.79Å
475	P	96.9	Very high	94.6	Very high	42 Å²	42	50.6 Å²	50.6	27%	0.273	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	137.9	174.6	-27.6	34.3	0	0	0	112.7	D477 Y535	P475-D477 VanDerWaalsContact C-N 3.28Å; P475-D477 PolarHBondContact O-N 3.45Å; P475-Y535 HydrophobicContact CG-CD2 3.88Å; P475-Y535 HydrophobicContact CG-CE2 3.94Å; P475-Y535 HydrophobicContact CG-CG 4.41Å
476	N	95.1	Very high	94.5	Very high	112 Å²	112	50.9 Å²	50.9	60%	0.599	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	1.9	-175.7	-53.2	-80.2	0	0	0	116.9	Q474 A532	Q474-N476 PolarHBondContact O-N 2.87Å; N476-A532 VanDerWaalsContact CA-O 3.3Å; N476-A532 WeakPolarHBondContact CA-O 3.37Å; N476-A532 PolarHBondContact N-O 3.39Å
477	D	96.2	Very high	94.7	Very high	42 Å²	42	56 Å²	56	23%	0.225	28%	0.278	C	S	.	.			trans	-71.3	134.4	175	-78.9	-35.2	0	0	0	113	K407 F473 Q474 P475 I479 R531 A532	K407-D477 VanDerWaalsContact NZ-CG 3.32Å; K407-D477 IonicContact NZ-OD1 3.52Å; K407-D477 PolarHBondContact NZ-OD1 2.89Å; K407-D477 IonicContact NZ-OD2 2.8Å; K407-D477 PolarHBondContact NZ-OD2 3.4Å; F473-D477 HydrophobicContact CD1-CB 4.44Å; Q474-D477 WeakPolarHBondContact CB-OD2 3.34Å; Q474-D477 PolarHBondContact N-OD2 3.02Å; Q474-D477 VanDerWaalsContact N-OD2 3.15Å; Q474-D477 WeakPolarHBondContact O-CB 3.4Å; Q474-D477 PolarHBondContact O-N 2.88Å; Q474-D477 VanDerWaalsContact O-N 3.09Å; P475-D477 VanDerWaalsContact C-N 3.28Å; P475-D477 PolarHBondContact O-N 3.45Å; D477-I479 PolarHBondContact O-N 3.22Å; D477-R531 CarbonylContact O-C 3.48Å; D477-R531 VanDerWaalsContact O-CA 3.31Å; D477-R531 WeakPolarHBondContact O-CA 3.44Å; D477-A532 PolarHBondContact O-N 3.48Å
478	Y	96.4	Very high	94.8	Very high	98 Å²	98	56.2 Å²	56.2	38%	0.384	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	90.7	174	-79.4	-94.2	0	0	0	111	I480 R481 I500 V530 R531	Y478-I480 PolarHBondContact O-N 3.25Å; Y478-R481 HydrophobicContact CD1-CG 4.48Å; Y478-I500 HydrophobicContact CE1-CD1 4.48Å; Y478-V530 CarbonylContact C-O 3.59Å; Y478-V530 WeakPolarHBondContact CA-O 3.48Å; Y478-R531 HydrophobicContact CD1-CB 4.48Å; Y478-R531 HydrophobicContact CE1-CB 4.44Å; Y478-R531 HydrophobicContact CE2-CG 4.48Å
479	I	97.1	Very high	94.9	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-33.9	175.3	-53.9	151.8	0	0	0	111.3	F473 D477 Y490 V497 F515 V530 A532 L538	F473-I479 HydrophobicContact CB-CG1 4.12Å; F473-I479 HydrophobicContact CD1-CB 4.47Å; F473-I479 HydrophobicContact CD1-CG1 3.76Å; F473-I479 HydrophobicContact CD2-CG1 4.14Å; F473-I479 HydrophobicContact CE1-CB 4.42Å; F473-I479 HydrophobicContact CE1-CG1 4.18Å; F473-I479 HydrophobicContact CE1-CG2 4.22Å; F473-I479 HydrophobicContact CE2-CG2 4.14Å; F473-I479 HydrophobicContact CG-CG1 3.74Å; F473-I479 HydrophobicContact CZ-CG2 3.98Å; D477-I479 PolarHBondContact O-N 3.22Å; I479-Y490 HydrophobicContact CG2-CD1 4.4Å; I479-Y490 HydrophobicContact CG2-CD2 3.91Å; I479-Y490 HydrophobicContact CG2-CE1 4.06Å; I479-Y490 HydrophobicContact CG2-CE2 3.52Å; I479-Y490 HydrophobicContact CG2-CG 4.31Å; I479-Y490 PolarHBondContact O-OH 3.12Å; I479-V497 HydrophobicContact CD1-CB 4.38Å; I479-V497 HydrophobicContact CD1-CG1 3.57Å; I479-F515 HydrophobicContact CB-CE2 4.48Å; I479-F515 HydrophobicContact CD1-CZ 4.16Å; I479-F515 HydrophobicContact CG2-CE2 3.9Å; I479-F515 HydrophobicContact CG2-CZ 3.93Å; I479-V530 HydrophobicContact CD1-CG1 4.42Å; I479-V530 PolarHBondContact N-O 3.31Å; I479-A532 HydrophobicContact CD1-CB 4Å; I479-A532 HydrophobicContact CG1-CB 4.49Å; I479-L538 HydrophobicContact CD1-CD1 4.02Å; I479-L538 HydrophobicContact CG1-CD1 4.41Å; I479-L538 HydrophobicContact CG2-CD1 4Å
480	I	96.8	Very high	95.1	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.4	173.4	-65	-178.2	0	0	0	109.7	Y478 Y490 F515 R526 A528 S529 V530	Y478-I480 PolarHBondContact O-N 3.25Å; I480-Y490 HydrophobicContact CD1-CD2 4.19Å; I480-Y490 HydrophobicContact CD1-CE2 4.13Å; I480-Y490 HydrophobicContact CG1-CD2 4.4Å; I480-Y490 HydrophobicContact CG1-CE2 3.91Å; I480-F515 HydrophobicContact CD1-CD2 3.62Å; I480-F515 HydrophobicContact CD1-CE2 3.79Å; I480-F515 HydrophobicContact CG1-CD2 4.48Å; I480-F515 HydrophobicContact CG1-CE2 4.19Å; I480-R526 HydrophobicContact CG2-CB 3.91Å; I480-R526 HydrophobicContact CG2-CG 3.69Å; I480-A528 WeakPolarHBondContact CG2-O 3.15Å; I480-S529 CarbonylContact O-C 3.03Å; I480-S529 WeakPolarHBondContact O-CA 3.16Å; I480-V530 HydrophobicContact CB-CB 3.99Å; I480-V530 HydrophobicContact CB-CG2 4.04Å; I480-V530 HydrophobicContact CD1-CG2 4.19Å; I480-V530 HydrophobicContact CG1-CB 4.46Å; I480-V530 HydrophobicContact CG1-CG2 4.46Å; I480-V530 PolarHBondContact N-O 2.9Å; I480-V530 VanDerWaalsContact N-O 3.14Å; I480-V530 PolarHBondContact O-N 3.22Å
481	R	94.8	Very high	95.2	Very high	138 Å²	138	49.1 Å²	49.1	52%	0.521	25%	0.247	S	C	.	.			trans	-117.8	132.3	170	-60	-177.7	-175.7	-81	3.3	110.3	Y478 T484 R526	Y478-R481 HydrophobicContact CD1-CG 4.48Å; R481-T484 HydrophobicContact CB-CG2 3.91Å; R481-T484 PolarHBondContact O-N 3.36Å; R481-T484 PolarHBondContact O-OG1 2.68Å; R481-R526 WeakPolarHBondContact O-CB 3.3Å
482	E	92.8	Very high	95.2	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.22	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	146.2	178.2	-169.5	173.3	156	0	0	111.4	T484 K502 A528 S529 K573	E482-T484 PolarHBondContact O-N 3.2Å; E482-T484 VanDerWaalsContact O-N 3.14Å; E482-K502 VanDerWaalsContact OE1-CE 3.26Å; E482-K502 WeakPolarHBondContact OE1-CE 3.47Å; E482-A528 PolarHBondContact N-O 3.39Å; E482-S529 PolarHBondContact N-OG 2.74Å; E482-K573 IonicContact OE1-NZ 3.04Å; E482-K573 PolarHBondContact OE1-NZ 3.35Å; E482-K573 IonicContact OE2-NZ 2.73Å
483	G	91.4	Very high	95	Very high	33 Å²	33	49.4 Å²	49.4	34%	0.34	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-11.7	177.7	0	0	0	0	0	115.6	R525 R526	G483-R525 VanDerWaalsContact O-CD 3.29Å; G483-R525 WeakPolarHBondContact O-CD 3.37Å; G483-R525 WeakPolarHBondContact O-CG 3.24Å; G483-R525 PolarHBondContact O-NH1 2.9Å; G483-R526 PolarHBondContact N-O 3.1Å
484	T	93.8	Very high	94.8	Very high	59 Å²	59	52.4 Å²	52.4	36%	0.362	26%	0.262	S	S	.	.	S	Bend	trans	-71.8	162.7	171.4	63.6	0	0	0	0	111.9	R481 E482 R525 R526	R481-T484 HydrophobicContact CB-CG2 3.91Å; R481-T484 PolarHBondContact O-N 3.36Å; R481-T484 PolarHBondContact O-OG1 2.68Å; E482-T484 PolarHBondContact O-N 3.2Å; E482-T484 VanDerWaalsContact O-N 3.14Å; T484-R525 CarbonylContact O-C 3.59Å; T484-R525 VanDerWaalsContact O-CA 3.31Å; T484-R525 WeakPolarHBondContact O-CA 3.25Å; T484-R526 WeakPolarHBondContact O-CG 3.45Å; T484-R526 PolarHBondContact O-N 3.3Å; T484-R526 WeakPolarHBondContact OG1-CG 3.26Å
485	V	93.3	Very high	94.7	Very high	98 Å²	98	52 Å²	52	59%	0.594	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-85.7	127.7	170.8	179.9	0	0	0	0	108.6	R525	V485-R525 HydrophobicContact CG2-CG 4.47Å
486	G	90.1	Very high	94.7	Very high	9 Å²	9	51.8 Å²	51.8	9%	0.093	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-96.3	119.3	-178	0	0	0	0	0	112.9
487	K	93.6	Very high	94.8	Very high	163 Å²	163	46.4 Å²	46.4	71%	0.709	23%	0.23	S	C	*	.			trans	-98.8	-3.1	176.3	-62.7	-168.4	175.7	-167.5	0	115	V543	K487-V543 PolarHBondContact O-N 2.83Å
488	K	95.3	Very high	94.7	Very high	60 Å²	60	44.4 Å²	44.4	26%	0.261	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.3	179.3	47	167.8	163.1	173.2	0	112.6	E471 Y490 R526 L541	E471-K488 IonicContact OE1-NZ 2.71Å; E471-K488 PolarHBondContact OE1-NZ 2.8Å; E471-K488 IonicContact OE2-NZ 3.49Å; E471-K488 PolarHBondContact OE2-NZ 3.44Å; K488-Y490 HydrophobicContact CD-CE1 3.78Å; K488-Y490 VanDerWaalsContact CE-OH 3.23Å; K488-Y490 WeakPolarHBondContact CE-OH 3.14Å; K488-R526 VanDerWaalsContact O-CZ 3.25Å; K488-R526 PolarHBondContact O-NH1 2.74Å; K488-R526 PolarHBondContact O-NH2 3.29Å; K488-L541 CarbonylContact C-O 3.54Å; K488-L541 WeakPolarHBondContact CA-O 3.33Å; K488-L541 WeakPolarHBondContact CB-O 3.23Å
489	M	95.3	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	171.4	163.6	65.3	175.9	-69.8	0	0	110.6	F491 Y514 E517 L520 S540 L541 F546 F560	M489-F491 HydrophobicContact CE-CD1 4.46Å; M489-F491 HydrophobicContact CE-CE1 3.66Å; M489-F491 HydrophobicContact CE-CE2 4.04Å; M489-F491 HydrophobicContact CE-CZ 3.42Å; M489-F491 VanDerWaalsContact CE-CZ 3.42Å; M489-F491 HydrophobicContact CG-CE2 4.4Å; M489-F491 HydrophobicContact SD-CE2 4.44Å; M489-F491 HydrophobicContact SD-CZ 4.05Å; M489-Y514 HydrophobicContact CE-CD2 3.64Å; M489-Y514 HydrophobicContact CE-CE2 4.32Å; M489-Y514 HydrophobicContact CE-CG 4.3Å; M489-E517 HydrophobicContact CE-CB 4.15Å; M489-E517 HydrophobicContact SD-CB 4.32Å; M489-L520 HydrophobicContact CB-CD2 3.99Å; M489-L520 HydrophobicContact CG-CD2 3.92Å; M489-L520 HydrophobicContact SD-CD2 4.36Å; M489-S540 WeakPolarHBondContact O-CA 3.38Å; M489-L541 HydrophobicContact CG-CB 4.04Å; M489-L541 HydrophobicContact CG-CD2 4.21Å; M489-L541 PolarHBondContact N-O 2.97Å; M489-L541 PolarHBondContact O-N 3.07Å; M489-L541 HydrophobicContact SD-CD2 4.19Å; M489-F546 HydrophobicContact SD-CD2 3.59Å; M489-F546 VanDerWaalsContact SD-CD2 3.59Å; M489-F546 HydrophobicContact SD-CE2 3.44Å; M489-F546 WeakPolarHBondContact SD-CE2 3.46Å; M489-F546 HydrophobicContact SD-CG 4.46Å; M489-F546 HydrophobicContact SD-CZ 4.23Å; M489-F560 HydrophobicContact CE-CE1 3.96Å; M489-F560 HydrophobicContact CE-CZ 4.4Å
490	Y	97.1	Very high	94.3	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.2	-176.7	-56.4	-85.8	0	0	0	112.2	F473 I479 I480 K488 Y514 F515 L538 F539	F473-Y490 HydrophobicContact CE2-CE1 4.2Å; F473-Y490 HydrophobicContact CZ-CE1 4.21Å; I479-Y490 HydrophobicContact CG2-CD1 4.4Å; I479-Y490 HydrophobicContact CG2-CD2 3.91Å; I479-Y490 HydrophobicContact CG2-CE1 4.06Å; I479-Y490 HydrophobicContact CG2-CE2 3.52Å; I479-Y490 HydrophobicContact CG2-CG 4.31Å; I479-Y490 PolarHBondContact O-OH 3.12Å; I480-Y490 HydrophobicContact CD1-CD2 4.19Å; I480-Y490 HydrophobicContact CD1-CE2 4.13Å; I480-Y490 HydrophobicContact CG1-CD2 4.4Å; I480-Y490 HydrophobicContact CG1-CE2 3.91Å; K488-Y490 HydrophobicContact CD-CE1 3.78Å; K488-Y490 VanDerWaalsContact CE-OH 3.23Å; K488-Y490 WeakPolarHBondContact CE-OH 3.14Å; Y490-Y514 CarbonylContact O-C 3.58Å; Y490-Y514 VanDerWaalsContact O-CA 3.29Å; Y490-Y514 WeakPolarHBondContact O-CA 3.42Å; Y490-Y514 WeakPolarHBondContact O-CB 3.43Å; Y490-F515 HydrophobicContact CD2-CD2 4.07Å; Y490-F515 AromaticContact CD2-CE2 3.43Å; Y490-F515 HydrophobicContact CD2-CE2 3.43Å; Y490-F515 VanDerWaalsContact CD2-CE2 3.43Å; Y490-F515 AromaticContact CD2-CZ 3.95Å; Y490-F515 HydrophobicContact CD2-CZ 3.95Å; Y490-F515 HydrophobicContact CE2-CE2 4.21Å; Y490-F515 AromaticContact CG-CE2 3.98Å; Y490-F515 HydrophobicContact CG-CE2 3.98Å; Y490-F515 HydrophobicContact CG-CZ 4.02Å; Y490-F515 PolarHBondContact N-O 2.85Å; Y490-F515 PolarHBondContact O-N 2.84Å; Y490-L538 HydrophobicContact CD1-CB 4.42Å; Y490-L538 HydrophobicContact CD1-CD1 4.09Å; Y490-L538 HydrophobicContact CG-CD1 4.29Å; Y490-F539 CarbonylContact C-O 3.52Å; Y490-F539 WeakPolarHBondContact CA-O 3.46Å
491	F	95.4	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.3	171.2	-55.3	-88.5	0	0	0	109.2	L446 M450 F453 L468 M489 Q493 Y514 L538 F539 L541	L446-F491 HydrophobicContact CD1-CB 4.11Å; L446-F491 HydrophobicContact CD2-CB 3.67Å; L446-F491 HydrophobicContact CD2-CG 4.25Å; M450-F491 HydrophobicContact CE-CD1 4.1Å; M450-F491 HydrophobicContact CE-CE1 3.68Å; M450-F491 HydrophobicContact SD-CD1 3.54Å; M450-F491 VanDerWaalsContact SD-CD1 3.54Å; M450-F491 HydrophobicContact SD-CE1 3.79Å; F453-F491 HydrophobicContact CE2-CD1 4.39Å; F453-F491 HydrophobicContact CE2-CE1 4.29Å; F453-F491 HydrophobicContact CZ-CE1 4.01Å; F453-F491 HydrophobicContact CZ-CZ 4.24Å; L468-F491 HydrophobicContact CD2-CD2 3.73Å; L468-F491 HydrophobicContact CD2-CE2 3.65Å; M489-F491 HydrophobicContact CE-CD1 4.46Å; M489-F491 HydrophobicContact CE-CE1 3.66Å; M489-F491 HydrophobicContact CE-CE2 4.04Å; M489-F491 HydrophobicContact CE-CZ 3.42Å; M489-F491 VanDerWaalsContact CE-CZ 3.42Å; M489-F491 HydrophobicContact CG-CE2 4.4Å; M489-F491 HydrophobicContact SD-CE2 4.44Å; M489-F491 HydrophobicContact SD-CZ 4.05Å; F491-Q493 PolarHBondContact O-N 3.31Å; F491-Y514 VanDerWaalsContact CD1-CB 3.48Å; F491-Y514 HydrophobicContact CD1-CG 4.26Å; F491-Y514 HydrophobicContact CE1-CG 4.28Å; F491-L538 VanDerWaalsContact O-CA 3.3Å; F491-L538 WeakPolarHBondContact O-CA 3.31Å; F491-F539 HydrophobicContact CB-CB 4.42Å; F491-F539 PolarHBondContact N-O 3.2Å; F491-F539 PolarHBondContact O-N 2.85Å; F491-L541 HydrophobicContact CE2-CB 4.05Å; F491-L541 HydrophobicContact CE2-CD2 4.16Å; F491-L541 HydrophobicContact CZ-CD2 4.42Å
492	I	95.3	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	104.9	-178	-53	176.8	0	0	0	109.3	G495 V497 L509 G512 S513 F515 L538	I492-G495 WeakPolarHBondContact CG2-O 3.5Å; I492-V497 HydrophobicContact CD1-CG2 3.67Å; I492-L509 HydrophobicContact CD1-CB 3.76Å; I492-G512 PolarHBondContact O-N 3.3Å; I492-S513 WeakPolarHBondContact CB-O 3.25Å; I492-S513 WeakPolarHBondContact CG1-O 3.23Å; I492-S513 PolarHBondContact N-O 2.9Å; I492-F515 HydrophobicContact CD1-CD1 4.09Å; I492-F515 HydrophobicContact CD1-CE1 4Å; I492-F515 HydrophobicContact CG1-CD1 4.09Å; I492-F515 HydrophobicContact CG1-CE1 3.79Å; I492-L538 HydrophobicContact CB-CD2 4.12Å; I492-L538 HydrophobicContact CG1-CD2 3.82Å; I492-L538 HydrophobicContact CG2-CD2 4.13Å
493	Q	93.3	Very high	92	Very high	54 Å²	54	47.5 Å²	47.5	25%	0.252	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-41.4	169.8	-168.7	-160.4	48	0	0	110.4	F491 R537 F539	F491-Q493 PolarHBondContact O-N 3.31Å; Q493-R537 WeakPolarHBondContact CB-O 3.32Å; Q493-R537 PolarHBondContact N-O 3.49Å; Q493-F539 HydrophobicContact CB-CD2 4.02Å; Q493-F539 HydrophobicContact CB-CE2 3.9Å; Q493-F539 HydrophobicContact CG-CD2 4.45Å; Q493-F539 HydrophobicContact CG-CE2 3.85Å
494	H	94.2	Very high	90.6	Very high	102 Å²	102	53 Å²	53	47%	0.472	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	139.2	175.7	-171.4	52.7	0	0	0	112.6	D511 C536 R537	H494-D511 WeakPolarHBondContact CA-OD1 3.33Å; H494-D511 IonicContact CE1-OD2 2.82Å; H494-D511 IonicContact CG-OD2 3.73Å; H494-D511 IonicContact ND1-OD1 3.46Å; H494-D511 IonicContact ND1-OD2 3.82Å; H494-D511 PolarHBondContact ND1-OD2 3.34Å; H494-C536 CarbonylContact O-C 3.59Å; H494-C536 WeakPolarHBondContact O-CA 3.48Å; H494-R537 HydrophobicContact CB-CB 4.19Å; H494-R537 PolarHBondContact N-O 3.48Å; H494-R537 VanDerWaalsContact N-O 3.07Å; H494-R537 PolarHBondContact O-N 3.4Å
495	G	94.8	Very high	89.4	Confident	3 Å²	3	55.3 Å²	55.3	3%	0.031	27%	0.267	C	S	.	.			trans	118.7	175.4	171.1	0	0	0	0	0	113.9	I492 T510 D511 T534	I492-G495 WeakPolarHBondContact CG2-O 3.5Å; G495-T510 WeakPolarHBondContact O-CA 3.41Å; G495-D511 PolarHBondContact N-OD1 3.06Å; G495-T534 WeakPolarHBondContact CA-OG1 3.43Å
496	V	96.1	Very high	88.9	Confident	38 Å²	38	55 Å²	55	23%	0.23	26%	0.259	C	S	.	.			trans	-114.2	129.7	-178	-168.4	0	0	0	0	110.3	K508 L509 T510 D533 T534 C536	V496-K508 HydrophobicContact CG1-CB 4.35Å; V496-K508 HydrophobicContact CG1-CD 4.27Å; V496-L509 WeakPolarHBondContact CA-O 3.47Å; V496-T510 HydrophobicContact CG1-CG2 4.35Å; V496-T510 HydrophobicContact CG2-CG2 4.24Å; V496-D533 HydrophobicContact CB-CB 4.4Å; V496-D533 HydrophobicContact CG1-CB 4.49Å; V496-D533 PolarHBondContact O-N 3.18Å; V496-T534 HydrophobicContact CB-CG2 4.17Å; V496-T534 HydrophobicContact CG2-CG2 4.07Å; V496-T534 PolarHBondContact N-OG1 3.46Å; V496-T534 PolarHBondContact O-N 3.29Å; V496-C536 PolarHBondContact O-SG 2.82Å; V496-C536 VanDerWaalsContact O-SG 3.34Å
497	V	96.9	Very high	88.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.5	172.3	-53.9	0	0	0	0	111	I479 I492 K508 L509 F515 V530 R531 C536	I479-V497 HydrophobicContact CD1-CB 4.38Å; I479-V497 HydrophobicContact CD1-CG1 3.57Å; I492-V497 HydrophobicContact CD1-CG2 3.67Å; V497-K508 WeakPolarHBondContact O-CA 3.03Å; V497-L509 HydrophobicContact CG2-CB 3.81Å; V497-L509 HydrophobicContact CG2-CD1 4.41Å; V497-L509 PolarHBondContact N-O 3.26Å; V497-L509 PolarHBondContact O-N 3.47Å; V497-F515 HydrophobicContact CG1-CE1 4.41Å; V497-F515 HydrophobicContact CG2-CD1 4.18Å; V497-F515 HydrophobicContact CG2-CE1 3.9Å; V497-V530 HydrophobicContact CB-CG1 3.8Å; V497-V530 HydrophobicContact CG2-CG1 3.77Å; V497-R531 CarbonylContact C-O 3.59Å; V497-R531 VanDerWaalsContact CA-O 3.27Å; V497-R531 WeakPolarHBondContact CA-O 3.28Å; V497-R531 WeakPolarHBondContact CB-O 3.1Å; V497-C536 HydrophobicContact CG1-CB 4.48Å
498	S	94.8	Very high	88.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.2	172.2	-96.5	0	0	0	0	111	E506 K508 V530 R531 D533	S498-E506 WeakPolarHBondContact CB-OE1 3.21Å; S498-E506 VanDerWaalsContact OG-CG 3.29Å; S498-E506 WeakPolarHBondContact OG-CG 3.41Å; S498-E506 PolarHBondContact OG-OE1 3.47Å; S498-K508 PolarHBondContact OG-NZ 3.04Å; S498-V530 WeakPolarHBondContact O-CA 3.38Å; S498-R531 PolarHBondContact N-O 3.01Å; S498-R531 PolarHBondContact O-N 2.89Å; S498-D533 PolarHBondContact OG-OD2 2.88Å
499	V	93.9	Very high	88.6	Confident	15 Å²	15	47.6 Å²	47.6	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.2	167.9	-174.8	0	0	0	0	108.1	E506 M507 L509 A528 S529 V530	V499-E506 WeakPolarHBondContact O-CA 3.35Å; V499-M507 PolarHBondContact N-O 3.04Å; V499-M507 PolarHBondContact O-N 2.78Å; V499-L509 HydrophobicContact CG2-CD1 3.69Å; V499-L509 HydrophobicContact CG2-CG 4.03Å; V499-A528 HydrophobicContact CG1-CB 3.78Å; V499-S529 WeakPolarHBondContact CA-O 3.33Å; V499-V530 HydrophobicContact CG2-CG2 4.24Å
500	I	91.3	Very high	88.5	Confident	35 Å²	35	49.6 Å²	49.6	18%	0.179	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.5	-174.5	-55.5	172.3	0	0	0	109	Y478 E506 S529 R531	Y478-I500 HydrophobicContact CE1-CD1 4.48Å; I500-E506 HydrophobicContact CG1-CG 4.49Å; I500-S529 PolarHBondContact N-O 3.11Å; I500-S529 PolarHBondContact O-N 3.48Å; I500-R531 HydrophobicContact CD1-CB 3.98Å
501	T	86.4	Confident	88.3	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.031	25%	0.254	C	S	.	.			trans	-115.9	155.1	-179.5	64.7	0	0	0	0	111.2	F503 N504 K505 A528 I571	T501-F503 PolarHBondContact O-N 2.8Å; T501-N504 PolarHBondContact O-N 3.46Å; T501-K505 PolarHBondContact OG1-O 2.79Å; T501-A528 HydrophobicContact CG2-CB 4.06Å; T501-I571 HydrophobicContact CG2-CB 4.21Å; T501-I571 HydrophobicContact CG2-CG2 4.11Å
502	K	78.3	Confident	88	Confident	166 Å²	166	52.5 Å²	52.5	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.8	177.4	-66.3	-171.2	179.2	-174.8	0	115.4	E482 N504	E482-K502 VanDerWaalsContact OE1-CE 3.26Å; E482-K502 WeakPolarHBondContact OE1-CE 3.47Å; K502-N504 VanDerWaalsContact C-N 3.28Å
503	F	71.4	Confident	87.9	Confident	147 Å²	147	52.5 Å²	52.5	65%	0.645	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	15	178.1	-56.2	-61.8	0	0	0	112.9	T501 K505	T501-F503 PolarHBondContact O-N 2.8Å; F503-K505 PolarHBondContact O-N 3.35Å
504	N	62.9	Low	87.9	Confident	148 Å²	148	50.2 Å²	50.2	79%	0.791	24%	0.244	S	C	*	.			trans	56.3	10.5	-177.3	-104.9	17.4	0	0	0	116.1	T501 K502 E506	T501-N504 PolarHBondContact O-N 3.46Å; K502-N504 VanDerWaalsContact C-N 3.28Å; N504-E506 PolarHBondContact O-N 2.76Å; N504-E506 VanDerWaalsContact O-N 3.1Å
505	K	68.9	Low	88	Confident	108 Å²	108	45.7 Å²	45.7	47%	0.47	22%	0.223	S	C	.	.			trans	-73.3	99.9	165.9	-171.4	178.2	179.4	-177.2	0	108.2	T501 F503 M507 R570	T501-K505 PolarHBondContact OG1-O 2.79Å; F503-K505 PolarHBondContact O-N 3.35Å; K505-M507 HydrophobicContact CD-SD 4.5Å; K505-M507 HydrophobicContact CG-CG 4.22Å; K505-R570 PolarHBondContact NZ-O 2.96Å
506	E	82.1	Confident	87.9	Confident	91 Å²	91	46.2 Å²	46.2	43%	0.425	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.7	168.1	-170.4	172.8	-157.9	0	0	108.5	S498 V499 I500 N504 K508 R531	S498-E506 WeakPolarHBondContact CB-OE1 3.21Å; S498-E506 VanDerWaalsContact OG-CG 3.29Å; S498-E506 WeakPolarHBondContact OG-CG 3.41Å; S498-E506 PolarHBondContact OG-OE1 3.47Å; V499-E506 WeakPolarHBondContact O-CA 3.35Å; I500-E506 HydrophobicContact CG1-CG 4.49Å; N504-E506 PolarHBondContact O-N 2.76Å; N504-E506 VanDerWaalsContact O-N 3.1Å; E506-K508 IonicContact OE1-NZ 3.75Å; E506-R531 IonicContact OE1-CZ 3.03Å; E506-R531 IonicContact OE1-NH2 3.76Å; E506-R531 PolarHBondContact OE1-NH2 3.05Å
507	M	87.8	Confident	87.8	Confident	32 Å²	32	44.6 Å²	44.6	16%	0.158	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.7	175.1	-56.8	-175.2	-52.6	0	0	108.8	V499 K505 I571	V499-M507 PolarHBondContact N-O 3.04Å; V499-M507 PolarHBondContact O-N 2.78Å; K505-M507 HydrophobicContact CD-SD 4.5Å; K505-M507 HydrophobicContact CG-CG 4.22Å; M507-I571 HydrophobicContact CE-CG2 3.47Å; M507-I571 VanDerWaalsContact CE-CG2 3.47Å; M507-I571 HydrophobicContact SD-CG2 4.44Å
508	K	91.6	Very high	87.5	Confident	33 Å²	33	45.2 Å²	45.2	14%	0.143	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.5	-177.7	-65.8	-173.2	-170.8	-58.7	0	111.7	V496 V497 S498 E506 D533 V613	V496-K508 HydrophobicContact CG1-CB 4.35Å; V496-K508 HydrophobicContact CG1-CD 4.27Å; V497-K508 WeakPolarHBondContact O-CA 3.03Å; S498-K508 PolarHBondContact OG-NZ 3.04Å; E506-K508 IonicContact OE1-NZ 3.75Å; K508-D533 IonicContact NZ-OD2 3.56Å; K508-D533 PolarHBondContact NZ-OD2 3.31Å; K508-V613 HydrophobicContact CB-CB 4.43Å; K508-V613 HydrophobicContact CB-CG1 3.7Å; K508-V613 HydrophobicContact CD-CG1 4.43Å
509	L	93.3	Very high	87.3	Confident	12 Å²	12	45.5 Å²	45.5	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.5	173	-58.2	176.8	0	0	0	109.1	I492 V496 V497 V499 F515 V610	I492-L509 HydrophobicContact CD1-CB 3.76Å; V496-L509 WeakPolarHBondContact CA-O 3.47Å; V497-L509 HydrophobicContact CG2-CB 3.81Å; V497-L509 HydrophobicContact CG2-CD1 4.41Å; V497-L509 PolarHBondContact N-O 3.26Å; V497-L509 PolarHBondContact O-N 3.47Å; V499-L509 HydrophobicContact CG2-CD1 3.69Å; V499-L509 HydrophobicContact CG2-CG 4.03Å; L509-F515 HydrophobicContact CD1-CB 3.92Å; L509-F515 HydrophobicContact CD1-CD1 4.23Å; L509-F515 HydrophobicContact CD1-CG 4.41Å; L509-V610 HydrophobicContact CD2-CG2 3.77Å
510	T	93.4	Very high	87.2	Confident	41 Å²	41	44.8 Å²	44.8	25%	0.252	22%	0.219	S	C	.	.			trans	-129.9	177.9	-176.9	59.3	0	0	0	0	111.6	G495 V496 G512 S513 V613	G495-T510 WeakPolarHBondContact O-CA 3.41Å; V496-T510 HydrophobicContact CG1-CG2 4.35Å; V496-T510 HydrophobicContact CG2-CG2 4.24Å; T510-G512 PolarHBondContact O-N 3.18Å; T510-S513 WeakPolarHBondContact O-CB 3.47Å; T510-S513 PolarHBondContact O-N 3.46Å; T510-S513 PolarHBondContact O-OG 3.17Å; T510-V613 HydrophobicContact CG2-CG1 4.21Å; T510-V613 HydrophobicContact CG2-CG2 3.76Å
511	D	92.3	Very high	87.1	Confident	71 Å²	71	44.3 Å²	44.3	38%	0.38	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-27.9	127.2	166.6	-57	32.2	0	0	0	112.8	H494 G495 S513	H494-D511 WeakPolarHBondContact CA-OD1 3.33Å; H494-D511 IonicContact CE1-OD2 2.82Å; H494-D511 IonicContact CG-OD2 3.73Å; H494-D511 IonicContact ND1-OD1 3.46Å; H494-D511 IonicContact ND1-OD2 3.82Å; H494-D511 PolarHBondContact ND1-OD2 3.34Å; G495-D511 PolarHBondContact N-OD1 3.06Å; D511-S513 VanDerWaalsContact C-N 3.33Å; D511-S513 PolarHBondContact O-N 3.28Å
512	G	89.4	Confident	87	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-18.4	-177.5	0	0	0	0	0	115.3	T449 I492 T510	T449-G512 WeakPolarHBondContact OG1-CA 3.34Å; I492-G512 PolarHBondContact O-N 3.3Å; T510-G512 PolarHBondContact O-N 3.18Å
513	S	92.4	Very high	87.1	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	23%	0.229	C	C	.	.			trans	-80.6	159.1	173.1	-59	0	0	0	0	112.4	I492 T510 D511	I492-S513 WeakPolarHBondContact CB-O 3.25Å; I492-S513 WeakPolarHBondContact CG1-O 3.23Å; I492-S513 PolarHBondContact N-O 2.9Å; T510-S513 WeakPolarHBondContact O-CB 3.47Å; T510-S513 PolarHBondContact O-N 3.46Å; T510-S513 PolarHBondContact O-OG 3.17Å; D511-S513 VanDerWaalsContact C-N 3.33Å; D511-S513 PolarHBondContact O-N 3.28Å
514	Y	94.1	Very high	87.8	Confident	5 Å²	5	40.9 Å²	40.9	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.2	174.9	70.4	-92.4	0	0	0	111.6	M450 L452 M489 Y490 F491 E517 F560 V563 R567	M450-Y514 HydrophobicContact CE-CD1 4.23Å; M450-Y514 HydrophobicContact CG-CD1 4.27Å; M450-Y514 HydrophobicContact SD-CD1 3.86Å; L452-Y514 HydrophobicContact CD2-CE1 4.5Å; M489-Y514 HydrophobicContact CE-CD2 3.64Å; M489-Y514 HydrophobicContact CE-CE2 4.32Å; M489-Y514 HydrophobicContact CE-CG 4.3Å; Y490-Y514 CarbonylContact O-C 3.58Å; Y490-Y514 VanDerWaalsContact O-CA 3.29Å; Y490-Y514 WeakPolarHBondContact O-CA 3.42Å; Y490-Y514 WeakPolarHBondContact O-CB 3.43Å; F491-Y514 VanDerWaalsContact CD1-CB 3.48Å; F491-Y514 HydrophobicContact CD1-CG 4.26Å; F491-Y514 HydrophobicContact CE1-CG 4.28Å; Y514-E517 HydrophobicContact CE2-CB 4.26Å; Y514-E517 HydrophobicContact CE2-CG 3.92Å; Y514-F560 HydrophobicContact CD2-CE1 4.29Å; Y514-F560 AromaticContact CE2-CD1 3.94Å; Y514-F560 HydrophobicContact CE2-CD1 3.94Å; Y514-F560 AromaticContact CE2-CE1 3.75Å; Y514-F560 HydrophobicContact CE2-CE1 3.75Å; Y514-F560 AromaticContact CZ-CE1 3.94Å; Y514-V563 WeakPolarHBondContact OH-CG1 3.43Å; Y514-R567 PolarHBondContact O-NH1 3.4Å; Y514-R567 PolarHBondContact O-NH2 3.49Å
515	F	95.2	Very high	89.1	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.6	-177.8	64	-91.6	0	0	0	114.5	I479 I480 Y490 I492 V497 L509 E517 V530 L538	I479-F515 HydrophobicContact CB-CE2 4.48Å; I479-F515 HydrophobicContact CD1-CZ 4.16Å; I479-F515 HydrophobicContact CG2-CE2 3.9Å; I479-F515 HydrophobicContact CG2-CZ 3.93Å; I480-F515 HydrophobicContact CD1-CD2 3.62Å; I480-F515 HydrophobicContact CD1-CE2 3.79Å; I480-F515 HydrophobicContact CG1-CD2 4.48Å; I480-F515 HydrophobicContact CG1-CE2 4.19Å; Y490-F515 HydrophobicContact CD2-CD2 4.07Å; Y490-F515 AromaticContact CD2-CE2 3.43Å; Y490-F515 HydrophobicContact CD2-CE2 3.43Å; Y490-F515 VanDerWaalsContact CD2-CE2 3.43Å; Y490-F515 AromaticContact CD2-CZ 3.95Å; Y490-F515 HydrophobicContact CD2-CZ 3.95Å; Y490-F515 HydrophobicContact CE2-CE2 4.21Å; Y490-F515 AromaticContact CG-CE2 3.98Å; Y490-F515 HydrophobicContact CG-CE2 3.98Å; Y490-F515 HydrophobicContact CG-CZ 4.02Å; Y490-F515 PolarHBondContact N-O 2.85Å; Y490-F515 PolarHBondContact O-N 2.84Å; I492-F515 HydrophobicContact CD1-CD1 4.09Å; I492-F515 HydrophobicContact CD1-CE1 4Å; I492-F515 HydrophobicContact CG1-CD1 4.09Å; I492-F515 HydrophobicContact CG1-CE1 3.79Å; V497-F515 HydrophobicContact CG1-CE1 4.41Å; V497-F515 HydrophobicContact CG2-CD1 4.18Å; V497-F515 HydrophobicContact CG2-CE1 3.9Å; L509-F515 HydrophobicContact CD1-CB 3.92Å; L509-F515 HydrophobicContact CD1-CD1 4.23Å; L509-F515 HydrophobicContact CD1-CG 4.41Å; F515-E517 VanDerWaalsContact C-OE2 3.24Å; F515-E517 VanDerWaalsContact CA-OE2 3.29Å; F515-E517 WeakPolarHBondContact CA-OE2 3.33Å; F515-V530 HydrophobicContact CD2-CB 4.27Å; F515-V530 HydrophobicContact CD2-CG1 4.07Å; F515-V530 HydrophobicContact CD2-CG2 3.9Å; F515-V530 HydrophobicContact CE1-CG1 4.48Å; F515-V530 HydrophobicContact CE2-CB 4.08Å; F515-V530 HydrophobicContact CE2-CG1 3.78Å; F515-V530 HydrophobicContact CE2-CG2 4.22Å; F515-V530 HydrophobicContact CZ-CG1 4.01Å; F515-L538 HydrophobicContact CE1-CD1 4.41Å; F515-L538 HydrophobicContact CE1-CD2 4.45Å; F515-L538 HydrophobicContact CZ-CD1 3.92Å
516	G	93.8	Very high	90.3	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	19%	0.185	C	C	.	.			trans	98.3	-0.5	175	0	0	0	0	0	114.9	I518 C519 R526	G516-I518 VanDerWaalsContact C-N 3.31Å; G516-I518 PolarHBondContact O-N 2.9Å; G516-C519 PolarHBondContact O-SG 3.2Å; G516-R526 PolarHBondContact O-NH1 3.2Å
517	E	92.7	Very high	90.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-38.3	178.2	70.5	-69.9	171.6	0	0	113.7	M489 Y514 F515 C519 L520 L521 F560 A564 R567	M489-E517 HydrophobicContact CE-CB 4.15Å; M489-E517 HydrophobicContact SD-CB 4.32Å; Y514-E517 HydrophobicContact CE2-CB 4.26Å; Y514-E517 HydrophobicContact CE2-CG 3.92Å; F515-E517 VanDerWaalsContact C-OE2 3.24Å; F515-E517 VanDerWaalsContact CA-OE2 3.29Å; F515-E517 WeakPolarHBondContact CA-OE2 3.33Å; E517-C519 VanDerWaalsContact C-N 3.26Å; E517-C519 PolarHBondContact O-N 3.21Å; E517-C519 VanDerWaalsContact O-N 3.11Å; E517-L520 WeakPolarHBondContact O-CB 3.43Å; E517-L520 PolarHBondContact O-N 2.97Å; E517-L521 PolarHBondContact O-N 3.09Å; E517-F560 HydrophobicContact CB-CD1 4.47Å; E517-A564 HydrophobicContact CG-CB 4.44Å; E517-R567 VanDerWaalsContact OE1-CD 3.22Å; E517-R567 WeakPolarHBondContact OE1-CD 3.45Å; E517-R567 IonicContact OE1-CZ 3.72Å; E517-R567 IonicContact OE1-NE 2.74Å; E517-R567 IonicContact OE1-NH1 2.81Å; E517-R567 PolarHBondContact OE1-NH1 3.07Å; E517-R567 IonicContact OE2-NH1 3.66Å; E517-R567 PolarHBondContact OE2-NH1 3.46Å
518	I	91.8	Very high	90.9	Very high	14 Å²	14	34 Å²	34	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-37.7	-168.6	-54.8	170.4	0	0	0	111.9	G516 T522 T527 A564 R567 L568	G516-I518 VanDerWaalsContact C-N 3.31Å; G516-I518 PolarHBondContact O-N 2.9Å; I518-T522 HydrophobicContact CG2-CG2 4.38Å; I518-T522 WeakPolarHBondContact O-CB 3.48Å; I518-T522 VanDerWaalsContact O-CG2 3.28Å; I518-T522 WeakPolarHBondContact O-CG2 3.4Å; I518-T522 PolarHBondContact O-N 3.34Å; I518-T522 PolarHBondContact O-OG1 3.42Å; I518-T527 HydrophobicContact CG2-CG2 4.11Å; I518-A564 HydrophobicContact CG1-CB 3.96Å; I518-R567 HydrophobicContact CD1-CB 4.48Å; I518-L568 HydrophobicContact CD1-CG 4.32Å; I518-L568 HydrophobicContact CG2-CD1 4.08Å; I518-L568 HydrophobicContact CG2-CD2 4.3Å; I518-L568 HydrophobicContact CG2-CG 4.18Å
519	C	91.1	Very high	91.1	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.034	17%	0.173	C	C	.	.	H	α-helix	trans	-80.9	-22.7	-179.2	67.1	0	0	0	0	114	G516 E517 T522 K523 G524 R526	G516-C519 PolarHBondContact O-SG 3.2Å; E517-C519 VanDerWaalsContact C-N 3.26Å; E517-C519 PolarHBondContact O-N 3.21Å; E517-C519 VanDerWaalsContact O-N 3.11Å; C519-T522 WeakPolarHBondContact CA-OG1 3.47Å; C519-K523 CarbonylContact O-C 3.46Å; C519-K523 VanDerWaalsContact O-CA 3.27Å; C519-K523 WeakPolarHBondContact O-CA 3.37Å; C519-K523 PolarHBondContact O-N 3.42Å; C519-K523 VanDerWaalsContact O-N 3.08Å; C519-G524 WeakPolarHBondContact CB-O 3.4Å; C519-G524 PolarHBondContact O-N 3.07Å; C519-R526 PolarHBondContact SG-NH1 3.42Å
520	L	90.9	Very high	91.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-70.3	-46	173.7	-82.2	56.7	0	0	0	109	M489 E517 V543 F546	M489-L520 HydrophobicContact CB-CD2 3.99Å; M489-L520 HydrophobicContact CG-CD2 3.92Å; M489-L520 HydrophobicContact SD-CD2 4.36Å; E517-L520 WeakPolarHBondContact O-CB 3.43Å; E517-L520 PolarHBondContact O-N 2.97Å; L520-V543 HydrophobicContact CB-CG2 4.39Å; L520-V543 HydrophobicContact CD2-CB 4.4Å; L520-V543 HydrophobicContact CG-CB 3.95Å; L520-V543 HydrophobicContact CG-CG2 3.95Å; L520-F546 HydrophobicContact CB-CD1 3.75Å; L520-F546 HydrophobicContact CB-CE1 3.7Å; L520-F546 HydrophobicContact CD2-CB 3.94Å; L520-F546 HydrophobicContact CD2-CD1 3.69Å; L520-F546 HydrophobicContact CD2-CD2 4.41Å; L520-F546 HydrophobicContact CD2-CE1 4.2Å; L520-F546 HydrophobicContact CD2-CG 3.78Å; L520-F546 HydrophobicContact CG-CD1 4.25Å
521	L	88.4	Confident	91.4	Very high	25 Å²	25	33.6 Å²	33.6	13%	0.131	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-47	177.5	-61	167	0	0	0	112.7	E517 K523 F546 R557 F560 E561 A564	E517-L521 PolarHBondContact O-N 3.09Å; L521-K523 VanDerWaalsContact C-N 3.31Å; L521-K523 PolarHBondContact O-N 2.88Å; L521-F546 HydrophobicContact CD2-CE1 3.76Å; L521-F546 HydrophobicContact CD2-CZ 3.87Å; L521-F546 HydrophobicContact CG-CE1 4.15Å; L521-F546 HydrophobicContact CG-CZ 4.23Å; L521-R557 HydrophobicContact CD2-CG 4.46Å; L521-F560 HydrophobicContact CD1-CB 4.14Å; L521-F560 HydrophobicContact CD2-CB 4.35Å; L521-E561 HydrophobicContact CD1-CG 4.16Å; L521-E561 HydrophobicContact CD2-CG 3.89Å; L521-E561 HydrophobicContact CG-CG 4.44Å; L521-A564 HydrophobicContact CD1-CB 3.8Å
522	T	85.1	Confident	91.6	Very high	36 Å²	36	30.2 Å²	30.2	22%	0.221	15%	0.15	C	C	.	.	H	α-helix	trans	-81.7	-7.4	-177.6	56.8	0	0	0	0	114.2	I518 C519 G524 N575 L578	I518-T522 HydrophobicContact CG2-CG2 4.38Å; I518-T522 WeakPolarHBondContact O-CB 3.48Å; I518-T522 VanDerWaalsContact O-CG2 3.28Å; I518-T522 WeakPolarHBondContact O-CG2 3.4Å; I518-T522 PolarHBondContact O-N 3.34Å; I518-T522 PolarHBondContact O-OG1 3.42Å; C519-T522 WeakPolarHBondContact CA-OG1 3.47Å; T522-G524 PolarHBondContact O-N 3.42Å; T522-G524 VanDerWaalsContact O-N 3.09Å; T522-G524 PolarHBondContact OG1-N 3.09Å; T522-N575 VanDerWaalsContact CG2-ND2 3.34Å; T522-N575 WeakPolarHBondContact CG2-ND2 3.44Å; T522-L578 HydrophobicContact CG2-CB 4.32Å; T522-L578 HydrophobicContact CG2-CD1 3.45Å; T522-L578 VanDerWaalsContact CG2-CD1 3.45Å; T522-L578 HydrophobicContact CG2-CG 3.81Å
523	K	81.3	Confident	92	Very high	182 Å²	182	32.3 Å²	32.3	79%	0.791	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	27.2	-165.9	-55.8	-172.3	-179.6	-174.4	0	113.1	C519 L521	C519-K523 CarbonylContact O-C 3.46Å; C519-K523 VanDerWaalsContact O-CA 3.27Å; C519-K523 WeakPolarHBondContact O-CA 3.37Å; C519-K523 PolarHBondContact O-N 3.42Å; C519-K523 VanDerWaalsContact O-N 3.08Å; L521-K523 VanDerWaalsContact C-N 3.31Å; L521-K523 PolarHBondContact O-N 2.88Å
524	G	84.7	Confident	92.2	Very high	27 Å²	27	35 Å²	35	28%	0.278	18%	0.177	S	C	.	.			trans	-103.3	-167	-169.8	0	0	0	0	0	115.1	C519 T522	C519-G524 WeakPolarHBondContact CB-O 3.4Å; C519-G524 PolarHBondContact O-N 3.07Å; T522-G524 PolarHBondContact O-N 3.42Å; T522-G524 VanDerWaalsContact O-N 3.09Å; T522-G524 PolarHBondContact OG1-N 3.09Å
525	R	91.1	Very high	92.3	Very high	168 Å²	168	38 Å²	38	63%	0.634	19%	0.19	S	C	*	.	B	Isolated β-bridge	trans	-86.4	154	173.6	-70.4	173	180	-90	1.3	111.3	G483 T484 V485 T527	G483-R525 VanDerWaalsContact O-CD 3.29Å; G483-R525 WeakPolarHBondContact O-CD 3.37Å; G483-R525 WeakPolarHBondContact O-CG 3.24Å; G483-R525 PolarHBondContact O-NH1 2.9Å; T484-R525 CarbonylContact O-C 3.59Å; T484-R525 VanDerWaalsContact O-CA 3.31Å; T484-R525 WeakPolarHBondContact O-CA 3.25Å; V485-R525 HydrophobicContact CG2-CG 4.47Å; R525-T527 PolarHBondContact O-N 3.23Å
526	R	93.9	Very high	92.4	Very high	20 Å²	20	37.7 Å²	37.7	8%	0.075	19%	0.188	C	C	.	.			trans	-57.7	128.9	176.4	-65.2	-70.4	-158	-167.7	7.8	110.7	I480 R481 G483 T484 K488 G516 C519	I480-R526 HydrophobicContact CG2-CB 3.91Å; I480-R526 HydrophobicContact CG2-CG 3.69Å; R481-R526 WeakPolarHBondContact O-CB 3.3Å; G483-R526 PolarHBondContact N-O 3.1Å; T484-R526 WeakPolarHBondContact O-CG 3.45Å; T484-R526 PolarHBondContact O-N 3.3Å; T484-R526 WeakPolarHBondContact OG1-CG 3.26Å; K488-R526 VanDerWaalsContact O-CZ 3.25Å; K488-R526 PolarHBondContact O-NH1 2.74Å; K488-R526 PolarHBondContact O-NH2 3.29Å; G516-R526 PolarHBondContact O-NH1 3.2Å; C519-R526 PolarHBondContact SG-NH1 3.42Å
527	T	91.2	Very high	92.5	Very high	39 Å²	39	40.9 Å²	40.9	24%	0.239	20%	0.196	C	C	.	.	S	Bend	trans	-87.1	-15.9	-172.1	48.8	0	0	0	0	114.6	I518 R525 L568 K573	I518-T527 HydrophobicContact CG2-CG2 4.11Å; R525-T527 PolarHBondContact O-N 3.23Å; T527-L568 HydrophobicContact CG2-CD2 4.08Å; T527-K573 PolarHBondContact O-NZ 2.96Å
528	A	92.3	Very high	92.7	Very high	9 Å²	9	40.7 Å²	40.7	7%	0.074	20%	0.195	C	C	.	.	S	Bend	trans	-148.3	169.6	175.8	0	0	0	0	0	109.5	I480 E482 V499 T501	I480-A528 WeakPolarHBondContact CG2-O 3.15Å; E482-A528 PolarHBondContact N-O 3.39Å; V499-A528 HydrophobicContact CG1-CB 3.78Å; T501-A528 HydrophobicContact CG2-CB 4.06Å
529	S	94.3	Very high	92.9	Very high	21 Å²	21	40.9 Å²	40.9	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.8	165	-57.7	0	0	0	0	109.7	I480 E482 V499 I500	I480-S529 CarbonylContact O-C 3.03Å; I480-S529 WeakPolarHBondContact O-CA 3.16Å; E482-S529 PolarHBondContact N-OG 2.74Å; V499-S529 WeakPolarHBondContact CA-O 3.33Å; I500-S529 PolarHBondContact N-O 3.11Å; I500-S529 PolarHBondContact O-N 3.48Å
530	V	96.7	Very high	93.2	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.7	173.5	-173.6	0	0	0	0	108.6	Y478 I479 I480 V497 S498 V499 F515	Y478-V530 CarbonylContact C-O 3.59Å; Y478-V530 WeakPolarHBondContact CA-O 3.48Å; I479-V530 HydrophobicContact CD1-CG1 4.42Å; I479-V530 PolarHBondContact N-O 3.31Å; I480-V530 HydrophobicContact CB-CB 3.99Å; I480-V530 HydrophobicContact CB-CG2 4.04Å; I480-V530 HydrophobicContact CD1-CG2 4.19Å; I480-V530 HydrophobicContact CG1-CB 4.46Å; I480-V530 HydrophobicContact CG1-CG2 4.46Å; I480-V530 PolarHBondContact N-O 2.9Å; I480-V530 VanDerWaalsContact N-O 3.14Å; I480-V530 PolarHBondContact O-N 3.22Å; V497-V530 HydrophobicContact CB-CG1 3.8Å; V497-V530 HydrophobicContact CG2-CG1 3.77Å; S498-V530 WeakPolarHBondContact O-CA 3.38Å; V499-V530 HydrophobicContact CG2-CG2 4.24Å; F515-V530 HydrophobicContact CD2-CB 4.27Å; F515-V530 HydrophobicContact CD2-CG1 4.07Å; F515-V530 HydrophobicContact CD2-CG2 3.9Å; F515-V530 HydrophobicContact CE1-CG1 4.48Å; F515-V530 HydrophobicContact CE2-CB 4.08Å; F515-V530 HydrophobicContact CE2-CG1 3.78Å; F515-V530 HydrophobicContact CE2-CG2 4.22Å; F515-V530 HydrophobicContact CZ-CG1 4.01Å
531	R	96.4	Very high	93.4	Very high	49 Å²	49	41.1 Å²	41.1	19%	0.185	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.8	180	-172.2	-166	65.6	-139.5	-13.1	109.3	D477 Y478 V497 S498 I500 E506 D533	D477-R531 CarbonylContact O-C 3.48Å; D477-R531 VanDerWaalsContact O-CA 3.31Å; D477-R531 WeakPolarHBondContact O-CA 3.44Å; Y478-R531 HydrophobicContact CD1-CB 4.48Å; Y478-R531 HydrophobicContact CE1-CB 4.44Å; Y478-R531 HydrophobicContact CE2-CG 4.48Å; V497-R531 CarbonylContact C-O 3.59Å; V497-R531 VanDerWaalsContact CA-O 3.27Å; V497-R531 WeakPolarHBondContact CA-O 3.28Å; V497-R531 WeakPolarHBondContact CB-O 3.1Å; S498-R531 PolarHBondContact N-O 3.01Å; S498-R531 PolarHBondContact O-N 2.89Å; I500-R531 HydrophobicContact CD1-CB 3.98Å; E506-R531 IonicContact OE1-CZ 3.03Å; E506-R531 IonicContact OE1-NH2 3.76Å; E506-R531 PolarHBondContact OE1-NH2 3.05Å; R531-D533 IonicContact CZ-OD1 3.36Å; R531-D533 IonicContact NE-OD1 3.99Å; R531-D533 PolarHBondContact NE-OD1 2.82Å; R531-D533 VanDerWaalsContact NE-OD1 3.11Å; R531-D533 IonicContact NH2-OD1 3.96Å; R531-D533 PolarHBondContact NH2-OD1 3.12Å; R531-D533 IonicContact NH2-OD2 3.21Å
532	A	97.7	Very high	93.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.1	166.7	0	0	0	0	0	110.2	F473 Q474 N476 D477 I479 C536	F473-A532 HydrophobicContact CB-CB 4.43Å; Q474-A532 WeakPolarHBondContact O-CB 3.4Å; N476-A532 VanDerWaalsContact CA-O 3.3Å; N476-A532 WeakPolarHBondContact CA-O 3.37Å; N476-A532 PolarHBondContact N-O 3.39Å; D477-A532 PolarHBondContact O-N 3.48Å; I479-A532 HydrophobicContact CD1-CB 4Å; I479-A532 HydrophobicContact CG1-CB 4.49Å; A532-C536 HydrophobicContact CB-CB 4.48Å
533	D	96.2	Very high	94.3	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.241	20%	0.2	C	C	.	.	S	Bend	trans	-96.2	-36.2	171.9	-78	5.4	0	0	0	111	V496 S498 K508 R531	V496-D533 HydrophobicContact CB-CB 4.4Å; V496-D533 HydrophobicContact CG1-CB 4.49Å; V496-D533 PolarHBondContact O-N 3.18Å; S498-D533 PolarHBondContact OG-OD2 2.88Å; K508-D533 IonicContact NZ-OD2 3.56Å; K508-D533 PolarHBondContact NZ-OD2 3.31Å; R531-D533 IonicContact CZ-OD1 3.36Å; R531-D533 IonicContact NE-OD1 3.99Å; R531-D533 PolarHBondContact NE-OD1 2.82Å; R531-D533 VanDerWaalsContact NE-OD1 3.11Å; R531-D533 IonicContact NH2-OD1 3.96Å; R531-D533 PolarHBondContact NH2-OD1 3.12Å; R531-D533 IonicContact NH2-OD2 3.21Å
534	T	96.6	Very high	94.9	Very high	56 Å²	56	38 Å²	38	34%	0.344	19%	0.191	S	C	.	.	S	Bend	trans	-110.5	178.4	171.6	66.6	0	0	0	0	110.9	G495 V496 C536	G495-T534 WeakPolarHBondContact CA-OG1 3.43Å; V496-T534 HydrophobicContact CB-CG2 4.17Å; V496-T534 HydrophobicContact CG2-CG2 4.07Å; V496-T534 PolarHBondContact N-OG1 3.46Å; V496-T534 PolarHBondContact O-N 3.29Å; T534-C536 PolarHBondContact O-N 3.17Å; T534-C536 PolarHBondContact O-SG 3.23Å
535	Y	97.3	Very high	95.4	Very high	70 Å²	70	39.8 Å²	39.8	28%	0.275	19%	0.192	S	C	.	.			trans	-56.6	126	156.8	-78.4	-85.2	0	0	0	108.8	D410 H414 F473 Q474 P475	D410-Y535 WeakPolarHBondContact CB-OH 3.25Å; H414-Y535 HydrophobicContact CB-CD1 4.06Å; H414-Y535 HydrophobicContact CB-CE1 4.09Å; H414-Y535 AromaticContact CD2-CD1 3.48Å; H414-Y535 VanDerWaalsContact CD2-CD1 3.48Å; H414-Y535 WeakPolarHBondContact CD2-CD1 3.44Å; H414-Y535 AromaticContact CD2-CD2 3.97Å; H414-Y535 AromaticContact CD2-CE1 3.67Å; H414-Y535 AromaticContact CD2-CG 3.64Å; H414-Y535 AromaticContact CE1-CE1 3.91Å; H414-Y535 AromaticContact CE1-CE2 3.95Å; H414-Y535 AromaticContact CE1-CZ 3.65Å; H414-Y535 AromaticContact CG-CD1 3.67Å; H414-Y535 AromaticContact CG-CE1 3.53Å; H414-Y535 AromaticContact ND1-CE1 3.68Å; H414-Y535 AromaticContact ND1-CZ 3.84Å; H414-Y535 AromaticContact NE2-CD2 3.77Å; H414-Y535 AromaticContact NE2-CE1 3.92Å; H414-Y535 AromaticContact NE2-CE2 3.68Å; H414-Y535 AromaticContact NE2-CG 3.95Å; H414-Y535 AromaticContact NE2-CZ 3.76Å; F473-Y535 WeakPolarHBondContact O-CA 3.47Å; Q474-Y535 HydrophobicContact CB-CD1 4.46Å; Q474-Y535 HydrophobicContact CB-CE1 4.05Å; Q474-Y535 HydrophobicContact CG-CD1 4.35Å; Q474-Y535 HydrophobicContact CG-CE1 3.79Å; P475-Y535 HydrophobicContact CG-CD2 3.88Å; P475-Y535 HydrophobicContact CG-CE2 3.94Å; P475-Y535 HydrophobicContact CG-CG 4.41Å
536	C	97.3	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.9	-175.4	-67.1	0	0	0	0	109.9	V472 F473 H494 V496 V497 A532 T534 L538	V472-C536 WeakPolarHBondContact CA-O 3.21Å; F473-C536 HydrophobicContact CB-CB 4.4Å; F473-C536 PolarHBondContact N-O 3.2Å; F473-C536 PolarHBondContact O-N 3.33Å; H494-C536 CarbonylContact O-C 3.59Å; H494-C536 WeakPolarHBondContact O-CA 3.48Å; V496-C536 PolarHBondContact O-SG 2.82Å; V496-C536 VanDerWaalsContact O-SG 3.34Å; V497-C536 HydrophobicContact CG1-CB 4.48Å; A532-C536 HydrophobicContact CB-CB 4.48Å; T534-C536 PolarHBondContact O-N 3.17Å; T534-C536 PolarHBondContact O-SG 3.23Å; C536-L538 HydrophobicContact CB-CD2 4.22Å; C536-L538 HydrophobicContact CB-CG 4.27Å
537	R	96.4	Very high	95.5	Very high	81 Å²	81	32.2 Å²	32.2	31%	0.306	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.4	172.1	-61.2	-177.7	-179	-164.3	-1.7	107.6	F470 V472 Q493 H494	F470-R537 HydrophobicContact CE2-CB 3.94Å; F470-R537 HydrophobicContact CE2-CG 4.45Å; F470-R537 HydrophobicContact CZ-CB 4.14Å; F470-R537 HydrophobicContact CZ-CG 4.17Å; V472-R537 HydrophobicContact CG2-CG 4.48Å; Q493-R537 WeakPolarHBondContact CB-O 3.32Å; Q493-R537 PolarHBondContact N-O 3.49Å; H494-R537 HydrophobicContact CB-CB 4.19Å; H494-R537 PolarHBondContact N-O 3.48Å; H494-R537 VanDerWaalsContact N-O 3.07Å; H494-R537 PolarHBondContact O-N 3.4Å
538	L	96.3	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148	-172.2	-54.8	-175.7	0	0	0	110.1	E471 F473 I479 Y490 F491 I492 F515 C536	E471-L538 PolarHBondContact N-O 3.43Å; E471-L538 PolarHBondContact O-N 2.85Å; E471-L538 VanDerWaalsContact O-O 3.1Å; F473-L538 HydrophobicContact CD2-CD1 3.65Å; F473-L538 HydrophobicContact CD2-CG 4.2Å; F473-L538 HydrophobicContact CE2-CD1 3.82Å; I479-L538 HydrophobicContact CD1-CD1 4.02Å; I479-L538 HydrophobicContact CG1-CD1 4.41Å; I479-L538 HydrophobicContact CG2-CD1 4Å; Y490-L538 HydrophobicContact CD1-CB 4.42Å; Y490-L538 HydrophobicContact CD1-CD1 4.09Å; Y490-L538 HydrophobicContact CG-CD1 4.29Å; F491-L538 VanDerWaalsContact O-CA 3.3Å; F491-L538 WeakPolarHBondContact O-CA 3.31Å; I492-L538 HydrophobicContact CB-CD2 4.12Å; I492-L538 HydrophobicContact CG1-CD2 3.82Å; I492-L538 HydrophobicContact CG2-CD2 4.13Å; F515-L538 HydrophobicContact CE1-CD1 4.41Å; F515-L538 HydrophobicContact CE1-CD2 4.45Å; F515-L538 HydrophobicContact CZ-CD1 3.92Å; C536-L538 HydrophobicContact CB-CD2 4.22Å; C536-L538 HydrophobicContact CB-CG 4.27Å
539	F	95.9	Very high	95.7	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.2	160.2	-73	-74.7	0	0	0	109	L446 L468 K469 F470 Y490 F491 Q493	L446-F539 HydrophobicContact CD2-CD2 4.09Å; L468-F539 HydrophobicContact CB-CB 4.1Å; L468-F539 HydrophobicContact CB-CD1 3.97Å; L468-F539 HydrophobicContact CB-CG 4.32Å; L468-F539 HydrophobicContact CD1-CB 3.85Å; L468-F539 HydrophobicContact CD1-CD1 4.37Å; L468-F539 HydrophobicContact CD1-CG 4.04Å; L468-F539 HydrophobicContact CD2-CB 4.22Å; L468-F539 HydrophobicContact CG-CB 4.28Å; K469-F539 CarbonylContact O-C 3.48Å; K469-F539 WeakPolarHBondContact O-CA 3.44Å; F470-F539 HydrophobicContact CB-CD1 4.25Å; F470-F539 HydrophobicContact CB-CE1 3.97Å; F470-F539 HydrophobicContact CD2-CD1 4.44Å; F470-F539 AromaticContact CD2-CE1 3.98Å; F470-F539 HydrophobicContact CD2-CE1 3.98Å; F470-F539 HydrophobicContact CD2-CZ 4.11Å; F470-F539 HydrophobicContact CG-CE1 4.46Å; Y490-F539 CarbonylContact C-O 3.52Å; Y490-F539 WeakPolarHBondContact CA-O 3.46Å; F491-F539 HydrophobicContact CB-CB 4.42Å; F491-F539 PolarHBondContact N-O 3.2Å; F491-F539 PolarHBondContact O-N 2.85Å; Q493-F539 HydrophobicContact CB-CD2 4.02Å; Q493-F539 HydrophobicContact CB-CE2 3.9Å; Q493-F539 HydrophobicContact CG-CD2 4.45Å; Q493-F539 HydrophobicContact CG-CE2 3.85Å
540	S	96.6	Very high	95.6	Very high	11 Å²	11	33.9 Å²	33.9	8%	0.077	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	149.6	173.7	75.4	0	0	0	0	111.5	L468 K469 E471 M489	L468-S540 WeakPolarHBondContact CA-O 3.24Å; K469-S540 PolarHBondContact N-O 3.3Å; K469-S540 PolarHBondContact O-N 2.94Å; E471-S540 WeakPolarHBondContact OE1-CB 3.32Å; E471-S540 PolarHBondContact OE1-OG 3.39Å; M489-S540 WeakPolarHBondContact O-CA 3.38Å
541	L	96.1	Very high	95.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.5	176.9	-179.3	72.3	0	0	0	109.1	M464 K467 L468 K488 M489 F491 H545 F546	M464-L541 HydrophobicContact CE-CD2 4.49Å; M464-L541 HydrophobicContact SD-CD1 4.15Å; M464-L541 HydrophobicContact SD-CD2 3.33Å; M464-L541 WeakPolarHBondContact SD-CD2 3.46Å; M464-L541 HydrophobicContact SD-CG 4.38Å; K467-L541 HydrophobicContact CB-CD1 3.81Å; L468-L541 HydrophobicContact CD2-CB 3.91Å; L468-L541 HydrophobicContact CD2-CD1 4.16Å; K488-L541 CarbonylContact C-O 3.54Å; K488-L541 WeakPolarHBondContact CA-O 3.33Å; K488-L541 WeakPolarHBondContact CB-O 3.23Å; M489-L541 HydrophobicContact CG-CB 4.04Å; M489-L541 HydrophobicContact CG-CD2 4.21Å; M489-L541 PolarHBondContact N-O 2.97Å; M489-L541 PolarHBondContact O-N 3.07Å; M489-L541 HydrophobicContact SD-CD2 4.19Å; F491-L541 HydrophobicContact CE2-CB 4.05Å; F491-L541 HydrophobicContact CE2-CD2 4.16Å; F491-L541 HydrophobicContact CZ-CD2 4.42Å; L541-H545 HydrophobicContact CD1-CB 3.87Å; L541-F546 HydrophobicContact CD2-CB 3.77Å; L541-F546 HydrophobicContact CD2-CD2 3.69Å; L541-F546 HydrophobicContact CD2-CG 4.21Å; L541-F546 HydrophobicContact CG-CB 4.18Å
542	S	96.4	Very high	95.2	Very high	32 Å²	32	43.7 Å²	43.7	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	154.9	178.4	63.4	0	0	0	0	111.9	D544 H545 F546	S542-D544 PolarHBondContact O-N 3.11Å; S542-H545 WeakPolarHBondContact OG-CB 3.27Å; S542-H545 PolarHBondContact OG-N 3.22Å; S542-H545 VanDerWaalsContact OG-N 3.13Å; S542-H545 PolarHBondContact OG-ND1 3.35Å; S542-F546 WeakPolarHBondContact O-CB 3.26Å; S542-F546 PolarHBondContact O-N 3.33Å
543	V	94.9	Very high	94.8	Very high	32 Å²	32	45.9 Å²	45.9	19%	0.194	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-31.1	171.6	60	0	0	0	0	111.8	K487 L520 N547	K487-V543 PolarHBondContact O-N 2.83Å; L520-V543 HydrophobicContact CB-CG2 4.39Å; L520-V543 HydrophobicContact CD2-CB 4.4Å; L520-V543 HydrophobicContact CG-CB 3.95Å; L520-V543 HydrophobicContact CG-CG2 3.95Å; V543-N547 PolarHBondContact O-N 3.42Å; V543-N547 VanDerWaalsContact O-N 3.12Å; V543-N547 PolarHBondContact O-ND2 3.16Å
544	D	95	Very high	94.4	Very high	113 Å²	113	47.1 Å²	47.1	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-74.1	-52.6	-176.4	-43.8	-72.3	0	0	0	110.4	S542 F546 N547 E548	S542-D544 PolarHBondContact O-N 3.11Å; D544-F546 VanDerWaalsContact C-N 3.3Å; D544-F546 PolarHBondContact O-N 3.05Å; D544-N547 PolarHBondContact O-N 3.09Å; D544-N547 VanDerWaalsContact O-N 3.14Å; D544-E548 WeakPolarHBondContact O-CB 3.35Å; D544-E548 PolarHBondContact O-N 2.98Å
545	H	95.4	Very high	93.8	Very high	64 Å²	64	48.4 Å²	48.4	30%	0.296	24%	0.237	S	C	.	.	H	α-helix	trans	-63.6	-33.9	174.8	-59.6	167.5	0	0	0	112.5	K467 L541 S542 N547 E548 V549	K467-H545 HydrophobicContact CB-CB 3.85Å; K467-H545 HydrophobicContact CD-CB 4.14Å; K467-H545 HydrophobicContact CG-CB 4.12Å; K467-H545 PolarHBondContact O-ND1 2.94Å; L541-H545 HydrophobicContact CD1-CB 3.87Å; S542-H545 WeakPolarHBondContact OG-CB 3.27Å; S542-H545 PolarHBondContact OG-N 3.22Å; S542-H545 VanDerWaalsContact OG-N 3.13Å; S542-H545 PolarHBondContact OG-ND1 3.35Å; H545-N547 VanDerWaalsContact C-N 3.33Å; H545-E548 IonicContact CD2-OE2 3.9Å; H545-V549 WeakPolarHBondContact O-CG2 3.25Å; H545-V549 PolarHBondContact O-N 2.99Å; H545-V549 VanDerWaalsContact O-N 3.09Å
546	F	94.1	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-33.8	175.3	178.1	-103.5	0	0	0	112.6	M489 L520 L521 L541 S542 D544 L550 F560	M489-F546 HydrophobicContact SD-CD2 3.59Å; M489-F546 VanDerWaalsContact SD-CD2 3.59Å; M489-F546 HydrophobicContact SD-CE2 3.44Å; M489-F546 WeakPolarHBondContact SD-CE2 3.46Å; M489-F546 HydrophobicContact SD-CG 4.46Å; M489-F546 HydrophobicContact SD-CZ 4.23Å; L520-F546 HydrophobicContact CB-CD1 3.75Å; L520-F546 HydrophobicContact CB-CE1 3.7Å; L520-F546 HydrophobicContact CD2-CB 3.94Å; L520-F546 HydrophobicContact CD2-CD1 3.69Å; L520-F546 HydrophobicContact CD2-CD2 4.41Å; L520-F546 HydrophobicContact CD2-CE1 4.2Å; L520-F546 HydrophobicContact CD2-CG 3.78Å; L520-F546 HydrophobicContact CG-CD1 4.25Å; L521-F546 HydrophobicContact CD2-CE1 3.76Å; L521-F546 HydrophobicContact CD2-CZ 3.87Å; L521-F546 HydrophobicContact CG-CE1 4.15Å; L521-F546 HydrophobicContact CG-CZ 4.23Å; L541-F546 HydrophobicContact CD2-CB 3.77Å; L541-F546 HydrophobicContact CD2-CD2 3.69Å; L541-F546 HydrophobicContact CD2-CG 4.21Å; L541-F546 HydrophobicContact CG-CB 4.18Å; S542-F546 WeakPolarHBondContact O-CB 3.26Å; S542-F546 PolarHBondContact O-N 3.33Å; D544-F546 VanDerWaalsContact C-N 3.3Å; D544-F546 PolarHBondContact O-N 3.05Å; F546-L550 HydrophobicContact CD1-CD1 4.01Å; F546-L550 HydrophobicContact CD2-CD1 3.93Å; F546-L550 HydrophobicContact CD2-CG 4.48Å; F546-L550 HydrophobicContact CE1-CD1 3.58Å; F546-L550 HydrophobicContact CE2-CD1 3.48Å; F546-L550 VanDerWaalsContact CE2-CD1 3.48Å; F546-L550 HydrophobicContact CE2-CG 4.4Å; F546-L550 HydrophobicContact CG-CD1 4.21Å; F546-L550 HydrophobicContact CZ-CD1 3.31Å; F546-L550 WeakPolarHBondContact O-CB 3.46Å; F546-L550 WeakPolarHBondContact O-CG 3.49Å; F546-L550 PolarHBondContact O-N 3.37Å; F546-F560 HydrophobicContact CE2-CD1 4.44Å; F546-F560 AromaticContact CE2-CD2 3.91Å; F546-F560 HydrophobicContact CE2-CD2 3.91Å; F546-F560 HydrophobicContact CE2-CE1 4.31Å; F546-F560 AromaticContact CE2-CE2 3.76Å; F546-F560 HydrophobicContact CE2-CE2 3.76Å; F546-F560 HydrophobicContact CE2-CG 4.25Å; F546-F560 AromaticContact CE2-CZ 3.97Å; F546-F560 HydrophobicContact CE2-CZ 3.97Å; F546-F560 HydrophobicContact CZ-CD2 4.18Å; F546-F560 HydrophobicContact CZ-CE2 4.48Å; F546-F560 HydrophobicContact CZ-CG 4.24Å
547	N	92.8	Very high	93	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-77.7	-41.5	174.9	-74.5	-52.7	0	0	0	111.7	V543 D544 H545 V549 L550 E551 R557	V543-N547 PolarHBondContact O-N 3.42Å; V543-N547 VanDerWaalsContact O-N 3.12Å; V543-N547 PolarHBondContact O-ND2 3.16Å; D544-N547 PolarHBondContact O-N 3.09Å; D544-N547 VanDerWaalsContact O-N 3.14Å; H545-N547 VanDerWaalsContact C-N 3.33Å; N547-V549 PolarHBondContact O-N 3.21Å; N547-L550 CarbonylContact O-C 3.58Å; N547-L550 PolarHBondContact O-N 3.2Å; N547-E551 WeakPolarHBondContact O-CB 3.5Å; N547-E551 WeakPolarHBondContact O-CG 3.36Å; N547-E551 PolarHBondContact O-N 2.9Å; N547-R557 PolarHBondContact OD1-NH2 3.24Å
548	E	94.2	Very high	92.5	Very high	98 Å²	98	47.1 Å²	47.1	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-48.1	-59.2	172.9	-175.9	-173.7	-176.1	0	0	111.5	K467 D544 H545 L550 E551 E552	K467-E548 IonicContact NZ-OE1 3.89Å; K467-E548 PolarHBondContact NZ-OE1 2.91Å; K467-E548 IonicContact NZ-OE2 3.86Å; K467-E548 PolarHBondContact NZ-OE2 3.46Å; D544-E548 WeakPolarHBondContact O-CB 3.35Å; D544-E548 PolarHBondContact O-N 2.98Å; H545-E548 IonicContact CD2-OE2 3.9Å; E548-L550 VanDerWaalsContact C-N 3.33Å; E548-L550 PolarHBondContact O-N 3.19Å; E548-E551 PolarHBondContact O-N 3.05Å; E548-E552 PolarHBondContact O-N 3.26Å
549	V	93.8	Very high	92	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-27.4	-178.7	-178.4	0	0	0	0	112.6	F460 M464 K467 H545 N547 Y553	F460-V549 HydrophobicContact CD2-CG1 3.7Å; F460-V549 HydrophobicContact CE2-CG1 3.78Å; M464-V549 HydrophobicContact CB-CG1 4.47Å; M464-V549 HydrophobicContact CE-CB 4.17Å; M464-V549 HydrophobicContact CE-CG1 3.79Å; K467-V549 HydrophobicContact CG-CG2 4.47Å; H545-V549 WeakPolarHBondContact O-CG2 3.25Å; H545-V549 PolarHBondContact O-N 2.99Å; H545-V549 VanDerWaalsContact O-N 3.09Å; N547-V549 PolarHBondContact O-N 3.21Å; V549-Y553 HydrophobicContact CG1-CD2 4.27Å; V549-Y553 WeakPolarHBondContact O-CD2 3.46Å; V549-Y553 PolarHBondContact O-N 3.26Å; V549-Y553 VanDerWaalsContact O-N 3.09Å
550	L	91.6	Very high	91.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-88.7	-5.1	178.5	-70.6	-172.5	0	0	0	115.1	F460 F546 N547 E548 M556 R557 F560	F460-L550 HydrophobicContact CE2-CD2 3.96Å; F546-L550 HydrophobicContact CD1-CD1 4.01Å; F546-L550 HydrophobicContact CD2-CD1 3.93Å; F546-L550 HydrophobicContact CD2-CG 4.48Å; F546-L550 HydrophobicContact CE1-CD1 3.58Å; F546-L550 HydrophobicContact CE2-CD1 3.48Å; F546-L550 VanDerWaalsContact CE2-CD1 3.48Å; F546-L550 HydrophobicContact CE2-CG 4.4Å; F546-L550 HydrophobicContact CG-CD1 4.21Å; F546-L550 HydrophobicContact CZ-CD1 3.31Å; F546-L550 WeakPolarHBondContact O-CB 3.46Å; F546-L550 WeakPolarHBondContact O-CG 3.49Å; F546-L550 PolarHBondContact O-N 3.37Å; N547-L550 CarbonylContact O-C 3.58Å; N547-L550 PolarHBondContact O-N 3.2Å; E548-L550 VanDerWaalsContact C-N 3.33Å; E548-L550 PolarHBondContact O-N 3.19Å; L550-M556 HydrophobicContact CD2-CB 3.85Å; L550-R557 HydrophobicContact CB-CB 4.1Å; L550-R557 HydrophobicContact CB-CG 4.36Å; L550-R557 HydrophobicContact CD1-CB 4.15Å; L550-R557 HydrophobicContact CD1-CG 4.15Å; L550-R557 HydrophobicContact CD2-CB 4.21Å; L550-R557 HydrophobicContact CG-CB 4.41Å; L550-F560 HydrophobicContact CD1-CD2 3.9Å; L550-F560 HydrophobicContact CD1-CE2 4.37Å; L550-F560 HydrophobicContact CD2-CD2 4.08Å; L550-F560 HydrophobicContact CD2-CE2 4.25Å
551	E	91.9	Very high	91.4	Very high	129 Å²	129	46.5 Å²	46.5	60%	0.603	23%	0.229	S	C	*	.	H	α-helix	trans	-86.9	-30.7	168.4	-82.6	153.5	-147.3	0	0	111.2	N547 E548 R557	N547-E551 WeakPolarHBondContact O-CB 3.5Å; N547-E551 WeakPolarHBondContact O-CG 3.36Å; N547-E551 PolarHBondContact O-N 2.9Å; E548-E551 PolarHBondContact O-N 3.05Å; E551-R557 IonicContact OE1-CZ 2.76Å; E551-R557 IonicContact OE1-NH1 2.66Å; E551-R557 PolarHBondContact OE1-NH1 3Å; E551-R557 IonicContact OE1-NH2 3.36Å; E551-R557 PolarHBondContact OE1-NH2 2.92Å
552	E	92.3	Very high	90.9	Very high	133 Å²	133	47 Å²	47	62%	0.621	23%	0.232	S	C	*	.	H	α-helix	trans	-73.2	-42	167.2	-169.6	176.9	-157.9	0	0	112.5	E548 P554	E548-E552 PolarHBondContact O-N 3.26Å; E552-P554 VanDerWaalsContact C-CD 3.43Å; E552-P554 WeakPolarHBondContact O-CD 3.42Å
553	Y	90.6	Very high	90.5	Very high	47 Å²	47	45.5 Å²	45.5	18%	0.184	22%	0.222	C	C	.	.			trans	-113.1	72.9	-176.9	-63.3	-87.6	0	0	0	113.4	D457 N459 F460 V549 M555 M556 R557	D457-Y553 HydrophobicContact CB-CE1 4.38Å; N459-Y553 VanDerWaalsContact CB-OH 3.3Å; N459-Y553 WeakPolarHBondContact CB-OH 3.31Å; F460-Y553 HydrophobicContact CB-CD1 3.75Å; F460-Y553 HydrophobicContact CB-CD2 3.96Å; F460-Y553 HydrophobicContact CB-CE1 3.81Å; F460-Y553 HydrophobicContact CB-CE2 4.02Å; F460-Y553 HydrophobicContact CB-CG 3.84Å; F460-Y553 HydrophobicContact CD2-CD1 4.38Å; F460-Y553 AromaticContact CD2-CD2 3.71Å; F460-Y553 HydrophobicContact CD2-CD2 3.71Å; F460-Y553 HydrophobicContact CD2-CE2 4.48Å; F460-Y553 AromaticContact CD2-CG 3.65Å; F460-Y553 HydrophobicContact CD2-CG 3.65Å; F460-Y553 HydrophobicContact CG-CD1 4.45Å; F460-Y553 HydrophobicContact CG-CD2 4.33Å; F460-Y553 HydrophobicContact CG-CG 4.15Å; V549-Y553 HydrophobicContact CG1-CD2 4.27Å; V549-Y553 WeakPolarHBondContact O-CD2 3.46Å; V549-Y553 PolarHBondContact O-N 3.26Å; V549-Y553 VanDerWaalsContact O-N 3.09Å; Y553-M555 VanDerWaalsContact C-N 3.29Å; Y553-M555 PolarHBondContact O-N 2.93Å; Y553-M556 PolarHBondContact O-N 3.24Å; Y553-M556 VanDerWaalsContact O-N 3.12Å; Y553-R557 PolarHBondContact O-N 2.87Å
554	P	87.7	Confident	90.3	Very high	70 Å²	70	44 Å²	44	46%	0.455	21%	0.212	S	C	.	.	H	α-helix	trans	-66	-24.1	-173.6	26	-35.7	0	0	0	114.5	E552 R557 R558	E552-P554 VanDerWaalsContact C-CD 3.43Å; E552-P554 WeakPolarHBondContact O-CD 3.42Å; P554-R557 WeakPolarHBondContact O-CB 3.48Å; P554-R557 PolarHBondContact O-N 3.36Å; P554-R558 PolarHBondContact O-N 3.31Å
555	M	84.1	Confident	90	Very high	84 Å²	84	40 Å²	40	41%	0.414	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-43.5	173.4	-173.4	-80.1	-74.9	0	0	110.8	Y553 R557 R558 A559	Y553-M555 VanDerWaalsContact C-N 3.29Å; Y553-M555 PolarHBondContact O-N 2.93Å; M555-R557 VanDerWaalsContact C-N 3.26Å; M555-R557 PolarHBondContact O-N 3.02Å; M555-R558 WeakPolarHBondContact O-CB 3.19Å; M555-R558 PolarHBondContact O-N 3.49Å; M555-R558 VanDerWaalsContact O-N 3.12Å; M555-A559 PolarHBondContact O-N 3.01Å; M555-A559 VanDerWaalsContact O-N 3.1Å
556	M	88.1	Confident	89.6	Confident	9 Å²	9	38 Å²	38	4%	0.044	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-30.2	176.6	-57.9	-50.8	-67	0	0	112	L452 A456 F460 L550 Y553 A559 F560	L452-M556 HydrophobicContact CD1-CE 3.47Å; L452-M556 VanDerWaalsContact CD1-CE 3.47Å; L452-M556 HydrophobicContact CG-CE 3.71Å; L452-M556 WeakPolarHBondContact O-CE 3.31Å; A456-M556 HydrophobicContact CB-CE 3.66Å; A456-M556 HydrophobicContact CB-SD 4.1Å; F460-M556 HydrophobicContact CD1-CE 4.09Å; F460-M556 HydrophobicContact CD1-CG 3.97Å; F460-M556 HydrophobicContact CD2-CB 4.21Å; F460-M556 HydrophobicContact CD2-CG 3.85Å; F460-M556 HydrophobicContact CE1-CB 4.28Å; F460-M556 HydrophobicContact CE1-CE 3.55Å; F460-M556 HydrophobicContact CE1-CG 3.88Å; F460-M556 HydrophobicContact CE1-SD 4.43Å; F460-M556 HydrophobicContact CE2-CB 3.64Å; F460-M556 HydrophobicContact CE2-CG 3.73Å; F460-M556 HydrophobicContact CG-CG 3.95Å; F460-M556 HydrophobicContact CZ-CB 3.67Å; F460-M556 HydrophobicContact CZ-CE 4Å; F460-M556 HydrophobicContact CZ-CG 3.75Å; L550-M556 HydrophobicContact CD2-CB 3.85Å; Y553-M556 PolarHBondContact O-N 3.24Å; Y553-M556 VanDerWaalsContact O-N 3.12Å; M556-A559 PolarHBondContact O-N 3.13Å; M556-F560 WeakPolarHBondContact O-CD2 3.17Å; M556-F560 PolarHBondContact O-N 2.95Å
557	R	89.3	Confident	89.4	Confident	56 Å²	56	39.1 Å²	39.1	21%	0.211	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-44.6	172.3	-169.9	173.7	-104.5	169.7	-4.7	111.1	L521 N547 L550 E551 Y553 P554 M555 A559 F560 E561	L521-R557 HydrophobicContact CD2-CG 4.46Å; N547-R557 PolarHBondContact OD1-NH2 3.24Å; L550-R557 HydrophobicContact CB-CB 4.1Å; L550-R557 HydrophobicContact CB-CG 4.36Å; L550-R557 HydrophobicContact CD1-CB 4.15Å; L550-R557 HydrophobicContact CD1-CG 4.15Å; L550-R557 HydrophobicContact CD2-CB 4.21Å; L550-R557 HydrophobicContact CG-CB 4.41Å; E551-R557 IonicContact OE1-CZ 2.76Å; E551-R557 IonicContact OE1-NH1 2.66Å; E551-R557 PolarHBondContact OE1-NH1 3Å; E551-R557 IonicContact OE1-NH2 3.36Å; E551-R557 PolarHBondContact OE1-NH2 2.92Å; Y553-R557 PolarHBondContact O-N 2.87Å; P554-R557 WeakPolarHBondContact O-CB 3.48Å; P554-R557 PolarHBondContact O-N 3.36Å; M555-R557 VanDerWaalsContact C-N 3.26Å; M555-R557 PolarHBondContact O-N 3.02Å; R557-A559 VanDerWaalsContact C-N 3.31Å; R557-A559 PolarHBondContact O-N 3Å; R557-F560 PolarHBondContact O-N 3.24Å; R557-E561 WeakPolarHBondContact O-CG 3.35Å; R557-E561 PolarHBondContact O-N 3.03Å
558	R	85.4	Confident	89.1	Confident	59 Å²	59	38.1 Å²	38.1	22%	0.223	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-38.7	175.4	-58.8	169.7	-165.5	168.5	-1.9	111.8	P554 M555 E561 T562 V590 F591 E595	P554-R558 PolarHBondContact O-N 3.31Å; M555-R558 WeakPolarHBondContact O-CB 3.19Å; M555-R558 PolarHBondContact O-N 3.49Å; M555-R558 VanDerWaalsContact O-N 3.12Å; R558-E561 PolarHBondContact O-N 2.68Å; R558-T562 PolarHBondContact O-N 2.93Å; R558-T562 PolarHBondContact O-OG1 2.98Å; R558-V590 PolarHBondContact NH1-O 3.48Å; R558-F591 HydrophobicContact CB-CE1 3.91Å; R558-F591 HydrophobicContact CB-CZ 4.19Å; R558-F591 HydrophobicContact CG-CE1 4.17Å; R558-F591 HydrophobicContact CG-CZ 4.18Å; R558-E595 IonicContact NH1-OE1 2.71Å; R558-E595 PolarHBondContact NH1-OE1 2.88Å
559	A	86.5	Confident	88.7	Confident	3 Å²	3	37.6 Å²	37.6	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.1	0	0	0	0	0	112	L452 M555 M556 R557 E561 T562 V563 L599 I602	L452-A559 HydrophobicContact CD1-CB 3.56Å; M555-A559 PolarHBondContact O-N 3.01Å; M555-A559 VanDerWaalsContact O-N 3.1Å; M556-A559 PolarHBondContact O-N 3.13Å; R557-A559 VanDerWaalsContact C-N 3.31Å; R557-A559 PolarHBondContact O-N 3Å; A559-E561 PolarHBondContact O-N 3.32Å; A559-T562 PolarHBondContact O-N 2.82Å; A559-V563 WeakPolarHBondContact O-CG2 3.39Å; A559-V563 PolarHBondContact O-N 2.92Å; A559-V563 VanDerWaalsContact O-N 3.13Å; A559-L599 HydrophobicContact CB-CD1 4.21Å; A559-I602 HydrophobicContact CB-CD1 4.34Å
560	F	89.6	Confident	88.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-43.1	172.7	-83.6	-63.9	0	0	0	112.8	L452 F460 M464 M489 Y514 E517 L521 F546 L550 M556 R557 T562 A564	L452-F560 HydrophobicContact CD2-CD1 3.67Å; L452-F560 HydrophobicContact CD2-CD2 4.02Å; L452-F560 HydrophobicContact CD2-CE1 3.31Å; L452-F560 HydrophobicContact CD2-CE2 3.7Å; L452-F560 HydrophobicContact CD2-CG 4.02Å; L452-F560 HydrophobicContact CD2-CZ 3.34Å; F460-F560 HydrophobicContact CZ-CE2 4.41Å; M464-F560 HydrophobicContact CE-CE2 4.43Å; M489-F560 HydrophobicContact CE-CE1 3.96Å; M489-F560 HydrophobicContact CE-CZ 4.4Å; Y514-F560 HydrophobicContact CD2-CE1 4.29Å; Y514-F560 AromaticContact CE2-CD1 3.94Å; Y514-F560 HydrophobicContact CE2-CD1 3.94Å; Y514-F560 AromaticContact CE2-CE1 3.75Å; Y514-F560 HydrophobicContact CE2-CE1 3.75Å; Y514-F560 AromaticContact CZ-CE1 3.94Å; E517-F560 HydrophobicContact CB-CD1 4.47Å; L521-F560 HydrophobicContact CD1-CB 4.14Å; L521-F560 HydrophobicContact CD2-CB 4.35Å; F546-F560 HydrophobicContact CE2-CD1 4.44Å; F546-F560 AromaticContact CE2-CD2 3.91Å; F546-F560 HydrophobicContact CE2-CD2 3.91Å; F546-F560 HydrophobicContact CE2-CE1 4.31Å; F546-F560 AromaticContact CE2-CE2 3.76Å; F546-F560 HydrophobicContact CE2-CE2 3.76Å; F546-F560 HydrophobicContact CE2-CG 4.25Å; F546-F560 AromaticContact CE2-CZ 3.97Å; F546-F560 HydrophobicContact CE2-CZ 3.97Å; F546-F560 HydrophobicContact CZ-CD2 4.18Å; F546-F560 HydrophobicContact CZ-CE2 4.48Å; F546-F560 HydrophobicContact CZ-CG 4.24Å; L550-F560 HydrophobicContact CD1-CD2 3.9Å; L550-F560 HydrophobicContact CD1-CE2 4.37Å; L550-F560 HydrophobicContact CD2-CD2 4.08Å; L550-F560 HydrophobicContact CD2-CE2 4.25Å; M556-F560 WeakPolarHBondContact O-CD2 3.17Å; M556-F560 PolarHBondContact O-N 2.95Å; R557-F560 PolarHBondContact O-N 3.24Å; F560-T562 VanDerWaalsContact C-N 3.34Å; F560-T562 PolarHBondContact O-N 2.65Å; F560-A564 VanDerWaalsContact O-CB 3.25Å; F560-A564 WeakPolarHBondContact O-CB 3.4Å; F560-A564 PolarHBondContact O-N 2.7Å
561	E	89.2	Confident	87.7	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-38.4	177.9	-72.7	-179.5	165.2	0	0	112.8	L521 R557 R558 A559 A564 I565 L578 K581	L521-E561 HydrophobicContact CD1-CG 4.16Å; L521-E561 HydrophobicContact CD2-CG 3.89Å; L521-E561 HydrophobicContact CG-CG 4.44Å; R557-E561 WeakPolarHBondContact O-CG 3.35Å; R557-E561 PolarHBondContact O-N 3.03Å; R558-E561 PolarHBondContact O-N 2.68Å; A559-E561 PolarHBondContact O-N 3.32Å; E561-A564 PolarHBondContact O-N 3.4Å; E561-I565 VanDerWaalsContact O-CG1 3.32Å; E561-I565 WeakPolarHBondContact O-CG1 3.42Å; E561-I565 PolarHBondContact O-N 2.86Å; E561-L578 HydrophobicContact CB-CD2 4.03Å; E561-L578 HydrophobicContact CG-CD2 3.95Å; E561-K581 IonicContact OE1-NZ 2.61Å; E561-K581 PolarHBondContact OE1-NZ 3.46Å; E561-K581 IonicContact OE2-NZ 3.68Å; E561-K581 PolarHBondContact OE2-NZ 3.29Å
562	T	86.7	Confident	87	Confident	11 Å²	11	37 Å²	37	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-73.8	-41.8	-178.7	-45.3	0	0	0	0	111.9	R558 A559 F560 A564 I565 D566 F582 L599 I603	R558-T562 PolarHBondContact O-N 2.93Å; R558-T562 PolarHBondContact O-OG1 2.98Å; A559-T562 PolarHBondContact O-N 2.82Å; F560-T562 VanDerWaalsContact C-N 3.34Å; F560-T562 PolarHBondContact O-N 2.65Å; T562-A564 VanDerWaalsContact C-N 3.3Å; T562-A564 PolarHBondContact O-N 3.37Å; T562-I565 PolarHBondContact O-N 3.39Å; T562-D566 PolarHBondContact O-N 2.72Å; T562-F582 HydrophobicContact CG2-CE1 4.11Å; T562-F582 HydrophobicContact CG2-CE2 4.08Å; T562-F582 HydrophobicContact CG2-CZ 3.57Å; T562-F582 WeakPolarHBondContact OG1-CE2 3.27Å; T562-F582 WeakPolarHBondContact OG1-CZ 3.49Å; T562-L599 HydrophobicContact CG2-CD1 4.27Å; T562-L599 HydrophobicContact CG2-CD2 3.93Å; T562-L599 HydrophobicContact CG2-CG 3.95Å; T562-I603 HydrophobicContact CG2-CD1 3.72Å
563	V	88.4	Confident	86.5	Confident	1 Å²	1	33 Å²	33	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-38	173.1	177.5	0	0	0	0	110.6	Y514 A559 I565 D566 R567 I602 I603 D606	Y514-V563 WeakPolarHBondContact OH-CG1 3.43Å; A559-V563 WeakPolarHBondContact O-CG2 3.39Å; A559-V563 PolarHBondContact O-N 2.92Å; A559-V563 VanDerWaalsContact O-N 3.13Å; V563-I565 VanDerWaalsContact C-N 3.35Å; V563-I565 PolarHBondContact O-N 3.44Å; V563-D566 PolarHBondContact O-N 2.65Å; V563-R567 HydrophobicContact CG1-CG 4.17Å; V563-R567 VanDerWaalsContact O-CB 3.3Å; V563-R567 WeakPolarHBondContact O-CB 3.49Å; V563-R567 VanDerWaalsContact O-CG 3.22Å; V563-R567 WeakPolarHBondContact O-CG 3.44Å; V563-R567 PolarHBondContact O-N 3.48Å; V563-I602 HydrophobicContact CG2-CG2 3.68Å; V563-I603 HydrophobicContact CG2-CG1 4.41Å; V563-D606 HydrophobicContact CG1-CB 4.46Å
564	A	89.4	Confident	85.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-38.2	173.7	0	0	0	0	0	113.1	E517 I518 L521 F560 E561 T562 L568 L578	E517-A564 HydrophobicContact CG-CB 4.44Å; I518-A564 HydrophobicContact CG1-CB 3.96Å; L521-A564 HydrophobicContact CD1-CB 3.8Å; F560-A564 VanDerWaalsContact O-CB 3.25Å; F560-A564 WeakPolarHBondContact O-CB 3.4Å; F560-A564 PolarHBondContact O-N 2.7Å; E561-A564 PolarHBondContact O-N 3.4Å; T562-A564 VanDerWaalsContact C-N 3.3Å; T562-A564 PolarHBondContact O-N 3.37Å; A564-L568 VanDerWaalsContact O-CB 3.32Å; A564-L568 WeakPolarHBondContact O-CB 3.42Å; A564-L568 VanDerWaalsContact O-CG 3.26Å; A564-L568 WeakPolarHBondContact O-CG 3.47Å; A564-L568 PolarHBondContact O-N 3.15Å; A564-L578 HydrophobicContact CB-CD1 4.39Å
565	I	88.3	Confident	85.5	Confident	29 Å²	29	37.3 Å²	37.3	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-45.6	175.9	-71.6	165.2	0	0	0	111.5	E561 T562 V563 L568 D569 L578 L579 F582	E561-I565 VanDerWaalsContact O-CG1 3.32Å; E561-I565 WeakPolarHBondContact O-CG1 3.42Å; E561-I565 PolarHBondContact O-N 2.86Å; T562-I565 PolarHBondContact O-N 3.39Å; V563-I565 VanDerWaalsContact C-N 3.35Å; V563-I565 PolarHBondContact O-N 3.44Å; I565-L568 WeakPolarHBondContact O-CB 3.38Å; I565-L568 PolarHBondContact O-N 3.36Å; I565-D569 PolarHBondContact O-N 3.35Å; I565-L578 HydrophobicContact CD1-CD2 4.3Å; I565-L578 HydrophobicContact CG1-CD1 4.42Å; I565-L579 HydrophobicContact CG2-CD1 4.02Å; I565-F582 HydrophobicContact CD1-CB 3.46Å; I565-F582 VanDerWaalsContact CD1-CB 3.46Å; I565-F582 HydrophobicContact CD1-CD1 3.78Å; I565-F582 HydrophobicContact CD1-CD2 4.44Å; I565-F582 HydrophobicContact CD1-CG 3.64Å
566	D	87.9	Confident	85.2	Confident	21 Å²	21	37.6 Å²	37.6	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-39.9	177.4	178.8	89.3	0	0	0	112.3	T562 V563 D569 R570 I603 R607	T562-D566 PolarHBondContact O-N 2.72Å; V563-D566 PolarHBondContact O-N 2.65Å; D566-D569 PolarHBondContact O-N 3.35Å; D566-R570 WeakPolarHBondContact O-CB 3.39Å; D566-R570 PolarHBondContact O-N 2.84Å; D566-R570 IonicContact OD2-CZ 3.38Å; D566-R570 IonicContact OD2-NE 3.39Å; D566-R570 PolarHBondContact OD2-NE 2.76Å; D566-R570 IonicContact OD2-NH2 2.63Å; D566-R570 PolarHBondContact OD2-NH2 3.41Å; D566-I603 HydrophobicContact CB-CG2 4.21Å; D566-R607 IonicContact OD1-CZ 2.68Å; D566-R607 VanDerWaalsContact OD1-CZ 3.26Å; D566-R607 IonicContact OD1-NE 3.22Å; D566-R607 PolarHBondContact OD1-NE 3.3Å; D566-R607 IonicContact OD1-NH2 3.41Å; D566-R607 PolarHBondContact OD1-NH2 2.91Å; D566-R607 IonicContact OD2-NE 3.31Å; D566-R607 PolarHBondContact OD2-NE 2.93Å
567	R	89.3	Confident	84.7	Confident	25 Å²	25	43.4 Å²	43.4	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-37	174.3	-74	174.2	170.2	-158.4	-4.8	112.7	Y514 E517 I518 V563 I571 D606	Y514-R567 PolarHBondContact O-NH1 3.4Å; Y514-R567 PolarHBondContact O-NH2 3.49Å; E517-R567 VanDerWaalsContact OE1-CD 3.22Å; E517-R567 WeakPolarHBondContact OE1-CD 3.45Å; E517-R567 IonicContact OE1-CZ 3.72Å; E517-R567 IonicContact OE1-NE 2.74Å; E517-R567 IonicContact OE1-NH1 2.81Å; E517-R567 PolarHBondContact OE1-NH1 3.07Å; E517-R567 IonicContact OE2-NH1 3.66Å; E517-R567 PolarHBondContact OE2-NH1 3.46Å; I518-R567 HydrophobicContact CD1-CB 4.48Å; V563-R567 HydrophobicContact CG1-CG 4.17Å; V563-R567 VanDerWaalsContact O-CB 3.3Å; V563-R567 WeakPolarHBondContact O-CB 3.49Å; V563-R567 VanDerWaalsContact O-CG 3.22Å; V563-R567 WeakPolarHBondContact O-CG 3.44Å; V563-R567 PolarHBondContact O-N 3.48Å; R567-I571 PolarHBondContact O-N 3.48Å; R567-D606 IonicContact CZ-OD1 2.64Å; R567-D606 IonicContact CZ-OD2 2.68Å; R567-D606 IonicContact NE-OD1 2.74Å; R567-D606 PolarHBondContact NE-OD1 3.07Å; R567-D606 IonicContact NE-OD2 3.53Å; R567-D606 PolarHBondContact NE-OD2 3.02Å; R567-D606 IonicContact NH2-OD1 2.65Å; R567-D606 PolarHBondContact NH2-OD1 3.36Å; R567-D606 IonicContact NH2-OD2 3.35Å
568	L	86.8	Confident	84.3	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-50.2	172.5	-87.3	170.4	0	0	0	111	I518 T527 A564 I565 R570 I571 G572 K573 N575	I518-L568 HydrophobicContact CD1-CG 4.32Å; I518-L568 HydrophobicContact CG2-CD1 4.08Å; I518-L568 HydrophobicContact CG2-CD2 4.3Å; I518-L568 HydrophobicContact CG2-CG 4.18Å; T527-L568 HydrophobicContact CG2-CD2 4.08Å; A564-L568 VanDerWaalsContact O-CB 3.32Å; A564-L568 WeakPolarHBondContact O-CB 3.42Å; A564-L568 VanDerWaalsContact O-CG 3.26Å; A564-L568 WeakPolarHBondContact O-CG 3.47Å; A564-L568 PolarHBondContact O-N 3.15Å; I565-L568 WeakPolarHBondContact O-CB 3.38Å; I565-L568 PolarHBondContact O-N 3.36Å; L568-R570 PolarHBondContact O-N 2.85Å; L568-I571 WeakPolarHBondContact O-CG1 3.3Å; L568-I571 PolarHBondContact O-N 2.96Å; L568-I571 VanDerWaalsContact O-N 3.12Å; L568-G572 PolarHBondContact O-N 3.27Å; L568-K573 CarbonylContact C-O 3.53Å; L568-K573 WeakPolarHBondContact CB-O 3.47Å; L568-K573 HydrophobicContact CD2-CB 4.22Å; L568-K573 PolarHBondContact O-N 3Å; L568-K573 VanDerWaalsContact O-N 3.13Å; L568-N575 HydrophobicContact CD1-CB 3.79Å
569	D	85.4	Confident	84	Confident	87 Å²	87	41.9 Å²	41.9	47%	0.465	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-42.2	179.5	-153.1	66.6	0	0	0	111.8	I565 D566 I571 G572 K574	I565-D569 PolarHBondContact O-N 3.35Å; D566-D569 PolarHBondContact O-N 3.35Å; D569-I571 PolarHBondContact O-N 3.3Å; D569-I571 VanDerWaalsContact O-N 3.15Å; D569-G572 PolarHBondContact O-N 3.36Å; D569-K574 VanDerWaalsContact OD1-CE 3.25Å; D569-K574 WeakPolarHBondContact OD1-CE 3.2Å; D569-K574 IonicContact OD1-NZ 3.75Å; D569-K574 PolarHBondContact OD1-NZ 3.2Å
570	R	83.1	Confident	83.7	Confident	50 Å²	50	48.3 Å²	48.3	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-25.4	174	-85.1	-170.8	-85.4	159.8	-5.2	114.7	K505 D566 L568 D606	K505-R570 PolarHBondContact NZ-O 2.96Å; D566-R570 WeakPolarHBondContact O-CB 3.39Å; D566-R570 PolarHBondContact O-N 2.84Å; D566-R570 IonicContact OD2-CZ 3.38Å; D566-R570 IonicContact OD2-NE 3.39Å; D566-R570 PolarHBondContact OD2-NE 2.76Å; D566-R570 IonicContact OD2-NH2 2.63Å; D566-R570 PolarHBondContact OD2-NH2 3.41Å; L568-R570 PolarHBondContact O-N 2.85Å; R570-D606 IonicContact CZ-OD2 3.15Å; R570-D606 IonicContact NH1-OD2 2.78Å; R570-D606 PolarHBondContact NH1-OD2 3.15Å; R570-D606 IonicContact NH2-OD2 3.79Å; R570-D606 PolarHBondContact NH2-OD2 2.88Å
571	I	81.3	Confident	83.3	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.077	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	9	174.7	67.9	170.1	0	0	0	113.9	T501 M507 R567 L568 D569 K573	T501-I571 HydrophobicContact CG2-CB 4.21Å; T501-I571 HydrophobicContact CG2-CG2 4.11Å; M507-I571 HydrophobicContact CE-CG2 3.47Å; M507-I571 VanDerWaalsContact CE-CG2 3.47Å; M507-I571 HydrophobicContact SD-CG2 4.44Å; R567-I571 PolarHBondContact O-N 3.48Å; L568-I571 WeakPolarHBondContact O-CG1 3.3Å; L568-I571 PolarHBondContact O-N 2.96Å; L568-I571 VanDerWaalsContact O-N 3.12Å; D569-I571 PolarHBondContact O-N 3.3Å; D569-I571 VanDerWaalsContact O-N 3.15Å; I571-K573 VanDerWaalsContact C-N 3.3Å; I571-K573 HydrophobicContact CD1-CB 4.37Å; I571-K573 HydrophobicContact CD1-CD 4.01Å; I571-K573 HydrophobicContact CD1-CG 4.31Å; I571-K573 HydrophobicContact CG1-CB 4.15Å; I571-K573 HydrophobicContact CG1-CD 4.46Å; I571-K573 HydrophobicContact CG1-CG 4.22Å; I571-K573 PolarHBondContact O-N 2.81Å
572	G	78.6	Confident	82.8	Confident	59 Å²	59	52.7 Å²	52.7	61%	0.608	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	24.2	178.7	0	0	0	0	0	114.1	L568 D569	L568-G572 PolarHBondContact O-N 3.27Å; D569-G572 PolarHBondContact O-N 3.36Å
573	K	80.4	Confident	82.3	Confident	48 Å²	48	56.5 Å²	56.5	21%	0.209	29%	0.294	C	S	.	.			trans	-121.5	139.5	177.5	-62.3	-174.4	-179.6	-179	0	109	E482 T527 L568 I571	E482-K573 IonicContact OE1-NZ 3.04Å; E482-K573 PolarHBondContact OE1-NZ 3.35Å; E482-K573 IonicContact OE2-NZ 2.73Å; T527-K573 PolarHBondContact O-NZ 2.96Å; L568-K573 CarbonylContact C-O 3.53Å; L568-K573 WeakPolarHBondContact CB-O 3.47Å; L568-K573 HydrophobicContact CD2-CB 4.22Å; L568-K573 PolarHBondContact O-N 3Å; L568-K573 VanDerWaalsContact O-N 3.13Å; I571-K573 VanDerWaalsContact C-N 3.3Å; I571-K573 HydrophobicContact CD1-CB 4.37Å; I571-K573 HydrophobicContact CD1-CD 4.01Å; I571-K573 HydrophobicContact CD1-CG 4.31Å; I571-K573 HydrophobicContact CG1-CB 4.15Å; I571-K573 HydrophobicContact CG1-CD 4.46Å; I571-K573 HydrophobicContact CG1-CG 4.22Å; I571-K573 PolarHBondContact O-N 2.81Å
574	K	77.6	Confident	81.9	Confident	160 Å²	160	63.7 Å²	63.7	70%	0.696	33%	0.325	S	S	*	.			trans	-121.5	139.4	175.7	-56.4	-168	-168.4	-117.9	0	110	D569	D569-K574 VanDerWaalsContact OD1-CE 3.25Å; D569-K574 WeakPolarHBondContact OD1-CE 3.2Å; D569-K574 IonicContact OD1-NZ 3.75Å; D569-K574 PolarHBondContact OD1-NZ 3.2Å
575	N	79	Confident	81.2	Confident	47 Å²	47	65.5 Å²	65.5	25%	0.251	34%	0.335	S	S	.	.			trans	-110	106.5	172	-174.8	-44.2	0	0	0	107.9	T522 L568 L577 L578 L579	T522-N575 VanDerWaalsContact CG2-ND2 3.34Å; T522-N575 WeakPolarHBondContact CG2-ND2 3.44Å; L568-N575 HydrophobicContact CD1-CB 3.79Å; N575-L577 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 3.39Å; N575-L577 PolarHBondContact OD1-N 3.28Å; N575-L577 VanDerWaalsContact OD1-N 3.12Å; N575-L578 HydrophobicContact CB-CB 4.23Å; N575-L578 PolarHBondContact O-N 3.16Å; N575-L578 PolarHBondContact OD1-N 2.82Å; N575-L578 VanDerWaalsContact OD1-N 3.12Å; N575-L579 WeakPolarHBondContact O-CB 3.43Å; N575-L579 PolarHBondContact O-N 2.81Å
576	S	78	Confident	80.5	Confident	90 Å²	90	66.9 Å²	66.9	63%	0.629	34%	0.342	S	S	*	.	H	α-helix	trans	-62.6	-36.5	-176.3	46.9	0	0	0	0	112.8	Q580	S576-Q580 WeakPolarHBondContact O-CB 3.26Å; S576-Q580 PolarHBondContact O-N 2.62Å
577	L	79	Confident	79.7	Confident	131 Å²	131	71.8 Å²	71.8	69%	0.686	37%	0.368	S	S	*	.	H	α-helix	trans	-66.2	-46.8	179.1	-65.6	169.8	0	0	0	111.6	N575 K581	N575-L577 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 3.39Å; N575-L577 PolarHBondContact OD1-N 3.28Å; N575-L577 VanDerWaalsContact OD1-N 3.12Å; L577-K581 WeakPolarHBondContact O-CB 3.49Å; L577-K581 PolarHBondContact O-N 2.7Å
578	L	80.1	Confident	79.1	Confident	10 Å²	10	73.8 Å²	73.8	5%	0.052	39%	0.39	C	S	.	.	H	α-helix	trans	-65.2	-44.4	178.4	-127.5	-172	0	0	0	111	T522 E561 A564 I565 N575 K581 F582	T522-L578 HydrophobicContact CG2-CB 4.32Å; T522-L578 HydrophobicContact CG2-CD1 3.45Å; T522-L578 VanDerWaalsContact CG2-CD1 3.45Å; T522-L578 HydrophobicContact CG2-CG 3.81Å; E561-L578 HydrophobicContact CB-CD2 4.03Å; E561-L578 HydrophobicContact CG-CD2 3.95Å; A564-L578 HydrophobicContact CB-CD1 4.39Å; I565-L578 HydrophobicContact CD1-CD2 4.3Å; I565-L578 HydrophobicContact CG1-CD1 4.42Å; N575-L578 HydrophobicContact CB-CB 4.23Å; N575-L578 PolarHBondContact O-N 3.16Å; N575-L578 PolarHBondContact OD1-N 2.82Å; N575-L578 VanDerWaalsContact OD1-N 3.12Å; L578-K581 PolarHBondContact O-N 2.76Å; L578-F582 WeakPolarHBondContact O-CB 3.38Å; L578-F582 PolarHBondContact O-N 3.24Å
579	L	79.2	Confident	78.2	Confident	74 Å²	74	76.5 Å²	76.5	39%	0.387	42%	0.42	S	S	.	.	H	α-helix	trans	-66.8	-41.7	-180	-175	63.7	0	0	0	112.1	I565 N575 F582 Q583	I565-L579 HydrophobicContact CG2-CD1 4.02Å; N575-L579 WeakPolarHBondContact O-CB 3.43Å; N575-L579 PolarHBondContact O-N 2.81Å; L579-F582 PolarHBondContact O-N 3.12Å; L579-Q583 VanDerWaalsContact O-CB 3.25Å; L579-Q583 WeakPolarHBondContact O-CB 3.15Å; L579-Q583 PolarHBondContact O-N 3.08Å
580	Q	79.9	Confident	77.4	Confident	137 Å²	137	75.2 Å²	75.2	64%	0.64	42%	0.415	S	S	*	.	H	α-helix	trans	-67.4	-38.8	177.2	-174.7	-179.7	12.8	0	0	111.7	S576 K584	S576-Q580 WeakPolarHBondContact O-CB 3.26Å; S576-Q580 PolarHBondContact O-N 2.62Å; Q580-K584 WeakPolarHBondContact O-CB 3.42Å; Q580-K584 PolarHBondContact O-N 2.76Å
581	K	81.4	Confident	76.6	Confident	82 Å²	82	73.8 Å²	73.8	36%	0.357	41%	0.41	S	S	.	.	H	α-helix	trans	-60.6	-54.7	172.4	-172.1	-146	169.5	-151.6	0	110.4	E561 L577 L578 Q583 K584 D585	E561-K581 IonicContact OE1-NZ 2.61Å; E561-K581 PolarHBondContact OE1-NZ 3.46Å; E561-K581 IonicContact OE2-NZ 3.68Å; E561-K581 PolarHBondContact OE2-NZ 3.29Å; L577-K581 WeakPolarHBondContact O-CB 3.49Å; L577-K581 PolarHBondContact O-N 2.7Å; L578-K581 PolarHBondContact O-N 2.76Å; K581-Q583 VanDerWaalsContact C-N 3.34Å; K581-Q583 PolarHBondContact O-N 3.32Å; K581-K584 WeakPolarHBondContact O-CB 3.38Å; K581-K584 PolarHBondContact O-N 2.84Å; K581-D585 WeakPolarHBondContact CE-OD2 3.49Å; K581-D585 IonicContact NZ-OD2 2.88Å; K581-D585 PolarHBondContact O-N 3.19Å
582	F	78.2	Confident	76.3	Confident	22 Å²	22	78.4 Å²	78.4	10%	0.096	44%	0.435	C	S	.	.	H	α-helix	trans	-60.1	-41.3	-179.3	-178.4	-110.5	0	0	0	112.8	T562 I565 L578 L579 K584 D585 L586 F591 L599	T562-F582 HydrophobicContact CG2-CE1 4.11Å; T562-F582 HydrophobicContact CG2-CE2 4.08Å; T562-F582 HydrophobicContact CG2-CZ 3.57Å; T562-F582 WeakPolarHBondContact OG1-CE2 3.27Å; T562-F582 WeakPolarHBondContact OG1-CZ 3.49Å; I565-F582 HydrophobicContact CD1-CB 3.46Å; I565-F582 VanDerWaalsContact CD1-CB 3.46Å; I565-F582 HydrophobicContact CD1-CD1 3.78Å; I565-F582 HydrophobicContact CD1-CD2 4.44Å; I565-F582 HydrophobicContact CD1-CG 3.64Å; L578-F582 WeakPolarHBondContact O-CB 3.38Å; L578-F582 PolarHBondContact O-N 3.24Å; L579-F582 PolarHBondContact O-N 3.12Å; F582-K584 VanDerWaalsContact C-N 3.34Å; F582-K584 PolarHBondContact O-N 2.95Å; F582-D585 PolarHBondContact O-N 3.39Å; F582-L586 HydrophobicContact CD1-CD1 3.91Å; F582-L586 HydrophobicContact CE1-CD1 3.41Å; F582-L586 VanDerWaalsContact CE1-CD1 3.41Å; F582-L586 HydrophobicContact CE1-CG 4.38Å; F582-L586 HydrophobicContact CE2-CD1 4.47Å; F582-L586 HydrophobicContact CZ-CD1 3.72Å; F582-L586 HydrophobicContact CZ-CG 4.28Å; F582-L586 WeakPolarHBondContact O-CB 3.42Å; F582-L586 PolarHBondContact O-N 2.88Å; F582-F591 HydrophobicContact CD2-CZ 4.17Å; F582-F591 HydrophobicContact CE2-CE1 4.28Å; F582-F591 HydrophobicContact CE2-CE2 4.34Å; F582-F591 AromaticContact CE2-CZ 3.65Å; F582-F591 HydrophobicContact CE2-CZ 3.65Å; F582-L599 HydrophobicContact CE2-CD2 4.44Å; F582-L599 HydrophobicContact CZ-CD2 4.28Å
583	Q	75.9	Confident	76.2	Confident	91 Å²	91	81.7 Å²	81.7	43%	0.425	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-35.6	174.8	-169.7	67.1	67.8	0	0	112.2	L579 K581 N587	L579-Q583 VanDerWaalsContact O-CB 3.25Å; L579-Q583 WeakPolarHBondContact O-CB 3.15Å; L579-Q583 PolarHBondContact O-N 3.08Å; K581-Q583 VanDerWaalsContact C-N 3.34Å; K581-Q583 PolarHBondContact O-N 3.32Å; Q583-N587 PolarHBondContact NE2-OD1 3.16Å; Q583-N587 VanDerWaalsContact O-CB 3.27Å; Q583-N587 WeakPolarHBondContact O-CB 3.47Å; Q583-N587 PolarHBondContact O-N 2.65Å; Q583-N587 PolarHBondContact O-OD1 3.49Å; Q583-N587 VanDerWaalsContact O-OD1 3.11Å
584	K	80.5	Confident	76	Confident	152 Å²	152	86.6 Å²	86.6	66%	0.661	47%	0.467	S	S	*	.	H	α-helix	trans	-65.8	-45	173.8	-174.5	-172.4	176.5	-170.9	0	111.1	Q580 K581 F582 L586 N587 A588	Q580-K584 WeakPolarHBondContact O-CB 3.42Å; Q580-K584 PolarHBondContact O-N 2.76Å; K581-K584 WeakPolarHBondContact O-CB 3.38Å; K581-K584 PolarHBondContact O-N 2.84Å; F582-K584 VanDerWaalsContact C-N 3.34Å; F582-K584 PolarHBondContact O-N 2.95Å; K584-L586 VanDerWaalsContact C-N 3.33Å; K584-L586 PolarHBondContact O-N 2.85Å; K584-N587 PolarHBondContact O-N 3.23Å; K584-A588 VanDerWaalsContact O-CB 3.27Å; K584-A588 WeakPolarHBondContact O-CB 3.44Å; K584-A588 PolarHBondContact O-N 3.3Å
585	D	75.3	Confident	76	Confident	39 Å²	39	80.9 Å²	80.9	21%	0.209	44%	0.443	C	S	.	.	H	α-helix	trans	-66	-37.1	-179.8	-62.3	-16.2	0	0	0	111	K581 F582 V590 F591	K581-D585 WeakPolarHBondContact CE-OD2 3.49Å; K581-D585 IonicContact NZ-OD2 2.88Å; K581-D585 PolarHBondContact O-N 3.19Å; F582-D585 PolarHBondContact O-N 3.39Å; D585-V590 WeakPolarHBondContact O-CB 3.44Å; D585-V590 PolarHBondContact O-N 3.46Å; D585-F591 HydrophobicContact CB-CE2 4.03Å
586	L	73	Confident	76	Confident	57 Å²	57	80.6 Å²	80.6	30%	0.298	44%	0.441	S	S	.	.	H	α-helix	trans	-61.7	-52.9	168.7	-94.3	166	0	0	0	112.4	F582 K584 A588 G589 F591	F582-L586 HydrophobicContact CD1-CD1 3.91Å; F582-L586 HydrophobicContact CE1-CD1 3.41Å; F582-L586 VanDerWaalsContact CE1-CD1 3.41Å; F582-L586 HydrophobicContact CE1-CG 4.38Å; F582-L586 HydrophobicContact CE2-CD1 4.47Å; F582-L586 HydrophobicContact CZ-CD1 3.72Å; F582-L586 HydrophobicContact CZ-CG 4.28Å; F582-L586 WeakPolarHBondContact O-CB 3.42Å; F582-L586 PolarHBondContact O-N 2.88Å; K584-L586 VanDerWaalsContact C-N 3.33Å; K584-L586 PolarHBondContact O-N 2.85Å; L586-A588 PolarHBondContact O-N 3.41Å; L586-G589 PolarHBondContact O-N 3.22Å; L586-F591 HydrophobicContact CD2-CD2 4.1Å; L586-F591 HydrophobicContact CD2-CE2 4.44Å; L586-F591 HydrophobicContact CG-CD2 4.19Å; L586-F591 HydrophobicContact CG-CE2 4.06Å
587	N	72.3	Confident	76.2	Confident	124 Å²	124	79.9 Å²	79.9	66%	0.663	43%	0.428	S	S	*	.	H	α-helix	trans	-65.7	-22.8	-177.7	-69.6	6.8	0	0	0	112.8	Q583 K584 G589	Q583-N587 PolarHBondContact NE2-OD1 3.16Å; Q583-N587 VanDerWaalsContact O-CB 3.27Å; Q583-N587 WeakPolarHBondContact O-CB 3.47Å; Q583-N587 PolarHBondContact O-N 2.65Å; Q583-N587 PolarHBondContact O-OD1 3.49Å; Q583-N587 VanDerWaalsContact O-OD1 3.11Å; K584-N587 PolarHBondContact O-N 3.23Å; N587-G589 PolarHBondContact O-N 3.44Å
588	A	75.4	Confident	76.3	Confident	68 Å²	68	76.7 Å²	76.7	56%	0.562	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	1.6	174.8	0	0	0	0	0	113.8	K584 L586 V590	K584-A588 VanDerWaalsContact O-CB 3.27Å; K584-A588 WeakPolarHBondContact O-CB 3.44Å; K584-A588 PolarHBondContact O-N 3.3Å; L586-A588 PolarHBondContact O-N 3.41Å; A588-V590 VanDerWaalsContact C-N 3.27Å; A588-V590 HydrophobicContact CB-CG2 3.77Å; A588-V590 PolarHBondContact O-N 3.41Å
589	G	68.2	Low	76.4	Confident	63 Å²	63	77 Å²	77	65%	0.649	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	18.9	177.5	0	0	0	0	0	114.3	L586 N587 F591	L586-G589 PolarHBondContact O-N 3.22Å; N587-G589 PolarHBondContact O-N 3.44Å; G589-F591 PolarHBondContact O-N 3.44Å
590	V	69	Low	76.6	Confident	60 Å²	60	78.4 Å²	78.4	36%	0.364	42%	0.416	S	S	.	.			trans	-75	-7.2	-171.4	178.1	0	0	0	0	113.2	R558 D585 A588	R558-V590 PolarHBondContact NH1-O 3.48Å; D585-V590 WeakPolarHBondContact O-CB 3.44Å; D585-V590 PolarHBondContact O-N 3.46Å; A588-V590 VanDerWaalsContact C-N 3.27Å; A588-V590 HydrophobicContact CB-CG2 3.77Å; A588-V590 PolarHBondContact O-N 3.41Å
591	F	67.1	Low	76.8	Confident	21 Å²	21	76 Å²	76	9%	0.092	40%	0.404	C	S	.	.	S	Bend	trans	-112.5	122.4	-179.6	-63.5	-97.9	0	0	0	111.4	R558 F582 D585 L586 G589 N596 L599	R558-F591 HydrophobicContact CB-CE1 3.91Å; R558-F591 HydrophobicContact CB-CZ 4.19Å; R558-F591 HydrophobicContact CG-CE1 4.17Å; R558-F591 HydrophobicContact CG-CZ 4.18Å; F582-F591 HydrophobicContact CD2-CZ 4.17Å; F582-F591 HydrophobicContact CE2-CE1 4.28Å; F582-F591 HydrophobicContact CE2-CE2 4.34Å; F582-F591 AromaticContact CE2-CZ 3.65Å; F582-F591 HydrophobicContact CE2-CZ 3.65Å; D585-F591 HydrophobicContact CB-CE2 4.03Å; L586-F591 HydrophobicContact CD2-CD2 4.1Å; L586-F591 HydrophobicContact CD2-CE2 4.44Å; L586-F591 HydrophobicContact CG-CD2 4.19Å; L586-F591 HydrophobicContact CG-CE2 4.06Å; G589-F591 PolarHBondContact O-N 3.44Å; F591-N596 VanDerWaalsContact CB-ND2 3.26Å; F591-N596 WeakPolarHBondContact CB-ND2 3.4Å; F591-N596 PolarHBondContact O-ND2 2.82Å; F591-L599 HydrophobicContact CD1-CD2 4.49Å; F591-L599 HydrophobicContact CE1-CD2 4.13Å
592	N	74.4	Confident	76.9	Confident	111 Å²	111	72.7 Å²	72.7	59%	0.594	39%	0.39	S	S	*	.			trans	-67.1	158.1	168.4	-69	-65.9	0	0	0	111.6	Q594 E595 N596	N592-Q594 PolarHBondContact O-N 3.01Å; N592-E595 HydrophobicContact CB-CG 4.3Å; N592-E595 WeakPolarHBondContact CB-OE2 3.32Å; N592-E595 PolarHBondContact N-OE2 3.14Å; N592-E595 PolarHBondContact ND2-OE2 3.35Å; N592-E595 PolarHBondContact O-N 3.3Å; N592-N596 PolarHBondContact O-N 2.94Å; N592-N596 PolarHBondContact O-ND2 2.67Å
593	T	76.4	Confident	77.2	Confident	128 Å²	128	73.1 Å²	73.1	79%	0.785	39%	0.393	S	S	*	.	H	α-helix	trans	-57.3	-36.5	177.7	-40.1	0	0	0	0	112.2	E597	T593-E597 PolarHBondContact O-N 2.89Å
594	Q	76.6	Confident	77.7	Confident	151 Å²	151	75.5 Å²	75.5	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-70.1	-43.1	177.3	-174.6	175.7	-2.6	0	0	112.6	N592 N596 E597 I598	N592-Q594 PolarHBondContact O-N 3.01Å; Q594-N596 VanDerWaalsContact C-N 3.32Å; Q594-N596 PolarHBondContact O-N 3.15Å; Q594-E597 PolarHBondContact O-N 3.43Å; Q594-E597 VanDerWaalsContact O-N 3.14Å; Q594-I598 HydrophobicContact CG-CD1 4.2Å; Q594-I598 WeakPolarHBondContact O-CG1 3.44Å; Q594-I598 PolarHBondContact O-N 3.02Å
595	E	76.8	Confident	77.8	Confident	41 Å²	41	71.6 Å²	71.6	19%	0.192	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-45.1	174.5	-70.5	174.6	97.6	0	0	110.6	R558 N592 E597 I598 L599	R558-E595 IonicContact NH1-OE1 2.71Å; R558-E595 PolarHBondContact NH1-OE1 2.88Å; N592-E595 HydrophobicContact CB-CG 4.3Å; N592-E595 WeakPolarHBondContact CB-OE2 3.32Å; N592-E595 PolarHBondContact N-OE2 3.14Å; N592-E595 PolarHBondContact ND2-OE2 3.35Å; N592-E595 PolarHBondContact O-N 3.3Å; E595-E597 VanDerWaalsContact C-N 3.26Å; E595-E597 PolarHBondContact O-N 3Å; E595-I598 PolarHBondContact O-N 3.47Å; E595-L599 VanDerWaalsContact O-CB 3.24Å; E595-L599 WeakPolarHBondContact O-CB 3.26Å; E595-L599 PolarHBondContact O-N 3.3Å
596	N	79.3	Confident	78.3	Confident	40 Å²	40	70 Å²	70	21%	0.214	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-32.9	175.9	-84	-63.8	0	0	0	113.3	F591 N592 Q594 K600	F591-N596 VanDerWaalsContact CB-ND2 3.26Å; F591-N596 WeakPolarHBondContact CB-ND2 3.4Å; F591-N596 PolarHBondContact O-ND2 2.82Å; N592-N596 PolarHBondContact O-N 2.94Å; N592-N596 PolarHBondContact O-ND2 2.67Å; Q594-N596 VanDerWaalsContact C-N 3.32Å; Q594-N596 PolarHBondContact O-N 3.15Å; N596-K600 WeakPolarHBondContact O-CE 3.3Å; N596-K600 VanDerWaalsContact O-CG 3.31Å; N596-K600 WeakPolarHBondContact O-CG 3.35Å; N596-K600 PolarHBondContact O-N 3.27Å; N596-K600 VanDerWaalsContact O-N 3.17Å
597	E	82.2	Confident	79	Confident	76 Å²	76	72.8 Å²	72.8	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-79.2	-40	178.6	-157.8	59.4	-143.7	0	0	112.1	T593 Q594 E595 L599 K600 Q601	T593-E597 PolarHBondContact O-N 2.89Å; Q594-E597 PolarHBondContact O-N 3.43Å; Q594-E597 VanDerWaalsContact O-N 3.14Å; E595-E597 VanDerWaalsContact C-N 3.26Å; E595-E597 PolarHBondContact O-N 3Å; E597-L599 VanDerWaalsContact C-N 3.25Å; E597-L599 PolarHBondContact O-N 2.94Å; E597-K600 PolarHBondContact O-N 2.95Å; E597-K600 WeakPolarHBondContact OE2-CD 3.23Å; E597-K600 WeakPolarHBondContact OE2-CE 3.28Å; E597-K600 IonicContact OE2-NZ 3.69Å; E597-K600 PolarHBondContact OE2-NZ 3.32Å; E597-Q601 WeakPolarHBondContact O-CG 3.19Å; E597-Q601 PolarHBondContact O-N 3.29Å
598	I	81.7	Confident	79.5	Confident	64 Å²	64	70.8 Å²	70.8	33%	0.328	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-44.3	169.9	-66.1	164.1	0	0	0	109.9	Q594 E595 K600 Q601 I602	Q594-I598 HydrophobicContact CG-CD1 4.2Å; Q594-I598 WeakPolarHBondContact O-CG1 3.44Å; Q594-I598 PolarHBondContact O-N 3.02Å; E595-I598 PolarHBondContact O-N 3.47Å; I598-K600 PolarHBondContact O-N 3.48Å; I598-Q601 WeakPolarHBondContact O-CB 3.49Å; I598-Q601 PolarHBondContact O-N 2.87Å; I598-Q601 VanDerWaalsContact O-N 3.1Å; I598-I602 HydrophobicContact CG2-CD1 3.92Å; I598-I602 WeakPolarHBondContact O-CG1 3.4Å; I598-I602 PolarHBondContact O-N 3.09Å
599	L	81.1	Confident	79.8	Confident	16 Å²	16	69.2 Å²	69.2	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-43.6	178.5	-161.8	63.9	0	0	0	112.2	A559 T562 F582 F591 E595 E597 I602 I603	A559-L599 HydrophobicContact CB-CD1 4.21Å; T562-L599 HydrophobicContact CG2-CD1 4.27Å; T562-L599 HydrophobicContact CG2-CD2 3.93Å; T562-L599 HydrophobicContact CG2-CG 3.95Å; F582-L599 HydrophobicContact CE2-CD2 4.44Å; F582-L599 HydrophobicContact CZ-CD2 4.28Å; F591-L599 HydrophobicContact CD1-CD2 4.49Å; F591-L599 HydrophobicContact CE1-CD2 4.13Å; E595-L599 VanDerWaalsContact O-CB 3.24Å; E595-L599 WeakPolarHBondContact O-CB 3.26Å; E595-L599 PolarHBondContact O-N 3.3Å; E597-L599 VanDerWaalsContact C-N 3.25Å; E597-L599 PolarHBondContact O-N 2.94Å; L599-I602 PolarHBondContact O-N 3.39Å; L599-I603 WeakPolarHBondContact O-CD1 3.46Å; L599-I603 VanDerWaalsContact O-CG1 3.29Å; L599-I603 WeakPolarHBondContact O-CG1 3.41Å; L599-I603 PolarHBondContact O-N 2.91Å; L599-I603 VanDerWaalsContact O-N 3.12Å
600	K	83.2	Confident	80.4	Confident	104 Å²	104	67 Å²	67	45%	0.452	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-38.8	172.7	-70.5	169.9	-144.5	163.9	0	112.4	N596 E597 I598 I603 R604	N596-K600 WeakPolarHBondContact O-CE 3.3Å; N596-K600 VanDerWaalsContact O-CG 3.31Å; N596-K600 WeakPolarHBondContact O-CG 3.35Å; N596-K600 PolarHBondContact O-N 3.27Å; N596-K600 VanDerWaalsContact O-N 3.17Å; E597-K600 PolarHBondContact O-N 2.95Å; E597-K600 WeakPolarHBondContact OE2-CD 3.23Å; E597-K600 WeakPolarHBondContact OE2-CE 3.28Å; E597-K600 IonicContact OE2-NZ 3.69Å; E597-K600 PolarHBondContact OE2-NZ 3.32Å; I598-K600 PolarHBondContact O-N 3.48Å; K600-I603 PolarHBondContact O-N 3.07Å; K600-R604 WeakPolarHBondContact O-CB 3.48Å; K600-R604 PolarHBondContact O-N 3.46Å
601	Q	84.1	Confident	80.7	Confident	85 Å²	85	69.6 Å²	69.6	40%	0.397	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.2	-70.2	-175.9	24.6	0	0	111.7	E597 I598 I603 R604 Q605	E597-Q601 WeakPolarHBondContact O-CG 3.19Å; E597-Q601 PolarHBondContact O-N 3.29Å; I598-Q601 WeakPolarHBondContact O-CB 3.49Å; I598-Q601 PolarHBondContact O-N 2.87Å; I598-Q601 VanDerWaalsContact O-N 3.1Å; Q601-I603 PolarHBondContact O-N 2.99Å; Q601-R604 PolarHBondContact O-N 3.34Å; Q601-Q605 WeakPolarHBondContact O-CG 3.16Å; Q601-Q605 PolarHBondContact O-N 2.91Å
602	I	84.6	Confident	80.6	Confident	13 Å²	13	74 Å²	74	7%	0.067	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-44.7	175.6	-65.1	164.4	0	0	0	110.8	L452 A559 V563 I598 L599 Q605 D606	L452-I602 HydrophobicContact CD1-CD1 4.01Å; L452-I602 HydrophobicContact CD1-CG2 4.47Å; A559-I602 HydrophobicContact CB-CD1 4.34Å; V563-I602 HydrophobicContact CG2-CG2 3.68Å; I598-I602 HydrophobicContact CG2-CD1 3.92Å; I598-I602 WeakPolarHBondContact O-CG1 3.4Å; I598-I602 PolarHBondContact O-N 3.09Å; L599-I602 PolarHBondContact O-N 3.39Å; I602-Q605 PolarHBondContact O-N 2.96Å; I602-D606 WeakPolarHBondContact O-CB 3.4Å; I602-D606 PolarHBondContact O-N 3.15Å
603	I	85.3	Confident	79.9	Confident	31 Å²	31	69.4 Å²	69.4	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-41.1	176.4	-62.7	160.1	0	0	0	111.3	T562 V563 D566 L599 K600 Q601 D606 R607	T562-I603 HydrophobicContact CG2-CD1 3.72Å; V563-I603 HydrophobicContact CG2-CG1 4.41Å; D566-I603 HydrophobicContact CB-CG2 4.21Å; L599-I603 WeakPolarHBondContact O-CD1 3.46Å; L599-I603 VanDerWaalsContact O-CG1 3.29Å; L599-I603 WeakPolarHBondContact O-CG1 3.41Å; L599-I603 PolarHBondContact O-N 2.91Å; L599-I603 VanDerWaalsContact O-N 3.12Å; K600-I603 PolarHBondContact O-N 3.07Å; Q601-I603 PolarHBondContact O-N 2.99Å; I603-D606 PolarHBondContact O-N 3.45Å; I603-R607 WeakPolarHBondContact O-CB 3.33Å; I603-R607 WeakPolarHBondContact O-CG 3.46Å; I603-R607 PolarHBondContact O-N 3.05Å
604	R	85.7	Confident	79	Confident	141 Å²	141	67.6 Å²	67.6	53%	0.532	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-48.6	177.2	-173.8	-176.8	-61.4	155.2	5.4	110.8	K600 Q601 R607 E608	K600-R604 WeakPolarHBondContact O-CB 3.48Å; K600-R604 PolarHBondContact O-N 3.46Å; Q601-R604 PolarHBondContact O-N 3.34Å; R604-R607 PolarHBondContact O-N 3.01Å; R604-E608 VanDerWaalsContact CG-OE1 3.3Å; R604-E608 WeakPolarHBondContact CG-OE1 3.44Å; R604-E608 WeakPolarHBondContact O-CB 3.48Å; R604-E608 WeakPolarHBondContact O-CG 3.45Å; R604-E608 PolarHBondContact O-N 3.38Å
605	Q	83.1	Confident	77.8	Confident	71 Å²	71	69.8 Å²	69.8	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-37.2	178.8	-69.7	179.6	-12.9	0	0	112.3	P451 Q601 I602 E608 M609	P451-Q605 HydrophobicContact CB-CB 3.99Å; P451-Q605 VanDerWaalsContact CB-OE1 3.24Å; P451-Q605 HydrophobicContact CG-CB 3.55Å; Q601-Q605 WeakPolarHBondContact O-CG 3.16Å; Q601-Q605 PolarHBondContact O-N 2.91Å; I602-Q605 PolarHBondContact O-N 2.96Å; Q605-E608 PolarHBondContact O-N 3.4Å; Q605-M609 WeakPolarHBondContact O-CG 3.49Å; Q605-M609 PolarHBondContact O-N 2.85Å
606	D	86	Confident	76.4	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-37.6	173.2	-170.6	78.1	0	0	0	112.6	V563 R567 R570 I602 I603 V610	V563-D606 HydrophobicContact CG1-CB 4.46Å; R567-D606 IonicContact CZ-OD1 2.64Å; R567-D606 IonicContact CZ-OD2 2.68Å; R567-D606 IonicContact NE-OD1 2.74Å; R567-D606 PolarHBondContact NE-OD1 3.07Å; R567-D606 IonicContact NE-OD2 3.53Å; R567-D606 PolarHBondContact NE-OD2 3.02Å; R567-D606 IonicContact NH2-OD1 2.65Å; R567-D606 PolarHBondContact NH2-OD1 3.36Å; R567-D606 IonicContact NH2-OD2 3.35Å; R570-D606 IonicContact CZ-OD2 3.15Å; R570-D606 IonicContact NH1-OD2 2.78Å; R570-D606 PolarHBondContact NH1-OD2 3.15Å; R570-D606 IonicContact NH2-OD2 3.79Å; R570-D606 PolarHBondContact NH2-OD2 2.88Å; I602-D606 WeakPolarHBondContact O-CB 3.4Å; I602-D606 PolarHBondContact O-N 3.15Å; I603-D606 PolarHBondContact O-N 3.45Å; D606-V610 WeakPolarHBondContact O-CG2 3.32Å; D606-V610 PolarHBondContact O-N 2.93Å
607	R	85.8	Confident	74.7	Confident	116 Å²	116	78.4 Å²	78.4	44%	0.438	35%	0.354	S	S	.	.	H	α-helix	trans	-67.3	-40.1	172.5	-73.7	174.3	171.1	-147.8	3.6	111.9	D566 I603 R604 V610 M611	D566-R607 IonicContact OD1-CZ 2.68Å; D566-R607 VanDerWaalsContact OD1-CZ 3.26Å; D566-R607 IonicContact OD1-NE 3.22Å; D566-R607 PolarHBondContact OD1-NE 3.3Å; D566-R607 IonicContact OD1-NH2 3.41Å; D566-R607 PolarHBondContact OD1-NH2 2.91Å; D566-R607 IonicContact OD2-NE 3.31Å; D566-R607 PolarHBondContact OD2-NE 2.93Å; I603-R607 WeakPolarHBondContact O-CB 3.33Å; I603-R607 WeakPolarHBondContact O-CG 3.46Å; I603-R607 PolarHBondContact O-N 3.05Å; R604-R607 PolarHBondContact O-N 3.01Å; R607-V610 PolarHBondContact O-N 2.98Å; R607-M611 WeakPolarHBondContact O-CG 3.49Å; R607-M611 PolarHBondContact O-N 2.87Å
608	E	84.6	Confident	72.6	Confident	83 Å²	83	78.2 Å²	78.2	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-44.7	176	-75.9	170.3	-165.1	0	0	111.9	R604 Q605 V610 M611 M612	R604-E608 VanDerWaalsContact CG-OE1 3.3Å; R604-E608 WeakPolarHBondContact CG-OE1 3.44Å; R604-E608 WeakPolarHBondContact O-CB 3.48Å; R604-E608 WeakPolarHBondContact O-CG 3.45Å; R604-E608 PolarHBondContact O-N 3.38Å; Q605-E608 PolarHBondContact O-N 3.4Å; E608-V610 VanDerWaalsContact C-N 3.29Å; E608-V610 PolarHBondContact O-N 2.87Å; E608-M611 PolarHBondContact O-N 3.33Å; E608-M612 WeakPolarHBondContact O-CB 3.29Å; E608-M612 VanDerWaalsContact O-CG 3.28Å; E608-M612 WeakPolarHBondContact O-CG 3.4Å; E608-M612 PolarHBondContact O-N 3.26Å
609	M	81.2	Confident	70.8	Confident	35 Å²	35	80.7 Å²	80.7	17%	0.172	38%	0.379	C	S	.	.	H	α-helix	trans	-56.6	-41.7	176.1	-75.3	-163.6	-59	0	0	112.2	P451 Q605	P451-M609 HydrophobicContact CG-CE 3.94Å; P451-M609 HydrophobicContact CG-SD 4.33Å; Q605-M609 WeakPolarHBondContact O-CG 3.49Å; Q605-M609 PolarHBondContact O-N 2.85Å
610	V	81.1	Confident	68.9	Low	16 Å²	16	85.1 Å²	85.1	10%	0.097	41%	0.406	C	S	.	.	H	α-helix	trans	-66.8	-51.9	175.3	177.3	0	0	0	0	111.2	L509 D606 R607 E608 M612 V613	L509-V610 HydrophobicContact CD2-CG2 3.77Å; D606-V610 WeakPolarHBondContact O-CG2 3.32Å; D606-V610 PolarHBondContact O-N 2.93Å; R607-V610 PolarHBondContact O-N 2.98Å; E608-V610 VanDerWaalsContact C-N 3.29Å; E608-V610 PolarHBondContact O-N 2.87Å; V610-M612 VanDerWaalsContact C-N 3.3Å; V610-M612 PolarHBondContact O-N 3.26Å; V610-V613 PolarHBondContact O-N 3.11Å; V610-V613 VanDerWaalsContact O-N 3.17Å
611	M	74.8	Confident	66.7	Low	115 Å²	115	82.9 Å²	82.9	57%	0.567	41%	0.413	S	S	*	.	H	α-helix	trans	-70.2	-22	-175.4	-67.6	-170.4	-60.3	0	0	114	R607 E608 V613 D614 R615	R607-M611 WeakPolarHBondContact O-CG 3.49Å; R607-M611 PolarHBondContact O-N 2.87Å; E608-M611 PolarHBondContact O-N 3.33Å; M611-V613 PolarHBondContact O-N 3.04Å; M611-D614 PolarHBondContact O-N 3.03Å; M611-R615 PolarHBondContact O-N 3.22Å; M611-R615 VanDerWaalsContact O-N 3.09Å
612	M	64.6	Low	64.3	Low	113 Å²	113	86.1 Å²	86.1	56%	0.557	43%	0.43	S	S	*	.	H	α-helix	trans	-66	-25.7	173.1	-79.1	-167.6	-167.1	0	0	112.8	E608 V610 K616	E608-M612 WeakPolarHBondContact O-CB 3.29Å; E608-M612 VanDerWaalsContact O-CG 3.28Å; E608-M612 WeakPolarHBondContact O-CG 3.4Å; E608-M612 PolarHBondContact O-N 3.26Å; V610-M612 VanDerWaalsContact C-N 3.3Å; V610-M612 PolarHBondContact O-N 3.26Å; M612-K616 WeakPolarHBondContact O-CB 3.31Å; M612-K616 WeakPolarHBondContact O-CG 3.46Å; M612-K616 PolarHBondContact O-N 3.33Å; M612-K616 VanDerWaalsContact O-N 3.07Å
613	V	60.7	Low	62.1	Low	15 Å²	15	93.3 Å²	93.3	9%	0.091	47%	0.469	C	S	.	.	H	α-helix	trans	-70.3	-51	175.8	-168.6	0	0	0	0	110.1	K508 T510 V610 M611 R615 K616 Q617	K508-V613 HydrophobicContact CB-CB 4.43Å; K508-V613 HydrophobicContact CB-CG1 3.7Å; K508-V613 HydrophobicContact CD-CG1 4.43Å; T510-V613 HydrophobicContact CG2-CG1 4.21Å; T510-V613 HydrophobicContact CG2-CG2 3.76Å; V610-V613 PolarHBondContact O-N 3.11Å; V610-V613 VanDerWaalsContact O-N 3.17Å; M611-V613 PolarHBondContact O-N 3.04Å; V613-R615 VanDerWaalsContact C-N 3.27Å; V613-R615 PolarHBondContact O-N 3.21Å; V613-K616 PolarHBondContact O-N 3.49Å; V613-K616 VanDerWaalsContact O-N 3.14Å; V613-Q617 PolarHBondContact O-N 3.09Å; V613-Q617 VanDerWaalsContact O-N 3.07Å
614	D	57.2	Low	59.5	Low	89 Å²	89	96.8 Å²	96.8	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-55.5	-43.8	176.4	-59.8	-28.3	0	0	0	111.1	M611 Q617 S618	M611-D614 PolarHBondContact O-N 3.03Å; D614-Q617 PolarHBondContact O-N 3.35Å; D614-S618 PolarHBondContact O-N 3.21Å
615	R	50.5	Low	56.9	Low	198 Å²	198	96.4 Å²	96.4	75%	0.747	51%	0.509	S	S	*	.	H	α-helix	trans	-67.5	-36.6	179.1	-166.1	174.8	-177.7	-174	0.5	113.2	M611 V613 S618 V619	M611-R615 PolarHBondContact O-N 3.22Å; M611-R615 VanDerWaalsContact O-N 3.09Å; V613-R615 VanDerWaalsContact C-N 3.27Å; V613-R615 PolarHBondContact O-N 3.21Å; R615-S618 PolarHBondContact O-N 2.76Å; R615-V619 PolarHBondContact O-N 3.16Å
616	K	47.6	Very low	54.7	Low	160 Å²	160	99.2 Å²	99.2	70%	0.696	53%	0.533	S	S	*	.	H	α-helix	trans	-68.1	-36.1	175.1	-82	-179.6	177.3	177	0	112.4	M612 V613 T620	M612-K616 WeakPolarHBondContact O-CB 3.31Å; M612-K616 WeakPolarHBondContact O-CG 3.46Å; M612-K616 PolarHBondContact O-N 3.33Å; M612-K616 VanDerWaalsContact O-N 3.07Å; V613-K616 PolarHBondContact O-N 3.49Å; V613-K616 VanDerWaalsContact O-N 3.14Å; K616-T620 PolarHBondContact O-N 3.42Å; K616-T620 PolarHBondContact O-OG1 3.1Å
617	Q	44.3	Very low	52	Low	102 Å²	102	107.6 Å²	107.6	48%	0.477	57%	0.574	S	S	.	*	H	α-helix	trans	-71.1	-37.1	174.3	-67.3	-160.3	-90.2	0	0	112.4	V613 D614 V619 T620 G621	V613-Q617 PolarHBondContact O-N 3.09Å; V613-Q617 VanDerWaalsContact O-N 3.07Å; D614-Q617 PolarHBondContact O-N 3.35Å; Q617-V619 VanDerWaalsContact C-N 3.26Å; Q617-V619 PolarHBondContact O-N 3.03Å; Q617-T620 PolarHBondContact O-N 2.83Å; Q617-T620 PolarHBondContact O-OG1 2.93Å; Q617-G621 PolarHBondContact O-N 2.89Å
618	S	38.5	Very low	49.3	Very low	72 Å²	72	108 Å²	108	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-58.2	-34.9	175.7	-174.4	0	0	0	0	113.5	D614 R615	D614-S618 PolarHBondContact O-N 3.21Å; R615-S618 PolarHBondContact O-N 2.76Å
619	V	42.9	Very low	46.6	Very low	115 Å²	115	107.1 Å²	107.1	70%	0.697	61%	0.609	S	S	*	*	H	α-helix	trans	-79.1	-29.5	178.4	177.4	0	0	0	0	113	R615 Q617	R615-V619 PolarHBondContact O-N 3.16Å; Q617-V619 VanDerWaalsContact C-N 3.26Å; Q617-V619 PolarHBondContact O-N 3.03Å
620	T	41.4	Very low	44.1	Very low	109 Å²	109	113 Å²	113	67%	0.669	64%	0.641	S	S	*	*	H	α-helix	trans	-86.2	-20.8	177.2	39.7	0	0	0	0	113.4	K616 Q617 M622	K616-T620 PolarHBondContact O-N 3.42Å; K616-T620 PolarHBondContact O-OG1 3.1Å; Q617-T620 PolarHBondContact O-N 2.83Å; Q617-T620 PolarHBondContact O-OG1 2.93Å; T620-M622 VanDerWaalsContact C-N 3.35Å; T620-M622 PolarHBondContact O-N 3Å
621	G	36.1	Very low	41.6	Very low	57 Å²	57	117 Å²	117	59%	0.588	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-0.3	-179.4	0	0	0	0	0	116.7	Q617	Q617-G621 PolarHBondContact O-N 2.89Å
622	M	34.6	Very low	39.5	Very low	154 Å²	154	118.3 Å²	118.3	76%	0.759	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-4	-173.4	-75.9	-171.4	166.2	0	0	115.8	T620	T620-M622 VanDerWaalsContact C-N 3.35Å; T620-M622 PolarHBondContact O-N 3Å
623	N	37.5	Very low	37.9	Very low	164 Å²	164	119.9 Å²	119.9	88%	0.877	69%	0.686	S	S	*	*	S	Bend	trans	-127	73.7	178.2	-90.2	-15.5	0	0	0	112.1
624	S	31.7	Very low	36.4	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	72%	0.721	S	S	*	*			trans	-153	100.9	166.2	61.9	0	0	0	0	112.3
625	T	31.4	Very low	34.9	Very low	133 Å²	133	127 Å²	127	82%	0.816	73%	0.731	S	S	*	*			trans	-76	143.6	161.5	35.8	0	0	0	0	110.2	M627	T625-M627 PolarHBondContact O-N 3.13Å
626	P	37	Very low	34	Very low	130 Å²	130	123.8 Å²	123.8	84%	0.844	74%	0.737	S	S	*	*			trans	-80.5	112.4	176.4	31.2	-32.2	0	0	0	110.6
627	M	27.9	Very low	33.1	Very low	180 Å²	180	120.8 Å²	120.8	89%	0.887	74%	0.741	S	S	*	*			trans	-110.8	131.2	162.1	-90.6	-165.2	69	0	0	111	T625	T625-M627 PolarHBondContact O-N 3.13Å
628	S	29.4	Very low	32.4	Very low	125 Å²	125	124.1 Å²	124.1	87%	0.874	76%	0.757	S	S	*	*			trans	-86	140.9	170	-179.2	0	0	0	0	110
629	G	27.5	Very low	32	Very low	65 Å²	65	126.4 Å²	126.4	67%	0.67	77%	0.77	S	S	*	*			trans	145.8	110.8	168.3	0	0	0	0	0	115.4
630	N	30.3	Very low	31.4	Very low	158 Å²	158	126.4 Å²	126.4	85%	0.845	77%	0.772	S	S	*	*			trans	-4.1	134.5	153.9	-47	-17.4	0	0	0	116.6
631	S	28.1	Very low	30.8	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	79%	0.786	S	S	*	*				-174.5	146.3	60.8	-96.9	0	0	0	0	115.5
632	I	30.4	Very low	30.3	Very low	143 Å²	143	134.9 Å²	134.9	73%	0.733	79%	0.792	S	S	*	*			trans	64	105.2	134.6	-57	171.1	0	0	0	120.4
633	I	30.4	Very low	30	Very low	145 Å²	145	134.6 Å²	134.6	74%	0.744	80%	0.799	S	S	*	*				39.2	114	127.5	-49.8	168.9	0	0	0	119
634	N	29.3	Very low	29.5	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	80%	0.795	S	S	*	*				-163.2	165.5	109.5	-127.8	-31.2	0	0	0	114.9
635	S	27.1	Very low	29.2	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	81%	0.808	S	S	*	*			trans	-88.1	149.9	-177.1	-51.7	0	0	0	0	113.2	A637	S635-A637 PolarHBondContact O-N 2.84Å
636	P	30.9	Very low	28.9	Very low	132 Å²	132	134.4 Å²	134.4	86%	0.857	81%	0.805	S	S	*	*			trans	-78.7	102.8	167.1	31.7	-31.3	0	0	0	110.8
637	A	28.8	Very low	28.3	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	81%	0.808	S	S	*	*			trans	-77.2	176.7	163.3	0	0	0	0	0	111.3	S635	S635-A637 PolarHBondContact O-N 2.84Å
638	Q	30	Very low	28.3	Very low	173 Å²	173	129.8 Å²	129.8	81%	0.808	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-57.3	151.6	-172.8	-64.6	-178.8	-37	0	0	114.6
639	P	28.6	Very low	28.1	Very low	120 Å²	120	133 Å²	133	78%	0.779	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.7	126.9	173.2	28.9	-34.2	0	0	0	111.2
640	P	30.9	Very low	28.1	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79	134.7	174	31	-32.9	0	0	0	111.5
641	Y	28.6	Very low	27.9	Very low	243 Å²	243	138 Å²	138	95%	0.953	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.6	125.7	155.7	-81.1	-102.5	0	0	0	108.6
642	S	26	Very low	27.8	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	82%	0.823	S	S	*	*			trans	-149.9	105.7	166.3	60.1	0	0	0	0	111.8
643	T	28	Very low	27.4	Very low	148 Å²	148	141 Å²	141	91%	0.908	82%	0.824	S	S	*	*			trans	-65.1	132.4	158.4	46.2	0	0	0	0	110.1
644	A	27.2	Very low	27.1	Very low	96 Å²	96	139.1 Å²	139.1	79%	0.793	82%	0.824	S	S	*	*			trans	-146.9	122	163.8	0	0	0	0	0	110.5
645	F	24.7	Very low	26.8	Very low	226 Å²	226	138 Å²	138	99%	0.991	82%	0.823	S	S	*	*			trans	-73.7	139	158.7	-89.5	-108.3	0	0	0	108.5
646	G	25.8	Very low	27	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	82%	0.824	S	S	*	*			trans	-138.4	118.8	169.9	0	0	0	0	0	109.1
647	A	25.3	Very low	26.7	Very low	110 Å²	110	139.1 Å²	139.1	91%	0.909	82%	0.817	S	S	*	*			trans	-83.2	140.9	-178	0	0	0	0	0	111.4
648	A	27.1	Very low	26.5	Very low	102 Å²	102	139.3 Å²	139.3	84%	0.843	81%	0.808	S	S	*	*			trans	-131.8	117.9	165.2	0	0	0	0	0	108.5
649	Q	25.7	Very low	26.3	Very low	192 Å²	192	141.1 Å²	141.1	90%	0.897	81%	0.809	S	S	*	*			trans	-77.4	146.1	166.2	-64.9	168.8	-89.6	0	0	109
650	L	26.5	Very low	26.1	Very low	152 Å²	152	140.5 Å²	140.5	80%	0.796	81%	0.807	S	S	*	*			trans	-168.2	129.9	132.3	-103.3	162.5	0	0	0	111.8
651	Q	26.3	Very low	25.9	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	81%	0.81	S	S	*	*			trans	15.7	130	163.8	-74.9	160.7	-84.2	0	0	122
652	Q	26.4	Very low	25.9	Very low	199 Å²	199	133.7 Å²	133.7	93%	0.93	80%	0.804	S	S	*	*			trans	-127.3	154.2	151.2	-80.6	-172.5	-18.9	0	0	110.4
653	S	22.1	Very low	26	Very low	107 Å²	107	133 Å²	133	75%	0.748	80%	0.804	S	S	*	*			trans	-152.4	137.5	179.3	53.4	0	0	0	0	111.5
654	S	24.1	Very low	26	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	80%	0.801	S	S	*	*			trans	56.1	116.5	167.5	51.6	0	0	0	0	117.6
655	V	22.3	Very low	25.9	Very low	131 Å²	131	132.9 Å²	132.9	79%	0.794	79%	0.794	S	S	*	*			cis	60.9	133.4	48.7	-172.3	0	0	0	0	111
656	P	32	Very low	26.1	Very low	112 Å²	112	129.6 Å²	129.6	73%	0.727	79%	0.787	S	S	*	*			cis	-94.1	-143	16.5	-4.7	29.6	0	0	0	114.3
657	M	23.7	Very low	26.2	Very low	143 Å²	143	130.5 Å²	130.5	70%	0.704	79%	0.787	S	S	*	*			cis	-150	-174.5	18.1	-126.6	-47.2	-90.1	0	0	113.2	Y659	M657-Y659 HydrophobicContact CE-CE2 4.45Å
658	T	24.6	Very low	26.3	Very low	100 Å²	100	130.1 Å²	130.1	61%	0.613	78%	0.778	S	S	*	*			trans	-141.5	139.4	-153.2	-49.2	0	0	0	0	114
659	Y	27.2	Very low	26.4	Very low	211 Å²	211	131.9 Å²	131.9	83%	0.827	78%	0.778	S	S	*	*			trans	-155.5	107.8	153.1	-80.1	-66.2	0	0	0	107.8	M657	M657-Y659 HydrophobicContact CE-CE2 4.45Å
660	S	24.7	Very low	26.4	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	77%	0.769	S	S	*	*				84.2	135.1	75.8	72	0	0	0	0	114
661	A	25.6	Very low	26.5	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	78%	0.775	S	S	*	*			trans	-128	-163.8	-162.5	0	0	0	0	0	114.1
662	S	28.2	Very low	26.5	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	78%	0.78	S	S	*	*			trans	93.3	146.5	174.3	80.3	0	0	0	0	117
663	A	27.9	Very low	26.7	Very low	86 Å²	86	130 Å²	130	71%	0.711	78%	0.776	S	S	*	*			cis	-172.5	-174	-20.4	0	0	0	0	0	111.4
664	I	27.8	Very low	28.1	Very low	165 Å²	165	130.2 Å²	130.2	85%	0.846	78%	0.775	S	S	*	*			trans	110.9	126.5	148.1	-60.2	176	0	0	0	119.8
665	A	26.4	Very low	28.3	Very low	78 Å²	78	131.6 Å²	131.6	65%	0.645	78%	0.779	S	S	*	*			trans	78.9	99.5	150.5	0	0	0	0	0	125.1
666	N	28.2	Very low	28.7	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	77%	0.774	S	S	*	*				61.7	125.5	110	-60.8	-2.4	0	0	0	125.3
667	A	28	Very low	28.6	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	78%	0.779	S	S	*	*				71	151.9	126.6	0	0	0	0	0	121.7
668	S	27.5	Very low	28.9	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	78%	0.781	S	S	*	*			cis	-172.8	173.1	-17.8	55.6	0	0	0	0	112.2
669	V	28.7	Very low	29.2	Very low	139 Å²	139	126.4 Å²	126.4	84%	0.842	79%	0.791	S	S	*	*			trans	59.6	156.1	169.7	-107.6	0	0	0	0	118
670	A	26.7	Very low	29.3	Very low	87 Å²	87	120.7 Å²	120.7	72%	0.719	79%	0.788	S	S	*	*			cis	-143.4	152.2	-6.5	0	0	0	0	0	107.7
671	R	28.8	Very low	29.6	Very low	240 Å²	240	120.6 Å²	120.6	91%	0.906	79%	0.794	S	S	*	*			cis	82.2	100.2	35.8	-163.6	-173	-165.7	-175.8	6.7	115.6
672	M	25.4	Very low	29.8	Very low	192 Å²	192	120.7 Å²	120.7	95%	0.946	79%	0.794	S	S	*	*			trans	-147.7	145.1	149.4	-96	-152.2	169.2	0	0	114
673	L	30.4	Very low	30	Very low	161 Å²	161	118.9 Å²	118.9	84%	0.843	79%	0.787	S	S	*	*			trans	-169.3	157.7	177.2	-105.6	173.2	0	0	0	103.9
674	P	52.2	Low	30.1	Very low	111 Å²	111	124.3 Å²	124.3	72%	0.721	80%	0.798	S	S	*	*				-161.6	-151.2	69.5	39.3	-13.2	0	0	0	115.8
675	V	28.3	Very low	30.2	Very low	135 Å²	135	120.4 Å²	120.4	82%	0.818	80%	0.797	S	S	*	*			trans	90.6	126.9	163.8	-173.1	0	0	0	0	116.8
676	A	30.1	Very low	30.2	Very low	84 Å²	84	120.6 Å²	120.6	69%	0.694	81%	0.807	S	S	*	*			cis	-167.7	165.8	-18.5	0	0	0	0	0	113.2
677	A	29.6	Very low	30.3	Very low	100 Å²	100	122.8 Å²	122.8	83%	0.826	81%	0.81	S	S	*	*			trans	69.3	149.3	150	0	0	0	0	0	121.1
678	A	30.8	Very low	31	Very low	92 Å²	92	124.1 Å²	124.1	76%	0.76	81%	0.81	S	S	*	*			cis	-169.8	165.3	-20.6	0	0	0	0	0	112.3
679	A	30.6	Very low	31.1	Very low	100 Å²	100	125 Å²	125	83%	0.826	81%	0.812	S	S	*	*			trans	69.4	147.7	158.4	0	0	0	0	0	119.6
680	A	29.8	Very low	31.1	Very low	92 Å²	92	124 Å²	124	76%	0.76	81%	0.811	S	S	*	*			cis	-165.1	159.7	-14.8	0	0	0	0	0	112.7
681	A	30	Very low	31.1	Very low	104 Å²	104	124.8 Å²	124.8	86%	0.86	81%	0.811	S	S	*	*			trans	61.2	160.9	157.1	0	0	0	0	0	119.1
682	A	30.7	Very low	31	Very low	96 Å²	96	121.1 Å²	121.1	79%	0.793	81%	0.809	S	S	*	*			cis	-179.8	159.4	-25.8	0	0	0	0	0	106.9
683	A	32.3	Very low	31.1	Very low	82 Å²	82	117.2 Å²	117.2	68%	0.678	80%	0.8	S	S	*	*			cis	-168.8	171.7	-21.8	0	0	0	0	0	109.3
684	Q	30.8	Very low	30.8	Very low	201 Å²	201	118.1 Å²	118.1	94%	0.939	80%	0.8	S	S	*	*			trans	70.8	146.8	169.7	-45	-176.5	43.6	0	0	117
685	G	28.6	Very low	29.5	Very low	82 Å²	82	118.6 Å²	118.6	85%	0.845	80%	0.8	S	S	*	*			cis	156.2	139.2	-11.2	0	0	0	0	0	113.2
686	G	25.8	Very low	29.4	Very low	82 Å²	82	118.7 Å²	118.7	85%	0.845	80%	0.796	S	S	*	*			trans	146.8	106	168.6	0	0	0	0	0	117.6
687	F	30.3	Very low	29.2	Very low	203 Å²	203	121 Å²	121	89%	0.89	80%	0.796	S	S	*	*			trans	-110.6	174.9	160.6	-88.5	-72.6	0	0	0	107.7
688	P	44.3	Very low	29.1	Very low	121 Å²	121	123.1 Å²	123.1	79%	0.786	79%	0.794	S	S	*	*			cis	-146.3	-151.1	29.9	44.4	-21.2	0	0	0	116.6
689	T	28.7	Very low	28.9	Very low	121 Å²	121	123.9 Å²	123.9	74%	0.742	79%	0.793	S	S	*	*			trans	-117.7	151.3	-159.5	54.2	0	0	0	0	115.3
690	S	29	Very low	28.7	Very low	118 Å²	118	124.1 Å²	124.1	83%	0.825	79%	0.789	S	S	*	*			trans	167.2	168.1	150.6	49.4	0	0	0	0	111.7
691	S	27.2	Very low	28.7	Very low	103 Å²	103	124.7 Å²	124.7	72%	0.72	79%	0.788	S	S	*	*			cis	-171.6	140.2	-42	58.6	0	0	0	0	112.7
692	L	27.1	Very low	28.6	Very low	164 Å²	164	127.9 Å²	127.9	86%	0.859	79%	0.785	S	S	*	*			trans	64.4	156.8	150	-117.1	72.8	0	0	0	123.7
693	S	26.9	Very low	28.5	Very low	109 Å²	109	129.7 Å²	129.7	76%	0.762	79%	0.786	S	S	*	*			trans	58.4	128.1	163.6	44.1	0	0	0	0	119.1
694	Q	23.9	Very low	28.3	Very low	181 Å²	181	129.8 Å²	129.8	85%	0.846	79%	0.787	S	S	*	*			cis	100.8	137.9	18.8	-158	-170.5	44.3	0	0	115.3
695	V	24.9	Very low	28.1	Very low	121 Å²	121	128.4 Å²	128.4	73%	0.733	79%	0.785	S	S	*	*			trans	79.6	104.2	177.2	-165.3	0	0	0	0	113.8
696	N	26	Very low	28	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	78%	0.78	S	S	*	*				71.6	126.7	69.3	-145.3	19.8	0	0	0	111.8
697	L	27.1	Very low	28.1	Very low	132 Å²	132	135.8 Å²	135.8	69%	0.691	78%	0.775	S	S	*	*				-160.9	161.7	57.9	-95	161.8	0	0	0	114.4
698	N	26.2	Very low	28	Very low	145 Å²	145	129.4 Å²	129.4	78%	0.775	77%	0.767	S	S	*	*			trans	65.2	133.4	162.6	-67	-9.6	0	0	0	118
699	S	27.3	Very low	27.3	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	76%	0.764	S	S	*	*			cis	-167.2	-175.8	-6.2	68.1	0	0	0	0	108.6
700	S	26.3	Very low	27.2	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	77%	0.767	S	S	*	*			cis	-156	-37.4	5.9	50.1	0	0	0	0	115.6	Q702	S700-Q702 PolarHBondContact O-N 3.4Å
701	S	28.7	Very low	27.1	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	76%	0.763	S	S	*	*			trans	-96.6	102.1	-148.5	58	0	0	0	0	116.9
702	Q	28.4	Very low	27.1	Very low	170 Å²	170	131.1 Å²	131.1	79%	0.794	76%	0.763	S	S	*	*			trans	53.1	113.4	135.3	-65.6	-178.3	-15.9	0	0	121.8	S700	S700-Q702 PolarHBondContact O-N 3.4Å
703	T	28.3	Very low	27.5	Very low	135 Å²	135	129.1 Å²	129.1	83%	0.828	76%	0.76	S	S	*	*			trans	58.5	134.9	136.1	56.9	0	0	0	0	121.6
704	A	28.3	Very low	27.3	Very low	84 Å²	84	129.4 Å²	129.4	69%	0.694	76%	0.761	S	S	*	*			cis	-163.2	151.1	-12.3	0	0	0	0	0	111.5
705	L	25.8	Very low	27.4	Very low	172 Å²	172	125.8 Å²	125.8	90%	0.901	76%	0.756	S	S	*	*			trans	57.3	89.4	160.2	-66.1	168.9	0	0	0	119.2
706	Q	28.4	Very low	27.4	Very low	159 Å²	159	128.8 Å²	128.8	74%	0.743	76%	0.759	S	S	*	*			trans	-65.8	176.6	143.1	-72.5	174.7	-42.2	0	0	110.7
707	Q	27.7	Very low	27.4	Very low	159 Å²	159	128.2 Å²	128.2	74%	0.743	76%	0.761	S	S	*	*			cis	-154.3	176.6	9.7	-124.7	135.3	13.1	0	0	106
708	G	26.6	Very low	27.4	Very low	70 Å²	70	127.1 Å²	127.1	72%	0.722	77%	0.771	S	S	*	*			cis	90.3	134	25.2	0	0	0	0	0	112.3
709	A	29.8	Very low	27.5	Very low	87 Å²	87	125 Å²	125	72%	0.719	77%	0.773	S	S	*	*			cis	-167.8	147.5	-23.2	0	0	0	0	0	109.8
710	I	28.2	Very low	27.5	Very low	158 Å²	158	129 Å²	129	81%	0.81	78%	0.783	S	S	*	*			trans	59.7	149.6	164.9	7.4	-179.7	0	0	0	117.7
711	M	25.7	Very low	27.5	Very low	150 Å²	150	130.2 Å²	130.2	74%	0.739	79%	0.79	S	S	*	*			cis	-147.2	147.2	13.9	-84.6	-105	58.2	0	0	113.1
712	S	28.6	Very low	27.5	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	79%	0.794	S	S	*	*			trans	61.4	165.9	152.4	-81.6	0	0	0	0	120.5
713	P	34.3	Very low	27.6	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	79%	0.792	S	S	*	*			cis	-122.9	-162.3	4.8	43.1	-27.9	0	0	0	115.4
714	C	23.9	Very low	27.9	Very low	115 Å²	115	127.9 Å²	127.9	78%	0.777	79%	0.792	S	S	*	*			trans	-66.5	154.9	-170.6	-45.4	0	0	0	0	116.5
715	S	24.3	Very low	27.9	Very low	104 Å²	104	130 Å²	130	73%	0.727	80%	0.795	S	S	*	*				165.9	164.5	103.6	-68.5	0	0	0	0	115.8
716	F	25.2	Very low	28	Very low	184 Å²	184	131 Å²	131	81%	0.807	80%	0.796	S	S	*	*			trans	73.6	121.3	152	-84.8	-71.5	0	0	0	123.6
717	T	25.3	Very low	28.1	Very low	126 Å²	126	128.6 Å²	128.6	77%	0.773	79%	0.792	S	S	*	*			trans	35.2	118.2	144	48	0	0	0	0	121.2
718	A	28	Very low	28.4	Very low	109 Å²	109	127.3 Å²	127.3	90%	0.901	80%	0.798	S	S	*	*			trans	-89.5	130.5	157.4	0	0	0	0	0	111.3
719	A	28.1	Very low	28.5	Very low	100 Å²	100	132 Å²	132	83%	0.826	81%	0.805	S	S	*	*			trans	-112.6	150.7	165.4	0	0	0	0	0	109.7
720	M	27.8	Very low	28.5	Very low	191 Å²	191	132.6 Å²	132.6	94%	0.941	81%	0.81	S	S	*	*			trans	-74.1	130.5	-176.3	-70.9	-92	-79.2	0	0	112.2
721	C	26.5	Very low	28.4	Very low	132 Å²	132	129.8 Å²	129.8	89%	0.892	80%	0.804	S	S	*	*			trans	-159.6	146	156.2	-125.5	0	0	0	0	111.2
722	S	27.8	Very low	28.5	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-98	148.7	-174.9	-55.6	0	0	0	0	112.7
723	P	31.7	Very low	28.3	Very low	118 Å²	118	134 Å²	134	77%	0.766	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.3	157.2	173.6	34	-34.9	0	0	0	113
724	P	33.1	Very low	27.8	Very low	125 Å²	125	137.9 Å²	137.9	81%	0.812	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-88.9	166.3	-176.2	36.2	-36.8	0	0	0	114.4
725	V	28.5	Very low	27.8	Very low	128 Å²	128	141.6 Å²	141.6	78%	0.776	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-99.8	143.4	174.3	174.9	0	0	0	0	110.8	T727	V725-T727 HydrophobicContact CG1-CG2 4.06Å
726	Q	28.6	Very low	27.9	Very low	194 Å²	194	147.9 Å²	147.9	91%	0.907	83%	0.834	S	S	*	*			trans	-129.8	143.6	160.9	-73.7	-170.7	-10.1	0	0	110.6
727	T	31.1	Very low	27.8	Very low	109 Å²	109	142.9 Å²	142.9	67%	0.669	83%	0.834	S	S	*	*			trans	-138.7	135.3	-178.1	51.4	0	0	0	0	111.1	V725	V725-T727 HydrophobicContact CG1-CG2 4.06Å
728	P	34	Very low	27.7	Very low	132 Å²	132	142.5 Å²	142.5	86%	0.857	84%	0.837	S	S	*	*			trans	-86.4	155.3	165.3	33.8	-31.6	0	0	0	112.3
729	L	28.6	Very low	28.4	Very low	168 Å²	168	142.1 Å²	142.1	88%	0.88	83%	0.825	S	S	*	*			trans	-99	145.3	-175.4	-89.5	68.8	0	0	0	113.8
730	A	28.9	Very low	28.3	Very low	99 Å²	99	143.3 Å²	143.3	82%	0.818	82%	0.822	S	S	*	*			trans	179.8	144.5	137.8	0	0	0	0	0	110.4
731	S	26	Very low	28.3	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	81%	0.811	S	S	*	*			cis	-166.1	172.8	-16	63	0	0	0	0	110.9
732	R	27.3	Very low	28.4	Very low	227 Å²	227	137.1 Å²	137.1	86%	0.857	80%	0.804	S	S	*	*			trans	78.7	94.8	159.9	-65.5	-177.7	-177.5	-147.5	-2	121.4
733	S	25.2	Very low	28.4	Very low	115 Å²	115	140 Å²	140	80%	0.804	81%	0.805	S	S	*	*				59.2	129.2	122.1	57.6	0	0	0	0	123.1
734	F	24.6	Very low	28.1	Very low	204 Å²	204	141.5 Å²	141.5	90%	0.895	81%	0.806	S	S	*	*			trans	-71.4	162.8	169.4	-84	-105.2	0	0	0	115.1
735	Q	22.9	Very low	27.7	Very low	194 Å²	194	139.5 Å²	139.5	91%	0.907	80%	0.795	S	S	*	*			trans	-144.2	157.3	144.1	-151.5	159.2	5.5	0	0	111.9
736	Y	26	Very low	27.6	Very low	236 Å²	236	141 Å²	141	93%	0.925	80%	0.798	S	S	*	*			trans	-90.2	156.3	-172.9	-106.8	-112.6	0	0	0	112.9
737	G	23.6	Very low	27.6	Very low	79 Å²	79	138.6 Å²	138.6	81%	0.814	79%	0.79	S	S	*	*			trans	169.6	135	162.7	0	0	0	0	0	117.4
738	S	24.1	Very low	27.4	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	80%	0.795	S	S	*	*			trans	-139.3	178.5	159.6	72.5	0	0	0	0	106.9
739	P	41.9	Very low	27.3	Very low	102 Å²	102	143.4 Å²	143.4	66%	0.662	79%	0.793	S	S	*	*			cis	-137.8	-160.9	-1	34.9	-11	0	0	0	113.8
740	T	26.3	Very low	28.1	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	78%	0.784	S	S	*	*			trans	57.2	105.6	149.9	45.8	0	0	0	0	123
741	A	27.3	Very low	28.1	Very low	86 Å²	86	143.8 Å²	143.8	71%	0.711	79%	0.786	S	S	*	*				63.6	121.7	111.4	0	0	0	0	0	124
742	S	29.2	Very low	28.1	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	79%	0.79	S	S	*	*			trans	94.5	146.3	138.3	-53.3	0	0	0	0	122
743	Q	27.6	Very low	28.2	Very low	177 Å²	177	140.8 Å²	140.8	83%	0.827	79%	0.791	S	S	*	*			trans	75.6	150.7	162.7	-51.3	-155.4	3.9	0	0	117.4
744	L	24.9	Very low	29.3	Very low	149 Å²	149	140.9 Å²	140.9	78%	0.78	79%	0.789	S	S	*	*			cis	-148.5	-179.1	-12.4	-144.1	67.4	0	0	0	112.2
745	S	24.7	Very low	29.5	Very low	84 Å²	84	136.2 Å²	136.2	59%	0.587	78%	0.782	S	S	*	*			trans	-70.3	157	-168	57.3	0	0	0	0	122
746	L	27.4	Very low	29.8	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	78%	0.778	S	S	*	*			trans	81.5	158.5	133.1	-92.7	158.7	0	0	0	123.1
747	I	28.2	Very low	31	Very low	143 Å²	143	128.1 Å²	128.1	73%	0.733	77%	0.766	S	S	*	*			trans	77.3	134.9	166	-73.1	165	0	0	0	116.8
748	Q	27.5	Very low	31.4	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	76%	0.763	S	S	*	*			cis	-162.8	169.5	-14.1	-179.4	158.9	-24.4	0	0	112.7
749	Q	30.9	Very low	31.6	Very low	174 Å²	174	132.1 Å²	132.1	81%	0.813	76%	0.759	S	S	*	*			trans	-54.8	179.1	173.1	-91	-172.8	-2.3	0	0	117.2
750	P	46	Very low	31	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	76%	0.76	S	S	*	*			cis	-123.6	-153.6	11.8	20.7	7.2	0	0	0	113.1
751	I	28.9	Very low	31.2	Very low	170 Å²	170	134.8 Å²	134.8	87%	0.872	75%	0.754	S	S	*	*			cis	-156.4	166	13	-12.3	174.1	0	0	0	111.2
752	G	26.4	Very low	31.4	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	75%	0.751	S	S	*	*			trans	132.7	129.7	152.7	0	0	0	0	0	117.9
753	Q	28.1	Very low	31.6	Very low	188 Å²	188	139 Å²	139	88%	0.879	75%	0.747	S	S	*	*			trans	-153	166	175.3	-127.1	-165	7.9	0	0	110.3
754	P	49.1	Very low	31.6	Very low	116 Å²	116	138.2 Å²	138.2	75%	0.753	75%	0.747	S	S	*	*				-126.3	-150.6	53.6	36	-15.3	0	0	0	111.7
755	S	27.8	Very low	31.8	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	74%	0.744	S	S	*	*			cis	-155.2	-178.8	6.3	62.5	0	0	0	0	112.4
756	L	30.3	Very low	32	Very low	156 Å²	156	140.1 Å²	140.1	82%	0.817	76%	0.762	S	S	*	*			trans	-163.3	166.4	176.3	-119.1	164.6	0	0	0	110.4
757	P	51.6	Low	32.1	Very low	104 Å²	104	141.5 Å²	141.5	68%	0.675	76%	0.764	S	S	*	*				-156.2	148.4	96	39.9	-20.6	0	0	0	119.2
758	T	30.6	Very low	33.1	Very low	125 Å²	125	140.2 Å²	140.2	77%	0.767	77%	0.765	S	S	*	*			trans	63.9	153.9	149.1	48.2	0	0	0	0	120.4
759	Q	29.3	Very low	33.2	Very low	155 Å²	155	136.6 Å²	136.6	72%	0.724	76%	0.764	S	S	*	*			cis	-151.8	144.3	15.2	-149.8	171.6	-4.9	0	0	113.4
760	Q	29.5	Very low	33.2	Very low	145 Å²	145	132.6 Å²	132.6	68%	0.678	76%	0.76	S	S	*	*			trans	39.9	148.4	149.8	-71.9	176.6	-86.5	0	0	123
761	Q	30.2	Very low	32.4	Very low	136 Å²	136	132.3 Å²	132.3	64%	0.636	76%	0.761	S	S	*	*			cis	-168.6	154.8	-13.3	-178.3	157.7	9.1	0	0	112.3
762	Q	31.7	Very low	32.4	Very low	140 Å²	140	130.8 Å²	130.8	65%	0.654	76%	0.76	S	S	*	*			trans	-10	159.2	161	-64.4	164.2	-85.7	0	0	121.4
763	Q	32.2	Very low	32.5	Very low	141 Å²	141	131.3 Å²	131.3	66%	0.659	76%	0.757	S	S	*	*			cis	-167.9	166.3	-7.8	-116.8	175.1	-59.4	0	0	112.8
764	L	28.9	Very low	32.7	Very low	161 Å²	161	127.4 Å²	127.4	84%	0.843	76%	0.756	S	S	*	*			trans	30.9	141.9	149.2	-99.6	71.1	0	0	0	123.1
765	G	28.1	Very low	31.9	Very low	69 Å²	69	126.5 Å²	126.5	71%	0.711	76%	0.759	S	S	*	*			trans	146.1	85.4	130.8	0	0	0	0	0	121.7
766	Q	29.9	Very low	32.3	Very low	205 Å²	205	125.6 Å²	125.6	96%	0.958	76%	0.757	S	S	*	*			trans	58.8	170.2	141.7	-67.2	-179.6	-11.5	0	0	122.5
767	Q	28.8	Very low	32.7	Very low	189 Å²	189	123.5 Å²	123.5	88%	0.883	76%	0.756	S	S	*	*			trans	-102.5	-172.6	176.2	-49.6	171	-52.4	0	0	108.9
768	P	49	Very low	31.8	Very low	116 Å²	116	123.7 Å²	123.7	75%	0.753	77%	0.766	S	S	*	*			cis	-140.7	-176.8	-1.4	43.7	-24.8	0	0	0	116.6
769	A	29.3	Very low	31.9	Very low	92 Å²	92	122.3 Å²	122.3	76%	0.76	77%	0.768	S	S	*	*			trans	52.9	116.4	142.3	0	0	0	0	0	124.3
770	A	31.4	Very low	32.1	Very low	89 Å²	89	122.9 Å²	122.9	74%	0.736	77%	0.77	S	S	*	*				85.4	134.5	122	0	0	0	0	0	124.6
771	S	29.9	Very low	32.5	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	77%	0.77	S	S	*	*			trans	86.7	121.3	140.8	68.9	0	0	0	0	123.2
772	T	27.7	Very low	32.6	Very low	139 Å²	139	124 Å²	124	85%	0.853	78%	0.775	S	S	*	*			trans	61	151.8	140.3	52.9	0	0	0	0	121.7
773	A	30.1	Very low	32.7	Very low	86 Å²	86	123.3 Å²	123.3	71%	0.711	78%	0.781	S	S	*	*			cis	-172.6	160.9	-21.8	0	0	0	0	0	110.6
774	A	31	Very low	33.6	Very low	105 Å²	105	122.7 Å²	122.7	87%	0.868	79%	0.789	S	S	*	*			trans	64	147	165.3	0	0	0	0	0	118
775	A	33.1	Very low	33.7	Very low	98 Å²	98	120.2 Å²	120.2	81%	0.81	79%	0.785	S	S	*	*			cis	-155.4	-144	-17.3	0	0	0	0	0	106.9
776	A	36.1	Very low	34.5	Very low	87 Å²	87	123.4 Å²	123.4	72%	0.719	79%	0.793	S	S	*	*			cis	-168.7	167.7	-3.6	0	0	0	0	0	108
777	S	37.6	Very low	34.4	Very low	113 Å²	113	121.9 Å²	121.9	79%	0.79	79%	0.786	S	S	*	*			cis	-176.7	97.6	-43.9	52.3	0	0	0	0	110.5
778	A	33.7	Very low	34.3	Very low	107 Å²	107	124 Å²	124	88%	0.884	79%	0.786	S	S	*	*			trans	-151.1	146.7	171.1	0	0	0	0	0	110.8
779	A	31.7	Very low	33.1	Very low	97 Å²	97	121.9 Å²	121.9	80%	0.802	79%	0.785	S	S	*	*			cis	-139.3	-170.6	9.4	0	0	0	0	0	114.1
780	Q	33.7	Very low	33	Very low	166 Å²	166	124.7 Å²	124.7	78%	0.776	79%	0.788	S	S	*	*			trans	-83.4	175.4	-163.7	-55.7	168.3	-93.3	0	0	114.2
781	Q	38.2	Very low	32.8	Very low	143 Å²	143	128.1 Å²	128.1	67%	0.668	79%	0.792	S	S	*	*			cis	-172.8	175.4	-20.3	-99.1	166.5	-110.7	0	0	105.7
782	Q	32	Very low	32.8	Very low	161 Å²	161	130.7 Å²	130.7	75%	0.752	79%	0.793	S	S	*	*			cis	-158.3	-169.6	4.3	-145.6	168.2	-92.1	0	0	110.6
783	V	34.7	Very low	32.7	Very low	126 Å²	126	133.9 Å²	133.9	76%	0.764	80%	0.795	S	S	*	*			trans	-141.4	156.3	173.6	-72.1	0	0	0	0	113
784	P	52	Low	32.6	Very low	128 Å²	128	133.6 Å²	133.6	83%	0.831	79%	0.788	S	S	*	*				-145.9	-146.4	125.8	40.4	-23.7	0	0	0	114.6
785	S	30.9	Very low	32.6	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	79%	0.787	S	S	*	*			trans	-153.7	171.3	-175.3	-43.1	0	0	0	0	111.2
786	P	44.8	Very low	32.4	Very low	135 Å²	135	138.9 Å²	138.9	88%	0.877	79%	0.787	S	S	*	*				-156.3	-140.6	96.3	42.9	-21.1	0	0	0	116
787	Q	27.8	Very low	32.1	Very low	174 Å²	174	138.3 Å²	138.3	81%	0.813	78%	0.782	S	S	*	*			trans	-119.9	164.3	-156.5	-47.3	174.2	-40.1	0	0	116.5
788	R	26	Very low	31.7	Very low	232 Å²	232	140.4 Å²	140.4	88%	0.875	78%	0.784	S	S	*	*			trans	61.8	128.5	135.8	-169	-176.2	-164.3	171.5	4.8	121.1
789	G	24.4	Very low	31.4	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	78%	0.784	S	S	*	*			trans	172.2	141	161.2	0	0	0	0	0	115
790	D	26.3	Very low	31.3	Very low	151 Å²	151	145.3 Å²	145.3	81%	0.807	79%	0.785	S	S	*	*			trans	-100.4	168.2	-178.7	-55.3	-93.1	0	0	0	113.1
791	I	27.4	Very low	31.1	Very low	162 Å²	162	140.4 Å²	140.4	83%	0.831	78%	0.779	S	S	*	*				160.7	131.2	128.2	-81.4	160.2	0	0	0	115.4
792	H	29.7	Very low	30.7	Very low	153 Å²	153	139.2 Å²	139.2	71%	0.708	79%	0.787	S	S	*	*			trans	-25.8	148	167.8	-72.1	-106.9	0	0	0	123.4	S794	H792-S794 PolarHBondContact ND1-OG 3.45Å
793	K	26.3	Very low	30.6	Very low	205 Å²	205	138.5 Å²	138.5	89%	0.891	79%	0.788	S	S	*	*				-169.1	135	105.9	-98.3	166.2	-177.3	177	0	110.5
794	S	27.6	Very low	30.4	Very low	81 Å²	81	137.3 Å²	137.3	57%	0.566	79%	0.785	S	S	*	*			cis	107.4	153.5	5.7	-55.3	0	0	0	0	117	H792	H792-S794 PolarHBondContact ND1-OG 3.45Å
795	T	29.7	Very low	29.4	Very low	138 Å²	138	141.3 Å²	141.3	85%	0.847	78%	0.783	S	S	*	*			trans	82.2	140.1	-169.1	-34	0	0	0	0	112.1
796	Q	29.7	Very low	29.3	Very low	175 Å²	175	141.3 Å²	141.3	82%	0.818	77%	0.774	S	S	*	*			cis	-87.6	-173.1	0.4	-63.2	-173.7	25.5	0	0	111.8
797	A	29.4	Very low	28.6	Very low	75 Å²	75	139.8 Å²	139.8	62%	0.62	76%	0.763	S	S	*	*			cis	70.9	151.3	19.7	0	0	0	0	0	115.7
798	L	29.9	Very low	28.7	Very low	158 Å²	158	141.7 Å²	141.7	83%	0.827	76%	0.762	S	S	*	*			cis	-152	156.9	-19.2	-99.6	160.7	0	0	0	106.3
799	Q	27.3	Very low	28.8	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	76%	0.757	S	S	*	*			cis	-148.2	176.7	43.5	-71.2	-179.3	-31.3	0	0	113.9
800	S	30	Very low	28.9	Very low	120 Å²	120	142.4 Å²	142.4	84%	0.839	76%	0.76	S	S	*	*			trans	-95.6	167.9	178.7	50.5	0	0	0	0	114.3
801	G	27.9	Very low	28.9	Very low	63 Å²	63	140.6 Å²	140.6	65%	0.649	76%	0.759	S	S	*	*			cis	155.5	-177.3	-3.9	0	0	0	0	0	114
802	S	29.9	Very low	29.2	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	76%	0.761	S	S	*	*			trans	74.6	153.5	175.3	90.5	0	0	0	0	116.8
803	L	31	Very low	29.1	Very low	147 Å²	147	136.1 Å²	136.1	77%	0.77	77%	0.766	S	S	*	*			cis	-160.4	137.2	4	-137.9	169.4	0	0	0	111.6
804	S	29.7	Very low	29.4	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	76%	0.763	S	S	*	*			trans	60	155.8	164.7	-72.7	0	0	0	0	118.5
805	R	31.6	Very low	29.7	Very low	213 Å²	213	136.9 Å²	136.9	80%	0.804	78%	0.775	S	S	*	*			cis	-160.5	167.1	-4.3	-117.7	175.3	106.9	149.3	8.2	106.9
806	D	29	Very low	29.6	Very low	109 Å²	109	135.9 Å²	135.9	58%	0.583	77%	0.773	S	S	*	*			cis	-150.6	-161.9	0.2	-151.6	-15.9	0	0	0	110.8
807	V	29.5	Very low	29.5	Very low	104 Å²	104	135.3 Å²	135.3	63%	0.63	78%	0.775	S	S	*	*			trans	-137	154.5	-173.3	-150.9	0	0	0	0	108.7
808	R	30.6	Very low	30.3	Very low	214 Å²	214	136.6 Å²	136.6	81%	0.808	78%	0.777	S	S	*	*			cis	-156.4	173	30.4	-161.3	162	-145.4	101	4.8	113.7
809	H	28.3	Very low	30.3	Very low	165 Å²	165	137 Å²	137	76%	0.764	77%	0.774	S	S	*	*			trans	-65.3	169	167.3	-58.4	-133.1	0	0	0	114.4
810	L	26.1	Very low	30.2	Very low	154 Å²	154	135.3 Å²	135.3	81%	0.806	77%	0.771	S	S	*	*				176.9	124	112.9	-87.1	163	0	0	0	108.4
811	S	27.1	Very low	30.1	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	77%	0.767	S	S	*	*				79	140.9	78.6	-71.1	0	0	0	0	115.5
812	A	31.9	Very low	31	Very low	105 Å²	105	137.9 Å²	137.9	87%	0.868	77%	0.771	S	S	*	*			trans	-94.2	163.6	-158.5	0	0	0	0	0	116.5
813	S	29.6	Very low	31	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	78%	0.777	S	S	*	*			trans	-161.2	144.3	154.1	56.3	0	0	0	0	112.6
814	Q	32.1	Very low	30.8	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	77%	0.772	S	S	*	*			trans	-73.9	166.8	163.2	-64.5	175.8	-21.9	0	0	111.3
815	P	33.2	Very low	31.4	Very low	125 Å²	125	137.9 Å²	137.9	81%	0.812	78%	0.776	S	S	*	*			trans	-117.4	154.4	152.4	36.8	-27.8	0	0	0	113.3
816	S	27	Very low	31.2	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	78%	0.781	S	S	*	*			trans	-120.6	159	172.1	-64.3	0	0	0	0	110.8
817	L	27.7	Very low	31.1	Very low	164 Å²	164	138.2 Å²	138.2	86%	0.859	79%	0.787	S	S	*	*			trans	-77.8	174.9	168.3	-75.9	165	0	0	0	111.3
818	P	47.9	Very low	31.1	Very low	102 Å²	102	142 Å²	142	66%	0.662	80%	0.798	S	S	*	*			cis	-135.1	-174.9	-1.6	34	-12.5	0	0	0	116.1
819	H	28.5	Very low	31.8	Very low	165 Å²	165	137.5 Å²	137.5	76%	0.764	80%	0.796	S	S	*	*			trans	58	122.7	149.6	-87.4	-74.9	0	0	0	121.9
820	D	26.4	Very low	32	Very low	151 Å²	151	134 Å²	134	81%	0.807	80%	0.796	S	S	*	*				-171.4	175.6	96.6	-110.7	-20.9	0	0	0	114.7
821	T	27	Very low	32.2	Very low	124 Å²	124	131.8 Å²	131.8	76%	0.761	79%	0.794	S	S	*	*			trans	-146.8	172.9	178.5	52.2	0	0	0	0	110.1
822	P	46.4	Very low	32.4	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	79%	0.788	S	S	*	*			cis	-128.4	-174.7	-6.2	42.4	-27.7	0	0	0	113.5
823	L	30.8	Very low	32.4	Very low	178 Å²	178	131.6 Å²	131.6	93%	0.932	78%	0.78	S	S	*	*			trans	177.3	156.3	139.1	-96.8	160.7	0	0	0	111.8
824	G	27	Very low	32.7	Very low	65 Å²	65	130.4 Å²	130.4	67%	0.67	77%	0.771	S	S	*	*			trans	-117.3	-156.1	174	0	0	0	0	0	112.2
825	P	41.6	Very low	32.7	Very low	121 Å²	121	129.8 Å²	129.8	79%	0.786	77%	0.773	S	S	*	*			cis	-141.2	-170.1	6.9	44.3	-26.2	0	0	0	116.2
826	R	26.5	Very low	32.7	Very low	243 Å²	243	127.9 Å²	127.9	92%	0.917	77%	0.767	S	S	*	*			trans	70.5	153.6	164.9	-78	-174.6	150.4	148	-6.3	117.8
827	A	27.7	Very low	32.8	Very low	86 Å²	86	127.4 Å²	127.4	71%	0.711	76%	0.764	S	S	*	*			cis	-162.5	166.7	-16.5	0	0	0	0	0	111.7
828	H	30.4	Very low	32.8	Very low	183 Å²	183	129 Å²	129	85%	0.847	77%	0.769	S	S	*	*			trans	-88.3	163.7	178	-67.1	-87.4	0	0	0	114.6
829	P	44	Very low	32.1	Very low	120 Å²	120	130.7 Å²	130.7	78%	0.779	78%	0.778	S	S	*	*				-113.4	148	114.6	-3.1	23.1	0	0	0	110.8
830	A	32.1	Very low	33.7	Very low	92 Å²	92	128 Å²	128	76%	0.76	78%	0.775	S	S	*	*			cis	87	143	34.6	0	0	0	0	0	114.3
831	S	31.3	Very low	34.7	Very low	108 Å²	108	127 Å²	127	76%	0.755	78%	0.776	S	S	*	*			cis	-77.9	-153.5	-8.7	65.1	0	0	0	0	111.3	E833	S831-E833 VanDerWaalsContact CB-OE1 3.32Å; S831-E833 WeakPolarHBondContact CB-OE1 3.44Å
832	G	31.3	Very low	35	Very low	64 Å²	64	130 Å²	130	66%	0.66	78%	0.784	S	S	*	*			cis	168.5	164.1	4.5	0	0	0	0	0	108.4
833	E	31.8	Very low	34.1	Very low	149 Å²	149	129.3 Å²	129.3	70%	0.696	79%	0.788	S	S	*	*			cis	-139.5	173.6	-3.4	-77.8	-54.9	124.3	0	0	107.1	S831	S831-E833 VanDerWaalsContact CB-OE1 3.32Å; S831-E833 WeakPolarHBondContact CB-OE1 3.44Å
834	S	35.1	Very low	34.1	Very low	91 Å²	91	125.6 Å²	125.6	64%	0.636	78%	0.783	S	S	*	*				46.5	127.5	65.1	-110.2	0	0	0	0	112.8
835	L	33.8	Very low	34.3	Very low	165 Å²	165	127 Å²	127	86%	0.864	79%	0.789	S	S	*	*			cis	-141.1	171	10.7	-78.6	171.8	0	0	0	107.8
836	A	31.5	Very low	33.7	Very low	84 Å²	84	129.6 Å²	129.6	69%	0.694	79%	0.794	S	S	*	*			cis	-176.9	174.8	-6.4	0	0	0	0	0	107.4
837	S	30.2	Very low	33.8	Very low	107 Å²	107	127 Å²	127	75%	0.748	79%	0.792	S	S	*	*			cis	-179.8	131.3	-33.3	63.2	0	0	0	0	108.5
838	M	28.1	Very low	33.7	Very low	196 Å²	196	126.2 Å²	126.2	97%	0.966	79%	0.792	S	S	*	*			trans	-172.1	166.2	148	-107.1	176.7	-165.5	0	0	111
839	V	32.8	Very low	33.7	Very low	139 Å²	139	125.2 Å²	125.2	84%	0.842	79%	0.791	S	S	*	*			trans	-137.3	153.6	-145	154.5	0	0	0	0	112.5
840	P	62.2	Low	32.8	Very low	108 Å²	108	123.9 Å²	123.9	70%	0.701	79%	0.785	S	S	*	*			trans	-92.3	-160.3	-171.4	39.3	-39.7	0	0	0	113.5
841	P	47.9	Very low	32.6	Very low	129 Å²	129	126.7 Å²	126.7	84%	0.838	79%	0.786	S	S	*	*				-139.1	176.1	120.4	39.3	-28.3	0	0	0	115.8
842	M	31.8	Very low	32.5	Very low	189 Å²	189	129.7 Å²	129.7	93%	0.931	79%	0.789	S	S	*	*			trans	-98.7	163.3	-179.6	-52.5	173.7	-179.7	0	0	113.6
843	A	29	Very low	32.4	Very low	98 Å²	98	130.7 Å²	130.7	81%	0.81	80%	0.799	S	S	*	*			trans	-171.9	162.9	139.4	0	0	0	0	0	109.2
844	A	30.6	Very low	32.3	Very low	100 Å²	100	127 Å²	127	83%	0.826	80%	0.801	S	S	*	*			cis	-169	168.2	-34.7	0	0	0	0	0	106.6
845	A	30.4	Very low	32.1	Very low	96 Å²	96	130 Å²	130	79%	0.793	81%	0.808	S	S	*	*			trans	-92	165.5	-173.7	0	0	0	0	0	114.6
846	I	29.2	Very low	32.1	Very low	175 Å²	175	133.4 Å²	133.4	90%	0.897	81%	0.81	S	S	*	*			trans	-161	156.7	150.7	-105.2	153.8	0	0	0	110.2
847	Q	29	Very low	32	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	81%	0.81	S	S	*	*			trans	-117.2	152.9	-175.8	-58.6	167.3	-60	0	0	112.2
848	G	26.3	Very low	32	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	81%	0.81	S	S	*	*			trans	108.2	130.6	131.3	0	0	0	0	0	121.8
849	I	28.8	Very low	32.1	Very low	161 Å²	161	132.7 Å²	132.7	83%	0.826	80%	0.803	S	S	*	*			trans	78.9	87.1	131.6	-54.3	176.4	0	0	0	120.2
850	S	25.6	Very low	32.4	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	80%	0.801	S	S	*	*				68.6	146.8	121.1	85.8	0	0	0	0	125.8
851	L	28.6	Very low	30.8	Very low	150 Å²	150	134.9 Å²	134.9	79%	0.785	81%	0.805	S	S	*	*			trans	73.2	132.4	150.7	-70.4	162.8	0	0	0	118.3
852	Q	29.7	Very low	30	Very low	172 Å²	172	139.2 Å²	139.2	80%	0.804	81%	0.805	S	S	*	*			cis	179.8	135.9	17.3	166.4	171	-7.3	0	0	112.4
853	G	28	Very low	29.7	Very low	84 Å²	84	137.3 Å²	137.3	87%	0.866	80%	0.804	S	S	*	*			trans	75	151.5	165.8	0	0	0	0	0	117.6
854	G	28.9	Very low	29.7	Very low	72 Å²	72	138 Å²	138	74%	0.742	80%	0.803	S	S	*	*			cis	165.7	140.1	-6.2	0	0	0	0	0	108.3
855	I	32.6	Very low	29.6	Very low	154 Å²	154	140 Å²	140	79%	0.79	80%	0.799	S	S	*	*				-174.4	141.5	57	-87.9	168.9	0	0	0	110.5
856	R	33.1	Very low	29.4	Very low	237 Å²	237	144.3 Å²	144.3	89%	0.894	80%	0.8	S	S	*	*			trans	65.1	151.6	161.8	-78.3	170.9	-177.7	-171.5	0.5	118.8
857	T	28.8	Very low	29.2	Very low	115 Å²	115	146.9 Å²	146.9	71%	0.706	80%	0.798	S	S	*	*			cis	-138.8	168.3	8.3	52.3	0	0	0	0	115.5
858	T	30.3	Very low	29.2	Very low	122 Å²	122	146.3 Å²	146.3	75%	0.748	80%	0.796	S	S	*	*			trans	78.3	110.8	143.9	38.5	0	0	0	0	125.1
859	V	30.8	Very low	29.2	Very low	134 Å²	134	151.7 Å²	151.7	81%	0.812	80%	0.804	S	S	*	*			trans	69.4	123.1	140	-170.4	0	0	0	0	122
860	P	39.8	Very low	29	Very low	123 Å²	123	149.1 Å²	149.1	80%	0.799	80%	0.801	S	S	*	*			trans	-115.8	173.7	174.1	42.1	-33.2	0	0	0	115.9
861	Q	28.4	Very low	29.2	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.794	81%	0.811	S	S	*	*			trans	-150	146.6	167.9	-142.1	-163.6	62.4	0	0	114.7
862	R	29.9	Very low	29.1	Very low	220 Å²	220	146.8 Å²	146.8	83%	0.83	81%	0.808	S	S	*	*			trans	59.4	125.4	164.4	-69.6	-173.1	-177	-126.1	1.4	121.3
863	V	26.1	Very low	29.1	Very low	150 Å²	150	143.8 Å²	143.8	91%	0.909	81%	0.813	S	S	*	*			trans	-137.3	165.2	148.6	-179.5	0	0	0	0	108.1
864	S	29.1	Very low	29.2	Very low	113 Å²	113	146.8 Å²	146.8	79%	0.79	81%	0.808	S	S	*	*			trans	-98.5	168.5	-167.1	52.2	0	0	0	0	116.9
865	L	28.2	Very low	29.8	Very low	142 Å²	142	148.4 Å²	148.4	74%	0.743	81%	0.806	S	S	*	*			trans	-73.7	178.6	171	-70.2	156.5	0	0	0	111.9
866	F	25.6	Very low	30	Very low	186 Å²	186	146.7 Å²	146.7	82%	0.816	80%	0.804	S	S	*	*			cis	-159.3	157.2	25.3	-127.6	-62.8	0	0	0	112.9
867	R	26.3	Very low	29.8	Very low	228 Å²	228	141 Å²	141	86%	0.86	80%	0.796	S	S	*	*			trans	-160.8	161.5	159.4	-158.4	179.6	-174.6	-165.8	2.7	111.8
868	Q	29.4	Very low	29.8	Very low	178 Å²	178	146.5 Å²	146.5	83%	0.832	80%	0.804	S	S	*	*			trans	110	-178.9	157.3	-64.2	-168.4	-104.6	0	0	120
869	M	24.4	Very low	29.7	Very low	181 Å²	181	146.4 Å²	146.4	89%	0.892	81%	0.808	S	S	*	*			trans	-168.9	161.2	-142.7	-87.9	171.4	162.2	0	0	107.3
870	S	25.5	Very low	29.6	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	81%	0.811	S	S	*	*			cis	-167.3	-175.3	-13.7	-168.6	0	0	0	0	108.1
871	S	28.9	Very low	29.1	Very low	124 Å²	124	144.3 Å²	144.3	87%	0.867	82%	0.815	S	S	*	*			trans	69.7	157.1	176.3	-48.9	0	0	0	0	115.2
872	G	27.8	Very low	29.1	Very low	71 Å²	71	141.7 Å²	141.7	73%	0.732	82%	0.816	S	S	*	*			cis	165.3	162.9	-9.3	0	0	0	0	0	113
873	A	29.1	Very low	29	Very low	109 Å²	109	135.8 Å²	135.8	90%	0.901	81%	0.814	S	S	*	*			trans	81.7	168.1	170.7	0	0	0	0	0	120.4
874	L	29.5	Very low	29.1	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	81%	0.811	S	S	*	*			trans	-131.6	-153	-153.1	-66.9	161.6	0	0	0	113.6
875	P	42.3	Very low	29.2	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	81%	0.812	S	S	*	*				-119.3	-171.5	-95.7	43.4	-26.7	0	0	0	113.5
876	P	36.2	Very low	29.2	Very low	117 Å²	117	130.7 Å²	130.7	76%	0.76	82%	0.815	S	S	*	*				-160	132.9	86	38.9	-16	0	0	0	120.2
877	V	29.6	Very low	29.2	Very low	118 Å²	118	129 Å²	129	72%	0.715	82%	0.82	S	S	*	*				47.2	114.9	124.5	-173.2	0	0	0	0	122.3
878	R	28.1	Very low	29.3	Very low	230 Å²	230	122.5 Å²	122.5	87%	0.868	81%	0.814	S	S	*	*				147.5	152.2	108.9	-123.2	165.5	-156.6	-175.1	5.2	119
879	S	28.9	Very low	29.2	Very low	121 Å²	121	118.9 Å²	118.9	85%	0.846	82%	0.815	S	S	*	*			trans	72.1	135.1	155.1	39.4	0	0	0	0	121.5
880	A	28.5	Very low	29.3	Very low	106 Å²	106	115.3 Å²	115.3	88%	0.876	81%	0.814	S	S	*	*			trans	-107.7	167.9	-169.7	0	0	0	0	0	114.4
881	A	28.4	Very low	29.4	Very low	107 Å²	107	115.7 Å²	115.7	88%	0.884	82%	0.817	S	S	*	*			trans	-147.9	164.3	163	0	0	0	0	0	110.7
882	S	28.4	Very low	29.4	Very low	115 Å²	115	115.1 Å²	115.1	80%	0.804	81%	0.813	S	S	*	*			trans	-124.1	177.9	-173.2	57.5	0	0	0	0	113
883	A	28.8	Very low	29.4	Very low	96 Å²	96	117.8 Å²	117.8	79%	0.793	82%	0.82	S	S	*	*			trans	70.3	135.1	-174.6	0	0	0	0	0	113.9
884	A	28.7	Very low	29.3	Very low	101 Å²	101	118.7 Å²	118.7	84%	0.835	82%	0.82	S	S	*	*			cis	66.8	87.7	7.5	0	0	0	0	0	117.2
885	A	29.4	Very low	29.3	Very low	100 Å²	100	116.5 Å²	116.5	83%	0.826	82%	0.817	S	S	*	*				-177.2	147	112.1	0	0	0	0	0	114
886	A	29.2	Very low	28.6	Very low	97 Å²	97	116.1 Å²	116.1	80%	0.802	82%	0.817	S	S	*	*			trans	38	116.5	148.4	0	0	0	0	0	121.6
887	V	25.6	Very low	28.4	Very low	151 Å²	151	116 Å²	116	92%	0.915	81%	0.814	S	S	*	*			trans	-71.7	136	149.9	171.2	0	0	0	0	109.6
888	A	28.1	Very low	28.4	Very low	90 Å²	90	118.1 Å²	118.1	74%	0.744	82%	0.816	S	S	*	*			trans	-148	132.1	161.1	0	0	0	0	0	112.2
889	A	27.1	Very low	28.5	Very low	103 Å²	103	113.9 Å²	113.9	85%	0.851	81%	0.806	S	S	*	*			trans	42.2	112.1	160.3	0	0	0	0	0	120.8
890	A	26.8	Very low	28.6	Very low	106 Å²	106	117.9 Å²	117.9	88%	0.876	80%	0.803	S	S	*	*			trans	-162	113.3	137.5	0	0	0	0	0	112.7
891	S	27.6	Very low	28.6	Very low	115 Å²	115	120.2 Å²	120.2	80%	0.804	80%	0.795	S	S	*	*			trans	-166.6	135.9	156.9	59.1	0	0	0	0	110.7
892	S	28.9	Very low	28.7	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	79%	0.791	S	S	*	*			cis	-175.4	129.9	-11.2	46.8	0	0	0	0	109.9
893	S	27.6	Very low	29.4	Very low	127 Å²	127	121.2 Å²	121.2	89%	0.888	79%	0.793	S	S	*	*			trans	-172.3	103.6	153.4	43.9	0	0	0	0	113.1
894	S	27.9	Very low	29.4	Very low	128 Å²	128	120.5 Å²	120.5	90%	0.895	80%	0.795	S	S	*	*			trans	-146.5	153.6	152	61.2	0	0	0	0	108.7
895	S	28.7	Very low	29.4	Very low	102 Å²	102	120.8 Å²	120.8	71%	0.713	79%	0.791	S	S	*	*			trans	-101.1	155.2	-161.4	57	0	0	0	0	114.5
896	S	28.6	Very low	29.4	Very low	98 Å²	98	125.7 Å²	125.7	69%	0.685	79%	0.788	S	S	*	*			trans	73	152.3	139.1	55.6	0	0	0	0	121.9
897	T	30.8	Very low	29.5	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	79%	0.785	S	S	*	*			trans	77.9	96.3	152.2	38.2	0	0	0	0	121.6
898	Q	30.5	Very low	29.6	Very low	161 Å²	161	130 Å²	130	75%	0.752	78%	0.778	S	S	*	*				95.6	127	120.1	-75.7	178.3	7.7	0	0	122.5
899	H	30.7	Very low	29.5	Very low	142 Å²	142	130.9 Å²	130.9	66%	0.657	78%	0.778	S	S	*	*			trans	68	114.2	141.8	-77.4	-47.3	0	0	0	119.8
900	R	29.5	Very low	29.6	Very low	204 Å²	204	132.5 Å²	132.5	77%	0.77	78%	0.778	S	S	*	*				84	131.8	95.5	-101.5	-173.2	126.7	135.6	-2.9	111.7
901	E	29.6	Very low	29.6	Very low	155 Å²	155	135.6 Å²	135.6	72%	0.724	78%	0.779	S	S	*	*			cis	-137.5	-177	11.1	-74.5	-171.9	144.9	0	0	113.5
902	S	30	Very low	29.6	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	77%	0.773	S	S	*	*			trans	-90.4	-176.4	179.6	-62.3	0	0	0	0	112.9
903	P	43.1	Very low	29.5	Very low	131 Å²	131	134.7 Å²	134.7	85%	0.851	77%	0.772	S	S	*	*			cis	-127.9	169.7	-26	27.3	-7.3	0	0	0	113.7
904	G	28.2	Very low	29.6	Very low	81 Å²	81	134.3 Å²	134.3	84%	0.835	77%	0.765	S	S	*	*			trans	-164.8	135.8	169.7	0	0	0	0	0	114.7
905	S	29.8	Very low	29.6	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	76%	0.759	S	S	*	*			trans	-106.4	122.8	-166.9	166.1	0	0	0	0	115.4
906	R	29.6	Very low	29.6	Very low	203 Å²	203	137.6 Å²	137.6	77%	0.766	76%	0.764	S	S	*	*			trans	56.7	125.6	142.5	-69.8	179.4	169	170.1	-1.5	121.7
907	R	29.9	Very low	29.6	Very low	194 Å²	194	141.4 Å²	141.4	73%	0.732	77%	0.771	S	S	*	*			trans	74.9	107.9	131.9	-67.7	-174.9	175.6	165.5	-2.4	120.8
908	D	27.6	Very low	29.5	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	78%	0.777	S	S	*	*				58.4	98.6	113.2	-42.7	-23.9	0	0	0	118.8
909	S	27.3	Very low	29.4	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	78%	0.78	S	S	*	*			trans	-58.4	162.3	144.8	49.9	0	0	0	0	110.6
910	V	28.9	Very low	29.4	Very low	138 Å²	138	145.4 Å²	145.4	84%	0.836	78%	0.784	S	S	*	*				-151.3	149.5	62.2	164	0	0	0	0	111.7
911	L	26.9	Very low	29.2	Very low	171 Å²	171	144.8 Å²	144.8	90%	0.895	79%	0.792	S	S	*	*			trans	-88.6	165.1	178.4	-104.8	162.4	0	0	0	113.2
912	S	27.9	Very low	29.2	Very low	98 Å²	98	148.1 Å²	148.1	69%	0.685	80%	0.798	S	S	*	*			trans	-122	134	-175.4	175.5	0	0	0	0	112.6
913	S	27.2	Very low	29	Very low	109 Å²	109	153 Å²	153	76%	0.762	81%	0.806	S	S	*	*			trans	-166.4	141.9	151.9	48.1	0	0	0	0	108.2
914	T	29.3	Very low	28.3	Very low	118 Å²	118	151.2 Å²	151.2	72%	0.724	80%	0.802	S	S	*	*			cis	82.8	92.2	11.5	81.4	0	0	0	0	118.2
915	E	27.3	Very low	28.5	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	80%	0.796	S	S	*	*			trans	-129.2	104.7	149.3	-70.4	-176.7	130.1	0	0	105.3
916	T	29.5	Very low	28.5	Very low	132 Å²	132	154.4 Å²	154.4	81%	0.81	80%	0.799	S	S	*	*				76.4	104	81	55.8	0	0	0	0	115.2
917	E	28.9	Very low	28.5	Very low	178 Å²	178	157 Å²	157	83%	0.832	83%	0.827	S	S	*	*			trans	-80.7	138.3	165.3	-67	177	100.2	0	0	111.9
918	Q	28.7	Very low	28.4	Very low	180 Å²	180	155.1 Å²	155.1	84%	0.841	83%	0.832	S	S	*	*			trans	-145	143.8	141.6	-88.8	177.6	-44.9	0	0	105.9
919	D	28.2	Very low	28.4	Very low	152 Å²	152	155.7 Å²	155.7	81%	0.813	84%	0.835	S	S	*	*			cis	-135.2	167.8	9.9	-120	-40.2	0	0	0	112.5
920	K	30.1	Very low	28.5	Very low	169 Å²	169	158.3 Å²	158.3	74%	0.735	84%	0.839	S	S	*	*			trans	-132.5	94.5	-167.3	-166.8	172.6	-161.5	147.8	0	114.2
921	M	26.1	Very low	28.5	Very low	192 Å²	192	159.5 Å²	159.5	95%	0.946	84%	0.839	S	S	*	*			trans	-93.7	131.5	162.1	-90.7	-173.9	-99	0	0	111.4
922	R	29.3	Very low	28.6	Very low	224 Å²	224	158.8 Å²	158.8	85%	0.845	84%	0.836	S	S	*	*			trans	-86.1	141.7	172.4	-69.5	171.6	167.2	165.1	-6.2	109.6
923	F	26.1	Very low	28.6	Very low	216 Å²	216	162.9 Å²	162.9	95%	0.947	85%	0.846	S	S	*	*			trans	-126.7	156.2	140.9	-101.3	-85.7	0	0	0	109.6
924	A	28.2	Very low	28.7	Very low	93 Å²	93	166.7 Å²	166.7	77%	0.769	85%	0.852	S	S	*	*			trans	-95.2	166.2	-173	0	0	0	0	0	112.1
925	S	31.1	Very low	28.7	Very low	103 Å²	103	170.5 Å²	170.5	72%	0.72	86%	0.862	S	S	*	*			trans	-53.6	138.5	169.6	49.6	0	0	0	0	113.3
926	N	29.7	Very low	28.8	Very low	152 Å²	152	170.7 Å²	170.7	81%	0.813	87%	0.868	S	S	*	*				-173.1	152.4	128.9	-89.5	-15.9	0	0	0	108.9
927	L	29.6	Very low	28.7	Very low	257 Å²	257	174.2 Å²	174.2	100%	1.346	87%	0.873	S	S	*	*			trans	67.7	0	-163	-65.2	147.9	0	0	0	112.4

Retrieved 927 of 927 residues in 230.6 ms (Link to these results)

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