A0A087X6R0_POEFO Loading...

Hyperpolarization activated cyclic nucleotide gated potassium channel 4

AlphaFold DB , UniProt , Accession A0A087X6R0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,195 aa.

						>A0A087X6R0_POEFO|A0A087X6R0
MDRLHSSMRKRLYSLPQHIGQKASIMGEGEDADKDTRRKSIRMKPLPSPTSGVSCKGIGETKSGESVIMETDMGRPLKTSSNGDCRRFRGSLSSITSRHVHDSDSAEARRLITEGDVTPSEESPPGAIGDEQPDEGAQGASGGAQTDPPDQQAGFIKLDGIDQILPDDAGLYQAGFIHRQLGAMLQPGVNKFSLRMFGSEKAVEREQERVKSAGFWIIHPYSDFSLSKSRFYWDLTMLLLMVGNLIIIPVGITFFKDEHTPPWIVFNVVSDTFFLMDLVLNFRTGIVKEDNTEIILDPQQIKIKYLRSWFVVDFISSIPVDYIFLIVETRIDSDFYKTARALRIVRFTKILSLLRLLRLSRLIRYIHQWEEIFHMTYDLASAMVRIVNLIGMMLLLCHWDGCLQFLVPMLQDFPADCWVSKNKMVNDTWGQQYSYALFKAMSHMLCIGYGMYPPVGMTDVWLTILSMIVGATCYAMFVGHATALIQSLDSSRRQYQEKYKQVEQYMSFHKLPADMRQRIHDYYEHRYQGKMFDEESILGELNEPLREEIINFNCRKLVASMPLFANADPNFVTSMLTKLRFEVFQPRDYIIREGTIGKKMYFIQHGVVSVLTKGSKETKLSDGSYFGEICLLTRGRRTASVRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETVALDRLDRIGKKNSILQHKVQHDLSSGVLNYQENEIIQQIVQHDRDMAHCAHLMQNAPPQTPPSPTPVIWAPLIQAPLQAAAATTSVAIALTHHPHLPPTLFRPPVSVLSSLKDPSTRLRKFQPFVPSSTAPGSSGDSLSSTPSKLHSGVDMPLLAAFRAHHMTSGSGTVGSTRQGSGLGGQRGNNGTGSVSSEGGTNVFPFGPHSSSGSPSSSTAQLHPQPQYQQPFRSSTPPLSNLFHQAPVGGSTGSGSPLSTSPSNLMSSQILPNQPHPKSLQQFAGGGRTTSGINLFQSPSQGSPSCVRGQQTQSPATGSPPSISHFSLAGLQSGCLPHQMSMEKSALASLAQYGSANASPCLTPVARSPTVQSPVGGRTFQYSDPSSIAGSHSSLLMPQSPLLSQLPSLPQSSGRDSPLAPFSEDLKGLSSSHPSLPQEVAQALSHQTTCSSVEYYPSPFSSPTLVPKPCSSISGHMTPPKQESPGNPHLTQSPRSSPVPPPQRGSGAYLSDLEPQTARSKLPSNL
					

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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	29.8	Very low	27.1	Very low	223 Å²	223	177.5 Å²	177.5	100%	1.099	84%	0.835	S	S	*	*				0	93	0	-75.6	-168.5	177.7	0	0	107.1
2	D	25.4	Very low	26.9	Very low	123 Å²	123	174.3 Å²	174.3	66%	0.658	83%	0.825	S	S	*	*			cis	57.4	127.7	27.2	-53.2	-94	0	0	0	112.5
3	R	28.2	Very low	27	Very low	222 Å²	222	175.8 Å²	175.8	84%	0.838	82%	0.82	S	S	*	*			cis	-155.5	142.3	-6	-102.6	162.6	-162.4	-161.9	1.6	106.7
4	L	26.1	Very low	26.8	Very low	181 Å²	181	172.1 Å²	172.1	95%	0.948	82%	0.824	S	S	*	*			trans	-160.5	121.8	146.6	-110.5	168	0	0	0	110.8
5	H	29.2	Very low	27	Very low	155 Å²	155	170.5 Å²	170.5	72%	0.718	82%	0.82	S	S	*	*			trans	-155.9	143.3	-177.7	-160.5	-105.5	0	0	0	103.6
6	S	26.7	Very low	28	Very low	90 Å²	90	165.4 Å²	165.4	63%	0.629	81%	0.806	S	S	*	*			cis	-162.9	146.3	-2	48.5	0	0	0	0	110.9
7	S	25.9	Very low	28	Very low	113 Å²	113	166.1 Å²	166.1	79%	0.79	81%	0.807	S	S	*	*	S	Bend	trans	179	131.2	144.2	-160.5	0	0	0	0	107.2
8	M	28.4	Very low	28	Very low	178 Å²	178	165.8 Å²	165.8	88%	0.877	80%	0.804	S	S	*	*	S	Bend	cis	-123.6	113.8	-0.1	-63.4	170.9	-82.9	0	0	109.3
9	R	26.9	Very low	27.9	Very low	237 Å²	237	164.9 Å²	164.9	89%	0.894	80%	0.801	S	S	*	*			trans	-153.3	71.3	170	-164.4	-173.4	-75.6	-166.3	-1.7	112.9
10	K	26.8	Very low	27.8	Very low	183 Å²	183	160.4 Å²	160.4	80%	0.796	80%	0.8	S	S	*	*			trans	-176.6	141.3	160.4	-94.3	141.1	-175.5	176.6	0	105.7
11	R	24.5	Very low	27.8	Very low	248 Å²	248	162.1 Å²	162.1	94%	0.936	81%	0.805	S	S	*	*			cis	-114.5	153.1	6.8	-64.8	177.3	178.3	167.2	-1.3	112.1
12	L	24.9	Very low	27.7	Very low	138 Å²	138	161.4 Å²	161.4	72%	0.723	80%	0.796	S	S	*	*			trans	-126.3	158.8	156.3	-136.1	173.7	0	0	0	105.6
13	Y	28	Very low	27.7	Very low	194 Å²	194	160.1 Å²	160.1	76%	0.761	80%	0.802	S	S	*	*			trans	76.7	106.7	176.7	-54.4	-72.7	0	0	0	119.1	L15	Y13-L15 HydrophobicContact CD1-CD1 4.37Å
14	S	24.7	Very low	27.8	Very low	124 Å²	124	155 Å²	155	87%	0.867	80%	0.801	S	S	*	*				-138.2	145.9	113	52.5	0	0	0	0	109.6
15	L	29.5	Very low	27.7	Very low	148 Å²	148	153.6 Å²	153.6	78%	0.775	79%	0.793	S	S	*	*			trans	-92.7	-173.5	-175.9	-118.6	66.9	0	0	0	110.9	Y13	Y13-L15 HydrophobicContact CD1-CD1 4.37Å
16	P	43.8	Very low	27.4	Very low	90 Å²	90	155 Å²	155	58%	0.584	80%	0.802	S	S	*	*			cis	-137	-175.1	-12.9	34.9	-13.7	0	0	0	115.2
17	Q	27.2	Very low	27.4	Very low	177 Å²	177	153.5 Å²	153.5	83%	0.827	80%	0.801	S	S	*	*			trans	47.1	131.4	148.1	-70.1	161.2	-29.4	0	0	120.1
18	H	27.2	Very low	27.5	Very low	161 Å²	161	158.1 Å²	158.1	75%	0.745	81%	0.81	S	S	*	*				179.1	155.3	67	-165.4	-131.2	0	0	0	112.4
19	I	27.3	Very low	27.4	Very low	149 Å²	149	153 Å²	153	76%	0.764	80%	0.803	S	S	*	*			trans	43.3	139	159.9	-75.3	-178	0	0	0	122
20	G	25.6	Very low	27.6	Very low	74 Å²	74	151.3 Å²	151.3	76%	0.763	81%	0.805	S	S	*	*			trans	146.2	101.9	144.8	0	0	0	0	0	117.8
21	Q	27.6	Very low	27.8	Very low	196 Å²	196	150.5 Å²	150.5	92%	0.916	81%	0.809	S	S	*	*			trans	-107.4	124.7	159.6	-81.2	-174.3	-31	0	0	110
22	K	27.3	Very low	28.1	Very low	208 Å²	208	142.6 Å²	142.6	90%	0.904	80%	0.797	S	S	*	*			trans	175.3	156.9	130.5	-104.8	177	178.7	-179.9	0	114
23	A	25.9	Very low	28.4	Very low	96 Å²	96	143.3 Å²	143.3	79%	0.793	80%	0.802	S	S	*	*			trans	55.8	124.1	150.1	0	0	0	0	0	120.1
24	S	29.9	Very low	28.6	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	80%	0.804	S	S	*	*			trans	-80.6	140.2	158.3	47.7	0	0	0	0	111.2
25	I	24.5	Very low	28.9	Very low	151 Å²	151	143 Å²	143	77%	0.774	79%	0.794	S	S	*	*			trans	-166.3	129.1	157.4	-107.6	155.2	0	0	0	108.7
26	M	23.5	Very low	29.1	Very low	183 Å²	183	142.1 Å²	142.1	90%	0.901	80%	0.795	S	S	*	*			trans	57.9	165.1	166.1	-71.1	157.8	59.4	0	0	116.6
27	G	25.2	Very low	28.3	Very low	60 Å²	60	149.8 Å²	149.8	62%	0.619	81%	0.812	S	S	*	*			cis	174.1	-174.4	-6.5	0	0	0	0	0	110.6
28	E	28.6	Very low	28.5	Very low	210 Å²	210	152.8 Å²	152.8	98%	0.981	82%	0.816	S	S	*	*			trans	67.4	151.2	175	-51.3	-173.7	151.9	0	0	115.6
29	G	27.2	Very low	28.7	Very low	70 Å²	70	155.2 Å²	155.2	72%	0.722	82%	0.824	S	S	*	*			cis	163.5	138.1	-9.5	0	0	0	0	0	111.8
30	E	30.3	Very low	28.8	Very low	202 Å²	202	152.7 Å²	152.7	94%	0.944	82%	0.82	S	S	*	*			trans	-138	139.6	169.4	-75.6	-171.2	113.3	0	0	111.2
31	D	30.5	Very low	29	Very low	166 Å²	166	157 Å²	157	89%	0.888	82%	0.824	S	S	*	*			trans	-77.6	165	179.6	-78	-51.3	0	0	0	113.2
32	A	31	Very low	28.9	Very low	81 Å²	81	158.8 Å²	158.8	67%	0.669	82%	0.822	S	S	*	*			cis	-163.8	167.6	-14.7	0	0	0	0	0	110.7
33	D	31.9	Very low	28.7	Very low	154 Å²	154	157.7 Å²	157.7	82%	0.824	82%	0.823	S	S	*	*			trans	32.3	118.7	155.6	-68.9	-19.2	0	0	0	122.4
34	K	31.9	Very low	28.8	Very low	189 Å²	189	162.8 Å²	162.8	82%	0.822	83%	0.827	S	S	*	*				-165.9	130.5	91.7	-120.4	177.2	177.5	170.4	0	118.1
35	D	30.8	Very low	28.8	Very low	122 Å²	122	162.8 Å²	162.8	65%	0.652	82%	0.824	S	S	*	*			trans	37.6	107.4	148.1	-70.8	-45.2	0	0	0	124
36	T	33.3	Very low	28.9	Very low	129 Å²	129	163.6 Å²	163.6	79%	0.791	83%	0.829	S	S	*	*			trans	59.2	117.8	130.9	70.2	0	0	0	0	121.7
37	R	28.5	Very low	29.3	Very low	251 Å²	251	160.7 Å²	160.7	95%	0.947	82%	0.824	S	S	*	*				-179.7	112	101.8	-169.2	178.2	-162.3	-157.2	7.5	110.7
38	R	31	Very low	29.3	Very low	241 Å²	241	163.3 Å²	163.3	91%	0.909	83%	0.833	S	S	*	*			trans	-140	137.4	175.5	-141.4	-179.9	-161.1	-146.2	4.8	111.2
39	K	32	Very low	29.9	Very low	211 Å²	211	159.2 Å²	159.2	92%	0.917	83%	0.825	S	S	*	*			trans	-110	154	156.2	-84.4	-168.3	173.4	-175	0	108.8
40	S	28.1	Very low	29.8	Very low	96 Å²	96	162.6 Å²	162.6	67%	0.671	83%	0.831	S	S	*	*			trans	-138.3	147.4	-160	57.5	0	0	0	0	113.5
41	I	29.9	Very low	29.7	Very low	164 Å²	164	158.7 Å²	158.7	84%	0.841	83%	0.826	S	S	*	*			trans	-149	120.2	146.8	-74	106.8	0	0	0	102.8
42	R	25.4	Very low	29.5	Very low	235 Å²	235	154.6 Å²	154.6	89%	0.887	82%	0.823	S	S	*	*			cis	76.1	89.9	33.3	-155.9	-177	-153.2	-170.6	9.4	114.3
43	M	23.8	Very low	29.2	Very low	185 Å²	185	157.6 Å²	157.6	91%	0.911	83%	0.833	S	S	*	*			trans	-106.4	150.5	161.2	-72.2	-170.9	174.1	0	0	111.2
44	K	27.5	Very low	28.9	Very low	203 Å²	203	155 Å²	155	88%	0.883	83%	0.827	S	S	*	*			trans	-146.7	162.9	158.6	-103.1	-158.6	173	-169.8	0	108.7
45	P	29.5	Very low	28.6	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.8	170.7	-143.6	36.1	-38.8	0	0	0	116.7
46	L	27	Very low	28.4	Very low	167 Å²	167	155.6 Å²	155.6	87%	0.874	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-71.1	144.8	173.2	-71.1	144.5	0	0	0	113.2
47	P	31.2	Very low	28	Very low	122 Å²	122	152.4 Å²	152.4	79%	0.792	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-97.6	165.6	154.7	37.1	-30.8	0	0	0	112.2
48	S	25.9	Very low	28.1	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-90.1	159.9	174.6	44.8	0	0	0	0	113.1
49	P	40.8	Very low	28	Very low	124 Å²	124	140.3 Å²	140.3	81%	0.805	81%	0.813	S	S	*	*			trans	-104.1	155.5	-168.3	38.5	-34.6	0	0	0	115.3
50	T	24.8	Very low	27.9	Very low	140 Å²	140	138.4 Å²	138.4	86%	0.859	81%	0.808	S	S	*	*			trans	-141.1	137.8	159.3	27.3	0	0	0	0	112.1
51	S	28.2	Very low	28	Very low	121 Å²	121	138.2 Å²	138.2	85%	0.846	80%	0.803	S	S	*	*			trans	-2.2	133.1	165.5	53	0	0	0	0	121.6
52	G	26.1	Very low	28.2	Very low	80 Å²	80	139.7 Å²	139.7	83%	0.825	80%	0.803	S	S	*	*			trans	-170	37.7	175.5	0	0	0	0	0	120.9
53	V	25.7	Very low	28.4	Very low	143 Å²	143	133.8 Å²	133.8	87%	0.867	80%	0.798	S	S	*	*			trans	19.4	123.9	152.4	173.6	0	0	0	0	121.8
54	S	24.7	Very low	28.7	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	79%	0.785	S	S	*	*			trans	118.7	110	139.1	-149.8	0	0	0	0	122
55	C	27.1	Very low	28.9	Very low	107 Å²	107	127.4 Å²	127.4	72%	0.723	79%	0.786	S	S	*	*			trans	55.4	128.1	131.5	-60.8	0	0	0	0	126
56	K	25.5	Very low	28.8	Very low	215 Å²	215	126.4 Å²	126.4	94%	0.935	78%	0.781	S	S	*	*			trans	65.1	142.7	146.5	-65	178.9	177.3	-178.2	0	118.6
57	G	25.9	Very low	28.9	Very low	63 Å²	63	124.9 Å²	124.9	65%	0.649	78%	0.779	S	S	*	*			cis	154.8	169	-6.8	0	0	0	0	0	112.9
58	I	29.6	Very low	29	Very low	177 Å²	177	125.6 Å²	125.6	91%	0.908	78%	0.775	S	S	*	*			trans	72.3	136.9	176	-49.5	169.9	0	0	0	113.3
59	G	28.4	Very low	29.2	Very low	60 Å²	60	126.2 Å²	126.2	62%	0.619	77%	0.766	S	S	*	*			cis	-172.6	171.9	-6.1	0	0	0	0	0	114
60	E	30.9	Very low	28.6	Very low	171 Å²	171	127.9 Å²	127.9	80%	0.799	76%	0.763	S	S	*	*			trans	62.6	145	130.7	-58.4	-155.1	117.4	0	0	121.6
61	T	31	Very low	28.8	Very low	92 Å²	92	126.6 Å²	126.6	56%	0.564	76%	0.755	S	S	*	*			cis	-162.4	155.1	-6.3	19.2	0	0	0	0	112.4
62	K	32.4	Very low	28.6	Very low	195 Å²	195	127.1 Å²	127.1	85%	0.848	75%	0.748	S	S	*	*			trans	66	158.2	143.6	-75	166.5	-173.3	170.6	0	118.4
63	S	29.4	Very low	28.6	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	75%	0.748	S	S	*	*			cis	-167.4	154.4	-15.2	-178.5	0	0	0	0	106.9
64	G	30.8	Very low	28.6	Very low	62 Å²	62	127.7 Å²	127.7	64%	0.639	74%	0.741	S	S	*	*			cis	169.6	-170	-2.7	0	0	0	0	0	111.7
65	E	31.6	Very low	28.9	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	75%	0.751	S	S	*	*			trans	67.7	146.4	165.9	-82.1	174.2	126.7	0	0	119.8
66	S	28.4	Very low	29.7	Very low	94 Å²	94	134.8 Å²	134.8	66%	0.657	75%	0.752	S	S	*	*			cis	-154	149.3	3.5	52.3	0	0	0	0	114.4
67	V	28.9	Very low	29.6	Very low	136 Å²	136	131 Å²	131	82%	0.824	74%	0.741	S	S	*	*			trans	69.2	157	147.9	156.7	0	0	0	0	117.7
68	I	33	Very low	29.5	Very low	137 Å²	137	136.2 Å²	136.2	70%	0.703	75%	0.746	S	S	*	*			cis	-172.2	163.4	-42.1	-139.9	177.1	0	0	0	105.7
69	M	29.7	Very low	29.3	Very low	129 Å²	129	133.8 Å²	133.8	64%	0.635	74%	0.74	S	S	*	*			cis	-117.7	-176.9	-5.5	-100	-178.6	80.9	0	0	107.8	T71	M69-T71 HydrophobicContact CE-CG2 4.03Å
70	E	27.6	Very low	29.1	Very low	158 Å²	158	135.1 Å²	135.1	74%	0.738	74%	0.739	S	S	*	*			cis	76.6	133.5	32.3	-49.3	-172.7	148.3	0	0	114.2
71	T	29.3	Very low	28.8	Very low	113 Å²	113	132.2 Å²	132.2	69%	0.693	74%	0.738	S	S	*	*			cis	-135.4	144.3	45.1	33.1	0	0	0	0	117.7	M69	M69-T71 HydrophobicContact CE-CG2 4.03Å
72	D	24.4	Very low	28.5	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	75%	0.752	S	S	*	*			trans	49.5	152.2	132.9	-84.8	-12.2	0	0	0	124.3
73	M	26.4	Very low	28.3	Very low	165 Å²	165	129.6 Å²	129.6	81%	0.813	75%	0.746	S	S	*	*			cis	-159.3	167.5	-18.4	-151.6	-167	-72	0	0	108.5
74	G	26.6	Very low	28	Very low	70 Å²	70	131.9 Å²	131.9	72%	0.722	75%	0.75	S	S	*	*			trans	126.4	98.2	152.4	0	0	0	0	0	118.9
75	R	29	Very low	27.8	Very low	245 Å²	245	133.7 Å²	133.7	93%	0.925	75%	0.752	S	S	*	*			trans	-149.9	173.8	151.7	-65.6	-167	-179	-159.5	2.5	106.5
76	P	44.3	Very low	27.7	Very low	113 Å²	113	134.3 Å²	134.3	73%	0.734	75%	0.745	S	S	*	*			cis	-133.8	-158	-4.4	30.3	-5.6	0	0	0	113.2
77	L	23.6	Very low	27.7	Very low	134 Å²	134	139.8 Å²	139.8	70%	0.702	75%	0.752	S	S	*	*			trans	100	131.9	134.8	-152.7	70.4	0	0	0	120.4
78	K	23.5	Very low	27.6	Very low	173 Å²	173	141.6 Å²	141.6	75%	0.752	75%	0.749	S	S	*	*			trans	28.6	139.8	151.6	-61.1	168.9	-175.1	173.1	0	119.9
79	T	26	Very low	27.3	Very low	127 Å²	127	146 Å²	146	78%	0.779	76%	0.757	S	S	*	*				-147.6	165.6	63.2	46	0	0	0	0	111.3
80	S	23.7	Very low	27.1	Very low	87 Å²	87	143.1 Å²	143.1	61%	0.608	76%	0.76	S	S	*	*			cis	93.1	114.4	13.3	82.3	0	0	0	0	118.5
81	S	25.5	Very low	27.1	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	76%	0.76	S	S	*	*			trans	71.9	160.9	165.5	88.4	0	0	0	0	116
82	N	24.6	Very low	27	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	77%	0.766	S	S	*	*			cis	-164.8	168.8	-16.1	-115.2	4.6	0	0	0	109.6
83	G	27.6	Very low	27.1	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	75%	0.753	S	S	*	*			trans	89.6	124.3	174	0	0	0	0	0	112.9
84	D	24	Very low	27.2	Very low	159 Å²	159	134.3 Å²	134.3	85%	0.85	73%	0.734	S	S	*	*			cis	71.7	82.2	18.2	-163.2	19.9	0	0	0	116.3
85	C	26.6	Very low	27.2	Very low	101 Å²	101	136.7 Å²	136.7	68%	0.682	73%	0.729	S	S	*	*			trans	-167.8	129.6	148.7	-109.7	0	0	0	0	115.5
86	R	29.6	Very low	26.9	Very low	205 Å²	205	127.8 Å²	127.8	77%	0.774	70%	0.702	S	S	*	*			trans	72.5	118.7	140.2	-60.8	168.8	-174	-156	-1	122.1
87	R	27.5	Very low	25.8	Very low	209 Å²	209	125.4 Å²	125.4	79%	0.789	69%	0.688	S	S	*	*				52.2	141.3	125.8	-54	176.1	179.5	174.9	-1.4	118.8
88	F	27.4	Very low	25.9	Very low	174 Å²	174	128.5 Å²	128.5	76%	0.763	69%	0.691	S	S	*	*			cis	-132.1	156.3	24.9	-85	-108.3	0	0	0	110.2
89	R	26.9	Very low	25.9	Very low	231 Å²	231	128.5 Å²	128.5	87%	0.872	69%	0.693	S	S	*	*			cis	74.2	109.6	35.7	-165.6	-167.7	-150.9	-132.4	7.5	113.4
90	G	25.7	Very low	25.9	Very low	68 Å²	68	127.1 Å²	127.1	70%	0.701	68%	0.684	S	S	*	*			cis	-154.3	-153	-1.9	0	0	0	0	0	109
91	S	26.9	Very low	26	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	69%	0.689	S	S	*	*			cis	-161.1	164.4	10	-69.3	0	0	0	0	111.2
92	L	27.7	Very low	25.9	Very low	153 Å²	153	131.3 Å²	131.3	80%	0.801	69%	0.686	S	S	*	*			trans	36.5	107.1	138.8	-64.8	175.7	0	0	0	118.7
93	S	26.7	Very low	26.1	Very low	63 Å²	63	127.7 Å²	127.7	44%	0.441	67%	0.673	S	S	.	*				84	-170.3	88.3	80	0	0	0	0	114.3	S1165	S93-S1165 VanDerWaalsContact CA-OG 3.3Å; S93-S1165 WeakPolarHBondContact CA-OG 3.49Å; S93-S1165 PolarHBondContact O-OG 3.47Å
94	S	26.8	Very low	26	Very low	60 Å²	60	130.7 Å²	130.7	42%	0.42	67%	0.673	S	S	.	*			trans	-87.8	179	-142.5	55.9	0	0	0	0	118.1	R1164	S94-R1164 CarbonylContact C-O 3.52Å; S94-R1164 VanDerWaalsContact CA-C 3.43Å; S94-R1164 VanDerWaalsContact CA-O 3.25Å; S94-R1164 WeakPolarHBondContact CA-O 3.45Å
95	I	27.1	Very low	26.2	Very low	119 Å²	119	128.6 Å²	128.6	61%	0.61	67%	0.671	S	S	*	*			trans	94.2	98.7	168	-37.4	-143.3	0	0	0	112.4	P1163 R1164	I95-P1163 HydrophobicContact CB-CB 4.3Å; I95-P1163 HydrophobicContact CD1-CB 3.86Å; I95-P1163 HydrophobicContact CG1-CB 3.59Å; I95-R1164 PolarHBondContact N-O 2.83Å; I95-R1164 VanDerWaalsContact N-O 3.16Å
96	T	22.9	Very low	26.4	Very low	59 Å²	59	128.6 Å²	128.6	36%	0.362	68%	0.677	S	S	.	*			cis	81.8	134.8	41.6	97.1	0	0	0	0	116.1	S1162 P1163 R1164	T96-S1162 PolarHBondContact OG1-O 3.48Å; T96-S1162 PolarHBondContact OG1-OG 3.17Å; T96-P1163 WeakPolarHBondContact OG1-CA 3.43Å; T96-R1164 HydrophobicContact CG2-CB 4.2Å
97	S	21.9	Very low	26.5	Very low	63 Å²	63	127.9 Å²	127.9	44%	0.441	68%	0.683	S	S	.	*			trans	78.3	141.6	157.2	-156.8	0	0	0	0	120.2	S1162	S97-S1162 VanDerWaalsContact CB-OG 3.24Å; S97-S1162 WeakPolarHBondContact CB-OG 3.11Å
98	R	24.2	Very low	26.6	Very low	199 Å²	199	121.7 Å²	121.7	75%	0.751	68%	0.676	S	S	*	*			trans	30	105.8	157.1	-69.9	-179.3	179.7	-173.6	-0.1	120.2
99	H	23.8	Very low	26.8	Very low	172 Å²	172	123.4 Å²	123.4	80%	0.796	68%	0.678	S	S	*	*				80.9	150.4	105.3	-138.5	-46.1	0	0	0	120
100	V	25.7	Very low	26.8	Very low	99 Å²	99	122 Å²	122	60%	0.6	67%	0.672	S	S	*	*			trans	77.9	150.6	159.4	-133.7	0	0	0	0	118.7
101	H	26	Very low	26.8	Very low	152 Å²	152	124.2 Å²	124.2	70%	0.704	67%	0.667	S	S	*	*			trans	76.1	127	161.8	-62.5	-61.6	0	0	0	118.2
102	D	25	Very low	26.8	Very low	133 Å²	133	126 Å²	126	71%	0.711	67%	0.667	S	S	*	*			cis	-161.6	-174.9	-12.2	-139	-13.4	0	0	0	115.3
103	S	27.7	Very low	26.8	Very low	86 Å²	86	123.6 Å²	123.6	60%	0.601	66%	0.659	S	S	*	*			trans	92.3	94.3	150.3	-77.6	0	0	0	0	120.2
104	D	26	Very low	26.8	Very low	133 Å²	133	128.9 Å²	128.9	71%	0.711	68%	0.677	S	S	*	*				83.5	111.4	109.9	-66.3	-51.6	0	0	0	122.1
105	S	28.7	Very low	26.6	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	69%	0.689	S	S	*	*				90.4	178.6	122.9	82	0	0	0	0	120.5
106	A	30.6	Very low	26.5	Very low	100 Å²	100	131.3 Å²	131.3	83%	0.826	70%	0.702	S	S	*	*			trans	72.1	94	177	0	0	0	0	0	117.8
107	E	30.2	Very low	26.7	Very low	191 Å²	191	133.8 Å²	133.8	89%	0.893	72%	0.717	S	S	*	*			trans	-62.9	152.4	169.8	-66.5	175.6	83	0	0	115.7
108	A	30.4	Very low	26.8	Very low	78 Å²	78	137 Å²	137	65%	0.645	73%	0.734	S	S	*	*			trans	68.1	118.9	132.3	0	0	0	0	0	123.3
109	R	31.5	Very low	27.9	Very low	211 Å²	211	132.5 Å²	132.5	80%	0.796	73%	0.73	S	S	*	*				76.7	135.4	123.4	-81.5	-178.1	167.4	-177.1	-1.1	121.4
110	R	28.1	Very low	28.1	Very low	201 Å²	201	128.7 Å²	128.7	76%	0.758	72%	0.723	S	S	*	*			trans	71.5	157.5	141.7	-72.6	-178	160.9	-154.2	-5.8	115.8
111	L	26	Very low	28.2	Very low	114 Å²	114	132 Å²	132	60%	0.597	73%	0.732	S	S	*	*			cis	-147.1	158.6	-17.7	-96.4	154.3	0	0	0	105.4
112	I	26.5	Very low	28.1	Very low	144 Å²	144	132.4 Å²	132.4	74%	0.738	73%	0.734	S	S	*	*				29	121.5	96.3	-36.2	-179.2	0	0	0	112.2
113	T	26.7	Very low	28.2	Very low	104 Å²	104	130.6 Å²	130.6	64%	0.638	73%	0.732	S	S	*	*				-150	-169.6	55.5	55.5	0	0	0	0	111.1
114	E	26.4	Very low	29.7	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	74%	0.738	S	S	*	*			cis	-150.9	169.6	-9.3	-120.6	124.4	-167.2	0	0	104.1
115	G	23.9	Very low	30.7	Very low	65 Å²	65	131.7 Å²	131.7	67%	0.67	74%	0.744	S	S	*	*			cis	106.6	93.9	24.2	0	0	0	0	0	111
116	D	25.3	Very low	30.7	Very low	166 Å²	166	129.8 Å²	129.8	89%	0.888	74%	0.743	S	S	*	*			trans	-163.9	169.6	150.2	-126.1	-27.7	0	0	0	114.4
117	V	26.7	Very low	30.8	Very low	111 Å²	111	129.6 Å²	129.6	67%	0.673	74%	0.741	S	S	*	*			trans	-146	129.8	-148.5	159.7	0	0	0	0	115.6
118	T	24.5	Very low	30.8	Very low	130 Å²	130	128.7 Å²	128.7	80%	0.798	74%	0.741	S	S	*	*			trans	66.1	179.4	159.2	63.9	0	0	0	0	117.6
119	P	46.3	Very low	30.7	Very low	105 Å²	105	128.2 Å²	128.2	68%	0.682	74%	0.744	S	S	*	*			cis	-139.7	-173.7	1.9	45.6	-27.6	0	0	0	118.2
120	S	27.2	Very low	30.6	Very low	91 Å²	91	125.2 Å²	125.2	64%	0.636	74%	0.744	S	S	*	*			trans	70.7	171.1	148.3	-62.3	0	0	0	0	121.1
121	E	28.3	Very low	30.5	Very low	169 Å²	169	125 Å²	125	79%	0.79	75%	0.751	S	S	*	*				-177.5	178	-52.9	-95.3	152.6	142.3	0	0	107.5
122	E	25.3	Very low	30.9	Very low	161 Å²	161	128.4 Å²	128.4	75%	0.752	76%	0.764	S	S	*	*			cis	-158	157.8	11.8	-148.2	-156.4	111.5	0	0	112.6
123	S	26.3	Very low	31.8	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	76%	0.762	S	S	*	*			trans	63.6	157.2	144.5	-81.2	0	0	0	0	127.3
124	P	59.5	Low	32.1	Very low	114 Å²	114	129 Å²	129	74%	0.74	77%	0.77	S	S	*	*			trans	-104.1	-153	179.2	46.6	-39.4	0	0	0	112
125	P	45.5	Very low	32.2	Very low	128 Å²	128	129.9 Å²	129.9	83%	0.831	77%	0.774	S	S	*	*			cis	-139.5	-168.5	-4.3	44.3	-24.5	0	0	0	116.8
126	G	29.2	Very low	32.3	Very low	76 Å²	76	130.4 Å²	130.4	78%	0.784	78%	0.78	S	S	*	*			trans	173	155.3	166.8	0	0	0	0	0	114.6
127	A	32.4	Very low	32.6	Very low	96 Å²	96	126.9 Å²	126.9	79%	0.793	77%	0.774	S	S	*	*			trans	-163.3	173	-176.6	0	0	0	0	0	116.1
128	I	31.2	Very low	32.7	Very low	171 Å²	171	131.5 Å²	131.5	88%	0.877	79%	0.788	S	S	*	*			trans	86.2	135.8	164.8	-51.1	174.6	0	0	0	118
129	G	27.7	Very low	32.8	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	78%	0.784	S	S	*	*			trans	167.8	139.7	168.4	0	0	0	0	0	112.9
130	D	28.9	Very low	32.2	Very low	148 Å²	148	128.2 Å²	128.2	79%	0.791	79%	0.79	S	S	*	*			trans	-118.4	163.6	-164	-74.2	-68.5	0	0	0	116.6
131	E	26.2	Very low	32.3	Very low	196 Å²	196	130 Å²	130	92%	0.916	80%	0.803	S	S	*	*			trans	67.6	161	154.4	-77.4	-172.4	102.6	0	0	123.8
132	Q	35.1	Very low	32.3	Very low	186 Å²	186	125.8 Å²	125.8	87%	0.869	81%	0.805	S	S	*	*			trans	-97.3	179.7	-177.1	-83.1	-175.8	-98.6	0	0	110.9
133	P	44.8	Very low	32.3	Very low	106 Å²	106	122 Å²	122	69%	0.688	81%	0.808	S	S	*	*			cis	-147	177.8	19.3	46.6	-27.3	0	0	0	119.7
134	D	33	Very low	32.4	Very low	153 Å²	153	121.9 Å²	121.9	82%	0.818	81%	0.813	S	S	*	*			trans	64.6	160.6	143.4	-108.3	-45.4	0	0	0	125.8
135	E	28.3	Very low	31	Very low	192 Å²	192	124.7 Å²	124.7	90%	0.897	82%	0.817	S	S	*	*			trans	60.9	154.1	175.4	-59.9	-160.4	105.5	0	0	117.9
136	G	26.7	Very low	30.1	Very low	77 Å²	77	123.6 Å²	123.6	79%	0.794	81%	0.807	S	S	*	*			cis	-168.4	167.7	-2.3	0	0	0	0	0	110.8
137	A	31.6	Very low	29.8	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	81%	0.807	S	S	*	*			trans	-117.1	148.9	-161.5	0	0	0	0	0	117.5
138	Q	27.6	Very low	30.5	Very low	207 Å²	207	127.9 Å²	127.9	97%	0.967	81%	0.806	S	S	*	*			trans	-179.1	161.5	157.9	-102.3	150.6	80.8	0	0	110.4
139	G	27.9	Very low	31.6	Very low	69 Å²	69	125 Å²	125	71%	0.711	80%	0.798	S	S	*	*			cis	165.1	84.7	-7.1	0	0	0	0	0	116.5
140	A	33.6	Very low	31.7	Very low	97 Å²	97	128 Å²	128	80%	0.802	80%	0.798	S	S	*	*			trans	68.5	147.2	154.3	0	0	0	0	0	123.8
141	S	29.9	Very low	31.7	Very low	129 Å²	129	129 Å²	129	90%	0.902	80%	0.798	S	S	*	*			trans	65.1	150.4	159.9	67	0	0	0	0	120
142	G	27	Very low	32.1	Very low	81 Å²	81	129 Å²	129	84%	0.835	80%	0.798	S	S	*	*			cis	150.4	141.8	-12.9	0	0	0	0	0	114.2
143	G	26.5	Very low	31.7	Very low	80 Å²	80	125.3 Å²	125.3	83%	0.825	80%	0.799	S	S	*	*			trans	138.4	120.7	159.9	0	0	0	0	0	120.6
144	A	28.8	Very low	30.8	Very low	93 Å²	93	124 Å²	124	77%	0.769	80%	0.804	S	S	*	*			trans	68.1	116.4	134	0	0	0	0	0	125.4
145	Q	29.7	Very low	30.4	Very low	173 Å²	173	125.6 Å²	125.6	81%	0.808	80%	0.804	S	S	*	*				87.5	114.6	122.3	-82.5	-175.8	-59.6	0	0	125.7
146	T	26.3	Very low	30.6	Very low	104 Å²	104	122.6 Å²	122.6	64%	0.638	79%	0.793	S	S	*	*			trans	65.1	119	133.1	51.1	0	0	0	0	124.1
147	D	23.6	Very low	30.6	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	79%	0.79	S	S	*	*				63.7	163.1	126.5	-56.3	-3.3	0	0	0	121.7
148	P	46.9	Very low	30.6	Very low	118 Å²	118	128.7 Å²	128.7	77%	0.766	79%	0.786	S	S	*	*			cis	-122.9	-125.3	-44.6	29.8	-8.3	0	0	0	112.5
149	P	53.3	Low	30.6	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	78%	0.776	S	S	*	*				-127	179.8	-99.2	38.7	-20.7	0	0	0	117.4
150	D	29.5	Very low	30.6	Very low	131 Å²	131	125.7 Å²	125.7	70%	0.701	78%	0.778	S	S	*	*			trans	101.5	147.4	134	-140.7	20.1	0	0	0	122.7
151	Q	28.7	Very low	30.8	Very low	169 Å²	169	128.8 Å²	128.8	79%	0.79	78%	0.779	S	S	*	*			trans	73.3	160	160.2	-79	167	60.8	0	0	122.9
152	Q	35	Very low	30.8	Very low	197 Å²	197	128.9 Å²	128.9	92%	0.921	77%	0.769	S	S	*	*			trans	-115	141.9	-157.8	-59.1	174	-51	0	0	113.9
153	A	27	Very low	31	Very low	108 Å²	108	132.9 Å²	132.9	89%	0.893	77%	0.766	S	S	*	*			trans	-149.3	159.9	148.6	0	0	0	0	0	108.8
154	G	26.6	Very low	31.3	Very low	77 Å²	77	136.7 Å²	136.7	79%	0.794	77%	0.766	S	S	*	*			trans	-121.1	-154.6	-175.2	0	0	0	0	0	114.4
155	F	24.8	Very low	31.6	Very low	187 Å²	187	138.1 Å²	138.1	82%	0.82	76%	0.76	S	S	*	*			trans	105	94.9	167.6	-144.7	-92.5	0	0	0	117.7
156	I	31	Very low	32.2	Very low	130 Å²	130	135.9 Å²	135.9	67%	0.667	76%	0.76	S	S	*	*				40.7	119.7	129.2	-58	175.3	0	0	0	116.2
157	K	27.3	Very low	32.9	Very low	165 Å²	165	136.3 Å²	136.3	72%	0.717	76%	0.759	S	S	*	*			cis	164.3	140	22	162.3	-163.8	172	-168.1	0	107.7
158	L	31.4	Very low	33.9	Very low	132 Å²	132	133.5 Å²	133.5	69%	0.691	74%	0.744	S	S	*	*			trans	62.5	153.9	167.7	-90.5	57.6	0	0	0	116.4
159	D	28.9	Very low	33.8	Very low	141 Å²	141	131.4 Å²	131.4	75%	0.754	74%	0.737	S	S	*	*			cis	-141.1	161.9	2.6	-129.3	-34	0	0	0	110.8
160	G	26.3	Very low	33.5	Very low	72 Å²	72	128.2 Å²	128.2	74%	0.742	72%	0.724	S	S	*	*			trans	173.9	111.6	178.2	0	0	0	0	0	113.6
161	I	37.9	Very low	34.4	Very low	161 Å²	161	127.8 Å²	127.8	83%	0.826	72%	0.721	S	S	*	*			trans	-108.4	130.3	-174	-58.6	164.4	0	0	0	109.3
162	D	30.3	Very low	35.3	Very low	132 Å²	132	128.5 Å²	128.5	71%	0.706	72%	0.718	S	S	*	*			trans	-155.4	151.2	144.3	-134.8	-31.8	0	0	0	114.5
163	Q	31.9	Very low	35.8	Very low	164 Å²	164	124.9 Å²	124.9	77%	0.766	70%	0.701	S	S	*	*			trans	35.9	106.3	164	-78	150.7	77.2	0	0	121	L165	Q163-L165 PolarHBondContact O-N 3.48Å
164	I	32.4	Very low	37	Very low	161 Å²	161	122.3 Å²	122.3	83%	0.826	68%	0.68	S	S	*	*			trans	-75.3	116.4	160.4	-61.8	171	0	0	0	109.4
165	L	35.3	Very low	38.8	Very low	123 Å²	123	120.6 Å²	120.6	64%	0.644	66%	0.662	S	S	*	*			trans	-75	141.3	171.1	-165.6	72.8	0	0	0	110.1	Q163 D167	Q163-L165 PolarHBondContact O-N 3.48Å; L165-D167 HydrophobicContact CD2-CB 4.33Å; L165-D167 PolarHBondContact O-N 3.28Å
166	P	41.8	Very low	40.8	Very low	125 Å²	125	117.7 Å²	117.7	81%	0.812	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	27.5	-175.1	30.9	-37.6	0	0	0	115.5
167	D	40.3	Very low	42.4	Very low	114 Å²	114	115.2 Å²	115.2	61%	0.61	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-27.1	-174.9	-143.3	5.6	0	0	0	112.8	L165 A169 G170 L171	L165-D167 HydrophobicContact CD2-CB 4.33Å; L165-D167 PolarHBondContact O-N 3.28Å; D167-A169 PolarHBondContact O-N 3Å; D167-A169 VanDerWaalsContact O-N 3.17Å; D167-G170 WeakPolarHBondContact O-CA 3.26Å; D167-G170 PolarHBondContact O-N 3.22Å; D167-L171 PolarHBondContact O-N 2.99Å
168	D	45.6	Very low	44.3	Very low	84 Å²	84	112 Å²	112	45%	0.449	62%	0.624	S	S	.	*	H	α-helix	trans	-60.7	-28.5	178.1	-92.8	-42.4	0	0	0	113.2	G170 L171 Y172	D168-G170 PolarHBondContact O-N 3.19Å; D168-L171 PolarHBondContact O-N 2.73Å; D168-Y172 WeakPolarHBondContact O-CD2 3.39Å; D168-Y172 PolarHBondContact O-N 2.8Å
169	A	45.4	Very low	46.2	Very low	75 Å²	75	115.4 Å²	115.4	62%	0.62	63%	0.628	S	S	*	*	H	α-helix	trans	-57.4	-37	172.5	0	0	0	0	0	111.7	D167 Q173	D167-A169 PolarHBondContact O-N 3Å; D167-A169 VanDerWaalsContact O-N 3.17Å; A169-Q173 WeakPolarHBondContact O-CB 3.34Å; A169-Q173 PolarHBondContact O-N 3.14Å
170	G	45.7	Very low	48.1	Very low	45 Å²	45	112.8 Å²	112.8	46%	0.464	61%	0.611	S	S	.	*	H	α-helix	trans	-66.7	-43.7	175.3	0	0	0	0	0	112.5	D167 D168 Q173 A174	D167-G170 WeakPolarHBondContact O-CA 3.26Å; D167-G170 PolarHBondContact O-N 3.22Å; D168-G170 PolarHBondContact O-N 3.19Å; G170-Q173 PolarHBondContact O-N 2.8Å; G170-A174 WeakPolarHBondContact O-CB 3.48Å; G170-A174 PolarHBondContact O-N 2.81Å
171	L	48.2	Very low	50	Low	121 Å²	121	111.6 Å²	111.6	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-70	-40.7	179.3	-78.7	167.1	0	0	0	113	D167 D168 A174 G175	D167-L171 PolarHBondContact O-N 2.99Å; D168-L171 PolarHBondContact O-N 2.73Å; L171-A174 PolarHBondContact O-N 2.99Å; L171-G175 PolarHBondContact O-N 3.35Å
172	Y	48	Very low	51.4	Low	184 Å²	184	105 Å²	105	72%	0.722	56%	0.56	S	S	*	*	H	α-helix	trans	-67.6	-39.8	173.6	-86.6	-91.5	0	0	0	112.1	D168 G175 F176	D168-Y172 WeakPolarHBondContact O-CD2 3.39Å; D168-Y172 PolarHBondContact O-N 2.8Å; Y172-G175 PolarHBondContact O-N 3.34Å; Y172-F176 VanDerWaalsContact O-CB 3.28Å; Y172-F176 WeakPolarHBondContact O-CB 3.27Å; Y172-F176 PolarHBondContact O-N 3.39Å
173	Q	45.6	Very low	53.1	Low	121 Å²	121	101.4 Å²	101.4	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-63.8	-45.1	174.2	-169.9	82.7	-19.6	0	0	111.3	A169 G170 F176 I177	A169-Q173 WeakPolarHBondContact O-CB 3.34Å; A169-Q173 PolarHBondContact O-N 3.14Å; G170-Q173 PolarHBondContact O-N 2.8Å; Q173-F176 PolarHBondContact O-N 2.67Å; Q173-I177 HydrophobicContact CG-CD1 4.04Å; Q173-I177 WeakPolarHBondContact O-CB 3.29Å; Q173-I177 VanDerWaalsContact O-CG1 3.26Å; Q173-I177 WeakPolarHBondContact O-CG1 3.3Å; Q173-I177 PolarHBondContact O-N 3.18Å
174	A	52.6	Low	54.7	Low	54 Å²	54	94.8 Å²	94.8	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-41.3	176.6	0	0	0	0	0	112	G170 L171 I177 H178	G170-A174 WeakPolarHBondContact O-CB 3.48Å; G170-A174 PolarHBondContact O-N 2.81Å; L171-A174 PolarHBondContact O-N 2.99Å; A174-I177 PolarHBondContact O-N 2.98Å; A174-H178 WeakPolarHBondContact O-CB 3.27Å; A174-H178 PolarHBondContact O-N 3.36Å
175	G	63.6	Low	56.4	Low	41 Å²	41	87.9 Å²	87.9	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-39.8	174.7	0	0	0	0	0	112.8	L171 Y172 R179	L171-G175 PolarHBondContact O-N 3.35Å; Y172-G175 PolarHBondContact O-N 3.34Å; G175-R179 WeakPolarHBondContact O-CB 3.32Å; G175-R179 PolarHBondContact O-N 3.45Å
176	F	66.4	Low	58.3	Low	126 Å²	126	83.1 Å²	83.1	55%	0.553	46%	0.456	S	S	*	.	H	α-helix	trans	-64	-49.9	173.5	-179.2	-94	0	0	0	111.3	Y172 Q173 H178 R179 Q180	Y172-F176 VanDerWaalsContact O-CB 3.28Å; Y172-F176 WeakPolarHBondContact O-CB 3.27Å; Y172-F176 PolarHBondContact O-N 3.39Å; Q173-F176 PolarHBondContact O-N 2.67Å; F176-H178 PolarHBondContact O-N 2.93Å; F176-R179 PolarHBondContact O-N 2.88Å; F176-Q180 WeakPolarHBondContact O-CB 3.41Å; F176-Q180 PolarHBondContact O-N 3.33Å
177	I	66.3	Low	59.8	Low	79 Å²	79	77.1 Å²	77.1	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-46.7	177.1	-70.7	167.6	0	0	0	110.6	Q173 A174 R179 Q180 L181	Q173-I177 HydrophobicContact CG-CD1 4.04Å; Q173-I177 WeakPolarHBondContact O-CB 3.29Å; Q173-I177 VanDerWaalsContact O-CG1 3.26Å; Q173-I177 WeakPolarHBondContact O-CG1 3.3Å; Q173-I177 PolarHBondContact O-N 3.18Å; A174-I177 PolarHBondContact O-N 2.98Å; I177-R179 PolarHBondContact O-N 2.85Å; I177-Q180 PolarHBondContact O-N 2.88Å; I177-L181 HydrophobicContact CG2-CD1 3.57Å; I177-L181 HydrophobicContact CG2-CG 4.17Å; I177-L181 WeakPolarHBondContact O-CB 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.39Å
178	H	67.5	Low	61.5	Low	98 Å²	98	72.2 Å²	72.2	45%	0.454	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-42	177.3	-177.2	-93.8	0	0	0	112.2	A174 F176 Q180 G182 W216	A174-H178 WeakPolarHBondContact O-CB 3.27Å; A174-H178 PolarHBondContact O-N 3.36Å; F176-H178 PolarHBondContact O-N 2.93Å; H178-Q180 VanDerWaalsContact C-N 3.33Å; H178-Q180 PolarHBondContact O-N 2.84Å; H178-G182 PolarHBondContact O-N 2.88Å; H178-W216 AromaticContact CD2-CZ2 3.9Å
179	R	69.8	Low	63.3	Low	202 Å²	202	71.3 Å²	71.3	76%	0.762	39%	0.391	S	S	*	.	H	α-helix	trans	-64.6	-38.1	174.8	-175.9	175	-178.4	169	0.6	111.8	G175 F176 I177 A183	G175-R179 WeakPolarHBondContact O-CB 3.32Å; G175-R179 PolarHBondContact O-N 3.45Å; F176-R179 PolarHBondContact O-N 2.88Å; I177-R179 PolarHBondContact O-N 2.85Å; R179-A183 VanDerWaalsContact O-CB 3.3Å; R179-A183 WeakPolarHBondContact O-CB 3.48Å; R179-A183 PolarHBondContact O-N 3.33Å
180	Q	68.6	Low	64.8	Low	86 Å²	86	70 Å²	70	40%	0.402	37%	0.373	S	S	.	.	H	α-helix	trans	-68	-54.3	177.4	-159.8	173.8	9.9	0	0	110.3	F176 I177 H178 G182 A183 M184	F176-Q180 WeakPolarHBondContact O-CB 3.41Å; F176-Q180 PolarHBondContact O-N 3.33Å; I177-Q180 PolarHBondContact O-N 2.88Å; H178-Q180 VanDerWaalsContact C-N 3.33Å; H178-Q180 PolarHBondContact O-N 2.84Å; Q180-G182 VanDerWaalsContact C-N 3.27Å; Q180-G182 PolarHBondContact O-N 2.73Å; Q180-A183 PolarHBondContact O-N 3.06Å; Q180-M184 VanDerWaalsContact C-SD 3.58Å; Q180-M184 HydrophobicContact CG-CE 3.74Å; Q180-M184 HydrophobicContact CG-SD 4.12Å; Q180-M184 VanDerWaalsContact O-CB 3.25Å; Q180-M184 WeakPolarHBondContact O-CB 3.46Å; Q180-M184 WeakPolarHBondContact O-CG 3.45Å; Q180-M184 PolarHBondContact O-N 3.07Å; Q180-M184 VanDerWaalsContact O-SD 3.34Å
181	L	67.5	Low	66.4	Low	47 Å²	47	76.3 Å²	76.3	25%	0.246	39%	0.388	C	S	.	.	H	α-helix	trans	-54.8	-40.4	174.4	-65.7	170.8	0	0	0	112.2	I177 M184 L185 W216 L226	I177-L181 HydrophobicContact CG2-CD1 3.57Å; I177-L181 HydrophobicContact CG2-CG 4.17Å; I177-L181 WeakPolarHBondContact O-CB 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.39Å; L181-M184 HydrophobicContact CD2-SD 4.1Å; L181-M184 WeakPolarHBondContact O-CB 3.49Å; L181-M184 PolarHBondContact O-N 2.98Å; L181-L185 WeakPolarHBondContact O-CG 3.43Å; L181-L185 PolarHBondContact O-N 3.01Å; L181-W216 HydrophobicContact CB-CH2 3.92Å; L181-W216 HydrophobicContact CB-CZ3 4.13Å; L181-W216 HydrophobicContact CD1-CH2 3.83Å; L181-W216 HydrophobicContact CD1-CZ3 4.42Å; L181-W216 HydrophobicContact CG-CH2 4.46Å; L181-L226 HydrophobicContact CD2-CD1 3.63Å; L181-L226 HydrophobicContact CD2-CD2 4.4Å; L181-L226 HydrophobicContact CD2-CG 3.98Å
182	G	67.3	Low	67.6	Low	24 Å²	24	72.4 Å²	72.4	25%	0.247	37%	0.366	C	S	.	.	H	α-helix	trans	-68.3	-42.5	176.8	0	0	0	0	0	114	H178 Q180 M184 Q186	H178-G182 PolarHBondContact O-N 2.88Å; Q180-G182 VanDerWaalsContact C-N 3.27Å; Q180-G182 PolarHBondContact O-N 2.73Å; G182-M184 VanDerWaalsContact C-N 3.25Å; G182-M184 PolarHBondContact O-N 2.73Å; G182-Q186 PolarHBondContact O-NE2 3.44Å
183	A	66	Low	69.1	Low	55 Å²	55	63.7 Å²	63.7	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-33.4	173.9	0	0	0	0	0	111.9	R179 Q180 L185	R179-A183 VanDerWaalsContact O-CB 3.3Å; R179-A183 WeakPolarHBondContact O-CB 3.48Å; R179-A183 PolarHBondContact O-N 3.33Å; Q180-A183 PolarHBondContact O-N 3.06Å; A183-L185 PolarHBondContact O-N 3.26Å
184	M	65.2	Low	70.9	Confident	25 Å²	25	61.2 Å²	61.2	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-18.8	-177.7	-77.4	165.8	159	0	0	115.5	Q180 L181 G182 Q186 S225 L226	Q180-M184 VanDerWaalsContact C-SD 3.58Å; Q180-M184 HydrophobicContact CG-CE 3.74Å; Q180-M184 HydrophobicContact CG-SD 4.12Å; Q180-M184 VanDerWaalsContact O-CB 3.25Å; Q180-M184 WeakPolarHBondContact O-CB 3.46Å; Q180-M184 WeakPolarHBondContact O-CG 3.45Å; Q180-M184 PolarHBondContact O-N 3.07Å; Q180-M184 VanDerWaalsContact O-SD 3.34Å; L181-M184 HydrophobicContact CD2-SD 4.1Å; L181-M184 WeakPolarHBondContact O-CB 3.49Å; L181-M184 PolarHBondContact O-N 2.98Å; G182-M184 VanDerWaalsContact C-N 3.25Å; G182-M184 PolarHBondContact O-N 2.73Å; M184-Q186 VanDerWaalsContact C-N 3.26Å; M184-S225 VanDerWaalsContact CE-OG 3.25Å; M184-S225 WeakPolarHBondContact CE-OG 3.42Å; M184-L226 HydrophobicContact CB-CB 3.54Å; M184-L226 HydrophobicContact CB-CD2 4.32Å; M184-L226 HydrophobicContact CB-CG 3.73Å; M184-L226 HydrophobicContact CG-CB 4.3Å; M184-L226 HydrophobicContact CG-CG 4.42Å; M184-L226 HydrophobicContact SD-CB 4.22Å; M184-L226 HydrophobicContact SD-CD1 4.47Å; M184-L226 HydrophobicContact SD-CG 3.84Å; M184-L226 PolarHBondContact SD-N 2.88Å; M184-L226 VanDerWaalsContact SD-N 3.38Å
185	L	68.9	Low	72.2	Confident	16 Å²	16	66.4 Å²	66.4	8%	0.084	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10	177.1	-74.3	169.2	0	0	0	113.8	L181 A183 W216 I218 H219 S222 L226	L181-L185 WeakPolarHBondContact O-CG 3.43Å; L181-L185 PolarHBondContact O-N 3.01Å; A183-L185 PolarHBondContact O-N 3.26Å; L185-W216 HydrophobicContact CD1-CB 4.39Å; L185-W216 HydrophobicContact CD1-CD2 4.33Å; L185-W216 HydrophobicContact CD1-CE3 4.03Å; L185-W216 HydrophobicContact CD1-CG 4.5Å; L185-I218 HydrophobicContact CD2-CB 4.31Å; L185-I218 HydrophobicContact CD2-CG1 3.63Å; L185-H219 WeakPolarHBondContact O-CB 3.45Å; L185-H219 PolarHBondContact O-N 2.99Å; L185-S222 WeakPolarHBondContact O-CB 3.46Å; L185-L226 HydrophobicContact CD2-CD2 3.65Å; L185-L226 HydrophobicContact CG-CD2 3.86Å
186	Q	73.3	Confident	72.9	Confident	23 Å²	23	67.3 Å²	67.3	11%	0.107	32%	0.324	C	S	.	.	S	Bend	trans	-98.5	159.8	-169.2	-56.2	166	27.6	0	0	110.4	G182 M184 G188 Q207 V210 S222 D223	G182-Q186 PolarHBondContact O-NE2 3.44Å; M184-Q186 VanDerWaalsContact C-N 3.26Å; Q186-G188 PolarHBondContact O-N 3.26Å; Q186-Q207 HydrophobicContact CB-CB 4.28Å; Q186-Q207 HydrophobicContact CB-CG 4.01Å; Q186-V210 HydrophobicContact CB-CG1 4.49Å; Q186-V210 HydrophobicContact CG-CB 4.3Å; Q186-V210 HydrophobicContact CG-CG1 3.86Å; Q186-S222 CarbonylContact O-C 3.56Å; Q186-S222 VanDerWaalsContact O-CA 3.23Å; Q186-S222 WeakPolarHBondContact O-CA 3.29Å; Q186-D223 PolarHBondContact O-N 2.98Å; Q186-D223 VanDerWaalsContact O-O 3.06Å
187	P	74.5	Confident	73.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.6	122.9	173.6	25.8	-32.1	0	0	0	111.5	F197 V203 E206 Q207 Y221	P187-F197 HydrophobicContact CB-CE2 4.49Å; P187-V203 HydrophobicContact CB-CG1 4.09Å; P187-V203 HydrophobicContact CG-CG1 4.22Å; P187-V203 VanDerWaalsContact O-CG1 3.32Å; P187-V203 WeakPolarHBondContact O-CG1 3.47Å; P187-E206 HydrophobicContact CG-CB 4.07Å; P187-E206 HydrophobicContact CG-CG 3.76Å; P187-Q207 HydrophobicContact CG-CG 4.04Å; P187-Q207 WeakPolarHBondContact O-CG 3.33Å; P187-Q207 PolarHBondContact O-NE2 3.34Å; P187-Y221 WeakPolarHBondContact CA-O 3.32Å
188	G	76.6	Confident	74.6	Confident	10 Å²	10	62.8 Å²	62.8	10%	0.103	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-79.5	155.2	172.2	0	0	0	0	0	111.3	Q186 N190 S193 D223	Q186-G188 PolarHBondContact O-N 3.26Å; G188-N190 PolarHBondContact O-N 2.9Å; G188-S193 WeakPolarHBondContact O-CB 3.36Å; G188-S193 PolarHBondContact O-OG 2.67Å; G188-D223 WeakPolarHBondContact CA-O 3.28Å; G188-D223 PolarHBondContact N-O 3.46Å
189	V	81.5	Confident	75.6	Confident	65 Å²	65	60.6 Å²	60.6	39%	0.394	32%	0.315	S	S	.	.	S	Bend	trans	-75.5	105.1	173.9	-173.4	0	0	0	0	108.1	L194 E200 V203	V189-L194 HydrophobicContact CG1-CD1 4.2Å; V189-L194 HydrophobicContact CG1-CD2 4.25Å; V189-L194 HydrophobicContact CG1-CG 4.28Å; V189-E200 HydrophobicContact CG1-CB 4.45Å; V189-E200 HydrophobicContact CG1-CG 4.04Å; V189-E200 HydrophobicContact CG2-CG 3.92Å; V189-V203 HydrophobicContact CG2-CG1 4.18Å
190	N	77.4	Confident	76.5	Confident	47 Å²	47	56.3 Å²	56.3	25%	0.251	30%	0.304	S	S	.	.	S	Bend	trans	-142.7	173.5	179.6	78.5	14.3	0	0	0	109.7	G188 F192 S193 L194 D223	G188-N190 PolarHBondContact O-N 2.9Å; N190-F192 PolarHBondContact O-N 2.99Å; N190-F192 WeakPolarHBondContact OD1-CA 3.35Å; N190-F192 WeakPolarHBondContact OD1-CB 3.32Å; N190-F192 PolarHBondContact OD1-N 3.17Å; N190-S193 PolarHBondContact N-OG 3.09Å; N190-S193 PolarHBondContact O-N 2.9Å; N190-S193 PolarHBondContact O-OG 3.23Å; N190-S193 PolarHBondContact OD1-N 3.38Å; N190-S193 PolarHBondContact OD1-OG 3.14Å; N190-L194 WeakPolarHBondContact O-CB 3.19Å; N190-L194 VanDerWaalsContact O-CG 3.26Å; N190-L194 WeakPolarHBondContact O-CG 3.4Å; N190-L194 PolarHBondContact O-N 2.93Å; N190-D223 PolarHBondContact ND2-OD2 2.98Å
191	K	79	Confident	77.5	Confident	178 Å²	178	59.3 Å²	59.3	77%	0.774	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-29.6	-178.5	-170.8	179.8	178.4	-173.8	0	113.2	R195	K191-R195 WeakPolarHBondContact O-CB 3.3Å; K191-R195 PolarHBondContact O-N 3.43Å; K191-R195 VanDerWaalsContact O-N 3.14Å
192	F	74.4	Confident	78.4	Confident	39 Å²	39	57.5 Å²	57.5	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-77.8	-47.5	-179.3	179.6	-85.8	0	0	0	111.9	N190 L194 R195 M196 Y221 I372 M375	N190-F192 PolarHBondContact O-N 2.99Å; N190-F192 WeakPolarHBondContact OD1-CA 3.35Å; N190-F192 WeakPolarHBondContact OD1-CB 3.32Å; N190-F192 PolarHBondContact OD1-N 3.17Å; F192-L194 VanDerWaalsContact C-N 3.33Å; F192-L194 PolarHBondContact O-N 3.27Å; F192-R195 CarbonylContact O-C 3.53Å; F192-R195 WeakPolarHBondContact O-CA 3.31Å; F192-R195 WeakPolarHBondContact O-CB 3.41Å; F192-R195 PolarHBondContact O-N 3.08Å; F192-M196 WeakPolarHBondContact O-CB 3.46Å; F192-M196 PolarHBondContact O-N 3.2Å; F192-Y221 AromaticContact CE1-CD1 3.48Å; F192-Y221 HydrophobicContact CE1-CD1 3.48Å; F192-Y221 VanDerWaalsContact CE1-CD1 3.48Å; F192-Y221 HydrophobicContact CE1-CD2 4.27Å; F192-Y221 AromaticContact CE1-CE1 3.8Å; F192-Y221 HydrophobicContact CE1-CE1 3.8Å; F192-Y221 AromaticContact CE1-CG 3.72Å; F192-Y221 HydrophobicContact CE1-CG 3.72Å; F192-Y221 AromaticContact CZ-CD1 4Å; F192-Y221 HydrophobicContact CZ-CD1 4Å; F192-Y221 AromaticContact CZ-CE1 3.88Å; F192-Y221 HydrophobicContact CZ-CE1 3.88Å; F192-I372 HydrophobicContact CD2-CG2 4.41Å; F192-I372 HydrophobicContact CE2-CB 4.43Å; F192-I372 HydrophobicContact CE2-CG1 4.11Å; F192-I372 HydrophobicContact CE2-CG2 4.25Å; F192-I372 HydrophobicContact CZ-CG1 4.23Å; F192-M375 HydrophobicContact CE2-CB 4.29Å
193	S	78.8	Confident	79.3	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-33.9	176.7	63.9	0	0	0	0	111.6	G188 N190 M196 F197	G188-S193 WeakPolarHBondContact O-CB 3.36Å; G188-S193 PolarHBondContact O-OG 2.67Å; N190-S193 PolarHBondContact N-OG 3.09Å; N190-S193 PolarHBondContact O-N 2.9Å; N190-S193 PolarHBondContact O-OG 3.23Å; N190-S193 PolarHBondContact OD1-N 3.38Å; N190-S193 PolarHBondContact OD1-OG 3.14Å; S193-M196 PolarHBondContact O-N 3.47Å; S193-F197 WeakPolarHBondContact O-CB 3.41Å; S193-F197 WeakPolarHBondContact O-CD2 3.46Å; S193-F197 PolarHBondContact O-N 2.94Å
194	L	83.3	Confident	80.3	Confident	69 Å²	69	58.3 Å²	58.3	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-33	168.9	-67.8	173.6	0	0	0	112.7	V189 N190 F192 G198 E200	V189-L194 HydrophobicContact CG1-CD1 4.2Å; V189-L194 HydrophobicContact CG1-CD2 4.25Å; V189-L194 HydrophobicContact CG1-CG 4.28Å; N190-L194 WeakPolarHBondContact O-CB 3.19Å; N190-L194 VanDerWaalsContact O-CG 3.26Å; N190-L194 WeakPolarHBondContact O-CG 3.4Å; N190-L194 PolarHBondContact O-N 2.93Å; F192-L194 VanDerWaalsContact C-N 3.33Å; F192-L194 PolarHBondContact O-N 3.27Å; L194-G198 CarbonylContact O-C 3.53Å; L194-G198 WeakPolarHBondContact O-CA 3.27Å; L194-G198 PolarHBondContact O-N 3.39Å; L194-E200 HydrophobicContact CD2-CB 4.24Å
195	R	80.9	Confident	81.3	Confident	163 Å²	163	64 Å²	64	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-72	-33.2	172.2	-174.5	175.6	-179.9	153.4	8.8	112.6	K191 F192 M375	K191-R195 WeakPolarHBondContact O-CB 3.3Å; K191-R195 PolarHBondContact O-N 3.43Å; K191-R195 VanDerWaalsContact O-N 3.14Å; F192-R195 CarbonylContact O-C 3.53Å; F192-R195 WeakPolarHBondContact O-CA 3.31Å; F192-R195 WeakPolarHBondContact O-CB 3.41Å; F192-R195 PolarHBondContact O-N 3.08Å; R195-M375 PolarHBondContact NH1-O 2.96Å
196	M	76.7	Confident	82.1	Confident	60 Å²	60	64.1 Å²	64.1	30%	0.296	32%	0.316	S	S	.	.	H	α-helix	trans	-84.5	-45.8	-176.7	-167.6	67.1	-175.8	0	0	113.1	F192 S193 Y221 N291	F192-M196 WeakPolarHBondContact O-CB 3.46Å; F192-M196 PolarHBondContact O-N 3.2Å; S193-M196 PolarHBondContact O-N 3.47Å; M196-Y221 HydrophobicContact CE-CE2 3.95Å; M196-Y221 HydrophobicContact CG-CD2 4.37Å; M196-Y221 HydrophobicContact CG-CE2 4Å; M196-Y221 HydrophobicContact SD-CE2 4.43Å; M196-N291 HydrophobicContact CE-CB 3.98Å; M196-N291 VanDerWaalsContact CE-O 3.29Å; M196-N291 WeakPolarHBondContact CE-O 3.34Å
197	F	82.8	Confident	82.6	Confident	47 Å²	47	65 Å²	65	21%	0.206	32%	0.32	C	S	.	.	H	α-helix	trans	-100.1	-4.8	-177.6	-57	-74.1	0	0	0	113.1	P187 S193 S199 A202 V203 E206 H219 Y221 I294	P187-F197 HydrophobicContact CB-CE2 4.49Å; S193-F197 WeakPolarHBondContact O-CB 3.41Å; S193-F197 WeakPolarHBondContact O-CD2 3.46Å; S193-F197 PolarHBondContact O-N 2.94Å; F197-S199 PolarHBondContact O-N 3.42Å; F197-A202 HydrophobicContact CB-CB 3.87Å; F197-A202 WeakPolarHBondContact O-CB 3.44Å; F197-V203 HydrophobicContact CB-CG2 4.13Å; F197-V203 HydrophobicContact CD2-CG2 4.07Å; F197-V203 HydrophobicContact CG-CG2 4.46Å; F197-E206 HydrophobicContact CE1-CB 4.37Å; F197-E206 HydrophobicContact CE1-CG 3.97Å; F197-E206 HydrophobicContact CZ-CG 3.92Å; F197-H219 AromaticContact CZ-CE1 3.68Å; F197-H219 AromaticContact CZ-NE2 3.7Å; F197-Y221 HydrophobicContact CE2-CD2 4.34Å; F197-Y221 HydrophobicContact CZ-CD2 4.19Å; F197-I294 HydrophobicContact CE1-CD1 4.03Å; F197-I294 HydrophobicContact CZ-CD1 3.75Å
198	G	86	Confident	83.2	Confident	63 Å²	63	70.6 Å²	70.6	65%	0.649	35%	0.346	S	S	*	.	S	Bend	trans	77.6	-27.4	173	0	0	0	0	0	116.4	L194	L194-G198 CarbonylContact O-C 3.53Å; L194-G198 WeakPolarHBondContact O-CA 3.27Å; L194-G198 PolarHBondContact O-N 3.39Å
199	S	88.8	Confident	83.6	Confident	53 Å²	53	74.4 Å²	74.4	37%	0.371	36%	0.357	S	S	.	.	S	Bend	trans	-154.3	154.9	-178.5	60.1	0	0	0	0	113	F197 K201 A202 V203	F197-S199 PolarHBondContact O-N 3.42Å; S199-K201 VanDerWaalsContact C-N 3.32Å; S199-K201 PolarHBondContact O-N 2.86Å; S199-A202 WeakPolarHBondContact O-CA 3.41Å; S199-A202 VanDerWaalsContact O-CB 3.32Å; S199-A202 WeakPolarHBondContact O-CB 3.45Å; S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 WeakPolarHBondContact OG-CB 3.39Å; S199-A202 PolarHBondContact OG-N 3.1Å; S199-V203 PolarHBondContact O-N 3.25Å; S199-V203 VanDerWaalsContact O-N 3.09Å
200	E	89.1	Confident	83.7	Confident	112 Å²	112	71.7 Å²	71.7	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-56.5	-44.8	176.7	-176.2	162.7	-146	0	0	111.6	V189 L194 A202 V203 E204	V189-E200 HydrophobicContact CG1-CB 4.45Å; V189-E200 HydrophobicContact CG1-CG 4.04Å; V189-E200 HydrophobicContact CG2-CG 3.92Å; L194-E200 HydrophobicContact CD2-CB 4.24Å; E200-A202 PolarHBondContact O-N 2.87Å; E200-A202 VanDerWaalsContact O-N 3.14Å; E200-V203 CarbonylContact O-C 3.51Å; E200-V203 WeakPolarHBondContact O-CA 3.26Å; E200-V203 WeakPolarHBondContact O-CB 3.47Å; E200-V203 PolarHBondContact O-N 2.87Å; E200-E204 WeakPolarHBondContact O-CG 3.26Å; E200-E204 PolarHBondContact O-N 3.39Å
201	K	88.6	Confident	83.9	Confident	149 Å²	149	75 Å²	75	65%	0.648	35%	0.353	S	S	*	.	H	α-helix	trans	-65.4	-13.6	174	-172.5	166.3	-177.4	172.5	0	114.9	S199 E204 R205	S199-K201 VanDerWaalsContact C-N 3.32Å; S199-K201 PolarHBondContact O-N 2.86Å; K201-E204 WeakPolarHBondContact CA-OE2 3.44Å; K201-R205 WeakPolarHBondContact O-CG 3.26Å; K201-R205 PolarHBondContact O-NE 2.64Å
202	A	86.9	Confident	84.1	Confident	9 Å²	9	71 Å²	71	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-84.8	-38.1	167.1	0	0	0	0	0	111.7	F197 S199 E200 R205 E206	F197-A202 HydrophobicContact CB-CB 3.87Å; F197-A202 WeakPolarHBondContact O-CB 3.44Å; S199-A202 WeakPolarHBondContact O-CA 3.41Å; S199-A202 VanDerWaalsContact O-CB 3.32Å; S199-A202 WeakPolarHBondContact O-CB 3.45Å; S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 WeakPolarHBondContact OG-CB 3.39Å; S199-A202 PolarHBondContact OG-N 3.1Å; E200-A202 PolarHBondContact O-N 2.87Å; E200-A202 VanDerWaalsContact O-N 3.14Å; A202-R205 VanDerWaalsContact CB-NH2 3.31Å; A202-R205 PolarHBondContact O-N 2.82Å; A202-E206 PolarHBondContact O-N 3.07Å
203	V	86.4	Confident	84.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-45.1	170.4	-177.2	0	0	0	0	110.6	P187 V189 F197 S199 E200 R205 E206 Q207	P187-V203 HydrophobicContact CB-CG1 4.09Å; P187-V203 HydrophobicContact CG-CG1 4.22Å; P187-V203 VanDerWaalsContact O-CG1 3.32Å; P187-V203 WeakPolarHBondContact O-CG1 3.47Å; V189-V203 HydrophobicContact CG2-CG1 4.18Å; F197-V203 HydrophobicContact CB-CG2 4.13Å; F197-V203 HydrophobicContact CD2-CG2 4.07Å; F197-V203 HydrophobicContact CG-CG2 4.46Å; S199-V203 PolarHBondContact O-N 3.25Å; S199-V203 VanDerWaalsContact O-N 3.09Å; E200-V203 CarbonylContact O-C 3.51Å; E200-V203 WeakPolarHBondContact O-CA 3.26Å; E200-V203 WeakPolarHBondContact O-CB 3.47Å; E200-V203 PolarHBondContact O-N 2.87Å; V203-R205 PolarHBondContact O-N 3.28Å; V203-E206 CarbonylContact O-C 3.57Å; V203-E206 WeakPolarHBondContact O-CA 3.29Å; V203-E206 WeakPolarHBondContact O-CB 3.19Å; V203-E206 PolarHBondContact O-N 2.87Å; V203-E206 VanDerWaalsContact O-N 3.09Å; V203-Q207 WeakPolarHBondContact O-CG 3.3Å; V203-Q207 PolarHBondContact O-N 2.9Å
204	E	86.7	Confident	83.8	Confident	95 Å²	95	72.1 Å²	72.1	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-55.8	-48.6	175.6	-69.3	179.4	137.7	0	0	112.6	E200 K201 E206 Q207 E208	E200-E204 WeakPolarHBondContact O-CG 3.26Å; E200-E204 PolarHBondContact O-N 3.39Å; K201-E204 WeakPolarHBondContact CA-OE2 3.44Å; E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 3.2Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 2.74Å; E204-Q207 VanDerWaalsContact O-N 3.12Å; E204-E208 WeakPolarHBondContact O-CG 3.36Å; E204-E208 PolarHBondContact O-N 3.08Å
205	R	86.9	Confident	83.4	Confident	145 Å²	145	76.2 Å²	76.2	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-33.9	176.1	-74.1	179.6	-65.2	119	-8.1	112.4	K201 A202 V203 E208 R209	K201-R205 WeakPolarHBondContact O-CG 3.26Å; K201-R205 PolarHBondContact O-NE 2.64Å; A202-R205 VanDerWaalsContact CB-NH2 3.31Å; A202-R205 PolarHBondContact O-N 2.82Å; V203-R205 PolarHBondContact O-N 3.28Å; R205-E208 PolarHBondContact O-N 3.15Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 PolarHBondContact O-N 3.16Å
206	E	85.3	Confident	83.1	Confident	19 Å²	19	72.9 Å²	72.9	9%	0.089	37%	0.37	C	S	.	.	H	α-helix	trans	-71.2	-37.5	173.5	-173.9	59.6	-157.8	0	0	111.7	P187 F197 A202 V203 E204 E208 R209 V210 H219	P187-E206 HydrophobicContact CG-CB 4.07Å; P187-E206 HydrophobicContact CG-CG 3.76Å; F197-E206 HydrophobicContact CE1-CB 4.37Å; F197-E206 HydrophobicContact CE1-CG 3.97Å; F197-E206 HydrophobicContact CZ-CG 3.92Å; A202-E206 PolarHBondContact O-N 3.07Å; V203-E206 CarbonylContact O-C 3.57Å; V203-E206 WeakPolarHBondContact O-CA 3.29Å; V203-E206 WeakPolarHBondContact O-CB 3.19Å; V203-E206 PolarHBondContact O-N 2.87Å; V203-E206 VanDerWaalsContact O-N 3.09Å; E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 3.2Å; E206-E208 VanDerWaalsContact C-N 3.31Å; E206-E208 PolarHBondContact O-N 3.04Å; E206-R209 WeakPolarHBondContact O-CB 3.39Å; E206-R209 PolarHBondContact O-N 3.4Å; E206-R209 VanDerWaalsContact O-N 3.16Å; E206-R209 IonicContact OE1-CZ 2.74Å; E206-R209 IonicContact OE1-NE 2.67Å; E206-R209 PolarHBondContact OE1-NE 3.26Å; E206-R209 IonicContact OE1-NH2 2.8Å; E206-R209 PolarHBondContact OE1-NH2 2.78Å; E206-R209 IonicContact OE2-CZ 3.25Å; E206-R209 IonicContact OE2-NE 2.92Å; E206-R209 PolarHBondContact OE2-NE 2.83Å; E206-R209 IonicContact OE2-NH2 3.28Å; E206-R209 PolarHBondContact OE2-NH2 2.91Å; E206-V210 WeakPolarHBondContact O-CG2 3.49Å; E206-V210 PolarHBondContact O-N 3.23Å; E206-H219 IonicContact OE1-CD2 3.22Å; E206-H219 PolarHBondContact OE1-CD2 3.03Å; E206-H219 IonicContact OE1-NE2 3.47Å; E206-H219 PolarHBondContact OE1-NE2 3.47Å
207	Q	84.3	Confident	83.4	Confident	41 Å²	41	70.2 Å²	70.2	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-40.5	170.3	-62.8	175.4	3.6	0	0	111.5	Q186 P187 V203 E204 V210 K211	Q186-Q207 HydrophobicContact CB-CB 4.28Å; Q186-Q207 HydrophobicContact CB-CG 4.01Å; P187-Q207 HydrophobicContact CG-CG 4.04Å; P187-Q207 WeakPolarHBondContact O-CG 3.33Å; P187-Q207 PolarHBondContact O-NE2 3.34Å; V203-Q207 WeakPolarHBondContact O-CG 3.3Å; V203-Q207 PolarHBondContact O-N 2.9Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 2.74Å; E204-Q207 VanDerWaalsContact O-N 3.12Å; Q207-V210 PolarHBondContact O-N 2.8Å; Q207-K211 WeakPolarHBondContact O-CD 3.29Å; Q207-K211 WeakPolarHBondContact O-CE 3.49Å; Q207-K211 WeakPolarHBondContact O-CG 3.44Å; Q207-K211 PolarHBondContact O-N 2.86Å
208	E	86	Confident	83.4	Confident	117 Å²	117	68.7 Å²	68.7	55%	0.547	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-38.8	172.8	-69.2	177.7	156.1	0	0	112.4	E204 R205 E206 K211 S212	E204-E208 WeakPolarHBondContact O-CG 3.36Å; E204-E208 PolarHBondContact O-N 3.08Å; R205-E208 PolarHBondContact O-N 3.15Å; E206-E208 VanDerWaalsContact C-N 3.31Å; E206-E208 PolarHBondContact O-N 3.04Å; E208-K211 PolarHBondContact O-N 2.77Å; E208-S212 WeakPolarHBondContact O-CB 3.28Å; E208-S212 PolarHBondContact O-N 3.01Å; E208-S212 PolarHBondContact O-OG 3.23Å
209	R	86.3	Confident	83.1	Confident	91 Å²	91	65.7 Å²	65.7	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-38	174.1	-155.5	175.6	68.7	99.5	3.1	112.4	R205 E206 S212 A213 I294 L296	R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 PolarHBondContact O-N 3.16Å; E206-R209 WeakPolarHBondContact O-CB 3.39Å; E206-R209 PolarHBondContact O-N 3.4Å; E206-R209 VanDerWaalsContact O-N 3.16Å; E206-R209 IonicContact OE1-CZ 2.74Å; E206-R209 IonicContact OE1-NE 2.67Å; E206-R209 PolarHBondContact OE1-NE 3.26Å; E206-R209 IonicContact OE1-NH2 2.8Å; E206-R209 PolarHBondContact OE1-NH2 2.78Å; E206-R209 IonicContact OE2-CZ 3.25Å; E206-R209 IonicContact OE2-NE 2.92Å; E206-R209 PolarHBondContact OE2-NE 2.83Å; E206-R209 IonicContact OE2-NH2 3.28Å; E206-R209 PolarHBondContact OE2-NH2 2.91Å; R209-S212 WeakPolarHBondContact CA-OG 3.47Å; R209-S212 PolarHBondContact O-N 3.41Å; R209-S212 PolarHBondContact O-OG 2.75Å; R209-A213 WeakPolarHBondContact O-CB 3.3Å; R209-A213 PolarHBondContact O-N 2.68Å; R209-I294 VanDerWaalsContact CZ-O 3.29Å; R209-I294 PolarHBondContact NH1-O 2.83Å; R209-I294 PolarHBondContact NH2-O 3.43Å; R209-L296 HydrophobicContact CB-CD1 4.45Å; R209-L296 HydrophobicContact CG-CD1 4.29Å
210	V	82.9	Confident	82.5	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-43.5	172.6	174.8	0	0	0	0	111.4	Q186 E206 Q207 S212 A213 H219 L296	Q186-V210 HydrophobicContact CB-CG1 4.49Å; Q186-V210 HydrophobicContact CG-CB 4.3Å; Q186-V210 HydrophobicContact CG-CG1 3.86Å; E206-V210 WeakPolarHBondContact O-CG2 3.49Å; E206-V210 PolarHBondContact O-N 3.23Å; Q207-V210 PolarHBondContact O-N 2.8Å; V210-S212 PolarHBondContact O-N 2.75Å; V210-A213 PolarHBondContact O-N 3.42Å; V210-H219 HydrophobicContact CG2-CB 3.84Å; V210-L296 HydrophobicContact CB-CD1 4.4Å; V210-L296 HydrophobicContact CG2-CD1 3.62Å; V210-L296 HydrophobicContact CG2-CD2 4.45Å
211	K	81.6	Confident	81.7	Confident	116 Å²	116	60.3 Å²	60.3	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-32.3	175.5	-69.9	160.6	-153.9	160.3	0	112.7	Q207 E208	Q207-K211 WeakPolarHBondContact O-CD 3.29Å; Q207-K211 WeakPolarHBondContact O-CE 3.49Å; Q207-K211 WeakPolarHBondContact O-CG 3.44Å; Q207-K211 PolarHBondContact O-N 2.86Å; E208-K211 PolarHBondContact O-N 2.77Å
212	S	83.3	Confident	80.5	Confident	94 Å²	94	53.7 Å²	53.7	66%	0.657	26%	0.263	S	S	*	.	H	α-helix	trans	-93.6	-16.9	-178.5	49.7	0	0	0	0	114.7	E208 R209 V210 G214	E208-S212 WeakPolarHBondContact O-CB 3.28Å; E208-S212 PolarHBondContact O-N 3.01Å; E208-S212 PolarHBondContact O-OG 3.23Å; R209-S212 WeakPolarHBondContact CA-OG 3.47Å; R209-S212 PolarHBondContact O-N 3.41Å; R209-S212 PolarHBondContact O-OG 2.75Å; V210-S212 PolarHBondContact O-N 2.75Å; S212-G214 PolarHBondContact O-N 2.67Å
213	A	77.6	Confident	79	Confident	27 Å²	27	55 Å²	55	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-70.9	-24.9	-179.5	0	0	0	0	0	114.7	R209 V210 L296	R209-A213 WeakPolarHBondContact O-CB 3.3Å; R209-A213 PolarHBondContact O-N 2.68Å; V210-A213 PolarHBondContact O-N 3.42Å; A213-L296 HydrophobicContact CB-CB 3.62Å; A213-L296 HydrophobicContact CB-CD1 4.25Å
214	G	69.5	Low	77.2	Confident	37 Å²	37	62.5 Å²	62.5	38%	0.381	30%	0.301	S	S	.	.			trans	144	179.6	170.4	0	0	0	0	0	115.8	S212 W216	S212-G214 PolarHBondContact O-N 2.67Å; G214-W216 PolarHBondContact O-N 2.86Å
215	F	74.6	Confident	75.1	Confident	156 Å²	156	60.2 Å²	60.2	68%	0.684	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	111.1	-177	-172.2	-114.6	0	0	0	111.4	R283	F215-R283 PolarHBondContact O-NH1 3.09Å
216	W	75.4	Confident	72.8	Confident	93 Å²	93	55 Å²	55	35%	0.352	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	71.9	-177.7	-54	71.1	0	0	0	114	H178 L181 L185 G214 R283	H178-W216 AromaticContact CD2-CZ2 3.9Å; L181-W216 HydrophobicContact CB-CH2 3.92Å; L181-W216 HydrophobicContact CB-CZ3 4.13Å; L181-W216 HydrophobicContact CD1-CH2 3.83Å; L181-W216 HydrophobicContact CD1-CZ3 4.42Å; L181-W216 HydrophobicContact CG-CH2 4.46Å; L185-W216 HydrophobicContact CD1-CB 4.39Å; L185-W216 HydrophobicContact CD1-CD2 4.33Å; L185-W216 HydrophobicContact CD1-CE3 4.03Å; L185-W216 HydrophobicContact CD1-CG 4.5Å; G214-W216 PolarHBondContact O-N 2.86Å; W216-R283 PolarHBondContact O-NH1 3.42Å
217	I	82.6	Confident	70.9	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	28%	0.279	C	S	.	.			trans	-107.9	133.5	162.7	-67.6	-64.8	0	0	0	108.9	L296 P298 I301	I217-L296 HydrophobicContact CG2-CB 4.46Å; I217-L296 HydrophobicContact CG2-CD2 4.05Å; I217-P298 HydrophobicContact CD1-CB 4.23Å; I217-P298 HydrophobicContact CD1-CG 3.93Å; I217-P298 HydrophobicContact CG1-CG 4.22Å; I217-I301 HydrophobicContact CD1-CD1 4.29Å
218	I	82.6	Confident	69.2	Low	15 Å²	15	58.3 Å²	58.3	8%	0.077	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-94.4	115.8	-179.2	-56.8	160.5	0	0	0	107.5	L185 R230 L280 R283 G285	L185-I218 HydrophobicContact CD2-CB 4.31Å; L185-I218 HydrophobicContact CD2-CG1 3.63Å; I218-R230 HydrophobicContact CG2-CG 4.36Å; I218-L280 HydrophobicContact CD1-CB 4.32Å; I218-L280 HydrophobicContact CD1-CD2 3.86Å; I218-R283 HydrophobicContact CD1-CB 4.23Å; I218-R283 PolarHBondContact N-O 3.23Å; I218-G285 PolarHBondContact O-N 2.82Å
219	H	79.8	Confident	67.6	Low	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.			trans	-69.6	134	172.5	-177.2	-99.5	0	0	0	110.1	L185 F197 E206 V210 Y221 S222 I294	L185-H219 WeakPolarHBondContact O-CB 3.45Å; L185-H219 PolarHBondContact O-N 2.99Å; F197-H219 AromaticContact CZ-CE1 3.68Å; F197-H219 AromaticContact CZ-NE2 3.7Å; E206-H219 IonicContact OE1-CD2 3.22Å; E206-H219 PolarHBondContact OE1-CD2 3.03Å; E206-H219 IonicContact OE1-NE2 3.47Å; E206-H219 PolarHBondContact OE1-NE2 3.47Å; V210-H219 HydrophobicContact CG2-CB 3.84Å; H219-Y221 AromaticContact CE1-CD2 3.84Å; H219-Y221 PolarHBondContact ND1-N 3.15Å; H219-Y221 VanDerWaalsContact ND1-N 3.19Å; H219-Y221 PolarHBondContact ND1-O 2.86Å; H219-Y221 PolarHBondContact O-N 2.93Å; H219-Y221 VanDerWaalsContact O-N 3.09Å; H219-S222 PolarHBondContact ND1-N 3.21Å; H219-S222 WeakPolarHBondContact O-CB 3.37Å; H219-S222 PolarHBondContact O-N 3.12Å; H219-S222 PolarHBondContact O-OG 3.06Å; H219-I294 WeakPolarHBondContact NE2-CD1 3.37Å
220	P	76.4	Confident	66.6	Low	25 Å²	25	52.8 Å²	52.8	16%	0.162	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.4	-175.1	23.9	-34.3	0	0	0	114.1	G285 V287 I294	P220-G285 WeakPolarHBondContact CB-O 3.38Å; P220-G285 WeakPolarHBondContact CG-O 3.41Å; P220-V287 HydrophobicContact CB-CG2 3.91Å; P220-V287 HydrophobicContact CG-CG2 3.66Å; P220-I294 HydrophobicContact CG-CD1 4.32Å; P220-I294 HydrophobicContact CG-CG2 3.65Å
221	Y	72.1	Confident	65.8	Low	28 Å²	28	57.3 Å²	57.3	11%	0.11	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	39.7	172.7	-40.5	-58.9	0	0	0	111.3	P187 F192 M196 F197 H219 V287 I294	P187-Y221 WeakPolarHBondContact CA-O 3.32Å; F192-Y221 AromaticContact CE1-CD1 3.48Å; F192-Y221 HydrophobicContact CE1-CD1 3.48Å; F192-Y221 VanDerWaalsContact CE1-CD1 3.48Å; F192-Y221 HydrophobicContact CE1-CD2 4.27Å; F192-Y221 AromaticContact CE1-CE1 3.8Å; F192-Y221 HydrophobicContact CE1-CE1 3.8Å; F192-Y221 AromaticContact CE1-CG 3.72Å; F192-Y221 HydrophobicContact CE1-CG 3.72Å; F192-Y221 AromaticContact CZ-CD1 4Å; F192-Y221 HydrophobicContact CZ-CD1 4Å; F192-Y221 AromaticContact CZ-CE1 3.88Å; F192-Y221 HydrophobicContact CZ-CE1 3.88Å; M196-Y221 HydrophobicContact CE-CE2 3.95Å; M196-Y221 HydrophobicContact CG-CD2 4.37Å; M196-Y221 HydrophobicContact CG-CE2 4Å; M196-Y221 HydrophobicContact SD-CE2 4.43Å; F197-Y221 HydrophobicContact CE2-CD2 4.34Å; F197-Y221 HydrophobicContact CZ-CD2 4.19Å; H219-Y221 AromaticContact CE1-CD2 3.84Å; H219-Y221 PolarHBondContact ND1-N 3.15Å; H219-Y221 VanDerWaalsContact ND1-N 3.19Å; H219-Y221 PolarHBondContact ND1-O 2.86Å; H219-Y221 PolarHBondContact O-N 2.93Å; H219-Y221 VanDerWaalsContact O-N 3.09Å; Y221-V287 HydrophobicContact CE1-CG2 4.37Å; Y221-V287 HydrophobicContact CE2-CG2 4.1Å; Y221-I294 HydrophobicContact CD2-CD1 3.84Å; Y221-I294 HydrophobicContact CE2-CD1 3.72Å
222	S	63.7	Low	65.3	Low	10 Å²	10	57.6 Å²	57.6	7%	0.07	30%	0.295	C	S	.	.			trans	-62.4	142.1	176.8	61.2	0	0	0	0	111.9	L185 Q186 H219 S227	L185-S222 WeakPolarHBondContact O-CB 3.46Å; Q186-S222 CarbonylContact O-C 3.56Å; Q186-S222 VanDerWaalsContact O-CA 3.23Å; Q186-S222 WeakPolarHBondContact O-CA 3.29Å; H219-S222 PolarHBondContact ND1-N 3.21Å; H219-S222 WeakPolarHBondContact O-CB 3.37Å; H219-S222 PolarHBondContact O-N 3.12Å; H219-S222 PolarHBondContact O-OG 3.06Å; S222-S227 WeakPolarHBondContact O-CB 3.35Å; S222-S227 PolarHBondContact O-OG 3.08Å
223	D	56.3	Low	65.1	Low	37 Å²	37	54.3 Å²	54.3	20%	0.198	27%	0.268	C	S	.	.			trans	-147.4	140.2	169.7	-115.2	12.3	0	0	0	108.7	Q186 G188 N190 S227	Q186-D223 PolarHBondContact O-N 2.98Å; Q186-D223 VanDerWaalsContact O-O 3.06Å; G188-D223 WeakPolarHBondContact CA-O 3.28Å; G188-D223 PolarHBondContact N-O 3.46Å; N190-D223 PolarHBondContact ND2-OD2 2.98Å; D223-S227 WeakPolarHBondContact OD1-CB 3.42Å; D223-S227 PolarHBondContact OD1-OG 3.35Å
224	F	48.5	Very low	65.1	Low	157 Å²	157	53.6 Å²	53.6	69%	0.689	26%	0.261	S	S	*	.	S	Bend	cis	-152.2	6.7	44.8	-175.4	-115.6	0	0	0	113.7
225	S	41.6	Very low	65.7	Low	47 Å²	47	55.3 Å²	55.3	33%	0.329	26%	0.261	S	S	.	.	S	Bend	trans	-143.4	-28.2	-176.5	-156.3	0	0	0	0	117.8	M184 S227 K228	M184-S225 VanDerWaalsContact CE-OG 3.25Å; M184-S225 WeakPolarHBondContact CE-OG 3.42Å; S225-S227 VanDerWaalsContact C-N 3.28Å; S225-K228 WeakPolarHBondContact O-CB 3.26Å
226	L	39.6	Very low	66.1	Low	36 Å²	36	50.8 Å²	50.8	19%	0.188	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-20.7	149.6	-86	-56.5	0	0	0	108.6	L181 M184 L185 K228 S229 R230	L181-L226 HydrophobicContact CD2-CD1 3.63Å; L181-L226 HydrophobicContact CD2-CD2 4.4Å; L181-L226 HydrophobicContact CD2-CG 3.98Å; M184-L226 HydrophobicContact CB-CB 3.54Å; M184-L226 HydrophobicContact CB-CD2 4.32Å; M184-L226 HydrophobicContact CB-CG 3.73Å; M184-L226 HydrophobicContact CG-CB 4.3Å; M184-L226 HydrophobicContact CG-CG 4.42Å; M184-L226 HydrophobicContact SD-CB 4.22Å; M184-L226 HydrophobicContact SD-CD1 4.47Å; M184-L226 HydrophobicContact SD-CG 3.84Å; M184-L226 PolarHBondContact SD-N 2.88Å; M184-L226 VanDerWaalsContact SD-N 3.38Å; L185-L226 HydrophobicContact CD2-CD2 3.65Å; L185-L226 HydrophobicContact CG-CD2 3.86Å; L226-K228 PolarHBondContact O-N 2.77Å; L226-S229 WeakPolarHBondContact CD1-OG 3.49Å; L226-S229 CarbonylContact O-C 3.04Å; L226-S229 VanDerWaalsContact O-CA 3.23Å; L226-S229 WeakPolarHBondContact O-CA 3.16Å; L226-S229 PolarHBondContact O-N 2.79Å; L226-S229 PolarHBondContact O-OG 3.01Å; L226-R230 WeakPolarHBondContact O-CB 3.24Å; L226-R230 PolarHBondContact O-N 3.23Å
227	S	43.5	Very low	66.6	Low	12 Å²	12	46.4 Å²	46.4	8%	0.084	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.1	166.8	-179.8	0	0	0	0	111.4	S222 D223 S225 S229 R230 F231	S222-S227 WeakPolarHBondContact O-CB 3.35Å; S222-S227 PolarHBondContact O-OG 3.08Å; D223-S227 WeakPolarHBondContact OD1-CB 3.42Å; D223-S227 PolarHBondContact OD1-OG 3.35Å; S225-S227 VanDerWaalsContact C-N 3.28Å; S227-S229 VanDerWaalsContact C-N 3.33Å; S227-S229 PolarHBondContact O-N 3.05Å; S227-R230 PolarHBondContact O-N 3.26Å; S227-F231 WeakPolarHBondContact O-CA 3.29Å; S227-F231 WeakPolarHBondContact O-CB 3.07Å; S227-F231 PolarHBondContact O-N 3.17Å
228	K	49.8	Very low	66.7	Low	116 Å²	116	48.2 Å²	48.2	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-52.6	-54.1	161.9	-70.2	-176	176	180	0	109.8	S225 L226 R230 Y232	S225-K228 WeakPolarHBondContact O-CB 3.26Å; L226-K228 PolarHBondContact O-N 2.77Å; K228-R230 VanDerWaalsContact C-N 3.3Å; K228-R230 PolarHBondContact O-N 3.04Å; K228-Y232 HydrophobicContact CB-CD2 3.87Å; K228-Y232 HydrophobicContact CB-CE2 3.81Å; K228-Y232 HydrophobicContact CD-CE2 4.44Å; K228-Y232 HydrophobicContact CG-CE2 4.04Å; K228-Y232 VanDerWaalsContact O-CA 3.27Å; K228-Y232 WeakPolarHBondContact O-CA 3.34Å; K228-Y232 WeakPolarHBondContact O-CB 3.1Å; K228-Y232 WeakPolarHBondContact O-CD2 3.46Å; K228-Y232 PolarHBondContact O-N 3.37Å
229	S	53.1	Low	67	Low	63 Å²	63	53.6 Å²	53.6	44%	0.441	27%	0.268	S	S	.	.	H	α-helix	trans	-78.4	9.1	174.5	71.5	0	0	0	0	116.4	L226 S227 W233	L226-S229 WeakPolarHBondContact CD1-OG 3.49Å; L226-S229 CarbonylContact O-C 3.04Å; L226-S229 VanDerWaalsContact O-CA 3.23Å; L226-S229 WeakPolarHBondContact O-CA 3.16Å; L226-S229 PolarHBondContact O-N 2.79Å; L226-S229 PolarHBondContact O-OG 3.01Å; S227-S229 VanDerWaalsContact C-N 3.33Å; S227-S229 PolarHBondContact O-N 3.05Å; S229-W233 WeakPolarHBondContact O-CB 3.34Å
230	R	65	Low	67.4	Low	30 Å²	30	55.3 Å²	55.3	11%	0.113	28%	0.276	C	S	.	.	H	α-helix	trans	-112.6	-48.6	174.1	-177.3	64.8	-174.4	129	20.4	109.9	I218 L226 S227 K228 W233 D234	I218-R230 HydrophobicContact CG2-CG 4.36Å; L226-R230 WeakPolarHBondContact O-CB 3.24Å; L226-R230 PolarHBondContact O-N 3.23Å; S227-R230 PolarHBondContact O-N 3.26Å; K228-R230 VanDerWaalsContact C-N 3.3Å; K228-R230 PolarHBondContact O-N 3.04Å; R230-W233 CarbonylContact O-C 3.54Å; R230-W233 WeakPolarHBondContact O-CB 3.41Å; R230-W233 PolarHBondContact O-N 3.33Å; R230-W233 VanDerWaalsContact O-N 3.14Å; R230-D234 IonicContact CZ-OD1 3.91Å; R230-D234 IonicContact CZ-OD2 2.7Å; R230-D234 IonicContact NE-OD2 3.83Å; R230-D234 IonicContact NH1-OD1 3.88Å; R230-D234 PolarHBondContact NH1-OD1 2.92Å; R230-D234 IonicContact NH1-OD2 2.72Å; R230-D234 PolarHBondContact NH1-OD2 3.48Å; R230-D234 IonicContact NH2-OD1 3.37Å; R230-D234 PolarHBondContact NH2-OD1 3.5Å; R230-D234 IonicContact NH2-OD2 3.23Å; R230-D234 PolarHBondContact NH2-OD2 3Å; R230-D234 PolarHBondContact O-N 3.07Å
231	F	65.8	Low	67.9	Low	101 Å²	101	54.1 Å²	54.1	44%	0.443	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-47	163.6	178.3	-86.3	0	0	0	111.3	S227 W233 D234 L235 W369	S227-F231 WeakPolarHBondContact O-CA 3.29Å; S227-F231 WeakPolarHBondContact O-CB 3.07Å; S227-F231 PolarHBondContact O-N 3.17Å; F231-W233 VanDerWaalsContact C-N 3.3Å; F231-W233 PolarHBondContact O-N 3.27Å; F231-D234 PolarHBondContact O-N 3.44Å; F231-L235 HydrophobicContact CE1-CD2 4.47Å; F231-L235 WeakPolarHBondContact O-CB 3.34Å; F231-L235 PolarHBondContact O-N 2.81Å; F231-W369 HydrophobicContact CD1-CH2 4.42Å; F231-W369 AromaticContact CD2-CH2 3.62Å; F231-W369 HydrophobicContact CD2-CH2 3.62Å; F231-W369 HydrophobicContact CD2-CZ2 4.18Å; F231-W369 HydrophobicContact CD2-CZ3 4.19Å; F231-W369 HydrophobicContact CE1-CH2 4.08Å; F231-W369 HydrophobicContact CE2-CE3 4.49Å; F231-W369 AromaticContact CE2-CH2 3.22Å; F231-W369 HydrophobicContact CE2-CH2 3.22Å; F231-W369 HydrophobicContact CE2-CZ2 4.18Å; F231-W369 AromaticContact CE2-CZ3 3.4Å; F231-W369 HydrophobicContact CE2-CZ3 3.4Å; F231-W369 VanDerWaalsContact CE2-CZ3 3.4Å; F231-W369 HydrophobicContact CG-CH2 4.21Å; F231-W369 AromaticContact CZ-CH2 3.47Å; F231-W369 HydrophobicContact CZ-CH2 3.47Å; F231-W369 VanDerWaalsContact CZ-CH2 3.47Å; F231-W369 AromaticContact CZ-CZ3 3.69Å; F231-W369 HydrophobicContact CZ-CZ3 3.69Å
232	Y	71.6	Confident	68.8	Low	122 Å²	122	55.8 Å²	55.8	48%	0.478	28%	0.282	S	S	.	.	H	α-helix	trans	-73	-19.3	170.8	-54	-44.2	0	0	0	112.6	K228 L235 T236	K228-Y232 HydrophobicContact CB-CD2 3.87Å; K228-Y232 HydrophobicContact CB-CE2 3.81Å; K228-Y232 HydrophobicContact CD-CE2 4.44Å; K228-Y232 HydrophobicContact CG-CE2 4.04Å; K228-Y232 VanDerWaalsContact O-CA 3.27Å; K228-Y232 WeakPolarHBondContact O-CA 3.34Å; K228-Y232 WeakPolarHBondContact O-CB 3.1Å; K228-Y232 WeakPolarHBondContact O-CD2 3.46Å; K228-Y232 PolarHBondContact O-N 3.37Å; Y232-L235 HydrophobicContact CD1-CD2 4.13Å; Y232-T236 WeakPolarHBondContact O-CA 3.49Å; Y232-T236 WeakPolarHBondContact O-CB 3.29Å; Y232-T236 PolarHBondContact O-N 3.17Å; Y232-T236 PolarHBondContact O-OG1 3.11Å
233	W	78	Confident	70.1	Confident	25 Å²	25	56.4 Å²	56.4	10%	0.095	29%	0.29	C	S	.	.	H	α-helix	trans	-70.7	-50.8	168	178.1	-89.1	0	0	0	110.9	S229 R230 F231 L235 T236 M237 F273 M276 D277 L280	S229-W233 WeakPolarHBondContact O-CB 3.34Å; R230-W233 CarbonylContact O-C 3.54Å; R230-W233 WeakPolarHBondContact O-CB 3.41Å; R230-W233 PolarHBondContact O-N 3.33Å; R230-W233 VanDerWaalsContact O-N 3.14Å; F231-W233 VanDerWaalsContact C-N 3.3Å; F231-W233 PolarHBondContact O-N 3.27Å; W233-L235 VanDerWaalsContact C-N 3.27Å; W233-L235 PolarHBondContact O-N 2.89Å; W233-T236 CarbonylContact O-C 3.52Å; W233-T236 PolarHBondContact O-N 3.3Å; W233-T236 VanDerWaalsContact O-N 3.11Å; W233-M237 HydrophobicContact CD2-CE 4.14Å; W233-M237 HydrophobicContact CD2-CG 4.15Å; W233-M237 HydrophobicContact CE3-CE 4.2Å; W233-M237 HydrophobicContact CG-CG 4.17Å; W233-M237 HydrophobicContact CH2-CE 3.88Å; W233-M237 HydrophobicContact CH2-SD 4.36Å; W233-M237 HydrophobicContact CZ2-CE 3.81Å; W233-M237 HydrophobicContact CZ2-CG 4.15Å; W233-M237 HydrophobicContact CZ2-SD 3.75Å; W233-M237 HydrophobicContact CZ3-CE 4.07Å; W233-M237 VanDerWaalsContact NE1-CG 3.29Å; W233-M237 VanDerWaalsContact O-CB 3.31Å; W233-M237 WeakPolarHBondContact O-CB 3.37Å; W233-M237 VanDerWaalsContact O-CG 3.29Å; W233-M237 WeakPolarHBondContact O-CG 3.31Å; W233-M237 PolarHBondContact O-N 2.89Å; W233-F273 AromaticContact CH2-CD1 3.51Å; W233-F273 HydrophobicContact CH2-CD1 3.51Å; W233-F273 HydrophobicContact CH2-CE1 4.2Å; W233-F273 HydrophobicContact CH2-CG 4.45Å; W233-F273 WeakPolarHBondContact CZ2-O 3.41Å; W233-F273 AromaticContact CZ3-CD1 3.55Å; W233-F273 HydrophobicContact CZ3-CD1 3.55Å; W233-F273 AromaticContact CZ3-CE1 3.79Å; W233-F273 HydrophobicContact CZ3-CE1 3.79Å; W233-M276 HydrophobicContact CE3-CE 4.32Å; W233-M276 HydrophobicContact CH2-CB 3.96Å; W233-M276 HydrophobicContact CH2-CE 3.33Å; W233-M276 HydrophobicContact CH2-CG 4.04Å; W233-M276 HydrophobicContact CZ2-CB 4.26Å; W233-M276 HydrophobicContact CZ2-CE 4.4Å; W233-M276 HydrophobicContact CZ2-CG 4.39Å; W233-M276 HydrophobicContact CZ3-CE 3.28Å; W233-D277 HydrophobicContact CZ2-CB 3.81Å; W233-D277 PolarHBondContact NE1-OD1 2.83Å; W233-L280 HydrophobicContact CD2-CD1 4.1Å; W233-L280 HydrophobicContact CZ2-CD1 3.93Å
234	D	77.2	Confident	71.8	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-32.2	178.7	-66.4	-33.2	0	0	0	111.1	R230 F231 L238 W369	R230-D234 IonicContact CZ-OD1 3.91Å; R230-D234 IonicContact CZ-OD2 2.7Å; R230-D234 IonicContact NE-OD2 3.83Å; R230-D234 IonicContact NH1-OD1 3.88Å; R230-D234 PolarHBondContact NH1-OD1 2.92Å; R230-D234 IonicContact NH1-OD2 2.72Å; R230-D234 PolarHBondContact NH1-OD2 3.48Å; R230-D234 IonicContact NH2-OD1 3.37Å; R230-D234 PolarHBondContact NH2-OD1 3.5Å; R230-D234 IonicContact NH2-OD2 3.23Å; R230-D234 PolarHBondContact NH2-OD2 3Å; R230-D234 PolarHBondContact O-N 3.07Å; F231-D234 PolarHBondContact O-N 3.44Å; D234-L238 WeakPolarHBondContact O-CB 3.47Å; D234-L238 PolarHBondContact O-N 2.95Å; D234-W369 HydrophobicContact CB-CZ2 4.34Å
235	L	81.8	Confident	73.8	Confident	72 Å²	72	47.2 Å²	47.2	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-71.3	-38.7	169.7	-175.9	65	0	0	0	113	F231 Y232 W233 L238 L239 W369	F231-L235 HydrophobicContact CE1-CD2 4.47Å; F231-L235 WeakPolarHBondContact O-CB 3.34Å; F231-L235 PolarHBondContact O-N 2.81Å; Y232-L235 HydrophobicContact CD1-CD2 4.13Å; W233-L235 VanDerWaalsContact C-N 3.27Å; W233-L235 PolarHBondContact O-N 2.89Å; L235-L238 HydrophobicContact CD1-CD2 4.38Å; L235-L238 PolarHBondContact O-N 3.08Å; L235-L239 WeakPolarHBondContact O-CB 3.22Å; L235-L239 PolarHBondContact O-N 3.02Å; L235-W369 HydrophobicContact CB-CH2 4.43Å; L235-W369 HydrophobicContact CB-CZ2 4.48Å
236	T	84.3	Confident	76.2	Confident	62 Å²	62	48.5 Å²	48.5	38%	0.38	25%	0.25	S	S	.	.	H	α-helix	trans	-71.6	-36	175.6	-62.4	0	0	0	0	110.7	Y232 W233 L239 L240	Y232-T236 WeakPolarHBondContact O-CA 3.49Å; Y232-T236 WeakPolarHBondContact O-CB 3.29Å; Y232-T236 PolarHBondContact O-N 3.17Å; Y232-T236 PolarHBondContact O-OG1 3.11Å; W233-T236 CarbonylContact O-C 3.52Å; W233-T236 PolarHBondContact O-N 3.3Å; W233-T236 VanDerWaalsContact O-N 3.11Å; T236-L239 PolarHBondContact O-N 3.31Å; T236-L240 WeakPolarHBondContact O-CA 3.39Å; T236-L240 WeakPolarHBondContact O-CB 3.34Å; T236-L240 PolarHBondContact O-N 3.49Å
237	M	84.9	Confident	78.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-39.6	172.5	-71.9	-50.7	97.7	0	0	109.9	W233 L240 M241 F273 F274 D277 Y365	W233-M237 HydrophobicContact CD2-CE 4.14Å; W233-M237 HydrophobicContact CD2-CG 4.15Å; W233-M237 HydrophobicContact CE3-CE 4.2Å; W233-M237 HydrophobicContact CG-CG 4.17Å; W233-M237 HydrophobicContact CH2-CE 3.88Å; W233-M237 HydrophobicContact CH2-SD 4.36Å; W233-M237 HydrophobicContact CZ2-CE 3.81Å; W233-M237 HydrophobicContact CZ2-CG 4.15Å; W233-M237 HydrophobicContact CZ2-SD 3.75Å; W233-M237 HydrophobicContact CZ3-CE 4.07Å; W233-M237 VanDerWaalsContact NE1-CG 3.29Å; W233-M237 VanDerWaalsContact O-CB 3.31Å; W233-M237 WeakPolarHBondContact O-CB 3.37Å; W233-M237 VanDerWaalsContact O-CG 3.29Å; W233-M237 WeakPolarHBondContact O-CG 3.31Å; W233-M237 PolarHBondContact O-N 2.89Å; M237-L240 HydrophobicContact CE-CD2 3.93Å; M237-L240 HydrophobicContact SD-CD2 4.29Å; M237-M241 WeakPolarHBondContact O-CA 3.39Å; M237-M241 WeakPolarHBondContact O-CB 3.41Å; M237-M241 PolarHBondContact O-N 2.86Å; M237-F273 HydrophobicContact CE-CB 3.93Å; M237-F273 HydrophobicContact CE-CD1 3.5Å; M237-F273 HydrophobicContact CE-CE1 4.37Å; M237-F273 HydrophobicContact CE-CG 4.06Å; M237-F273 HydrophobicContact SD-CB 4.33Å; M237-F274 HydrophobicContact SD-CD1 4.34Å; M237-F274 HydrophobicContact SD-CE1 4.3Å; M237-D277 HydrophobicContact SD-CB 4.32Å; M237-Y365 HydrophobicContact CB-CE2 4.01Å
238	L	84.9	Confident	80.9	Confident	41 Å²	41	49.6 Å²	49.6	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-49.5	171.7	178.7	62.7	0	0	0	111.1	D234 L235 M241 V242 L362	D234-L238 WeakPolarHBondContact O-CB 3.47Å; D234-L238 PolarHBondContact O-N 2.95Å; L235-L238 HydrophobicContact CD1-CD2 4.38Å; L235-L238 PolarHBondContact O-N 3.08Å; L238-M241 PolarHBondContact O-N 3.25Å; L238-V242 HydrophobicContact CD1-CG2 4.24Å; L238-V242 WeakPolarHBondContact O-CB 3.39Å; L238-V242 VanDerWaalsContact O-CG2 3.29Å; L238-V242 WeakPolarHBondContact O-CG2 3.49Å; L238-V242 PolarHBondContact O-N 3.03Å; L238-L362 HydrophobicContact CD1-CD1 3.41Å; L238-L362 VanDerWaalsContact CD1-CD1 3.41Å
239	L	88.4	Confident	82.9	Confident	128 Å²	128	44.3 Å²	44.3	67%	0.67	23%	0.232	S	C	*	.	H	α-helix	trans	-64.5	-47.1	178.6	-180	62	0	0	0	112.2	L235 T236 M241 G243	L235-L239 WeakPolarHBondContact O-CB 3.22Å; L235-L239 PolarHBondContact O-N 3.02Å; T236-L239 PolarHBondContact O-N 3.31Å; L239-M241 VanDerWaalsContact C-N 3.33Å; L239-M241 PolarHBondContact O-N 3.43Å; L239-G243 PolarHBondContact O-N 3.22Å
240	L	89.1	Confident	84.8	Confident	35 Å²	35	42.1 Å²	42.1	18%	0.183	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-40.8	176.8	-178.9	65.9	0	0	0	110.7	T236 M237 G243 N244 F273 F274	T236-L240 WeakPolarHBondContact O-CA 3.39Å; T236-L240 WeakPolarHBondContact O-CB 3.34Å; T236-L240 PolarHBondContact O-N 3.49Å; M237-L240 HydrophobicContact CE-CD2 3.93Å; M237-L240 HydrophobicContact SD-CD2 4.29Å; L240-G243 PolarHBondContact O-N 2.95Å; L240-N244 WeakPolarHBondContact CD1-ND2 3.21Å; L240-N244 VanDerWaalsContact O-CB 3.28Å; L240-N244 WeakPolarHBondContact O-CB 3.35Å; L240-N244 PolarHBondContact O-N 2.8Å; L240-N244 PolarHBondContact O-ND2 2.88Å; L240-F273 HydrophobicContact CD2-CB 3.52Å; L240-F273 HydrophobicContact CD2-CD2 4.35Å; L240-F273 HydrophobicContact CD2-CG 3.97Å; L240-F274 HydrophobicContact CD2-CE2 4.07Å; L240-F274 HydrophobicContact CD2-CZ 4.18Å; L240-F274 HydrophobicContact CG-CE2 4.11Å; L240-F274 HydrophobicContact CG-CZ 4.12Å
241	M	87.8	Confident	86	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-45.5	179.3	-176.7	157.4	46	0	0	112.1	M237 L238 L239 G243 N244 L245 F274 R358 R361 L362 Y365	M237-M241 WeakPolarHBondContact O-CA 3.39Å; M237-M241 WeakPolarHBondContact O-CB 3.41Å; M237-M241 PolarHBondContact O-N 2.86Å; L238-M241 PolarHBondContact O-N 3.25Å; L239-M241 VanDerWaalsContact C-N 3.33Å; L239-M241 PolarHBondContact O-N 3.43Å; M241-G243 VanDerWaalsContact C-N 3.3Å; M241-G243 PolarHBondContact O-N 2.96Å; M241-N244 PolarHBondContact O-N 2.9Å; M241-L245 HydrophobicContact CG-CD1 3.59Å; M241-L245 HydrophobicContact CG-CG 4.19Å; M241-L245 WeakPolarHBondContact O-CB 3.36Å; M241-L245 WeakPolarHBondContact O-CD1 3.47Å; M241-L245 WeakPolarHBondContact O-CG 3.47Å; M241-L245 PolarHBondContact O-N 2.95Å; M241-F274 HydrophobicContact CB-CE1 4.17Å; M241-F274 HydrophobicContact CB-CZ 3.89Å; M241-F274 HydrophobicContact CG-CZ 4.43Å; M241-F274 HydrophobicContact SD-CE1 4.4Å; M241-R358 HydrophobicContact CG-CB 4.24Å; M241-R358 HydrophobicContact SD-CB 3.99Å; M241-R361 HydrophobicContact CE-CB 4.4Å; M241-R361 HydrophobicContact SD-CB 4.05Å; M241-L362 VanDerWaalsContact CE-CA 3.48Å; M241-L362 HydrophobicContact CE-CB 3.86Å; M241-L362 HydrophobicContact CE-CD1 4.47Å; M241-L362 HydrophobicContact CE-CG 4.08Å; M241-L362 HydrophobicContact CG-CB 4.23Å; M241-L362 HydrophobicContact CG-CG 4.15Å; M241-L362 HydrophobicContact SD-CB 3.81Å; M241-L362 HydrophobicContact SD-CG 4.29Å; M241-L362 PolarHBondContact SD-N 2.98Å; M241-Y365 HydrophobicContact CE-CD2 3.54Å; M241-Y365 HydrophobicContact CE-CE2 3.75Å
242	V	89.9	Confident	87.1	Confident	63 Å²	63	35.9 Å²	35.9	38%	0.382	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-44.1	171.7	170.1	0	0	0	0	110.3	L238 L245 I246	L238-V242 HydrophobicContact CD1-CG2 4.24Å; L238-V242 WeakPolarHBondContact O-CB 3.39Å; L238-V242 VanDerWaalsContact O-CG2 3.29Å; L238-V242 WeakPolarHBondContact O-CG2 3.49Å; L238-V242 PolarHBondContact O-N 3.03Å; V242-L245 PolarHBondContact O-N 3.02Å; V242-I246 HydrophobicContact CG1-CD1 3.96Å; V242-I246 WeakPolarHBondContact O-CD1 3.49Å; V242-I246 VanDerWaalsContact O-CG1 3.32Å; V242-I246 WeakPolarHBondContact O-CG1 3.26Å; V242-I246 PolarHBondContact O-N 3.3Å
243	G	91.7	Very high	87.9	Confident	23 Å²	23	30.5 Å²	30.5	24%	0.237	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-48.2	173.4	0	0	0	0	0	112.8	L239 L240 M241 I246 I247	L239-G243 PolarHBondContact O-N 3.22Å; L240-G243 PolarHBondContact O-N 2.95Å; M241-G243 VanDerWaalsContact C-N 3.3Å; M241-G243 PolarHBondContact O-N 2.96Å; G243-I246 PolarHBondContact O-N 3.44Å; G243-I247 VanDerWaalsContact O-CB 3.26Å; G243-I247 WeakPolarHBondContact O-CB 3.47Å; G243-I247 WeakPolarHBondContact O-CD1 3.49Å; G243-I247 WeakPolarHBondContact O-CG1 3.44Å; G243-I247 PolarHBondContact O-N 3.33Å
244	N	90.9	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-46	177.8	-92.4	-109.6	0	0	0	112.6	L240 M241 I246 I247 I248 S270 R358	L240-N244 WeakPolarHBondContact CD1-ND2 3.21Å; L240-N244 VanDerWaalsContact O-CB 3.28Å; L240-N244 WeakPolarHBondContact O-CB 3.35Å; L240-N244 PolarHBondContact O-N 2.8Å; L240-N244 PolarHBondContact O-ND2 2.88Å; M241-N244 PolarHBondContact O-N 2.9Å; N244-I246 PolarHBondContact O-N 3.42Å; N244-I247 PolarHBondContact O-N 2.92Å; N244-I248 HydrophobicContact CB-CD1 3.92Å; N244-I248 HydrophobicContact CB-CG1 4.5Å; N244-I248 VanDerWaalsContact O-CB 3.22Å; N244-I248 WeakPolarHBondContact O-CB 3.35Å; N244-I248 VanDerWaalsContact O-CG1 3.31Å; N244-I248 WeakPolarHBondContact O-CG1 3.43Å; N244-I248 PolarHBondContact O-N 3.42Å; N244-I248 VanDerWaalsContact OD1-CD1 3.28Å; N244-I248 WeakPolarHBondContact OD1-CD1 3.47Å; N244-S270 VanDerWaalsContact CG-OG 3.32Å; N244-S270 PolarHBondContact ND2-OG 2.94Å; N244-S270 PolarHBondContact OD1-OG 3.08Å; N244-S270 VanDerWaalsContact OD1-OG 3.07Å; N244-R358 PolarHBondContact OD1-NH1 2.81Å
245	L	90.8	Very high	89	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-13.6	-178.3	-63	166.9	0	0	0	111.9	M241 V242 P249 L356 R358 L362 L395 W399	M241-L245 HydrophobicContact CG-CD1 3.59Å; M241-L245 HydrophobicContact CG-CG 4.19Å; M241-L245 WeakPolarHBondContact O-CB 3.36Å; M241-L245 WeakPolarHBondContact O-CD1 3.47Å; M241-L245 WeakPolarHBondContact O-CG 3.47Å; M241-L245 PolarHBondContact O-N 2.95Å; V242-L245 PolarHBondContact O-N 3.02Å; L245-P249 WeakPolarHBondContact O-CD 3.5Å; L245-P249 WeakPolarHBondContact O-CG 3.43Å; L245-L356 HydrophobicContact CD2-CD2 4.09Å; L245-R358 HydrophobicContact CD2-CB 4.25Å; L245-L362 HydrophobicContact CD1-CB 4.35Å; L245-L362 HydrophobicContact CD1-CD2 3.73Å; L245-L362 HydrophobicContact CD1-CG 4.14Å; L245-L395 HydrophobicContact CB-CD1 4.08Å; L245-L395 HydrophobicContact CB-CD2 4.47Å; L245-L395 HydrophobicContact CD1-CD2 4.46Å; L245-W399 HydrophobicContact CB-CZ2 4.1Å; L245-W399 HydrophobicContact CD2-CH2 4.19Å; L245-W399 HydrophobicContact CD2-CZ2 3.63Å; L245-W399 HydrophobicContact CG-CZ2 4.33Å; L245-W399 PolarHBondContact O-NE1 3.33Å
246	I	92.8	Very high	88.6	Confident	75 Å²	75	36.4 Å²	36.4	39%	0.385	19%	0.192	S	C	.	.	H	α-helix	trans	-96.7	-43.6	169.7	-63.9	166.2	0	0	0	111.8	V242 G243 N244 V250 L395 H398	V242-I246 HydrophobicContact CG1-CD1 3.96Å; V242-I246 WeakPolarHBondContact O-CD1 3.49Å; V242-I246 VanDerWaalsContact O-CG1 3.32Å; V242-I246 WeakPolarHBondContact O-CG1 3.26Å; V242-I246 PolarHBondContact O-N 3.3Å; G243-I246 PolarHBondContact O-N 3.44Å; N244-I246 PolarHBondContact O-N 3.42Å; I246-V250 WeakPolarHBondContact O-CG2 3.41Å; I246-L395 HydrophobicContact CG1-CD1 4.3Å; I246-H398 PolarHBondContact O-NE2 3.17Å; I246-H398 VanDerWaalsContact O-NE2 3.07Å
247	I	91.9	Very high	87.8	Confident	69 Å²	69	39.2 Å²	39.2	35%	0.354	21%	0.205	S	C	.	.	H	α-helix	trans	-77.3	-39.7	-172.7	-69.2	166.6	0	0	0	112.1	G243 N244 V250 G251 W263 F266	G243-I247 VanDerWaalsContact O-CB 3.26Å; G243-I247 WeakPolarHBondContact O-CB 3.47Å; G243-I247 WeakPolarHBondContact O-CD1 3.49Å; G243-I247 WeakPolarHBondContact O-CG1 3.44Å; G243-I247 PolarHBondContact O-N 3.33Å; N244-I247 PolarHBondContact O-N 2.92Å; I247-V250 PolarHBondContact O-N 3.45Å; I247-G251 PolarHBondContact O-N 3.05Å; I247-W263 HydrophobicContact CG2-CH2 4.1Å; I247-W263 HydrophobicContact CG2-CZ3 3.61Å; I247-F266 HydrophobicContact CB-CE1 4.28Å; I247-F266 HydrophobicContact CB-CZ 4.26Å; I247-F266 HydrophobicContact CD1-CE2 4.12Å; I247-F266 HydrophobicContact CD1-CZ 3.78Å; I247-F266 HydrophobicContact CG2-CD1 4.32Å; I247-F266 HydrophobicContact CG2-CE1 3.69Å; I247-F266 HydrophobicContact CG2-CZ 4.01Å
248	I	90.2	Very high	86.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-50.6	-177.1	-69.4	171.2	0	0	0	111.9	N244 V250 G251 I252 R355 L356	N244-I248 HydrophobicContact CB-CD1 3.92Å; N244-I248 HydrophobicContact CB-CG1 4.5Å; N244-I248 VanDerWaalsContact O-CB 3.22Å; N244-I248 WeakPolarHBondContact O-CB 3.35Å; N244-I248 VanDerWaalsContact O-CG1 3.31Å; N244-I248 WeakPolarHBondContact O-CG1 3.43Å; N244-I248 PolarHBondContact O-N 3.42Å; N244-I248 VanDerWaalsContact OD1-CD1 3.28Å; N244-I248 WeakPolarHBondContact OD1-CD1 3.47Å; I248-V250 VanDerWaalsContact C-N 3.32Å; I248-V250 PolarHBondContact O-N 3.48Å; I248-G251 PolarHBondContact O-N 3.41Å; I248-I252 HydrophobicContact CG2-CD1 3.48Å; I248-I252 VanDerWaalsContact CG2-CD1 3.48Å; I248-I252 HydrophobicContact CG2-CG1 4.37Å; I248-I252 WeakPolarHBondContact O-CG1 3.35Å; I248-I252 PolarHBondContact O-N 3.41Å; I248-I252 VanDerWaalsContact O-N 3.12Å; I248-R355 HydrophobicContact CD1-CB 3.73Å; I248-R355 HydrophobicContact CD1-CG 4.31Å; I248-L356 HydrophobicContact CG2-CD2 4.29Å
249	P	91.8	Very high	86.2	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.032	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-43.6	176.4	-25.4	34.9	0	0	0	112.8	L245 T253 L356 C402	L245-P249 WeakPolarHBondContact O-CD 3.5Å; L245-P249 WeakPolarHBondContact O-CG 3.43Å; P249-T253 WeakPolarHBondContact O-CB 3.26Å; P249-T253 VanDerWaalsContact O-CG2 3.28Å; P249-T253 WeakPolarHBondContact O-CG2 3.4Å; P249-T253 PolarHBondContact O-N 3.36Å; P249-T253 PolarHBondContact O-OG1 3.29Å; P249-L356 HydrophobicContact CG-CD2 3.99Å; P249-C402 HydrophobicContact CB-CB 3.75Å
250	V	92.9	Very high	85.9	Confident	17 Å²	17	41.4 Å²	41.4	10%	0.103	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-46.4	-178.6	177	0	0	0	0	111.7	I246 I247 I248 T253 F254 F255 W429 Y433	I246-V250 WeakPolarHBondContact O-CG2 3.41Å; I247-V250 PolarHBondContact O-N 3.45Å; I248-V250 VanDerWaalsContact C-N 3.32Å; I248-V250 PolarHBondContact O-N 3.48Å; V250-T253 PolarHBondContact O-N 3.06Å; V250-T253 PolarHBondContact O-OG1 2.88Å; V250-F254 HydrophobicContact CG1-CD2 4.14Å; V250-F254 PolarHBondContact O-N 3.41Å; V250-F255 HydrophobicContact CG1-CZ 4.44Å; V250-W429 HydrophobicContact CG1-CZ3 4.27Å; V250-Y433 HydrophobicContact CG2-CD2 4.46Å; V250-Y433 HydrophobicContact CG2-CE2 4.25Å
251	G	90.1	Very high	85.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-45.3	-179.4	0	0	0	0	0	112.7	I247 I248 T253 F255	I247-G251 PolarHBondContact O-N 3.05Å; I248-G251 PolarHBondContact O-N 3.41Å; G251-T253 PolarHBondContact O-N 2.91Å; G251-F255 WeakPolarHBondContact O-CB 3.28Å; G251-F255 PolarHBondContact O-N 3.45Å
252	I	87.8	Confident	85.7	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-30.4	177.6	-67.8	169.6	0	0	0	112	I248 E258 K349 L353 L406 M409	I248-I252 HydrophobicContact CG2-CD1 3.48Å; I248-I252 VanDerWaalsContact CG2-CD1 3.48Å; I248-I252 HydrophobicContact CG2-CG1 4.37Å; I248-I252 WeakPolarHBondContact O-CG1 3.35Å; I248-I252 PolarHBondContact O-N 3.41Å; I248-I252 VanDerWaalsContact O-N 3.12Å; I252-E258 WeakPolarHBondContact CA-OE1 3.19Å; I252-K349 HydrophobicContact CG2-CB 3.93Å; I252-K349 HydrophobicContact CG2-CG 4.13Å; I252-K349 PolarHBondContact O-NZ 3.43Å; I252-L353 HydrophobicContact CD1-CD2 3.7Å; I252-L353 HydrophobicContact CD1-CG 4.08Å; I252-L353 HydrophobicContact CG2-CD2 4.46Å; I252-L406 HydrophobicContact CG2-CD1 4.27Å; I252-M409 WeakPolarHBondContact O-CE 3.42Å
253	T	89.9	Confident	85.6	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-97.4	-45.9	-172	50.1	0	0	0	0	114.5	P249 V250 G251 C402 F405 L406	P249-T253 WeakPolarHBondContact O-CB 3.26Å; P249-T253 VanDerWaalsContact O-CG2 3.28Å; P249-T253 WeakPolarHBondContact O-CG2 3.4Å; P249-T253 PolarHBondContact O-N 3.36Å; P249-T253 PolarHBondContact O-OG1 3.29Å; V250-T253 PolarHBondContact O-N 3.06Å; V250-T253 PolarHBondContact O-OG1 2.88Å; G251-T253 PolarHBondContact O-N 2.91Å; T253-C402 HydrophobicContact CG2-CB 4.24Å; T253-C402 WeakPolarHBondContact CG2-O 3.25Å; T253-F405 WeakPolarHBondContact O-CE1 3.44Å; T253-L406 HydrophobicContact CG2-CB 3.63Å; T253-L406 HydrophobicContact CG2-CD1 3.9Å; T253-L406 HydrophobicContact CG2-CG 4.21Å
254	F	90.1	Very high	85.3	Confident	10 Å²	10	48.8 Å²	48.8	4%	0.044	26%	0.255	C	S	.	.	H	α-helix	trans	-108.6	-18.2	-170.7	-56.7	-81.6	0	0	0	114.4	V250 F405 W429 Q432 Y433 A436	V250-F254 HydrophobicContact CG1-CD2 4.14Å; V250-F254 PolarHBondContact O-N 3.41Å; F254-F405 AromaticContact CD1-CD1 3.6Å; F254-F405 HydrophobicContact CD1-CD1 3.6Å; F254-F405 AromaticContact CD1-CE1 3.49Å; F254-F405 HydrophobicContact CD1-CE1 3.49Å; F254-F405 VanDerWaalsContact CD1-CE1 3.49Å; F254-F405 HydrophobicContact CD1-CE2 4.44Å; F254-F405 HydrophobicContact CD1-CG 4.13Å; F254-F405 AromaticContact CD1-CZ 3.94Å; F254-F405 HydrophobicContact CD1-CZ 3.94Å; F254-F405 HydrophobicContact CE1-CB 3.89Å; F254-F405 AromaticContact CE1-CD1 3.27Å; F254-F405 HydrophobicContact CE1-CD1 3.27Å; F254-F405 AromaticContact CE1-CD2 3.75Å; F254-F405 HydrophobicContact CE1-CD2 3.75Å; F254-F405 AromaticContact CE1-CE1 3.6Å; F254-F405 HydrophobicContact CE1-CE1 3.6Å; F254-F405 HydrophobicContact CE1-CE2 4.04Å; F254-F405 AromaticContact CE1-CG 3.34Å; F254-F405 HydrophobicContact CE1-CG 3.34Å; F254-F405 AromaticContact CE1-CZ 3.96Å; F254-F405 HydrophobicContact CE1-CZ 3.96Å; F254-F405 HydrophobicContact CG-CD1 4.38Å; F254-F405 HydrophobicContact CG-CE1 4.37Å; F254-F405 HydrophobicContact CZ-CB 3.75Å; F254-F405 AromaticContact CZ-CD1 3.82Å; F254-F405 HydrophobicContact CZ-CD1 3.82Å; F254-F405 HydrophobicContact CZ-CD2 4.45Å; F254-F405 AromaticContact CZ-CG 3.76Å; F254-F405 HydrophobicContact CZ-CG 3.76Å; F254-W429 HydrophobicContact CB-CB 4Å; F254-Q432 HydrophobicContact CD1-CB 3.84Å; F254-Q432 HydrophobicContact CE1-CB 3.75Å; F254-Y433 HydrophobicContact CD2-CD2 4.38Å; F254-Y433 AromaticContact CE2-CD2 3.65Å; F254-Y433 HydrophobicContact CE2-CD2 3.65Å; F254-Y433 HydrophobicContact CE2-CG 4.22Å; F254-Y433 HydrophobicContact CZ-CD2 4.04Å; F254-Y433 HydrophobicContact CZ-CG 4.46Å; F254-A436 HydrophobicContact CZ-CB 4.27Å
255	F	87.6	Confident	85.3	Confident	74 Å²	74	53.1 Å²	53.1	33%	0.325	28%	0.281	S	S	.	.			trans	-88.2	122.9	174.4	-58.5	-20.7	0	0	0	110.1	V250 G251 W263 W429	V250-F255 HydrophobicContact CG1-CZ 4.44Å; G251-F255 WeakPolarHBondContact O-CB 3.28Å; G251-F255 PolarHBondContact O-N 3.45Å; F255-W263 HydrophobicContact CD2-CE3 4.34Å; F255-W263 HydrophobicContact CD2-CZ3 4.39Å; F255-W263 HydrophobicContact CE2-CE3 4.44Å; F255-W263 HydrophobicContact CE2-CZ3 4.35Å; F255-W429 HydrophobicContact CE1-CD2 4.05Å; F255-W429 HydrophobicContact CE1-CE3 4.28Å; F255-W429 HydrophobicContact CE1-CG 4.39Å
256	K	72.6	Confident	85.3	Confident	150 Å²	150	56.1 Å²	56.1	65%	0.652	29%	0.294	S	S	*	.	S	Bend	trans	-81.4	-34.8	179.7	-64.3	179.4	-178.9	176.3	0	111.3
257	D	68	Low	85.1	Confident	121 Å²	121	52.5 Å²	52.5	65%	0.647	28%	0.276	S	S	*	.			trans	-103	70.1	-178.5	-56.9	-61.7	0	0	0	112.2	H259 T260	D257-H259 PolarHBondContact O-N 2.93Å; D257-H259 VanDerWaalsContact O-N 3.12Å; D257-T260 HydrophobicContact CB-CG2 4.22Å; D257-T260 WeakPolarHBondContact O-CG2 3.23Å; D257-T260 PolarHBondContact O-N 3.33Å; D257-T260 PolarHBondContact O-OG1 3.03Å
258	E	65.1	Low	85	Confident	27 Å²	27	52.6 Å²	52.6	13%	0.126	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15	176.4	-67.6	-179.7	-176.8	0	0	113.5	I252 T260 K349	I252-E258 WeakPolarHBondContact CA-OE1 3.19Å; E258-T260 PolarHBondContact O-N 2.76Å; E258-K349 IonicContact OE1-NZ 2.73Å; E258-K349 PolarHBondContact OE1-NZ 2.89Å
259	H	70.7	Confident	85	Confident	124 Å²	124	56 Å²	56	57%	0.574	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	11.5	179.4	-58.4	-55.5	0	0	0	114.1	D257	D257-H259 PolarHBondContact O-N 2.93Å; D257-H259 VanDerWaalsContact O-N 3.12Å
260	T	82.8	Confident	85	Confident	65 Å²	65	55.8 Å²	55.8	40%	0.399	30%	0.299	S	S	.	.			trans	-65.2	133.3	174.9	45.7	0	0	0	0	111.5	D257 E258 P262 W263 I264	D257-T260 HydrophobicContact CB-CG2 4.22Å; D257-T260 WeakPolarHBondContact O-CG2 3.23Å; D257-T260 PolarHBondContact O-N 3.33Å; D257-T260 PolarHBondContact O-OG1 3.03Å; E258-T260 PolarHBondContact O-N 2.76Å; T260-P262 VanDerWaalsContact C-CD 3.46Å; T260-W263 WeakPolarHBondContact O-CB 3.18Å; T260-W263 PolarHBondContact O-N 3.28Å; T260-I264 PolarHBondContact O-N 3.45Å
261	P	84.6	Confident	84.8	Confident	96 Å²	96	55.3 Å²	55.3	62%	0.623	30%	0.296	S	S	*	.	H	α-helix	trans	-53.7	-39.1	-175.5	-27.3	33.8	0	0	0	115.7	W263 I264 V265	P261-W263 VanDerWaalsContact C-N 3.34Å; P261-W263 PolarHBondContact O-N 2.67Å; P261-I264 PolarHBondContact O-N 3.45Å; P261-V265 WeakPolarHBondContact O-CB 3.21Å; P261-V265 WeakPolarHBondContact O-CG2 3.39Å; P261-V265 PolarHBondContact O-N 3.17Å
262	P	88.3	Confident	84.9	Confident	98 Å²	98	59.4 Å²	59.4	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-35.4	176.6	-24.5	36.1	0	0	0	114	T260 F266	T260-P262 VanDerWaalsContact C-CD 3.46Å; P262-F266 WeakPolarHBondContact O-CB 3.42Å; P262-F266 PolarHBondContact O-N 2.78Å
263	W	87.6	Confident	85	Confident	24 Å²	24	63 Å²	63	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-69.1	-43.2	177	-179.7	-100.2	0	0	0	111.4	I247 F255 T260 P261 F266 N267	I247-W263 HydrophobicContact CG2-CH2 4.1Å; I247-W263 HydrophobicContact CG2-CZ3 3.61Å; F255-W263 HydrophobicContact CD2-CE3 4.34Å; F255-W263 HydrophobicContact CD2-CZ3 4.39Å; F255-W263 HydrophobicContact CE2-CE3 4.44Å; F255-W263 HydrophobicContact CE2-CZ3 4.35Å; T260-W263 WeakPolarHBondContact O-CB 3.18Å; T260-W263 PolarHBondContact O-N 3.28Å; P261-W263 VanDerWaalsContact C-N 3.34Å; P261-W263 PolarHBondContact O-N 2.67Å; W263-F266 PolarHBondContact O-N 3.05Å; W263-N267 VanDerWaalsContact CE2-ND2 3.27Å; W263-N267 PolarHBondContact NE1-ND2 2.85Å; W263-N267 PolarHBondContact O-N 2.96Å; W263-N267 PolarHBondContact O-ND2 3.37Å
264	I	85.9	Confident	85	Confident	59 Å²	59	62.6 Å²	62.6	30%	0.303	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.9	-60.1	173.3	0	0	0	110.3	T260 P261 F266 N267 V268	T260-I264 PolarHBondContact O-N 3.45Å; P261-I264 PolarHBondContact O-N 3.45Å; I264-F266 PolarHBondContact O-N 3.23Å; I264-N267 PolarHBondContact O-N 2.62Å; I264-V268 HydrophobicContact CG2-CG2 4.18Å; I264-V268 WeakPolarHBondContact O-CB 3.36Å; I264-V268 VanDerWaalsContact O-CG2 3.29Å; I264-V268 WeakPolarHBondContact O-CG2 3.26Å; I264-V268 PolarHBondContact O-N 3.46Å
265	V	90.3	Very high	85	Confident	91 Å²	91	66.2 Å²	66.2	55%	0.552	35%	0.354	S	S	*	.	H	α-helix	trans	-60.6	-45.6	176.9	170.3	0	0	0	0	111.4	P261 N267 V268 V269	P261-V265 WeakPolarHBondContact O-CB 3.21Å; P261-V265 WeakPolarHBondContact O-CG2 3.39Å; P261-V265 PolarHBondContact O-N 3.17Å; V265-N267 PolarHBondContact O-N 2.9Å; V265-V268 PolarHBondContact O-N 3.2Å; V265-V269 HydrophobicContact CG1-CG2 4.22Å; V265-V269 VanDerWaalsContact O-CB 3.32Å; V265-V269 WeakPolarHBondContact O-CB 3.26Å; V265-V269 VanDerWaalsContact O-CG2 3.24Å; V265-V269 WeakPolarHBondContact O-CG2 3.43Å; V265-V269 PolarHBondContact O-N 2.98Å
266	F	89.8	Confident	85.1	Confident	63 Å²	63	67.5 Å²	67.5	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-57.1	-50.1	176.8	174.1	-97.7	0	0	0	112.1	I247 P262 W263 I264 S270	I247-F266 HydrophobicContact CB-CE1 4.28Å; I247-F266 HydrophobicContact CB-CZ 4.26Å; I247-F266 HydrophobicContact CD1-CE2 4.12Å; I247-F266 HydrophobicContact CD1-CZ 3.78Å; I247-F266 HydrophobicContact CG2-CD1 4.32Å; I247-F266 HydrophobicContact CG2-CE1 3.69Å; I247-F266 HydrophobicContact CG2-CZ 4.01Å; P262-F266 WeakPolarHBondContact O-CB 3.42Å; P262-F266 PolarHBondContact O-N 2.78Å; W263-F266 PolarHBondContact O-N 3.05Å; I264-F266 PolarHBondContact O-N 3.23Å; F266-S270 VanDerWaalsContact O-CB 3.29Å; F266-S270 WeakPolarHBondContact O-CB 3.26Å; F266-S270 PolarHBondContact O-N 2.83Å
267	N	88.6	Confident	85.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-44.5	-179.9	-72.4	-25.6	0	0	0	112.3	W263 I264 V265 S270 D271 Y322	W263-N267 VanDerWaalsContact CE2-ND2 3.27Å; W263-N267 PolarHBondContact NE1-ND2 2.85Å; W263-N267 PolarHBondContact O-N 2.96Å; W263-N267 PolarHBondContact O-ND2 3.37Å; I264-N267 PolarHBondContact O-N 2.62Å; V265-N267 PolarHBondContact O-N 2.9Å; N267-S270 PolarHBondContact O-N 2.9Å; N267-D271 VanDerWaalsContact O-CB 3.3Å; N267-D271 WeakPolarHBondContact O-CB 3.42Å; N267-D271 PolarHBondContact O-N 2.97Å; N267-Y322 HydrophobicContact CB-CE2 3.83Å; N267-Y322 PolarHBondContact ND2-OH 3.41Å; N267-Y322 VanDerWaalsContact ND2-OH 3.13Å
268	V	89.8	Confident	86.9	Confident	71 Å²	71	55 Å²	55	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-42.7	-180	170.4	0	0	0	0	111.5	I264 V265 T272 Y322	I264-V268 HydrophobicContact CG2-CG2 4.18Å; I264-V268 WeakPolarHBondContact O-CB 3.36Å; I264-V268 VanDerWaalsContact O-CG2 3.29Å; I264-V268 WeakPolarHBondContact O-CG2 3.26Å; I264-V268 PolarHBondContact O-N 3.46Å; V265-V268 PolarHBondContact O-N 3.2Å; V268-T272 WeakPolarHBondContact O-CB 3.37Å; V268-T272 PolarHBondContact O-N 3.49Å; V268-T272 PolarHBondContact O-OG1 2.79Å; V268-Y322 HydrophobicContact CG2-CE2 4.29Å
269	V	91.2	Very high	88	Confident	72 Å²	72	57.9 Å²	57.9	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-50.2	173.3	169.8	0	0	0	0	109.8	V265 D271 T272 F273	V265-V269 HydrophobicContact CG1-CG2 4.22Å; V265-V269 VanDerWaalsContact O-CB 3.32Å; V265-V269 WeakPolarHBondContact O-CB 3.26Å; V265-V269 VanDerWaalsContact O-CG2 3.24Å; V265-V269 WeakPolarHBondContact O-CG2 3.43Å; V265-V269 PolarHBondContact O-N 2.98Å; V269-D271 PolarHBondContact O-N 2.91Å; V269-T272 WeakPolarHBondContact O-CB 3.34Å; V269-T272 PolarHBondContact O-N 3.45Å; V269-F273 HydrophobicContact CG1-CD2 3.9Å; V269-F273 HydrophobicContact CG1-CE2 3.81Å; V269-F273 WeakPolarHBondContact O-CD2 3.3Å; V269-F273 PolarHBondContact O-N 3.13Å; V269-F273 VanDerWaalsContact O-N 3.07Å
270	S	90.4	Very high	88.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-43.1	-178.2	-170	0	0	0	0	113.2	N244 F266 N267 T272 F273 F274	N244-S270 VanDerWaalsContact CG-OG 3.32Å; N244-S270 PolarHBondContact ND2-OG 2.94Å; N244-S270 PolarHBondContact OD1-OG 3.08Å; N244-S270 VanDerWaalsContact OD1-OG 3.07Å; F266-S270 VanDerWaalsContact O-CB 3.29Å; F266-S270 WeakPolarHBondContact O-CB 3.26Å; F266-S270 PolarHBondContact O-N 2.83Å; N267-S270 PolarHBondContact O-N 2.9Å; S270-T272 VanDerWaalsContact C-N 3.3Å; S270-F273 WeakPolarHBondContact O-CB 3.34Å; S270-F273 PolarHBondContact O-N 2.85Å; S270-F274 WeakPolarHBondContact O-CD2 3.35Å; S270-F274 PolarHBondContact O-N 3.06Å; S270-F274 VanDerWaalsContact OG-CE2 3.29Å; S270-F274 WeakPolarHBondContact OG-CE2 3.45Å
271	D	90.7	Very high	88.9	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-33.3	-179.8	-69.7	-0.4	0	0	0	110.6	N267 V269 F274 L275 P319 R355 R358	N267-D271 VanDerWaalsContact O-CB 3.3Å; N267-D271 WeakPolarHBondContact O-CB 3.42Å; N267-D271 PolarHBondContact O-N 2.97Å; V269-D271 PolarHBondContact O-N 2.91Å; D271-F274 PolarHBondContact O-N 3.24Å; D271-L275 VanDerWaalsContact O-CB 3.3Å; D271-L275 WeakPolarHBondContact O-CB 3.22Å; D271-L275 PolarHBondContact O-N 3.04Å; D271-P319 WeakPolarHBondContact OD2-CB 3.48Å; D271-R355 IonicContact OD1-NE 2.79Å; D271-R355 PolarHBondContact OD1-NE 3.47Å; D271-R355 IonicContact OD2-CZ 3.54Å; D271-R355 VanDerWaalsContact OD2-CZ 3.22Å; D271-R355 IonicContact OD2-NE 3.76Å; D271-R355 PolarHBondContact OD2-NE 3.4Å; D271-R355 IonicContact OD2-NH2 3.97Å; D271-R355 PolarHBondContact OD2-NH2 3.48Å; D271-R358 IonicContact OD1-CZ 2.67Å; D271-R358 VanDerWaalsContact OD1-CZ 3.3Å; D271-R358 IonicContact OD1-NH1 3.73Å; D271-R358 PolarHBondContact OD1-NH1 3.01Å; D271-R358 IonicContact OD1-NH2 3.36Å; D271-R358 PolarHBondContact OD1-NH2 2.89Å
272	T	91.6	Very high	89.1	Confident	86 Å²	86	50.1 Å²	50.1	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-43.5	170.6	-57.4	0	0	0	0	111.8	V268 V269 S270 L275 M276	V268-T272 WeakPolarHBondContact O-CB 3.37Å; V268-T272 PolarHBondContact O-N 3.49Å; V268-T272 PolarHBondContact O-OG1 2.79Å; V269-T272 WeakPolarHBondContact O-CB 3.34Å; V269-T272 PolarHBondContact O-N 3.45Å; S270-T272 VanDerWaalsContact C-N 3.3Å; T272-L275 PolarHBondContact O-N 3.4Å; T272-M276 PolarHBondContact O-N 2.96Å
273	F	90.6	Very high	89	Confident	75 Å²	75	50.2 Å²	50.2	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-46.1	174.1	-88.1	-81.5	0	0	0	112	W233 M237 L240 V269 S270 L275 M276 D277	W233-F273 AromaticContact CH2-CD1 3.51Å; W233-F273 HydrophobicContact CH2-CD1 3.51Å; W233-F273 HydrophobicContact CH2-CE1 4.2Å; W233-F273 HydrophobicContact CH2-CG 4.45Å; W233-F273 WeakPolarHBondContact CZ2-O 3.41Å; W233-F273 AromaticContact CZ3-CD1 3.55Å; W233-F273 HydrophobicContact CZ3-CD1 3.55Å; W233-F273 AromaticContact CZ3-CE1 3.79Å; W233-F273 HydrophobicContact CZ3-CE1 3.79Å; M237-F273 HydrophobicContact CE-CB 3.93Å; M237-F273 HydrophobicContact CE-CD1 3.5Å; M237-F273 HydrophobicContact CE-CE1 4.37Å; M237-F273 HydrophobicContact CE-CG 4.06Å; M237-F273 HydrophobicContact SD-CB 4.33Å; L240-F273 HydrophobicContact CD2-CB 3.52Å; L240-F273 HydrophobicContact CD2-CD2 4.35Å; L240-F273 HydrophobicContact CD2-CG 3.97Å; V269-F273 HydrophobicContact CG1-CD2 3.9Å; V269-F273 HydrophobicContact CG1-CE2 3.81Å; V269-F273 WeakPolarHBondContact O-CD2 3.3Å; V269-F273 PolarHBondContact O-N 3.13Å; V269-F273 VanDerWaalsContact O-N 3.07Å; S270-F273 WeakPolarHBondContact O-CB 3.34Å; S270-F273 PolarHBondContact O-N 2.85Å; F273-L275 VanDerWaalsContact C-N 3.29Å; F273-L275 PolarHBondContact O-N 2.75Å; F273-M276 PolarHBondContact O-N 3.42Å; F273-D277 PolarHBondContact O-N 3.46Å
274	F	89.9	Confident	88.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.4	-23.2	177.7	-71.7	-62.2	0	0	0	114.1	M237 L240 M241 S270 D271 L278 S317 R358 R361	M237-F274 HydrophobicContact SD-CD1 4.34Å; M237-F274 HydrophobicContact SD-CE1 4.3Å; L240-F274 HydrophobicContact CD2-CE2 4.07Å; L240-F274 HydrophobicContact CD2-CZ 4.18Å; L240-F274 HydrophobicContact CG-CE2 4.11Å; L240-F274 HydrophobicContact CG-CZ 4.12Å; M241-F274 HydrophobicContact CB-CE1 4.17Å; M241-F274 HydrophobicContact CB-CZ 3.89Å; M241-F274 HydrophobicContact CG-CZ 4.43Å; M241-F274 HydrophobicContact SD-CE1 4.4Å; S270-F274 WeakPolarHBondContact O-CD2 3.35Å; S270-F274 PolarHBondContact O-N 3.06Å; S270-F274 VanDerWaalsContact OG-CE2 3.29Å; S270-F274 WeakPolarHBondContact OG-CE2 3.45Å; D271-F274 PolarHBondContact O-N 3.24Å; F274-L278 PolarHBondContact O-N 2.87Å; F274-S317 PolarHBondContact O-OG 3.46Å; F274-R358 VanDerWaalsContact CD2-NH1 3.3Å; F274-R361 PolarHBondContact O-NH1 3.32Å
275	L	90	Very high	88.8	Confident	87 Å²	87	47.3 Å²	47.3	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-76.5	-39.2	171	-176.1	63.2	0	0	0	111.6	D271 T272 F273 D277 L278 V279	D271-L275 VanDerWaalsContact O-CB 3.3Å; D271-L275 WeakPolarHBondContact O-CB 3.22Å; D271-L275 PolarHBondContact O-N 3.04Å; T272-L275 PolarHBondContact O-N 3.4Å; F273-L275 VanDerWaalsContact C-N 3.29Å; F273-L275 PolarHBondContact O-N 2.75Å; L275-D277 VanDerWaalsContact C-N 3.34Å; L275-L278 HydrophobicContact CD1-CD2 4.23Å; L275-L278 WeakPolarHBondContact O-CB 3.42Å; L275-L278 PolarHBondContact O-N 2.85Å; L275-V279 PolarHBondContact O-N 3Å
276	M	88.9	Confident	88.4	Confident	100 Å²	100	45 Å²	45	49%	0.493	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-39.4	172	-174.1	155.6	81.6	0	0	111.3	W233 T272 F273 L278 V279 L280	W233-M276 HydrophobicContact CE3-CE 4.32Å; W233-M276 HydrophobicContact CH2-CB 3.96Å; W233-M276 HydrophobicContact CH2-CE 3.33Å; W233-M276 HydrophobicContact CH2-CG 4.04Å; W233-M276 HydrophobicContact CZ2-CB 4.26Å; W233-M276 HydrophobicContact CZ2-CE 4.4Å; W233-M276 HydrophobicContact CZ2-CG 4.39Å; W233-M276 HydrophobicContact CZ3-CE 3.28Å; T272-M276 PolarHBondContact O-N 2.96Å; F273-M276 PolarHBondContact O-N 3.42Å; M276-L278 VanDerWaalsContact C-N 3.33Å; M276-L278 PolarHBondContact O-N 2.81Å; M276-V279 PolarHBondContact O-N 3.16Å; M276-V279 VanDerWaalsContact O-N 3.11Å; M276-L280 HydrophobicContact CG-CD1 4.21Å; M276-L280 HydrophobicContact CG-CG 4.43Å; M276-L280 WeakPolarHBondContact O-CG 3.44Å; M276-L280 PolarHBondContact O-N 2.9Å
277	D	87.9	Confident	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-43.8	173.5	-173.2	75.8	0	0	0	111.8	W233 M237 F273 L275 V279 L280 N281 R361 Y365	W233-D277 HydrophobicContact CZ2-CB 3.81Å; W233-D277 PolarHBondContact NE1-OD1 2.83Å; M237-D277 HydrophobicContact SD-CB 4.32Å; F273-D277 PolarHBondContact O-N 3.46Å; L275-D277 VanDerWaalsContact C-N 3.34Å; D277-V279 VanDerWaalsContact C-N 3.27Å; D277-V279 PolarHBondContact O-N 2.81Å; D277-L280 PolarHBondContact O-N 3.19Å; D277-L280 VanDerWaalsContact O-N 3.14Å; D277-N281 PolarHBondContact O-N 2.86Å; D277-N281 PolarHBondContact O-ND2 2.67Å; D277-N281 PolarHBondContact OD2-ND2 3.12Å; D277-R361 VanDerWaalsContact OD2-CD 3.26Å; D277-R361 WeakPolarHBondContact OD2-CD 3.42Å; D277-R361 IonicContact OD2-CZ 2.73Å; D277-R361 IonicContact OD2-NE 2.67Å; D277-R361 IonicContact OD2-NH1 2.69Å; D277-R361 PolarHBondContact OD2-NH1 2.92Å; D277-Y365 PolarHBondContact OD1-OH 3.42Å; D277-Y365 PolarHBondContact OD2-OH 3.15Å
278	L	89.8	Confident	87.5	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-39.6	174.9	178	61.1	0	0	0	112.2	F274 L275 M276 F282 Y305 F310 D313 F314	F274-L278 PolarHBondContact O-N 2.87Å; L275-L278 HydrophobicContact CD1-CD2 4.23Å; L275-L278 WeakPolarHBondContact O-CB 3.42Å; L275-L278 PolarHBondContact O-N 2.85Å; M276-L278 VanDerWaalsContact C-N 3.33Å; M276-L278 PolarHBondContact O-N 2.81Å; L278-F282 HydrophobicContact CD1-CE2 4.34Å; L278-F282 WeakPolarHBondContact O-CD2 3.25Å; L278-Y305 HydrophobicContact CD1-CE1 3.92Å; L278-Y305 WeakPolarHBondContact CD1-OH 3.12Å; L278-F310 HydrophobicContact CD1-CD2 3.9Å; L278-F310 HydrophobicContact CD1-CE2 4.08Å; L278-F310 HydrophobicContact CD2-CE2 4.45Å; L278-D313 HydrophobicContact CD1-CB 4.09Å; L278-F314 HydrophobicContact CD2-CB 4.32Å; L278-F314 HydrophobicContact CD2-CD2 4.06Å
279	V	89.6	Confident	86.4	Confident	88 Å²	88	53.1 Å²	53.1	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-71	-39.7	175.8	176.1	0	0	0	0	111.9	L275 M276 D277 N281 F282	L275-V279 PolarHBondContact O-N 3Å; M276-V279 PolarHBondContact O-N 3.16Å; M276-V279 VanDerWaalsContact O-N 3.11Å; D277-V279 VanDerWaalsContact C-N 3.27Å; D277-V279 PolarHBondContact O-N 2.81Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 2.74Å; V279-F282 PolarHBondContact O-N 2.7Å
280	L	85.2	Confident	85	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-34.1	176.5	-66.4	169.5	0	0	0	112.2	I218 W233 M276 D277 F282 R283 T284	I218-L280 HydrophobicContact CD1-CB 4.32Å; I218-L280 HydrophobicContact CD1-CD2 3.86Å; W233-L280 HydrophobicContact CD2-CD1 4.1Å; W233-L280 HydrophobicContact CZ2-CD1 3.93Å; M276-L280 HydrophobicContact CG-CD1 4.21Å; M276-L280 HydrophobicContact CG-CG 4.43Å; M276-L280 WeakPolarHBondContact O-CG 3.44Å; M276-L280 PolarHBondContact O-N 2.9Å; D277-L280 PolarHBondContact O-N 3.19Å; D277-L280 VanDerWaalsContact O-N 3.14Å; L280-F282 VanDerWaalsContact C-N 3.28Å; L280-F282 PolarHBondContact O-N 2.95Å; L280-R283 CarbonylContact O-C 3.51Å; L280-R283 WeakPolarHBondContact O-CA 3.38Å; L280-R283 PolarHBondContact O-N 2.7Å; L280-T284 PolarHBondContact O-N 3.03Å; L280-T284 PolarHBondContact O-OG1 2.78Å
281	N	85.6	Confident	83.7	Confident	27 Å²	27	57.7 Å²	57.7	14%	0.144	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-30.4	175.1	-74.3	-47.6	0	0	0	112.8	D277 V279 R283 T284 Y305	D277-N281 PolarHBondContact O-N 2.86Å; D277-N281 PolarHBondContact O-ND2 2.67Å; D277-N281 PolarHBondContact OD2-ND2 3.12Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 2.74Å; N281-R283 PolarHBondContact O-N 2.8Å; N281-T284 PolarHBondContact O-N 2.97Å; N281-Y305 HydrophobicContact CB-CE1 3.95Å; N281-Y305 HydrophobicContact CB-CE2 4.26Å
282	F	88.6	Confident	82.4	Confident	49 Å²	49	62.8 Å²	62.8	22%	0.215	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.1	170.3	-78.3	-75.4	0	0	0	114.2	L278 V279 L280 I301 K302 Y305 L306 F310	L278-F282 HydrophobicContact CD1-CE2 4.34Å; L278-F282 WeakPolarHBondContact O-CD2 3.25Å; V279-F282 PolarHBondContact O-N 2.7Å; L280-F282 VanDerWaalsContact C-N 3.28Å; L280-F282 PolarHBondContact O-N 2.95Å; F282-I301 WeakPolarHBondContact O-CG2 3.39Å; F282-K302 HydrophobicContact CD1-CB 4.38Å; F282-K302 HydrophobicContact CD1-CG 4.14Å; F282-K302 HydrophobicContact CE1-CG 4.1Å; F282-Y305 AromaticContact CD1-CD1 3.88Å; F282-Y305 HydrophobicContact CD1-CD1 3.88Å; F282-Y305 HydrophobicContact CD2-CD1 4.31Å; F282-Y305 HydrophobicContact CD2-CE1 4.15Å; F282-Y305 AromaticContact CE1-CD1 3.74Å; F282-Y305 HydrophobicContact CE1-CD1 3.74Å; F282-Y305 HydrophobicContact CE1-CE1 4.34Å; F282-Y305 HydrophobicContact CE2-CD1 4.17Å; F282-Y305 AromaticContact CE2-CE1 3.94Å; F282-Y305 HydrophobicContact CE2-CE1 3.94Å; F282-Y305 HydrophobicContact CG-CD1 4.17Å; F282-Y305 HydrophobicContact CG-CE1 4.43Å; F282-Y305 AromaticContact CZ-CD1 3.89Å; F282-Y305 HydrophobicContact CZ-CD1 3.89Å; F282-Y305 HydrophobicContact CZ-CE1 4.05Å; F282-L306 HydrophobicContact CE1-CD2 3.85Å; F282-L306 HydrophobicContact CE1-CG 3.99Å; F282-L306 HydrophobicContact CZ-CD2 3.82Å; F282-L306 HydrophobicContact CZ-CG 4.47Å; F282-F310 AromaticContact CE2-CD2 3.86Å; F282-F310 HydrophobicContact CE2-CD2 3.86Å; F282-F310 AromaticContact CE2-CE2 3.81Å; F282-F310 HydrophobicContact CE2-CE2 3.81Å; F282-F310 AromaticContact CZ-CD2 3.47Å; F282-F310 HydrophobicContact CZ-CD2 3.47Å; F282-F310 VanDerWaalsContact CZ-CD2 3.47Å; F282-F310 AromaticContact CZ-CE2 3.59Å; F282-F310 HydrophobicContact CZ-CE2 3.59Å; F282-F310 HydrophobicContact CZ-CG 4.34Å
283	R	86.3	Confident	81.5	Confident	99 Å²	99	64 Å²	64	37%	0.374	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-4.5	179.7	-58.6	-47.2	-161.3	104.7	-6.5	113.8	F215 W216 I218 L280 N281	F215-R283 PolarHBondContact O-NH1 3.09Å; W216-R283 PolarHBondContact O-NH1 3.42Å; I218-R283 HydrophobicContact CD1-CB 4.23Å; I218-R283 PolarHBondContact N-O 3.23Å; L280-R283 CarbonylContact O-C 3.51Å; L280-R283 WeakPolarHBondContact O-CA 3.38Å; L280-R283 PolarHBondContact O-N 2.7Å; N281-R283 PolarHBondContact O-N 2.8Å
284	T	85	Confident	81.1	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.11	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-86.5	125	-179	-60.5	0	0	0	0	110.4	L280 N281 I301	L280-T284 PolarHBondContact O-N 3.03Å; L280-T284 PolarHBondContact O-OG1 2.78Å; N281-T284 PolarHBondContact O-N 2.97Å; T284-I301 WeakPolarHBondContact O-CG2 3.41Å
285	G	84.4	Confident	80.9	Confident	4 Å²	4	62.5 Å²	62.5	4%	0.041	32%	0.318	C	S	.	.			trans	-63.1	137	177.6	0	0	0	0	0	111.9	I218 P220 I295	I218-G285 PolarHBondContact O-N 2.82Å; P220-G285 WeakPolarHBondContact CB-O 3.38Å; P220-G285 WeakPolarHBondContact CG-O 3.41Å; G285-I295 CarbonylContact C-O 3.45Å; G285-I295 WeakPolarHBondContact CA-O 3.47Å
286	I	83.2	Confident	80.6	Confident	42 Å²	42	58.6 Å²	58.6	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.9	-174	-57.2	174.4	0	0	0	109.4	I295 I301 K304	I286-I295 PolarHBondContact N-O 3.06Å; I286-I295 PolarHBondContact O-N 2.82Å; I286-I301 HydrophobicContact CD1-CG2 4.22Å; I286-I301 HydrophobicContact CG1-CG1 4.46Å; I286-I301 HydrophobicContact CG1-CG2 4.41Å; I286-K304 HydrophobicContact CB-CD 4.49Å; I286-K304 HydrophobicContact CD1-CB 4Å; I286-K304 HydrophobicContact CD1-CD 3.95Å; I286-K304 HydrophobicContact CD1-CG 4.07Å; I286-K304 HydrophobicContact CG2-CD 3.99Å
287	V	81.2	Confident	80.5	Confident	38 Å²	38	56.8 Å²	56.8	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	138.1	169.9	-169.3	0	0	0	0	109.3	P220 Y221 N291 I294	P220-V287 HydrophobicContact CB-CG2 3.91Å; P220-V287 HydrophobicContact CG-CG2 3.66Å; Y221-V287 HydrophobicContact CE1-CG2 4.37Å; Y221-V287 HydrophobicContact CE2-CG2 4.1Å; V287-N291 WeakPolarHBondContact CG1-OD1 3.48Å; V287-I294 HydrophobicContact CG2-CG1 4.4Å
288	K	77.7	Confident	80.4	Confident	70 Å²	70	58.9 Å²	58.9	30%	0.304	30%	0.303	S	S	.	.			trans	-88.2	146.5	173.9	-166.2	-174.3	179.5	-145.9	0	109.6	D290 N291 E293	K288-D290 WeakPolarHBondContact CD-OD2 3.43Å; K288-D290 WeakPolarHBondContact CE-OD2 3.36Å; K288-D290 IonicContact NZ-OD2 3.53Å; K288-D290 PolarHBondContact NZ-OD2 2.94Å; K288-D290 PolarHBondContact O-N 3.42Å; K288-D290 VanDerWaalsContact O-N 3.08Å; K288-N291 WeakPolarHBondContact O-CA 3.5Å; K288-N291 PolarHBondContact O-N 2.92Å; K288-E293 HydrophobicContact CB-CB 4.41Å; K288-E293 WeakPolarHBondContact CB-O 3.48Å; K288-E293 HydrophobicContact CD-CB 4.03Å; K288-E293 VanDerWaalsContact CD-OE2 3.27Å; K288-E293 WeakPolarHBondContact CD-OE2 3.27Å; K288-E293 WeakPolarHBondContact CE-OE2 3.42Å; K288-E293 PolarHBondContact N-O 3.07Å; K288-E293 IonicContact NZ-OE2 3.3Å; K288-E293 PolarHBondContact NZ-OE2 2.8Å
289	E	66.1	Low	80.4	Confident	197 Å²	197	64 Å²	64	92%	0.921	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.1	-174.4	-145.7	154.7	-159	0	0	113.3	N291	E289-N291 PolarHBondContact O-N 3.03Å
290	D	62.2	Low	80.3	Confident	100 Å²	100	64.8 Å²	64.8	54%	0.535	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-2.2	172.8	-47.5	-53.4	0	0	0	114.2	K288 T292	K288-D290 WeakPolarHBondContact CD-OD2 3.43Å; K288-D290 WeakPolarHBondContact CE-OD2 3.36Å; K288-D290 IonicContact NZ-OD2 3.53Å; K288-D290 PolarHBondContact NZ-OD2 2.94Å; K288-D290 PolarHBondContact O-N 3.42Å; K288-D290 VanDerWaalsContact O-N 3.08Å; D290-T292 PolarHBondContact O-N 3.08Å; D290-T292 PolarHBondContact O-OG1 3.08Å
291	N	63.4	Low	80.5	Confident	70 Å²	70	62.5 Å²	62.5	37%	0.374	31%	0.313	S	S	.	.	S	Bend	trans	52.4	5.6	-175.9	-88.6	-31.5	0	0	0	117.3	M196 V287 K288 E289	M196-N291 HydrophobicContact CE-CB 3.98Å; M196-N291 VanDerWaalsContact CE-O 3.29Å; M196-N291 WeakPolarHBondContact CE-O 3.34Å; V287-N291 WeakPolarHBondContact CG1-OD1 3.48Å; K288-N291 WeakPolarHBondContact O-CA 3.5Å; K288-N291 PolarHBondContact O-N 2.92Å; E289-N291 PolarHBondContact O-N 3.03Å
292	T	63.7	Low	80.7	Confident	114 Å²	114	66 Å²	66	70%	0.699	33%	0.327	S	S	*	.	S	Bend	trans	-93.5	-21.2	-177.7	40.2	0	0	0	0	114.5	D290	D290-T292 PolarHBondContact O-N 3.08Å; D290-T292 PolarHBondContact O-OG1 3.08Å
293	E	71.9	Confident	80.8	Confident	110 Å²	110	68.9 Å²	68.9	51%	0.514	34%	0.343	S	S	.	.			trans	-135.1	130.4	-173.3	-63.4	178	133.4	0	0	111.1	K288	K288-E293 HydrophobicContact CB-CB 4.41Å; K288-E293 WeakPolarHBondContact CB-O 3.48Å; K288-E293 HydrophobicContact CD-CB 4.03Å; K288-E293 VanDerWaalsContact CD-OE2 3.27Å; K288-E293 WeakPolarHBondContact CD-OE2 3.27Å; K288-E293 WeakPolarHBondContact CE-OE2 3.42Å; K288-E293 PolarHBondContact N-O 3.07Å; K288-E293 IonicContact NZ-OE2 3.3Å; K288-E293 PolarHBondContact NZ-OE2 2.8Å
294	I	83.1	Confident	81	Confident	11 Å²	11	68.2 Å²	68.2	6%	0.056	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121	174.1	-60.8	170.7	0	0	0	108.5	F197 R209 H219 P220 Y221 V287 L296	F197-I294 HydrophobicContact CE1-CD1 4.03Å; F197-I294 HydrophobicContact CZ-CD1 3.75Å; R209-I294 VanDerWaalsContact CZ-O 3.29Å; R209-I294 PolarHBondContact NH1-O 2.83Å; R209-I294 PolarHBondContact NH2-O 3.43Å; H219-I294 WeakPolarHBondContact NE2-CD1 3.37Å; P220-I294 HydrophobicContact CG-CD1 4.32Å; P220-I294 HydrophobicContact CG-CG2 3.65Å; Y221-I294 HydrophobicContact CD2-CD1 3.84Å; Y221-I294 HydrophobicContact CE2-CD1 3.72Å; V287-I294 HydrophobicContact CG2-CG1 4.4Å; I294-L296 HydrophobicContact CG2-CD2 4Å; I294-L296 HydrophobicContact CG2-CG 4.42Å; I294-L296 PolarHBondContact O-N 3.21Å
295	I	84.4	Confident	81.2	Confident	34 Å²	34	68.2 Å²	68.2	17%	0.174	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.7	-179.4	-55.8	175.4	0	0	0	108.9	G285 I286 Q300 I301 K304	G285-I295 CarbonylContact C-O 3.45Å; G285-I295 WeakPolarHBondContact CA-O 3.47Å; I286-I295 PolarHBondContact N-O 3.06Å; I286-I295 PolarHBondContact O-N 2.82Å; I295-Q300 HydrophobicContact CG2-CB 3.6Å; I295-I301 HydrophobicContact CG2-CG1 4.34Å; I295-K304 HydrophobicContact CD1-CD 4.15Å
296	L	83.9	Confident	81.5	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	36%	0.357	C	S	.	.			trans	-106.6	-11.6	177.2	-62.4	-179.7	0	0	0	114.1	R209 V210 A213 I217 I294 P298	R209-L296 HydrophobicContact CB-CD1 4.45Å; R209-L296 HydrophobicContact CG-CD1 4.29Å; V210-L296 HydrophobicContact CB-CD1 4.4Å; V210-L296 HydrophobicContact CG2-CD1 3.62Å; V210-L296 HydrophobicContact CG2-CD2 4.45Å; A213-L296 HydrophobicContact CB-CB 3.62Å; A213-L296 HydrophobicContact CB-CD1 4.25Å; I217-L296 HydrophobicContact CG2-CB 4.46Å; I217-L296 HydrophobicContact CG2-CD2 4.05Å; I294-L296 HydrophobicContact CG2-CD2 4Å; I294-L296 HydrophobicContact CG2-CG 4.42Å; I294-L296 PolarHBondContact O-N 3.21Å; L296-P298 WeakPolarHBondContact O-CD 3.26Å
297	D	87.1	Confident	82	Confident	62 Å²	62	80.1 Å²	80.1	33%	0.332	39%	0.387	S	S	.	.			trans	-62.9	119.5	178.4	172.5	-7.7	0	0	0	110.4	Q299 Q300 I301	D297-Q299 PolarHBondContact O-N 3.21Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.25Å; D297-Q299 PolarHBondContact OD1-N 3.27Å; D297-Q300 HydrophobicContact CB-CB 4.06Å; D297-Q300 HydrophobicContact CB-CG 4.11Å; D297-Q300 PolarHBondContact O-N 2.97Å; D297-Q300 VanDerWaalsContact O-N 3.16Å; D297-Q300 WeakPolarHBondContact OD2-CG 3.37Å; D297-Q300 PolarHBondContact OD2-NE2 3.2Å; D297-I301 WeakPolarHBondContact O-CG1 3.44Å; D297-I301 PolarHBondContact O-N 3.5Å
298	P	86.7	Confident	82.2	Confident	44 Å²	44	81.1 Å²	81.1	29%	0.286	40%	0.396	S	S	.	.	H	α-helix	trans	-56.4	-33.6	-178.7	-20.4	28.4	0	0	0	114	I217 L296 K302	I217-P298 HydrophobicContact CD1-CB 4.23Å; I217-P298 HydrophobicContact CD1-CG 3.93Å; I217-P298 HydrophobicContact CG1-CG 4.22Å; L296-P298 WeakPolarHBondContact O-CD 3.26Å; P298-K302 WeakPolarHBondContact O-CB 3.49Å; P298-K302 PolarHBondContact O-N 2.86Å
299	Q	88.3	Confident	82.7	Confident	117 Å²	117	83.5 Å²	83.5	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-73.7	-41.8	179.8	-60.1	-63.5	-10.8	0	0	111	D297 K302 I303	D297-Q299 PolarHBondContact O-N 3.21Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.25Å; D297-Q299 PolarHBondContact OD1-N 3.27Å; Q299-K302 PolarHBondContact O-N 3.05Å; Q299-I303 WeakPolarHBondContact O-CB 3.4Å; Q299-I303 VanDerWaalsContact O-CG1 3.26Å; Q299-I303 WeakPolarHBondContact O-CG1 3.35Å; Q299-I303 PolarHBondContact O-N 3.4Å
300	Q	88.7	Confident	83.9	Confident	103 Å²	103	76.1 Å²	76.1	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-41.2	176.8	-69.1	177.9	60.8	0	0	111.8	I295 D297 I303 K304	I295-Q300 HydrophobicContact CG2-CB 3.6Å; D297-Q300 HydrophobicContact CB-CB 4.06Å; D297-Q300 HydrophobicContact CB-CG 4.11Å; D297-Q300 PolarHBondContact O-N 2.97Å; D297-Q300 VanDerWaalsContact O-N 3.16Å; D297-Q300 WeakPolarHBondContact OD2-CG 3.37Å; D297-Q300 PolarHBondContact OD2-NE2 3.2Å; Q300-I303 PolarHBondContact O-N 3.37Å; Q300-K304 WeakPolarHBondContact O-CB 3.35Å; Q300-K304 PolarHBondContact O-N 2.94Å
301	I	88.9	Confident	85.2	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56.5	-53.5	171.8	-66.7	164	0	0	0	109.6	I217 F282 T284 I286 I295 D297 I303 K304 Y305	I217-I301 HydrophobicContact CD1-CD1 4.29Å; F282-I301 WeakPolarHBondContact O-CG2 3.39Å; T284-I301 WeakPolarHBondContact O-CG2 3.41Å; I286-I301 HydrophobicContact CD1-CG2 4.22Å; I286-I301 HydrophobicContact CG1-CG1 4.46Å; I286-I301 HydrophobicContact CG1-CG2 4.41Å; I295-I301 HydrophobicContact CG2-CG1 4.34Å; D297-I301 WeakPolarHBondContact O-CG1 3.44Å; D297-I301 PolarHBondContact O-N 3.5Å; I301-I303 PolarHBondContact O-N 2.73Å; I301-K304 PolarHBondContact O-N 3.08Å; I301-Y305 WeakPolarHBondContact O-CB 3.36Å; I301-Y305 PolarHBondContact O-N 3.23Å
302	K	90.4	Very high	86.4	Confident	101 Å²	101	74.3 Å²	74.3	44%	0.439	36%	0.363	S	S	.	.	H	α-helix	trans	-56.6	-50.4	179.6	-179.8	-179.6	178.2	-176.1	0	112.2	F282 P298 Q299 Y305 L306	F282-K302 HydrophobicContact CD1-CB 4.38Å; F282-K302 HydrophobicContact CD1-CG 4.14Å; F282-K302 HydrophobicContact CE1-CG 4.1Å; P298-K302 WeakPolarHBondContact O-CB 3.49Å; P298-K302 PolarHBondContact O-N 2.86Å; Q299-K302 PolarHBondContact O-N 3.05Å; K302-Y305 PolarHBondContact O-N 3Å; K302-L306 HydrophobicContact CG-CD1 3.81Å; K302-L306 HydrophobicContact CG-CG 4.3Å; K302-L306 VanDerWaalsContact O-CB 3.3Å; K302-L306 WeakPolarHBondContact O-CB 3.41Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 3.2Å
303	I	90.4	Very high	87.6	Confident	108 Å²	108	68.9 Å²	68.9	55%	0.554	33%	0.329	S	S	*	.	H	α-helix	trans	-65.5	-43	-178.2	-68.2	165.8	0	0	0	111.1	Q299 Q300 I301 R307	Q299-I303 WeakPolarHBondContact O-CB 3.4Å; Q299-I303 VanDerWaalsContact O-CG1 3.26Å; Q299-I303 WeakPolarHBondContact O-CG1 3.35Å; Q299-I303 PolarHBondContact O-N 3.4Å; Q300-I303 PolarHBondContact O-N 3.37Å; I301-I303 PolarHBondContact O-N 2.73Å; I303-R307 VanDerWaalsContact O-CB 3.27Å; I303-R307 WeakPolarHBondContact O-CB 3.3Å; I303-R307 PolarHBondContact O-N 3.49Å; I303-R307 VanDerWaalsContact O-N 3.1Å
304	K	89.4	Confident	88.5	Confident	86 Å²	86	67.9 Å²	67.9	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-38.2	179.3	-170.5	173.9	177.8	-173.1	0	111.8	I286 I295 Q300 I301 S308	I286-K304 HydrophobicContact CB-CD 4.49Å; I286-K304 HydrophobicContact CD1-CB 4Å; I286-K304 HydrophobicContact CD1-CD 3.95Å; I286-K304 HydrophobicContact CD1-CG 4.07Å; I286-K304 HydrophobicContact CG2-CD 3.99Å; I295-K304 HydrophobicContact CD1-CD 4.15Å; Q300-K304 WeakPolarHBondContact O-CB 3.35Å; Q300-K304 PolarHBondContact O-N 2.94Å; I301-K304 PolarHBondContact O-N 3.08Å; K304-S308 WeakPolarHBondContact O-CB 3.5Å; K304-S308 PolarHBondContact O-N 3.42Å; K304-S308 PolarHBondContact O-OG 3.1Å
305	Y	89.9	Confident	88.8	Confident	17 Å²	17	70.4 Å²	70.4	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-73.1	-45.9	177.1	-176	-126.7	0	0	0	112.8	L278 N281 F282 I301 K302 R307 S308 W309 F310 D313	L278-Y305 HydrophobicContact CD1-CE1 3.92Å; L278-Y305 WeakPolarHBondContact CD1-OH 3.12Å; N281-Y305 HydrophobicContact CB-CE1 3.95Å; N281-Y305 HydrophobicContact CB-CE2 4.26Å; F282-Y305 AromaticContact CD1-CD1 3.88Å; F282-Y305 HydrophobicContact CD1-CD1 3.88Å; F282-Y305 HydrophobicContact CD2-CD1 4.31Å; F282-Y305 HydrophobicContact CD2-CE1 4.15Å; F282-Y305 AromaticContact CE1-CD1 3.74Å; F282-Y305 HydrophobicContact CE1-CD1 3.74Å; F282-Y305 HydrophobicContact CE1-CE1 4.34Å; F282-Y305 HydrophobicContact CE2-CD1 4.17Å; F282-Y305 AromaticContact CE2-CE1 3.94Å; F282-Y305 HydrophobicContact CE2-CE1 3.94Å; F282-Y305 HydrophobicContact CG-CD1 4.17Å; F282-Y305 HydrophobicContact CG-CE1 4.43Å; F282-Y305 AromaticContact CZ-CD1 3.89Å; F282-Y305 HydrophobicContact CZ-CD1 3.89Å; F282-Y305 HydrophobicContact CZ-CE1 4.05Å; I301-Y305 WeakPolarHBondContact O-CB 3.36Å; I301-Y305 PolarHBondContact O-N 3.23Å; K302-Y305 PolarHBondContact O-N 3Å; Y305-R307 PolarHBondContact O-N 3.19Å; Y305-S308 PolarHBondContact O-N 3.47Å; Y305-S308 VanDerWaalsContact O-N 3.07Å; Y305-S308 PolarHBondContact O-OG 3.17Å; Y305-W309 HydrophobicContact CD2-CB 4.4Å; Y305-W309 HydrophobicContact CE2-CB 4.03Å; Y305-W309 PolarHBondContact O-N 2.86Å; Y305-F310 HydrophobicContact CD1-CB 4.24Å; Y305-F310 HydrophobicContact CD1-CD2 4.47Å; Y305-F310 HydrophobicContact CE1-CB 4.18Å; Y305-F310 HydrophobicContact CE1-CD2 4.01Å; Y305-F310 WeakPolarHBondContact O-CB 3.35Å; Y305-F310 PolarHBondContact O-N 3.24Å; Y305-D313 WeakPolarHBondContact OH-CB 3.04Å; Y305-D313 PolarHBondContact OH-OD2 3Å; Y305-D313 VanDerWaalsContact OH-OD2 3.13Å
306	L	91.8	Very high	89	Confident	71 Å²	71	68.8 Å²	68.8	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-57.4	-36.7	175.3	-74.4	177	0	0	0	112.6	F282 K302 S308 F310	F282-L306 HydrophobicContact CE1-CD2 3.85Å; F282-L306 HydrophobicContact CE1-CG 3.99Å; F282-L306 HydrophobicContact CZ-CD2 3.82Å; F282-L306 HydrophobicContact CZ-CG 4.47Å; K302-L306 HydrophobicContact CG-CD1 3.81Å; K302-L306 HydrophobicContact CG-CG 4.3Å; K302-L306 VanDerWaalsContact O-CB 3.3Å; K302-L306 WeakPolarHBondContact O-CB 3.41Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 3.2Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-F310 HydrophobicContact CD2-CB 4.23Å; L306-F310 HydrophobicContact CD2-CD1 3.55Å; L306-F310 HydrophobicContact CD2-CD2 4.04Å; L306-F310 HydrophobicContact CD2-CE1 3.87Å; L306-F310 HydrophobicContact CD2-CE2 4.34Å; L306-F310 HydrophobicContact CD2-CG 3.64Å; L306-F310 HydrophobicContact CD2-CZ 4.26Å
307	R	92	Very high	89.2	Confident	226 Å²	226	68.7 Å²	68.7	85%	0.853	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.1	179.1	-176.4	170.8	175.2	-177.4	-2	114.1	I303 Y305	I303-R307 VanDerWaalsContact O-CB 3.27Å; I303-R307 WeakPolarHBondContact O-CB 3.3Å; I303-R307 PolarHBondContact O-N 3.49Å; I303-R307 VanDerWaalsContact O-N 3.1Å; Y305-R307 PolarHBondContact O-N 3.19Å
308	S	87	Confident	89.3	Confident	58 Å²	58	67.6 Å²	67.6	41%	0.406	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-95.3	-174.4	56	0	0	0	0	112.4	K304 Y305 L306	K304-S308 WeakPolarHBondContact O-CB 3.5Å; K304-S308 PolarHBondContact O-N 3.42Å; K304-S308 PolarHBondContact O-OG 3.1Å; Y305-S308 PolarHBondContact O-N 3.47Å; Y305-S308 VanDerWaalsContact O-N 3.07Å; Y305-S308 PolarHBondContact O-OG 3.17Å; L306-S308 VanDerWaalsContact C-N 3.34Å
309	W	87.5	Confident	89.3	Confident	120 Å²	120	67.4 Å²	67.4	46%	0.455	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-17	-166	-63.8	101	0	0	0	114.5	Y305 V311 V312 D313	Y305-W309 HydrophobicContact CD2-CB 4.4Å; Y305-W309 HydrophobicContact CE2-CB 4.03Å; Y305-W309 PolarHBondContact O-N 2.86Å; W309-V311 VanDerWaalsContact C-N 3.3Å; W309-V311 PolarHBondContact O-N 3.47Å; W309-V311 VanDerWaalsContact O-N 3.12Å; W309-V312 PolarHBondContact O-N 3.29Å; W309-D313 PolarHBondContact O-N 2.72Å
310	F	90.8	Very high	89	Confident	42 Å²	42	63.9 Å²	63.9	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-48.9	-44.4	-174.5	171	-104.2	0	0	0	114.3	L278 F282 Y305 L306 V312 D313 F314	L278-F310 HydrophobicContact CD1-CD2 3.9Å; L278-F310 HydrophobicContact CD1-CE2 4.08Å; L278-F310 HydrophobicContact CD2-CE2 4.45Å; F282-F310 AromaticContact CE2-CD2 3.86Å; F282-F310 HydrophobicContact CE2-CD2 3.86Å; F282-F310 AromaticContact CE2-CE2 3.81Å; F282-F310 HydrophobicContact CE2-CE2 3.81Å; F282-F310 AromaticContact CZ-CD2 3.47Å; F282-F310 HydrophobicContact CZ-CD2 3.47Å; F282-F310 VanDerWaalsContact CZ-CD2 3.47Å; F282-F310 AromaticContact CZ-CE2 3.59Å; F282-F310 HydrophobicContact CZ-CE2 3.59Å; F282-F310 HydrophobicContact CZ-CG 4.34Å; Y305-F310 HydrophobicContact CD1-CB 4.24Å; Y305-F310 HydrophobicContact CD1-CD2 4.47Å; Y305-F310 HydrophobicContact CE1-CB 4.18Å; Y305-F310 HydrophobicContact CE1-CD2 4.01Å; Y305-F310 WeakPolarHBondContact O-CB 3.35Å; Y305-F310 PolarHBondContact O-N 3.24Å; L306-F310 HydrophobicContact CD2-CB 4.23Å; L306-F310 HydrophobicContact CD2-CD1 3.55Å; L306-F310 HydrophobicContact CD2-CD2 4.04Å; L306-F310 HydrophobicContact CD2-CE1 3.87Å; L306-F310 HydrophobicContact CD2-CE2 4.34Å; L306-F310 HydrophobicContact CD2-CG 3.64Å; L306-F310 HydrophobicContact CD2-CZ 4.26Å; F310-V312 PolarHBondContact O-N 2.92Å; F310-D313 PolarHBondContact O-N 3.49Å; F310-F314 HydrophobicContact CD2-CB 4.46Å; F310-F314 HydrophobicContact CE1-CB 4.35Å; F310-F314 HydrophobicContact CE1-CG 4.42Å; F310-F314 HydrophobicContact CE2-CB 4.06Å; F310-F314 AromaticContact CE2-CD2 3.99Å; F310-F314 HydrophobicContact CE2-CD2 3.99Å; F310-F314 HydrophobicContact CE2-CG 4.35Å; F310-F314 HydrophobicContact CZ-CB 4Å; F310-F314 AromaticContact CZ-CD2 3.64Å; F310-F314 HydrophobicContact CZ-CD2 3.64Å; F310-F314 HydrophobicContact CZ-CE2 4.27Å; F310-F314 AromaticContact CZ-CG 3.93Å; F310-F314 HydrophobicContact CZ-CG 3.93Å; F310-F314 WeakPolarHBondContact O-CB 3.35Å; F310-F314 PolarHBondContact O-N 2.84Å
311	V	90.4	Very high	88.7	Confident	84 Å²	84	59.4 Å²	59.4	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-42	-176.5	-179.8	0	0	0	0	111.4	W309 I315	W309-V311 VanDerWaalsContact C-N 3.3Å; W309-V311 PolarHBondContact O-N 3.47Å; W309-V311 VanDerWaalsContact O-N 3.12Å; V311-I315 HydrophobicContact CG1-CD1 3.95Å; V311-I315 WeakPolarHBondContact O-CD1 3.42Å; V311-I315 VanDerWaalsContact O-CG1 3.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.4Å; V311-I315 PolarHBondContact O-N 3Å; V311-I315 VanDerWaalsContact O-N 3.14Å
312	V	88.7	Confident	88.5	Confident	48 Å²	48	61.1 Å²	61.1	29%	0.291	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-45.5	177.7	-175.3	0	0	0	0	109.9	W309 F310 S316 L357 S360	W309-V312 PolarHBondContact O-N 3.29Å; F310-V312 PolarHBondContact O-N 2.92Å; V312-S316 VanDerWaalsContact O-CB 3.22Å; V312-S316 WeakPolarHBondContact O-CB 2.97Å; V312-S316 PolarHBondContact O-N 3.33Å; V312-S316 PolarHBondContact O-OG 2.98Å; V312-L357 HydrophobicContact CG1-CB 4.13Å; V312-S360 WeakPolarHBondContact CG1-OG 3.28Å
313	D	89	Confident	88.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-44.4	179.6	-74	-43.8	0	0	0	112	L278 Y305 W309 F310 S316 S317 R361 R364	L278-D313 HydrophobicContact CD1-CB 4.09Å; Y305-D313 WeakPolarHBondContact OH-CB 3.04Å; Y305-D313 PolarHBondContact OH-OD2 3Å; Y305-D313 VanDerWaalsContact OH-OD2 3.13Å; W309-D313 PolarHBondContact O-N 2.72Å; F310-D313 PolarHBondContact O-N 3.49Å; D313-S316 WeakPolarHBondContact CA-OG 3.47Å; D313-S316 CarbonylContact O-C 3.59Å; D313-S316 PolarHBondContact O-N 2.9Å; D313-S316 PolarHBondContact O-OG 3.25Å; D313-S317 WeakPolarHBondContact O-CB 3.12Å; D313-S317 PolarHBondContact O-N 2.69Å; D313-S317 PolarHBondContact O-OG 3.2Å; D313-S317 VanDerWaalsContact O-OG 3.1Å; D313-R361 PolarHBondContact O-NH2 2.67Å; D313-R361 IonicContact OD1-CZ 2.63Å; D313-R361 VanDerWaalsContact OD1-CZ 3.29Å; D313-R361 IonicContact OD1-NE 3.52Å; D313-R361 PolarHBondContact OD1-NE 3.08Å; D313-R361 IonicContact OD1-NH2 3.2Å; D313-R361 PolarHBondContact OD1-NH2 3.42Å; D313-R364 IonicContact OD1-CZ 2.71Å; D313-R364 IonicContact OD1-NH1 3.16Å; D313-R364 IonicContact OD1-NH2 3.67Å; D313-R364 PolarHBondContact OD1-NH2 3.34Å; D313-R364 IonicContact OD2-CZ 3.18Å; D313-R364 IonicContact OD2-NH2 2.99Å; D313-R364 PolarHBondContact OD2-NH2 3.27Å
314	F	91	Very high	87.7	Confident	90 Å²	90	58 Å²	58	40%	0.395	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-50.9	177.1	179.4	-97.9	0	0	0	112.3	L278 F310 S316 S317 I318	L278-F314 HydrophobicContact CD2-CB 4.32Å; L278-F314 HydrophobicContact CD2-CD2 4.06Å; F310-F314 HydrophobicContact CD2-CB 4.46Å; F310-F314 HydrophobicContact CE1-CB 4.35Å; F310-F314 HydrophobicContact CE1-CG 4.42Å; F310-F314 HydrophobicContact CE2-CB 4.06Å; F310-F314 AromaticContact CE2-CD2 3.99Å; F310-F314 HydrophobicContact CE2-CD2 3.99Å; F310-F314 HydrophobicContact CE2-CG 4.35Å; F310-F314 HydrophobicContact CZ-CB 4Å; F310-F314 AromaticContact CZ-CD2 3.64Å; F310-F314 HydrophobicContact CZ-CD2 3.64Å; F310-F314 HydrophobicContact CZ-CE2 4.27Å; F310-F314 AromaticContact CZ-CG 3.93Å; F310-F314 HydrophobicContact CZ-CG 3.93Å; F310-F314 WeakPolarHBondContact O-CB 3.35Å; F310-F314 PolarHBondContact O-N 2.84Å; F314-S316 VanDerWaalsContact C-N 3.27Å; F314-S316 PolarHBondContact O-N 2.95Å; F314-S317 PolarHBondContact O-N 3.46Å; F314-I318 HydrophobicContact CD1-CD1 3.89Å; F314-I318 HydrophobicContact CD2-CD1 3.91Å; F314-I318 HydrophobicContact CE1-CD1 3.54Å; F314-I318 HydrophobicContact CE2-CD1 3.57Å; F314-I318 HydrophobicContact CG-CD1 4.07Å; F314-I318 HydrophobicContact CZ-CD1 3.37Å; F314-I318 WeakPolarHBondContact O-CG1 3.28Å; F314-I318 PolarHBondContact O-N 3.19Å
315	I	89.5	Confident	87.2	Confident	64 Å²	64	56 Å²	56	33%	0.328	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-39.4	176	-66	167.6	0	0	0	110.4	V311 S317 L354 L357	V311-I315 HydrophobicContact CG1-CD1 3.95Å; V311-I315 WeakPolarHBondContact O-CD1 3.42Å; V311-I315 VanDerWaalsContact O-CG1 3.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.4Å; V311-I315 PolarHBondContact O-N 3Å; V311-I315 VanDerWaalsContact O-N 3.14Å; I315-S317 PolarHBondContact O-N 2.9Å; I315-L354 HydrophobicContact CG2-CB 4.25Å; I315-L354 HydrophobicContact CG2-CD1 4.31Å; I315-L357 HydrophobicContact CG2-CD1 3.89Å
316	S	87.8	Confident	86.8	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-72.9	-23.3	-179.9	81.9	0	0	0	0	114.2	V312 D313 F314 R358 R361	V312-S316 VanDerWaalsContact O-CB 3.22Å; V312-S316 WeakPolarHBondContact O-CB 2.97Å; V312-S316 PolarHBondContact O-N 3.33Å; V312-S316 PolarHBondContact O-OG 2.98Å; D313-S316 WeakPolarHBondContact CA-OG 3.47Å; D313-S316 CarbonylContact O-C 3.59Å; D313-S316 PolarHBondContact O-N 2.9Å; D313-S316 PolarHBondContact O-OG 3.25Å; F314-S316 VanDerWaalsContact C-N 3.27Å; F314-S316 PolarHBondContact O-N 2.95Å; S316-R358 VanDerWaalsContact O-CZ 3.24Å; S316-R358 PolarHBondContact O-NE 3.08Å; S316-R358 PolarHBondContact O-NH2 3.35Å; S316-R361 PolarHBondContact OG-NH2 3.48Å; S316-R361 VanDerWaalsContact OG-NH2 3.11Å
317	S	88.2	Confident	86.3	Confident	2 Å²	2	60 Å²	60	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-93	-12.3	-177.8	-70.5	0	0	0	0	113.7	F274 D313 F314 I315 R361	F274-S317 PolarHBondContact O-OG 3.46Å; D313-S317 WeakPolarHBondContact O-CB 3.12Å; D313-S317 PolarHBondContact O-N 2.69Å; D313-S317 PolarHBondContact O-OG 3.2Å; D313-S317 VanDerWaalsContact O-OG 3.1Å; F314-S317 PolarHBondContact O-N 3.46Å; I315-S317 PolarHBondContact O-N 2.9Å; S317-R361 PolarHBondContact OG-NH2 2.81Å; S317-R361 VanDerWaalsContact OG-NH2 3.13Å
318	I	88.1	Confident	85.4	Confident	39 Å²	39	50.5 Å²	50.5	20%	0.2	26%	0.261	C	S	.	.	S	Bend	trans	-95.7	136.6	-175.7	-73.4	174.9	0	0	0	111.8	F314 V320 I323	F314-I318 HydrophobicContact CD1-CD1 3.89Å; F314-I318 HydrophobicContact CD2-CD1 3.91Å; F314-I318 HydrophobicContact CE1-CD1 3.54Å; F314-I318 HydrophobicContact CE2-CD1 3.57Å; F314-I318 HydrophobicContact CG-CD1 4.07Å; F314-I318 HydrophobicContact CZ-CD1 3.37Å; F314-I318 WeakPolarHBondContact O-CG1 3.28Å; F314-I318 PolarHBondContact O-N 3.19Å; I318-V320 HydrophobicContact CB-CG2 4.32Å; I318-V320 HydrophobicContact CG2-CG2 3.85Å; I318-V320 PolarHBondContact O-N 2.87Å; I318-I323 HydrophobicContact CG2-CD1 3.57Å
319	P	86.8	Confident	84.7	Confident	39 Å²	39	51.5 Å²	51.5	25%	0.253	27%	0.265	S	S	.	.			trans	-75	70.5	170.9	31.4	-35.8	0	0	0	111.6	D271 D321 Y322 I323	D271-P319 WeakPolarHBondContact OD2-CB 3.48Å; P319-D321 PolarHBondContact O-N 3.35Å; P319-Y322 HydrophobicContact CB-CD2 3.79Å; P319-Y322 HydrophobicContact CB-CG 4.47Å; P319-Y322 PolarHBondContact O-N 3.13Å; P319-I323 HydrophobicContact CG-CD1 4.43Å; P319-I323 WeakPolarHBondContact O-CG1 3.45Å; P319-I323 PolarHBondContact O-N 3.31Å
320	V	83.5	Confident	84	Confident	43 Å²	43	55.6 Å²	55.6	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-33.1	-178.1	-176.4	0	0	0	0	111.5	I318 F324 L351 L354	I318-V320 HydrophobicContact CB-CG2 4.32Å; I318-V320 HydrophobicContact CG2-CG2 3.85Å; I318-V320 PolarHBondContact O-N 2.87Å; V320-F324 VanDerWaalsContact O-CB 3.25Å; V320-F324 WeakPolarHBondContact O-CB 3.4Å; V320-F324 PolarHBondContact O-N 3.34Å; V320-L351 HydrophobicContact CG1-CB 4.44Å; V320-L351 HydrophobicContact CG1-CD1 4.37Å; V320-L351 HydrophobicContact CG1-CD2 4.13Å; V320-L354 HydrophobicContact CG1-CD1 4.49Å; V320-L354 HydrophobicContact CG2-CD1 4.47Å
321	D	81.9	Confident	83	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-49.9	176	55.6	-8.3	0	0	0	113.1	P319 F324 L325 S352 R355	P319-D321 PolarHBondContact O-N 3.35Å; D321-F324 PolarHBondContact O-N 3.01Å; D321-L325 WeakPolarHBondContact O-CG 3.43Å; D321-L325 PolarHBondContact O-N 2.92Å; D321-S352 VanDerWaalsContact OD2-CB 3.3Å; D321-S352 WeakPolarHBondContact OD2-CB 3.31Å; D321-S352 PolarHBondContact OD2-OG 3.39Å; D321-R355 IonicContact OD1-CZ 3.68Å; D321-R355 IonicContact OD1-NH1 3.2Å; D321-R355 PolarHBondContact OD1-NH1 3.08Å; D321-R355 IonicContact OD1-NH2 3.53Å; D321-R355 PolarHBondContact OD1-NH2 3.46Å; D321-R355 IonicContact OD2-CZ 2.85Å; D321-R355 IonicContact OD2-NH1 3.67Å; D321-R355 PolarHBondContact OD2-NH1 3.09Å; D321-R355 IonicContact OD2-NH2 2.85Å
322	Y	83.8	Confident	81.5	Confident	35 Å²	35	57 Å²	57	14%	0.137	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-36.7	176.7	-61.5	-49.2	0	0	0	112.5	N267 V268 P319 L325 I326	N267-Y322 HydrophobicContact CB-CE2 3.83Å; N267-Y322 PolarHBondContact ND2-OH 3.41Å; N267-Y322 VanDerWaalsContact ND2-OH 3.13Å; V268-Y322 HydrophobicContact CG2-CE2 4.29Å; P319-Y322 HydrophobicContact CB-CD2 3.79Å; P319-Y322 HydrophobicContact CB-CG 4.47Å; P319-Y322 PolarHBondContact O-N 3.13Å; Y322-L325 HydrophobicContact CD1-CD1 4.32Å; Y322-L325 PolarHBondContact O-N 2.86Å; Y322-I326 WeakPolarHBondContact O-CB 3.47Å; Y322-I326 WeakPolarHBondContact O-CD1 3.47Å; Y322-I326 VanDerWaalsContact O-CG1 3.23Å; Y322-I326 WeakPolarHBondContact O-CG1 3.32Å; Y322-I326 PolarHBondContact O-N 3.32Å
323	I	84.9	Confident	80.1	Confident	88 Å²	88	59.5 Å²	59.5	45%	0.451	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-45	174.8	-68	168	0	0	0	110.3	I318 P319 L325 I326 V327	I318-I323 HydrophobicContact CG2-CD1 3.57Å; P319-I323 HydrophobicContact CG-CD1 4.43Å; P319-I323 WeakPolarHBondContact O-CG1 3.45Å; P319-I323 PolarHBondContact O-N 3.31Å; I323-L325 PolarHBondContact O-N 2.87Å; I323-I326 PolarHBondContact O-N 2.99Å; I323-V327 HydrophobicContact CG2-CG2 4.41Å; I323-V327 WeakPolarHBondContact O-CG2 3.11Å; I323-V327 PolarHBondContact O-N 2.97Å
324	F	80.7	Confident	78.6	Confident	57 Å²	57	66.2 Å²	66.2	25%	0.25	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-41.7	177.6	-175.1	-101.3	0	0	0	112.3	V320 D321 V327 E328 I344 F347 T348 L351	V320-F324 VanDerWaalsContact O-CB 3.25Å; V320-F324 WeakPolarHBondContact O-CB 3.4Å; V320-F324 PolarHBondContact O-N 3.34Å; D321-F324 PolarHBondContact O-N 3.01Å; F324-V327 PolarHBondContact O-N 3.31Å; F324-E328 PolarHBondContact O-N 3.35Å; F324-I344 HydrophobicContact CE1-CG2 4.19Å; F324-F347 HydrophobicContact CE1-CD1 4.03Å; F324-F347 HydrophobicContact CE2-CE1 4.4Å; F324-F347 AromaticContact CZ-CD1 3.95Å; F324-F347 HydrophobicContact CZ-CD1 3.95Å; F324-F347 HydrophobicContact CZ-CE1 4.26Å; F324-T348 HydrophobicContact CD1-CG2 3.69Å; F324-T348 HydrophobicContact CE1-CG2 4.24Å; F324-L351 HydrophobicContact CB-CD1 4.09Å; F324-L351 HydrophobicContact CD1-CD1 4.19Å; F324-L351 HydrophobicContact CD2-CD1 4.39Å; F324-L351 HydrophobicContact CG-CD1 3.97Å
325	L	77.6	Confident	76.9	Confident	42 Å²	42	67 Å²	67	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-42.3	173.3	-74.5	167.8	0	0	0	112.6	D321 Y322 I323 V327 T329 T348	D321-L325 WeakPolarHBondContact O-CG 3.43Å; D321-L325 PolarHBondContact O-N 2.92Å; Y322-L325 HydrophobicContact CD1-CD1 4.32Å; Y322-L325 PolarHBondContact O-N 2.86Å; I323-L325 PolarHBondContact O-N 2.87Å; L325-V327 VanDerWaalsContact C-N 3.33Å; L325-T329 WeakPolarHBondContact O-CB 3.23Å; L325-T329 VanDerWaalsContact O-CG2 3.29Å; L325-T329 WeakPolarHBondContact O-CG2 3.4Å; L325-T329 PolarHBondContact O-N 2.95Å; L325-T329 VanDerWaalsContact O-N 3.07Å; L325-T329 PolarHBondContact O-OG1 2.86Å; L325-T348 HydrophobicContact CD2-CG2 4.01Å; L325-T348 HydrophobicContact CG-CG2 3.96Å
326	I	82.1	Confident	75.3	Confident	102 Å²	102	70 Å²	70	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-68.2	-32.1	177.2	-68.6	164.5	0	0	0	111.6	Y322 I323 T329 R330	Y322-I326 WeakPolarHBondContact O-CB 3.47Å; Y322-I326 WeakPolarHBondContact O-CD1 3.47Å; Y322-I326 VanDerWaalsContact O-CG1 3.23Å; Y322-I326 WeakPolarHBondContact O-CG1 3.32Å; Y322-I326 PolarHBondContact O-N 3.32Å; I323-I326 PolarHBondContact O-N 2.99Å; I326-T329 WeakPolarHBondContact CA-OG1 3.11Å; I326-T329 PolarHBondContact O-OG1 3.44Å; I326-R330 WeakPolarHBondContact O-CB 3.21Å; I326-R330 WeakPolarHBondContact O-CG 3.42Å; I326-R330 PolarHBondContact O-N 2.88Å
327	V	81.6	Confident	73.8	Confident	70 Å²	70	77.9 Å²	77.9	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-74.5	-48.1	176.4	169.4	0	0	0	0	111.3	I323 F324 L325 T329 R330 I331	I323-V327 HydrophobicContact CG2-CG2 4.41Å; I323-V327 WeakPolarHBondContact O-CG2 3.11Å; I323-V327 PolarHBondContact O-N 2.97Å; F324-V327 PolarHBondContact O-N 3.31Å; L325-V327 VanDerWaalsContact C-N 3.33Å; V327-T329 PolarHBondContact O-N 3.08Å; V327-R330 PolarHBondContact O-N 2.96Å; V327-I331 HydrophobicContact CG1-CD1 3.61Å; V327-I331 HydrophobicContact CG1-CG1 4.49Å; V327-I331 WeakPolarHBondContact O-CG1 3.21Å; V327-I331 PolarHBondContact O-N 3.43Å; V327-I331 VanDerWaalsContact O-N 3.15Å
328	E	72.3	Confident	72.4	Confident	28 Å²	28	83 Å²	83	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-43.5	179.8	-166.8	78.9	167	0	0	111.3	F324 R330 I331 D332 R340 I344	F324-E328 PolarHBondContact O-N 3.35Å; E328-R330 PolarHBondContact O-N 3.31Å; E328-R330 VanDerWaalsContact O-N 3.13Å; E328-I331 PolarHBondContact O-N 2.95Å; E328-I331 VanDerWaalsContact O-N 3.13Å; E328-D332 PolarHBondContact O-N 3.44Å; E328-D332 VanDerWaalsContact O-N 3.12Å; E328-R340 IonicContact OE1-CZ 2.65Å; E328-R340 IonicContact OE1-NE 3.82Å; E328-R340 IonicContact OE1-NH2 2.92Å; E328-R340 PolarHBondContact OE1-NH2 2.65Å; E328-R340 IonicContact OE2-NH2 3.86Å; E328-I344 HydrophobicContact CG-CD1 4.28Å; E328-I344 WeakPolarHBondContact OE1-CD1 3.27Å
329	T	72.7	Confident	70.9	Confident	78 Å²	78	84.7 Å²	84.7	48%	0.479	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-14.7	174.5	51.1	0	0	0	0	114.4	L325 I326 V327 Y336	L325-T329 WeakPolarHBondContact O-CB 3.23Å; L325-T329 VanDerWaalsContact O-CG2 3.29Å; L325-T329 WeakPolarHBondContact O-CG2 3.4Å; L325-T329 PolarHBondContact O-N 2.95Å; L325-T329 VanDerWaalsContact O-N 3.07Å; L325-T329 PolarHBondContact O-OG1 2.86Å; I326-T329 WeakPolarHBondContact CA-OG1 3.11Å; I326-T329 PolarHBondContact O-OG1 3.44Å; V327-T329 PolarHBondContact O-N 3.08Å; T329-Y336 VanDerWaalsContact CG2-OH 3.27Å; T329-Y336 WeakPolarHBondContact CG2-OH 3.39Å
330	R	73.2	Confident	69.8	Low	206 Å²	206	87 Å²	87	78%	0.777	44%	0.441	S	S	*	.	H	α-helix	trans	-101.6	-9.5	177.1	-70.1	-77.9	-78.4	-86.4	0.4	113.6	I326 V327 E328	I326-R330 WeakPolarHBondContact O-CB 3.21Å; I326-R330 WeakPolarHBondContact O-CG 3.42Å; I326-R330 PolarHBondContact O-N 2.88Å; V327-R330 PolarHBondContact O-N 2.96Å; E328-R330 PolarHBondContact O-N 3.31Å; E328-R330 VanDerWaalsContact O-N 3.13Å
331	I	69.9	Low	68.8	Low	117 Å²	117	86 Å²	86	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-104.5	-40	-179	-70.2	174.6	0	0	0	112	V327 E328	V327-I331 HydrophobicContact CG1-CD1 3.61Å; V327-I331 HydrophobicContact CG1-CG1 4.49Å; V327-I331 WeakPolarHBondContact O-CG1 3.21Å; V327-I331 PolarHBondContact O-N 3.43Å; V327-I331 VanDerWaalsContact O-N 3.15Å; E328-I331 PolarHBondContact O-N 2.95Å; E328-I331 VanDerWaalsContact O-N 3.13Å
332	D	58.1	Low	67.9	Low	38 Å²	38	90.5 Å²	90.5	20%	0.203	46%	0.461	C	S	.	.			trans	-133.4	66.6	-160.6	-112.2	-20.4	0	0	0	113.1	E328 D334 F335 R340	E328-D332 PolarHBondContact O-N 3.44Å; E328-D332 VanDerWaalsContact O-N 3.12Å; D332-D334 VanDerWaalsContact C-N 3.28Å; D332-D334 PolarHBondContact O-N 3.43Å; D332-F335 HydrophobicContact CB-CB 3.75Å; D332-F335 VanDerWaalsContact CG-CB 3.49Å; D332-F335 PolarHBondContact O-N 2.79Å; D332-F335 VanDerWaalsContact OD1-CD2 3.26Å; D332-F335 WeakPolarHBondContact OD1-CD2 3.2Å; D332-R340 IonicContact OD2-CZ 3.56Å; D332-R340 IonicContact OD2-NH1 3.46Å; D332-R340 PolarHBondContact OD2-NH1 3.47Å; D332-R340 IonicContact OD2-NH2 3.55Å; D332-R340 PolarHBondContact OD2-NH2 3.46Å
333	S	59.1	Low	67.1	Low	101 Å²	101	98.1 Å²	98.1	71%	0.706	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31	-179.1	-168.1	0	0	0	0	114
334	D	57.8	Low	66.4	Low	142 Å²	142	95.5 Å²	95.5	76%	0.759	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-4.2	-176.2	-66.9	-50.9	0	0	0	114.1	D332	D332-D334 VanDerWaalsContact C-N 3.28Å; D332-D334 PolarHBondContact O-N 3.43Å
335	F	55.4	Low	65.9	Low	107 Å²	107	95.8 Å²	95.8	47%	0.469	48%	0.483	S	S	.	.			trans	-91.2	5.1	-170.6	-126.9	-67.7	0	0	0	114.3	D332 K337 R340	D332-F335 HydrophobicContact CB-CB 3.75Å; D332-F335 VanDerWaalsContact CG-CB 3.49Å; D332-F335 PolarHBondContact O-N 2.79Å; D332-F335 VanDerWaalsContact OD1-CD2 3.26Å; D332-F335 WeakPolarHBondContact OD1-CD2 3.2Å; F335-K337 PolarHBondContact O-N 3.37Å; F335-R340 VanDerWaalsContact CD1-CD 3.45Å; F335-R340 VanDerWaalsContact CD2-NH1 3.32Å
336	Y	55.8	Low	65.7	Low	125 Å²	125	96.7 Å²	96.7	49%	0.49	48%	0.483	S	S	.	.			trans	-69.4	28.3	175.1	-75.5	-83.3	0	0	0	114.7	T329 T338 A341	T329-Y336 VanDerWaalsContact CG2-OH 3.27Å; T329-Y336 WeakPolarHBondContact CG2-OH 3.39Å; Y336-T338 PolarHBondContact O-N 2.81Å; Y336-A341 HydrophobicContact CD1-CB 4.41Å
337	K	56.2	Low	65.4	Low	167 Å²	167	96.8 Å²	96.8	73%	0.726	48%	0.48	S	S	*	.			trans	-74.6	67.9	172	-67	178.9	-177.2	172	0	110.8	F335 A339	F335-K337 PolarHBondContact O-N 3.37Å; K337-A339 VanDerWaalsContact C-N 3.29Å; K337-A339 PolarHBondContact O-N 3.33Å
338	T	58.4	Low	65.2	Low	110 Å²	110	93.8 Å²	93.8	68%	0.675	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	-59	160.7	52.8	0	0	0	0	118.7	Y336 A341 L342	Y336-T338 PolarHBondContact O-N 2.81Å; T338-A341 PolarHBondContact O-N 3.33Å; T338-L342 PolarHBondContact O-N 3.28Å
339	A	58.4	Low	65.4	Low	73 Å²	73	93.3 Å²	93.3	60%	0.603	46%	0.459	S	S	*	.	H	α-helix	trans	-68.5	-37.8	-176.9	0	0	0	0	0	113.9	K337	K337-A339 VanDerWaalsContact C-N 3.29Å; K337-A339 PolarHBondContact O-N 3.33Å
340	R	62.5	Low	65.8	Low	88 Å²	88	93.7 Å²	93.7	33%	0.332	46%	0.457	S	S	.	.	H	α-helix	trans	-70.9	-41.4	174.5	-172.5	-177.3	160.4	-170	-14.9	110.8	E328 D332 F335 L342 R343 I344	E328-R340 IonicContact OE1-CZ 2.65Å; E328-R340 IonicContact OE1-NE 3.82Å; E328-R340 IonicContact OE1-NH2 2.92Å; E328-R340 PolarHBondContact OE1-NH2 2.65Å; E328-R340 IonicContact OE2-NH2 3.86Å; D332-R340 IonicContact OD2-CZ 3.56Å; D332-R340 IonicContact OD2-NH1 3.46Å; D332-R340 PolarHBondContact OD2-NH1 3.47Å; D332-R340 IonicContact OD2-NH2 3.55Å; D332-R340 PolarHBondContact OD2-NH2 3.46Å; F335-R340 VanDerWaalsContact CD1-CD 3.45Å; F335-R340 VanDerWaalsContact CD2-NH1 3.32Å; R340-L342 PolarHBondContact O-N 2.83Å; R340-R343 PolarHBondContact O-N 2.87Å; R340-I344 HydrophobicContact CG-CD1 3.79Å; R340-I344 WeakPolarHBondContact O-CG1 3.49Å; R340-I344 PolarHBondContact O-N 3.46Å
341	A	61.9	Low	66.2	Low	22 Å²	22	85.2 Å²	85.2	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-45.2	-178.9	0	0	0	0	0	113.2	Y336 T338 R343 I344 V345	Y336-A341 HydrophobicContact CD1-CB 4.41Å; T338-A341 PolarHBondContact O-N 3.33Å; A341-R343 VanDerWaalsContact C-N 3.25Å; A341-R343 PolarHBondContact O-N 3.28Å; A341-I344 WeakPolarHBondContact O-CB 3.28Å; A341-I344 PolarHBondContact O-N 3.45Å; A341-I344 VanDerWaalsContact O-N 3.14Å; A341-V345 WeakPolarHBondContact O-CG2 3.33Å; A341-V345 PolarHBondContact O-N 3.35Å
342	L	64.5	Low	66.6	Low	104 Å²	104	79.8 Å²	79.8	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-62.9	-30.3	177.5	-71.8	173.3	0	0	0	113.3	T338 R340 R346	T338-L342 PolarHBondContact O-N 3.28Å; R340-L342 PolarHBondContact O-N 2.83Å; L342-R346 WeakPolarHBondContact O-CG 3.24Å; L342-R346 PolarHBondContact O-N 2.94Å; L342-R346 PolarHBondContact O-NE 2.92Å
343	R	65.7	Low	67.7	Low	195 Å²	195	80.1 Å²	80.1	74%	0.736	40%	0.401	S	S	*	.	H	α-helix	trans	-75.4	-37	174.8	-166.4	179.5	-63	166.2	1.8	111.6	R340 A341 R346 F347	R340-R343 PolarHBondContact O-N 2.87Å; A341-R343 VanDerWaalsContact C-N 3.25Å; A341-R343 PolarHBondContact O-N 3.28Å; R343-R346 PolarHBondContact O-N 3.13Å; R343-F347 PolarHBondContact O-N 3.4Å
344	I	71.3	Confident	68.9	Low	34 Å²	34	78.2 Å²	78.2	17%	0.174	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-46.4	173.4	-75.6	162.7	0	0	0	111.1	F324 E328 R340 A341 R346 F347 T348	F324-I344 HydrophobicContact CE1-CG2 4.19Å; E328-I344 HydrophobicContact CG-CD1 4.28Å; E328-I344 WeakPolarHBondContact OE1-CD1 3.27Å; R340-I344 HydrophobicContact CG-CD1 3.79Å; R340-I344 WeakPolarHBondContact O-CG1 3.49Å; R340-I344 PolarHBondContact O-N 3.46Å; A341-I344 WeakPolarHBondContact O-CB 3.28Å; A341-I344 PolarHBondContact O-N 3.45Å; A341-I344 VanDerWaalsContact O-N 3.14Å; I344-R346 VanDerWaalsContact C-N 3.28Å; I344-R346 PolarHBondContact O-N 3.37Å; I344-F347 CarbonylContact O-C 3.59Å; I344-F347 WeakPolarHBondContact O-CA 3.48Å; I344-F347 WeakPolarHBondContact O-CB 3.39Å; I344-F347 PolarHBondContact O-N 3.01Å; I344-T348 PolarHBondContact O-N 3.33Å; I344-T348 PolarHBondContact O-OG1 3.16Å
345	V	69.7	Low	70.2	Confident	63 Å²	63	71.7 Å²	71.7	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-31.5	177.8	173	0	0	0	0	112.6	A341 T348 K349	A341-V345 WeakPolarHBondContact O-CG2 3.33Å; A341-V345 PolarHBondContact O-N 3.35Å; V345-T348 WeakPolarHBondContact CA-OG1 3.39Å; V345-T348 PolarHBondContact O-OG1 3.07Å; V345-K349 WeakPolarHBondContact O-CG 3.47Å; V345-K349 PolarHBondContact O-N 3.23Å
346	R	72.9	Confident	71.6	Confident	61 Å²	61	68.1 Å²	68.1	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-71.2	-34.1	171.1	-69.5	174.7	-141.5	-158.2	1.2	112.1	L342 R343 I344 I350 L410 D412	L342-R346 WeakPolarHBondContact O-CG 3.24Å; L342-R346 PolarHBondContact O-N 2.94Å; L342-R346 PolarHBondContact O-NE 2.92Å; R343-R346 PolarHBondContact O-N 3.13Å; I344-R346 VanDerWaalsContact C-N 3.28Å; I344-R346 PolarHBondContact O-N 3.37Å; R346-I350 WeakPolarHBondContact O-CG1 3.29Å; R346-I350 PolarHBondContact O-N 3.29Å; R346-L410 HydrophobicContact CB-CD2 3.89Å; R346-L410 HydrophobicContact CG-CD2 3.82Å; R346-L410 PolarHBondContact NH1-O 2.86Å; R346-D412 IonicContact CZ-OD1 3.12Å; R346-D412 IonicContact CZ-OD2 3.6Å; R346-D412 IonicContact NH1-OD1 3.85Å; R346-D412 IonicContact NH1-OD2 2.95Å; R346-D412 PolarHBondContact NH1-OD2 2.97Å; R346-D412 IonicContact NH2-OD1 2.7Å; R346-D412 PolarHBondContact NH2-OD1 2.92Å; R346-D412 IonicContact NH2-OD2 3.82Å; R346-D412 PolarHBondContact NH2-OD2 3.39Å
347	F	76.8	Confident	73	Confident	103 Å²	103	65.6 Å²	65.6	45%	0.452	33%	0.328	S	S	.	.	H	α-helix	trans	-71.8	-39.5	177.1	-166.5	-112.9	0	0	0	112.2	F324 R343 I344 K349 I350 L351	F324-F347 HydrophobicContact CE1-CD1 4.03Å; F324-F347 HydrophobicContact CE2-CE1 4.4Å; F324-F347 AromaticContact CZ-CD1 3.95Å; F324-F347 HydrophobicContact CZ-CD1 3.95Å; F324-F347 HydrophobicContact CZ-CE1 4.26Å; R343-F347 PolarHBondContact O-N 3.4Å; I344-F347 CarbonylContact O-C 3.59Å; I344-F347 WeakPolarHBondContact O-CA 3.48Å; I344-F347 WeakPolarHBondContact O-CB 3.39Å; I344-F347 PolarHBondContact O-N 3.01Å; F347-K349 PolarHBondContact O-N 3.37Å; F347-I350 PolarHBondContact O-N 3.24Å; F347-I350 VanDerWaalsContact O-N 3.14Å; F347-L351 HydrophobicContact CD1-CD1 3.79Å; F347-L351 HydrophobicContact CD1-CG 4.2Å; F347-L351 HydrophobicContact CE1-CD1 3.71Å; F347-L351 HydrophobicContact CE1-CD2 4.22Å; F347-L351 HydrophobicContact CE1-CG 4.05Å; F347-L351 HydrophobicContact CZ-CD2 4.29Å; F347-L351 HydrophobicContact CZ-CG 4.45Å; F347-L351 WeakPolarHBondContact O-CG 3.27Å; F347-L351 PolarHBondContact O-N 3.04Å
348	T	76.8	Confident	74.4	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-41	173.8	50.2	0	0	0	0	112.2	F324 L325 I344 V345 I350 L351 S352	F324-T348 HydrophobicContact CD1-CG2 3.69Å; F324-T348 HydrophobicContact CE1-CG2 4.24Å; L325-T348 HydrophobicContact CD2-CG2 4.01Å; L325-T348 HydrophobicContact CG-CG2 3.96Å; I344-T348 PolarHBondContact O-N 3.33Å; I344-T348 PolarHBondContact O-OG1 3.16Å; V345-T348 WeakPolarHBondContact CA-OG1 3.39Å; V345-T348 PolarHBondContact O-OG1 3.07Å; T348-I350 VanDerWaalsContact C-N 3.3Å; T348-I350 PolarHBondContact O-N 3.4Å; T348-L351 PolarHBondContact O-N 2.83Å; T348-S352 WeakPolarHBondContact O-CB 3.33Å; T348-S352 PolarHBondContact O-N 3.31Å
349	K	76.6	Confident	75.6	Confident	18 Å²	18	53.7 Å²	53.7	8%	0.078	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-43.6	171.4	-76.3	176.6	177	-69	0	112	I252 E258 V345 F347 S352 L353 M409 L410	I252-K349 HydrophobicContact CG2-CB 3.93Å; I252-K349 HydrophobicContact CG2-CG 4.13Å; I252-K349 PolarHBondContact O-NZ 3.43Å; E258-K349 IonicContact OE1-NZ 2.73Å; E258-K349 PolarHBondContact OE1-NZ 2.89Å; V345-K349 WeakPolarHBondContact O-CG 3.47Å; V345-K349 PolarHBondContact O-N 3.23Å; F347-K349 PolarHBondContact O-N 3.37Å; K349-S352 PolarHBondContact O-N 3.02Å; K349-L353 PolarHBondContact O-N 2.85Å; K349-M409 HydrophobicContact CD-CE 4.02Å; K349-M409 HydrophobicContact CD-SD 4.2Å; K349-L410 HydrophobicContact CD-CD2 4.4Å
350	I	81.9	Confident	76.8	Confident	85 Å²	85	51.4 Å²	51.4	44%	0.436	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-41.2	177.4	-65.5	165.6	0	0	0	111.7	R346 F347 T348 S352 L353 L410	R346-I350 WeakPolarHBondContact O-CG1 3.29Å; R346-I350 PolarHBondContact O-N 3.29Å; F347-I350 PolarHBondContact O-N 3.24Å; F347-I350 VanDerWaalsContact O-N 3.14Å; T348-I350 VanDerWaalsContact C-N 3.3Å; T348-I350 PolarHBondContact O-N 3.4Å; I350-S352 VanDerWaalsContact C-N 3.3Å; I350-S352 PolarHBondContact O-N 3.48Å; I350-L353 WeakPolarHBondContact O-CB 3.32Å; I350-L353 PolarHBondContact O-N 3.37Å; I350-L410 HydrophobicContact CD1-CD1 4.46Å; I350-L410 HydrophobicContact CG1-CD1 4.43Å
351	L	80.6	Confident	77.7	Confident	28 Å²	28	47.2 Å²	47.2	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-35.9	174.5	-69.4	173.6	0	0	0	112.1	V320 F324 F347 T348 L353 L354	V320-L351 HydrophobicContact CG1-CB 4.44Å; V320-L351 HydrophobicContact CG1-CD1 4.37Å; V320-L351 HydrophobicContact CG1-CD2 4.13Å; F324-L351 HydrophobicContact CB-CD1 4.09Å; F324-L351 HydrophobicContact CD1-CD1 4.19Å; F324-L351 HydrophobicContact CD2-CD1 4.39Å; F324-L351 HydrophobicContact CG-CD1 3.97Å; F347-L351 HydrophobicContact CD1-CD1 3.79Å; F347-L351 HydrophobicContact CD1-CG 4.2Å; F347-L351 HydrophobicContact CE1-CD1 3.71Å; F347-L351 HydrophobicContact CE1-CD2 4.22Å; F347-L351 HydrophobicContact CE1-CG 4.05Å; F347-L351 HydrophobicContact CZ-CD2 4.29Å; F347-L351 HydrophobicContact CZ-CG 4.45Å; F347-L351 WeakPolarHBondContact O-CG 3.27Å; F347-L351 PolarHBondContact O-N 3.04Å; T348-L351 PolarHBondContact O-N 2.83Å; L351-L353 VanDerWaalsContact C-N 3.26Å; L351-L353 PolarHBondContact O-N 3.45Å; L351-L354 HydrophobicContact CD2-CD1 4.12Å; L351-L354 WeakPolarHBondContact O-CB 3.36Å; L351-L354 VanDerWaalsContact O-CG 3.24Å; L351-L354 WeakPolarHBondContact O-CG 3.27Å; L351-L354 PolarHBondContact O-N 3.44Å
352	S	78.7	Confident	78.7	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-29.6	178	-154.2	0	0	0	0	112.5	D321 T348 K349 I350 L354 R355	D321-S352 VanDerWaalsContact OD2-CB 3.3Å; D321-S352 WeakPolarHBondContact OD2-CB 3.31Å; D321-S352 PolarHBondContact OD2-OG 3.39Å; T348-S352 WeakPolarHBondContact O-CB 3.33Å; T348-S352 PolarHBondContact O-N 3.31Å; K349-S352 PolarHBondContact O-N 3.02Å; I350-S352 VanDerWaalsContact C-N 3.3Å; I350-S352 PolarHBondContact O-N 3.48Å; S352-L354 PolarHBondContact O-N 2.94Å; S352-R355 WeakPolarHBondContact O-CB 3.32Å; S352-R355 WeakPolarHBondContact O-CG 3.49Å; S352-R355 PolarHBondContact O-N 3.26Å; S352-R355 VanDerWaalsContact O-N 3.12Å; S352-R355 PolarHBondContact OG-NH1 3.03Å
353	L	81.4	Confident	79.6	Confident	45 Å²	45	44.7 Å²	44.7	24%	0.236	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66	-13.7	172.9	-63.2	169.7	0	0	0	113.7	I252 K349 I350 L351 R355 L356 L406	I252-L353 HydrophobicContact CD1-CD2 3.7Å; I252-L353 HydrophobicContact CD1-CG 4.08Å; I252-L353 HydrophobicContact CG2-CD2 4.46Å; K349-L353 PolarHBondContact O-N 2.85Å; I350-L353 WeakPolarHBondContact O-CB 3.32Å; I350-L353 PolarHBondContact O-N 3.37Å; L351-L353 VanDerWaalsContact C-N 3.26Å; L351-L353 PolarHBondContact O-N 3.45Å; L353-R355 PolarHBondContact O-N 3.37Å; L353-L356 HydrophobicContact CD2-CD1 3.84Å; L353-L356 HydrophobicContact CD2-CG 4.42Å; L353-L356 VanDerWaalsContact O-CB 3.28Å; L353-L356 WeakPolarHBondContact O-CB 3.49Å; L353-L356 WeakPolarHBondContact O-CG 3.29Å; L353-L356 PolarHBondContact O-N 2.96Å; L353-L406 HydrophobicContact CD1-CD2 3.79Å
354	L	84.4	Confident	80.4	Confident	61 Å²	61	38.1 Å²	38.1	32%	0.319	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-61.1	-23.6	170.5	-62.8	173.2	0	0	0	112	I315 V320 L351 S352 L356 L357	I315-L354 HydrophobicContact CG2-CB 4.25Å; I315-L354 HydrophobicContact CG2-CD1 4.31Å; V320-L354 HydrophobicContact CG1-CD1 4.49Å; V320-L354 HydrophobicContact CG2-CD1 4.47Å; L351-L354 HydrophobicContact CD2-CD1 4.12Å; L351-L354 WeakPolarHBondContact O-CB 3.36Å; L351-L354 VanDerWaalsContact O-CG 3.24Å; L351-L354 WeakPolarHBondContact O-CG 3.27Å; L351-L354 PolarHBondContact O-N 3.44Å; S352-L354 PolarHBondContact O-N 2.94Å; L354-L356 PolarHBondContact O-N 2.91Å; L354-L357 HydrophobicContact CD2-CD1 4.36Å; L354-L357 VanDerWaalsContact O-CB 3.29Å; L354-L357 WeakPolarHBondContact O-CB 3.47Å; L354-L357 WeakPolarHBondContact O-CG 3.45Å; L354-L357 PolarHBondContact O-N 3.34Å; L354-L357 VanDerWaalsContact O-N 3.12Å
355	R	85.3	Confident	80.7	Confident	5 Å²	5	37 Å²	37	2%	0.019	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.4	-22	170	-65.2	-171.4	174.9	100.6	7.4	112.8	I248 D271 D321 S352 L353 L357 R358	I248-R355 HydrophobicContact CD1-CB 3.73Å; I248-R355 HydrophobicContact CD1-CG 4.31Å; D271-R355 IonicContact OD1-NE 2.79Å; D271-R355 PolarHBondContact OD1-NE 3.47Å; D271-R355 IonicContact OD2-CZ 3.54Å; D271-R355 VanDerWaalsContact OD2-CZ 3.22Å; D271-R355 IonicContact OD2-NE 3.76Å; D271-R355 PolarHBondContact OD2-NE 3.4Å; D271-R355 IonicContact OD2-NH2 3.97Å; D271-R355 PolarHBondContact OD2-NH2 3.48Å; D321-R355 IonicContact OD1-CZ 3.68Å; D321-R355 IonicContact OD1-NH1 3.2Å; D321-R355 PolarHBondContact OD1-NH1 3.08Å; D321-R355 IonicContact OD1-NH2 3.53Å; D321-R355 PolarHBondContact OD1-NH2 3.46Å; D321-R355 IonicContact OD2-CZ 2.85Å; D321-R355 IonicContact OD2-NH1 3.67Å; D321-R355 PolarHBondContact OD2-NH1 3.09Å; D321-R355 IonicContact OD2-NH2 2.85Å; S352-R355 WeakPolarHBondContact O-CB 3.32Å; S352-R355 WeakPolarHBondContact O-CG 3.49Å; S352-R355 PolarHBondContact O-N 3.26Å; S352-R355 VanDerWaalsContact O-N 3.12Å; S352-R355 PolarHBondContact OG-NH1 3.03Å; L353-R355 PolarHBondContact O-N 3.37Å; R355-L357 PolarHBondContact O-N 3.47Å; R355-R358 VanDerWaalsContact O-CB 3.27Å; R355-R358 WeakPolarHBondContact O-CB 3.42Å; R355-R358 WeakPolarHBondContact O-CD 3.37Å; R355-R358 WeakPolarHBondContact O-CG 3.44Å; R355-R358 PolarHBondContact O-N 2.98Å
356	L	83.2	Confident	81.1	Confident	32 Å²	32	36 Å²	36	17%	0.168	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-69.3	-15.9	176.2	-57.1	-174.7	0	0	0	113.3	L245 I248 P249 L353 L354 R358 L359 W399	L245-L356 HydrophobicContact CD2-CD2 4.09Å; I248-L356 HydrophobicContact CG2-CD2 4.29Å; P249-L356 HydrophobicContact CG-CD2 3.99Å; L353-L356 HydrophobicContact CD2-CD1 3.84Å; L353-L356 HydrophobicContact CD2-CG 4.42Å; L353-L356 VanDerWaalsContact O-CB 3.28Å; L353-L356 WeakPolarHBondContact O-CB 3.49Å; L353-L356 WeakPolarHBondContact O-CG 3.29Å; L353-L356 PolarHBondContact O-N 2.96Å; L354-L356 PolarHBondContact O-N 2.91Å; L356-R358 PolarHBondContact O-N 3.26Å; L356-R358 VanDerWaalsContact O-N 3.08Å; L356-L359 WeakPolarHBondContact O-CB 3.43Å; L356-L359 PolarHBondContact O-N 3.34Å; L356-W399 HydrophobicContact CB-CH2 3.95Å; L356-W399 HydrophobicContact CB-CZ2 4.17Å; L356-W399 HydrophobicContact CD1-CZ2 4.36Å; L356-W399 HydrophobicContact CD2-CZ2 3.89Å; L356-W399 HydrophobicContact CG-CZ2 4.36Å
357	L	86.3	Confident	81.4	Confident	72 Å²	72	38.1 Å²	38.1	38%	0.377	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-60.9	-15.2	170.8	-63.4	174.3	0	0	0	113	V312 I315 L354 R355 L359 S360	V312-L357 HydrophobicContact CG1-CB 4.13Å; I315-L357 HydrophobicContact CG2-CD1 3.89Å; L354-L357 HydrophobicContact CD2-CD1 4.36Å; L354-L357 VanDerWaalsContact O-CB 3.29Å; L354-L357 WeakPolarHBondContact O-CB 3.47Å; L354-L357 WeakPolarHBondContact O-CG 3.45Å; L354-L357 PolarHBondContact O-N 3.34Å; L354-L357 VanDerWaalsContact O-N 3.12Å; R355-L357 PolarHBondContact O-N 3.47Å; L357-L359 PolarHBondContact O-N 3.37Å; L357-S360 WeakPolarHBondContact O-CB 3.39Å; L357-S360 PolarHBondContact O-N 3.11Å; L357-S360 PolarHBondContact O-OG 3.33Å
358	R	85	Confident	81.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-53.8	-26.5	167.2	-68.3	167.2	-165.9	-176.8	-2.1	112.3	M241 N244 L245 D271 F274 S316 R355 L356 S360 R361 L362	M241-R358 HydrophobicContact CG-CB 4.24Å; M241-R358 HydrophobicContact SD-CB 3.99Å; N244-R358 PolarHBondContact OD1-NH1 2.81Å; L245-R358 HydrophobicContact CD2-CB 4.25Å; D271-R358 IonicContact OD1-CZ 2.67Å; D271-R358 VanDerWaalsContact OD1-CZ 3.3Å; D271-R358 IonicContact OD1-NH1 3.73Å; D271-R358 PolarHBondContact OD1-NH1 3.01Å; D271-R358 IonicContact OD1-NH2 3.36Å; D271-R358 PolarHBondContact OD1-NH2 2.89Å; F274-R358 VanDerWaalsContact CD2-NH1 3.3Å; S316-R358 VanDerWaalsContact O-CZ 3.24Å; S316-R358 PolarHBondContact O-NE 3.08Å; S316-R358 PolarHBondContact O-NH2 3.35Å; R355-R358 VanDerWaalsContact O-CB 3.27Å; R355-R358 WeakPolarHBondContact O-CB 3.42Å; R355-R358 WeakPolarHBondContact O-CD 3.37Å; R355-R358 WeakPolarHBondContact O-CG 3.44Å; R355-R358 PolarHBondContact O-N 2.98Å; L356-R358 PolarHBondContact O-N 3.26Å; L356-R358 VanDerWaalsContact O-N 3.08Å; R358-S360 PolarHBondContact O-N 3.39Å; R358-S360 VanDerWaalsContact O-N 3.12Å; R358-R361 WeakPolarHBondContact O-CA 3.48Å; R358-R361 WeakPolarHBondContact O-CB 3.2Å; R358-R361 PolarHBondContact O-N 2.89Å; R358-L362 PolarHBondContact O-N 3.16Å
359	L	82.9	Confident	81.1	Confident	28 Å²	28	37.8 Å²	37.8	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-52.7	-33.1	172.2	176.5	63.1	0	0	0	112.9	L356 L357 R361 L362 I363 M392 L395 W399	L356-L359 WeakPolarHBondContact O-CB 3.43Å; L356-L359 PolarHBondContact O-N 3.34Å; L357-L359 PolarHBondContact O-N 3.37Å; L359-R361 VanDerWaalsContact C-N 3.26Å; L359-R361 PolarHBondContact O-N 3.24Å; L359-L362 HydrophobicContact CD1-CB 4.28Å; L359-L362 HydrophobicContact CD1-CD2 3.97Å; L359-L362 WeakPolarHBondContact O-CB 3.4Å; L359-L362 PolarHBondContact O-N 2.97Å; L359-I363 HydrophobicContact CD1-CD1 4.12Å; L359-I363 HydrophobicContact CD1-CG1 4.13Å; L359-I363 HydrophobicContact CG-CD1 3.93Å; L359-I363 HydrophobicContact CG-CG1 4.4Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 3.1Å; L359-M392 HydrophobicContact CD1-CE 4.12Å; L359-M392 HydrophobicContact CD1-SD 4.17Å; L359-L395 HydrophobicContact CD1-CD2 4.2Å; L359-W399 HydrophobicContact CB-CH2 3.87Å; L359-W399 HydrophobicContact CD2-CH2 3.62Å; L359-W399 HydrophobicContact CD2-CZ3 3.62Å; L359-W399 HydrophobicContact CG-CH2 4.27Å
360	S	83.8	Confident	81.1	Confident	25 Å²	25	38.7 Å²	38.7	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-36	174.6	69.2	0	0	0	0	112.5	V312 L357 R358 R364	V312-S360 WeakPolarHBondContact CG1-OG 3.28Å; L357-S360 WeakPolarHBondContact O-CB 3.39Å; L357-S360 PolarHBondContact O-N 3.11Å; L357-S360 PolarHBondContact O-OG 3.33Å; R358-S360 PolarHBondContact O-N 3.39Å; R358-S360 VanDerWaalsContact O-N 3.12Å; S360-R364 VanDerWaalsContact C-NH1 3.28Å; S360-R364 WeakPolarHBondContact O-CG 3.39Å; S360-R364 PolarHBondContact O-N 3.02Å; S360-R364 PolarHBondContact O-NH1 3.24Å; S360-R364 VanDerWaalsContact O-NH1 3.15Å; S360-R364 PolarHBondContact OG-NH1 3.32Å
361	R	83	Confident	80.8	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-75.9	-37.4	176	-161.1	177.3	-49.6	170	16.3	111.1	M241 F274 D277 D313 S316 S317 R358 L359 I363 R364 Y365	M241-R361 HydrophobicContact CE-CB 4.4Å; M241-R361 HydrophobicContact SD-CB 4.05Å; F274-R361 PolarHBondContact O-NH1 3.32Å; D277-R361 VanDerWaalsContact OD2-CD 3.26Å; D277-R361 WeakPolarHBondContact OD2-CD 3.42Å; D277-R361 IonicContact OD2-CZ 2.73Å; D277-R361 IonicContact OD2-NE 2.67Å; D277-R361 IonicContact OD2-NH1 2.69Å; D277-R361 PolarHBondContact OD2-NH1 2.92Å; D313-R361 PolarHBondContact O-NH2 2.67Å; D313-R361 IonicContact OD1-CZ 2.63Å; D313-R361 VanDerWaalsContact OD1-CZ 3.29Å; D313-R361 IonicContact OD1-NE 3.52Å; D313-R361 PolarHBondContact OD1-NE 3.08Å; D313-R361 IonicContact OD1-NH2 3.2Å; D313-R361 PolarHBondContact OD1-NH2 3.42Å; S316-R361 PolarHBondContact OG-NH2 3.48Å; S316-R361 VanDerWaalsContact OG-NH2 3.11Å; S317-R361 PolarHBondContact OG-NH2 2.81Å; S317-R361 VanDerWaalsContact OG-NH2 3.13Å; R358-R361 WeakPolarHBondContact O-CA 3.48Å; R358-R361 WeakPolarHBondContact O-CB 3.2Å; R358-R361 PolarHBondContact O-N 2.89Å; L359-R361 VanDerWaalsContact C-N 3.26Å; L359-R361 PolarHBondContact O-N 3.24Å; R361-I363 PolarHBondContact O-N 3Å; R361-R364 PolarHBondContact O-N 3.41Å; R361-Y365 HydrophobicContact CG-CD2 4.48Å; R361-Y365 HydrophobicContact CG-CE1 4.17Å; R361-Y365 HydrophobicContact CG-CE2 3.89Å; R361-Y365 PolarHBondContact O-N 2.74Å
362	L	81.9	Confident	80.3	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-57.3	-48.5	173.1	-148.5	-27.6	0	0	0	111.2	L238 M241 L245 R358 L359 R364 Y365 I366 L395	L238-L362 HydrophobicContact CD1-CD1 3.41Å; L238-L362 VanDerWaalsContact CD1-CD1 3.41Å; M241-L362 VanDerWaalsContact CE-CA 3.48Å; M241-L362 HydrophobicContact CE-CB 3.86Å; M241-L362 HydrophobicContact CE-CD1 4.47Å; M241-L362 HydrophobicContact CE-CG 4.08Å; M241-L362 HydrophobicContact CG-CB 4.23Å; M241-L362 HydrophobicContact CG-CG 4.15Å; M241-L362 HydrophobicContact SD-CB 3.81Å; M241-L362 HydrophobicContact SD-CG 4.29Å; M241-L362 PolarHBondContact SD-N 2.98Å; L245-L362 HydrophobicContact CD1-CB 4.35Å; L245-L362 HydrophobicContact CD1-CD2 3.73Å; L245-L362 HydrophobicContact CD1-CG 4.14Å; R358-L362 PolarHBondContact O-N 3.16Å; L359-L362 HydrophobicContact CD1-CB 4.28Å; L359-L362 HydrophobicContact CD1-CD2 3.97Å; L359-L362 WeakPolarHBondContact O-CB 3.4Å; L359-L362 PolarHBondContact O-N 2.97Å; L362-R364 PolarHBondContact O-N 3.41Å; L362-Y365 PolarHBondContact O-N 3.03Å; L362-I366 HydrophobicContact CD1-CD1 3.46Å; L362-I366 VanDerWaalsContact CD1-CD1 3.46Å; L362-I366 HydrophobicContact CD1-CG1 3.71Å; L362-I366 WeakPolarHBondContact O-CB 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.43Å; L362-I366 PolarHBondContact O-N 3.46Å; L362-L395 HydrophobicContact CD2-CD2 4.37Å
363	I	83.1	Confident	79.8	Confident	66 Å²	66	43.8 Å²	43.8	34%	0.338	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-42.6	178.9	-68.4	165.6	0	0	0	111.4	L359 R361 I366 H367 M392	L359-I363 HydrophobicContact CD1-CD1 4.12Å; L359-I363 HydrophobicContact CD1-CG1 4.13Å; L359-I363 HydrophobicContact CG-CD1 3.93Å; L359-I363 HydrophobicContact CG-CG1 4.4Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 3.1Å; R361-I363 PolarHBondContact O-N 3Å; I363-I366 PolarHBondContact O-N 3.13Å; I363-H367 PolarHBondContact O-CD2 2.78Å; I363-H367 PolarHBondContact O-N 3.32Å; I363-M392 HydrophobicContact CG1-CE 4.05Å
364	R	81.9	Confident	79.3	Confident	57 Å²	57	45.7 Å²	45.7	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-46.4	176.1	-69.8	-173.5	-45.6	-96.9	12.8	112	D313 S360 R361 L362 Q368	D313-R364 IonicContact OD1-CZ 2.71Å; D313-R364 IonicContact OD1-NH1 3.16Å; D313-R364 IonicContact OD1-NH2 3.67Å; D313-R364 PolarHBondContact OD1-NH2 3.34Å; D313-R364 IonicContact OD2-CZ 3.18Å; D313-R364 IonicContact OD2-NH2 2.99Å; D313-R364 PolarHBondContact OD2-NH2 3.27Å; S360-R364 VanDerWaalsContact C-NH1 3.28Å; S360-R364 WeakPolarHBondContact O-CG 3.39Å; S360-R364 PolarHBondContact O-N 3.02Å; S360-R364 PolarHBondContact O-NH1 3.24Å; S360-R364 VanDerWaalsContact O-NH1 3.15Å; S360-R364 PolarHBondContact OG-NH1 3.32Å; R361-R364 PolarHBondContact O-N 3.41Å; L362-R364 PolarHBondContact O-N 3.41Å; R364-Q368 WeakPolarHBondContact O-CB 3.49Å; R364-Q368 PolarHBondContact O-N 3.34Å
365	Y	77.8	Confident	78.3	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-48.3	174.8	-65.9	-19.4	0	0	0	111.2	M237 M241 D277 R361 L362 H367 Q368 W369	M237-Y365 HydrophobicContact CB-CE2 4.01Å; M241-Y365 HydrophobicContact CE-CD2 3.54Å; M241-Y365 HydrophobicContact CE-CE2 3.75Å; D277-Y365 PolarHBondContact OD1-OH 3.42Å; D277-Y365 PolarHBondContact OD2-OH 3.15Å; R361-Y365 HydrophobicContact CG-CD2 4.48Å; R361-Y365 HydrophobicContact CG-CE1 4.17Å; R361-Y365 HydrophobicContact CG-CE2 3.89Å; R361-Y365 PolarHBondContact O-N 2.74Å; L362-Y365 PolarHBondContact O-N 3.03Å; Y365-H367 VanDerWaalsContact C-N 3.32Å; Y365-H367 PolarHBondContact O-N 2.68Å; Y365-Q368 PolarHBondContact O-N 3.15Å; Y365-Q368 VanDerWaalsContact O-N 3.17Å; Y365-W369 WeakPolarHBondContact O-CB 3.25Å; Y365-W369 PolarHBondContact O-N 2.99Å
366	I	78.9	Confident	77.4	Confident	42 Å²	42	49 Å²	49	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-44.8	180	-79.8	-179.6	0	0	0	111.9	L362 I363 W369 E370 N388	L362-I366 HydrophobicContact CD1-CD1 3.46Å; L362-I366 VanDerWaalsContact CD1-CD1 3.46Å; L362-I366 HydrophobicContact CD1-CG1 3.71Å; L362-I366 WeakPolarHBondContact O-CB 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.43Å; L362-I366 PolarHBondContact O-N 3.46Å; I363-I366 PolarHBondContact O-N 3.13Å; I366-W369 PolarHBondContact O-N 3.09Å; I366-E370 VanDerWaalsContact O-CB 3.26Å; I366-E370 WeakPolarHBondContact O-CB 3.4Å; I366-E370 PolarHBondContact O-N 2.97Å; I366-N388 WeakPolarHBondContact CG2-ND2 3.42Å; I366-N388 WeakPolarHBondContact CG2-OD1 3.2Å
367	H	79.3	Confident	76.7	Confident	107 Å²	107	54.2 Å²	54.2	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-68.8	-41.2	176.9	-75.1	-48.6	0	0	0	113.4	I363 Y365 W369 E370 E371	I363-H367 PolarHBondContact O-CD2 2.78Å; I363-H367 PolarHBondContact O-N 3.32Å; Y365-H367 VanDerWaalsContact C-N 3.32Å; Y365-H367 PolarHBondContact O-N 2.68Å; H367-W369 VanDerWaalsContact C-N 3.3Å; H367-W369 PolarHBondContact O-N 2.68Å; H367-E370 IonicContact CE1-OE2 3.4Å; H367-E370 IonicContact ND1-OE2 3.56Å; H367-E370 PolarHBondContact ND1-OE2 2.91Å; H367-E370 PolarHBondContact O-N 3.49Å; H367-E371 PolarHBondContact O-N 3.43Å
368	Q	74.6	Confident	75.7	Confident	68 Å²	68	56.5 Å²	56.5	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-39.5	176.3	-174.6	179.1	-5.2	0	0	111.6	R364 Y365 I372	R364-Q368 WeakPolarHBondContact O-CB 3.49Å; R364-Q368 PolarHBondContact O-N 3.34Å; Y365-Q368 PolarHBondContact O-N 3.15Å; Y365-Q368 VanDerWaalsContact O-N 3.17Å; Q368-I372 HydrophobicContact CG-CD1 4.2Å; Q368-I372 WeakPolarHBondContact O-CD1 3.46Å; Q368-I372 VanDerWaalsContact O-CG1 3.24Å; Q368-I372 WeakPolarHBondContact O-CG1 3.47Å; Q368-I372 PolarHBondContact O-N 3.47Å; Q368-I372 VanDerWaalsContact O-N 3.12Å
369	W	73.4	Confident	74.4	Confident	36 Å²	36	62.4 Å²	62.4	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-71.9	-36.2	174.1	-78.1	72.7	0	0	0	112.1	F231 D234 L235 Y365 I366 H367 I372 F373	F231-W369 HydrophobicContact CD1-CH2 4.42Å; F231-W369 AromaticContact CD2-CH2 3.62Å; F231-W369 HydrophobicContact CD2-CH2 3.62Å; F231-W369 HydrophobicContact CD2-CZ2 4.18Å; F231-W369 HydrophobicContact CD2-CZ3 4.19Å; F231-W369 HydrophobicContact CE1-CH2 4.08Å; F231-W369 HydrophobicContact CE2-CE3 4.49Å; F231-W369 AromaticContact CE2-CH2 3.22Å; F231-W369 HydrophobicContact CE2-CH2 3.22Å; F231-W369 HydrophobicContact CE2-CZ2 4.18Å; F231-W369 AromaticContact CE2-CZ3 3.4Å; F231-W369 HydrophobicContact CE2-CZ3 3.4Å; F231-W369 VanDerWaalsContact CE2-CZ3 3.4Å; F231-W369 HydrophobicContact CG-CH2 4.21Å; F231-W369 AromaticContact CZ-CH2 3.47Å; F231-W369 HydrophobicContact CZ-CH2 3.47Å; F231-W369 VanDerWaalsContact CZ-CH2 3.47Å; F231-W369 AromaticContact CZ-CZ3 3.69Å; F231-W369 HydrophobicContact CZ-CZ3 3.69Å; D234-W369 HydrophobicContact CB-CZ2 4.34Å; L235-W369 HydrophobicContact CB-CH2 4.43Å; L235-W369 HydrophobicContact CB-CZ2 4.48Å; Y365-W369 WeakPolarHBondContact O-CB 3.25Å; Y365-W369 PolarHBondContact O-N 2.99Å; I366-W369 PolarHBondContact O-N 3.09Å; H367-W369 VanDerWaalsContact C-N 3.3Å; H367-W369 PolarHBondContact O-N 2.68Å; W369-I372 PolarHBondContact O-N 2.81Å; W369-F373 HydrophobicContact CB-CD2 4.39Å; W369-F373 HydrophobicContact CB-CE2 4.35Å; W369-F373 AromaticContact CE3-CE2 3.66Å; W369-F373 HydrophobicContact CE3-CE2 3.66Å; W369-F373 AromaticContact CE3-CZ 3.78Å; W369-F373 HydrophobicContact CE3-CZ 3.78Å; W369-F373 HydrophobicContact CZ3-CE2 4.4Å; W369-F373 HydrophobicContact CZ3-CZ 4.09Å; W369-F373 WeakPolarHBondContact O-CB 3.29Å; W369-F373 WeakPolarHBondContact O-CD2 3.44Å; W369-F373 WeakPolarHBondContact O-CG 3.32Å; W369-F373 PolarHBondContact O-N 3.25Å
370	E	75.5	Confident	73.6	Confident	37 Å²	37	63.1 Å²	63.1	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-42.5	173.2	-174.9	172.8	-156	0	0	111.2	I366 H367 F373 H374	I366-E370 VanDerWaalsContact O-CB 3.26Å; I366-E370 WeakPolarHBondContact O-CB 3.4Å; I366-E370 PolarHBondContact O-N 2.97Å; H367-E370 IonicContact CE1-OE2 3.4Å; H367-E370 IonicContact ND1-OE2 3.56Å; H367-E370 PolarHBondContact ND1-OE2 2.91Å; H367-E370 PolarHBondContact O-N 3.49Å; E370-F373 PolarHBondContact O-N 2.87Å; E370-H374 VanDerWaalsContact O-CB 3.3Å; E370-H374 WeakPolarHBondContact O-CB 3.35Å; E370-H374 PolarHBondContact O-N 3.31Å
371	E	74.8	Confident	73.1	Confident	91 Å²	91	63 Å²	63	43%	0.425	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-48.7	174	-173.8	178.5	-163.7	0	0	112	H367 F373 H374 M375	H367-E371 PolarHBondContact O-N 3.43Å; E371-F373 VanDerWaalsContact C-N 3.34Å; E371-F373 PolarHBondContact O-N 2.86Å; E371-H374 PolarHBondContact O-N 3.01Å; E371-M375 WeakPolarHBondContact O-CG 3.29Å; E371-M375 PolarHBondContact O-N 3.49Å
372	I	70.5	Confident	72.8	Confident	54 Å²	54	64.2 Å²	64.2	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-41.5	177.7	-67.7	163.7	0	0	0	111.3	F192 Q368 W369 M375 T376	F192-I372 HydrophobicContact CD2-CG2 4.41Å; F192-I372 HydrophobicContact CE2-CB 4.43Å; F192-I372 HydrophobicContact CE2-CG1 4.11Å; F192-I372 HydrophobicContact CE2-CG2 4.25Å; F192-I372 HydrophobicContact CZ-CG1 4.23Å; Q368-I372 HydrophobicContact CG-CD1 4.2Å; Q368-I372 WeakPolarHBondContact O-CD1 3.46Å; Q368-I372 VanDerWaalsContact O-CG1 3.24Å; Q368-I372 WeakPolarHBondContact O-CG1 3.47Å; Q368-I372 PolarHBondContact O-N 3.47Å; Q368-I372 VanDerWaalsContact O-N 3.12Å; W369-I372 PolarHBondContact O-N 2.81Å; I372-M375 PolarHBondContact O-N 3.46Å; I372-T376 WeakPolarHBondContact O-CB 3.41Å; I372-T376 PolarHBondContact O-N 3.02Å; I372-T376 PolarHBondContact O-OG1 3.03Å
373	F	69.4	Low	72.7	Confident	78 Å²	78	67.9 Å²	67.9	34%	0.342	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-39.4	175.1	-76.3	-51.6	0	0	0	112.1	W369 E370 E371 M375 T376 Y377	W369-F373 HydrophobicContact CB-CD2 4.39Å; W369-F373 HydrophobicContact CB-CE2 4.35Å; W369-F373 AromaticContact CE3-CE2 3.66Å; W369-F373 HydrophobicContact CE3-CE2 3.66Å; W369-F373 AromaticContact CE3-CZ 3.78Å; W369-F373 HydrophobicContact CE3-CZ 3.78Å; W369-F373 HydrophobicContact CZ3-CE2 4.4Å; W369-F373 HydrophobicContact CZ3-CZ 4.09Å; W369-F373 WeakPolarHBondContact O-CB 3.29Å; W369-F373 WeakPolarHBondContact O-CD2 3.44Å; W369-F373 WeakPolarHBondContact O-CG 3.32Å; W369-F373 PolarHBondContact O-N 3.25Å; E370-F373 PolarHBondContact O-N 2.87Å; E371-F373 VanDerWaalsContact C-N 3.34Å; E371-F373 PolarHBondContact O-N 2.86Å; F373-M375 VanDerWaalsContact C-N 3.3Å; F373-M375 PolarHBondContact O-N 2.87Å; F373-T376 CarbonylContact O-C 3.5Å; F373-T376 PolarHBondContact O-N 3.07Å; F373-Y377 AromaticContact CD1-CD2 3.99Å; F373-Y377 HydrophobicContact CD1-CD2 3.99Å; F373-Y377 HydrophobicContact CD1-CE2 4.21Å; F373-Y377 PolarHBondContact O-N 3.24Å
374	H	69.9	Low	72.6	Confident	84 Å²	84	67.2 Å²	67.2	39%	0.389	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-37.9	175.3	-164.2	-27.2	0	0	0	111.7	E370 E371 T376 D378 S381	E370-H374 VanDerWaalsContact O-CB 3.3Å; E370-H374 WeakPolarHBondContact O-CB 3.35Å; E370-H374 PolarHBondContact O-N 3.31Å; E371-H374 PolarHBondContact O-N 3.01Å; H374-T376 PolarHBondContact O-N 2.94Å; H374-D378 IonicContact CE1-OD1 2.7Å; H374-D378 PolarHBondContact CE1-OD1 3.08Å; H374-D378 VanDerWaalsContact CE1-OD1 3.31Å; H374-D378 IonicContact ND1-OD1 2.68Å; H374-S381 PolarHBondContact CD2-OG 3.48Å
375	M	63.3	Low	72.7	Confident	78 Å²	78	69.1 Å²	69.1	38%	0.384	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.9	174.7	-67.9	-62.4	168.2	0	0	114.2	F192 R195 E371 I372 F373	F192-M375 HydrophobicContact CE2-CB 4.29Å; R195-M375 PolarHBondContact NH1-O 2.96Å; E371-M375 WeakPolarHBondContact O-CG 3.29Å; E371-M375 PolarHBondContact O-N 3.49Å; I372-M375 PolarHBondContact O-N 3.46Å; F373-M375 VanDerWaalsContact C-N 3.3Å; F373-M375 PolarHBondContact O-N 2.87Å
376	T	66.4	Low	73.1	Confident	58 Å²	58	69.9 Å²	69.9	36%	0.356	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-33.4	-176.8	-48.8	0	0	0	0	113.6	I372 F373 H374	I372-T376 WeakPolarHBondContact O-CB 3.41Å; I372-T376 PolarHBondContact O-N 3.02Å; I372-T376 PolarHBondContact O-OG1 3.03Å; F373-T376 CarbonylContact O-C 3.5Å; F373-T376 PolarHBondContact O-N 3.07Å; H374-T376 PolarHBondContact O-N 2.94Å
377	Y	68.9	Low	73.5	Confident	142 Å²	142	72.6 Å²	72.6	56%	0.557	37%	0.366	S	S	*	.			trans	-141.2	66.5	-170.9	-56.7	-79.2	0	0	0	111.7	F373 L379 A380 S381	F373-Y377 AromaticContact CD1-CD2 3.99Å; F373-Y377 HydrophobicContact CD1-CD2 3.99Å; F373-Y377 HydrophobicContact CD1-CE2 4.21Å; F373-Y377 PolarHBondContact O-N 3.24Å; Y377-L379 PolarHBondContact O-N 3.31Å; Y377-A380 WeakPolarHBondContact O-CA 3.27Å; Y377-A380 WeakPolarHBondContact O-CB 3.47Å; Y377-A380 PolarHBondContact O-N 3.33Å; Y377-S381 PolarHBondContact O-N 2.91Å
378	D	65.4	Low	73.8	Confident	120 Å²	120	69.4 Å²	69.4	64%	0.642	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-44.5	-56.9	-173.5	-165.6	36.3	0	0	0	114.3	H374 A380 S381	H374-D378 IonicContact CE1-OD1 2.7Å; H374-D378 PolarHBondContact CE1-OD1 3.08Å; H374-D378 VanDerWaalsContact CE1-OD1 3.31Å; H374-D378 IonicContact ND1-OD1 2.68Å; D378-A380 PolarHBondContact O-N 3.46Å; D378-A380 VanDerWaalsContact O-N 3.17Å; D378-S381 WeakPolarHBondContact O-CB 3.43Å; D378-S381 PolarHBondContact O-N 3.38Å; D378-S381 VanDerWaalsContact O-N 3.1Å
379	L	58.3	Low	74.4	Confident	123 Å²	123	67.8 Å²	67.8	64%	0.644	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.2	179.2	-172.8	60.8	0	0	0	114.3	Y377	Y377-L379 PolarHBondContact O-N 3.31Å
380	A	64.8	Low	75.3	Confident	43 Å²	43	69 Å²	69	36%	0.355	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-82.1	-20.4	176.1	0	0	0	0	0	112.8	Y377 D378 A382 M383 V384	Y377-A380 WeakPolarHBondContact O-CA 3.27Å; Y377-A380 WeakPolarHBondContact O-CB 3.47Å; Y377-A380 PolarHBondContact O-N 3.33Å; D378-A380 PolarHBondContact O-N 3.46Å; D378-A380 VanDerWaalsContact O-N 3.17Å; A380-A382 VanDerWaalsContact C-N 3.35Å; A380-A382 PolarHBondContact O-N 3.4Å; A380-M383 WeakPolarHBondContact O-CA 3.31Å; A380-M383 WeakPolarHBondContact O-CB 3.3Å; A380-M383 PolarHBondContact O-N 3.18Å; A380-V384 PolarHBondContact O-N 3.48Å
381	S	73.3	Confident	76	Confident	22 Å²	22	69.1 Å²	69.1	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-51.2	-49	-176.6	176.8	0	0	0	0	112.8	H374 Y377 D378 M383 V384 R385	H374-S381 PolarHBondContact CD2-OG 3.48Å; Y377-S381 PolarHBondContact O-N 2.91Å; D378-S381 WeakPolarHBondContact O-CB 3.43Å; D378-S381 PolarHBondContact O-N 3.38Å; D378-S381 VanDerWaalsContact O-N 3.1Å; S381-M383 VanDerWaalsContact C-N 3.26Å; S381-M383 PolarHBondContact O-N 3.03Å; S381-V384 PolarHBondContact O-N 3.41Å; S381-R385 PolarHBondContact O-N 3.44Å
382	A	76.3	Confident	76.7	Confident	26 Å²	26	66.9 Å²	66.9	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-30.8	179.5	0	0	0	0	0	113.3	A380 I386 L484	A380-A382 VanDerWaalsContact C-N 3.35Å; A380-A382 PolarHBondContact O-N 3.4Å; A382-I386 PolarHBondContact O-N 2.98Å; A382-L484 HydrophobicContact CB-CD1 3.58Å
383	M	80.2	Confident	77.8	Confident	85 Å²	85	65.4 Å²	65.4	42%	0.419	35%	0.348	S	S	.	.	H	α-helix	trans	-78.3	-40	175.5	-71.5	-69.3	177.2	0	0	112.2	A380 S381 R385 I386 V387 L484 L488	A380-M383 WeakPolarHBondContact O-CA 3.31Å; A380-M383 WeakPolarHBondContact O-CB 3.3Å; A380-M383 PolarHBondContact O-N 3.18Å; S381-M383 VanDerWaalsContact C-N 3.26Å; S381-M383 PolarHBondContact O-N 3.03Å; M383-R385 VanDerWaalsContact C-N 3.29Å; M383-R385 PolarHBondContact O-N 3.26Å; M383-I386 VanDerWaalsContact O-CG2 3.24Å; M383-I386 WeakPolarHBondContact O-CG2 3.33Å; M383-I386 PolarHBondContact O-N 3.47Å; M383-V387 WeakPolarHBondContact O-CG2 3.37Å; M383-V387 PolarHBondContact O-N 3.39Å; M383-V387 VanDerWaalsContact O-N 3.11Å; M383-L484 HydrophobicContact CE-CD1 4.03Å; M383-L484 HydrophobicContact CE-CD2 4.15Å; M383-L484 HydrophobicContact CE-CG 4.38Å; M383-L484 HydrophobicContact CG-CD1 4.49Å; M383-L484 HydrophobicContact SD-CD1 4.15Å; M383-L484 HydrophobicContact SD-CD2 3.97Å; M383-L488 HydrophobicContact CE-CD1 3.95Å; M383-L488 HydrophobicContact CE-CD2 3.89Å; M383-L488 HydrophobicContact CE-CG 4.4Å
384	V	82.2	Confident	79.1	Confident	52 Å²	52	66.2 Å²	66.2	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-58.3	-44.3	172.8	171.4	0	0	0	0	110.2	A380 S381 I386 V387 N388	A380-V384 PolarHBondContact O-N 3.48Å; S381-V384 PolarHBondContact O-N 3.41Å; V384-I386 PolarHBondContact O-N 2.91Å; V384-V387 PolarHBondContact O-N 3.39Å; V384-N388 WeakPolarHBondContact O-CB 3.27Å; V384-N388 PolarHBondContact O-N 3.22Å
385	R	82.8	Confident	80.2	Confident	96 Å²	96	63.2 Å²	63.2	36%	0.362	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-38.5	-179.3	-168.2	175.4	64.2	177.4	-1.7	113.8	S381 M383 L389	S381-R385 PolarHBondContact O-N 3.44Å; M383-R385 VanDerWaalsContact C-N 3.29Å; M383-R385 PolarHBondContact O-N 3.26Å; R385-L389 WeakPolarHBondContact O-CB 3.38Å; R385-L389 PolarHBondContact O-N 2.95Å; R385-L389 VanDerWaalsContact O-N 3.12Å
386	I	86.8	Confident	81.6	Confident	25 Å²	25	62 Å²	62	13%	0.128	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-35.7	175.4	-167	167.8	0	0	0	112.1	A382 M383 V384 L389 I390 F477 A481 L484	A382-I386 PolarHBondContact O-N 2.98Å; M383-I386 VanDerWaalsContact O-CG2 3.24Å; M383-I386 WeakPolarHBondContact O-CG2 3.33Å; M383-I386 PolarHBondContact O-N 3.47Å; V384-I386 PolarHBondContact O-N 2.91Å; I386-L389 PolarHBondContact O-N 3.31Å; I386-I390 HydrophobicContact CG1-CD1 4.11Å; I386-I390 VanDerWaalsContact O-CG1 3.29Å; I386-I390 WeakPolarHBondContact O-CG1 3.41Å; I386-I390 PolarHBondContact O-N 3.32Å; I386-F477 HydrophobicContact CD1-CE2 4.31Å; I386-F477 HydrophobicContact CG1-CE2 4.4Å; I386-A481 HydrophobicContact CD1-CB 4.19Å; I386-L484 HydrophobicContact CB-CD2 4.27Å; I386-L484 HydrophobicContact CD1-CD2 3.79Å; I386-L484 HydrophobicContact CG2-CD2 3.78Å
387	V	86.8	Confident	83.1	Confident	100 Å²	100	59.3 Å²	59.3	61%	0.606	32%	0.321	S	S	*	.	H	α-helix	trans	-65	-43	174.9	170.8	0	0	0	0	111.1	M383 V384 I390 G391	M383-V387 WeakPolarHBondContact O-CG2 3.37Å; M383-V387 PolarHBondContact O-N 3.39Å; M383-V387 VanDerWaalsContact O-N 3.11Å; V384-V387 PolarHBondContact O-N 3.39Å; V387-I390 PolarHBondContact O-N 3.39Å; V387-G391 PolarHBondContact O-N 3.45Å
388	N	85.4	Confident	84.4	Confident	39 Å²	39	53 Å²	53	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-55.5	-50.9	172.3	177.9	16.5	0	0	0	111.3	I366 V384 I390 G391 M392	I366-N388 WeakPolarHBondContact CG2-ND2 3.42Å; I366-N388 WeakPolarHBondContact CG2-OD1 3.2Å; V384-N388 WeakPolarHBondContact O-CB 3.27Å; V384-N388 PolarHBondContact O-N 3.22Å; N388-I390 PolarHBondContact O-N 3.38Å; N388-G391 PolarHBondContact O-N 2.91Å; N388-G391 VanDerWaalsContact O-N 3.13Å; N388-M392 PolarHBondContact O-N 2.99Å
389	L	88.2	Confident	85.8	Confident	35 Å²	35	49.6 Å²	49.6	18%	0.183	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-40.4	178.8	-177.3	60.7	0	0	0	113.1	R385 I386 M392 M393 F477 H480	R385-L389 WeakPolarHBondContact O-CB 3.38Å; R385-L389 PolarHBondContact O-N 2.95Å; R385-L389 VanDerWaalsContact O-N 3.12Å; I386-L389 PolarHBondContact O-N 3.31Å; L389-M392 PolarHBondContact O-N 2.7Å; L389-M393 VanDerWaalsContact O-CB 3.29Å; L389-M393 WeakPolarHBondContact O-CB 3.22Å; L389-M393 PolarHBondContact O-N 3.44Å; L389-F477 HydrophobicContact CD2-CB 4.42Å; L389-H480 HydrophobicContact CD2-CB 3.59Å; L389-H480 VanDerWaalsContact CD2-CD2 3.47Å; L389-H480 WeakPolarHBondContact CD2-CD2 3.26Å
390	I	92.1	Very high	87.6	Confident	62 Å²	62	44.8 Å²	44.8	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-43	173.9	-69.2	164	0	0	0	110.5	I386 V387 N388 M393 L394 F477	I386-I390 HydrophobicContact CG1-CD1 4.11Å; I386-I390 VanDerWaalsContact O-CG1 3.29Å; I386-I390 WeakPolarHBondContact O-CG1 3.41Å; I386-I390 PolarHBondContact O-N 3.32Å; V387-I390 PolarHBondContact O-N 3.39Å; N388-I390 PolarHBondContact O-N 3.38Å; I390-M393 PolarHBondContact O-N 3.29Å; I390-L394 HydrophobicContact CG2-CD1 4.02Å; I390-L394 HydrophobicContact CG2-CG 4.45Å; I390-L394 WeakPolarHBondContact O-CB 3.38Å; I390-L394 WeakPolarHBondContact O-CG 3.38Å; I390-L394 PolarHBondContact O-N 3.28Å; I390-F477 HydrophobicContact CD1-CE2 4.17Å; I390-F477 HydrophobicContact CG1-CD2 4.27Å; I390-F477 HydrophobicContact CG1-CE2 3.89Å
391	G	91.2	Very high	89.1	Confident	39 Å²	39	42.7 Å²	42.7	40%	0.402	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-45.7	175.7	0	0	0	0	0	112.9	V387 N388 L394 L395	V387-G391 PolarHBondContact O-N 3.45Å; N388-G391 PolarHBondContact O-N 2.91Å; N388-G391 VanDerWaalsContact O-N 3.13Å; G391-L394 PolarHBondContact O-N 2.8Å; G391-L395 PolarHBondContact O-N 3.31Å
392	M	89.3	Confident	90.2	Very high	43 Å²	43	41.9 Å²	41.9	21%	0.212	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-41.8	175.9	-169.3	63.1	68.8	0	0	111.9	L359 I363 N388 L389 L395 L396	L359-M392 HydrophobicContact CD1-CE 4.12Å; L359-M392 HydrophobicContact CD1-SD 4.17Å; I363-M392 HydrophobicContact CG1-CE 4.05Å; N388-M392 PolarHBondContact O-N 2.99Å; L389-M392 PolarHBondContact O-N 2.7Å; M392-L395 PolarHBondContact O-N 2.92Å; M392-L396 HydrophobicContact CG-CD1 4.24Å; M392-L396 WeakPolarHBondContact O-CG 3.34Å; M392-L396 PolarHBondContact O-N 3.36Å
393	M	93.7	Very high	91	Very high	23 Å²	23	43.5 Å²	43.5	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.7	-174.9	176	70.3	0	0	111.9	L389 I390 C397 M444 C473 F477	L389-M393 VanDerWaalsContact O-CB 3.29Å; L389-M393 WeakPolarHBondContact O-CB 3.22Å; L389-M393 PolarHBondContact O-N 3.44Å; I390-M393 PolarHBondContact O-N 3.29Å; M393-C397 WeakPolarHBondContact O-CB 3.34Å; M393-C397 PolarHBondContact O-N 3.34Å; M393-M444 HydrophobicContact CG-CE 3.7Å; M393-M444 HydrophobicContact CG-CG 4.46Å; M393-M444 HydrophobicContact CG-SD 3.38Å; M393-M444 WeakPolarHBondContact CG-SD 3.26Å; M393-M444 HydrophobicContact SD-CE 4.29Å; M393-M444 HydrophobicContact SD-SD 4.34Å; M393-C473 HydrophobicContact CG-CB 4.47Å; M393-F477 HydrophobicContact SD-CB 4.39Å
394	L	95.1	Very high	91.7	Very high	96 Å²	96	39.5 Å²	39.5	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-39.7	174.1	-71.4	170.7	0	0	0	112.2	I390 G391 C397 H398	I390-L394 HydrophobicContact CG2-CD1 4.02Å; I390-L394 HydrophobicContact CG2-CG 4.45Å; I390-L394 WeakPolarHBondContact O-CB 3.38Å; I390-L394 WeakPolarHBondContact O-CG 3.38Å; I390-L394 PolarHBondContact O-N 3.28Å; G391-L394 PolarHBondContact O-N 2.8Å; L394-C397 PolarHBondContact O-N 2.95Å; L394-H398 VanDerWaalsContact O-CB 3.31Å; L394-H398 WeakPolarHBondContact O-CB 3.38Å; L394-H398 PolarHBondContact O-N 2.95Å
395	L	93.1	Very high	92.3	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-43.2	176.8	-175.2	63.4	0	0	0	112	L245 I246 L359 L362 G391 M392 H398 W399	L245-L395 HydrophobicContact CB-CD1 4.08Å; L245-L395 HydrophobicContact CB-CD2 4.47Å; L245-L395 HydrophobicContact CD1-CD2 4.46Å; I246-L395 HydrophobicContact CG1-CD1 4.3Å; L359-L395 HydrophobicContact CD1-CD2 4.2Å; L362-L395 HydrophobicContact CD2-CD2 4.37Å; G391-L395 PolarHBondContact O-N 3.31Å; M392-L395 PolarHBondContact O-N 2.92Å; L395-H398 WeakPolarHBondContact O-CB 3.25Å; L395-H398 PolarHBondContact O-N 3.44Å; L395-W399 HydrophobicContact CD2-CZ2 4.43Å; L395-W399 PolarHBondContact O-N 2.94Å
396	L	94.2	Very high	92.8	Very high	51 Å²	51	33.1 Å²	33.1	27%	0.267	18%	0.182	S	C	.	.	H	α-helix	trans	-66	-40.8	175.9	-69.6	172.4	0	0	0	111.9	M392 H398 W399 D400	M392-L396 HydrophobicContact CG-CD1 4.24Å; M392-L396 WeakPolarHBondContact O-CG 3.34Å; M392-L396 PolarHBondContact O-N 3.36Å; L396-H398 VanDerWaalsContact C-N 3.29Å; L396-H398 PolarHBondContact O-N 3.37Å; L396-W399 PolarHBondContact O-N 2.99Å; L396-D400 WeakPolarHBondContact O-CB 3.45Å; L396-D400 PolarHBondContact O-N 3.45Å
397	C	96.6	Very high	93	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.02	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-40.8	172.3	-171.1	0	0	0	0	112.4	M393 L394 G401 A440 M441 M444	M393-C397 WeakPolarHBondContact O-CB 3.34Å; M393-C397 PolarHBondContact O-N 3.34Å; L394-C397 PolarHBondContact O-N 2.95Å; C397-G401 PolarHBondContact O-N 3.38Å; C397-A440 WeakPolarHBondContact O-CB 3.29Å; C397-M441 VanDerWaalsContact SG-CA 3.55Å; C397-M444 HydrophobicContact CB-CE 3.6Å; C397-M444 HydrophobicContact CB-SD 3.69Å
398	H	96.4	Very high	93.3	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.046	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-44.7	177.9	169.6	67.2	0	0	0	111.9	I246 L394 L395 L396 G401 C402 Y433 L437	I246-H398 PolarHBondContact O-NE2 3.17Å; I246-H398 VanDerWaalsContact O-NE2 3.07Å; L394-H398 VanDerWaalsContact O-CB 3.31Å; L394-H398 WeakPolarHBondContact O-CB 3.38Å; L394-H398 PolarHBondContact O-N 2.95Å; L395-H398 WeakPolarHBondContact O-CB 3.25Å; L395-H398 PolarHBondContact O-N 3.44Å; L396-H398 VanDerWaalsContact C-N 3.29Å; L396-H398 PolarHBondContact O-N 3.37Å; H398-G401 PolarHBondContact O-N 3.04Å; H398-C402 VanDerWaalsContact CE1-SG 3.58Å; H398-C402 PolarHBondContact O-N 3.31Å; H398-C402 PolarHBondContact O-SG 2.89Å; H398-Y433 AromaticContact CE1-CE2 3.74Å; H398-Y433 AromaticContact CE1-CZ 4Å; H398-Y433 AromaticContact ND1-CE2 3.56Å; H398-Y433 AromaticContact ND1-CZ 3.64Å; H398-Y433 PolarHBondContact ND1-OH 3Å; H398-L437 HydrophobicContact CB-CD1 4.49Å
399	W	95.9	Very high	93.5	Very high	48 Å²	48	28.2 Å²	28.2	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-43.2	176.4	-75	5	0	0	0	113	L245 L356 L359 L395 L396 G401 C402 L403	L245-W399 HydrophobicContact CB-CZ2 4.1Å; L245-W399 HydrophobicContact CD2-CH2 4.19Å; L245-W399 HydrophobicContact CD2-CZ2 3.63Å; L245-W399 HydrophobicContact CG-CZ2 4.33Å; L245-W399 PolarHBondContact O-NE1 3.33Å; L356-W399 HydrophobicContact CB-CH2 3.95Å; L356-W399 HydrophobicContact CB-CZ2 4.17Å; L356-W399 HydrophobicContact CD1-CZ2 4.36Å; L356-W399 HydrophobicContact CD2-CZ2 3.89Å; L356-W399 HydrophobicContact CG-CZ2 4.36Å; L359-W399 HydrophobicContact CB-CH2 3.87Å; L359-W399 HydrophobicContact CD2-CH2 3.62Å; L359-W399 HydrophobicContact CD2-CZ3 3.62Å; L359-W399 HydrophobicContact CG-CH2 4.27Å; L395-W399 HydrophobicContact CD2-CZ2 4.43Å; L395-W399 PolarHBondContact O-N 2.94Å; L396-W399 PolarHBondContact O-N 2.99Å; W399-G401 VanDerWaalsContact C-N 3.34Å; W399-C402 PolarHBondContact O-N 2.78Å; W399-L403 VanDerWaalsContact O-CB 3.3Å; W399-L403 WeakPolarHBondContact O-CB 3.44Å; W399-L403 PolarHBondContact O-N 3.05Å
400	D	96.1	Very high	93.4	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.112	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-39.5	176.5	-176.3	72.3	0	0	0	111.4	L396 C402 L403 Q404 A440 S466	L396-D400 WeakPolarHBondContact O-CB 3.45Å; L396-D400 PolarHBondContact O-N 3.45Å; D400-C402 PolarHBondContact O-N 3.43Å; D400-L403 PolarHBondContact O-N 3.46Å; D400-Q404 WeakPolarHBondContact O-CB 3.4Å; D400-Q404 VanDerWaalsContact O-CG 3.3Å; D400-Q404 WeakPolarHBondContact O-CG 3.49Å; D400-Q404 PolarHBondContact O-N 3.29Å; D400-Q404 PolarHBondContact OD2-NE2 3.05Å; D400-A440 HydrophobicContact CB-CB 4.04Å; D400-A440 WeakPolarHBondContact OD2-CA 3.39Å; D400-A440 WeakPolarHBondContact OD2-CB 3.47Å; D400-S466 VanDerWaalsContact OD1-CB 3.23Å; D400-S466 WeakPolarHBondContact OD1-CB 3.45Å; D400-S466 PolarHBondContact OD1-OG 2.87Å; D400-S466 WeakPolarHBondContact OD2-CB 3.46Å; D400-S466 PolarHBondContact OD2-OG 3.3Å
401	G	96.1	Very high	93.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-46.9	172.3	0	0	0	0	0	112.4	C397 H398 W399 Q404 F405 A436 A440	C397-G401 PolarHBondContact O-N 3.38Å; H398-G401 PolarHBondContact O-N 3.04Å; W399-G401 VanDerWaalsContact C-N 3.34Å; G401-Q404 PolarHBondContact O-N 2.83Å; G401-F405 PolarHBondContact O-N 3.35Å; G401-A436 WeakPolarHBondContact CA-O 3.22Å; G401-A436 WeakPolarHBondContact O-CB 3.3Å; G401-A440 VanDerWaalsContact N-CB 3.32Å
402	C	95.6	Very high	93	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-42.5	175.3	-63.8	0	0	0	0	111.8	P249 T253 H398 W399 D400 Q404 F405 L406	P249-C402 HydrophobicContact CB-CB 3.75Å; T253-C402 HydrophobicContact CG2-CB 4.24Å; T253-C402 WeakPolarHBondContact CG2-O 3.25Å; H398-C402 VanDerWaalsContact CE1-SG 3.58Å; H398-C402 PolarHBondContact O-N 3.31Å; H398-C402 PolarHBondContact O-SG 2.89Å; W399-C402 PolarHBondContact O-N 2.78Å; D400-C402 PolarHBondContact O-N 3.43Å; C402-Q404 PolarHBondContact O-N 3.12Å; C402-F405 PolarHBondContact O-N 2.93Å; C402-L406 WeakPolarHBondContact O-CB 3.24Å; C402-L406 PolarHBondContact O-N 2.89Å
403	L	94.1	Very high	93.1	Very high	60 Å²	60	32.3 Å²	32.3	31%	0.314	16%	0.163	S	C	.	.	H	α-helix	trans	-62.4	-42.6	178.1	179.8	63	0	0	0	112.2	W399 D400 F405 L406 V407 L462	W399-L403 VanDerWaalsContact O-CB 3.3Å; W399-L403 WeakPolarHBondContact O-CB 3.44Å; W399-L403 PolarHBondContact O-N 3.05Å; D400-L403 PolarHBondContact O-N 3.46Å; L403-F405 PolarHBondContact O-N 3.24Å; L403-L406 HydrophobicContact CD1-CD2 4.3Å; L403-L406 WeakPolarHBondContact O-CB 3.31Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-V407 HydrophobicContact CD1-CG2 3.92Å; L403-V407 PolarHBondContact O-N 3.03Å; L403-L462 HydrophobicContact CD2-CD2 4.32Å; L403-L462 HydrophobicContact CG-CD2 4.2Å
404	Q	94.8	Very high	93.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-22.6	177.8	-75.2	-169	60.4	0	0	113.4	D400 G401 C402 P408 W418 K439 H443 S466	D400-Q404 WeakPolarHBondContact O-CB 3.4Å; D400-Q404 VanDerWaalsContact O-CG 3.3Å; D400-Q404 WeakPolarHBondContact O-CG 3.49Å; D400-Q404 PolarHBondContact O-N 3.29Å; D400-Q404 PolarHBondContact OD2-NE2 3.05Å; G401-Q404 PolarHBondContact O-N 2.83Å; C402-Q404 PolarHBondContact O-N 3.12Å; Q404-P408 VanDerWaalsContact O-CD 3.26Å; Q404-P408 WeakPolarHBondContact O-CD 3.45Å; Q404-P408 WeakPolarHBondContact O-CG 3.46Å; Q404-W418 PolarHBondContact O-NE1 3.47Å; Q404-K439 VanDerWaalsContact OE1-CD 3.31Å; Q404-K439 VanDerWaalsContact OE1-CG 3.3Å; Q404-H443 PolarHBondContact NE2-CE1 3.34Å; Q404-H443 PolarHBondContact NE2-ND1 3.22Å; Q404-H443 PolarHBondContact OE1-CE1 2.88Å; Q404-S466 PolarHBondContact NE2-OG 3.21Å
405	F	94.9	Very high	92.9	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-93.3	-34.2	170.4	-170.3	-95.2	0	0	0	113	T253 F254 G401 C402 L403 V407 P408 M409 F413 W418 V419 Q432 A436	T253-F405 WeakPolarHBondContact O-CE1 3.44Å; F254-F405 AromaticContact CD1-CD1 3.6Å; F254-F405 HydrophobicContact CD1-CD1 3.6Å; F254-F405 AromaticContact CD1-CE1 3.49Å; F254-F405 HydrophobicContact CD1-CE1 3.49Å; F254-F405 VanDerWaalsContact CD1-CE1 3.49Å; F254-F405 HydrophobicContact CD1-CE2 4.44Å; F254-F405 HydrophobicContact CD1-CG 4.13Å; F254-F405 AromaticContact CD1-CZ 3.94Å; F254-F405 HydrophobicContact CD1-CZ 3.94Å; F254-F405 HydrophobicContact CE1-CB 3.89Å; F254-F405 AromaticContact CE1-CD1 3.27Å; F254-F405 HydrophobicContact CE1-CD1 3.27Å; F254-F405 AromaticContact CE1-CD2 3.75Å; F254-F405 HydrophobicContact CE1-CD2 3.75Å; F254-F405 AromaticContact CE1-CE1 3.6Å; F254-F405 HydrophobicContact CE1-CE1 3.6Å; F254-F405 HydrophobicContact CE1-CE2 4.04Å; F254-F405 AromaticContact CE1-CG 3.34Å; F254-F405 HydrophobicContact CE1-CG 3.34Å; F254-F405 AromaticContact CE1-CZ 3.96Å; F254-F405 HydrophobicContact CE1-CZ 3.96Å; F254-F405 HydrophobicContact CG-CD1 4.38Å; F254-F405 HydrophobicContact CG-CE1 4.37Å; F254-F405 HydrophobicContact CZ-CB 3.75Å; F254-F405 AromaticContact CZ-CD1 3.82Å; F254-F405 HydrophobicContact CZ-CD1 3.82Å; F254-F405 HydrophobicContact CZ-CD2 4.45Å; F254-F405 AromaticContact CZ-CG 3.76Å; F254-F405 HydrophobicContact CZ-CG 3.76Å; G401-F405 PolarHBondContact O-N 3.35Å; C402-F405 PolarHBondContact O-N 2.93Å; L403-F405 PolarHBondContact O-N 3.24Å; F405-V407 PolarHBondContact O-N 2.76Å; F405-P408 WeakPolarHBondContact O-CD 3.45Å; F405-M409 WeakPolarHBondContact O-CB 3.34Å; F405-M409 PolarHBondContact O-N 3.11Å; F405-M409 VanDerWaalsContact O-N 3.15Å; F405-F413 HydrophobicContact CE1-CE1 4.26Å; F405-F413 HydrophobicContact CE1-CZ 4.09Å; F405-F413 AromaticContact CE2-CE1 3.98Å; F405-F413 HydrophobicContact CE2-CE1 3.98Å; F405-F413 HydrophobicContact CE2-CZ 4.44Å; F405-F413 AromaticContact CZ-CE1 3.77Å; F405-F413 HydrophobicContact CZ-CE1 3.77Å; F405-F413 AromaticContact CZ-CZ 3.78Å; F405-F413 HydrophobicContact CZ-CZ 3.78Å; F405-W418 HydrophobicContact CB-CZ2 4.16Å; F405-W418 AromaticContact CD2-CH2 3.9Å; F405-W418 HydrophobicContact CD2-CH2 3.9Å; F405-W418 AromaticContact CD2-CZ2 3.96Å; F405-W418 HydrophobicContact CD2-CZ2 3.96Å; F405-V419 HydrophobicContact CD2-CG2 3.87Å; F405-V419 HydrophobicContact CE2-CG1 3.87Å; F405-V419 HydrophobicContact CE2-CG2 4Å; F405-Q432 HydrophobicContact CE2-CB 3.91Å; F405-Q432 HydrophobicContact CE2-CG 4.15Å; F405-Q432 HydrophobicContact CZ-CB 4.17Å; F405-Q432 HydrophobicContact CZ-CG 4.32Å; F405-A436 HydrophobicContact CB-CB 4.21Å
406	L	92.1	Very high	92.8	Very high	11 Å²	11	35 Å²	35	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-54	-51.5	179	178.6	57.2	0	0	0	112.1	I252 T253 L353 C402 L403 M409 L410	I252-L406 HydrophobicContact CG2-CD1 4.27Å; T253-L406 HydrophobicContact CG2-CB 3.63Å; T253-L406 HydrophobicContact CG2-CD1 3.9Å; T253-L406 HydrophobicContact CG2-CG 4.21Å; L353-L406 HydrophobicContact CD1-CD2 3.79Å; C402-L406 WeakPolarHBondContact O-CB 3.24Å; C402-L406 PolarHBondContact O-N 2.89Å; L403-L406 HydrophobicContact CD1-CD2 4.3Å; L403-L406 WeakPolarHBondContact O-CB 3.31Å; L403-L406 PolarHBondContact O-N 3.17Å; L406-M409 HydrophobicContact CD1-CE 3.73Å; L406-M409 WeakPolarHBondContact O-CB 3.44Å; L406-M409 PolarHBondContact O-N 3.42Å; L406-L410 HydrophobicContact CD1-CD1 3.88Å; L406-L410 HydrophobicContact CD1-CD2 4.35Å; L406-L410 HydrophobicContact CD1-CG 3.91Å; L406-L410 HydrophobicContact CG-CD1 3.89Å; L406-L410 HydrophobicContact CG-CG 4.28Å; L406-L410 WeakPolarHBondContact O-CG 3.48Å; L406-L410 PolarHBondContact O-N 3.31Å
407	V	92	Very high	92.8	Very high	32 Å²	32	32.6 Å²	32.6	19%	0.194	18%	0.181	C	C	.	.	H	α-helix	trans	-70.3	-43	-170.6	-171.5	0	0	0	0	112.2	L403 F405 M409 L410 Q411 T458 L462	L403-V407 HydrophobicContact CD1-CG2 3.92Å; L403-V407 PolarHBondContact O-N 3.03Å; F405-V407 PolarHBondContact O-N 2.76Å; V407-M409 VanDerWaalsContact C-N 3.29Å; V407-M409 PolarHBondContact O-N 2.88Å; V407-L410 PolarHBondContact O-N 3Å; V407-Q411 WeakPolarHBondContact O-CG 3.3Å; V407-Q411 PolarHBondContact O-N 3.5Å; V407-T458 HydrophobicContact CB-CG2 4.33Å; V407-T458 HydrophobicContact CG1-CG2 3.44Å; V407-T458 VanDerWaalsContact CG1-CG2 3.44Å; V407-L462 HydrophobicContact CB-CD1 3.74Å; V407-L462 HydrophobicContact CG1-CD1 4.21Å; V407-L462 HydrophobicContact CG2-CD1 3.94Å; V407-L462 HydrophobicContact CG2-CD2 4.21Å
408	P	92.1	Very high	92.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-54.9	-40.5	166.9	-29.3	36.7	0	0	0	113.7	Q404 F405 Q411 D412 F413 C417 V419	Q404-P408 VanDerWaalsContact O-CD 3.26Å; Q404-P408 WeakPolarHBondContact O-CD 3.45Å; Q404-P408 WeakPolarHBondContact O-CG 3.46Å; F405-P408 WeakPolarHBondContact O-CD 3.45Å; P408-Q411 CarbonylContact O-C 3.56Å; P408-Q411 PolarHBondContact O-N 2.91Å; P408-Q411 VanDerWaalsContact O-N 3.16Å; P408-D412 PolarHBondContact O-N 3.41Å; P408-F413 HydrophobicContact CB-CD1 4.14Å; P408-F413 HydrophobicContact CB-CE1 4.48Å; P408-F413 WeakPolarHBondContact O-CA 3.27Å; P408-F413 PolarHBondContact O-N 3.06Å; P408-C417 HydrophobicContact CB-CB 4.31Å; P408-C417 HydrophobicContact CG-CB 4.43Å; P408-V419 HydrophobicContact CB-CG2 4.18Å; P408-V419 HydrophobicContact CG-CG2 4.48Å
409	M	89.2	Confident	92.5	Very high	29 Å²	29	32.9 Å²	32.9	14%	0.143	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-41.5	176.6	177.7	-91.6	-76.4	0	0	112.4	I252 K349 F405 L406 V407 Q411 D412 F413	I252-M409 WeakPolarHBondContact O-CE 3.42Å; K349-M409 HydrophobicContact CD-CE 4.02Å; K349-M409 HydrophobicContact CD-SD 4.2Å; F405-M409 WeakPolarHBondContact O-CB 3.34Å; F405-M409 PolarHBondContact O-N 3.11Å; F405-M409 VanDerWaalsContact O-N 3.15Å; L406-M409 HydrophobicContact CD1-CE 3.73Å; L406-M409 WeakPolarHBondContact O-CB 3.44Å; L406-M409 PolarHBondContact O-N 3.42Å; V407-M409 VanDerWaalsContact C-N 3.29Å; V407-M409 PolarHBondContact O-N 2.88Å; M409-Q411 PolarHBondContact O-N 2.96Å; M409-D412 PolarHBondContact O-N 3.35Å; M409-F413 HydrophobicContact CB-CE1 3.92Å; M409-F413 HydrophobicContact CB-CE2 4.18Å; M409-F413 HydrophobicContact CB-CZ 3.56Å; M409-F413 HydrophobicContact CG-CE2 4.15Å; M409-F413 HydrophobicContact CG-CZ 3.86Å
410	L	86.6	Confident	92.3	Very high	34 Å²	34	31.9 Å²	31.9	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-19.3	173.6	-66.4	175.9	0	0	0	113.2	R346 K349 I350 L406 V407	R346-L410 HydrophobicContact CB-CD2 3.89Å; R346-L410 HydrophobicContact CG-CD2 3.82Å; R346-L410 PolarHBondContact NH1-O 2.86Å; K349-L410 HydrophobicContact CD-CD2 4.4Å; I350-L410 HydrophobicContact CD1-CD1 4.46Å; I350-L410 HydrophobicContact CG1-CD1 4.43Å; L406-L410 HydrophobicContact CD1-CD1 3.88Å; L406-L410 HydrophobicContact CD1-CD2 4.35Å; L406-L410 HydrophobicContact CD1-CG 3.91Å; L406-L410 HydrophobicContact CG-CD1 3.89Å; L406-L410 HydrophobicContact CG-CG 4.28Å; L406-L410 WeakPolarHBondContact O-CG 3.48Å; L406-L410 PolarHBondContact O-N 3.31Å; V407-L410 PolarHBondContact O-N 3Å
411	Q	88.6	Confident	92.1	Very high	81 Å²	81	34.9 Å²	34.9	38%	0.379	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.8	175.7	-69.1	-176.7	-13.5	0	0	113.8	V407 P408 M409 F413 P414 T458	V407-Q411 WeakPolarHBondContact O-CG 3.3Å; V407-Q411 PolarHBondContact O-N 3.5Å; P408-Q411 CarbonylContact O-C 3.56Å; P408-Q411 PolarHBondContact O-N 2.91Å; P408-Q411 VanDerWaalsContact O-N 3.16Å; M409-Q411 PolarHBondContact O-N 2.96Å; Q411-F413 VanDerWaalsContact C-N 3.32Å; Q411-F413 PolarHBondContact O-N 3Å; Q411-P414 HydrophobicContact CB-CG 4.16Å; Q411-T458 PolarHBondContact NE2-OG1 2.73Å; Q411-T458 VanDerWaalsContact NE2-OG1 3.09Å; Q411-T458 PolarHBondContact OE1-OG1 3.46Å
412	D	87.7	Confident	91.8	Very high	108 Å²	108	36.4 Å²	36.4	58%	0.578	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	32.3	-177	-55.5	-64	0	0	0	114.6	R346 P408 M409	R346-D412 IonicContact CZ-OD1 3.12Å; R346-D412 IonicContact CZ-OD2 3.6Å; R346-D412 IonicContact NH1-OD1 3.85Å; R346-D412 IonicContact NH1-OD2 2.95Å; R346-D412 PolarHBondContact NH1-OD2 2.97Å; R346-D412 IonicContact NH2-OD1 2.7Å; R346-D412 PolarHBondContact NH2-OD1 2.92Å; R346-D412 IonicContact NH2-OD2 3.82Å; R346-D412 PolarHBondContact NH2-OD2 3.39Å; P408-D412 PolarHBondContact O-N 3.41Å; M409-D412 PolarHBondContact O-N 3.35Å
413	F	91.5	Very high	91.7	Very high	41 Å²	41	44.8 Å²	44.8	18%	0.18	24%	0.238	C	C	.	.			trans	54.3	62.7	177.9	-58.7	-74.4	0	0	0	114.3	F405 P408 M409 Q411 V419 S420 V425	F405-F413 HydrophobicContact CE1-CE1 4.26Å; F405-F413 HydrophobicContact CE1-CZ 4.09Å; F405-F413 AromaticContact CE2-CE1 3.98Å; F405-F413 HydrophobicContact CE2-CE1 3.98Å; F405-F413 HydrophobicContact CE2-CZ 4.44Å; F405-F413 AromaticContact CZ-CE1 3.77Å; F405-F413 HydrophobicContact CZ-CE1 3.77Å; F405-F413 AromaticContact CZ-CZ 3.78Å; F405-F413 HydrophobicContact CZ-CZ 3.78Å; P408-F413 HydrophobicContact CB-CD1 4.14Å; P408-F413 HydrophobicContact CB-CE1 4.48Å; P408-F413 WeakPolarHBondContact O-CA 3.27Å; P408-F413 PolarHBondContact O-N 3.06Å; M409-F413 HydrophobicContact CB-CE1 3.92Å; M409-F413 HydrophobicContact CB-CE2 4.18Å; M409-F413 HydrophobicContact CB-CZ 3.56Å; M409-F413 HydrophobicContact CG-CE2 4.15Å; M409-F413 HydrophobicContact CG-CZ 3.86Å; Q411-F413 VanDerWaalsContact C-N 3.32Å; Q411-F413 PolarHBondContact O-N 3Å; F413-V419 HydrophobicContact CD1-CB 4.04Å; F413-V419 HydrophobicContact CD1-CG1 4.04Å; F413-V419 HydrophobicContact CD1-CG2 4.26Å; F413-V419 HydrophobicContact CE1-CB 4.41Å; F413-V419 HydrophobicContact CE1-CG1 4.11Å; F413-V419 HydrophobicContact CE1-CG2 4.31Å; F413-S420 PolarHBondContact O-OG 3.23Å; F413-V425 HydrophobicContact CB-CG1 4.29Å; F413-V425 HydrophobicContact CB-CG2 4.16Å; F413-V425 HydrophobicContact CD1-CG2 4.46Å; F413-V425 HydrophobicContact CD2-CG1 3.85Å; F413-V425 HydrophobicContact CE2-CG1 4.3Å; F413-V425 HydrophobicContact CG-CG1 4.01Å; F413-V425 HydrophobicContact CG-CG2 4.3Å
414	P	92.8	Very high	91.6	Very high	37 Å²	37	43 Å²	43	24%	0.24	23%	0.228	C	C	.	.			trans	-61.8	151.9	-175.8	30	-36	0	0	0	111.8	Q411 D416 C417 S420	Q411-P414 HydrophobicContact CB-CG 4.16Å; P414-D416 WeakPolarHBondContact CB-OD1 3.3Å; P414-D416 PolarHBondContact O-N 2.71Å; P414-C417 HydrophobicContact CG-CB 4.2Å; P414-C417 PolarHBondContact O-N 3.19Å; P414-C417 PolarHBondContact O-SG 2.94Å; P414-S420 WeakPolarHBondContact O-CB 3.48Å; P414-S420 PolarHBondContact O-OG 3.45Å
415	A	91	Very high	91.5	Very high	90 Å²	90	44.6 Å²	44.6	74%	0.744	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.9	-166.3	0	0	0	0	0	114.5
416	D	91.3	Very high	91.3	Very high	69 Å²	69	51.3 Å²	51.3	37%	0.369	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-14.2	176.7	63	-32	0	0	0	114.6	P414 K421 G456	P414-D416 WeakPolarHBondContact CB-OD1 3.3Å; P414-D416 PolarHBondContact O-N 2.71Å; D416-K421 VanDerWaalsContact O-CE 3.27Å; D416-K421 WeakPolarHBondContact O-CE 3.32Å; D416-G456 WeakPolarHBondContact OD2-CA 3.46Å
417	C	93	Very high	91.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	29%	0.288	C	S	.	.	S	Bend	trans	-75.2	157	-178.8	82.2	0	0	0	0	113.3	P408 P414 V419 S420 K421 D459	P408-C417 HydrophobicContact CB-CB 4.31Å; P408-C417 HydrophobicContact CG-CB 4.43Å; P414-C417 HydrophobicContact CG-CB 4.2Å; P414-C417 PolarHBondContact O-N 3.19Å; P414-C417 PolarHBondContact O-SG 2.94Å; C417-V419 VanDerWaalsContact C-N 3.29Å; C417-V419 PolarHBondContact O-N 3.44Å; C417-S420 PolarHBondContact O-N 3.39Å; C417-K421 WeakPolarHBondContact O-CG 3.19Å; C417-K421 PolarHBondContact O-N 3.33Å; C417-D459 VanDerWaalsContact CA-OD2 3.26Å; C417-D459 WeakPolarHBondContact CA-OD2 3.34Å
418	W	93.1	Very high	91.4	Very high	17 Å²	17	56.4 Å²	56.4	6%	0.064	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-35	-177.2	71.8	-92.1	0	0	0	114	Q404 F405 N422 M424 Y435 A436 K439 D459	Q404-W418 PolarHBondContact O-NE1 3.47Å; F405-W418 HydrophobicContact CB-CZ2 4.16Å; F405-W418 AromaticContact CD2-CH2 3.9Å; F405-W418 HydrophobicContact CD2-CH2 3.9Å; F405-W418 AromaticContact CD2-CZ2 3.96Å; F405-W418 HydrophobicContact CD2-CZ2 3.96Å; W418-N422 VanDerWaalsContact O-CB 3.31Å; W418-N422 WeakPolarHBondContact O-CB 3.37Å; W418-N422 PolarHBondContact O-N 3.22Å; W418-M424 HydrophobicContact CE3-CE 4.15Å; W418-M424 HydrophobicContact CZ3-CE 3.6Å; W418-Y435 AromaticContact CE3-CD1 3.81Å; W418-Y435 HydrophobicContact CE3-CD1 3.81Å; W418-Y435 AromaticContact CE3-CE1 3.71Å; W418-Y435 HydrophobicContact CE3-CE1 3.71Å; W418-Y435 HydrophobicContact CH2-CD1 4.03Å; W418-Y435 AromaticContact CZ3-CD1 3.27Å; W418-Y435 HydrophobicContact CZ3-CD1 3.27Å; W418-Y435 AromaticContact CZ3-CE1 3.71Å; W418-Y435 HydrophobicContact CZ3-CE1 3.71Å; W418-Y435 HydrophobicContact CZ3-CG 4.24Å; W418-A436 HydrophobicContact CH2-CB 3.83Å; W418-A436 HydrophobicContact CZ2-CB 4.1Å; W418-K439 HydrophobicContact CD2-CD 4.43Å; W418-K439 HydrophobicContact CG-CD 4.47Å; W418-D459 PolarHBondContact N-OD2 3.39Å
419	V	93.8	Very high	91.5	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-48.2	179.8	-168	0	0	0	0	110.7	F405 P408 F413 C417 N422 K423 M424 V425	F405-V419 HydrophobicContact CD2-CG2 3.87Å; F405-V419 HydrophobicContact CE2-CG1 3.87Å; F405-V419 HydrophobicContact CE2-CG2 4Å; P408-V419 HydrophobicContact CB-CG2 4.18Å; P408-V419 HydrophobicContact CG-CG2 4.48Å; F413-V419 HydrophobicContact CD1-CB 4.04Å; F413-V419 HydrophobicContact CD1-CG1 4.04Å; F413-V419 HydrophobicContact CD1-CG2 4.26Å; F413-V419 HydrophobicContact CE1-CB 4.41Å; F413-V419 HydrophobicContact CE1-CG1 4.11Å; F413-V419 HydrophobicContact CE1-CG2 4.31Å; C417-V419 VanDerWaalsContact C-N 3.29Å; C417-V419 PolarHBondContact O-N 3.44Å; V419-N422 PolarHBondContact O-N 3.1Å; V419-K423 PolarHBondContact O-N 3.43Å; V419-K423 VanDerWaalsContact O-N 3.16Å; V419-M424 PolarHBondContact O-N 3.14Å; V419-M424 VanDerWaalsContact O-N 3.07Å; V419-V425 HydrophobicContact CB-CG2 4.42Å; V419-V425 HydrophobicContact CG1-CG2 3.81Å
420	S	92.8	Very high	91.7	Very high	28 Å²	28	62.6 Å²	62.6	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-69.8	-39.2	-179.5	-63.5	0	0	0	0	111.9	F413 P414 C417 N422 K423	F413-S420 PolarHBondContact O-OG 3.23Å; P414-S420 WeakPolarHBondContact O-CB 3.48Å; P414-S420 PolarHBondContact O-OG 3.45Å; C417-S420 PolarHBondContact O-N 3.39Å; S420-N422 PolarHBondContact O-N 3.17Å; S420-K423 WeakPolarHBondContact O-CA 3.44Å; S420-K423 PolarHBondContact O-N 2.92Å
421	K	90.8	Very high	92.1	Very high	84 Å²	84	65.9 Å²	65.9	37%	0.365	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-39.3	174.1	-75.1	-171.6	174.6	-168.5	0	113.6	D416 C417 K423 V455	D416-K421 VanDerWaalsContact O-CE 3.27Å; D416-K421 WeakPolarHBondContact O-CE 3.32Å; C417-K421 WeakPolarHBondContact O-CG 3.19Å; C417-K421 PolarHBondContact O-N 3.33Å; K421-K423 PolarHBondContact O-N 3.28Å; K421-V455 VanDerWaalsContact NZ-CB 3.26Å; K421-V455 VanDerWaalsContact NZ-CG2 3.31Å
422	N	91.3	Very high	92.4	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.171	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-7	174.3	-67.8	-4.9	0	0	0	112.8	W418 V419 S420 M424 Y435 Y452	W418-N422 VanDerWaalsContact O-CB 3.31Å; W418-N422 WeakPolarHBondContact O-CB 3.37Å; W418-N422 PolarHBondContact O-N 3.22Å; V419-N422 PolarHBondContact O-N 3.1Å; S420-N422 PolarHBondContact O-N 3.17Å; N422-M424 HydrophobicContact CB-CE 3.73Å; N422-M424 HydrophobicContact CB-CG 3.74Å; N422-M424 HydrophobicContact CB-SD 3.9Å; N422-M424 WeakPolarHBondContact O-CG 3.5Å; N422-M424 PolarHBondContact O-N 3.46Å; N422-Y435 WeakPolarHBondContact ND2-CE1 3.14Å; N422-Y435 PolarHBondContact ND2-OH 3.28Å; N422-Y452 VanDerWaalsContact OD1-CD2 3.3Å; N422-Y452 WeakPolarHBondContact OD1-CD2 3.46Å; N422-Y452 WeakPolarHBondContact OD1-CE2 3.41Å
423	K	92.4	Very high	92.9	Very high	179 Å²	179	59.5 Å²	59.5	78%	0.778	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	15.1	-176	-53.1	-179.7	-179.8	178.5	0	115.3	V419 S420 K421 V425	V419-K423 PolarHBondContact O-N 3.43Å; V419-K423 VanDerWaalsContact O-N 3.16Å; S420-K423 WeakPolarHBondContact O-CA 3.44Å; S420-K423 PolarHBondContact O-N 2.92Å; K421-K423 PolarHBondContact O-N 3.28Å; K423-V425 VanDerWaalsContact C-N 3.32Å; K423-V425 PolarHBondContact O-N 2.93Å
424	M	91.9	Very high	93.1	Very high	24 Å²	24	61 Å²	61	12%	0.118	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-87.7	11.1	-169.9	-54.7	-177.3	-46.3	0	0	114.3	W418 V419 N422 N426 D427 Q432 Y435	W418-M424 HydrophobicContact CE3-CE 4.15Å; W418-M424 HydrophobicContact CZ3-CE 3.6Å; V419-M424 PolarHBondContact O-N 3.14Å; V419-M424 VanDerWaalsContact O-N 3.07Å; N422-M424 HydrophobicContact CB-CE 3.73Å; N422-M424 HydrophobicContact CB-CG 3.74Å; N422-M424 HydrophobicContact CB-SD 3.9Å; N422-M424 WeakPolarHBondContact O-CG 3.5Å; N422-M424 PolarHBondContact O-N 3.46Å; M424-N426 PolarHBondContact O-N 3.43Å; M424-D427 WeakPolarHBondContact CA-OD2 3.46Å; M424-D427 HydrophobicContact CB-CB 4.32Å; M424-D427 VanDerWaalsContact CB-OD2 3.26Å; M424-D427 WeakPolarHBondContact CB-OD2 3.45Å; M424-D427 VanDerWaalsContact CG-OD2 3.27Å; M424-D427 WeakPolarHBondContact CG-OD2 3.31Å; M424-D427 WeakPolarHBondContact O-CB 3.35Å; M424-D427 PolarHBondContact O-N 2.89Å; M424-Q432 PolarHBondContact O-NE2 3.34Å; M424-Y435 HydrophobicContact CE-CD1 3.76Å; M424-Y435 HydrophobicContact CE-CD2 3.94Å; M424-Y435 HydrophobicContact CE-CE1 4.24Å; M424-Y435 HydrophobicContact CE-CE2 4.39Å; M424-Y435 HydrophobicContact CE-CG 3.59Å; M424-Y435 HydrophobicContact SD-CD2 4.14Å; M424-Y435 HydrophobicContact SD-CG 4.3Å
425	V	92.3	Very high	93.2	Very high	34 Å²	34	60.9 Å²	60.9	21%	0.206	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.1	-29.6	-175.8	-179.7	0	0	0	0	112.7	F413 V419 K423 Q432	F413-V425 HydrophobicContact CB-CG1 4.29Å; F413-V425 HydrophobicContact CB-CG2 4.16Å; F413-V425 HydrophobicContact CD1-CG2 4.46Å; F413-V425 HydrophobicContact CD2-CG1 3.85Å; F413-V425 HydrophobicContact CE2-CG1 4.3Å; F413-V425 HydrophobicContact CG-CG1 4.01Å; F413-V425 HydrophobicContact CG-CG2 4.3Å; V419-V425 HydrophobicContact CB-CG2 4.42Å; V419-V425 HydrophobicContact CG1-CG2 3.81Å; K423-V425 VanDerWaalsContact C-N 3.32Å; K423-V425 PolarHBondContact O-N 2.93Å; V425-Q432 PolarHBondContact O-NE2 3.38Å; V425-Q432 VanDerWaalsContact O-NE2 3.07Å
426	N	91.3	Very high	93.5	Very high	144 Å²	144	56.6 Å²	56.6	77%	0.77	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-107.1	4.7	-178.9	-65.4	-27.7	0	0	0	113.7	M424	M424-N426 PolarHBondContact O-N 3.43Å
427	D	92.8	Very high	93.7	Very high	66 Å²	66	55.1 Å²	55.1	35%	0.353	28%	0.279	S	S	.	.	S	Bend	trans	-70.9	170.2	177.9	-70.6	-3.2	0	0	0	111.8	M424 Q431 Q432	M424-D427 WeakPolarHBondContact CA-OD2 3.46Å; M424-D427 HydrophobicContact CB-CB 4.32Å; M424-D427 VanDerWaalsContact CB-OD2 3.26Å; M424-D427 WeakPolarHBondContact CB-OD2 3.45Å; M424-D427 VanDerWaalsContact CG-OD2 3.27Å; M424-D427 WeakPolarHBondContact CG-OD2 3.31Å; M424-D427 WeakPolarHBondContact O-CB 3.35Å; M424-D427 PolarHBondContact O-N 2.89Å; D427-Q431 HydrophobicContact CB-CB 4.39Å; D427-Q432 HydrophobicContact CB-CG 4.3Å; D427-Q432 PolarHBondContact O-NE2 3.4Å
428	T	94.4	Very high	93.9	Very high	84 Å²	84	60.4 Å²	60.4	52%	0.515	30%	0.301	S	S	.	.			trans	-64.7	144.7	176.6	68.7	0	0	0	0	111.1	G430 Q431 Q432	T428-G430 PolarHBondContact O-N 2.88Å; T428-G430 VanDerWaalsContact O-N 3.08Å; T428-Q431 VanDerWaalsContact N-OE1 3.13Å; T428-Q431 WeakPolarHBondContact O-CB 3.21Å; T428-Q431 PolarHBondContact O-N 3.47Å; T428-Q431 VanDerWaalsContact OG1-CD 3.31Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.35Å; T428-Q431 PolarHBondContact OG1-N 2.82Å; T428-Q431 PolarHBondContact OG1-OE1 2.91Å; T428-Q432 PolarHBondContact O-N 3.03Å
429	W	93.2	Very high	94	Very high	137 Å²	137	59.8 Å²	59.8	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-53.2	-34.5	179.7	71.7	-97.1	0	0	0	112.8	V250 F254 F255 Q432 Y433	V250-W429 HydrophobicContact CG1-CZ3 4.27Å; F254-W429 HydrophobicContact CB-CB 4Å; F255-W429 HydrophobicContact CE1-CD2 4.05Å; F255-W429 HydrophobicContact CE1-CE3 4.28Å; F255-W429 HydrophobicContact CE1-CG 4.39Å; W429-Q432 PolarHBondContact O-N 3.04Å; W429-Y433 VanDerWaalsContact O-CB 3.29Å; W429-Y433 WeakPolarHBondContact O-CB 3.35Å; W429-Y433 PolarHBondContact O-N 3.16Å
430	G	94.5	Very high	94.1	Very high	23 Å²	23	59.8 Å²	59.8	24%	0.237	30%	0.299	C	S	.	.	H	α-helix	trans	-67.5	-36.5	176.9	0	0	0	0	0	113.5	T428 S434	T428-G430 PolarHBondContact O-N 2.88Å; T428-G430 VanDerWaalsContact O-N 3.08Å; G430-S434 VanDerWaalsContact O-CB 3.22Å; G430-S434 WeakPolarHBondContact O-CB 3.38Å; G430-S434 PolarHBondContact O-N 3.36Å; G430-S434 PolarHBondContact O-OG 3.43Å
431	Q	94.3	Very high	94.3	Very high	102 Å²	102	61.7 Å²	61.7	48%	0.477	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-45.5	173.5	-70.7	163.6	-62.6	0	0	110.9	D427 T428 Y433 S434 Y435	D427-Q431 HydrophobicContact CB-CB 4.39Å; T428-Q431 VanDerWaalsContact N-OE1 3.13Å; T428-Q431 WeakPolarHBondContact O-CB 3.21Å; T428-Q431 PolarHBondContact O-N 3.47Å; T428-Q431 VanDerWaalsContact OG1-CD 3.31Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.35Å; T428-Q431 PolarHBondContact OG1-N 2.82Å; T428-Q431 PolarHBondContact OG1-OE1 2.91Å; Q431-Y433 PolarHBondContact O-N 3.49Å; Q431-S434 PolarHBondContact O-N 3.21Å; Q431-Y435 PolarHBondContact O-N 3.2Å
432	Q	95	Very high	94.6	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-49.5	176.9	-65.5	177.5	-22.8	0	0	111.4	F254 F405 M424 V425 D427 T428 W429 Y435 A436	F254-Q432 HydrophobicContact CD1-CB 3.84Å; F254-Q432 HydrophobicContact CE1-CB 3.75Å; F405-Q432 HydrophobicContact CE2-CB 3.91Å; F405-Q432 HydrophobicContact CE2-CG 4.15Å; F405-Q432 HydrophobicContact CZ-CB 4.17Å; F405-Q432 HydrophobicContact CZ-CG 4.32Å; M424-Q432 PolarHBondContact O-NE2 3.34Å; V425-Q432 PolarHBondContact O-NE2 3.38Å; V425-Q432 VanDerWaalsContact O-NE2 3.07Å; D427-Q432 HydrophobicContact CB-CG 4.3Å; D427-Q432 PolarHBondContact O-NE2 3.4Å; T428-Q432 PolarHBondContact O-N 3.03Å; W429-Q432 PolarHBondContact O-N 3.04Å; Q432-Y435 PolarHBondContact O-N 3.07Å; Q432-A436 WeakPolarHBondContact O-CB 3.42Å; Q432-A436 PolarHBondContact O-N 3.03Å
433	Y	96.8	Very high	94.8	Very high	48 Å²	48	56.5 Å²	56.5	19%	0.188	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-46.6	175.9	171.5	-108.9	0	0	0	112.5	V250 F254 H398 W429 Q431 Y435 A436 L437	V250-Y433 HydrophobicContact CG2-CD2 4.46Å; V250-Y433 HydrophobicContact CG2-CE2 4.25Å; F254-Y433 HydrophobicContact CD2-CD2 4.38Å; F254-Y433 AromaticContact CE2-CD2 3.65Å; F254-Y433 HydrophobicContact CE2-CD2 3.65Å; F254-Y433 HydrophobicContact CE2-CG 4.22Å; F254-Y433 HydrophobicContact CZ-CD2 4.04Å; F254-Y433 HydrophobicContact CZ-CG 4.46Å; H398-Y433 AromaticContact CE1-CE2 3.74Å; H398-Y433 AromaticContact CE1-CZ 4Å; H398-Y433 AromaticContact ND1-CE2 3.56Å; H398-Y433 AromaticContact ND1-CZ 3.64Å; H398-Y433 PolarHBondContact ND1-OH 3Å; W429-Y433 VanDerWaalsContact O-CB 3.29Å; W429-Y433 WeakPolarHBondContact O-CB 3.35Å; W429-Y433 PolarHBondContact O-N 3.16Å; Q431-Y433 PolarHBondContact O-N 3.49Å; Y433-Y435 VanDerWaalsContact C-N 3.3Å; Y433-Y435 PolarHBondContact O-N 2.97Å; Y433-A436 PolarHBondContact O-N 2.89Å; Y433-L437 HydrophobicContact CE1-CD2 4.26Å; Y433-L437 HydrophobicContact CE2-CB 4.46Å; Y433-L437 WeakPolarHBondContact O-CB 3.23Å; Y433-L437 PolarHBondContact O-N 3.32Å
434	S	96.4	Very high	95	Very high	71 Å²	71	48.6 Å²	48.6	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-40.4	-179.5	-61.5	0	0	0	0	111.9	G430 Q431 F438	G430-S434 VanDerWaalsContact O-CB 3.22Å; G430-S434 WeakPolarHBondContact O-CB 3.38Å; G430-S434 PolarHBondContact O-N 3.36Å; G430-S434 PolarHBondContact O-OG 3.43Å; Q431-S434 PolarHBondContact O-N 3.21Å; S434-F438 WeakPolarHBondContact O-CB 3.35Å; S434-F438 PolarHBondContact O-N 2.91Å
435	Y	95.8	Very high	95.2	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.141	26%	0.259	C	S	.	.	H	α-helix	trans	-70.6	-42	175.6	-169.6	-76.3	0	0	0	112.1	W418 N422 M424 Q431 Q432 Y433 L437 F438 K439 M451	W418-Y435 AromaticContact CE3-CD1 3.81Å; W418-Y435 HydrophobicContact CE3-CD1 3.81Å; W418-Y435 AromaticContact CE3-CE1 3.71Å; W418-Y435 HydrophobicContact CE3-CE1 3.71Å; W418-Y435 HydrophobicContact CH2-CD1 4.03Å; W418-Y435 AromaticContact CZ3-CD1 3.27Å; W418-Y435 HydrophobicContact CZ3-CD1 3.27Å; W418-Y435 AromaticContact CZ3-CE1 3.71Å; W418-Y435 HydrophobicContact CZ3-CE1 3.71Å; W418-Y435 HydrophobicContact CZ3-CG 4.24Å; N422-Y435 WeakPolarHBondContact ND2-CE1 3.14Å; N422-Y435 PolarHBondContact ND2-OH 3.28Å; M424-Y435 HydrophobicContact CE-CD1 3.76Å; M424-Y435 HydrophobicContact CE-CD2 3.94Å; M424-Y435 HydrophobicContact CE-CE1 4.24Å; M424-Y435 HydrophobicContact CE-CE2 4.39Å; M424-Y435 HydrophobicContact CE-CG 3.59Å; M424-Y435 HydrophobicContact SD-CD2 4.14Å; M424-Y435 HydrophobicContact SD-CG 4.3Å; Q431-Y435 PolarHBondContact O-N 3.2Å; Q432-Y435 PolarHBondContact O-N 3.07Å; Y433-Y435 VanDerWaalsContact C-N 3.3Å; Y433-Y435 PolarHBondContact O-N 2.97Å; Y435-L437 VanDerWaalsContact C-N 3.34Å; Y435-L437 PolarHBondContact O-N 3.18Å; Y435-F438 WeakPolarHBondContact O-CB 3.38Å; Y435-F438 PolarHBondContact O-N 2.86Å; Y435-K439 HydrophobicContact CE1-CB 4.49Å; Y435-K439 PolarHBondContact O-N 3.21Å; Y435-M451 HydrophobicContact CE2-CG 3.91Å; Y435-M451 VanDerWaalsContact OH-CB 3.27Å; Y435-M451 WeakPolarHBondContact OH-CB 3.41Å; Y435-M451 VanDerWaalsContact OH-CG 3.24Å; Y435-M451 WeakPolarHBondContact OH-CG 3.27Å; Y435-M451 PolarHBondContact OH-N 2.91Å
436	A	96.1	Very high	95.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-43.3	178.4	0	0	0	0	0	111.5	F254 G401 F405 W418 Q432 Y433 K439 A440	F254-A436 HydrophobicContact CZ-CB 4.27Å; G401-A436 WeakPolarHBondContact CA-O 3.22Å; G401-A436 WeakPolarHBondContact O-CB 3.3Å; F405-A436 HydrophobicContact CB-CB 4.21Å; W418-A436 HydrophobicContact CH2-CB 3.83Å; W418-A436 HydrophobicContact CZ2-CB 4.1Å; Q432-A436 WeakPolarHBondContact O-CB 3.42Å; Q432-A436 PolarHBondContact O-N 3.03Å; Y433-A436 PolarHBondContact O-N 2.89Å; A436-K439 PolarHBondContact O-N 2.84Å; A436-A440 PolarHBondContact O-N 2.74Å
437	L	96.7	Very high	95.6	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-41.7	172.9	-177.1	68.4	0	0	0	111.8	H398 Y433 Y435 A440 M441	H398-L437 HydrophobicContact CB-CD1 4.49Å; Y433-L437 HydrophobicContact CE1-CD2 4.26Å; Y433-L437 HydrophobicContact CE2-CB 4.46Å; Y433-L437 WeakPolarHBondContact O-CB 3.23Å; Y433-L437 PolarHBondContact O-N 3.32Å; Y435-L437 VanDerWaalsContact C-N 3.34Å; Y435-L437 PolarHBondContact O-N 3.18Å; L437-A440 PolarHBondContact O-N 3.23Å; L437-M441 VanDerWaalsContact O-CB 3.26Å; L437-M441 WeakPolarHBondContact O-CB 3.29Å; L437-M441 PolarHBondContact O-N 3.29Å
438	F	96.5	Very high	95.2	Very high	112 Å²	112	50.5 Å²	50.5	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-44.5	173.6	166.6	-108	0	0	0	111.8	S434 Y435 M441 S442	S434-F438 WeakPolarHBondContact O-CB 3.35Å; S434-F438 PolarHBondContact O-N 2.91Å; Y435-F438 WeakPolarHBondContact O-CB 3.38Å; Y435-F438 PolarHBondContact O-N 2.86Å; F438-M441 PolarHBondContact O-N 3.39Å; F438-S442 WeakPolarHBondContact O-CB 3.5Å; F438-S442 PolarHBondContact O-N 3.36Å; F438-S442 PolarHBondContact O-OG 2.86Å
439	K	95.4	Very high	94.7	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-44.5	177.7	-170.1	169.7	179.3	-92.3	0	111.7	Q404 W418 Y435 A436 S442 H443 Y449 T463	Q404-K439 VanDerWaalsContact OE1-CD 3.31Å; Q404-K439 VanDerWaalsContact OE1-CG 3.3Å; W418-K439 HydrophobicContact CD2-CD 4.43Å; W418-K439 HydrophobicContact CG-CD 4.47Å; Y435-K439 HydrophobicContact CE1-CB 4.49Å; Y435-K439 PolarHBondContact O-N 3.21Å; A436-K439 PolarHBondContact O-N 2.84Å; K439-S442 WeakPolarHBondContact CA-OG 3.37Å; K439-S442 PolarHBondContact O-N 3.41Å; K439-S442 PolarHBondContact O-OG 2.92Å; K439-H443 PolarHBondContact O-N 3.26Å; K439-H443 PolarHBondContact O-ND1 3.25Å; K439-Y449 WeakPolarHBondContact CE-O 3.33Å; K439-T463 PolarHBondContact NZ-OG1 3.11Å; K439-T463 VanDerWaalsContact NZ-OG1 3.07Å
440	A	96.6	Very high	94.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-47.6	172.9	0	0	0	0	0	113	C397 D400 G401 A436 L437 S442 H443 M444	C397-A440 WeakPolarHBondContact O-CB 3.29Å; D400-A440 HydrophobicContact CB-CB 4.04Å; D400-A440 WeakPolarHBondContact OD2-CA 3.39Å; D400-A440 WeakPolarHBondContact OD2-CB 3.47Å; G401-A440 VanDerWaalsContact N-CB 3.32Å; A436-A440 PolarHBondContact O-N 2.74Å; L437-A440 PolarHBondContact O-N 3.23Å; A440-S442 VanDerWaalsContact C-N 3.27Å; A440-S442 PolarHBondContact O-N 3.36Å; A440-H443 PolarHBondContact O-N 3.44Å; A440-M444 WeakPolarHBondContact O-CB 2.98Å; A440-M444 PolarHBondContact O-N 2.97Å
441	M	96.6	Very high	93.8	Very high	68 Å²	68	51 Å²	51	34%	0.335	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-35.9	178	-168	178.4	-65.3	0	0	111.9	C397 L437 F438 M444 L445	C397-M441 VanDerWaalsContact SG-CA 3.55Å; L437-M441 VanDerWaalsContact O-CB 3.26Å; L437-M441 WeakPolarHBondContact O-CB 3.29Å; L437-M441 PolarHBondContact O-N 3.29Å; F438-M441 PolarHBondContact O-N 3.39Å; M441-M444 PolarHBondContact O-N 2.88Å; M441-L445 HydrophobicContact CG-CD1 3.84Å; M441-L445 HydrophobicContact CG-CG 4.26Å; M441-L445 WeakPolarHBondContact O-CB 3.15Å; M441-L445 PolarHBondContact O-N 3.17Å; M441-L445 HydrophobicContact SD-CD1 4.4Å
442	S	96.4	Very high	93.3	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-29.7	177.6	67.7	0	0	0	0	113.6	F438 K439 A440 I447 G448	F438-S442 WeakPolarHBondContact O-CB 3.5Å; F438-S442 PolarHBondContact O-N 3.36Å; F438-S442 PolarHBondContact O-OG 2.86Å; K439-S442 WeakPolarHBondContact CA-OG 3.37Å; K439-S442 PolarHBondContact O-N 3.41Å; K439-S442 PolarHBondContact O-OG 2.92Å; A440-S442 VanDerWaalsContact C-N 3.27Å; A440-S442 PolarHBondContact O-N 3.36Å; S442-I447 WeakPolarHBondContact O-CA 3.32Å; S442-I447 PolarHBondContact O-N 2.97Å; S442-G448 CarbonylContact C-O 3.58Å; S442-G448 VanDerWaalsContact C-O 3.28Å; S442-G448 WeakPolarHBondContact CB-O 3.3Å; S442-G448 PolarHBondContact O-N 3.12Å; S442-G448 PolarHBondContact OG-O 3.43Å
443	H	96.1	Very high	93	Very high	4 Å²	4	56 Å²	56	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-73.5	-44.9	166.8	-53	144.7	0	0	0	110.9	Q404 K439 A440 L445 C446 G448 Y449 T463 S466 M467	Q404-H443 PolarHBondContact NE2-CE1 3.34Å; Q404-H443 PolarHBondContact NE2-ND1 3.22Å; Q404-H443 PolarHBondContact OE1-CE1 2.88Å; K439-H443 PolarHBondContact O-N 3.26Å; K439-H443 PolarHBondContact O-ND1 3.25Å; A440-H443 PolarHBondContact O-N 3.44Å; H443-L445 PolarHBondContact O-N 2.96Å; H443-C446 PolarHBondContact O-N 3.37Å; H443-G448 PolarHBondContact CD2-O 3.43Å; H443-G448 PolarHBondContact N-O 2.9Å; H443-Y449 AromaticContact CD2-CD1 3.9Å; H443-Y449 AromaticContact NE2-CD1 3.73Å; H443-T463 PolarHBondContact CE1-OG1 3.39Å; H443-T463 PolarHBondContact NE2-OG1 2.81Å; H443-S466 WeakPolarHBondContact CB-OG 3.41Å; H443-S466 WeakPolarHBondContact ND1-CB 3.37Å; H443-S466 PolarHBondContact ND1-OG 2.98Å; H443-M467 HydrophobicContact CB-CG 4.14Å
444	M	96.3	Very high	92.8	Very high	12 Å²	12	55 Å²	55	6%	0.059	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-42.4	-176	-175.1	177.7	72.6	0	0	113.6	M393 C397 A440 M441 C446	M393-M444 HydrophobicContact CG-CE 3.7Å; M393-M444 HydrophobicContact CG-CG 4.46Å; M393-M444 HydrophobicContact CG-SD 3.38Å; M393-M444 WeakPolarHBondContact CG-SD 3.26Å; M393-M444 HydrophobicContact SD-CE 4.29Å; M393-M444 HydrophobicContact SD-SD 4.34Å; C397-M444 HydrophobicContact CB-CE 3.6Å; C397-M444 HydrophobicContact CB-SD 3.69Å; A440-M444 WeakPolarHBondContact O-CB 2.98Å; A440-M444 PolarHBondContact O-N 2.97Å; M441-M444 PolarHBondContact O-N 2.88Å; M444-C446 PolarHBondContact O-N 3.05Å
445	L	95.9	Very high	92.6	Very high	66 Å²	66	55.9 Å²	55.9	35%	0.346	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	12.9	176.9	-58.2	-179.4	0	0	0	112.8	M441 H443 I447 Y474	M441-L445 HydrophobicContact CG-CD1 3.84Å; M441-L445 HydrophobicContact CG-CG 4.26Å; M441-L445 WeakPolarHBondContact O-CB 3.15Å; M441-L445 PolarHBondContact O-N 3.17Å; M441-L445 HydrophobicContact SD-CD1 4.4Å; H443-L445 PolarHBondContact O-N 2.96Å; L445-I447 VanDerWaalsContact C-N 3.32Å; L445-I447 HydrophobicContact CB-CD1 3.96Å; L445-I447 HydrophobicContact CB-CG1 4.02Å; L445-I447 PolarHBondContact O-N 3.07Å; L445-Y474 HydrophobicContact CD2-CD2 4.29Å
446	C	95.5	Very high	92.5	Very high	83 Å²	83	54.3 Å²	54.3	56%	0.561	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	36.6	176.7	-58.7	0	0	0	0	114.5	H443 M444	H443-C446 PolarHBondContact O-N 3.37Å; M444-C446 PolarHBondContact O-N 3.05Å
447	I	95.6	Very high	92.3	Very high	133 Å²	133	61.1 Å²	61.1	68%	0.682	33%	0.325	S	S	*	.			trans	-93.5	-45.2	-176.8	-55.7	176.4	0	0	0	112.2	S442 L445	S442-I447 WeakPolarHBondContact O-CA 3.32Å; S442-I447 PolarHBondContact O-N 2.97Å; L445-I447 VanDerWaalsContact C-N 3.32Å; L445-I447 HydrophobicContact CB-CD1 3.96Å; L445-I447 HydrophobicContact CB-CG1 4.02Å; L445-I447 PolarHBondContact O-N 3.07Å
448	G	85.6	Confident	92.1	Very high	26 Å²	26	61.2 Å²	61.2	27%	0.268	33%	0.327	S	S	.	.			trans	161.1	-162	-174.4	0	0	0	0	0	115.2	S442 H443	S442-G448 CarbonylContact C-O 3.58Å; S442-G448 VanDerWaalsContact C-O 3.28Å; S442-G448 WeakPolarHBondContact CB-O 3.3Å; S442-G448 PolarHBondContact O-N 3.12Å; S442-G448 PolarHBondContact OG-O 3.43Å; H443-G448 PolarHBondContact CD2-O 3.43Å; H443-G448 PolarHBondContact N-O 2.9Å
449	Y	83.9	Confident	92	Very high	100 Å²	100	56 Å²	56	39%	0.392	31%	0.305	S	S	.	.			trans	-109.1	1.7	-165.2	-57.2	-66.5	0	0	0	115.7	K439 H443 T463 M467	K439-Y449 WeakPolarHBondContact CE-O 3.33Å; H443-Y449 AromaticContact CD2-CD1 3.9Å; H443-Y449 AromaticContact NE2-CD1 3.73Å; Y449-T463 HydrophobicContact CD1-CG2 3.51Å; Y449-T463 HydrophobicContact CE1-CG2 3.45Å; Y449-T463 VanDerWaalsContact CE1-CG2 3.45Å; Y449-M467 HydrophobicContact CE1-SD 3.61Å
450	G	83.3	Confident	92	Very high	30 Å²	30	57.9 Å²	57.9	31%	0.309	32%	0.317	S	S	.	.	S	Bend	trans	90.6	-149	-164.8	0	0	0	0	0	112.6
451	M	84.2	Confident	92	Very high	125 Å²	125	66.4 Å²	66.4	62%	0.616	35%	0.349	S	S	*	.	S	Bend	trans	-70	-31.2	-174.5	-72.7	-68.2	-65.8	0	0	113.8	Y435	Y435-M451 HydrophobicContact CE2-CG 3.91Å; Y435-M451 VanDerWaalsContact OH-CB 3.27Å; Y435-M451 WeakPolarHBondContact OH-CB 3.41Å; Y435-M451 VanDerWaalsContact OH-CG 3.24Å; Y435-M451 WeakPolarHBondContact OH-CG 3.27Å; Y435-M451 PolarHBondContact OH-N 2.91Å
452	Y	85.2	Confident	91.8	Very high	133 Å²	133	64.2 Å²	64.2	52%	0.522	34%	0.338	S	S	.	.	S	Bend	trans	-141.5	149.1	-177.6	-57.1	-69.8	0	0	0	109.5	N422	N422-Y452 VanDerWaalsContact OD1-CD2 3.3Å; N422-Y452 WeakPolarHBondContact OD1-CD2 3.46Å; N422-Y452 WeakPolarHBondContact OD1-CE2 3.41Å
453	P	88.9	Confident	91.8	Very high	83 Å²	83	64.2 Å²	64.2	54%	0.539	34%	0.338	S	S	.	.			trans	-62.4	153.5	168.4	29	-35.3	0	0	0	110.7
454	P	92.8	Very high	91.8	Very high	27 Å²	27	67.3 Å²	67.3	18%	0.175	35%	0.354	C	S	.	.			trans	-61.7	143.1	172.7	29.3	-36.7	0	0	0	110.6	D459 V460 T463	P454-D459 HydrophobicContact CB-CB 3.72Å; P454-V460 HydrophobicContact CB-CB 4.47Å; P454-V460 HydrophobicContact CB-CG2 3.85Å; P454-V460 HydrophobicContact CG-CG2 4.06Å; P454-T463 HydrophobicContact CG-CG2 4.03Å
455	V	91.4	Very high	91.8	Very high	89 Å²	89	70.9 Å²	70.9	54%	0.539	37%	0.373	S	S	.	.			trans	-129.6	-41	-179.3	177.8	0	0	0	0	112	K421	K421-V455 VanDerWaalsContact NZ-CB 3.26Å; K421-V455 VanDerWaalsContact NZ-CG2 3.31Å
456	G	93	Very high	91.8	Very high	2 Å²	2	67.9 Å²	67.9	2%	0.021	36%	0.357	C	S	.	.	S	Bend	trans	-66.2	137.9	168.1	0	0	0	0	0	111	D416 T458 D459 V460	D416-G456 WeakPolarHBondContact OD2-CA 3.46Å; G456-T458 PolarHBondContact O-N 2.79Å; G456-D459 WeakPolarHBondContact O-CB 3.45Å; G456-D459 PolarHBondContact O-N 2.56Å; G456-V460 PolarHBondContact O-N 3.33Å
457	M	93.1	Very high	91.9	Very high	143 Å²	143	67.5 Å²	67.5	70%	0.704	35%	0.348	S	S	*	.	H	α-helix	trans	-56.2	-35.8	-176.4	-74	-68.7	-165.6	0	0	112.6	V460 W461	M457-V460 PolarHBondContact O-N 3.45Å; M457-W461 VanDerWaalsContact O-CD1 3.26Å; M457-W461 PolarHBondContact O-N 2.92Å; M457-W461 VanDerWaalsContact O-N 3.14Å
458	T	92.8	Very high	91.9	Very high	40 Å²	40	66.1 Å²	66.1	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-51.4	172.9	-46.6	0	0	0	0	111.6	V407 Q411 G456 V460 W461 L462	V407-T458 HydrophobicContact CB-CG2 4.33Å; V407-T458 HydrophobicContact CG1-CG2 3.44Å; V407-T458 VanDerWaalsContact CG1-CG2 3.44Å; Q411-T458 PolarHBondContact NE2-OG1 2.73Å; Q411-T458 VanDerWaalsContact NE2-OG1 3.09Å; Q411-T458 PolarHBondContact OE1-OG1 3.46Å; G456-T458 PolarHBondContact O-N 2.79Å; T458-V460 VanDerWaalsContact C-N 3.32Å; T458-V460 PolarHBondContact O-N 2.92Å; T458-W461 PolarHBondContact O-N 3.42Å; T458-L462 HydrophobicContact CG2-CD1 3.99Å; T458-L462 VanDerWaalsContact O-CG 3.31Å; T458-L462 WeakPolarHBondContact O-CG 3.24Å; T458-L462 PolarHBondContact O-N 2.95Å; T458-L462 VanDerWaalsContact O-N 3.07Å
459	D	93.1	Very high	92.4	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-66.5	-34.3	-178.4	-74.2	-3.3	0	0	0	111.8	C417 W418 P454 G456 T463	C417-D459 VanDerWaalsContact CA-OD2 3.26Å; C417-D459 WeakPolarHBondContact CA-OD2 3.34Å; W418-D459 PolarHBondContact N-OD2 3.39Å; P454-D459 HydrophobicContact CB-CB 3.72Å; G456-D459 WeakPolarHBondContact O-CB 3.45Å; G456-D459 PolarHBondContact O-N 2.56Å; D459-T463 VanDerWaalsContact O-CB 3.31Å; D459-T463 WeakPolarHBondContact O-CB 2.92Å; D459-T463 PolarHBondContact O-N 2.96Å
460	V	95.3	Very high	93	Very high	43 Å²	43	63.1 Å²	63.1	26%	0.261	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-51.4	177	174	0	0	0	0	110.3	P454 G456 M457 T458 L462 T463 I464	P454-V460 HydrophobicContact CB-CB 4.47Å; P454-V460 HydrophobicContact CB-CG2 3.85Å; P454-V460 HydrophobicContact CG-CG2 4.06Å; G456-V460 PolarHBondContact O-N 3.33Å; M457-V460 PolarHBondContact O-N 3.45Å; T458-V460 VanDerWaalsContact C-N 3.32Å; T458-V460 PolarHBondContact O-N 2.92Å; V460-L462 PolarHBondContact O-N 3.33Å; V460-T463 PolarHBondContact O-N 2.91Å; V460-I464 HydrophobicContact CG1-CD1 3.84Å; V460-I464 VanDerWaalsContact O-CG1 3.3Å; V460-I464 WeakPolarHBondContact O-CG1 3.4Å; V460-I464 PolarHBondContact O-N 3.13Å
461	W	96	Very high	93.6	Very high	179 Å²	179	63.9 Å²	63.9	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-64.9	-37.6	179.1	-77.1	111.1	0	0	0	112.9	M457 T458 I464 L465	M457-W461 VanDerWaalsContact O-CD1 3.26Å; M457-W461 PolarHBondContact O-N 2.92Å; M457-W461 VanDerWaalsContact O-N 3.14Å; T458-W461 PolarHBondContact O-N 3.42Å; W461-I464 HydrophobicContact CE3-CD1 4.39Å; W461-I464 PolarHBondContact O-N 3.34Å; W461-L465 WeakPolarHBondContact O-CB 3.41Å; W461-L465 PolarHBondContact O-N 3.42Å
462	L	94.4	Very high	94.1	Very high	23 Å²	23	62 Å²	62	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-42.7	175	-70.3	169.3	0	0	0	112.2	L403 V407 T458 V460 L465 S466	L403-L462 HydrophobicContact CD2-CD2 4.32Å; L403-L462 HydrophobicContact CG-CD2 4.2Å; V407-L462 HydrophobicContact CB-CD1 3.74Å; V407-L462 HydrophobicContact CG1-CD1 4.21Å; V407-L462 HydrophobicContact CG2-CD1 3.94Å; V407-L462 HydrophobicContact CG2-CD2 4.21Å; T458-L462 HydrophobicContact CG2-CD1 3.99Å; T458-L462 VanDerWaalsContact O-CG 3.31Å; T458-L462 WeakPolarHBondContact O-CG 3.24Å; T458-L462 PolarHBondContact O-N 2.95Å; T458-L462 VanDerWaalsContact O-N 3.07Å; V460-L462 PolarHBondContact O-N 3.33Å; L462-L465 PolarHBondContact O-N 2.81Å; L462-S466 WeakPolarHBondContact O-CB 3.26Å; L462-S466 PolarHBondContact O-N 2.84Å
463	T	95.4	Very high	94.6	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-40.5	173.5	-88.1	0	0	0	0	111.4	K439 H443 Y449 P454 D459 V460 S466 M467	K439-T463 PolarHBondContact NZ-OG1 3.11Å; K439-T463 VanDerWaalsContact NZ-OG1 3.07Å; H443-T463 PolarHBondContact CE1-OG1 3.39Å; H443-T463 PolarHBondContact NE2-OG1 2.81Å; Y449-T463 HydrophobicContact CD1-CG2 3.51Å; Y449-T463 HydrophobicContact CE1-CG2 3.45Å; Y449-T463 VanDerWaalsContact CE1-CG2 3.45Å; P454-T463 HydrophobicContact CG-CG2 4.03Å; D459-T463 VanDerWaalsContact O-CB 3.31Å; D459-T463 WeakPolarHBondContact O-CB 2.92Å; D459-T463 PolarHBondContact O-N 2.96Å; V460-T463 PolarHBondContact O-N 2.91Å; T463-S466 PolarHBondContact O-N 3.44Å; T463-M467 HydrophobicContact CG2-CG 4.46Å; T463-M467 HydrophobicContact CG2-SD 4.02Å; T463-M467 WeakPolarHBondContact O-CB 3.36Å; T463-M467 VanDerWaalsContact O-CG 3.25Å; T463-M467 WeakPolarHBondContact O-CG 3.09Å; T463-M467 PolarHBondContact O-N 2.9Å
464	I	96.3	Very high	94.9	Very high	69 Å²	69	57.5 Å²	57.5	35%	0.354	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-46.9	176	-70.3	165.6	0	0	0	111.1	V460 W461 M467 I468	V460-I464 HydrophobicContact CG1-CD1 3.84Å; V460-I464 VanDerWaalsContact O-CG1 3.3Å; V460-I464 WeakPolarHBondContact O-CG1 3.4Å; V460-I464 PolarHBondContact O-N 3.13Å; W461-I464 HydrophobicContact CE3-CD1 4.39Å; W461-I464 PolarHBondContact O-N 3.34Å; I464-M467 PolarHBondContact O-N 3.34Å; I464-I468 HydrophobicContact CG2-CD1 3.89Å; I464-I468 WeakPolarHBondContact O-CG1 3.43Å; I464-I468 PolarHBondContact O-N 3.01Å
465	L	96	Very high	95	Very high	87 Å²	87	59.3 Å²	59.3	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-48.6	176.6	177.4	62.1	0	0	0	111.5	W461 L462 M467 I468 V469	W461-L465 WeakPolarHBondContact O-CB 3.41Å; W461-L465 PolarHBondContact O-N 3.42Å; L462-L465 PolarHBondContact O-N 2.81Å; L465-M467 VanDerWaalsContact C-N 3.35Å; L465-M467 PolarHBondContact O-N 3.39Å; L465-I468 PolarHBondContact O-N 3.01Å; L465-V469 HydrophobicContact CD1-CG2 4.31Å; L465-V469 WeakPolarHBondContact O-CG2 3.4Å; L465-V469 PolarHBondContact O-N 3.5Å
466	S	96.3	Very high	95.1	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-42.6	177.4	179.1	0	0	0	0	112.3	D400 Q404 H443 L462 T463 G470	D400-S466 VanDerWaalsContact OD1-CB 3.23Å; D400-S466 WeakPolarHBondContact OD1-CB 3.45Å; D400-S466 PolarHBondContact OD1-OG 2.87Å; D400-S466 WeakPolarHBondContact OD2-CB 3.46Å; D400-S466 PolarHBondContact OD2-OG 3.3Å; Q404-S466 PolarHBondContact NE2-OG 3.21Å; H443-S466 WeakPolarHBondContact CB-OG 3.41Å; H443-S466 WeakPolarHBondContact ND1-CB 3.37Å; H443-S466 PolarHBondContact ND1-OG 2.98Å; L462-S466 WeakPolarHBondContact O-CB 3.26Å; L462-S466 PolarHBondContact O-N 2.84Å; T463-S466 PolarHBondContact O-N 3.44Å; S466-G470 WeakPolarHBondContact O-CA 3.26Å; S466-G470 PolarHBondContact O-N 3.34Å
467	M	96.4	Very high	95.1	Very high	75 Å²	75	62.4 Å²	62.4	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.8	-74.2	175.5	73	0	0	112.9	H443 Y449 T463 I464 L465 G470 A471	H443-M467 HydrophobicContact CB-CG 4.14Å; Y449-M467 HydrophobicContact CE1-SD 3.61Å; T463-M467 HydrophobicContact CG2-CG 4.46Å; T463-M467 HydrophobicContact CG2-SD 4.02Å; T463-M467 WeakPolarHBondContact O-CB 3.36Å; T463-M467 VanDerWaalsContact O-CG 3.25Å; T463-M467 WeakPolarHBondContact O-CG 3.09Å; T463-M467 PolarHBondContact O-N 2.9Å; I464-M467 PolarHBondContact O-N 3.34Å; L465-M467 VanDerWaalsContact C-N 3.35Å; L465-M467 PolarHBondContact O-N 3.39Å; M467-G470 PolarHBondContact O-N 3.48Å; M467-A471 VanDerWaalsContact O-CB 3.29Å; M467-A471 WeakPolarHBondContact O-CB 3.34Å; M467-A471 PolarHBondContact O-N 3.38Å
468	I	96.9	Very high	95.2	Very high	104 Å²	104	58.5 Å²	58.5	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-48.2	-179.8	-68.6	165.3	0	0	0	110.7	I464 L465 G470 T472	I464-I468 HydrophobicContact CG2-CD1 3.89Å; I464-I468 WeakPolarHBondContact O-CG1 3.43Å; I464-I468 PolarHBondContact O-N 3.01Å; L465-I468 PolarHBondContact O-N 3.01Å; I468-G470 VanDerWaalsContact C-N 3.33Å; I468-T472 WeakPolarHBondContact O-CB 3.41Å; I468-T472 PolarHBondContact O-N 3.08Å; I468-T472 PolarHBondContact O-OG1 3.47Å
469	V	95.8	Very high	95.2	Very high	61 Å²	61	58.6 Å²	58.6	37%	0.37	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-47	174.7	174.2	0	0	0	0	109.8	L465 T472 C473	L465-V469 HydrophobicContact CD1-CG2 4.31Å; L465-V469 WeakPolarHBondContact O-CG2 3.4Å; L465-V469 PolarHBondContact O-N 3.5Å; V469-T472 PolarHBondContact O-N 3.32Å; V469-C473 PolarHBondContact O-N 3.37Å; V469-C473 PolarHBondContact O-SG 3.17Å; V469-C473 VanDerWaalsContact O-SG 3.33Å
470	G	95.7	Very high	95	Very high	3 Å²	3	60.7 Å²	60.7	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-56.9	-179.2	0	0	0	0	0	114.2	S466 M467 I468 T472 C473 Y474	S466-G470 WeakPolarHBondContact O-CA 3.26Å; S466-G470 PolarHBondContact O-N 3.34Å; M467-G470 PolarHBondContact O-N 3.48Å; I468-G470 VanDerWaalsContact C-N 3.33Å; G470-T472 VanDerWaalsContact C-N 3.26Å; G470-T472 PolarHBondContact O-N 2.84Å; G470-C473 PolarHBondContact O-N 3.03Å; G470-Y474 PolarHBondContact O-N 3.29Å
471	A	96.2	Very high	94.7	Very high	45 Å²	45	59.6 Å²	59.6	37%	0.372	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-35.5	178.5	0	0	0	0	0	112.2	M467 Y474 A475	M467-A471 VanDerWaalsContact O-CB 3.29Å; M467-A471 WeakPolarHBondContact O-CB 3.34Å; M467-A471 PolarHBondContact O-N 3.38Å; A471-Y474 PolarHBondContact O-N 2.79Å; A471-A475 WeakPolarHBondContact O-CB 3.47Å; A471-A475 PolarHBondContact O-N 3.41Å
472	T	95.8	Very high	94.4	Very high	85 Å²	85	54.1 Å²	54.1	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-47.4	175.6	-55.3	0	0	0	0	111.3	I468 V469 G470 Y474 A475 M476	I468-T472 WeakPolarHBondContact O-CB 3.41Å; I468-T472 PolarHBondContact O-N 3.08Å; I468-T472 PolarHBondContact O-OG1 3.47Å; V469-T472 PolarHBondContact O-N 3.32Å; G470-T472 VanDerWaalsContact C-N 3.26Å; G470-T472 PolarHBondContact O-N 2.84Å; T472-Y474 PolarHBondContact O-N 2.84Å; T472-A475 PolarHBondContact O-N 3.43Å; T472-M476 WeakPolarHBondContact O-CG 3.45Å; T472-M476 PolarHBondContact O-N 2.92Å
473	C	94	Very high	94	Very high	22 Å²	22	55 Å²	55	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-42.4	175.4	-70.7	0	0	0	0	112.1	M393 V469 G470 M476 F477	M393-C473 HydrophobicContact CG-CB 4.47Å; V469-C473 PolarHBondContact O-N 3.37Å; V469-C473 PolarHBondContact O-SG 3.17Å; V469-C473 VanDerWaalsContact O-SG 3.33Å; G470-C473 PolarHBondContact O-N 3.03Å; C473-M476 PolarHBondContact O-N 2.83Å; C473-F477 WeakPolarHBondContact O-CB 3.49Å; C473-F477 PolarHBondContact O-N 3.38Å
474	Y	95.4	Very high	93.5	Very high	101 Å²	101	55.7 Å²	55.7	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-66.6	-41.6	178.2	-173.8	-105.1	0	0	0	112.5	L445 G470 A471 T472 M476 F477 V478	L445-Y474 HydrophobicContact CD2-CD2 4.29Å; G470-Y474 PolarHBondContact O-N 3.29Å; A471-Y474 PolarHBondContact O-N 2.79Å; T472-Y474 PolarHBondContact O-N 2.84Å; Y474-M476 PolarHBondContact O-N 3.48Å; Y474-F477 WeakPolarHBondContact O-CB 3.5Å; Y474-F477 PolarHBondContact O-N 3.42Å; Y474-V478 HydrophobicContact CD1-CG2 4.34Å; Y474-V478 HydrophobicContact CE1-CG2 3.94Å; Y474-V478 HydrophobicContact CE2-CG2 4.48Å; Y474-V478 WeakPolarHBondContact O-CG2 3.3Å; Y474-V478 PolarHBondContact O-N 3.29Å
475	A	96.2	Very high	93	Very high	64 Å²	64	58.3 Å²	58.3	53%	0.529	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-42.9	174.5	0	0	0	0	0	112	A471 T472 V478 G479	A471-A475 WeakPolarHBondContact O-CB 3.47Å; A471-A475 PolarHBondContact O-N 3.41Å; T472-A475 PolarHBondContact O-N 3.43Å; A475-V478 PolarHBondContact O-N 3.5Å; A475-G479 PolarHBondContact O-N 2.82Å
476	M	92.6	Very high	92.5	Very high	101 Å²	101	59.3 Å²	59.3	50%	0.498	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-43.8	173.3	-71.6	-62.9	-68.5	0	0	111.7	T472 C473 Y474 V478 G479 H480	T472-M476 WeakPolarHBondContact O-CG 3.45Å; T472-M476 PolarHBondContact O-N 2.92Å; C473-M476 PolarHBondContact O-N 2.83Å; Y474-M476 PolarHBondContact O-N 3.48Å; M476-V478 PolarHBondContact O-N 3.21Å; M476-G479 PolarHBondContact O-N 2.95Å; M476-H480 PolarHBondContact O-CD2 2.83Å; M476-H480 VanDerWaalsContact O-CD2 3.26Å; M476-H480 PolarHBondContact O-N 3.03Å
477	F	94.5	Very high	91.7	Very high	55 Å²	55	61.8 Å²	61.8	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-57.4	-48	175.3	174	-100.8	0	0	0	112.3	I386 L389 I390 M393 C473 Y474 G479 H480 A481	I386-F477 HydrophobicContact CD1-CE2 4.31Å; I386-F477 HydrophobicContact CG1-CE2 4.4Å; L389-F477 HydrophobicContact CD2-CB 4.42Å; I390-F477 HydrophobicContact CD1-CE2 4.17Å; I390-F477 HydrophobicContact CG1-CD2 4.27Å; I390-F477 HydrophobicContact CG1-CE2 3.89Å; M393-F477 HydrophobicContact SD-CB 4.39Å; C473-F477 WeakPolarHBondContact O-CB 3.49Å; C473-F477 PolarHBondContact O-N 3.38Å; Y474-F477 WeakPolarHBondContact O-CB 3.5Å; Y474-F477 PolarHBondContact O-N 3.42Å; F477-G479 VanDerWaalsContact C-N 3.33Å; F477-G479 PolarHBondContact O-N 3.22Å; F477-H480 PolarHBondContact O-N 3.43Å; F477-A481 VanDerWaalsContact O-CB 3.27Å; F477-A481 WeakPolarHBondContact O-CB 3.43Å; F477-A481 PolarHBondContact O-N 3.41Å
478	V	94.2	Very high	91	Very high	62 Å²	62	63.1 Å²	63.1	38%	0.376	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-40.3	176.5	173	0	0	0	0	111.6	Y474 A475 M476 T482	Y474-V478 HydrophobicContact CD1-CG2 4.34Å; Y474-V478 HydrophobicContact CE1-CG2 3.94Å; Y474-V478 HydrophobicContact CE2-CG2 4.48Å; Y474-V478 WeakPolarHBondContact O-CG2 3.3Å; Y474-V478 PolarHBondContact O-N 3.29Å; A475-V478 PolarHBondContact O-N 3.5Å; M476-V478 PolarHBondContact O-N 3.21Å; V478-T482 WeakPolarHBondContact O-CB 3.41Å; V478-T482 PolarHBondContact O-N 3.45Å; V478-T482 PolarHBondContact O-OG1 3.22Å
479	G	92.8	Very high	90.1	Very high	41 Å²	41	61.3 Å²	61.3	42%	0.423	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-50.3	175.4	0	0	0	0	0	113.1	A475 M476 F477 T482 A483	A475-G479 PolarHBondContact O-N 2.82Å; M476-G479 PolarHBondContact O-N 2.95Å; F477-G479 VanDerWaalsContact C-N 3.33Å; F477-G479 PolarHBondContact O-N 3.22Å; G479-T482 PolarHBondContact O-N 2.76Å; G479-A483 PolarHBondContact O-N 3.26Å
480	H	88.8	Confident	89.5	Confident	49 Å²	49	61.5 Å²	61.5	23%	0.227	36%	0.363	C	S	.	.	H	α-helix	trans	-67.4	-37.9	178.9	-79.7	-83	0	0	0	112.8	L389 M476 F477 A483 L484	L389-H480 HydrophobicContact CD2-CB 3.59Å; L389-H480 VanDerWaalsContact CD2-CD2 3.47Å; L389-H480 WeakPolarHBondContact CD2-CD2 3.26Å; M476-H480 PolarHBondContact O-CD2 2.83Å; M476-H480 VanDerWaalsContact O-CD2 3.26Å; M476-H480 PolarHBondContact O-N 3.03Å; F477-H480 PolarHBondContact O-N 3.43Å; H480-A483 PolarHBondContact O-N 3.24Å; H480-L484 WeakPolarHBondContact O-CB 3.45Å; H480-L484 PolarHBondContact O-N 2.77Å
481	A	89.2	Confident	89	Confident	20 Å²	20	62.4 Å²	62.4	17%	0.165	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-41.1	173	0	0	0	0	0	111.7	I386 F477 L484 I485	I386-A481 HydrophobicContact CD1-CB 4.19Å; F477-A481 VanDerWaalsContact O-CB 3.27Å; F477-A481 WeakPolarHBondContact O-CB 3.43Å; F477-A481 PolarHBondContact O-N 3.41Å; A481-L484 PolarHBondContact O-N 3.28Å; A481-I485 WeakPolarHBondContact O-CD1 3.49Å; A481-I485 VanDerWaalsContact O-CG1 3.29Å; A481-I485 WeakPolarHBondContact O-CG1 3.34Å; A481-I485 PolarHBondContact O-N 3.3Å
482	T	90.3	Very high	88.6	Confident	64 Å²	64	66.4 Å²	66.4	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.4	-59.5	0	0	0	0	111.5	V478 G479 L484 I485 Q486	V478-T482 WeakPolarHBondContact O-CB 3.41Å; V478-T482 PolarHBondContact O-N 3.45Å; V478-T482 PolarHBondContact O-OG1 3.22Å; G479-T482 PolarHBondContact O-N 2.76Å; T482-L484 VanDerWaalsContact C-N 3.34Å; T482-L484 PolarHBondContact O-N 3.12Å; T482-I485 PolarHBondContact O-N 2.92Å; T482-Q486 WeakPolarHBondContact O-CG 3.4Å; T482-Q486 PolarHBondContact O-N 3.09Å; T482-Q486 VanDerWaalsContact O-N 3.08Å
483	A	85.9	Confident	88.2	Confident	41 Å²	41	67.5 Å²	67.5	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-39.5	176.2	0	0	0	0	0	112.4	G479 H480 Q486 S487	G479-A483 PolarHBondContact O-N 3.26Å; H480-A483 PolarHBondContact O-N 3.24Å; A483-Q486 PolarHBondContact O-N 2.8Å; A483-S487 PolarHBondContact O-N 3.34Å; A483-S487 VanDerWaalsContact O-N 3.09Å
484	L	84.8	Confident	88	Confident	17 Å²	17	71.2 Å²	71.2	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-49.5	175.5	-179	64.3	0	0	0	111.7	A382 M383 I386 H480 A481 T482 Q486 S487 L488	A382-L484 HydrophobicContact CB-CD1 3.58Å; M383-L484 HydrophobicContact CE-CD1 4.03Å; M383-L484 HydrophobicContact CE-CD2 4.15Å; M383-L484 HydrophobicContact CE-CG 4.38Å; M383-L484 HydrophobicContact CG-CD1 4.49Å; M383-L484 HydrophobicContact SD-CD1 4.15Å; M383-L484 HydrophobicContact SD-CD2 3.97Å; I386-L484 HydrophobicContact CB-CD2 4.27Å; I386-L484 HydrophobicContact CD1-CD2 3.79Å; I386-L484 HydrophobicContact CG2-CD2 3.78Å; H480-L484 WeakPolarHBondContact O-CB 3.45Å; H480-L484 PolarHBondContact O-N 2.77Å; A481-L484 PolarHBondContact O-N 3.28Å; T482-L484 VanDerWaalsContact C-N 3.34Å; T482-L484 PolarHBondContact O-N 3.12Å; L484-Q486 VanDerWaalsContact C-N 3.27Å; L484-Q486 PolarHBondContact O-N 3.3Å; L484-S487 PolarHBondContact O-N 2.92Å; L484-S487 PolarHBondContact O-OG 2.92Å; L484-L488 HydrophobicContact CD1-CG 4.48Å; L484-L488 HydrophobicContact CG-CD1 4.23Å; L484-L488 PolarHBondContact O-N 2.9Å; L484-L488 VanDerWaalsContact O-N 3.17Å
485	I	85.9	Confident	87.9	Confident	124 Å²	124	67.7 Å²	67.7	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-58.1	-40	177.9	-68.9	163.4	0	0	0	111.1	A481 T482 S487	A481-I485 WeakPolarHBondContact O-CD1 3.49Å; A481-I485 VanDerWaalsContact O-CG1 3.29Å; A481-I485 WeakPolarHBondContact O-CG1 3.34Å; A481-I485 PolarHBondContact O-N 3.3Å; T482-I485 PolarHBondContact O-N 2.92Å; I485-S487 VanDerWaalsContact C-N 3.33Å; I485-S487 PolarHBondContact O-N 3.41Å
486	Q	84.3	Confident	87.7	Confident	108 Å²	108	68.5 Å²	68.5	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-68.5	-29.1	176.4	-69.8	-175.6	31.7	0	0	113.7	T482 A483 L484	T482-Q486 WeakPolarHBondContact O-CG 3.4Å; T482-Q486 PolarHBondContact O-N 3.09Å; T482-Q486 VanDerWaalsContact O-N 3.08Å; A483-Q486 PolarHBondContact O-N 2.8Å; L484-Q486 VanDerWaalsContact C-N 3.27Å; L484-Q486 PolarHBondContact O-N 3.3Å
487	S	80.8	Confident	87.7	Confident	55 Å²	55	67.7 Å²	67.7	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-78.7	-30.1	-179.9	70.5	0	0	0	0	114.1	A483 L484 I485 D489	A483-S487 PolarHBondContact O-N 3.34Å; A483-S487 VanDerWaalsContact O-N 3.09Å; L484-S487 PolarHBondContact O-N 2.92Å; L484-S487 PolarHBondContact O-OG 2.92Å; I485-S487 VanDerWaalsContact C-N 3.33Å; I485-S487 PolarHBondContact O-N 3.41Å; S487-D489 PolarHBondContact O-N 3.27Å
488	L	81.1	Confident	87.7	Confident	104 Å²	104	69.2 Å²	69.2	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-70.1	-25.5	-168.5	-83.4	169.5	0	0	0	115.8	M383 L484	M383-L488 HydrophobicContact CE-CD1 3.95Å; M383-L488 HydrophobicContact CE-CD2 3.89Å; M383-L488 HydrophobicContact CE-CG 4.4Å; L484-L488 HydrophobicContact CD1-CG 4.48Å; L484-L488 HydrophobicContact CG-CD1 4.23Å; L484-L488 PolarHBondContact O-N 2.9Å; L484-L488 VanDerWaalsContact O-N 3.17Å
489	D	79	Confident	87.8	Confident	66 Å²	66	67.5 Å²	67.5	35%	0.353	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	37.5	-175.5	-153	5.1	0	0	0	112.1	S487 S491 R492 R493	S487-D489 PolarHBondContact O-N 3.27Å; D489-S491 PolarHBondContact O-N 3.22Å; D489-R492 PolarHBondContact O-N 3.49Å; D489-R492 WeakPolarHBondContact OD1-CB 3.31Å; D489-R492 WeakPolarHBondContact OD1-CD 3.31Å; D489-R492 WeakPolarHBondContact OD2-CD 3.34Å; D489-R492 IonicContact OD2-CZ 3.05Å; D489-R492 IonicContact OD2-NE 3.49Å; D489-R492 IonicContact OD2-NH1 3.55Å; D489-R492 PolarHBondContact OD2-NH1 3.27Å; D489-R493 VanDerWaalsContact O-CB 3.3Å; D489-R493 WeakPolarHBondContact O-CB 3.33Å; D489-R493 PolarHBondContact O-N 3.46Å
490	S	82.6	Confident	88	Confident	65 Å²	65	70.8 Å²	70.8	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-54.5	-51.8	-172.9	58.7	0	0	0	0	114.1	R492 R493 Q494	S490-R492 VanDerWaalsContact C-N 3.31Å; S490-R492 PolarHBondContact O-N 2.98Å; S490-R493 WeakPolarHBondContact O-CB 3.48Å; S490-R493 PolarHBondContact O-N 2.84Å; S490-Q494 WeakPolarHBondContact O-CB 3.44Å; S490-Q494 WeakPolarHBondContact O-CG 3.27Å; S490-Q494 PolarHBondContact O-N 2.86Å
491	S	84.5	Confident	88.4	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-30.8	-177.5	61	0	0	0	0	113.6	D489 Y495 M531	D489-S491 PolarHBondContact O-N 3.22Å; S491-Y495 PolarHBondContact O-N 3.5Å; S491-Y495 VanDerWaalsContact O-N 3.13Å; S491-M531 PolarHBondContact O-N 3.38Å
492	R	88.2	Confident	88.8	Confident	128 Å²	128	73 Å²	73	48%	0.483	36%	0.362	S	S	.	.	H	α-helix	trans	-82.5	-35.1	177.1	-165.2	-160.2	-170.4	-178.2	3	111	D489 S490 Y495 Q496	D489-R492 PolarHBondContact O-N 3.49Å; D489-R492 WeakPolarHBondContact OD1-CB 3.31Å; D489-R492 WeakPolarHBondContact OD1-CD 3.31Å; D489-R492 WeakPolarHBondContact OD2-CD 3.34Å; D489-R492 IonicContact OD2-CZ 3.05Å; D489-R492 IonicContact OD2-NE 3.49Å; D489-R492 IonicContact OD2-NH1 3.55Å; D489-R492 PolarHBondContact OD2-NH1 3.27Å; S490-R492 VanDerWaalsContact C-N 3.31Å; S490-R492 PolarHBondContact O-N 2.98Å; R492-Y495 WeakPolarHBondContact O-CB 3.45Å; R492-Y495 PolarHBondContact O-N 3Å; R492-Q496 WeakPolarHBondContact O-CG 3.22Å; R492-Q496 PolarHBondContact O-N 3.03Å
493	R	87.6	Confident	89.1	Confident	108 Å²	108	74.3 Å²	74.3	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-47.3	170	178.7	177.5	172.3	178.9	-3.1	110.5	D489 S490 Y495 Q496 E497	D489-R493 VanDerWaalsContact O-CB 3.3Å; D489-R493 WeakPolarHBondContact O-CB 3.33Å; D489-R493 PolarHBondContact O-N 3.46Å; S490-R493 WeakPolarHBondContact O-CB 3.48Å; S490-R493 PolarHBondContact O-N 2.84Å; R493-Y495 PolarHBondContact O-N 3.4Å; R493-Q496 PolarHBondContact O-N 3.23Å; R493-E497 HydrophobicContact CG-CG 4.37Å; R493-E497 IonicContact CZ-OE1 3.37Å; R493-E497 IonicContact NE-OE1 3.98Å; R493-E497 PolarHBondContact NE-OE1 3.37Å; R493-E497 IonicContact NH2-OE1 3.42Å; R493-E497 PolarHBondContact NH2-OE1 2.84Å; R493-E497 WeakPolarHBondContact O-CB 3.32Å; R493-E497 WeakPolarHBondContact O-CG 3.24Å; R493-E497 PolarHBondContact O-N 2.95Å
494	Q	88.7	Confident	89.6	Confident	100 Å²	100	78.8 Å²	78.8	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-58.5	-44.1	173.5	-74.5	171.8	-22.3	0	0	112	S490 E497 K498 M531	S490-Q494 WeakPolarHBondContact O-CB 3.44Å; S490-Q494 WeakPolarHBondContact O-CG 3.27Å; S490-Q494 PolarHBondContact O-N 2.86Å; Q494-E497 PolarHBondContact O-N 3.06Å; Q494-K498 WeakPolarHBondContact O-CB 3.4Å; Q494-K498 PolarHBondContact O-N 3.3Å; Q494-M531 HydrophobicContact CB-CE 4.46Å
495	Y	93.5	Very high	90.2	Very high	27 Å²	27	84.6 Å²	84.6	11%	0.106	40%	0.4	C	S	.	.	H	α-helix	trans	-58.3	-47.9	172.4	173.8	-99.5	0	0	0	112.3	S491 R492 R493 K498 Y499 Y523 Y527 M531	S491-Y495 PolarHBondContact O-N 3.5Å; S491-Y495 VanDerWaalsContact O-N 3.13Å; R492-Y495 WeakPolarHBondContact O-CB 3.45Å; R492-Y495 PolarHBondContact O-N 3Å; R493-Y495 PolarHBondContact O-N 3.4Å; Y495-K498 PolarHBondContact O-N 3.12Å; Y495-Y499 VanDerWaalsContact O-CB 3.26Å; Y495-Y499 WeakPolarHBondContact O-CB 3.26Å; Y495-Y499 PolarHBondContact O-N 2.98Å; Y495-Y523 HydrophobicContact CE2-CD1 4.5Å; Y495-Y527 HydrophobicContact CD2-CG 4.48Å; Y495-Y527 HydrophobicContact CE2-CD2 4.46Å; Y495-Y527 HydrophobicContact CE2-CG 4.39Å; Y495-M531 HydrophobicContact CD2-CB 4.45Å
496	Q	92.5	Very high	90.8	Very high	82 Å²	82	79 Å²	79	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-40.8	178.9	-72.2	178.6	24.4	0	0	112.9	R492 R493 Y499 K500	R492-Q496 WeakPolarHBondContact O-CG 3.22Å; R492-Q496 PolarHBondContact O-N 3.03Å; R493-Q496 PolarHBondContact O-N 3.23Å; Q496-Y499 PolarHBondContact O-N 3.27Å; Q496-K500 WeakPolarHBondContact O-CB 3.14Å; Q496-K500 WeakPolarHBondContact O-CD 3.05Å; Q496-K500 VanDerWaalsContact O-CG 3.22Å; Q496-K500 WeakPolarHBondContact O-CG 3.29Å; Q496-K500 PolarHBondContact O-N 3.03Å
497	E	93.3	Very high	91.4	Very high	83 Å²	83	77 Å²	77	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-40.9	177.1	-74.1	174.8	172.4	0	0	110.7	R493 Q494 Q501	R493-E497 HydrophobicContact CG-CG 4.37Å; R493-E497 IonicContact CZ-OE1 3.37Å; R493-E497 IonicContact NE-OE1 3.98Å; R493-E497 PolarHBondContact NE-OE1 3.37Å; R493-E497 IonicContact NH2-OE1 3.42Å; R493-E497 PolarHBondContact NH2-OE1 2.84Å; R493-E497 WeakPolarHBondContact O-CB 3.32Å; R493-E497 WeakPolarHBondContact O-CG 3.24Å; R493-E497 PolarHBondContact O-N 2.95Å; Q494-E497 PolarHBondContact O-N 3.06Å; E497-Q501 WeakPolarHBondContact O-CG 3.1Å; E497-Q501 PolarHBondContact O-N 3.21Å
498	K	94.2	Very high	92.2	Very high	88 Å²	88	82 Å²	82	38%	0.383	38%	0.384	S	S	.	.	H	α-helix	trans	-67.1	-44.2	173.4	-164.2	75.8	-164.2	162	0	112.1	Q494 Y495 K500 Q501 V502 M531	Q494-K498 WeakPolarHBondContact O-CB 3.4Å; Q494-K498 PolarHBondContact O-N 3.3Å; Y495-K498 PolarHBondContact O-N 3.12Å; K498-K500 VanDerWaalsContact C-N 3.33Å; K498-K500 PolarHBondContact O-N 2.85Å; K498-Q501 WeakPolarHBondContact O-CB 3.43Å; K498-Q501 PolarHBondContact O-N 2.96Å; K498-Q501 VanDerWaalsContact O-N 3.11Å; K498-V502 PolarHBondContact O-N 3.04Å; K498-V502 VanDerWaalsContact O-N 3.17Å; K498-M531 HydrophobicContact CB-CE 4Å; K498-M531 HydrophobicContact CB-SD 3.66Å; K498-M531 HydrophobicContact CD-CE 4.37Å; K498-M531 HydrophobicContact CD-SD 4.33Å; K498-M531 HydrophobicContact CG-CE 4.21Å; K498-M531 HydrophobicContact CG-SD 3.64Å
499	Y	95.8	Very high	93.1	Very high	26 Å²	26	81.5 Å²	81.5	10%	0.102	38%	0.379	C	S	.	.	H	α-helix	trans	-64.3	-37.5	179.2	-174.7	-100.6	0	0	0	111.8	Y495 Q496 Q501 V502 E503 H520 Y523	Y495-Y499 VanDerWaalsContact O-CB 3.26Å; Y495-Y499 WeakPolarHBondContact O-CB 3.26Å; Y495-Y499 PolarHBondContact O-N 2.98Å; Q496-Y499 PolarHBondContact O-N 3.27Å; Y499-Q501 VanDerWaalsContact C-N 3.32Å; Y499-Q501 PolarHBondContact O-N 3.36Å; Y499-V502 CarbonylContact O-C 3.59Å; Y499-V502 WeakPolarHBondContact O-CA 3.39Å; Y499-V502 WeakPolarHBondContact O-CB 3.27Å; Y499-V502 PolarHBondContact O-N 3.07Å; Y499-E503 HydrophobicContact CD1-CG 3.99Å; Y499-E503 HydrophobicContact CE1-CG 3.47Å; Y499-E503 VanDerWaalsContact CE1-CG 3.47Å; Y499-E503 WeakPolarHBondContact CE1-OE1 3.32Å; Y499-E503 PolarHBondContact O-N 3.16Å; Y499-H520 AromaticContact CE1-ND1 3.91Å; Y499-H520 AromaticContact CZ-ND1 3.37Å; Y499-H520 WeakPolarHBondContact OH-CB 3.47Å; Y499-H520 PolarHBondContact OH-ND1 3.03Å; Y499-Y523 HydrophobicContact CD2-CD1 4.34Å; Y499-Y523 HydrophobicContact CD2-CG 4.07Å; Y499-Y523 HydrophobicContact CE2-CG 4.41Å
500	K	96.3	Very high	93.9	Very high	109 Å²	109	86.7 Å²	86.7	47%	0.474	40%	0.398	S	S	.	.	H	α-helix	trans	-60.2	-36.3	171.1	-76.4	166.4	-177.1	169.9	0	113.1	Q496 K498 V502 E503 Q504	Q496-K500 WeakPolarHBondContact O-CB 3.14Å; Q496-K500 WeakPolarHBondContact O-CD 3.05Å; Q496-K500 VanDerWaalsContact O-CG 3.22Å; Q496-K500 WeakPolarHBondContact O-CG 3.29Å; Q496-K500 PolarHBondContact O-N 3.03Å; K498-K500 VanDerWaalsContact C-N 3.33Å; K498-K500 PolarHBondContact O-N 2.85Å; K500-V502 VanDerWaalsContact C-N 3.3Å; K500-V502 PolarHBondContact O-N 3.37Å; K500-E503 PolarHBondContact O-N 2.97Å; K500-Q504 WeakPolarHBondContact O-CB 3.41Å; K500-Q504 VanDerWaalsContact O-CG 3.26Å; K500-Q504 WeakPolarHBondContact O-CG 3.39Å; K500-Q504 PolarHBondContact O-N 3.33Å
501	Q	97.6	Very high	94.6	Very high	98 Å²	98	85.3 Å²	85.3	46%	0.458	39%	0.386	S	S	.	.	H	α-helix	trans	-63.4	-38.2	171.9	-64.8	168.8	9.7	0	0	111.2	E497 K498 Y499 Q504 Y505	E497-Q501 WeakPolarHBondContact O-CG 3.1Å; E497-Q501 PolarHBondContact O-N 3.21Å; K498-Q501 WeakPolarHBondContact O-CB 3.43Å; K498-Q501 PolarHBondContact O-N 2.96Å; K498-Q501 VanDerWaalsContact O-N 3.11Å; Y499-Q501 VanDerWaalsContact C-N 3.32Å; Y499-Q501 PolarHBondContact O-N 3.36Å; Q501-Q504 PolarHBondContact O-N 3.49Å; Q501-Y505 WeakPolarHBondContact O-CB 3.45Å; Q501-Y505 PolarHBondContact O-N 2.66Å
502	V	97.4	Very high	95.3	Very high	18 Å²	18	88 Å²	88	11%	0.109	40%	0.402	C	S	.	.	H	α-helix	trans	-66.6	-44.9	175.2	-178.1	0	0	0	0	110.7	K498 Y499 K500 Q504 Y505 M506 I519 Y523	K498-V502 PolarHBondContact O-N 3.04Å; K498-V502 VanDerWaalsContact O-N 3.17Å; Y499-V502 CarbonylContact O-C 3.59Å; Y499-V502 WeakPolarHBondContact O-CA 3.39Å; Y499-V502 WeakPolarHBondContact O-CB 3.27Å; Y499-V502 PolarHBondContact O-N 3.07Å; K500-V502 VanDerWaalsContact C-N 3.3Å; K500-V502 PolarHBondContact O-N 3.37Å; V502-Q504 VanDerWaalsContact C-N 3.34Å; V502-Q504 PolarHBondContact O-N 2.95Å; V502-Y505 WeakPolarHBondContact O-CB 3.35Å; V502-Y505 PolarHBondContact O-N 2.9Å; V502-M506 HydrophobicContact CG1-CE 4.24Å; V502-M506 HydrophobicContact CG1-CG 4.31Å; V502-M506 HydrophobicContact CG1-SD 4.43Å; V502-M506 VanDerWaalsContact O-CG 3.26Å; V502-M506 WeakPolarHBondContact O-CG 3.44Å; V502-M506 PolarHBondContact O-N 3.02Å; V502-I519 HydrophobicContact CG1-CG2 3.67Å; V502-Y523 HydrophobicContact CG1-CE2 4.06Å; V502-Y523 HydrophobicContact CG2-CE1 4.18Å; V502-Y523 HydrophobicContact CG2-CE2 4.04Å
503	E	96.4	Very high	95.7	Very high	92 Å²	92	85.4 Å²	85.4	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-59.2	-43	174.3	-67.6	-175.1	128.5	0	0	112.7	Y499 K500 M506 S507	Y499-E503 HydrophobicContact CD1-CG 3.99Å; Y499-E503 HydrophobicContact CE1-CG 3.47Å; Y499-E503 VanDerWaalsContact CE1-CG 3.47Å; Y499-E503 WeakPolarHBondContact CE1-OE1 3.32Å; Y499-E503 PolarHBondContact O-N 3.16Å; K500-E503 PolarHBondContact O-N 2.97Å; E503-M506 HydrophobicContact CB-CE 4.49Å; E503-M506 HydrophobicContact CG-CE 4.1Å; E503-M506 PolarHBondContact O-N 3.36Å; E503-S507 VanDerWaalsContact O-CB 3.25Å; E503-S507 WeakPolarHBondContact O-CB 3.37Å; E503-S507 PolarHBondContact O-N 2.81Å
504	Q	97.6	Very high	96.1	Very high	134 Å²	134	86.5 Å²	86.5	63%	0.626	42%	0.422	S	S	*	.	H	α-helix	trans	-61	-44.6	174.6	-74.4	171.2	-10.5	0	0	111.6	K500 Q501 V502 S507 F508	K500-Q504 WeakPolarHBondContact O-CB 3.41Å; K500-Q504 VanDerWaalsContact O-CG 3.26Å; K500-Q504 WeakPolarHBondContact O-CG 3.39Å; K500-Q504 PolarHBondContact O-N 3.33Å; Q501-Q504 PolarHBondContact O-N 3.49Å; V502-Q504 VanDerWaalsContact C-N 3.34Å; V502-Q504 PolarHBondContact O-N 2.95Å; Q504-S507 PolarHBondContact O-N 2.85Å; Q504-F508 VanDerWaalsContact O-CB 3.3Å; Q504-F508 WeakPolarHBondContact O-CB 3.37Å; Q504-F508 PolarHBondContact O-N 3.35Å
505	Y	98.1	Very high	96.4	Very high	140 Å²	140	86.2 Å²	86.2	55%	0.549	42%	0.422	S	S	.	.	H	α-helix	trans	-61.2	-48.1	174.8	176.9	-92.8	0	0	0	112.2	Q501 V502 S507 F508 H509	Q501-Y505 WeakPolarHBondContact O-CB 3.45Å; Q501-Y505 PolarHBondContact O-N 2.66Å; V502-Y505 WeakPolarHBondContact O-CB 3.35Å; V502-Y505 PolarHBondContact O-N 2.9Å; Y505-S507 VanDerWaalsContact C-N 3.27Å; Y505-S507 PolarHBondContact O-N 2.76Å; Y505-F508 PolarHBondContact O-N 2.74Å; Y505-H509 AromaticContact CD2-CD2 3.58Å; Y505-H509 AromaticContact CD2-NE2 3.79Å; Y505-H509 AromaticContact CE1-CD2 3.97Å; Y505-H509 AromaticContact CE2-CD2 3.32Å; Y505-H509 WeakPolarHBondContact CE2-CD2 3.26Å; Y505-H509 AromaticContact CE2-NE2 3.27Å; Y505-H509 VanDerWaalsContact CE2-NE2 3.27Å; Y505-H509 WeakPolarHBondContact CE2-NE2 3.37Å; Y505-H509 AromaticContact CZ-CD2 3.53Å; Y505-H509 AromaticContact CZ-NE2 3.77Å; Y505-H509 PolarHBondContact O-CD2 3.02Å; Y505-H509 PolarHBondContact O-N 3.35Å
506	M	97.9	Very high	96.6	Very high	5 Å²	5	89.1 Å²	89.1	3%	0.025	43%	0.433	C	S	.	.	H	α-helix	trans	-61	-35.7	176.6	-67.8	-167.1	-69.2	0	0	112.6	V502 E503 K510 L511 R516 I519	V502-M506 HydrophobicContact CG1-CE 4.24Å; V502-M506 HydrophobicContact CG1-CG 4.31Å; V502-M506 HydrophobicContact CG1-SD 4.43Å; V502-M506 VanDerWaalsContact O-CG 3.26Å; V502-M506 WeakPolarHBondContact O-CG 3.44Å; V502-M506 PolarHBondContact O-N 3.02Å; E503-M506 HydrophobicContact CB-CE 4.49Å; E503-M506 HydrophobicContact CG-CE 4.1Å; E503-M506 PolarHBondContact O-N 3.36Å; M506-K510 PolarHBondContact O-N 3.15Å; M506-L511 HydrophobicContact CB-CD1 4.19Å; M506-L511 HydrophobicContact CG-CD1 3.94Å; M506-L511 PolarHBondContact O-N 3.29Å; M506-R516 HydrophobicContact CB-CG 4.18Å; M506-R516 HydrophobicContact CE-CB 4.32Å; M506-R516 HydrophobicContact SD-CB 3.86Å; M506-R516 HydrophobicContact SD-CG 3.85Å; M506-I519 HydrophobicContact CE-CG2 4.26Å; M506-I519 HydrophobicContact CG-CD1 4.06Å; M506-I519 HydrophobicContact SD-CB 3.68Å; M506-I519 HydrophobicContact SD-CD1 3.6Å; M506-I519 HydrophobicContact SD-CG1 4.24Å; M506-I519 HydrophobicContact SD-CG2 3.62Å
507	S	97	Very high	96.8	Very high	67 Å²	67	90.2 Å²	90.2	47%	0.469	44%	0.438	S	S	.	.	H	α-helix	trans	-72.9	-46	177.6	-164.8	0	0	0	0	111.8	E503 Q504 Y505 K510	E503-S507 VanDerWaalsContact O-CB 3.25Å; E503-S507 WeakPolarHBondContact O-CB 3.37Å; E503-S507 PolarHBondContact O-N 2.81Å; Q504-S507 PolarHBondContact O-N 2.85Å; Y505-S507 VanDerWaalsContact C-N 3.27Å; Y505-S507 PolarHBondContact O-N 2.76Å; S507-K510 WeakPolarHBondContact O-CA 3.35Å; S507-K510 PolarHBondContact O-N 2.76Å
508	F	97.9	Very high	96.9	Very high	161 Å²	161	91.5 Å²	91.5	71%	0.706	44%	0.439	S	S	*	.	H	α-helix	trans	-59.6	-47.6	177.3	176.8	-101.5	0	0	0	112	Q504 Y505 K510	Q504-F508 VanDerWaalsContact O-CB 3.3Å; Q504-F508 WeakPolarHBondContact O-CB 3.37Å; Q504-F508 PolarHBondContact O-N 3.35Å; Y505-F508 PolarHBondContact O-N 2.74Å; F508-K510 PolarHBondContact O-N 3Å
509	H	98.1	Very high	97.1	Very high	92 Å²	92	89.4 Å²	89.4	43%	0.426	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.6	174.3	-71.5	-72.9	0	0	0	114.1	Y505 L511	Y505-H509 AromaticContact CD2-CD2 3.58Å; Y505-H509 AromaticContact CD2-NE2 3.79Å; Y505-H509 AromaticContact CE1-CD2 3.97Å; Y505-H509 AromaticContact CE2-CD2 3.32Å; Y505-H509 WeakPolarHBondContact CE2-CD2 3.26Å; Y505-H509 AromaticContact CE2-NE2 3.27Å; Y505-H509 VanDerWaalsContact CE2-NE2 3.27Å; Y505-H509 WeakPolarHBondContact CE2-NE2 3.37Å; Y505-H509 AromaticContact CZ-CD2 3.53Å; Y505-H509 AromaticContact CZ-NE2 3.77Å; Y505-H509 PolarHBondContact O-CD2 3.02Å; Y505-H509 PolarHBondContact O-N 3.35Å; H509-L511 HydrophobicContact CB-CD2 3.87Å; H509-L511 HydrophobicContact CB-CG 4.16Å; H509-L511 PolarHBondContact O-N 3.05Å
510	K	97.4	Very high	97.1	Very high	176 Å²	176	91.4 Å²	91.4	77%	0.765	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.8	177.4	-58.3	179.9	-177.7	176.1	0	113.8	M506 S507 F508	M506-K510 PolarHBondContact O-N 3.15Å; S507-K510 WeakPolarHBondContact O-CA 3.35Å; S507-K510 PolarHBondContact O-N 2.76Å; F508-K510 PolarHBondContact O-N 3Å
511	L	97.8	Very high	97	Very high	36 Å²	36	88.1 Å²	88.1	19%	0.188	43%	0.43	C	S	.	.			trans	-60.6	146.9	-175.8	-56.4	-174.4	0	0	0	111.6	M506 H509 M515 R516 I519	M506-L511 HydrophobicContact CB-CD1 4.19Å; M506-L511 HydrophobicContact CG-CD1 3.94Å; M506-L511 PolarHBondContact O-N 3.29Å; H509-L511 HydrophobicContact CB-CD2 3.87Å; H509-L511 HydrophobicContact CB-CG 4.16Å; H509-L511 PolarHBondContact O-N 3.05Å; L511-M515 HydrophobicContact CB-SD 4.15Å; L511-M515 HydrophobicContact CD1-CG 4.47Å; L511-M515 HydrophobicContact CD1-SD 3.94Å; L511-M515 HydrophobicContact CD2-SD 4.08Å; L511-M515 HydrophobicContact CG-SD 4.28Å; L511-R516 HydrophobicContact CB-CG 4.36Å; L511-R516 PolarHBondContact O-NE 2.76Å; L511-R516 PolarHBondContact O-NH2 2.87Å; L511-I519 HydrophobicContact CD1-CD1 4.04Å
512	P	97.9	Very high	97	Very high	77 Å²	77	87.1 Å²	87.1	50%	0.5	42%	0.422	S	S	.	.			trans	-59.3	151.8	177.4	-24.3	34.5	0	0	0	113.2	D514 M515 R516	P512-D514 PolarHBondContact O-N 3.44Å; P512-M515 WeakPolarHBondContact O-CB 3.39Å; P512-M515 PolarHBondContact O-N 3.05Å; P512-R516 WeakPolarHBondContact O-CG 3.24Å; P512-R516 PolarHBondContact O-N 3.47Å
513	A	96.1	Very high	96.9	Very high	74 Å²	74	88.6 Å²	88.6	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-54.2	-48	-177.6	0	0	0	0	0	112.6	M515 R516 Q517	A513-M515 VanDerWaalsContact C-N 3.25Å; A513-M515 PolarHBondContact O-N 3.25Å; A513-R516 WeakPolarHBondContact O-CA 3.44Å; A513-R516 WeakPolarHBondContact O-CB 3.38Å; A513-R516 PolarHBondContact O-N 3.08Å; A513-Q517 PolarHBondContact O-N 3.14Å
514	D	96.2	Very high	96.7	Very high	132 Å²	132	89 Å²	89	71%	0.706	43%	0.428	S	S	*	.	H	α-helix	trans	-57.5	-38.3	178.7	-44.2	-14.7	0	0	0	112.2	P512 R518	P512-D514 PolarHBondContact O-N 3.44Å; D514-R518 WeakPolarHBondContact O-CB 3.28Å; D514-R518 WeakPolarHBondContact O-CG 3.41Å; D514-R518 PolarHBondContact O-N 2.98Å
515	M	96.1	Very high	96.5	Very high	94 Å²	94	85.6 Å²	85.6	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-70.2	-36.2	176.7	-173	178.1	-71.7	0	0	111.4	L511 P512 A513 I519	L511-M515 HydrophobicContact CB-SD 4.15Å; L511-M515 HydrophobicContact CD1-CG 4.47Å; L511-M515 HydrophobicContact CD1-SD 3.94Å; L511-M515 HydrophobicContact CD2-SD 4.08Å; L511-M515 HydrophobicContact CG-SD 4.28Å; P512-M515 WeakPolarHBondContact O-CB 3.39Å; P512-M515 PolarHBondContact O-N 3.05Å; A513-M515 VanDerWaalsContact C-N 3.25Å; A513-M515 PolarHBondContact O-N 3.25Å; M515-I519 HydrophobicContact CG-CD1 4.13Å; M515-I519 WeakPolarHBondContact O-CD1 3.36Å; M515-I519 VanDerWaalsContact O-CG1 3.26Å; M515-I519 WeakPolarHBondContact O-CG1 3.42Å; M515-I519 PolarHBondContact O-N 3.2Å
516	R	96.7	Very high	96.3	Very high	87 Å²	87	81.3 Å²	81.3	33%	0.328	40%	0.395	S	S	.	.	H	α-helix	trans	-67.2	-43.5	174.4	-58.9	-174.5	-162.9	-158.9	1.7	111.9	M506 L511 P512 A513 I519 H520	M506-R516 HydrophobicContact CB-CG 4.18Å; M506-R516 HydrophobicContact CE-CB 4.32Å; M506-R516 HydrophobicContact SD-CB 3.86Å; M506-R516 HydrophobicContact SD-CG 3.85Å; L511-R516 HydrophobicContact CB-CG 4.36Å; L511-R516 PolarHBondContact O-NE 2.76Å; L511-R516 PolarHBondContact O-NH2 2.87Å; P512-R516 WeakPolarHBondContact O-CG 3.24Å; P512-R516 PolarHBondContact O-N 3.47Å; A513-R516 WeakPolarHBondContact O-CA 3.44Å; A513-R516 WeakPolarHBondContact O-CB 3.38Å; A513-R516 PolarHBondContact O-N 3.08Å; R516-I519 PolarHBondContact O-N 2.99Å; R516-H520 PolarHBondContact O-N 3.35Å
517	Q	96.8	Very high	96	Very high	105 Å²	105	84 Å²	84	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-46.8	175.9	-169.6	62.3	46.6	0	0	110.4	A513 I519 H520 D521	A513-Q517 PolarHBondContact O-N 3.14Å; Q517-I519 VanDerWaalsContact C-N 3.28Å; Q517-I519 PolarHBondContact O-N 3.48Å; Q517-H520 WeakPolarHBondContact O-CA 3.45Å; Q517-H520 VanDerWaalsContact O-CB 3.32Å; Q517-H520 WeakPolarHBondContact O-CB 3.32Å; Q517-H520 PolarHBondContact O-N 2.85Å; Q517-D521 PolarHBondContact NE2-OD1 3.05Å; Q517-D521 PolarHBondContact O-N 3.12Å
518	R	96.3	Very high	95.7	Very high	110 Å²	110	86.9 Å²	86.9	42%	0.415	41%	0.411	S	S	.	.	H	α-helix	trans	-56.1	-40.4	174.1	-79.4	-166.1	61.3	-178.8	-5	113.3	D514 Y522 Q585 D588	D514-R518 WeakPolarHBondContact O-CB 3.28Å; D514-R518 WeakPolarHBondContact O-CG 3.41Å; D514-R518 PolarHBondContact O-N 2.98Å; R518-Y522 VanDerWaalsContact O-CB 3.3Å; R518-Y522 WeakPolarHBondContact O-CB 3.48Å; R518-Y522 PolarHBondContact O-N 3.02Å; R518-Q585 VanDerWaalsContact CZ-OE1 3.29Å; R518-Q585 PolarHBondContact O-NE2 2.94Å; R518-Q585 PolarHBondContact O-OE1 3.22Å; R518-D588 IonicContact CZ-OD1 2.73Å; R518-D588 IonicContact NH1-OD1 3.52Å; R518-D588 PolarHBondContact NH1-OD1 3.17Å; R518-D588 IonicContact NH2-OD1 2.9Å; R518-D588 PolarHBondContact NH2-OD1 3.5Å; R518-D588 IonicContact NH2-OD2 2.64Å; R518-D588 PolarHBondContact NH2-OD2 3.31Å
519	I	96.8	Very high	95.2	Very high	44 Å²	44	80.4 Å²	80.4	23%	0.226	39%	0.39	C	S	.	.	H	α-helix	trans	-68.3	-39.6	175.7	-69.3	163.3	0	0	0	111.1	V502 M506 L511 M515 R516 Q517 Y522 Y523	V502-I519 HydrophobicContact CG1-CG2 3.67Å; M506-I519 HydrophobicContact CE-CG2 4.26Å; M506-I519 HydrophobicContact CG-CD1 4.06Å; M506-I519 HydrophobicContact SD-CB 3.68Å; M506-I519 HydrophobicContact SD-CD1 3.6Å; M506-I519 HydrophobicContact SD-CG1 4.24Å; M506-I519 HydrophobicContact SD-CG2 3.62Å; L511-I519 HydrophobicContact CD1-CD1 4.04Å; M515-I519 HydrophobicContact CG-CD1 4.13Å; M515-I519 WeakPolarHBondContact O-CD1 3.36Å; M515-I519 VanDerWaalsContact O-CG1 3.26Å; M515-I519 WeakPolarHBondContact O-CG1 3.42Å; M515-I519 PolarHBondContact O-N 3.2Å; R516-I519 PolarHBondContact O-N 2.99Å; Q517-I519 VanDerWaalsContact C-N 3.28Å; Q517-I519 PolarHBondContact O-N 3.48Å; I519-Y522 PolarHBondContact O-N 2.96Å; I519-Y523 HydrophobicContact CG2-CD2 3.97Å; I519-Y523 HydrophobicContact CG2-CE2 4.17Å; I519-Y523 WeakPolarHBondContact O-CD2 3.29Å; I519-Y523 PolarHBondContact O-N 3.24Å
520	H	95.8	Very high	94.8	Very high	68 Å²	68	81.7 Å²	81.7	32%	0.315	39%	0.394	S	S	.	.	H	α-helix	trans	-58.3	-55.8	173.4	-176.6	80.2	0	0	0	111.5	Y499 R516 Q517 Y522 Y523 E524	Y499-H520 AromaticContact CE1-ND1 3.91Å; Y499-H520 AromaticContact CZ-ND1 3.37Å; Y499-H520 WeakPolarHBondContact OH-CB 3.47Å; Y499-H520 PolarHBondContact OH-ND1 3.03Å; R516-H520 PolarHBondContact O-N 3.35Å; Q517-H520 WeakPolarHBondContact O-CA 3.45Å; Q517-H520 VanDerWaalsContact O-CB 3.32Å; Q517-H520 WeakPolarHBondContact O-CB 3.32Å; Q517-H520 PolarHBondContact O-N 2.85Å; H520-Y522 PolarHBondContact O-N 2.85Å; H520-Y523 PolarHBondContact O-N 2.87Å; H520-Y523 VanDerWaalsContact O-N 3.08Å; H520-E524 PolarHBondContact O-N 3.36Å
521	D	95.9	Very high	94.3	Very high	40 Å²	40	75.5 Å²	75.5	21%	0.214	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-38.7	-179.7	-51.4	-21.5	0	0	0	111.1	Q517 H525 Y646	Q517-D521 PolarHBondContact NE2-OD1 3.05Å; Q517-D521 PolarHBondContact O-N 3.12Å; D521-H525 WeakPolarHBondContact O-CB 3.49Å; D521-H525 PolarHBondContact O-N 3.43Å; D521-H525 PolarHBondContact O-ND1 3.49Å; D521-Y646 WeakPolarHBondContact CB-OH 3.44Å
522	Y	96	Very high	93.9	Very high	78 Å²	78	79.5 Å²	79.5	31%	0.306	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-48.8	174.9	174.3	-88.7	0	0	0	112.2	R518 I519 H520 E524 H525 R526 V583 Q585	R518-Y522 VanDerWaalsContact O-CB 3.3Å; R518-Y522 WeakPolarHBondContact O-CB 3.48Å; R518-Y522 PolarHBondContact O-N 3.02Å; I519-Y522 PolarHBondContact O-N 2.96Å; H520-Y522 PolarHBondContact O-N 2.85Å; Y522-E524 VanDerWaalsContact C-N 3.34Å; Y522-E524 PolarHBondContact O-N 3.16Å; Y522-H525 PolarHBondContact O-N 3.28Å; Y522-R526 HydrophobicContact CE1-CB 4.24Å; Y522-R526 HydrophobicContact CE1-CG 4.44Å; Y522-R526 VanDerWaalsContact O-CB 3.26Å; Y522-R526 WeakPolarHBondContact O-CB 3.47Å; Y522-R526 PolarHBondContact O-N 3.06Å; Y522-V583 WeakPolarHBondContact CE2-O 3.34Å; Y522-Q585 HydrophobicContact CD2-CG 4.36Å
523	Y	95.2	Very high	93.4	Very high	48 Å²	48	80.8 Å²	80.8	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-39.5	179.4	-94.7	-93.1	0	0	0	111.7	Y495 Y499 V502 I519 H520 Y527	Y495-Y523 HydrophobicContact CE2-CD1 4.5Å; Y499-Y523 HydrophobicContact CD2-CD1 4.34Å; Y499-Y523 HydrophobicContact CD2-CG 4.07Å; Y499-Y523 HydrophobicContact CE2-CG 4.41Å; V502-Y523 HydrophobicContact CG1-CE2 4.06Å; V502-Y523 HydrophobicContact CG2-CE1 4.18Å; V502-Y523 HydrophobicContact CG2-CE2 4.04Å; I519-Y523 HydrophobicContact CG2-CD2 3.97Å; I519-Y523 HydrophobicContact CG2-CE2 4.17Å; I519-Y523 WeakPolarHBondContact O-CD2 3.29Å; I519-Y523 PolarHBondContact O-N 3.24Å; H520-Y523 PolarHBondContact O-N 2.87Å; H520-Y523 VanDerWaalsContact O-N 3.08Å; Y523-Y527 AromaticContact CD1-CD2 3.64Å; Y523-Y527 HydrophobicContact CD1-CD2 3.64Å; Y523-Y527 AromaticContact CD1-CE2 3.66Å; Y523-Y527 HydrophobicContact CD1-CE2 3.66Å; Y523-Y527 HydrophobicContact CE1-CD2 4.11Å; Y523-Y527 AromaticContact CE1-CE2 3.64Å; Y523-Y527 HydrophobicContact CE1-CE2 3.64Å; Y523-Y527 HydrophobicContact CG-CD2 4.41Å; Y523-Y527 WeakPolarHBondContact O-CB 3.47Å; Y523-Y527 PolarHBondContact O-N 3.18Å
524	E	93.7	Very high	93.1	Very high	102 Å²	102	81.2 Å²	81.2	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-61	-47.9	173.5	-173	177.5	-140.9	0	0	111.5	H520 Y522 Q528	H520-E524 PolarHBondContact O-N 3.36Å; Y522-E524 VanDerWaalsContact C-N 3.34Å; Y522-E524 PolarHBondContact O-N 3.16Å; E524-Q528 WeakPolarHBondContact O-CA 3.4Å; E524-Q528 PolarHBondContact O-N 3.38Å
525	H	93.6	Very high	92.7	Very high	62 Å²	62	80.7 Å²	80.7	29%	0.287	37%	0.37	S	S	.	.	H	α-helix	trans	-71.8	-31.7	-178.9	-74.1	70.3	0	0	0	113.5	D521 Y522 Y646	D521-H525 WeakPolarHBondContact O-CB 3.49Å; D521-H525 PolarHBondContact O-N 3.43Å; D521-H525 PolarHBondContact O-ND1 3.49Å; Y522-H525 PolarHBondContact O-N 3.28Å; H525-Y646 HydrophobicContact CB-CD1 4.19Å; H525-Y646 HydrophobicContact CB-CE1 4.21Å; H525-Y646 AromaticContact CD2-CD1 3.66Å; H525-Y646 AromaticContact CD2-CD2 3.79Å; H525-Y646 AromaticContact CD2-CE1 3.83Å; H525-Y646 AromaticContact CD2-CE2 3.97Å; H525-Y646 AromaticContact CD2-CG 3.64Å; H525-Y646 AromaticContact CD2-CZ 3.99Å; H525-Y646 AromaticContact CE1-CE2 3.87Å; H525-Y646 AromaticContact CE1-CZ 3.75Å; H525-Y646 AromaticContact CG-CD1 3.86Å; H525-Y646 AromaticContact CG-CE1 3.73Å; H525-Y646 AromaticContact ND1-CE1 3.95Å; H525-Y646 AromaticContact ND1-CZ 3.91Å; H525-Y646 AromaticContact NE2-CD2 3.66Å; H525-Y646 AromaticContact NE2-CE2 3.54Å; H525-Y646 AromaticContact NE2-CZ 3.8Å
526	R	93.3	Very high	92.5	Very high	49 Å²	49	79 Å²	79	19%	0.185	37%	0.367	C	S	.	.	H	α-helix	trans	-79.2	-30.5	179.8	177.3	58.3	-172.6	90.3	-11.2	113.8	Y522 E534	Y522-R526 HydrophobicContact CE1-CB 4.24Å; Y522-R526 HydrophobicContact CE1-CG 4.44Å; Y522-R526 VanDerWaalsContact O-CB 3.26Å; Y522-R526 WeakPolarHBondContact O-CB 3.47Å; Y522-R526 PolarHBondContact O-N 3.06Å; R526-E534 IonicContact NH2-OE2 3.53Å
527	Y	92.1	Very high	92.3	Very high	62 Å²	62	78.5 Å²	78.5	24%	0.243	37%	0.37	C	S	.	.	H	α-helix	trans	-123.9	-15.2	-172.7	-64	-75.8	0	0	0	114.8	Y495 Y523 G529 K530 M531	Y495-Y527 HydrophobicContact CD2-CG 4.48Å; Y495-Y527 HydrophobicContact CE2-CD2 4.46Å; Y495-Y527 HydrophobicContact CE2-CG 4.39Å; Y523-Y527 AromaticContact CD1-CD2 3.64Å; Y523-Y527 HydrophobicContact CD1-CD2 3.64Å; Y523-Y527 AromaticContact CD1-CE2 3.66Å; Y523-Y527 HydrophobicContact CD1-CE2 3.66Å; Y523-Y527 HydrophobicContact CE1-CD2 4.11Å; Y523-Y527 AromaticContact CE1-CE2 3.64Å; Y523-Y527 HydrophobicContact CE1-CE2 3.64Å; Y523-Y527 HydrophobicContact CG-CD2 4.41Å; Y523-Y527 WeakPolarHBondContact O-CB 3.47Å; Y523-Y527 PolarHBondContact O-N 3.18Å; Y527-G529 PolarHBondContact O-N 2.79Å; Y527-G529 VanDerWaalsContact O-N 3.08Å; Y527-K530 PolarHBondContact O-N 3.44Å; Y527-M531 HydrophobicContact CD1-CG 4.14Å; Y527-M531 HydrophobicContact CE1-CG 4.09Å
528	Q	91	Very high	92.1	Very high	128 Å²	128	75.1 Å²	75.1	60%	0.598	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	36.2	175.1	-63	161.8	43.6	0	0	113	E524 K530	E524-Q528 WeakPolarHBondContact O-CA 3.4Å; E524-Q528 PolarHBondContact O-N 3.38Å; Q528-K530 VanDerWaalsContact C-N 3.33Å; Q528-K530 PolarHBondContact O-N 2.86Å
529	G	87.1	Confident	91.8	Very high	24 Å²	24	72.3 Å²	72.3	25%	0.247	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	3.2	-179.5	0	0	0	0	0	116.2	Y527	Y527-G529 PolarHBondContact O-N 2.79Å; Y527-G529 VanDerWaalsContact O-N 3.08Å
530	K	89.6	Confident	91.7	Very high	120 Å²	120	77.3 Å²	77.3	52%	0.522	38%	0.383	S	S	.	.			trans	-130	129.8	177.5	-62.2	-174.4	-179.6	-175	0	110.8	Y527 Q528 F532	Y527-K530 PolarHBondContact O-N 3.44Å; Q528-K530 VanDerWaalsContact C-N 3.33Å; Q528-K530 PolarHBondContact O-N 2.86Å; K530-F532 HydrophobicContact CB-CD2 4.48Å; K530-F532 HydrophobicContact CB-CE2 3.7Å; K530-F532 HydrophobicContact CB-CZ 4.04Å; K530-F532 HydrophobicContact CD-CE2 4.28Å; K530-F532 HydrophobicContact CD-CZ 4.13Å
531	M	86.3	Confident	91.6	Very high	45 Å²	45	76.6 Å²	76.6	22%	0.222	38%	0.381	C	S	.	.			trans	-105.9	136	176.1	-161.4	178.4	77.5	0	0	110	S491 Q494 Y495 K498 Y527	S491-M531 PolarHBondContact O-N 3.38Å; Q494-M531 HydrophobicContact CB-CE 4.46Å; Y495-M531 HydrophobicContact CD2-CB 4.45Å; K498-M531 HydrophobicContact CB-CE 4Å; K498-M531 HydrophobicContact CB-SD 3.66Å; K498-M531 HydrophobicContact CD-CE 4.37Å; K498-M531 HydrophobicContact CD-SD 4.33Å; K498-M531 HydrophobicContact CG-CE 4.21Å; K498-M531 HydrophobicContact CG-SD 3.64Å; Y527-M531 HydrophobicContact CD1-CG 4.14Å; Y527-M531 HydrophobicContact CE1-CG 4.09Å
532	F	89	Confident	91.4	Very high	120 Å²	120	79.1 Å²	79.1	53%	0.526	40%	0.395	S	S	.	.			trans	-137.4	145.7	174.4	-57.9	-71.5	0	0	0	108.2	K530 E534 I537	K530-F532 HydrophobicContact CB-CD2 4.48Å; K530-F532 HydrophobicContact CB-CE2 3.7Å; K530-F532 HydrophobicContact CB-CZ 4.04Å; K530-F532 HydrophobicContact CD-CE2 4.28Å; K530-F532 HydrophobicContact CD-CZ 4.13Å; F532-E534 PolarHBondContact O-N 3.29Å; F532-I537 HydrophobicContact CB-CD1 4.03Å
533	D	88.5	Confident	91.2	Very high	105 Å²	105	79.7 Å²	79.7	56%	0.561	40%	0.4	S	S	*	.			trans	-88.7	90.1	168.9	-164.3	-38.1	0	0	0	108.8	E535 S536 I537	D533-E535 PolarHBondContact O-N 2.81Å; D533-E535 PolarHBondContact OD1-N 3.19Å; D533-S536 PolarHBondContact O-N 2.88Å; D533-S536 PolarHBondContact OD1-N 3.15Å; D533-I537 WeakPolarHBondContact O-CB 3.49Å; D533-I537 WeakPolarHBondContact O-CD1 3.39Å; D533-I537 WeakPolarHBondContact O-CG1 3.5Å; D533-I537 PolarHBondContact O-N 3.31Å
534	E	88.4	Confident	91	Very high	82 Å²	82	81.2 Å²	81.2	38%	0.383	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-28.5	-176.6	-169.1	170.5	-169	0	0	112.1	R526 F532 L538	R526-E534 IonicContact NH2-OE2 3.53Å; F532-E534 PolarHBondContact O-N 3.29Å; E534-L538 HydrophobicContact CG-CD1 4.09Å; E534-L538 VanDerWaalsContact O-CB 3.32Å; E534-L538 WeakPolarHBondContact O-CB 3.47Å; E534-L538 WeakPolarHBondContact O-CG 3.36Å; E534-L538 PolarHBondContact O-N 2.79Å; E534-L538 VanDerWaalsContact O-N 3.15Å
535	E	88.1	Confident	90.9	Very high	122 Å²	122	80 Å²	80	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-79.1	-39.5	178.3	-66.1	-175.1	-134.3	0	0	111.6	D533 G539 R580	D533-E535 PolarHBondContact O-N 2.81Å; D533-E535 PolarHBondContact OD1-N 3.19Å; E535-G539 PolarHBondContact O-N 3.07Å; E535-R580 IonicContact OE1-CZ 2.78Å; E535-R580 IonicContact OE1-NH1 2.62Å; E535-R580 PolarHBondContact OE1-NH1 3.26Å; E535-R580 IonicContact OE1-NH2 2.67Å; E535-R580 IonicContact OE2-CZ 2.75Å; E535-R580 IonicContact OE2-NH1 3.05Å; E535-R580 PolarHBondContact OE2-NH1 3.38Å; E535-R580 IonicContact OE2-NH2 3.28Å; E535-R580 PolarHBondContact OE2-NH2 3.14Å
536	S	91.6	Very high	90.9	Very high	57 Å²	57	79.7 Å²	79.7	40%	0.399	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-49.6	171.6	-164.9	0	0	0	0	111.6	D533 L538 G539 E540	D533-S536 PolarHBondContact O-N 2.88Å; D533-S536 PolarHBondContact OD1-N 3.15Å; S536-L538 PolarHBondContact O-N 2.88Å; S536-G539 CarbonylContact O-C 3.57Å; S536-G539 WeakPolarHBondContact O-CA 3.3Å; S536-G539 PolarHBondContact O-N 3.49Å; S536-E540 WeakPolarHBondContact O-CG 3.28Å; S536-E540 PolarHBondContact O-N 3.21Å; S536-E540 PolarHBondContact OG-OE1 3.22Å
537	I	93.3	Very high	90.7	Very high	78 Å²	78	81 Å²	81	40%	0.4	42%	0.417	S	S	.	.	H	α-helix	trans	-62.3	-42.7	-175.9	-67.6	164.4	0	0	0	111.2	F532 D533 G539 L541	F532-I537 HydrophobicContact CB-CD1 4.03Å; D533-I537 WeakPolarHBondContact O-CB 3.49Å; D533-I537 WeakPolarHBondContact O-CD1 3.39Å; D533-I537 WeakPolarHBondContact O-CG1 3.5Å; D533-I537 PolarHBondContact O-N 3.31Å; I537-G539 VanDerWaalsContact C-N 3.31Å; I537-L541 WeakPolarHBondContact O-CG 3.29Å
538	L	91.7	Very high	90.7	Very high	33 Å²	33	84.3 Å²	84.3	17%	0.173	43%	0.434	C	S	.	.	H	α-helix	trans	-73.1	-23.9	175.6	-66.1	175.3	0	0	0	112.5	E534 S536 L541 R546 I549 I550	E534-L538 HydrophobicContact CG-CD1 4.09Å; E534-L538 VanDerWaalsContact O-CB 3.32Å; E534-L538 WeakPolarHBondContact O-CB 3.47Å; E534-L538 WeakPolarHBondContact O-CG 3.36Å; E534-L538 PolarHBondContact O-N 2.79Å; E534-L538 VanDerWaalsContact O-N 3.15Å; S536-L538 PolarHBondContact O-N 2.88Å; L538-L541 HydrophobicContact CD2-CD1 4.34Å; L538-R546 HydrophobicContact CB-CG 4.36Å; L538-R546 HydrophobicContact CD2-CG 4.38Å; L538-R546 VanDerWaalsContact O-CZ 3.3Å; L538-R546 PolarHBondContact O-NE 2.67Å; L538-R546 PolarHBondContact O-NH2 3.36Å; L538-I549 HydrophobicContact CD2-CG2 4.19Å; L538-I550 HydrophobicContact CD1-CD1 4.46Å
539	G	91.8	Very high	90.8	Very high	51 Å²	51	81.3 Å²	81.3	53%	0.526	42%	0.422	S	S	.	.	H	α-helix	trans	-73.4	-32.8	173.5	0	0	0	0	0	114.1	E535 S536 I537 L541	E535-G539 PolarHBondContact O-N 3.07Å; S536-G539 CarbonylContact O-C 3.57Å; S536-G539 WeakPolarHBondContact O-CA 3.3Å; S536-G539 PolarHBondContact O-N 3.49Å; I537-G539 VanDerWaalsContact C-N 3.31Å; G539-L541 VanDerWaalsContact C-N 3.31Å
540	E	92.9	Very high	91.1	Very high	149 Å²	149	81.2 Å²	81.2	70%	0.696	42%	0.415	S	S	*	.	H	α-helix	trans	-73.3	-21.1	175	-71.6	164.6	-130.8	0	0	113	S536	S536-E540 WeakPolarHBondContact O-CG 3.28Å; S536-E540 PolarHBondContact O-N 3.21Å; S536-E540 PolarHBondContact OG-OE1 3.22Å
541	L	93.6	Very high	91.1	Very high	53 Å²	53	77.9 Å²	77.9	28%	0.277	40%	0.403	S	S	.	.	S	Bend	trans	-84.1	150	176.1	-66.2	176	0	0	0	112.5	I537 L538 G539 L545 R546 I549	I537-L541 WeakPolarHBondContact O-CG 3.29Å; L538-L541 HydrophobicContact CD2-CD1 4.34Å; G539-L541 VanDerWaalsContact C-N 3.31Å; L541-L545 HydrophobicContact CB-CB 4.49Å; L541-L545 HydrophobicContact CD2-CD1 4.27Å; L541-R546 PolarHBondContact O-NH2 2.92Å; L541-R546 VanDerWaalsContact O-NH2 3.09Å; L541-I549 HydrophobicContact CD1-CD1 3.48Å; L541-I549 VanDerWaalsContact CD1-CD1 3.48Å
542	N	93.5	Very high	91.4	Very high	94 Å²	94	81.5 Å²	81.5	50%	0.503	42%	0.418	S	S	.	.			trans	-70.7	160.6	170.8	71.8	1.4	0	0	0	111.7	L545 R546	N542-L545 PolarHBondContact O-N 3.47Å; N542-L545 VanDerWaalsContact OD1-CB 3.27Å; N542-L545 WeakPolarHBondContact OD1-CB 3.44Å; N542-L545 WeakPolarHBondContact OD1-CD1 3.27Å; N542-L545 WeakPolarHBondContact OD1-CG 3.25Å; N542-L545 PolarHBondContact OD1-N 3.07Å; N542-R546 PolarHBondContact O-N 3.07Å
543	E	90.1	Very high	91.5	Very high	89 Å²	89	79 Å²	79	42%	0.416	41%	0.41	S	S	.	.	H	α-helix	trans	-55.8	-46.3	-175	-143.6	63.2	-129.5	0	0	113.5	L545 R546 E547	E543-L545 PolarHBondContact O-N 3.08Å; E543-R546 WeakPolarHBondContact O-CB 3.39Å; E543-R546 PolarHBondContact O-N 2.94Å; E543-R546 VanDerWaalsContact O-N 3.12Å; E543-R546 WeakPolarHBondContact OE1-CD 3.47Å; E543-R546 IonicContact OE1-CZ 2.79Å; E543-R546 IonicContact OE1-NE 2.7Å; E543-R546 IonicContact OE1-NH1 2.96Å; E543-R546 PolarHBondContact OE1-NH1 2.66Å; E543-R546 IonicContact OE2-CZ 3.85Å; E543-R546 IonicContact OE2-NH1 3.32Å; E543-R546 PolarHBondContact OE2-NH1 3.16Å; E543-R546 IonicContact OE2-NH2 2.75Å; E543-E547 WeakPolarHBondContact O-CG 3.35Å; E543-E547 PolarHBondContact O-N 3.1Å
544	P	91.3	Very high	91.6	Very high	80 Å²	80	74.2 Å²	74.2	52%	0.519	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-38.6	-179.4	-25.6	36.4	0	0	0	114.2	E548	P544-E548 WeakPolarHBondContact O-CB 3.32Å; P544-E548 PolarHBondContact O-N 3.46Å
545	L	93.2	Very high	91.7	Very high	77 Å²	77	76.9 Å²	76.9	40%	0.403	39%	0.391	S	S	.	.	H	α-helix	trans	-71.2	-34.9	175.5	-70.1	173	0	0	0	111.6	L541 N542 E543 E548 I549	L541-L545 HydrophobicContact CB-CB 4.49Å; L541-L545 HydrophobicContact CD2-CD1 4.27Å; N542-L545 PolarHBondContact O-N 3.47Å; N542-L545 VanDerWaalsContact OD1-CB 3.27Å; N542-L545 WeakPolarHBondContact OD1-CB 3.44Å; N542-L545 WeakPolarHBondContact OD1-CD1 3.27Å; N542-L545 WeakPolarHBondContact OD1-CG 3.25Å; N542-L545 PolarHBondContact OD1-N 3.07Å; E543-L545 PolarHBondContact O-N 3.08Å; L545-E548 PolarHBondContact O-N 2.84Å; L545-I549 WeakPolarHBondContact O-CB 3.26Å; L545-I549 WeakPolarHBondContact O-CD1 3.4Å; L545-I549 WeakPolarHBondContact O-CG1 3.45Å; L545-I549 PolarHBondContact O-N 3.07Å
546	R	91.9	Very high	91.7	Very high	55 Å²	55	79.1 Å²	79.1	21%	0.208	40%	0.399	C	S	.	.	H	α-helix	trans	-62.6	-48.3	173.2	-172.9	-173	-59	144	9.3	110.7	L538 L541 N542 E543 I549 I550	L538-R546 HydrophobicContact CB-CG 4.36Å; L538-R546 HydrophobicContact CD2-CG 4.38Å; L538-R546 VanDerWaalsContact O-CZ 3.3Å; L538-R546 PolarHBondContact O-NE 2.67Å; L538-R546 PolarHBondContact O-NH2 3.36Å; L541-R546 PolarHBondContact O-NH2 2.92Å; L541-R546 VanDerWaalsContact O-NH2 3.09Å; N542-R546 PolarHBondContact O-N 3.07Å; E543-R546 WeakPolarHBondContact O-CB 3.39Å; E543-R546 PolarHBondContact O-N 2.94Å; E543-R546 VanDerWaalsContact O-N 3.12Å; E543-R546 WeakPolarHBondContact OE1-CD 3.47Å; E543-R546 IonicContact OE1-CZ 2.79Å; E543-R546 IonicContact OE1-NE 2.7Å; E543-R546 IonicContact OE1-NH1 2.96Å; E543-R546 PolarHBondContact OE1-NH1 2.66Å; E543-R546 IonicContact OE2-CZ 3.85Å; E543-R546 IonicContact OE2-NH1 3.32Å; E543-R546 PolarHBondContact OE2-NH1 3.16Å; E543-R546 IonicContact OE2-NH2 2.75Å; R546-I549 PolarHBondContact O-N 3.5Å; R546-I550 HydrophobicContact CG-CD1 3.81Å; R546-I550 VanDerWaalsContact O-CB 3.3Å; R546-I550 WeakPolarHBondContact O-CB 3.44Å; R546-I550 VanDerWaalsContact O-CG1 3.25Å; R546-I550 WeakPolarHBondContact O-CG1 3.43Å; R546-I550 PolarHBondContact O-N 3.28Å
547	E	90.5	Very high	91.6	Very high	77 Å²	77	76.5 Å²	76.5	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-60.1	-44.3	175.9	-72.4	177.7	174.9	0	0	112.1	E543 I550 N551 T573 T577	E543-E547 WeakPolarHBondContact O-CG 3.35Å; E543-E547 PolarHBondContact O-N 3.1Å; E547-I550 PolarHBondContact O-N 3.24Å; E547-N551 VanDerWaalsContact O-CB 3.25Å; E547-N551 WeakPolarHBondContact O-CB 3.32Å; E547-N551 PolarHBondContact O-N 3.35Å; E547-N551 PolarHBondContact O-ND2 2.7Å; E547-T573 HydrophobicContact CB-CG2 4.06Å; E547-T573 HydrophobicContact CG-CG2 3.67Å; E547-T577 HydrophobicContact CG-CG2 4.14Å
548	E	91.6	Very high	91.3	Very high	131 Å²	131	74.2 Å²	74.2	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-63.4	-46.9	178.4	-172.7	179.1	-174.6	0	0	111.8	P544 L545 N551 F552	P544-E548 WeakPolarHBondContact O-CB 3.32Å; P544-E548 PolarHBondContact O-N 3.46Å; L545-E548 PolarHBondContact O-N 2.84Å; E548-N551 PolarHBondContact O-N 3.36Å; E548-F552 WeakPolarHBondContact O-CB 3.38Å; E548-F552 PolarHBondContact O-N 2.96Å
549	I	93.5	Very high	91.1	Very high	65 Å²	65	76.6 Å²	76.6	33%	0.333	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-44.5	178.1	-70.5	166.2	0	0	0	111.1	L538 L541 L545 R546 F552 N553	L538-I549 HydrophobicContact CD2-CG2 4.19Å; L541-I549 HydrophobicContact CD1-CD1 3.48Å; L541-I549 VanDerWaalsContact CD1-CD1 3.48Å; L545-I549 WeakPolarHBondContact O-CB 3.26Å; L545-I549 WeakPolarHBondContact O-CD1 3.4Å; L545-I549 WeakPolarHBondContact O-CG1 3.45Å; L545-I549 PolarHBondContact O-N 3.07Å; R546-I549 PolarHBondContact O-N 3.5Å; I549-F552 PolarHBondContact O-N 3.4Å; I549-N553 WeakPolarHBondContact O-CB 3.22Å; I549-N553 VanDerWaalsContact O-CG 3.27Å; I549-N553 PolarHBondContact O-N 2.89Å; I549-N553 PolarHBondContact O-ND2 3.34Å
550	I	92	Very high	90.7	Very high	22 Å²	22	76.1 Å²	76.1	11%	0.113	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-44.1	179.8	-72.5	177.5	0	0	0	110.6	L538 R546 E547 F552 N553 C554 L576 T577	L538-I550 HydrophobicContact CD1-CD1 4.46Å; R546-I550 HydrophobicContact CG-CD1 3.81Å; R546-I550 VanDerWaalsContact O-CB 3.3Å; R546-I550 WeakPolarHBondContact O-CB 3.44Å; R546-I550 VanDerWaalsContact O-CG1 3.25Å; R546-I550 WeakPolarHBondContact O-CG1 3.43Å; R546-I550 PolarHBondContact O-N 3.28Å; E547-I550 PolarHBondContact O-N 3.24Å; I550-F552 VanDerWaalsContact C-N 3.35Å; I550-F552 PolarHBondContact O-N 3.46Å; I550-N553 PolarHBondContact O-N 3.01Å; I550-C554 VanDerWaalsContact O-CB 3.29Å; I550-C554 WeakPolarHBondContact O-CB 3.45Å; I550-C554 PolarHBondContact O-N 2.67Å; I550-C554 PolarHBondContact O-SG 2.76Å; I550-L576 HydrophobicContact CG2-CB 3.69Å; I550-T577 HydrophobicContact CD1-CG2 4.3Å
551	N	90.6	Very high	90.3	Very high	50 Å²	50	69 Å²	69	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-43.7	171.9	-85.9	-68.2	0	0	0	111.6	E547 E548 N553 C554 R555 L576	E547-N551 VanDerWaalsContact O-CB 3.25Å; E547-N551 WeakPolarHBondContact O-CB 3.32Å; E547-N551 PolarHBondContact O-N 3.35Å; E547-N551 PolarHBondContact O-ND2 2.7Å; E548-N551 PolarHBondContact O-N 3.36Å; N551-N553 PolarHBondContact O-N 2.81Å; N551-C554 PolarHBondContact O-N 3.26Å; N551-R555 WeakPolarHBondContact O-CA 3.24Å; N551-R555 WeakPolarHBondContact O-CB 3.34Å; N551-R555 PolarHBondContact O-N 3.03Å; N551-L576 WeakPolarHBondContact OD1-CD1 2.89Å
552	F	92.3	Very high	89.4	Confident	121 Å²	121	67.4 Å²	67.4	53%	0.531	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-38	177.3	-179.2	-88.5	0	0	0	113.4	E548 I549 I550 R555	E548-F552 WeakPolarHBondContact O-CB 3.38Å; E548-F552 PolarHBondContact O-N 2.96Å; I549-F552 PolarHBondContact O-N 3.4Å; I550-F552 VanDerWaalsContact C-N 3.35Å; I550-F552 PolarHBondContact O-N 3.46Å; F552-R555 VanDerWaalsContact CE2-CZ 3.45Å; F552-R555 VanDerWaalsContact O-CD 3.31Å; F552-R555 WeakPolarHBondContact O-CD 3.5Å; F552-R555 VanDerWaalsContact O-CG 3.3Å; F552-R555 WeakPolarHBondContact O-CG 3.38Å; F552-R555 PolarHBondContact O-NE 2.89Å
553	N	91	Very high	88.6	Confident	69 Å²	69	63 Å²	63	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-72.4	-33.9	177.1	-74.2	-18.8	0	0	0	112.4	I549 I550 N551	I549-N553 WeakPolarHBondContact O-CB 3.22Å; I549-N553 VanDerWaalsContact O-CG 3.27Å; I549-N553 PolarHBondContact O-N 2.89Å; I549-N553 PolarHBondContact O-ND2 3.34Å; I550-N553 PolarHBondContact O-N 3.01Å; N551-N553 PolarHBondContact O-N 2.81Å
554	C	91.6	Very high	88.3	Confident	3 Å²	3	59 Å²	59	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-98.1	-9.4	-175.9	-65.9	0	0	0	0	114.6	I550 N551 K556 L557 V558 L576	I550-C554 VanDerWaalsContact O-CB 3.29Å; I550-C554 WeakPolarHBondContact O-CB 3.45Å; I550-C554 PolarHBondContact O-N 2.67Å; I550-C554 PolarHBondContact O-SG 2.76Å; N551-C554 PolarHBondContact O-N 3.26Å; C554-K556 PolarHBondContact O-N 3.32Å; C554-L557 WeakPolarHBondContact O-CA 3.43Å; C554-L557 VanDerWaalsContact O-CB 3.32Å; C554-L557 WeakPolarHBondContact O-CB 3.41Å; C554-L557 PolarHBondContact O-N 3.35Å; C554-V558 PolarHBondContact O-N 3.34Å; C554-L576 HydrophobicContact CB-CD1 3.86Å; C554-L576 HydrophobicContact CB-CD2 3.53Å; C554-L576 HydrophobicContact CB-CG 4.27Å
555	R	90.2	Very high	87.7	Confident	139 Å²	139	58 Å²	58	53%	0.525	30%	0.299	S	S	.	.	H	α-helix	trans	-49	-33.8	-176.5	65.1	-168	161	136.4	0.9	115.6	N551 F552 A559	N551-R555 WeakPolarHBondContact O-CA 3.24Å; N551-R555 WeakPolarHBondContact O-CB 3.34Å; N551-R555 PolarHBondContact O-N 3.03Å; F552-R555 VanDerWaalsContact CE2-CZ 3.45Å; F552-R555 VanDerWaalsContact O-CD 3.31Å; F552-R555 WeakPolarHBondContact O-CD 3.5Å; F552-R555 VanDerWaalsContact O-CG 3.3Å; F552-R555 WeakPolarHBondContact O-CG 3.38Å; F552-R555 PolarHBondContact O-NE 2.89Å; R555-A559 WeakPolarHBondContact O-CB 3.21Å; R555-A559 PolarHBondContact O-N 3.07Å
556	K	88.4	Confident	86.9	Confident	168 Å²	168	58.4 Å²	58.4	73%	0.73	30%	0.301	S	S	*	.	H	α-helix	trans	-66	-45.4	174.2	-71.7	-169.7	175.8	-172.3	0	111.9	C554 S560	C554-K556 PolarHBondContact O-N 3.32Å; K556-S560 VanDerWaalsContact O-CB 3.27Å; K556-S560 WeakPolarHBondContact O-CB 3.33Å; K556-S560 PolarHBondContact O-N 3.14Å; K556-S560 PolarHBondContact O-OG 2.99Å
557	L	88.9	Confident	86.6	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-48.5	175.9	177.6	64.8	0	0	0	110.4	C554 A559 S560 M561 F564 F602 Y650	C554-L557 WeakPolarHBondContact O-CA 3.43Å; C554-L557 VanDerWaalsContact O-CB 3.32Å; C554-L557 WeakPolarHBondContact O-CB 3.41Å; C554-L557 PolarHBondContact O-N 3.35Å; L557-A559 PolarHBondContact O-N 3.42Å; L557-S560 WeakPolarHBondContact CA-OG 3.29Å; L557-S560 PolarHBondContact O-N 3.12Å; L557-S560 VanDerWaalsContact O-N 3.16Å; L557-S560 PolarHBondContact O-OG 3.47Å; L557-M561 VanDerWaalsContact O-CB 3.27Å; L557-M561 WeakPolarHBondContact O-CB 3.09Å; L557-M561 PolarHBondContact O-N 2.93Å; L557-F564 HydrophobicContact CD2-CE2 4.43Å; L557-F564 HydrophobicContact CG-CE2 4.46Å; L557-F602 HydrophobicContact CD1-CB 4.11Å; L557-F602 HydrophobicContact CD2-CB 3.74Å; L557-F602 HydrophobicContact CD2-CG 4.35Å; L557-Y650 HydrophobicContact CD2-CD2 4.02Å
558	V	87.7	Confident	86.4	Confident	29 Å²	29	56.3 Å²	56.3	18%	0.176	30%	0.299	C	S	.	.	H	α-helix	trans	-54.1	-53	177	175.8	0	0	0	0	111.4	C554 S560 M561 F564 V572 L576	C554-V558 PolarHBondContact O-N 3.34Å; V558-S560 VanDerWaalsContact C-N 3.28Å; V558-S560 PolarHBondContact O-N 3.14Å; V558-M561 PolarHBondContact O-N 3.45Å; V558-F564 HydrophobicContact CB-CB 4.5Å; V558-F564 HydrophobicContact CG1-CB 4.14Å; V558-V572 HydrophobicContact CG1-CG1 4.18Å; V558-V572 HydrophobicContact CG2-CG1 3.88Å; V558-L576 HydrophobicContact CG2-CD1 3.79Å; V558-L576 HydrophobicContact CG2-CD2 4.23Å; V558-L576 HydrophobicContact CG2-CG 4.47Å
559	A	85.8	Confident	86.3	Confident	83 Å²	83	54.4 Å²	54.4	69%	0.686	30%	0.299	S	S	*	.	H	α-helix	trans	-67.1	-26	-179.5	0	0	0	0	0	113.8	R555 L557	R555-A559 WeakPolarHBondContact O-CB 3.21Å; R555-A559 PolarHBondContact O-N 3.07Å; L557-A559 PolarHBondContact O-N 3.42Å
560	S	83.4	Confident	86.1	Confident	42 Å²	42	56.1 Å²	56.1	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-87.7	-15.4	179.3	66.3	0	0	0	0	114.8	K556 L557 V558 G623	K556-S560 VanDerWaalsContact O-CB 3.27Å; K556-S560 WeakPolarHBondContact O-CB 3.33Å; K556-S560 PolarHBondContact O-N 3.14Å; K556-S560 PolarHBondContact O-OG 2.99Å; L557-S560 WeakPolarHBondContact CA-OG 3.29Å; L557-S560 PolarHBondContact O-N 3.12Å; L557-S560 VanDerWaalsContact O-N 3.16Å; L557-S560 PolarHBondContact O-OG 3.47Å; V558-S560 VanDerWaalsContact C-N 3.28Å; V558-S560 PolarHBondContact O-N 3.14Å; S560-G623 WeakPolarHBondContact OG-CA 3.09Å
561	M	84.4	Confident	86.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.			trans	-110	113.1	-170.8	-165.8	176.2	116.4	0	0	110.5	L557 V558 L563 F564 A565 F602 Y625	L557-M561 VanDerWaalsContact O-CB 3.27Å; L557-M561 WeakPolarHBondContact O-CB 3.09Å; L557-M561 PolarHBondContact O-N 2.93Å; V558-M561 PolarHBondContact O-N 3.45Å; M561-L563 HydrophobicContact CE-CB 3.82Å; M561-L563 HydrophobicContact CE-CD2 3.5Å; M561-L563 VanDerWaalsContact CE-CD2 3.5Å; M561-L563 HydrophobicContact CE-CG 4.28Å; M561-L563 PolarHBondContact O-N 3.19Å; M561-L563 VanDerWaalsContact O-N 3.1Å; M561-F564 HydrophobicContact CB-CD2 4Å; M561-F564 HydrophobicContact CE-CD1 3.87Å; M561-F564 HydrophobicContact CE-CD2 3.53Å; M561-F564 HydrophobicContact CE-CE1 3.7Å; M561-F564 HydrophobicContact CE-CE2 3.35Å; M561-F564 HydrophobicContact CE-CG 3.79Å; M561-F564 HydrophobicContact CE-CZ 3.43Å; M561-F564 VanDerWaalsContact CE-CZ 3.43Å; M561-F564 HydrophobicContact CG-CD2 4.28Å; M561-F564 PolarHBondContact O-N 3.37Å; M561-F564 HydrophobicContact SD-CD2 3.72Å; M561-F564 HydrophobicContact SD-CE2 3.56Å; M561-F564 VanDerWaalsContact SD-CE2 3.56Å; M561-F564 HydrophobicContact SD-CG 4.48Å; M561-F564 HydrophobicContact SD-CZ 4.21Å; M561-A565 PolarHBondContact O-N 3.41Å; M561-F602 HydrophobicContact CE-CD1 4.03Å; M561-F602 HydrophobicContact CE-CE1 3.69Å; M561-F602 HydrophobicContact SD-CD1 3.56Å; M561-F602 VanDerWaalsContact SD-CD1 3.56Å; M561-F602 HydrophobicContact SD-CE1 3.88Å; M561-Y625 HydrophobicContact CE-CD1 4.07Å; M561-Y625 HydrophobicContact CE-CE1 4.37Å; M561-Y625 HydrophobicContact CG-CD1 4.22Å; M561-Y625 HydrophobicContact SD-CD1 3.78Å; M561-Y625 HydrophobicContact SD-CG 4.39Å
562	P	75.6	Confident	86.1	Confident	19 Å²	19	53.1 Å²	53.1	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-34.5	-171.5	-26.6	34.6	0	0	0	114	F564 A565 N566 H716	P562-F564 VanDerWaalsContact C-N 3.25Å; P562-F564 PolarHBondContact O-N 2.83Å; P562-A565 PolarHBondContact O-N 3.09Å; P562-N566 PolarHBondContact O-N 2.94Å; P562-N566 VanDerWaalsContact O-N 3.11Å; P562-H716 HydrophobicContact CB-CB 4.09Å; P562-H716 HydrophobicContact CG-CB 3.77Å; P562-H716 VanDerWaalsContact CG-CD2 3.49Å; P562-H716 WeakPolarHBondContact CG-CD2 3.29Å; P562-H716 WeakPolarHBondContact CG-ND1 3.38Å
563	L	77.1	Confident	86	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-69.9	-17.3	178.6	-175.4	132.1	0	0	0	113.5	M561 A567 F571 M667 A670 F671 I713	M561-L563 HydrophobicContact CE-CB 3.82Å; M561-L563 HydrophobicContact CE-CD2 3.5Å; M561-L563 VanDerWaalsContact CE-CD2 3.5Å; M561-L563 HydrophobicContact CE-CG 4.28Å; M561-L563 PolarHBondContact O-N 3.19Å; M561-L563 VanDerWaalsContact O-N 3.1Å; L563-A567 WeakPolarHBondContact O-CB 3.35Å; L563-F571 HydrophobicContact CD2-CE1 4.36Å; L563-M667 HydrophobicContact CD1-SD 3.71Å; L563-M667 HydrophobicContact CD2-CG 4.38Å; L563-M667 HydrophobicContact CD2-SD 3.96Å; L563-M667 HydrophobicContact CG-SD 3.52Å; L563-M667 VanDerWaalsContact CG-SD 3.52Å; L563-A670 HydrophobicContact CD1-CB 4.24Å; L563-F671 HydrophobicContact CD1-CD1 4.16Å; L563-F671 HydrophobicContact CD1-CD2 4.35Å; L563-F671 HydrophobicContact CD1-CE1 4.1Å; L563-F671 HydrophobicContact CD1-CE2 4.31Å; L563-F671 HydrophobicContact CD1-CG 4.28Å; L563-F671 HydrophobicContact CD1-CZ 4.19Å; L563-F671 HydrophobicContact CD2-CE1 3.99Å; L563-F671 HydrophobicContact CD2-CE2 3.73Å; L563-F671 HydrophobicContact CD2-CZ 3.42Å; L563-F671 VanDerWaalsContact CD2-CZ 3.42Å; L563-F671 HydrophobicContact CG-CZ 4.48Å; L563-I713 HydrophobicContact CB-CG2 4.34Å; L563-I713 HydrophobicContact CD1-CG2 4.23Å
564	F	82.9	Confident	86	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-99.9	-34.4	168.8	-63.8	-34.7	0	0	0	112.2	L557 V558 M561 P562 N566 A567 F571 V572 M575 F602	L557-F564 HydrophobicContact CD2-CE2 4.43Å; L557-F564 HydrophobicContact CG-CE2 4.46Å; V558-F564 HydrophobicContact CB-CB 4.5Å; V558-F564 HydrophobicContact CG1-CB 4.14Å; M561-F564 HydrophobicContact CB-CD2 4Å; M561-F564 HydrophobicContact CE-CD1 3.87Å; M561-F564 HydrophobicContact CE-CD2 3.53Å; M561-F564 HydrophobicContact CE-CE1 3.7Å; M561-F564 HydrophobicContact CE-CE2 3.35Å; M561-F564 HydrophobicContact CE-CG 3.79Å; M561-F564 HydrophobicContact CE-CZ 3.43Å; M561-F564 VanDerWaalsContact CE-CZ 3.43Å; M561-F564 HydrophobicContact CG-CD2 4.28Å; M561-F564 PolarHBondContact O-N 3.37Å; M561-F564 HydrophobicContact SD-CD2 3.72Å; M561-F564 HydrophobicContact SD-CE2 3.56Å; M561-F564 VanDerWaalsContact SD-CE2 3.56Å; M561-F564 HydrophobicContact SD-CG 4.48Å; M561-F564 HydrophobicContact SD-CZ 4.21Å; P562-F564 VanDerWaalsContact C-N 3.25Å; P562-F564 PolarHBondContact O-N 2.83Å; F564-N566 VanDerWaalsContact C-N 3.29Å; F564-N566 PolarHBondContact O-N 2.96Å; F564-A567 PolarHBondContact O-N 3.3Å; F564-F571 AromaticContact CD1-CE1 3.87Å; F564-F571 HydrophobicContact CD1-CE1 3.87Å; F564-F571 AromaticContact CE1-CE1 3.83Å; F564-F571 HydrophobicContact CE1-CE1 3.83Å; F564-F571 HydrophobicContact CE1-CZ 4.23Å; F564-V572 HydrophobicContact CB-CG2 4.12Å; F564-V572 HydrophobicContact CD1-CG2 4.21Å; F564-V572 HydrophobicContact CG-CG2 4.49Å; F564-M575 HydrophobicContact CE1-CB 4.34Å; F564-M575 HydrophobicContact CE1-CG 3.86Å; F564-M575 HydrophobicContact CZ-CG 3.87Å; F564-F602 HydrophobicContact CE2-CD1 4.28Å; F564-F602 HydrophobicContact CE2-CE1 4.23Å; F564-F602 HydrophobicContact CZ-CD1 4.36Å; F564-F602 AromaticContact CZ-CE1 3.87Å; F564-F602 HydrophobicContact CZ-CE1 3.87Å; F564-F602 HydrophobicContact CZ-CZ 4.1Å
565	A	80.1	Confident	86.1	Confident	58 Å²	58	46.5 Å²	46.5	48%	0.479	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-32.9	178.2	0	0	0	0	0	113.6	M561 P562	M561-A565 PolarHBondContact O-N 3.41Å; P562-A565 PolarHBondContact O-N 3.09Å
566	N	76.3	Confident	86.2	Confident	86 Å²	86	40 Å²	40	46%	0.46	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	15	-178.4	-65.5	-7.7	0	0	0	113.7	P562 F564	P562-N566 PolarHBondContact O-N 2.94Å; P562-N566 VanDerWaalsContact O-N 3.11Å; F564-N566 VanDerWaalsContact C-N 3.29Å; F564-N566 PolarHBondContact O-N 2.96Å
567	A	84.6	Confident	86.3	Confident	19 Å²	19	34 Å²	34	16%	0.157	22%	0.219	C	C	.	.	S	Bend	trans	-105.5	167.3	-174.9	0	0	0	0	0	113.7	L563 F564 P569 F571 V572 M667	L563-A567 WeakPolarHBondContact O-CB 3.35Å; F564-A567 PolarHBondContact O-N 3.3Å; A567-P569 WeakPolarHBondContact O-CD 3.43Å; A567-F571 HydrophobicContact CB-CD1 3.83Å; A567-F571 HydrophobicContact CB-CE1 4.4Å; A567-V572 HydrophobicContact CB-CG2 4.05Å; A567-M667 HydrophobicContact CB-CE 3.6Å
568	D	86.9	Confident	86.5	Confident	69 Å²	69	36.6 Å²	36.6	37%	0.369	23%	0.23	S	C	.	.			trans	-60.1	125.5	167.5	-176.8	-12.1	0	0	0	110.2	N570 F571 V572	D568-N570 PolarHBondContact O-N 2.75Å; D568-N570 VanDerWaalsContact O-N 3.11Å; D568-N570 WeakPolarHBondContact OD1-CB 3.27Å; D568-N570 PolarHBondContact OD1-N 3.06Å; D568-N570 PolarHBondContact OD1-ND2 2.79Å; D568-N570 PolarHBondContact OD2-ND2 2.87Å; D568-F571 HydrophobicContact CB-CB 4.31Å; D568-F571 WeakPolarHBondContact O-CB 3.26Å; D568-F571 PolarHBondContact O-N 3.09Å; D568-V572 PolarHBondContact O-N 2.88Å
569	P	88.4	Confident	86.8	Confident	92 Å²	92	36.1 Å²	36.1	60%	0.597	23%	0.227	S	C	*	.	H	α-helix	trans	-53.4	-26.7	173.6	-28.1	36.5	0	0	0	114.8	A567 V572 T573	A567-P569 WeakPolarHBondContact O-CD 3.43Å; P569-V572 PolarHBondContact O-N 3.24Å; P569-T573 WeakPolarHBondContact O-CB 3.38Å; P569-T573 PolarHBondContact O-N 2.65Å; P569-T573 PolarHBondContact O-OG1 3.13Å
570	N	89.9	Confident	87.1	Confident	100 Å²	100	38.3 Å²	38.3	54%	0.535	22%	0.217	S	C	.	.	H	α-helix	trans	-68.1	-47.1	174.5	-57.6	-64.2	0	0	0	111	D568 V572 T573 S574 Y664	D568-N570 PolarHBondContact O-N 2.75Å; D568-N570 VanDerWaalsContact O-N 3.11Å; D568-N570 WeakPolarHBondContact OD1-CB 3.27Å; D568-N570 PolarHBondContact OD1-N 3.06Å; D568-N570 PolarHBondContact OD1-ND2 2.79Å; D568-N570 PolarHBondContact OD2-ND2 2.87Å; N570-V572 VanDerWaalsContact C-N 3.32Å; N570-V572 PolarHBondContact O-N 3.03Å; N570-T573 PolarHBondContact O-N 3.19Å; N570-S574 VanDerWaalsContact O-CB 3.28Å; N570-S574 WeakPolarHBondContact O-CB 3.44Å; N570-S574 PolarHBondContact O-N 3.2Å; N570-Y664 WeakPolarHBondContact CB-OH 3.27Å
571	F	91.2	Very high	87.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-44.4	171.7	164.6	-99.7	0	0	0	111.3	L563 F564 A567 D568 S574 M575 V660 L661 Y664 M667 F671	L563-F571 HydrophobicContact CD2-CE1 4.36Å; F564-F571 AromaticContact CD1-CE1 3.87Å; F564-F571 HydrophobicContact CD1-CE1 3.87Å; F564-F571 AromaticContact CE1-CE1 3.83Å; F564-F571 HydrophobicContact CE1-CE1 3.83Å; F564-F571 HydrophobicContact CE1-CZ 4.23Å; A567-F571 HydrophobicContact CB-CD1 3.83Å; A567-F571 HydrophobicContact CB-CE1 4.4Å; D568-F571 HydrophobicContact CB-CB 4.31Å; D568-F571 WeakPolarHBondContact O-CB 3.26Å; D568-F571 PolarHBondContact O-N 3.09Å; F571-S574 PolarHBondContact O-N 3.12Å; F571-M575 HydrophobicContact CE2-CB 4.45Å; F571-M575 HydrophobicContact CE2-SD 4.23Å; F571-M575 HydrophobicContact CZ-CB 4.32Å; F571-M575 HydrophobicContact CZ-CG 4.44Å; F571-M575 HydrophobicContact CZ-SD 3.97Å; F571-M575 VanDerWaalsContact O-CB 3.27Å; F571-M575 WeakPolarHBondContact O-CB 3.4Å; F571-M575 PolarHBondContact O-N 3.28Å; F571-V660 HydrophobicContact CD2-CG1 3.63Å; F571-V660 HydrophobicContact CE2-CG1 3.7Å; F571-L661 HydrophobicContact CE2-CD2 4.08Å; F571-Y664 HydrophobicContact CB-CD1 3.83Å; F571-Y664 HydrophobicContact CB-CD2 3.87Å; F571-Y664 HydrophobicContact CB-CE1 3.94Å; F571-Y664 HydrophobicContact CB-CE2 3.96Å; F571-Y664 HydrophobicContact CB-CG 3.8Å; F571-Y664 AromaticContact CD2-CD2 3.68Å; F571-Y664 HydrophobicContact CD2-CD2 3.68Å; F571-Y664 HydrophobicContact CD2-CE2 4.43Å; F571-Y664 AromaticContact CD2-CG 3.79Å; F571-Y664 HydrophobicContact CD2-CG 3.79Å; F571-Y664 HydrophobicContact CG-CD2 4.27Å; F571-Y664 HydrophobicContact CG-CG 4.21Å; F571-M667 HydrophobicContact CD1-CE 4.35Å; F571-M667 HydrophobicContact CD1-CG 4.28Å; F571-M667 HydrophobicContact CD2-CB 4.49Å; F571-M667 HydrophobicContact CD2-CG 4.41Å; F571-M667 HydrophobicContact CE1-CE 4.35Å; F571-M667 HydrophobicContact CE1-CG 3.71Å; F571-M667 HydrophobicContact CE1-SD 4.39Å; F571-M667 HydrophobicContact CE2-CB 4.25Å; F571-M667 HydrophobicContact CE2-CG 3.87Å; F571-M667 HydrophobicContact CZ-CB 4.36Å; F571-M667 HydrophobicContact CZ-CG 3.49Å; F571-M667 VanDerWaalsContact CZ-CG 3.49Å; F571-F671 HydrophobicContact CZ-CE2 4.41Å
572	V	91.7	Very high	88.1	Confident	8 Å²	8	40.6 Å²	40.6	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-49.3	178.7	177.4	0	0	0	0	110	V558 F564 A567 D568 P569 N570 M575 L576	V558-V572 HydrophobicContact CG1-CG1 4.18Å; V558-V572 HydrophobicContact CG2-CG1 3.88Å; F564-V572 HydrophobicContact CB-CG2 4.12Å; F564-V572 HydrophobicContact CD1-CG2 4.21Å; F564-V572 HydrophobicContact CG-CG2 4.49Å; A567-V572 HydrophobicContact CB-CG2 4.05Å; D568-V572 PolarHBondContact O-N 2.88Å; P569-V572 PolarHBondContact O-N 3.24Å; N570-V572 VanDerWaalsContact C-N 3.32Å; N570-V572 PolarHBondContact O-N 3.03Å; V572-M575 PolarHBondContact O-N 3.12Å; V572-L576 HydrophobicContact CG1-CD1 3.82Å; V572-L576 HydrophobicContact CG1-CG 4.05Å; V572-L576 WeakPolarHBondContact O-CB 3.21Å; V572-L576 WeakPolarHBondContact O-CG 3.12Å; V572-L576 PolarHBondContact O-N 3.2Å
573	T	90.3	Very high	89.1	Confident	27 Å²	27	40 Å²	40	17%	0.166	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-43.9	-179.5	-56	0	0	0	0	112.1	E547 P569 N570 M575 L576 T577	E547-T573 HydrophobicContact CB-CG2 4.06Å; E547-T573 HydrophobicContact CG-CG2 3.67Å; P569-T573 WeakPolarHBondContact O-CB 3.38Å; P569-T573 PolarHBondContact O-N 2.65Å; P569-T573 PolarHBondContact O-OG1 3.13Å; N570-T573 PolarHBondContact O-N 3.19Å; T573-M575 VanDerWaalsContact C-N 3.31Å; T573-M575 PolarHBondContact O-N 3.21Å; T573-L576 PolarHBondContact O-N 3.06Å; T573-T577 HydrophobicContact CG2-CG2 4.43Å; T573-T577 WeakPolarHBondContact O-CG2 3.42Å; T573-T577 PolarHBondContact O-N 3.19Å; T573-T577 PolarHBondContact O-OG1 3.11Å; T573-T577 VanDerWaalsContact O-OG1 3.07Å
574	S	91.4	Very high	90.1	Very high	27 Å²	27	41.8 Å²	41.8	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-36.8	174.3	-173.5	0	0	0	0	112.1	N570 F571 T577 K578	N570-S574 VanDerWaalsContact O-CB 3.28Å; N570-S574 WeakPolarHBondContact O-CB 3.44Å; N570-S574 PolarHBondContact O-N 3.2Å; F571-S574 PolarHBondContact O-N 3.12Å; S574-T577 PolarHBondContact O-OG1 3.21Å; S574-K578 WeakPolarHBondContact O-CG 3.11Å
575	M	92.1	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-72.1	-44.2	173.5	-172.8	98.6	-57.2	0	0	112.4	F564 F571 V572 T573 K578 L652 V660	F564-M575 HydrophobicContact CE1-CB 4.34Å; F564-M575 HydrophobicContact CE1-CG 3.86Å; F564-M575 HydrophobicContact CZ-CG 3.87Å; F571-M575 HydrophobicContact CE2-CB 4.45Å; F571-M575 HydrophobicContact CE2-SD 4.23Å; F571-M575 HydrophobicContact CZ-CB 4.32Å; F571-M575 HydrophobicContact CZ-CG 4.44Å; F571-M575 HydrophobicContact CZ-SD 3.97Å; F571-M575 VanDerWaalsContact O-CB 3.27Å; F571-M575 WeakPolarHBondContact O-CB 3.4Å; F571-M575 PolarHBondContact O-N 3.28Å; V572-M575 PolarHBondContact O-N 3.12Å; T573-M575 VanDerWaalsContact C-N 3.31Å; T573-M575 PolarHBondContact O-N 3.21Å; M575-K578 PolarHBondContact O-N 3.04Å; M575-L652 HydrophobicContact CE-CD1 4.21Å; M575-L652 HydrophobicContact CE-CD2 3.48Å; M575-L652 VanDerWaalsContact CE-CD2 3.48Å; M575-L652 HydrophobicContact CE-CG 4.49Å; M575-L652 HydrophobicContact SD-CD2 3.59Å; M575-L652 VanDerWaalsContact SD-CD2 3.59Å; M575-V660 HydrophobicContact CE-CB 3.69Å; M575-V660 HydrophobicContact CE-CG1 3.91Å; M575-V660 HydrophobicContact CE-CG2 3.87Å
576	L	92.4	Very high	91.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-41.7	-174.6	-72.1	-178.1	0	0	0	112.8	I550 N551 C554 V558 V572 T573 K578 L579	I550-L576 HydrophobicContact CG2-CB 3.69Å; N551-L576 WeakPolarHBondContact OD1-CD1 2.89Å; C554-L576 HydrophobicContact CB-CD1 3.86Å; C554-L576 HydrophobicContact CB-CD2 3.53Å; C554-L576 HydrophobicContact CB-CG 4.27Å; V558-L576 HydrophobicContact CG2-CD1 3.79Å; V558-L576 HydrophobicContact CG2-CD2 4.23Å; V558-L576 HydrophobicContact CG2-CG 4.47Å; V572-L576 HydrophobicContact CG1-CD1 3.82Å; V572-L576 HydrophobicContact CG1-CG 4.05Å; V572-L576 WeakPolarHBondContact O-CB 3.21Å; V572-L576 WeakPolarHBondContact O-CG 3.12Å; V572-L576 PolarHBondContact O-N 3.2Å; T573-L576 PolarHBondContact O-N 3.06Å; L576-K578 PolarHBondContact O-N 3.45Å; L576-K578 VanDerWaalsContact O-N 3.16Å; L576-L579 HydrophobicContact CD2-CD1 3.59Å; L576-L579 WeakPolarHBondContact O-CB 3.18Å; L576-L579 PolarHBondContact O-N 2.71Å; L576-L579 VanDerWaalsContact O-N 3.08Å
577	T	91.6	Very high	92.4	Very high	42 Å²	42	47.3 Å²	47.3	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-22.3	177.1	52.2	0	0	0	0	113	E547 I550 T573 S574	E547-T577 HydrophobicContact CG-CG2 4.14Å; I550-T577 HydrophobicContact CD1-CG2 4.3Å; T573-T577 HydrophobicContact CG2-CG2 4.43Å; T573-T577 WeakPolarHBondContact O-CG2 3.42Å; T573-T577 PolarHBondContact O-N 3.19Å; T573-T577 PolarHBondContact O-OG1 3.11Å; T573-T577 VanDerWaalsContact O-OG1 3.07Å; S574-T577 PolarHBondContact O-OG1 3.21Å
578	K	92.6	Very high	92.9	Very high	57 Å²	57	48.3 Å²	48.3	25%	0.248	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.7	179.1	-59.2	-76.3	-177.9	162	0	113.7	S574 M575 L576 L652 N656 E659 V660	S574-K578 WeakPolarHBondContact O-CG 3.11Å; M575-K578 PolarHBondContact O-N 3.04Å; L576-K578 PolarHBondContact O-N 3.45Å; L576-K578 VanDerWaalsContact O-N 3.16Å; K578-L652 HydrophobicContact CB-CD1 3.82Å; K578-N656 HydrophobicContact CB-CB 4.01Å; K578-N656 HydrophobicContact CD-CB 4.15Å; K578-N656 HydrophobicContact CG-CB 4.3Å; K578-N656 PolarHBondContact O-ND2 3.35Å; K578-E659 WeakPolarHBondContact CE-OE2 3.29Å; K578-E659 IonicContact NZ-OE1 3.24Å; K578-E659 PolarHBondContact NZ-OE1 3.44Å; K578-E659 IonicContact NZ-OE2 3.17Å; K578-E659 PolarHBondContact NZ-OE2 2.78Å; K578-V660 HydrophobicContact CG-CG2 4.38Å
579	L	93.3	Very high	93.4	Very high	20 Å²	20	49.5 Å²	49.5	11%	0.105	24%	0.238	C	C	.	.			trans	-79.7	147.5	-179.8	-63.5	-177.6	0	0	0	112.8	L576 F602 Y650 L652	L576-L579 HydrophobicContact CD2-CD1 3.59Å; L576-L579 WeakPolarHBondContact O-CB 3.18Å; L576-L579 PolarHBondContact O-N 2.71Å; L576-L579 VanDerWaalsContact O-N 3.08Å; L579-F602 HydrophobicContact CD2-CD2 3.7Å; L579-F602 HydrophobicContact CD2-CE2 3.6Å; L579-Y650 HydrophobicContact CB-CD1 3.86Å; L579-Y650 HydrophobicContact CB-CG 4.24Å; L579-Y650 HydrophobicContact CD1-CD1 4.31Å; L579-Y650 HydrophobicContact CD1-CG 3.99Å; L579-L652 HydrophobicContact CD2-CB 3.94Å; L579-L652 HydrophobicContact CD2-CD1 4.29Å
580	R	93.3	Very high	93.8	Very high	128 Å²	128	45.9 Å²	45.9	48%	0.483	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.8	174.8	-74.5	175.3	166.2	-96	-6.9	111.5	E535 E582 S651	E535-R580 IonicContact OE1-CZ 2.78Å; E535-R580 IonicContact OE1-NH1 2.62Å; E535-R580 PolarHBondContact OE1-NH1 3.26Å; E535-R580 IonicContact OE1-NH2 2.67Å; E535-R580 IonicContact OE2-CZ 2.75Å; E535-R580 IonicContact OE2-NH1 3.05Å; E535-R580 PolarHBondContact OE2-NH1 3.38Å; E535-R580 IonicContact OE2-NH2 3.28Å; E535-R580 PolarHBondContact OE2-NH2 3.14Å; R580-E582 PolarHBondContact O-N 3.44Å; R580-S651 PolarHBondContact N-O 3.28Å; R580-S651 PolarHBondContact O-N 3.14Å; R580-S651 PolarHBondContact O-OG 2.88Å; R580-S651 VanDerWaalsContact O-OG 3.13Å
581	F	93.6	Very high	94.1	Very high	44 Å²	44	41.5 Å²	41.5	19%	0.193	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.9	-176.9	-178.8	-100.6	0	0	0	112.6	V583 R648 Y650	F581-V583 HydrophobicContact CD1-CG2 4.4Å; F581-V583 HydrophobicContact CE1-CG2 3.53Å; F581-V583 HydrophobicContact CZ-CG2 3.72Å; F581-R648 HydrophobicContact CE2-CB 3.95Å; F581-R648 HydrophobicContact CE2-CG 4.44Å; F581-R648 HydrophobicContact CZ-CB 4.19Å; F581-R648 HydrophobicContact CZ-CG 4.21Å; F581-Y650 HydrophobicContact CB-CD1 4.18Å; F581-Y650 HydrophobicContact CB-CE1 3.87Å; F581-Y650 HydrophobicContact CD2-CE1 4.04Å; F581-Y650 HydrophobicContact CG-CE1 4.45Å
582	E	94.9	Very high	94.3	Very high	46 Å²	46	48 Å²	48	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.5	177.6	-66.7	-173.3	-179.3	0	0	110.8	R580 F584 K599 Y601 L649 S651	R580-E582 PolarHBondContact O-N 3.44Å; E582-F584 HydrophobicContact CB-CE2 3.8Å; E582-F584 HydrophobicContact CB-CZ 4.48Å; E582-F584 WeakPolarHBondContact OE2-CZ 3.37Å; E582-K599 IonicContact OE1-NZ 3.68Å; E582-K599 PolarHBondContact OE1-NZ 2.86Å; E582-Y601 WeakPolarHBondContact OE2-CE1 3.33Å; E582-L649 PolarHBondContact N-O 2.88Å; E582-L649 PolarHBondContact O-N 3.4Å; E582-L649 VanDerWaalsContact O-O 3.09Å; E582-S651 PolarHBondContact OE1-OG 3.4Å
583	V	96.6	Very high	94.4	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.8	177.5	178	0	0	0	0	108.9	Y522 F581 C647 R648	Y522-V583 WeakPolarHBondContact CE2-O 3.34Å; F581-V583 HydrophobicContact CD1-CG2 4.4Å; F581-V583 HydrophobicContact CE1-CG2 3.53Å; F581-V583 HydrophobicContact CZ-CG2 3.72Å; V583-C647 WeakPolarHBondContact CA-O 3.45Å; V583-R648 HydrophobicContact CG2-CG 4.49Å
584	F	97.4	Very high	94.5	Very high	38 Å²	38	50 Å²	50	17%	0.167	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.6	178.3	-67.7	-92.7	0	0	0	110.9	E582 I590 Y601 A643 C647 L649	E582-F584 HydrophobicContact CB-CE2 3.8Å; E582-F584 HydrophobicContact CB-CZ 4.48Å; E582-F584 WeakPolarHBondContact OE2-CZ 3.37Å; F584-I590 HydrophobicContact CB-CG1 4.16Å; F584-I590 HydrophobicContact CD1-CG1 3.77Å; F584-I590 HydrophobicContact CD2-CG1 4.12Å; F584-I590 HydrophobicContact CE1-CB 4.47Å; F584-I590 HydrophobicContact CE1-CG1 4.18Å; F584-I590 HydrophobicContact CE1-CG2 4.26Å; F584-I590 HydrophobicContact CE2-CG2 4.18Å; F584-I590 HydrophobicContact CG-CG1 3.74Å; F584-I590 HydrophobicContact CZ-CG2 4.02Å; F584-Y601 HydrophobicContact CE2-CE1 4.24Å; F584-Y601 HydrophobicContact CZ-CE1 4.33Å; F584-A643 HydrophobicContact CB-CB 4.47Å; F584-C647 HydrophobicContact CB-CB 4.42Å; F584-C647 PolarHBondContact N-O 2.92Å; F584-C647 PolarHBondContact O-N 3.23Å; F584-L649 HydrophobicContact CD2-CD1 3.65Å; F584-L649 HydrophobicContact CD2-CG 4.21Å; F584-L649 HydrophobicContact CE2-CD1 3.83Å
585	Q	97.4	Very high	94.6	Very high	13 Å²	13	51.6 Å²	51.6	6%	0.061	24%	0.238	C	C	.	.			trans	-86.3	157.6	179.8	-50.2	-169	-75.9	0	0	111.2	R518 Y522 R587 D588 A643 Y646	R518-Q585 VanDerWaalsContact CZ-OE1 3.29Å; R518-Q585 PolarHBondContact O-NE2 2.94Å; R518-Q585 PolarHBondContact O-OE1 3.22Å; Y522-Q585 HydrophobicContact CD2-CG 4.36Å; Q585-R587 PolarHBondContact O-N 2.77Å; Q585-D588 WeakPolarHBondContact CB-OD2 3.49Å; Q585-D588 PolarHBondContact N-OD2 3.44Å; Q585-D588 WeakPolarHBondContact O-CB 3.31Å; Q585-D588 PolarHBondContact O-N 3.42Å; Q585-D588 VanDerWaalsContact O-N 3.16Å; Q585-A643 VanDerWaalsContact O-CB 3.29Å; Q585-A643 WeakPolarHBondContact O-CB 3.22Å; Q585-Y646 HydrophobicContact CB-CE1 4.08Å; Q585-Y646 HydrophobicContact CG-CE1 4Å
586	P	96.6	Very high	94.6	Very high	46 Å²	46	57.3 Å²	57.3	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	137.8	169.6	-25.5	32.1	0	0	0	112.1	D588 Y646	P586-D588 VanDerWaalsContact C-N 3.28Å; P586-D588 PolarHBondContact O-N 2.8Å; P586-Y646 HydrophobicContact CG-CD2 3.9Å; P586-Y646 HydrophobicContact CG-CE2 3.97Å; P586-Y646 HydrophobicContact CG-CG 4.31Å
587	R	94.3	Very high	94.5	Very high	205 Å²	205	57.7 Å²	57.7	77%	0.774	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-2.1	-178.3	-48.5	173.5	179.7	175.1	-0.6	116.3	Q585 A643	Q585-R587 PolarHBondContact O-N 2.77Å; R587-A643 VanDerWaalsContact CA-O 3.29Å; R587-A643 WeakPolarHBondContact CA-O 3.5Å; R587-A643 PolarHBondContact N-O 3.49Å
588	D	96.1	Very high	94.6	Very high	40 Å²	40	63.2 Å²	63.2	21%	0.214	29%	0.292	C	S	.	.			trans	-70.7	141.2	174.8	-79.7	-32.4	0	0	0	112.8	R518 Q585 P586 I590 R642 A643	R518-D588 IonicContact CZ-OD1 2.73Å; R518-D588 IonicContact NH1-OD1 3.52Å; R518-D588 PolarHBondContact NH1-OD1 3.17Å; R518-D588 IonicContact NH2-OD1 2.9Å; R518-D588 PolarHBondContact NH2-OD1 3.5Å; R518-D588 IonicContact NH2-OD2 2.64Å; R518-D588 PolarHBondContact NH2-OD2 3.31Å; Q585-D588 WeakPolarHBondContact CB-OD2 3.49Å; Q585-D588 PolarHBondContact N-OD2 3.44Å; Q585-D588 WeakPolarHBondContact O-CB 3.31Å; Q585-D588 PolarHBondContact O-N 3.42Å; Q585-D588 VanDerWaalsContact O-N 3.16Å; P586-D588 VanDerWaalsContact C-N 3.28Å; P586-D588 PolarHBondContact O-N 2.8Å; D588-I590 PolarHBondContact O-N 3.35Å; D588-R642 CarbonylContact O-C 3.54Å; D588-R642 VanDerWaalsContact O-CA 3.28Å; D588-R642 WeakPolarHBondContact O-CA 3.28Å; D588-A643 PolarHBondContact O-N 3.36Å
589	Y	96.5	Very high	94.7	Very high	95 Å²	95	63 Å²	63	37%	0.373	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	96.2	174.4	-79.6	-92.4	0	0	0	110.6	I591 L611 V641 R642	Y589-I591 VanDerWaalsContact C-N 3.28Å; Y589-L611 HydrophobicContact CE1-CD1 4.03Å; Y589-V641 CarbonylContact C-O 3.51Å; Y589-V641 WeakPolarHBondContact CA-O 3.21Å; Y589-R642 HydrophobicContact CD1-CB 4.34Å; Y589-R642 HydrophobicContact CE1-CB 4.3Å; Y589-R642 HydrophobicContact CE2-CG 4.46Å
590	I	96.9	Very high	94.7	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-37	174.7	-53.9	148.8	0	0	0	110.4	F584 D588 Y601 V608 F626 V641 A643 L649	F584-I590 HydrophobicContact CB-CG1 4.16Å; F584-I590 HydrophobicContact CD1-CG1 3.77Å; F584-I590 HydrophobicContact CD2-CG1 4.12Å; F584-I590 HydrophobicContact CE1-CB 4.47Å; F584-I590 HydrophobicContact CE1-CG1 4.18Å; F584-I590 HydrophobicContact CE1-CG2 4.26Å; F584-I590 HydrophobicContact CE2-CG2 4.18Å; F584-I590 HydrophobicContact CG-CG1 3.74Å; F584-I590 HydrophobicContact CZ-CG2 4.02Å; D588-I590 PolarHBondContact O-N 3.35Å; I590-Y601 HydrophobicContact CG2-CD1 4.37Å; I590-Y601 HydrophobicContact CG2-CD2 4.05Å; I590-Y601 HydrophobicContact CG2-CE1 4.19Å; I590-Y601 HydrophobicContact CG2-CE2 3.86Å; I590-Y601 HydrophobicContact CG2-CG 4.3Å; I590-V608 HydrophobicContact CD1-CB 4.47Å; I590-V608 HydrophobicContact CD1-CG1 3.6Å; I590-F626 HydrophobicContact CB-CE2 4.49Å; I590-F626 HydrophobicContact CD1-CZ 4.13Å; I590-F626 HydrophobicContact CG2-CE2 3.93Å; I590-F626 HydrophobicContact CG2-CZ 3.98Å; I590-V641 HydrophobicContact CD1-CG1 4.44Å; I590-V641 PolarHBondContact N-O 2.85Å; I590-A643 HydrophobicContact CD1-CB 4.09Å; I590-L649 HydrophobicContact CD1-CD1 3.99Å; I590-L649 HydrophobicContact CG1-CD1 4.38Å; I590-L649 HydrophobicContact CG2-CD1 4.07Å
591	I	96.6	Very high	94.9	Very high	7 Å²	7	57 Å²	57	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.7	175.2	-65.3	-178.8	0	0	0	109.8	Y589 Y601 F626 R637 A639 S640 V641	Y589-I591 VanDerWaalsContact C-N 3.28Å; I591-Y601 HydrophobicContact CD1-CD2 4.26Å; I591-Y601 HydrophobicContact CD1-CE2 4.46Å; I591-Y601 HydrophobicContact CG1-CE2 4.31Å; I591-F626 HydrophobicContact CD1-CD2 3.58Å; I591-F626 HydrophobicContact CD1-CE2 3.75Å; I591-F626 HydrophobicContact CG1-CD2 4.47Å; I591-F626 HydrophobicContact CG1-CE2 4.19Å; I591-R637 HydrophobicContact CG2-CB 3.88Å; I591-R637 HydrophobicContact CG2-CG 3.67Å; I591-A639 WeakPolarHBondContact CG2-O 3.26Å; I591-S640 CarbonylContact O-C 3.59Å; I591-S640 WeakPolarHBondContact O-CA 3.32Å; I591-S640 WeakPolarHBondContact O-CB 3.23Å; I591-V641 HydrophobicContact CB-CB 3.96Å; I591-V641 HydrophobicContact CB-CG2 4.02Å; I591-V641 HydrophobicContact CD1-CG2 4.17Å; I591-V641 HydrophobicContact CG1-CB 4.45Å; I591-V641 HydrophobicContact CG1-CG2 4.46Å; I591-V641 PolarHBondContact N-O 2.82Å; I591-V641 VanDerWaalsContact N-O 3.1Å; I591-V641 PolarHBondContact O-N 2.92Å
592	R	95	Very high	95	Very high	139 Å²	139	54.9 Å²	54.9	53%	0.525	26%	0.258	S	S	.	.			trans	-119.6	131	171.2	-60	-178.1	-175.4	-81.6	3.5	110.4	T595 R637	R592-T595 HydrophobicContact CB-CG2 3.87Å; R592-T595 PolarHBondContact O-N 3.31Å; R592-T595 PolarHBondContact O-OG1 3.36Å; R592-R637 WeakPolarHBondContact O-CB 3.46Å
593	E	93.3	Very high	94.9	Very high	44 Å²	44	52.7 Å²	52.7	21%	0.206	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	142.5	176.9	-170.1	-172.9	-142.2	0	0	111	T595 K613 A639 S640 K684	E593-T595 PolarHBondContact O-N 3.12Å; E593-K613 WeakPolarHBondContact OE2-CD 3.46Å; E593-K613 VanDerWaalsContact OE2-CE 3.26Å; E593-K613 WeakPolarHBondContact OE2-CE 3.49Å; E593-K613 IonicContact OE2-NZ 2.73Å; E593-K613 PolarHBondContact OE2-NZ 3.44Å; E593-A639 PolarHBondContact N-O 2.75Å; E593-S640 WeakPolarHBondContact CB-OG 3.19Å; E593-S640 PolarHBondContact N-OG 2.78Å; E593-K684 IonicContact OE1-NZ 2.68Å; E593-K684 PolarHBondContact OE1-NZ 2.7Å
594	G	91.7	Very high	94.8	Very high	33 Å²	33	54.7 Å²	54.7	34%	0.34	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-9.2	176.9	0	0	0	0	0	115.7	R636 R637	G594-R636 VanDerWaalsContact O-CD 3.29Å; G594-R636 WeakPolarHBondContact O-CD 3.33Å; G594-R636 WeakPolarHBondContact O-CG 3.32Å; G594-R636 PolarHBondContact O-NH1 2.83Å; G594-R637 PolarHBondContact N-O 3.12Å
595	T	93.9	Very high	94.6	Very high	60 Å²	60	57.5 Å²	57.5	37%	0.368	27%	0.27	S	S	.	.	S	Bend	trans	-73.4	163.5	171.1	63.1	0	0	0	0	111.9	R592 E593 R636 R637	R592-T595 HydrophobicContact CB-CG2 3.87Å; R592-T595 PolarHBondContact O-N 3.31Å; R592-T595 PolarHBondContact O-OG1 3.36Å; E593-T595 PolarHBondContact O-N 3.12Å; T595-R636 CarbonylContact O-C 3.51Å; T595-R636 VanDerWaalsContact O-CA 3.27Å; T595-R636 WeakPolarHBondContact O-CA 3.19Å; T595-R637 WeakPolarHBondContact O-CG 3.48Å; T595-R637 PolarHBondContact O-N 3.4Å; T595-R637 WeakPolarHBondContact OG1-CG 3.37Å
596	I	93.3	Very high	94.5	Very high	121 Å²	121	57 Å²	57	62%	0.621	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-85.6	126.7	171.6	-59.6	174.6	0	0	0	108	R636	I596-R636 HydrophobicContact CG1-CG 4.48Å
597	G	90	Very high	94.4	Very high	9 Å²	9	57 Å²	57	9%	0.093	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-92.6	123.9	179.7	0	0	0	0	0	112.6
598	K	93	Very high	94.5	Very high	158 Å²	158	47.2 Å²	47.2	69%	0.687	23%	0.231	S	C	*	.			trans	-104	-3.4	174.9	-62.4	-169.7	176.1	-168.9	0	114.4	V654	K598-V654 PolarHBondContact O-N 3.04Å
599	K	94.7	Very high	94.4	Very high	54 Å²	54	45.3 Å²	45.3	24%	0.235	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154	-179.1	-60.8	-160.6	-178.5	-172.5	0	112.3	E582 Y601 R637 S651 L652	E582-K599 IonicContact OE1-NZ 3.68Å; E582-K599 PolarHBondContact OE1-NZ 2.86Å; K599-Y601 HydrophobicContact CB-CE2 4.39Å; K599-R637 VanDerWaalsContact O-CZ 3.23Å; K599-R637 PolarHBondContact O-NH1 3.44Å; K599-R637 PolarHBondContact O-NH2 3.37Å; K599-S651 PolarHBondContact NZ-OG 3.27Å; K599-L652 CarbonylContact C-O 3.57Å; K599-L652 WeakPolarHBondContact CA-O 3.36Å; K599-L652 VanDerWaalsContact CB-O 3.29Å; K599-L652 WeakPolarHBondContact CB-O 3.26Å
600	M	94.6	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	169.9	158.3	66.8	176.3	-68.6	0	0	110.9	F602 Y625 E628 L631 S651 L652 F657 F671	M600-F602 HydrophobicContact CE-CD1 4.41Å; M600-F602 HydrophobicContact CE-CE1 3.57Å; M600-F602 HydrophobicContact CE-CE2 4.13Å; M600-F602 HydrophobicContact CE-CZ 3.41Å; M600-F602 VanDerWaalsContact CE-CZ 3.41Å; M600-F602 HydrophobicContact CG-CE2 4.38Å; M600-F602 HydrophobicContact CG-CZ 4.46Å; M600-F602 HydrophobicContact SD-CE2 4.45Å; M600-F602 HydrophobicContact SD-CZ 3.97Å; M600-Y625 HydrophobicContact CE-CD2 3.68Å; M600-Y625 HydrophobicContact CE-CE2 4.31Å; M600-Y625 HydrophobicContact CE-CG 4.37Å; M600-E628 HydrophobicContact CE-CB 4.14Å; M600-E628 HydrophobicContact SD-CB 4.4Å; M600-L631 HydrophobicContact CB-CD2 4Å; M600-L631 HydrophobicContact CG-CD2 3.95Å; M600-L631 HydrophobicContact SD-CD2 4.38Å; M600-S651 WeakPolarHBondContact O-CA 3.43Å; M600-L652 HydrophobicContact CG-CB 4.04Å; M600-L652 HydrophobicContact CG-CD2 4.26Å; M600-L652 PolarHBondContact N-O 3.24Å; M600-L652 PolarHBondContact O-N 2.93Å; M600-L652 HydrophobicContact SD-CD2 4.23Å; M600-F657 HydrophobicContact SD-CD2 3.6Å; M600-F657 VanDerWaalsContact SD-CD2 3.6Å; M600-F657 HydrophobicContact SD-CE2 3.41Å; M600-F657 WeakPolarHBondContact SD-CE2 3.11Å; M600-F657 HydrophobicContact SD-CG 4.45Å; M600-F657 HydrophobicContact SD-CZ 4.14Å; M600-F671 HydrophobicContact CE-CE1 4.03Å; M600-F671 HydrophobicContact CE-CZ 4.41Å
601	Y	96.5	Very high	94	Very high	21 Å²	21	42.9 Å²	42.9	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.5	-173	-65.4	-83.1	0	0	0	112.2	E582 F584 I590 I591 K599 Y625 F626 L649 Y650	E582-Y601 WeakPolarHBondContact OE2-CE1 3.33Å; F584-Y601 HydrophobicContact CE2-CE1 4.24Å; F584-Y601 HydrophobicContact CZ-CE1 4.33Å; I590-Y601 HydrophobicContact CG2-CD1 4.37Å; I590-Y601 HydrophobicContact CG2-CD2 4.05Å; I590-Y601 HydrophobicContact CG2-CE1 4.19Å; I590-Y601 HydrophobicContact CG2-CE2 3.86Å; I590-Y601 HydrophobicContact CG2-CG 4.3Å; I591-Y601 HydrophobicContact CD1-CD2 4.26Å; I591-Y601 HydrophobicContact CD1-CE2 4.46Å; I591-Y601 HydrophobicContact CG1-CE2 4.31Å; K599-Y601 HydrophobicContact CB-CE2 4.39Å; Y601-Y625 CarbonylContact O-C 3.55Å; Y601-Y625 VanDerWaalsContact O-CA 3.26Å; Y601-Y625 WeakPolarHBondContact O-CA 3.43Å; Y601-Y625 WeakPolarHBondContact O-CB 3.36Å; Y601-F626 HydrophobicContact CD2-CD2 4.24Å; Y601-F626 AromaticContact CD2-CE2 3.62Å; Y601-F626 HydrophobicContact CD2-CE2 3.62Å; Y601-F626 HydrophobicContact CD2-CZ 4.2Å; Y601-F626 AromaticContact CG-CE2 3.87Å; Y601-F626 HydrophobicContact CG-CE2 3.87Å; Y601-F626 AromaticContact CG-CZ 3.97Å; Y601-F626 HydrophobicContact CG-CZ 3.97Å; Y601-F626 PolarHBondContact N-O 2.6Å; Y601-F626 PolarHBondContact O-N 3.17Å; Y601-L649 HydrophobicContact CD1-CB 4.23Å; Y601-L649 HydrophobicContact CD1-CD1 3.93Å; Y601-L649 HydrophobicContact CG-CD1 4.32Å; Y601-Y650 CarbonylContact C-O 3.52Å; Y601-Y650 WeakPolarHBondContact CA-O 3.45Å
602	F	94.9	Very high	93.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.2	171.7	-54.6	-84.2	0	0	0	109.4	L557 M561 F564 L579 M600 Q604 Y625 L649 Y650 L652	L557-F602 HydrophobicContact CD1-CB 4.11Å; L557-F602 HydrophobicContact CD2-CB 3.74Å; L557-F602 HydrophobicContact CD2-CG 4.35Å; M561-F602 HydrophobicContact CE-CD1 4.03Å; M561-F602 HydrophobicContact CE-CE1 3.69Å; M561-F602 HydrophobicContact SD-CD1 3.56Å; M561-F602 VanDerWaalsContact SD-CD1 3.56Å; M561-F602 HydrophobicContact SD-CE1 3.88Å; F564-F602 HydrophobicContact CE2-CD1 4.28Å; F564-F602 HydrophobicContact CE2-CE1 4.23Å; F564-F602 HydrophobicContact CZ-CD1 4.36Å; F564-F602 AromaticContact CZ-CE1 3.87Å; F564-F602 HydrophobicContact CZ-CE1 3.87Å; F564-F602 HydrophobicContact CZ-CZ 4.1Å; L579-F602 HydrophobicContact CD2-CD2 3.7Å; L579-F602 HydrophobicContact CD2-CE2 3.6Å; M600-F602 HydrophobicContact CE-CD1 4.41Å; M600-F602 HydrophobicContact CE-CE1 3.57Å; M600-F602 HydrophobicContact CE-CE2 4.13Å; M600-F602 HydrophobicContact CE-CZ 3.41Å; M600-F602 VanDerWaalsContact CE-CZ 3.41Å; M600-F602 HydrophobicContact CG-CE2 4.38Å; M600-F602 HydrophobicContact CG-CZ 4.46Å; M600-F602 HydrophobicContact SD-CE2 4.45Å; M600-F602 HydrophobicContact SD-CZ 3.97Å; F602-Q604 PolarHBondContact O-N 3.29Å; F602-Y625 VanDerWaalsContact CD1-CB 3.49Å; F602-Y625 HydrophobicContact CD1-CG 4.26Å; F602-Y625 HydrophobicContact CE1-CG 4.3Å; F602-L649 CarbonylContact O-C 3.55Å; F602-L649 VanDerWaalsContact O-CA 3.3Å; F602-L649 WeakPolarHBondContact O-CA 3.41Å; F602-Y650 PolarHBondContact N-O 2.91Å; F602-Y650 PolarHBondContact O-N 2.95Å; F602-L652 HydrophobicContact CE2-CB 4Å; F602-L652 HydrophobicContact CE2-CD2 4.07Å; F602-L652 HydrophobicContact CZ-CD2 4.32Å
603	I	94.7	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	103.6	-177.6	-53.3	-179.2	0	0	0	109.5	G606 V608 L620 G623 S624 F626 L649	I603-G606 VanDerWaalsContact CG2-O 3.25Å; I603-G606 WeakPolarHBondContact CG2-O 3.21Å; I603-V608 HydrophobicContact CD1-CG1 4.42Å; I603-V608 HydrophobicContact CD1-CG2 3.66Å; I603-L620 HydrophobicContact CD1-CB 3.88Å; I603-G623 PolarHBondContact O-N 3.17Å; I603-S624 WeakPolarHBondContact CB-O 3.2Å; I603-S624 WeakPolarHBondContact CG1-O 3.33Å; I603-S624 PolarHBondContact N-O 3.2Å; I603-F626 HydrophobicContact CD1-CD1 4.09Å; I603-F626 HydrophobicContact CD1-CE1 3.99Å; I603-F626 HydrophobicContact CG1-CD1 4.1Å; I603-F626 HydrophobicContact CG1-CE1 3.81Å; I603-L649 HydrophobicContact CB-CD2 4.13Å; I603-L649 HydrophobicContact CG1-CD2 3.83Å; I603-L649 HydrophobicContact CG2-CD2 4.16Å
604	Q	93.1	Very high	92.1	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.229	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-40.1	170.2	-168.4	-160.2	44.8	0	0	110.6	F602 R648 Y650	F602-Q604 PolarHBondContact O-N 3.29Å; Q604-R648 WeakPolarHBondContact CB-O 3.42Å; Q604-R648 PolarHBondContact N-O 3.1Å; Q604-Y650 HydrophobicContact CB-CD2 4.04Å; Q604-Y650 HydrophobicContact CB-CE2 3.98Å; Q604-Y650 HydrophobicContact CG-CD2 4.46Å; Q604-Y650 HydrophobicContact CG-CE2 3.91Å; Q604-Y650 PolarHBondContact NE2-OH 3.3Å
605	H	93.9	Very high	91.3	Very high	97 Å²	97	47.5 Å²	47.5	45%	0.449	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	142.8	175.1	-171.3	52.4	0	0	0	113	D622 C647 R648	H605-D622 WeakPolarHBondContact CA-OD1 3.3Å; H605-D622 IonicContact CE1-OD2 2.7Å; H605-D622 IonicContact CG-OD2 3.11Å; H605-D622 IonicContact ND1-OD1 3.08Å; H605-D622 IonicContact ND1-OD2 3.19Å; H605-D622 PolarHBondContact ND1-OD2 3.31Å; H605-C647 CarbonylContact O-C 3.6Å; H605-C647 WeakPolarHBondContact O-CA 3.1Å; H605-R648 HydrophobicContact CB-CB 4.16Å; H605-R648 PolarHBondContact N-O 2.76Å; H605-R648 PolarHBondContact O-N 3.33Å
606	G	94.4	Very high	90.5	Very high	4 Å²	4	52.6 Å²	52.6	4%	0.041	28%	0.279	C	S	.	.	S	Bend	trans	106.9	168.4	171.1	0	0	0	0	0	113.6	I603 D622	I603-G606 VanDerWaalsContact CG2-O 3.25Å; I603-G606 WeakPolarHBondContact CG2-O 3.21Å; G606-D622 PolarHBondContact N-OD1 3.45Å
607	V	95.5	Very high	90.1	Very high	45 Å²	45	49.7 Å²	49.7	27%	0.273	26%	0.263	S	S	.	.			trans	-104.9	133.1	-177.5	-176.5	0	0	0	0	111.2	K619 L620 D644 T645 C647	V607-K619 HydrophobicContact CG1-CB 4.2Å; V607-K619 HydrophobicContact CG1-CD 4.1Å; V607-K619 HydrophobicContact CG1-CG 4.47Å; V607-L620 WeakPolarHBondContact CA-O 3.32Å; V607-D644 HydrophobicContact CB-CB 4.4Å; V607-D644 HydrophobicContact CG1-CB 4.33Å; V607-D644 PolarHBondContact O-N 3.5Å; V607-T645 HydrophobicContact CB-CG2 4.46Å; V607-T645 PolarHBondContact N-OG1 3.38Å; V607-T645 PolarHBondContact O-N 2.87Å; V607-C647 PolarHBondContact O-SG 3.24Å; V607-C647 VanDerWaalsContact O-SG 3.33Å
608	V	96.4	Very high	89.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.8	169.7	-55.4	0	0	0	0	110.8	I590 I603 K619 L620 F626 V641 R642 C647	I590-V608 HydrophobicContact CD1-CB 4.47Å; I590-V608 HydrophobicContact CD1-CG1 3.6Å; I603-V608 HydrophobicContact CD1-CG1 4.42Å; I603-V608 HydrophobicContact CD1-CG2 3.66Å; V608-K619 CarbonylContact O-C 3.56Å; V608-K619 WeakPolarHBondContact O-CA 3.49Å; V608-L620 HydrophobicContact CG2-CB 3.82Å; V608-L620 HydrophobicContact CG2-CD1 4.47Å; V608-L620 PolarHBondContact N-O 2.82Å; V608-L620 PolarHBondContact O-N 3.24Å; V608-F626 HydrophobicContact CG1-CE1 4.29Å; V608-F626 HydrophobicContact CG2-CD1 4.17Å; V608-F626 HydrophobicContact CG2-CE1 3.93Å; V608-V641 HydrophobicContact CB-CG1 3.8Å; V608-V641 HydrophobicContact CG1-CG1 4.46Å; V608-V641 HydrophobicContact CG2-CG1 3.78Å; V608-R642 CarbonylContact C-O 3.12Å; V608-R642 VanDerWaalsContact CA-O 3.3Å; V608-R642 WeakPolarHBondContact CA-O 3.01Å; V608-R642 WeakPolarHBondContact CB-O 3.46Å; V608-C647 HydrophobicContact CG1-CB 4.47Å; V608-C647 VanDerWaalsContact CG1-SG 3.54Å
609	S	94.4	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.7	175.2	-69.7	0	0	0	0	110.7	E617 V641 R642 D644	S609-E617 VanDerWaalsContact CB-OE1 3.28Å; S609-E617 WeakPolarHBondContact CB-OE1 3.49Å; S609-V641 WeakPolarHBondContact O-CA 3.43Å; S609-R642 PolarHBondContact N-O 3.36Å; S609-R642 PolarHBondContact O-N 2.79Å; S609-D644 WeakPolarHBondContact CB-OD1 3.19Å; S609-D644 PolarHBondContact OG-OD1 3.05Å; S609-D644 PolarHBondContact OG-OD2 2.86Å
610	V	93.3	Very high	89.6	Confident	15 Å²	15	45.6 Å²	45.6	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124	175.9	-173.4	0	0	0	0	109.1	E617 T618 L620 A639 V641	V610-E617 WeakPolarHBondContact O-CA 3.43Å; V610-T618 PolarHBondContact N-O 2.78Å; V610-T618 PolarHBondContact O-N 2.81Å; V610-L620 HydrophobicContact CG2-CD1 3.75Å; V610-L620 HydrophobicContact CG2-CG 4.13Å; V610-A639 HydrophobicContact CG1-CB 3.74Å; V610-V641 HydrophobicContact CG1-CG2 4.44Å; V610-V641 HydrophobicContact CG2-CG2 4.25Å
611	L	91.7	Very high	89.5	Confident	44 Å²	44	47.2 Å²	47.2	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.8	-170.1	-73.6	167.6	0	0	0	110	Y589 E617 S640 R642	Y589-L611 HydrophobicContact CE1-CD1 4.03Å; L611-E617 HydrophobicContact CD2-CB 4.1Å; L611-E617 HydrophobicContact CD2-CG 3.82Å; L611-E617 WeakPolarHBondContact CD2-OE1 3.2Å; L611-E617 HydrophobicContact CG-CG 4.45Å; L611-S640 PolarHBondContact N-O 3.43Å; L611-S640 PolarHBondContact O-N 3.09Å; L611-R642 HydrophobicContact CD1-CB 4.09Å
612	T	87.1	Confident	89.2	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.086	27%	0.272	C	S	.	.			trans	-121.8	142.4	175.7	-37.9	0	0	0	0	110.9	G614 S615 A639 I682 K684	T612-G614 PolarHBondContact O-N 2.87Å; T612-G614 VanDerWaalsContact O-N 3.14Å; T612-S615 VanDerWaalsContact CB-OG 3.32Å; T612-S615 WeakPolarHBondContact CB-OG 3.33Å; T612-S615 PolarHBondContact O-N 3.48Å; T612-A639 HydrophobicContact CG2-CB 4.44Å; T612-A639 WeakPolarHBondContact OG1-CB 3.21Å; T612-I682 HydrophobicContact CG2-CG2 3.79Å; T612-K684 HydrophobicContact CG2-CD 4.35Å; T612-K684 VanDerWaalsContact CG2-CE 3.43Å
613	K	82.4	Confident	88.9	Confident	166 Å²	166	49.5 Å²	49.5	72%	0.722	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	115.9	172.9	-66.9	174.8	179.6	127.9	0	110.1	E593	E593-K613 WeakPolarHBondContact OE2-CD 3.46Å; E593-K613 VanDerWaalsContact OE2-CE 3.26Å; E593-K613 WeakPolarHBondContact OE2-CE 3.49Å; E593-K613 IonicContact OE2-NZ 2.73Å; E593-K613 PolarHBondContact OE2-NZ 3.44Å
614	G	74.5	Confident	88.7	Confident	93 Å²	93	49.9 Å²	49.9	96%	0.959	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-5.2	177.7	0	0	0	0	0	116	T612	T612-G614 PolarHBondContact O-N 2.87Å; T612-G614 VanDerWaalsContact O-N 3.14Å
615	S	74.9	Confident	88.7	Confident	47 Å²	47	48 Å²	48	33%	0.329	27%	0.267	S	S	.	.	S	Bend	trans	-98.5	163.9	170.5	81.5	0	0	0	0	111.3	T612	T612-S615 VanDerWaalsContact CB-OG 3.32Å; T612-S615 WeakPolarHBondContact CB-OG 3.33Å; T612-S615 PolarHBondContact O-N 3.48Å
616	K	77.6	Confident	88.7	Confident	167 Å²	167	43.6 Å²	43.6	73%	0.726	25%	0.247	S	C	*	.			trans	-67.1	156.6	159.7	-68.6	-175.3	178.4	-179.4	0	110.1	T618	K616-T618 PolarHBondContact O-N 2.86Å
617	E	84	Confident	88.6	Confident	61 Å²	61	44.1 Å²	44.1	29%	0.285	25%	0.252	S	S	.	.			trans	-73.7	112.8	172.8	-179.7	176.1	-128	0	0	109.3	S609 V610 L611 R642 Q728	S609-E617 VanDerWaalsContact CB-OE1 3.28Å; S609-E617 WeakPolarHBondContact CB-OE1 3.49Å; V610-E617 WeakPolarHBondContact O-CA 3.43Å; L611-E617 HydrophobicContact CD2-CB 4.1Å; L611-E617 HydrophobicContact CD2-CG 3.82Å; L611-E617 WeakPolarHBondContact CD2-OE1 3.2Å; L611-E617 HydrophobicContact CG-CG 4.45Å; E617-R642 IonicContact OE1-CZ 3.92Å; E617-R642 IonicContact OE1-NH1 3.44Å; E617-R642 IonicContact OE1-NH2 2.74Å; E617-R642 PolarHBondContact OE1-NH2 3.27Å; E617-Q728 PolarHBondContact O-NE2 2.84Å
618	T	86.3	Confident	88.4	Confident	59 Å²	59	42.2 Å²	42.2	36%	0.362	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.7	178.5	49.4	0	0	0	0	110.4	V610 K616	V610-T618 PolarHBondContact N-O 2.78Å; V610-T618 PolarHBondContact O-N 2.81Å; K616-T618 PolarHBondContact O-N 2.86Å
619	K	90.7	Very high	88.2	Confident	56 Å²	56	42.7 Å²	42.7	24%	0.243	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	150.1	178.7	-63.7	-168.9	-176.3	-154.3	0	111.9	V607 V608 D644 A724 Q728	V607-K619 HydrophobicContact CG1-CB 4.2Å; V607-K619 HydrophobicContact CG1-CD 4.1Å; V607-K619 HydrophobicContact CG1-CG 4.47Å; V608-K619 CarbonylContact O-C 3.56Å; V608-K619 WeakPolarHBondContact O-CA 3.49Å; K619-D644 WeakPolarHBondContact CE-OD2 3.49Å; K619-D644 IonicContact NZ-OD2 2.68Å; K619-D644 PolarHBondContact NZ-OD2 3.17Å; K619-A724 WeakPolarHBondContact O-CB 3.48Å; K619-Q728 HydrophobicContact CD-CG 4.2Å
620	L	91.6	Very high	88	Confident	19 Å²	19	43 Å²	43	10%	0.099	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143	172.2	-60.6	174.9	0	0	0	108.7	I603 V607 V608 V610 F626	I603-L620 HydrophobicContact CD1-CB 3.88Å; V607-L620 WeakPolarHBondContact CA-O 3.32Å; V608-L620 HydrophobicContact CG2-CB 3.82Å; V608-L620 HydrophobicContact CG2-CD1 4.47Å; V608-L620 PolarHBondContact N-O 2.82Å; V608-L620 PolarHBondContact O-N 3.24Å; V610-L620 HydrophobicContact CG2-CD1 3.75Å; V610-L620 HydrophobicContact CG2-CG 4.13Å; L620-F626 HydrophobicContact CD1-CB 4.06Å; L620-F626 HydrophobicContact CD1-CD1 4.38Å
621	S	91.3	Very high	87.9	Confident	35 Å²	35	42.4 Å²	42.4	25%	0.245	24%	0.241	C	C	.	.			trans	-126.1	179.1	-176.2	58.1	0	0	0	0	111.8	G623 S624	S621-G623 PolarHBondContact O-N 3.47Å; S621-S624 WeakPolarHBondContact O-CB 3.35Å; S621-S624 PolarHBondContact O-N 2.88Å; S621-S624 PolarHBondContact O-OG 3.19Å
622	D	91.4	Very high	87.7	Confident	65 Å²	65	41.4 Å²	41.4	35%	0.348	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-29.7	128.3	167.9	-58.3	33.6	0	0	0	112.6	H605 G606 S624	H605-D622 WeakPolarHBondContact CA-OD1 3.3Å; H605-D622 IonicContact CE1-OD2 2.7Å; H605-D622 IonicContact CG-OD2 3.11Å; H605-D622 IonicContact ND1-OD1 3.08Å; H605-D622 IonicContact ND1-OD2 3.19Å; H605-D622 PolarHBondContact ND1-OD2 3.31Å; G606-D622 PolarHBondContact N-OD1 3.45Å; D622-S624 VanDerWaalsContact C-N 3.3Å; D622-S624 PolarHBondContact O-N 2.76Å
623	G	87.5	Confident	87.5	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-14.8	-176.9	0	0	0	0	0	115.8	S560 I603 S621	S560-G623 WeakPolarHBondContact OG-CA 3.09Å; I603-G623 PolarHBondContact O-N 3.17Å; S621-G623 PolarHBondContact O-N 3.47Å
624	S	90.6	Very high	87.4	Confident	8 Å²	8	44 Å²	44	6%	0.056	24%	0.244	C	C	.	.			trans	-79.5	160.5	172.1	-49.8	0	0	0	0	111.8	I603 S621 D622	I603-S624 WeakPolarHBondContact CB-O 3.2Å; I603-S624 WeakPolarHBondContact CG1-O 3.33Å; I603-S624 PolarHBondContact N-O 3.2Å; S621-S624 WeakPolarHBondContact O-CB 3.35Å; S621-S624 PolarHBondContact O-N 2.88Å; S621-S624 PolarHBondContact O-OG 3.19Å; D622-S624 VanDerWaalsContact C-N 3.3Å; D622-S624 PolarHBondContact O-N 2.76Å
625	Y	92.9	Very high	87.9	Confident	9 Å²	9	40.9 Å²	40.9	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.1	174.8	70.7	-92.6	0	0	0	111.5	M561 M600 Y601 F602 E628 F671 V674 R678	M561-Y625 HydrophobicContact CE-CD1 4.07Å; M561-Y625 HydrophobicContact CE-CE1 4.37Å; M561-Y625 HydrophobicContact CG-CD1 4.22Å; M561-Y625 HydrophobicContact SD-CD1 3.78Å; M561-Y625 HydrophobicContact SD-CG 4.39Å; M600-Y625 HydrophobicContact CE-CD2 3.68Å; M600-Y625 HydrophobicContact CE-CE2 4.31Å; M600-Y625 HydrophobicContact CE-CG 4.37Å; Y601-Y625 CarbonylContact O-C 3.55Å; Y601-Y625 VanDerWaalsContact O-CA 3.26Å; Y601-Y625 WeakPolarHBondContact O-CA 3.43Å; Y601-Y625 WeakPolarHBondContact O-CB 3.36Å; F602-Y625 VanDerWaalsContact CD1-CB 3.49Å; F602-Y625 HydrophobicContact CD1-CG 4.26Å; F602-Y625 HydrophobicContact CE1-CG 4.3Å; Y625-E628 HydrophobicContact CE2-CB 4.3Å; Y625-E628 HydrophobicContact CE2-CG 3.94Å; Y625-F671 HydrophobicContact CD2-CE1 4.43Å; Y625-F671 HydrophobicContact CE2-CD1 4.14Å; Y625-F671 AromaticContact CE2-CE1 3.81Å; Y625-F671 HydrophobicContact CE2-CE1 3.81Å; Y625-V674 WeakPolarHBondContact OH-CG1 3.45Å; Y625-R678 PolarHBondContact O-NH1 2.78Å; Y625-R678 PolarHBondContact O-NH2 3.2Å
626	F	94	Very high	88.6	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	155.6	-176.8	63.6	-94.4	0	0	0	114.5	I590 I591 Y601 I603 V608 L620 E628 V641 L649	I590-F626 HydrophobicContact CB-CE2 4.49Å; I590-F626 HydrophobicContact CD1-CZ 4.13Å; I590-F626 HydrophobicContact CG2-CE2 3.93Å; I590-F626 HydrophobicContact CG2-CZ 3.98Å; I591-F626 HydrophobicContact CD1-CD2 3.58Å; I591-F626 HydrophobicContact CD1-CE2 3.75Å; I591-F626 HydrophobicContact CG1-CD2 4.47Å; I591-F626 HydrophobicContact CG1-CE2 4.19Å; Y601-F626 HydrophobicContact CD2-CD2 4.24Å; Y601-F626 AromaticContact CD2-CE2 3.62Å; Y601-F626 HydrophobicContact CD2-CE2 3.62Å; Y601-F626 HydrophobicContact CD2-CZ 4.2Å; Y601-F626 AromaticContact CG-CE2 3.87Å; Y601-F626 HydrophobicContact CG-CE2 3.87Å; Y601-F626 AromaticContact CG-CZ 3.97Å; Y601-F626 HydrophobicContact CG-CZ 3.97Å; Y601-F626 PolarHBondContact N-O 2.6Å; Y601-F626 PolarHBondContact O-N 3.17Å; I603-F626 HydrophobicContact CD1-CD1 4.09Å; I603-F626 HydrophobicContact CD1-CE1 3.99Å; I603-F626 HydrophobicContact CG1-CD1 4.1Å; I603-F626 HydrophobicContact CG1-CE1 3.81Å; V608-F626 HydrophobicContact CG1-CE1 4.29Å; V608-F626 HydrophobicContact CG2-CD1 4.17Å; V608-F626 HydrophobicContact CG2-CE1 3.93Å; L620-F626 HydrophobicContact CD1-CB 4.06Å; L620-F626 HydrophobicContact CD1-CD1 4.38Å; F626-E628 VanDerWaalsContact CA-OE2 3.23Å; F626-E628 WeakPolarHBondContact CA-OE2 3.36Å; F626-V641 HydrophobicContact CD2-CB 4.27Å; F626-V641 HydrophobicContact CD2-CG1 4.09Å; F626-V641 HydrophobicContact CD2-CG2 3.91Å; F626-V641 HydrophobicContact CE1-CG1 4.38Å; F626-V641 HydrophobicContact CE2-CB 4.11Å; F626-V641 HydrophobicContact CE2-CG1 3.82Å; F626-V641 HydrophobicContact CE2-CG2 4.25Å; F626-V641 HydrophobicContact CG-CG1 4.47Å; F626-V641 HydrophobicContact CZ-CG1 3.98Å; F626-L649 HydrophobicContact CE1-CD1 4.43Å; F626-L649 HydrophobicContact CE1-CD2 4.46Å; F626-L649 HydrophobicContact CZ-CD1 3.92Å
627	G	92.8	Very high	89.4	Confident	15 Å²	15	39.5 Å²	39.5	16%	0.155	19%	0.194	C	C	.	.			trans	98.9	-3.2	174.3	0	0	0	0	0	115.2	I629 C630 R637	G627-I629 VanDerWaalsContact C-N 3.33Å; G627-I629 PolarHBondContact O-N 2.76Å; G627-C630 PolarHBondContact O-SG 3.44Å; G627-R637 PolarHBondContact O-NH1 3.42Å
628	E	91.6	Very high	89.7	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-53.5	-40.8	179.3	68.1	-67.4	161	0	0	113.8	M600 Y625 F626 C630 L631 L632 F671 A675 R678	M600-E628 HydrophobicContact CE-CB 4.14Å; M600-E628 HydrophobicContact SD-CB 4.4Å; Y625-E628 HydrophobicContact CE2-CB 4.3Å; Y625-E628 HydrophobicContact CE2-CG 3.94Å; F626-E628 VanDerWaalsContact CA-OE2 3.23Å; F626-E628 WeakPolarHBondContact CA-OE2 3.36Å; E628-C630 PolarHBondContact O-N 2.9Å; E628-L631 WeakPolarHBondContact O-CB 3.42Å; E628-L631 PolarHBondContact O-N 3.43Å; E628-L632 PolarHBondContact O-N 3.16Å; E628-F671 HydrophobicContact CB-CD1 4.49Å; E628-A675 HydrophobicContact CG-CB 4.48Å; E628-R678 WeakPolarHBondContact OE1-CD 3.37Å; E628-R678 IonicContact OE1-CZ 3.23Å; E628-R678 IonicContact OE1-NE 2.79Å; E628-R678 IonicContact OE1-NH1 2.74Å; E628-R678 PolarHBondContact OE1-NH1 3.01Å; E628-R678 IonicContact OE2-NH1 3.9Å; E628-R678 PolarHBondContact OE2-NH1 3.33Å; E628-R678 VanDerWaalsContact OE2-NH1 3.08Å
629	I	91.3	Very high	90	Very high	11 Å²	11	36 Å²	36	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-54.6	-38.2	-171.1	-57.7	162.5	0	0	0	111.9	G627 T633 T638 A675 R678 L679	G627-I629 VanDerWaalsContact C-N 3.33Å; G627-I629 PolarHBondContact O-N 2.76Å; I629-T633 HydrophobicContact CG2-CG2 4.19Å; I629-T633 WeakPolarHBondContact O-CB 3.4Å; I629-T633 VanDerWaalsContact O-CG2 3.24Å; I629-T633 WeakPolarHBondContact O-CG2 3.34Å; I629-T633 PolarHBondContact O-N 3.19Å; I629-T633 PolarHBondContact O-OG1 2.92Å; I629-T638 HydrophobicContact CG2-CG2 4.05Å; I629-A675 HydrophobicContact CG1-CB 3.94Å; I629-R678 HydrophobicContact CD1-CB 4.39Å; I629-L679 HydrophobicContact CD1-CG 4.31Å; I629-L679 HydrophobicContact CG2-CD1 3.97Å; I629-L679 HydrophobicContact CG2-CD2 4.37Å; I629-L679 HydrophobicContact CG2-CG 4.14Å
630	C	90.8	Very high	90.2	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-78.7	-23.1	-178.9	69.5	0	0	0	0	114.4	G627 E628 T633 R634 G635 R637	G627-C630 PolarHBondContact O-SG 3.44Å; E628-C630 PolarHBondContact O-N 2.9Å; C630-T633 WeakPolarHBondContact CA-OG1 3.38Å; C630-R634 CarbonylContact O-C 3.6Å; C630-R634 VanDerWaalsContact O-CA 3.26Å; C630-R634 WeakPolarHBondContact O-CA 3.21Å; C630-R634 PolarHBondContact O-N 2.9Å; C630-R634 VanDerWaalsContact O-N 3.09Å; C630-G635 PolarHBondContact O-N 2.85Å; C630-R637 PolarHBondContact SG-NH1 3.48Å
631	L	90.3	Very high	90.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-72.8	-42.5	174.1	-82	58.1	0	0	0	109.4	M600 E628 V654 F657	M600-L631 HydrophobicContact CB-CD2 4Å; M600-L631 HydrophobicContact CG-CD2 3.95Å; M600-L631 HydrophobicContact SD-CD2 4.38Å; E628-L631 WeakPolarHBondContact O-CB 3.42Å; E628-L631 PolarHBondContact O-N 3.43Å; L631-V654 HydrophobicContact CB-CG2 4.39Å; L631-V654 HydrophobicContact CD2-CB 4.37Å; L631-V654 HydrophobicContact CG-CB 3.94Å; L631-V654 HydrophobicContact CG-CG2 3.95Å; L631-F657 HydrophobicContact CB-CD1 3.76Å; L631-F657 HydrophobicContact CB-CE1 3.7Å; L631-F657 HydrophobicContact CD2-CB 3.95Å; L631-F657 HydrophobicContact CD2-CD1 3.65Å; L631-F657 HydrophobicContact CD2-CD2 4.44Å; L631-F657 HydrophobicContact CD2-CE1 4.15Å; L631-F657 HydrophobicContact CD2-CG 3.78Å; L631-F657 HydrophobicContact CG-CD1 4.24Å
632	L	87.6	Confident	90.7	Very high	24 Å²	24	35 Å²	35	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-47.2	178	-59.5	167.9	0	0	0	112.4	E628 R634 F657 F671 E672 A675	E628-L632 PolarHBondContact O-N 3.16Å; L632-R634 VanDerWaalsContact C-N 3.29Å; L632-R634 PolarHBondContact O-N 3.01Å; L632-F657 HydrophobicContact CD2-CE1 3.71Å; L632-F657 HydrophobicContact CD2-CZ 3.89Å; L632-F657 HydrophobicContact CG-CE1 4.16Å; L632-F657 HydrophobicContact CG-CZ 4.31Å; L632-F671 HydrophobicContact CD1-CB 4.08Å; L632-F671 HydrophobicContact CD2-CB 4.35Å; L632-E672 HydrophobicContact CB-CG 4.44Å; L632-E672 HydrophobicContact CD1-CG 4.08Å; L632-E672 HydrophobicContact CD2-CG 3.89Å; L632-E672 HydrophobicContact CG-CG 4.36Å; L632-A675 HydrophobicContact CD1-CB 3.7Å
633	T	84.6	Confident	91	Very high	37 Å²	37	31.9 Å²	31.9	23%	0.227	15%	0.153	C	C	.	.	H	α-helix	trans	-76.3	-12.6	179.2	55.2	0	0	0	0	114.4	I629 C630 G635 N686 L689	I629-T633 HydrophobicContact CG2-CG2 4.19Å; I629-T633 WeakPolarHBondContact O-CB 3.4Å; I629-T633 VanDerWaalsContact O-CG2 3.24Å; I629-T633 WeakPolarHBondContact O-CG2 3.34Å; I629-T633 PolarHBondContact O-N 3.19Å; I629-T633 PolarHBondContact O-OG1 2.92Å; C630-T633 WeakPolarHBondContact CA-OG1 3.38Å; T633-G635 PolarHBondContact O-N 3.38Å; T633-G635 VanDerWaalsContact O-N 3.14Å; T633-G635 PolarHBondContact OG1-N 3.16Å; T633-G635 VanDerWaalsContact OG1-N 3.17Å; T633-N686 VanDerWaalsContact CG2-ND2 3.31Å; T633-N686 WeakPolarHBondContact CG2-ND2 3.3Å; T633-L689 HydrophobicContact CG2-CD1 3.43Å; T633-L689 VanDerWaalsContact CG2-CD1 3.43Å; T633-L689 HydrophobicContact CG2-CG 3.77Å
634	R	79.9	Confident	91.4	Very high	198 Å²	198	33.9 Å²	33.9	75%	0.747	16%	0.163	S	C	*	.	S	Bend	trans	51	27.1	-162.7	-59.7	179.6	174.9	173.2	-2.7	112.9	C630 L632	C630-R634 CarbonylContact O-C 3.6Å; C630-R634 VanDerWaalsContact O-CA 3.26Å; C630-R634 WeakPolarHBondContact O-CA 3.21Å; C630-R634 PolarHBondContact O-N 2.9Å; C630-R634 VanDerWaalsContact O-N 3.09Å; L632-R634 VanDerWaalsContact C-N 3.29Å; L632-R634 PolarHBondContact O-N 3.01Å
635	G	83.8	Confident	91.7	Very high	26 Å²	26	36.2 Å²	36.2	27%	0.268	18%	0.177	S	C	.	.			trans	-102.6	-166.1	-169.9	0	0	0	0	0	115.3	C630 T633	C630-G635 PolarHBondContact O-N 2.85Å; T633-G635 PolarHBondContact O-N 3.38Å; T633-G635 VanDerWaalsContact O-N 3.14Å; T633-G635 PolarHBondContact OG1-N 3.16Å; T633-G635 VanDerWaalsContact OG1-N 3.17Å
636	R	91	Very high	91.9	Very high	165 Å²	165	39 Å²	39	62%	0.623	19%	0.188	S	C	*	.	B	Isolated β-bridge	trans	-86.9	153.6	173.7	-70.6	173.3	-179.6	-94.7	2	111.3	G594 T595 I596 T638	G594-R636 VanDerWaalsContact O-CD 3.29Å; G594-R636 WeakPolarHBondContact O-CD 3.33Å; G594-R636 WeakPolarHBondContact O-CG 3.32Å; G594-R636 PolarHBondContact O-NH1 2.83Å; T595-R636 CarbonylContact O-C 3.51Å; T595-R636 VanDerWaalsContact O-CA 3.27Å; T595-R636 WeakPolarHBondContact O-CA 3.19Å; I596-R636 HydrophobicContact CG1-CG 4.48Å; R636-T638 PolarHBondContact O-N 2.94Å
637	R	93.7	Very high	92	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.079	19%	0.187	C	C	.	.			trans	-58.1	126.4	176.3	-64.5	-71	-157.5	-168.4	6.3	110.7	I591 R592 G594 T595 K599 G627 C630	I591-R637 HydrophobicContact CG2-CB 3.88Å; I591-R637 HydrophobicContact CG2-CG 3.67Å; R592-R637 WeakPolarHBondContact O-CB 3.46Å; G594-R637 PolarHBondContact N-O 3.12Å; T595-R637 WeakPolarHBondContact O-CG 3.48Å; T595-R637 PolarHBondContact O-N 3.4Å; T595-R637 WeakPolarHBondContact OG1-CG 3.37Å; K599-R637 VanDerWaalsContact O-CZ 3.23Å; K599-R637 PolarHBondContact O-NH1 3.44Å; K599-R637 PolarHBondContact O-NH2 3.37Å; G627-R637 PolarHBondContact O-NH1 3.42Å; C630-R637 PolarHBondContact SG-NH1 3.48Å
638	T	91	Very high	92.2	Very high	38 Å²	38	42 Å²	42	23%	0.233	20%	0.195	C	C	.	.	S	Bend	trans	-81.7	-20.3	-173.4	46.8	0	0	0	0	114.4	I629 R636 L679 K684	I629-T638 HydrophobicContact CG2-CG2 4.05Å; R636-T638 PolarHBondContact O-N 2.94Å; T638-L679 HydrophobicContact CG2-CD2 4.01Å; T638-K684 PolarHBondContact O-NZ 3.43Å
639	A	92.2	Very high	92.4	Very high	8 Å²	8	41.8 Å²	41.8	7%	0.066	19%	0.194	C	C	.	.	S	Bend	trans	-144.7	169.5	176.2	0	0	0	0	0	109.7	I591 E593 V610 T612	I591-A639 WeakPolarHBondContact CG2-O 3.26Å; E593-A639 PolarHBondContact N-O 2.75Å; V610-A639 HydrophobicContact CG1-CB 3.74Å; T612-A639 HydrophobicContact CG2-CB 4.44Å; T612-A639 WeakPolarHBondContact OG1-CB 3.21Å
640	S	94.6	Very high	92.6	Very high	21 Å²	21	42.2 Å²	42.2	15%	0.147	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	153.3	163.8	-54.8	0	0	0	0	109.6	I591 E593 L611	I591-S640 CarbonylContact O-C 3.59Å; I591-S640 WeakPolarHBondContact O-CA 3.32Å; I591-S640 WeakPolarHBondContact O-CB 3.23Å; E593-S640 WeakPolarHBondContact CB-OG 3.19Å; E593-S640 PolarHBondContact N-OG 2.78Å; L611-S640 PolarHBondContact N-O 3.43Å; L611-S640 PolarHBondContact O-N 3.09Å
641	V	96.4	Very high	92.9	Very high	7 Å²	7	42 Å²	42	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.3	173.4	-174	0	0	0	0	108.5	Y589 I590 I591 V608 S609 V610 F626	Y589-V641 CarbonylContact C-O 3.51Å; Y589-V641 WeakPolarHBondContact CA-O 3.21Å; I590-V641 HydrophobicContact CD1-CG1 4.44Å; I590-V641 PolarHBondContact N-O 2.85Å; I591-V641 HydrophobicContact CB-CB 3.96Å; I591-V641 HydrophobicContact CB-CG2 4.02Å; I591-V641 HydrophobicContact CD1-CG2 4.17Å; I591-V641 HydrophobicContact CG1-CB 4.45Å; I591-V641 HydrophobicContact CG1-CG2 4.46Å; I591-V641 PolarHBondContact N-O 2.82Å; I591-V641 VanDerWaalsContact N-O 3.1Å; I591-V641 PolarHBondContact O-N 2.92Å; V608-V641 HydrophobicContact CB-CG1 3.8Å; V608-V641 HydrophobicContact CG1-CG1 4.46Å; V608-V641 HydrophobicContact CG2-CG1 3.78Å; S609-V641 WeakPolarHBondContact O-CA 3.43Å; V610-V641 HydrophobicContact CG1-CG2 4.44Å; V610-V641 HydrophobicContact CG2-CG2 4.25Å; F626-V641 HydrophobicContact CD2-CB 4.27Å; F626-V641 HydrophobicContact CD2-CG1 4.09Å; F626-V641 HydrophobicContact CD2-CG2 3.91Å; F626-V641 HydrophobicContact CE1-CG1 4.38Å; F626-V641 HydrophobicContact CE2-CB 4.11Å; F626-V641 HydrophobicContact CE2-CG1 3.82Å; F626-V641 HydrophobicContact CE2-CG2 4.25Å; F626-V641 HydrophobicContact CG-CG1 4.47Å; F626-V641 HydrophobicContact CZ-CG1 3.98Å
642	R	96.6	Very high	93.2	Very high	60 Å²	60	41.9 Å²	41.9	23%	0.226	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.3	-177.5	-173	-171	68.4	-151.5	-9.7	109.5	D588 Y589 V608 S609 L611 E617 D644	D588-R642 CarbonylContact O-C 3.54Å; D588-R642 VanDerWaalsContact O-CA 3.28Å; D588-R642 WeakPolarHBondContact O-CA 3.28Å; Y589-R642 HydrophobicContact CD1-CB 4.34Å; Y589-R642 HydrophobicContact CE1-CB 4.3Å; Y589-R642 HydrophobicContact CE2-CG 4.46Å; V608-R642 CarbonylContact C-O 3.12Å; V608-R642 VanDerWaalsContact CA-O 3.3Å; V608-R642 WeakPolarHBondContact CA-O 3.01Å; V608-R642 WeakPolarHBondContact CB-O 3.46Å; S609-R642 PolarHBondContact N-O 3.36Å; S609-R642 PolarHBondContact O-N 2.79Å; L611-R642 HydrophobicContact CD1-CB 4.09Å; E617-R642 IonicContact OE1-CZ 3.92Å; E617-R642 IonicContact OE1-NH1 3.44Å; E617-R642 IonicContact OE1-NH2 2.74Å; E617-R642 PolarHBondContact OE1-NH2 3.27Å; R642-D644 IonicContact CZ-OD1 3.44Å; R642-D644 IonicContact NE-OD1 3.31Å; R642-D644 IonicContact NH2-OD1 3.85Å; R642-D644 PolarHBondContact NH2-OD1 3.3Å
643	A	97.6	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.7	169	0	0	0	0	0	110.5	F584 Q585 R587 D588 I590	F584-A643 HydrophobicContact CB-CB 4.47Å; Q585-A643 VanDerWaalsContact O-CB 3.29Å; Q585-A643 WeakPolarHBondContact O-CB 3.22Å; R587-A643 VanDerWaalsContact CA-O 3.29Å; R587-A643 WeakPolarHBondContact CA-O 3.5Å; R587-A643 PolarHBondContact N-O 3.49Å; D588-A643 PolarHBondContact O-N 3.36Å; I590-A643 HydrophobicContact CD1-CB 4.09Å
644	D	96.1	Very high	94	Very high	45 Å²	45	41.8 Å²	41.8	24%	0.241	19%	0.194	C	C	.	.	S	Bend	trans	-93.3	-30.8	171	-87.8	24.4	0	0	0	111.3	V607 S609 K619 R642	V607-D644 HydrophobicContact CB-CB 4.4Å; V607-D644 HydrophobicContact CG1-CB 4.33Å; V607-D644 PolarHBondContact O-N 3.5Å; S609-D644 WeakPolarHBondContact CB-OD1 3.19Å; S609-D644 PolarHBondContact OG-OD1 3.05Å; S609-D644 PolarHBondContact OG-OD2 2.86Å; K619-D644 WeakPolarHBondContact CE-OD2 3.49Å; K619-D644 IonicContact NZ-OD2 2.68Å; K619-D644 PolarHBondContact NZ-OD2 3.17Å; R642-D644 IonicContact CZ-OD1 3.44Å; R642-D644 IonicContact NE-OD1 3.31Å; R642-D644 IonicContact NH2-OD1 3.85Å; R642-D644 PolarHBondContact NH2-OD1 3.3Å
645	T	96.5	Very high	94.7	Very high	57 Å²	57	37.8 Å²	37.8	35%	0.35	19%	0.188	S	C	.	.	S	Bend	trans	-125	-173.5	-179.9	57.1	0	0	0	0	110.1	V607 C647	V607-T645 HydrophobicContact CB-CG2 4.46Å; V607-T645 PolarHBondContact N-OG1 3.38Å; V607-T645 PolarHBondContact O-N 2.87Å; T645-C647 PolarHBondContact O-N 3.29Å
646	Y	97.1	Very high	95.3	Very high	68 Å²	68	38.6 Å²	38.6	27%	0.267	19%	0.186	S	C	.	.			trans	-70.5	108.4	166.1	-82.3	-78.8	0	0	0	109.7	D521 H525 Q585 P586	D521-Y646 WeakPolarHBondContact CB-OH 3.44Å; H525-Y646 HydrophobicContact CB-CD1 4.19Å; H525-Y646 HydrophobicContact CB-CE1 4.21Å; H525-Y646 AromaticContact CD2-CD1 3.66Å; H525-Y646 AromaticContact CD2-CD2 3.79Å; H525-Y646 AromaticContact CD2-CE1 3.83Å; H525-Y646 AromaticContact CD2-CE2 3.97Å; H525-Y646 AromaticContact CD2-CG 3.64Å; H525-Y646 AromaticContact CD2-CZ 3.99Å; H525-Y646 AromaticContact CE1-CE2 3.87Å; H525-Y646 AromaticContact CE1-CZ 3.75Å; H525-Y646 AromaticContact CG-CD1 3.86Å; H525-Y646 AromaticContact CG-CE1 3.73Å; H525-Y646 AromaticContact ND1-CE1 3.95Å; H525-Y646 AromaticContact ND1-CZ 3.91Å; H525-Y646 AromaticContact NE2-CD2 3.66Å; H525-Y646 AromaticContact NE2-CE2 3.54Å; H525-Y646 AromaticContact NE2-CZ 3.8Å; Q585-Y646 HydrophobicContact CB-CE1 4.08Å; Q585-Y646 HydrophobicContact CG-CE1 4Å; P586-Y646 HydrophobicContact CG-CD2 3.9Å; P586-Y646 HydrophobicContact CG-CE2 3.97Å; P586-Y646 HydrophobicContact CG-CG 4.31Å
647	C	97.2	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.1	-177.5	-61.9	0	0	0	0	110.9	V583 F584 H605 V607 V608 T645 L649	V583-C647 WeakPolarHBondContact CA-O 3.45Å; F584-C647 HydrophobicContact CB-CB 4.42Å; F584-C647 PolarHBondContact N-O 2.92Å; F584-C647 PolarHBondContact O-N 3.23Å; H605-C647 CarbonylContact O-C 3.6Å; H605-C647 WeakPolarHBondContact O-CA 3.1Å; V607-C647 PolarHBondContact O-SG 3.24Å; V607-C647 VanDerWaalsContact O-SG 3.33Å; V608-C647 HydrophobicContact CG1-CB 4.47Å; V608-C647 VanDerWaalsContact CG1-SG 3.54Å; T645-C647 PolarHBondContact O-N 3.29Å; C647-L649 HydrophobicContact CB-CD2 4.09Å; C647-L649 HydrophobicContact CB-CG 4.14Å
648	R	96.3	Very high	95.4	Very high	84 Å²	84	30.8 Å²	30.8	32%	0.317	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.6	168.3	-60.9	-178.2	-180	-170.9	-1.8	107.8	F581 V583 Q604 H605	F581-R648 HydrophobicContact CE2-CB 3.95Å; F581-R648 HydrophobicContact CE2-CG 4.44Å; F581-R648 HydrophobicContact CZ-CB 4.19Å; F581-R648 HydrophobicContact CZ-CG 4.21Å; V583-R648 HydrophobicContact CG2-CG 4.49Å; Q604-R648 WeakPolarHBondContact CB-O 3.42Å; Q604-R648 PolarHBondContact N-O 3.1Å; H605-R648 HydrophobicContact CB-CB 4.16Å; H605-R648 PolarHBondContact N-O 2.76Å; H605-R648 PolarHBondContact O-N 3.33Å
649	L	96.2	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.6	-171.6	-55.2	-176.1	0	0	0	110.3	E582 F584 I590 Y601 F602 I603 F626 C647	E582-L649 PolarHBondContact N-O 2.88Å; E582-L649 PolarHBondContact O-N 3.4Å; E582-L649 VanDerWaalsContact O-O 3.09Å; F584-L649 HydrophobicContact CD2-CD1 3.65Å; F584-L649 HydrophobicContact CD2-CG 4.21Å; F584-L649 HydrophobicContact CE2-CD1 3.83Å; I590-L649 HydrophobicContact CD1-CD1 3.99Å; I590-L649 HydrophobicContact CG1-CD1 4.38Å; I590-L649 HydrophobicContact CG2-CD1 4.07Å; Y601-L649 HydrophobicContact CD1-CB 4.23Å; Y601-L649 HydrophobicContact CD1-CD1 3.93Å; Y601-L649 HydrophobicContact CG-CD1 4.32Å; F602-L649 CarbonylContact O-C 3.55Å; F602-L649 VanDerWaalsContact O-CA 3.3Å; F602-L649 WeakPolarHBondContact O-CA 3.41Å; I603-L649 HydrophobicContact CB-CD2 4.13Å; I603-L649 HydrophobicContact CG1-CD2 3.83Å; I603-L649 HydrophobicContact CG2-CD2 4.16Å; F626-L649 HydrophobicContact CE1-CD1 4.43Å; F626-L649 HydrophobicContact CE1-CD2 4.46Å; F626-L649 HydrophobicContact CZ-CD1 3.92Å; C647-L649 HydrophobicContact CB-CD2 4.09Å; C647-L649 HydrophobicContact CB-CG 4.14Å
650	Y	96.1	Very high	95.7	Very high	19 Å²	19	33.2 Å²	33.2	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.2	160	-74.6	-75.1	0	0	0	109	L557 L579 F581 Y601 F602 Q604	L557-Y650 HydrophobicContact CD2-CD2 4.02Å; L579-Y650 HydrophobicContact CB-CD1 3.86Å; L579-Y650 HydrophobicContact CB-CG 4.24Å; L579-Y650 HydrophobicContact CD1-CD1 4.31Å; L579-Y650 HydrophobicContact CD1-CG 3.99Å; F581-Y650 HydrophobicContact CB-CD1 4.18Å; F581-Y650 HydrophobicContact CB-CE1 3.87Å; F581-Y650 HydrophobicContact CD2-CE1 4.04Å; F581-Y650 HydrophobicContact CG-CE1 4.45Å; Y601-Y650 CarbonylContact C-O 3.52Å; Y601-Y650 WeakPolarHBondContact CA-O 3.45Å; F602-Y650 PolarHBondContact N-O 2.91Å; F602-Y650 PolarHBondContact O-N 2.95Å; Q604-Y650 HydrophobicContact CB-CD2 4.04Å; Q604-Y650 HydrophobicContact CB-CE2 3.98Å; Q604-Y650 HydrophobicContact CG-CD2 4.46Å; Q604-Y650 HydrophobicContact CG-CE2 3.91Å; Q604-Y650 PolarHBondContact NE2-OH 3.3Å
651	S	96.3	Very high	95.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.8	175.2	79.1	0	0	0	0	110.5	R580 E582 K599 M600	R580-S651 PolarHBondContact N-O 3.28Å; R580-S651 PolarHBondContact O-N 3.14Å; R580-S651 PolarHBondContact O-OG 2.88Å; R580-S651 VanDerWaalsContact O-OG 3.13Å; E582-S651 PolarHBondContact OE1-OG 3.4Å; K599-S651 PolarHBondContact NZ-OG 3.27Å; M600-S651 WeakPolarHBondContact O-CA 3.43Å
652	L	95.9	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.1	175.7	178.6	67.2	0	0	0	109	M575 K578 L579 K599 M600 F602 N656 F657	M575-L652 HydrophobicContact CE-CD1 4.21Å; M575-L652 HydrophobicContact CE-CD2 3.48Å; M575-L652 VanDerWaalsContact CE-CD2 3.48Å; M575-L652 HydrophobicContact CE-CG 4.49Å; M575-L652 HydrophobicContact SD-CD2 3.59Å; M575-L652 VanDerWaalsContact SD-CD2 3.59Å; K578-L652 HydrophobicContact CB-CD1 3.82Å; L579-L652 HydrophobicContact CD2-CB 3.94Å; L579-L652 HydrophobicContact CD2-CD1 4.29Å; K599-L652 CarbonylContact C-O 3.57Å; K599-L652 WeakPolarHBondContact CA-O 3.36Å; K599-L652 VanDerWaalsContact CB-O 3.29Å; K599-L652 WeakPolarHBondContact CB-O 3.26Å; M600-L652 HydrophobicContact CG-CB 4.04Å; M600-L652 HydrophobicContact CG-CD2 4.26Å; M600-L652 PolarHBondContact N-O 3.24Å; M600-L652 PolarHBondContact O-N 2.93Å; M600-L652 HydrophobicContact SD-CD2 4.23Å; F602-L652 HydrophobicContact CE2-CB 4Å; F602-L652 HydrophobicContact CE2-CD2 4.07Å; F602-L652 HydrophobicContact CZ-CD2 4.32Å; L652-N656 HydrophobicContact CD1-CB 3.8Å; L652-F657 HydrophobicContact CD2-CB 3.92Å; L652-F657 HydrophobicContact CD2-CD2 3.76Å; L652-F657 HydrophobicContact CD2-CG 4.32Å; L652-F657 HydrophobicContact CG-CB 4.19Å
653	S	96.1	Very high	95.2	Very high	27 Å²	27	40.4 Å²	40.4	19%	0.189	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	154.3	177.8	46.8	0	0	0	0	112.4	D655 N656 F657	S653-D655 PolarHBondContact O-N 2.9Å; S653-N656 WeakPolarHBondContact OG-CB 3.46Å; S653-N656 PolarHBondContact OG-ND2 3.05Å; S653-N656 PolarHBondContact OG-OD1 3.41Å; S653-F657 WeakPolarHBondContact O-CB 3.3Å; S653-F657 PolarHBondContact O-N 3.49Å
654	V	94.5	Very high	94.9	Very high	32 Å²	32	42.5 Å²	42.5	19%	0.194	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-34.3	172.8	60.2	0	0	0	0	112.1	K598 L631 N658	K598-V654 PolarHBondContact O-N 3.04Å; L631-V654 HydrophobicContact CB-CG2 4.39Å; L631-V654 HydrophobicContact CD2-CB 4.37Å; L631-V654 HydrophobicContact CG-CB 3.94Å; L631-V654 HydrophobicContact CG-CG2 3.95Å; V654-N658 PolarHBondContact O-N 2.98Å; V654-N658 PolarHBondContact O-ND2 3.05Å
655	D	94.6	Very high	94.5	Very high	115 Å²	115	43.7 Å²	43.7	62%	0.615	22%	0.217	S	C	*	.	H	α-helix	trans	-70.8	-56.2	-176.5	-42.2	-76.7	0	0	0	110.2	S653 F657 N658 E659	S653-D655 PolarHBondContact O-N 2.9Å; D655-F657 PolarHBondContact O-N 2.76Å; D655-N658 PolarHBondContact O-N 2.83Å; D655-N658 VanDerWaalsContact O-N 3.08Å; D655-E659 PolarHBondContact O-N 2.7Å
656	N	95.6	Very high	94	Very high	43 Å²	43	43.8 Å²	43.8	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-33	174.8	-57.5	22.5	0	0	0	112.3	K578 L652 S653 V660	K578-N656 HydrophobicContact CB-CB 4.01Å; K578-N656 HydrophobicContact CD-CB 4.15Å; K578-N656 HydrophobicContact CG-CB 4.3Å; K578-N656 PolarHBondContact O-ND2 3.35Å; L652-N656 HydrophobicContact CD1-CB 3.8Å; S653-N656 WeakPolarHBondContact OG-CB 3.46Å; S653-N656 PolarHBondContact OG-ND2 3.05Å; S653-N656 PolarHBondContact OG-OD1 3.41Å; N656-V660 WeakPolarHBondContact O-CG2 3.37Å; N656-V660 PolarHBondContact O-N 3.31Å
657	F	94	Very high	93.5	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-37.6	176.2	177.9	-103.4	0	0	0	112.6	M600 L631 L632 L652 S653 D655 L661 F671	M600-F657 HydrophobicContact SD-CD2 3.6Å; M600-F657 VanDerWaalsContact SD-CD2 3.6Å; M600-F657 HydrophobicContact SD-CE2 3.41Å; M600-F657 WeakPolarHBondContact SD-CE2 3.11Å; M600-F657 HydrophobicContact SD-CG 4.45Å; M600-F657 HydrophobicContact SD-CZ 4.14Å; L631-F657 HydrophobicContact CB-CD1 3.76Å; L631-F657 HydrophobicContact CB-CE1 3.7Å; L631-F657 HydrophobicContact CD2-CB 3.95Å; L631-F657 HydrophobicContact CD2-CD1 3.65Å; L631-F657 HydrophobicContact CD2-CD2 4.44Å; L631-F657 HydrophobicContact CD2-CE1 4.15Å; L631-F657 HydrophobicContact CD2-CG 3.78Å; L631-F657 HydrophobicContact CG-CD1 4.24Å; L632-F657 HydrophobicContact CD2-CE1 3.71Å; L632-F657 HydrophobicContact CD2-CZ 3.89Å; L632-F657 HydrophobicContact CG-CE1 4.16Å; L632-F657 HydrophobicContact CG-CZ 4.31Å; L652-F657 HydrophobicContact CD2-CB 3.92Å; L652-F657 HydrophobicContact CD2-CD2 3.76Å; L652-F657 HydrophobicContact CD2-CG 4.32Å; L652-F657 HydrophobicContact CG-CB 4.19Å; S653-F657 WeakPolarHBondContact O-CB 3.3Å; S653-F657 PolarHBondContact O-N 3.49Å; D655-F657 PolarHBondContact O-N 2.76Å; F657-L661 HydrophobicContact CD1-CD1 4.04Å; F657-L661 HydrophobicContact CD2-CD1 3.96Å; F657-L661 HydrophobicContact CD2-CG 4.49Å; F657-L661 HydrophobicContact CE1-CD1 3.59Å; F657-L661 HydrophobicContact CE2-CD1 3.49Å; F657-L661 VanDerWaalsContact CE2-CD1 3.49Å; F657-L661 HydrophobicContact CE2-CG 4.38Å; F657-L661 HydrophobicContact CG-CD1 4.24Å; F657-L661 HydrophobicContact CZ-CD1 3.31Å; F657-L661 VanDerWaalsContact O-CB 3.26Å; F657-L661 WeakPolarHBondContact O-CB 3.04Å; F657-L661 VanDerWaalsContact O-CG 3.25Å; F657-L661 WeakPolarHBondContact O-CG 3.29Å; F657-L661 PolarHBondContact O-N 2.7Å; F657-F671 HydrophobicContact CE2-CD1 4.49Å; F657-F671 HydrophobicContact CE2-CD2 4Å; F657-F671 HydrophobicContact CE2-CE1 4.3Å; F657-F671 AromaticContact CE2-CE2 3.77Å; F657-F671 HydrophobicContact CE2-CE2 3.77Å; F657-F671 HydrophobicContact CE2-CG 4.35Å; F657-F671 AromaticContact CE2-CZ 3.93Å; F657-F671 HydrophobicContact CE2-CZ 3.93Å; F657-F671 HydrophobicContact CZ-CD2 4.19Å; F657-F671 HydrophobicContact CZ-CE2 4.42Å; F657-F671 HydrophobicContact CZ-CG 4.24Å
658	N	92.7	Very high	93.2	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-71.4	-41	173.3	-77.6	-83.3	0	0	0	111	V654 D655 V660 L661 E662 R668	V654-N658 PolarHBondContact O-N 2.98Å; V654-N658 PolarHBondContact O-ND2 3.05Å; D655-N658 PolarHBondContact O-N 2.83Å; D655-N658 VanDerWaalsContact O-N 3.08Å; N658-V660 PolarHBondContact O-N 3.13Å; N658-L661 CarbonylContact O-C 3.48Å; N658-L661 PolarHBondContact O-N 2.74Å; N658-E662 WeakPolarHBondContact O-CB 3.46Å; N658-E662 VanDerWaalsContact O-CG 3.27Å; N658-E662 WeakPolarHBondContact O-CG 2.92Å; N658-E662 PolarHBondContact O-N 2.76Å; N658-R668 PolarHBondContact OD1-NH2 2.74Å
659	E	94.7	Very high	92.7	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	21%	0.206	S	C	.	.	H	α-helix	trans	-50	-58	175.4	-175.5	-172.5	-175.4	0	0	111.6	K578 D655 L661 E662 E663	K578-E659 WeakPolarHBondContact CE-OE2 3.29Å; K578-E659 IonicContact NZ-OE1 3.24Å; K578-E659 PolarHBondContact NZ-OE1 3.44Å; K578-E659 IonicContact NZ-OE2 3.17Å; K578-E659 PolarHBondContact NZ-OE2 2.78Å; D655-E659 PolarHBondContact O-N 2.7Å; E659-L661 PolarHBondContact O-N 3.14Å; E659-E662 PolarHBondContact O-N 2.69Å; E659-E663 PolarHBondContact O-N 3.28Å
660	V	94.5	Very high	92.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-28.1	-179	-175.8	0	0	0	0	112.4	F571 M575 K578 N656 N658 E662 E663 Y664	F571-V660 HydrophobicContact CD2-CG1 3.63Å; F571-V660 HydrophobicContact CE2-CG1 3.7Å; M575-V660 HydrophobicContact CE-CB 3.69Å; M575-V660 HydrophobicContact CE-CG1 3.91Å; M575-V660 HydrophobicContact CE-CG2 3.87Å; K578-V660 HydrophobicContact CG-CG2 4.38Å; N656-V660 WeakPolarHBondContact O-CG2 3.37Å; N656-V660 PolarHBondContact O-N 3.31Å; N658-V660 PolarHBondContact O-N 3.13Å; V660-E662 VanDerWaalsContact C-N 3.33Å; V660-E663 PolarHBondContact O-N 3.01Å; V660-Y664 HydrophobicContact CG1-CD2 3.9Å; V660-Y664 HydrophobicContact CG1-CE2 4.4Å; V660-Y664 WeakPolarHBondContact O-CD2 3.31Å; V660-Y664 PolarHBondContact O-N 2.58Å
661	L	91.7	Very high	91.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-86.7	1.3	175.4	-65.7	-173.9	0	0	0	114.7	F571 F657 N658 E659 M667 R668 F671	F571-L661 HydrophobicContact CE2-CD2 4.08Å; F657-L661 HydrophobicContact CD1-CD1 4.04Å; F657-L661 HydrophobicContact CD2-CD1 3.96Å; F657-L661 HydrophobicContact CD2-CG 4.49Å; F657-L661 HydrophobicContact CE1-CD1 3.59Å; F657-L661 HydrophobicContact CE2-CD1 3.49Å; F657-L661 VanDerWaalsContact CE2-CD1 3.49Å; F657-L661 HydrophobicContact CE2-CG 4.38Å; F657-L661 HydrophobicContact CG-CD1 4.24Å; F657-L661 HydrophobicContact CZ-CD1 3.31Å; F657-L661 VanDerWaalsContact O-CB 3.26Å; F657-L661 WeakPolarHBondContact O-CB 3.04Å; F657-L661 VanDerWaalsContact O-CG 3.25Å; F657-L661 WeakPolarHBondContact O-CG 3.29Å; F657-L661 PolarHBondContact O-N 2.7Å; N658-L661 CarbonylContact O-C 3.48Å; N658-L661 PolarHBondContact O-N 2.74Å; E659-L661 PolarHBondContact O-N 3.14Å; L661-M667 HydrophobicContact CD2-CB 4.02Å; L661-M667 HydrophobicContact CD2-CG 4.31Å; L661-R668 HydrophobicContact CB-CB 4.14Å; L661-R668 HydrophobicContact CB-CG 4.16Å; L661-R668 HydrophobicContact CD1-CB 4.35Å; L661-R668 HydrophobicContact CD1-CG 4.2Å; L661-R668 HydrophobicContact CD2-CB 4.34Å; L661-R668 PolarHBondContact O-NH1 3Å; L661-R668 VanDerWaalsContact O-NH1 3.1Å; L661-F671 HydrophobicContact CD1-CD2 3.83Å; L661-F671 HydrophobicContact CD1-CE2 4.31Å; L661-F671 HydrophobicContact CD2-CD2 4.07Å; L661-F671 HydrophobicContact CD2-CE2 4.25Å
662	E	92.1	Very high	91.6	Very high	128 Å²	128	41.1 Å²	41.1	60%	0.598	20%	0.204	S	C	*	.	H	α-helix	trans	-92.3	-30.2	164.7	-75.5	166.5	-160	0	0	110.3	N658 E659 V660 R668	N658-E662 WeakPolarHBondContact O-CB 3.46Å; N658-E662 VanDerWaalsContact O-CG 3.27Å; N658-E662 WeakPolarHBondContact O-CG 2.92Å; N658-E662 PolarHBondContact O-N 2.76Å; E659-E662 PolarHBondContact O-N 2.69Å; V660-E662 VanDerWaalsContact C-N 3.33Å; E662-R668 VanDerWaalsContact CG-NH1 3.33Å; E662-R668 IonicContact OE1-NH1 3.37Å
663	E	93	Very high	91.1	Very high	111 Å²	111	42.7 Å²	42.7	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-72.1	-43.7	167.8	-167.8	-178	-175.1	0	0	112.6	E659 V660 P665	E659-E663 PolarHBondContact O-N 3.28Å; V660-E663 PolarHBondContact O-N 3.01Å; E663-P665 VanDerWaalsContact C-CD 3.47Å; E663-P665 WeakPolarHBondContact O-CD 2.95Å
664	Y	91.1	Very high	90.8	Very high	43 Å²	43	41.4 Å²	41.4	17%	0.169	21%	0.205	C	C	.	.			trans	-114.9	73.3	-175.1	-62.9	-81.6	0	0	0	113.5	N570 F571 V660 M666 M667 R668	N570-Y664 WeakPolarHBondContact CB-OH 3.27Å; F571-Y664 HydrophobicContact CB-CD1 3.83Å; F571-Y664 HydrophobicContact CB-CD2 3.87Å; F571-Y664 HydrophobicContact CB-CE1 3.94Å; F571-Y664 HydrophobicContact CB-CE2 3.96Å; F571-Y664 HydrophobicContact CB-CG 3.8Å; F571-Y664 AromaticContact CD2-CD2 3.68Å; F571-Y664 HydrophobicContact CD2-CD2 3.68Å; F571-Y664 HydrophobicContact CD2-CE2 4.43Å; F571-Y664 AromaticContact CD2-CG 3.79Å; F571-Y664 HydrophobicContact CD2-CG 3.79Å; F571-Y664 HydrophobicContact CG-CD2 4.27Å; F571-Y664 HydrophobicContact CG-CG 4.21Å; V660-Y664 HydrophobicContact CG1-CD2 3.9Å; V660-Y664 HydrophobicContact CG1-CE2 4.4Å; V660-Y664 WeakPolarHBondContact O-CD2 3.31Å; V660-Y664 PolarHBondContact O-N 2.58Å; Y664-M666 VanDerWaalsContact C-N 3.34Å; Y664-M666 PolarHBondContact O-N 3.06Å; Y664-M667 PolarHBondContact O-N 3.41Å; Y664-M667 VanDerWaalsContact O-N 3.13Å; Y664-R668 PolarHBondContact O-N 3.04Å
665	P	88.3	Confident	90.4	Very high	70 Å²	70	39.9 Å²	39.9	46%	0.455	20%	0.195	S	C	.	.	H	α-helix	trans	-67.6	-24.6	-172.2	26.4	-35.9	0	0	0	114.8	E663 M667 R668 R669	E663-P665 VanDerWaalsContact C-CD 3.47Å; E663-P665 WeakPolarHBondContact O-CD 2.95Å; P665-M667 VanDerWaalsContact C-N 3.33Å; P665-R668 WeakPolarHBondContact O-CB 3.28Å; P665-R668 PolarHBondContact O-N 3.14Å; P665-R669 PolarHBondContact O-N 3.37Å
666	M	85.4	Confident	90.1	Very high	60 Å²	60	36 Å²	36	30%	0.296	18%	0.175	S	C	.	.	H	α-helix	trans	-61.5	-44.2	172.4	179.2	-81.3	-76.8	0	0	110.6	Y664 R668 R669 A670 E706	Y664-M666 VanDerWaalsContact C-N 3.34Å; Y664-M666 PolarHBondContact O-N 3.06Å; M666-R668 VanDerWaalsContact C-N 3.27Å; M666-R668 PolarHBondContact O-N 2.89Å; M666-R669 WeakPolarHBondContact O-CB 3.5Å; M666-R669 PolarHBondContact O-N 2.95Å; M666-R669 VanDerWaalsContact O-N 3.08Å; M666-A670 PolarHBondContact O-N 2.87Å; M666-E706 HydrophobicContact CG-CG 4.4Å
667	M	87.8	Confident	89.7	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-68.4	-28.5	-179.7	-161.2	54.7	63.9	0	0	112.5	L563 A567 F571 L661 Y664 P665 R669 A670 F671	L563-M667 HydrophobicContact CD1-SD 3.71Å; L563-M667 HydrophobicContact CD2-CG 4.38Å; L563-M667 HydrophobicContact CD2-SD 3.96Å; L563-M667 HydrophobicContact CG-SD 3.52Å; L563-M667 VanDerWaalsContact CG-SD 3.52Å; A567-M667 HydrophobicContact CB-CE 3.6Å; F571-M667 HydrophobicContact CD1-CE 4.35Å; F571-M667 HydrophobicContact CD1-CG 4.28Å; F571-M667 HydrophobicContact CD2-CB 4.49Å; F571-M667 HydrophobicContact CD2-CG 4.41Å; F571-M667 HydrophobicContact CE1-CE 4.35Å; F571-M667 HydrophobicContact CE1-CG 3.71Å; F571-M667 HydrophobicContact CE1-SD 4.39Å; F571-M667 HydrophobicContact CE2-CB 4.25Å; F571-M667 HydrophobicContact CE2-CG 3.87Å; F571-M667 HydrophobicContact CZ-CB 4.36Å; F571-M667 HydrophobicContact CZ-CG 3.49Å; F571-M667 VanDerWaalsContact CZ-CG 3.49Å; L661-M667 HydrophobicContact CD2-CB 4.02Å; L661-M667 HydrophobicContact CD2-CG 4.31Å; Y664-M667 PolarHBondContact O-N 3.41Å; Y664-M667 VanDerWaalsContact O-N 3.13Å; P665-M667 VanDerWaalsContact C-N 3.33Å; M667-R669 VanDerWaalsContact C-N 3.32Å; M667-R669 PolarHBondContact O-N 3.47Å; M667-A670 WeakPolarHBondContact O-CB 3.43Å; M667-A670 PolarHBondContact O-N 2.94Å; M667-A670 HydrophobicContact SD-CB 3.95Å; M667-F671 HydrophobicContact CG-CD2 4.28Å; M667-F671 HydrophobicContact CG-CE2 4.24Å; M667-F671 WeakPolarHBondContact O-CD2 3.49Å; M667-F671 PolarHBondContact O-N 2.9Å
668	R	89.4	Confident	89.4	Confident	54 Å²	54	36 Å²	36	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-42.3	170.9	-163.9	178.7	-158.8	130.7	6.1	111.6	N658 L661 E662 Y664 P665 M666 F671 E672	N658-R668 PolarHBondContact OD1-NH2 2.74Å; L661-R668 HydrophobicContact CB-CB 4.14Å; L661-R668 HydrophobicContact CB-CG 4.16Å; L661-R668 HydrophobicContact CD1-CB 4.35Å; L661-R668 HydrophobicContact CD1-CG 4.2Å; L661-R668 HydrophobicContact CD2-CB 4.34Å; L661-R668 PolarHBondContact O-NH1 3Å; L661-R668 VanDerWaalsContact O-NH1 3.1Å; E662-R668 VanDerWaalsContact CG-NH1 3.33Å; E662-R668 IonicContact OE1-NH1 3.37Å; Y664-R668 PolarHBondContact O-N 3.04Å; P665-R668 WeakPolarHBondContact O-CB 3.28Å; P665-R668 PolarHBondContact O-N 3.14Å; M666-R668 VanDerWaalsContact C-N 3.27Å; M666-R668 PolarHBondContact O-N 2.89Å; R668-F671 PolarHBondContact O-N 3.47Å; R668-E672 WeakPolarHBondContact O-CG 3.45Å; R668-E672 PolarHBondContact O-N 2.68Å
669	R	86.6	Confident	89.1	Confident	50 Å²	50	35.3 Å²	35.3	19%	0.189	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-37.5	176.4	-58.2	171.9	-167.9	153.8	1.2	112.1	P665 M666 M667 E672 T673 V701 E706 I710	P665-R669 PolarHBondContact O-N 3.37Å; M666-R669 WeakPolarHBondContact O-CB 3.5Å; M666-R669 PolarHBondContact O-N 2.95Å; M666-R669 VanDerWaalsContact O-N 3.08Å; M667-R669 VanDerWaalsContact C-N 3.32Å; M667-R669 PolarHBondContact O-N 3.47Å; R669-E672 PolarHBondContact O-N 3.4Å; R669-T673 PolarHBondContact O-N 3.34Å; R669-T673 PolarHBondContact O-OG1 3.23Å; R669-V701 PolarHBondContact NH1-O 3.32Å; R669-V701 VanDerWaalsContact NH2-CG1 3.31Å; R669-E706 IonicContact NH1-OE1 3.68Å; R669-E706 PolarHBondContact NH1-OE1 2.87Å; R669-I710 HydrophobicContact CB-CD1 4.14Å
670	A	86.2	Confident	88.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-48.6	173.7	0	0	0	0	0	111.4	L563 M666 M667 E672 T673 V674 I710 I713	L563-A670 HydrophobicContact CD1-CB 4.24Å; M666-A670 PolarHBondContact O-N 2.87Å; M667-A670 WeakPolarHBondContact O-CB 3.43Å; M667-A670 PolarHBondContact O-N 2.94Å; M667-A670 HydrophobicContact SD-CB 3.95Å; A670-E672 PolarHBondContact O-N 2.66Å; A670-T673 PolarHBondContact O-N 2.92Å; A670-V674 WeakPolarHBondContact O-CG2 3.02Å; A670-V674 PolarHBondContact O-N 3.18Å; A670-I710 HydrophobicContact CB-CG1 4.09Å; A670-I713 HydrophobicContact CB-CD1 4.24Å
671	F	88.9	Confident	88	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-41.9	174.3	-87.3	-62	0	0	0	113	L563 F571 M600 Y625 E628 L632 F657 L661 M667 R668 A675	L563-F671 HydrophobicContact CD1-CD1 4.16Å; L563-F671 HydrophobicContact CD1-CD2 4.35Å; L563-F671 HydrophobicContact CD1-CE1 4.1Å; L563-F671 HydrophobicContact CD1-CE2 4.31Å; L563-F671 HydrophobicContact CD1-CG 4.28Å; L563-F671 HydrophobicContact CD1-CZ 4.19Å; L563-F671 HydrophobicContact CD2-CE1 3.99Å; L563-F671 HydrophobicContact CD2-CE2 3.73Å; L563-F671 HydrophobicContact CD2-CZ 3.42Å; L563-F671 VanDerWaalsContact CD2-CZ 3.42Å; L563-F671 HydrophobicContact CG-CZ 4.48Å; F571-F671 HydrophobicContact CZ-CE2 4.41Å; M600-F671 HydrophobicContact CE-CE1 4.03Å; M600-F671 HydrophobicContact CE-CZ 4.41Å; Y625-F671 HydrophobicContact CD2-CE1 4.43Å; Y625-F671 HydrophobicContact CE2-CD1 4.14Å; Y625-F671 AromaticContact CE2-CE1 3.81Å; Y625-F671 HydrophobicContact CE2-CE1 3.81Å; E628-F671 HydrophobicContact CB-CD1 4.49Å; L632-F671 HydrophobicContact CD1-CB 4.08Å; L632-F671 HydrophobicContact CD2-CB 4.35Å; F657-F671 HydrophobicContact CE2-CD1 4.49Å; F657-F671 HydrophobicContact CE2-CD2 4Å; F657-F671 HydrophobicContact CE2-CE1 4.3Å; F657-F671 AromaticContact CE2-CE2 3.77Å; F657-F671 HydrophobicContact CE2-CE2 3.77Å; F657-F671 HydrophobicContact CE2-CG 4.35Å; F657-F671 AromaticContact CE2-CZ 3.93Å; F657-F671 HydrophobicContact CE2-CZ 3.93Å; F657-F671 HydrophobicContact CZ-CD2 4.19Å; F657-F671 HydrophobicContact CZ-CE2 4.42Å; F657-F671 HydrophobicContact CZ-CG 4.24Å; L661-F671 HydrophobicContact CD1-CD2 3.83Å; L661-F671 HydrophobicContact CD1-CE2 4.31Å; L661-F671 HydrophobicContact CD2-CD2 4.07Å; L661-F671 HydrophobicContact CD2-CE2 4.25Å; M667-F671 HydrophobicContact CG-CD2 4.28Å; M667-F671 HydrophobicContact CG-CE2 4.24Å; M667-F671 WeakPolarHBondContact O-CD2 3.49Å; M667-F671 PolarHBondContact O-N 2.9Å; R668-F671 PolarHBondContact O-N 3.47Å; F671-A675 WeakPolarHBondContact O-CB 3.4Å; F671-A675 PolarHBondContact O-N 2.98Å
672	E	89.5	Confident	87.5	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-38.3	179.1	-72.3	177.3	-163.5	0	0	113	L632 R668 R669 A670 A675 L676 L689 K692 V693	L632-E672 HydrophobicContact CB-CG 4.44Å; L632-E672 HydrophobicContact CD1-CG 4.08Å; L632-E672 HydrophobicContact CD2-CG 3.89Å; L632-E672 HydrophobicContact CG-CG 4.36Å; R668-E672 WeakPolarHBondContact O-CG 3.45Å; R668-E672 PolarHBondContact O-N 2.68Å; R669-E672 PolarHBondContact O-N 3.4Å; A670-E672 PolarHBondContact O-N 2.66Å; E672-A675 PolarHBondContact O-N 2.99Å; E672-L676 PolarHBondContact O-N 2.67Å; E672-L689 HydrophobicContact CG-CD2 4.15Å; E672-K692 IonicContact OE1-NZ 3.62Å; E672-K692 PolarHBondContact OE1-NZ 2.67Å; E672-K692 IonicContact OE2-NZ 2.67Å; E672-K692 PolarHBondContact OE2-NZ 3.47Å; E672-V693 HydrophobicContact CB-CG2 3.88Å
673	T	87.4	Confident	86.8	Confident	32 Å²	32	38.8 Å²	38.8	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-44.1	175.3	-50.7	0	0	0	0	111.7	R669 A670 A675 L676 D677 I710 V714	R669-T673 PolarHBondContact O-N 3.34Å; R669-T673 PolarHBondContact O-OG1 3.23Å; A670-T673 PolarHBondContact O-N 2.92Å; T673-A675 PolarHBondContact O-N 3.07Å; T673-L676 PolarHBondContact O-N 3.11Å; T673-D677 PolarHBondContact O-N 2.62Å; T673-I710 HydrophobicContact CG2-CG2 3.86Å; T673-V714 HydrophobicContact CG2-CG2 3.83Å
674	V	87.8	Confident	86.2	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-41.7	174.3	176.5	0	0	0	0	111.1	Y625 A670 L676 D677 R678 I713 V714 D717	Y625-V674 WeakPolarHBondContact OH-CG1 3.45Å; A670-V674 WeakPolarHBondContact O-CG2 3.02Å; A670-V674 PolarHBondContact O-N 3.18Å; V674-L676 VanDerWaalsContact C-N 3.26Å; V674-L676 PolarHBondContact O-N 2.81Å; V674-D677 PolarHBondContact O-N 2.78Å; V674-R678 HydrophobicContact CG1-CG 4.16Å; V674-R678 WeakPolarHBondContact O-CB 3.42Å; V674-R678 WeakPolarHBondContact O-CG 3.18Å; V674-R678 PolarHBondContact O-N 2.63Å; V674-I713 HydrophobicContact CG2-CG2 3.86Å; V674-V714 HydrophobicContact CG2-CG2 3.75Å; V674-D717 HydrophobicContact CG1-CB 4.23Å
675	A	88.1	Confident	85.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-34	176.9	0	0	0	0	0	112.8	E628 I629 L632 F671 E672 T673 L679 L689	E628-A675 HydrophobicContact CG-CB 4.48Å; I629-A675 HydrophobicContact CG1-CB 3.94Å; L632-A675 HydrophobicContact CD1-CB 3.7Å; F671-A675 WeakPolarHBondContact O-CB 3.4Å; F671-A675 PolarHBondContact O-N 2.98Å; E672-A675 PolarHBondContact O-N 2.99Å; T673-A675 PolarHBondContact O-N 3.07Å; A675-L679 VanDerWaalsContact O-CB 3.31Å; A675-L679 WeakPolarHBondContact O-CB 3.44Å; A675-L679 WeakPolarHBondContact O-CD1 3.47Å; A675-L679 VanDerWaalsContact O-CG 3.29Å; A675-L679 WeakPolarHBondContact O-CG 3.47Å; A675-L679 PolarHBondContact O-N 2.82Å; A675-L679 VanDerWaalsContact O-N 3.07Å; A675-L689 HydrophobicContact CB-CD1 4.5Å
676	L	88.1	Confident	85.3	Confident	34 Å²	34	40.3 Å²	40.3	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-71.3	-44.1	172.9	-80	178.2	0	0	0	113.3	E672 T673 V674 L679 D680 L689 Q690 V693	E672-L676 PolarHBondContact O-N 2.67Å; T673-L676 PolarHBondContact O-N 3.11Å; V674-L676 VanDerWaalsContact C-N 3.26Å; V674-L676 PolarHBondContact O-N 2.81Å; L676-L679 HydrophobicContact CD2-CD1 4.35Å; L676-L679 WeakPolarHBondContact O-CB 3.21Å; L676-L679 PolarHBondContact O-N 3.48Å; L676-D680 PolarHBondContact O-N 3.49Å; L676-L689 HydrophobicContact CD2-CB 3.67Å; L676-L689 HydrophobicContact CG-CB 4.12Å; L676-Q690 HydrophobicContact CD2-CB 4.16Å; L676-V693 HydrophobicContact CD1-CB 3.58Å; L676-V693 HydrophobicContact CD1-CG1 4.09Å; L676-V693 HydrophobicContact CD1-CG2 3.56Å
677	D	86.9	Confident	85	Confident	24 Å²	24	41.9 Å²	41.9	13%	0.128	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-46.4	176.1	-167.7	66.6	0	0	0	110.5	T673 V674 L679 D680 R681 V714 R718	T673-D677 PolarHBondContact O-N 2.62Å; V674-D677 PolarHBondContact O-N 2.78Å; D677-L679 VanDerWaalsContact C-N 3.28Å; D677-L679 PolarHBondContact O-N 2.76Å; D677-D680 PolarHBondContact O-N 3.24Å; D677-D680 VanDerWaalsContact O-N 3.17Å; D677-R681 WeakPolarHBondContact O-CB 3.42Å; D677-R681 VanDerWaalsContact O-CG 3.26Å; D677-R681 WeakPolarHBondContact O-CG 3.5Å; D677-R681 PolarHBondContact O-N 2.81Å; D677-R681 WeakPolarHBondContact OD2-CD 3.21Å; D677-R681 IonicContact OD2-CZ 2.75Å; D677-R681 IonicContact OD2-NE 3.06Å; D677-R681 IonicContact OD2-NH1 3.29Å; D677-R681 PolarHBondContact OD2-NH1 3.35Å; D677-V714 HydrophobicContact CB-CG1 4.03Å; D677-R718 IonicContact OD1-CZ 3.62Å; D677-R718 IonicContact OD1-NE 3.45Å; D677-R718 PolarHBondContact OD1-NE 3.28Å; D677-R718 IonicContact OD1-NH2 2.68Å; D677-R718 PolarHBondContact OD1-NH2 3.04Å; D677-R718 WeakPolarHBondContact OD2-CG 3.32Å; D677-R718 IonicContact OD2-CZ 2.79Å; D677-R718 IonicContact OD2-NE 3.87Å; D677-R718 PolarHBondContact OD2-NE 3.19Å; D677-R718 IonicContact OD2-NH2 2.87Å
678	R	87.4	Confident	84.8	Confident	20 Å²	20	48.1 Å²	48.1	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-37.4	174.7	-73.9	-178.2	173.2	-163.9	-0.9	113.1	Y625 E628 I629 V674 I682 D717	Y625-R678 PolarHBondContact O-NH1 2.78Å; Y625-R678 PolarHBondContact O-NH2 3.2Å; E628-R678 WeakPolarHBondContact OE1-CD 3.37Å; E628-R678 IonicContact OE1-CZ 3.23Å; E628-R678 IonicContact OE1-NE 2.79Å; E628-R678 IonicContact OE1-NH1 2.74Å; E628-R678 PolarHBondContact OE1-NH1 3.01Å; E628-R678 IonicContact OE2-NH1 3.9Å; E628-R678 PolarHBondContact OE2-NH1 3.33Å; E628-R678 VanDerWaalsContact OE2-NH1 3.08Å; I629-R678 HydrophobicContact CD1-CB 4.39Å; V674-R678 HydrophobicContact CG1-CG 4.16Å; V674-R678 WeakPolarHBondContact O-CB 3.42Å; V674-R678 WeakPolarHBondContact O-CG 3.18Å; V674-R678 PolarHBondContact O-N 2.63Å; R678-I682 WeakPolarHBondContact O-CB 3.41Å; R678-I682 VanDerWaalsContact O-CD1 3.29Å; R678-I682 WeakPolarHBondContact O-CD1 3.49Å; R678-I682 WeakPolarHBondContact O-CG1 3.35Å; R678-I682 PolarHBondContact O-N 3.37Å; R678-D717 IonicContact CZ-OD1 3.34Å; R678-D717 VanDerWaalsContact CZ-OD1 3.28Å; R678-D717 IonicContact NE-OD1 3.7Å; R678-D717 PolarHBondContact NE-OD1 3.3Å; R678-D717 VanDerWaalsContact NE-OD1 3.12Å; R678-D717 IonicContact NE-OD2 2.67Å; R678-D717 PolarHBondContact NE-OD2 3.35Å; R678-D717 VanDerWaalsContact NE-OD2 3.16Å; R678-D717 IonicContact NH2-OD1 2.76Å; R678-D717 PolarHBondContact NH2-OD1 3.15Å
679	L	85.8	Confident	84.5	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-49.8	174.3	-92.1	169.4	0	0	0	111.5	I629 T638 A675 L676 D677 I682 G683 K684 N686 L689	I629-L679 HydrophobicContact CD1-CG 4.31Å; I629-L679 HydrophobicContact CG2-CD1 3.97Å; I629-L679 HydrophobicContact CG2-CD2 4.37Å; I629-L679 HydrophobicContact CG2-CG 4.14Å; T638-L679 HydrophobicContact CG2-CD2 4.01Å; A675-L679 VanDerWaalsContact O-CB 3.31Å; A675-L679 WeakPolarHBondContact O-CB 3.44Å; A675-L679 WeakPolarHBondContact O-CD1 3.47Å; A675-L679 VanDerWaalsContact O-CG 3.29Å; A675-L679 WeakPolarHBondContact O-CG 3.47Å; A675-L679 PolarHBondContact O-N 2.82Å; A675-L679 VanDerWaalsContact O-N 3.07Å; L676-L679 HydrophobicContact CD2-CD1 4.35Å; L676-L679 WeakPolarHBondContact O-CB 3.21Å; L676-L679 PolarHBondContact O-N 3.48Å; D677-L679 VanDerWaalsContact C-N 3.28Å; D677-L679 PolarHBondContact O-N 2.76Å; L679-I682 CarbonylContact O-C 3.45Å; L679-I682 PolarHBondContact O-N 2.98Å; L679-I682 VanDerWaalsContact O-N 3.08Å; L679-G683 PolarHBondContact O-N 2.75Å; L679-K684 CarbonylContact C-O 3.58Å; L679-K684 VanDerWaalsContact CB-O 3.27Å; L679-K684 WeakPolarHBondContact CB-O 3.41Å; L679-K684 HydrophobicContact CD2-CB 4.11Å; L679-K684 WeakPolarHBondContact CD2-O 3.12Å; L679-K684 PolarHBondContact O-N 3.29Å; L679-N686 HydrophobicContact CD1-CB 3.71Å; L679-L689 HydrophobicContact CD1-CD1 4.35Å
680	D	85.1	Confident	84.3	Confident	85 Å²	85	48.2 Å²	48.2	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-40.6	-179.1	-152.1	64.5	0	0	0	112.1	L676 D677 I682 G683 K685	L676-D680 PolarHBondContact O-N 3.49Å; D677-D680 PolarHBondContact O-N 3.24Å; D677-D680 VanDerWaalsContact O-N 3.17Å; D680-I682 PolarHBondContact O-N 3.47Å; D680-I682 VanDerWaalsContact O-N 3.15Å; D680-G683 WeakPolarHBondContact O-CA 3.25Å; D680-G683 PolarHBondContact O-N 3.19Å; D680-K685 WeakPolarHBondContact OD1-CE 3.25Å; D680-K685 IonicContact OD1-NZ 3.75Å; D680-K685 PolarHBondContact OD1-NZ 3.03Å
681	R	82.4	Confident	84.1	Confident	104 Å²	104	54.9 Å²	54.9	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-23.2	171.8	-66.4	-172.5	-33.8	-134.2	20.2	113.6	D677 D717	D677-R681 WeakPolarHBondContact O-CB 3.42Å; D677-R681 VanDerWaalsContact O-CG 3.26Å; D677-R681 WeakPolarHBondContact O-CG 3.5Å; D677-R681 PolarHBondContact O-N 2.81Å; D677-R681 WeakPolarHBondContact OD2-CD 3.21Å; D677-R681 IonicContact OD2-CZ 2.75Å; D677-R681 IonicContact OD2-NE 3.06Å; D677-R681 IonicContact OD2-NH1 3.29Å; D677-R681 PolarHBondContact OD2-NH1 3.35Å; R681-D717 IonicContact CZ-OD2 3.32Å; R681-D717 VanDerWaalsContact CZ-OD2 3.25Å; R681-D717 IonicContact NH1-OD2 3.35Å; R681-D717 PolarHBondContact NH1-OD2 2.94Å; R681-D717 IonicContact NH2-OD2 3.26Å; R681-D717 PolarHBondContact NH2-OD2 3.35Å
682	I	79.9	Confident	83.8	Confident	41 Å²	41	58.5 Å²	58.5	21%	0.21	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.5	176	-67.9	168.8	0	0	0	111.6	T612 R678 L679 D680 K684	T612-I682 HydrophobicContact CG2-CG2 3.79Å; R678-I682 WeakPolarHBondContact O-CB 3.41Å; R678-I682 VanDerWaalsContact O-CD1 3.29Å; R678-I682 WeakPolarHBondContact O-CD1 3.49Å; R678-I682 WeakPolarHBondContact O-CG1 3.35Å; R678-I682 PolarHBondContact O-N 3.37Å; L679-I682 CarbonylContact O-C 3.45Å; L679-I682 PolarHBondContact O-N 2.98Å; L679-I682 VanDerWaalsContact O-N 3.08Å; D680-I682 PolarHBondContact O-N 3.47Å; D680-I682 VanDerWaalsContact O-N 3.15Å; I682-K684 VanDerWaalsContact C-N 3.31Å; I682-K684 HydrophobicContact CG2-CD 4.06Å; I682-K684 HydrophobicContact CG2-CG 4.16Å
683	G	77.6	Confident	83.3	Confident	67 Å²	67	59.4 Å²	59.4	69%	0.691	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	19.2	-177.3	0	0	0	0	0	113.9	L679 D680	L679-G683 PolarHBondContact O-N 2.75Å; D680-G683 WeakPolarHBondContact O-CA 3.25Å; D680-G683 PolarHBondContact O-N 3.19Å
684	K	79.8	Confident	82.9	Confident	63 Å²	63	63.4 Å²	63.4	27%	0.274	33%	0.326	S	S	.	.			trans	-119.4	125.3	-178.8	-68.3	-176.6	179.3	-175	0	109.5	E593 T612 T638 L679 I682	E593-K684 IonicContact OE1-NZ 2.68Å; E593-K684 PolarHBondContact OE1-NZ 2.7Å; T612-K684 HydrophobicContact CG2-CD 4.35Å; T612-K684 VanDerWaalsContact CG2-CE 3.43Å; T638-K684 PolarHBondContact O-NZ 3.43Å; L679-K684 CarbonylContact C-O 3.58Å; L679-K684 VanDerWaalsContact CB-O 3.27Å; L679-K684 WeakPolarHBondContact CB-O 3.41Å; L679-K684 HydrophobicContact CD2-CB 4.11Å; L679-K684 WeakPolarHBondContact CD2-O 3.12Å; L679-K684 PolarHBondContact O-N 3.29Å; I682-K684 VanDerWaalsContact C-N 3.31Å; I682-K684 HydrophobicContact CG2-CD 4.06Å; I682-K684 HydrophobicContact CG2-CG 4.16Å
685	K	78.4	Confident	82.5	Confident	149 Å²	149	68 Å²	68	65%	0.648	35%	0.347	S	S	*	.			trans	-105.1	143.3	179.1	-58.4	-173	-168	-102.8	0	111.4	D680	D680-K685 WeakPolarHBondContact OD1-CE 3.25Å; D680-K685 IonicContact OD1-NZ 3.75Å; D680-K685 PolarHBondContact OD1-NZ 3.03Å
686	N	82.1	Confident	82	Confident	44 Å²	44	69.5 Å²	69.5	24%	0.235	36%	0.355	C	S	.	.			trans	-120.1	103.4	172.7	-174.5	-52.7	0	0	0	108.7	T633 L679 I688 L689 Q690	T633-N686 VanDerWaalsContact CG2-ND2 3.31Å; T633-N686 WeakPolarHBondContact CG2-ND2 3.3Å; L679-N686 HydrophobicContact CD1-CB 3.71Å; N686-I688 PolarHBondContact O-N 2.83Å; N686-I688 WeakPolarHBondContact OD1-CB 3.08Å; N686-I688 PolarHBondContact OD1-N 2.82Å; N686-I688 VanDerWaalsContact OD1-N 3.08Å; N686-L689 PolarHBondContact O-N 3.36Å; N686-L689 PolarHBondContact OD1-N 2.94Å; N686-L689 VanDerWaalsContact OD1-N 3.09Å; N686-Q690 VanDerWaalsContact O-CB 3.3Å; N686-Q690 WeakPolarHBondContact O-CB 3.34Å; N686-Q690 PolarHBondContact O-N 2.91Å
687	S	80.6	Confident	81.3	Confident	93 Å²	93	72.2 Å²	72.2	65%	0.65	37%	0.37	S	S	*	.	H	α-helix	trans	-62.6	-27.7	-176.2	49.2	0	0	0	0	113.7	H691	S687-H691 WeakPolarHBondContact O-CB 3.44Å; S687-H691 PolarHBondContact O-N 3.48Å
688	I	82.8	Confident	80.6	Confident	136 Å²	136	75.2 Å²	75.2	70%	0.697	39%	0.392	S	S	*	.	H	α-helix	trans	-71.7	-50.4	-179.7	-55.8	175.1	0	0	0	110.1	N686 K692	N686-I688 PolarHBondContact O-N 2.83Å; N686-I688 WeakPolarHBondContact OD1-CB 3.08Å; N686-I688 PolarHBondContact OD1-N 2.82Å; N686-I688 VanDerWaalsContact OD1-N 3.08Å; I688-K692 WeakPolarHBondContact O-CB 3.23Å; I688-K692 PolarHBondContact O-N 3.33Å
689	L	82.9	Confident	79.9	Confident	8 Å²	8	76.7 Å²	76.7	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-41.9	173.1	-81.2	-177.3	0	0	0	111.6	T633 E672 A675 L676 L679 N686 H691 K692 V693	T633-L689 HydrophobicContact CG2-CD1 3.43Å; T633-L689 VanDerWaalsContact CG2-CD1 3.43Å; T633-L689 HydrophobicContact CG2-CG 3.77Å; E672-L689 HydrophobicContact CG-CD2 4.15Å; A675-L689 HydrophobicContact CB-CD1 4.5Å; L676-L689 HydrophobicContact CD2-CB 3.67Å; L676-L689 HydrophobicContact CG-CB 4.12Å; L679-L689 HydrophobicContact CD1-CD1 4.35Å; N686-L689 PolarHBondContact O-N 3.36Å; N686-L689 PolarHBondContact OD1-N 2.94Å; N686-L689 VanDerWaalsContact OD1-N 3.09Å; L689-H691 PolarHBondContact O-N 3.21Å; L689-K692 PolarHBondContact O-N 3.2Å; L689-K692 VanDerWaalsContact O-N 3.15Å; L689-V693 PolarHBondContact O-N 2.84Å
690	Q	82.9	Confident	79	Confident	99 Å²	99	79.4 Å²	79.4	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-63	-44	-177.8	-171.1	179.2	-1	0	0	111	L676 N686 Q694	L676-Q690 HydrophobicContact CD2-CB 4.16Å; N686-Q690 VanDerWaalsContact O-CB 3.3Å; N686-Q690 WeakPolarHBondContact O-CB 3.34Å; N686-Q690 PolarHBondContact O-N 2.91Å; Q690-Q694 WeakPolarHBondContact O-CB 3.39Å; Q690-Q694 PolarHBondContact O-N 3.11Å
691	H	81.6	Confident	78.2	Confident	139 Å²	139	79.2 Å²	79.2	64%	0.644	44%	0.437	S	S	*	.	H	α-helix	trans	-64.4	-40	173.3	-173	-67.8	0	0	0	111.8	S687 L689 H695	S687-H691 WeakPolarHBondContact O-CB 3.44Å; S687-H691 PolarHBondContact O-N 3.48Å; L689-H691 PolarHBondContact O-N 3.21Å; H691-H695 WeakPolarHBondContact O-CB 3.47Å; H691-H695 PolarHBondContact O-N 3.42Å
692	K	82.1	Confident	77.4	Confident	77 Å²	77	75.4 Å²	75.4	34%	0.335	43%	0.425	S	S	.	.	H	α-helix	trans	-63.1	-52.9	178.3	-176.9	176	-178.5	-72.7	0	112.1	E672 I688 L689 Q694 H695 D696	E672-K692 IonicContact OE1-NZ 3.62Å; E672-K692 PolarHBondContact OE1-NZ 2.67Å; E672-K692 IonicContact OE2-NZ 2.67Å; E672-K692 PolarHBondContact OE2-NZ 3.47Å; I688-K692 WeakPolarHBondContact O-CB 3.23Å; I688-K692 PolarHBondContact O-N 3.33Å; L689-K692 PolarHBondContact O-N 3.2Å; L689-K692 VanDerWaalsContact O-N 3.15Å; K692-Q694 VanDerWaalsContact C-N 3.33Å; K692-Q694 PolarHBondContact O-N 2.93Å; K692-H695 WeakPolarHBondContact O-CB 3.41Å; K692-H695 PolarHBondContact O-N 3.39Å; K692-D696 IonicContact NZ-OD2 3.23Å; K692-D696 PolarHBondContact NZ-OD2 2.94Å; K692-D696 WeakPolarHBondContact O-CB 3.39Å; K692-D696 VanDerWaalsContact O-CG 3.23Å; K692-D696 PolarHBondContact O-N 2.71Å
693	V	80.4	Confident	77	Confident	25 Å²	25	78.8 Å²	78.8	15%	0.152	44%	0.443	C	S	.	.	H	α-helix	trans	-67.1	-36.6	-179.4	177.2	0	0	0	0	111	E672 L676 L689 D696 L697	E672-V693 HydrophobicContact CB-CG2 3.88Å; L676-V693 HydrophobicContact CD1-CB 3.58Å; L676-V693 HydrophobicContact CD1-CG1 4.09Å; L676-V693 HydrophobicContact CD1-CG2 3.56Å; L689-V693 PolarHBondContact O-N 2.84Å; V693-D696 PolarHBondContact O-N 2.72Å; V693-L697 VanDerWaalsContact O-CB 3.26Å; V693-L697 WeakPolarHBondContact O-CB 3.44Å; V693-L697 PolarHBondContact O-N 2.85Å
694	Q	78.5	Confident	77	Confident	117 Å²	117	85.6 Å²	85.6	55%	0.547	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-39.3	173.9	-174.2	60.7	77.3	0	0	112.4	Q690 K692 S698	Q690-Q694 WeakPolarHBondContact O-CB 3.39Å; Q690-Q694 PolarHBondContact O-N 3.11Å; K692-Q694 VanDerWaalsContact C-N 3.33Å; K692-Q694 PolarHBondContact O-N 2.93Å; Q694-S698 VanDerWaalsContact O-CB 3.28Å; Q694-S698 WeakPolarHBondContact O-CB 3.48Å; Q694-S698 PolarHBondContact O-N 3.4Å; Q694-S698 PolarHBondContact O-OG 2.89Å
695	H	79.8	Confident	76.9	Confident	97 Å²	97	89.5 Å²	89.5	45%	0.449	47%	0.469	S	S	.	.	H	α-helix	trans	-62.8	-54.2	173.1	170.4	-86.5	0	0	0	110.7	H691 K692 L697 S698 S699	H691-H695 WeakPolarHBondContact O-CB 3.47Å; H691-H695 PolarHBondContact O-N 3.42Å; K692-H695 WeakPolarHBondContact O-CB 3.41Å; K692-H695 PolarHBondContact O-N 3.39Å; H695-L697 VanDerWaalsContact C-N 3.27Å; H695-L697 PolarHBondContact O-N 2.97Å; H695-S698 WeakPolarHBondContact CA-OG 3.4Å; H695-S698 CarbonylContact O-C 3.46Å; H695-S698 PolarHBondContact O-N 3.41Å; H695-S698 PolarHBondContact O-OG 2.98Å; H695-S699 WeakPolarHBondContact O-CB 3.34Å; H695-S699 PolarHBondContact O-N 3.28Å
696	D	77.1	Confident	76.9	Confident	31 Å²	31	84.2 Å²	84.2	17%	0.166	45%	0.446	C	S	.	.	H	α-helix	trans	-59	-39.8	-177.4	-66.4	-3.9	0	0	0	110.6	K692 V693 S699	K692-D696 IonicContact NZ-OD2 3.23Å; K692-D696 PolarHBondContact NZ-OD2 2.94Å; K692-D696 WeakPolarHBondContact O-CB 3.39Å; K692-D696 VanDerWaalsContact O-CG 3.23Å; K692-D696 PolarHBondContact O-N 2.71Å; V693-D696 PolarHBondContact O-N 2.72Å; D696-S699 PolarHBondContact O-N 2.86Å; D696-S699 PolarHBondContact O-OG 3.32Å
697	L	74.4	Confident	76.8	Confident	91 Å²	91	84.2 Å²	84.2	48%	0.476	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-42.4	172.5	-164.2	75.2	0	0	0	112.9	V693 H695 S699 L702 N707	V693-L697 VanDerWaalsContact O-CB 3.26Å; V693-L697 WeakPolarHBondContact O-CB 3.44Å; V693-L697 PolarHBondContact O-N 2.85Å; H695-L697 VanDerWaalsContact C-N 3.27Å; H695-L697 PolarHBondContact O-N 2.97Å; L697-S699 VanDerWaalsContact C-N 3.31Å; L697-S699 PolarHBondContact O-N 3.39Å; L697-L702 HydrophobicContact CD1-CD1 4.29Å; L697-N707 WeakPolarHBondContact CD1-OD1 3.3Å
698	S	70.6	Confident	76.9	Confident	87 Å²	87	85.8 Å²	85.8	61%	0.608	44%	0.443	S	S	*	.	H	α-helix	trans	-72.2	-21.9	178.7	70.2	0	0	0	0	114.2	Q694 H695 G700	Q694-S698 VanDerWaalsContact O-CB 3.28Å; Q694-S698 WeakPolarHBondContact O-CB 3.48Å; Q694-S698 PolarHBondContact O-N 3.4Å; Q694-S698 PolarHBondContact O-OG 2.89Å; H695-S698 WeakPolarHBondContact CA-OG 3.4Å; H695-S698 CarbonylContact O-C 3.46Å; H695-S698 PolarHBondContact O-N 3.41Å; H695-S698 PolarHBondContact O-OG 2.98Å; S698-G700 PolarHBondContact O-N 3.26Å
699	S	73.6	Confident	76.8	Confident	52 Å²	52	81.5 Å²	81.5	36%	0.364	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.2	-175.5	71.9	0	0	0	0	114.3	H695 D696 L697 V701	H695-S699 WeakPolarHBondContact O-CB 3.34Å; H695-S699 PolarHBondContact O-N 3.28Å; D696-S699 PolarHBondContact O-N 2.86Å; D696-S699 PolarHBondContact O-OG 3.32Å; L697-S699 VanDerWaalsContact C-N 3.31Å; L697-S699 PolarHBondContact O-N 3.39Å; S699-V701 PolarHBondContact O-N 3.35Å; S699-V701 WeakPolarHBondContact OG-CB 3.46Å; S699-V701 VanDerWaalsContact OG-CG2 3.23Å; S699-V701 WeakPolarHBondContact OG-CG2 3.29Å
700	G	66.1	Low	76.8	Confident	63 Å²	63	81.4 Å²	81.4	65%	0.649	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	6.3	-176.7	0	0	0	0	0	114.8	S698 L702	S698-G700 PolarHBondContact O-N 3.26Å; G700-L702 PolarHBondContact O-N 3.04Å
701	V	67.9	Low	76.8	Confident	81 Å²	81	82.2 Å²	82.2	49%	0.491	43%	0.425	S	S	.	.			trans	-76.2	-4.6	-176.1	171.4	0	0	0	0	113.3	R669 S699	R669-V701 PolarHBondContact NH1-O 3.32Å; R669-V701 VanDerWaalsContact NH2-CG1 3.31Å; S699-V701 PolarHBondContact O-N 3.35Å; S699-V701 WeakPolarHBondContact OG-CB 3.46Å; S699-V701 VanDerWaalsContact OG-CG2 3.23Å; S699-V701 WeakPolarHBondContact OG-CG2 3.29Å
702	L	65.7	Low	76.9	Confident	24 Å²	24	80.7 Å²	80.7	13%	0.126	42%	0.417	C	S	.	.	S	Bend	trans	-110.2	122.1	175.8	-82.4	160.5	0	0	0	110.6	L697 G700 E706 N707 I710	L697-L702 HydrophobicContact CD1-CD1 4.29Å; G700-L702 PolarHBondContact O-N 3.04Å; L702-E706 HydrophobicContact CD2-CB 3.83Å; L702-N707 PolarHBondContact O-ND2 3.17Å; L702-I710 HydrophobicContact CD2-CD1 3.92Å
703	N	73.2	Confident	77	Confident	111 Å²	111	77.3 Å²	77.3	59%	0.594	40%	0.403	S	S	*	.			trans	-65.6	153.8	171.5	-66.8	-82.1	0	0	0	110.8	Q705 E706 N707	N703-Q705 PolarHBondContact O-N 2.93Å; N703-E706 HydrophobicContact CB-CG 4.22Å; N703-E706 WeakPolarHBondContact CB-OE2 3.4Å; N703-E706 PolarHBondContact N-OE2 3.37Å; N703-E706 PolarHBondContact ND2-OE2 2.98Å; N703-E706 PolarHBondContact O-N 3.25Å; N703-N707 PolarHBondContact O-N 2.94Å; N703-N707 PolarHBondContact O-ND2 3.47Å
704	Y	76.2	Confident	77.1	Confident	210 Å²	210	76.3 Å²	76.3	82%	0.824	40%	0.397	S	S	*	.	H	α-helix	trans	-52.6	-43	174.9	-79.5	-85.1	0	0	0	112.3	N707 E708	Y704-N707 WeakPolarHBondContact O-CB 3.49Å; Y704-N707 PolarHBondContact O-N 3.38Å; Y704-E708 PolarHBondContact O-N 3.02Å
705	Q	77.1	Confident	77.4	Confident	146 Å²	146	74.7 Å²	74.7	68%	0.682	39%	0.389	S	S	*	.	H	α-helix	trans	-65.8	-36.7	177.9	-171.1	177	-0.3	0	0	113.3	N703 E708 I709	N703-Q705 PolarHBondContact O-N 2.93Å; Q705-E708 PolarHBondContact O-N 2.85Å; Q705-I709 HydrophobicContact CG-CD1 4.3Å; Q705-I709 WeakPolarHBondContact O-CD1 3.3Å; Q705-I709 VanDerWaalsContact O-CG1 3.29Å; Q705-I709 WeakPolarHBondContact O-CG1 3.38Å; Q705-I709 PolarHBondContact O-N 2.73Å; Q705-I709 VanDerWaalsContact O-N 3.08Å
706	E	78.4	Confident	77.4	Confident	38 Å²	38	74 Å²	74	18%	0.178	39%	0.386	C	S	.	.	H	α-helix	trans	-66.5	-40.9	173.7	-69.1	174.6	97.5	0	0	110.9	M666 R669 L702 N703 I709 I710	M666-E706 HydrophobicContact CG-CG 4.4Å; R669-E706 IonicContact NH1-OE1 3.68Å; R669-E706 PolarHBondContact NH1-OE1 2.87Å; L702-E706 HydrophobicContact CD2-CB 3.83Å; N703-E706 HydrophobicContact CB-CG 4.22Å; N703-E706 WeakPolarHBondContact CB-OE2 3.4Å; N703-E706 PolarHBondContact N-OE2 3.37Å; N703-E706 PolarHBondContact ND2-OE2 2.98Å; N703-E706 PolarHBondContact O-N 3.25Å; E706-I709 PolarHBondContact O-N 2.86Å; E706-I710 WeakPolarHBondContact O-CB 2.99Å; E706-I710 VanDerWaalsContact O-CG1 3.28Å; E706-I710 WeakPolarHBondContact O-CG1 3.26Å; E706-I710 PolarHBondContact O-N 2.83Å
707	N	81.1	Confident	77.8	Confident	43 Å²	43	73.4 Å²	73.4	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-42	175	-78	-48.7	0	0	0	111.9	L697 L702 N703 Y704 I710 Q711	L697-N707 WeakPolarHBondContact CD1-OD1 3.3Å; L702-N707 PolarHBondContact O-ND2 3.17Å; N703-N707 PolarHBondContact O-N 2.94Å; N703-N707 PolarHBondContact O-ND2 3.47Å; Y704-N707 WeakPolarHBondContact O-CB 3.49Å; Y704-N707 PolarHBondContact O-N 3.38Å; N707-I710 PolarHBondContact O-N 3.24Å; N707-Q711 WeakPolarHBondContact O-CB 3.34Å; N707-Q711 VanDerWaalsContact O-CG 3.24Å; N707-Q711 WeakPolarHBondContact O-CG 3.32Å; N707-Q711 PolarHBondContact O-N 3.45Å
708	E	82.8	Confident	78.2	Confident	126 Å²	126	73.7 Å²	73.7	59%	0.589	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-45.4	174.4	-73.9	-167.7	141.6	0	0	112.3	Y704 Q705 I710 Q711 Q712	Y704-E708 PolarHBondContact O-N 3.02Å; Q705-E708 PolarHBondContact O-N 2.85Å; E708-I710 VanDerWaalsContact C-N 3.34Å; E708-I710 PolarHBondContact O-N 3.03Å; E708-Q711 PolarHBondContact O-N 3.25Å; E708-Q712 WeakPolarHBondContact O-CG 3.41Å; E708-Q712 PolarHBondContact O-N 2.72Å
709	I	81.4	Confident	78.8	Confident	47 Å²	47	73 Å²	73	24%	0.241	37%	0.367	C	S	.	.	H	α-helix	trans	-61	-43.8	177.3	-67.4	163.5	0	0	0	110.7	Q705 E706 Q712 I713	Q705-I709 HydrophobicContact CG-CD1 4.3Å; Q705-I709 WeakPolarHBondContact O-CD1 3.3Å; Q705-I709 VanDerWaalsContact O-CG1 3.29Å; Q705-I709 WeakPolarHBondContact O-CG1 3.38Å; Q705-I709 PolarHBondContact O-N 2.73Å; Q705-I709 VanDerWaalsContact O-N 3.08Å; E706-I709 PolarHBondContact O-N 2.86Å; I709-Q712 PolarHBondContact O-N 3.31Å; I709-I713 HydrophobicContact CG2-CD1 3.97Å; I709-I713 VanDerWaalsContact O-CG1 3.31Å; I709-I713 WeakPolarHBondContact O-CG1 3.25Å; I709-I713 PolarHBondContact O-N 2.8Å
710	I	81.9	Confident	79	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-42.2	176.8	-69.4	169.1	0	0	0	111.1	R669 A670 T673 L702 E706 N707 E708 I713 V714	R669-I710 HydrophobicContact CB-CD1 4.14Å; A670-I710 HydrophobicContact CB-CG1 4.09Å; T673-I710 HydrophobicContact CG2-CG2 3.86Å; L702-I710 HydrophobicContact CD2-CD1 3.92Å; E706-I710 WeakPolarHBondContact O-CB 2.99Å; E706-I710 VanDerWaalsContact O-CG1 3.28Å; E706-I710 WeakPolarHBondContact O-CG1 3.26Å; E706-I710 PolarHBondContact O-N 2.83Å; N707-I710 PolarHBondContact O-N 3.24Å; E708-I710 VanDerWaalsContact C-N 3.34Å; E708-I710 PolarHBondContact O-N 3.03Å; I710-I713 PolarHBondContact O-N 3.43Å; I710-V714 WeakPolarHBondContact O-CG2 3.35Å; I710-V714 PolarHBondContact O-N 3.05Å
711	Q	83.1	Confident	79.4	Confident	117 Å²	117	71.2 Å²	71.2	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-38.9	176.2	-70.2	-70.1	-6.7	0	0	112.3	N707 E708 V714 Q715	N707-Q711 WeakPolarHBondContact O-CB 3.34Å; N707-Q711 VanDerWaalsContact O-CG 3.24Å; N707-Q711 WeakPolarHBondContact O-CG 3.32Å; N707-Q711 PolarHBondContact O-N 3.45Å; E708-Q711 PolarHBondContact O-N 3.25Å; Q711-V714 PolarHBondContact O-N 2.9Å; Q711-Q715 WeakPolarHBondContact O-CB 3.46Å; Q711-Q715 PolarHBondContact O-N 3.07Å
712	Q	83.3	Confident	79.7	Confident	106 Å²	106	72.9 Å²	72.9	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-42	173.7	-71.5	172.9	20.3	0	0	111.8	E708 I709 Q715 H716	E708-Q712 WeakPolarHBondContact O-CG 3.41Å; E708-Q712 PolarHBondContact O-N 2.72Å; I709-Q712 PolarHBondContact O-N 3.31Å; Q712-Q715 PolarHBondContact O-N 3.45Å; Q712-H716 WeakPolarHBondContact O-CB 3.27Å; Q712-H716 PolarHBondContact O-N 3.01Å
713	I	83.8	Confident	79.9	Confident	6 Å²	6	75.1 Å²	75.1	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-43	176	-67.8	165.1	0	0	0	111.1	L563 A670 V674 I709 I710 D717	L563-I713 HydrophobicContact CB-CG2 4.34Å; L563-I713 HydrophobicContact CD1-CG2 4.23Å; A670-I713 HydrophobicContact CB-CD1 4.24Å; V674-I713 HydrophobicContact CG2-CG2 3.86Å; I709-I713 HydrophobicContact CG2-CD1 3.97Å; I709-I713 VanDerWaalsContact O-CG1 3.31Å; I709-I713 WeakPolarHBondContact O-CG1 3.25Å; I709-I713 PolarHBondContact O-N 2.8Å; I710-I713 PolarHBondContact O-N 3.43Å; I713-D717 PolarHBondContact O-N 3.13Å
714	V	83.8	Confident	79.5	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.024	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-43	176.8	172.3	0	0	0	0	111.5	T673 V674 D677 I710 Q711 D717 R718	T673-V714 HydrophobicContact CG2-CG2 3.83Å; V674-V714 HydrophobicContact CG2-CG2 3.75Å; D677-V714 HydrophobicContact CB-CG1 4.03Å; I710-V714 WeakPolarHBondContact O-CG2 3.35Å; I710-V714 PolarHBondContact O-N 3.05Å; Q711-V714 PolarHBondContact O-N 2.9Å; V714-D717 PolarHBondContact O-N 3.39Å; V714-R718 WeakPolarHBondContact O-CG 3.46Å; V714-R718 PolarHBondContact O-N 3.24Å; V714-R718 VanDerWaalsContact O-N 3.07Å
715	Q	84.7	Confident	78.9	Confident	83 Å²	83	63.3 Å²	63.3	39%	0.388	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-45.9	178.2	-175.5	53.1	41.4	0	0	111	Q711 Q712 D717 R718 D719	Q711-Q715 WeakPolarHBondContact O-CB 3.46Å; Q711-Q715 PolarHBondContact O-N 3.07Å; Q712-Q715 PolarHBondContact O-N 3.45Å; Q715-D717 VanDerWaalsContact C-N 3.3Å; Q715-D717 PolarHBondContact O-N 2.93Å; Q715-R718 WeakPolarHBondContact O-CB 3.23Å; Q715-R718 PolarHBondContact O-N 3.4Å; Q715-R718 VanDerWaalsContact O-N 3.08Å; Q715-D719 PolarHBondContact NE2-OD1 3.45Å; Q715-D719 PolarHBondContact NE2-OD2 2.82Å; Q715-D719 VanDerWaalsContact O-CG 3.22Å; Q715-D719 PolarHBondContact O-N 3.47Å
716	H	80.1	Confident	78.1	Confident	84 Å²	84	61.1 Å²	61.1	39%	0.389	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-29	177.8	-161.9	-36.8	0	0	0	112.7	P562 Q712 D719 M720	P562-H716 HydrophobicContact CB-CB 4.09Å; P562-H716 HydrophobicContact CG-CB 3.77Å; P562-H716 VanDerWaalsContact CG-CD2 3.49Å; P562-H716 WeakPolarHBondContact CG-CD2 3.29Å; P562-H716 WeakPolarHBondContact CG-ND1 3.38Å; Q712-H716 WeakPolarHBondContact O-CB 3.27Å; Q712-H716 PolarHBondContact O-N 3.01Å; H716-D719 PolarHBondContact O-N 3.38Å; H716-M720 WeakPolarHBondContact ND1-CG 3.24Å; H716-M720 WeakPolarHBondContact O-CB 3.37Å; H716-M720 VanDerWaalsContact O-CG 3.28Å; H716-M720 WeakPolarHBondContact O-CG 3.39Å; H716-M720 PolarHBondContact O-N 3.48Å
717	D	83.9	Confident	77	Confident	18 Å²	18	66.5 Å²	66.5	10%	0.096	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-39.8	170	-176	78.3	0	0	0	112.3	V674 R678 R681 I713 V714 Q715 A721	V674-D717 HydrophobicContact CG1-CB 4.23Å; R678-D717 IonicContact CZ-OD1 3.34Å; R678-D717 VanDerWaalsContact CZ-OD1 3.28Å; R678-D717 IonicContact NE-OD1 3.7Å; R678-D717 PolarHBondContact NE-OD1 3.3Å; R678-D717 VanDerWaalsContact NE-OD1 3.12Å; R678-D717 IonicContact NE-OD2 2.67Å; R678-D717 PolarHBondContact NE-OD2 3.35Å; R678-D717 VanDerWaalsContact NE-OD2 3.16Å; R678-D717 IonicContact NH2-OD1 2.76Å; R678-D717 PolarHBondContact NH2-OD1 3.15Å; R681-D717 IonicContact CZ-OD2 3.32Å; R681-D717 VanDerWaalsContact CZ-OD2 3.25Å; R681-D717 IonicContact NH1-OD2 3.35Å; R681-D717 PolarHBondContact NH1-OD2 2.94Å; R681-D717 IonicContact NH2-OD2 3.26Å; R681-D717 PolarHBondContact NH2-OD2 3.35Å; I713-D717 PolarHBondContact O-N 3.13Å; V714-D717 PolarHBondContact O-N 3.39Å; Q715-D717 VanDerWaalsContact C-N 3.3Å; Q715-D717 PolarHBondContact O-N 2.93Å; D717-A721 WeakPolarHBondContact O-CB 3.32Å; D717-A721 PolarHBondContact O-N 3.12Å; D717-A721 VanDerWaalsContact O-N 3.08Å
718	R	83.2	Confident	75.7	Confident	96 Å²	96	67.4 Å²	67.4	36%	0.362	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-43.9	172.8	-67.3	168	173.7	175.8	-4	111.3	D677 V714 Q715 A721 H722	D677-R718 IonicContact OD1-CZ 3.62Å; D677-R718 IonicContact OD1-NE 3.45Å; D677-R718 PolarHBondContact OD1-NE 3.28Å; D677-R718 IonicContact OD1-NH2 2.68Å; D677-R718 PolarHBondContact OD1-NH2 3.04Å; D677-R718 WeakPolarHBondContact OD2-CG 3.32Å; D677-R718 IonicContact OD2-CZ 2.79Å; D677-R718 IonicContact OD2-NE 3.87Å; D677-R718 PolarHBondContact OD2-NE 3.19Å; D677-R718 IonicContact OD2-NH2 2.87Å; V714-R718 WeakPolarHBondContact O-CG 3.46Å; V714-R718 PolarHBondContact O-N 3.24Å; V714-R718 VanDerWaalsContact O-N 3.07Å; Q715-R718 WeakPolarHBondContact O-CB 3.23Å; Q715-R718 PolarHBondContact O-N 3.4Å; Q715-R718 VanDerWaalsContact O-N 3.08Å; R718-A721 PolarHBondContact O-N 3.19Å; R718-H722 WeakPolarHBondContact O-CB 3.32Å; R718-H722 PolarHBondContact O-N 3.12Å
719	D	82.6	Confident	73.8	Confident	72 Å²	72	66.7 Å²	66.7	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-42.6	-179.5	-63.1	-31.1	0	0	0	111.2	Q715 H716 A721 H722 C723	Q715-D719 PolarHBondContact NE2-OD1 3.45Å; Q715-D719 PolarHBondContact NE2-OD2 2.82Å; Q715-D719 VanDerWaalsContact O-CG 3.22Å; Q715-D719 PolarHBondContact O-N 3.47Å; H716-D719 PolarHBondContact O-N 3.38Å; D719-A721 PolarHBondContact O-N 2.94Å; D719-H722 PolarHBondContact O-N 3.13Å; D719-C723 WeakPolarHBondContact O-CB 3.29Å; D719-C723 PolarHBondContact O-N 2.7Å; D719-C723 PolarHBondContact O-SG 3.26Å; D719-C723 VanDerWaalsContact O-SG 3.37Å
720	M	78.2	Confident	71.6	Confident	48 Å²	48	67.5 Å²	67.5	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-45	173.1	-73.8	-70.2	-76.3	0	0	112.2	H716 H722 A724	H716-M720 WeakPolarHBondContact ND1-CG 3.24Å; H716-M720 WeakPolarHBondContact O-CB 3.37Å; H716-M720 VanDerWaalsContact O-CG 3.28Å; H716-M720 WeakPolarHBondContact O-CG 3.39Å; H716-M720 PolarHBondContact O-N 3.48Å; M720-H722 VanDerWaalsContact C-N 3.3Å; M720-H722 PolarHBondContact O-N 3.13Å; M720-A724 WeakPolarHBondContact O-CB 3.49Å; M720-A724 PolarHBondContact O-N 3.29Å
721	A	75.1	Confident	69.3	Low	30 Å²	30	72.2 Å²	72.2	25%	0.248	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-33.1	175.9	0	0	0	0	0	112.6	D717 R718 D719 H725	D717-A721 WeakPolarHBondContact O-CB 3.32Å; D717-A721 PolarHBondContact O-N 3.12Å; D717-A721 VanDerWaalsContact O-N 3.08Å; R718-A721 PolarHBondContact O-N 3.19Å; D719-A721 PolarHBondContact O-N 2.94Å; A721-H725 PolarHBondContact O-N 2.83Å
722	H	75.2	Confident	67	Low	116 Å²	116	72.9 Å²	72.9	54%	0.537	39%	0.393	S	S	.	.	H	α-helix	trans	-75.2	-43.8	177.5	-165.8	80	0	0	0	112	R718 D719 M720 A724 H725 L726	R718-H722 WeakPolarHBondContact O-CB 3.32Å; R718-H722 PolarHBondContact O-N 3.12Å; D719-H722 PolarHBondContact O-N 3.13Å; M720-H722 VanDerWaalsContact C-N 3.3Å; M720-H722 PolarHBondContact O-N 3.13Å; H722-A724 VanDerWaalsContact C-N 3.31Å; H722-A724 PolarHBondContact O-N 2.92Å; H722-H725 CarbonylContact O-C 3.28Å; H722-H725 WeakPolarHBondContact O-CA 3.41Å; H722-H725 WeakPolarHBondContact O-CB 3.21Å; H722-H725 PolarHBondContact O-N 3.46Å; H722-L726 WeakPolarHBondContact O-CG 3.2Å; H722-L726 PolarHBondContact O-N 3.49Å
723	C	69.8	Low	64.7	Low	71 Å²	71	76.5 Å²	76.5	48%	0.48	41%	0.41	S	S	.	.	H	α-helix	trans	-58.3	-41.7	173.2	-74.6	0	0	0	0	111.8	D719 H725 L726 M727	D719-C723 WeakPolarHBondContact O-CB 3.29Å; D719-C723 PolarHBondContact O-N 2.7Å; D719-C723 PolarHBondContact O-SG 3.26Å; D719-C723 VanDerWaalsContact O-SG 3.37Å; C723-H725 VanDerWaalsContact C-N 3.33Å; C723-H725 PolarHBondContact O-N 3.15Å; C723-L726 PolarHBondContact O-N 2.81Å; C723-M727 WeakPolarHBondContact O-CG 3.22Å; C723-M727 PolarHBondContact O-N 3.38Å
724	A	64.2	Low	62.3	Low	10 Å²	10	82 Å²	82	8%	0.083	44%	0.444	C	S	.	.	H	α-helix	trans	-61	-40.5	172.8	0	0	0	0	0	112.3	K619 M720 H722 M727 Q728	K619-A724 WeakPolarHBondContact O-CB 3.48Å; M720-A724 WeakPolarHBondContact O-CB 3.49Å; M720-A724 PolarHBondContact O-N 3.29Å; H722-A724 VanDerWaalsContact C-N 3.31Å; H722-A724 PolarHBondContact O-N 2.92Å; A724-M727 PolarHBondContact O-N 3.05Å; A724-Q728 WeakPolarHBondContact O-CB 3.03Å; A724-Q728 PolarHBondContact O-N 2.7Å
725	H	62.3	Low	60	Low	64 Å²	64	87.3 Å²	87.3	30%	0.296	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-30.2	175.2	-162.1	-35.9	0	0	0	112.9	A721 H722 C723 Q728 N729	A721-H725 PolarHBondContact O-N 2.83Å; H722-H725 CarbonylContact O-C 3.28Å; H722-H725 WeakPolarHBondContact O-CA 3.41Å; H722-H725 WeakPolarHBondContact O-CB 3.21Å; H722-H725 PolarHBondContact O-N 3.46Å; C723-H725 VanDerWaalsContact C-N 3.33Å; C723-H725 PolarHBondContact O-N 3.15Å; H725-Q728 WeakPolarHBondContact O-CB 3.38Å; H725-Q728 PolarHBondContact O-N 2.94Å; H725-N729 PolarHBondContact ND1-ND2 3.26Å; H725-N729 PolarHBondContact O-N 3.28Å; H725-N729 PolarHBondContact O-ND2 2.91Å
726	L	60.5	Low	57.6	Low	99 Å²	99	89.4 Å²	89.4	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-69.9	-44.4	172.9	-70.6	172.5	0	0	0	111.4	H722 C723 Q728 N729 A730	H722-L726 WeakPolarHBondContact O-CG 3.2Å; H722-L726 PolarHBondContact O-N 3.49Å; C723-L726 PolarHBondContact O-N 2.81Å; L726-Q728 PolarHBondContact O-N 3.39Å; L726-N729 PolarHBondContact O-N 2.7Å; L726-A730 PolarHBondContact O-N 2.92Å
727	M	56.9	Low	55.1	Low	151 Å²	151	89.8 Å²	89.8	74%	0.744	51%	0.512	S	S	*	.	H	α-helix	trans	-60.6	-32.1	172.7	-67.7	-173.5	75.5	0	0	112.3	C723 A724 N729 A730	C723-M727 WeakPolarHBondContact O-CG 3.22Å; C723-M727 PolarHBondContact O-N 3.38Å; A724-M727 PolarHBondContact O-N 3.05Å; M727-N729 PolarHBondContact O-N 3.07Å; M727-A730 PolarHBondContact O-N 3.49Å
728	Q	52.2	Low	52.6	Low	63 Å²	63	95.1 Å²	95.1	29%	0.294	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.3	176.7	-167.5	171.3	-5.5	0	0	113.9	E617 K619 A724 H725 L726	E617-Q728 PolarHBondContact O-NE2 2.84Å; K619-Q728 HydrophobicContact CD-CG 4.2Å; A724-Q728 WeakPolarHBondContact O-CB 3.03Å; A724-Q728 PolarHBondContact O-N 2.7Å; H725-Q728 WeakPolarHBondContact O-CB 3.38Å; H725-Q728 PolarHBondContact O-N 2.94Å; L726-Q728 PolarHBondContact O-N 3.39Å
729	N	43.5	Very low	50.1	Low	111 Å²	111	96 Å²	96	59%	0.594	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-1.2	178.1	-71.9	-24.7	0	0	0	113.8	H725 L726 M727	H725-N729 PolarHBondContact ND1-ND2 3.26Å; H725-N729 PolarHBondContact O-N 3.28Å; H725-N729 PolarHBondContact O-ND2 2.91Å; L726-N729 PolarHBondContact O-N 2.7Å; M727-N729 PolarHBondContact O-N 3.07Å
730	A	36.3	Very low	47.6	Very low	64 Å²	64	98 Å²	98	53%	0.529	58%	0.58	S	S	.	*	S	Bend	trans	-69.3	136.2	175.8	0	0	0	0	0	110.6	L726 M727	L726-A730 PolarHBondContact O-N 2.92Å; M727-A730 PolarHBondContact O-N 3.49Å
731	P	32.2	Very low	45.2	Very low	103 Å²	103	102.4 Å²	102.4	67%	0.669	61%	0.61	S	S	*	*			trans	-63.2	149.3	172.7	28.1	-34.4	0	0	0	109.9	Q733	P731-Q733 PolarHBondContact O-N 2.93Å
732	P	35.6	Very low	43.2	Very low	132 Å²	132	107.8 Å²	107.8	86%	0.857	63%	0.633	S	S	*	*			trans	-63.4	105.4	-179.1	26.4	-34.2	0	0	0	109.8	T734	P732-T734 PolarHBondContact O-N 2.8Å
733	Q	34.3	Very low	41	Very low	181 Å²	181	112.7 Å²	112.7	85%	0.846	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-64.2	125.5	172.5	-69	-169.8	-5.8	0	0	108.7	P731	P731-Q733 PolarHBondContact O-N 2.93Å
734	T	34.8	Very low	38.9	Very low	122 Å²	122	113.8 Å²	113.8	75%	0.748	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-53.8	135.2	166.9	46.7	0	0	0	0	108.9	P732	P732-T734 PolarHBondContact O-N 2.8Å
735	P	34.8	Very low	37.5	Very low	116 Å²	116	118 Å²	118	75%	0.753	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-57.3	130.5	177.3	24.9	-33.7	0	0	0	109.1	S737	P735-S737 PolarHBondContact O-N 3.49Å
736	P	33.2	Very low	36	Very low	126 Å²	126	122 Å²	122	82%	0.818	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-59.8	135.3	177.3	24.9	-33.1	0	0	0	109.2
737	S	27.3	Very low	34.6	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.3	176.8	47.3	0	0	0	0	110.4	P735 T739	P735-S737 PolarHBondContact O-N 3.49Å; S737-T739 PolarHBondContact O-N 3.5Å
738	P	32.8	Very low	33.6	Very low	130 Å²	130	125.4 Å²	125.4	84%	0.844	72%	0.724	S	S	*	*			trans	-74.2	88.8	-173.7	29.6	-35.3	0	0	0	111.2
739	T	29.6	Very low	32.5	Very low	113 Å²	113	126.2 Å²	126.2	69%	0.693	74%	0.742	S	S	*	*			trans	-73.3	131.9	163.8	44.2	0	0	0	0	109.6	S737 V741	S737-T739 PolarHBondContact O-N 3.5Å; T739-V741 PolarHBondContact O-N 3.21Å; T739-V741 VanDerWaalsContact O-N 3.15Å
740	P	29.7	Very low	32.1	Very low	115 Å²	115	126.4 Å²	126.4	75%	0.747	75%	0.749	S	S	*	*			trans	-80	103.1	-167.7	30	-35.1	0	0	0	112.2	I742	P740-I742 PolarHBondContact O-N 2.85Å
741	V	29.7	Very low	32	Very low	141 Å²	141	131.4 Å²	131.4	86%	0.855	77%	0.766	S	S	*	*			trans	-80.5	99.6	171.1	-178.3	0	0	0	0	109.8	T739 W743	T739-V741 PolarHBondContact O-N 3.21Å; T739-V741 VanDerWaalsContact O-N 3.15Å; V741-W743 PolarHBondContact O-N 3.47Å
742	I	31.3	Very low	32.4	Very low	142 Å²	142	133.6 Å²	133.6	73%	0.728	77%	0.767	S	S	*	*			trans	-88.1	104.6	177.1	-65.8	179	0	0	0	109.7	P740	P740-I742 PolarHBondContact O-N 2.85Å
743	W	29.1	Very low	32.3	Very low	220 Å²	220	131 Å²	131	83%	0.833	76%	0.758	S	S	*	*			trans	54.1	115.6	153.7	-73.4	82.4	0	0	0	121.2	V741	V741-W743 PolarHBondContact O-N 3.47Å
744	A	26.1	Very low	32.2	Very low	93 Å²	93	125.6 Å²	125.6	77%	0.769	74%	0.744	S	S	*	*			trans	-129.9	152.6	139.1	0	0	0	0	0	108.2
745	P	36.2	Very low	32.3	Very low	99 Å²	99	123.7 Å²	123.7	64%	0.643	74%	0.74	S	S	*	*			trans	-90.3	136.2	-146.2	32.6	-36.5	0	0	0	116.1	I747	P745-I747 PolarHBondContact O-N 2.88Å
746	L	29.2	Very low	32.4	Very low	149 Å²	149	121.7 Å²	121.7	78%	0.78	73%	0.734	S	S	*	*			trans	-84.2	88.1	163.5	-173.2	74.1	0	0	0	110.2
747	I	32.7	Very low	32.6	Very low	135 Å²	135	120.2 Å²	120.2	69%	0.692	72%	0.722	S	S	*	*			trans	-84.5	148.1	162.9	-67.2	175.3	0	0	0	108.2	P745	P745-I747 PolarHBondContact O-N 2.88Å
748	Q	35.7	Very low	33.3	Very low	185 Å²	185	119.4 Å²	119.4	86%	0.864	71%	0.714	S	S	*	*			trans	69.7	79	-176.2	-69.3	165.5	-85.1	0	0	116.9
749	A	29.2	Very low	33.4	Very low	81 Å²	81	117.4 Å²	117.4	67%	0.669	70%	0.702	S	S	*	*			trans	-135.7	150.5	143	0	0	0	0	0	109.5
750	P	34	Very low	33.8	Very low	115 Å²	115	116.2 Å²	116.2	75%	0.747	70%	0.695	S	S	*	*			trans	-74.8	161.4	-168.9	-19.7	34.5	0	0	0	116.1	Q752	P750-Q752 PolarHBondContact O-N 3.3Å
751	L	33.5	Very low	34.1	Very low	169 Å²	169	113.5 Å²	113.5	89%	0.885	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-58.1	0.1	-170	-82.5	153.4	0	0	0	118.4
752	Q	40.7	Very low	34.8	Very low	148 Å²	148	111.6 Å²	111.6	69%	0.692	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-80.2	-16.4	-171.2	-72.8	177.1	-23.2	0	0	115.1	P750	P750-Q752 PolarHBondContact O-N 3.3Å
753	A	34.7	Very low	35.1	Very low	79 Å²	79	107.9 Å²	107.9	65%	0.653	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-76.5	-19.5	-178.6	0	0	0	0	0	114.3	A755	A753-A755 PolarHBondContact O-N 3.19Å
754	A	32.5	Very low	35.6	Very low	67 Å²	67	103.5 Å²	103.5	55%	0.554	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-72.3	-22.7	-169.3	0	0	0	0	0	114.8	T757	A754-T757 PolarHBondContact O-OG1 3.47Å
755	A	36.7	Very low	36.4	Very low	81 Å²	81	104.1 Å²	104.1	67%	0.669	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-78.7	-19.5	-177.2	0	0	0	0	0	114	A753	A753-A755 PolarHBondContact O-N 3.19Å
756	A	36	Very low	36.5	Very low	75 Å²	75	106.6 Å²	106.6	62%	0.62	65%	0.646	S	S	*	*	S	Bend	trans	-85.2	-20	-172.9	0	0	0	0	0	114.1
757	T	38.3	Very low	36.6	Very low	94 Å²	94	107.6 Å²	107.6	58%	0.577	65%	0.646	S	S	*	*	S	Bend	trans	-87.4	-24.4	-173.8	51.6	0	0	0	0	113.5	A754 S759 V760 A761	A754-T757 PolarHBondContact O-OG1 3.47Å; T757-S759 PolarHBondContact O-N 3.39Å; T757-V760 PolarHBondContact O-N 2.82Å; T757-A761 PolarHBondContact O-N 2.91Å
758	T	40.6	Very low	36.8	Very low	77 Å²	77	105.9 Å²	105.9	47%	0.472	64%	0.643	S	S	.	*	H	α-helix	trans	-62.2	-43.9	-174.9	-34.3	0	0	0	0	112.2	V760 A761 I762	T758-V760 VanDerWaalsContact C-N 3.33Å; T758-V760 PolarHBondContact O-N 3.46Å; T758-A761 PolarHBondContact O-N 3.28Å; T758-I762 HydrophobicContact CG2-CD1 4.11Å; T758-I762 WeakPolarHBondContact O-CG1 3.41Å; T758-I762 PolarHBondContact O-N 3.45Å
759	S	36.4	Very low	36.5	Very low	87 Å²	87	105.7 Å²	105.7	61%	0.608	64%	0.642	S	S	*	*	H	α-helix	trans	-65.6	-34	-179.1	-49.5	0	0	0	0	113.1	T757 A763	T757-S759 PolarHBondContact O-N 3.39Å; S759-A763 WeakPolarHBondContact O-CB 3.26Å; S759-A763 PolarHBondContact O-N 2.86Å; S759-A763 VanDerWaalsContact O-N 3.13Å
760	V	37.6	Very low	36.7	Very low	89 Å²	89	110 Å²	110	54%	0.539	65%	0.653	S	S	.	*	H	α-helix	trans	-76	-37.7	177.4	-177.7	0	0	0	0	110.7	T757 T758 A763 L764	T757-V760 PolarHBondContact O-N 2.82Å; T758-V760 VanDerWaalsContact C-N 3.33Å; T758-V760 PolarHBondContact O-N 3.46Å; V760-A763 PolarHBondContact O-N 2.88Å; V760-L764 HydrophobicContact CG1-CD1 4.22Å; V760-L764 WeakPolarHBondContact O-CG 3.21Å; V760-L764 PolarHBondContact O-N 3.49Å
761	A	36.7	Very low	36.5	Very low	57 Å²	57	109.9 Å²	109.9	47%	0.471	65%	0.652	S	S	.	*	H	α-helix	trans	-61.2	-43.4	174.2	0	0	0	0	0	112	T757 T758 L764	T757-A761 PolarHBondContact O-N 2.91Å; T758-A761 PolarHBondContact O-N 3.28Å; A761-L764 PolarHBondContact O-N 3.5Å
762	I	43.8	Very low	36.4	Very low	102 Å²	102	108 Å²	108	52%	0.523	65%	0.65	S	S	.	*	H	α-helix	trans	-69.3	-33.3	177.5	-66	166.4	0	0	0	111.9	T758 L764 T765	T758-I762 HydrophobicContact CG2-CD1 4.11Å; T758-I762 WeakPolarHBondContact O-CG1 3.41Å; T758-I762 PolarHBondContact O-N 3.45Å; I762-L764 VanDerWaalsContact C-N 3.28Å; I762-L764 PolarHBondContact O-N 3.17Å; I762-T765 PolarHBondContact O-OG1 2.85Å
763	A	37.8	Very low	35.9	Very low	63 Å²	63	107.2 Å²	107.2	52%	0.521	66%	0.656	S	S	.	*	H	α-helix	trans	-66.1	-29.6	175.4	0	0	0	0	0	113	S759 V760	S759-A763 WeakPolarHBondContact O-CB 3.26Å; S759-A763 PolarHBondContact O-N 2.86Å; S759-A763 VanDerWaalsContact O-N 3.13Å; V760-A763 PolarHBondContact O-N 2.88Å
764	L	39.5	Very low	35.6	Very low	129 Å²	129	110.9 Å²	110.9	68%	0.675	66%	0.663	S	S	*	*	H	α-helix	trans	-83.4	-13	-177.2	-72.8	167.5	0	0	0	114.3	V760 A761 I762 H766	V760-L764 HydrophobicContact CG1-CD1 4.22Å; V760-L764 WeakPolarHBondContact O-CG 3.21Å; V760-L764 PolarHBondContact O-N 3.49Å; A761-L764 PolarHBondContact O-N 3.5Å; I762-L764 VanDerWaalsContact C-N 3.28Å; I762-L764 PolarHBondContact O-N 3.17Å; L764-H766 VanDerWaalsContact C-N 3.33Å; L764-H766 PolarHBondContact O-N 3.5Å
765	T	42.5	Very low	35.3	Very low	105 Å²	105	118.3 Å²	118.3	64%	0.644	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	3.7	-178	48.6	0	0	0	0	115.2	I762	I762-T765 PolarHBondContact O-OG1 2.85Å
766	H	37.3	Very low	35	Very low	152 Å²	152	125.8 Å²	125.8	70%	0.704	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	7.6	-171.5	-77.6	-71.8	0	0	0	116.4	L764	L764-H766 VanDerWaalsContact C-N 3.33Å; L764-H766 PolarHBondContact O-N 3.5Å
767	H	33.2	Very low	34.7	Very low	169 Å²	169	127.3 Å²	127.3	78%	0.782	70%	0.698	S	S	*	*			trans	-102.3	116	175.8	-80	-79.2	0	0	0	112.6
768	P	35.8	Very low	34.3	Very low	99 Å²	99	128.9 Å²	128.9	64%	0.643	71%	0.71	S	S	*	*			trans	-78.2	153.9	169	33	-34	0	0	0	111.7
769	H	30.2	Very low	33.7	Very low	182 Å²	182	131.3 Å²	131.3	84%	0.843	73%	0.725	S	S	*	*			trans	74.5	80.3	173.4	-46.7	-74.1	0	0	0	118.2
770	L	32.3	Very low	33.1	Very low	172 Å²	172	132.9 Å²	132.9	90%	0.901	74%	0.735	S	S	*	*			trans	-134.8	152.1	144.3	-82.2	179	0	0	0	110.1
771	P	31.1	Very low	32.5	Very low	111 Å²	111	135.2 Å²	135.2	72%	0.721	75%	0.749	S	S	*	*			trans	-85.6	156.4	-166.2	33.5	-36.1	0	0	0	114.5	T773	P771-T773 PolarHBondContact O-N 2.99Å
772	P	30	Very low	31.9	Very low	130 Å²	130	140.1 Å²	140.1	84%	0.844	77%	0.767	S	S	*	*			trans	-95.1	99	-168.6	35.7	-34.6	0	0	0	114.6
773	T	30.5	Very low	30.9	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	78%	0.778	S	S	*	*			trans	-138.6	159.1	154.5	54.1	0	0	0	0	110.5	P771	P771-T773 PolarHBondContact O-N 2.99Å
774	L	28	Very low	30.3	Very low	156 Å²	156	142.7 Å²	142.7	82%	0.817	79%	0.79	S	S	*	*			trans	65.1	67.7	175.8	-56	176.3	0	0	0	117.6
775	F	27.8	Very low	29.5	Very low	224 Å²	224	143.2 Å²	143.2	98%	0.982	79%	0.793	S	S	*	*			trans	-149.7	123.9	131.5	-89.5	-63.8	0	0	0	110.6
776	R	28.8	Very low	28.6	Very low	238 Å²	238	146.3 Å²	146.3	90%	0.898	80%	0.797	S	S	*	*			trans	-138.9	126.3	173.9	-173	179.3	-171.1	167.3	4.3	108.1
777	P	29.9	Very low	28	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-76.4	142.1	-177.8	30.4	-34.4	0	0	0	111.4
778	P	30.9	Very low	28.2	Very low	126 Å²	126	141.9 Å²	141.9	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-76.4	137.9	165.6	31.9	-32.2	0	0	0	110.2
779	V	27	Very low	27.6	Very low	129 Å²	129	142.1 Å²	142.1	78%	0.782	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-100	134.7	176.6	174.8	0	0	0	0	109.5
780	S	23.6	Very low	27.4	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.6	130.9	174.7	-52.1	0	0	0	0	111.5
781	V	26	Very low	27	Very low	138 Å²	138	142 Å²	142	84%	0.836	79%	0.788	S	S	*	*			trans	-133	122.5	164.2	-179.1	0	0	0	0	108.8
782	L	24.3	Very low	26.7	Very low	161 Å²	161	143.5 Å²	143.5	84%	0.843	79%	0.789	S	S	*	*			trans	-146.5	117.2	169.5	-178	127.8	0	0	0	109.2
783	S	21.8	Very low	26.4	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	79%	0.789	S	S	*	*			trans	174.2	108.3	142.2	-82.1	0	0	0	0	111.8
784	S	25	Very low	26	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	79%	0.785	S	S	*	*			trans	-160	106.1	132.2	-159.6	0	0	0	0	109.8
785	L	24.3	Very low	25.8	Very low	140 Å²	140	150.3 Å²	150.3	73%	0.733	78%	0.782	S	S	*	*				29	126.2	129.9	-83.7	73.2	0	0	0	119
786	K	22.6	Very low	25.5	Very low	170 Å²	170	148.2 Å²	148.2	74%	0.739	78%	0.776	S	S	*	*				79.6	129.5	68.6	-172.1	-175.5	-179	-177.8	0	110.8
787	D	24.2	Very low	25.8	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	77%	0.767	S	S	*	*			cis	-144.6	-136.9	9.6	-122.9	-20.5	0	0	0	110.6
788	P	38.8	Very low	25.4	Very low	99 Å²	99	145.9 Å²	145.9	64%	0.643	77%	0.772	S	S	*	*				-131.7	-178.2	-90.3	42.2	-25.2	0	0	0	115.8
789	S	23.1	Very low	25.1	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	77%	0.767	S	S	*	*			trans	70.1	157.2	147.9	81.6	0	0	0	0	118.6
790	T	24.7	Very low	25.7	Very low	126 Å²	126	144.9 Å²	144.9	77%	0.773	77%	0.766	S	S	*	*			cis	-149.4	165	-5.6	-15.4	0	0	0	0	112.7
791	R	24.6	Very low	25.8	Very low	226 Å²	226	143.5 Å²	143.5	85%	0.853	76%	0.757	S	S	*	*			trans	-44.3	143.4	169.9	-41.2	167	-179.7	-169.4	-1.5	113.2
792	L	24.1	Very low	25.7	Very low	142 Å²	142	142 Å²	142	74%	0.743	75%	0.752	S	S	*	*				173.1	143.1	84.1	-105.2	157.9	0	0	0	114
793	R	23.6	Very low	25.9	Very low	222 Å²	222	140.7 Å²	140.7	84%	0.838	75%	0.751	S	S	*	*			trans	40.8	116.4	145.5	-81.5	-179.5	-178.2	175.9	0	123.4
794	K	22.2	Very low	26.1	Very low	164 Å²	164	139.6 Å²	139.6	71%	0.713	75%	0.749	S	S	*	*				89.3	149.6	116.5	-158.1	-178.8	177.5	-173.7	0	119.5
795	F	23.7	Very low	27	Very low	175 Å²	175	140.4 Å²	140.4	77%	0.768	75%	0.751	S	S	*	*			trans	86.5	110.5	169.5	-68	-71.9	0	0	0	119.6
796	Q	22.7	Very low	27.1	Very low	180 Å²	180	137 Å²	137	84%	0.841	75%	0.75	S	S	*	*			trans	-64	156.2	139.6	-90.9	178.2	-23.7	0	0	109.6
797	P	34.1	Very low	27.3	Very low	110 Å²	110	134.6 Å²	134.6	71%	0.714	76%	0.755	S	S	*	*				-151.5	167.4	60.7	38.7	-17.6	0	0	0	119.5
798	F	22	Very low	27.4	Very low	185 Å²	185	134 Å²	134	81%	0.811	76%	0.76	S	S	*	*			trans	60.5	126.8	149.8	-83.9	-123.2	0	0	0	119.4
799	V	25.1	Very low	26.8	Very low	117 Å²	117	132.8 Å²	132.8	71%	0.709	77%	0.767	S	S	*	*				74.1	143.9	66.7	166	0	0	0	0	111.9
800	P	38.3	Very low	27	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	77%	0.772	S	S	*	*			cis	-112.1	-145.9	6.1	45.5	-34.3	0	0	0	112.4
801	S	25.7	Very low	27.1	Very low	91 Å²	91	134.4 Å²	134.4	64%	0.636	77%	0.77	S	S	*	*			cis	-163.4	147.9	0.3	43.8	0	0	0	0	112.8
802	S	25.8	Very low	27.2	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	77%	0.77	S	S	*	*			trans	59	155	145.3	63.8	0	0	0	0	120.7
803	T	26.8	Very low	27.3	Very low	134 Å²	134	129.3 Å²	129.3	82%	0.822	77%	0.768	S	S	*	*			cis	-150.3	158.2	11.9	-22.2	0	0	0	0	111.5
804	A	26.8	Very low	27.5	Very low	84 Å²	84	124.2 Å²	124.2	69%	0.694	77%	0.766	S	S	*	*			trans	-106.5	-164.1	160.1	0	0	0	0	0	108.5
805	P	43.3	Very low	27.8	Very low	128 Å²	128	122.9 Å²	122.9	83%	0.831	77%	0.772	S	S	*	*			cis	-136.3	-175.7	-10.9	42.7	-26	0	0	0	114.6
806	G	26.5	Very low	28.7	Very low	69 Å²	69	120.2 Å²	120.2	71%	0.711	77%	0.772	S	S	*	*				114.7	145.3	125.6	0	0	0	0	0	121.9
807	S	26.9	Very low	28.9	Very low	119 Å²	119	116.3 Å²	116.3	83%	0.832	76%	0.764	S	S	*	*			trans	68.3	125.7	147	-153.5	0	0	0	0	123.4
808	S	26.9	Very low	28.6	Very low	116 Å²	116	119.8 Å²	119.8	81%	0.811	77%	0.768	S	S	*	*			trans	-59.6	163.1	156.9	47.6	0	0	0	0	116.1
809	G	26.6	Very low	28.7	Very low	75 Å²	75	117.9 Å²	117.9	77%	0.773	77%	0.766	S	S	*	*			trans	165.4	120.1	158.5	0	0	0	0	0	114.9
810	D	26	Very low	28.7	Very low	159 Å²	159	119.8 Å²	119.8	85%	0.85	77%	0.767	S	S	*	*			trans	-78.1	159.7	-177	-49.4	-80.9	0	0	0	115.1
811	S	27.5	Very low	28.2	Very low	104 Å²	104	119.1 Å²	119.1	73%	0.727	77%	0.765	S	S	*	*				166.9	133.5	124.5	-79.3	0	0	0	0	116.1
812	L	25.6	Very low	28.2	Very low	164 Å²	164	118 Å²	118	86%	0.859	77%	0.768	S	S	*	*			trans	56.5	151.5	145.7	-84.1	75	0	0	0	120.2
813	S	26.5	Very low	28.3	Very low	98 Å²	98	119.2 Å²	119.2	69%	0.685	77%	0.771	S	S	*	*			cis	-166.3	-176.1	-8.2	57.5	0	0	0	0	111.8
814	S	27.6	Very low	28.3	Very low	115 Å²	115	120.1 Å²	120.1	80%	0.804	77%	0.771	S	S	*	*			trans	95.1	133.8	165	78.2	0	0	0	0	119
815	T	28.5	Very low	28.3	Very low	136 Å²	136	124.5 Å²	124.5	83%	0.834	78%	0.779	S	S	*	*			trans	-133.7	-169.6	-176.5	56.1	0	0	0	0	106.6
816	P	43.1	Very low	28.2	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	77%	0.771	S	S	*	*			cis	-129.9	-167.5	-0.2	46.6	-29.5	0	0	0	112.3
817	S	28	Very low	28.2	Very low	98 Å²	98	126.9 Å²	126.9	69%	0.685	77%	0.773	S	S	*	*			cis	-151.1	179.9	7.9	54.9	0	0	0	0	107.8
818	K	26.9	Very low	28.2	Very low	183 Å²	183	128.5 Å²	128.5	80%	0.796	77%	0.772	S	S	*	*			cis	-136.7	168.3	19.4	-72	-172.9	177.9	178.8	0	109.4
819	L	24.3	Very low	28.1	Very low	145 Å²	145	127 Å²	127	76%	0.759	77%	0.767	S	S	*	*			cis	69.3	120	47.9	-118.3	80	0	0	0	114
820	H	25.7	Very low	28.1	Very low	157 Å²	157	127.8 Å²	127.8	73%	0.727	77%	0.765	S	S	*	*			cis	-156.1	155.7	0.6	-138.8	-39.5	0	0	0	111.2
821	S	27.3	Very low	28.1	Very low	103 Å²	103	129 Å²	129	72%	0.72	76%	0.763	S	S	*	*			trans	24.1	147.2	147.3	55.7	0	0	0	0	122.5
822	G	26	Very low	28	Very low	69 Å²	69	135 Å²	135	71%	0.711	77%	0.77	S	S	*	*			cis	146.1	-169.1	4.7	0	0	0	0	0	112.2
823	V	28.3	Very low	28	Very low	129 Å²	129	130.8 Å²	130.8	78%	0.782	76%	0.759	S	S	*	*			trans	75.6	109.6	163.2	-174	0	0	0	0	119.1
824	D	25.2	Very low	28.1	Very low	154 Å²	154	134.6 Å²	134.6	82%	0.824	77%	0.766	S	S	*	*			trans	54.6	150	138.6	-55.9	-22.3	0	0	0	126.8
825	M	28	Very low	28.1	Very low	175 Å²	175	137 Å²	137	86%	0.862	76%	0.764	S	S	*	*			trans	-65.1	175.7	160.4	-77.7	-80.4	179.6	0	0	111.8
826	P	41.4	Very low	28.1	Very low	103 Å²	103	138.1 Å²	138.1	67%	0.669	76%	0.761	S	S	*	*			cis	-150.5	-179.6	24.9	45.1	-24.2	0	0	0	119.4
827	L	26.4	Very low	27.6	Very low	144 Å²	144	138.9 Å²	138.9	75%	0.754	76%	0.764	S	S	*	*			trans	57	131.7	139.3	-76.5	168.1	0	0	0	124.4
828	L	26.5	Very low	28	Very low	154 Å²	154	140.1 Å²	140.1	81%	0.806	77%	0.773	S	S	*	*			trans	73.3	131.6	133.5	-87.7	169.9	0	0	0	124.4
829	A	25.6	Very low	28.3	Very low	85 Å²	85	134.9 Å²	134.9	70%	0.702	77%	0.771	S	S	*	*				95.4	155.1	127	0	0	0	0	0	122
830	A	26.8	Very low	28.9	Very low	90 Å²	90	134.4 Å²	134.4	74%	0.744	78%	0.779	S	S	*	*			trans	61.3	117.1	167.1	0	0	0	0	0	118.1
831	F	24.4	Very low	29.4	Very low	185 Å²	185	129.8 Å²	129.8	81%	0.811	78%	0.775	S	S	*	*				79.2	114.6	63.4	-101.2	-72.6	0	0	0	116.1
832	R	25.4	Very low	29.5	Very low	229 Å²	229	131.2 Å²	131.2	86%	0.864	78%	0.779	S	S	*	*			trans	76	157.7	139.3	-116.2	175.3	-172.8	157.7	1.7	120.6
833	A	26.1	Very low	30.1	Very low	77 Å²	77	135.3 Å²	135.3	64%	0.636	79%	0.79	S	S	*	*			trans	83.8	114.9	147.5	0	0	0	0	0	120.1
834	H	28.2	Very low	30.2	Very low	177 Å²	177	132.7 Å²	132.7	82%	0.819	79%	0.789	S	S	*	*			trans	40.7	118.1	142.4	-52.3	-69.6	0	0	0	119.6
835	H	27	Very low	30.3	Very low	167 Å²	167	130.7 Å²	130.7	77%	0.773	79%	0.787	S	S	*	*			cis	71.4	145.6	45.2	-151.8	-72.1	0	0	0	113.6
836	M	28.7	Very low	30.3	Very low	158 Å²	158	127.8 Å²	127.8	78%	0.778	78%	0.78	S	S	*	*			trans	85.1	138.3	-164.5	-50.8	-55.1	-173.1	0	0	113.2
837	T	32.8	Very low	29.7	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	79%	0.785	S	S	*	*			cis	-153.8	162.8	-5.3	0.9	0	0	0	0	111.3
838	S	37.4	Very low	30	Very low	125 Å²	125	134.3 Å²	134.3	87%	0.874	79%	0.788	S	S	*	*			trans	-90	159.8	172.3	-172.8	0	0	0	0	112.4
839	G	32	Very low	30.3	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	78%	0.784	S	S	*	*			trans	-154	158.6	176.4	0	0	0	0	0	111.4
840	S	38.8	Very low	30.8	Very low	135 Å²	135	132.2 Å²	132.2	94%	0.944	79%	0.792	S	S	*	*			trans	-145.9	157.1	-166.7	-175.6	0	0	0	0	112.4
841	G	34.8	Very low	31.1	Very low	61 Å²	61	131.5 Å²	131.5	63%	0.629	79%	0.793	S	S	*	*			trans	124	100.7	162.4	0	0	0	0	0	117.3
842	T	30.4	Very low	31.5	Very low	133 Å²	133	131.1 Å²	131.1	82%	0.816	80%	0.799	S	S	*	*			trans	33.9	111	143.4	52.1	0	0	0	0	121.6	G844	T842-G844 PolarHBondContact O-N 3.3Å
843	V	37.3	Very low	31.9	Very low	154 Å²	154	124 Å²	124	93%	0.933	80%	0.797	S	S	*	*	S	Bend	trans	11.2	98.3	145	-169.3	0	0	0	0	118.3
844	G	30.8	Very low	32.2	Very low	74 Å²	74	123.6 Å²	123.6	76%	0.763	80%	0.8	S	S	*	*			trans	73.5	148.6	165.8	0	0	0	0	0	114.9	T842	T842-G844 PolarHBondContact O-N 3.3Å
845	S	27.6	Very low	32.4	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	80%	0.804	S	S	*	*			cis	-157.6	163.4	-7.4	-174.4	0	0	0	0	108.6
846	T	27.1	Very low	32.5	Very low	115 Å²	115	127.9 Å²	127.9	71%	0.706	81%	0.811	S	S	*	*			trans	77.9	130	165.7	-11.2	0	0	0	0	118.9
847	R	30.5	Very low	32.6	Very low	206 Å²	206	123.7 Å²	123.7	78%	0.777	81%	0.808	S	S	*	*			trans	37.9	131.6	143.4	-78.9	175.1	174.4	174.8	-2.2	122.4
848	Q	31.6	Very low	32.5	Very low	178 Å²	178	124.2 Å²	124.2	83%	0.832	81%	0.806	S	S	*	*			trans	66.7	156	141.2	-63.4	164	-50.7	0	0	116.4
849	G	33.7	Very low	32.1	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	80%	0.804	S	S	*	*			cis	174.6	160.3	-7.7	0	0	0	0	0	112
850	S	34.5	Very low	32	Very low	125 Å²	125	125.3 Å²	125.3	87%	0.874	80%	0.8	S	S	*	*			trans	21.4	111.8	159.8	-54.4	0	0	0	0	122.2
851	G	35	Very low	31.7	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	80%	0.799	S	S	*	*				79.9	-169.7	124.7	0	0	0	0	0	118.5
852	L	32.7	Very low	31.4	Very low	177 Å²	177	126.2 Å²	126.2	93%	0.927	80%	0.8	S	S	*	*			cis	-167.7	126.1	-17.2	-126	166.5	0	0	0	109.1
853	G	32.8	Very low	31.4	Very low	80 Å²	80	125.4 Å²	125.4	83%	0.825	80%	0.8	S	S	*	*			trans	73.9	170	177.2	0	0	0	0	0	115.4
854	G	31.9	Very low	31.2	Very low	68 Å²	68	124.4 Å²	124.4	70%	0.701	79%	0.794	S	S	*	*			cis	169.7	173.5	-6.7	0	0	0	0	0	112.9
855	Q	32.8	Very low	31.2	Very low	193 Å²	193	125.6 Å²	125.6	90%	0.902	79%	0.79	S	S	*	*			trans	68.5	147.4	173.5	-53	-176.7	12.4	0	0	114.7
856	R	30	Very low	31.4	Very low	242 Å²	242	124.8 Å²	124.8	91%	0.913	79%	0.785	S	S	*	*			cis	90.5	120.8	21.3	-165.3	-170.2	-170.7	-153.8	4.2	113.6
857	G	30.9	Very low	31.6	Very low	70 Å²	70	127.7 Å²	127.7	72%	0.722	79%	0.791	S	S	*	*			trans	92	126.6	-171	0	0	0	0	0	110.4
858	N	29.9	Very low	31.5	Very low	144 Å²	144	121.8 Å²	121.8	77%	0.77	79%	0.793	S	S	*	*			cis	82.1	111.1	13.2	-150.4	89.9	0	0	0	116.4
859	N	29.4	Very low	31.3	Very low	158 Å²	158	116.4 Å²	116.4	85%	0.845	79%	0.786	S	S	*	*			trans	71.5	143	174.7	-63.3	-1.3	0	0	0	118.3
860	G	29.6	Very low	31	Very low	63 Å²	63	119.1 Å²	119.1	65%	0.649	79%	0.789	S	S	*	*			trans	130.2	72.3	178.4	0	0	0	0	0	113.1
861	T	31.5	Very low	30.7	Very low	151 Å²	151	120.1 Å²	120.1	93%	0.926	78%	0.784	S	S	*	*				76	121.8	84.3	60.2	0	0	0	0	116.5
862	G	29.4	Very low	30.3	Very low	64 Å²	64	122.7 Å²	122.7	66%	0.66	79%	0.785	S	S	*	*			trans	148.4	93.9	170.4	0	0	0	0	0	110.7
863	S	31.1	Very low	30.1	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	78%	0.781	S	S	*	*				65.8	126.2	78.4	75.2	0	0	0	0	112.2
864	V	31.5	Very low	30.7	Very low	132 Å²	132	124.3 Å²	124.3	80%	0.8	77%	0.772	S	S	*	*			cis	-160.5	154.4	33.6	170.6	0	0	0	0	108.1
865	S	30.9	Very low	30.5	Very low	99 Å²	99	130.9 Å²	130.9	69%	0.692	78%	0.782	S	S	*	*			cis	-170.4	168.7	-30.6	63.8	0	0	0	0	109.5
866	S	32.6	Very low	30.1	Very low	95 Å²	95	124.8 Å²	124.8	66%	0.664	77%	0.771	S	S	*	*			trans	66.8	148.7	164.3	-70.3	0	0	0	0	118.5
867	E	31.4	Very low	31	Very low	177 Å²	177	118.5 Å²	118.5	83%	0.827	76%	0.761	S	S	*	*			cis	-158.8	152.4	-5	-127.7	152.7	-113.4	0	0	113.1
868	G	28.6	Very low	31	Very low	81 Å²	81	123.2 Å²	123.2	84%	0.835	76%	0.764	S	S	*	*			trans	69.9	150.7	161.1	0	0	0	0	0	118.9
869	G	27.1	Very low	30.9	Very low	66 Å²	66	121 Å²	121	68%	0.68	76%	0.76	S	S	*	*			cis	179.1	128.6	-10.2	0	0	0	0	0	114.3
870	T	28	Very low	30.9	Very low	126 Å²	126	118.7 Å²	118.7	77%	0.773	76%	0.756	S	S	*	*			trans	47.6	122.3	144.5	56.9	0	0	0	0	124
871	N	27.1	Very low	30.9	Very low	145 Å²	145	121.4 Å²	121.4	78%	0.775	77%	0.765	S	S	*	*				77.8	125.4	122.7	-67.2	-2.6	0	0	0	125.1
872	V	26.4	Very low	30.6	Very low	129 Å²	129	118 Å²	118	78%	0.782	76%	0.76	S	S	*	*				85.7	148.1	126.4	173.8	0	0	0	0	121.4
873	F	28.7	Very low	30.7	Very low	192 Å²	192	120.6 Å²	120.6	84%	0.842	77%	0.768	S	S	*	*			trans	-59.1	-171.5	170.1	-73.9	-89.3	0	0	0	114.9
874	P	46.9	Very low	31.2	Very low	99 Å²	99	120.5 Å²	120.5	64%	0.643	77%	0.765	S	S	*	*			cis	-137	-169.6	-7.9	20	7.8	0	0	0	115.8
875	F	26.8	Very low	31	Very low	207 Å²	207	119.2 Å²	119.2	91%	0.908	76%	0.762	S	S	*	*			trans	71.5	159.9	154.8	-79.9	-70.7	0	0	0	120.9
876	G	24.9	Very low	30.9	Very low	65 Å²	65	118.9 Å²	118.9	67%	0.67	76%	0.76	S	S	*	*			trans	-104	-143.8	172.5	0	0	0	0	0	111.6
877	P	48.8	Very low	30.6	Very low	109 Å²	109	119.8 Å²	119.8	71%	0.708	77%	0.766	S	S	*	*			cis	-142.4	-165	6.7	30.7	-3.9	0	0	0	115.6
878	H	29.9	Very low	30.4	Very low	170 Å²	170	117.3 Å²	117.3	79%	0.787	76%	0.763	S	S	*	*			trans	76.6	118.6	151.6	-64.9	-45.2	0	0	0	124.8
879	S	29.2	Very low	30.3	Very low	97 Å²	97	117.6 Å²	117.6	68%	0.678	76%	0.758	S	S	*	*				70.3	139.4	124.6	69.7	0	0	0	0	125.1
880	S	28.6	Very low	30.3	Very low	110 Å²	110	123 Å²	123	77%	0.769	77%	0.765	S	S	*	*			trans	69.2	153.3	147.1	68	0	0	0	0	118.7
881	S	28.7	Very low	30.1	Very low	120 Å²	120	125.4 Å²	125.4	84%	0.839	77%	0.772	S	S	*	*			cis	-174.6	159.8	-19.9	50.3	0	0	0	0	110
882	G	25.5	Very low	30.1	Very low	80 Å²	80	126.4 Å²	126.4	83%	0.825	77%	0.772	S	S	*	*			trans	138.9	124.4	153.7	0	0	0	0	0	117.7
883	S	31.8	Very low	30.7	Very low	118 Å²	118	125.8 Å²	125.8	83%	0.825	77%	0.771	S	S	*	*			trans	-102.1	158.5	161.5	-47.3	0	0	0	0	109.5
884	P	42	Very low	30.6	Very low	113 Å²	113	123.9 Å²	123.9	73%	0.734	76%	0.764	S	S	*	*				-129.8	167.1	94.1	8.4	15.2	0	0	0	112
885	S	28.1	Very low	30.2	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	77%	0.77	S	S	*	*				66.1	142.6	53.2	118.5	0	0	0	0	113.2
886	S	29	Very low	30.1	Very low	92 Å²	92	121.4 Å²	121.4	64%	0.643	76%	0.757	S	S	*	*			cis	-174.2	153.3	0.8	35.4	0	0	0	0	111.9
887	S	26.1	Very low	30.1	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	76%	0.761	S	S	*	*			trans	67.1	169.3	150.4	-65.7	0	0	0	0	119.9
888	T	26.5	Very low	29	Very low	125 Å²	125	129.7 Å²	129.7	77%	0.767	76%	0.762	S	S	*	*			cis	-168.5	163.7	-35.2	-77.8	0	0	0	0	107.5
889	A	25.9	Very low	29	Very low	88 Å²	88	129.8 Å²	129.8	73%	0.727	76%	0.763	S	S	*	*			trans	82.6	156.9	166.1	0	0	0	0	0	117.9
890	Q	26.7	Very low	29.6	Very low	180 Å²	180	129.3 Å²	129.3	84%	0.841	76%	0.758	S	S	*	*			cis	162.8	132.3	-25.9	-167.9	178.4	14.5	0	0	105.2
891	L	25	Very low	29.4	Very low	175 Å²	175	132 Å²	132	92%	0.916	76%	0.756	S	S	*	*			trans	179.9	163.7	144.6	-100.7	162.3	0	0	0	112.8
892	H	27.1	Very low	29.2	Very low	167 Å²	167	136 Å²	136	77%	0.773	75%	0.753	S	S	*	*			trans	-98.1	177	178.8	-126.4	44.6	0	0	0	110.1
893	P	39.6	Very low	29.1	Very low	116 Å²	116	136.9 Å²	136.9	75%	0.753	75%	0.746	S	S	*	*			cis	-146.9	-172.5	35.9	40.6	-17.5	0	0	0	118.5
894	Q	25.9	Very low	28.7	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	73%	0.734	S	S	*	*			trans	-59.7	164.3	158.7	-94.3	-178.5	-17.2	0	0	112.5
895	P	38.7	Very low	27.8	Very low	119 Å²	119	136 Å²	136	77%	0.773	74%	0.737	S	S	*	*			cis	-141.8	-151.5	42	35.9	-11.6	0	0	0	114.3
896	Q	25	Very low	28.8	Very low	136 Å²	136	136.5 Å²	136.5	64%	0.636	74%	0.738	S	S	*	*				-167.6	173.4	-66.7	-168.1	175.5	-10.5	0	0	109.8
897	Y	25	Very low	30.2	Very low	192 Å²	192	137.3 Å²	137.3	75%	0.753	74%	0.741	S	S	*	*			trans	84.7	158.7	163.3	-91.2	-75.9	0	0	0	122
898	Q	24.4	Very low	30.1	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	75%	0.747	S	S	*	*			trans	-121.4	157.7	-160	-50.7	154.5	-79.7	0	0	112.7
899	Q	29.9	Very low	29.9	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	74%	0.738	S	S	*	*			trans	62.7	-177.7	145.8	-76.2	-80.3	-35.7	0	0	115.4
900	P	42.3	Very low	29.7	Very low	88 Å²	88	141 Å²	141	57%	0.571	74%	0.741	S	S	*	*			cis	-137.6	-167.9	7.9	32.1	-6.5	0	0	0	117.7
901	F	25.2	Very low	29.6	Very low	166 Å²	166	139.9 Å²	139.9	73%	0.728	74%	0.739	S	S	*	*			trans	80.3	148.9	164.2	-59.9	-55.8	0	0	0	118.5
902	R	22.7	Very low	29.6	Very low	205 Å²	205	139.5 Å²	139.5	77%	0.774	73%	0.731	S	S	*	*			cis	-150.5	138.7	-5.8	-125.7	158.3	-173.2	-158.1	1.2	106.9
903	S	23.5	Very low	29.6	Very low	97 Å²	97	138.6 Å²	138.6	68%	0.678	73%	0.726	S	S	*	*				56.5	140	72.1	135.1	0	0	0	0	114.7
904	S	23.6	Very low	28.9	Very low	84 Å²	84	140.8 Å²	140.8	59%	0.587	73%	0.726	S	S	*	*			cis	179.5	150.8	-9.1	44.8	0	0	0	0	113.6
905	T	24.4	Very low	29	Very low	128 Å²	128	137.6 Å²	137.6	79%	0.785	73%	0.726	S	S	*	*			trans	71.7	175	144.1	57.4	0	0	0	0	118.3
906	P	49	Very low	29.3	Very low	118 Å²	118	137.6 Å²	137.6	77%	0.766	73%	0.726	S	S	*	*				-128.1	-108.7	-100.6	25.3	3.5	0	0	0	118.4
907	P	57.7	Low	29.4	Very low	108 Å²	108	137.6 Å²	137.6	70%	0.701	74%	0.735	S	S	*	*				-122.9	166.7	-122.5	40.8	-24.6	0	0	0	116.2
908	L	23.7	Very low	29.4	Very low	176 Å²	176	132.1 Å²	132.1	92%	0.921	74%	0.737	S	S	*	*			trans	-172.7	-169.4	149.2	-109.2	165	0	0	0	113.2
909	S	21.9	Very low	29.5	Very low	83 Å²	83	128.7 Å²	128.7	58%	0.58	74%	0.743	S	S	*	*			trans	-119.4	159	-158.6	60.3	0	0	0	0	116.9
910	N	22.5	Very low	29.2	Very low	146 Å²	146	126 Å²	126	78%	0.781	74%	0.744	S	S	*	*			trans	77.6	160.4	145.7	-71.8	-15.2	0	0	0	121.9
911	L	24.1	Very low	28.4	Very low	156 Å²	156	129 Å²	129	82%	0.817	76%	0.76	S	S	*	*			trans	74.3	149.8	171.6	-82.1	65	0	0	0	119.1
912	F	25.2	Very low	28.4	Very low	167 Å²	167	124.1 Å²	124.1	73%	0.732	76%	0.757	S	S	*	*			cis	-169.6	174.8	-45.1	-135.6	-92.3	0	0	0	110.7
913	H	27.1	Very low	28.6	Very low	147 Å²	147	120.9 Å²	120.9	68%	0.681	77%	0.766	S	S	*	*			trans	73.7	145	165.8	-64.4	-52.8	0	0	0	117.9
914	Q	26	Very low	28.9	Very low	162 Å²	162	120 Å²	120	76%	0.757	77%	0.772	S	S	*	*			cis	-143.1	138.9	-9.8	-103.1	154.4	26.3	0	0	106.4
915	A	28	Very low	29.1	Very low	84 Å²	84	121.4 Å²	121.4	69%	0.694	78%	0.782	S	S	*	*			cis	73.2	162.2	49.6	0	0	0	0	0	113.7
916	P	43.9	Very low	29.6	Very low	120 Å²	120	120.5 Å²	120.5	78%	0.779	78%	0.778	S	S	*	*			cis	-104.3	-150.8	-6.8	16.9	8.8	0	0	0	110.2
917	V	26.3	Very low	28.4	Very low	135 Å²	135	122.5 Å²	122.5	82%	0.818	78%	0.782	S	S	*	*			cis	-151.3	150.2	8.4	-156.7	0	0	0	0	110.2
918	G	26.4	Very low	26.8	Very low	78 Å²	78	122 Å²	122	80%	0.804	78%	0.78	S	S	*	*			trans	60.9	123.3	141.3	0	0	0	0	0	121.4
919	G	25.3	Very low	26.8	Very low	82 Å²	82	119.2 Å²	119.2	85%	0.845	77%	0.771	S	S	*	*			cis	173.8	157.6	-3.8	0	0	0	0	0	112.5
920	S	24.1	Very low	27	Very low	117 Å²	117	120.2 Å²	120.2	82%	0.818	78%	0.778	S	S	*	*			trans	-147.3	108.8	-176.7	60	0	0	0	0	113.3
921	T	26.7	Very low	27.6	Very low	149 Å²	149	119.2 Å²	119.2	91%	0.914	78%	0.78	S	S	*	*			trans	-157.5	137.5	171.8	47.7	0	0	0	0	108.3
922	G	25.4	Very low	27.6	Very low	65 Å²	65	116.2 Å²	116.2	67%	0.67	77%	0.772	S	S	*	*			cis	174.5	-174.1	-3.2	0	0	0	0	0	111.3
923	S	26.4	Very low	27.7	Very low	137 Å²	137	115.1 Å²	115.1	96%	0.958	77%	0.773	S	S	*	*			trans	70.3	154.1	-178.6	80.3	0	0	0	0	116.9
924	G	29.1	Very low	27.6	Very low	78 Å²	78	114.9 Å²	114.9	80%	0.804	78%	0.776	S	S	*	*			trans	124.8	13.2	161.9	0	0	0	0	0	120.4
925	S	27.7	Very low	27.6	Very low	114 Å²	114	115.4 Å²	115.4	80%	0.797	78%	0.781	S	S	*	*			trans	-65.5	147.6	161.6	-51	0	0	0	0	109.6
926	P	35.1	Very low	27.4	Very low	109 Å²	109	115.9 Å²	115.9	71%	0.708	78%	0.779	S	S	*	*			cis	-145.4	171.5	42.1	44.4	-26	0	0	0	118
927	L	24.3	Very low	26.6	Very low	160 Å²	160	115 Å²	115	84%	0.838	78%	0.776	S	S	*	*			trans	32.3	153.7	135.5	-78.7	72.5	0	0	0	122.1
928	S	24	Very low	26.5	Very low	96 Å²	96	117.5 Å²	117.5	67%	0.671	78%	0.779	S	S	*	*			cis	-165.6	176.8	-8.2	51.9	0	0	0	0	111.8
929	T	23	Very low	26.5	Very low	118 Å²	118	121.6 Å²	121.6	72%	0.724	78%	0.78	S	S	*	*			trans	-56.5	-177.8	154.1	53.6	0	0	0	0	113.7
930	S	26.4	Very low	26.6	Very low	105 Å²	105	125.1 Å²	125.1	73%	0.734	78%	0.779	S	S	*	*			trans	87	166.5	159.9	-44.6	0	0	0	0	114.7
931	P	34.6	Very low	27.8	Very low	124 Å²	124	124 Å²	124	81%	0.805	77%	0.769	S	S	*	*			cis	-133.5	178.1	4.5	42.9	-27	0	0	0	116.4
932	S	25	Very low	27.7	Very low	94 Å²	94	124.5 Å²	124.5	66%	0.657	77%	0.766	S	S	*	*			trans	-95.7	149.8	157	54.6	0	0	0	0	111.6
933	N	26.2	Very low	27.9	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	77%	0.766	S	S	*	*			trans	79.7	134.1	154.9	-64.4	-12.8	0	0	0	122.3
934	L	25.8	Very low	28.8	Very low	142 Å²	142	126.9 Å²	126.9	74%	0.743	76%	0.755	S	S	*	*			trans	75.4	119.9	137.8	-77.5	164.2	0	0	0	122.7
935	M	24.9	Very low	28.9	Very low	174 Å²	174	130.1 Å²	130.1	86%	0.857	75%	0.748	S	S	*	*			trans	59.2	129.5	138.5	-88.1	177.3	164.9	0	0	119.2
936	S	25.2	Very low	30.3	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	74%	0.742	S	S	*	*			cis	-163.2	169	27	-87.7	0	0	0	0	114.5
937	S	26.5	Very low	29.9	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	75%	0.747	S	S	*	*			trans	68	110.4	145.9	48.6	0	0	0	0	123.1
938	Q	25.5	Very low	30.1	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.874	74%	0.74	S	S	*	*			trans	90.6	153.6	130.9	-68	-172.3	2	0	0	123
939	I	26.2	Very low	30.3	Very low	163 Å²	163	133.6 Å²	133.6	84%	0.836	75%	0.749	S	S	*	*			trans	93.3	126.7	166	-51.7	-170.5	0	0	0	117.8
940	L	27.2	Very low	30.5	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	75%	0.749	S	S	*	*			trans	-99.6	-169.8	179.3	-129.8	72.6	0	0	0	109.2
941	P	48.2	Very low	30.7	Very low	92 Å²	92	137.3 Å²	137.3	60%	0.597	75%	0.746	S	S	*	*			cis	-126.1	172.3	-33.2	34.6	-18.7	0	0	0	112.8
942	N	25.6	Very low	30.3	Very low	160 Å²	160	140.3 Å²	140.3	86%	0.856	75%	0.747	S	S	*	*				166.3	159.9	109	-101.1	-29.7	0	0	0	117.3
943	Q	28.1	Very low	30.4	Very low	141 Å²	141	140.7 Å²	140.7	66%	0.659	76%	0.756	S	S	*	*			trans	-94.1	-165.6	173.3	-112.8	-166.9	18	0	0	111	H945	Q943-H945 PolarHBondContact NE2-CD2 2.91Å; Q943-H945 PolarHBondContact NE2-NE2 3.35Å; Q943-H945 PolarHBondContact OE1-CD2 3.5Å
944	P	47.2	Very low	30.4	Very low	112 Å²	112	137.6 Å²	137.6	73%	0.727	76%	0.758	S	S	*	*			cis	-138.1	156.7	9.7	23.8	2.8	0	0	0	119.7
945	H	30.7	Very low	30.4	Very low	145 Å²	145	135.1 Å²	135.1	67%	0.671	77%	0.766	S	S	*	*				21.7	174.1	114.5	-82.2	-40.4	0	0	0	123.8	Q943	Q943-H945 PolarHBondContact NE2-CD2 2.91Å; Q943-H945 PolarHBondContact NE2-NE2 3.35Å; Q943-H945 PolarHBondContact OE1-CD2 3.5Å
946	P	55.7	Low	30.5	Very low	102 Å²	102	130.6 Å²	130.6	66%	0.662	77%	0.765	S	S	*	*			cis	-144.2	-169.8	-22.5	34.3	-12.1	0	0	0	116.2
947	K	28	Very low	30.8	Very low	187 Å²	187	137.7 Å²	137.7	81%	0.813	78%	0.777	S	S	*	*			trans	130.3	129.3	147.4	-71.6	179.6	-179.9	179.2	0	113.3
948	S	29.1	Very low	30.9	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	78%	0.777	S	S	*	*			cis	87.3	143	35	81	0	0	0	0	114
949	L	26.8	Very low	31	Very low	165 Å²	165	135.1 Å²	135.1	86%	0.864	77%	0.77	S	S	*	*			cis	-133.7	-129.1	26.8	-160.2	87.1	0	0	0	114.7
950	Q	28.3	Very low	31.1	Very low	157 Å²	157	132.9 Å²	132.9	73%	0.734	77%	0.769	S	S	*	*			trans	-162.5	165.5	-157.5	-174.8	-179.6	0	0	0	111.4
951	Q	30	Very low	31.2	Very low	145 Å²	145	128.4 Å²	128.4	68%	0.678	76%	0.76	S	S	*	*			trans	94.9	146.1	145.5	-118.5	176.5	11.4	0	0	124
952	F	26.3	Very low	30.3	Very low	187 Å²	187	131 Å²	131	82%	0.82	77%	0.768	S	S	*	*			trans	74.3	161	157	-80.9	-61.9	0	0	0	123.5
953	A	26.5	Very low	30.3	Very low	101 Å²	101	130 Å²	130	84%	0.835	76%	0.762	S	S	*	*			trans	-134	170.2	-148.1	0	0	0	0	0	113.6
954	G	26	Very low	30.3	Very low	79 Å²	79	129.9 Å²	129.9	81%	0.814	77%	0.766	S	S	*	*			trans	172.1	86.7	168.4	0	0	0	0	0	119
955	G	26.7	Very low	29.9	Very low	89 Å²	89	133.7 Å²	133.7	92%	0.918	77%	0.771	S	S	*	*			trans	73.9	145.9	142.9	0	0	0	0	0	121.6
956	G	27.7	Very low	29.4	Very low	80 Å²	80	136.1 Å²	136.1	83%	0.825	78%	0.783	S	S	*	*			trans	128.1	101.6	153.7	0	0	0	0	0	117.7
957	R	31.4	Very low	28.5	Very low	242 Å²	242	136.8 Å²	136.8	91%	0.913	79%	0.79	S	S	*	*			trans	-47.1	159	167.2	-73.1	171.3	166.5	165.5	-6.4	113.9
958	T	28.4	Very low	28.7	Very low	116 Å²	116	133.4 Å²	133.4	71%	0.712	79%	0.787	S	S	*	*			cis	-161	163.6	37.5	-21.4	0	0	0	0	114.1
959	T	27.8	Very low	28.5	Very low	119 Å²	119	133.4 Å²	133.4	73%	0.73	79%	0.787	S	S	*	*			trans	59.2	121.6	154.2	45.7	0	0	0	0	121.2
960	S	28.5	Very low	28.5	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	79%	0.791	S	S	*	*			trans	41.2	112	150.9	56.1	0	0	0	0	118.3
961	G	28.3	Very low	28.3	Very low	62 Å²	62	130.8 Å²	130.8	64%	0.639	79%	0.788	S	S	*	*			cis	107.9	69	28.6	0	0	0	0	0	109.3
962	I	28.8	Very low	28.3	Very low	148 Å²	148	129.8 Å²	129.8	76%	0.759	80%	0.797	S	S	*	*				71	109	81.7	-64.5	168.5	0	0	0	109.6
963	N	27	Very low	29.3	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	79%	0.794	S	S	*	*				65.4	154.9	63.2	-62.8	-23.1	0	0	0	111.9
964	L	27.5	Very low	29.2	Very low	140 Å²	140	127.2 Å²	127.2	73%	0.733	79%	0.793	S	S	*	*			cis	-151.5	-175.8	-16.4	-145.3	73.6	0	0	0	108
965	F	37.7	Very low	29	Very low	192 Å²	192	129 Å²	129	84%	0.842	79%	0.793	S	S	*	*			trans	-36	142	148	-77.8	-111.8	0	0	0	113.8
966	Q	21.6	Very low	29	Very low	195 Å²	195	130.6 Å²	130.6	91%	0.911	78%	0.784	S	S	*	*			trans	-163.3	144.2	134.9	-115.7	167.9	15.4	0	0	114
967	S	37	Very low	29	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	78%	0.784	S	S	*	*			trans	-113	125.8	174.4	55	0	0	0	0	111.5
968	P	32.3	Very low	28.8	Very low	116 Å²	116	129.3 Å²	129.3	75%	0.753	78%	0.777	S	S	*	*			trans	-136.4	173.8	159.6	38.4	-24.3	0	0	0	113.6
969	S	24.3	Very low	28.7	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	78%	0.776	S	S	*	*				-172.7	127.6	-64.1	48.5	0	0	0	0	111.1
970	Q	26.4	Very low	28.6	Very low	201 Å²	201	132.4 Å²	132.4	94%	0.939	78%	0.775	S	S	*	*			trans	65.4	163.9	171.2	-54.9	171.2	-9.2	0	0	115.3
971	G	23.7	Very low	28.5	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	77%	0.769	S	S	*	*			cis	151.9	107.6	-17.7	0	0	0	0	0	115.8
972	S	30.7	Very low	28.4	Very low	124 Å²	124	138.2 Å²	138.2	87%	0.867	78%	0.781	S	S	*	*			trans	62.3	-175.5	166	-51.5	0	0	0	0	115.6
973	P	46.9	Very low	28.2	Very low	118 Å²	118	136.3 Å²	136.3	77%	0.766	78%	0.781	S	S	*	*			cis	-123	-166.3	-14.9	42	-25.2	0	0	0	112.7
974	S	24.2	Very low	28.7	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	78%	0.782	S	S	*	*				175.5	173	95.2	49.9	0	0	0	0	111.8
975	C	22.8	Very low	28.8	Very low	118 Å²	118	132.9 Å²	132.9	80%	0.797	78%	0.782	S	S	*	*			trans	-161.1	152.5	-159.7	-154	0	0	0	0	116.2
976	V	26.3	Very low	28.4	Very low	121 Å²	121	130.6 Å²	130.6	73%	0.733	78%	0.784	S	S	*	*			trans	83.6	147	146.5	146.3	0	0	0	0	123.6
977	R	27.8	Very low	28.7	Very low	220 Å²	220	124.7 Å²	124.7	83%	0.83	78%	0.775	S	S	*	*			trans	86.7	139.7	165.9	-94.9	167.6	179.3	144	4.2	118.7
978	G	26.2	Very low	28.3	Very low	75 Å²	75	125 Å²	125	77%	0.773	78%	0.777	S	S	*	*			cis	178	-178.6	-1.8	0	0	0	0	0	111.8
979	Q	27.8	Very low	28.9	Very low	145 Å²	145	125 Å²	125	68%	0.678	78%	0.778	S	S	*	*			cis	-156.3	-53.1	-4.3	-160.9	173	-92.8	0	0	116.6
980	Q	25.6	Very low	29.9	Very low	155 Å²	155	125.3 Å²	125.3	72%	0.724	78%	0.777	S	S	*	*			trans	-145.6	170.1	-173.4	-67.9	157.1	-79.3	0	0	109.5
981	T	24.7	Very low	29.9	Very low	112 Å²	112	121.1 Å²	121.1	69%	0.687	77%	0.77	S	S	*	*			cis	-165.3	161.2	25.3	-25.9	0	0	0	0	112.7
982	Q	26.5	Very low	30.1	Very low	189 Å²	189	124.8 Å²	124.8	88%	0.883	77%	0.773	S	S	*	*			trans	71.8	165.9	150.6	-87.3	163.7	9	0	0	122
983	S	25.7	Very low	29.8	Very low	108 Å²	108	123.5 Å²	123.5	76%	0.755	76%	0.763	S	S	*	*			trans	-139.2	167.7	-165.2	58.7	0	0	0	0	111.4
984	P	37.2	Very low	28.8	Very low	118 Å²	118	127 Å²	127	77%	0.766	77%	0.769	S	S	*	*				-156.5	161.8	104.1	40.1	-22.6	0	0	0	118.4
985	A	28.9	Very low	28.9	Very low	87 Å²	87	130.8 Å²	130.8	72%	0.719	77%	0.771	S	S	*	*			trans	61.6	148.8	138.2	0	0	0	0	0	121.9
986	T	28.9	Very low	29	Very low	145 Å²	145	130 Å²	130	89%	0.89	77%	0.767	S	S	*	*			cis	-163.3	152.8	-5.6	9.7	0	0	0	0	113.8
987	G	28.7	Very low	29	Very low	71 Å²	71	132.5 Å²	132.5	73%	0.732	78%	0.775	S	S	*	*			trans	96.2	139.4	151.1	0	0	0	0	0	117.6
988	S	28.3	Very low	29	Very low	123 Å²	123	126.8 Å²	126.8	86%	0.86	78%	0.776	S	S	*	*			cis	-154	166.3	-1.2	-78.3	0	0	0	0	112.5
989	P	45.1	Very low	28.9	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	78%	0.775	S	S	*	*			trans	-121	-148.5	-162.3	46.8	-33.2	0	0	0	112.4
990	P	46.4	Very low	28.9	Very low	103 Å²	103	128.2 Å²	128.2	67%	0.669	79%	0.787	S	S	*	*			cis	-139.4	170.2	-14	41.1	-23.3	0	0	0	117.6
991	S	26.6	Very low	28.9	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	79%	0.794	S	S	*	*			trans	160.3	129.2	137	44.8	0	0	0	0	110.3
992	I	26.8	Very low	29	Very low	143 Å²	143	130.4 Å²	130.4	73%	0.733	80%	0.803	S	S	*	*			cis	76.8	83	40.2	-56.1	174.8	0	0	0	110.7
993	S	25.1	Very low	28.9	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	80%	0.795	S	S	*	*				77.6	130.9	66.4	78	0	0	0	0	115.3
994	H	25.8	Very low	28.9	Very low	192 Å²	192	125.5 Å²	125.5	89%	0.889	80%	0.799	S	S	*	*			trans	-162	-176.1	149.9	-110.2	-65.7	0	0	0	113.2
995	F	26.1	Very low	28.4	Very low	195 Å²	195	127.7 Å²	127.7	86%	0.855	80%	0.804	S	S	*	*			trans	-139.1	171	-148.4	-122.2	-96.6	0	0	0	113.9
996	S	24.4	Very low	28.5	Very low	102 Å²	102	129 Å²	129	71%	0.713	81%	0.805	S	S	*	*			trans	73.8	98.3	152.9	-61.1	0	0	0	0	122.2
997	L	26.1	Very low	28.4	Very low	173 Å²	173	131.9 Å²	131.9	91%	0.906	81%	0.808	S	S	*	*				35.4	137.2	115.7	-144.7	78.5	0	0	0	123.2
998	A	27.4	Very low	28.4	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	82%	0.816	S	S	*	*			trans	91.1	124.8	148.1	0	0	0	0	0	121
999	G	25.8	Very low	28.2	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	82%	0.818	S	S	*	*			trans	163.5	85.1	163.8	0	0	0	0	0	119.5
1000	L	27.8	Very low	27	Very low	176 Å²	176	140.5 Å²	140.5	92%	0.921	82%	0.82	S	S	*	*			trans	71.8	157.6	153.1	-66.6	166	0	0	0	122.2
1001	Q	23.9	Very low	25.9	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	83%	0.831	S	S	*	*			trans	60.6	120	-173.5	-59.9	-170.5	3	0	0	115.4
1002	S	28.1	Very low	25.7	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	84%	0.837	S	S	*	*			cis	84.8	79.6	18.9	-160.8	0	0	0	0	117.4
1003	G	24.6	Very low	25.6	Very low	71 Å²	71	150.5 Å²	150.5	73%	0.732	84%	0.841	S	S	*	*			trans	98.2	97.2	134.5	0	0	0	0	0	119.8
1004	C	25.1	Very low	25.6	Very low	123 Å²	123	151.6 Å²	151.6	83%	0.831	85%	0.849	S	S	*	*				-170.6	143.1	121.5	-101.3	0	0	0	0	114.7
1005	L	26.2	Very low	25.5	Very low	164 Å²	164	147.2 Å²	147.2	86%	0.859	85%	0.846	S	S	*	*			trans	53.1	121.7	151.5	-61.9	171.9	0	0	0	121.1
1006	P	32.5	Very low	25.4	Very low	115 Å²	115	146.6 Å²	146.6	75%	0.747	85%	0.851	S	S	*	*			trans	-98.1	150.1	171.7	37.6	-32.7	0	0	0	114
1007	H	26.7	Very low	25.4	Very low	205 Å²	205	146 Å²	146	95%	0.949	85%	0.853	S	S	*	*			trans	-141.4	115.1	160.6	-109.6	27.6	0	0	0	109.9
1008	Q	27.1	Very low	25.3	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	85%	0.848	S	S	*	*			trans	-135.5	126.3	176.9	-174	172.8	1.8	0	0	109.2
1009	M	23.9	Very low	25.3	Very low	184 Å²	184	147.5 Å²	147.5	91%	0.906	86%	0.855	S	S	*	*			trans	-93.1	133.2	179	-69.7	178.7	163.6	0	0	111.7
1010	S	20.6	Very low	25.2	Very low	113 Å²	113	148.2 Å²	148.2	79%	0.79	85%	0.854	S	S	*	*				172.2	156.2	116.1	57.3	0	0	0	0	111.9
1011	M	22.6	Very low	25.1	Very low	184 Å²	184	148.6 Å²	148.6	91%	0.906	85%	0.851	S	S	*	*			trans	61	133.4	178.7	-68.3	-171.4	164.8	0	0	115.2
1012	E	22.7	Very low	25.1	Very low	194 Å²	194	150.7 Å²	150.7	91%	0.907	85%	0.853	S	S	*	*			cis	-146.5	-162.1	46.2	-86.4	-158.7	110.2	0	0	113.7
1013	K	24.4	Very low	25	Very low	191 Å²	191	148 Å²	148	83%	0.83	84%	0.844	S	S	*	*			trans	-115	155.3	-179.1	-65.6	178.1	178.1	175.4	0	112.5
1014	S	25.2	Very low	25	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	85%	0.851	S	S	*	*			trans	57.5	98.3	146.7	-59.7	0	0	0	0	120
1015	A	23.8	Very low	24.9	Very low	101 Å²	101	149.1 Å²	149.1	84%	0.835	85%	0.848	S	S	*	*			trans	-153.8	108.1	141.3	0	0	0	0	0	111
1016	L	24.8	Very low	24.9	Very low	182 Å²	182	149 Å²	149	95%	0.953	85%	0.849	S	S	*	*			trans	-153.8	88.9	162	-121.1	175.8	0	0	0	110.7
1017	A	24	Very low	24.6	Very low	90 Å²	90	148.1 Å²	148.1	74%	0.744	85%	0.851	S	S	*	*			trans	-144.7	158.3	169.6	0	0	0	0	0	108.2
1018	S	24	Very low	24.6	Very low	117 Å²	117	143.8 Å²	143.8	82%	0.818	84%	0.844	S	S	*	*			trans	70.2	82.8	178	-54.1	0	0	0	0	116.8
1019	L	27.1	Very low	24.9	Very low	187 Å²	187	139.9 Å²	139.9	98%	0.979	84%	0.835	S	S	*	*			trans	-141.7	96.9	130.3	-147	88.5	0	0	0	110
1020	A	25	Very low	24.9	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	83%	0.83	S	S	*	*			trans	-155.2	96.7	178.3	0	0	0	0	0	111.2
1021	Q	24.2	Very low	25.1	Very low	183 Å²	183	137.8 Å²	137.8	86%	0.855	83%	0.826	S	S	*	*			trans	-173.3	162.1	154.4	-107.6	163.9	29.5	0	0	110.9
1022	Y	25.3	Very low	25.2	Very low	232 Å²	232	135.5 Å²	135.5	91%	0.91	82%	0.823	S	S	*	*			trans	66.8	133.2	-170.8	-64	-89	0	0	0	116.2
1023	G	24.6	Very low	25.4	Very low	67 Å²	67	132 Å²	132	69%	0.691	82%	0.816	S	S	*	*			cis	164.9	112.6	-13.3	0	0	0	0	0	116.1
1024	S	24.5	Very low	25.4	Very low	124 Å²	124	129.5 Å²	129.5	87%	0.867	82%	0.817	S	S	*	*			trans	53.7	119.8	152.2	-163.5	0	0	0	0	121.2
1025	A	24.6	Very low	25.3	Very low	95 Å²	95	128.4 Å²	128.4	79%	0.785	82%	0.815	S	S	*	*				-165.9	152.7	128.1	0	0	0	0	0	113.1
1026	N	25.8	Very low	25.3	Very low	162 Å²	162	134.9 Å²	134.9	87%	0.866	82%	0.818	S	S	*	*			trans	-42.5	160.5	177.2	-47.8	-37.1	0	0	0	116
1027	A	25.8	Very low	25.5	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	81%	0.809	S	S	*	*			cis	-158.4	160.9	26	0	0	0	0	0	114.1
1028	S	25.7	Very low	26	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	81%	0.809	S	S	*	*			trans	-92.2	169	162.8	-47.6	0	0	0	0	110.9
1029	P	33.4	Very low	25.9	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	80%	0.804	S	S	*	*				-153.2	152.6	95	38.3	-20.8	0	0	0	117.6
1030	C	24.4	Very low	25.9	Very low	117 Å²	117	129 Å²	129	79%	0.791	79%	0.789	S	S	*	*			trans	67.3	160.7	143	-70.4	0	0	0	0	119.3
1031	L	25.3	Very low	25.8	Very low	137 Å²	137	133.6 Å²	133.6	72%	0.717	80%	0.796	S	S	*	*			cis	-152.2	139.3	-5.3	-128.8	161.8	0	0	0	110.7	P1033	L1031-P1033 HydrophobicContact CD2-CB 4.32Å
1032	T	24.5	Very low	25.9	Very low	136 Å²	136	129.5 Å²	129.5	83%	0.834	79%	0.787	S	S	*	*			trans	-128	115.6	154.3	35.7	0	0	0	0	108.9
1033	P	27	Very low	26.8	Very low	119 Å²	119	124.3 Å²	124.3	77%	0.773	78%	0.782	S	S	*	*			trans	-85.9	170.4	-174.2	33.1	-35.1	0	0	0	114.1	L1031	L1031-P1033 HydrophobicContact CD2-CB 4.32Å
1034	V	23.5	Very low	26.9	Very low	140 Å²	140	127.6 Å²	127.6	85%	0.848	79%	0.788	S	S	*	*			trans	-129	136.7	-167.9	172.6	0	0	0	0	111.5
1035	A	24.4	Very low	27.1	Very low	95 Å²	95	125.4 Å²	125.4	79%	0.785	79%	0.785	S	S	*	*			trans	176.6	164.4	156.6	0	0	0	0	0	111.7
1036	R	22.6	Very low	27.1	Very low	238 Å²	238	124.3 Å²	124.3	90%	0.898	78%	0.783	S	S	*	*			cis	-168.3	157.1	-48	-119.6	180	-178.3	-179.2	1.5	108.3
1037	S	29.7	Very low	27.1	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	79%	0.785	S	S	*	*			trans	-77	167.7	177.9	-44.4	0	0	0	0	113.6
1038	P	33.8	Very low	27.1	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	78%	0.777	S	S	*	*				-132.2	-151.8	92.5	25.5	-3.1	0	0	0	111.4
1039	T	23.6	Very low	27	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	78%	0.778	S	S	*	*			cis	-161.6	139.1	12.4	-22.1	0	0	0	0	113.7
1040	V	25.7	Very low	26.6	Very low	111 Å²	111	134.6 Å²	134.6	67%	0.673	78%	0.781	S	S	*	*			trans	51	107.1	139.9	173.1	0	0	0	0	122.7
1041	Q	23.9	Very low	26.6	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	78%	0.784	S	S	*	*				61.4	159.7	122	-58.9	176.8	-30.9	0	0	124.6
1042	S	27	Very low	26.6	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	79%	0.785	S	S	*	*			trans	-102.9	165.5	177.9	173.7	0	0	0	0	111.5
1043	P	42.9	Very low	26.6	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	78%	0.784	S	S	*	*				-137.8	-179.9	112.4	18.6	2.6	0	0	0	113.1
1044	V	27.8	Very low	27.3	Very low	137 Å²	137	138 Å²	138	83%	0.83	78%	0.78	S	S	*	*			cis	-176.1	143.4	-49.3	133.9	0	0	0	0	108.5
1045	G	27.2	Very low	27.5	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	77%	0.771	S	S	*	*			trans	91.4	139.8	162.8	0	0	0	0	0	117
1046	G	25.4	Very low	27.6	Very low	71 Å²	71	136 Å²	136	73%	0.732	77%	0.766	S	S	*	*			cis	167.7	173.5	-8.5	0	0	0	0	0	113.3
1047	R	26.6	Very low	27.9	Very low	243 Å²	243	132.8 Å²	132.8	92%	0.917	77%	0.765	S	S	*	*			trans	68.5	146.6	172.5	-68.5	-177	176.3	172.2	-1.3	116.8
1048	T	25.5	Very low	27.8	Very low	101 Å²	101	132.1 Å²	132.1	62%	0.62	77%	0.766	S	S	*	*			cis	-167.1	149.3	-19.2	14.5	0	0	0	0	110.4
1049	F	23.7	Very low	27.4	Very low	185 Å²	185	129.9 Å²	129.9	81%	0.811	76%	0.764	S	S	*	*			trans	61.3	164.3	160.9	-63.9	-59	0	0	0	116.9
1050	Q	23.4	Very low	27.6	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	76%	0.764	S	S	*	*			cis	-149.2	173.9	2.2	-140.2	158.9	-5.2	0	0	112.2
1051	Y	24.6	Very low	27.8	Very low	219 Å²	219	132.6 Å²	132.6	86%	0.859	77%	0.772	S	S	*	*			trans	-34.5	161.7	161	-96.5	-117.3	0	0	0	116.2
1052	S	25.3	Very low	28	Very low	104 Å²	104	128.9 Å²	128.9	73%	0.727	77%	0.767	S	S	*	*			cis	-159	163.5	27.6	-35.9	0	0	0	0	114.6
1053	D	24.7	Very low	28	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	77%	0.766	S	S	*	*			trans	-71.4	172.9	145.2	-93	-52.4	0	0	0	110.7
1054	P	42.6	Very low	27.2	Very low	108 Å²	108	129.9 Å²	129.9	70%	0.701	77%	0.765	S	S	*	*			cis	-156.9	-179.6	34.9	46.9	-25	0	0	0	120.1
1055	S	26.4	Very low	27.1	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	76%	0.762	S	S	*	*			trans	31.1	129.6	137.5	73.9	0	0	0	0	124
1056	S	27	Very low	27.2	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	76%	0.763	S	S	*	*			trans	43.2	135.5	131.2	69.2	0	0	0	0	123
1057	I	28.3	Very low	28.3	Very low	171 Å²	171	135.9 Å²	135.9	88%	0.877	76%	0.758	S	S	*	*				-170.7	162.2	119.8	-101	157.9	0	0	0	110.3
1058	A	28.1	Very low	28.2	Very low	97 Å²	97	132.9 Å²	132.9	80%	0.802	75%	0.754	S	S	*	*			trans	-87.1	157.8	177.8	0	0	0	0	0	112.8
1059	G	26.4	Very low	28.5	Very low	67 Å²	67	132.8 Å²	132.8	69%	0.691	76%	0.757	S	S	*	*			trans	176.8	95.9	174.9	0	0	0	0	0	117.4
1060	S	28	Very low	29.9	Very low	102 Å²	102	129 Å²	129	71%	0.713	75%	0.751	S	S	*	*			trans	25	122.5	134.2	53.4	0	0	0	0	122.6
1061	H	29.2	Very low	30	Very low	181 Å²	181	128.2 Å²	128.2	84%	0.838	75%	0.752	S	S	*	*			trans	55.5	129.3	131.4	-62.1	-73.4	0	0	0	123.2
1062	S	27.2	Very low	30.2	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	75%	0.745	S	S	*	*			trans	67.8	161.9	146.5	-82.3	0	0	0	0	119.1
1063	S	27.2	Very low	30.3	Very low	93 Å²	93	123.9 Å²	123.9	65%	0.65	74%	0.742	S	S	*	*			cis	-170.7	150.7	-28.1	-96	0	0	0	0	109.8
1064	L	26.8	Very low	30.6	Very low	149 Å²	149	124.6 Å²	124.6	78%	0.78	74%	0.741	S	S	*	*			trans	66.3	137.9	150.2	-70.9	165.2	0	0	0	122
1065	L	25.4	Very low	30	Very low	149 Å²	149	126.5 Å²	126.5	78%	0.78	74%	0.744	S	S	*	*			trans	65.3	133.6	149	-59.5	162.7	0	0	0	118.2
1066	M	28.6	Very low	31.2	Very low	168 Å²	168	126.8 Å²	126.8	83%	0.828	74%	0.744	S	S	*	*			cis	66	146.2	38.7	-66.5	-73.2	-179.1	0	0	115.1
1067	P	49	Very low	31.4	Very low	94 Å²	94	126.9 Å²	126.9	61%	0.61	74%	0.744	S	S	*	*			cis	-140.8	-171.7	-27.5	41.2	-23.4	0	0	0	114.2
1068	Q	25.6	Very low	31.6	Very low	181 Å²	181	126.4 Å²	126.4	85%	0.846	74%	0.743	S	S	*	*			trans	66.9	160.4	163.2	-62.9	180	24.4	0	0	116.8
1069	S	30.2	Very low	33	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	73%	0.734	S	S	*	*			cis	-160.7	-142.2	-13.5	45.9	0	0	0	0	109.8
1070	P	53.7	Low	33.1	Very low	106 Å²	106	131.8 Å²	131.8	69%	0.688	74%	0.742	S	S	*	*				-118	-153.7	-93.8	36.4	-16.5	0	0	0	116.1
1071	L	26.3	Very low	33.2	Very low	155 Å²	155	131.5 Å²	131.5	81%	0.812	74%	0.74	S	S	*	*			trans	88.4	153.7	179	-73.4	96.3	0	0	0	118.1
1072	L	27.5	Very low	33.1	Very low	136 Å²	136	128.6 Å²	128.6	71%	0.712	74%	0.74	S	S	*	*			cis	-167.7	173.4	-36.7	-153.5	113.5	0	0	0	111
1073	S	27.7	Very low	33	Very low	95 Å²	95	127.2 Å²	127.2	66%	0.664	74%	0.743	S	S	*	*			trans	69.8	123.8	175.5	62.5	0	0	0	0	117
1074	Q	32.3	Very low	33.1	Very low	167 Å²	167	133.2 Å²	133.2	78%	0.78	75%	0.751	S	S	*	*			cis	82.3	144.2	47.2	-69	171.2	-27.7	0	0	112.9
1075	L	28.8	Very low	33.2	Very low	147 Å²	147	132.2 Å²	132.2	77%	0.77	75%	0.747	S	S	*	*			cis	-148.6	-155.5	10.7	-144.6	61.4	0	0	0	106.6
1076	P	51.1	Low	33.4	Very low	99 Å²	99	130.6 Å²	130.6	64%	0.643	75%	0.748	S	S	*	*			cis	-137.5	177	-22.4	39.6	-20	0	0	0	117.4
1077	S	31.5	Very low	33.9	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	75%	0.747	S	S	*	*			trans	63	139.4	146.4	56.4	0	0	0	0	123.6
1078	L	32.6	Very low	32.9	Very low	162 Å²	162	132 Å²	132	85%	0.848	76%	0.76	S	S	*	*			cis	-178	179.2	-17.4	-129.2	76.3	0	0	0	107.1
1079	P	58.6	Low	32.9	Very low	95 Å²	95	127.8 Å²	127.8	62%	0.617	76%	0.756	S	S	*	*			cis	-135.2	-175.1	-31.7	42.8	-26.7	0	0	0	116
1080	Q	27.8	Very low	33.4	Very low	181 Å²	181	128.5 Å²	128.5	85%	0.846	76%	0.758	S	S	*	*			trans	73	141.1	156.8	-73.7	173.7	3.4	0	0	120
1081	S	29.3	Very low	31.9	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	77%	0.766	S	S	*	*			cis	179.1	156.4	-18.6	44.8	0	0	0	0	110.9
1082	S	28.2	Very low	31.9	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	76%	0.755	S	S	*	*			cis	178.7	124.7	-36.6	49.7	0	0	0	0	112
1083	G	25	Very low	31.9	Very low	81 Å²	81	130.9 Å²	130.9	84%	0.835	76%	0.758	S	S	*	*			trans	107.1	166	166.6	0	0	0	0	0	117
1084	R	29.9	Very low	32	Very low	219 Å²	219	132.7 Å²	132.7	83%	0.826	76%	0.761	S	S	*	*			cis	-166.9	151.3	-16	-150	-168.6	150.9	147.4	-2.8	112.1
1085	D	27.4	Very low	31.9	Very low	128 Å²	128	130.3 Å²	130.3	68%	0.684	75%	0.753	S	S	*	*			trans	61.9	157.3	161.4	-57.7	-28.5	0	0	0	121.2
1086	S	30.5	Very low	32	Very low	114 Å²	114	132 Å²	132	80%	0.797	75%	0.754	S	S	*	*			trans	-106.1	169.4	-177.6	-47.4	0	0	0	0	112.8
1087	P	39	Very low	31.4	Very low	125 Å²	125	130.5 Å²	130.5	81%	0.812	76%	0.757	S	S	*	*				-141.8	-172.1	122.1	39.9	-27.5	0	0	0	114.5
1088	L	27.1	Very low	31.2	Very low	168 Å²	168	134.3 Å²	134.3	88%	0.88	77%	0.768	S	S	*	*			trans	-90.2	177.9	176.3	-68.8	103.2	0	0	0	113.3
1089	A	26	Very low	30.9	Very low	92 Å²	92	131 Å²	131	76%	0.76	76%	0.758	S	S	*	*			trans	-33.8	162	167.4	0	0	0	0	0	116.6
1090	P	41.7	Very low	29.5	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	76%	0.764	S	S	*	*			cis	-153.3	-167.8	38	45.4	-23.4	0	0	0	118.6
1091	F	22.7	Very low	29.6	Very low	197 Å²	197	128.5 Å²	128.5	86%	0.864	76%	0.763	S	S	*	*			trans	33.8	140.9	145.3	-94.8	-93.5	0	0	0	124.2
1092	S	24.5	Very low	29.6	Very low	82 Å²	82	132.5 Å²	132.5	57%	0.573	77%	0.771	S	S	*	*			trans	57.7	124.3	146.6	-84.9	0	0	0	0	123.6
1093	E	29	Very low	30.9	Very low	167 Å²	167	132.2 Å²	132.2	78%	0.78	77%	0.766	S	S	*	*				64.3	144.4	124.5	-67.8	162	121.7	0	0	123.9
1094	D	28.7	Very low	31	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	77%	0.767	S	S	*	*			trans	86.6	107.1	140.8	-89	10.1	0	0	0	124.7
1095	L	31	Very low	31.2	Very low	118 Å²	118	131.5 Å²	131.5	62%	0.618	77%	0.768	S	S	*	*				90.9	132.5	120.3	-76.9	171.5	0	0	0	122.4
1096	K	31.1	Very low	32.6	Very low	182 Å²	182	130.2 Å²	130.2	79%	0.791	77%	0.767	S	S	*	*			trans	69.7	131.6	154.2	-65.8	154.6	-175.6	164.3	0	116.6
1097	G	38	Very low	32.5	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	76%	0.764	S	S	*	*			cis	100.6	129.7	-5.1	0	0	0	0	0	115.3
1098	L	27.1	Very low	32.1	Very low	179 Å²	179	133.4 Å²	133.4	94%	0.937	76%	0.758	S	S	*	*			trans	-150.1	149.9	175.9	-74.1	176.2	0	0	0	106.7
1099	S	26.3	Very low	32.1	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	75%	0.752	S	S	*	*			cis	-163.8	154.7	-5.2	169.9	0	0	0	0	109.2
1100	S	28.9	Very low	32.2	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	75%	0.748	S	S	*	*			trans	57.1	142.7	154.8	44.1	0	0	0	0	119.9
1101	S	30.1	Very low	31.5	Very low	118 Å²	118	134.3 Å²	134.3	83%	0.825	76%	0.755	S	S	*	*			cis	-163.3	166.9	1.2	38.7	0	0	0	0	112.5
1102	H	30.1	Very low	31.7	Very low	181 Å²	181	128.6 Å²	128.6	84%	0.838	74%	0.744	S	S	*	*			trans	-64.1	175.7	179.8	-80.5	-65.2	0	0	0	116
1103	P	55.7	Low	31.7	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	76%	0.755	S	S	*	*			cis	-142.4	-175.8	20.1	42.1	-21.9	0	0	0	119.7
1104	S	27.3	Very low	31.4	Very low	120 Å²	120	128.6 Å²	128.6	84%	0.839	75%	0.749	S	S	*	*			trans	105	155.7	164.2	75.2	0	0	0	0	119.3
1105	L	32.8	Very low	31.3	Very low	164 Å²	164	130.2 Å²	130.2	86%	0.859	75%	0.752	S	S	*	*			trans	-154.1	170.3	-158.4	-93.9	166.6	0	0	0	109.3
1106	P	57	Low	31	Very low	102 Å²	102	132.4 Å²	132.4	66%	0.662	76%	0.759	S	S	*	*			cis	-123.3	-147.4	5.3	30.9	-5.4	0	0	0	111.6
1107	Q	28.9	Very low	30.7	Very low	156 Å²	156	129 Å²	129	73%	0.729	75%	0.754	S	S	*	*			cis	-156.6	176.4	7.5	-153.3	158.5	-10.1	0	0	115.1
1108	E	29.9	Very low	30	Very low	150 Å²	150	131.5 Å²	131.5	70%	0.701	76%	0.756	S	S	*	*			trans	-51.4	169.6	179.4	-63.7	174.1	106.9	0	0	120
1109	V	26.9	Very low	29.8	Very low	121 Å²	121	128.4 Å²	128.4	73%	0.733	75%	0.748	S	S	*	*			cis	-167.2	153.6	-7.5	130.2	0	0	0	0	112.2
1110	A	28.1	Very low	29.7	Very low	83 Å²	83	128.9 Å²	128.9	69%	0.686	75%	0.751	S	S	*	*			trans	63.5	159.2	160.8	0	0	0	0	0	119.9
1111	Q	27.4	Very low	29.6	Very low	187 Å²	187	129.1 Å²	129.1	87%	0.874	75%	0.753	S	S	*	*			cis	-172.5	171.6	-19.4	-98.3	-173.3	34.6	0	0	107.1
1112	A	27.3	Very low	29.4	Very low	77 Å²	77	129.9 Å²	129.9	64%	0.636	75%	0.752	S	S	*	*			cis	-174.5	180	-29.3	0	0	0	0	0	111.2
1113	L	25.1	Very low	29.1	Very low	156 Å²	156	130.5 Å²	130.5	82%	0.817	76%	0.756	S	S	*	*			trans	75.2	109.3	154.9	-75.9	164.6	0	0	0	124.3
1114	S	22.6	Very low	27.7	Very low	93 Å²	93	135.2 Å²	135.2	65%	0.65	76%	0.76	S	S	*	*				95.9	146.4	120.5	76.9	0	0	0	0	123.7
1115	H	25.7	Very low	27.5	Very low	167 Å²	167	140.5 Å²	140.5	77%	0.773	76%	0.763	S	S	*	*			trans	60.5	131.8	172.8	-58.8	-76	0	0	0	118.8
1116	Q	24.6	Very low	27.8	Very low	165 Å²	165	138.3 Å²	138.3	77%	0.771	76%	0.759	S	S	*	*			cis	108.2	138.4	5.7	-159.1	-178.9	32.7	0	0	116.4
1117	T	24.9	Very low	26.5	Very low	109 Å²	109	139 Å²	139	67%	0.669	77%	0.766	S	S	*	*			trans	87.7	100.4	157.5	15.7	0	0	0	0	123.3
1118	T	23.3	Very low	26.9	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	77%	0.769	S	S	*	*				76.1	152	123.2	48.1	0	0	0	0	126.6
1119	C	23.6	Very low	26.8	Very low	113 Å²	113	140.2 Å²	140.2	76%	0.764	78%	0.779	S	S	*	*			trans	77.6	122	160.5	-71.5	0	0	0	0	117.9
1120	S	23.8	Very low	26.7	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	79%	0.786	S	S	*	*			cis	87.1	137.8	47.3	79.4	0	0	0	0	112.9
1121	S	26.2	Very low	26.7	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	79%	0.791	S	S	*	*			cis	-146.1	169	17.4	-62.2	0	0	0	0	113
1122	V	25.5	Very low	27.3	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	79%	0.789	S	S	*	*			trans	-95.8	143.5	158.7	173.6	0	0	0	0	108.2
1123	E	24	Very low	27.4	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	80%	0.796	S	S	*	*			trans	-133.4	154.3	174	-141.5	169.5	-142.5	0	0	113.3
1124	Y	26.1	Very low	27.5	Very low	213 Å²	213	141.2 Å²	141.2	84%	0.835	80%	0.795	S	S	*	*			trans	-111.3	152.7	-167	-115.8	-108	0	0	0	111	P1126	Y1124-P1126 WeakPolarHBondContact O-CD 3.28Å
1125	Y	24.7	Very low	28.1	Very low	231 Å²	231	143 Å²	143	91%	0.906	80%	0.801	S	S	*	*			trans	-84.8	127.4	163.1	-85	-84.8	0	0	0	111.3
1126	P	38.4	Very low	28.9	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	80%	0.802	S	S	*	*			trans	-112.2	147.1	161.3	37.2	-29.2	0	0	0	112.6	Y1124	Y1124-P1126 WeakPolarHBondContact O-CD 3.28Å
1127	S	29.6	Very low	29.1	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	81%	0.806	S	S	*	*			trans	-89.5	153.6	165	56.9	0	0	0	0	111.6
1128	P	37.9	Very low	30.1	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	81%	0.809	S	S	*	*			trans	-121.3	122.8	166.9	35.2	-23	0	0	0	114.3
1129	F	27.2	Very low	30.3	Very low	210 Å²	210	142.2 Å²	142.2	92%	0.921	81%	0.811	S	S	*	*			trans	-153.8	100.9	155.8	-113.8	-68.9	0	0	0	110
1130	S	25.4	Very low	30.5	Very low	126 Å²	126	142.2 Å²	142.2	88%	0.881	81%	0.812	S	S	*	*			trans	-172.7	153	159.9	-85.9	0	0	0	0	111.3
1131	S	26.9	Very low	30.6	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	81%	0.808	S	S	*	*			trans	-90	167.9	178.8	-48.9	0	0	0	0	112.5
1132	P	41.5	Very low	30.7	Very low	129 Å²	129	144.1 Å²	144.1	84%	0.838	81%	0.811	S	S	*	*				-142.4	-172.5	114.2	39.2	-26.1	0	0	0	114.4
1133	T	27.8	Very low	30.7	Very low	127 Å²	127	143.2 Å²	143.2	78%	0.779	81%	0.811	S	S	*	*			trans	-131.4	162.8	-173.9	-42.6	0	0	0	0	110.8
1134	L	27.9	Very low	31	Very low	151 Å²	151	137 Å²	137	79%	0.791	80%	0.798	S	S	*	*			trans	88.8	91.8	167.9	-59.6	164.9	0	0	0	119.1
1135	V	34.7	Very low	31.2	Very low	129 Å²	129	135.6 Å²	135.6	78%	0.782	80%	0.799	S	S	*	*				35.6	121.8	106.5	179.9	0	0	0	0	116.2
1136	P	42.5	Very low	31.3	Very low	122 Å²	122	132.1 Å²	132.1	79%	0.792	79%	0.793	S	S	*	*				-145.7	171.2	73.7	40.4	-22.4	0	0	0	119.5
1137	K	28.7	Very low	30.9	Very low	196 Å²	196	132.2 Å²	132.2	85%	0.852	79%	0.792	S	S	*	*			trans	-94.7	174.7	166	-91.7	-175	176.5	-175.7	0	109
1138	P	46.4	Very low	31.9	Very low	112 Å²	112	131.8 Å²	131.8	73%	0.727	79%	0.786	S	S	*	*			cis	-153.7	175.6	30.8	45.5	-24.6	0	0	0	121.1
1139	C	27	Very low	32.5	Very low	117 Å²	117	130.6 Å²	130.6	79%	0.791	78%	0.779	S	S	*	*			trans	84.1	148.6	138.5	-83.6	0	0	0	0	125.1
1140	S	27.3	Very low	32.5	Very low	113 Å²	113	129 Å²	129	79%	0.79	77%	0.771	S	S	*	*			trans	76.1	145.1	158.4	71.5	0	0	0	0	120
1141	S	27.8	Very low	32.7	Very low	92 Å²	92	129 Å²	129	64%	0.643	76%	0.757	S	S	*	*			cis	-174.7	170.4	-24.2	53.5	0	0	0	0	111.5
1142	I	27.2	Very low	32.6	Very low	162 Å²	162	130.4 Å²	130.4	83%	0.831	75%	0.751	S	S	*	*			trans	75.3	151.8	161.4	-59.7	157.8	0	0	0	115.9
1143	S	26.6	Very low	31.9	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	75%	0.746	S	S	*	*			cis	-177.4	153.6	-41.4	-166.3	0	0	0	0	110.1
1144	G	28.9	Very low	33	Very low	62 Å²	62	129.4 Å²	129.4	64%	0.639	75%	0.749	S	S	*	*			trans	114.6	131.5	147.6	0	0	0	0	0	119.8
1145	H	29.9	Very low	32.8	Very low	184 Å²	184	126 Å²	126	85%	0.852	75%	0.75	S	S	*	*			trans	58.5	124.4	158.7	-76.4	-83	0	0	0	120.7
1146	M	27.5	Very low	32.6	Very low	159 Å²	159	127.4 Å²	127.4	78%	0.783	75%	0.754	S	S	*	*			cis	78.2	118.7	9.5	-142.6	178.7	170	0	0	114.8
1147	T	30.4	Very low	33	Very low	118 Å²	118	126.1 Å²	126.1	72%	0.724	75%	0.746	S	S	*	*			cis	-150.7	-123.6	2.2	19.9	0	0	0	0	114.8
1148	P	50.2	Low	33.1	Very low	110 Å²	110	124.2 Å²	124.2	71%	0.714	74%	0.739	S	S	*	*				-132.2	-137.7	-119.6	47.4	-26.7	0	0	0	112.8
1149	P	50.8	Low	32.3	Very low	95 Å²	95	125.4 Å²	125.4	62%	0.617	74%	0.739	S	S	*	*			cis	-136.4	173.8	-29.1	39.8	-23.4	0	0	0	116.5
1150	K	28.2	Very low	32.3	Very low	177 Å²	177	125 Å²	125	77%	0.77	73%	0.733	S	S	*	*			trans	61.8	163.1	145.9	-75.6	165.9	162.4	-127.5	0	118.6
1151	Q	27.8	Very low	32.3	Very low	124 Å²	124	124.7 Å²	124.7	58%	0.579	72%	0.719	S	S	*	*			cis	-137	-153.1	-11.4	-130.1	152.5	-123.4	0	0	107.4
1152	E	26.3	Very low	32.4	Very low	143 Å²	143	122.9 Å²	122.9	67%	0.668	71%	0.706	S	S	*	*			cis	-149.3	-127.9	11.9	-162.2	63.4	-84.7	0	0	111.2
1153	S	26.4	Very low	33.1	Very low	103 Å²	103	119.5 Å²	119.5	72%	0.72	70%	0.695	S	S	*	*			trans	-167.6	-166.9	178.2	-65.7	0	0	0	0	107.9
1154	P	49.9	Very low	33.3	Very low	132 Å²	132	123.6 Å²	123.6	86%	0.857	69%	0.692	S	S	*	*			cis	-121.6	-174.6	-41.4	35	-19	0	0	0	112
1155	G	25.1	Very low	33.4	Very low	79 Å²	79	123.2 Å²	123.2	81%	0.814	68%	0.68	S	S	*	*			trans	153	128.5	155.6	0	0	0	0	0	118.8
1156	N	30.7	Very low	33.2	Very low	160 Å²	160	119.1 Å²	119.1	86%	0.856	67%	0.672	S	S	*	*			trans	-98.1	176.6	158.8	-132.5	-4	0	0	0	107.5
1157	P	49.1	Very low	34.1	Very low	95 Å²	95	116.8 Å²	116.8	62%	0.617	67%	0.669	S	S	*	*			cis	-151.4	-169.5	25.6	44.5	-22.3	0	0	0	118.6
1158	H	30.8	Very low	34.2	Very low	155 Å²	155	117.6 Å²	117.6	72%	0.718	67%	0.673	S	S	*	*			trans	68.6	124.9	145.2	-81.2	-63.6	0	0	0	124.9
1159	L	30.1	Very low	34.3	Very low	137 Å²	137	117.9 Å²	117.9	72%	0.717	68%	0.675	S	S	*	*			trans	62.1	161	138.3	-60.5	165.3	0	0	0	118.1
1160	T	27.3	Very low	35	Very low	110 Å²	110	118.6 Å²	118.6	68%	0.675	68%	0.68	S	S	*	*			cis	-149.2	-177.4	5.3	-18.5	0	0	0	0	111.5
1161	Q	26.8	Very low	36.1	Very low	106 Å²	106	116.2 Å²	116.2	50%	0.495	68%	0.682	S	S	.	*			trans	-27.7	132.4	162.9	-59.8	161.4	-36	0	0	115
1162	S	31.6	Very low	36.2	Very low	53 Å²	53	118.9 Å²	118.9	37%	0.371	70%	0.695	S	S	.	*			cis	84.9	131.5	42.3	77.4	0	0	0	0	116.2	T96 S97	T96-S1162 PolarHBondContact OG1-O 3.48Å; T96-S1162 PolarHBondContact OG1-OG 3.17Å; S97-S1162 VanDerWaalsContact CB-OG 3.24Å; S97-S1162 WeakPolarHBondContact CB-OG 3.11Å
1163	P	41.7	Very low	36.3	Very low	91 Å²	91	124.1 Å²	124.1	59%	0.591	71%	0.708	S	S	*	*			trans	-144.2	155.6	159.9	39.9	-23.9	0	0	0	118.1	I95 T96	I95-P1163 HydrophobicContact CB-CB 4.3Å; I95-P1163 HydrophobicContact CD1-CB 3.86Å; I95-P1163 HydrophobicContact CG1-CB 3.59Å; T96-P1163 WeakPolarHBondContact OG1-CA 3.43Å
1164	R	29.3	Very low	36.3	Very low	202 Å²	202	122.9 Å²	122.9	76%	0.762	71%	0.712	S	S	*	*			trans	-154.1	122.2	179.9	173.6	-140.4	-168.2	-168.9	7	114.2	S94 I95 T96	S94-R1164 CarbonylContact C-O 3.52Å; S94-R1164 VanDerWaalsContact CA-C 3.43Å; S94-R1164 VanDerWaalsContact CA-O 3.25Å; S94-R1164 WeakPolarHBondContact CA-O 3.45Å; I95-R1164 PolarHBondContact N-O 2.83Å; I95-R1164 VanDerWaalsContact N-O 3.16Å; T96-R1164 HydrophobicContact CG2-CB 4.2Å
1165	S	31.5	Very low	35.3	Very low	54 Å²	54	123.1 Å²	123.1	38%	0.378	72%	0.717	S	S	.	*			trans	165.6	150	138	92.3	0	0	0	0	116.5	S93	S93-S1165 VanDerWaalsContact CA-OG 3.3Å; S93-S1165 WeakPolarHBondContact CA-OG 3.49Å; S93-S1165 PolarHBondContact O-OG 3.47Å
1166	S	25.5	Very low	35.5	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	71%	0.713	S	S	*	*			trans	56.3	159.9	137.9	-59.1	0	0	0	0	124.2
1167	P	47.7	Very low	35.5	Very low	111 Å²	111	120 Å²	120	72%	0.721	71%	0.713	S	S	*	*			cis	-142	159.7	-33.8	39	-20.8	0	0	0	117.6
1168	V	31.9	Very low	34.7	Very low	134 Å²	134	126.2 Å²	126.2	81%	0.812	73%	0.725	S	S	*	*			trans	15.3	144.6	131.7	176.8	0	0	0	0	119.9
1169	P	52.7	Low	34.5	Very low	116 Å²	116	126.9 Å²	126.9	75%	0.753	73%	0.733	S	S	*	*			cis	-132.7	-118	20.6	26	3.5	0	0	0	118.7
1170	P	63.8	Low	34.4	Very low	110 Å²	110	124.5 Å²	124.5	71%	0.714	73%	0.728	S	S	*	*				-128.9	-157	-121.3	47.1	-26.2	0	0	0	114.4
1171	P	52.3	Low	34.3	Very low	127 Å²	127	126.4 Å²	126.4	83%	0.825	73%	0.734	S	S	*	*			cis	-136.2	-158.1	-1.7	44.4	-23.4	0	0	0	116.5
1172	Q	29.9	Very low	34.4	Very low	180 Å²	180	129.3 Å²	129.3	84%	0.841	75%	0.752	S	S	*	*			trans	-92.7	152.3	-170.5	-54.2	167.6	-32.8	0	0	116.4
1173	R	28.9	Very low	34	Very low	253 Å²	253	135 Å²	135	96%	0.955	77%	0.773	S	S	*	*				167.7	150	123.2	-97.7	-178.6	176.6	-175.4	0.4	113.4
1174	G	25.8	Very low	34.1	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	77%	0.772	S	S	*	*			trans	138.8	144.9	160.2	0	0	0	0	0	115.7
1175	S	29.9	Very low	34	Very low	137 Å²	137	133.6 Å²	133.6	96%	0.958	78%	0.775	S	S	*	*			trans	-125.7	156.1	-176.1	-54.7	0	0	0	0	113.3
1176	G	27.8	Very low	33.9	Very low	71 Å²	71	137 Å²	137	73%	0.732	79%	0.794	S	S	*	*			trans	162.5	125.4	166.6	0	0	0	0	0	109.5
1177	A	30.5	Very low	34	Very low	102 Å²	102	136.5 Å²	136.5	84%	0.843	80%	0.795	S	S	*	*			cis	99.1	134.7	38.8	0	0	0	0	0	112.8
1178	Y	32.5	Very low	33.2	Very low	225 Å²	225	142.8 Å²	142.8	88%	0.882	81%	0.805	S	S	*	*			trans	-19.9	133.3	-178.7	-70.5	-96.9	0	0	0	119.3
1179	L	27.7	Very low	33.1	Very low	169 Å²	169	141.1 Å²	141.1	89%	0.885	80%	0.799	S	S	*	*				-166.3	-167.8	109.6	-138.6	82.9	0	0	0	112.7
1180	S	26.9	Very low	32.1	Very low	87 Å²	87	145 Å²	145	61%	0.608	80%	0.804	S	S	*	*			trans	-100.3	163.2	-171.2	-41.2	0	0	0	0	114.9
1181	D	25.1	Very low	30.8	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	81%	0.805	S	S	*	*			trans	68.2	163.3	150.3	-59.4	-45	0	0	0	121.4
1182	L	28.6	Very low	30.4	Very low	167 Å²	167	146.1 Å²	146.1	87%	0.874	80%	0.803	S	S	*	*			trans	83.7	120	174.9	-69.9	102.6	0	0	0	121.4
1183	E	25	Very low	30.4	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.804	80%	0.795	S	S	*	*			trans	-43.6	176.7	145.5	-85.1	-169.1	91.4	0	0	116.9
1184	P	43.3	Very low	30.6	Very low	88 Å²	88	135.8 Å²	135.8	57%	0.571	78%	0.78	S	S	*	*			cis	-142.7	-174.4	-30.5	38.2	-19.7	0	0	0	114.5
1185	Q	27.6	Very low	30.5	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	80%	0.799	S	S	*	*			trans	71.1	148.1	164.6	-52.7	179.1	25.7	0	0	116.3
1186	T	28.5	Very low	30.6	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	79%	0.791	S	S	*	*			cis	-147.7	151.5	12.4	-28.6	0	0	0	0	112.8
1187	A	28.7	Very low	30.7	Very low	87 Å²	87	147.2 Å²	147.2	72%	0.719	80%	0.795	S	S	*	*			trans	65.6	120.9	153.2	0	0	0	0	0	122.4
1188	R	29.8	Very low	30.7	Very low	244 Å²	244	149.7 Å²	149.7	92%	0.921	79%	0.792	S	S	*	*				27.8	140.6	126.8	-80.5	177.6	178.1	171.2	-0.5	119.9
1189	S	30.1	Very low	30.6	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	79%	0.786	S	S	*	*			cis	-170.1	152.9	17.9	46.5	0	0	0	0	115.8
1190	K	31	Very low	30.8	Very low	196 Å²	196	143.8 Å²	143.8	85%	0.852	78%	0.78	S	S	*	*			trans	49.1	117.1	140.7	-65.9	-175.4	175.3	-170.4	0	121
1191	L	37.2	Very low	31.1	Very low	141 Å²	141	147.6 Å²	147.6	74%	0.738	79%	0.792	S	S	*	*				10	147.7	114.1	-75.6	161.4	0	0	0	118.2
1192	P	44	Very low	31.5	Very low	120 Å²	120	147.4 Å²	147.4	78%	0.779	79%	0.791	S	S	*	*			cis	-124.3	-176.5	35.3	43.3	-31.2	0	0	0	113.4
1193	S	29.7	Very low	31.7	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	78%	0.784	S	S	*	*			cis	-155.9	151.6	-9.1	30.3	0	0	0	0	106.8
1194	N	32.3	Very low	32.3	Very low	121 Å²	121	143.7 Å²	143.7	65%	0.647	78%	0.783	S	S	*	*				65.7	141.6	52.5	-70.3	76.1	0	0	0	112.7
1195	L	25.3	Very low	31.3	Very low	231 Å²	231	148.7 Å²	148.7	100%	1.209	80%	0.802	S	S	*	*			cis	41	0	1.8	-75.2	178.6	0	0	0	115.3

Retrieved 1,195 of 1,195 residues in 1089.5 ms (Link to these results)

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