A0A087Y6I2_POEFO Loading...

TBC1 domain family, member 10b

AlphaFold DB , UniProt , Accession A0A087Y6I2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 819 aa.

						>A0A087Y6I2_POEFO|A0A087Y6I2
MAELSTLPPSPPQLGDPSAAPASSCPDSVNELPLPKSSLYNDKALTGNTSSALSRGPTTTAQPETEEPAGKNQETATGGQSVAESGSSQPAAQIKTTQEPLSPDLNPGPNLYPSVHVSSDPDPVVDVAQPQTSTDFNPATSSTDDQEKPQPPPQAQKPQNELPPPPSPNPDPVAEELPTTSTRAAPSSPTLPVIQEPVGPLSYPKPKPAPDTLSYLDSASLMSGTLESLSGLGEDGSSVGSDSEINGLTLRRTDKYGFLGGNQYSDSGEKEVRVEVARQRELKWLDMFCHWDKWVKHRFQKVKLRCRKGIPSSLRSKAWQLLSDSQELLEANPGKFDELEREPGEAKWLDIIEKDLHRQFPFHEMFAARGGHGQQDLYRILKAYTVYRPDEGYCQAQAPVAAVLLMHMPAEQAFWCLVQICEKYLPGYYSAGLEAIQLDGEIFFSLLRRTCPMAYRHLKKFKIDPILYMTEWFMCIFSRTLPWSSVLRVWDMFFCEGVKIIFRVGLVLLKQMLGSVDKLRELQGMYETMERLRNISPDTIREDVLVQEIIMLPVTEALIEKECSVQVRKWKESRGELTHKPGRRLHGTRAIFEYKRRASSISSGGSFSFLGSSAPPPGPLRASSSLLSLPGFRKSRAPFFSQPKKISFSGPSGAESQSPVASLSGQKPPIPPSAAPKATTPHVQSPLAAESSSAQIQPAPPNTLSPKIVSEQITPTIPSPTANNAPLQPQLPPPQPPPQPPKETTPSVSGEDEGKKKKKSKEDKKKEKEDEKKKMKEKKEKEKVEKEKAKKEKEKKKAGKKKDKGTEENGATAAAKDST
					

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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	31.3	Very low	35.2	Very low	249 Å²	249	137.1 Å²	137.1	100%	1.227	81%	0.811	S	S	*	*				0	127.6	0	-55.4	178.4	-172	0	0	106.4
2	A	33.6	Very low	35.6	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	81%	0.813	S	S	*	*			cis	-126	125	-0.3	0	0	0	0	0	107.3
3	E	34.9	Very low	35.4	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	81%	0.813	S	S	*	*				67.6	106.1	85.3	-75.2	-78.5	104.6	0	0	113.7
4	L	33.3	Very low	35.3	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	82%	0.819	S	S	*	*				178	116.7	120.9	-93.4	165.8	0	0	0	112.4
5	S	32.8	Very low	35	Very low	92 Å²	92	137.3 Å²	137.3	64%	0.643	82%	0.817	S	S	*	*				26.4	143.7	127.3	-56.7	0	0	0	0	121.5
6	T	31.7	Very low	34.7	Very low	119 Å²	119	138.7 Å²	138.7	73%	0.73	82%	0.82	S	S	*	*			cis	-168.9	148.2	2.5	13.4	0	0	0	0	111.7
7	L	33.4	Very low	35.6	Very low	162 Å²	162	136.9 Å²	136.9	85%	0.848	81%	0.813	S	S	*	*			trans	45.1	138.1	148.1	-65.3	169.9	0	0	0	122.7
8	P	37.9	Very low	35.2	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-96.4	158.8	177	38.6	-35.5	0	0	0	115
9	P	39.5	Very low	35	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-89.5	160.6	172.3	35.7	-34.5	0	0	0	114.3
10	S	35.1	Very low	34.9	Very low	117 Å²	117	131.9 Å²	131.9	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-95	168.3	179.3	-59.7	0	0	0	0	113.3
11	P	44	Very low	35	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93.3	166.5	-166.8	37.5	-36.3	0	0	0	115
12	P	39.8	Very low	34.8	Very low	129 Å²	129	124.3 Å²	124.3	84%	0.838	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-78.1	162.2	168.7	33.5	-35.2	0	0	0	113.2
13	Q	33.4	Very low	34.6	Very low	174 Å²	174	125 Å²	125	81%	0.813	79%	0.79	S	S	*	*			trans	-132.5	173	-178.5	-90.8	-164.8	-11.5	0	0	112.8
14	L	34.3	Very low	34.4	Very low	171 Å²	171	122.5 Å²	122.5	90%	0.895	79%	0.791	S	S	*	*			trans	79.7	139	169.7	-59.6	113.8	0	0	0	116.5
15	G	29.6	Very low	34.1	Very low	77 Å²	77	120.9 Å²	120.9	79%	0.794	79%	0.792	S	S	*	*			cis	-154	170.8	6.9	0	0	0	0	0	116.1
16	D	31.3	Very low	34.4	Very low	160 Å²	160	122.8 Å²	122.8	86%	0.856	80%	0.802	S	S	*	*			trans	-107.5	-171.5	-165	-118.5	-36.6	0	0	0	111.8
17	P	49.5	Very low	34.3	Very low	109 Å²	109	124.1 Å²	124.1	71%	0.708	81%	0.805	S	S	*	*			cis	-137.2	-177.4	-23.1	34.5	-15.2	0	0	0	114.4
18	S	29.1	Very low	34.3	Very low	112 Å²	112	121.2 Å²	121.2	78%	0.783	80%	0.798	S	S	*	*				142	133.6	116.1	-161.9	0	0	0	0	118.2
19	A	30.8	Very low	34.1	Very low	100 Å²	100	121.4 Å²	121.4	83%	0.826	80%	0.797	S	S	*	*			trans	65.1	133.7	152.2	0	0	0	0	0	122
20	A	32.4	Very low	33.5	Very low	97 Å²	97	121.9 Å²	121.9	80%	0.802	79%	0.792	S	S	*	*			trans	-117.7	163.8	166.7	0	0	0	0	0	110.7
21	P	37.1	Very low	33.2	Very low	132 Å²	132	123.5 Å²	123.5	86%	0.857	79%	0.787	S	S	*	*			trans	-102.9	145	170.2	36.3	-29.7	0	0	0	112.8
22	A	27.7	Very low	32.4	Very low	91 Å²	91	125.1 Å²	125.1	75%	0.752	79%	0.789	S	S	*	*			trans	-140.1	138.1	170.8	0	0	0	0	0	112.1
23	S	30.1	Very low	32.5	Very low	106 Å²	106	123.8 Å²	123.8	74%	0.741	78%	0.78	S	S	*	*			trans	51.6	137.6	150.2	62	0	0	0	0	123
24	S	29.1	Very low	32.3	Very low	116 Å²	116	122 Å²	122	81%	0.811	78%	0.775	S	S	*	*			trans	89.7	163.4	142.8	80.5	0	0	0	0	120.2
25	C	27.8	Very low	32.5	Very low	122 Å²	122	120 Å²	120	82%	0.824	77%	0.773	S	S	*	*			trans	-107.2	170.8	-162.6	-49.2	0	0	0	0	112.8
26	P	38.8	Very low	32.5	Very low	132 Å²	132	124.8 Å²	124.8	86%	0.857	77%	0.772	S	S	*	*			trans	-125.8	171.6	145.7	38.2	-28.3	0	0	0	113.1
27	D	29	Very low	32.6	Very low	148 Å²	148	123 Å²	123	79%	0.791	77%	0.771	S	S	*	*			trans	-145.4	152.1	-172.3	-157.8	-27.5	0	0	0	110.8
28	S	34.4	Very low	31.6	Very low	100 Å²	100	123 Å²	123	70%	0.699	77%	0.774	S	S	*	*			trans	67	156.2	167.6	-67.3	0	0	0	0	118.3
29	V	32.8	Very low	31.6	Very low	117 Å²	117	124.4 Å²	124.4	71%	0.709	77%	0.772	S	S	*	*			cis	-160.1	157.3	2.4	-112.3	0	0	0	0	113.1
30	N	27.8	Very low	31.7	Very low	139 Å²	139	130 Å²	130	74%	0.743	77%	0.773	S	S	*	*			trans	61.4	156	150.3	-62.6	-1.4	0	0	0	121.4
31	E	29.3	Very low	31.5	Very low	151 Å²	151	131.8 Å²	131.8	71%	0.706	77%	0.769	S	S	*	*			cis	-160.4	143.1	-16.4	-122	-164.1	131.8	0	0	112.8
32	L	26.4	Very low	31.2	Very low	144 Å²	144	130.9 Å²	130.9	75%	0.754	76%	0.757	S	S	*	*			trans	51.8	170.8	148.5	-75.8	178.1	0	0	0	122.9
33	P	42.8	Very low	31.3	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	76%	0.757	S	S	*	*			cis	-132.6	159	-19.8	36.3	-18.8	0	0	0	117.3
34	L	28.8	Very low	31.3	Very low	136 Å²	136	134 Å²	134	71%	0.712	76%	0.758	S	S	*	*			trans	41.7	152.2	140.2	-75.8	168.9	0	0	0	123.4	K36	L34-K36 HydrophobicContact CD2-CG 4.11Å
35	P	37.9	Very low	31.3	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	76%	0.763	S	S	*	*			cis	-140.4	-154.7	47.4	40.8	-18.9	0	0	0	117
36	K	30.5	Very low	31.4	Very low	178 Å²	178	137.8 Å²	137.8	77%	0.774	77%	0.765	S	S	*	*			trans	-132.9	177	-162.8	-62.8	177.1	-179.9	173	0	113.9	L34	L34-K36 HydrophobicContact CD2-CG 4.11Å
37	S	32.9	Very low	30.9	Very low	121 Å²	121	135.1 Å²	135.1	85%	0.846	76%	0.762	S	S	*	*			trans	90	153.9	174.3	82.1	0	0	0	0	115.2
38	S	28.3	Very low	30.9	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	77%	0.765	S	S	*	*			cis	-144.3	-177.3	8.8	-157.4	0	0	0	0	114.7
39	L	29.9	Very low	30.6	Very low	142 Å²	142	137.9 Å²	137.9	74%	0.743	77%	0.774	S	S	*	*			trans	-66.1	156.9	-170.8	-61.8	144.2	0	0	0	116.2
40	Y	32.2	Very low	30.4	Very low	217 Å²	217	137.4 Å²	137.4	85%	0.851	78%	0.776	S	S	*	*				-169.5	161.8	108.8	-119.7	-95.2	0	0	0	114.7
41	N	28.6	Very low	30.4	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	78%	0.781	S	S	*	*			trans	-85	-174.6	177.1	-50.6	-41.6	0	0	0	111.4
42	D	30.9	Very low	30.3	Very low	113 Å²	113	133.1 Å²	133.1	60%	0.604	78%	0.779	S	S	*	*			cis	-164.9	176.1	9.4	-154.2	-13.2	0	0	0	111.1
43	K	28.8	Very low	30.4	Very low	170 Å²	170	134.6 Å²	134.6	74%	0.739	79%	0.786	S	S	*	*			trans	49.1	122.8	158.2	-71	140.2	-175.3	143.1	0	119.2
44	A	30	Very low	29.7	Very low	94 Å²	94	135.2 Å²	135.2	78%	0.777	79%	0.793	S	S	*	*			cis	75	113.2	45.9	0	0	0	0	0	115.9
45	L	29.4	Very low	29.7	Very low	175 Å²	175	140.2 Å²	140.2	92%	0.916	80%	0.803	S	S	*	*			trans	-146.8	154.4	152.7	-151.2	73.5	0	0	0	110.8
46	T	30.7	Very low	29.2	Very low	141 Å²	141	137.6 Å²	137.6	87%	0.865	80%	0.799	S	S	*	*			trans	-104.8	150.1	-172	50	0	0	0	0	113
47	G	27.4	Very low	30.1	Very low	77 Å²	77	134.3 Å²	134.3	79%	0.794	80%	0.796	S	S	*	*			trans	-164.5	99.2	170.7	0	0	0	0	0	114.3
48	N	28.8	Very low	29.9	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	79%	0.792	S	S	*	*			trans	-82.9	146.7	160.8	-78.2	-16.6	0	0	0	109.3
49	T	28.4	Very low	29.9	Very low	146 Å²	146	134.6 Å²	134.6	90%	0.896	79%	0.788	S	S	*	*				-175.6	160.5	108.3	28.1	0	0	0	0	112.5
50	S	27.6	Very low	29.8	Very low	107 Å²	107	134 Å²	134	75%	0.748	79%	0.791	S	S	*	*			trans	-83.9	171.6	-171.3	-47	0	0	0	0	114.6
51	S	28.8	Very low	29.5	Very low	121 Å²	121	128.3 Å²	128.3	85%	0.846	79%	0.788	S	S	*	*			trans	71.8	162.3	150.3	73.6	0	0	0	0	118.3
52	A	27.8	Very low	29.3	Very low	79 Å²	79	130.7 Å²	130.7	65%	0.653	80%	0.795	S	S	*	*			cis	-172.6	167.8	-34.2	0	0	0	0	0	108.7
53	L	28.8	Very low	30.2	Very low	175 Å²	175	130.4 Å²	130.4	92%	0.916	80%	0.799	S	S	*	*			trans	67.2	163.5	173.4	-50.7	163	0	0	0	113.4
54	S	26.8	Very low	30.1	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	80%	0.804	S	S	*	*			cis	-143.7	-171.7	-10	-157.4	0	0	0	0	111
55	R	29.1	Very low	30	Very low	241 Å²	241	132.4 Å²	132.4	91%	0.909	80%	0.804	S	S	*	*			trans	-89.7	122.4	-174.8	-67.3	167.2	163.2	169.3	-8.6	115.2
56	G	27.5	Very low	29.9	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	80%	0.803	S	S	*	*			trans	47.2	-162.7	143.5	0	0	0	0	0	120.3
57	P	50.3	Low	29.9	Very low	110 Å²	110	134 Å²	134	71%	0.714	80%	0.798	S	S	*	*			cis	-132.3	-163.9	-20.8	39.3	-21.2	0	0	0	112.8
58	T	28.3	Very low	30.7	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	80%	0.797	S	S	*	*			trans	65.4	145.9	154.8	48	0	0	0	0	120
59	T	27.4	Very low	30.8	Very low	111 Å²	111	132.7 Å²	132.7	68%	0.681	79%	0.79	S	S	*	*			cis	-162.7	164.2	-21.6	-55.1	0	0	0	0	109.5
60	T	27.6	Very low	30.8	Very low	131 Å²	131	129.3 Å²	129.3	80%	0.804	79%	0.785	S	S	*	*			trans	90.9	146.6	145.5	0.9	0	0	0	0	122.5
61	A	26.8	Very low	30.8	Very low	96 Å²	96	133.6 Å²	133.6	79%	0.793	79%	0.79	S	S	*	*			trans	91.1	123.8	151.1	0	0	0	0	0	120.4
62	Q	25.2	Very low	30.7	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	79%	0.787	S	S	*	*			trans	-100.6	-163	159.2	-45.6	176.4	-90.7	0	0	107.4
63	P	48.4	Very low	30.8	Very low	107 Å²	107	139.5 Å²	139.5	70%	0.695	80%	0.795	S	S	*	*			cis	-121.9	-173.7	-15	26.2	-0.3	0	0	0	110.9
64	E	26.6	Very low	30.8	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	79%	0.789	S	S	*	*				-169.7	168.1	64.6	-82.8	-167.7	135.4	0	0	114.4
65	T	28.5	Very low	30.8	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	79%	0.785	S	S	*	*			trans	-51.2	143.4	179.7	-29.7	0	0	0	0	116.3
66	E	28.3	Very low	30.8	Very low	191 Å²	191	131.5 Å²	131.5	89%	0.893	77%	0.772	S	S	*	*				-173.9	149.3	109.4	-100.5	-175.1	175.3	0	0	114.1
67	E	29.5	Very low	30.7	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.743	78%	0.777	S	S	*	*			trans	-131.9	154.4	163.1	-159.7	-144.6	-136.8	0	0	106.5	A69	E67-A69 PolarHBondContact OE2-N 3.28Å
68	P	45.2	Very low	29.6	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	79%	0.785	S	S	*	*				-146	156.7	107.5	36.5	-21.8	0	0	0	115.7
69	A	29.9	Very low	29.5	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	78%	0.784	S	S	*	*			trans	-77	159.3	172.5	0	0	0	0	0	114.7	E67	E67-A69 PolarHBondContact OE2-N 3.28Å
70	G	29.1	Very low	29.5	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	80%	0.796	S	S	*	*			trans	-172.4	56.5	-176.5	0	0	0	0	0	120.8
71	K	27.7	Very low	29.5	Very low	197 Å²	197	133.6 Å²	133.6	86%	0.857	79%	0.79	S	S	*	*			trans	40.1	147.4	142.3	-87.5	-176.1	178.9	179	0	124.9
72	N	27	Very low	29.6	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	79%	0.793	S	S	*	*			trans	107.7	152.9	139.3	-78.8	12.5	0	0	0	121.9
73	Q	29	Very low	29.7	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	79%	0.787	S	S	*	*			trans	-100.2	166.2	-166.2	-53.7	154.2	-46.6	0	0	111.7
74	E	28.3	Very low	28.6	Very low	168 Å²	168	135 Å²	135	79%	0.785	80%	0.796	S	S	*	*				-169.2	132.6	124.9	-102.3	-159.9	99.6	0	0	109.6
75	T	26.6	Very low	28.6	Very low	119 Å²	119	131.6 Å²	131.6	73%	0.73	79%	0.791	S	S	*	*				60.8	151	101.8	75.5	0	0	0	0	114.7
76	A	29	Very low	28.4	Very low	76 Å²	76	129.5 Å²	129.5	63%	0.628	80%	0.795	S	S	*	*			cis	-155.4	147.5	13.5	0	0	0	0	0	114.7
77	T	26.6	Very low	28.3	Very low	142 Å²	142	125.8 Å²	125.8	87%	0.871	79%	0.79	S	S	*	*				60.6	134.2	129.4	58.3	0	0	0	0	126.7
78	G	26.1	Very low	28.1	Very low	86 Å²	86	123.2 Å²	123.2	89%	0.887	79%	0.79	S	S	*	*			trans	102.2	137.4	142.4	0	0	0	0	0	117.8
79	G	26.5	Very low	27.2	Very low	72 Å²	72	126 Å²	126	74%	0.742	79%	0.792	S	S	*	*			cis	159.7	146.7	-13.8	0	0	0	0	0	114.9
80	Q	27.8	Very low	27.8	Very low	197 Å²	197	127.7 Å²	127.7	92%	0.921	80%	0.796	S	S	*	*			trans	64.6	166.4	165.8	-61.4	-174.8	6.8	0	0	117.1
81	S	27.3	Very low	27.7	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	79%	0.792	S	S	*	*			cis	-166.1	168.7	-31.2	53.9	0	0	0	0	105.8
82	V	28.2	Very low	27.7	Very low	142 Å²	142	123 Å²	123	86%	0.861	79%	0.787	S	S	*	*			cis	-159.9	180	39.5	175.6	0	0	0	0	107.8
83	A	27.3	Very low	27.8	Very low	88 Å²	88	124 Å²	124	73%	0.727	79%	0.787	S	S	*	*			trans	-111.6	164	-177.9	0	0	0	0	0	115.5
84	E	25.6	Very low	27.7	Very low	188 Å²	188	121.9 Å²	121.9	88%	0.879	78%	0.78	S	S	*	*			trans	-165.9	170.7	155.7	-91.6	-156	124.3	0	0	110.4
85	S	26.5	Very low	27.6	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	78%	0.784	S	S	*	*			cis	-176.4	114.3	-46.7	-91.9	0	0	0	0	112.1
86	G	25	Very low	27.5	Very low	83 Å²	83	123.7 Å²	123.7	86%	0.856	79%	0.785	S	S	*	*			trans	71.7	178	163.6	0	0	0	0	0	118.5
87	S	25.2	Very low	27.3	Very low	113 Å²	113	125.7 Å²	125.7	79%	0.79	79%	0.79	S	S	*	*			cis	-165.5	154.2	-17.8	-157.7	0	0	0	0	113.5
88	S	26.1	Very low	27.3	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	79%	0.79	S	S	*	*			trans	61.7	125.3	155.9	-67	0	0	0	0	124.7
89	Q	26.1	Very low	27.4	Very low	180 Å²	180	132 Å²	132	84%	0.841	79%	0.787	S	S	*	*				26	158.6	123.7	-73.8	-167.5	7.7	0	0	122.4
90	P	42	Very low	28.5	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	78%	0.783	S	S	*	*			cis	-135.9	-147.5	27.1	34.5	-10.3	0	0	0	113.7
91	A	27.4	Very low	28.5	Very low	83 Å²	83	131.6 Å²	131.6	69%	0.686	78%	0.778	S	S	*	*				-166.8	175.3	-72.4	0	0	0	0	0	109.7
92	A	28	Very low	29	Very low	91 Å²	91	131.9 Å²	131.9	75%	0.752	78%	0.78	S	S	*	*			trans	71.5	153.9	166	0	0	0	0	0	119.2
93	Q	28.7	Very low	30.4	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	78%	0.776	S	S	*	*			cis	-162.9	142.6	-19.3	-108.9	-177.4	11.6	0	0	112.4
94	I	28.4	Very low	30.7	Very low	133 Å²	133	133.1 Å²	133.1	68%	0.682	78%	0.776	S	S	*	*			trans	46.6	122.4	134.7	-57.5	167.3	0	0	0	120.7
95	K	24.9	Very low	30.9	Very low	202 Å²	202	130.8 Å²	130.8	88%	0.878	77%	0.769	S	S	*	*				-171.4	163.7	99.9	-139.3	148.3	-172.5	175.8	0	115.4
96	T	24.7	Very low	31.2	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	77%	0.769	S	S	*	*			trans	-112.3	168.1	-170	-23.6	0	0	0	0	112.2
97	T	24.8	Very low	32.5	Very low	117 Å²	117	134 Å²	134	72%	0.718	77%	0.765	S	S	*	*				170.6	115.7	122.6	-69.1	0	0	0	0	115.1
98	Q	27.6	Very low	32.6	Very low	189 Å²	189	131.8 Å²	131.8	88%	0.883	76%	0.76	S	S	*	*			trans	46	150.6	140.7	-61.2	178.4	-59.8	0	0	126.5
99	E	27.7	Very low	33.9	Very low	173 Å²	173	133.1 Å²	133.1	81%	0.808	77%	0.766	S	S	*	*			trans	-86	-179.4	168.2	-156.4	-168.9	-114.5	0	0	111.3
100	P	49.1	Very low	34.1	Very low	104 Å²	104	132 Å²	132	68%	0.675	77%	0.766	S	S	*	*				-161.7	167.5	90.3	42.8	-22.6	0	0	0	120.2
101	L	27.8	Very low	33.5	Very low	156 Å²	156	134.5 Å²	134.5	82%	0.817	77%	0.772	S	S	*	*			trans	85.8	138.6	138.3	-84.5	160.7	0	0	0	124.8
102	S	37.5	Very low	33.6	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	78%	0.775	S	S	*	*			trans	-127.2	-175.4	170.9	-49	0	0	0	0	111.1
103	P	58.1	Low	34.4	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	78%	0.778	S	S	*	*				-137.2	-146.1	74.9	31.9	-8.2	0	0	0	111.9
104	D	33.3	Very low	34.4	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	77%	0.769	S	S	*	*			cis	-165	-178.5	4.7	-141.8	1.7	0	0	0	108.6
105	L	29.9	Very low	34.3	Very low	138 Å²	138	138.2 Å²	138.2	72%	0.723	78%	0.779	S	S	*	*			cis	-150.2	-127.5	-2.4	-150.5	178.1	0	0	0	110
106	N	32.3	Very low	34.4	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	77%	0.774	S	S	*	*			trans	-172.7	-175.4	-170.1	-124.5	-31.8	0	0	0	110.8
107	P	52	Low	34.5	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	77%	0.774	S	S	*	*			cis	-134.2	-165.4	-15.9	40.1	-19.6	0	0	0	114.8
108	G	29.3	Very low	34.6	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	77%	0.774	S	S	*	*			trans	-117.8	-166.8	177.3	0	0	0	0	0	116
109	P	51.8	Low	34.6	Very low	133 Å²	133	132.2 Å²	132.2	86%	0.864	77%	0.769	S	S	*	*			trans	-146.7	177.6	144.1	39.6	-23	0	0	0	117.1
110	N	31.4	Very low	34.8	Very low	157 Å²	157	131.3 Å²	131.3	84%	0.84	77%	0.77	S	S	*	*			trans	-82.5	168.9	-171.2	-59.1	-76.9	0	0	0	116.8
111	L	29.7	Very low	34.7	Very low	173 Å²	173	132.2 Å²	132.2	91%	0.906	78%	0.776	S	S	*	*				-166.4	155.7	120.3	-104.8	168.1	0	0	0	113.8
112	Y	27.9	Very low	34.9	Very low	195 Å²	195	131.8 Å²	131.8	77%	0.765	78%	0.775	S	S	*	*			trans	-135	164.2	177	-129.3	-83.9	0	0	0	108.1
113	P	46.3	Very low	35.9	Very low	125 Å²	125	132 Å²	132	81%	0.812	77%	0.773	S	S	*	*				-146.1	157.9	111.9	37.9	-23.7	0	0	0	115.2
114	S	27.8	Very low	34.5	Very low	84 Å²	84	131.9 Å²	131.9	59%	0.587	77%	0.77	S	S	*	*			trans	-107.4	167.7	179.6	-53	0	0	0	0	112.2
115	V	26.8	Very low	34.5	Very low	148 Å²	148	131.1 Å²	131.1	90%	0.897	77%	0.77	S	S	*	*			trans	-137	132.2	160	-154.5	0	0	0	0	109.5
116	H	27.6	Very low	34.3	Very low	166 Å²	166	131.2 Å²	131.2	77%	0.769	77%	0.771	S	S	*	*			trans	-103.9	167	170.1	-81.2	-86.6	0	0	0	109.9
117	V	26.6	Very low	34.2	Very low	124 Å²	124	130.3 Å²	130.3	75%	0.752	77%	0.771	S	S	*	*				175.6	125.1	95	156.1	0	0	0	0	105.3
118	S	25.5	Very low	33	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	77%	0.772	S	S	*	*				48.9	150.1	99.5	-33.2	0	0	0	0	115.7
119	S	28.1	Very low	33	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	77%	0.773	S	S	*	*			cis	-160.1	165.7	17.5	-30.6	0	0	0	0	111.9
120	D	32.4	Very low	32.5	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	77%	0.771	S	S	*	*			trans	-62.8	163.9	157.7	-79.3	-60.4	0	0	0	112.4
121	P	46	Very low	32.3	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	77%	0.765	S	S	*	*			cis	-155.3	-179	48.2	44.2	-21.8	0	0	0	120.9
122	D	31.9	Very low	32.2	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	76%	0.761	S	S	*	*			trans	-63.9	-173	160.8	-96.7	-42.4	0	0	0	114.8
123	P	58.9	Low	32.1	Very low	107 Å²	107	126 Å²	126	70%	0.695	76%	0.755	S	S	*	*			cis	-137.5	-163.9	-11.2	23	3	0	0	0	115.6
124	V	29.4	Very low	31.2	Very low	116 Å²	116	126.2 Å²	126.2	70%	0.703	75%	0.754	S	S	*	*			trans	136.3	137.1	130.3	177.4	0	0	0	0	118.6
125	V	33.5	Very low	31.2	Very low	123 Å²	123	128.8 Å²	128.8	75%	0.745	76%	0.762	S	S	*	*			trans	59.7	157.4	168.3	-70.2	0	0	0	0	120.5
126	D	26.1	Very low	31.2	Very low	139 Å²	139	131.5 Å²	131.5	74%	0.743	76%	0.762	S	S	*	*			cis	-163.4	172.4	3.1	-118.2	-5.5	0	0	0	109.2
127	V	28.3	Very low	31.5	Very low	121 Å²	121	130.7 Å²	130.7	73%	0.733	76%	0.763	S	S	*	*			cis	-168.5	165.8	-15.1	69.5	0	0	0	0	111.9
128	A	27	Very low	32.6	Very low	96 Å²	96	130.3 Å²	130.3	79%	0.793	76%	0.763	S	S	*	*			trans	73.7	160.5	152.7	0	0	0	0	0	123
129	Q	29	Very low	32.8	Very low	154 Å²	154	129.2 Å²	129.2	72%	0.72	76%	0.76	S	S	*	*			trans	-128.2	173.5	-172.1	-153.3	-178.6	25.3	0	0	109.1
130	P	42.4	Very low	32.8	Very low	127 Å²	127	130.2 Å²	130.2	83%	0.825	76%	0.762	S	S	*	*				-149.4	-179.8	98.1	38.1	-19.8	0	0	0	115.7
131	Q	28.1	Very low	32.7	Very low	149 Å²	149	127.6 Å²	127.6	70%	0.696	76%	0.756	S	S	*	*			trans	-93.1	162.9	-174.2	-59.6	169.5	-12.5	0	0	112.4
132	T	25.9	Very low	31.9	Very low	134 Å²	134	126 Å²	126	82%	0.822	75%	0.748	S	S	*	*				176.3	175.9	83.6	44.5	0	0	0	0	107.8
133	S	26.7	Very low	31.8	Very low	93 Å²	93	124.6 Å²	124.6	65%	0.65	74%	0.744	S	S	*	*			cis	-158.6	161.4	19.4	65.6	0	0	0	0	114.4
134	T	26.8	Very low	30.6	Very low	129 Å²	129	126.4 Å²	126.4	79%	0.791	75%	0.748	S	S	*	*			trans	65.3	132.3	145.5	48.2	0	0	0	0	123.6
135	D	28	Very low	30.6	Very low	139 Å²	139	127.2 Å²	127.2	74%	0.743	75%	0.748	S	S	*	*			trans	-70	168.4	174.7	-43.7	-104.5	0	0	0	115.8
136	F	27.6	Very low	30.5	Very low	205 Å²	205	128.9 Å²	128.9	90%	0.899	75%	0.748	S	S	*	*				-174.3	158.3	105	-105.5	-77.2	0	0	0	113.2
137	N	33.5	Very low	30.6	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	75%	0.753	S	S	*	*			trans	-135.8	179	177.9	-131.2	-12.4	0	0	0	107.1
138	P	49.7	Very low	30.7	Very low	117 Å²	117	133 Å²	133	76%	0.76	75%	0.752	S	S	*	*			cis	-142.1	-155.9	17.2	43.3	-20.5	0	0	0	116.2
139	A	29	Very low	31.4	Very low	80 Å²	80	133.9 Å²	133.9	66%	0.661	75%	0.75	S	S	*	*			trans	-59.3	171.1	176.9	0	0	0	0	0	115.9
140	T	28.7	Very low	31.4	Very low	133 Å²	133	134.2 Å²	134.2	82%	0.816	75%	0.752	S	S	*	*				-179.7	166.9	69.9	44.2	0	0	0	0	111.3
141	S	30.6	Very low	31.8	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	75%	0.747	S	S	*	*			cis	-176.9	178.6	-18.3	57.6	0	0	0	0	111.8
142	S	29.6	Very low	33	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	75%	0.748	S	S	*	*			trans	69.3	124.5	141.2	54.1	0	0	0	0	125.1
143	T	29.3	Very low	34	Very low	117 Å²	117	131.1 Å²	131.1	72%	0.718	75%	0.747	S	S	*	*			trans	66.5	149	136.9	58.3	0	0	0	0	121.5
144	D	32.3	Very low	34.2	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	76%	0.757	S	S	*	*			cis	-158.5	-154.5	-17.3	-87.1	-24.7	0	0	0	107.2
145	D	31.3	Very low	34.5	Very low	132 Å²	132	133.8 Å²	133.8	71%	0.706	76%	0.756	S	S	*	*			cis	-162.4	-158.9	11.6	-164.6	2.1	0	0	0	111.8
146	Q	30.2	Very low	34.6	Very low	158 Å²	158	136.5 Å²	136.5	74%	0.738	76%	0.764	S	S	*	*			trans	-66.9	173.4	-178.3	-68.2	154.4	90.1	0	0	115.9
147	E	28.7	Very low	34.7	Very low	182 Å²	182	136 Å²	136	85%	0.85	76%	0.761	S	S	*	*			cis	-153.3	-157	19.4	-146.8	-167.7	110.5	0	0	114.4
148	K	29.6	Very low	35.1	Very low	164 Å²	164	133.9 Å²	133.9	71%	0.713	76%	0.755	S	S	*	*			trans	-105.3	-169.7	-172.8	-122.4	-167.4	173.3	-178.9	0	112.1
149	P	41.9	Very low	34.2	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	76%	0.758	S	S	*	*			cis	-136.9	-166	1.4	39.3	-16.1	0	0	0	118
150	Q	30	Very low	34.4	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	76%	0.763	S	S	*	*			trans	-87.4	-166.6	-178.1	-51.7	163.1	-94.8	0	0	114.2
151	P	50.6	Low	34.3	Very low	111 Å²	111	142.5 Å²	142.5	72%	0.721	77%	0.768	S	S	*	*			cis	-132.2	-130.1	-11.9	37.2	-13.7	0	0	0	112.3
152	P	52.7	Low	34.7	Very low	113 Å²	113	145.4 Å²	145.4	73%	0.734	78%	0.775	S	S	*	*				-100.2	-145.1	-67.9	40.4	-24.5	0	0	0	111.4
153	P	48.4	Very low	36.4	Very low	122 Å²	122	146.1 Å²	146.1	79%	0.792	78%	0.777	S	S	*	*			cis	-128.9	-107.1	-11.2	38.6	-15.5	0	0	0	117.1
154	Q	30.5	Very low	37.4	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	78%	0.78	S	S	*	*			trans	-150	147.3	-152.9	-69.8	-179.2	-35.4	0	0	119.6
155	A	32.5	Very low	38.5	Very low	91 Å²	91	145 Å²	145	75%	0.752	78%	0.779	S	S	*	*			trans	57.9	136.4	137.2	0	0	0	0	0	125.5
156	Q	29.2	Very low	39.8	Very low	196 Å²	196	143.8 Å²	143.8	92%	0.916	78%	0.779	S	S	*	*				169.9	173.9	117	-90.5	-175.3	8.5	0	0	115.7
157	K	29.7	Very low	39.9	Very low	195 Å²	195	141.8 Å²	141.8	85%	0.848	78%	0.782	S	S	*	*			trans	-144.5	167.1	174.8	-103.6	-174.1	178.5	-180	0	107
158	P	42.8	Very low	41	Very low	103 Å²	103	139 Å²	139	67%	0.669	78%	0.78	S	S	*	*			cis	-155	-164.9	35.4	44.1	-20.7	0	0	0	118.6
159	Q	31.3	Very low	41.1	Very low	172 Å²	172	138.4 Å²	138.4	80%	0.804	79%	0.785	S	S	*	*			trans	87.6	131.9	142.5	-86.6	169.5	-7	0	0	126.8
160	N	31.8	Very low	41.5	Very low	147 Å²	147	138 Å²	138	79%	0.786	78%	0.782	S	S	*	*			trans	12.2	142.2	151.9	-61	7.7	0	0	0	125.8
161	E	28.2	Very low	41.6	Very low	193 Å²	193	137.3 Å²	137.3	90%	0.902	78%	0.783	S	S	*	*				-173.8	-179.3	102.9	-99	-160.8	140.8	0	0	114.4
162	L	37.6	Very low	42	Very low	160 Å²	160	137.6 Å²	137.6	84%	0.838	79%	0.785	S	S	*	*			trans	-165.6	178.8	-169.6	-156.3	96.1	0	0	0	111.9
163	P	65.4	Low	40.8	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	79%	0.789	S	S	*	*				-92.1	-163.9	-75.2	40.1	-25.1	0	0	0	113.3
164	P	50.6	Low	40.1	Very low	119 Å²	119	137 Å²	137	77%	0.773	79%	0.786	S	S	*	*				-153.5	-144.1	89.6	48	-25.5	0	0	0	114.7
165	P	55.5	Low	40.2	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	79%	0.787	S	S	*	*				-131.6	-134.7	-129.4	40.5	-11.9	0	0	0	117.5
166	P	59	Low	39.8	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	79%	0.792	S	S	*	*				-137.4	173.5	-122.4	42.1	-20.1	0	0	0	121.8
167	S	32.3	Very low	39.9	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	79%	0.789	S	S	*	*			trans	71.9	167.3	158.8	-56.3	0	0	0	0	119.2
168	P	52.6	Low	40.7	Very low	123 Å²	123	135.4 Å²	135.4	80%	0.799	78%	0.779	S	S	*	*			cis	-135.1	-165	2.5	44.1	-24.8	0	0	0	117.4
169	N	30.9	Very low	39.9	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	78%	0.782	S	S	*	*			trans	-86.2	-171.6	176.7	-67	-0.1	0	0	0	113.5
170	P	51	Low	39.7	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	78%	0.782	S	S	*	*			cis	-146	171.9	7.4	45.3	-25.1	0	0	0	121.1
171	D	30.8	Very low	39.5	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	78%	0.778	S	S	*	*			trans	45	170.9	141	-54.4	-15.3	0	0	0	124.6
172	P	59.2	Low	39.4	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	77%	0.774	S	S	*	*				-137.4	-164.9	-57.4	41.2	-23	0	0	0	114.9
173	V	28.4	Very low	39	Very low	133 Å²	133	132.8 Å²	132.8	81%	0.806	78%	0.777	S	S	*	*			trans	135.4	121.7	148.1	171.8	0	0	0	0	118.6
174	A	33.1	Very low	37.1	Very low	89 Å²	89	132.7 Å²	132.7	74%	0.736	78%	0.784	S	S	*	*			trans	39.5	165.9	142.9	0	0	0	0	0	124.4
175	E	31.7	Very low	35.9	Very low	190 Å²	190	131.5 Å²	131.5	89%	0.888	79%	0.785	S	S	*	*			cis	-161.1	-168.2	-10.7	-135.1	-171.1	163.7	0	0	113.9
176	E	25.2	Very low	35.3	Very low	185 Å²	185	131.5 Å²	131.5	86%	0.864	79%	0.785	S	S	*	*			trans	99.2	161.6	160.9	-65.2	-138.2	93.2	0	0	122.8
177	L	30.3	Very low	33.8	Very low	164 Å²	164	131.9 Å²	131.9	86%	0.859	79%	0.79	S	S	*	*			trans	-143.7	-148.3	-151.3	-105.1	169.4	0	0	0	111.3
178	P	46.2	Very low	33.4	Very low	97 Å²	97	131.7 Å²	131.7	63%	0.63	79%	0.789	S	S	*	*			cis	-141.6	-167.5	-0.9	45	-24.8	0	0	0	117.6
179	T	27.2	Very low	33	Very low	121 Å²	121	131.5 Å²	131.5	74%	0.742	79%	0.787	S	S	*	*			trans	68.7	163.1	159.5	57.7	0	0	0	0	119.4
180	T	27.6	Very low	32.8	Very low	129 Å²	129	130.1 Å²	130.1	79%	0.791	79%	0.785	S	S	*	*			cis	-168.7	-179.7	-21.2	33.5	0	0	0	0	108.2
181	S	26.5	Very low	32	Very low	102 Å²	102	133 Å²	133	71%	0.713	79%	0.793	S	S	*	*			cis	-174.1	177.8	-46.8	-168.2	0	0	0	0	110.5
182	T	27.2	Very low	32	Very low	133 Å²	133	131.2 Å²	131.2	82%	0.816	79%	0.79	S	S	*	*			trans	78.2	141	162.9	-51.9	0	0	0	0	119
183	R	27.5	Very low	30.4	Very low	235 Å²	235	132 Å²	132	89%	0.887	79%	0.793	S	S	*	*			cis	178	137.2	-25	171.8	-177.8	174.6	-176.6	-1	110.7
184	A	26.6	Very low	30.3	Very low	102 Å²	102	132.1 Å²	132.1	84%	0.843	79%	0.787	S	S	*	*			trans	171.6	167.4	146.7	0	0	0	0	0	114.3
185	A	25.8	Very low	29.9	Very low	95 Å²	95	135.2 Å²	135.2	79%	0.785	79%	0.786	S	S	*	*			trans	-157	-165.3	-178.6	0	0	0	0	0	109.6
186	P	43	Very low	29.7	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	78%	0.779	S	S	*	*			cis	-140.7	-161.5	-6.3	44.3	-24.5	0	0	0	115.5
187	S	26.2	Very low	30.1	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	77%	0.769	S	S	*	*			trans	123.2	164.5	150.8	75.5	0	0	0	0	119.4
188	S	23.5	Very low	30	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	77%	0.773	S	S	*	*			trans	-150.7	-166.3	-161.4	-27.9	0	0	0	0	110.8
189	P	45.9	Very low	29.1	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	78%	0.775	S	S	*	*			cis	-132.2	-164.4	-40.2	36.7	-17.4	0	0	0	113.3
190	T	26	Very low	29.5	Very low	125 Å²	125	128.5 Å²	128.5	77%	0.767	78%	0.782	S	S	*	*			trans	121.8	148	148	-47.2	0	0	0	0	118.8
191	L	35	Very low	29.6	Very low	164 Å²	164	130.3 Å²	130.3	86%	0.859	79%	0.786	S	S	*	*			trans	-144.9	137.9	175.3	-83.9	173.9	0	0	0	113.7
192	P	30.6	Very low	29.6	Very low	110 Å²	110	131 Å²	131	71%	0.714	79%	0.791	S	S	*	*			trans	-129.1	152	147.3	13.1	10.3	0	0	0	111.8
193	V	24.1	Very low	29.8	Very low	135 Å²	135	135.5 Å²	135.5	82%	0.818	80%	0.795	S	S	*	*			cis	84.5	124.7	49.1	168	0	0	0	0	113.8
194	I	26.2	Very low	29.9	Very low	135 Å²	135	130.1 Å²	130.1	69%	0.692	79%	0.79	S	S	*	*			cis	-169.2	159.9	-15.4	-160.6	170.6	0	0	0	112.2
195	Q	25.8	Very low	30.3	Very low	154 Å²	154	134 Å²	134	72%	0.72	79%	0.788	S	S	*	*			trans	68	168.3	162.8	-90.6	171.7	-98.1	0	0	118.9
196	E	26.6	Very low	30.5	Very low	155 Å²	155	135.6 Å²	135.6	72%	0.724	79%	0.79	S	S	*	*			cis	-151.5	-168	17.6	-109.5	-125.7	129	0	0	110.6
197	P	33.3	Very low	29.8	Very low	102 Å²	102	139 Å²	139	66%	0.662	79%	0.793	S	S	*	*			cis	-129.1	-165	-16.3	33.4	-11.5	0	0	0	113.9
198	V	29.6	Very low	30.1	Very low	155 Å²	155	139.2 Å²	139.2	94%	0.939	79%	0.791	S	S	*	*			trans	-146.9	142.6	-178.6	174.4	0	0	0	0	115.1
199	G	27.1	Very low	30.6	Very low	66 Å²	66	137.4 Å²	137.4	68%	0.68	78%	0.784	S	S	*	*			trans	151.1	166.7	153.1	0	0	0	0	0	115.8
200	P	35.8	Very low	30	Very low	137 Å²	137	137.2 Å²	137.2	89%	0.89	78%	0.782	S	S	*	*			cis	-122.2	-156	-9.1	41.7	-26	0	0	0	113.3
201	L	29.9	Very low	30.5	Very low	168 Å²	168	138 Å²	138	88%	0.88	78%	0.781	S	S	*	*			trans	-97.4	158.6	-165.3	-71.4	166.3	0	0	0	116.3
202	S	26.7	Very low	31	Very low	116 Å²	116	132 Å²	132	81%	0.811	75%	0.752	S	S	*	*			trans	-147.1	152.1	158.1	-92.6	0	0	0	0	112.1
203	Y	30.1	Very low	31.4	Very low	228 Å²	228	132 Å²	132	89%	0.894	75%	0.745	S	S	*	*			trans	-70.2	134.3	-174.7	-65.1	-91.8	0	0	0	112.4	K205	Y203-K205 PolarHBondContact O-N 3.42Å
204	P	29.7	Very low	32.2	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	73%	0.729	S	S	*	*			trans	-74.4	109.1	176	29.5	-33.2	0	0	0	111.2
205	K	34.5	Very low	32.9	Very low	184 Å²	184	126 Å²	126	80%	0.8	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-55.5	153.8	152.8	-74.4	179.8	178.9	175	0	109.2	Y203 K207	Y203-K205 PolarHBondContact O-N 3.42Å; K205-K207 PolarHBondContact O-N 2.99Å
206	P	30.5	Very low	33.9	Very low	127 Å²	127	119.5 Å²	119.5	83%	0.825	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-55.7	126.6	172.6	24.6	-34.1	0	0	0	109.5
207	K	28.9	Very low	34.6	Very low	192 Å²	192	116.2 Å²	116.2	84%	0.835	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-63.7	139.8	179.7	-65.4	-174.2	175.8	-171.4	0	109.8	K205	K205-K207 PolarHBondContact O-N 2.99Å
208	P	32.4	Very low	34.8	Very low	118 Å²	118	113.7 Å²	113.7	77%	0.766	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-59.3	160	158.8	29	-33.8	0	0	0	109.9
209	A	32.9	Very low	35.2	Very low	75 Å²	75	107.7 Å²	107.7	62%	0.62	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-63.2	148.8	172.9	0	0	0	0	0	110.4
210	P	33.3	Very low	35.8	Very low	114 Å²	114	105.7 Å²	105.7	74%	0.74	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-62.6	146.8	175.4	28.1	-35.3	0	0	0	111	T212	P210-T212 PolarHBondContact O-N 3.31Å; P210-T212 PolarHBondContact O-OG1 3.19Å
211	D	37.6	Very low	35.9	Very low	140 Å²	140	105.6 Å²	105.6	75%	0.749	59%	0.586	S	S	*	*			trans	-61.1	95.1	-168.8	-60.9	-75.1	0	0	0	113.5	L213 S214	D211-L213 PolarHBondContact O-N 3.23Å; D211-L213 VanDerWaalsContact O-N 3.07Å; D211-S214 WeakPolarHBondContact O-CB 3.39Å; D211-S214 PolarHBondContact O-N 3.04Å; D211-S214 VanDerWaalsContact O-N 3.08Å
212	T	44.8	Very low	36.1	Very low	39 Å²	39	102.7 Å²	102.7	24%	0.239	57%	0.57	C	S	.	*	H	α-helix	trans	-67.1	-14.2	-169.9	-17.8	0	0	0	0	114	P210 Y215 L433	P210-T212 PolarHBondContact O-N 3.31Å; P210-T212 PolarHBondContact O-OG1 3.19Å; T212-Y215 PolarHBondContact O-N 3.11Å; T212-L433 HydrophobicContact CG2-CD1 4.21Å
213	L	40.1	Very low	36.7	Very low	109 Å²	109	100.5 Å²	100.5	57%	0.571	55%	0.554	S	S	*	*	H	α-helix	trans	-71.3	-36.3	173.4	-68.5	173.9	0	0	0	112.1	D211 Y215 L216 D217	D211-L213 PolarHBondContact O-N 3.23Å; D211-L213 VanDerWaalsContact O-N 3.07Å; L213-Y215 PolarHBondContact O-N 3.12Å; L213-Y215 VanDerWaalsContact O-N 3.17Å; L213-L216 HydrophobicContact CD2-CD1 4.4Å; L213-L216 WeakPolarHBondContact O-CB 3.41Å; L213-L216 PolarHBondContact O-N 3.39Å; L213-D217 PolarHBondContact O-N 3.26Å; L213-D217 VanDerWaalsContact O-N 3.15Å
214	S	39.4	Very low	37	Very low	70 Å²	70	93.1 Å²	93.1	49%	0.49	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-26	176.1	177.9	0	0	0	0	112.1	D211 S218	D211-S214 WeakPolarHBondContact O-CB 3.39Å; D211-S214 PolarHBondContact O-N 3.04Å; D211-S214 VanDerWaalsContact O-N 3.08Å; S214-S218 VanDerWaalsContact O-CB 3.26Å; S214-S218 WeakPolarHBondContact O-CB 3.47Å; S214-S218 PolarHBondContact O-N 3.37Å; S214-S218 PolarHBondContact O-OG 2.64Å
215	Y	42.6	Very low	37.5	Very low	75 Å²	75	91.8 Å²	91.8	29%	0.294	54%	0.537	S	S	.	.	H	α-helix	trans	-70.7	-36.5	173.8	-171.9	-99.5	0	0	0	113.3	T212 L213 A219 L467	T212-Y215 PolarHBondContact O-N 3.11Å; L213-Y215 PolarHBondContact O-N 3.12Å; L213-Y215 VanDerWaalsContact O-N 3.17Å; Y215-A219 VanDerWaalsContact O-CB 3.23Å; Y215-A219 WeakPolarHBondContact O-CB 3.48Å; Y215-A219 PolarHBondContact O-N 3.47Å; Y215-L467 HydrophobicContact CE2-CD2 4.16Å; Y215-L467 WeakPolarHBondContact OH-CA 3.41Å; Y215-L467 PolarHBondContact OH-O 3.03Å; Y215-L467 VanDerWaalsContact OH-O 3.12Å
216	L	46.3	Very low	37.5	Very low	18 Å²	18	88.2 Å²	88.2	9%	0.094	53%	0.526	C	S	.	.	H	α-helix	trans	-66.8	-44.6	174	-69.8	177.9	0	0	0	110.8	L213 A219 S220 Q395 L433 T470 M474	L213-L216 HydrophobicContact CD2-CD1 4.4Å; L213-L216 WeakPolarHBondContact O-CB 3.41Å; L213-L216 PolarHBondContact O-N 3.39Å; L216-A219 PolarHBondContact O-N 3.31Å; L216-A219 VanDerWaalsContact O-N 3.14Å; L216-S220 PolarHBondContact O-N 2.97Å; L216-Q395 PolarHBondContact O-OE1 3.18Å; L216-L433 HydrophobicContact CD1-CD1 3.99Å; L216-L433 HydrophobicContact CD1-CD2 4.37Å; L216-L433 HydrophobicContact CG-CD1 4.22Å; L216-T470 HydrophobicContact CD2-CG2 3.55Å; L216-M474 HydrophobicContact CD1-CE 4.27Å; L216-M474 HydrophobicContact CD2-SD 4.28Å
217	D	40.6	Very low	37.7	Very low	86 Å²	86	90.3 Å²	90.3	46%	0.46	53%	0.525	S	S	.	.	H	α-helix	trans	-60.7	-49.8	178.1	-160	35.3	0	0	0	111.4	L213 A219 S220 L221	L213-D217 PolarHBondContact O-N 3.26Å; L213-D217 VanDerWaalsContact O-N 3.15Å; D217-A219 VanDerWaalsContact C-N 3.27Å; D217-A219 PolarHBondContact O-N 3Å; D217-S220 PolarHBondContact O-N 3.33Å; D217-S220 VanDerWaalsContact O-N 3.16Å; D217-L221 PolarHBondContact O-N 3.05Å; D217-L221 VanDerWaalsContact O-N 3.09Å
218	S	38	Very low	37.9	Very low	49 Å²	49	86.3 Å²	86.3	34%	0.343	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-33.6	173.5	-58.3	0	0	0	0	113.3	S214 M222	S214-S218 VanDerWaalsContact O-CB 3.26Å; S214-S218 WeakPolarHBondContact O-CB 3.47Å; S214-S218 PolarHBondContact O-N 3.37Å; S214-S218 PolarHBondContact O-OG 2.64Å; S218-M222 VanDerWaalsContact O-CE 3.25Å; S218-M222 WeakPolarHBondContact O-CE 3.39Å; S218-M222 PolarHBondContact O-N 3.11Å
219	A	36.9	Very low	38.2	Very low	29 Å²	29	86.4 Å²	86.4	24%	0.24	52%	0.515	C	S	.	.	H	α-helix	trans	-74.6	-38.1	176.4	0	0	0	0	0	111.9	Y215 L216 D217 L221 M222	Y215-A219 VanDerWaalsContact O-CB 3.23Å; Y215-A219 WeakPolarHBondContact O-CB 3.48Å; Y215-A219 PolarHBondContact O-N 3.47Å; L216-A219 PolarHBondContact O-N 3.31Å; L216-A219 VanDerWaalsContact O-N 3.14Å; D217-A219 VanDerWaalsContact C-N 3.27Å; D217-A219 PolarHBondContact O-N 3Å; A219-L221 VanDerWaalsContact C-N 3.28Å; A219-L221 PolarHBondContact O-N 3.26Å; A219-M222 PolarHBondContact O-N 3.26Å
220	S	40.8	Very low	38.3	Very low	23 Å²	23	88.2 Å²	88.2	16%	0.161	52%	0.523	C	S	.	.	H	α-helix	trans	-68.5	-26.3	177.3	-169	0	0	0	0	112.8	L216 D217 R358	L216-S220 PolarHBondContact O-N 2.97Å; D217-S220 PolarHBondContact O-N 3.33Å; D217-S220 VanDerWaalsContact O-N 3.16Å; S220-R358 PolarHBondContact OG-NE 3.29Å
221	L	38.5	Very low	38.2	Very low	135 Å²	135	86.1 Å²	86.1	71%	0.707	52%	0.522	S	S	*	.	H	α-helix	trans	-80.8	-19.7	175	-70.8	168.8	0	0	0	113.8	D217 A219	D217-L221 PolarHBondContact O-N 3.05Å; D217-L221 VanDerWaalsContact O-N 3.09Å; A219-L221 VanDerWaalsContact C-N 3.28Å; A219-L221 PolarHBondContact O-N 3.26Å
222	M	32.7	Very low	38.1	Very low	108 Å²	108	87.2 Å²	87.2	53%	0.532	53%	0.527	S	S	.	.			trans	-94.5	9.2	-178.9	-77.7	-169.1	-75.6	0	0	114.6	S218 A219 G224	S218-M222 VanDerWaalsContact O-CE 3.25Å; S218-M222 WeakPolarHBondContact O-CE 3.39Å; S218-M222 PolarHBondContact O-N 3.11Å; A219-M222 PolarHBondContact O-N 3.26Å; M222-G224 PolarHBondContact O-N 2.81Å; M222-G224 VanDerWaalsContact O-N 3.13Å
223	S	39.2	Very low	37.6	Very low	70 Å²	70	88.8 Å²	88.8	49%	0.49	55%	0.551	S	S	.	*	S	Bend	trans	-81.5	84.2	171.6	-173.8	0	0	0	0	109.8	T225	S223-T225 PolarHBondContact O-N 3.02Å
224	G	37	Very low	37.7	Very low	73 Å²	73	93.5 Å²	93.5	75%	0.753	57%	0.57	S	S	*	*	S	Bend	trans	-61.9	96.1	-168.4	0	0	0	0	0	115.4	M222	M222-G224 PolarHBondContact O-N 2.81Å; M222-G224 VanDerWaalsContact O-N 3.13Å
225	T	39.4	Very low	37.6	Very low	94 Å²	94	97.4 Å²	97.4	58%	0.577	59%	0.585	S	S	*	*			trans	-152.8	9.9	163.3	-30.6	0	0	0	0	112.7	S223 F362	S223-T225 PolarHBondContact O-N 3.02Å; T225-F362 HydrophobicContact CG2-CE2 4.44Å; T225-F362 HydrophobicContact CG2-CZ 4.46Å
226	L	35.8	Very low	37.7	Very low	108 Å²	108	98 Å²	98	57%	0.565	61%	0.614	S	S	*	*			trans	-92.8	-20.5	-170.7	-125.5	176.2	0	0	0	114.6	S228 L229	L226-S228 PolarHBondContact O-N 2.98Å; L226-L229 HydrophobicContact CD2-CB 4.19Å; L226-L229 HydrophobicContact CD2-CD1 4.07Å; L226-L229 HydrophobicContact CD2-CG 4.5Å; L226-L229 PolarHBondContact O-N 3.46Å
227	E	33.9	Very low	37.5	Very low	171 Å²	171	102.3 Å²	102.3	80%	0.799	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-6.9	-179.8	-113	72.5	-173.8	0	0	115.9
228	S	33.8	Very low	38.1	Very low	108 Å²	108	103.1 Å²	103.1	76%	0.755	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	3.7	-179.3	-53.7	0	0	0	0	114.9	L226	L226-S228 PolarHBondContact O-N 2.98Å
229	L	38.3	Very low	38	Very low	121 Å²	121	107.3 Å²	107.3	63%	0.634	68%	0.681	S	S	*	*	S	Bend	trans	-104.3	-0.1	179.3	-66.8	-178.5	0	0	0	114.9	L226 G231	L226-L229 HydrophobicContact CD2-CB 4.19Å; L226-L229 HydrophobicContact CD2-CD1 4.07Å; L226-L229 HydrophobicContact CD2-CG 4.5Å; L226-L229 PolarHBondContact O-N 3.46Å; L229-G231 PolarHBondContact O-N 3.48Å
230	S	35.2	Very low	38.7	Very low	112 Å²	112	109.7 Å²	109.7	78%	0.783	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	11.2	176	45.4	0	0	0	0	114.5
231	G	31.7	Very low	38.6	Very low	71 Å²	71	113.7 Å²	113.7	73%	0.732	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	4.2	-172.1	0	0	0	0	0	116.6	L229	L229-G231 PolarHBondContact O-N 3.48Å
232	L	35.6	Very low	38.9	Very low	163 Å²	163	113.6 Å²	113.6	85%	0.853	74%	0.737	S	S	*	*	S	Bend	trans	-115.6	115	172.3	-79.8	166	0	0	0	108.6
233	G	34	Very low	39.4	Very low	71 Å²	71	113.3 Å²	113.3	73%	0.732	75%	0.746	S	S	*	*			trans	-81.7	-179.7	-169.4	0	0	0	0	0	115
234	E	42.1	Very low	39.6	Very low	209 Å²	209	117.6 Å²	117.6	98%	0.977	76%	0.758	S	S	*	*			trans	-87.5	99	174.9	-68.7	165.7	81.2	0	0	111.4
235	D	36.9	Very low	40.1	Very low	151 Å²	151	121.6 Å²	121.6	81%	0.807	76%	0.761	S	S	*	*			trans	-141.4	101.3	156.1	58.2	-12.4	0	0	0	112.8	S237	D235-S237 PolarHBondContact O-N 3.25Å
236	G	45.7	Very low	40.2	Very low	88 Å²	88	123.9 Å²	123.9	91%	0.907	77%	0.77	S	S	*	*			trans	-93.2	82.9	175.7	0	0	0	0	0	112.9
237	S	42.2	Very low	40.4	Very low	109 Å²	109	120.9 Å²	120.9	76%	0.762	77%	0.765	S	S	*	*			trans	-173.8	146.8	147.3	-160.9	0	0	0	0	114.3	D235	D235-S237 PolarHBondContact O-N 3.25Å
238	S	51.6	Low	41	Very low	103 Å²	103	119 Å²	119	72%	0.72	76%	0.76	S	S	*	*			trans	48.7	91.9	144.9	-179.3	0	0	0	0	119.9
239	V	37.2	Very low	41.6	Very low	136 Å²	136	119.9 Å²	119.9	82%	0.824	76%	0.76	S	S	*	*				-138.2	126.5	121.7	-160.7	0	0	0	0	109.7
240	G	50.4	Low	42.2	Very low	80 Å²	80	120.9 Å²	120.9	83%	0.825	77%	0.765	S	S	*	*			trans	-105.9	104.3	158.5	0	0	0	0	0	108.7
241	S	40.1	Very low	43.4	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	76%	0.763	S	S	*	*			trans	-157.1	153.3	169.3	-156.7	0	0	0	0	111.1
242	D	45.1	Very low	45.7	Very low	133 Å²	133	129.9 Å²	129.9	71%	0.711	76%	0.76	S	S	*	*			trans	-60.8	134.5	-172.4	-175.2	3.6	0	0	0	113.1	E244	D242-E244 PolarHBondContact OD1-N 2.96Å
243	S	41.8	Very low	48.1	Very low	101 Å²	101	124.3 Å²	124.3	71%	0.706	73%	0.733	S	S	*	*			trans	-163.3	35.5	171.8	-79	0	0	0	0	112.3	I245	S243-I245 PolarHBondContact O-N 2.85Å; S243-I245 VanDerWaalsContact O-N 3.17Å
244	E	44.5	Very low	50.7	Low	160 Å²	160	121.5 Å²	121.5	75%	0.748	70%	0.701	S	S	*	*	H	α-helix	trans	-64.5	-23.7	-172.7	-65.4	-152.3	116.6	0	0	114.4	D242 N246	D242-E244 PolarHBondContact OD1-N 2.96Å; E244-N246 PolarHBondContact O-N 3.31Å
245	I	47.3	Very low	52.9	Low	158 Å²	158	117.6 Å²	117.6	81%	0.81	68%	0.681	S	S	*	*	H	α-helix	trans	-76.7	-24.1	-163.4	-147	68.5	0	0	0	115.7	S243	S243-I245 PolarHBondContact O-N 2.85Å; S243-I245 VanDerWaalsContact O-N 3.17Å
246	N	40.6	Very low	55.4	Low	142 Å²	142	111.9 Å²	111.9	76%	0.759	65%	0.648	S	S	*	*	H	α-helix	trans	-114.1	-10.2	-179.1	-85.7	-1.9	0	0	0	114.5	E244	E244-N246 PolarHBondContact O-N 3.31Å
247	G	41.4	Very low	57.6	Low	45 Å²	45	107.8 Å²	107.8	46%	0.464	61%	0.606	S	S	.	*	H	α-helix	trans	-81.5	-22.6	-176.9	0	0	0	0	0	115.4	T249 L250	G247-T249 VanDerWaalsContact C-N 3.32Å; G247-T249 PolarHBondContact O-N 3.11Å; G247-L250 PolarHBondContact O-N 3.07Å
248	L	44.8	Very low	60	Low	132 Å²	132	103 Å²	103	69%	0.691	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-27.5	-169.5	-78.2	163	0	0	0	114.8
249	T	46.8	Very low	61.7	Low	125 Å²	125	99.5 Å²	99.5	77%	0.767	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-32.1	-178.2	46	0	0	0	0	113.2	G247	G247-T249 VanDerWaalsContact C-N 3.32Å; G247-T249 PolarHBondContact O-N 3.11Å
250	L	50.8	Low	63.6	Low	142 Å²	142	95.2 Å²	95.2	74%	0.743	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-21.4	-178.8	-170.3	61	0	0	0	113	G247	G247-L250 PolarHBondContact O-N 3.07Å
251	R	61.5	Low	64.3	Low	195 Å²	195	91.9 Å²	91.9	74%	0.736	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	9.8	-179.7	-78.4	-75	167.9	90.9	-1	114.5	T253	R251-T253 PolarHBondContact O-N 3.44Å
252	R	78.6	Confident	65.2	Low	178 Å²	178	91.2 Å²	91.2	67%	0.672	48%	0.482	S	S	*	.			trans	-70.3	114.4	175.4	-173.5	171.8	-173.9	162	4.4	111.3	G260 G261	R252-G260 PolarHBondContact O-N 3.17Å; R252-G261 PolarHBondContact O-N 3.42Å
253	T	87.1	Confident	65.9	Low	45 Å²	45	90.9 Å²	90.9	28%	0.276	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-77.7	153.4	165.3	44	0	0	0	0	112	R251 G257 F258 L259 E364	R251-T253 PolarHBondContact O-N 3.44Å; T253-G257 WeakPolarHBondContact CG2-O 3.38Å; T253-F258 CarbonylContact C-O 3.53Å; T253-F258 VanDerWaalsContact CA-O 3.26Å; T253-F258 WeakPolarHBondContact CA-O 3.42Å; T253-L259 HydrophobicContact CG2-CD2 3.68Å; T253-L259 HydrophobicContact CG2-CG 4.19Å; T253-E364 HydrophobicContact CG2-CB 3.98Å; T253-E364 HydrophobicContact CG2-CG 4.39Å
254	D	88.6	Confident	66.7	Low	12 Å²	12	89.6 Å²	89.6	6%	0.064	46%	0.456	C	S	.	.			trans	-78.6	176.8	162.7	82.2	-11	0	0	0	111.2	Y256 G257 F258 S265	D254-Y256 PolarHBondContact O-N 2.68Å; D254-Y256 VanDerWaalsContact OD1-CA 3.31Å; D254-Y256 WeakPolarHBondContact OD1-CA 3.43Å; D254-Y256 WeakPolarHBondContact OD1-CB 3.43Å; D254-Y256 PolarHBondContact OD1-N 3.24Å; D254-G257 PolarHBondContact O-N 2.88Å; D254-G257 PolarHBondContact OD1-N 3.47Å; D254-G257 VanDerWaalsContact OD1-N 3.11Å; D254-F258 PolarHBondContact N-O 2.93Å; D254-F258 PolarHBondContact OD1-N 3.43Å; D254-S265 VanDerWaalsContact OD2-CB 3.29Å; D254-S265 WeakPolarHBondContact OD2-CB 3.21Å; D254-S265 PolarHBondContact OD2-N 3.2Å; D254-S265 PolarHBondContact OD2-OG 2.98Å
255	K	87.1	Confident	67.5	Low	127 Å²	127	82.4 Å²	82.4	55%	0.552	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	2.9	178.2	62.1	155.9	-163.1	171	0	114.9	E269	K255-E269 VanDerWaalsContact NZ-CD 3.31Å; K255-E269 IonicContact NZ-OE1 3.96Å; K255-E269 PolarHBondContact NZ-OE1 3.22Å; K255-E269 IonicContact NZ-OE2 2.7Å; K255-E269 PolarHBondContact NZ-OE2 2.97Å
256	Y	89.8	Confident	68	Low	32 Å²	32	77.8 Å²	77.8	13%	0.125	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	6	178.7	-63.2	-59.6	0	0	0	112.4	D254 H363 W483 S484 L487	D254-Y256 PolarHBondContact O-N 2.68Å; D254-Y256 VanDerWaalsContact OD1-CA 3.31Å; D254-Y256 WeakPolarHBondContact OD1-CA 3.43Å; D254-Y256 WeakPolarHBondContact OD1-CB 3.43Å; D254-Y256 PolarHBondContact OD1-N 3.24Å; Y256-H363 PolarHBondContact O-CD2 2.89Å; Y256-H363 VanDerWaalsContact O-CD2 3.28Å; Y256-H363 PolarHBondContact O-NE2 2.63Å; Y256-H363 VanDerWaalsContact O-NE2 3.1Å; Y256-W483 AromaticContact CD1-CD1 3.52Å; Y256-W483 AromaticContact CD1-NE1 3.74Å; Y256-W483 AromaticContact CD2-CD1 3.58Å; Y256-W483 HydrophobicContact CD2-CG 4.43Å; Y256-W483 AromaticContact CE1-CD1 3.94Å; Y256-W483 AromaticContact CE2-CD1 3.98Å; Y256-W483 AromaticContact CG-CD1 3.31Å; Y256-W483 HydrophobicContact CG-CG 4.44Å; Y256-W483 AromaticContact CG-NE1 3.82Å; Y256-S484 WeakPolarHBondContact OH-CB 3.28Å; Y256-L487 HydrophobicContact CD1-CD1 4.04Å; Y256-L487 HydrophobicContact CE1-CD1 3.41Å; Y256-L487 VanDerWaalsContact CE1-CD1 3.41Å
257	G	91.6	Very high	68.5	Low	2 Å²	2	75.3 Å²	75.3	2%	0.021	39%	0.394	C	S	.	.	S	Bend	trans	87.2	7.2	178.4	0	0	0	0	0	115	T253 D254 H363 E364	T253-G257 WeakPolarHBondContact CG2-O 3.38Å; D254-G257 PolarHBondContact O-N 2.88Å; D254-G257 PolarHBondContact OD1-N 3.47Å; D254-G257 VanDerWaalsContact OD1-N 3.11Å; G257-H363 CarbonylContact O-C 3.57Å; G257-H363 WeakPolarHBondContact O-CA 3.4Å; G257-E364 VanDerWaalsContact CA-OE1 3.24Å; G257-E364 WeakPolarHBondContact CA-OE1 3.34Å; G257-E364 PolarHBondContact O-N 3.05Å
258	F	92.1	Very high	69	Low	7 Å²	7	75.4 Å²	75.4	3%	0.031	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-91.8	129.7	-178.8	-69.8	-91.6	0	0	0	113.4	T253 D254 Y264 F360 F362 H363 M406 W483	T253-F258 CarbonylContact C-O 3.53Å; T253-F258 VanDerWaalsContact CA-O 3.26Å; T253-F258 WeakPolarHBondContact CA-O 3.42Å; D254-F258 PolarHBondContact N-O 2.93Å; D254-F258 PolarHBondContact OD1-N 3.43Å; F258-Y264 HydrophobicContact CB-CD2 3.39Å; F258-Y264 HydrophobicContact CB-CE2 4.17Å; F258-Y264 HydrophobicContact CB-CG 3.8Å; F258-Y264 HydrophobicContact CD1-CD1 4.27Å; F258-Y264 AromaticContact CD1-CD2 3.93Å; F258-Y264 HydrophobicContact CD1-CD2 3.93Å; F258-Y264 HydrophobicContact CD1-CE2 4.22Å; F258-Y264 AromaticContact CD1-CG 3.94Å; F258-Y264 HydrophobicContact CD1-CG 3.94Å; F258-Y264 AromaticContact CG-CD2 3.87Å; F258-Y264 HydrophobicContact CG-CD2 3.87Å; F258-Y264 AromaticContact CG-CG 3.86Å; F258-Y264 HydrophobicContact CG-CG 3.86Å; F258-F360 HydrophobicContact CE1-CB 4.31Å; F258-F360 AromaticContact CE1-CD1 3.93Å; F258-F360 HydrophobicContact CE1-CD1 3.93Å; F258-F360 AromaticContact CZ-CD1 3.99Å; F258-F360 HydrophobicContact CZ-CD1 3.99Å; F258-F362 CarbonylContact C-O 3.57Å; F258-H363 HydrophobicContact CD1-CB 3.9Å; F258-H363 AromaticContact CD2-CD2 3.91Å; F258-H363 HydrophobicContact CE1-CB 3.82Å; F258-H363 AromaticContact CE2-CD2 3.72Å; F258-H363 HydrophobicContact CG-CB 4.44Å; F258-H363 HydrophobicContact CZ-CB 4.29Å; F258-H363 AromaticContact CZ-CD2 3.9Å; F258-M406 HydrophobicContact CZ-CE 4.24Å; F258-W483 HydrophobicContact CE2-CB 4.27Å; F258-W483 AromaticContact CE2-CD1 3.99Å; F258-W483 AromaticContact CE2-CD2 3.7Å; F258-W483 HydrophobicContact CE2-CD2 3.7Å; F258-W483 AromaticContact CE2-CE2 3.93Å; F258-W483 HydrophobicContact CE2-CE3 4.17Å; F258-W483 AromaticContact CE2-CG 3.74Å; F258-W483 HydrophobicContact CE2-CG 3.74Å; F258-W483 HydrophobicContact CZ-CD2 4.01Å; F258-W483 AromaticContact CZ-CE3 3.99Å; F258-W483 HydrophobicContact CZ-CE3 3.99Å; F258-W483 HydrophobicContact CZ-CG 4.39Å; F258-W483 HydrophobicContact CZ-CZ3 4.37Å
259	L	89.3	Confident	69.6	Low	30 Å²	30	72 Å²	72	16%	0.157	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-71.8	153.4	178.4	-63	166.7	0	0	0	112.5	T253 G261 Q263 F362 A367	T253-L259 HydrophobicContact CG2-CD2 3.68Å; T253-L259 HydrophobicContact CG2-CG 4.19Å; L259-G261 VanDerWaalsContact C-N 3.35Å; L259-Q263 PolarHBondContact O-NE2 3.13Å; L259-F362 VanDerWaalsContact CB-O 3.25Å; L259-F362 WeakPolarHBondContact CB-O 3.28Å; L259-F362 WeakPolarHBondContact CG-O 3.44Å; L259-F362 PolarHBondContact N-O 3.16Å; L259-A367 HydrophobicContact CD1-CB 3.8Å
260	G	76.6	Confident	70.3	Confident	47 Å²	47	75.5 Å²	75.5	49%	0.485	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	13.3	-173.1	0	0	0	0	0	113.7	R252	R252-G260 PolarHBondContact O-N 3.17Å
261	G	64.4	Low	71.2	Confident	10 Å²	10	77.1 Å²	77.1	10%	0.103	38%	0.384	C	S	.	.	S	Bend	trans	68.7	-145.7	174	0	0	0	0	0	114.5	R252 L259 Q263	R252-G261 PolarHBondContact O-N 3.42Å; L259-G261 VanDerWaalsContact C-N 3.35Å; G261-Q263 PolarHBondContact O-N 2.9Å
262	N	59	Low	72	Confident	92 Å²	92	70.6 Å²	70.6	49%	0.492	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	30.7	-166.4	-58.3	12.6	0	0	0	115.5	S265 S267	N262-S265 CarbonylContact C-O 3.54Å; N262-S267 WeakPolarHBondContact CB-OG 3.31Å; N262-S267 PolarHBondContact ND2-OG 3.45Å
263	Q	59.4	Low	72.4	Confident	127 Å²	127	72.2 Å²	72.2	59%	0.593	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-21	170.4	58	-176	8.7	0	0	112.4	L259 G261	L259-Q263 PolarHBondContact O-NE2 3.13Å; G261-Q263 PolarHBondContact O-N 2.9Å
264	Y	60.1	Low	72.4	Confident	74 Å²	74	75.5 Å²	75.5	29%	0.29	39%	0.392	S	S	.	.	S	Bend	trans	-104.1	-17.3	175	-62.7	-74.1	0	0	0	114.3	F258 F362	F258-Y264 HydrophobicContact CB-CD2 3.39Å; F258-Y264 HydrophobicContact CB-CE2 4.17Å; F258-Y264 HydrophobicContact CB-CG 3.8Å; F258-Y264 HydrophobicContact CD1-CD1 4.27Å; F258-Y264 AromaticContact CD1-CD2 3.93Å; F258-Y264 HydrophobicContact CD1-CD2 3.93Å; F258-Y264 HydrophobicContact CD1-CE2 4.22Å; F258-Y264 AromaticContact CD1-CG 3.94Å; F258-Y264 HydrophobicContact CD1-CG 3.94Å; F258-Y264 AromaticContact CG-CD2 3.87Å; F258-Y264 HydrophobicContact CG-CD2 3.87Å; F258-Y264 AromaticContact CG-CG 3.86Å; F258-Y264 HydrophobicContact CG-CG 3.86Å; Y264-F362 HydrophobicContact CE2-CB 4.06Å; Y264-F362 WeakPolarHBondContact OH-CD2 3.48Å
265	S	60.1	Low	72.5	Confident	9 Å²	9	80 Å²	80	6%	0.063	41%	0.412	C	S	.	.	S	Bend	trans	-116.5	124.2	171.8	63.3	0	0	0	0	111.4	D254 N262 S267	D254-S265 VanDerWaalsContact OD2-CB 3.29Å; D254-S265 WeakPolarHBondContact OD2-CB 3.21Å; D254-S265 PolarHBondContact OD2-N 3.2Å; D254-S265 PolarHBondContact OD2-OG 2.98Å; N262-S265 CarbonylContact C-O 3.54Å; S265-S267 PolarHBondContact O-N 3.17Å
266	D	58.9	Low	72.7	Confident	60 Å²	60	76.9 Å²	76.9	32%	0.321	40%	0.404	S	S	.	.			trans	-58.8	118.7	179.4	169.5	26.9	0	0	0	111.3	G268 E269 R541	D266-G268 PolarHBondContact O-N 2.63Å; D266-G268 VanDerWaalsContact O-N 3.1Å; D266-G268 WeakPolarHBondContact OD1-CA 3.5Å; D266-G268 PolarHBondContact OD1-N 3.16Å; D266-E269 HydrophobicContact CB-CG 4.17Å; D266-E269 VanDerWaalsContact O-CB 3.31Å; D266-E269 WeakPolarHBondContact O-CB 3.4Å; D266-E269 WeakPolarHBondContact O-CG 3.43Å; D266-E269 PolarHBondContact O-N 2.95Å; D266-R541 IonicContact OD1-NH1 3.3Å; D266-R541 IonicContact OD2-CZ 2.99Å; D266-R541 IonicContact OD2-NH1 2.77Å; D266-R541 PolarHBondContact OD2-NH1 3.34Å; D266-R541 IonicContact OD2-NH2 2.94Å; D266-R541 PolarHBondContact OD2-NH2 3.48Å; D266-R541 VanDerWaalsContact OD2-NH2 3.15Å
267	S	50	Low	72.6	Confident	91 Å²	91	76.9 Å²	76.9	64%	0.636	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.9	177.1	-66	0	0	0	0	113.4	N262 S265	N262-S267 WeakPolarHBondContact CB-OG 3.31Å; N262-S267 PolarHBondContact ND2-OG 3.45Å; S265-S267 PolarHBondContact O-N 3.17Å
268	G	53.3	Low	72.7	Confident	46 Å²	46	84.1 Å²	84.1	47%	0.474	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.4	169.3	0	0	0	0	0	115.1	D266 K270	D266-G268 PolarHBondContact O-N 2.63Å; D266-G268 VanDerWaalsContact O-N 3.1Å; D266-G268 WeakPolarHBondContact OD1-CA 3.5Å; D266-G268 PolarHBondContact OD1-N 3.16Å; G268-K270 PolarHBondContact O-N 3.35Å; G268-K270 VanDerWaalsContact O-N 3.11Å
269	E	57.2	Low	72.8	Confident	61 Å²	61	87.6 Å²	87.6	29%	0.285	45%	0.453	S	S	.	.			trans	-60.4	114.1	175.6	-83.9	-165.7	-146.4	0	0	111.5	K255 D266 E271 S484	K255-E269 VanDerWaalsContact NZ-CD 3.31Å; K255-E269 IonicContact NZ-OE1 3.96Å; K255-E269 PolarHBondContact NZ-OE1 3.22Å; K255-E269 IonicContact NZ-OE2 2.7Å; K255-E269 PolarHBondContact NZ-OE2 2.97Å; D266-E269 HydrophobicContact CB-CG 4.17Å; D266-E269 VanDerWaalsContact O-CB 3.31Å; D266-E269 WeakPolarHBondContact O-CB 3.4Å; D266-E269 WeakPolarHBondContact O-CG 3.43Å; D266-E269 PolarHBondContact O-N 2.95Å; E269-E271 PolarHBondContact O-N 3.26Å; E269-S484 WeakPolarHBondContact OE1-CB 3.49Å
270	K	61.2	Low	73.1	Confident	199 Å²	199	89.5 Å²	89.5	87%	0.865	46%	0.458	S	S	*	.			trans	-70.2	95.1	175.9	-69.9	173.8	-177.9	168	0	109.8	G268 V272	G268-K270 PolarHBondContact O-N 3.35Å; G268-K270 VanDerWaalsContact O-N 3.11Å; K270-V272 PolarHBondContact O-N 3.08Å
271	E	68.6	Low	74	Confident	176 Å²	176	90 Å²	90	82%	0.822	45%	0.448	S	S	*	.			trans	-48.7	123.2	-178.5	-170.5	176.3	-162.6	0	0	111.3	E269 R273	E269-E271 PolarHBondContact O-N 3.26Å; E271-R273 PolarHBondContact O-N 3.46Å
272	V	79.4	Confident	75.6	Confident	57 Å²	57	94.4 Å²	94.4	35%	0.345	47%	0.468	S	S	.	.			trans	-75.8	100.8	-177.8	178.1	0	0	0	0	107.7	K270 V274 V276 A277	K270-V272 PolarHBondContact O-N 3.08Å; V272-V274 PolarHBondContact O-N 3Å; V272-V276 HydrophobicContact CG1-CB 3.87Å; V272-V276 HydrophobicContact CG1-CG1 3.73Å; V272-A277 HydrophobicContact CG1-CB 4.35Å
273	R	86.7	Confident	77.4	Confident	212 Å²	212	94.7 Å²	94.7	80%	0.8	47%	0.465	S	S	*	.			trans	-26.1	123.7	172.8	-70.2	-176.7	178.9	171	-1.5	111.3	E271 E275 V276 A277	E271-R273 PolarHBondContact O-N 3.46Å; R273-E275 PolarHBondContact O-N 3.47Å; R273-V276 HydrophobicContact CB-CB 4.5Å; R273-V276 HydrophobicContact CB-CG2 4.24Å; R273-V276 WeakPolarHBondContact O-CA 3.48Å; R273-V276 WeakPolarHBondContact O-CB 3.44Å; R273-V276 PolarHBondContact O-N 3.07Å; R273-A277 PolarHBondContact O-N 3.48Å; R273-A277 VanDerWaalsContact O-N 3.16Å
274	V	87.7	Confident	79.2	Confident	115 Å²	115	88.9 Å²	88.9	70%	0.697	44%	0.438	S	S	*	.	H	α-helix	trans	-46.7	-43.6	-169.5	-177.8	0	0	0	0	113.2	V272 V276 A277 R278	V272-V274 PolarHBondContact O-N 3Å; V274-V276 VanDerWaalsContact C-N 3.34Å; V274-V276 PolarHBondContact O-N 3.07Å; V274-A277 WeakPolarHBondContact O-CA 3.49Å; V274-A277 WeakPolarHBondContact O-CB 3.46Å; V274-A277 PolarHBondContact O-N 3.42Å; V274-R278 PolarHBondContact O-N 3.17Å
275	E	90.3	Very high	81	Confident	105 Å²	105	89.1 Å²	89.1	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-60	-39.3	176.2	176.7	52	-155.3	0	0	113.2	R273 A277 Q279	R273-E275 PolarHBondContact O-N 3.47Å; E275-A277 VanDerWaalsContact C-N 3.31Å; E275-A277 PolarHBondContact O-N 3.03Å; E275-Q279 WeakPolarHBondContact O-CB 3.38Å; E275-Q279 VanDerWaalsContact O-CG 3.24Å; E275-Q279 WeakPolarHBondContact O-CG 3.32Å; E275-Q279 PolarHBondContact O-N 3.29Å; E275-Q279 VanDerWaalsContact OE1-CG 3.29Å; E275-Q279 WeakPolarHBondContact OE1-CG 3.46Å; E275-Q279 PolarHBondContact OE1-NE2 3.05Å
276	V	90.5	Very high	82.7	Confident	63 Å²	63	92.1 Å²	92.1	38%	0.382	46%	0.459	S	S	.	.	H	α-helix	trans	-70.8	-26.6	174.4	-178.6	0	0	0	0	111.8	V272 R273 V274 R280	V272-V276 HydrophobicContact CG1-CB 3.87Å; V272-V276 HydrophobicContact CG1-CG1 3.73Å; R273-V276 HydrophobicContact CB-CB 4.5Å; R273-V276 HydrophobicContact CB-CG2 4.24Å; R273-V276 WeakPolarHBondContact O-CA 3.48Å; R273-V276 WeakPolarHBondContact O-CB 3.44Å; R273-V276 PolarHBondContact O-N 3.07Å; V274-V276 VanDerWaalsContact C-N 3.34Å; V274-V276 PolarHBondContact O-N 3.07Å; V276-R280 VanDerWaalsContact O-CG 3.28Å; V276-R280 WeakPolarHBondContact O-CG 3.44Å; V276-R280 PolarHBondContact O-N 3.36Å
277	A	89.1	Confident	84.5	Confident	31 Å²	31	89.2 Å²	89.2	26%	0.256	44%	0.444	S	S	.	.	H	α-helix	trans	-73.1	-53.7	171.7	0	0	0	0	0	110.9	V272 R273 V274 E275 Q279 R280 E281	V272-A277 HydrophobicContact CG1-CB 4.35Å; R273-A277 PolarHBondContact O-N 3.48Å; R273-A277 VanDerWaalsContact O-N 3.16Å; V274-A277 WeakPolarHBondContact O-CA 3.49Å; V274-A277 WeakPolarHBondContact O-CB 3.46Å; V274-A277 PolarHBondContact O-N 3.42Å; E275-A277 VanDerWaalsContact C-N 3.31Å; E275-A277 PolarHBondContact O-N 3.03Å; A277-Q279 PolarHBondContact O-N 3.16Å; A277-R280 WeakPolarHBondContact O-CA 3.37Å; A277-R280 VanDerWaalsContact O-CB 3.32Å; A277-R280 WeakPolarHBondContact O-CB 3.34Å; A277-R280 PolarHBondContact O-N 3.26Å; A277-E281 PolarHBondContact O-N 3.21Å
278	R	93.3	Very high	86.8	Confident	155 Å²	155	86.4 Å²	86.4	59%	0.585	42%	0.42	S	S	*	.	H	α-helix	trans	-53.1	-41.9	174.4	-170.4	179.1	-173.2	168.4	3.7	112.2	V274 R280 E281 L282	V274-R278 PolarHBondContact O-N 3.17Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 3.43Å; R278-E281 WeakPolarHBondContact CA-OE2 3.3Å; R278-E281 PolarHBondContact O-N 2.94Å; R278-L282 HydrophobicContact CG-CD1 4.28Å; R278-L282 WeakPolarHBondContact O-CG 3.41Å; R278-L282 PolarHBondContact O-N 3.2Å
279	Q	94.8	Very high	88.8	Confident	79 Å²	79	89 Å²	89	37%	0.369	43%	0.43	S	S	.	.	H	α-helix	trans	-67.1	-20.9	173.8	-84.6	-166.4	36.5	0	0	115.2	E275 A277 K283	E275-Q279 WeakPolarHBondContact O-CB 3.38Å; E275-Q279 VanDerWaalsContact O-CG 3.24Å; E275-Q279 WeakPolarHBondContact O-CG 3.32Å; E275-Q279 PolarHBondContact O-N 3.29Å; E275-Q279 VanDerWaalsContact OE1-CG 3.29Å; E275-Q279 WeakPolarHBondContact OE1-CG 3.46Å; E275-Q279 PolarHBondContact OE1-NE2 3.05Å; A277-Q279 PolarHBondContact O-N 3.16Å; Q279-K283 WeakPolarHBondContact O-CB 3.47Å; Q279-K283 WeakPolarHBondContact O-CD 3.12Å; Q279-K283 WeakPolarHBondContact O-CG 3.39Å; Q279-K283 PolarHBondContact O-NZ 2.99Å; Q279-K283 VanDerWaalsContact OE1-NZ 3.17Å
280	R	94.7	Very high	90.6	Very high	71 Å²	71	89.9 Å²	89.9	27%	0.268	43%	0.434	S	S	.	.	H	α-helix	trans	-79.2	-41.7	168.7	-68.4	166.3	-163.6	-148.4	12	109.8	V276 A277 R278 K283 W284 P311	V276-R280 VanDerWaalsContact O-CG 3.28Å; V276-R280 WeakPolarHBondContact O-CG 3.44Å; V276-R280 PolarHBondContact O-N 3.36Å; A277-R280 WeakPolarHBondContact O-CA 3.37Å; A277-R280 VanDerWaalsContact O-CB 3.32Å; A277-R280 WeakPolarHBondContact O-CB 3.34Å; A277-R280 PolarHBondContact O-N 3.26Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 3.43Å; R280-K283 PolarHBondContact O-N 2.99Å; R280-W284 VanDerWaalsContact O-CD1 3.28Å; R280-W284 PolarHBondContact O-N 3.46Å; R280-P311 HydrophobicContact CB-CG 4.11Å
281	E	96.4	Very high	92.2	Very high	58 Å²	58	81.5 Å²	81.5	27%	0.271	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-53.9	-179.3	-67.3	171.2	143.5	0	0	112.4	A277 R278 K283 W284 L285 P311 S313 L314	A277-E281 PolarHBondContact O-N 3.21Å; R278-E281 WeakPolarHBondContact CA-OE2 3.3Å; R278-E281 PolarHBondContact O-N 2.94Å; E281-K283 PolarHBondContact O-N 2.97Å; E281-W284 CarbonylContact O-C 3.54Å; E281-W284 WeakPolarHBondContact O-CA 3.39Å; E281-W284 WeakPolarHBondContact O-CB 3.48Å; E281-W284 PolarHBondContact O-N 3.41Å; E281-L285 WeakPolarHBondContact O-CG 3.4Å; E281-L285 PolarHBondContact O-N 3.13Å; E281-P311 HydrophobicContact CG-CB 3.59Å; E281-P311 HydrophobicContact CG-CG 3.65Å; E281-S313 WeakPolarHBondContact OE1-CB 3.41Å; E281-S313 PolarHBondContact OE1-OG 2.88Å; E281-L314 HydrophobicContact CB-CD1 3.97Å; E281-L314 HydrophobicContact CG-CD1 4.1Å; E281-L314 HydrophobicContact CG-CG 4.46Å
282	L	96.6	Very high	93.4	Very high	101 Å²	101	77.4 Å²	77.4	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-53.3	-40.9	175.2	-69.9	171.1	0	0	0	111.8	R278 W284 L285 D286	R278-L282 HydrophobicContact CG-CD1 4.28Å; R278-L282 WeakPolarHBondContact O-CG 3.41Å; R278-L282 PolarHBondContact O-N 3.2Å; L282-W284 VanDerWaalsContact C-N 3.27Å; L282-W284 PolarHBondContact O-N 3.05Å; L282-L285 PolarHBondContact O-N 3.46Å; L282-D286 PolarHBondContact O-N 2.98Å
283	K	96.3	Very high	94.2	Very high	99 Å²	99	80.9 Å²	80.9	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-68.6	-23.2	176.5	-69.9	179.7	-171.7	94.5	0	112.4	Q279 R280 E281 R305	Q279-K283 WeakPolarHBondContact O-CB 3.47Å; Q279-K283 WeakPolarHBondContact O-CD 3.12Å; Q279-K283 WeakPolarHBondContact O-CG 3.39Å; Q279-K283 PolarHBondContact O-NZ 2.99Å; Q279-K283 VanDerWaalsContact OE1-NZ 3.17Å; R280-K283 PolarHBondContact O-N 2.99Å; E281-K283 PolarHBondContact O-N 2.97Å; K283-R305 PolarHBondContact O-NH1 2.86Å; K283-R305 PolarHBondContact O-NH2 3.06Å
284	W	97.7	Very high	94.6	Very high	4 Å²	4	71 Å²	71	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-85	-35.6	174.1	-91.1	107.3	0	0	0	112	R280 E281 L282 D286 M287 F288 W291 R305 I310 P311 L314 A318	R280-W284 VanDerWaalsContact O-CD1 3.28Å; R280-W284 PolarHBondContact O-N 3.46Å; E281-W284 CarbonylContact O-C 3.54Å; E281-W284 WeakPolarHBondContact O-CA 3.39Å; E281-W284 WeakPolarHBondContact O-CB 3.48Å; E281-W284 PolarHBondContact O-N 3.41Å; L282-W284 VanDerWaalsContact C-N 3.27Å; L282-W284 PolarHBondContact O-N 3.05Å; W284-D286 PolarHBondContact O-N 2.93Å; W284-M287 HydrophobicContact CD2-CE 4.31Å; W284-M287 HydrophobicContact CE3-CE 3.58Å; W284-M287 HydrophobicContact CH2-CE 3.94Å; W284-M287 HydrophobicContact CZ3-CE 3.38Å; W284-M287 WeakPolarHBondContact O-CA 3.45Å; W284-M287 VanDerWaalsContact O-CB 3.27Å; W284-M287 WeakPolarHBondContact O-CB 3.31Å; W284-M287 PolarHBondContact O-N 3.37Å; W284-F288 HydrophobicContact CB-CZ 4.41Å; W284-F288 AromaticContact CE3-CE1 3.65Å; W284-F288 HydrophobicContact CE3-CE1 3.65Å; W284-F288 AromaticContact CE3-CZ 3.98Å; W284-F288 HydrophobicContact CE3-CZ 3.98Å; W284-F288 HydrophobicContact CZ3-CE1 4.12Å; W284-F288 WeakPolarHBondContact O-CG 3.37Å; W284-F288 PolarHBondContact O-N 3.11Å; W284-F288 VanDerWaalsContact O-N 3.09Å; W284-W291 HydrophobicContact CZ3-CZ3 4.45Å; W284-R305 HydrophobicContact CH2-CB 4.32Å; W284-R305 HydrophobicContact CZ2-CB 3.51Å; W284-I310 HydrophobicContact CH2-CD1 4.12Å; W284-I310 HydrophobicContact CH2-CG1 3.97Å; W284-I310 HydrophobicContact CZ2-CB 4.41Å; W284-I310 HydrophobicContact CZ2-CD1 4.33Å; W284-I310 HydrophobicContact CZ2-CG1 3.66Å; W284-P311 VanDerWaalsContact CD1-CD 3.47Å; W284-L314 HydrophobicContact CB-CD1 3.51Å; W284-L314 HydrophobicContact CG-CD1 4.33Å; W284-A318 HydrophobicContact CZ3-CB 4.3Å
285	L	97.6	Very high	95	Very high	79 Å²	79	65.7 Å²	65.7	41%	0.414	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-45.1	173.4	-62.7	173.9	0	0	0	111.5	E281 L282 M287 F288 C289 L314	E281-L285 WeakPolarHBondContact O-CG 3.4Å; E281-L285 PolarHBondContact O-N 3.13Å; L282-L285 PolarHBondContact O-N 3.46Å; L285-M287 PolarHBondContact O-N 2.92Å; L285-M287 VanDerWaalsContact O-N 3.12Å; L285-F288 HydrophobicContact CD2-CD2 4.02Å; L285-F288 HydrophobicContact CD2-CE2 4.25Å; L285-F288 PolarHBondContact O-N 3.13Å; L285-C289 PolarHBondContact O-N 3.32Å; L285-C289 VanDerWaalsContact O-N 3.14Å; L285-C289 PolarHBondContact O-SG 3.48Å; L285-C289 VanDerWaalsContact O-SG 3.39Å; L285-L314 HydrophobicContact CD2-CD1 4.49Å; L285-L314 HydrophobicContact CD2-CD2 3.99Å
286	D	96.3	Very high	95.2	Very high	72 Å²	72	66.5 Å²	66.5	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-54.2	-28.3	169.6	157.5	65.3	0	0	0	113.7	L282 W284 H290 W294	L282-D286 PolarHBondContact O-N 2.98Å; W284-D286 PolarHBondContact O-N 2.93Å; D286-H290 PolarHBondContact O-ND1 3.32Å; D286-W294 PolarHBondContact O-NE1 2.96Å; D286-W294 VanDerWaalsContact OD2-CZ2 3.24Å; D286-W294 WeakPolarHBondContact OD2-CZ2 3.43Å
287	M	97.4	Very high	95.4	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-77.5	-39.7	174	-80.6	179.9	30.4	0	0	113.1	W284 L285 H290 W291 W294 V302 R305	W284-M287 HydrophobicContact CD2-CE 4.31Å; W284-M287 HydrophobicContact CE3-CE 3.58Å; W284-M287 HydrophobicContact CH2-CE 3.94Å; W284-M287 HydrophobicContact CZ3-CE 3.38Å; W284-M287 WeakPolarHBondContact O-CA 3.45Å; W284-M287 VanDerWaalsContact O-CB 3.27Å; W284-M287 WeakPolarHBondContact O-CB 3.31Å; W284-M287 PolarHBondContact O-N 3.37Å; L285-M287 PolarHBondContact O-N 2.92Å; L285-M287 VanDerWaalsContact O-N 3.12Å; M287-H290 CarbonylContact O-C 3.57Å; M287-H290 PolarHBondContact O-N 3.27Å; M287-W291 HydrophobicContact CE-CZ3 3.81Å; M287-W291 VanDerWaalsContact O-CA 3.29Å; M287-W291 WeakPolarHBondContact O-CA 3.48Å; M287-W291 PolarHBondContact O-N 3.11Å; M287-W291 VanDerWaalsContact O-N 3.08Å; M287-W294 HydrophobicContact CB-CD2 4.47Å; M287-W294 HydrophobicContact CB-CG 4.39Å; M287-W294 HydrophobicContact CG-CD2 3.5Å; M287-W294 VanDerWaalsContact CG-CD2 3.5Å; M287-W294 VanDerWaalsContact CG-CE2 3.45Å; M287-W294 HydrophobicContact CG-CE3 3.82Å; M287-W294 HydrophobicContact CG-CG 3.88Å; M287-W294 HydrophobicContact CG-CH2 4.13Å; M287-W294 HydrophobicContact CG-CZ2 3.78Å; M287-W294 HydrophobicContact CG-CZ3 4.14Å; M287-W294 HydrophobicContact SD-CD2 4.26Å; M287-W294 HydrophobicContact SD-CE3 3.97Å; M287-W294 HydrophobicContact SD-CH2 4.43Å; M287-W294 HydrophobicContact SD-CZ3 4.07Å; M287-V302 HydrophobicContact CE-CB 4.12Å; M287-V302 HydrophobicContact CE-CG1 3.81Å; M287-V302 HydrophobicContact CE-CG2 3.88Å; M287-V302 HydrophobicContact SD-CG2 4.48Å; M287-R305 WeakPolarHBondContact SD-CD 3.31Å; M287-R305 PolarHBondContact SD-NE 3Å; M287-R305 PolarHBondContact SD-NH2 2.77Å
288	F	97.3	Very high	95.8	Very high	31 Å²	31	74.2 Å²	74.2	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-44.8	-179.5	-57.3	-29	0	0	0	111.7	W284 L285 H290 W291 L314 K317 A318 L321	W284-F288 HydrophobicContact CB-CZ 4.41Å; W284-F288 AromaticContact CE3-CE1 3.65Å; W284-F288 HydrophobicContact CE3-CE1 3.65Å; W284-F288 AromaticContact CE3-CZ 3.98Å; W284-F288 HydrophobicContact CE3-CZ 3.98Å; W284-F288 HydrophobicContact CZ3-CE1 4.12Å; W284-F288 WeakPolarHBondContact O-CG 3.37Å; W284-F288 PolarHBondContact O-N 3.11Å; W284-F288 VanDerWaalsContact O-N 3.09Å; L285-F288 HydrophobicContact CD2-CD2 4.02Å; L285-F288 HydrophobicContact CD2-CE2 4.25Å; L285-F288 PolarHBondContact O-N 3.13Å; F288-H290 PolarHBondContact O-N 2.93Å; F288-W291 PolarHBondContact O-N 3.08Å; F288-L314 HydrophobicContact CE2-CB 4.22Å; F288-L314 HydrophobicContact CE2-CD1 4.26Å; F288-L314 HydrophobicContact CE2-CD2 4.32Å; F288-L314 HydrophobicContact CZ-CB 4.2Å; F288-K317 HydrophobicContact CD2-CG 4.24Å; F288-K317 HydrophobicContact CE2-CB 4.23Å; F288-K317 HydrophobicContact CE2-CG 4.33Å; F288-K317 HydrophobicContact CZ-CB 4.43Å; F288-A318 HydrophobicContact CE1-CB 3.95Å; F288-A318 HydrophobicContact CZ-CB 3.85Å; F288-L321 HydrophobicContact CB-CD1 4.11Å; F288-L321 HydrophobicContact CD1-CD1 3.45Å; F288-L321 VanDerWaalsContact CD1-CD1 3.45Å; F288-L321 HydrophobicContact CE1-CD1 4.09Å; F288-L321 HydrophobicContact CG-CD1 3.95Å
289	C	95.8	Very high	95.9	Very high	102 Å²	102	68.1 Å²	68.1	69%	0.689	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.9	176.5	-59.3	0	0	0	0	114.1	L285	L285-C289 PolarHBondContact O-N 3.32Å; L285-C289 VanDerWaalsContact O-N 3.14Å; L285-C289 PolarHBondContact O-SG 3.48Å; L285-C289 VanDerWaalsContact O-SG 3.39Å
290	H	94.6	Very high	96	Very high	78 Å²	78	70.4 Å²	70.4	36%	0.361	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	28.6	-173.2	-65.9	119.7	0	0	0	112.6	D286 M287 F288 D292 K293 W294	D286-H290 PolarHBondContact O-ND1 3.32Å; M287-H290 CarbonylContact O-C 3.57Å; M287-H290 PolarHBondContact O-N 3.27Å; F288-H290 PolarHBondContact O-N 2.93Å; H290-D292 PolarHBondContact O-N 3.05Å; H290-K293 HydrophobicContact CB-CB 4.5Å; H290-K293 HydrophobicContact CB-CD 4.46Å; H290-K293 WeakPolarHBondContact O-CA 3.44Å; H290-K293 WeakPolarHBondContact O-CB 3.33Å; H290-K293 PolarHBondContact O-N 3Å; H290-W294 PolarHBondContact O-N 3.41Å
291	W	95.8	Very high	96.2	Very high	23 Å²	23	72.7 Å²	72.7	9%	0.087	35%	0.345	C	S	.	.	H	α-helix	trans	-50.2	-55	-163.4	-172.4	-120.5	0	0	0	114.5	W284 M287 F288 K293 W294 V295 V302 L321 L322 T588	W284-W291 HydrophobicContact CZ3-CZ3 4.45Å; M287-W291 HydrophobicContact CE-CZ3 3.81Å; M287-W291 VanDerWaalsContact O-CA 3.29Å; M287-W291 WeakPolarHBondContact O-CA 3.48Å; M287-W291 PolarHBondContact O-N 3.11Å; M287-W291 VanDerWaalsContact O-N 3.08Å; F288-W291 PolarHBondContact O-N 3.08Å; W291-K293 VanDerWaalsContact C-N 3.29Å; W291-K293 PolarHBondContact O-N 3.27Å; W291-W294 CarbonylContact O-C 3.6Å; W291-W294 WeakPolarHBondContact O-CA 3.35Å; W291-W294 WeakPolarHBondContact O-CB 3.38Å; W291-W294 PolarHBondContact O-N 2.82Å; W291-V295 HydrophobicContact CD2-CG2 3.92Å; W291-V295 HydrophobicContact CG-CG2 4.33Å; W291-V295 HydrophobicContact CH2-CG2 4.4Å; W291-V295 HydrophobicContact CZ2-CG2 3.8Å; W291-V295 PolarHBondContact O-N 3.17Å; W291-V302 HydrophobicContact CH2-CG1 3.87Å; W291-V302 HydrophobicContact CZ3-CG1 4.2Å; W291-L321 HydrophobicContact CD2-CB 4.1Å; W291-L321 HydrophobicContact CD2-CD1 4.36Å; W291-L321 VanDerWaalsContact CE2-O 3.31Å; W291-L321 HydrophobicContact CG-CB 4.45Å; W291-L321 HydrophobicContact CG-CD1 4.44Å; W291-L321 HydrophobicContact CG-CD2 4.1Å; W291-L321 HydrophobicContact CH2-CB 4.48Å; W291-L321 HydrophobicContact CZ2-CB 3.91Å; W291-L321 VanDerWaalsContact CZ2-O 3.28Å; W291-L321 WeakPolarHBondContact CZ2-O 3.39Å; W291-L321 PolarHBondContact NE1-O 3.34Å; W291-L322 HydrophobicContact CH2-CD2 3.64Å; W291-L322 HydrophobicContact CH2-CG 3.98Å; W291-L322 HydrophobicContact CZ2-CD2 3.86Å; W291-L322 HydrophobicContact CZ2-CG 4.11Å; W291-T588 HydrophobicContact CZ2-CG2 3.94Å
292	D	93.9	Very high	96.2	Very high	91 Å²	91	70 Å²	70	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-38.8	178.9	-72	-13.1	0	0	0	113.2	H290 W294 V295 K296 F592	H290-D292 PolarHBondContact O-N 3.05Å; D292-W294 VanDerWaalsContact C-N 3.28Å; D292-W294 PolarHBondContact O-N 3.13Å; D292-V295 PolarHBondContact O-N 3Å; D292-K296 WeakPolarHBondContact O-CB 3.39Å; D292-K296 PolarHBondContact O-N 3.02Å; D292-F592 HydrophobicContact CB-CE2 4.01Å; D292-F592 HydrophobicContact CB-CZ 4.44Å; D292-F592 WeakPolarHBondContact OD1-CE2 3.25Å
293	K	94.8	Very high	96.3	Very high	129 Å²	129	67 Å²	67	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-37.4	176.8	-58	174.8	-175.2	170.9	0	109.9	H290 W291 H297	H290-K293 HydrophobicContact CB-CB 4.5Å; H290-K293 HydrophobicContact CB-CD 4.46Å; H290-K293 WeakPolarHBondContact O-CA 3.44Å; H290-K293 WeakPolarHBondContact O-CB 3.33Å; H290-K293 PolarHBondContact O-N 3Å; W291-K293 VanDerWaalsContact C-N 3.29Å; W291-K293 PolarHBondContact O-N 3.27Å; K293-H297 WeakPolarHBondContact O-CB 3.43Å; K293-H297 PolarHBondContact O-N 3.15Å; K293-H297 VanDerWaalsContact O-N 3.1Å
294	W	96.4	Very high	96.3	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-72.2	-44.5	175.8	-82.5	98.9	0	0	0	113.4	D286 M287 H290 W291 D292 R298 F299 K301 V302	D286-W294 PolarHBondContact O-NE1 2.96Å; D286-W294 VanDerWaalsContact OD2-CZ2 3.24Å; D286-W294 WeakPolarHBondContact OD2-CZ2 3.43Å; M287-W294 HydrophobicContact CB-CD2 4.47Å; M287-W294 HydrophobicContact CB-CG 4.39Å; M287-W294 HydrophobicContact CG-CD2 3.5Å; M287-W294 VanDerWaalsContact CG-CD2 3.5Å; M287-W294 VanDerWaalsContact CG-CE2 3.45Å; M287-W294 HydrophobicContact CG-CE3 3.82Å; M287-W294 HydrophobicContact CG-CG 3.88Å; M287-W294 HydrophobicContact CG-CH2 4.13Å; M287-W294 HydrophobicContact CG-CZ2 3.78Å; M287-W294 HydrophobicContact CG-CZ3 4.14Å; M287-W294 HydrophobicContact SD-CD2 4.26Å; M287-W294 HydrophobicContact SD-CE3 3.97Å; M287-W294 HydrophobicContact SD-CH2 4.43Å; M287-W294 HydrophobicContact SD-CZ3 4.07Å; H290-W294 PolarHBondContact O-N 3.41Å; W291-W294 CarbonylContact O-C 3.6Å; W291-W294 WeakPolarHBondContact O-CA 3.35Å; W291-W294 WeakPolarHBondContact O-CB 3.38Å; W291-W294 PolarHBondContact O-N 2.82Å; D292-W294 VanDerWaalsContact C-N 3.28Å; D292-W294 PolarHBondContact O-N 3.13Å; W294-R298 HydrophobicContact CD2-CB 4.19Å; W294-R298 VanDerWaalsContact CE2-NH1 3.27Å; W294-R298 HydrophobicContact CE3-CB 3.46Å; W294-R298 VanDerWaalsContact CE3-CB 3.46Å; W294-R298 HydrophobicContact CE3-CG 4.13Å; W294-R298 HydrophobicContact CZ3-CB 3.94Å; W294-R298 HydrophobicContact CZ3-CG 4.46Å; W294-R298 CarbonylContact O-C 3.57Å; W294-R298 VanDerWaalsContact O-CA 3.23Å; W294-R298 WeakPolarHBondContact O-CA 3.32Å; W294-R298 PolarHBondContact O-N 3.14Å; W294-F299 PolarHBondContact O-N 3.3Å; W294-K301 HydrophobicContact CH2-CD 4.14Å; W294-K301 HydrophobicContact CZ3-CB 4.07Å; W294-K301 HydrophobicContact CZ3-CD 3.82Å; W294-K301 HydrophobicContact CZ3-CG 3.89Å; W294-V302 HydrophobicContact CB-CG2 4.07Å; W294-V302 HydrophobicContact CE3-CG2 4.15Å
295	V	95.6	Very high	96.3	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-43.3	177.3	179.7	0	0	0	0	111	W291 D292 F299 T588 F592	W291-V295 HydrophobicContact CD2-CG2 3.92Å; W291-V295 HydrophobicContact CG-CG2 4.33Å; W291-V295 HydrophobicContact CH2-CG2 4.4Å; W291-V295 HydrophobicContact CZ2-CG2 3.8Å; W291-V295 PolarHBondContact O-N 3.17Å; D292-V295 PolarHBondContact O-N 3Å; V295-F299 HydrophobicContact CG1-CD2 4.46Å; V295-F299 WeakPolarHBondContact O-CB 3.35Å; V295-T588 HydrophobicContact CG1-CG2 4.3Å; V295-T588 HydrophobicContact CG2-CG2 4.11Å; V295-F592 HydrophobicContact CB-CD2 4.42Å; V295-F592 HydrophobicContact CB-CG 4.37Å; V295-F592 HydrophobicContact CG1-CB 3.71Å; V295-F592 HydrophobicContact CG1-CD1 3.87Å; V295-F592 HydrophobicContact CG1-CD2 4.12Å; V295-F592 HydrophobicContact CG1-CG 3.62Å
296	K	94.3	Very high	96.3	Very high	123 Å²	123	65.6 Å²	65.6	54%	0.535	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-43	-179.6	-173.1	179.9	169.5	-167.4	0	113.6	D292 F592	D292-K296 WeakPolarHBondContact O-CB 3.39Å; D292-K296 PolarHBondContact O-N 3.02Å; K296-F592 HydrophobicContact CB-CE1 3.77Å; K296-F592 HydrophobicContact CB-CZ 3.85Å; K296-F592 HydrophobicContact CG-CE1 4.2Å; K296-F592 HydrophobicContact CG-CZ 4.42Å
297	H	95.6	Very high	96.3	Very high	137 Å²	137	64.4 Å²	64.4	63%	0.634	30%	0.3	S	S	*	.	H	α-helix	trans	-116.4	-18.6	-169.5	-62.9	-81.7	0	0	0	115.3	K293	K293-H297 WeakPolarHBondContact O-CB 3.43Å; K293-H297 PolarHBondContact O-N 3.15Å; K293-H297 VanDerWaalsContact O-N 3.1Å
298	R	96.3	Very high	96.2	Very high	118 Å²	118	70.8 Å²	70.8	45%	0.445	33%	0.328	S	S	.	.	H	α-helix	trans	-128.3	20.8	-174.1	-53.7	-170.5	-142.4	168.1	0.4	113.7	W294 Q300 K301 V302	W294-R298 HydrophobicContact CD2-CB 4.19Å; W294-R298 VanDerWaalsContact CE2-NH1 3.27Å; W294-R298 HydrophobicContact CE3-CB 3.46Å; W294-R298 VanDerWaalsContact CE3-CB 3.46Å; W294-R298 HydrophobicContact CE3-CG 4.13Å; W294-R298 HydrophobicContact CZ3-CB 3.94Å; W294-R298 HydrophobicContact CZ3-CG 4.46Å; W294-R298 CarbonylContact O-C 3.57Å; W294-R298 VanDerWaalsContact O-CA 3.23Å; W294-R298 WeakPolarHBondContact O-CA 3.32Å; W294-R298 PolarHBondContact O-N 3.14Å; R298-Q300 VanDerWaalsContact C-N 3.26Å; R298-Q300 PolarHBondContact O-N 2.93Å; R298-K301 WeakPolarHBondContact O-CA 3.34Å; R298-K301 WeakPolarHBondContact O-CB 3.41Å; R298-K301 PolarHBondContact O-N 3.24Å; R298-V302 PolarHBondContact O-N 3.26Å
299	F	96.6	Very high	96.1	Very high	27 Å²	27	69.9 Å²	69.9	12%	0.118	33%	0.327	C	S	.	.	H	α-helix	trans	-48.9	-39.5	-173.3	-175.1	-111.1	0	0	0	114.9	W294 V295 K301 V302 K303 R589	W294-F299 PolarHBondContact O-N 3.3Å; V295-F299 HydrophobicContact CG1-CD2 4.46Å; V295-F299 WeakPolarHBondContact O-CB 3.35Å; F299-K301 PolarHBondContact O-N 2.95Å; F299-V302 WeakPolarHBondContact O-CB 3.23Å; F299-V302 PolarHBondContact O-N 3.27Å; F299-V302 VanDerWaalsContact O-N 3.13Å; F299-K303 HydrophobicContact CE1-CB 4.43Å; F299-K303 HydrophobicContact CE1-CD 4.24Å; F299-K303 WeakPolarHBondContact O-CB 3.46Å; F299-K303 PolarHBondContact O-N 2.96Å; F299-R589 HydrophobicContact CD1-CB 4.22Å; F299-R589 HydrophobicContact CD2-CB 4.02Å; F299-R589 HydrophobicContact CE1-CB 3.92Å; F299-R589 HydrophobicContact CE2-CB 3.73Å; F299-R589 HydrophobicContact CG-CB 4.27Å; F299-R589 HydrophobicContact CZ-CB 3.67Å
300	Q	97.2	Very high	96.2	Very high	127 Å²	127	65.1 Å²	65.1	59%	0.593	30%	0.295	S	S	*	.	H	α-helix	trans	-62.8	-30.4	178.7	-58.8	-61.8	-7.3	0	0	112.7	R298 L304	R298-Q300 VanDerWaalsContact C-N 3.26Å; R298-Q300 PolarHBondContact O-N 2.93Å; Q300-L304 VanDerWaalsContact O-CB 3.28Å; Q300-L304 WeakPolarHBondContact O-CB 3.42Å; Q300-L304 PolarHBondContact O-N 3.03Å
301	K	97.1	Very high	96.2	Very high	120 Å²	120	62.4 Å²	62.4	52%	0.522	28%	0.284	S	S	.	.	H	α-helix	trans	-78.9	-32.1	175.6	-167	165.8	177.1	176.1	0	111.7	W294 R298 F299 R305	W294-K301 HydrophobicContact CH2-CD 4.14Å; W294-K301 HydrophobicContact CZ3-CB 4.07Å; W294-K301 HydrophobicContact CZ3-CD 3.82Å; W294-K301 HydrophobicContact CZ3-CG 3.89Å; R298-K301 WeakPolarHBondContact O-CA 3.34Å; R298-K301 WeakPolarHBondContact O-CB 3.41Å; R298-K301 PolarHBondContact O-N 3.24Å; F299-K301 PolarHBondContact O-N 2.95Å; K301-R305 VanDerWaalsContact O-CD 3.23Å; K301-R305 WeakPolarHBondContact O-CD 3.38Å; K301-R305 VanDerWaalsContact O-CG 3.3Å; K301-R305 WeakPolarHBondContact O-CG 3.46Å; K301-R305 PolarHBondContact O-N 3.1Å
302	V	97.8	Very high	96.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-57.4	167.9	-178	0	0	0	0	109.5	M287 W291 W294 R298 F299 L304 R305 C306 L322	M287-V302 HydrophobicContact CE-CB 4.12Å; M287-V302 HydrophobicContact CE-CG1 3.81Å; M287-V302 HydrophobicContact CE-CG2 3.88Å; M287-V302 HydrophobicContact SD-CG2 4.48Å; W291-V302 HydrophobicContact CH2-CG1 3.87Å; W291-V302 HydrophobicContact CZ3-CG1 4.2Å; W294-V302 HydrophobicContact CB-CG2 4.07Å; W294-V302 HydrophobicContact CE3-CG2 4.15Å; R298-V302 PolarHBondContact O-N 3.26Å; F299-V302 WeakPolarHBondContact O-CB 3.23Å; F299-V302 PolarHBondContact O-N 3.27Å; F299-V302 VanDerWaalsContact O-N 3.13Å; V302-L304 VanDerWaalsContact C-N 3.31Å; V302-L304 PolarHBondContact O-N 2.75Å; V302-R305 WeakPolarHBondContact O-CA 3.47Å; V302-R305 WeakPolarHBondContact O-CB 3.28Å; V302-R305 PolarHBondContact O-N 3.12Å; V302-C306 PolarHBondContact O-N 2.75Å; V302-C306 PolarHBondContact O-SG 2.75Å; V302-L322 HydrophobicContact CG1-CD2 4.25Å
303	K	97.4	Very high	96.1	Very high	40 Å²	40	63.8 Å²	63.8	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-54.8	-40.2	177	169	171.2	160.9	159	0	113.5	F299 R305 C306 R307 E496	F299-K303 HydrophobicContact CE1-CB 4.43Å; F299-K303 HydrophobicContact CE1-CD 4.24Å; F299-K303 WeakPolarHBondContact O-CB 3.46Å; F299-K303 PolarHBondContact O-N 2.96Å; K303-R305 VanDerWaalsContact C-N 3.27Å; K303-R305 PolarHBondContact O-N 2.93Å; K303-C306 PolarHBondContact O-N 3.28Å; K303-R307 WeakPolarHBondContact O-CB 3.47Å; K303-R307 VanDerWaalsContact O-CG 3.29Å; K303-R307 WeakPolarHBondContact O-CG 3.29Å; K303-R307 PolarHBondContact O-N 2.91Å; K303-E496 HydrophobicContact CD-CG 4.07Å; K303-E496 WeakPolarHBondContact CE-OE1 3.2Å; K303-E496 VanDerWaalsContact CE-OE2 3.29Å; K303-E496 WeakPolarHBondContact CE-OE2 3.28Å; K303-E496 HydrophobicContact CG-CG 4.29Å; K303-E496 VanDerWaalsContact NZ-CD 3.32Å; K303-E496 IonicContact NZ-OE1 3.19Å; K303-E496 IonicContact NZ-OE2 2.75Å; K303-E496 PolarHBondContact NZ-OE2 2.76Å
304	L	97.3	Very high	96.2	Very high	115 Å²	115	58.8 Å²	58.8	60%	0.602	28%	0.284	S	S	*	.	H	α-helix	trans	-63.8	-31.2	175.3	-178	60.5	0	0	0	112.7	Q300 V302 K308	Q300-L304 VanDerWaalsContact O-CB 3.28Å; Q300-L304 WeakPolarHBondContact O-CB 3.42Å; Q300-L304 PolarHBondContact O-N 3.03Å; V302-L304 VanDerWaalsContact C-N 3.31Å; V302-L304 PolarHBondContact O-N 2.75Å; L304-K308 PolarHBondContact O-N 3.44Å
305	R	97.3	Very high	96.3	Very high	36 Å²	36	59.2 Å²	59.2	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-77.7	-42.2	175.9	-65.8	154.5	165	-112.2	27.6	111.8	K283 W284 M287 K301 V302 K303 R307 K308 G309	K283-R305 PolarHBondContact O-NH1 2.86Å; K283-R305 PolarHBondContact O-NH2 3.06Å; W284-R305 HydrophobicContact CH2-CB 4.32Å; W284-R305 HydrophobicContact CZ2-CB 3.51Å; M287-R305 WeakPolarHBondContact SD-CD 3.31Å; M287-R305 PolarHBondContact SD-NE 3Å; M287-R305 PolarHBondContact SD-NH2 2.77Å; K301-R305 VanDerWaalsContact O-CD 3.23Å; K301-R305 WeakPolarHBondContact O-CD 3.38Å; K301-R305 VanDerWaalsContact O-CG 3.3Å; K301-R305 WeakPolarHBondContact O-CG 3.46Å; K301-R305 PolarHBondContact O-N 3.1Å; V302-R305 WeakPolarHBondContact O-CA 3.47Å; V302-R305 WeakPolarHBondContact O-CB 3.28Å; V302-R305 PolarHBondContact O-N 3.12Å; K303-R305 VanDerWaalsContact C-N 3.27Å; K303-R305 PolarHBondContact O-N 2.93Å; R305-R307 PolarHBondContact O-N 3.33Å; R305-K308 CarbonylContact O-C 3.18Å; R305-K308 WeakPolarHBondContact O-CA 3.49Å; R305-K308 PolarHBondContact O-N 3.21Å; R305-G309 PolarHBondContact O-N 3.34Å
306	C	97.9	Very high	96.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-55.6	-34.5	168.7	-61.2	0	0	0	0	111.9	V302 K303 R488 D491 C495	V302-C306 PolarHBondContact O-N 2.75Å; V302-C306 PolarHBondContact O-SG 2.75Å; K303-C306 PolarHBondContact O-N 3.28Å; C306-R488 PolarHBondContact O-NH1 2.98Å; C306-R488 PolarHBondContact O-NH2 3.39Å; C306-D491 WeakPolarHBondContact CB-O 3.47Å; C306-C495 HydrophobicContact CB-CB 3.78Å; C306-C495 VanDerWaalsContact SG-CB 3.58Å; C306-C495 VanDerWaalsContact SG-SG 3.64Å
307	R	96.6	Very high	96.6	Very high	46 Å²	46	58.9 Å²	58.9	17%	0.174	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.5	172.2	-74.9	173.5	173.9	-136.6	-9.4	115.4	K303 R305 R488 M492 E496 I550	K303-R307 WeakPolarHBondContact O-CB 3.47Å; K303-R307 VanDerWaalsContact O-CG 3.29Å; K303-R307 WeakPolarHBondContact O-CG 3.29Å; K303-R307 PolarHBondContact O-N 2.91Å; R305-R307 PolarHBondContact O-N 3.33Å; R307-R488 PolarHBondContact O-NH2 2.85Å; R307-M492 HydrophobicContact CG-CG 4.17Å; R307-M492 HydrophobicContact CG-SD 3.95Å; R307-E496 IonicContact CZ-OE1 2.55Å; R307-E496 IonicContact NE-OE1 3.15Å; R307-E496 PolarHBondContact NE-OE1 3.4Å; R307-E496 IonicContact NH2-OE1 3.39Å; R307-E496 PolarHBondContact NH2-OE1 3.5Å; R307-E496 IonicContact NH2-OE2 2.67Å; R307-E496 PolarHBondContact NH2-OE2 2.91Å; R307-I550 HydrophobicContact CB-CD1 3.9Å; R307-I550 HydrophobicContact CG-CD1 3.99Å; R307-I550 HydrophobicContact CG-CG1 4.22Å
308	K	94.3	Very high	96.7	Very high	134 Å²	134	52.3 Å²	52.3	58%	0.583	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-17.1	177.4	-178.3	165.8	-178.9	171.2	0	114.1	L304 R305	L304-K308 PolarHBondContact O-N 3.44Å; R305-K308 CarbonylContact O-C 3.18Å; R305-K308 WeakPolarHBondContact O-CA 3.49Å; R305-K308 PolarHBondContact O-N 3.21Å
309	G	95.8	Very high	96.8	Very high	12 Å²	12	46.7 Å²	46.7	12%	0.124	24%	0.237	C	C	.	.			trans	119.2	123.8	-174.4	0	0	0	0	0	111.5	R305 R488	R305-G309 PolarHBondContact O-N 3.34Å; G309-R488 VanDerWaalsContact CA-CZ 3.48Å; G309-R488 VanDerWaalsContact N-CZ 3.27Å
310	I	97.4	Very high	96.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.234	C	C	.	.			trans	-80.3	130.9	160	-51.7	-177.3	0	0	0	106.7	W284 L314 R315 A318 L322 D491	W284-I310 HydrophobicContact CH2-CD1 4.12Å; W284-I310 HydrophobicContact CH2-CG1 3.97Å; W284-I310 HydrophobicContact CZ2-CB 4.41Å; W284-I310 HydrophobicContact CZ2-CD1 4.33Å; W284-I310 HydrophobicContact CZ2-CG1 3.66Å; I310-L314 HydrophobicContact CG2-CB 4.45Å; I310-R315 HydrophobicContact CB-CG 4.15Å; I310-R315 HydrophobicContact CG2-CG 3.95Å; I310-R315 PolarHBondContact O-NH2 2.73Å; I310-A318 HydrophobicContact CD1-CB 3.9Å; I310-A318 HydrophobicContact CG2-CB 3.68Å; I310-L322 HydrophobicContact CD1-CD1 3.77Å; I310-D491 WeakPolarHBondContact CB-OD1 3.33Å; I310-D491 HydrophobicContact CD1-CB 3.99Å; I310-D491 WeakPolarHBondContact CD1-OD1 3.24Å; I310-D491 HydrophobicContact CG1-CB 3.99Å; I310-D491 VanDerWaalsContact CG1-CG 3.44Å; I310-D491 WeakPolarHBondContact CG1-OD1 3.35Å; I310-D491 PolarHBondContact N-OD2 3.19Å
311	P	95.9	Very high	97	Very high	20 Å²	20	41 Å²	41	13%	0.13	21%	0.211	C	C	.	.			trans	-56.9	138.9	171.4	-24.1	34.8	0	0	0	110.8	R280 E281 W284 S313 L314 R315	R280-P311 HydrophobicContact CB-CG 4.11Å; E281-P311 HydrophobicContact CG-CB 3.59Å; E281-P311 HydrophobicContact CG-CG 3.65Å; W284-P311 VanDerWaalsContact CD1-CD 3.47Å; P311-S313 VanDerWaalsContact C-N 3.29Å; P311-S313 PolarHBondContact O-N 3.16Å; P311-L314 HydrophobicContact CB-CD1 4.5Å; P311-L314 HydrophobicContact CB-CG 4.37Å; P311-L314 HydrophobicContact CG-CD1 4.3Å; P311-L314 PolarHBondContact O-N 2.58Å; P311-R315 PolarHBondContact O-N 3.26Å
312	S	92.7	Very high	97	Very high	68 Å²	68	35.3 Å²	35.3	48%	0.476	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-56.2	-44.6	-175.4	-57.3	0	0	0	0	112.2	L314 R315	S312-L314 PolarHBondContact O-N 3.05Å; S312-R315 PolarHBondContact O-N 3.36Å; S312-R315 VanDerWaalsContact O-N 3.15Å; S312-R315 PolarHBondContact OG-NH1 3.04Å
313	S	93.9	Very high	97	Very high	75 Å²	75	35.3 Å²	35.3	52%	0.524	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-47.4	-27	171	49.5	0	0	0	0	115.3	E281 P311	E281-S313 WeakPolarHBondContact OE1-CB 3.41Å; E281-S313 PolarHBondContact OE1-OG 2.88Å; P311-S313 VanDerWaalsContact C-N 3.29Å; P311-S313 PolarHBondContact O-N 3.16Å
314	L	97.7	Very high	96.9	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.131	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-112.4	-0.5	-174.2	-57.5	-174.5	0	0	0	113.8	E281 W284 L285 F288 I310 P311 S312 S316 K317 A318	E281-L314 HydrophobicContact CB-CD1 3.97Å; E281-L314 HydrophobicContact CG-CD1 4.1Å; E281-L314 HydrophobicContact CG-CG 4.46Å; W284-L314 HydrophobicContact CB-CD1 3.51Å; W284-L314 HydrophobicContact CG-CD1 4.33Å; L285-L314 HydrophobicContact CD2-CD1 4.49Å; L285-L314 HydrophobicContact CD2-CD2 3.99Å; F288-L314 HydrophobicContact CE2-CB 4.22Å; F288-L314 HydrophobicContact CE2-CD1 4.26Å; F288-L314 HydrophobicContact CE2-CD2 4.32Å; F288-L314 HydrophobicContact CZ-CB 4.2Å; I310-L314 HydrophobicContact CG2-CB 4.45Å; P311-L314 HydrophobicContact CB-CD1 4.5Å; P311-L314 HydrophobicContact CB-CG 4.37Å; P311-L314 HydrophobicContact CG-CD1 4.3Å; P311-L314 PolarHBondContact O-N 2.58Å; S312-L314 PolarHBondContact O-N 3.05Å; L314-S316 PolarHBondContact O-N 3.48Å; L314-K317 PolarHBondContact O-N 3.03Å; L314-A318 WeakPolarHBondContact O-CB 3.47Å; L314-A318 PolarHBondContact O-N 3.26Å
315	R	98.1	Very high	96.9	Very high	13 Å²	13	29.2 Å²	29.2	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-41.9	-178.5	-74.9	-164.1	-174	94.4	18.2	112.9	I310 P311 S312 K317 A318 W319 H407 D491	I310-R315 HydrophobicContact CB-CG 4.15Å; I310-R315 HydrophobicContact CG2-CG 3.95Å; I310-R315 PolarHBondContact O-NH2 2.73Å; P311-R315 PolarHBondContact O-N 3.26Å; S312-R315 PolarHBondContact O-N 3.36Å; S312-R315 VanDerWaalsContact O-N 3.15Å; S312-R315 PolarHBondContact OG-NH1 3.04Å; R315-K317 PolarHBondContact O-N 2.93Å; R315-A318 PolarHBondContact O-N 3.28Å; R315-W319 HydrophobicContact CB-CD2 4.27Å; R315-W319 VanDerWaalsContact CD-CZ2 3.49Å; R315-W319 HydrophobicContact CG-CZ2 4.42Å; R315-W319 VanDerWaalsContact O-CB 3.31Å; R315-W319 WeakPolarHBondContact O-CB 3.38Å; R315-W319 PolarHBondContact O-N 2.78Å; R315-H407 HydrophobicContact CB-CB 4.5Å; R315-D491 IonicContact NE-OD1 2.72Å; R315-D491 PolarHBondContact NE-OD1 3.17Å; R315-D491 IonicContact NE-OD2 2.73Å
316	S	97.5	Very high	96.8	Very high	35 Å²	35	29 Å²	29	25%	0.245	16%	0.156	C	C	.	.	H	α-helix	trans	-44	-58.7	175.1	-175.4	0	0	0	0	112.2	L314 Q320 H407 M408	L314-S316 PolarHBondContact O-N 3.48Å; S316-Q320 VanDerWaalsContact O-CG 3.31Å; S316-Q320 WeakPolarHBondContact O-CG 3.34Å; S316-Q320 PolarHBondContact O-N 2.65Å; S316-Q320 PolarHBondContact O-NE2 3.2Å; S316-Q320 PolarHBondContact OG-NE2 3.36Å; S316-H407 WeakPolarHBondContact CB-O 3.44Å; S316-M408 WeakPolarHBondContact OG-CB 3.35Å
317	K	98.1	Very high	96.7	Very high	84 Å²	84	33 Å²	33	37%	0.365	18%	0.175	S	C	.	.	H	α-helix	trans	-76.6	-37.3	-177.9	-164.5	59.3	160.9	179.8	0	112.5	F288 L314 R315 L321 Q326	F288-K317 HydrophobicContact CD2-CG 4.24Å; F288-K317 HydrophobicContact CE2-CB 4.23Å; F288-K317 HydrophobicContact CE2-CG 4.33Å; F288-K317 HydrophobicContact CZ-CB 4.43Å; L314-K317 PolarHBondContact O-N 3.03Å; R315-K317 PolarHBondContact O-N 2.93Å; K317-L321 HydrophobicContact CD-CD1 4.47Å; K317-L321 HydrophobicContact CG-CD1 4.03Å; K317-L321 WeakPolarHBondContact O-CB 3.38Å; K317-L321 WeakPolarHBondContact O-CG 3.22Å; K317-L321 PolarHBondContact O-N 3.35Å; K317-Q326 VanDerWaalsContact CE-OE1 3.23Å
318	A	98.6	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-44.2	-178.8	0	0	0	0	0	112.5	W284 F288 I310 L314 R315 L321 L322	W284-A318 HydrophobicContact CZ3-CB 4.3Å; F288-A318 HydrophobicContact CE1-CB 3.95Å; F288-A318 HydrophobicContact CZ-CB 3.85Å; I310-A318 HydrophobicContact CD1-CB 3.9Å; I310-A318 HydrophobicContact CG2-CB 3.68Å; L314-A318 WeakPolarHBondContact O-CB 3.47Å; L314-A318 PolarHBondContact O-N 3.26Å; R315-A318 PolarHBondContact O-N 3.28Å; A318-L321 PolarHBondContact O-N 2.97Å; A318-L322 VanDerWaalsContact O-CB 3.25Å; A318-L322 WeakPolarHBondContact O-CB 3.38Å; A318-L322 WeakPolarHBondContact O-CD1 3.47Å; A318-L322 WeakPolarHBondContact O-CG 3.47Å; A318-L322 PolarHBondContact O-N 3.26Å
319	W	98.6	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-44.4	179.3	-70.7	-1.2	0	0	0	110.7	R315 L321 L322 S323 V403 L404 H407 M408 L487 W490 D491 F494	R315-W319 HydrophobicContact CB-CD2 4.27Å; R315-W319 VanDerWaalsContact CD-CZ2 3.49Å; R315-W319 HydrophobicContact CG-CZ2 4.42Å; R315-W319 VanDerWaalsContact O-CB 3.31Å; R315-W319 WeakPolarHBondContact O-CB 3.38Å; R315-W319 PolarHBondContact O-N 2.78Å; W319-L321 PolarHBondContact O-N 2.69Å; W319-L322 PolarHBondContact O-N 3.31Å; W319-L322 VanDerWaalsContact O-N 3.17Å; W319-S323 WeakPolarHBondContact O-CB 3.35Å; W319-S323 PolarHBondContact O-N 2.83Å; W319-S323 PolarHBondContact O-OG 3.26Å; W319-V403 HydrophobicContact CH2-CG1 4.15Å; W319-V403 HydrophobicContact CZ3-CG1 4.33Å; W319-L404 HydrophobicContact CE3-CD2 4.02Å; W319-L404 HydrophobicContact CZ3-CD2 4.25Å; W319-H407 AromaticContact CH2-CE1 3.98Å; W319-H407 AromaticContact CH2-ND1 3.83Å; W319-H407 HydrophobicContact CZ3-CB 4.23Å; W319-H407 AromaticContact CZ3-CG 3.99Å; W319-H407 AromaticContact CZ3-ND1 3.73Å; W319-M408 HydrophobicContact CE3-CE 3.86Å; W319-L487 HydrophobicContact CH2-CD2 4.41Å; W319-W490 HydrophobicContact CE3-CE3 4.43Å; W319-W490 HydrophobicContact CH2-CB 4.03Å; W319-W490 HydrophobicContact CH2-CD2 4.36Å; W319-W490 AromaticContact CH2-CE3 3.85Å; W319-W490 HydrophobicContact CH2-CE3 3.85Å; W319-W490 HydrophobicContact CH2-CG 4.47Å; W319-W490 HydrophobicContact CZ2-CB 3.62Å; W319-W490 HydrophobicContact CZ2-CE3 4.38Å; W319-W490 AromaticContact CZ3-CE3 3.88Å; W319-W490 HydrophobicContact CZ3-CE3 3.88Å; W319-W490 HydrophobicContact CZ3-CZ3 4.36Å; W319-D491 PolarHBondContact NE1-OD1 3.21Å; W319-F494 HydrophobicContact CB-CD2 3.87Å; W319-F494 HydrophobicContact CB-CE2 3.78Å; W319-F494 HydrophobicContact CB-CZ 4.39Å; W319-F494 AromaticContact CD1-CD2 3.74Å; W319-F494 AromaticContact CD2-CD2 3.89Å; W319-F494 HydrophobicContact CD2-CD2 3.89Å; W319-F494 AromaticContact CD2-CE2 3.58Å; W319-F494 HydrophobicContact CD2-CE2 3.58Å; W319-F494 AromaticContact CE3-CE2 3.82Å; W319-F494 HydrophobicContact CE3-CE2 3.82Å; W319-F494 AromaticContact CG-CD2 3.56Å; W319-F494 HydrophobicContact CG-CD2 3.56Å; W319-F494 AromaticContact CG-CE2 3.6Å; W319-F494 HydrophobicContact CG-CE2 3.6Å
320	Q	98.3	Very high	96.8	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.065	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-40.1	174.2	-71.7	175.2	71.7	0	0	113.6	S316 S323 D324 S325 Q326 M408	S316-Q320 VanDerWaalsContact O-CG 3.31Å; S316-Q320 WeakPolarHBondContact O-CG 3.34Å; S316-Q320 PolarHBondContact O-N 2.65Å; S316-Q320 PolarHBondContact O-NE2 3.2Å; S316-Q320 PolarHBondContact OG-NE2 3.36Å; Q320-S323 WeakPolarHBondContact CA-OG 3.48Å; Q320-S323 PolarHBondContact O-OG 3.05Å; Q320-S323 VanDerWaalsContact O-OG 3.13Å; Q320-D324 CarbonylContact O-C 3.6Å; Q320-D324 WeakPolarHBondContact O-CA 3.27Å; Q320-D324 PolarHBondContact O-N 3.04Å; Q320-S325 WeakPolarHBondContact CA-OG 3.38Å; Q320-S325 PolarHBondContact O-N 3.29Å; Q320-S325 VanDerWaalsContact O-N 3.15Å; Q320-Q326 HydrophobicContact CB-CB 4.14Å; Q320-Q326 PolarHBondContact O-N 3.31Å; Q320-M408 HydrophobicContact CG-SD 4.3Å
321	L	97.9	Very high	96.8	Very high	20 Å²	20	36.3 Å²	36.3	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-74.4	-29.6	175.7	-75.5	173.9	0	0	0	113.1	F288 W291 K317 A318 W319	F288-L321 HydrophobicContact CB-CD1 4.11Å; F288-L321 HydrophobicContact CD1-CD1 3.45Å; F288-L321 VanDerWaalsContact CD1-CD1 3.45Å; F288-L321 HydrophobicContact CE1-CD1 4.09Å; F288-L321 HydrophobicContact CG-CD1 3.95Å; W291-L321 HydrophobicContact CD2-CB 4.1Å; W291-L321 HydrophobicContact CD2-CD1 4.36Å; W291-L321 VanDerWaalsContact CE2-O 3.31Å; W291-L321 HydrophobicContact CG-CB 4.45Å; W291-L321 HydrophobicContact CG-CD1 4.44Å; W291-L321 HydrophobicContact CG-CD2 4.1Å; W291-L321 HydrophobicContact CH2-CB 4.48Å; W291-L321 HydrophobicContact CZ2-CB 3.91Å; W291-L321 VanDerWaalsContact CZ2-O 3.28Å; W291-L321 WeakPolarHBondContact CZ2-O 3.39Å; W291-L321 PolarHBondContact NE1-O 3.34Å; K317-L321 HydrophobicContact CD-CD1 4.47Å; K317-L321 HydrophobicContact CG-CD1 4.03Å; K317-L321 WeakPolarHBondContact O-CB 3.38Å; K317-L321 WeakPolarHBondContact O-CG 3.22Å; K317-L321 PolarHBondContact O-N 3.35Å; A318-L321 PolarHBondContact O-N 2.97Å; W319-L321 PolarHBondContact O-N 2.69Å
322	L	98.1	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-77.9	-30.7	175.9	-72.6	164.7	0	0	0	112.4	W291 V302 I310 A318 W319 Y424 F494 C495 T588	W291-L322 HydrophobicContact CH2-CD2 3.64Å; W291-L322 HydrophobicContact CH2-CG 3.98Å; W291-L322 HydrophobicContact CZ2-CD2 3.86Å; W291-L322 HydrophobicContact CZ2-CG 4.11Å; V302-L322 HydrophobicContact CG1-CD2 4.25Å; I310-L322 HydrophobicContact CD1-CD1 3.77Å; A318-L322 VanDerWaalsContact O-CB 3.25Å; A318-L322 WeakPolarHBondContact O-CB 3.38Å; A318-L322 WeakPolarHBondContact O-CD1 3.47Å; A318-L322 WeakPolarHBondContact O-CG 3.47Å; A318-L322 PolarHBondContact O-N 3.26Å; W319-L322 PolarHBondContact O-N 3.31Å; W319-L322 VanDerWaalsContact O-N 3.17Å; L322-Y424 PolarHBondContact O-OH 3.1Å; L322-F494 HydrophobicContact CB-CB 3.74Å; L322-F494 HydrophobicContact CD1-CB 4.28Å; L322-C495 HydrophobicContact CD2-CB 3.93Å; L322-T588 WeakPolarHBondContact CA-OG1 3.49Å; L322-T588 WeakPolarHBondContact CB-OG1 3.48Å; L322-T588 HydrophobicContact CD2-CG2 4.29Å; L322-T588 VanDerWaalsContact CD2-OG1 3.22Å; L322-T588 WeakPolarHBondContact CD2-OG1 3.32Å; L322-T588 WeakPolarHBondContact O-CA 3.22Å; L322-T588 VanDerWaalsContact O-CB 3.28Å; L322-T588 WeakPolarHBondContact O-CB 3.47Å; L322-T588 PolarHBondContact O-OG1 2.85Å
323	S	96.9	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-88.4	-17	177.1	68	0	0	0	0	113.7	W319 Q320 S325 Q419 I591	W319-S323 WeakPolarHBondContact O-CB 3.35Å; W319-S323 PolarHBondContact O-N 2.83Å; W319-S323 PolarHBondContact O-OG 3.26Å; Q320-S323 WeakPolarHBondContact CA-OG 3.48Å; Q320-S323 PolarHBondContact O-OG 3.05Å; Q320-S323 VanDerWaalsContact O-OG 3.13Å; S323-S325 PolarHBondContact O-N 2.94Å; S323-S325 WeakPolarHBondContact OG-CB 3.49Å; S323-S325 PolarHBondContact OG-N 2.67Å; S323-S325 PolarHBondContact OG-OG 2.94Å; S323-Q419 PolarHBondContact O-NE2 2.85Å; S323-I591 WeakPolarHBondContact O-CD1 3.27Å
324	D	95.8	Very high	97.3	Very high	27 Å²	27	38.4 Å²	38.4	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	15.1	-168.5	-132.6	6.9	0	0	0	112.9	Q320 Q326 E327 I591 K595	Q320-D324 CarbonylContact O-C 3.6Å; Q320-D324 WeakPolarHBondContact O-CA 3.27Å; Q320-D324 PolarHBondContact O-N 3.04Å; D324-Q326 VanDerWaalsContact C-N 3.26Å; D324-Q326 PolarHBondContact O-N 3.27Å; D324-E327 PolarHBondContact O-N 3.34Å; D324-I591 HydrophobicContact CB-CG2 3.67Å; D324-I591 WeakPolarHBondContact OD2-CG2 3.46Å; D324-K595 IonicContact OD1-NZ 2.75Å; D324-K595 PolarHBondContact OD1-NZ 3.49Å; D324-K595 WeakPolarHBondContact OD2-CD 3.31Å; D324-K595 IonicContact OD2-NZ 2.7Å
325	S	97.3	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.4	-20.1	176.4	61.7	0	0	0	0	113.6	Q320 S323 E327 L328 L329 W415 C416	Q320-S325 WeakPolarHBondContact CA-OG 3.38Å; Q320-S325 PolarHBondContact O-N 3.29Å; Q320-S325 VanDerWaalsContact O-N 3.15Å; S323-S325 PolarHBondContact O-N 2.94Å; S323-S325 WeakPolarHBondContact OG-CB 3.49Å; S323-S325 PolarHBondContact OG-N 2.67Å; S323-S325 PolarHBondContact OG-OG 2.94Å; S325-E327 VanDerWaalsContact C-N 3.28Å; S325-E327 PolarHBondContact O-N 3.45Å; S325-L328 PolarHBondContact O-N 3.43Å; S325-L329 PolarHBondContact O-N 2.7Å; S325-W415 VanDerWaalsContact CB-C 3.49Å; S325-W415 VanDerWaalsContact CB-O 3.22Å; S325-W415 WeakPolarHBondContact CB-O 3.22Å; S325-C416 PolarHBondContact OG-SG 3.06Å
326	Q	96.6	Very high	97.3	Very high	31 Å²	31	39 Å²	39	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-40.8	171.5	-177.8	178.3	-33.5	0	0	111.5	K317 Q320 D324 L328 L329 E330	K317-Q326 VanDerWaalsContact CE-OE1 3.23Å; Q320-Q326 HydrophobicContact CB-CB 4.14Å; Q320-Q326 PolarHBondContact O-N 3.31Å; D324-Q326 VanDerWaalsContact C-N 3.26Å; D324-Q326 PolarHBondContact O-N 3.27Å; Q326-L328 VanDerWaalsContact C-N 3.33Å; Q326-L329 PolarHBondContact O-N 3.04Å; Q326-E330 HydrophobicContact CG-CG 4.34Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.32Å; Q326-E330 PolarHBondContact NE2-OE1 3.31Å; Q326-E330 WeakPolarHBondContact O-CB 3.23Å; Q326-E330 WeakPolarHBondContact O-CG 3.5Å; Q326-E330 PolarHBondContact O-N 2.74Å
327	E	94.6	Very high	97.3	Very high	85 Å²	85	40 Å²	40	40%	0.397	22%	0.224	S	C	.	.	H	α-helix	trans	-69.7	-32	178.4	-179.4	172.7	-112.8	0	0	111.7	D324 S325 A331 K595	D324-E327 PolarHBondContact O-N 3.34Å; S325-E327 VanDerWaalsContact C-N 3.28Å; S325-E327 PolarHBondContact O-N 3.45Å; E327-A331 WeakPolarHBondContact O-CB 3.13Å; E327-A331 PolarHBondContact O-N 2.77Å; E327-K595 VanDerWaalsContact CD-CE 3.45Å; E327-K595 WeakPolarHBondContact OE1-CE 3.41Å; E327-K595 IonicContact OE1-NZ 3.63Å; E327-K595 PolarHBondContact OE1-NZ 2.96Å; E327-K595 WeakPolarHBondContact OE2-CD 3.34Å; E327-K595 WeakPolarHBondContact OE2-CE 3.23Å; E327-K595 IonicContact OE2-NZ 3.76Å; E327-K595 PolarHBondContact OE2-NZ 3.31Å
328	L	95.6	Very high	97.3	Very high	40 Å²	40	40.6 Å²	40.6	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-43.7	172.2	-64.4	-172.3	0	0	0	111.3	S325 Q326 A331 N332 W415 V418 Q419	S325-L328 PolarHBondContact O-N 3.43Å; Q326-L328 VanDerWaalsContact C-N 3.33Å; L328-A331 PolarHBondContact O-N 2.84Å; L328-N332 WeakPolarHBondContact O-CB 3.48Å; L328-N332 PolarHBondContact O-N 3.09Å; L328-N332 VanDerWaalsContact O-N 3.09Å; L328-N332 PolarHBondContact O-ND2 2.85Å; L328-W415 HydrophobicContact CB-CD2 4.03Å; L328-W415 HydrophobicContact CB-CE3 3.62Å; L328-W415 HydrophobicContact CB-CG 4.5Å; L328-W415 HydrophobicContact CB-CZ3 4.1Å; L328-W415 HydrophobicContact CD1-CE3 3.92Å; L328-W415 HydrophobicContact CD1-CZ3 4.36Å; L328-W415 HydrophobicContact CG-CE3 4.43Å; L328-V418 HydrophobicContact CD1-CG1 4.05Å; L328-Q419 HydrophobicContact CD1-CG 3.85Å
329	L	97.1	Very high	97.3	Very high	32 Å²	32	40.8 Å²	40.8	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-51.2	176.3	-169.7	159.2	0	0	0	111.2	S325 Q326 A331 N332 E411 Q412 W415	S325-L329 PolarHBondContact O-N 2.7Å; Q326-L329 PolarHBondContact O-N 3.04Å; L329-A331 PolarHBondContact O-N 3.03Å; L329-N332 CarbonylContact O-C 3.48Å; L329-N332 PolarHBondContact O-N 2.92Å; L329-N332 VanDerWaalsContact O-N 3.13Å; L329-E411 HydrophobicContact CD1-CG 3.86Å; L329-E411 HydrophobicContact CG-CG 4.2Å; L329-Q412 HydrophobicContact CD1-CB 4.48Å; L329-Q412 HydrophobicContact CD1-CG 3.66Å; L329-W415 HydrophobicContact CB-CG 4.16Å
330	E	96.9	Very high	97.1	Very high	124 Å²	124	43.4 Å²	43.4	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-62.4	-28.3	179.6	-72.1	169.3	176.5	0	0	112.9	Q326	Q326-E330 HydrophobicContact CG-CG 4.34Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.32Å; Q326-E330 PolarHBondContact NE2-OE1 3.31Å; Q326-E330 WeakPolarHBondContact O-CB 3.23Å; Q326-E330 WeakPolarHBondContact O-CG 3.5Å; Q326-E330 PolarHBondContact O-N 2.74Å
331	A	96.9	Very high	97	Very high	69 Å²	69	51.6 Å²	51.6	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-88.4	-10.7	177	0	0	0	0	0	114.9	E327 L328 L329 P333	E327-A331 WeakPolarHBondContact O-CB 3.13Å; E327-A331 PolarHBondContact O-N 2.77Å; L328-A331 PolarHBondContact O-N 2.84Å; L329-A331 PolarHBondContact O-N 3.03Å; A331-P333 VanDerWaalsContact C-CD 3.45Å
332	N	97.5	Very high	97	Very high	61 Å²	61	53.9 Å²	53.9	33%	0.326	28%	0.281	S	S	.	.	S	Bend	trans	-132.2	53.4	-176.2	-62.6	-94.3	0	0	0	112.2	L328 L329 G334 K335 W415	L328-N332 WeakPolarHBondContact O-CB 3.48Å; L328-N332 PolarHBondContact O-N 3.09Å; L328-N332 VanDerWaalsContact O-N 3.09Å; L328-N332 PolarHBondContact O-ND2 2.85Å; L329-N332 CarbonylContact O-C 3.48Å; L329-N332 PolarHBondContact O-N 2.92Å; L329-N332 VanDerWaalsContact O-N 3.13Å; N332-G334 PolarHBondContact O-N 2.99Å; N332-K335 HydrophobicContact CB-CB 3.96Å; N332-K335 WeakPolarHBondContact O-CB 3.44Å; N332-K335 PolarHBondContact O-N 2.69Å; N332-K335 VanDerWaalsContact O-N 3.15Å; N332-W415 HydrophobicContact CB-CH2 3.66Å; N332-W415 HydrophobicContact CB-CZ2 3.48Å; N332-W415 VanDerWaalsContact CB-CZ2 3.48Å
333	P	97.2	Very high	96.9	Very high	110 Å²	110	59.6 Å²	59.6	71%	0.714	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	128.2	-175.9	26.1	-35.6	0	0	0	111.8	A331 K335	A331-P333 VanDerWaalsContact C-CD 3.45Å; P333-K335 PolarHBondContact O-N 2.9Å
334	G	97.4	Very high	96.8	Very high	37 Å²	37	60.4 Å²	60.4	38%	0.381	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-6.5	179.6	0	0	0	0	0	115.6	N332 F336 D337 E338	N332-G334 PolarHBondContact O-N 2.99Å; G334-F336 VanDerWaalsContact C-N 3.25Å; G334-F336 PolarHBondContact O-N 3.12Å; G334-D337 PolarHBondContact O-N 3.22Å; G334-E338 PolarHBondContact O-N 2.91Å; G334-E338 VanDerWaalsContact O-N 3.08Å
335	K	98.3	Very high	96.8	Very high	47 Å²	47	63.1 Å²	63.1	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-26.5	-178	-176.2	54.3	-176.9	161.2	0	112.8	N332 P333 E338 L339 E342 W415	N332-K335 HydrophobicContact CB-CB 3.96Å; N332-K335 WeakPolarHBondContact O-CB 3.44Å; N332-K335 PolarHBondContact O-N 2.69Å; N332-K335 VanDerWaalsContact O-N 3.15Å; P333-K335 PolarHBondContact O-N 2.9Å; K335-E338 HydrophobicContact CD-CB 4.15Å; K335-E338 VanDerWaalsContact CD-CD 3.49Å; K335-E338 HydrophobicContact CD-CG 4.31Å; K335-E338 WeakPolarHBondContact CD-OE2 3.38Å; K335-E338 IonicContact NZ-OE1 2.7Å; K335-E338 PolarHBondContact NZ-OE1 3Å; K335-E338 IonicContact NZ-OE2 3.03Å; K335-E338 PolarHBondContact O-N 3.02Å; K335-L339 HydrophobicContact CD-CD1 4.38Å; K335-L339 HydrophobicContact CD-CG 4.17Å; K335-L339 HydrophobicContact CG-CD1 4.05Å; K335-L339 HydrophobicContact CG-CG 4.37Å; K335-L339 WeakPolarHBondContact O-CB 3.27Å; K335-L339 WeakPolarHBondContact O-CD1 3.5Å; K335-L339 WeakPolarHBondContact O-CG 3.46Å; K335-L339 PolarHBondContact O-N 3.17Å; K335-E342 IonicContact NZ-OE1 3.71Å; K335-E342 PolarHBondContact NZ-OE1 3.19Å; K335-E342 VanDerWaalsContact NZ-OE1 3.15Å; K335-W415 HydrophobicContact CB-CZ2 4.32Å
336	F	98.3	Very high	96.7	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.009	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-50.1	172.4	177.2	-110.1	0	0	0	111.5	G334 E338 L339 E340 R379 I380 A383 A410 E411 F414	G334-F336 VanDerWaalsContact C-N 3.25Å; G334-F336 PolarHBondContact O-N 3.12Å; F336-E338 PolarHBondContact O-N 2.99Å; F336-L339 PolarHBondContact O-N 3.15Å; F336-E340 WeakPolarHBondContact O-CB 3.31Å; F336-E340 PolarHBondContact O-N 3.39Å; F336-R379 HydrophobicContact CZ-CB 4.19Å; F336-I380 HydrophobicContact CZ-CG1 4.48Å; F336-A383 HydrophobicContact CD2-CB 4.02Å; F336-A383 HydrophobicContact CE2-CB 3.77Å; F336-A410 HydrophobicContact CE1-CB 3.97Å; F336-A410 HydrophobicContact CZ-CB 3.92Å; F336-E411 HydrophobicContact CB-CB 4.23Å; F336-E411 HydrophobicContact CB-CG 3.84Å; F336-E411 HydrophobicContact CD1-CB 3.79Å; F336-E411 HydrophobicContact CD1-CG 4.35Å; F336-E411 HydrophobicContact CE1-CB 4.4Å; F336-E411 HydrophobicContact CG-CB 4.04Å; F336-E411 HydrophobicContact CG-CG 4.18Å; F336-F414 HydrophobicContact CB-CD1 4.44Å; F336-F414 HydrophobicContact CD2-CB 3.65Å; F336-F414 AromaticContact CD2-CD1 3.66Å; F336-F414 HydrophobicContact CD2-CD1 3.66Å; F336-F414 HydrophobicContact CD2-CD2 4.01Å; F336-F414 HydrophobicContact CD2-CE1 4.33Å; F336-F414 AromaticContact CD2-CG 3.49Å; F336-F414 HydrophobicContact CD2-CG 3.49Å; F336-F414 VanDerWaalsContact CD2-CG 3.49Å; F336-F414 HydrophobicContact CE2-CB 3.61Å; F336-F414 HydrophobicContact CE2-CD1 4.43Å; F336-F414 HydrophobicContact CE2-CD2 4.11Å; F336-F414 AromaticContact CE2-CG 3.8Å; F336-F414 HydrophobicContact CE2-CG 3.8Å; F336-F414 HydrophobicContact CG-CD1 4.44Å
337	D	97.9	Very high	96.6	Very high	58 Å²	58	69.8 Å²	69.8	31%	0.31	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-25.1	179.1	-48.9	-21.6	0	0	0	112.4	G334 R341	G334-D337 PolarHBondContact O-N 3.22Å; D337-R341 VanDerWaalsContact O-CG 3.25Å; D337-R341 WeakPolarHBondContact O-CG 3.24Å; D337-R341 PolarHBondContact O-N 3.49Å; D337-R341 PolarHBondContact O-NH1 2.91Å
338	E	98.2	Very high	96.7	Very high	96 Å²	96	68.1 Å²	68.1	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-54	170.9	-172	-170.2	147.4	0	0	110.3	G334 K335 F336 E340 R341 E342	G334-E338 PolarHBondContact O-N 2.91Å; G334-E338 VanDerWaalsContact O-N 3.08Å; K335-E338 HydrophobicContact CD-CB 4.15Å; K335-E338 VanDerWaalsContact CD-CD 3.49Å; K335-E338 HydrophobicContact CD-CG 4.31Å; K335-E338 WeakPolarHBondContact CD-OE2 3.38Å; K335-E338 IonicContact NZ-OE1 2.7Å; K335-E338 PolarHBondContact NZ-OE1 3Å; K335-E338 IonicContact NZ-OE2 3.03Å; K335-E338 PolarHBondContact O-N 3.02Å; F336-E338 PolarHBondContact O-N 2.99Å; E338-E340 PolarHBondContact O-N 3.09Å; E338-R341 PolarHBondContact O-N 2.92Å; E338-E342 WeakPolarHBondContact O-CG 3.43Å; E338-E342 PolarHBondContact O-N 3.05Å
339	L	98.1	Very high	96.8	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-28.9	176.7	-67.1	163.3	0	0	0	113.2	K335 F336 A383 V386 Y387 F414	K335-L339 HydrophobicContact CD-CD1 4.38Å; K335-L339 HydrophobicContact CD-CG 4.17Å; K335-L339 HydrophobicContact CG-CD1 4.05Å; K335-L339 HydrophobicContact CG-CG 4.37Å; K335-L339 WeakPolarHBondContact O-CB 3.27Å; K335-L339 WeakPolarHBondContact O-CD1 3.5Å; K335-L339 WeakPolarHBondContact O-CG 3.46Å; K335-L339 PolarHBondContact O-N 3.17Å; F336-L339 PolarHBondContact O-N 3.15Å; L339-A383 HydrophobicContact CB-CB 3.93Å; L339-V386 HydrophobicContact CD2-CB 4.08Å; L339-V386 HydrophobicContact CD2-CG1 3.65Å; L339-Y387 HydrophobicContact CD1-CD2 3.98Å; L339-Y387 HydrophobicContact CD1-CG 4.32Å; L339-F414 HydrophobicContact CD1-CE1 4.16Å; L339-F414 HydrophobicContact CD1-CE2 4.33Å; L339-F414 HydrophobicContact CD1-CZ 3.59Å
340	E	94.7	Very high	96.7	Very high	54 Å²	54	70 Å²	70	25%	0.252	38%	0.379	S	S	.	.	H	α-helix	trans	-70.5	-37.9	173.1	-172.3	-171.7	164	0	0	112.1	F336 E338 R379 K382	F336-E340 WeakPolarHBondContact O-CB 3.31Å; F336-E340 PolarHBondContact O-N 3.39Å; E338-E340 PolarHBondContact O-N 3.09Å; E340-R379 HydrophobicContact CG-CB 4.47Å; E340-R379 HydrophobicContact CG-CG 4.29Å; E340-R379 WeakPolarHBondContact OE1-CD 3.38Å; E340-R379 WeakPolarHBondContact OE1-CG 3.36Å; E340-R379 IonicContact OE1-CZ 2.9Å; E340-R379 IonicContact OE1-NE 3.99Å; E340-R379 PolarHBondContact OE1-NE 3.02Å; E340-R379 IonicContact OE1-NH2 3.3Å; E340-R379 IonicContact OE2-CZ 3.76Å; E340-R379 VanDerWaalsContact OE2-CZ 3.27Å; E340-R379 IonicContact OE2-NE 3.32Å; E340-R379 PolarHBondContact OE2-NE 3.02Å; E340-R379 IonicContact OE2-NH2 2.91Å; E340-R379 PolarHBondContact OE2-NH2 3.3Å; E340-K382 PolarHBondContact O-NZ 3.26Å
341	R	96.8	Very high	96.6	Very high	187 Å²	187	67.2 Å²	67.2	71%	0.706	37%	0.368	S	S	*	.	H	α-helix	trans	-77.5	-31.1	178.7	-70.7	176	-163.2	102.8	-1.3	112.5	D337 E338	D337-R341 VanDerWaalsContact O-CG 3.25Å; D337-R341 WeakPolarHBondContact O-CG 3.24Å; D337-R341 PolarHBondContact O-N 3.49Å; D337-R341 PolarHBondContact O-NH1 2.91Å; E338-R341 PolarHBondContact O-N 2.92Å
342	E	97.2	Very high	96.7	Very high	67 Å²	67	64 Å²	64	31%	0.313	34%	0.341	S	S	.	.	S	Bend	trans	-56.9	145.5	174	-76.3	178.3	-128.4	0	0	112.1	K335 E338 G344 K382 V386	K335-E342 IonicContact NZ-OE1 3.71Å; K335-E342 PolarHBondContact NZ-OE1 3.19Å; K335-E342 VanDerWaalsContact NZ-OE1 3.15Å; E338-E342 WeakPolarHBondContact O-CG 3.43Å; E338-E342 PolarHBondContact O-N 3.05Å; E342-G344 PolarHBondContact O-N 3.22Å; E342-K382 WeakPolarHBondContact O-CE 3.49Å; E342-K382 PolarHBondContact O-NZ 3.41Å; E342-V386 HydrophobicContact CB-CG1 3.8Å; E342-V386 HydrophobicContact CG-CG1 4.44Å; E342-V386 WeakPolarHBondContact OE2-CG1 3.48Å
343	P	95.6	Very high	96.6	Very high	121 Å²	121	65.8 Å²	65.8	79%	0.786	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-74.5	126	177.9	29.7	-33.4	0	0	0	111.2
344	G	94.2	Very high	96.4	Very high	17 Å²	17	66.1 Å²	66.1	18%	0.175	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-83.2	156.7	171.9	0	0	0	0	0	112	E342 A346	E342-G344 PolarHBondContact O-N 3.22Å; G344-A346 PolarHBondContact O-N 3.24Å
345	E	95.8	Very high	96.2	Very high	84 Å²	84	64.5 Å²	64.5	39%	0.393	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-65.9	123.6	173.2	-58.3	-171.4	-92.4	0	0	110.6	K347 W348 L349	E345-K347 HydrophobicContact CB-CD 4.49Å; E345-K347 HydrophobicContact CB-CG 4.17Å; E345-K347 VanDerWaalsContact CD-CE 3.49Å; E345-K347 PolarHBondContact O-N 3.49Å; E345-K347 WeakPolarHBondContact OE1-CE 3.39Å; E345-K347 IonicContact OE1-NZ 3.63Å; E345-K347 PolarHBondContact OE1-NZ 2.72Å; E345-K347 WeakPolarHBondContact OE2-CE 3.39Å; E345-K347 IonicContact OE2-NZ 2.86Å; E345-K347 PolarHBondContact OE2-NZ 3.16Å; E345-W348 PolarHBondContact O-N 3.24Å; E345-W348 PolarHBondContact OE1-NE1 2.96Å; E345-L349 PolarHBondContact O-N 3.24Å
346	A	95.9	Very high	96.1	Very high	64 Å²	64	63.1 Å²	63.1	53%	0.529	32%	0.315	S	S	.	.	H	α-helix	trans	-49.7	-39.7	-178.1	0	0	0	0	0	113.2	G344 W348 L349 D350	G344-A346 PolarHBondContact O-N 3.24Å; A346-W348 PolarHBondContact O-N 3.27Å; A346-L349 PolarHBondContact O-N 2.82Å; A346-L349 VanDerWaalsContact O-N 3.09Å; A346-D350 WeakPolarHBondContact O-CB 3.37Å; A346-D350 PolarHBondContact O-N 2.88Å
347	K	95.4	Very high	95.6	Very high	107 Å²	107	67.7 Å²	67.7	47%	0.465	34%	0.336	S	S	.	.	H	α-helix	trans	-54.4	-27.4	177	82.5	-168.2	-172.1	-153.7	0	114.2	E345 I351	E345-K347 HydrophobicContact CB-CD 4.49Å; E345-K347 HydrophobicContact CB-CG 4.17Å; E345-K347 VanDerWaalsContact CD-CE 3.49Å; E345-K347 PolarHBondContact O-N 3.49Å; E345-K347 WeakPolarHBondContact OE1-CE 3.39Å; E345-K347 IonicContact OE1-NZ 3.63Å; E345-K347 PolarHBondContact OE1-NZ 2.72Å; E345-K347 WeakPolarHBondContact OE2-CE 3.39Å; E345-K347 IonicContact OE2-NZ 2.86Å; E345-K347 PolarHBondContact OE2-NZ 3.16Å; K347-I351 VanDerWaalsContact O-CD1 3.24Å; K347-I351 WeakPolarHBondContact O-CD1 3.47Å; K347-I351 VanDerWaalsContact O-CG1 3.31Å; K347-I351 WeakPolarHBondContact O-CG1 3.02Å
348	W	96.3	Very high	95.3	Very high	49 Å²	49	68.2 Å²	68.2	19%	0.186	33%	0.334	C	S	.	.	H	α-helix	trans	-90.3	-41.9	175.8	-58.3	133.8	0	0	0	111.6	E345 A346 D350 I351 I352 T385 G392 Y393	E345-W348 PolarHBondContact O-N 3.24Å; E345-W348 PolarHBondContact OE1-NE1 2.96Å; A346-W348 PolarHBondContact O-N 3.27Å; W348-D350 VanDerWaalsContact C-N 3.31Å; W348-D350 PolarHBondContact O-N 2.94Å; W348-I351 HydrophobicContact CE3-CD1 4.34Å; W348-I351 PolarHBondContact O-N 2.85Å; W348-I352 HydrophobicContact CB-CD1 4.47Å; W348-I352 VanDerWaalsContact O-CG1 3.3Å; W348-I352 WeakPolarHBondContact O-CG1 3.26Å; W348-I352 PolarHBondContact O-N 3.05Å; W348-T385 HydrophobicContact CB-CG2 3.93Å; W348-T385 HydrophobicContact CG-CG2 4.03Å; W348-G392 VanDerWaalsContact CE2-CA 3.46Å; W348-Y393 WeakPolarHBondContact CZ3-O 3.07Å
349	L	96.5	Very high	95.1	Very high	28 Å²	28	64 Å²	64	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-47.1	178.5	-52.6	-177.4	0	0	0	110.6	E345 A346 I351 I352 E353 Y378 K382	E345-L349 PolarHBondContact O-N 3.24Å; A346-L349 PolarHBondContact O-N 2.82Å; A346-L349 VanDerWaalsContact O-N 3.09Å; L349-I351 PolarHBondContact O-N 3.21Å; L349-I351 VanDerWaalsContact O-N 3.11Å; L349-I352 PolarHBondContact O-N 2.81Å; L349-I352 VanDerWaalsContact O-N 3.13Å; L349-E353 WeakPolarHBondContact O-CG 3.39Å; L349-E353 PolarHBondContact O-N 3.14Å; L349-Y378 HydrophobicContact CD2-CE2 4.49Å; L349-K382 HydrophobicContact CD2-CB 4.26Å; L349-K382 HydrophobicContact CD2-CD 4.31Å; L349-K382 HydrophobicContact CD2-CG 3.88Å
350	D	95.6	Very high	94.8	Very high	84 Å²	84	65.2 Å²	65.2	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-50.4	-33.5	172.8	-95.3	44.5	0	0	0	114.5	A346 W348 K354	A346-D350 WeakPolarHBondContact O-CB 3.37Å; A346-D350 PolarHBondContact O-N 2.88Å; W348-D350 VanDerWaalsContact C-N 3.31Å; W348-D350 PolarHBondContact O-N 2.94Å; D350-K354 WeakPolarHBondContact O-CD 3.37Å; D350-K354 VanDerWaalsContact O-CE 3.29Å; D350-K354 WeakPolarHBondContact O-CE 3.39Å; D350-K354 WeakPolarHBondContact O-CG 3.29Å; D350-K354 PolarHBondContact O-NZ 2.83Å; D350-K354 IonicContact OD2-NZ 3.43Å; D350-K354 PolarHBondContact OD2-NZ 3.2Å
351	I	95.8	Very high	94.7	Very high	66 Å²	66	65.1 Å²	65.1	34%	0.338	32%	0.323	S	S	.	.	H	α-helix	trans	-89.6	-41.9	-179.2	-56.8	172.1	0	0	0	109.2	K347 W348 L349 E353 K354 D355 Y393	K347-I351 VanDerWaalsContact O-CD1 3.24Å; K347-I351 WeakPolarHBondContact O-CD1 3.47Å; K347-I351 VanDerWaalsContact O-CG1 3.31Å; K347-I351 WeakPolarHBondContact O-CG1 3.02Å; W348-I351 HydrophobicContact CE3-CD1 4.34Å; W348-I351 PolarHBondContact O-N 2.85Å; L349-I351 PolarHBondContact O-N 3.21Å; L349-I351 VanDerWaalsContact O-N 3.11Å; I351-E353 VanDerWaalsContact C-N 3.33Å; I351-E353 PolarHBondContact O-N 3.29Å; I351-K354 CarbonylContact O-C 3.59Å; I351-K354 PolarHBondContact O-N 3.35Å; I351-D355 WeakPolarHBondContact O-CB 3.13Å; I351-D355 VanDerWaalsContact O-CG 3.25Å; I351-D355 PolarHBondContact O-N 3.06Å; I351-Y393 HydrophobicContact CB-CD1 4.18Å; I351-Y393 HydrophobicContact CB-CE1 4.41Å; I351-Y393 HydrophobicContact CG2-CD1 3.88Å; I351-Y393 HydrophobicContact CG2-CE1 3.75Å
352	I	97.6	Very high	94.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.8	-46.5	176.6	-67.2	163.9	0	0	0	110.2	W348 L349 K354 D355 L356 Y378 L381 T385 Y393	W348-I352 HydrophobicContact CB-CD1 4.47Å; W348-I352 VanDerWaalsContact O-CG1 3.3Å; W348-I352 WeakPolarHBondContact O-CG1 3.26Å; W348-I352 PolarHBondContact O-N 3.05Å; L349-I352 PolarHBondContact O-N 2.81Å; L349-I352 VanDerWaalsContact O-N 3.13Å; I352-K354 PolarHBondContact O-N 3.44Å; I352-D355 CarbonylContact O-C 3.46Å; I352-D355 WeakPolarHBondContact O-CA 3.37Å; I352-D355 WeakPolarHBondContact O-CB 3.05Å; I352-D355 PolarHBondContact O-N 3.36Å; I352-L356 HydrophobicContact CG2-CD2 4.09Å; I352-L356 WeakPolarHBondContact O-CG 3.44Å; I352-L356 PolarHBondContact O-N 3.42Å; I352-Y378 HydrophobicContact CG2-CD2 3.7Å; I352-Y378 HydrophobicContact CG2-CE2 4.35Å; I352-Y378 HydrophobicContact CG2-CG 4.47Å; I352-L381 HydrophobicContact CD1-CB 3.94Å; I352-L381 HydrophobicContact CG1-CB 4.15Å; I352-L381 HydrophobicContact CG2-CB 3.93Å; I352-L381 HydrophobicContact CG2-CD1 3.99Å; I352-T385 HydrophobicContact CD1-CG2 4.08Å; I352-Y393 HydrophobicContact CD1-CD2 4.19Å; I352-Y393 HydrophobicContact CD1-CG 4.11Å; I352-Y393 HydrophobicContact CG1-CD1 3.8Å; I352-Y393 HydrophobicContact CG1-CD2 3.75Å; I352-Y393 HydrophobicContact CG1-CE1 4.08Å; I352-Y393 HydrophobicContact CG1-CE2 4.04Å; I352-Y393 HydrophobicContact CG1-CG 3.63Å
353	E	95.3	Very high	94.3	Very high	100 Å²	100	57.5 Å²	57.5	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-38.6	179.4	-69.9	170.4	-151.6	0	0	112.7	L349 I351 D355 Y378	L349-E353 WeakPolarHBondContact O-CG 3.39Å; L349-E353 PolarHBondContact O-N 3.14Å; I351-E353 VanDerWaalsContact C-N 3.33Å; I351-E353 PolarHBondContact O-N 3.29Å; E353-D355 PolarHBondContact O-N 3.15Å; E353-Y378 HydrophobicContact CG-CD2 3.92Å; E353-Y378 HydrophobicContact CG-CE2 3.55Å; E353-Y378 VanDerWaalsContact OE1-CE2 3.27Å; E353-Y378 WeakPolarHBondContact OE1-CE2 3.46Å; E353-Y378 PolarHBondContact OE1-OH 2.7Å
354	K	93.3	Very high	94.2	Very high	117 Å²	117	56.9 Å²	56.9	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-16.7	171.5	-66.3	172.1	-165.5	115.8	0	112.3	D350 I351 I352 H357 R358	D350-K354 WeakPolarHBondContact O-CD 3.37Å; D350-K354 VanDerWaalsContact O-CE 3.29Å; D350-K354 WeakPolarHBondContact O-CE 3.39Å; D350-K354 WeakPolarHBondContact O-CG 3.29Å; D350-K354 PolarHBondContact O-NZ 2.83Å; D350-K354 IonicContact OD2-NZ 3.43Å; D350-K354 PolarHBondContact OD2-NZ 3.2Å; I351-K354 CarbonylContact O-C 3.59Å; I351-K354 PolarHBondContact O-N 3.35Å; I352-K354 PolarHBondContact O-N 3.44Å; K354-H357 PolarHBondContact O-CE1 2.9Å; K354-H357 PolarHBondContact O-ND1 3.13Å; K354-R358 PolarHBondContact O-NH1 3.18Å
355	D	93.6	Very high	94.2	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-93.4	-33.1	179.7	-78.8	16	0	0	0	114	I351 I352 E353 H357 R358 Q359 Y393 Q395	I351-D355 WeakPolarHBondContact O-CB 3.13Å; I351-D355 VanDerWaalsContact O-CG 3.25Å; I351-D355 PolarHBondContact O-N 3.06Å; I352-D355 CarbonylContact O-C 3.46Å; I352-D355 WeakPolarHBondContact O-CA 3.37Å; I352-D355 WeakPolarHBondContact O-CB 3.05Å; I352-D355 PolarHBondContact O-N 3.36Å; E353-D355 PolarHBondContact O-N 3.15Å; D355-H357 PolarHBondContact O-N 3.42Å; D355-R358 PolarHBondContact O-N 3.08Å; D355-R358 IonicContact OD1-CZ 3.89Å; D355-R358 IonicContact OD1-NH1 3.3Å; D355-R358 PolarHBondContact OD1-NH1 3.11Å; D355-R358 IonicContact OD1-NH2 2.76Å; D355-R358 PolarHBondContact OD1-NH2 2.95Å; D355-R358 IonicContact OD2-NH2 2.72Å; D355-R358 PolarHBondContact OD2-NH2 2.86Å; D355-Q359 WeakPolarHBondContact O-CG 3.33Å; D355-Q359 PolarHBondContact O-NE2 2.68Å; D355-Y393 VanDerWaalsContact OD2-CE1 3.27Å; D355-Y393 WeakPolarHBondContact OD2-CE1 3.2Å; D355-Y393 PolarHBondContact OD2-OH 2.98Å; D355-Q395 WeakPolarHBondContact OD2-CG 3.33Å
356	L	95.1	Very high	94.2	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-52	-52	-176.4	-58	178.5	0	0	0	112.5	I352 R358 Q359 Q374 L377 Y378	I352-L356 HydrophobicContact CG2-CD2 4.09Å; I352-L356 WeakPolarHBondContact O-CG 3.44Å; I352-L356 PolarHBondContact O-N 3.42Å; L356-R358 PolarHBondContact O-N 3.1Å; L356-R358 VanDerWaalsContact O-N 3.08Å; L356-Q359 PolarHBondContact O-N 3.39Å; L356-Q359 VanDerWaalsContact O-N 3.07Å; L356-Q374 HydrophobicContact CB-CB 4.43Å; L356-Q374 HydrophobicContact CB-CG 4.5Å; L356-Q374 HydrophobicContact CD1-CB 4.33Å; L356-L377 HydrophobicContact CD2-CB 4.08Å; L356-L377 HydrophobicContact CD2-CD2 3.95Å; L356-L377 HydrophobicContact CD2-CG 3.83Å; L356-Y378 HydrophobicContact CD1-CD2 4.33Å
357	H	88.9	Confident	94	Very high	97 Å²	97	53.5 Å²	53.5	45%	0.449	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.4	-168.4	73.3	-94.3	0	0	0	114.5	K354 D355	K354-H357 PolarHBondContact O-CE1 2.9Å; K354-H357 PolarHBondContact O-ND1 3.13Å; D355-H357 PolarHBondContact O-N 3.42Å
358	R	91.6	Very high	93.8	Very high	70 Å²	70	51 Å²	51	26%	0.264	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	4.4	177.2	72.1	178.2	-166.9	-75.9	-16.3	113.9	S220 K354 D355 L356 F360	S220-R358 PolarHBondContact OG-NE 3.29Å; K354-R358 PolarHBondContact O-NH1 3.18Å; D355-R358 PolarHBondContact O-N 3.08Å; D355-R358 IonicContact OD1-CZ 3.89Å; D355-R358 IonicContact OD1-NH1 3.3Å; D355-R358 PolarHBondContact OD1-NH1 3.11Å; D355-R358 IonicContact OD1-NH2 2.76Å; D355-R358 PolarHBondContact OD1-NH2 2.95Å; D355-R358 IonicContact OD2-NH2 2.72Å; D355-R358 PolarHBondContact OD2-NH2 2.86Å; L356-R358 PolarHBondContact O-N 3.1Å; L356-R358 VanDerWaalsContact O-N 3.08Å; R358-F360 PolarHBondContact O-N 3.42Å
359	Q	93.7	Very high	93.5	Very high	7 Å²	7	59.7 Å²	59.7	3%	0.033	29%	0.29	C	S	.	.	S	Bend	trans	-84.1	109.8	170.2	-56.7	-35	-57.2	0	0	110.2	D355 L356 F366 L377 A398 P399 A402	D355-Q359 WeakPolarHBondContact O-CG 3.33Å; D355-Q359 PolarHBondContact O-NE2 2.68Å; L356-Q359 PolarHBondContact O-N 3.39Å; L356-Q359 VanDerWaalsContact O-N 3.07Å; Q359-F366 WeakPolarHBondContact O-CB 3.4Å; Q359-L377 HydrophobicContact CB-CD2 3.99Å; Q359-L377 HydrophobicContact CG-CD2 3.92Å; Q359-A398 HydrophobicContact CG-CB 3.66Å; Q359-P399 VanDerWaalsContact OE1-CD 3.26Å; Q359-A402 HydrophobicContact CB-CB 4.45Å
360	F	92.2	Very high	93.3	Very high	29 Å²	29	60.4 Å²	60.4	13%	0.127	30%	0.304	C	S	.	.	S	Bend	trans	45.5	53.8	178.5	-54.5	-80.5	0	0	0	113.4	F258 R358 F362 H363 F366 P399 A402 V403 M406 W483	F258-F360 HydrophobicContact CE1-CB 4.31Å; F258-F360 AromaticContact CE1-CD1 3.93Å; F258-F360 HydrophobicContact CE1-CD1 3.93Å; F258-F360 AromaticContact CZ-CD1 3.99Å; F258-F360 HydrophobicContact CZ-CD1 3.99Å; R358-F360 PolarHBondContact O-N 3.42Å; F360-F362 PolarHBondContact O-N 2.85Å; F360-H363 HydrophobicContact CB-CB 4Å; F360-H363 WeakPolarHBondContact O-CB 3.41Å; F360-H363 PolarHBondContact O-N 3.23Å; F360-F366 HydrophobicContact CB-CD2 4.26Å; F360-P399 HydrophobicContact CE2-CB 4.29Å; F360-A402 HydrophobicContact CD2-CB 3.74Å; F360-A402 HydrophobicContact CE2-CB 3.84Å; F360-V403 HydrophobicContact CE2-CG2 4.07Å; F360-V403 HydrophobicContact CZ-CG2 3.85Å; F360-M406 HydrophobicContact CB-CE 3.64Å; F360-M406 HydrophobicContact CD1-CE 4.07Å; F360-M406 HydrophobicContact CD2-CE 3.63Å; F360-M406 HydrophobicContact CE2-CE 4.3Å; F360-M406 HydrophobicContact CG-CE 3.5Å; F360-M406 VanDerWaalsContact CG-CE 3.5Å; F360-W483 HydrophobicContact CE1-CE3 4.41Å; F360-W483 AromaticContact CE1-CZ3 3.85Å; F360-W483 HydrophobicContact CE1-CZ3 3.85Å; F360-W483 HydrophobicContact CZ-CZ3 4.06Å
361	P	91.8	Very high	93.3	Very high	53 Å²	53	57.1 Å²	57.1	34%	0.344	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.5	-172.1	26.5	-36.2	0	0	0	113.9	A367	P361-A367 WeakPolarHBondContact O-CA 3.5Å; P361-A367 WeakPolarHBondContact O-CB 3.48Å
362	F	91.3	Very high	93.3	Very high	82 Å²	82	60.1 Å²	60.1	36%	0.36	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-1	174.9	-55	-70.2	0	0	0	113.7	T225 F258 L259 Y264 F360	T225-F362 HydrophobicContact CG2-CE2 4.44Å; T225-F362 HydrophobicContact CG2-CZ 4.46Å; F258-F362 CarbonylContact C-O 3.57Å; L259-F362 VanDerWaalsContact CB-O 3.25Å; L259-F362 WeakPolarHBondContact CB-O 3.28Å; L259-F362 WeakPolarHBondContact CG-O 3.44Å; L259-F362 PolarHBondContact N-O 3.16Å; Y264-F362 HydrophobicContact CE2-CB 4.06Å; Y264-F362 WeakPolarHBondContact OH-CD2 3.48Å; F360-F362 PolarHBondContact O-N 2.85Å
363	H	94.2	Very high	93.2	Very high	11 Å²	11	60.1 Å²	60.1	5%	0.051	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-92.7	133.6	176.6	-177.9	-77.6	0	0	0	110.6	Y256 G257 F258 F360 M365 F366 A367 M406	Y256-H363 PolarHBondContact O-CD2 2.89Å; Y256-H363 VanDerWaalsContact O-CD2 3.28Å; Y256-H363 PolarHBondContact O-NE2 2.63Å; Y256-H363 VanDerWaalsContact O-NE2 3.1Å; G257-H363 CarbonylContact O-C 3.57Å; G257-H363 WeakPolarHBondContact O-CA 3.4Å; F258-H363 HydrophobicContact CD1-CB 3.9Å; F258-H363 AromaticContact CD2-CD2 3.91Å; F258-H363 HydrophobicContact CE1-CB 3.82Å; F258-H363 AromaticContact CE2-CD2 3.72Å; F258-H363 HydrophobicContact CG-CB 4.44Å; F258-H363 HydrophobicContact CZ-CB 4.29Å; F258-H363 AromaticContact CZ-CD2 3.9Å; F360-H363 HydrophobicContact CB-CB 4Å; F360-H363 WeakPolarHBondContact O-CB 3.41Å; F360-H363 PolarHBondContact O-N 3.23Å; H363-M365 VanDerWaalsContact C-N 3.3Å; H363-M365 VanDerWaalsContact ND1-CB 3.34Å; H363-M365 WeakPolarHBondContact ND1-CB 3.49Å; H363-M365 PolarHBondContact ND1-N 2.78Å; H363-M365 PolarHBondContact O-N 3.26Å; H363-M365 VanDerWaalsContact O-N 3.14Å; H363-F366 HydrophobicContact CB-CD2 4.26Å; H363-F366 AromaticContact ND1-CD2 3.83Å; H363-F366 CarbonylContact O-C 3.38Å; H363-F366 PolarHBondContact O-N 3Å; H363-A367 PolarHBondContact O-N 3.33Å; H363-M406 HydrophobicContact CB-CE 3.96Å
364	E	94.3	Very high	93.3	Very high	109 Å²	109	56 Å²	56	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-52.1	-42	-170	64.9	-166.1	155.1	0	0	114.3	T253 G257 F366	T253-E364 HydrophobicContact CG2-CB 3.98Å; T253-E364 HydrophobicContact CG2-CG 4.39Å; G257-E364 VanDerWaalsContact CA-OE1 3.24Å; G257-E364 WeakPolarHBondContact CA-OE1 3.34Å; G257-E364 PolarHBondContact O-N 3.05Å; E364-F366 PolarHBondContact O-N 3.34Å
365	M	94.6	Very high	93.5	Very high	45 Å²	45	55.9 Å²	55.9	22%	0.222	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-28.7	175.6	-176.4	179	-76.4	0	0	114.1	H363 G373 L405 M406	H363-M365 VanDerWaalsContact C-N 3.3Å; H363-M365 VanDerWaalsContact ND1-CB 3.34Å; H363-M365 WeakPolarHBondContact ND1-CB 3.49Å; H363-M365 PolarHBondContact ND1-N 2.78Å; H363-M365 PolarHBondContact O-N 3.26Å; H363-M365 VanDerWaalsContact O-N 3.14Å; M365-G373 VanDerWaalsContact O-CA 3.25Å; M365-G373 WeakPolarHBondContact O-CA 3.48Å; M365-G373 PolarHBondContact O-N 2.85Å; M365-L405 HydrophobicContact SD-CD2 4.48Å; M365-L405 HydrophobicContact SD-CG 3.93Å; M365-M406 HydrophobicContact SD-CG 4.3Å
366	F	95.6	Very high	93.7	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-116.4	-12.7	-173.7	-57.1	-69.9	0	0	0	114	Q359 F360 H363 E364 A368 G373 Q374 L377 A402 L405 M406	Q359-F366 WeakPolarHBondContact O-CB 3.4Å; F360-F366 HydrophobicContact CB-CD2 4.26Å; H363-F366 HydrophobicContact CB-CD2 4.26Å; H363-F366 AromaticContact ND1-CD2 3.83Å; H363-F366 CarbonylContact O-C 3.38Å; H363-F366 PolarHBondContact O-N 3Å; E364-F366 PolarHBondContact O-N 3.34Å; F366-A368 VanDerWaalsContact C-N 3.28Å; F366-A368 PolarHBondContact O-N 2.98Å; F366-G373 VanDerWaalsContact CE1-O 3.3Å; F366-G373 WeakPolarHBondContact CE1-O 3.2Å; F366-Q374 PolarHBondContact O-NE2 2.85Å; F366-L377 HydrophobicContact CD1-CD2 4.3Å; F366-L377 HydrophobicContact CE1-CB 4.12Å; F366-L377 HydrophobicContact CE1-CD2 4.05Å; F366-A402 HydrophobicContact CE1-CB 4.35Å; F366-A402 HydrophobicContact CE2-CB 4.1Å; F366-A402 HydrophobicContact CZ-CB 3.82Å; F366-L405 HydrophobicContact CE1-CD2 3.95Å; F366-L405 HydrophobicContact CZ-CB 4.45Å; F366-L405 HydrophobicContact CZ-CD2 4.01Å; F366-L405 HydrophobicContact CZ-CG 4.36Å; F366-M406 HydrophobicContact CD2-CE 3.79Å; F366-M406 HydrophobicContact CE2-CE 3.47Å; F366-M406 VanDerWaalsContact CE2-CE 3.47Å; F366-M406 HydrophobicContact CE2-CG 3.78Å; F366-M406 HydrophobicContact CE2-SD 4.45Å; F366-M406 HydrophobicContact CZ-CG 4.48Å
367	A	91.9	Very high	93.9	Very high	47 Å²	47	56.8 Å²	56.8	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-28.4	-178	0	0	0	0	0	113.5	L259 P361 H363 R369	L259-A367 HydrophobicContact CD1-CB 3.8Å; P361-A367 WeakPolarHBondContact O-CA 3.5Å; P361-A367 WeakPolarHBondContact O-CB 3.48Å; H363-A367 PolarHBondContact O-N 3.33Å; A367-R369 PolarHBondContact O-N 3.48Å
368	A	91.4	Very high	94.3	Very high	54 Å²	54	55 Å²	55	45%	0.446	28%	0.28	S	S	.	.	S	Bend	trans	-80.1	112.5	173.7	0	0	0	0	0	110.8	F366 G370 G371 Q374	F366-A368 VanDerWaalsContact C-N 3.28Å; F366-A368 PolarHBondContact O-N 2.98Å; A368-G370 PolarHBondContact O-N 3.44Å; A368-G371 PolarHBondContact O-N 2.83Å; A368-Q374 PolarHBondContact O-NE2 3.28Å
369	R	90.1	Very high	94.7	Very high	232 Å²	232	54.8 Å²	54.8	88%	0.875	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	122.9	173.9	-174.8	177.2	179.7	177.5	-1.2	110.2	A367 G371	A367-R369 PolarHBondContact O-N 3.48Å; R369-G371 PolarHBondContact O-N 2.96Å
370	G	91.7	Very high	94.9	Very high	43 Å²	43	54.4 Å²	54.4	44%	0.443	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	8.5	-173.8	0	0	0	0	0	114.8	A368 Q375	A368-G370 PolarHBondContact O-N 3.44Å; G370-Q375 PolarHBondContact O-NE2 3.18Å
371	G	94.9	Very high	95.2	Very high	16 Å²	16	53 Å²	53	17%	0.165	27%	0.271	C	S	.	.			trans	-72.1	168.6	175.2	0	0	0	0	0	113.1	A368 R369 G373 Q374 Q375	A368-G371 PolarHBondContact O-N 2.83Å; R369-G371 PolarHBondContact O-N 2.96Å; G371-G373 VanDerWaalsContact C-N 3.3Å; G371-G373 PolarHBondContact O-N 3.39Å; G371-G373 VanDerWaalsContact O-N 3.11Å; G371-Q374 PolarHBondContact O-N 3.3Å; G371-Q375 PolarHBondContact O-N 3.04Å
372	H	95.5	Very high	95.5	Very high	128 Å²	128	52 Å²	52	59%	0.593	26%	0.261	S	S	*	.	H	α-helix	trans	-48.8	-43.1	-171.3	64.9	-91.2	0	0	0	114.3	Q375 D376	H372-Q375 WeakPolarHBondContact O-CB 3.35Å; H372-Q375 PolarHBondContact O-N 3.13Å; H372-D376 PolarHBondContact O-N 3.28Å
373	G	96.2	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-70.8	-32.5	179.4	0	0	0	0	0	114	M365 F366 G371 L377	M365-G373 VanDerWaalsContact O-CA 3.25Å; M365-G373 WeakPolarHBondContact O-CA 3.48Å; M365-G373 PolarHBondContact O-N 2.85Å; F366-G373 VanDerWaalsContact CE1-O 3.3Å; F366-G373 WeakPolarHBondContact CE1-O 3.2Å; G371-G373 VanDerWaalsContact C-N 3.3Å; G371-G373 PolarHBondContact O-N 3.39Å; G371-G373 VanDerWaalsContact O-N 3.11Å; G373-L377 VanDerWaalsContact O-CB 3.23Å; G373-L377 WeakPolarHBondContact O-CB 3.26Å; G373-L377 PolarHBondContact O-N 2.92Å
374	Q	97.3	Very high	96.1	Very high	13 Å²	13	47.6 Å²	47.6	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-37.6	170.4	-66.2	-166.7	1.9	0	0	111	L356 F366 A368 G371 L377 Y378	L356-Q374 HydrophobicContact CB-CB 4.43Å; L356-Q374 HydrophobicContact CB-CG 4.5Å; L356-Q374 HydrophobicContact CD1-CB 4.33Å; F366-Q374 PolarHBondContact O-NE2 2.85Å; A368-Q374 PolarHBondContact O-NE2 3.28Å; G371-Q374 PolarHBondContact O-N 3.3Å; Q374-L377 PolarHBondContact O-N 2.95Å; Q374-Y378 WeakPolarHBondContact O-CB 3.44Å; Q374-Y378 PolarHBondContact O-N 3.04Å
375	Q	97.7	Very high	96.2	Very high	115 Å²	115	42.6 Å²	42.6	54%	0.537	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-48.4	174.4	-62.1	178.1	18.2	0	0	111.4	G370 G371 H372 L377 Y378 R379	G370-Q375 PolarHBondContact O-NE2 3.18Å; G371-Q375 PolarHBondContact O-N 3.04Å; H372-Q375 WeakPolarHBondContact O-CB 3.35Å; H372-Q375 PolarHBondContact O-N 3.13Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.43Å; Q375-Y378 WeakPolarHBondContact O-CB 3.44Å; Q375-Y378 PolarHBondContact O-N 3.49Å; Q375-Y378 VanDerWaalsContact O-N 3.14Å; Q375-R379 VanDerWaalsContact O-CG 3.28Å; Q375-R379 WeakPolarHBondContact O-CG 3.47Å; Q375-R379 PolarHBondContact O-N 2.75Å
376	D	98.3	Very high	96.4	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.214	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-37.2	176.8	-84.2	-13.1	0	0	0	112.5	H372 R379 I380 L405 A410	H372-D376 PolarHBondContact O-N 3.28Å; D376-R379 PolarHBondContact O-N 3.49Å; D376-R379 IonicContact OD1-CZ 2.75Å; D376-R379 IonicContact OD1-NE 2.7Å; D376-R379 IonicContact OD1-NH1 3.55Å; D376-R379 PolarHBondContact OD1-NH1 3.32Å; D376-I380 WeakPolarHBondContact O-CD1 3.14Å; D376-I380 VanDerWaalsContact O-CG1 3.24Å; D376-I380 WeakPolarHBondContact O-CG1 3.32Å; D376-I380 PolarHBondContact O-N 3.14Å; D376-L405 HydrophobicContact CB-CD1 3.93Å; D376-L405 HydrophobicContact CB-CD2 3.63Å; D376-L405 HydrophobicContact CB-CG 4.42Å; D376-A410 HydrophobicContact CB-CB 4.27Å
377	L	98.5	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-41.1	172.7	-176.9	60.5	0	0	0	111.7	L356 Q359 F366 G373 Q374 Q375 L381 A401 A402 L405	L356-L377 HydrophobicContact CD2-CB 4.08Å; L356-L377 HydrophobicContact CD2-CD2 3.95Å; L356-L377 HydrophobicContact CD2-CG 3.83Å; Q359-L377 HydrophobicContact CB-CD2 3.99Å; Q359-L377 HydrophobicContact CG-CD2 3.92Å; F366-L377 HydrophobicContact CD1-CD2 4.3Å; F366-L377 HydrophobicContact CE1-CB 4.12Å; F366-L377 HydrophobicContact CE1-CD2 4.05Å; G373-L377 VanDerWaalsContact O-CB 3.23Å; G373-L377 WeakPolarHBondContact O-CB 3.26Å; G373-L377 PolarHBondContact O-N 2.92Å; Q374-L377 PolarHBondContact O-N 2.95Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.43Å; L377-L381 HydrophobicContact CD1-CD1 3.92Å; L377-L381 HydrophobicContact CD1-CG 4.24Å; L377-L381 HydrophobicContact CG-CD1 3.96Å; L377-L381 WeakPolarHBondContact O-CB 3.39Å; L377-L381 VanDerWaalsContact O-CG 3.23Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.04Å; L377-A401 HydrophobicContact CD1-CB 3.58Å; L377-A402 HydrophobicContact CD1-CB 4.18Å; L377-A402 HydrophobicContact CD2-CB 4.26Å; L377-L405 HydrophobicContact CB-CD2 4.13Å
378	Y	98.4	Very high	96.6	Very high	58 Å²	58	46 Å²	46	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-47.4	172.1	-179.8	-91.9	0	0	0	111.7	L349 I352 E353 L356 Q374 Q375 I380 L381 K382	L349-Y378 HydrophobicContact CD2-CE2 4.49Å; I352-Y378 HydrophobicContact CG2-CD2 3.7Å; I352-Y378 HydrophobicContact CG2-CE2 4.35Å; I352-Y378 HydrophobicContact CG2-CG 4.47Å; E353-Y378 HydrophobicContact CG-CD2 3.92Å; E353-Y378 HydrophobicContact CG-CE2 3.55Å; E353-Y378 VanDerWaalsContact OE1-CE2 3.27Å; E353-Y378 WeakPolarHBondContact OE1-CE2 3.46Å; E353-Y378 PolarHBondContact OE1-OH 2.7Å; L356-Y378 HydrophobicContact CD1-CD2 4.33Å; Q374-Y378 WeakPolarHBondContact O-CB 3.44Å; Q374-Y378 PolarHBondContact O-N 3.04Å; Q375-Y378 WeakPolarHBondContact O-CB 3.44Å; Q375-Y378 PolarHBondContact O-N 3.49Å; Q375-Y378 VanDerWaalsContact O-N 3.14Å; Y378-I380 PolarHBondContact O-N 3.41Å; Y378-L381 PolarHBondContact O-N 2.87Å; Y378-K382 HydrophobicContact CE1-CB 4.44Å; Y378-K382 HydrophobicContact CE1-CD 4.13Å; Y378-K382 VanDerWaalsContact O-CB 3.23Å; Y378-K382 WeakPolarHBondContact O-CB 3.49Å; Y378-K382 PolarHBondContact O-N 3.23Å
379	R	98.4	Very high	96.7	Very high	66 Å²	66	47.5 Å²	47.5	25%	0.249	23%	0.228	C	C	.	.	H	α-helix	trans	-55.9	-49.3	178.2	-67.1	167	71	-140.1	-3	111.3	F336 E340 Q375 D376 A383	F336-R379 HydrophobicContact CZ-CB 4.19Å; E340-R379 HydrophobicContact CG-CB 4.47Å; E340-R379 HydrophobicContact CG-CG 4.29Å; E340-R379 WeakPolarHBondContact OE1-CD 3.38Å; E340-R379 WeakPolarHBondContact OE1-CG 3.36Å; E340-R379 IonicContact OE1-CZ 2.9Å; E340-R379 IonicContact OE1-NE 3.99Å; E340-R379 PolarHBondContact OE1-NE 3.02Å; E340-R379 IonicContact OE1-NH2 3.3Å; E340-R379 IonicContact OE2-CZ 3.76Å; E340-R379 VanDerWaalsContact OE2-CZ 3.27Å; E340-R379 IonicContact OE2-NE 3.32Å; E340-R379 PolarHBondContact OE2-NE 3.02Å; E340-R379 IonicContact OE2-NH2 2.91Å; E340-R379 PolarHBondContact OE2-NH2 3.3Å; Q375-R379 VanDerWaalsContact O-CG 3.28Å; Q375-R379 WeakPolarHBondContact O-CG 3.47Å; Q375-R379 PolarHBondContact O-N 2.75Å; D376-R379 PolarHBondContact O-N 3.49Å; D376-R379 IonicContact OD1-CZ 2.75Å; D376-R379 IonicContact OD1-NE 2.7Å; D376-R379 IonicContact OD1-NH1 3.55Å; D376-R379 PolarHBondContact OD1-NH1 3.32Å; R379-A383 VanDerWaalsContact O-CB 3.24Å; R379-A383 WeakPolarHBondContact O-CB 3.14Å; R379-A383 PolarHBondContact O-N 3.24Å
380	I	98.7	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-50.4	176.6	-66	159.9	0	0	0	111.6	F336 D376 Y378 Y384 A401 L405 A410 A413 F414 L417	F336-I380 HydrophobicContact CZ-CG1 4.48Å; D376-I380 WeakPolarHBondContact O-CD1 3.14Å; D376-I380 VanDerWaalsContact O-CG1 3.24Å; D376-I380 WeakPolarHBondContact O-CG1 3.32Å; D376-I380 PolarHBondContact O-N 3.14Å; Y378-I380 PolarHBondContact O-N 3.41Å; I380-Y384 PolarHBondContact O-N 2.86Å; I380-A401 HydrophobicContact CG2-CB 4.02Å; I380-L405 HydrophobicContact CD1-CB 4.12Å; I380-L405 HydrophobicContact CD1-CD1 4.21Å; I380-L405 HydrophobicContact CD1-CD2 4.08Å; I380-L405 HydrophobicContact CD1-CG 4.37Å; I380-A410 HydrophobicContact CD1-CB 4.3Å; I380-A410 HydrophobicContact CG1-CB 4.04Å; I380-A410 WeakPolarHBondContact CG1-O 3.29Å; I380-A413 HydrophobicContact CD1-CB 3.72Å; I380-A413 HydrophobicContact CG1-CB 4.46Å; I380-F414 HydrophobicContact CG2-CB 4.28Å; I380-L417 HydrophobicContact CG2-CD2 3.91Å
381	L	98.5	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.9	-42.2	-173.7	-67	173.3	0	0	0	111.6	I352 L377 Y378 Y384 T385 Y393 Q397 A398 A401 L417	I352-L381 HydrophobicContact CD1-CB 3.94Å; I352-L381 HydrophobicContact CG1-CB 4.15Å; I352-L381 HydrophobicContact CG2-CB 3.93Å; I352-L381 HydrophobicContact CG2-CD1 3.99Å; L377-L381 HydrophobicContact CD1-CD1 3.92Å; L377-L381 HydrophobicContact CD1-CG 4.24Å; L377-L381 HydrophobicContact CG-CD1 3.96Å; L377-L381 WeakPolarHBondContact O-CB 3.39Å; L377-L381 VanDerWaalsContact O-CG 3.23Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.04Å; Y378-L381 PolarHBondContact O-N 2.87Å; L381-Y384 WeakPolarHBondContact O-CB 3.37Å; L381-Y384 PolarHBondContact O-N 2.66Å; L381-T385 WeakPolarHBondContact O-CG2 3.42Å; L381-T385 PolarHBondContact O-N 3.35Å; L381-T385 VanDerWaalsContact O-N 3.13Å; L381-Y393 HydrophobicContact CD1-CE2 4.02Å; L381-Y393 HydrophobicContact CD2-CD2 4.35Å; L381-Y393 HydrophobicContact CD2-CE2 3.92Å; L381-Y393 HydrophobicContact CG-CE2 4.37Å; L381-Q397 HydrophobicContact CD2-CB 4.13Å; L381-A398 HydrophobicContact CD1-CB 3.6Å; L381-A401 HydrophobicContact CD2-CB 3.82Å; L381-A401 HydrophobicContact CG-CB 4.33Å; L381-L417 HydrophobicContact CD2-CD2 4.26Å
382	K	98.3	Very high	96.4	Very high	30 Å²	30	40.5 Å²	40.5	13%	0.13	19%	0.193	C	C	.	.	H	α-helix	trans	-54.8	-55.3	171.2	176.9	-173.9	174.3	-164.3	0	110.3	E340 E342 L349 Y378 Y384 T385 V386	E340-K382 PolarHBondContact O-NZ 3.26Å; E342-K382 WeakPolarHBondContact O-CE 3.49Å; E342-K382 PolarHBondContact O-NZ 3.41Å; L349-K382 HydrophobicContact CD2-CB 4.26Å; L349-K382 HydrophobicContact CD2-CD 4.31Å; L349-K382 HydrophobicContact CD2-CG 3.88Å; Y378-K382 HydrophobicContact CE1-CB 4.44Å; Y378-K382 HydrophobicContact CE1-CD 4.13Å; Y378-K382 VanDerWaalsContact O-CB 3.23Å; Y378-K382 WeakPolarHBondContact O-CB 3.49Å; Y378-K382 PolarHBondContact O-N 3.23Å; K382-Y384 PolarHBondContact O-N 2.83Å; K382-T385 PolarHBondContact O-N 3.39Å; K382-T385 PolarHBondContact O-OG1 2.95Å; K382-V386 PolarHBondContact O-N 3.41Å; K382-V386 VanDerWaalsContact O-N 3.17Å
383	A	98.6	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-34.5	-179.1	0	0	0	0	0	112	F336 L339 R379 V386 Y387 F414	F336-A383 HydrophobicContact CD2-CB 4.02Å; F336-A383 HydrophobicContact CE2-CB 3.77Å; L339-A383 HydrophobicContact CB-CB 3.93Å; R379-A383 VanDerWaalsContact O-CB 3.24Å; R379-A383 WeakPolarHBondContact O-CB 3.14Å; R379-A383 PolarHBondContact O-N 3.24Å; A383-V386 PolarHBondContact O-N 2.84Å; A383-Y387 VanDerWaalsContact O-CB 3.24Å; A383-Y387 WeakPolarHBondContact O-CB 3.09Å; A383-Y387 PolarHBondContact O-N 3.1Å; A383-F414 HydrophobicContact CB-CD2 3.97Å; A383-F414 HydrophobicContact CB-CE2 3.91Å
384	Y	98.3	Very high	96.4	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-44.9	172.1	-169.5	-84.7	0	0	0	112.2	I380 L381 K382 V386 Y387 R388 E391 L417 V418 C421	I380-Y384 PolarHBondContact O-N 2.86Å; L381-Y384 WeakPolarHBondContact O-CB 3.37Å; L381-Y384 PolarHBondContact O-N 2.66Å; K382-Y384 PolarHBondContact O-N 2.83Å; Y384-V386 VanDerWaalsContact C-N 3.29Å; Y384-V386 PolarHBondContact O-N 2.88Å; Y384-Y387 PolarHBondContact O-N 3.18Å; Y384-R388 HydrophobicContact CD1-CB 4.22Å; Y384-R388 HydrophobicContact CE1-CB 3.66Å; Y384-R388 HydrophobicContact CE1-CG 4.16Å; Y384-R388 HydrophobicContact CE2-CG 4.35Å; Y384-R388 PolarHBondContact O-N 2.85Å; Y384-E391 PolarHBondContact OH-OE2 2.98Å; Y384-L417 HydrophobicContact CD2-CD2 3.92Å; Y384-L417 HydrophobicContact CD2-CG 4.08Å; Y384-L417 HydrophobicContact CE2-CG 4.46Å; Y384-L417 HydrophobicContact CG-CD2 4.2Å; Y384-V418 HydrophobicContact CD2-CG2 4.22Å; Y384-V418 HydrophobicContact CE2-CG2 4.29Å; Y384-C421 HydrophobicContact CE2-CB 3.97Å; Y384-C421 WeakPolarHBondContact OH-CB 3.42Å
385	T	97.6	Very high	96.3	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-33.1	179.1	66.7	0	0	0	0	113.5	W348 I352 L381 K382 R388 P389	W348-T385 HydrophobicContact CB-CG2 3.93Å; W348-T385 HydrophobicContact CG-CG2 4.03Å; I352-T385 HydrophobicContact CD1-CG2 4.08Å; L381-T385 WeakPolarHBondContact O-CG2 3.42Å; L381-T385 PolarHBondContact O-N 3.35Å; L381-T385 VanDerWaalsContact O-N 3.13Å; K382-T385 PolarHBondContact O-N 3.39Å; K382-T385 PolarHBondContact O-OG1 2.95Å; T385-R388 CarbonylContact O-C 3.55Å; T385-P389 VanDerWaalsContact O-CA 3.31Å; T385-P389 WeakPolarHBondContact O-CA 3.48Å; T385-P389 VanDerWaalsContact O-N 3.15Å
386	V	97.9	Very high	96.1	Very high	26 Å²	26	31.4 Å²	31.4	16%	0.158	15%	0.152	C	C	.	.	H	α-helix	trans	-74.4	-39	175.9	-178.4	0	0	0	0	110.7	L339 E342 K382 A383 Y384	L339-V386 HydrophobicContact CD2-CB 4.08Å; L339-V386 HydrophobicContact CD2-CG1 3.65Å; E342-V386 HydrophobicContact CB-CG1 3.8Å; E342-V386 HydrophobicContact CG-CG1 4.44Å; E342-V386 WeakPolarHBondContact OE2-CG1 3.48Å; K382-V386 PolarHBondContact O-N 3.41Å; K382-V386 VanDerWaalsContact O-N 3.17Å; A383-V386 PolarHBondContact O-N 2.84Å; Y384-V386 VanDerWaalsContact C-N 3.29Å; Y384-V386 PolarHBondContact O-N 2.88Å
387	Y	97.4	Very high	96.1	Very high	68 Å²	68	29.6 Å²	29.6	27%	0.267	14%	0.142	S	C	.	.	H	α-helix	trans	-71.3	-29.4	176.5	-178.3	-103.5	0	0	0	113.2	L339 A383 Y384 F414 W415 V418 E422	L339-Y387 HydrophobicContact CD1-CD2 3.98Å; L339-Y387 HydrophobicContact CD1-CG 4.32Å; A383-Y387 VanDerWaalsContact O-CB 3.24Å; A383-Y387 WeakPolarHBondContact O-CB 3.09Å; A383-Y387 PolarHBondContact O-N 3.1Å; Y384-Y387 PolarHBondContact O-N 3.18Å; Y387-F414 HydrophobicContact CD1-CZ 4.35Å; Y387-F414 HydrophobicContact CD2-CZ 4.34Å; Y387-F414 HydrophobicContact CG-CZ 4Å; Y387-W415 HydrophobicContact CE2-CZ3 4.39Å; Y387-V418 HydrophobicContact CD1-CG2 3.79Å; Y387-V418 HydrophobicContact CE1-CB 4.33Å; Y387-V418 HydrophobicContact CE1-CG1 3.62Å; Y387-V418 HydrophobicContact CE1-CG2 3.71Å; Y387-E422 WeakPolarHBondContact CE1-OE1 3.2Å; Y387-E422 PolarHBondContact OH-OE1 3.38Å
388	R	94.9	Very high	96	Very high	70 Å²	70	29.6 Å²	29.6	26%	0.264	14%	0.142	S	C	.	.			trans	-134	66.4	-178.1	-76.7	-75	172.3	-161.9	-6.7	112	Y384 T385 D390 E391 G392 E422	Y384-R388 HydrophobicContact CD1-CB 4.22Å; Y384-R388 HydrophobicContact CE1-CB 3.66Å; Y384-R388 HydrophobicContact CE1-CG 4.16Å; Y384-R388 HydrophobicContact CE2-CG 4.35Å; Y384-R388 PolarHBondContact O-N 2.85Å; T385-R388 CarbonylContact O-C 3.55Å; R388-D390 WeakPolarHBondContact CA-OD1 3.3Å; R388-D390 WeakPolarHBondContact CD-OD1 3.32Å; R388-D390 IonicContact NH1-OD1 3.96Å; R388-D390 IonicContact NH1-OD2 2.66Å; R388-D390 PolarHBondContact NH1-OD2 2.99Å; R388-D390 PolarHBondContact O-N 2.96Å; R388-E391 HydrophobicContact CB-CB 4.47Å; R388-E391 PolarHBondContact O-N 3.38Å; R388-G392 PolarHBondContact O-N 3.39Å; R388-E422 IonicContact CZ-OE1 3.7Å; R388-E422 IonicContact NE-OE1 2.69Å; R388-E422 PolarHBondContact NE-OE1 3.22Å; R388-E422 VanDerWaalsContact NE-OE1 3.1Å; R388-E422 VanDerWaalsContact NH2-CD 3.31Å; R388-E422 IonicContact NH2-OE1 3.72Å; R388-E422 PolarHBondContact NH2-OE1 2.93Å; R388-E422 IonicContact NH2-OE2 3.15Å
389	P	93	Very high	96	Very high	85 Å²	85	26.9 Å²	26.9	55%	0.552	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.3	179.6	30.5	-36	0	0	0	112.9	T385	T385-P389 VanDerWaalsContact O-CA 3.31Å; T385-P389 WeakPolarHBondContact O-CA 3.48Å; T385-P389 VanDerWaalsContact O-N 3.15Å
390	D	88.8	Confident	96	Very high	115 Å²	115	23.7 Å²	23.7	62%	0.615	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-29.1	173.7	59.8	-38.8	0	0	0	113.5	R388	R388-D390 WeakPolarHBondContact CA-OD1 3.3Å; R388-D390 WeakPolarHBondContact CD-OD1 3.32Å; R388-D390 IonicContact NH1-OD1 3.96Å; R388-D390 IonicContact NH1-OD2 2.66Å; R388-D390 PolarHBondContact NH1-OD2 2.99Å; R388-D390 PolarHBondContact O-N 2.96Å
391	E	89.4	Confident	96	Very high	29 Å²	29	23.7 Å²	23.7	14%	0.136	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-36.3	169.6	-62.9	-160.2	130.6	0	0	112.5	Y384 R388 S430	Y384-E391 PolarHBondContact OH-OE2 2.98Å; R388-E391 HydrophobicContact CB-CB 4.47Å; R388-E391 PolarHBondContact O-N 3.38Å; E391-S430 PolarHBondContact OE1-OG 3.25Å
392	G	93.3	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.			trans	72	-138.9	-177.1	0	0	0	0	0	113	W348 R388	W348-G392 VanDerWaalsContact CE2-CA 3.46Å; R388-G392 PolarHBondContact O-N 3.39Å
393	Y	96.4	Very high	96	Very high	13 Å²	13	22.3 Å²	22.3	5%	0.051	11%	0.114	C	C	.	.			trans	-113.9	128.7	173.6	175.7	-105.8	0	0	0	111.7	W348 I351 I352 D355 L381 Q395 Q397 A398	W348-Y393 WeakPolarHBondContact CZ3-O 3.07Å; I351-Y393 HydrophobicContact CB-CD1 4.18Å; I351-Y393 HydrophobicContact CB-CE1 4.41Å; I351-Y393 HydrophobicContact CG2-CD1 3.88Å; I351-Y393 HydrophobicContact CG2-CE1 3.75Å; I352-Y393 HydrophobicContact CD1-CD2 4.19Å; I352-Y393 HydrophobicContact CD1-CG 4.11Å; I352-Y393 HydrophobicContact CG1-CD1 3.8Å; I352-Y393 HydrophobicContact CG1-CD2 3.75Å; I352-Y393 HydrophobicContact CG1-CE1 4.08Å; I352-Y393 HydrophobicContact CG1-CE2 4.04Å; I352-Y393 HydrophobicContact CG1-CG 3.63Å; D355-Y393 VanDerWaalsContact OD2-CE1 3.27Å; D355-Y393 WeakPolarHBondContact OD2-CE1 3.2Å; D355-Y393 PolarHBondContact OD2-OH 2.98Å; L381-Y393 HydrophobicContact CD1-CE2 4.02Å; L381-Y393 HydrophobicContact CD2-CD2 4.35Å; L381-Y393 HydrophobicContact CD2-CE2 3.92Å; L381-Y393 HydrophobicContact CG-CE2 4.37Å; Y393-Q395 WeakPolarHBondContact OH-CA 3.49Å; Y393-Q397 HydrophobicContact CE2-CB 4.11Å; Y393-A398 HydrophobicContact CE2-CB 4.47Å; Y393-A398 WeakPolarHBondContact OH-CB 3.47Å
394	C	95.1	Very high	96	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.047	11%	0.114	C	C	.	.			trans	-112	132.1	169.5	-175.9	0	0	0	0	110.5	A396 Q397 Y429 M474	C394-A396 PolarHBondContact O-N 2.97Å; C394-Q397 HydrophobicContact CB-CG 4.3Å; C394-Q397 WeakPolarHBondContact O-CB 3.3Å; C394-Q397 PolarHBondContact O-N 3.02Å; C394-Y429 HydrophobicContact CB-CD1 3.98Å; C394-Y429 HydrophobicContact CB-CG 4.34Å; C394-M474 WeakPolarHBondContact SG-CE 3.48Å
395	Q	93.9	Very high	96	Very high	38 Å²	38	22.7 Å²	22.7	18%	0.178	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-28.7	179.8	-159	-176.5	43.6	0	0	115.3	L216 D355 Y393	L216-Q395 PolarHBondContact O-OE1 3.18Å; D355-Q395 WeakPolarHBondContact OD2-CG 3.33Å; Y393-Q395 WeakPolarHBondContact OH-CA 3.49Å
396	A	95.4	Very high	96	Very high	9 Å²	9	23.8 Å²	23.8	7%	0.074	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6	179.3	0	0	0	0	0	114.7	C394 P399 V400 Y429 M474	C394-A396 PolarHBondContact O-N 2.97Å; A396-P399 WeakPolarHBondContact O-CG 3.29Å; A396-V400 WeakPolarHBondContact O-CG2 3.32Å; A396-Y429 HydrophobicContact CB-CE1 4.16Å; A396-M474 HydrophobicContact CB-CB 3.55Å; A396-M474 HydrophobicContact CB-CE 3.91Å
397	Q	97.3	Very high	96	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.121	C	C	.	.	S	Bend	trans	-79.1	-35.2	176.9	-67.1	176.4	-85.6	0	0	112.4	L381 Y393 C394 V400 A401 Y429	L381-Q397 HydrophobicContact CD2-CB 4.13Å; Y393-Q397 HydrophobicContact CE2-CB 4.11Å; C394-Q397 HydrophobicContact CB-CG 4.3Å; C394-Q397 WeakPolarHBondContact O-CB 3.3Å; C394-Q397 PolarHBondContact O-N 3.02Å; Q397-V400 CarbonylContact O-C 3.57Å; Q397-V400 WeakPolarHBondContact O-CA 3.34Å; Q397-V400 WeakPolarHBondContact O-CB 3.31Å; Q397-V400 PolarHBondContact O-N 3Å; Q397-A401 WeakPolarHBondContact O-CB 3.44Å; Q397-A401 PolarHBondContact O-N 3.18Å; Q397-Y429 HydrophobicContact CG-CD1 3.52Å; Q397-Y429 HydrophobicContact CG-CD2 4.31Å; Q397-Y429 HydrophobicContact CG-CE1 3.8Å; Q397-Y429 HydrophobicContact CG-CG 3.81Å
398	A	97.6	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-44.9	178.5	0	0	0	0	0	114.5	Q359 L381 Y393 V400 A401 A402	Q359-A398 HydrophobicContact CG-CB 3.66Å; L381-A398 HydrophobicContact CD1-CB 3.6Å; Y393-A398 HydrophobicContact CE2-CB 4.47Å; Y393-A398 WeakPolarHBondContact OH-CB 3.47Å; A398-V400 PolarHBondContact O-N 3.42Å; A398-A401 PolarHBondContact O-N 3.03Å; A398-A402 WeakPolarHBondContact O-CB 3.42Å; A398-A402 PolarHBondContact O-N 3.45Å
399	P	97.2	Very high	96.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-70.6	-13.7	174.2	27.3	-34	0	0	0	113.7	Q359 F360 A396 V403 C475 S478 R479	Q359-P399 VanDerWaalsContact OE1-CD 3.26Å; F360-P399 HydrophobicContact CE2-CB 4.29Å; A396-P399 WeakPolarHBondContact O-CG 3.29Å; P399-V403 WeakPolarHBondContact O-CG2 3.27Å; P399-C475 HydrophobicContact CG-CB 4.23Å; P399-S478 PolarHBondContact O-OG 2.92Å; P399-R479 HydrophobicContact CB-CG 3.95Å; P399-R479 HydrophobicContact CG-CG 4.42Å
400	V	98.6	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-84.5	-44.1	171.7	174	0	0	0	0	110.4	A396 Q397 A398 V403 L404 L417 I420 I476 W490	A396-V400 WeakPolarHBondContact O-CG2 3.32Å; Q397-V400 CarbonylContact O-C 3.57Å; Q397-V400 WeakPolarHBondContact O-CA 3.34Å; Q397-V400 WeakPolarHBondContact O-CB 3.31Å; Q397-V400 PolarHBondContact O-N 3Å; A398-V400 PolarHBondContact O-N 3.42Å; V400-V403 PolarHBondContact O-N 3.08Å; V400-L404 WeakPolarHBondContact O-CG 3.34Å; V400-L404 PolarHBondContact O-N 3.35Å; V400-L417 HydrophobicContact CB-CD1 4.37Å; V400-L417 HydrophobicContact CG1-CD1 3.82Å; V400-I420 HydrophobicContact CG1-CD1 3.74Å; V400-I420 HydrophobicContact CG1-CG2 4.26Å; V400-I476 HydrophobicContact CG1-CD1 4.31Å; V400-I476 HydrophobicContact CG2-CD1 4.41Å; V400-I476 HydrophobicContact CG2-CG1 4.3Å; V400-W490 HydrophobicContact CB-CH2 4.31Å; V400-W490 HydrophobicContact CG1-CH2 3.74Å; V400-W490 HydrophobicContact CG1-CZ2 4.35Å; V400-W490 WeakPolarHBondContact O-CH2 3.3Å
401	A	98.6	Very high	96.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-40.8	176.3	0	0	0	0	0	112.3	L377 I380 L381 Q397 A398 V403 L404 L405 L417	L377-A401 HydrophobicContact CD1-CB 3.58Å; I380-A401 HydrophobicContact CG2-CB 4.02Å; L381-A401 HydrophobicContact CD2-CB 3.82Å; L381-A401 HydrophobicContact CG-CB 4.33Å; Q397-A401 WeakPolarHBondContact O-CB 3.44Å; Q397-A401 PolarHBondContact O-N 3.18Å; A398-A401 PolarHBondContact O-N 3.03Å; A401-V403 PolarHBondContact O-N 3.15Å; A401-L404 WeakPolarHBondContact O-CB 3.36Å; A401-L404 PolarHBondContact O-N 3.47Å; A401-L405 WeakPolarHBondContact O-CB 3.14Å; A401-L405 PolarHBondContact O-N 2.94Å; A401-L417 HydrophobicContact CB-CD2 4.23Å
402	A	98.3	Very high	97.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-41.9	177	0	0	0	0	0	112.6	Q359 F360 F366 L377 A398 L404 L405 M406	Q359-A402 HydrophobicContact CB-CB 4.45Å; F360-A402 HydrophobicContact CD2-CB 3.74Å; F360-A402 HydrophobicContact CE2-CB 3.84Å; F366-A402 HydrophobicContact CE1-CB 4.35Å; F366-A402 HydrophobicContact CE2-CB 4.1Å; F366-A402 HydrophobicContact CZ-CB 3.82Å; L377-A402 HydrophobicContact CD1-CB 4.18Å; L377-A402 HydrophobicContact CD2-CB 4.26Å; A398-A402 WeakPolarHBondContact O-CB 3.42Å; A398-A402 PolarHBondContact O-N 3.45Å; A402-L404 PolarHBondContact O-N 3.25Å; A402-L405 PolarHBondContact O-N 2.94Å; A402-M406 VanDerWaalsContact O-CG 3.3Å; A402-M406 WeakPolarHBondContact O-CG 3.09Å; A402-M406 PolarHBondContact O-N 3Å
403	V	98.2	Very high	97.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-33.8	175.7	173.7	0	0	0	0	112	W319 F360 P399 V400 A401 H407 W483 W490	W319-V403 HydrophobicContact CH2-CG1 4.15Å; W319-V403 HydrophobicContact CZ3-CG1 4.33Å; F360-V403 HydrophobicContact CE2-CG2 4.07Å; F360-V403 HydrophobicContact CZ-CG2 3.85Å; P399-V403 WeakPolarHBondContact O-CG2 3.27Å; V400-V403 PolarHBondContact O-N 3.08Å; A401-V403 PolarHBondContact O-N 3.15Å; V403-H407 PolarHBondContact O-ND1 2.68Å; V403-W483 HydrophobicContact CB-CH2 4.2Å; V403-W483 HydrophobicContact CG1-CH2 4.04Å; V403-W483 HydrophobicContact CG2-CH2 3.76Å; V403-W483 HydrophobicContact CG2-CZ3 3.86Å; V403-W490 HydrophobicContact CB-CH2 3.74Å; V403-W490 HydrophobicContact CB-CZ2 3.9Å; V403-W490 HydrophobicContact CB-CZ3 4.16Å; V403-W490 HydrophobicContact CG1-CD2 3.79Å; V403-W490 HydrophobicContact CG1-CE3 3.74Å; V403-W490 HydrophobicContact CG1-CH2 3.69Å; V403-W490 HydrophobicContact CG1-CZ2 3.75Å; V403-W490 HydrophobicContact CG1-CZ3 3.7Å; V403-W490 HydrophobicContact CG2-CH2 4.46Å; V403-W490 HydrophobicContact CG2-CZ2 4.17Å
404	L	98.7	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-71.3	-49	174.4	-67.9	166.7	0	0	0	111.2	W319 V400 A401 A402 M406 H407 M408 A413 C416 L417 I420 W490 F494	W319-L404 HydrophobicContact CE3-CD2 4.02Å; W319-L404 HydrophobicContact CZ3-CD2 4.25Å; V400-L404 WeakPolarHBondContact O-CG 3.34Å; V400-L404 PolarHBondContact O-N 3.35Å; A401-L404 WeakPolarHBondContact O-CB 3.36Å; A401-L404 PolarHBondContact O-N 3.47Å; A402-L404 PolarHBondContact O-N 3.25Å; L404-M406 VanDerWaalsContact C-N 3.3Å; L404-M406 PolarHBondContact O-N 3.43Å; L404-H407 CarbonylContact O-C 3.53Å; L404-H407 WeakPolarHBondContact O-CA 3.22Å; L404-H407 PolarHBondContact O-N 3.03Å; L404-M408 HydrophobicContact CB-CE 4.39Å; L404-M408 HydrophobicContact CD2-CE 3.79Å; L404-M408 WeakPolarHBondContact O-CG 3.3Å; L404-M408 PolarHBondContact O-N 3.24Å; L404-A413 HydrophobicContact CB-CB 3.76Å; L404-A413 WeakPolarHBondContact CD1-O 3.28Å; L404-C416 HydrophobicContact CD1-CB 3.73Å; L404-C416 HydrophobicContact CD2-CB 3.57Å; L404-C416 HydrophobicContact CG-CB 4.24Å; L404-L417 HydrophobicContact CD1-CB 4.12Å; L404-I420 HydrophobicContact CD1-CD1 4.11Å; L404-W490 HydrophobicContact CD2-CZ3 3.8Å; L404-W490 HydrophobicContact CG-CH2 4.38Å; L404-W490 HydrophobicContact CG-CZ3 3.9Å; L404-F494 HydrophobicContact CD2-CZ 4.11Å
405	L	98.3	Very high	97.8	Very high	9 Å²	9	14.4 Å²	14.4	5%	0.047	8%	0.078	C	C	.	.	H	α-helix	trans	-61.4	-34	-178.7	-178.6	57.6	0	0	0	113	M365 F366 D376 L377 I380 A401 A402 H407 M408	M365-L405 HydrophobicContact SD-CD2 4.48Å; M365-L405 HydrophobicContact SD-CG 3.93Å; F366-L405 HydrophobicContact CE1-CD2 3.95Å; F366-L405 HydrophobicContact CZ-CB 4.45Å; F366-L405 HydrophobicContact CZ-CD2 4.01Å; F366-L405 HydrophobicContact CZ-CG 4.36Å; D376-L405 HydrophobicContact CB-CD1 3.93Å; D376-L405 HydrophobicContact CB-CD2 3.63Å; D376-L405 HydrophobicContact CB-CG 4.42Å; L377-L405 HydrophobicContact CB-CD2 4.13Å; I380-L405 HydrophobicContact CD1-CB 4.12Å; I380-L405 HydrophobicContact CD1-CD1 4.21Å; I380-L405 HydrophobicContact CD1-CD2 4.08Å; I380-L405 HydrophobicContact CD1-CG 4.37Å; A401-L405 WeakPolarHBondContact O-CB 3.14Å; A401-L405 PolarHBondContact O-N 2.94Å; A402-L405 PolarHBondContact O-N 2.94Å; L405-H407 PolarHBondContact O-N 2.7Å; L405-M408 WeakPolarHBondContact CA-O 3.23Å; L405-M408 VanDerWaalsContact O-O 3.14Å
406	M	97.3	Very high	98.1	Very high	29 Å²	29	12.6 Å²	12.6	14%	0.143	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.4	169.7	-69.2	174.2	-176.1	0	0	114.3	F258 F360 H363 M365 F366 A402 L404 W483	F258-M406 HydrophobicContact CZ-CE 4.24Å; F360-M406 HydrophobicContact CB-CE 3.64Å; F360-M406 HydrophobicContact CD1-CE 4.07Å; F360-M406 HydrophobicContact CD2-CE 3.63Å; F360-M406 HydrophobicContact CE2-CE 4.3Å; F360-M406 HydrophobicContact CG-CE 3.5Å; F360-M406 VanDerWaalsContact CG-CE 3.5Å; H363-M406 HydrophobicContact CB-CE 3.96Å; M365-M406 HydrophobicContact SD-CG 4.3Å; F366-M406 HydrophobicContact CD2-CE 3.79Å; F366-M406 HydrophobicContact CE2-CE 3.47Å; F366-M406 VanDerWaalsContact CE2-CE 3.47Å; F366-M406 HydrophobicContact CE2-CG 3.78Å; F366-M406 HydrophobicContact CE2-SD 4.45Å; F366-M406 HydrophobicContact CZ-CG 4.48Å; A402-M406 VanDerWaalsContact O-CG 3.3Å; A402-M406 WeakPolarHBondContact O-CG 3.09Å; A402-M406 PolarHBondContact O-N 3Å; L404-M406 VanDerWaalsContact C-N 3.3Å; L404-M406 PolarHBondContact O-N 3.43Å; M406-W483 HydrophobicContact CE-CH2 4.27Å; M406-W483 HydrophobicContact SD-CH2 3.23Å; M406-W483 WeakPolarHBondContact SD-CH2 3.49Å; M406-W483 HydrophobicContact SD-CZ2 3.35Å; M406-W483 WeakPolarHBondContact SD-CZ2 3.4Å; M406-W483 HydrophobicContact SD-CZ3 4.19Å
407	H	97.8	Very high	98.2	Very high	36 Å²	36	12.1 Å²	12.1	17%	0.167	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-12	-176	-67.3	92.8	0	0	0	114.8	R315 S316 W319 V403 L404 L405 W483 L487	R315-H407 HydrophobicContact CB-CB 4.5Å; S316-H407 WeakPolarHBondContact CB-O 3.44Å; W319-H407 AromaticContact CH2-CE1 3.98Å; W319-H407 AromaticContact CH2-ND1 3.83Å; W319-H407 HydrophobicContact CZ3-CB 4.23Å; W319-H407 AromaticContact CZ3-CG 3.99Å; W319-H407 AromaticContact CZ3-ND1 3.73Å; V403-H407 PolarHBondContact O-ND1 2.68Å; L404-H407 CarbonylContact O-C 3.53Å; L404-H407 WeakPolarHBondContact O-CA 3.22Å; L404-H407 PolarHBondContact O-N 3.03Å; L405-H407 PolarHBondContact O-N 2.7Å; H407-W483 AromaticContact CE1-CZ2 3.94Å; H407-L487 WeakPolarHBondContact CE1-CD2 3.25Å; H407-L487 VanDerWaalsContact NE2-CD2 3.34Å; H407-L487 WeakPolarHBondContact NE2-CD2 3.34Å
408	M	97.9	Very high	98.2	Very high	9 Å²	9	12.1 Å²	12.1	4%	0.044	7%	0.065	C	C	.	.	S	Bend	trans	-160.5	156.8	-178.3	70.2	-160.9	81.1	0	0	111.6	S316 W319 Q320 L404 L405 Q412 A413 C416	S316-M408 WeakPolarHBondContact OG-CB 3.35Å; W319-M408 HydrophobicContact CE3-CE 3.86Å; Q320-M408 HydrophobicContact CG-SD 4.3Å; L404-M408 HydrophobicContact CB-CE 4.39Å; L404-M408 HydrophobicContact CD2-CE 3.79Å; L404-M408 WeakPolarHBondContact O-CG 3.3Å; L404-M408 PolarHBondContact O-N 3.24Å; L405-M408 WeakPolarHBondContact CA-O 3.23Å; L405-M408 VanDerWaalsContact O-O 3.14Å; M408-Q412 HydrophobicContact CB-CB 3.98Å; M408-Q412 HydrophobicContact CG-CB 3.74Å; M408-Q412 HydrophobicContact SD-CB 3.82Å; M408-Q412 VanDerWaalsContact SD-O 3.41Å; M408-A413 HydrophobicContact CG-CB 3.91Å; M408-C416 HydrophobicContact SD-CB 4.36Å
409	P	98.1	Very high	98.2	Very high	84 Å²	84	12.4 Å²	12.4	55%	0.545	7%	0.067	S	C	.	.			trans	-65.2	166.6	179.4	-12	25.5	0	0	0	113	E411 Q412 A413	P409-E411 PolarHBondContact O-N 2.93Å; P409-Q412 VanDerWaalsContact CB-OE1 3.26Å; P409-Q412 PolarHBondContact O-N 2.84Å; P409-Q412 VanDerWaalsContact O-N 3.12Å; P409-Q412 PolarHBondContact O-OE1 2.99Å; P409-A413 PolarHBondContact O-N 3.28Å
410	A	98.4	Very high	98.2	Very high	5 Å²	5	12.4 Å²	12.4	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-53.9	-45.7	-167.1	0	0	0	0	0	114.8	F336 D376 I380 Q412 A413 F414	F336-A410 HydrophobicContact CE1-CB 3.97Å; F336-A410 HydrophobicContact CZ-CB 3.92Å; D376-A410 HydrophobicContact CB-CB 4.27Å; I380-A410 HydrophobicContact CD1-CB 4.3Å; I380-A410 HydrophobicContact CG1-CB 4.04Å; I380-A410 WeakPolarHBondContact CG1-O 3.29Å; A410-Q412 PolarHBondContact O-N 3.41Å; A410-A413 PolarHBondContact O-N 3.2Å; A410-F414 WeakPolarHBondContact O-CB 3.47Å; A410-F414 PolarHBondContact O-N 3.21Å
411	E	98.5	Very high	98	Very high	42 Å²	42	12.4 Å²	12.4	20%	0.196	7%	0.067	C	C	.	.	H	α-helix	trans	-61.7	-45.8	178.5	178	-176.2	-138.1	0	0	112.1	L329 F336 P409 A413 F414 W415	L329-E411 HydrophobicContact CD1-CG 3.86Å; L329-E411 HydrophobicContact CG-CG 4.2Å; F336-E411 HydrophobicContact CB-CB 4.23Å; F336-E411 HydrophobicContact CB-CG 3.84Å; F336-E411 HydrophobicContact CD1-CB 3.79Å; F336-E411 HydrophobicContact CD1-CG 4.35Å; F336-E411 HydrophobicContact CE1-CB 4.4Å; F336-E411 HydrophobicContact CG-CB 4.04Å; F336-E411 HydrophobicContact CG-CG 4.18Å; P409-E411 PolarHBondContact O-N 2.93Å; E411-A413 VanDerWaalsContact C-N 3.29Å; E411-A413 PolarHBondContact O-N 2.76Å; E411-F414 WeakPolarHBondContact O-CB 3.43Å; E411-F414 PolarHBondContact O-N 3.28Å; E411-W415 PolarHBondContact O-N 2.84Å
412	Q	98.6	Very high	97.7	Very high	37 Å²	37	14.2 Å²	14.2	17%	0.173	8%	0.075	C	C	.	.	H	α-helix	trans	-66.8	-35.3	-179.9	-65.2	71.2	33.2	0	0	110.8	L329 M408 P409 A410 C416	L329-Q412 HydrophobicContact CD1-CB 4.48Å; L329-Q412 HydrophobicContact CD1-CG 3.66Å; M408-Q412 HydrophobicContact CB-CB 3.98Å; M408-Q412 HydrophobicContact CG-CB 3.74Å; M408-Q412 HydrophobicContact SD-CB 3.82Å; M408-Q412 VanDerWaalsContact SD-O 3.41Å; P409-Q412 VanDerWaalsContact CB-OE1 3.26Å; P409-Q412 PolarHBondContact O-N 2.84Å; P409-Q412 VanDerWaalsContact O-N 3.12Å; P409-Q412 PolarHBondContact O-OE1 2.99Å; A410-Q412 PolarHBondContact O-N 3.41Å; Q412-C416 WeakPolarHBondContact O-CB 3.34Å; Q412-C416 PolarHBondContact O-N 3.23Å; Q412-C416 PolarHBondContact O-SG 3.35Å
413	A	98.8	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.6	-42.6	174.2	0	0	0	0	0	111.5	I380 L404 M408 P409 A410 E411 C416 L417	I380-A413 HydrophobicContact CD1-CB 3.72Å; I380-A413 HydrophobicContact CG1-CB 4.46Å; L404-A413 HydrophobicContact CB-CB 3.76Å; L404-A413 WeakPolarHBondContact CD1-O 3.28Å; M408-A413 HydrophobicContact CG-CB 3.91Å; P409-A413 PolarHBondContact O-N 3.28Å; A410-A413 PolarHBondContact O-N 3.2Å; E411-A413 VanDerWaalsContact C-N 3.29Å; E411-A413 PolarHBondContact O-N 2.76Å; A413-C416 PolarHBondContact O-N 2.87Å; A413-L417 PolarHBondContact O-N 3.47Å
414	F	98.8	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-51.7	173.3	165.5	-96.1	0	0	0	112	F336 L339 I380 A383 Y387 A410 E411 C416 L417 V418	F336-F414 HydrophobicContact CB-CD1 4.44Å; F336-F414 HydrophobicContact CD2-CB 3.65Å; F336-F414 AromaticContact CD2-CD1 3.66Å; F336-F414 HydrophobicContact CD2-CD1 3.66Å; F336-F414 HydrophobicContact CD2-CD2 4.01Å; F336-F414 HydrophobicContact CD2-CE1 4.33Å; F336-F414 AromaticContact CD2-CG 3.49Å; F336-F414 HydrophobicContact CD2-CG 3.49Å; F336-F414 VanDerWaalsContact CD2-CG 3.49Å; F336-F414 HydrophobicContact CE2-CB 3.61Å; F336-F414 HydrophobicContact CE2-CD1 4.43Å; F336-F414 HydrophobicContact CE2-CD2 4.11Å; F336-F414 AromaticContact CE2-CG 3.8Å; F336-F414 HydrophobicContact CE2-CG 3.8Å; F336-F414 HydrophobicContact CG-CD1 4.44Å; L339-F414 HydrophobicContact CD1-CE1 4.16Å; L339-F414 HydrophobicContact CD1-CE2 4.33Å; L339-F414 HydrophobicContact CD1-CZ 3.59Å; I380-F414 HydrophobicContact CG2-CB 4.28Å; A383-F414 HydrophobicContact CB-CD2 3.97Å; A383-F414 HydrophobicContact CB-CE2 3.91Å; Y387-F414 HydrophobicContact CD1-CZ 4.35Å; Y387-F414 HydrophobicContact CD2-CZ 4.34Å; Y387-F414 HydrophobicContact CG-CZ 4Å; A410-F414 WeakPolarHBondContact O-CB 3.47Å; A410-F414 PolarHBondContact O-N 3.21Å; E411-F414 WeakPolarHBondContact O-CB 3.43Å; E411-F414 PolarHBondContact O-N 3.28Å; F414-C416 VanDerWaalsContact C-N 3.28Å; F414-C416 PolarHBondContact O-N 3.23Å; F414-L417 WeakPolarHBondContact O-CB 3.36Å; F414-L417 PolarHBondContact O-N 3.24Å; F414-V418 HydrophobicContact CD2-CG2 4.48Å; F414-V418 HydrophobicContact CE1-CG2 4.14Å; F414-V418 HydrophobicContact CE2-CG2 4.03Å; F414-V418 HydrophobicContact CZ-CG2 3.84Å; F414-V418 WeakPolarHBondContact O-CG2 3.35Å; F414-V418 PolarHBondContact O-N 2.96Å
415	W	98.6	Very high	97.1	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-29.4	179	-69.4	116.1	0	0	0	113	S325 L328 L329 N332 K335 Y387 E411 V418 Q419	S325-W415 VanDerWaalsContact CB-C 3.49Å; S325-W415 VanDerWaalsContact CB-O 3.22Å; S325-W415 WeakPolarHBondContact CB-O 3.22Å; L328-W415 HydrophobicContact CB-CD2 4.03Å; L328-W415 HydrophobicContact CB-CE3 3.62Å; L328-W415 HydrophobicContact CB-CG 4.5Å; L328-W415 HydrophobicContact CB-CZ3 4.1Å; L328-W415 HydrophobicContact CD1-CE3 3.92Å; L328-W415 HydrophobicContact CD1-CZ3 4.36Å; L328-W415 HydrophobicContact CG-CE3 4.43Å; L329-W415 HydrophobicContact CB-CG 4.16Å; N332-W415 HydrophobicContact CB-CH2 3.66Å; N332-W415 HydrophobicContact CB-CZ2 3.48Å; N332-W415 VanDerWaalsContact CB-CZ2 3.48Å; K335-W415 HydrophobicContact CB-CZ2 4.32Å; Y387-W415 HydrophobicContact CE2-CZ3 4.39Å; E411-W415 PolarHBondContact O-N 2.84Å; W415-V418 HydrophobicContact CE3-CB 4.41Å; W415-V418 HydrophobicContact CE3-CG1 4.44Å; W415-V418 HydrophobicContact CE3-CG2 4.41Å; W415-Q419 PolarHBondContact O-N 3.01Å
416	C	98.6	Very high	96.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.9	-42.8	169.2	-71.9	0	0	0	0	112.4	S325 L404 M408 Q412 A413 F414 Q419 I420	S325-C416 PolarHBondContact OG-SG 3.06Å; L404-C416 HydrophobicContact CD1-CB 3.73Å; L404-C416 HydrophobicContact CD2-CB 3.57Å; L404-C416 HydrophobicContact CG-CB 4.24Å; M408-C416 HydrophobicContact SD-CB 4.36Å; Q412-C416 WeakPolarHBondContact O-CB 3.34Å; Q412-C416 PolarHBondContact O-N 3.23Å; Q412-C416 PolarHBondContact O-SG 3.35Å; A413-C416 PolarHBondContact O-N 2.87Å; F414-C416 VanDerWaalsContact C-N 3.28Å; F414-C416 PolarHBondContact O-N 3.23Å; C416-Q419 PolarHBondContact O-N 2.91Å; C416-I420 WeakPolarHBondContact O-CG1 3.09Å; C416-I420 PolarHBondContact O-N 3.47Å
417	L	98.6	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-45.5	176.2	-177.7	66.9	0	0	0	111	I380 L381 Y384 V400 A401 L404 A413 F414 Q419 I420 C421	I380-L417 HydrophobicContact CG2-CD2 3.91Å; L381-L417 HydrophobicContact CD2-CD2 4.26Å; Y384-L417 HydrophobicContact CD2-CD2 3.92Å; Y384-L417 HydrophobicContact CD2-CG 4.08Å; Y384-L417 HydrophobicContact CE2-CG 4.46Å; Y384-L417 HydrophobicContact CG-CD2 4.2Å; V400-L417 HydrophobicContact CB-CD1 4.37Å; V400-L417 HydrophobicContact CG1-CD1 3.82Å; A401-L417 HydrophobicContact CB-CD2 4.23Å; L404-L417 HydrophobicContact CD1-CB 4.12Å; A413-L417 PolarHBondContact O-N 3.47Å; F414-L417 WeakPolarHBondContact O-CB 3.36Å; F414-L417 PolarHBondContact O-N 3.24Å; L417-Q419 VanDerWaalsContact C-N 3.35Å; L417-Q419 PolarHBondContact O-N 3.48Å; L417-I420 WeakPolarHBondContact O-CB 3.39Å; L417-I420 PolarHBondContact O-N 3.1Å; L417-I420 VanDerWaalsContact O-N 3.11Å; L417-C421 PolarHBondContact O-N 3.19Å; L417-C421 PolarHBondContact O-SG 3.02Å; L417-C421 VanDerWaalsContact O-SG 3.38Å
418	V	97.8	Very high	96.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54.3	-47.7	173.9	168.8	0	0	0	0	111.7	L328 Y384 Y387 F414 W415 I420 C421 E422	L328-V418 HydrophobicContact CD1-CG1 4.05Å; Y384-V418 HydrophobicContact CD2-CG2 4.22Å; Y384-V418 HydrophobicContact CE2-CG2 4.29Å; Y387-V418 HydrophobicContact CD1-CG2 3.79Å; Y387-V418 HydrophobicContact CE1-CB 4.33Å; Y387-V418 HydrophobicContact CE1-CG1 3.62Å; Y387-V418 HydrophobicContact CE1-CG2 3.71Å; F414-V418 HydrophobicContact CD2-CG2 4.48Å; F414-V418 HydrophobicContact CE1-CG2 4.14Å; F414-V418 HydrophobicContact CE2-CG2 4.03Å; F414-V418 HydrophobicContact CZ-CG2 3.84Å; F414-V418 WeakPolarHBondContact O-CG2 3.35Å; F414-V418 PolarHBondContact O-N 2.96Å; W415-V418 HydrophobicContact CE3-CB 4.41Å; W415-V418 HydrophobicContact CE3-CG1 4.44Å; W415-V418 HydrophobicContact CE3-CG2 4.41Å; V418-I420 PolarHBondContact O-N 3.31Å; V418-C421 PolarHBondContact O-N 3.49Å; V418-E422 HydrophobicContact CG1-CG 4.43Å; V418-E422 WeakPolarHBondContact O-CB 3.37Å; V418-E422 WeakPolarHBondContact O-CG 3.43Å; V418-E422 PolarHBondContact O-N 2.71Å
419	Q	96.8	Very high	96.1	Very high	7 Å²	7	14.8 Å²	14.8	3%	0.033	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-39.2	176.7	-71.7	-68.5	75.2	0	0	112.6	S323 L328 W415 C416 L417 K423 Y424	S323-Q419 PolarHBondContact O-NE2 2.85Å; L328-Q419 HydrophobicContact CD1-CG 3.85Å; W415-Q419 PolarHBondContact O-N 3.01Å; C416-Q419 PolarHBondContact O-N 2.91Å; L417-Q419 VanDerWaalsContact C-N 3.35Å; L417-Q419 PolarHBondContact O-N 3.48Å; Q419-K423 WeakPolarHBondContact O-CB 3.42Å; Q419-K423 PolarHBondContact O-N 3.48Å; Q419-Y424 WeakPolarHBondContact O-CD2 3.43Å; Q419-Y424 PolarHBondContact O-N 3.16Å
420	I	97.2	Very high	95.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-58.6	-54.1	176.3	-71.4	176.2	0	0	0	110.2	V400 L404 C416 L417 V418 Y424 L425 I476 W490 F493 F494	V400-I420 HydrophobicContact CG1-CD1 3.74Å; V400-I420 HydrophobicContact CG1-CG2 4.26Å; L404-I420 HydrophobicContact CD1-CD1 4.11Å; C416-I420 WeakPolarHBondContact O-CG1 3.09Å; C416-I420 PolarHBondContact O-N 3.47Å; L417-I420 WeakPolarHBondContact O-CB 3.39Å; L417-I420 PolarHBondContact O-N 3.1Å; L417-I420 VanDerWaalsContact O-N 3.11Å; V418-I420 PolarHBondContact O-N 3.31Å; I420-Y424 WeakPolarHBondContact O-CB 3.39Å; I420-Y424 PolarHBondContact O-N 2.93Å; I420-L425 HydrophobicContact CG2-CD1 3.73Å; I420-L425 HydrophobicContact CG2-CG 4.19Å; I420-L425 WeakPolarHBondContact O-CB 3.23Å; I420-L425 PolarHBondContact O-N 3.3Å; I420-I476 HydrophobicContact CD1-CD1 4.21Å; I420-I476 HydrophobicContact CG2-CD1 3.93Å; I420-W490 HydrophobicContact CD1-CH2 4.2Å; I420-W490 HydrophobicContact CD1-CZ3 4.03Å; I420-F493 HydrophobicContact CG1-CE1 4.2Å; I420-F494 HydrophobicContact CD1-CE1 4.18Å; I420-F494 HydrophobicContact CD1-CZ 3.92Å; I420-F494 HydrophobicContact CG1-CE1 3.93Å; I420-F494 HydrophobicContact CG1-CZ 4.19Å
421	C	95.3	Very high	95.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-63.9	-53.7	-178.2	-61.8	0	0	0	0	111.5	Y384 L417 V418 L425 P426 Y429	Y384-C421 HydrophobicContact CE2-CB 3.97Å; Y384-C421 WeakPolarHBondContact OH-CB 3.42Å; L417-C421 PolarHBondContact O-N 3.19Å; L417-C421 PolarHBondContact O-SG 3.02Å; L417-C421 VanDerWaalsContact O-SG 3.38Å; V418-C421 PolarHBondContact O-N 3.49Å; C421-L425 CarbonylContact O-C 3.58Å; C421-P426 WeakPolarHBondContact O-CA 3.49Å; C421-Y429 HydrophobicContact CB-CD2 4.15Å; C421-Y429 HydrophobicContact CB-CE2 4.28Å; C421-Y429 VanDerWaalsContact SG-CD2 3.53Å; C421-Y429 WeakPolarHBondContact SG-CE2 3.3Å
422	E	92.1	Very high	94.5	Very high	39 Å²	39	15.3 Å²	15.3	18%	0.182	10%	0.1	C	C	.	.	I	π-helix	trans	-75.4	-39.9	-172.5	-66.1	-167.8	-172.7	0	0	114.6	Y387 R388 V418	Y387-E422 WeakPolarHBondContact CE1-OE1 3.2Å; Y387-E422 PolarHBondContact OH-OE1 3.38Å; R388-E422 IonicContact CZ-OE1 3.7Å; R388-E422 IonicContact NE-OE1 2.69Å; R388-E422 PolarHBondContact NE-OE1 3.22Å; R388-E422 VanDerWaalsContact NE-OE1 3.1Å; R388-E422 VanDerWaalsContact NH2-CD 3.31Å; R388-E422 IonicContact NH2-OE1 3.72Å; R388-E422 PolarHBondContact NH2-OE1 2.93Å; R388-E422 IonicContact NH2-OE2 3.15Å; V418-E422 HydrophobicContact CG1-CG 4.43Å; V418-E422 WeakPolarHBondContact O-CB 3.37Å; V418-E422 WeakPolarHBondContact O-CG 3.43Å; V418-E422 PolarHBondContact O-N 2.71Å
423	K	92	Very high	94.1	Very high	60 Å²	60	13.8 Å²	13.8	26%	0.261	9%	0.092	S	C	.	.	I	π-helix	trans	-105.2	-37.5	-165.7	-43.1	-52.3	179.6	-161.1	0	113	Q419 L585	Q419-K423 WeakPolarHBondContact O-CB 3.42Å; Q419-K423 PolarHBondContact O-N 3.48Å; K423-L585 HydrophobicContact CB-CB 4.44Å; K423-L585 HydrophobicContact CB-CD1 4.2Å; K423-L585 PolarHBondContact O-N 2.82Å
424	Y	94.3	Very high	93.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-91.2	-45.8	-177.9	-70.8	-109.2	0	0	0	111.7	L322 Q419 I420 F493 F494 R584 I591	L322-Y424 PolarHBondContact O-OH 3.1Å; Q419-Y424 WeakPolarHBondContact O-CD2 3.43Å; Q419-Y424 PolarHBondContact O-N 3.16Å; I420-Y424 WeakPolarHBondContact O-CB 3.39Å; I420-Y424 PolarHBondContact O-N 2.93Å; Y424-F493 HydrophobicContact CD1-CD2 4.36Å; Y424-F493 AromaticContact CD1-CE1 3.95Å; Y424-F493 HydrophobicContact CD1-CE1 3.95Å; Y424-F493 AromaticContact CD1-CE2 3.76Å; Y424-F493 HydrophobicContact CD1-CE2 3.76Å; Y424-F493 AromaticContact CD1-CZ 3.54Å; Y424-F493 HydrophobicContact CD1-CZ 3.54Å; Y424-F493 HydrophobicContact CE1-CZ 4.48Å; Y424-F493 WeakPolarHBondContact CE1-O 3.35Å; Y424-F493 HydrophobicContact CG-CE1 4.32Å; Y424-F493 HydrophobicContact CG-CE2 4.35Å; Y424-F493 AromaticContact CG-CZ 3.81Å; Y424-F493 HydrophobicContact CG-CZ 3.81Å; Y424-F494 HydrophobicContact CE1-CD1 4.46Å; Y424-F494 HydrophobicContact CE2-CD1 4.5Å; Y424-F494 PolarHBondContact OH-O 2.92Å; Y424-R584 WeakPolarHBondContact O-CD 3.36Å; Y424-I591 HydrophobicContact CE2-CD1 3.69Å; Y424-I591 WeakPolarHBondContact OH-CD1 3.33Å
425	L	94.5	Very high	93.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-125.4	36.9	-170.1	-50.7	-177	0	0	0	115.5	I420 C421 G427 Y428 Y429 I476 F493 V498 I501	I420-L425 HydrophobicContact CG2-CD1 3.73Å; I420-L425 HydrophobicContact CG2-CG 4.19Å; I420-L425 WeakPolarHBondContact O-CB 3.23Å; I420-L425 PolarHBondContact O-N 3.3Å; C421-L425 CarbonylContact O-C 3.58Å; L425-G427 PolarHBondContact O-N 2.97Å; L425-Y428 HydrophobicContact CB-CD1 4.18Å; L425-Y428 HydrophobicContact CB-CD2 3.72Å; L425-Y428 HydrophobicContact CB-CE2 4.18Å; L425-Y428 HydrophobicContact CB-CG 3.74Å; L425-Y428 HydrophobicContact CD1-CD2 3.87Å; L425-Y428 HydrophobicContact CD1-CE2 4.09Å; L425-Y428 HydrophobicContact CD2-CD2 4.08Å; L425-Y428 HydrophobicContact CD2-CE2 3.65Å; L425-Y428 HydrophobicContact CG-CD2 4.09Å; L425-Y428 HydrophobicContact CG-CE2 4.18Å; L425-Y428 WeakPolarHBondContact O-CB 3.33Å; L425-Y428 PolarHBondContact O-N 3.14Å; L425-Y429 HydrophobicContact CB-CE2 4.44Å; L425-I476 HydrophobicContact CD1-CD1 3.95Å; L425-I476 HydrophobicContact CD1-CG1 4.05Å; L425-F493 HydrophobicContact CD1-CZ 4.33Å; L425-F493 HydrophobicContact CD2-CE2 4.09Å; L425-F493 HydrophobicContact CD2-CZ 4.23Å; L425-F493 HydrophobicContact CG-CZ 4.21Å; L425-V498 HydrophobicContact CD2-CB 4.31Å; L425-V498 HydrophobicContact CD2-CG2 3.87Å; L425-I501 HydrophobicContact CD1-CD1 4.49Å; L425-I501 HydrophobicContact CD2-CD1 3.84Å
426	P	92.3	Very high	93.3	Very high	24 Å²	24	15.4 Å²	15.4	16%	0.156	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	132.2	-177.3	22.1	-35	0	0	0	112.7	C421 Y428 H579 R584	C421-P426 WeakPolarHBondContact O-CA 3.49Å; P426-Y428 VanDerWaalsContact C-N 3.32Å; P426-H579 PolarHBondContact O-CE1 3.12Å; P426-R584 HydrophobicContact CG-CG 3.56Å
427	G	91.4	Very high	93.2	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	0.9	-177.9	0	0	0	0	0	115.2	L425 S430 A435	L425-G427 PolarHBondContact O-N 2.97Å; G427-S430 WeakPolarHBondContact CA-OG 3.11Å; G427-A435 VanDerWaalsContact C-CB 3.45Å; G427-A435 WeakPolarHBondContact O-CB 3.38Å
428	Y	93.7	Very high	93	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-69.7	-41.2	177.9	-89.4	31.8	0	0	0	112.3	L425 P426 A435 I436 D439 F473 M474 R584	L425-Y428 HydrophobicContact CB-CD1 4.18Å; L425-Y428 HydrophobicContact CB-CD2 3.72Å; L425-Y428 HydrophobicContact CB-CE2 4.18Å; L425-Y428 HydrophobicContact CB-CG 3.74Å; L425-Y428 HydrophobicContact CD1-CD2 3.87Å; L425-Y428 HydrophobicContact CD1-CE2 4.09Å; L425-Y428 HydrophobicContact CD2-CD2 4.08Å; L425-Y428 HydrophobicContact CD2-CE2 3.65Å; L425-Y428 HydrophobicContact CG-CD2 4.09Å; L425-Y428 HydrophobicContact CG-CE2 4.18Å; L425-Y428 WeakPolarHBondContact O-CB 3.33Å; L425-Y428 PolarHBondContact O-N 3.14Å; P426-Y428 VanDerWaalsContact C-N 3.32Å; Y428-A435 HydrophobicContact CD1-CB 3.92Å; Y428-A435 HydrophobicContact CE1-CB 4.41Å; Y428-I436 HydrophobicContact CD1-CD1 3.66Å; Y428-I436 HydrophobicContact CD2-CD1 3.34Å; Y428-I436 HydrophobicContact CE1-CD1 3.87Å; Y428-I436 HydrophobicContact CE2-CD1 3.57Å; Y428-I436 HydrophobicContact CG-CD1 3.37Å; Y428-I436 HydrophobicContact CG-CG1 4.37Å; Y428-D439 PolarHBondContact OH-OD2 2.74Å; Y428-F473 HydrophobicContact CE2-CB 4.14Å; Y428-M474 HydrophobicContact CD2-CG 4.4Å; Y428-M474 WeakPolarHBondContact O-CE 3.27Å; Y428-R584 PolarHBondContact OH-NH1 3.49Å
429	Y	93.5	Very high	92.9	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.027	11%	0.112	C	C	.	.	S	Bend	trans	-95.5	-12.5	-171.3	-55.6	-68.6	0	0	0	113	C394 A396 Q397 C421 L425 M474	C394-Y429 HydrophobicContact CB-CD1 3.98Å; C394-Y429 HydrophobicContact CB-CG 4.34Å; A396-Y429 HydrophobicContact CB-CE1 4.16Å; Q397-Y429 HydrophobicContact CG-CD1 3.52Å; Q397-Y429 HydrophobicContact CG-CD2 4.31Å; Q397-Y429 HydrophobicContact CG-CE1 3.8Å; Q397-Y429 HydrophobicContact CG-CG 3.81Å; C421-Y429 HydrophobicContact CB-CD2 4.15Å; C421-Y429 HydrophobicContact CB-CE2 4.28Å; C421-Y429 VanDerWaalsContact SG-CD2 3.53Å; C421-Y429 WeakPolarHBondContact SG-CE2 3.3Å; L425-Y429 HydrophobicContact CB-CE2 4.44Å; Y429-M474 HydrophobicContact CD1-CE 4.13Å; Y429-M474 HydrophobicContact CE1-CB 4.33Å; Y429-M474 PolarHBondContact OH-O 2.75Å
430	S	90	Very high	92.9	Very high	24 Å²	24	17.6 Å²	17.6	17%	0.168	11%	0.112	C	C	.	.	S	Bend	trans	-68.1	155.9	178.1	-22.6	0	0	0	0	112.6	E391 G427 L433	E391-S430 PolarHBondContact OE1-OG 3.25Å; G427-S430 WeakPolarHBondContact CA-OG 3.11Å; S430-L433 PolarHBondContact O-N 2.75Å
431	A	86.1	Confident	92.9	Very high	85 Å²	85	21.5 Å²	21.5	70%	0.702	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-53	145.4	-179.2	0	0	0	0	0	113.7	L433	A431-L433 PolarHBondContact O-N 3.31Å
432	G	85.9	Confident	93	Very high	34 Å²	34	21.5 Å²	21.5	35%	0.351	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	77.9	-11.3	179.8	0	0	0	0	0	115.8	E434 Q437	G432-E434 PolarHBondContact O-N 3.08Å; G432-Q437 PolarHBondContact O-NE2 2.9Å
433	L	90.5	Very high	93.3	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	56.6	30.5	173.6	-50.8	176.7	0	0	0	114.1	T212 L216 S430 A431 A435 I436 Q437 M474	T212-L433 HydrophobicContact CG2-CD1 4.21Å; L216-L433 HydrophobicContact CD1-CD1 3.99Å; L216-L433 HydrophobicContact CD1-CD2 4.37Å; L216-L433 HydrophobicContact CG-CD1 4.22Å; S430-L433 PolarHBondContact O-N 2.75Å; A431-L433 PolarHBondContact O-N 3.31Å; L433-A435 VanDerWaalsContact C-N 3.28Å; L433-A435 PolarHBondContact O-N 3.29Å; L433-I436 HydrophobicContact CB-CB 4.38Å; L433-I436 HydrophobicContact CB-CG1 4.45Å; L433-I436 PolarHBondContact O-N 3.17Å; L433-I436 VanDerWaalsContact O-N 3.09Å; L433-Q437 PolarHBondContact O-N 2.87Å; L433-M474 HydrophobicContact CD2-CE 3.73Å; L433-M474 HydrophobicContact CD2-SD 4.22Å
434	E	92.3	Very high	93.6	Very high	31 Å²	31	17.6 Å²	17.6	15%	0.145	11%	0.113	C	C	.	.	H	α-helix	trans	-56	-39.9	-174.9	-76.6	-170.4	178.3	0	0	113	G432 I436 Q437 L438 W570 L577 T578 H579	G432-E434 PolarHBondContact O-N 3.08Å; E434-I436 VanDerWaalsContact C-N 3.34Å; E434-I436 PolarHBondContact O-N 3.24Å; E434-Q437 PolarHBondContact O-N 2.98Å; E434-L438 WeakPolarHBondContact O-CB 3.2Å; E434-L438 PolarHBondContact O-N 2.82Å; E434-W570 HydrophobicContact CG-CZ2 4.34Å; E434-L577 HydrophobicContact CB-CD2 4.07Å; E434-L577 HydrophobicContact CG-CD2 4.33Å; E434-L577 WeakPolarHBondContact OE2-CA 3.3Å; E434-L577 WeakPolarHBondContact OE2-CB 3.43Å; E434-L577 VanDerWaalsContact OE2-CD2 3.27Å; E434-L577 WeakPolarHBondContact OE2-CD2 3.48Å; E434-T578 PolarHBondContact OE1-N 3.09Å; E434-T578 VanDerWaalsContact OE1-N 3.1Å; E434-T578 PolarHBondContact OE1-OG1 2.86Å; E434-T578 PolarHBondContact OE2-N 3.11Å; E434-T578 PolarHBondContact OE2-OG1 2.98Å; E434-H579 PolarHBondContact OE2-N 3.15Å; E434-H579 VanDerWaalsContact OE2-N 3.16Å
435	A	92.6	Very high	93.7	Very high	6 Å²	6	18.6 Å²	18.6	5%	0.05	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-36.1	179.6	0	0	0	0	0	112.3	G427 Y428 L433 D439	G427-A435 VanDerWaalsContact C-CB 3.45Å; G427-A435 WeakPolarHBondContact O-CB 3.38Å; Y428-A435 HydrophobicContact CD1-CB 3.92Å; Y428-A435 HydrophobicContact CE1-CB 4.41Å; L433-A435 VanDerWaalsContact C-N 3.28Å; L433-A435 PolarHBondContact O-N 3.29Å; A435-D439 VanDerWaalsContact O-CB 3.3Å; A435-D439 WeakPolarHBondContact O-CB 3.46Å; A435-D439 PolarHBondContact O-N 3.44Å
436	I	94.6	Very high	93.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-44.5	175	-55.6	-62.7	0	0	0	110.6	Y428 L433 E434 L438 D439 G440 I466 T470 M474	Y428-I436 HydrophobicContact CD1-CD1 3.66Å; Y428-I436 HydrophobicContact CD2-CD1 3.34Å; Y428-I436 HydrophobicContact CE1-CD1 3.87Å; Y428-I436 HydrophobicContact CE2-CD1 3.57Å; Y428-I436 HydrophobicContact CG-CD1 3.37Å; Y428-I436 HydrophobicContact CG-CG1 4.37Å; L433-I436 HydrophobicContact CB-CB 4.38Å; L433-I436 HydrophobicContact CB-CG1 4.45Å; L433-I436 PolarHBondContact O-N 3.17Å; L433-I436 VanDerWaalsContact O-N 3.09Å; E434-I436 VanDerWaalsContact C-N 3.34Å; E434-I436 PolarHBondContact O-N 3.24Å; I436-L438 PolarHBondContact O-N 3.04Å; I436-D439 CarbonylContact O-C 3.56Å; I436-D439 PolarHBondContact O-N 2.96Å; I436-G440 PolarHBondContact O-N 2.93Å; I436-I466 HydrophobicContact CB-CD1 4.48Å; I436-I466 HydrophobicContact CG2-CD1 3.75Å; I436-T470 HydrophobicContact CG2-CG2 4.3Å; I436-M474 HydrophobicContact CD1-CG 3.43Å; I436-M474 VanDerWaalsContact CD1-CG 3.43Å; I436-M474 HydrophobicContact CD1-SD 4.16Å; I436-M474 HydrophobicContact CG1-CG 3.88Å; I436-M474 HydrophobicContact CG1-SD 3.91Å
437	Q	94.8	Very high	94.2	Very high	44 Å²	44	17.5 Å²	17.5	21%	0.206	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-43.4	177.5	-68.1	-174.9	60.5	0	0	111.7	G432 L433 E434 G440 E441 I466 W570	G432-Q437 PolarHBondContact O-NE2 2.9Å; L433-Q437 PolarHBondContact O-N 2.87Å; E434-Q437 PolarHBondContact O-N 2.98Å; Q437-G440 PolarHBondContact O-N 2.99Å; Q437-E441 PolarHBondContact O-N 2.72Å; Q437-I466 HydrophobicContact CG-CD1 3.98Å; Q437-W570 HydrophobicContact CB-CH2 3.58Å; Q437-W570 HydrophobicContact CB-CZ3 3.83Å; Q437-W570 HydrophobicContact CG-CH2 4.44Å
438	L	94.9	Very high	94.5	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-43.8	174	176.3	63.9	0	0	0	111.7	E434 I436 G440 E441 I442 Q566 V567 L577 P581	E434-L438 WeakPolarHBondContact O-CB 3.2Å; E434-L438 PolarHBondContact O-N 2.82Å; I436-L438 PolarHBondContact O-N 3.04Å; L438-G440 VanDerWaalsContact C-N 3.26Å; L438-G440 PolarHBondContact O-N 3.5Å; L438-E441 PolarHBondContact O-N 3.47Å; L438-I442 HydrophobicContact CG-CD1 4.22Å; L438-I442 WeakPolarHBondContact O-CG1 3.41Å; L438-I442 PolarHBondContact O-N 2.9Å; L438-I442 VanDerWaalsContact O-N 3.08Å; L438-Q566 HydrophobicContact CD1-CB 3.66Å; L438-V567 HydrophobicContact CD1-CG2 3.88Å; L438-V567 HydrophobicContact CD2-CG2 3.65Å; L438-V567 HydrophobicContact CG-CG2 4.4Å; L438-L577 HydrophobicContact CD2-CD1 4.31Å; L438-P581 HydrophobicContact CD2-CB 4.35Å
439	D	96	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-25.8	177.3	-84	17.4	0	0	0	112.8	Y428 A435 I436 I442 F443 M469 F502 R584	Y428-D439 PolarHBondContact OH-OD2 2.74Å; A435-D439 VanDerWaalsContact O-CB 3.3Å; A435-D439 WeakPolarHBondContact O-CB 3.46Å; A435-D439 PolarHBondContact O-N 3.44Å; I436-D439 CarbonylContact O-C 3.56Å; I436-D439 PolarHBondContact O-N 2.96Å; D439-I442 PolarHBondContact O-N 3Å; D439-I442 WeakPolarHBondContact OD1-CD1 3.3Å; D439-F443 WeakPolarHBondContact O-CB 3.43Å; D439-F443 PolarHBondContact O-N 3.28Å; D439-M469 HydrophobicContact CB-CE 4.45Å; D439-F502 HydrophobicContact CB-CE1 4.43Å; D439-F502 HydrophobicContact CB-CZ 3.92Å; D439-F502 WeakPolarHBondContact OD2-CZ 3.5Å; D439-R584 VanDerWaalsContact CG-NH2 3.27Å; D439-R584 IonicContact OD1-CZ 3.24Å; D439-R584 IonicContact OD1-NH1 3.13Å; D439-R584 IonicContact OD1-NH2 3.57Å; D439-R584 PolarHBondContact OD1-NH2 2.89Å; D439-R584 IonicContact OD2-CZ 3.24Å; D439-R584 VanDerWaalsContact OD2-CZ 3.3Å; D439-R584 IonicContact OD2-NH1 3.85Å; D439-R584 PolarHBondContact OD2-NH1 2.83Å; D439-R584 IonicContact OD2-NH2 2.72Å; D439-R584 PolarHBondContact OD2-NH2 2.77Å
440	G	97.2	Very high	94.8	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-47.1	167.8	0	0	0	0	0	113.2	I436 Q437 L438 I442 F443 F444 P465 M469	I436-G440 PolarHBondContact O-N 2.93Å; Q437-G440 PolarHBondContact O-N 2.99Å; L438-G440 VanDerWaalsContact C-N 3.26Å; L438-G440 PolarHBondContact O-N 3.5Å; G440-I442 VanDerWaalsContact C-N 3.28Å; G440-I442 PolarHBondContact O-N 2.84Å; G440-F443 PolarHBondContact O-N 3.39Å; G440-F444 VanDerWaalsContact O-CB 3.29Å; G440-F444 WeakPolarHBondContact O-CB 3.5Å; G440-F444 PolarHBondContact O-N 2.73Å; G440-P465 WeakPolarHBondContact O-CG 3.5Å; G440-M469 WeakPolarHBondContact CA-SD 3.4Å
441	E	96.8	Very high	95.1	Very high	82 Å²	82	33.7 Å²	33.7	38%	0.383	18%	0.176	S	C	.	.	H	α-helix	trans	-62.7	-36	175	-74.7	-68.7	176.9	0	0	112.3	Q437 L438 S445 Q566	Q437-E441 PolarHBondContact O-N 2.72Å; L438-E441 PolarHBondContact O-N 3.47Å; E441-S445 VanDerWaalsContact O-CB 3.23Å; E441-S445 WeakPolarHBondContact O-CB 3.47Å; E441-S445 PolarHBondContact O-N 2.86Å; E441-S445 PolarHBondContact O-OG 3.01Å; E441-Q566 HydrophobicContact CB-CB 4.19Å; E441-Q566 HydrophobicContact CB-CG 3.91Å
442	I	97.1	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-53	173	-66	165.3	0	0	0	110.1	L438 D439 G440 F444 S445 L446 F502 I559 E562 C563 Q566	L438-I442 HydrophobicContact CG-CD1 4.22Å; L438-I442 WeakPolarHBondContact O-CG1 3.41Å; L438-I442 PolarHBondContact O-N 2.9Å; L438-I442 VanDerWaalsContact O-N 3.08Å; D439-I442 PolarHBondContact O-N 3Å; D439-I442 WeakPolarHBondContact OD1-CD1 3.3Å; G440-I442 VanDerWaalsContact C-N 3.28Å; G440-I442 PolarHBondContact O-N 2.84Å; I442-F444 PolarHBondContact O-N 3.17Å; I442-S445 CarbonylContact O-C 3.56Å; I442-S445 WeakPolarHBondContact O-CA 3.43Å; I442-S445 WeakPolarHBondContact O-CB 3.32Å; I442-S445 PolarHBondContact O-N 2.66Å; I442-S445 VanDerWaalsContact O-N 3.1Å; I442-L446 HydrophobicContact CG2-CD1 3.93Å; I442-L446 HydrophobicContact CG2-CG 4.39Å; I442-L446 WeakPolarHBondContact O-CG 3.38Å; I442-L446 PolarHBondContact O-N 3.07Å; I442-F502 HydrophobicContact CB-CE1 4.09Å; I442-F502 HydrophobicContact CB-CZ 4.4Å; I442-F502 HydrophobicContact CG2-CD1 4.44Å; I442-F502 HydrophobicContact CG2-CE1 3.61Å; I442-F502 HydrophobicContact CG2-CZ 3.93Å; I442-I559 HydrophobicContact CG2-CG2 4.35Å; I442-E562 HydrophobicContact CB-CG 4.46Å; I442-E562 HydrophobicContact CG2-CB 4.13Å; I442-E562 HydrophobicContact CG2-CG 4.15Å; I442-C563 HydrophobicContact CD1-CB 3.57Å; I442-C563 HydrophobicContact CG1-CB 4.41Å; I442-Q566 HydrophobicContact CG1-CB 4.15Å; I442-Q566 HydrophobicContact CG1-CG 3.75Å
443	F	98.4	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-44.4	-177.8	174.9	-102.1	0	0	0	112	D439 G440 S445 L446 L447 P465 Y468 M469 F473 F502 L506 L509	D439-F443 WeakPolarHBondContact O-CB 3.43Å; D439-F443 PolarHBondContact O-N 3.28Å; G440-F443 PolarHBondContact O-N 3.39Å; F443-S445 VanDerWaalsContact C-N 3.31Å; F443-S445 PolarHBondContact O-N 3.31Å; F443-L446 WeakPolarHBondContact O-CB 3.31Å; F443-L446 PolarHBondContact O-N 2.78Å; F443-L447 WeakPolarHBondContact O-CB 3.37Å; F443-L447 PolarHBondContact O-N 3.21Å; F443-P465 HydrophobicContact CD1-CB 4.45Å; F443-Y468 AromaticContact CE1-CE2 3.86Å; F443-Y468 HydrophobicContact CE1-CE2 3.86Å; F443-M469 HydrophobicContact CB-CE 4.06Å; F443-M469 HydrophobicContact CD1-CE 4.49Å; F443-M469 HydrophobicContact CD1-SD 4.31Å; F443-M469 HydrophobicContact CG-CE 4.29Å; F443-F473 HydrophobicContact CB-CZ 4.48Å; F443-F473 HydrophobicContact CD2-CE1 4.25Å; F443-F473 AromaticContact CD2-CZ 3.62Å; F443-F473 HydrophobicContact CD2-CZ 3.62Å; F443-F473 HydrophobicContact CE2-CE1 4.2Å; F443-F473 AromaticContact CE2-CZ 4Å; F443-F473 HydrophobicContact CE2-CZ 4Å; F443-F473 HydrophobicContact CG-CZ 4.15Å; F443-F502 HydrophobicContact CB-CD1 4.06Å; F443-F502 HydrophobicContact CB-CE1 3.93Å; F443-F502 HydrophobicContact CD2-CD1 4.07Å; F443-L506 HydrophobicContact CD2-CD2 4Å; F443-L506 HydrophobicContact CD2-CG 3.99Å; F443-L506 HydrophobicContact CE2-CB 4.45Å; F443-L506 HydrophobicContact CE2-CD2 3.72Å; F443-L506 HydrophobicContact CE2-CG 3.64Å; F443-L506 HydrophobicContact CZ-CD2 4.13Å; F443-L506 HydrophobicContact CZ-CG 4.43Å; F443-L509 HydrophobicContact CE1-CD1 3.49Å; F443-L509 VanDerWaalsContact CE1-CD1 3.49Å; F443-L509 HydrophobicContact CE1-CG 4.44Å; F443-L509 HydrophobicContact CZ-CD1 3.58Å; F443-L509 HydrophobicContact CZ-CG 4.15Å
444	F	97.8	Very high	96.5	Very high	18 Å²	18	34.9 Å²	34.9	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-33.2	176.6	-159.5	-138.9	0	0	0	112.5	G440 I442 L447 R448 Y455 L458 K459 P465	G440-F444 VanDerWaalsContact O-CB 3.29Å; G440-F444 WeakPolarHBondContact O-CB 3.5Å; G440-F444 PolarHBondContact O-N 2.73Å; I442-F444 PolarHBondContact O-N 3.17Å; F444-L447 HydrophobicContact CD2-CD2 4.01Å; F444-L447 HydrophobicContact CE2-CD2 4.24Å; F444-L447 PolarHBondContact O-N 3.37Å; F444-R448 PolarHBondContact O-N 2.72Å; F444-Y455 HydrophobicContact CD1-CD2 4.18Å; F444-Y455 AromaticContact CD1-CE2 3.63Å; F444-Y455 HydrophobicContact CD1-CE2 3.63Å; F444-Y455 AromaticContact CD2-CD2 3.8Å; F444-Y455 HydrophobicContact CD2-CD2 3.8Å; F444-Y455 HydrophobicContact CD2-CE2 4.11Å; F444-Y455 HydrophobicContact CE1-CD2 4.07Å; F444-Y455 AromaticContact CE1-CE2 3.53Å; F444-Y455 HydrophobicContact CE1-CE2 3.53Å; F444-Y455 AromaticContact CE2-CD2 3.66Å; F444-Y455 HydrophobicContact CE2-CD2 3.66Å; F444-Y455 HydrophobicContact CE2-CE2 4.02Å; F444-Y455 HydrophobicContact CG-CD2 4.04Å; F444-Y455 AromaticContact CG-CE2 3.91Å; F444-Y455 HydrophobicContact CG-CE2 3.91Å; F444-Y455 AromaticContact CZ-CD2 3.81Å; F444-Y455 HydrophobicContact CZ-CD2 3.81Å; F444-Y455 AromaticContact CZ-CE2 3.73Å; F444-Y455 HydrophobicContact CZ-CE2 3.73Å; F444-Y455 WeakPolarHBondContact O-CD2 3.38Å; F444-L458 HydrophobicContact CE2-CB 3.89Å; F444-L458 HydrophobicContact CE2-CD1 4.19Å; F444-L458 HydrophobicContact CZ-CB 4.28Å; F444-K459 HydrophobicContact CZ-CB 4.06Å; F444-P465 HydrophobicContact CB-CG 3.69Å; F444-P465 HydrophobicContact CD1-CG 4.5Å; F444-P465 HydrophobicContact CD2-CG 4.2Å; F444-P465 HydrophobicContact CG-CG 3.94Å
445	S	97.8	Very high	96.8	Very high	21 Å²	21	34.6 Å²	34.6	15%	0.147	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-29.4	174.8	-58.9	0	0	0	0	112.5	E441 I442 F443 R449 E562 Q566	E441-S445 VanDerWaalsContact O-CB 3.23Å; E441-S445 WeakPolarHBondContact O-CB 3.47Å; E441-S445 PolarHBondContact O-N 2.86Å; E441-S445 PolarHBondContact O-OG 3.01Å; I442-S445 CarbonylContact O-C 3.56Å; I442-S445 WeakPolarHBondContact O-CA 3.43Å; I442-S445 WeakPolarHBondContact O-CB 3.32Å; I442-S445 PolarHBondContact O-N 2.66Å; I442-S445 VanDerWaalsContact O-N 3.1Å; F443-S445 VanDerWaalsContact C-N 3.31Å; F443-S445 PolarHBondContact O-N 3.31Å; S445-R449 WeakPolarHBondContact O-CG 3.48Å; S445-E562 WeakPolarHBondContact CB-OE1 3.44Å; S445-Q566 PolarHBondContact OG-NE2 2.71Å
446	L	98.3	Very high	97	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-72.1	-41.7	167.9	-65.4	169.3	0	0	0	111.6	I442 F443 R448 R449 T450 F502 L506 V554 L558 I559	I442-L446 HydrophobicContact CG2-CD1 3.93Å; I442-L446 HydrophobicContact CG2-CG 4.39Å; I442-L446 WeakPolarHBondContact O-CG 3.38Å; I442-L446 PolarHBondContact O-N 3.07Å; F443-L446 WeakPolarHBondContact O-CB 3.31Å; F443-L446 PolarHBondContact O-N 2.78Å; L446-R448 VanDerWaalsContact C-N 3.28Å; L446-R448 PolarHBondContact O-N 2.77Å; L446-R449 CarbonylContact O-C 3.4Å; L446-R449 WeakPolarHBondContact O-CA 3.42Å; L446-R449 VanDerWaalsContact O-CB 3.31Å; L446-R449 WeakPolarHBondContact O-CB 3.47Å; L446-R449 PolarHBondContact O-N 2.87Å; L446-T450 PolarHBondContact O-N 3.37Å; L446-T450 PolarHBondContact O-OG1 3Å; L446-F502 HydrophobicContact CD1-CD1 3.7Å; L446-F502 HydrophobicContact CD1-CE1 4.24Å; L446-F502 HydrophobicContact CD1-CG 4.3Å; L446-L506 HydrophobicContact CB-CD1 3.8Å; L446-L506 HydrophobicContact CB-CD2 4.46Å; L446-L506 HydrophobicContact CD1-CD1 4.46Å; L446-V554 HydrophobicContact CD1-CG1 4.26Å; L446-V554 HydrophobicContact CD2-CG1 4.42Å; L446-L558 HydrophobicContact CD2-CD2 3.7Å; L446-L558 HydrophobicContact CD2-CG 3.72Å; L446-I559 HydrophobicContact CD1-CG1 4.03Å
447	L	98.3	Very high	97.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.4	-41.4	175.3	-175.9	70.5	0	0	0	111.5	F443 F444 R449 T450 C451 A454 L458 L506 L509	F443-L447 WeakPolarHBondContact O-CB 3.37Å; F443-L447 PolarHBondContact O-N 3.21Å; F444-L447 HydrophobicContact CD2-CD2 4.01Å; F444-L447 HydrophobicContact CE2-CD2 4.24Å; F444-L447 PolarHBondContact O-N 3.37Å; L447-R449 PolarHBondContact O-N 3.12Å; L447-T450 PolarHBondContact O-N 3.42Å; L447-C451 HydrophobicContact CD1-CB 3.97Å; L447-C451 CarbonylContact O-C 3.59Å; L447-C451 WeakPolarHBondContact O-CA 3.38Å; L447-C451 PolarHBondContact O-N 2.89Å; L447-A454 HydrophobicContact CD1-CB 4.13Å; L447-A454 HydrophobicContact CD2-CB 4.35Å; L447-A454 HydrophobicContact CG-CB 4.46Å; L447-L458 HydrophobicContact CD2-CD1 3.8Å; L447-L506 HydrophobicContact CB-CD2 3.71Å; L447-L506 HydrophobicContact CD1-CD2 3.84Å; L447-L506 HydrophobicContact CG-CD2 4.4Å; L447-L509 HydrophobicContact CD1-CB 3.86Å; L447-L509 HydrophobicContact CD1-CD1 3.76Å; L447-L509 HydrophobicContact CD2-CD1 3.62Å; L447-L509 HydrophobicContact CG-CD1 4.26Å
448	R	97.8	Very high	97.3	Very high	156 Å²	156	42.1 Å²	42.1	59%	0.589	19%	0.188	S	C	*	.	H	α-helix	trans	-55.1	-25	172.4	-171.7	177.3	175.4	-169	-2.8	113.5	F444 L446 Y455	F444-R448 PolarHBondContact O-N 2.72Å; L446-R448 VanDerWaalsContact C-N 3.28Å; L446-R448 PolarHBondContact O-N 2.77Å; R448-Y455 HydrophobicContact CB-CD1 3.96Å; R448-Y455 HydrophobicContact CB-CD2 3.65Å; R448-Y455 HydrophobicContact CB-CE1 4.23Å; R448-Y455 HydrophobicContact CB-CE2 3.92Å; R448-Y455 HydrophobicContact CB-CG 3.67Å; R448-Y455 HydrophobicContact CG-CD1 3.7Å; R448-Y455 HydrophobicContact CG-CD2 4.27Å; R448-Y455 HydrophobicContact CG-CE1 3.78Å; R448-Y455 HydrophobicContact CG-CE2 4.33Å; R448-Y455 HydrophobicContact CG-CG 3.97Å
449	R	96.6	Very high	97.4	Very high	165 Å²	165	47 Å²	47	62%	0.623	21%	0.209	S	C	*	.	H	α-helix	trans	-95.2	-35.2	179.6	-57.8	173.8	60.2	72.6	8.9	113	S445 L446 L447	S445-R449 WeakPolarHBondContact O-CG 3.48Å; L446-R449 CarbonylContact O-C 3.4Å; L446-R449 WeakPolarHBondContact O-CA 3.42Å; L446-R449 VanDerWaalsContact O-CB 3.31Å; L446-R449 WeakPolarHBondContact O-CB 3.47Å; L446-R449 PolarHBondContact O-N 2.87Å; L447-R449 PolarHBondContact O-N 3.12Å
450	T	96.8	Very high	97.5	Very high	44 Å²	44	53.4 Å²	53.4	27%	0.27	24%	0.237	S	C	.	.	H	α-helix	trans	-93.2	-37.6	-176	54.9	0	0	0	0	113.5	L446 L447 L506 L552 V554	L446-T450 PolarHBondContact O-N 3.37Å; L446-T450 PolarHBondContact O-OG1 3Å; L447-T450 PolarHBondContact O-N 3.42Å; T450-L506 HydrophobicContact CG2-CD1 4.36Å; T450-L552 HydrophobicContact CG2-CD1 4.07Å; T450-L552 HydrophobicContact CG2-CD2 4.47Å; T450-L552 HydrophobicContact CG2-CG 4.35Å; T450-V554 HydrophobicContact CG2-CG2 3.84Å
451	C	97.1	Very high	97.4	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.054	24%	0.241	C	C	.	.			trans	-138.7	81.4	175.6	-167.5	0	0	0	0	110.9	L447 M453 A454 Y455	L447-C451 HydrophobicContact CD1-CB 3.97Å; L447-C451 CarbonylContact O-C 3.59Å; L447-C451 WeakPolarHBondContact O-CA 3.38Å; L447-C451 PolarHBondContact O-N 2.89Å; C451-M453 PolarHBondContact O-N 3.48Å; C451-M453 VanDerWaalsContact O-N 3.13Å; C451-A454 HydrophobicContact CB-CB 4.05Å; C451-A454 PolarHBondContact O-N 2.82Å; C451-A454 VanDerWaalsContact SG-CB 3.56Å; C451-Y455 PolarHBondContact O-N 2.94Å; C451-Y455 VanDerWaalsContact O-N 3.14Å
452	P	97.4	Very high	97.4	Very high	72 Å²	72	58 Å²	58	47%	0.468	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-23.8	-177	-23.9	33.7	0	0	0	114.6	R456	P452-R456 VanDerWaalsContact O-CG 3.27Å; P452-R456 WeakPolarHBondContact O-CG 3.47Å; P452-R456 PolarHBondContact O-N 3.16Å; P452-R456 VanDerWaalsContact O-N 3.15Å
453	M	96.9	Very high	97.4	Very high	76 Å²	76	58 Å²	58	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-75.4	-47.9	177.1	67.9	-176.3	86.8	0	0	112.1	C451 Y455 R456 H457 G514 L519	C451-M453 PolarHBondContact O-N 3.48Å; C451-M453 VanDerWaalsContact O-N 3.13Å; M453-Y455 VanDerWaalsContact C-N 3.31Å; M453-Y455 PolarHBondContact O-N 2.9Å; M453-R456 WeakPolarHBondContact O-CB 3.43Å; M453-R456 PolarHBondContact O-N 2.95Å; M453-H457 PolarHBondContact O-N 3.2Å; M453-G514 VanDerWaalsContact SD-C 3.51Å; M453-G514 VanDerWaalsContact SD-O 3.39Å; M453-L519 HydrophobicContact CB-CD1 4.21Å; M453-L519 HydrophobicContact CG-CD1 4.24Å
454	A	97.4	Very high	97.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-43.8	172.7	0	0	0	0	0	111.8	L447 C451 R456 H457 L458 L513	L447-A454 HydrophobicContact CD1-CB 4.13Å; L447-A454 HydrophobicContact CD2-CB 4.35Å; L447-A454 HydrophobicContact CG-CB 4.46Å; C451-A454 HydrophobicContact CB-CB 4.05Å; C451-A454 PolarHBondContact O-N 2.82Å; C451-A454 VanDerWaalsContact SG-CB 3.56Å; A454-R456 PolarHBondContact O-N 2.84Å; A454-H457 WeakPolarHBondContact O-CB 3.38Å; A454-H457 PolarHBondContact O-N 2.96Å; A454-L458 WeakPolarHBondContact O-CG 3.2Å; A454-L458 PolarHBondContact O-N 2.93Å; A454-L513 HydrophobicContact CB-CB 3.57Å; A454-L513 HydrophobicContact CB-CD1 4.34Å
455	Y	98.2	Very high	97.2	Very high	26 Å²	26	62 Å²	62	10%	0.102	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-44.6	173.5	174.2	-96.5	0	0	0	112.8	F444 R448 C451 M453 H457 K459	F444-Y455 HydrophobicContact CD1-CD2 4.18Å; F444-Y455 AromaticContact CD1-CE2 3.63Å; F444-Y455 HydrophobicContact CD1-CE2 3.63Å; F444-Y455 AromaticContact CD2-CD2 3.8Å; F444-Y455 HydrophobicContact CD2-CD2 3.8Å; F444-Y455 HydrophobicContact CD2-CE2 4.11Å; F444-Y455 HydrophobicContact CE1-CD2 4.07Å; F444-Y455 AromaticContact CE1-CE2 3.53Å; F444-Y455 HydrophobicContact CE1-CE2 3.53Å; F444-Y455 AromaticContact CE2-CD2 3.66Å; F444-Y455 HydrophobicContact CE2-CD2 3.66Å; F444-Y455 HydrophobicContact CE2-CE2 4.02Å; F444-Y455 HydrophobicContact CG-CD2 4.04Å; F444-Y455 AromaticContact CG-CE2 3.91Å; F444-Y455 HydrophobicContact CG-CE2 3.91Å; F444-Y455 AromaticContact CZ-CD2 3.81Å; F444-Y455 HydrophobicContact CZ-CD2 3.81Å; F444-Y455 AromaticContact CZ-CE2 3.73Å; F444-Y455 HydrophobicContact CZ-CE2 3.73Å; F444-Y455 WeakPolarHBondContact O-CD2 3.38Å; R448-Y455 HydrophobicContact CB-CD1 3.96Å; R448-Y455 HydrophobicContact CB-CD2 3.65Å; R448-Y455 HydrophobicContact CB-CE1 4.23Å; R448-Y455 HydrophobicContact CB-CE2 3.92Å; R448-Y455 HydrophobicContact CB-CG 3.67Å; R448-Y455 HydrophobicContact CG-CD1 3.7Å; R448-Y455 HydrophobicContact CG-CD2 4.27Å; R448-Y455 HydrophobicContact CG-CE1 3.78Å; R448-Y455 HydrophobicContact CG-CE2 4.33Å; R448-Y455 HydrophobicContact CG-CG 3.97Å; C451-Y455 PolarHBondContact O-N 2.94Å; C451-Y455 VanDerWaalsContact O-N 3.14Å; M453-Y455 VanDerWaalsContact C-N 3.31Å; M453-Y455 PolarHBondContact O-N 2.9Å; Y455-H457 VanDerWaalsContact C-N 3.33Å; Y455-K459 HydrophobicContact CE1-CD 3.87Å; Y455-K459 WeakPolarHBondContact O-CB 3.3Å; Y455-K459 PolarHBondContact O-N 3.36Å; Y455-K459 VanDerWaalsContact O-N 3.11Å; Y455-K459 WeakPolarHBondContact OH-CD 3.42Å; Y455-K459 PolarHBondContact OH-NZ 3.17Å
456	R	97.7	Very high	97	Very high	192 Å²	192	63.1 Å²	63.1	73%	0.725	28%	0.281	S	S	*	.	H	α-helix	trans	-65.9	-36.5	177.2	-77.7	173	65.2	-170.8	-0.9	112.1	P452 M453 A454 K460	P452-R456 VanDerWaalsContact O-CG 3.27Å; P452-R456 WeakPolarHBondContact O-CG 3.47Å; P452-R456 PolarHBondContact O-N 3.16Å; P452-R456 VanDerWaalsContact O-N 3.15Å; M453-R456 WeakPolarHBondContact O-CB 3.43Å; M453-R456 PolarHBondContact O-N 2.95Å; A454-R456 PolarHBondContact O-N 2.84Å; R456-K460 WeakPolarHBondContact O-CB 3.17Å; R456-K460 PolarHBondContact O-N 3.34Å
457	H	97.5	Very high	96.8	Very high	15 Å²	15	65.9 Å²	65.9	7%	0.069	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-58.2	179.5	-168	83.2	0	0	0	111.7	M453 A454 Y455 K459 K460 F461 L519 L522 T528	M453-H457 PolarHBondContact O-N 3.2Å; A454-H457 WeakPolarHBondContact O-CB 3.38Å; A454-H457 PolarHBondContact O-N 2.96Å; Y455-H457 VanDerWaalsContact C-N 3.33Å; H457-K459 PolarHBondContact O-N 3Å; H457-K460 VanDerWaalsContact O-CB 3.31Å; H457-K460 WeakPolarHBondContact O-CB 3.21Å; H457-K460 PolarHBondContact O-N 3.47Å; H457-F461 AromaticContact CE1-CE2 3.48Å; H457-F461 VanDerWaalsContact CE1-CE2 3.48Å; H457-F461 WeakPolarHBondContact CE1-CE2 3.48Å; H457-F461 AromaticContact ND1-CE2 3.84Å; H457-F461 AromaticContact NE2-CD2 3.89Å; H457-F461 AromaticContact NE2-CE2 3.68Å; H457-F461 WeakPolarHBondContact O-CD2 3.37Å; H457-F461 PolarHBondContact O-N 2.78Å; H457-L519 HydrophobicContact CB-CD1 4.27Å; H457-L519 HydrophobicContact CB-CD2 4.16Å; H457-L522 PolarHBondContact CE1-O 3.47Å; H457-T528 PolarHBondContact NE2-OG1 3.39Å
458	L	97.8	Very high	96.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-39.7	177.1	-63.4	175.6	0	0	0	111.5	F444 L447 A454 K460 F461 K462 I463 Y468 L509 L513 T528 L532	F444-L458 HydrophobicContact CE2-CB 3.89Å; F444-L458 HydrophobicContact CE2-CD1 4.19Å; F444-L458 HydrophobicContact CZ-CB 4.28Å; L447-L458 HydrophobicContact CD2-CD1 3.8Å; A454-L458 WeakPolarHBondContact O-CG 3.2Å; A454-L458 PolarHBondContact O-N 2.93Å; L458-K460 PolarHBondContact O-N 3.37Å; L458-F461 CarbonylContact O-C 3.56Å; L458-F461 PolarHBondContact O-N 3.34Å; L458-K462 PolarHBondContact O-N 3.07Å; L458-I463 HydrophobicContact CB-CB 4.39Å; L458-I463 HydrophobicContact CD2-CB 3.88Å; L458-I463 HydrophobicContact CD2-CD1 4.08Å; L458-I463 HydrophobicContact CD2-CG2 3.82Å; L458-I463 PolarHBondContact O-N 2.93Å; L458-Y468 HydrophobicContact CD1-CE1 4.43Å; L458-L509 HydrophobicContact CD1-CD1 4.18Å; L458-L513 HydrophobicContact CD1-CD1 4.16Å; L458-L513 HydrophobicContact CD2-CD1 3.74Å; L458-L513 HydrophobicContact CG-CD1 3.91Å; L458-T528 HydrophobicContact CD2-CG2 3.89Å; L458-L532 HydrophobicContact CD2-CD1 3.97Å
459	K	97.4	Very high	96.5	Very high	107 Å²	107	59.2 Å²	59.2	47%	0.465	27%	0.271	S	S	.	.	H	α-helix	trans	-70.3	-27.4	176.9	-168.3	169.2	-168.9	173.7	0	114.6	F444 Y455 H457	F444-K459 HydrophobicContact CZ-CB 4.06Å; Y455-K459 HydrophobicContact CE1-CD 3.87Å; Y455-K459 WeakPolarHBondContact O-CB 3.3Å; Y455-K459 PolarHBondContact O-N 3.36Å; Y455-K459 VanDerWaalsContact O-N 3.11Å; Y455-K459 WeakPolarHBondContact OH-CD 3.42Å; Y455-K459 PolarHBondContact OH-NZ 3.17Å; H457-K459 PolarHBondContact O-N 3Å
460	K	96.9	Very high	96.5	Very high	134 Å²	134	51.6 Å²	51.6	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-64	-47.5	171	174.6	-168.4	166.4	-163.3	0	109.3	R456 H457 L458	R456-K460 WeakPolarHBondContact O-CB 3.17Å; R456-K460 PolarHBondContact O-N 3.34Å; H457-K460 VanDerWaalsContact O-CB 3.31Å; H457-K460 WeakPolarHBondContact O-CB 3.21Å; H457-K460 PolarHBondContact O-N 3.47Å; L458-K460 PolarHBondContact O-N 3.37Å
461	F	96.6	Very high	96.4	Very high	31 Å²	31	51.8 Å²	51.8	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-91.4	3.8	-174.3	-63.2	-67.3	0	0	0	115.8	H457 L458 I463 Q523 M525	H457-F461 AromaticContact CE1-CE2 3.48Å; H457-F461 VanDerWaalsContact CE1-CE2 3.48Å; H457-F461 WeakPolarHBondContact CE1-CE2 3.48Å; H457-F461 AromaticContact ND1-CE2 3.84Å; H457-F461 AromaticContact NE2-CD2 3.89Å; H457-F461 AromaticContact NE2-CE2 3.68Å; H457-F461 WeakPolarHBondContact O-CD2 3.37Å; H457-F461 PolarHBondContact O-N 2.78Å; L458-F461 CarbonylContact O-C 3.56Å; L458-F461 PolarHBondContact O-N 3.34Å; F461-I463 HydrophobicContact CB-CD1 4.03Å; F461-I463 HydrophobicContact CB-CG1 4.13Å; F461-I463 PolarHBondContact O-N 3.05Å; F461-Q523 VanDerWaalsContact CE1-O 3.31Å; F461-Q523 WeakPolarHBondContact CE1-O 3.4Å; F461-Q523 WeakPolarHBondContact CZ-O 3.37Å; F461-M525 HydrophobicContact CB-CB 4.26Å
462	K	96.4	Very high	96.4	Very high	153 Å²	153	51.8 Å²	51.8	67%	0.665	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	31.2	179.9	-49.9	-58.4	-175.3	177.7	0	113.9	L458 D464	L458-K462 PolarHBondContact O-N 3.07Å; K462-D464 PolarHBondContact O-N 2.94Å; K462-D464 VanDerWaalsContact O-N 3.15Å
463	I	96.8	Very high	96.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.217	C	C	.	.			trans	-82.3	95.8	175.7	-62.2	168.9	0	0	0	107.9	L458 F461 Y468 M525 T528 M529 L532	L458-I463 HydrophobicContact CB-CB 4.39Å; L458-I463 HydrophobicContact CD2-CB 3.88Å; L458-I463 HydrophobicContact CD2-CD1 4.08Å; L458-I463 HydrophobicContact CD2-CG2 3.82Å; L458-I463 PolarHBondContact O-N 2.93Å; F461-I463 HydrophobicContact CB-CD1 4.03Å; F461-I463 HydrophobicContact CB-CG1 4.13Å; F461-I463 PolarHBondContact O-N 3.05Å; I463-Y468 HydrophobicContact CG2-CD1 3.99Å; I463-Y468 HydrophobicContact CG2-CE1 3.94Å; I463-M525 HydrophobicContact CD1-CG 4.04Å; I463-M525 HydrophobicContact CG1-CG 3.81Å; I463-T528 HydrophobicContact CD1-CG2 3.43Å; I463-T528 VanDerWaalsContact CD1-CG2 3.43Å; I463-M529 HydrophobicContact CB-SD 4.43Å; I463-M529 HydrophobicContact CD1-CG 4.17Å; I463-M529 HydrophobicContact CD1-SD 4.18Å; I463-M529 HydrophobicContact CG1-CG 4.39Å; I463-M529 HydrophobicContact CG1-SD 4.14Å; I463-M529 HydrophobicContact CG2-SD 3.45Å; I463-M529 WeakPolarHBondContact CG2-SD 3.36Å; I463-L532 HydrophobicContact CG2-CD1 4.12Å
464	D	95.2	Very high	96.5	Very high	93 Å²	93	44.7 Å²	44.7	50%	0.497	20%	0.199	S	C	.	.			trans	-74.6	146.2	177.8	-71	-32.2	0	0	0	111.1	K462 I466 L467	K462-D464 PolarHBondContact O-N 2.94Å; K462-D464 VanDerWaalsContact O-N 3.15Å; D464-I466 HydrophobicContact CB-CG2 4.4Å; D464-I466 PolarHBondContact O-N 3.24Å; D464-I466 VanDerWaalsContact O-N 3.11Å; D464-L467 WeakPolarHBondContact O-CB 3.19Å; D464-L467 WeakPolarHBondContact O-CG 3.31Å; D464-L467 PolarHBondContact O-N 2.76Å; D464-L467 VanDerWaalsContact O-N 3.07Å
465	P	96.1	Very high	96.5	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.058	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.9	-171.1	-27.9	35.1	0	0	0	115.3	G440 F443 F444 L467 Y468 M469	G440-P465 WeakPolarHBondContact O-CG 3.5Å; F443-P465 HydrophobicContact CD1-CB 4.45Å; F444-P465 HydrophobicContact CB-CG 3.69Å; F444-P465 HydrophobicContact CD1-CG 4.5Å; F444-P465 HydrophobicContact CD2-CG 4.2Å; F444-P465 HydrophobicContact CG-CG 3.94Å; P465-L467 PolarHBondContact O-N 3.11Å; P465-Y468 PolarHBondContact O-N 2.95Å; P465-M469 HydrophobicContact CB-CG 4.33Å; P465-M469 HydrophobicContact CB-SD 3.37Å; P465-M469 WeakPolarHBondContact CB-SD 3.29Å; P465-M469 WeakPolarHBondContact O-CB 3.07Å; P465-M469 WeakPolarHBondContact O-CG 3.31Å; P465-M469 PolarHBondContact O-N 3.22Å
466	I	94.4	Very high	96.5	Very high	43 Å²	43	43.6 Å²	43.6	22%	0.221	20%	0.195	C	C	.	.	H	α-helix	trans	-55.6	-23.6	-179.8	-161	73.1	0	0	0	113.2	I436 Q437 D464 Y468 T470	I436-I466 HydrophobicContact CB-CD1 4.48Å; I436-I466 HydrophobicContact CG2-CD1 3.75Å; Q437-I466 HydrophobicContact CG-CD1 3.98Å; D464-I466 HydrophobicContact CB-CG2 4.4Å; D464-I466 PolarHBondContact O-N 3.24Å; D464-I466 VanDerWaalsContact O-N 3.11Å; I466-Y468 VanDerWaalsContact C-N 3.28Å; I466-Y468 PolarHBondContact O-N 3.09Å; I466-T470 VanDerWaalsContact CD1-OG1 3.31Å; I466-T470 WeakPolarHBondContact CD1-OG1 3.49Å; I466-T470 PolarHBondContact O-OG1 3.07Å
467	L	94.3	Very high	96.5	Very high	60 Å²	60	34.4 Å²	34.4	31%	0.314	16%	0.16	S	C	.	.	H	α-helix	trans	-76.5	-10.1	-177.1	-59.8	175.8	0	0	0	114.5	Y215 D464 P465 M529	Y215-L467 HydrophobicContact CE2-CD2 4.16Å; Y215-L467 WeakPolarHBondContact OH-CA 3.41Å; Y215-L467 PolarHBondContact OH-O 3.03Å; Y215-L467 VanDerWaalsContact OH-O 3.12Å; D464-L467 WeakPolarHBondContact O-CB 3.19Å; D464-L467 WeakPolarHBondContact O-CG 3.31Å; D464-L467 PolarHBondContact O-N 2.76Å; D464-L467 VanDerWaalsContact O-N 3.07Å; P465-L467 PolarHBondContact O-N 3.11Å; L467-M529 HydrophobicContact CB-CE 3.96Å; L467-M529 HydrophobicContact CB-SD 4.35Å; L467-M529 WeakPolarHBondContact O-CE 3.45Å
468	Y	94.6	Very high	96.4	Very high	15 Å²	15	34 Å²	34	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-142.7	-31.8	180	59.9	-91	0	0	0	113.4	F443 L458 I463 P465 I466 T470 W472 L509 L532	F443-Y468 AromaticContact CE1-CE2 3.86Å; F443-Y468 HydrophobicContact CE1-CE2 3.86Å; L458-Y468 HydrophobicContact CD1-CE1 4.43Å; I463-Y468 HydrophobicContact CG2-CD1 3.99Å; I463-Y468 HydrophobicContact CG2-CE1 3.94Å; P465-Y468 PolarHBondContact O-N 2.95Å; I466-Y468 VanDerWaalsContact C-N 3.28Å; I466-Y468 PolarHBondContact O-N 3.09Å; Y468-T470 PolarHBondContact O-N 3.11Å; Y468-W472 HydrophobicContact CD2-CE3 4.17Å; Y468-W472 AromaticContact CD2-CH2 3.61Å; Y468-W472 HydrophobicContact CD2-CH2 3.61Å; Y468-W472 HydrophobicContact CD2-CZ2 4.09Å; Y468-W472 AromaticContact CD2-CZ3 3.67Å; Y468-W472 HydrophobicContact CD2-CZ3 3.67Å; Y468-W472 HydrophobicContact CE2-CH2 4.17Å; Y468-W472 AromaticContact CE2-CZ3 3.94Å; Y468-W472 HydrophobicContact CE2-CZ3 3.94Å; Y468-W472 PolarHBondContact O-NE1 3.35Å; Y468-L509 HydrophobicContact CE2-CD1 3.99Å; Y468-L509 HydrophobicContact CE2-CD2 3.96Å; Y468-L509 HydrophobicContact CE2-CG 4.34Å; Y468-L532 HydrophobicContact CD1-CD1 3.82Å; Y468-L532 HydrophobicContact CE1-CD1 4.27Å; Y468-L532 HydrophobicContact CG-CD1 4.08Å
469	M	95.3	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-78.7	-17.3	-175.2	82.4	-174.7	-81.3	0	0	114.5	D439 G440 F443 P465 W472 F473	D439-M469 HydrophobicContact CB-CE 4.45Å; G440-M469 WeakPolarHBondContact CA-SD 3.4Å; F443-M469 HydrophobicContact CB-CE 4.06Å; F443-M469 HydrophobicContact CD1-CE 4.49Å; F443-M469 HydrophobicContact CD1-SD 4.31Å; F443-M469 HydrophobicContact CG-CE 4.29Å; P465-M469 HydrophobicContact CB-CG 4.33Å; P465-M469 HydrophobicContact CB-SD 3.37Å; P465-M469 WeakPolarHBondContact CB-SD 3.29Å; P465-M469 WeakPolarHBondContact O-CB 3.07Å; P465-M469 WeakPolarHBondContact O-CG 3.31Å; P465-M469 PolarHBondContact O-N 3.22Å; M469-W472 WeakPolarHBondContact O-CB 3.43Å; M469-W472 PolarHBondContact O-N 3.15Å; M469-F473 HydrophobicContact CB-CD1 4.13Å; M469-F473 HydrophobicContact CB-CE1 4.32Å; M469-F473 HydrophobicContact CE-CD1 3.96Å; M469-F473 HydrophobicContact CE-CD2 3.4Å; M469-F473 HydrophobicContact CE-CE1 3.91Å; M469-F473 HydrophobicContact CE-CE2 3.33Å; M469-F473 HydrophobicContact CE-CG 3.74Å; M469-F473 HydrophobicContact CE-CZ 3.61Å; M469-F473 WeakPolarHBondContact O-CB 3.28Å; M469-F473 WeakPolarHBondContact O-CD1 3.35Å; M469-F473 PolarHBondContact O-N 3.2Å
470	T	95.7	Very high	95.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-51.2	-166.8	-59.7	0	0	0	0	110.9	L216 I436 I466 Y468 F473 M474	L216-T470 HydrophobicContact CD2-CG2 3.55Å; I436-T470 HydrophobicContact CG2-CG2 4.3Å; I466-T470 VanDerWaalsContact CD1-OG1 3.31Å; I466-T470 WeakPolarHBondContact CD1-OG1 3.49Å; I466-T470 PolarHBondContact O-OG1 3.07Å; Y468-T470 PolarHBondContact O-N 3.11Å; T470-F473 PolarHBondContact O-N 2.94Å; T470-M474 HydrophobicContact CG2-SD 3.56Å; T470-M474 VanDerWaalsContact CG2-SD 3.56Å; T470-M474 VanDerWaalsContact O-CB 3.3Å; T470-M474 WeakPolarHBondContact O-CB 3.34Å; T470-M474 VanDerWaalsContact O-CG 3.25Å; T470-M474 WeakPolarHBondContact O-CG 3.49Å; T470-M474 PolarHBondContact O-N 3.17Å
471	E	95.3	Very high	95.7	Very high	48 Å²	48	28.2 Å²	28.2	22%	0.224	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-53.3	170.2	173.7	-178.9	119.4	0	0	111.8	F473 M474 C475 R479 T480	E471-F473 PolarHBondContact O-N 3.2Å; E471-F473 VanDerWaalsContact O-N 3.17Å; E471-M474 PolarHBondContact O-N 3.2Å; E471-C475 VanDerWaalsContact O-CB 3.26Å; E471-C475 WeakPolarHBondContact O-CB 3.24Å; E471-C475 PolarHBondContact O-N 2.74Å; E471-R479 VanDerWaalsContact CD-CZ 3.49Å; E471-R479 VanDerWaalsContact CD-NH2 3.35Å; E471-R479 IonicContact OE1-NH1 3.15Å; E471-R479 IonicContact OE2-CZ 3.84Å; E471-R479 IonicContact OE2-NH1 2.72Å; E471-R479 PolarHBondContact OE2-NH1 3.37Å; E471-R479 IonicContact OE2-NH2 2.68Å; E471-R479 PolarHBondContact OE2-NH2 2.81Å; E471-T480 PolarHBondContact OE1-OG1 3.39Å
472	W	97.5	Very high	95.5	Very high	8 Å²	8	28.9 Å²	28.9	3%	0.03	14%	0.142	C	C	.	.	H	α-helix	trans	-51.8	-42.1	-177.1	-65	3.7	0	0	0	112.3	Y468 M469 I476 F477 T480 L508 L509 M512 L532 I535	Y468-W472 HydrophobicContact CD2-CE3 4.17Å; Y468-W472 AromaticContact CD2-CH2 3.61Å; Y468-W472 HydrophobicContact CD2-CH2 3.61Å; Y468-W472 HydrophobicContact CD2-CZ2 4.09Å; Y468-W472 AromaticContact CD2-CZ3 3.67Å; Y468-W472 HydrophobicContact CD2-CZ3 3.67Å; Y468-W472 HydrophobicContact CE2-CH2 4.17Å; Y468-W472 AromaticContact CE2-CZ3 3.94Å; Y468-W472 HydrophobicContact CE2-CZ3 3.94Å; Y468-W472 PolarHBondContact O-NE1 3.35Å; M469-W472 WeakPolarHBondContact O-CB 3.43Å; M469-W472 PolarHBondContact O-N 3.15Å; W472-I476 PolarHBondContact O-N 3.18Å; W472-F477 HydrophobicContact CB-CD1 3.86Å; W472-F477 HydrophobicContact CB-CE1 3.47Å; W472-F477 VanDerWaalsContact CB-CE1 3.47Å; W472-F477 HydrophobicContact CB-CZ 3.93Å; W472-F477 HydrophobicContact CD2-CE1 4.04Å; W472-F477 HydrophobicContact CE3-CE1 4.06Å; W472-F477 HydrophobicContact CG-CD1 4.15Å; W472-F477 AromaticContact CG-CE1 3.82Å; W472-F477 HydrophobicContact CG-CE1 3.82Å; W472-F477 WeakPolarHBondContact O-CD2 3.4Å; W472-F477 PolarHBondContact O-N 3.38Å; W472-T480 VanDerWaalsContact CD1-CG2 3.49Å; W472-T480 HydrophobicContact CG-CG2 4.37Å; W472-L508 HydrophobicContact CD2-CD1 4.39Å; W472-L508 HydrophobicContact CE3-CD1 4.3Å; W472-L508 HydrophobicContact CH2-CB 4.25Å; W472-L508 HydrophobicContact CH2-CD1 4.44Å; W472-L508 HydrophobicContact CZ3-CB 4.3Å; W472-L508 HydrophobicContact CZ3-CD1 4.33Å; W472-L509 HydrophobicContact CH2-CD2 4.08Å; W472-L509 HydrophobicContact CZ3-CD2 4.38Å; W472-L509 HydrophobicContact CZ3-CG 4.37Å; W472-M512 HydrophobicContact CH2-CE 3.74Å; W472-M512 HydrophobicContact CZ2-CE 4.08Å; W472-L532 HydrophobicContact CH2-CD2 4.39Å; W472-I535 HydrophobicContact CZ2-CD1 4.02Å
473	F	98.1	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-86	-41.1	-175.1	-83	46.6	0	0	0	112.2	Y428 F443 M469 T470 E471 F477 I501 F502	Y428-F473 HydrophobicContact CE2-CB 4.14Å; F443-F473 HydrophobicContact CB-CZ 4.48Å; F443-F473 HydrophobicContact CD2-CE1 4.25Å; F443-F473 AromaticContact CD2-CZ 3.62Å; F443-F473 HydrophobicContact CD2-CZ 3.62Å; F443-F473 HydrophobicContact CE2-CE1 4.2Å; F443-F473 AromaticContact CE2-CZ 4Å; F443-F473 HydrophobicContact CE2-CZ 4Å; F443-F473 HydrophobicContact CG-CZ 4.15Å; M469-F473 HydrophobicContact CB-CD1 4.13Å; M469-F473 HydrophobicContact CB-CE1 4.32Å; M469-F473 HydrophobicContact CE-CD1 3.96Å; M469-F473 HydrophobicContact CE-CD2 3.4Å; M469-F473 HydrophobicContact CE-CE1 3.91Å; M469-F473 HydrophobicContact CE-CE2 3.33Å; M469-F473 HydrophobicContact CE-CG 3.74Å; M469-F473 HydrophobicContact CE-CZ 3.61Å; M469-F473 WeakPolarHBondContact O-CB 3.28Å; M469-F473 WeakPolarHBondContact O-CD1 3.35Å; M469-F473 PolarHBondContact O-N 3.2Å; T470-F473 PolarHBondContact O-N 2.94Å; E471-F473 PolarHBondContact O-N 3.2Å; E471-F473 VanDerWaalsContact O-N 3.17Å; F473-F477 HydrophobicContact CD1-CZ 4.36Å; F473-F477 HydrophobicContact CE1-CZ 4.31Å; F473-I501 HydrophobicContact CB-CG2 4.05Å; F473-I501 HydrophobicContact CD1-CG2 3.54Å; F473-I501 HydrophobicContact CD2-CG2 3.55Å; F473-I501 HydrophobicContact CE1-CG2 3.76Å; F473-I501 HydrophobicContact CE2-CG2 3.76Å; F473-I501 HydrophobicContact CG-CG2 3.42Å; F473-I501 VanDerWaalsContact CG-CG2 3.42Å; F473-I501 HydrophobicContact CZ-CG2 3.85Å; F473-F502 HydrophobicContact CE2-CD1 4.03Å; F473-F502 HydrophobicContact CE2-CD2 4.46Å; F473-F502 AromaticContact CE2-CE1 3.97Å; F473-F502 HydrophobicContact CE2-CE1 3.97Å; F473-F502 HydrophobicContact CE2-CE2 4.4Å; F473-F502 HydrophobicContact CE2-CG 4.29Å; F473-F502 HydrophobicContact CE2-CZ 4.17Å; F473-F502 HydrophobicContact CZ-CD1 4.14Å; F473-F502 HydrophobicContact CZ-CE1 4.46Å; F473-F502 HydrophobicContact CZ-CG 4.4Å
474	M	97.3	Very high	95.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-76.8	-36.9	-178.2	-64.5	175.4	72.5	0	0	112.8	L216 C394 A396 Y428 Y429 L433 I436 T470 E471 I476	L216-M474 HydrophobicContact CD1-CE 4.27Å; L216-M474 HydrophobicContact CD2-SD 4.28Å; C394-M474 WeakPolarHBondContact SG-CE 3.48Å; A396-M474 HydrophobicContact CB-CB 3.55Å; A396-M474 HydrophobicContact CB-CE 3.91Å; Y428-M474 HydrophobicContact CD2-CG 4.4Å; Y428-M474 WeakPolarHBondContact O-CE 3.27Å; Y429-M474 HydrophobicContact CD1-CE 4.13Å; Y429-M474 HydrophobicContact CE1-CB 4.33Å; Y429-M474 PolarHBondContact OH-O 2.75Å; L433-M474 HydrophobicContact CD2-CE 3.73Å; L433-M474 HydrophobicContact CD2-SD 4.22Å; I436-M474 HydrophobicContact CD1-CG 3.43Å; I436-M474 VanDerWaalsContact CD1-CG 3.43Å; I436-M474 HydrophobicContact CD1-SD 4.16Å; I436-M474 HydrophobicContact CG1-CG 3.88Å; I436-M474 HydrophobicContact CG1-SD 3.91Å; T470-M474 HydrophobicContact CG2-SD 3.56Å; T470-M474 VanDerWaalsContact CG2-SD 3.56Å; T470-M474 VanDerWaalsContact O-CB 3.3Å; T470-M474 WeakPolarHBondContact O-CB 3.34Å; T470-M474 VanDerWaalsContact O-CG 3.25Å; T470-M474 WeakPolarHBondContact O-CG 3.49Å; T470-M474 PolarHBondContact O-N 3.17Å; E471-M474 PolarHBondContact O-N 3.2Å; M474-I476 VanDerWaalsContact C-N 3.32Å
475	C	97.7	Very high	95.1	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.1	177.1	-54.8	0	0	0	0	112.7	P399 E471 F477 S478 R479	P399-C475 HydrophobicContact CG-CB 4.23Å; E471-C475 VanDerWaalsContact O-CB 3.26Å; E471-C475 WeakPolarHBondContact O-CB 3.24Å; E471-C475 PolarHBondContact O-N 2.74Å; C475-F477 VanDerWaalsContact C-N 3.25Å; C475-F477 PolarHBondContact O-N 3.18Å; C475-S478 VanDerWaalsContact O-CB 3.28Å; C475-S478 WeakPolarHBondContact O-CB 3.36Å; C475-S478 PolarHBondContact O-N 3.37Å; C475-S478 PolarHBondContact O-OG 3.19Å; C475-R479 HydrophobicContact CB-CG 4.49Å
476	I	98	Very high	95.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	47.1	-176.6	-40.7	177.7	0	0	0	110.9	V400 I420 L425 W472 M474 S478 W490 F493 I501	V400-I476 HydrophobicContact CG1-CD1 4.31Å; V400-I476 HydrophobicContact CG2-CD1 4.41Å; V400-I476 HydrophobicContact CG2-CG1 4.3Å; I420-I476 HydrophobicContact CD1-CD1 4.21Å; I420-I476 HydrophobicContact CG2-CD1 3.93Å; L425-I476 HydrophobicContact CD1-CD1 3.95Å; L425-I476 HydrophobicContact CD1-CG1 4.05Å; W472-I476 PolarHBondContact O-N 3.18Å; M474-I476 VanDerWaalsContact C-N 3.32Å; I476-S478 PolarHBondContact O-N 3.39Å; I476-W490 HydrophobicContact CB-CZ2 3.96Å; I476-W490 HydrophobicContact CD1-CH2 4.32Å; I476-W490 HydrophobicContact CD1-CZ2 4Å; I476-W490 HydrophobicContact CG1-CZ2 4.38Å; I476-W490 HydrophobicContact CG2-CZ2 4.5Å; I476-W490 PolarHBondContact O-NE1 3.23Å; I476-F493 HydrophobicContact CD1-CD1 4.33Å; I476-F493 HydrophobicContact CD1-CE1 3.71Å; I476-F493 HydrophobicContact CD1-CZ 3.9Å; I476-F493 HydrophobicContact CG2-CD1 4.33Å; I476-F493 HydrophobicContact CG2-CG 4.29Å; I476-I501 HydrophobicContact CG1-CD1 4.31Å; I476-I501 HydrophobicContact CG2-CD1 4.05Å; I476-I501 HydrophobicContact CG2-CG1 4.25Å
477	F	97.6	Very high	95.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	8	-176.6	-57.3	-91.3	0	0	0	117.1	W472 F473 C475 R479 T480 L481 V489 I501 V504 L508	W472-F477 HydrophobicContact CB-CD1 3.86Å; W472-F477 HydrophobicContact CB-CE1 3.47Å; W472-F477 VanDerWaalsContact CB-CE1 3.47Å; W472-F477 HydrophobicContact CB-CZ 3.93Å; W472-F477 HydrophobicContact CD2-CE1 4.04Å; W472-F477 HydrophobicContact CE3-CE1 4.06Å; W472-F477 HydrophobicContact CG-CD1 4.15Å; W472-F477 AromaticContact CG-CE1 3.82Å; W472-F477 HydrophobicContact CG-CE1 3.82Å; W472-F477 WeakPolarHBondContact O-CD2 3.4Å; W472-F477 PolarHBondContact O-N 3.38Å; F473-F477 HydrophobicContact CD1-CZ 4.36Å; F473-F477 HydrophobicContact CE1-CZ 4.31Å; C475-F477 VanDerWaalsContact C-N 3.25Å; C475-F477 PolarHBondContact O-N 3.18Å; F477-R479 PolarHBondContact O-N 3.36Å; F477-T480 PolarHBondContact O-N 3.24Å; F477-L481 HydrophobicContact CB-CD1 3.55Å; F477-L481 HydrophobicContact CB-CG 3.9Å; F477-L481 HydrophobicContact CD1-CD1 4.37Å; F477-L481 HydrophobicContact CG-CD1 4.07Å; F477-L481 PolarHBondContact O-N 3.5Å; F477-L481 VanDerWaalsContact O-N 3.14Å; F477-V489 HydrophobicContact CD2-CG1 4.26Å; F477-I501 HydrophobicContact CE2-CB 4.24Å; F477-I501 HydrophobicContact CE2-CG2 3.8Å; F477-I501 HydrophobicContact CZ-CG2 4.37Å; F477-V504 HydrophobicContact CD1-CG1 3.67Å; F477-V504 HydrophobicContact CD2-CB 4.14Å; F477-V504 HydrophobicContact CD2-CG1 3.86Å; F477-V504 HydrophobicContact CD2-CG2 4.45Å; F477-V504 HydrophobicContact CE1-CB 4.09Å; F477-V504 HydrophobicContact CE1-CG1 3.45Å; F477-V504 VanDerWaalsContact CE1-CG1 3.45Å; F477-V504 HydrophobicContact CE2-CB 3.59Å; F477-V504 HydrophobicContact CE2-CG1 3.67Å; F477-V504 HydrophobicContact CE2-CG2 4.2Å; F477-V504 HydrophobicContact CG-CG1 3.87Å; F477-V504 HydrophobicContact CZ-CB 3.57Å; F477-V504 HydrophobicContact CZ-CG1 3.48Å; F477-V504 VanDerWaalsContact CZ-CG1 3.48Å; F477-L508 HydrophobicContact CD1-CD1 3.92Å; F477-L508 HydrophobicContact CE1-CD1 3.61Å
478	S	95.9	Very high	95.4	Very high	6 Å²	6	13.1 Å²	13.1	4%	0.042	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.2	-174.6	62.2	0	0	0	0	114.9	P399 C475 I476	P399-S478 PolarHBondContact O-OG 2.92Å; C475-S478 VanDerWaalsContact O-CB 3.28Å; C475-S478 WeakPolarHBondContact O-CB 3.36Å; C475-S478 PolarHBondContact O-N 3.37Å; C475-S478 PolarHBondContact O-OG 3.19Å; I476-S478 PolarHBondContact O-N 3.39Å
479	R	92.3	Very high	95.6	Very high	80 Å²	80	12.4 Å²	12.4	30%	0.302	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.7	173.1	-56.3	-155.9	-68.6	89.6	-3	114.3	P399 E471 C475 F477	P399-R479 HydrophobicContact CB-CG 3.95Å; P399-R479 HydrophobicContact CG-CG 4.42Å; E471-R479 VanDerWaalsContact CD-CZ 3.49Å; E471-R479 VanDerWaalsContact CD-NH2 3.35Å; E471-R479 IonicContact OE1-NH1 3.15Å; E471-R479 IonicContact OE2-CZ 3.84Å; E471-R479 IonicContact OE2-NH1 2.72Å; E471-R479 PolarHBondContact OE2-NH1 3.37Å; E471-R479 IonicContact OE2-NH2 2.68Å; E471-R479 PolarHBondContact OE2-NH2 2.81Å; C475-R479 HydrophobicContact CB-CG 4.49Å; F477-R479 PolarHBondContact O-N 3.36Å
480	T	91.8	Very high	95.7	Very high	25 Å²	25	12.4 Å²	12.4	15%	0.153	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-22.9	-166.6	-42.4	0	0	0	0	113.8	E471 W472 F477 I535	E471-T480 PolarHBondContact OE1-OG1 3.39Å; W472-T480 VanDerWaalsContact CD1-CG2 3.49Å; W472-T480 HydrophobicContact CG-CG2 4.37Å; F477-T480 PolarHBondContact O-N 3.24Å; T480-I535 HydrophobicContact CG2-CD1 3.93Å
481	L	93.6	Very high	95.9	Very high	15 Å²	15	12.2 Å²	12.2	8%	0.079	6%	0.06	C	C	.	.	S	Bend	trans	-115.5	154.4	-176.5	-66.5	174.2	0	0	0	111.8	F477 V486 V489 V504 L508 I540 L545	F477-L481 HydrophobicContact CB-CD1 3.55Å; F477-L481 HydrophobicContact CB-CG 3.9Å; F477-L481 HydrophobicContact CD1-CD1 4.37Å; F477-L481 HydrophobicContact CG-CD1 4.07Å; F477-L481 PolarHBondContact O-N 3.5Å; F477-L481 VanDerWaalsContact O-N 3.14Å; L481-V486 HydrophobicContact CB-CG2 3.81Å; L481-V486 WeakPolarHBondContact O-CG2 3.33Å; L481-V489 HydrophobicContact CD1-CG2 3.86Å; L481-V504 HydrophobicContact CD1-CG1 4.2Å; L481-L508 HydrophobicContact CD2-CD2 4.22Å; L481-I540 HydrophobicContact CD2-CB 3.79Å; L481-I540 HydrophobicContact CD2-CG2 3.79Å; L481-L545 HydrophobicContact CD1-CD2 3.94Å; L481-L545 HydrophobicContact CD2-CD2 3.78Å; L481-L545 HydrophobicContact CG-CD2 4.49Å
482	P	91.6	Very high	96	Very high	44 Å²	44	10 Å²	10	29%	0.286	5%	0.05	S	C	.	.			trans	-54.8	147.1	165.9	-23.3	33.4	0	0	0	110.9	S484 S485 V486 I540	P482-S484 PolarHBondContact O-N 2.9Å; P482-S485 CarbonylContact O-C 3.58Å; P482-S485 WeakPolarHBondContact O-CA 3.49Å; P482-S485 VanDerWaalsContact O-CB 3.29Å; P482-S485 WeakPolarHBondContact O-CB 3.26Å; P482-S485 PolarHBondContact O-N 3.06Å; P482-V486 PolarHBondContact O-N 2.91Å; P482-I540 HydrophobicContact CG-CD1 4.23Å; P482-I540 HydrophobicContact CG-CG1 3.96Å
483	W	92.4	Very high	96	Very high	12 Å²	12	9.6 Å²	9.6	5%	0.045	5%	0.048	C	C	.	.	H	α-helix	trans	-61.5	-40.6	-166.6	-173.8	-111.1	0	0	0	113.6	Y256 F258 F360 V403 M406 H407 S485 V486 L487	Y256-W483 AromaticContact CD1-CD1 3.52Å; Y256-W483 AromaticContact CD1-NE1 3.74Å; Y256-W483 AromaticContact CD2-CD1 3.58Å; Y256-W483 HydrophobicContact CD2-CG 4.43Å; Y256-W483 AromaticContact CE1-CD1 3.94Å; Y256-W483 AromaticContact CE2-CD1 3.98Å; Y256-W483 AromaticContact CG-CD1 3.31Å; Y256-W483 HydrophobicContact CG-CG 4.44Å; Y256-W483 AromaticContact CG-NE1 3.82Å; F258-W483 HydrophobicContact CE2-CB 4.27Å; F258-W483 AromaticContact CE2-CD1 3.99Å; F258-W483 AromaticContact CE2-CD2 3.7Å; F258-W483 HydrophobicContact CE2-CD2 3.7Å; F258-W483 AromaticContact CE2-CE2 3.93Å; F258-W483 HydrophobicContact CE2-CE3 4.17Å; F258-W483 AromaticContact CE2-CG 3.74Å; F258-W483 HydrophobicContact CE2-CG 3.74Å; F258-W483 HydrophobicContact CZ-CD2 4.01Å; F258-W483 AromaticContact CZ-CE3 3.99Å; F258-W483 HydrophobicContact CZ-CE3 3.99Å; F258-W483 HydrophobicContact CZ-CG 4.39Å; F258-W483 HydrophobicContact CZ-CZ3 4.37Å; F360-W483 HydrophobicContact CE1-CE3 4.41Å; F360-W483 AromaticContact CE1-CZ3 3.85Å; F360-W483 HydrophobicContact CE1-CZ3 3.85Å; F360-W483 HydrophobicContact CZ-CZ3 4.06Å; V403-W483 HydrophobicContact CB-CH2 4.2Å; V403-W483 HydrophobicContact CG1-CH2 4.04Å; V403-W483 HydrophobicContact CG2-CH2 3.76Å; V403-W483 HydrophobicContact CG2-CZ3 3.86Å; M406-W483 HydrophobicContact CE-CH2 4.27Å; M406-W483 HydrophobicContact SD-CH2 3.23Å; M406-W483 WeakPolarHBondContact SD-CH2 3.49Å; M406-W483 HydrophobicContact SD-CZ2 3.35Å; M406-W483 WeakPolarHBondContact SD-CZ2 3.4Å; M406-W483 HydrophobicContact SD-CZ3 4.19Å; H407-W483 AromaticContact CE1-CZ2 3.94Å; W483-S485 VanDerWaalsContact C-N 3.32Å; W483-S485 PolarHBondContact O-N 2.93Å; W483-V486 HydrophobicContact CE3-CB 4.21Å; W483-V486 HydrophobicContact CE3-CG1 4.32Å; W483-V486 HydrophobicContact CE3-CG2 4.38Å; W483-V486 HydrophobicContact CZ3-CG1 4.22Å; W483-V486 WeakPolarHBondContact O-CB 3.24Å; W483-V486 PolarHBondContact O-N 3.01Å; W483-V486 VanDerWaalsContact O-N 3.09Å; W483-L487 HydrophobicContact CZ2-CD2 4.08Å; W483-L487 VanDerWaalsContact O-CG 3.32Å; W483-L487 WeakPolarHBondContact O-CG 3.33Å; W483-L487 PolarHBondContact O-N 3.32Å
484	S	92.1	Very high	96.1	Very high	7 Å²	7	9.6 Å²	9.6	5%	0.049	5%	0.048	C	C	.	.	H	α-helix	trans	-54	-47.8	172.2	51.9	0	0	0	0	111.7	Y256 E269 P482 V486 L487 R488	Y256-S484 WeakPolarHBondContact OH-CB 3.28Å; E269-S484 WeakPolarHBondContact OE1-CB 3.49Å; P482-S484 PolarHBondContact O-N 2.9Å; S484-V486 PolarHBondContact O-N 3.09Å; S484-L487 PolarHBondContact O-N 2.8Å; S484-R488 WeakPolarHBondContact O-CG 3.42Å; S484-R488 PolarHBondContact O-N 3.41Å; S484-R488 VanDerWaalsContact O-N 3.17Å
485	S	95.4	Very high	96.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-61.4	-39.8	173.7	-77.4	0	0	0	0	113.9	P482 W483 R488 V489 I540 E542	P482-S485 CarbonylContact O-C 3.58Å; P482-S485 WeakPolarHBondContact O-CA 3.49Å; P482-S485 VanDerWaalsContact O-CB 3.29Å; P482-S485 WeakPolarHBondContact O-CB 3.26Å; P482-S485 PolarHBondContact O-N 3.06Å; W483-S485 VanDerWaalsContact C-N 3.32Å; W483-S485 PolarHBondContact O-N 2.93Å; S485-R488 PolarHBondContact O-N 3.43Å; S485-V489 WeakPolarHBondContact O-CG2 3.36Å; S485-V489 PolarHBondContact O-N 2.76Å; S485-I540 PolarHBondContact OG-O 2.94Å; S485-E542 VanDerWaalsContact OG-CA 3.3Å; S485-E542 WeakPolarHBondContact OG-CA 3.42Å; S485-E542 PolarHBondContact OG-N 3.3Å
486	V	96.8	Very high	96.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.9	-52.6	174.1	177.4	0	0	0	0	110.1	L481 P482 W483 S484 R488 V489 W490	L481-V486 HydrophobicContact CB-CG2 3.81Å; L481-V486 WeakPolarHBondContact O-CG2 3.33Å; P482-V486 PolarHBondContact O-N 2.91Å; W483-V486 HydrophobicContact CE3-CB 4.21Å; W483-V486 HydrophobicContact CE3-CG1 4.32Å; W483-V486 HydrophobicContact CE3-CG2 4.38Å; W483-V486 HydrophobicContact CZ3-CG1 4.22Å; W483-V486 WeakPolarHBondContact O-CB 3.24Å; W483-V486 PolarHBondContact O-N 3.01Å; W483-V486 VanDerWaalsContact O-N 3.09Å; S484-V486 PolarHBondContact O-N 3.09Å; V486-R488 PolarHBondContact O-N 3.24Å; V486-V489 WeakPolarHBondContact O-CB 3.41Å; V486-V489 PolarHBondContact O-N 2.97Å; V486-V489 VanDerWaalsContact O-N 3.08Å; V486-W490 PolarHBondContact O-N 3.3Å
487	L	96.8	Very high	95.9	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-56.2	-39	-180	-63	170.6	0	0	0	112.1	Y256 W319 H407 W483 S484 W490 D491	Y256-L487 HydrophobicContact CD1-CD1 4.04Å; Y256-L487 HydrophobicContact CE1-CD1 3.41Å; Y256-L487 VanDerWaalsContact CE1-CD1 3.41Å; W319-L487 HydrophobicContact CH2-CD2 4.41Å; H407-L487 WeakPolarHBondContact CE1-CD2 3.25Å; H407-L487 VanDerWaalsContact NE2-CD2 3.34Å; H407-L487 WeakPolarHBondContact NE2-CD2 3.34Å; W483-L487 HydrophobicContact CZ2-CD2 4.08Å; W483-L487 VanDerWaalsContact O-CG 3.32Å; W483-L487 WeakPolarHBondContact O-CG 3.33Å; W483-L487 PolarHBondContact O-N 3.32Å; S484-L487 PolarHBondContact O-N 2.8Å; L487-W490 PolarHBondContact O-N 2.7Å; L487-D491 WeakPolarHBondContact O-CB 3.14Å; L487-D491 PolarHBondContact O-N 3.03Å
488	R	97.3	Very high	95.8	Very high	6 Å²	6	9.8 Å²	9.8	2%	0.023	5%	0.049	C	C	.	.	H	α-helix	trans	-72.4	-36.6	177.4	-60.2	-51	-68.1	91.6	32.3	113.9	C306 R307 G309 S484 S485 V486 W490 D491 M492 E542 V546	C306-R488 PolarHBondContact O-NH1 2.98Å; C306-R488 PolarHBondContact O-NH2 3.39Å; R307-R488 PolarHBondContact O-NH2 2.85Å; G309-R488 VanDerWaalsContact CA-CZ 3.48Å; G309-R488 VanDerWaalsContact N-CZ 3.27Å; S484-R488 WeakPolarHBondContact O-CG 3.42Å; S484-R488 PolarHBondContact O-N 3.41Å; S484-R488 VanDerWaalsContact O-N 3.17Å; S485-R488 PolarHBondContact O-N 3.43Å; V486-R488 PolarHBondContact O-N 3.24Å; R488-W490 VanDerWaalsContact C-N 3.32Å; R488-D491 IonicContact CZ-OD2 3.32Å; R488-D491 IonicContact NH1-OD2 2.65Å; R488-D491 PolarHBondContact NH1-OD2 3.29Å; R488-M492 WeakPolarHBondContact O-CE 3.42Å; R488-M492 WeakPolarHBondContact O-CG 3.45Å; R488-M492 PolarHBondContact O-N 2.81Å; R488-E542 HydrophobicContact CB-CG 4.28Å; R488-E542 VanDerWaalsContact CD-OE1 3.26Å; R488-E542 WeakPolarHBondContact CD-OE1 3.28Å; R488-E542 HydrophobicContact CG-CG 3.32Å; R488-E542 VanDerWaalsContact CG-OE1 3.24Å; R488-E542 WeakPolarHBondContact CG-OE1 3.4Å; R488-E542 IonicContact NE-OE1 3.59Å; R488-E542 PolarHBondContact NE-OE1 2.87Å; R488-V546 HydrophobicContact CB-CG2 3.71Å; R488-V546 HydrophobicContact CG-CG2 4.15Å
489	V	98.4	Very high	95.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-62.2	-43.6	172	167.9	0	0	0	0	110	F477 L481 S485 V486 M492 F493 I500 V504 I549	F477-V489 HydrophobicContact CD2-CG1 4.26Å; L481-V489 HydrophobicContact CD1-CG2 3.86Å; S485-V489 WeakPolarHBondContact O-CG2 3.36Å; S485-V489 PolarHBondContact O-N 2.76Å; V486-V489 WeakPolarHBondContact O-CB 3.41Å; V486-V489 PolarHBondContact O-N 2.97Å; V486-V489 VanDerWaalsContact O-N 3.08Å; V489-M492 PolarHBondContact O-N 3.45Å; V489-F493 WeakPolarHBondContact O-CB 3.49Å; V489-F493 PolarHBondContact O-N 2.67Å; V489-I500 HydrophobicContact CG1-CG2 4.27Å; V489-V504 HydrophobicContact CB-CG2 4.49Å; V489-V504 HydrophobicContact CG1-CG2 3.97Å; V489-V504 HydrophobicContact CG2-CG2 3.68Å; V489-I549 HydrophobicContact CG2-CD1 4.26Å
490	W	98.6	Very high	96	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-67.8	-46.8	179.8	-81.1	58.6	0	0	0	113.4	W319 V400 V403 L404 I420 I476 V486 L487 R488 M492 F493 F494	W319-W490 HydrophobicContact CE3-CE3 4.43Å; W319-W490 HydrophobicContact CH2-CB 4.03Å; W319-W490 HydrophobicContact CH2-CD2 4.36Å; W319-W490 AromaticContact CH2-CE3 3.85Å; W319-W490 HydrophobicContact CH2-CE3 3.85Å; W319-W490 HydrophobicContact CH2-CG 4.47Å; W319-W490 HydrophobicContact CZ2-CB 3.62Å; W319-W490 HydrophobicContact CZ2-CE3 4.38Å; W319-W490 AromaticContact CZ3-CE3 3.88Å; W319-W490 HydrophobicContact CZ3-CE3 3.88Å; W319-W490 HydrophobicContact CZ3-CZ3 4.36Å; V400-W490 HydrophobicContact CB-CH2 4.31Å; V400-W490 HydrophobicContact CG1-CH2 3.74Å; V400-W490 HydrophobicContact CG1-CZ2 4.35Å; V400-W490 WeakPolarHBondContact O-CH2 3.3Å; V403-W490 HydrophobicContact CB-CH2 3.74Å; V403-W490 HydrophobicContact CB-CZ2 3.9Å; V403-W490 HydrophobicContact CB-CZ3 4.16Å; V403-W490 HydrophobicContact CG1-CD2 3.79Å; V403-W490 HydrophobicContact CG1-CE3 3.74Å; V403-W490 HydrophobicContact CG1-CH2 3.69Å; V403-W490 HydrophobicContact CG1-CZ2 3.75Å; V403-W490 HydrophobicContact CG1-CZ3 3.7Å; V403-W490 HydrophobicContact CG2-CH2 4.46Å; V403-W490 HydrophobicContact CG2-CZ2 4.17Å; L404-W490 HydrophobicContact CD2-CZ3 3.8Å; L404-W490 HydrophobicContact CG-CH2 4.38Å; L404-W490 HydrophobicContact CG-CZ3 3.9Å; I420-W490 HydrophobicContact CD1-CH2 4.2Å; I420-W490 HydrophobicContact CD1-CZ3 4.03Å; I476-W490 HydrophobicContact CB-CZ2 3.96Å; I476-W490 HydrophobicContact CD1-CH2 4.32Å; I476-W490 HydrophobicContact CD1-CZ2 4Å; I476-W490 HydrophobicContact CG1-CZ2 4.38Å; I476-W490 HydrophobicContact CG2-CZ2 4.5Å; I476-W490 PolarHBondContact O-NE1 3.23Å; V486-W490 PolarHBondContact O-N 3.3Å; L487-W490 PolarHBondContact O-N 2.7Å; R488-W490 VanDerWaalsContact C-N 3.32Å; W490-M492 PolarHBondContact O-N 2.92Å; W490-F493 PolarHBondContact O-N 3.25Å; W490-F494 AromaticContact CE3-CE2 3.83Å; W490-F494 HydrophobicContact CE3-CE2 3.83Å; W490-F494 HydrophobicContact CE3-CZ 4.34Å; W490-F494 HydrophobicContact CZ3-CE2 4.31Å; W490-F494 HydrophobicContact CZ3-CZ 4.4Å; W490-F494 PolarHBondContact O-N 3.17Å
491	D	98.6	Very high	96.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-52.2	-40.3	172.3	-76.1	-11.4	0	0	0	112.1	C306 I310 R315 W319 L487 R488	C306-D491 WeakPolarHBondContact CB-O 3.47Å; I310-D491 WeakPolarHBondContact CB-OD1 3.33Å; I310-D491 HydrophobicContact CD1-CB 3.99Å; I310-D491 WeakPolarHBondContact CD1-OD1 3.24Å; I310-D491 HydrophobicContact CG1-CB 3.99Å; I310-D491 VanDerWaalsContact CG1-CG 3.44Å; I310-D491 WeakPolarHBondContact CG1-OD1 3.35Å; I310-D491 PolarHBondContact N-OD2 3.19Å; R315-D491 IonicContact NE-OD1 2.72Å; R315-D491 PolarHBondContact NE-OD1 3.17Å; R315-D491 IonicContact NE-OD2 2.73Å; W319-D491 PolarHBondContact NE1-OD1 3.21Å; L487-D491 WeakPolarHBondContact O-CB 3.14Å; L487-D491 PolarHBondContact O-N 3.03Å; R488-D491 IonicContact CZ-OD2 3.32Å; R488-D491 IonicContact NH1-OD2 2.65Å; R488-D491 PolarHBondContact NH1-OD2 3.29Å
492	M	98.4	Very high	96.5	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-78	-38.9	176.3	-70.2	-170.7	-70.4	0	0	112.3	R307 R488 V489 W490 C495 E496 I500 V546 I549 I550	R307-M492 HydrophobicContact CG-CG 4.17Å; R307-M492 HydrophobicContact CG-SD 3.95Å; R488-M492 WeakPolarHBondContact O-CE 3.42Å; R488-M492 WeakPolarHBondContact O-CG 3.45Å; R488-M492 PolarHBondContact O-N 2.81Å; V489-M492 PolarHBondContact O-N 3.45Å; W490-M492 PolarHBondContact O-N 2.92Å; M492-C495 PolarHBondContact O-N 3.43Å; M492-E496 WeakPolarHBondContact O-CB 3.5Å; M492-E496 PolarHBondContact O-N 3.29Å; M492-I500 HydrophobicContact CB-CD1 4.05Å; M492-I500 HydrophobicContact CB-CG1 4.01Å; M492-I500 HydrophobicContact CB-CG2 4.1Å; M492-V546 HydrophobicContact CE-CG1 4.37Å; M492-V546 HydrophobicContact CE-CG2 4.11Å; M492-V546 HydrophobicContact SD-CG1 4.5Å; M492-I549 HydrophobicContact CE-CD1 4.2Å; M492-I549 HydrophobicContact CE-CG2 3.91Å; M492-I549 HydrophobicContact SD-CG2 4.31Å; M492-I550 HydrophobicContact SD-CG1 4.46Å
493	F	98.3	Very high	96.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-62.4	-46.1	-178.4	165.4	-103.9	0	0	0	112	I420 Y424 L425 I476 V489 W490 C495 G497 I500 I501	I420-F493 HydrophobicContact CG1-CE1 4.2Å; Y424-F493 HydrophobicContact CD1-CD2 4.36Å; Y424-F493 AromaticContact CD1-CE1 3.95Å; Y424-F493 HydrophobicContact CD1-CE1 3.95Å; Y424-F493 AromaticContact CD1-CE2 3.76Å; Y424-F493 HydrophobicContact CD1-CE2 3.76Å; Y424-F493 AromaticContact CD1-CZ 3.54Å; Y424-F493 HydrophobicContact CD1-CZ 3.54Å; Y424-F493 HydrophobicContact CE1-CZ 4.48Å; Y424-F493 WeakPolarHBondContact CE1-O 3.35Å; Y424-F493 HydrophobicContact CG-CE1 4.32Å; Y424-F493 HydrophobicContact CG-CE2 4.35Å; Y424-F493 AromaticContact CG-CZ 3.81Å; Y424-F493 HydrophobicContact CG-CZ 3.81Å; L425-F493 HydrophobicContact CD1-CZ 4.33Å; L425-F493 HydrophobicContact CD2-CE2 4.09Å; L425-F493 HydrophobicContact CD2-CZ 4.23Å; L425-F493 HydrophobicContact CG-CZ 4.21Å; I476-F493 HydrophobicContact CD1-CD1 4.33Å; I476-F493 HydrophobicContact CD1-CE1 3.71Å; I476-F493 HydrophobicContact CD1-CZ 3.9Å; I476-F493 HydrophobicContact CG2-CD1 4.33Å; I476-F493 HydrophobicContact CG2-CG 4.29Å; V489-F493 WeakPolarHBondContact O-CB 3.49Å; V489-F493 PolarHBondContact O-N 2.67Å; W490-F493 PolarHBondContact O-N 3.25Å; F493-C495 VanDerWaalsContact C-N 3.32Å; F493-C495 PolarHBondContact O-N 3.32Å; F493-G497 WeakPolarHBondContact O-CA 3.33Å; F493-G497 PolarHBondContact O-N 3.29Å; F493-I500 HydrophobicContact CB-CB 4.47Å; F493-I501 HydrophobicContact CD2-CD1 3.96Å; F493-I501 HydrophobicContact CD2-CG1 3.96Å; F493-I501 HydrophobicContact CE2-CD1 3.67Å; F493-I501 HydrophobicContact CE2-CG1 4.18Å; F493-I501 HydrophobicContact CZ-CD1 4.46Å
494	F	98.3	Very high	97.1	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175.6	-77.4	-63.4	0	0	0	112.1	W319 L322 L404 I420 Y424 W490 G587 T588	W319-F494 HydrophobicContact CB-CD2 3.87Å; W319-F494 HydrophobicContact CB-CE2 3.78Å; W319-F494 HydrophobicContact CB-CZ 4.39Å; W319-F494 AromaticContact CD1-CD2 3.74Å; W319-F494 AromaticContact CD2-CD2 3.89Å; W319-F494 HydrophobicContact CD2-CD2 3.89Å; W319-F494 AromaticContact CD2-CE2 3.58Å; W319-F494 HydrophobicContact CD2-CE2 3.58Å; W319-F494 AromaticContact CE3-CE2 3.82Å; W319-F494 HydrophobicContact CE3-CE2 3.82Å; W319-F494 AromaticContact CG-CD2 3.56Å; W319-F494 HydrophobicContact CG-CD2 3.56Å; W319-F494 AromaticContact CG-CE2 3.6Å; W319-F494 HydrophobicContact CG-CE2 3.6Å; L322-F494 HydrophobicContact CB-CB 3.74Å; L322-F494 HydrophobicContact CD1-CB 4.28Å; L404-F494 HydrophobicContact CD2-CZ 4.11Å; I420-F494 HydrophobicContact CD1-CE1 4.18Å; I420-F494 HydrophobicContact CD1-CZ 3.92Å; I420-F494 HydrophobicContact CG1-CE1 3.93Å; I420-F494 HydrophobicContact CG1-CZ 4.19Å; Y424-F494 HydrophobicContact CE1-CD1 4.46Å; Y424-F494 HydrophobicContact CE2-CD1 4.5Å; Y424-F494 PolarHBondContact OH-O 2.92Å; W490-F494 AromaticContact CE3-CE2 3.83Å; W490-F494 HydrophobicContact CE3-CE2 3.83Å; W490-F494 HydrophobicContact CE3-CZ 4.34Å; W490-F494 HydrophobicContact CZ3-CE2 4.31Å; W490-F494 HydrophobicContact CZ3-CZ 4.4Å; W490-F494 PolarHBondContact O-N 3.17Å; F494-G587 WeakPolarHBondContact O-CA 3.48Å; F494-T588 PolarHBondContact O-N 3.17Å; F494-T588 PolarHBondContact O-OG1 2.84Å
495	C	98	Very high	97.4	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-71	-39.3	-178.6	-168.9	0	0	0	0	114.3	C306 L322 M492 F493 T588	C306-C495 HydrophobicContact CB-CB 3.78Å; C306-C495 VanDerWaalsContact SG-CB 3.58Å; C306-C495 VanDerWaalsContact SG-SG 3.64Å; L322-C495 HydrophobicContact CD2-CB 3.93Å; M492-C495 PolarHBondContact O-N 3.43Å; F493-C495 VanDerWaalsContact C-N 3.32Å; F493-C495 PolarHBondContact O-N 3.32Å; C495-T588 PolarHBondContact O-N 3.07Å
496	E	97	Very high	97.6	Very high	6 Å²	6	2.9 Å²	2.9	3%	0.028	1%	0.012	C	C	.	.	H	α-helix	trans	-115	-6.5	-171.1	-67.2	-153.5	-121.9	0	0	114.7	K303 R307 M492 K499 I500 H586	K303-E496 HydrophobicContact CD-CG 4.07Å; K303-E496 WeakPolarHBondContact CE-OE1 3.2Å; K303-E496 VanDerWaalsContact CE-OE2 3.29Å; K303-E496 WeakPolarHBondContact CE-OE2 3.28Å; K303-E496 HydrophobicContact CG-CG 4.29Å; K303-E496 VanDerWaalsContact NZ-CD 3.32Å; K303-E496 IonicContact NZ-OE1 3.19Å; K303-E496 IonicContact NZ-OE2 2.75Å; K303-E496 PolarHBondContact NZ-OE2 2.76Å; R307-E496 IonicContact CZ-OE1 2.55Å; R307-E496 IonicContact NE-OE1 3.15Å; R307-E496 PolarHBondContact NE-OE1 3.4Å; R307-E496 IonicContact NH2-OE1 3.39Å; R307-E496 PolarHBondContact NH2-OE1 3.5Å; R307-E496 IonicContact NH2-OE2 2.67Å; R307-E496 PolarHBondContact NH2-OE2 2.91Å; M492-E496 WeakPolarHBondContact O-CB 3.5Å; M492-E496 PolarHBondContact O-N 3.29Å; E496-K499 VanDerWaalsContact O-CE 3.24Å; E496-K499 WeakPolarHBondContact O-CE 3.37Å; E496-K499 WeakPolarHBondContact O-CG 3.12Å; E496-K499 PolarHBondContact O-NZ 3.4Å; E496-I500 HydrophobicContact CB-CD1 3.89Å; E496-I500 HydrophobicContact CB-CG1 3.78Å; E496-I500 HydrophobicContact CG-CD1 4.45Å; E496-H586 CarbonylContact C-O 3.59Å; E496-H586 VanDerWaalsContact C-O 3.32Å; E496-H586 CarbonylContact O-C 3.58Å
497	G	95.1	Very high	97.6	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-169.2	179.9	0	0	0	0	0	115	F493 K499 I500	F493-G497 WeakPolarHBondContact O-CA 3.33Å; F493-G497 PolarHBondContact O-N 3.29Å; G497-K499 PolarHBondContact O-N 3.06Å; G497-I500 PolarHBondContact O-N 2.87Å
498	V	94.3	Very high	97.6	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.006	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-20.3	-173.2	69.7	0	0	0	0	115.7	L425 I500 I501 F502	L425-V498 HydrophobicContact CD2-CB 4.31Å; L425-V498 HydrophobicContact CD2-CG2 3.87Å; V498-I500 PolarHBondContact O-N 2.91Å; V498-I500 VanDerWaalsContact O-N 3.1Å; V498-I501 HydrophobicContact CG2-CB 4.43Å; V498-I501 HydrophobicContact CG2-CD1 4.37Å; V498-I501 WeakPolarHBondContact O-CB 3.4Å; V498-I501 PolarHBondContact O-N 3.15Å; V498-F502 HydrophobicContact CG2-CD2 4.25Å; V498-F502 HydrophobicContact CG2-CE2 4.02Å; V498-F502 WeakPolarHBondContact O-CD2 3.29Å; V498-F502 PolarHBondContact O-N 2.97Å
499	K	95.8	Very high	97.6	Very high	21 Å²	21	2.5 Å²	2.5	9%	0.091	1%	0.011	C	C	.	.	H	α-helix	trans	-59.5	-20.6	173	59.5	173.5	169.6	-72.1	0	113.9	E496 G497 R503 E556 I559 H586	E496-K499 VanDerWaalsContact O-CE 3.24Å; E496-K499 WeakPolarHBondContact O-CE 3.37Å; E496-K499 WeakPolarHBondContact O-CG 3.12Å; E496-K499 PolarHBondContact O-NZ 3.4Å; G497-K499 PolarHBondContact O-N 3.06Å; K499-R503 WeakPolarHBondContact O-CD 3.39Å; K499-R503 VanDerWaalsContact O-CG 3.26Å; K499-R503 WeakPolarHBondContact O-CG 3.39Å; K499-R503 PolarHBondContact O-N 3.15Å; K499-E556 HydrophobicContact CD-CB 4.15Å; K499-E556 IonicContact NZ-OE2 2.75Å; K499-E556 PolarHBondContact NZ-OE2 3.13Å; K499-I559 HydrophobicContact CB-CD1 3.48Å; K499-I559 VanDerWaalsContact CB-CD1 3.48Å; K499-H586 PolarHBondContact NZ-O 3.01Å
500	I	98.1	Very high	97.4	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-70.1	-43.8	170.7	-60.2	-57.3	0	0	0	111.1	V489 M492 F493 E496 G497 V498 F502 R503 V504	V489-I500 HydrophobicContact CG1-CG2 4.27Å; M492-I500 HydrophobicContact CB-CD1 4.05Å; M492-I500 HydrophobicContact CB-CG1 4.01Å; M492-I500 HydrophobicContact CB-CG2 4.1Å; F493-I500 HydrophobicContact CB-CB 4.47Å; E496-I500 HydrophobicContact CB-CD1 3.89Å; E496-I500 HydrophobicContact CB-CG1 3.78Å; E496-I500 HydrophobicContact CG-CD1 4.45Å; G497-I500 PolarHBondContact O-N 2.87Å; V498-I500 PolarHBondContact O-N 2.91Å; V498-I500 VanDerWaalsContact O-N 3.1Å; I500-F502 VanDerWaalsContact C-N 3.35Å; I500-F502 PolarHBondContact O-N 3.06Å; I500-R503 WeakPolarHBondContact O-CA 3.47Å; I500-R503 WeakPolarHBondContact O-CB 3.26Å; I500-R503 PolarHBondContact O-N 3.06Å; I500-V504 HydrophobicContact CG2-CG2 4.13Å; I500-V504 VanDerWaalsContact O-CG2 3.3Å; I500-V504 WeakPolarHBondContact O-CG2 3.37Å; I500-V504 PolarHBondContact O-N 3.08Å
501	I	97.8	Very high	97.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.1	-47.5	179	-62.7	-177.5	0	0	0	110.7	L425 F473 I476 F477 F493 V498 R503 V504 G505	L425-I501 HydrophobicContact CD1-CD1 4.49Å; L425-I501 HydrophobicContact CD2-CD1 3.84Å; F473-I501 HydrophobicContact CB-CG2 4.05Å; F473-I501 HydrophobicContact CD1-CG2 3.54Å; F473-I501 HydrophobicContact CD2-CG2 3.55Å; F473-I501 HydrophobicContact CE1-CG2 3.76Å; F473-I501 HydrophobicContact CE2-CG2 3.76Å; F473-I501 HydrophobicContact CG-CG2 3.42Å; F473-I501 VanDerWaalsContact CG-CG2 3.42Å; F473-I501 HydrophobicContact CZ-CG2 3.85Å; I476-I501 HydrophobicContact CG1-CD1 4.31Å; I476-I501 HydrophobicContact CG2-CD1 4.05Å; I476-I501 HydrophobicContact CG2-CG1 4.25Å; F477-I501 HydrophobicContact CE2-CB 4.24Å; F477-I501 HydrophobicContact CE2-CG2 3.8Å; F477-I501 HydrophobicContact CZ-CG2 4.37Å; F493-I501 HydrophobicContact CD2-CD1 3.96Å; F493-I501 HydrophobicContact CD2-CG1 3.96Å; F493-I501 HydrophobicContact CE2-CD1 3.67Å; F493-I501 HydrophobicContact CE2-CG1 4.18Å; F493-I501 HydrophobicContact CZ-CD1 4.46Å; V498-I501 HydrophobicContact CG2-CB 4.43Å; V498-I501 HydrophobicContact CG2-CD1 4.37Å; V498-I501 WeakPolarHBondContact O-CB 3.4Å; V498-I501 PolarHBondContact O-N 3.15Å; I501-R503 VanDerWaalsContact C-N 3.34Å; I501-R503 PolarHBondContact O-N 3.18Å; I501-V504 PolarHBondContact O-N 3.26Å; I501-G505 PolarHBondContact O-N 2.79Å; I501-G505 VanDerWaalsContact O-N 3.12Å
502	F	98.2	Very high	97	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.6	-40.6	172.3	-75.1	-84.2	0	0	0	113.1	D439 I442 F443 L446 F473 V498 I500 L506 I559	D439-F502 HydrophobicContact CB-CE1 4.43Å; D439-F502 HydrophobicContact CB-CZ 3.92Å; D439-F502 WeakPolarHBondContact OD2-CZ 3.5Å; I442-F502 HydrophobicContact CB-CE1 4.09Å; I442-F502 HydrophobicContact CB-CZ 4.4Å; I442-F502 HydrophobicContact CG2-CD1 4.44Å; I442-F502 HydrophobicContact CG2-CE1 3.61Å; I442-F502 HydrophobicContact CG2-CZ 3.93Å; F443-F502 HydrophobicContact CB-CD1 4.06Å; F443-F502 HydrophobicContact CB-CE1 3.93Å; F443-F502 HydrophobicContact CD2-CD1 4.07Å; L446-F502 HydrophobicContact CD1-CD1 3.7Å; L446-F502 HydrophobicContact CD1-CE1 4.24Å; L446-F502 HydrophobicContact CD1-CG 4.3Å; F473-F502 HydrophobicContact CE2-CD1 4.03Å; F473-F502 HydrophobicContact CE2-CD2 4.46Å; F473-F502 AromaticContact CE2-CE1 3.97Å; F473-F502 HydrophobicContact CE2-CE1 3.97Å; F473-F502 HydrophobicContact CE2-CE2 4.4Å; F473-F502 HydrophobicContact CE2-CG 4.29Å; F473-F502 HydrophobicContact CE2-CZ 4.17Å; F473-F502 HydrophobicContact CZ-CD1 4.14Å; F473-F502 HydrophobicContact CZ-CE1 4.46Å; F473-F502 HydrophobicContact CZ-CG 4.4Å; V498-F502 HydrophobicContact CG2-CD2 4.25Å; V498-F502 HydrophobicContact CG2-CE2 4.02Å; V498-F502 WeakPolarHBondContact O-CD2 3.29Å; V498-F502 PolarHBondContact O-N 2.97Å; I500-F502 VanDerWaalsContact C-N 3.35Å; I500-F502 PolarHBondContact O-N 3.06Å; F502-L506 WeakPolarHBondContact O-CB 3.22Å; F502-L506 WeakPolarHBondContact O-CD1 3.43Å; F502-L506 WeakPolarHBondContact O-CG 3.38Å; F502-L506 PolarHBondContact O-N 2.73Å; F502-I559 HydrophobicContact CB-CD1 4.18Å; F502-I559 HydrophobicContact CD2-CD1 3.9Å; F502-I559 HydrophobicContact CD2-CG1 4.49Å; F502-I559 HydrophobicContact CD2-CG2 4.32Å; F502-I559 HydrophobicContact CE2-CG2 3.94Å; F502-I559 HydrophobicContact CG-CD1 4.14Å; F502-I559 HydrophobicContact CZ-CG2 4.23Å
503	R	98.4	Very high	96.8	Very high	22 Å²	22	8.3 Å²	8.3	8%	0.083	4%	0.037	C	C	.	.	H	α-helix	trans	-65.9	-45.8	178.2	-78.2	168	168.7	-113.9	-4.3	111.9	K499 I500 I501 L506 V507 I549 I550 L552 V554	K499-R503 WeakPolarHBondContact O-CD 3.39Å; K499-R503 VanDerWaalsContact O-CG 3.26Å; K499-R503 WeakPolarHBondContact O-CG 3.39Å; K499-R503 PolarHBondContact O-N 3.15Å; I500-R503 WeakPolarHBondContact O-CA 3.47Å; I500-R503 WeakPolarHBondContact O-CB 3.26Å; I500-R503 PolarHBondContact O-N 3.06Å; I501-R503 VanDerWaalsContact C-N 3.34Å; I501-R503 PolarHBondContact O-N 3.18Å; R503-L506 PolarHBondContact O-N 3.28Å; R503-V507 WeakPolarHBondContact O-CG2 3.45Å; R503-V507 PolarHBondContact O-N 3.47Å; R503-I549 HydrophobicContact CB-CG2 4.1Å; R503-I549 WeakPolarHBondContact CD-O 3.25Å; R503-I549 PolarHBondContact NH1-O 3.13Å; R503-I550 PolarHBondContact NH1-O 2.93Å; R503-L552 HydrophobicContact CB-CD2 4.3Å; R503-L552 HydrophobicContact CG-CB 4.48Å; R503-L552 HydrophobicContact CG-CD2 4.14Å; R503-L552 PolarHBondContact NH1-O 3.31Å; R503-L552 VanDerWaalsContact NH1-O 3.09Å; R503-L552 PolarHBondContact NH2-O 3.4Å; R503-V554 HydrophobicContact CG-CB 4.27Å; R503-V554 VanDerWaalsContact CZ-O 3.31Å; R503-V554 PolarHBondContact NE-O 3.09Å; R503-V554 PolarHBondContact NH2-O 2.93Å
504	V	98.4	Very high	96.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.8	-57.5	178.5	179.3	0	0	0	0	109.8	F477 L481 V489 I500 I501 L506 V507 L508 I549	F477-V504 HydrophobicContact CD1-CG1 3.67Å; F477-V504 HydrophobicContact CD2-CB 4.14Å; F477-V504 HydrophobicContact CD2-CG1 3.86Å; F477-V504 HydrophobicContact CD2-CG2 4.45Å; F477-V504 HydrophobicContact CE1-CB 4.09Å; F477-V504 HydrophobicContact CE1-CG1 3.45Å; F477-V504 VanDerWaalsContact CE1-CG1 3.45Å; F477-V504 HydrophobicContact CE2-CB 3.59Å; F477-V504 HydrophobicContact CE2-CG1 3.67Å; F477-V504 HydrophobicContact CE2-CG2 4.2Å; F477-V504 HydrophobicContact CG-CG1 3.87Å; F477-V504 HydrophobicContact CZ-CB 3.57Å; F477-V504 HydrophobicContact CZ-CG1 3.48Å; F477-V504 VanDerWaalsContact CZ-CG1 3.48Å; L481-V504 HydrophobicContact CD1-CG1 4.2Å; V489-V504 HydrophobicContact CB-CG2 4.49Å; V489-V504 HydrophobicContact CG1-CG2 3.97Å; V489-V504 HydrophobicContact CG2-CG2 3.68Å; I500-V504 HydrophobicContact CG2-CG2 4.13Å; I500-V504 VanDerWaalsContact O-CG2 3.3Å; I500-V504 WeakPolarHBondContact O-CG2 3.37Å; I500-V504 PolarHBondContact O-N 3.08Å; I501-V504 PolarHBondContact O-N 3.26Å; V504-L506 VanDerWaalsContact C-N 3.25Å; V504-L506 PolarHBondContact O-N 3.07Å; V504-V507 WeakPolarHBondContact O-CA 3.36Å; V504-V507 WeakPolarHBondContact O-CB 3.05Å; V504-V507 PolarHBondContact O-N 3.29Å; V504-L508 HydrophobicContact CG1-CD1 4.17Å; V504-L508 HydrophobicContact CG1-CG 4.29Å; V504-L508 WeakPolarHBondContact O-CG 3.38Å; V504-L508 PolarHBondContact O-N 3.2Å; V504-I549 HydrophobicContact CB-CD1 4.41Å; V504-I549 HydrophobicContact CG2-CD1 3.58Å; V504-I549 HydrophobicContact CG2-CG1 4.08Å
505	G	97.9	Very high	96.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.3	-34.2	-178.1	0	0	0	0	0	113.6	I501 L508 L509	I501-G505 PolarHBondContact O-N 2.79Å; I501-G505 VanDerWaalsContact O-N 3.12Å; G505-L508 PolarHBondContact O-N 3.04Å; G505-L509 WeakPolarHBondContact O-CG 3.37Å; G505-L509 PolarHBondContact O-N 3.27Å
506	L	98.4	Very high	96.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-73.3	-30.3	176.1	-70.8	173.1	0	0	0	112.8	F443 L446 L447 T450 F502 R503 V504 K510 L552 V554	F443-L506 HydrophobicContact CD2-CD2 4Å; F443-L506 HydrophobicContact CD2-CG 3.99Å; F443-L506 HydrophobicContact CE2-CB 4.45Å; F443-L506 HydrophobicContact CE2-CD2 3.72Å; F443-L506 HydrophobicContact CE2-CG 3.64Å; F443-L506 HydrophobicContact CZ-CD2 4.13Å; F443-L506 HydrophobicContact CZ-CG 4.43Å; L446-L506 HydrophobicContact CB-CD1 3.8Å; L446-L506 HydrophobicContact CB-CD2 4.46Å; L446-L506 HydrophobicContact CD1-CD1 4.46Å; L447-L506 HydrophobicContact CB-CD2 3.71Å; L447-L506 HydrophobicContact CD1-CD2 3.84Å; L447-L506 HydrophobicContact CG-CD2 4.4Å; T450-L506 HydrophobicContact CG2-CD1 4.36Å; F502-L506 WeakPolarHBondContact O-CB 3.22Å; F502-L506 WeakPolarHBondContact O-CD1 3.43Å; F502-L506 WeakPolarHBondContact O-CG 3.38Å; F502-L506 PolarHBondContact O-N 2.73Å; R503-L506 PolarHBondContact O-N 3.28Å; V504-L506 VanDerWaalsContact C-N 3.25Å; V504-L506 PolarHBondContact O-N 3.07Å; L506-K510 WeakPolarHBondContact O-CB 3.41Å; L506-K510 PolarHBondContact O-N 3.22Å; L506-L552 HydrophobicContact CB-CD2 3.66Å; L506-L552 HydrophobicContact CD1-CD2 4.01Å; L506-V554 HydrophobicContact CD1-CG2 3.84Å
507	V	97.6	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.2	-45.3	170.3	169.8	0	0	0	0	110.2	R503 V504 L509 K510 Q511 L545 E548 I549	R503-V507 WeakPolarHBondContact O-CG2 3.45Å; R503-V507 PolarHBondContact O-N 3.47Å; V504-V507 WeakPolarHBondContact O-CA 3.36Å; V504-V507 WeakPolarHBondContact O-CB 3.05Å; V504-V507 PolarHBondContact O-N 3.29Å; V507-L509 PolarHBondContact O-N 2.9Å; V507-K510 CarbonylContact O-C 3.15Å; V507-K510 WeakPolarHBondContact O-CA 3.18Å; V507-K510 WeakPolarHBondContact O-CB 3.48Å; V507-K510 PolarHBondContact O-N 2.72Å; V507-K510 VanDerWaalsContact O-N 3.08Å; V507-Q511 HydrophobicContact CG1-CG 4.29Å; V507-Q511 WeakPolarHBondContact O-CG 3.46Å; V507-Q511 PolarHBondContact O-N 2.98Å; V507-L545 HydrophobicContact CG1-CD1 3.83Å; V507-E548 HydrophobicContact CB-CB 4.44Å; V507-E548 HydrophobicContact CG1-CB 3.61Å; V507-E548 HydrophobicContact CG1-CG 4.37Å; V507-E548 HydrophobicContact CG2-CB 3.88Å; V507-I549 HydrophobicContact CG2-CG1 4.3Å
508	L	96.9	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.5	-48.8	175.7	-63.6	-177.3	0	0	0	111.4	W472 F477 L481 V504 G505 K510 Q511 M512 I535 I540 L545	W472-L508 HydrophobicContact CD2-CD1 4.39Å; W472-L508 HydrophobicContact CE3-CD1 4.3Å; W472-L508 HydrophobicContact CH2-CB 4.25Å; W472-L508 HydrophobicContact CH2-CD1 4.44Å; W472-L508 HydrophobicContact CZ3-CB 4.3Å; W472-L508 HydrophobicContact CZ3-CD1 4.33Å; F477-L508 HydrophobicContact CD1-CD1 3.92Å; F477-L508 HydrophobicContact CE1-CD1 3.61Å; L481-L508 HydrophobicContact CD2-CD2 4.22Å; V504-L508 HydrophobicContact CG1-CD1 4.17Å; V504-L508 HydrophobicContact CG1-CG 4.29Å; V504-L508 WeakPolarHBondContact O-CG 3.38Å; V504-L508 PolarHBondContact O-N 3.2Å; G505-L508 PolarHBondContact O-N 3.04Å; L508-K510 VanDerWaalsContact C-N 3.35Å; L508-K510 PolarHBondContact O-N 2.73Å; L508-Q511 PolarHBondContact O-N 3.48Å; L508-Q511 VanDerWaalsContact O-N 3.16Å; L508-M512 HydrophobicContact CB-CE 3.87Å; L508-M512 VanDerWaalsContact O-CE 3.32Å; L508-M512 WeakPolarHBondContact O-CE 3.46Å; L508-M512 PolarHBondContact O-N 3.49Å; L508-I535 HydrophobicContact CD1-CD1 3.97Å; L508-I535 HydrophobicContact CD2-CD1 4.38Å; L508-I535 HydrophobicContact CD2-CG2 4.46Å; L508-I540 HydrophobicContact CD2-CG2 3.42Å; L508-I540 VanDerWaalsContact CD2-CG2 3.42Å; L508-L545 HydrophobicContact CD2-CD1 4.36Å
509	L	97.1	Very high	95.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-34.5	174.6	-69.7	-171.1	0	0	0	113.6	F443 L447 L458 Y468 W472 G505 V507 M512 L513 L532	F443-L509 HydrophobicContact CE1-CD1 3.49Å; F443-L509 VanDerWaalsContact CE1-CD1 3.49Å; F443-L509 HydrophobicContact CE1-CG 4.44Å; F443-L509 HydrophobicContact CZ-CD1 3.58Å; F443-L509 HydrophobicContact CZ-CG 4.15Å; L447-L509 HydrophobicContact CD1-CB 3.86Å; L447-L509 HydrophobicContact CD1-CD1 3.76Å; L447-L509 HydrophobicContact CD2-CD1 3.62Å; L447-L509 HydrophobicContact CG-CD1 4.26Å; L458-L509 HydrophobicContact CD1-CD1 4.18Å; Y468-L509 HydrophobicContact CE2-CD1 3.99Å; Y468-L509 HydrophobicContact CE2-CD2 3.96Å; Y468-L509 HydrophobicContact CE2-CG 4.34Å; W472-L509 HydrophobicContact CH2-CD2 4.08Å; W472-L509 HydrophobicContact CZ3-CD2 4.38Å; W472-L509 HydrophobicContact CZ3-CG 4.37Å; G505-L509 WeakPolarHBondContact O-CG 3.37Å; G505-L509 PolarHBondContact O-N 3.27Å; V507-L509 PolarHBondContact O-N 2.9Å; L509-M512 HydrophobicContact CD2-CE 4.34Å; L509-L513 HydrophobicContact CD2-CD1 4.22Å; L509-L513 WeakPolarHBondContact O-CA 3.25Å; L509-L513 WeakPolarHBondContact O-CB 3.3Å; L509-L513 PolarHBondContact O-N 3.04Å; L509-L532 HydrophobicContact CD2-CD2 3.25Å
510	K	95.1	Very high	95.7	Very high	79 Å²	79	31.1 Å²	31.1	34%	0.343	16%	0.156	S	C	.	.	H	α-helix	trans	-64.3	-40.9	172.1	179.3	-168.7	165.5	-167.7	0	110.9	L506 V507 L508 G514 E548	L506-K510 WeakPolarHBondContact O-CB 3.41Å; L506-K510 PolarHBondContact O-N 3.22Å; V507-K510 CarbonylContact O-C 3.15Å; V507-K510 WeakPolarHBondContact O-CA 3.18Å; V507-K510 WeakPolarHBondContact O-CB 3.48Å; V507-K510 PolarHBondContact O-N 2.72Å; V507-K510 VanDerWaalsContact O-N 3.08Å; L508-K510 VanDerWaalsContact C-N 3.35Å; L508-K510 PolarHBondContact O-N 2.73Å; K510-G514 WeakPolarHBondContact O-CA 3.46Å; K510-G514 PolarHBondContact O-N 3.39Å; K510-E548 WeakPolarHBondContact CD-OE2 3.47Å; K510-E548 IonicContact NZ-OE1 3.32Å; K510-E548 PolarHBondContact NZ-OE1 3.11Å; K510-E548 IonicContact NZ-OE2 2.69Å; K510-E548 PolarHBondContact NZ-OE2 3.45Å
511	Q	93.1	Very high	95.3	Very high	37 Å²	37	36.2 Å²	36.2	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-72	-35.7	-179.8	-66.2	-63.3	9	0	0	112.7	V507 L508 K518 T539	V507-Q511 HydrophobicContact CG1-CG 4.29Å; V507-Q511 WeakPolarHBondContact O-CG 3.46Å; V507-Q511 PolarHBondContact O-N 2.98Å; L508-Q511 PolarHBondContact O-N 3.48Å; L508-Q511 VanDerWaalsContact O-N 3.16Å; Q511-K518 VanDerWaalsContact O-CD 3.31Å; Q511-K518 WeakPolarHBondContact O-CD 3.33Å; Q511-K518 WeakPolarHBondContact O-CE 3.33Å; Q511-K518 PolarHBondContact O-NZ 2.95Å; Q511-T539 HydrophobicContact CB-CG2 4.21Å
512	M	94.2	Very high	95.1	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-82	-39.1	179.1	-69.1	-178.5	-80.6	0	0	113.8	W472 L508 L509 R531 L532 I535	W472-M512 HydrophobicContact CH2-CE 3.74Å; W472-M512 HydrophobicContact CZ2-CE 4.08Å; L508-M512 HydrophobicContact CB-CE 3.87Å; L508-M512 VanDerWaalsContact O-CE 3.32Å; L508-M512 WeakPolarHBondContact O-CE 3.46Å; L508-M512 PolarHBondContact O-N 3.49Å; L509-M512 HydrophobicContact CD2-CE 4.34Å; M512-R531 HydrophobicContact CB-CG 4.34Å; M512-L532 HydrophobicContact CE-CD2 3.91Å; M512-L532 HydrophobicContact SD-CD2 4.25Å; M512-I535 HydrophobicContact CE-CD1 3.99Å; M512-I535 HydrophobicContact CE-CG1 4.14Å; M512-I535 HydrophobicContact CE-CG2 4.46Å; M512-I535 HydrophobicContact CG-CG2 4.35Å; M512-I535 HydrophobicContact SD-CB 4.33Å; M512-I535 HydrophobicContact SD-CD1 4.36Å; M512-I535 HydrophobicContact SD-CG1 3.85Å; M512-I535 HydrophobicContact SD-CG2 4.09Å
513	L	95.8	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-125.8	10.8	-166.1	-55.5	-179.8	0	0	0	114	A454 L458 L509 L519 L522 T528 L532	A454-L513 HydrophobicContact CB-CB 3.57Å; A454-L513 HydrophobicContact CB-CD1 4.34Å; L458-L513 HydrophobicContact CD1-CD1 4.16Å; L458-L513 HydrophobicContact CD2-CD1 3.74Å; L458-L513 HydrophobicContact CG-CD1 3.91Å; L509-L513 HydrophobicContact CD2-CD1 4.22Å; L509-L513 WeakPolarHBondContact O-CA 3.25Å; L509-L513 WeakPolarHBondContact O-CB 3.3Å; L509-L513 PolarHBondContact O-N 3.04Å; L513-L519 HydrophobicContact CB-CD2 3.91Å; L513-L519 HydrophobicContact CD2-CD2 3.86Å; L513-L519 HydrophobicContact CG-CD2 4.48Å; L513-L522 HydrophobicContact CD2-CD1 3.32Å; L513-T528 HydrophobicContact CD2-CG2 4.29Å; L513-L532 HydrophobicContact CD1-CD2 4.28Å
514	G	94.4	Very high	94.5	Very high	24 Å²	24	42 Å²	42	25%	0.247	21%	0.212	C	C	.	.	S	Bend	trans	-98.1	8.2	-169.9	0	0	0	0	0	117.5	M453 K510	M453-G514 VanDerWaalsContact SD-C 3.51Å; M453-G514 VanDerWaalsContact SD-O 3.39Å; K510-G514 WeakPolarHBondContact O-CA 3.46Å; K510-G514 PolarHBondContact O-N 3.39Å
515	S	94.3	Very high	94.4	Very high	41 Å²	41	47.1 Å²	47.1	29%	0.287	24%	0.237	S	C	.	.	S	Bend	trans	-129	154.2	168.4	71.6	0	0	0	0	111.2	D517 K518 L519	S515-D517 VanDerWaalsContact C-N 3.25Å; S515-D517 PolarHBondContact O-N 3.47Å; S515-K518 PolarHBondContact O-N 2.92Å; S515-K518 WeakPolarHBondContact OG-CG 3.46Å; S515-K518 PolarHBondContact OG-N 3.11Å; S515-L519 WeakPolarHBondContact O-CG 3.49Å; S515-L519 PolarHBondContact O-N 2.93Å
516	V	93.6	Very high	94.2	Very high	91 Å²	91	54.9 Å²	54.9	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-61.6	-37.2	-178.8	177.2	0	0	0	0	111.3	L519 R520	V516-L519 CarbonylContact O-C 3.1Å; V516-L519 PolarHBondContact O-N 3.38Å; V516-L519 VanDerWaalsContact O-N 3.15Å; V516-R520 WeakPolarHBondContact O-CG 3Å; V516-R520 PolarHBondContact O-N 2.87Å
517	D	93.1	Very high	94	Very high	89 Å²	89	57.9 Å²	57.9	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-70.1	-43.4	-176	-47.9	-70.3	0	0	0	111.6	S515 L519 R520	S515-D517 VanDerWaalsContact C-N 3.25Å; S515-D517 PolarHBondContact O-N 3.47Å; D517-L519 PolarHBondContact O-N 2.87Å; D517-R520 WeakPolarHBondContact O-CB 3.5Å; D517-R520 PolarHBondContact O-N 3.36Å; D517-R520 IonicContact OD1-CZ 3.52Å; D517-R520 IonicContact OD1-NH1 2.74Å; D517-R520 PolarHBondContact OD1-NH1 3.47Å
518	K	92.3	Very high	94	Very high	65 Å²	65	57.9 Å²	57.9	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-29.2	170.6	-70.7	175.9	177	-179.8	0	112.6	Q511 S515 L522	Q511-K518 VanDerWaalsContact O-CD 3.31Å; Q511-K518 WeakPolarHBondContact O-CD 3.33Å; Q511-K518 WeakPolarHBondContact O-CE 3.33Å; Q511-K518 PolarHBondContact O-NZ 2.95Å; S515-K518 PolarHBondContact O-N 2.92Å; S515-K518 WeakPolarHBondContact OG-CG 3.46Å; S515-K518 PolarHBondContact OG-N 3.11Å; K518-L522 WeakPolarHBondContact O-CD1 3.43Å; K518-L522 VanDerWaalsContact O-CG 3.3Å; K518-L522 WeakPolarHBondContact O-CG 3.15Å
519	L	93.8	Very high	93.9	Very high	32 Å²	32	59.1 Å²	59.1	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-83.7	-13.5	174.8	-61.8	-174.2	0	0	0	114	M453 H457 L513 S515 V516 D517 L522	M453-L519 HydrophobicContact CB-CD1 4.21Å; M453-L519 HydrophobicContact CG-CD1 4.24Å; H457-L519 HydrophobicContact CB-CD1 4.27Å; H457-L519 HydrophobicContact CB-CD2 4.16Å; L513-L519 HydrophobicContact CB-CD2 3.91Å; L513-L519 HydrophobicContact CD2-CD2 3.86Å; L513-L519 HydrophobicContact CG-CD2 4.48Å; S515-L519 WeakPolarHBondContact O-CG 3.49Å; S515-L519 PolarHBondContact O-N 2.93Å; V516-L519 CarbonylContact O-C 3.1Å; V516-L519 PolarHBondContact O-N 3.38Å; V516-L519 VanDerWaalsContact O-N 3.15Å; D517-L519 PolarHBondContact O-N 2.87Å; L519-L522 HydrophobicContact CD2-CD1 4.35Å
520	R	92.1	Very high	93.7	Very high	165 Å²	165	63.3 Å²	63.3	62%	0.623	31%	0.307	S	S	*	.	H	α-helix	trans	-76.1	-28.3	173.4	-76.1	168.8	162.5	169.3	-14.9	112.3	V516 D517 L522 Q523	V516-R520 WeakPolarHBondContact O-CG 3Å; V516-R520 PolarHBondContact O-N 2.87Å; D517-R520 WeakPolarHBondContact O-CB 3.5Å; D517-R520 PolarHBondContact O-N 3.36Å; D517-R520 IonicContact OD1-CZ 3.52Å; D517-R520 IonicContact OD1-NH1 2.74Å; D517-R520 PolarHBondContact OD1-NH1 3.47Å; R520-L522 VanDerWaalsContact C-N 3.3Å; R520-Q523 PolarHBondContact O-NE2 3.17Å
521	E	89.7	Confident	93.7	Very high	107 Å²	107	63.2 Å²	63.2	50%	0.5	31%	0.305	S	S	.	.	S	Bend	trans	-70	-27.6	173.3	-63.6	160.3	-156.6	0	0	112.1	Q523 R531	E521-Q523 PolarHBondContact O-N 2.86Å; E521-R531 IonicContact OE2-CZ 3.27Å; E521-R531 IonicContact OE2-NH1 2.86Å; E521-R531 PolarHBondContact OE2-NH1 3.46Å; E521-R531 IonicContact OE2-NH2 3.68Å; E521-R531 PolarHBondContact OE2-NH2 3.22Å
522	L	93.8	Very high	93.7	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	30%	0.297	C	S	.	.			trans	-102.6	72.1	-166.8	-55.4	175.9	0	0	0	111.3	H457 L513 K518 L519 R520 E527 R531	H457-L522 PolarHBondContact CE1-O 3.47Å; L513-L522 HydrophobicContact CD2-CD1 3.32Å; K518-L522 WeakPolarHBondContact O-CD1 3.43Å; K518-L522 VanDerWaalsContact O-CG 3.3Å; K518-L522 WeakPolarHBondContact O-CG 3.15Å; L519-L522 HydrophobicContact CD2-CD1 4.35Å; R520-L522 VanDerWaalsContact C-N 3.3Å; L522-E527 HydrophobicContact CD2-CB 4.01Å; L522-E527 WeakPolarHBondContact CD2-O 3.32Å; L522-R531 HydrophobicContact CD1-CB 4.38Å; L522-R531 HydrophobicContact CD1-CG 4.19Å; L522-R531 HydrophobicContact CD2-CB 3.85Å; L522-R531 HydrophobicContact CD2-CG 4.22Å
523	Q	90.8	Very high	93.6	Very high	125 Å²	125	67.5 Å²	67.5	58%	0.584	32%	0.319	S	S	*	.			trans	-74.9	-23.4	-172	-68	-61.7	-24.6	0	0	114.5	F461 R520 E521	F461-Q523 VanDerWaalsContact CE1-O 3.31Å; F461-Q523 WeakPolarHBondContact CE1-O 3.4Å; F461-Q523 WeakPolarHBondContact CZ-O 3.37Å; R520-Q523 PolarHBondContact O-NE2 3.17Å; E521-Q523 PolarHBondContact O-N 2.86Å
524	G	92.9	Very high	93.3	Very high	15 Å²	15	72.7 Å²	72.7	16%	0.155	35%	0.347	C	S	.	.	S	Bend	trans	-129.7	-169.5	-179.8	0	0	0	0	0	115.3	E527 T528	G524-E527 WeakPolarHBondContact CA-OE2 3.48Å; G524-E527 VanDerWaalsContact N-CD 3.29Å; G524-E527 PolarHBondContact N-OE1 3.27Å; G524-E527 PolarHBondContact N-OE2 3.28Å; G524-E527 VanDerWaalsContact N-OE2 3.11Å; G524-T528 PolarHBondContact O-OG1 2.74Å
525	M	95	Very high	93	Very high	108 Å²	108	72.5 Å²	72.5	53%	0.532	34%	0.34	S	S	.	.	H	α-helix	trans	-75.2	-36.4	176.5	-173.9	-176.1	74.7	0	0	111.7	F461 I463 M529	F461-M525 HydrophobicContact CB-CB 4.26Å; I463-M525 HydrophobicContact CD1-CG 4.04Å; I463-M525 HydrophobicContact CG1-CG 3.81Å; M525-M529 HydrophobicContact CG-CG 4.45Å; M525-M529 WeakPolarHBondContact O-CB 3.47Å; M525-M529 WeakPolarHBondContact O-CG 3.31Å; M525-M529 PolarHBondContact O-N 3.39Å
526	Y	94.3	Very high	92.7	Very high	164 Å²	164	73.1 Å²	73.1	64%	0.643	34%	0.344	S	S	*	.	H	α-helix	trans	-65.4	-55.2	-174.4	175	-89.3	0	0	0	110.9	T528 M529 E530	Y526-T528 PolarHBondContact O-N 2.91Å; Y526-M529 CarbonylContact O-C 3.34Å; Y526-M529 WeakPolarHBondContact O-CA 3.2Å; Y526-M529 PolarHBondContact O-N 3.1Å; Y526-E530 WeakPolarHBondContact CE1-OE2 3.38Å; Y526-E530 WeakPolarHBondContact O-CB 3.46Å; Y526-E530 PolarHBondContact O-N 3.05Å
527	E	94.9	Very high	92.2	Very high	63 Å²	63	72.9 Å²	72.9	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-38.1	-179.4	-44.6	92.3	124	0	0	110.3	L522 G524 R531	L522-E527 HydrophobicContact CD2-CB 4.01Å; L522-E527 WeakPolarHBondContact CD2-O 3.32Å; G524-E527 WeakPolarHBondContact CA-OE2 3.48Å; G524-E527 VanDerWaalsContact N-CD 3.29Å; G524-E527 PolarHBondContact N-OE1 3.27Å; G524-E527 PolarHBondContact N-OE2 3.28Å; G524-E527 VanDerWaalsContact N-OE2 3.11Å; E527-R531 VanDerWaalsContact O-CB 3.25Å; E527-R531 WeakPolarHBondContact O-CB 3.31Å; E527-R531 PolarHBondContact O-N 2.66Å
528	T	96.1	Very high	91.7	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-42.3	174.6	-55	0	0	0	0	111.4	H457 L458 I463 L513 G524 Y526 L532	H457-T528 PolarHBondContact NE2-OG1 3.39Å; L458-T528 HydrophobicContact CD2-CG2 3.89Å; I463-T528 HydrophobicContact CD1-CG2 3.43Å; I463-T528 VanDerWaalsContact CD1-CG2 3.43Å; L513-T528 HydrophobicContact CD2-CG2 4.29Å; G524-T528 PolarHBondContact O-OG1 2.74Å; Y526-T528 PolarHBondContact O-N 2.91Å; T528-L532 HydrophobicContact CG2-CD1 4.29Å; T528-L532 WeakPolarHBondContact O-CB 3.19Å; T528-L532 WeakPolarHBondContact O-CG 3.31Å; T528-L532 PolarHBondContact O-N 3.37Å
529	M	95.6	Very high	91.3	Very high	25 Å²	25	71.8 Å²	71.8	12%	0.123	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-38.4	177	-76.2	-56.6	-54.7	0	0	112.8	I463 L467 M525 Y526 L532 R533	I463-M529 HydrophobicContact CB-SD 4.43Å; I463-M529 HydrophobicContact CD1-CG 4.17Å; I463-M529 HydrophobicContact CD1-SD 4.18Å; I463-M529 HydrophobicContact CG1-CG 4.39Å; I463-M529 HydrophobicContact CG1-SD 4.14Å; I463-M529 HydrophobicContact CG2-SD 3.45Å; I463-M529 WeakPolarHBondContact CG2-SD 3.36Å; L467-M529 HydrophobicContact CB-CE 3.96Å; L467-M529 HydrophobicContact CB-SD 4.35Å; L467-M529 WeakPolarHBondContact O-CE 3.45Å; M525-M529 HydrophobicContact CG-CG 4.45Å; M525-M529 WeakPolarHBondContact O-CB 3.47Å; M525-M529 WeakPolarHBondContact O-CG 3.31Å; M525-M529 PolarHBondContact O-N 3.39Å; Y526-M529 CarbonylContact O-C 3.34Å; Y526-M529 WeakPolarHBondContact O-CA 3.2Å; Y526-M529 PolarHBondContact O-N 3.1Å; M529-L532 PolarHBondContact O-N 3.12Å; M529-L532 HydrophobicContact SD-CD1 4.1Å; M529-R533 WeakPolarHBondContact O-CG 3.41Å; M529-R533 PolarHBondContact O-N 2.96Å; M529-R533 VanDerWaalsContact O-N 3.11Å
530	E	93.9	Very high	91	Very high	89 Å²	89	70.8 Å²	70.8	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-49.1	173.1	-178.1	177.6	-158.2	0	0	110.6	Y526 L532 R533 N534	Y526-E530 WeakPolarHBondContact CE1-OE2 3.38Å; Y526-E530 WeakPolarHBondContact O-CB 3.46Å; Y526-E530 PolarHBondContact O-N 3.05Å; E530-L532 PolarHBondContact O-N 2.99Å; E530-R533 PolarHBondContact O-N 3.29Å; E530-R533 VanDerWaalsContact O-N 3.09Å; E530-N534 WeakPolarHBondContact O-CB 3.34Å; E530-N534 PolarHBondContact O-N 2.81Å
531	R	94	Very high	90.8	Very high	77 Å²	77	66.7 Å²	66.7	29%	0.291	32%	0.322	S	S	.	.	H	α-helix	trans	-59.3	-33.4	174.9	-173.5	63	60.4	87.6	-5	112.8	M512 E521 L522 E527	M512-R531 HydrophobicContact CB-CG 4.34Å; E521-R531 IonicContact OE2-CZ 3.27Å; E521-R531 IonicContact OE2-NH1 2.86Å; E521-R531 PolarHBondContact OE2-NH1 3.46Å; E521-R531 IonicContact OE2-NH2 3.68Å; E521-R531 PolarHBondContact OE2-NH2 3.22Å; L522-R531 HydrophobicContact CD1-CB 4.38Å; L522-R531 HydrophobicContact CD1-CG 4.19Å; L522-R531 HydrophobicContact CD2-CB 3.85Å; L522-R531 HydrophobicContact CD2-CG 4.22Å; E527-R531 VanDerWaalsContact O-CB 3.25Å; E527-R531 WeakPolarHBondContact O-CB 3.31Å; E527-R531 PolarHBondContact O-N 2.66Å
532	L	93.9	Very high	90.9	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-74.4	-24.9	177	-74.4	170.6	0	0	0	114	L458 I463 Y468 W472 L509 M512 L513 T528 M529 E530	L458-L532 HydrophobicContact CD2-CD1 3.97Å; I463-L532 HydrophobicContact CG2-CD1 4.12Å; Y468-L532 HydrophobicContact CD1-CD1 3.82Å; Y468-L532 HydrophobicContact CE1-CD1 4.27Å; Y468-L532 HydrophobicContact CG-CD1 4.08Å; W472-L532 HydrophobicContact CH2-CD2 4.39Å; L509-L532 HydrophobicContact CD2-CD2 3.25Å; M512-L532 HydrophobicContact CE-CD2 3.91Å; M512-L532 HydrophobicContact SD-CD2 4.25Å; L513-L532 HydrophobicContact CD1-CD2 4.28Å; T528-L532 HydrophobicContact CG2-CD1 4.29Å; T528-L532 WeakPolarHBondContact O-CB 3.19Å; T528-L532 WeakPolarHBondContact O-CG 3.31Å; T528-L532 PolarHBondContact O-N 3.37Å; M529-L532 PolarHBondContact O-N 3.12Å; M529-L532 HydrophobicContact SD-CD1 4.1Å; E530-L532 PolarHBondContact O-N 2.99Å
533	R	90.8	Very high	90.6	Very high	133 Å²	133	68.6 Å²	68.6	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-83.2	-46.9	172.3	-69.3	172.9	177	-172.2	-4.3	110.8	M529 E530 I535	M529-R533 WeakPolarHBondContact O-CG 3.41Å; M529-R533 PolarHBondContact O-N 2.96Å; M529-R533 VanDerWaalsContact O-N 3.11Å; E530-R533 PolarHBondContact O-N 3.29Å; E530-R533 VanDerWaalsContact O-N 3.09Å; R533-I535 PolarHBondContact O-N 3.43Å
534	N	89.3	Confident	90.6	Very high	110 Å²	110	65 Å²	65	59%	0.588	32%	0.32	S	S	*	.	S	Bend	trans	-95.6	76.5	-172.6	-61.7	-14.6	0	0	0	110.6	E530	E530-N534 WeakPolarHBondContact O-CB 3.34Å; E530-N534 PolarHBondContact O-N 2.81Å
535	I	89.6	Confident	90.7	Very high	20 Å²	20	64.4 Å²	64.4	10%	0.103	31%	0.313	C	S	.	.			trans	-75.8	128	-178.2	-42.9	-173.4	0	0	0	110.4	W472 T480 L508 M512 R533 I540	W472-I535 HydrophobicContact CZ2-CD1 4.02Å; T480-I535 HydrophobicContact CG2-CD1 3.93Å; L508-I535 HydrophobicContact CD1-CD1 3.97Å; L508-I535 HydrophobicContact CD2-CD1 4.38Å; L508-I535 HydrophobicContact CD2-CG2 4.46Å; M512-I535 HydrophobicContact CE-CD1 3.99Å; M512-I535 HydrophobicContact CE-CG1 4.14Å; M512-I535 HydrophobicContact CE-CG2 4.46Å; M512-I535 HydrophobicContact CG-CG2 4.35Å; M512-I535 HydrophobicContact SD-CB 4.33Å; M512-I535 HydrophobicContact SD-CD1 4.36Å; M512-I535 HydrophobicContact SD-CG1 3.85Å; M512-I535 HydrophobicContact SD-CG2 4.09Å; R533-I535 PolarHBondContact O-N 3.43Å; I535-I540 HydrophobicContact CB-CD1 4.26Å; I535-I540 HydrophobicContact CG2-CD1 4.3Å; I535-I540 HydrophobicContact CG2-CG2 3.65Å
536	S	86.3	Confident	90.7	Very high	53 Å²	53	60 Å²	60	37%	0.371	29%	0.292	S	S	.	.			trans	-59.8	127.5	179.4	154.3	0	0	0	0	111.8	D538 T539	S536-D538 VanDerWaalsContact C-N 3.3Å; S536-D538 PolarHBondContact O-N 3.19Å; S536-D538 PolarHBondContact OG-OD2 2.96Å; S536-T539 PolarHBondContact O-N 3.34Å; S536-T539 PolarHBondContact O-OG1 3.23Å
537	P	83.4	Confident	90.8	Very high	87 Å²	87	58.6 Å²	58.6	57%	0.565	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-60.5	-37.2	-173.6	23.2	-33.7	0	0	0	112.7	T539 I540 R541	P537-T539 PolarHBondContact O-N 2.69Å; P537-I540 VanDerWaalsContact O-CG1 3.28Å; P537-I540 WeakPolarHBondContact O-CG1 3.32Å; P537-I540 PolarHBondContact O-N 3.42Å; P537-R541 PolarHBondContact O-N 2.88Å; P537-R541 VanDerWaalsContact O-N 3.17Å
538	D	83.6	Confident	90.8	Very high	109 Å²	109	57.7 Å²	57.7	58%	0.583	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.1	-33.9	177.6	-52	-75.3	0	0	0	112.8	S536 I540 R541	S536-D538 VanDerWaalsContact C-N 3.3Å; S536-D538 PolarHBondContact O-N 3.19Å; S536-D538 PolarHBondContact OG-OD2 2.96Å; D538-I540 VanDerWaalsContact C-N 3.32Å; D538-R541 WeakPolarHBondContact O-CG 3.28Å
539	T	83.3	Confident	90.9	Very high	21 Å²	21	57.8 Å²	57.8	13%	0.129	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-81.4	-12.2	-177.8	69.3	0	0	0	0	114	Q511 S536 P537	Q511-T539 HydrophobicContact CB-CG2 4.21Å; S536-T539 PolarHBondContact O-N 3.34Å; S536-T539 PolarHBondContact O-OG1 3.23Å; P537-T539 PolarHBondContact O-N 2.69Å
540	I	87.9	Confident	90.9	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.056	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	8.4	-177.3	58.9	-174.4	0	0	0	113.5	L481 P482 S485 L508 I535 P537 D538	L481-I540 HydrophobicContact CD2-CB 3.79Å; L481-I540 HydrophobicContact CD2-CG2 3.79Å; P482-I540 HydrophobicContact CG-CD1 4.23Å; P482-I540 HydrophobicContact CG-CG1 3.96Å; S485-I540 PolarHBondContact OG-O 2.94Å; L508-I540 HydrophobicContact CD2-CG2 3.42Å; L508-I540 VanDerWaalsContact CD2-CG2 3.42Å; I535-I540 HydrophobicContact CB-CD1 4.26Å; I535-I540 HydrophobicContact CG2-CD1 4.3Å; I535-I540 HydrophobicContact CG2-CG2 3.65Å; P537-I540 VanDerWaalsContact O-CG1 3.28Å; P537-I540 WeakPolarHBondContact O-CG1 3.32Å; P537-I540 PolarHBondContact O-N 3.42Å; D538-I540 VanDerWaalsContact C-N 3.32Å
541	R	88.6	Confident	91	Very high	80 Å²	80	60.9 Å²	60.9	30%	0.302	30%	0.304	S	S	.	.			trans	-51.8	143.4	164.3	-69.5	177	54.2	70.3	28.9	112.1	D266 P537 D538 D543 V544 L545	D266-R541 IonicContact OD1-NH1 3.3Å; D266-R541 IonicContact OD2-CZ 2.99Å; D266-R541 IonicContact OD2-NH1 2.77Å; D266-R541 PolarHBondContact OD2-NH1 3.34Å; D266-R541 IonicContact OD2-NH2 2.94Å; D266-R541 PolarHBondContact OD2-NH2 3.48Å; D266-R541 VanDerWaalsContact OD2-NH2 3.15Å; P537-R541 PolarHBondContact O-N 2.88Å; P537-R541 VanDerWaalsContact O-N 3.17Å; D538-R541 WeakPolarHBondContact O-CG 3.28Å; R541-D543 IonicContact CZ-OD1 2.77Å; R541-D543 IonicContact NE-OD1 3.12Å; R541-D543 PolarHBondContact NE-OD1 3.05Å; R541-D543 IonicContact NH2-OD1 2.66Å; R541-D543 PolarHBondContact NH2-OD1 3.02Å; R541-D543 PolarHBondContact O-N 3.02Å; R541-V544 PolarHBondContact O-N 3.16Å; R541-L545 WeakPolarHBondContact O-CB 3.39Å; R541-L545 PolarHBondContact O-N 3.37Å
542	E	90.7	Very high	91.1	Very high	61 Å²	61	57.9 Å²	57.9	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-52.4	-51.1	-174.2	-163	-154.9	128.2	0	0	112.9	S485 R488 V546	S485-E542 VanDerWaalsContact OG-CA 3.3Å; S485-E542 WeakPolarHBondContact OG-CA 3.42Å; S485-E542 PolarHBondContact OG-N 3.3Å; R488-E542 HydrophobicContact CB-CG 4.28Å; R488-E542 VanDerWaalsContact CD-OE1 3.26Å; R488-E542 WeakPolarHBondContact CD-OE1 3.28Å; R488-E542 HydrophobicContact CG-CG 3.32Å; R488-E542 VanDerWaalsContact CG-OE1 3.24Å; R488-E542 WeakPolarHBondContact CG-OE1 3.4Å; R488-E542 IonicContact NE-OE1 3.59Å; R488-E542 PolarHBondContact NE-OE1 2.87Å; E542-V546 HydrophobicContact CG-CG2 4.32Å; E542-V546 VanDerWaalsContact O-CB 3.3Å; E542-V546 WeakPolarHBondContact O-CB 3.48Å; E542-V546 VanDerWaalsContact O-CG2 3.23Å; E542-V546 WeakPolarHBondContact O-CG2 3.43Å; E542-V546 PolarHBondContact O-N 3.27Å
543	D	88.1	Confident	91.1	Very high	88 Å²	88	62.9 Å²	62.9	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-45.7	-169.9	59.4	-55.7	0	0	0	112.3	R541 Q547	R541-D543 IonicContact CZ-OD1 2.77Å; R541-D543 IonicContact NE-OD1 3.12Å; R541-D543 PolarHBondContact NE-OD1 3.05Å; R541-D543 IonicContact NH2-OD1 2.66Å; R541-D543 PolarHBondContact NH2-OD1 3.02Å; R541-D543 PolarHBondContact O-N 3.02Å; D543-Q547 WeakPolarHBondContact O-CB 3.41Å; D543-Q547 PolarHBondContact O-N 2.84Å
544	V	91.2	Very high	91.3	Very high	51 Å²	51	56.6 Å²	56.6	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-46.8	177.2	-178.1	0	0	0	0	110.9	R541 Q547 E548	R541-V544 PolarHBondContact O-N 3.16Å; V544-Q547 PolarHBondContact O-N 3.02Å; V544-E548 PolarHBondContact O-N 3.19Å; V544-E548 VanDerWaalsContact O-N 3.14Å
545	L	94.6	Very high	91.6	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-46.2	-175.3	-178.7	59.6	0	0	0	111.6	L481 V507 L508 R541 Q547 E548 I549	L481-L545 HydrophobicContact CD1-CD2 3.94Å; L481-L545 HydrophobicContact CD2-CD2 3.78Å; L481-L545 HydrophobicContact CG-CD2 4.49Å; V507-L545 HydrophobicContact CG1-CD1 3.83Å; L508-L545 HydrophobicContact CD2-CD1 4.36Å; R541-L545 WeakPolarHBondContact O-CB 3.39Å; R541-L545 PolarHBondContact O-N 3.37Å; L545-Q547 PolarHBondContact O-N 2.56Å; L545-E548 PolarHBondContact O-N 2.91Å; L545-I549 HydrophobicContact CD1-CD1 3.88Å; L545-I549 HydrophobicContact CD1-CG1 4.25Å; L545-I549 HydrophobicContact CG-CD1 3.69Å; L545-I549 HydrophobicContact CG-CG1 4.5Å; L545-I549 WeakPolarHBondContact O-CB 3.47Å; L545-I549 WeakPolarHBondContact O-CD1 3.49Å; L545-I549 WeakPolarHBondContact O-CG1 3.45Å; L545-I549 PolarHBondContact O-N 2.73Å
546	V	95.1	Very high	91.7	Very high	15 Å²	15	56.6 Å²	56.6	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-39.4	178.6	171.5	0	0	0	0	111.5	R488 M492 E542 I550	R488-V546 HydrophobicContact CB-CG2 3.71Å; R488-V546 HydrophobicContact CG-CG2 4.15Å; M492-V546 HydrophobicContact CE-CG1 4.37Å; M492-V546 HydrophobicContact CE-CG2 4.11Å; M492-V546 HydrophobicContact SD-CG1 4.5Å; E542-V546 HydrophobicContact CG-CG2 4.32Å; E542-V546 VanDerWaalsContact O-CB 3.3Å; E542-V546 WeakPolarHBondContact O-CB 3.48Å; E542-V546 VanDerWaalsContact O-CG2 3.23Å; E542-V546 WeakPolarHBondContact O-CG2 3.43Å; E542-V546 PolarHBondContact O-N 3.27Å; V546-I550 HydrophobicContact CG1-CD1 3.72Å; V546-I550 HydrophobicContact CG1-CG1 4.47Å; V546-I550 WeakPolarHBondContact O-CB 3.12Å; V546-I550 VanDerWaalsContact O-CG1 3.26Å; V546-I550 WeakPolarHBondContact O-CG1 3.28Å; V546-I550 PolarHBondContact O-N 3.45Å
547	Q	95.4	Very high	92	Very high	135 Å²	135	57.1 Å²	57.1	63%	0.631	31%	0.312	S	S	*	.	H	α-helix	trans	-61.3	-49	176.6	179.4	172	-17	0	0	111.8	D543 V544 L545 I550 M551	D543-Q547 WeakPolarHBondContact O-CB 3.41Å; D543-Q547 PolarHBondContact O-N 2.84Å; V544-Q547 PolarHBondContact O-N 3.02Å; L545-Q547 PolarHBondContact O-N 2.56Å; Q547-I550 PolarHBondContact O-N 2.93Å; Q547-M551 WeakPolarHBondContact O-CB 3.47Å; Q547-M551 VanDerWaalsContact O-CG 3.28Å; Q547-M551 WeakPolarHBondContact O-CG 3.4Å; Q547-M551 PolarHBondContact O-N 3.15Å
548	E	96.1	Very high	92.5	Very high	45 Å²	45	54.5 Å²	54.5	21%	0.21	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-43.8	178	-84.7	-75.8	140.6	0	0	112.5	V507 K510 V544 L545 I550 M551 L552	V507-E548 HydrophobicContact CB-CB 4.44Å; V507-E548 HydrophobicContact CG1-CB 3.61Å; V507-E548 HydrophobicContact CG1-CG 4.37Å; V507-E548 HydrophobicContact CG2-CB 3.88Å; K510-E548 WeakPolarHBondContact CD-OE2 3.47Å; K510-E548 IonicContact NZ-OE1 3.32Å; K510-E548 PolarHBondContact NZ-OE1 3.11Å; K510-E548 IonicContact NZ-OE2 2.69Å; K510-E548 PolarHBondContact NZ-OE2 3.45Å; V544-E548 PolarHBondContact O-N 3.19Å; V544-E548 VanDerWaalsContact O-N 3.14Å; L545-E548 PolarHBondContact O-N 2.91Å; E548-I550 VanDerWaalsContact C-N 3.26Å; E548-I550 PolarHBondContact O-N 3.03Å; E548-M551 PolarHBondContact O-N 2.98Å; E548-L552 PolarHBondContact O-N 3.3Å
549	I	97.1	Very high	93.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-41.6	174.7	-72.9	162.2	0	0	0	111	V489 M492 R503 V504 V507 L545	V489-I549 HydrophobicContact CG2-CD1 4.26Å; M492-I549 HydrophobicContact CE-CD1 4.2Å; M492-I549 HydrophobicContact CE-CG2 3.91Å; M492-I549 HydrophobicContact SD-CG2 4.31Å; R503-I549 HydrophobicContact CB-CG2 4.1Å; R503-I549 WeakPolarHBondContact CD-O 3.25Å; R503-I549 PolarHBondContact NH1-O 3.13Å; V504-I549 HydrophobicContact CB-CD1 4.41Å; V504-I549 HydrophobicContact CG2-CD1 3.58Å; V504-I549 HydrophobicContact CG2-CG1 4.08Å; V507-I549 HydrophobicContact CG2-CG1 4.3Å; L545-I549 HydrophobicContact CD1-CD1 3.88Å; L545-I549 HydrophobicContact CD1-CG1 4.25Å; L545-I549 HydrophobicContact CG-CD1 3.69Å; L545-I549 HydrophobicContact CG-CG1 4.5Å; L545-I549 WeakPolarHBondContact O-CB 3.47Å; L545-I549 WeakPolarHBondContact O-CD1 3.49Å; L545-I549 WeakPolarHBondContact O-CG1 3.45Å; L545-I549 PolarHBondContact O-N 2.73Å
550	I	95.8	Very high	93.5	Very high	46 Å²	46	51.5 Å²	51.5	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-44.6	179.8	-77.7	170.3	0	0	0	111.1	R307 M492 R503 V546 Q547 E548	R307-I550 HydrophobicContact CB-CD1 3.9Å; R307-I550 HydrophobicContact CG-CD1 3.99Å; R307-I550 HydrophobicContact CG-CG1 4.22Å; M492-I550 HydrophobicContact SD-CG1 4.46Å; R503-I550 PolarHBondContact NH1-O 2.93Å; V546-I550 HydrophobicContact CG1-CD1 3.72Å; V546-I550 HydrophobicContact CG1-CG1 4.47Å; V546-I550 WeakPolarHBondContact O-CB 3.12Å; V546-I550 VanDerWaalsContact O-CG1 3.26Å; V546-I550 WeakPolarHBondContact O-CG1 3.28Å; V546-I550 PolarHBondContact O-N 3.45Å; Q547-I550 PolarHBondContact O-N 2.93Å; E548-I550 VanDerWaalsContact C-N 3.26Å; E548-I550 PolarHBondContact O-N 3.03Å
551	M	95.8	Very high	93.8	Very high	133 Å²	133	57.7 Å²	57.7	66%	0.655	30%	0.301	S	S	*	.	H	α-helix	trans	-72.2	-27.7	-176.6	-70.6	-78	91.4	0	0	114.2	Q547 E548	Q547-M551 WeakPolarHBondContact O-CB 3.47Å; Q547-M551 VanDerWaalsContact O-CG 3.28Å; Q547-M551 WeakPolarHBondContact O-CG 3.4Å; Q547-M551 PolarHBondContact O-N 3.15Å; E548-M551 PolarHBondContact O-N 2.98Å
552	L	96.1	Very high	94.1	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	29%	0.293	C	S	.	.			trans	-59.1	125.1	-176.5	-163.3	76.3	0	0	0	112	T450 R503 L506 E548 V554	T450-L552 HydrophobicContact CG2-CD1 4.07Å; T450-L552 HydrophobicContact CG2-CD2 4.47Å; T450-L552 HydrophobicContact CG2-CG 4.35Å; R503-L552 HydrophobicContact CB-CD2 4.3Å; R503-L552 HydrophobicContact CG-CB 4.48Å; R503-L552 HydrophobicContact CG-CD2 4.14Å; R503-L552 PolarHBondContact NH1-O 3.31Å; R503-L552 VanDerWaalsContact NH1-O 3.09Å; R503-L552 PolarHBondContact NH2-O 3.4Å; L506-L552 HydrophobicContact CB-CD2 3.66Å; L506-L552 HydrophobicContact CD1-CD2 4.01Å; E548-L552 PolarHBondContact O-N 3.3Å; L552-V554 HydrophobicContact CD2-CB 4.41Å; L552-V554 HydrophobicContact CD2-CG2 3.8Å; L552-V554 HydrophobicContact CG-CG2 4.11Å; L552-V554 PolarHBondContact O-N 2.55Å
553	P	93.6	Very high	94.3	Very high	105 Å²	105	53.6 Å²	53.6	68%	0.682	29%	0.287	S	S	*	.			trans	-80.7	31.8	-171.5	32.7	-37.2	0	0	0	114.6
554	V	96	Very high	94.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	29%	0.289	C	S	.	.			trans	-85.7	119.8	176.2	176.2	0	0	0	0	109.9	L446 T450 R503 L506 L552 I559	L446-V554 HydrophobicContact CD1-CG1 4.26Å; L446-V554 HydrophobicContact CD2-CG1 4.42Å; T450-V554 HydrophobicContact CG2-CG2 3.84Å; R503-V554 HydrophobicContact CG-CB 4.27Å; R503-V554 VanDerWaalsContact CZ-O 3.31Å; R503-V554 PolarHBondContact NE-O 3.09Å; R503-V554 PolarHBondContact NH2-O 2.93Å; L506-V554 HydrophobicContact CD1-CG2 3.84Å; L552-V554 HydrophobicContact CD2-CB 4.41Å; L552-V554 HydrophobicContact CD2-CG2 3.8Å; L552-V554 HydrophobicContact CG-CG2 4.11Å; L552-V554 PolarHBondContact O-N 2.55Å; V554-I559 HydrophobicContact CG1-CD1 3.92Å; V554-I559 HydrophobicContact CG1-CG1 3.96Å
555	T	94.6	Very high	94.7	Very high	77 Å²	77	52.6 Å²	52.6	47%	0.472	29%	0.288	S	S	.	.			trans	-109	160.6	-178.9	60.5	0	0	0	0	112	L558 I559	T555-L558 WeakPolarHBondContact O-CB 3.46Å; T555-L558 PolarHBondContact O-N 2.92Å; T555-L558 VanDerWaalsContact O-N 3.1Å; T555-L558 WeakPolarHBondContact OG1-CB 3.49Å; T555-L558 PolarHBondContact OG1-N 2.69Å; T555-I559 PolarHBondContact O-N 3.39Å; T555-I559 VanDerWaalsContact O-N 3.16Å
556	E	92	Very high	94.7	Very high	53 Å²	53	52.9 Å²	52.9	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-51.6	-55.4	173.9	-173.3	167.6	146.4	0	0	112.4	K499 L558 I559 E560 R583 H586	K499-E556 HydrophobicContact CD-CB 4.15Å; K499-E556 IonicContact NZ-OE2 2.75Å; K499-E556 PolarHBondContact NZ-OE2 3.13Å; E556-L558 PolarHBondContact O-N 3.31Å; E556-L558 VanDerWaalsContact O-N 3.12Å; E556-I559 WeakPolarHBondContact O-CA 3.45Å; E556-I559 WeakPolarHBondContact O-CB 3.4Å; E556-I559 PolarHBondContact O-N 3.15Å; E556-E560 PolarHBondContact O-N 3.34Å; E556-R583 IonicContact OE1-NH2 2.93Å; E556-R583 PolarHBondContact OE1-NH2 3.23Å; E556-H586 VanDerWaalsContact CD-CD2 3.42Å; E556-H586 VanDerWaalsContact CD-CG 3.43Å; E556-H586 HydrophobicContact CG-CB 3.89Å; E556-H586 WeakPolarHBondContact CG-CD2 3.34Å; E556-H586 WeakPolarHBondContact OE1-CB 3.19Å; E556-H586 IonicContact OE1-CD2 3.23Å; E556-H586 PolarHBondContact OE1-CD2 3.21Å; E556-H586 VanDerWaalsContact OE1-CD2 3.24Å; E556-H586 IonicContact OE1-CG 3.77Å; E556-H586 WeakPolarHBondContact OE2-CB 3.49Å; E556-H586 IonicContact OE2-CG 2.78Å
557	A	92.9	Very high	94.6	Very high	64 Å²	64	53.3 Å²	53.3	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-19.2	178.2	0	0	0	0	0	114.1	K561	A557-K561 WeakPolarHBondContact O-CB 3.05Å; A557-K561 PolarHBondContact O-N 2.96Å
558	L	95	Very high	94.5	Very high	32 Å²	32	53.2 Å²	53.2	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-77	-39	171	-177.4	63.9	0	0	0	111.1	L446 T555 E556 E562	L446-L558 HydrophobicContact CD2-CD2 3.7Å; L446-L558 HydrophobicContact CD2-CG 3.72Å; T555-L558 WeakPolarHBondContact O-CB 3.46Å; T555-L558 PolarHBondContact O-N 2.92Å; T555-L558 VanDerWaalsContact O-N 3.1Å; T555-L558 WeakPolarHBondContact OG1-CB 3.49Å; T555-L558 PolarHBondContact OG1-N 2.69Å; E556-L558 PolarHBondContact O-N 3.31Å; E556-L558 VanDerWaalsContact O-N 3.12Å; L558-E562 WeakPolarHBondContact O-CB 3.5Å; L558-E562 PolarHBondContact O-N 3.49Å
559	I	94.5	Very high	94.4	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-47.9	175.5	-62.5	164.1	0	0	0	110.4	I442 L446 K499 F502 V554 T555 E556 K561 E562 C563	I442-I559 HydrophobicContact CG2-CG2 4.35Å; L446-I559 HydrophobicContact CD1-CG1 4.03Å; K499-I559 HydrophobicContact CB-CD1 3.48Å; K499-I559 VanDerWaalsContact CB-CD1 3.48Å; F502-I559 HydrophobicContact CB-CD1 4.18Å; F502-I559 HydrophobicContact CD2-CD1 3.9Å; F502-I559 HydrophobicContact CD2-CG1 4.49Å; F502-I559 HydrophobicContact CD2-CG2 4.32Å; F502-I559 HydrophobicContact CE2-CG2 3.94Å; F502-I559 HydrophobicContact CG-CD1 4.14Å; F502-I559 HydrophobicContact CZ-CG2 4.23Å; V554-I559 HydrophobicContact CG1-CD1 3.92Å; V554-I559 HydrophobicContact CG1-CG1 3.96Å; T555-I559 PolarHBondContact O-N 3.39Å; T555-I559 VanDerWaalsContact O-N 3.16Å; E556-I559 WeakPolarHBondContact O-CA 3.45Å; E556-I559 WeakPolarHBondContact O-CB 3.4Å; E556-I559 PolarHBondContact O-N 3.15Å; I559-K561 VanDerWaalsContact C-N 3.29Å; I559-K561 PolarHBondContact O-N 3.36Å; I559-E562 PolarHBondContact O-N 2.91Å; I559-C563 WeakPolarHBondContact O-CB 3.46Å; I559-C563 PolarHBondContact O-N 3.45Å
560	E	92.7	Very high	94.1	Very high	63 Å²	63	56.1 Å²	56.1	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-42	175.2	-70.5	-179.1	128.3	0	0	111.8	E556 S564 R583	E556-E560 PolarHBondContact O-N 3.34Å; E560-S564 WeakPolarHBondContact O-CB 3.49Å; E560-S564 PolarHBondContact O-N 3.28Å; E560-S564 PolarHBondContact O-OG 3.42Å; E560-R583 IonicContact OE1-CZ 2.74Å; E560-R583 VanDerWaalsContact OE1-CZ 3.23Å; E560-R583 IonicContact OE1-NE 3.1Å; E560-R583 PolarHBondContact OE1-NE 3.48Å; E560-R583 IonicContact OE1-NH2 2.58Å; E560-R583 PolarHBondContact OE1-NH2 3.36Å
561	K	94.1	Very high	93.9	Very high	140 Å²	140	58.8 Å²	58.8	61%	0.609	31%	0.307	S	S	*	.	H	α-helix	trans	-65	-44.6	176.7	176.9	178.5	177.3	178.4	0	112.2	A557 I559 S564 V565	A557-K561 WeakPolarHBondContact O-CB 3.05Å; A557-K561 PolarHBondContact O-N 2.96Å; I559-K561 VanDerWaalsContact C-N 3.29Å; I559-K561 PolarHBondContact O-N 3.36Å; K561-S564 WeakPolarHBondContact O-CB 3.23Å; K561-S564 PolarHBondContact O-N 3.32Å; K561-V565 WeakPolarHBondContact O-CG2 3.47Å; K561-V565 PolarHBondContact O-N 3.27Å
562	E	95.3	Very high	93.7	Very high	29 Å²	29	59.2 Å²	59.2	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-38.6	-179.5	-164.7	60.9	-128.8	0	0	110.7	I442 S445 L558 I559 S564 V565 Q566	I442-E562 HydrophobicContact CB-CG 4.46Å; I442-E562 HydrophobicContact CG2-CB 4.13Å; I442-E562 HydrophobicContact CG2-CG 4.15Å; S445-E562 WeakPolarHBondContact CB-OE1 3.44Å; L558-E562 WeakPolarHBondContact O-CB 3.5Å; L558-E562 PolarHBondContact O-N 3.49Å; I559-E562 PolarHBondContact O-N 2.91Å; E562-S564 VanDerWaalsContact C-N 3.32Å; E562-S564 PolarHBondContact O-N 3.15Å; E562-V565 CarbonylContact O-C 3.57Å; E562-V565 WeakPolarHBondContact O-CA 3.24Å; E562-V565 WeakPolarHBondContact O-CB 3.45Å; E562-V565 PolarHBondContact O-N 3.17Å; E562-Q566 HydrophobicContact CG-CG 4.4Å; E562-Q566 WeakPolarHBondContact O-CG 3.35Å; E562-Q566 PolarHBondContact O-N 3.01Å; E562-Q566 PolarHBondContact OE1-NE2 3.09Å
563	C	93.7	Very high	93.5	Very high	26 Å²	26	62.9 Å²	62.9	18%	0.176	33%	0.334	C	S	.	.	H	α-helix	trans	-53.2	-48.9	167.9	-177	0	0	0	0	111.6	I442 I559 V565 Q566 V567	I442-C563 HydrophobicContact CD1-CB 3.57Å; I442-C563 HydrophobicContact CG1-CB 4.41Å; I559-C563 WeakPolarHBondContact O-CB 3.46Å; I559-C563 PolarHBondContact O-N 3.45Å; C563-V565 PolarHBondContact O-N 3Å; C563-Q566 PolarHBondContact O-N 3.06Å; C563-Q566 VanDerWaalsContact O-N 3.16Å; C563-V567 WeakPolarHBondContact O-CB 3.31Å; C563-V567 WeakPolarHBondContact O-CG2 3.33Å; C563-V567 PolarHBondContact O-N 2.97Å
564	S	93.5	Very high	93.2	Very high	73 Å²	73	65 Å²	65	51%	0.51	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-10.4	175	-55.6	0	0	0	0	114.5	E560 K561 E562 R568	E560-S564 WeakPolarHBondContact O-CB 3.49Å; E560-S564 PolarHBondContact O-N 3.28Å; E560-S564 PolarHBondContact O-OG 3.42Å; K561-S564 WeakPolarHBondContact O-CB 3.23Å; K561-S564 PolarHBondContact O-N 3.32Å; E562-S564 VanDerWaalsContact C-N 3.32Å; E562-S564 PolarHBondContact O-N 3.15Å; S564-R568 PolarHBondContact O-NH1 3.04Å; S564-R568 PolarHBondContact O-NH2 3.14Å
565	V	95.2	Very high	92.8	Very high	46 Å²	46	66.5 Å²	66.5	28%	0.279	34%	0.344	S	S	.	.	H	α-helix	trans	-95.6	-47.3	171.5	167.8	0	0	0	0	110.8	K561 E562 C563 R568 K569	K561-V565 WeakPolarHBondContact O-CG2 3.47Å; K561-V565 PolarHBondContact O-N 3.27Å; E562-V565 CarbonylContact O-C 3.57Å; E562-V565 WeakPolarHBondContact O-CA 3.24Å; E562-V565 WeakPolarHBondContact O-CB 3.45Å; E562-V565 PolarHBondContact O-N 3.17Å; C563-V565 PolarHBondContact O-N 3Å; V565-R568 PolarHBondContact O-N 3.27Å; V565-K569 PolarHBondContact O-N 2.88Å
566	Q	94.8	Very high	92.3	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.028	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-40.7	-177.6	-55.9	-56.5	-17.5	0	0	112.5	L438 E441 I442 S445 E562 C563 R568 K569 W570	L438-Q566 HydrophobicContact CD1-CB 3.66Å; E441-Q566 HydrophobicContact CB-CB 4.19Å; E441-Q566 HydrophobicContact CB-CG 3.91Å; I442-Q566 HydrophobicContact CG1-CB 4.15Å; I442-Q566 HydrophobicContact CG1-CG 3.75Å; S445-Q566 PolarHBondContact OG-NE2 2.71Å; E562-Q566 HydrophobicContact CG-CG 4.4Å; E562-Q566 WeakPolarHBondContact O-CG 3.35Å; E562-Q566 PolarHBondContact O-N 3.01Å; E562-Q566 PolarHBondContact OE1-NE2 3.09Å; C563-Q566 PolarHBondContact O-N 3.06Å; C563-Q566 VanDerWaalsContact O-N 3.16Å; Q566-R568 PolarHBondContact O-N 3.29Å; Q566-K569 PolarHBondContact O-N 3.07Å; Q566-K569 VanDerWaalsContact O-N 3.16Å; Q566-K569 VanDerWaalsContact OE1-CD 3.32Å; Q566-W570 WeakPolarHBondContact O-CB 3.47Å; Q566-W570 PolarHBondContact O-N 3.31Å
567	V	92.8	Very high	91.8	Very high	25 Å²	25	66.6 Å²	66.6	15%	0.152	34%	0.339	C	S	.	.	H	α-helix	trans	-56.7	-37.4	173.9	172.1	0	0	0	0	111.5	L438 C563 W570 K571 L577 P581	L438-V567 HydrophobicContact CD1-CG2 3.88Å; L438-V567 HydrophobicContact CD2-CG2 3.65Å; L438-V567 HydrophobicContact CG-CG2 4.4Å; C563-V567 WeakPolarHBondContact O-CB 3.31Å; C563-V567 WeakPolarHBondContact O-CG2 3.33Å; C563-V567 PolarHBondContact O-N 2.97Å; V567-W570 PolarHBondContact O-N 2.84Å; V567-K571 WeakPolarHBondContact O-CG 3.34Å; V567-K571 PolarHBondContact O-N 3.47Å; V567-L577 HydrophobicContact CG1-CD1 4.19Å; V567-L577 HydrophobicContact CG2-CD1 4.25Å; V567-P581 HydrophobicContact CG1-CG 4.43Å; V567-P581 HydrophobicContact CG2-CG 3.91Å
568	R	92.6	Very high	91	Very high	132 Å²	132	69.1 Å²	69.1	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-67.5	-48.5	177.4	-166.5	-167.2	-63.9	80	17.4	111.4	S564 V565 Q566 W570 K571 E572	S564-R568 PolarHBondContact O-NH1 3.04Å; S564-R568 PolarHBondContact O-NH2 3.14Å; V565-R568 PolarHBondContact O-N 3.27Å; Q566-R568 PolarHBondContact O-N 3.29Å; R568-W570 VanDerWaalsContact C-N 3.26Å; R568-W570 PolarHBondContact O-N 3.35Å; R568-K571 PolarHBondContact O-N 2.71Å; R568-E572 WeakPolarHBondContact CD-OE1 3.45Å; R568-E572 VanDerWaalsContact CG-OE1 3.3Å; R568-E572 WeakPolarHBondContact CG-OE1 3.45Å; R568-E572 VanDerWaalsContact O-CG 3.32Å; R568-E572 WeakPolarHBondContact O-CG 3.29Å; R568-E572 PolarHBondContact O-N 3.43Å
569	K	93.9	Very high	89.8	Confident	87 Å²	87	70.3 Å²	70.3	38%	0.378	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-36.9	176.1	-63.4	172.7	-167.2	163.3	0	112	V565 Q566 E572 S573	V565-K569 PolarHBondContact O-N 2.88Å; Q566-K569 PolarHBondContact O-N 3.07Å; Q566-K569 VanDerWaalsContact O-N 3.16Å; Q566-K569 VanDerWaalsContact OE1-CD 3.32Å; K569-E572 CarbonylContact O-C 3.59Å; K569-E572 PolarHBondContact O-N 2.96Å; K569-S573 WeakPolarHBondContact O-CB 3.49Å; K569-S573 PolarHBondContact O-N 3.2Å; K569-S573 PolarHBondContact O-OG 3.27Å
570	W	92.2	Very high	88.6	Confident	20 Å²	20	77.5 Å²	77.5	8%	0.076	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-50	175.7	-166.6	-72.7	0	0	0	110.1	E434 Q437 Q566 V567 R568 E572 S573 R574 G575 L577	E434-W570 HydrophobicContact CG-CZ2 4.34Å; Q437-W570 HydrophobicContact CB-CH2 3.58Å; Q437-W570 HydrophobicContact CB-CZ3 3.83Å; Q437-W570 HydrophobicContact CG-CH2 4.44Å; Q566-W570 WeakPolarHBondContact O-CB 3.47Å; Q566-W570 PolarHBondContact O-N 3.31Å; V567-W570 PolarHBondContact O-N 2.84Å; R568-W570 VanDerWaalsContact C-N 3.26Å; R568-W570 PolarHBondContact O-N 3.35Å; W570-E572 VanDerWaalsContact C-N 3.26Å; W570-E572 PolarHBondContact O-N 3.27Å; W570-S573 PolarHBondContact O-N 2.82Å; W570-R574 HydrophobicContact CG-CB 4.44Å; W570-R574 PolarHBondContact O-N 3.03Å; W570-G575 PolarHBondContact O-N 2.85Å; W570-L577 HydrophobicContact CD2-CD2 3.88Å; W570-L577 VanDerWaalsContact CE2-CD2 3.43Å; W570-L577 HydrophobicContact CG-CD2 3.99Å; W570-L577 HydrophobicContact CG-CG 4.2Å; W570-L577 HydrophobicContact CZ2-CD2 3.9Å; W570-L577 VanDerWaalsContact NE1-CD2 3.3Å
571	K	91.4	Very high	87.3	Confident	102 Å²	102	77.1 Å²	77.1	44%	0.443	39%	0.387	S	S	.	.	H	α-helix	trans	-58.6	-34.9	173.3	-67.8	-167.5	-175.2	-161	0	113.7	V567 R568 G575 E576	V567-K571 WeakPolarHBondContact O-CG 3.34Å; V567-K571 PolarHBondContact O-N 3.47Å; R568-K571 PolarHBondContact O-N 2.71Å; K571-G575 VanDerWaalsContact CA-O 3.31Å; K571-G575 WeakPolarHBondContact CA-O 3.35Å; K571-E576 WeakPolarHBondContact CE-OE1 3.23Å; K571-E576 IonicContact NZ-OE1 2.63Å; K571-E576 PolarHBondContact NZ-OE1 3Å
572	E	91.8	Very high	85.9	Confident	142 Å²	142	72.7 Å²	72.7	66%	0.664	38%	0.381	S	S	*	.	H	α-helix	trans	-73.9	-17.3	175.7	-70.1	164.9	-168.9	0	0	114.6	R568 K569 W570	R568-E572 WeakPolarHBondContact CD-OE1 3.45Å; R568-E572 VanDerWaalsContact CG-OE1 3.3Å; R568-E572 WeakPolarHBondContact CG-OE1 3.45Å; R568-E572 VanDerWaalsContact O-CG 3.32Å; R568-E572 WeakPolarHBondContact O-CG 3.29Å; R568-E572 PolarHBondContact O-N 3.43Å; K569-E572 CarbonylContact O-C 3.59Å; K569-E572 PolarHBondContact O-N 2.96Å; W570-E572 VanDerWaalsContact C-N 3.26Å; W570-E572 PolarHBondContact O-N 3.27Å
573	S	91	Very high	84.7	Confident	93 Å²	93	77.9 Å²	77.9	65%	0.65	40%	0.399	S	S	*	.	H	α-helix	trans	-129.1	-25.6	-169.1	60.1	0	0	0	0	116.4	K569 W570	K569-S573 WeakPolarHBondContact O-CB 3.49Å; K569-S573 PolarHBondContact O-N 3.2Å; K569-S573 PolarHBondContact O-OG 3.27Å; W570-S573 PolarHBondContact O-N 2.82Å
574	R	87.2	Confident	83.9	Confident	150 Å²	150	78 Å²	78	57%	0.566	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-11.1	-179.7	-63	-174.4	-178	-159.9	6.1	113.5	W570	W570-R574 HydrophobicContact CG-CB 4.44Å; W570-R574 PolarHBondContact O-N 3.03Å
575	G	87.9	Confident	83.2	Confident	32 Å²	32	75.6 Å²	75.6	33%	0.33	38%	0.377	S	S	.	.			trans	94	-168.3	-173.8	0	0	0	0	0	112.9	W570 K571	W570-G575 PolarHBondContact O-N 2.85Å; K571-G575 VanDerWaalsContact CA-O 3.31Å; K571-G575 WeakPolarHBondContact CA-O 3.35Å
576	E	84.6	Confident	82.6	Confident	124 Å²	124	74 Å²	74	58%	0.579	37%	0.367	S	S	*	.	S	Bend	trans	-67.7	138.2	178.3	-174.1	135.8	-111.2	0	0	111.2	K571	K571-E576 WeakPolarHBondContact CE-OE1 3.23Å; K571-E576 IonicContact NZ-OE1 2.63Å; K571-E576 PolarHBondContact NZ-OE1 3Å
577	L	80.6	Confident	82.4	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.037	37%	0.366	C	S	.	.			trans	-62.3	133.3	170	-72.3	156.7	0	0	0	109.1	E434 L438 V567 W570 H579 P581	E434-L577 HydrophobicContact CB-CD2 4.07Å; E434-L577 HydrophobicContact CG-CD2 4.33Å; E434-L577 WeakPolarHBondContact OE2-CA 3.3Å; E434-L577 WeakPolarHBondContact OE2-CB 3.43Å; E434-L577 VanDerWaalsContact OE2-CD2 3.27Å; E434-L577 WeakPolarHBondContact OE2-CD2 3.48Å; L438-L577 HydrophobicContact CD2-CD1 4.31Å; V567-L577 HydrophobicContact CG1-CD1 4.19Å; V567-L577 HydrophobicContact CG2-CD1 4.25Å; W570-L577 HydrophobicContact CD2-CD2 3.88Å; W570-L577 VanDerWaalsContact CE2-CD2 3.43Å; W570-L577 HydrophobicContact CG-CD2 3.99Å; W570-L577 HydrophobicContact CG-CG 4.2Å; W570-L577 HydrophobicContact CZ2-CD2 3.9Å; W570-L577 VanDerWaalsContact NE1-CD2 3.3Å; L577-H579 WeakPolarHBondContact CB-O 3.42Å; L577-P581 HydrophobicContact CD1-CG 3.95Å
578	T	77	Confident	82.5	Confident	118 Å²	118	72.8 Å²	72.8	72%	0.724	36%	0.36	S	S	*	.	S	Bend	trans	-65.6	-43.5	173.2	56.4	0	0	0	0	110.3	E434 K580	E434-T578 PolarHBondContact OE1-N 3.09Å; E434-T578 VanDerWaalsContact OE1-N 3.1Å; E434-T578 PolarHBondContact OE1-OG1 2.86Å; E434-T578 PolarHBondContact OE2-N 3.11Å; E434-T578 PolarHBondContact OE2-OG1 2.98Å; T578-K580 PolarHBondContact O-N 2.66Å
579	H	69.8	Low	82.5	Confident	56 Å²	56	72 Å²	72	26%	0.259	36%	0.357	S	S	.	.	S	Bend	trans	-87.1	106.3	168.3	174.1	-104.1	0	0	0	110.5	P426 E434 L577 P581	P426-H579 PolarHBondContact O-CE1 3.12Å; E434-H579 PolarHBondContact OE2-N 3.15Å; E434-H579 VanDerWaalsContact OE2-N 3.16Å; L577-H579 WeakPolarHBondContact CB-O 3.42Å; H579-P581 VanDerWaalsContact O-CD 3.27Å; H579-P581 WeakPolarHBondContact O-CD 3.48Å
580	K	68.9	Low	82.5	Confident	157 Å²	157	68.5 Å²	68.5	68%	0.683	34%	0.344	S	S	*	.			trans	-63.6	115.4	173.8	-73.5	175.6	-179.3	167.8	0	109.5	T578 G582	T578-K580 PolarHBondContact O-N 2.66Å; K580-G582 PolarHBondContact O-N 2.93Å
581	P	65.9	Low	82.4	Confident	54 Å²	54	67.9 Å²	67.9	35%	0.351	34%	0.342	S	S	.	.			trans	-70.1	97.7	-173.1	27.2	-33.8	0	0	0	111	L438 V567 L577 H579	L438-P581 HydrophobicContact CD2-CB 4.35Å; V567-P581 HydrophobicContact CG1-CG 4.43Å; V567-P581 HydrophobicContact CG2-CG 3.91Å; L577-P581 HydrophobicContact CD1-CG 3.95Å; H579-P581 VanDerWaalsContact O-CD 3.27Å; H579-P581 WeakPolarHBondContact O-CD 3.48Å
582	G	64.2	Low	82.5	Confident	47 Å²	47	64.2 Å²	64.2	49%	0.485	33%	0.326	S	S	.	.			trans	-64.1	162.1	175.8	0	0	0	0	0	112.8	K580 R584	K580-G582 PolarHBondContact O-N 2.93Å; G582-R584 PolarHBondContact O-N 2.8Å
583	R	69.4	Low	82.5	Confident	138 Å²	138	60 Å²	60	52%	0.521	31%	0.307	S	S	.	.			trans	-73	101	175.1	-172.2	178.5	-172.4	-84.6	-3.5	110.2	E556 E560	E556-R583 IonicContact OE1-NH2 2.93Å; E556-R583 PolarHBondContact OE1-NH2 3.23Å; E560-R583 IonicContact OE1-CZ 2.74Å; E560-R583 VanDerWaalsContact OE1-CZ 3.23Å; E560-R583 IonicContact OE1-NE 3.1Å; E560-R583 PolarHBondContact OE1-NE 3.48Å; E560-R583 IonicContact OE1-NH2 2.58Å; E560-R583 PolarHBondContact OE1-NH2 3.36Å
584	R	77.6	Confident	82.4	Confident	29 Å²	29	62.2 Å²	62.2	11%	0.109	30%	0.302	C	S	.	.			trans	-52.2	140.6	169.6	-79.5	-175.2	-89.6	178.1	-3	112.2	Y424 P426 Y428 D439 G582 H586	Y424-R584 WeakPolarHBondContact O-CD 3.36Å; P426-R584 HydrophobicContact CG-CG 3.56Å; Y428-R584 PolarHBondContact OH-NH1 3.49Å; D439-R584 VanDerWaalsContact CG-NH2 3.27Å; D439-R584 IonicContact OD1-CZ 3.24Å; D439-R584 IonicContact OD1-NH1 3.13Å; D439-R584 IonicContact OD1-NH2 3.57Å; D439-R584 PolarHBondContact OD1-NH2 2.89Å; D439-R584 IonicContact OD2-CZ 3.24Å; D439-R584 VanDerWaalsContact OD2-CZ 3.3Å; D439-R584 IonicContact OD2-NH1 3.85Å; D439-R584 PolarHBondContact OD2-NH1 2.83Å; D439-R584 IonicContact OD2-NH2 2.72Å; D439-R584 PolarHBondContact OD2-NH2 2.77Å; G582-R584 PolarHBondContact O-N 2.8Å; R584-H586 PolarHBondContact O-CD2 3.02Å
585	L	77.6	Confident	82.5	Confident	22 Å²	22	57.2 Å²	57.2	12%	0.115	28%	0.284	C	S	.	.			trans	-88.3	112.2	175.4	-60.1	-175.3	0	0	0	108.5	K423 G587 A590 I591	K423-L585 HydrophobicContact CB-CB 4.44Å; K423-L585 HydrophobicContact CB-CD1 4.2Å; K423-L585 PolarHBondContact O-N 2.82Å; L585-G587 PolarHBondContact O-N 2.97Å; L585-A590 HydrophobicContact CB-CB 4.33Å; L585-I591 HydrophobicContact CB-CG1 3.83Å; L585-I591 HydrophobicContact CD1-CB 4.37Å; L585-I591 HydrophobicContact CD1-CG1 3.9Å; L585-I591 HydrophobicContact CD1-CG2 4.35Å; L585-I591 HydrophobicContact CG-CG1 4.49Å
586	H	84.3	Confident	82.5	Confident	13 Å²	13	61.6 Å²	61.6	6%	0.06	29%	0.291	C	S	.	.			trans	-82.1	56.8	-173	-65.5	-70.9	0	0	0	113	E496 K499 E556 R584	E496-H586 CarbonylContact C-O 3.59Å; E496-H586 VanDerWaalsContact C-O 3.32Å; E496-H586 CarbonylContact O-C 3.58Å; K499-H586 PolarHBondContact NZ-O 3.01Å; E556-H586 VanDerWaalsContact CD-CD2 3.42Å; E556-H586 VanDerWaalsContact CD-CG 3.43Å; E556-H586 HydrophobicContact CG-CB 3.89Å; E556-H586 WeakPolarHBondContact CG-CD2 3.34Å; E556-H586 WeakPolarHBondContact OE1-CB 3.19Å; E556-H586 IonicContact OE1-CD2 3.23Å; E556-H586 PolarHBondContact OE1-CD2 3.21Å; E556-H586 VanDerWaalsContact OE1-CD2 3.24Å; E556-H586 IonicContact OE1-CG 3.77Å; E556-H586 WeakPolarHBondContact OE2-CB 3.49Å; E556-H586 IonicContact OE2-CG 2.78Å; R584-H586 PolarHBondContact O-CD2 3.02Å
587	G	90.7	Very high	82.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	85.8	176.6	178.1	0	0	0	0	0	114.2	F494 L585 R589 A590 I591	F494-G587 WeakPolarHBondContact O-CA 3.48Å; L585-G587 PolarHBondContact O-N 2.97Å; G587-R589 PolarHBondContact O-N 3.1Å; G587-A590 WeakPolarHBondContact O-CB 3.24Å; G587-A590 PolarHBondContact O-N 3.4Å; G587-I591 PolarHBondContact O-N 3.08Å
588	T	94.2	Very high	83	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-37.1	-46.6	-171	-43.1	0	0	0	0	115.2	W291 V295 L322 F494 C495 A590 I591 F592	W291-T588 HydrophobicContact CZ2-CG2 3.94Å; V295-T588 HydrophobicContact CG1-CG2 4.3Å; V295-T588 HydrophobicContact CG2-CG2 4.11Å; L322-T588 WeakPolarHBondContact CA-OG1 3.49Å; L322-T588 WeakPolarHBondContact CB-OG1 3.48Å; L322-T588 HydrophobicContact CD2-CG2 4.29Å; L322-T588 VanDerWaalsContact CD2-OG1 3.22Å; L322-T588 WeakPolarHBondContact CD2-OG1 3.32Å; L322-T588 WeakPolarHBondContact O-CA 3.22Å; L322-T588 VanDerWaalsContact O-CB 3.28Å; L322-T588 WeakPolarHBondContact O-CB 3.47Å; L322-T588 PolarHBondContact O-OG1 2.85Å; F494-T588 PolarHBondContact O-N 3.17Å; F494-T588 PolarHBondContact O-OG1 2.84Å; C495-T588 PolarHBondContact O-N 3.07Å; T588-A590 PolarHBondContact O-N 3.31Å; T588-I591 PolarHBondContact O-N 3.5Å; T588-F592 WeakPolarHBondContact O-CB 3.16Å; T588-F592 PolarHBondContact O-N 2.99Å
589	R	93.4	Very high	83.4	Confident	116 Å²	116	60 Å²	60	44%	0.438	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-38.4	-178	-179.9	173	175.6	172.1	2	112.8	F299 G587 I591 E593	F299-R589 HydrophobicContact CD1-CB 4.22Å; F299-R589 HydrophobicContact CD2-CB 4.02Å; F299-R589 HydrophobicContact CE1-CB 3.92Å; F299-R589 HydrophobicContact CE2-CB 3.73Å; F299-R589 HydrophobicContact CG-CB 4.27Å; F299-R589 HydrophobicContact CZ-CB 3.67Å; G587-R589 PolarHBondContact O-N 3.1Å; R589-I591 VanDerWaalsContact C-N 3.31Å; R589-E593 HydrophobicContact CG-CG 4.44Å; R589-E593 IonicContact CZ-OE1 2.63Å; R589-E593 IonicContact NE-OE1 3.35Å; R589-E593 PolarHBondContact NE-OE1 2.89Å; R589-E593 IonicContact NH2-OE1 3.64Å; R589-E593 PolarHBondContact NH2-OE1 3.18Å; R589-E593 WeakPolarHBondContact O-CB 3.32Å; R589-E593 WeakPolarHBondContact O-CG 3.19Å; R589-E593 PolarHBondContact O-N 3.26Å
590	A	91.9	Very high	83.9	Confident	12 Å²	12	61 Å²	61	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-69.3	-33.3	177.8	0	0	0	0	0	111.5	L585 G587 T588 Y594	L585-A590 HydrophobicContact CB-CB 4.33Å; G587-A590 WeakPolarHBondContact O-CB 3.24Å; G587-A590 PolarHBondContact O-N 3.4Å; T588-A590 PolarHBondContact O-N 3.31Å; A590-Y594 WeakPolarHBondContact O-CB 3.26Å; A590-Y594 PolarHBondContact O-N 3.35Å
591	I	92.1	Very high	84.5	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-70.4	-52.3	176.6	-48.7	172.7	0	0	0	109.8	S323 D324 Y424 L585 G587 T588 R589 E593 Y594 K595	S323-I591 WeakPolarHBondContact O-CD1 3.27Å; D324-I591 HydrophobicContact CB-CG2 3.67Å; D324-I591 WeakPolarHBondContact OD2-CG2 3.46Å; Y424-I591 HydrophobicContact CE2-CD1 3.69Å; Y424-I591 WeakPolarHBondContact OH-CD1 3.33Å; L585-I591 HydrophobicContact CB-CG1 3.83Å; L585-I591 HydrophobicContact CD1-CB 4.37Å; L585-I591 HydrophobicContact CD1-CG1 3.9Å; L585-I591 HydrophobicContact CD1-CG2 4.35Å; L585-I591 HydrophobicContact CG-CG1 4.49Å; G587-I591 PolarHBondContact O-N 3.08Å; T588-I591 PolarHBondContact O-N 3.5Å; R589-I591 VanDerWaalsContact C-N 3.31Å; I591-E593 VanDerWaalsContact C-N 3.34Å; I591-E593 PolarHBondContact O-N 3.07Å; I591-Y594 CarbonylContact O-C 3.54Å; I591-Y594 WeakPolarHBondContact O-CA 3.24Å; I591-Y594 WeakPolarHBondContact O-CB 3.17Å; I591-Y594 PolarHBondContact O-N 2.97Å; I591-K595 WeakPolarHBondContact O-CB 3.24Å; I591-K595 PolarHBondContact O-N 2.87Å
592	F	92.3	Very high	85	Confident	24 Å²	24	62.6 Å²	62.6	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-56.5	-42.3	174.8	-179.6	-96.8	0	0	0	113.2	D292 V295 K296 T588 Y594 R596	D292-F592 HydrophobicContact CB-CE2 4.01Å; D292-F592 HydrophobicContact CB-CZ 4.44Å; D292-F592 WeakPolarHBondContact OD1-CE2 3.25Å; V295-F592 HydrophobicContact CB-CD2 4.42Å; V295-F592 HydrophobicContact CB-CG 4.37Å; V295-F592 HydrophobicContact CG1-CB 3.71Å; V295-F592 HydrophobicContact CG1-CD1 3.87Å; V295-F592 HydrophobicContact CG1-CD2 4.12Å; V295-F592 HydrophobicContact CG1-CG 3.62Å; K296-F592 HydrophobicContact CB-CE1 3.77Å; K296-F592 HydrophobicContact CB-CZ 3.85Å; K296-F592 HydrophobicContact CG-CE1 4.2Å; K296-F592 HydrophobicContact CG-CZ 4.42Å; T588-F592 WeakPolarHBondContact O-CB 3.16Å; T588-F592 PolarHBondContact O-N 2.99Å; F592-Y594 VanDerWaalsContact C-N 3.29Å; F592-Y594 PolarHBondContact O-N 3.12Å; F592-R596 VanDerWaalsContact O-CB 3.31Å; F592-R596 WeakPolarHBondContact O-CB 3.3Å; F592-R596 PolarHBondContact O-N 3.3Å
593	E	91.8	Very high	85.3	Confident	53 Å²	53	65.1 Å²	65.1	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-72.5	-18.2	174.9	-73.6	-177.4	-172.2	0	0	113.4	R589 I591 R597	R589-E593 HydrophobicContact CG-CG 4.44Å; R589-E593 IonicContact CZ-OE1 2.63Å; R589-E593 IonicContact NE-OE1 3.35Å; R589-E593 PolarHBondContact NE-OE1 2.89Å; R589-E593 IonicContact NH2-OE1 3.64Å; R589-E593 PolarHBondContact NH2-OE1 3.18Å; R589-E593 WeakPolarHBondContact O-CB 3.32Å; R589-E593 WeakPolarHBondContact O-CG 3.19Å; R589-E593 PolarHBondContact O-N 3.26Å; I591-E593 VanDerWaalsContact C-N 3.34Å; I591-E593 PolarHBondContact O-N 3.07Å; E593-R597 PolarHBondContact O-NE 2.91Å; E593-R597 PolarHBondContact O-NH2 3.03Å
594	Y	89.8	Confident	84.4	Confident	140 Å²	140	61.5 Å²	61.5	55%	0.549	33%	0.334	S	S	.	.	H	α-helix	trans	-79.9	-56	169.5	175	-95	0	0	0	110.9	A590 I591 F592 R596 R597 A598	A590-Y594 WeakPolarHBondContact O-CB 3.26Å; A590-Y594 PolarHBondContact O-N 3.35Å; I591-Y594 CarbonylContact O-C 3.54Å; I591-Y594 WeakPolarHBondContact O-CA 3.24Å; I591-Y594 WeakPolarHBondContact O-CB 3.17Å; I591-Y594 PolarHBondContact O-N 2.97Å; F592-Y594 VanDerWaalsContact C-N 3.29Å; F592-Y594 PolarHBondContact O-N 3.12Å; Y594-R596 PolarHBondContact O-N 2.93Å; Y594-R597 WeakPolarHBondContact O-CA 3.46Å; Y594-R597 WeakPolarHBondContact O-CB 3.14Å; Y594-R597 PolarHBondContact O-N 3.3Å; Y594-A598 PolarHBondContact O-N 3.46Å
595	K	88.9	Confident	83	Confident	46 Å²	46	62.9 Å²	62.9	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-44.9	-56.7	174.3	171.2	168.9	175.4	157.8	0	112.1	D324 E327 I591 R597 A598 S599	D324-K595 IonicContact OD1-NZ 2.75Å; D324-K595 PolarHBondContact OD1-NZ 3.49Å; D324-K595 WeakPolarHBondContact OD2-CD 3.31Å; D324-K595 IonicContact OD2-NZ 2.7Å; E327-K595 VanDerWaalsContact CD-CE 3.45Å; E327-K595 WeakPolarHBondContact OE1-CE 3.41Å; E327-K595 IonicContact OE1-NZ 3.63Å; E327-K595 PolarHBondContact OE1-NZ 2.96Å; E327-K595 WeakPolarHBondContact OE2-CD 3.34Å; E327-K595 WeakPolarHBondContact OE2-CE 3.23Å; E327-K595 IonicContact OE2-NZ 3.76Å; E327-K595 PolarHBondContact OE2-NZ 3.31Å; I591-K595 WeakPolarHBondContact O-CB 3.24Å; I591-K595 PolarHBondContact O-N 2.87Å; K595-R597 PolarHBondContact O-N 3.5Å; K595-R597 VanDerWaalsContact O-N 3.09Å; K595-A598 WeakPolarHBondContact O-CB 3.28Å; K595-A598 PolarHBondContact O-N 3.08Å; K595-S599 PolarHBondContact O-N 3.33Å; K595-S599 PolarHBondContact O-OG 3.27Å; K595-S599 VanDerWaalsContact O-OG 3.04Å
596	R	88.3	Confident	81.4	Confident	124 Å²	124	66.7 Å²	66.7	47%	0.468	39%	0.386	S	S	.	.	H	α-helix	trans	-56.8	-30.7	178.7	-166	-169.2	73.4	-155.6	-1	113.8	F592 Y594 S600	F592-R596 VanDerWaalsContact O-CB 3.31Å; F592-R596 WeakPolarHBondContact O-CB 3.3Å; F592-R596 PolarHBondContact O-N 3.3Å; Y594-R596 PolarHBondContact O-N 2.93Å; R596-S600 PolarHBondContact O-N 3.22Å; R596-S600 PolarHBondContact O-OG 3.21Å
597	R	88.8	Confident	79.4	Confident	108 Å²	108	75.8 Å²	75.8	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-77.1	-43.4	175.3	-81.7	179.2	-71.4	169	0.4	111.5	E593 Y594 K595 S599 S600 I601	E593-R597 PolarHBondContact O-NE 2.91Å; E593-R597 PolarHBondContact O-NH2 3.03Å; Y594-R597 WeakPolarHBondContact O-CA 3.46Å; Y594-R597 WeakPolarHBondContact O-CB 3.14Å; Y594-R597 PolarHBondContact O-N 3.3Å; K595-R597 PolarHBondContact O-N 3.5Å; K595-R597 VanDerWaalsContact O-N 3.09Å; R597-S599 PolarHBondContact O-N 3.19Å; R597-S600 WeakPolarHBondContact CA-OG 3.44Å; R597-S600 PolarHBondContact O-N 3.05Å; R597-S600 PolarHBondContact O-OG 3.25Å; R597-I601 WeakPolarHBondContact O-CG1 3.25Å; R597-I601 PolarHBondContact O-N 3.25Å; R597-I601 VanDerWaalsContact O-N 3.15Å
598	A	86.9	Confident	77.1	Confident	46 Å²	46	81.1 Å²	81.1	38%	0.38	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-47.3	174.4	0	0	0	0	0	111.2	Y594 K595 S600 I601 S602	Y594-A598 PolarHBondContact O-N 3.46Å; K595-A598 WeakPolarHBondContact O-CB 3.28Å; K595-A598 PolarHBondContact O-N 3.08Å; A598-S600 PolarHBondContact O-N 2.89Å; A598-I601 PolarHBondContact O-N 3.07Å; A598-I601 VanDerWaalsContact O-N 3.12Å; A598-S602 PolarHBondContact O-N 3.34Å
599	S	84.9	Confident	74.5	Confident	62 Å²	62	89.5 Å²	89.5	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-56.3	-46.9	174.2	-44.8	0	0	0	0	111.8	K595 R597 I601 S602 S603	K595-S599 PolarHBondContact O-N 3.33Å; K595-S599 PolarHBondContact O-OG 3.27Å; K595-S599 VanDerWaalsContact O-OG 3.04Å; R597-S599 PolarHBondContact O-N 3.19Å; S599-I601 PolarHBondContact O-N 3.02Å; S599-S602 PolarHBondContact O-N 2.73Å; S599-S602 VanDerWaalsContact O-N 3.17Å; S599-S603 WeakPolarHBondContact O-CB 3.24Å; S599-S603 PolarHBondContact O-N 3.42Å; S599-S603 PolarHBondContact O-OG 2.96Å; S599-S603 VanDerWaalsContact O-OG 3.06Å
600	S	80.8	Confident	72.1	Confident	75 Å²	75	91.1 Å²	91.1	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-19.1	179.9	63.2	0	0	0	0	115.1	R596 R597 A598	R596-S600 PolarHBondContact O-N 3.22Å; R596-S600 PolarHBondContact O-OG 3.21Å; R597-S600 WeakPolarHBondContact CA-OG 3.44Å; R597-S600 PolarHBondContact O-N 3.05Å; R597-S600 PolarHBondContact O-OG 3.25Å; A598-S600 PolarHBondContact O-N 2.89Å
601	I	81.9	Confident	69.8	Low	139 Å²	139	94.8 Å²	94.8	71%	0.713	55%	0.554	S	S	*	*	H	α-helix	trans	-85.1	-42.4	173.4	-65.4	162.4	0	0	0	109.9	R597 A598 S599	R597-I601 WeakPolarHBondContact O-CG1 3.25Å; R597-I601 PolarHBondContact O-N 3.25Å; R597-I601 VanDerWaalsContact O-N 3.15Å; A598-I601 PolarHBondContact O-N 3.07Å; A598-I601 VanDerWaalsContact O-N 3.12Å; S599-I601 PolarHBondContact O-N 3.02Å
602	S	76.2	Confident	67.1	Low	106 Å²	106	100 Å²	100	74%	0.741	59%	0.591	S	S	*	*	H	α-helix	trans	-65.5	-40.4	178.2	-168.1	0	0	0	0	112.6	A598 S599 G604	A598-S602 PolarHBondContact O-N 3.34Å; S599-S602 PolarHBondContact O-N 2.73Å; S599-S602 VanDerWaalsContact O-N 3.17Å; S602-G604 PolarHBondContact O-N 3.13Å
603	S	68.8	Low	64.5	Low	100 Å²	100	104.1 Å²	104.1	70%	0.699	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	28.6	-177.7	-54.2	0	0	0	0	115.4	S599 G605	S599-S603 WeakPolarHBondContact O-CB 3.24Å; S599-S603 PolarHBondContact O-N 3.42Å; S599-S603 PolarHBondContact O-OG 2.96Å; S599-S603 VanDerWaalsContact O-OG 3.06Å; S603-G605 PolarHBondContact O-N 3.23Å
604	G	52.4	Low	62	Low	62 Å²	62	105.8 Å²	105.8	64%	0.639	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	62	36.4	164.4	0	0	0	0	0	116.2	S602 S606	S602-G604 PolarHBondContact O-N 3.13Å; G604-S606 PolarHBondContact O-N 3.23Å
605	G	48.2	Very low	59.4	Low	59 Å²	59	104.5 Å²	104.5	61%	0.608	66%	0.655	S	S	*	*			trans	-63.5	88	-179.5	0	0	0	0	0	113.4	S603 F607	S603-G605 PolarHBondContact O-N 3.23Å; G605-F607 PolarHBondContact O-N 2.72Å; G605-F607 VanDerWaalsContact O-N 3.08Å
606	S	43.9	Very low	57.3	Low	102 Å²	102	107.9 Å²	107.9	71%	0.713	68%	0.682	S	S	*	*			trans	-63.2	107.4	-173.3	-171.5	0	0	0	0	113.1	G604	G604-S606 PolarHBondContact O-N 3.23Å
607	F	40.8	Very low	55.1	Low	203 Å²	203	108.2 Å²	108.2	89%	0.89	70%	0.7	S	S	*	*			trans	-128.8	81.6	162.9	-86.1	-78	0	0	0	109.4	G605 F609	G605-F607 PolarHBondContact O-N 2.72Å; G605-F607 VanDerWaalsContact O-N 3.08Å; F607-F609 PolarHBondContact O-N 3.17Å
608	S	43.1	Very low	52.5	Low	113 Å²	113	105.5 Å²	105.5	79%	0.79	71%	0.706	S	S	*	*			trans	-70.3	87	171.6	36.2	0	0	0	0	111.1
609	F	38.7	Very low	49.9	Very low	182 Å²	182	109.7 Å²	109.7	80%	0.798	73%	0.729	S	S	*	*			trans	-137.4	99.7	163.4	-151	-91.5	0	0	0	112.4	F607	F607-F609 PolarHBondContact O-N 3.17Å
610	L	43.8	Very low	47.7	Very low	150 Å²	150	113.5 Å²	113.5	79%	0.785	74%	0.744	S	S	*	*			trans	31.1	118.2	162.8	-69.6	165.7	0	0	0	118.7	S612	L610-S612 PolarHBondContact O-N 2.8Å
611	G	43.6	Very low	45.4	Very low	88 Å²	88	121.1 Å²	121.1	91%	0.907	76%	0.761	S	S	*	*			trans	-57.9	130.1	-172.3	0	0	0	0	0	115.5
612	S	34.5	Very low	43.1	Very low	117 Å²	117	118.5 Å²	118.5	82%	0.818	76%	0.76	S	S	*	*			trans	-144.1	157.1	155.7	-170.7	0	0	0	0	108.5	L610 A614	L610-S612 PolarHBondContact O-N 2.8Å; S612-A614 PolarHBondContact O-N 2.57Å
613	S	38.2	Very low	41	Very low	111 Å²	111	118.9 Å²	118.9	78%	0.776	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.3	133.5	-177.4	-175	0	0	0	0	111.3	P615	S613-P615 WeakPolarHBondContact O-CD 3.23Å
614	A	38.6	Very low	39.3	Very low	88 Å²	88	119 Å²	119	73%	0.727	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-60.4	117.2	-175.3	0	0	0	0	0	110.7	S612	S612-A614 PolarHBondContact O-N 2.57Å
615	P	37.2	Very low	38.3	Very low	114 Å²	114	121.7 Å²	121.7	74%	0.74	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70	140.3	-179.4	28.5	-33.9	0	0	0	110.2	S613	S613-P615 WeakPolarHBondContact O-CD 3.23Å
616	P	43.9	Very low	37.7	Very low	117 Å²	117	126.5 Å²	126.5	76%	0.76	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.7	174.1	26	-34.2	0	0	0	110.1	G618	P616-G618 PolarHBondContact O-N 3.32Å
617	P	41.5	Very low	37.3	Very low	131 Å²	131	129.9 Å²	129.9	85%	0.851	79%	0.793	S	S	*	*			trans	-61.8	111	-169.3	23	-33.6	0	0	0	111.7
618	G	34.1	Very low	36.9	Very low	51 Å²	51	125.6 Å²	125.6	53%	0.526	79%	0.788	S	S	.	*			trans	-62.4	161.7	177.1	0	0	0	0	0	113	P616 L620	P616-G618 PolarHBondContact O-N 3.32Å; G618-L620 PolarHBondContact O-N 3.05Å; G618-L620 VanDerWaalsContact O-N 3.13Å
619	P	33.6	Very low	36.6	Very low	133 Å²	133	128.2 Å²	128.2	86%	0.864	79%	0.792	S	S	*	*			trans	-62.3	117.9	-173.6	25.3	-34.4	0	0	0	111.4	R621	P619-R621 PolarHBondContact O-N 3.43Å
620	L	37.4	Very low	36.8	Very low	142 Å²	142	125.6 Å²	125.6	74%	0.743	79%	0.793	S	S	*	*			trans	-60.7	112.3	174.2	-69.4	178.1	0	0	0	109.5	G618 A622	G618-L620 PolarHBondContact O-N 3.05Å; G618-L620 VanDerWaalsContact O-N 3.13Å; L620-A622 PolarHBondContact O-N 3.28Å
621	R	33.6	Very low	36.3	Very low	235 Å²	235	121.4 Å²	121.4	89%	0.887	79%	0.787	S	S	*	*			trans	-64.5	115.1	176.8	-171.6	177.6	-168.7	150.6	-0.1	108.7	P619 S623	P619-R621 PolarHBondContact O-N 3.43Å; R621-S623 PolarHBondContact O-N 3.13Å; R621-S623 VanDerWaalsContact O-N 3.11Å
622	A	32.2	Very low	35.8	Very low	85 Å²	85	126 Å²	126	70%	0.702	78%	0.782	S	S	*	*			trans	-56.3	118	178.6	0	0	0	0	0	110.8	L620 S624	L620-A622 PolarHBondContact O-N 3.28Å; A622-S624 PolarHBondContact O-N 3.31Å
623	S	32.8	Very low	35.8	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	78%	0.781	S	S	*	*			trans	-74.7	87.9	-179.4	-60.6	0	0	0	0	111	R621 S625	R621-S623 PolarHBondContact O-N 3.13Å; R621-S623 VanDerWaalsContact O-N 3.11Å; S623-S625 VanDerWaalsContact C-N 3.34Å; S623-S625 PolarHBondContact O-N 3.09Å
624	S	33.9	Very low	35.6	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	79%	0.786	S	S	*	*			trans	-69.2	88.7	167.2	-61	0	0	0	0	110.1	A622 L626	A622-S624 PolarHBondContact O-N 3.31Å; S624-L626 PolarHBondContact O-N 3.16Å
625	S	29.9	Very low	35.2	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	79%	0.791	S	S	*	*			trans	-64.6	100	170.7	-61.4	0	0	0	0	110.1	S623	S623-S625 VanDerWaalsContact C-N 3.34Å; S623-S625 PolarHBondContact O-N 3.09Å
626	L	37.1	Very low	34.9	Very low	161 Å²	161	142.4 Å²	142.4	84%	0.843	80%	0.799	S	S	*	*			trans	-77	159.3	168.2	-69.6	174.3	0	0	0	110.7	S624	S624-L626 PolarHBondContact O-N 3.16Å
627	L	35.8	Very low	34.1	Very low	172 Å²	172	141 Å²	141	90%	0.901	80%	0.797	S	S	*	*			trans	-62.4	141.9	-171.1	-64.2	160.9	0	0	0	112.5
628	S	31.1	Very low	34.1	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	79%	0.79	S	S	*	*			trans	-117.2	115.6	166.8	49.8	0	0	0	0	110
629	L	36.8	Very low	33.8	Very low	168 Å²	168	146 Å²	146	88%	0.88	80%	0.802	S	S	*	*			trans	-107.7	118.7	171.5	-76.9	167.4	0	0	0	109
630	P	42.7	Very low	33.4	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	80%	0.8	S	S	*	*			trans	-89.6	150.4	160.2	35.2	-30.4	0	0	0	109.8
631	G	33.9	Very low	32.8	Very low	63 Å²	63	146.8 Å²	146.8	65%	0.649	80%	0.8	S	S	*	*			cis	-168.5	163.5	-7.3	0	0	0	0	0	107
632	F	32.8	Very low	32.7	Very low	185 Å²	185	144.2 Å²	144.2	81%	0.811	80%	0.799	S	S	*	*				-173.2	141.9	79.1	-106.2	-118.5	0	0	0	107.4
633	R	35.3	Very low	33.4	Very low	208 Å²	208	144.6 Å²	144.6	79%	0.785	79%	0.794	S	S	*	*				41.2	132.7	98.8	-56.2	-163.8	-158.7	-96.6	13.1	114.2
634	K	33	Very low	33.2	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	80%	0.795	S	S	*	*			cis	-147.4	176.6	19.4	-106	160.7	178.5	179.9	0	107.3
635	S	30.8	Very low	33	Very low	119 Å²	119	151.4 Å²	151.4	83%	0.832	80%	0.796	S	S	*	*			cis	-143.6	-140.1	19.2	74.1	0	0	0	0	113.3
636	R	30.7	Very low	32.7	Very low	243 Å²	243	152.1 Å²	152.1	92%	0.917	79%	0.789	S	S	*	*			trans	-99.7	157.8	-162.2	-138.6	172.7	-175.4	167.5	-2.3	112.4
637	A	26.9	Very low	32.2	Very low	86 Å²	86	149.8 Å²	149.8	71%	0.711	79%	0.786	S	S	*	*			trans	-73.9	176	173.8	0	0	0	0	0	111.5
638	P	41.7	Very low	31.6	Very low	107 Å²	107	150.5 Å²	150.5	70%	0.695	78%	0.782	S	S	*	*				-153.8	-179.5	51.1	46.2	-25.2	0	0	0	120.1
639	F	27.1	Very low	31.5	Very low	180 Å²	180	150.4 Å²	150.4	79%	0.789	78%	0.782	S	S	*	*			trans	63.6	103.4	156.3	-71.4	-65.7	0	0	0	123.5
640	F	25.8	Very low	30.9	Very low	184 Å²	184	145.7 Å²	145.7	81%	0.807	77%	0.774	S	S	*	*				59.9	143.3	119.5	-96.3	-102.4	0	0	0	124.3
641	S	25.2	Very low	31.2	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	78%	0.775	S	S	*	*			trans	69.1	150.1	158.8	71.6	0	0	0	0	117.9
642	Q	30.7	Very low	30.9	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	79%	0.786	S	S	*	*			cis	-150.2	164.3	-20.7	-96.1	-96.5	3.9	0	0	106.9
643	P	46.9	Very low	30.6	Very low	93 Å²	93	143.5 Å²	143.5	60%	0.604	78%	0.783	S	S	*	*			trans	-106.1	143	-174.2	36.1	-25.9	0	0	0	114.3
644	K	29.2	Very low	30.3	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	78%	0.781	S	S	*	*			trans	164.5	143.4	136.3	-92.5	154.4	-171.1	167.7	0	115.5
645	K	29.5	Very low	29.9	Very low	171 Å²	171	136.9 Å²	136.9	74%	0.743	78%	0.78	S	S	*	*			trans	71.2	121.8	135.9	-75.5	-178.5	161.3	-163.8	0	123.5
646	I	24	Very low	29.8	Very low	132 Å²	132	135.1 Å²	135.1	68%	0.677	77%	0.767	S	S	*	*				78.6	124.7	121.1	-63.4	171.1	0	0	0	120.8
647	S	25.5	Very low	29.8	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	77%	0.766	S	S	*	*			trans	66.1	163.7	153	70	0	0	0	0	119.9
648	F	24.4	Very low	29.8	Very low	187 Å²	187	133.5 Å²	133.5	82%	0.82	77%	0.767	S	S	*	*			cis	-174.4	156.6	-35.6	-173	-97.4	0	0	0	107.7
649	S	27.7	Very low	30.1	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	77%	0.768	S	S	*	*			trans	59.2	155.1	-173.9	36.8	0	0	0	0	115.2
650	G	25.7	Very low	30.4	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	77%	0.77	S	S	*	*			cis	112.2	158.2	13.1	0	0	0	0	0	111
651	P	49.2	Very low	30.7	Very low	130 Å²	130	127.1 Å²	127.1	84%	0.844	77%	0.766	S	S	*	*			cis	-139.1	-160	-4	42.8	-23.1	0	0	0	114.4
652	S	26.6	Very low	30.9	Very low	125 Å²	125	126.8 Å²	126.8	87%	0.874	76%	0.764	S	S	*	*			trans	102.4	147.7	146.5	-148	0	0	0	0	120.9
653	G	26.3	Very low	30.9	Very low	72 Å²	72	126.5 Å²	126.5	74%	0.742	77%	0.767	S	S	*	*			trans	91.5	138	170.5	0	0	0	0	0	116.3
654	A	28.8	Very low	30.1	Very low	91 Å²	91	127.6 Å²	127.6	75%	0.752	78%	0.777	S	S	*	*			cis	-178.2	161	-46.7	0	0	0	0	0	107.4
655	E	26.4	Very low	30.2	Very low	183 Å²	183	121.7 Å²	121.7	86%	0.855	77%	0.769	S	S	*	*			trans	66.4	156.5	169	-61	-146	74.4	0	0	117.7
656	S	28.4	Very low	30.4	Very low	81 Å²	81	122 Å²	122	57%	0.566	77%	0.774	S	S	*	*			cis	-162	154.2	-22	-102.3	0	0	0	0	111.5
657	Q	29	Very low	30.7	Very low	192 Å²	192	124.8 Å²	124.8	90%	0.897	78%	0.781	S	S	*	*			trans	71.3	157.6	158.2	-66.4	173.2	34.3	0	0	121.9
658	S	27.5	Very low	32	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	78%	0.778	S	S	*	*			trans	-140.7	170.6	176.5	64.1	0	0	0	0	109.3
659	P	48.6	Very low	33.7	Very low	111 Å²	111	121 Å²	121	72%	0.721	77%	0.773	S	S	*	*				-148.5	148.2	96.6	35.8	-16.1	0	0	0	115.2
660	V	32.9	Very low	34	Very low	138 Å²	138	122.9 Å²	122.9	84%	0.836	77%	0.772	S	S	*	*				63	131.9	105.6	-172.9	0	0	0	0	114.4
661	A	31.4	Very low	35.7	Very low	87 Å²	87	124.9 Å²	124.9	72%	0.719	77%	0.773	S	S	*	*			cis	-146.8	-179.7	26.1	0	0	0	0	0	112.1
662	S	29.8	Very low	36	Very low	102 Å²	102	124.4 Å²	124.4	71%	0.713	77%	0.77	S	S	*	*			cis	-165.7	140.2	-3.1	38.8	0	0	0	0	112.2
663	L	32	Very low	36.1	Very low	175 Å²	175	124.3 Å²	124.3	92%	0.916	77%	0.769	S	S	*	*			trans	40.7	135.8	143.9	-57.1	169.9	0	0	0	120.8
664	S	30	Very low	36.4	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	77%	0.77	S	S	*	*			cis	-150.8	-166.4	10.6	68.9	0	0	0	0	109.9
665	G	30.8	Very low	36.5	Very low	63 Å²	63	125.4 Å²	125.4	65%	0.649	77%	0.771	S	S	*	*			cis	127.5	136.4	-0.4	0	0	0	0	0	112.9
666	Q	33.2	Very low	37.6	Very low	178 Å²	178	121.5 Å²	121.5	83%	0.832	76%	0.761	S	S	*	*			cis	-158.3	164.6	-2.2	-51	-177.8	26.6	0	0	113.4
667	K	31.3	Very low	37.8	Very low	190 Å²	190	127.3 Å²	127.3	83%	0.826	78%	0.776	S	S	*	*			trans	78.4	152.5	148.7	-88	-168.4	173.4	-176.3	0	124.5
668	P	51.8	Low	37.8	Very low	112 Å²	112	122 Å²	122	73%	0.727	77%	0.765	S	S	*	*			trans	-127.7	-146.1	176	45.6	-27.5	0	0	0	112.1
669	P	61.2	Low	37.9	Very low	109 Å²	109	123.4 Å²	123.4	71%	0.708	77%	0.769	S	S	*	*			cis	-126	-159.8	-40.8	29.5	-6.3	0	0	0	113.5
670	I	33.8	Very low	37	Very low	152 Å²	152	124 Å²	124	78%	0.779	77%	0.771	S	S	*	*			trans	118.2	133.8	152	-63.6	171.4	0	0	0	118.2
671	P	61.4	Low	37.6	Very low	111 Å²	111	123.5 Å²	123.5	72%	0.721	77%	0.771	S	S	*	*			trans	-101.6	-159.5	177.1	44.4	-39.8	0	0	0	112.7
672	P	55	Low	37.6	Very low	120 Å²	120	127.9 Å²	127.9	78%	0.779	78%	0.776	S	S	*	*			cis	-146.4	-150.5	9.9	46.4	-23.3	0	0	0	117.4
673	S	27.7	Very low	37.6	Very low	122 Å²	122	128.3 Å²	128.3	85%	0.853	77%	0.774	S	S	*	*			trans	81.5	143.8	172.9	-124.8	0	0	0	0	117.1
674	A	32.7	Very low	37.4	Very low	94 Å²	94	128.7 Å²	128.7	78%	0.777	77%	0.771	S	S	*	*			cis	-145.6	175.1	1	0	0	0	0	0	112.5
675	A	31.7	Very low	37.5	Very low	92 Å²	92	128.5 Å²	128.5	76%	0.76	77%	0.77	S	S	*	*			trans	-129.9	-163.8	175.3	0	0	0	0	0	108.6
676	P	49.9	Very low	38.2	Very low	101 Å²	101	130.9 Å²	130.9	66%	0.656	77%	0.774	S	S	*	*			cis	-148.2	-174.9	3.8	46.2	-27.2	0	0	0	117.8
677	K	32	Very low	37.9	Very low	203 Å²	203	130 Å²	130	88%	0.883	77%	0.774	S	S	*	*			trans	66.1	155.9	150.8	-77.3	169.5	-177.7	179	0	118.1
678	A	30.1	Very low	37.9	Very low	80 Å²	80	125.5 Å²	125.5	66%	0.661	77%	0.772	S	S	*	*			cis	-162.8	-165.1	-15.1	0	0	0	0	0	107.3
679	T	27.8	Very low	36.9	Very low	134 Å²	134	124.6 Å²	124.6	82%	0.822	77%	0.774	S	S	*	*			cis	-158.8	164	11.7	-29.5	0	0	0	0	110.4
680	T	30.6	Very low	35.3	Very low	124 Å²	124	128 Å²	128	76%	0.761	78%	0.781	S	S	*	*			trans	-97.3	174.1	163.7	58.5	0	0	0	0	110.8
681	P	45.8	Very low	35.2	Very low	127 Å²	127	125.6 Å²	125.6	83%	0.825	78%	0.777	S	S	*	*				-150.6	-167.8	84.7	40.5	-20.5	0	0	0	115.2
682	H	31.1	Very low	33.7	Very low	180 Å²	180	125.1 Å²	125.1	83%	0.833	78%	0.777	S	S	*	*			trans	-135.8	157.4	-178.6	-171.6	-60.1	0	0	0	107.2
683	V	30.1	Very low	32.6	Very low	110 Å²	110	124.8 Å²	124.8	67%	0.667	78%	0.778	S	S	*	*			trans	142.9	129.6	155.7	162.1	0	0	0	0	115.7
684	Q	28.2	Very low	32.7	Very low	183 Å²	183	123.4 Å²	123.4	86%	0.855	77%	0.774	S	S	*	*			trans	48.1	154.5	151.1	-67.6	162.6	-7.3	0	0	124.3
685	S	31.2	Very low	32.6	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	78%	0.776	S	S	*	*			trans	-101.2	158.9	162.7	-39.1	0	0	0	0	109.6
686	P	45	Very low	32.5	Very low	113 Å²	113	130.4 Å²	130.4	73%	0.734	78%	0.778	S	S	*	*				-155.6	-175.4	80.3	41.9	-21.9	0	0	0	116.7
687	L	27.9	Very low	31.6	Very low	160 Å²	160	134 Å²	134	84%	0.838	79%	0.786	S	S	*	*			trans	39.9	118	156.7	-91.1	70.1	0	0	0	119.9
688	A	31.3	Very low	32.1	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	78%	0.782	S	S	*	*				81.1	142.8	84.4	0	0	0	0	0	114
689	A	30.6	Very low	32.1	Very low	94 Å²	94	130.7 Å²	130.7	78%	0.777	79%	0.785	S	S	*	*			cis	-132.6	-148.5	3.9	0	0	0	0	0	109.7
690	E	27.8	Very low	33.4	Very low	179 Å²	179	129.9 Å²	129.9	84%	0.836	78%	0.783	S	S	*	*			cis	-147	-174.8	13.7	-89.5	-146.5	74.1	0	0	112.6
691	S	30.6	Very low	34.3	Very low	102 Å²	102	128.5 Å²	128.5	71%	0.713	78%	0.776	S	S	*	*			trans	4.2	144.8	160.1	71.2	0	0	0	0	122.1
692	S	30	Very low	33.6	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	77%	0.774	S	S	*	*			cis	-153.7	144.6	23.3	45.1	0	0	0	0	115.3
693	S	31.6	Very low	33.4	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	77%	0.771	S	S	*	*			trans	47.7	145.7	149.2	55.8	0	0	0	0	122.8
694	A	31	Very low	33.4	Very low	93 Å²	93	129 Å²	129	77%	0.769	78%	0.778	S	S	*	*			cis	-164.5	136.6	-20.9	0	0	0	0	0	111.6
695	Q	29.8	Very low	33.5	Very low	178 Å²	178	124.9 Å²	124.9	83%	0.832	77%	0.769	S	S	*	*			trans	-17.7	143	147.9	-96.4	167.6	-7.9	0	0	117.4
696	I	30.1	Very low	33.9	Very low	155 Å²	155	125.3 Å²	125.3	80%	0.795	77%	0.769	S	S	*	*				-176.3	164.8	74.4	-106.4	134.1	0	0	0	112.2
697	Q	30.7	Very low	33	Very low	177 Å²	177	129 Å²	129	83%	0.827	77%	0.774	S	S	*	*			trans	-104.3	164.9	170.9	-68.2	-176.2	-8.6	0	0	111.1
698	P	42.8	Very low	33	Very low	124 Å²	124	128.4 Å²	128.4	81%	0.805	77%	0.77	S	S	*	*			cis	-148.4	-157.1	30.9	42.2	-18.1	0	0	0	116.2
699	A	29.6	Very low	32.7	Very low	88 Å²	88	130.6 Å²	130.6	73%	0.727	77%	0.773	S	S	*	*			trans	-95.9	-172.2	172.8	0	0	0	0	0	112.1
700	P	54.9	Low	32.6	Very low	118 Å²	118	130.8 Å²	130.8	77%	0.766	77%	0.769	S	S	*	*			cis	-127.2	-134.4	-2.3	36.1	-11.2	0	0	0	110.4
701	P	50.8	Low	32.6	Very low	95 Å²	95	129.2 Å²	129.2	62%	0.617	76%	0.762	S	S	*	*			cis	-136.8	-168	-21.5	42	-22.6	0	0	0	116.4
702	N	30.3	Very low	32.5	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	76%	0.761	S	S	*	*			trans	70.1	157	158.1	-64	-9.8	0	0	0	117.8
703	T	27.8	Very low	32.6	Very low	125 Å²	125	133.3 Å²	133.3	77%	0.767	76%	0.761	S	S	*	*			cis	-149.8	-166.1	-0.5	-4.8	0	0	0	0	108.1
704	L	28.7	Very low	32.9	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	76%	0.758	S	S	*	*			cis	-155.5	-155.3	7.6	-135.6	170.2	0	0	0	109.6
705	S	29.9	Very low	33.3	Very low	97 Å²	97	135 Å²	135	68%	0.678	76%	0.759	S	S	*	*			trans	-134.3	160.9	176	-44.5	0	0	0	0	112
706	P	40.5	Very low	33.8	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	75%	0.754	S	S	*	*				-156.4	135.2	98.5	37.7	-17.5	0	0	0	119.6
707	K	26	Very low	34.3	Very low	190 Å²	190	131.8 Å²	131.8	83%	0.826	75%	0.752	S	S	*	*				44.9	136.5	118.5	-119.1	-174.9	-179.3	-177.4	0	124
708	I	27.9	Very low	35.1	Very low	148 Å²	148	129.2 Å²	129.2	76%	0.759	75%	0.751	S	S	*	*			trans	115.6	138.8	141.7	-60.8	150	0	0	0	119.3
709	V	25.3	Very low	34.9	Very low	140 Å²	140	128.6 Å²	128.6	85%	0.848	75%	0.75	S	S	*	*			trans	67	165.7	176	-141.5	0	0	0	0	119.1
710	S	28.5	Very low	35.8	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	76%	0.755	S	S	*	*				-164.4	167.6	-77.3	-160.2	0	0	0	0	112
711	E	27.7	Very low	35	Very low	147 Å²	147	132 Å²	132	69%	0.687	76%	0.762	S	S	*	*			trans	71.8	122.6	161.4	-51.5	-135.2	111.9	0	0	120.1
712	Q	28.1	Very low	34.3	Very low	149 Å²	149	131.7 Å²	131.7	70%	0.696	77%	0.768	S	S	*	*				77.8	144.3	88.5	-62.9	-167.7	35.3	0	0	115.1
713	I	31.6	Very low	34.8	Very low	140 Å²	140	131.8 Å²	131.8	72%	0.718	77%	0.768	S	S	*	*			cis	-157	169.9	-4.4	-115.9	173.6	0	0	0	110.7
714	T	37.9	Very low	35.4	Very low	119 Å²	119	132.5 Å²	132.5	73%	0.73	77%	0.767	S	S	*	*			trans	-122.8	157.3	176.6	-34.9	0	0	0	0	112.4
715	P	39.4	Very low	35.6	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	76%	0.759	S	S	*	*			trans	-143.6	178.2	144.3	37.5	-21	0	0	0	116.4
716	T	41.9	Very low	36.8	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	76%	0.761	S	S	*	*			trans	-147.8	148.1	-162.1	-56.5	0	0	0	0	113.2
717	I	40.8	Very low	36.4	Very low	148 Å²	148	130.6 Å²	130.6	76%	0.759	76%	0.76	S	S	*	*			trans	10.2	141.9	157	-44.9	157.5	0	0	0	120.7
718	P	45.9	Very low	36.7	Very low	124 Å²	124	129.6 Å²	129.6	81%	0.805	76%	0.758	S	S	*	*			trans	-147.9	-179.8	130.7	39.5	-23.4	0	0	0	117.5
719	S	39.1	Very low	37.9	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	75%	0.753	S	S	*	*			trans	-136.8	169.4	174	-48.5	0	0	0	0	111.8
720	P	49.4	Very low	38.1	Very low	129 Å²	129	129 Å²	129	84%	0.838	75%	0.752	S	S	*	*			trans	-123.8	179.8	-179.8	38.9	-24.2	0	0	0	118
721	T	38.4	Very low	38.1	Very low	149 Å²	149	131.6 Å²	131.6	91%	0.914	76%	0.757	S	S	*	*			trans	-121.8	-149.2	-156.2	-15.5	0	0	0	0	114.9
722	A	35.9	Very low	39.6	Very low	88 Å²	88	129.8 Å²	129.8	73%	0.727	76%	0.758	S	S	*	*			cis	-147.9	-166.2	18.4	0	0	0	0	0	111
723	N	40.2	Very low	40.5	Very low	147 Å²	147	128.6 Å²	128.6	79%	0.786	76%	0.763	S	S	*	*			cis	-148.6	-148	10.9	-159.5	12.1	0	0	0	109.4
724	N	39.2	Very low	41.3	Very low	140 Å²	140	127.8 Å²	127.8	75%	0.749	77%	0.767	S	S	*	*			cis	-159.7	-168	5.1	-158.3	0.4	0	0	0	111.8
725	A	34.7	Very low	41.2	Very low	79 Å²	79	131 Å²	131	65%	0.653	77%	0.774	S	S	*	*			trans	-133.1	-163	-179.5	0	0	0	0	0	112.2
726	P	54.1	Low	41.5	Very low	110 Å²	110	131 Å²	131	71%	0.714	77%	0.774	S	S	*	*			cis	-148.8	151.8	4.1	41.5	-18.7	0	0	0	122.1
727	L	33	Very low	41.8	Very low	147 Å²	147	131.2 Å²	131.2	77%	0.77	78%	0.777	S	S	*	*			trans	68.4	114	131.9	-60.3	170.8	0	0	0	128.4
728	Q	31	Very low	42.6	Very low	169 Å²	169	129.6 Å²	129.6	79%	0.79	78%	0.776	S	S	*	*				77.4	160	125.4	-76.2	-166.8	19.7	0	0	124.9
729	P	54.1	Low	41.9	Very low	102 Å²	102	132.7 Å²	132.7	66%	0.662	78%	0.78	S	S	*	*			cis	-149.6	173.1	-29.9	42	-22.7	0	0	0	120.4
730	Q	29.4	Very low	42	Very low	175 Å²	175	132.8 Å²	132.8	82%	0.818	78%	0.778	S	S	*	*			trans	98.2	136.9	148	-61.7	-148.7	-4	0	0	127.7
731	L	29	Very low	42.2	Very low	151 Å²	151	131.9 Å²	131.9	79%	0.791	77%	0.772	S	S	*	*			trans	83.2	143.3	150.7	-101.5	81.1	0	0	0	127.1
732	P	57.7	Low	41.7	Very low	109 Å²	109	133.9 Å²	133.9	71%	0.708	77%	0.768	S	S	*	*			trans	-127.4	174.1	179.2	45.5	-32.3	0	0	0	117.1
733	P	48.7	Very low	41.3	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	77%	0.771	S	S	*	*				-159.2	-153.7	114.3	40	-18	0	0	0	114.8
734	P	46.7	Very low	40.6	Very low	124 Å²	124	135.9 Å²	135.9	81%	0.805	77%	0.765	S	S	*	*				-125.4	-170.8	-55.8	31.9	-10.9	0	0	0	116
735	Q	37.6	Very low	39.9	Very low	187 Å²	187	135.2 Å²	135.2	87%	0.874	77%	0.766	S	S	*	*			trans	-112.8	164.9	172.4	-66.7	-176.5	-12.6	0	0	113.7
736	P	44.2	Very low	40.1	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	77%	0.769	S	S	*	*				-155	-162.6	116.8	41.5	-20.1	0	0	0	115.3
737	P	49.1	Very low	38.7	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	77%	0.771	S	S	*	*				-135.3	-141.8	-78.9	52.1	-33.1	0	0	0	114.5
738	P	58.1	Low	38.4	Very low	114 Å²	114	136.4 Å²	136.4	74%	0.74	78%	0.775	S	S	*	*			trans	-133.1	-167.3	-140.5	38.6	-12.9	0	0	0	117.8
739	Q	30	Very low	38.2	Very low	190 Å²	190	134 Å²	134	89%	0.888	78%	0.778	S	S	*	*			trans	-176.1	170	148.8	-103.4	-172.2	58	0	0	115
740	P	42.5	Very low	37	Very low	112 Å²	112	133 Å²	133	73%	0.727	79%	0.786	S	S	*	*			trans	-133.2	-132.2	-134.8	38.1	-10.9	0	0	0	118.5
741	P	53.4	Low	36.9	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	79%	0.792	S	S	*	*				-137	-178.9	-119	43.9	-22.9	0	0	0	119.7
742	K	27.3	Very low	37	Very low	191 Å²	191	135.2 Å²	135.2	83%	0.83	80%	0.797	S	S	*	*			trans	169.2	142.8	150.7	-91.4	152.8	-173.7	-180	0	110
743	E	27.9	Very low	35.9	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	80%	0.797	S	S	*	*			cis	76.7	133.6	46	-65.6	-160.2	148.5	0	0	114.9
744	T	25.8	Very low	35.1	Very low	105 Å²	105	134.7 Å²	134.7	64%	0.644	79%	0.794	S	S	*	*			cis	-164.9	141.3	-0.9	12.1	0	0	0	0	114.2
745	T	23.3	Very low	34.6	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	79%	0.791	S	S	*	*			trans	55.1	173.4	146.4	57.2	0	0	0	0	123
746	P	38.4	Very low	34.6	Very low	110 Å²	110	138 Å²	138	71%	0.714	79%	0.793	S	S	*	*			cis	-133.2	161.3	-24.5	26.6	-4.1	0	0	0	117.8
747	S	25.2	Very low	34.4	Very low	109 Å²	109	142 Å²	142	76%	0.762	80%	0.798	S	S	*	*			trans	31.8	139.7	144.9	69.3	0	0	0	0	125.8
748	V	27.2	Very low	34.1	Very low	142 Å²	142	146 Å²	146	86%	0.861	80%	0.803	S	S	*	*				-168.3	162.6	109.5	143.8	0	0	0	0	110.7
749	S	26.2	Very low	33.4	Very low	120 Å²	120	147.4 Å²	147.4	84%	0.839	80%	0.798	S	S	*	*			trans	-94.4	166	-162	51.5	0	0	0	0	117.7
750	G	28.8	Very low	34.9	Very low	81 Å²	81	141.1 Å²	141.1	84%	0.835	77%	0.774	S	S	*	*			trans	166	126.5	162.3	0	0	0	0	0	114.6
751	E	28.9	Very low	35.5	Very low	202 Å²	202	145.4 Å²	145.4	94%	0.944	78%	0.782	S	S	*	*			trans	-112.3	146	-177.9	-60.2	168.9	104	0	0	112.6
752	D	30.2	Very low	35.6	Very low	169 Å²	169	147.1 Å²	147.1	90%	0.904	78%	0.78	S	S	*	*			trans	-168.3	162.5	140.9	-145.4	-40.7	0	0	0	111.6
753	E	35.5	Very low	37.4	Very low	149 Å²	149	141.3 Å²	141.3	70%	0.696	76%	0.758	S	S	*	*			trans	-82.2	156.8	-175	-97.4	-141.4	124.2	0	0	115.8	K755	E753-K755 IonicContact OE2-NZ 3.49Å; E753-K755 PolarHBondContact OE2-NZ 2.84Å
754	G	31.2	Very low	39.1	Very low	72 Å²	72	141 Å²	141	74%	0.742	75%	0.754	S	S	*	*			trans	-132.5	74.3	177.9	0	0	0	0	0	116	K756	G754-K756 PolarHBondContact O-N 3.29Å
755	K	36.8	Very low	41.2	Very low	171 Å²	171	142.8 Å²	142.8	74%	0.743	75%	0.753	S	S	*	*			trans	-61.8	114	176.1	-77.5	179.5	173.6	75.3	0	113	E753 K757	E753-K755 IonicContact OE2-NZ 3.49Å; E753-K755 PolarHBondContact OE2-NZ 2.84Å; K755-K757 PolarHBondContact O-N 3.14Å
756	K	36.9	Very low	43.6	Very low	211 Å²	211	143.5 Å²	143.5	92%	0.917	75%	0.745	S	S	*	*			trans	-66.3	112	175.7	-87.6	176.1	177.4	164.7	0	112.6	G754	G754-K756 PolarHBondContact O-N 3.29Å
757	K	39.3	Very low	45.3	Very low	205 Å²	205	143.7 Å²	143.7	89%	0.891	74%	0.736	S	S	*	*			trans	-90.7	132.9	179.4	-154.7	170.5	-171.9	173.9	0	111.8	K755 K759	K755-K757 PolarHBondContact O-N 3.14Å; K757-K759 PolarHBondContact O-N 2.93Å
758	K	42.5	Very low	47.5	Very low	206 Å²	206	145.8 Å²	145.8	90%	0.896	73%	0.732	S	S	*	*			trans	-76.4	112	-178.1	-157.4	170.3	-173.7	173.2	0	109.9
759	K	44.5	Very low	49.9	Very low	143 Å²	143	144.7 Å²	144.7	62%	0.622	72%	0.718	S	S	*	*			trans	-56.1	138.4	-175.8	-167.2	179.4	-178.8	-171.9	0	111.2	K757 D763 E767	K757-K759 PolarHBondContact O-N 2.93Å; K759-D763 HydrophobicContact CD-CB 4.26Å; K759-D763 HydrophobicContact CG-CB 3.96Å; K759-D763 WeakPolarHBondContact CG-OD2 3.43Å; K759-E767 IonicContact NZ-OE2 3.43Å; K759-E767 PolarHBondContact NZ-OE2 3.28Å
760	S	61.5	Low	52.5	Low	57 Å²	57	143.2 Å²	143.2	40%	0.399	70%	0.7	S	S	.	*			trans	-86.1	167.3	-165.3	79.7	0	0	0	0	113.8	E762 D763	S760-E762 PolarHBondContact O-N 3.15Å; S760-E762 PolarHBondContact OG-N 3.48Å; S760-D763 WeakPolarHBondContact CB-OD2 3.43Å; S760-D763 PolarHBondContact N-OD2 2.73Å; S760-D763 PolarHBondContact OG-N 2.72Å; S760-D763 PolarHBondContact OG-OD2 3.3Å
761	K	54.3	Low	54.9	Low	203 Å²	203	146 Å²	146	88%	0.883	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-22.3	172.8	-170.1	176.3	180	-178.9	0	112.5
762	E	56.3	Low	57.4	Low	147 Å²	147	143.8 Å²	143.8	69%	0.687	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-40.7	-175.9	-173.1	157.9	-150.2	0	0	112.2	S760 K764 K765 K766	S760-E762 PolarHBondContact O-N 3.15Å; S760-E762 PolarHBondContact OG-N 3.48Å; E762-K764 PolarHBondContact O-N 2.86Å; E762-K765 WeakPolarHBondContact O-CA 3.49Å; E762-K765 VanDerWaalsContact O-CB 3.32Å; E762-K765 WeakPolarHBondContact O-CB 3.04Å; E762-K765 PolarHBondContact O-N 2.65Å; E762-K766 PolarHBondContact O-N 2.91Å
763	D	64.1	Low	59.9	Low	68 Å²	68	142.6 Å²	142.6	36%	0.364	67%	0.665	S	S	.	*	H	α-helix	trans	-55.9	-42.8	174.2	-56.2	-65.3	0	0	0	111.3	K759 S760 K765 K766 E767	K759-D763 HydrophobicContact CD-CB 4.26Å; K759-D763 HydrophobicContact CG-CB 3.96Å; K759-D763 WeakPolarHBondContact CG-OD2 3.43Å; S760-D763 WeakPolarHBondContact CB-OD2 3.43Å; S760-D763 PolarHBondContact N-OD2 2.73Å; S760-D763 PolarHBondContact OG-N 2.72Å; S760-D763 PolarHBondContact OG-OD2 3.3Å; D763-K765 VanDerWaalsContact C-N 3.25Å; D763-K765 PolarHBondContact O-N 2.99Å; D763-K766 PolarHBondContact O-N 3.11Å; D763-E767 WeakPolarHBondContact O-CB 3.23Å; D763-E767 PolarHBondContact O-N 3.06Å
764	K	64.4	Low	62.1	Low	165 Å²	165	143.1 Å²	143.1	72%	0.717	67%	0.665	S	S	*	*	H	α-helix	trans	-70.3	-18.3	178.6	-167.1	167.4	-175.5	171.6	0	113.4	E762	E762-K764 PolarHBondContact O-N 2.86Å
765	K	69.3	Low	64.3	Low	142 Å²	142	146.9 Å²	146.9	62%	0.617	67%	0.665	S	S	*	*	H	α-helix	trans	-78.1	-47.3	169.5	-176.1	-170.7	171.4	-165.7	0	110.1	E762 D763 K768 E769	E762-K765 WeakPolarHBondContact O-CA 3.49Å; E762-K765 VanDerWaalsContact O-CB 3.32Å; E762-K765 WeakPolarHBondContact O-CB 3.04Å; E762-K765 PolarHBondContact O-N 2.65Å; D763-K765 VanDerWaalsContact C-N 3.25Å; D763-K765 PolarHBondContact O-N 2.99Å; K765-K768 PolarHBondContact O-N 3.1Å; K765-E769 PolarHBondContact O-N 2.92Å; K765-E769 VanDerWaalsContact O-N 3.14Å
766	K	74.5	Confident	66.4	Low	141 Å²	141	145.9 Å²	145.9	61%	0.613	66%	0.661	S	S	*	*	H	α-helix	trans	-60	-47.8	179.1	-170	175.1	-177.9	178.1	0	112.1	E762 D763 K768 E769 D770	E762-K766 PolarHBondContact O-N 2.91Å; D763-K766 PolarHBondContact O-N 3.11Å; K766-K768 VanDerWaalsContact C-N 3.27Å; K766-K768 PolarHBondContact O-N 2.88Å; K766-E769 WeakPolarHBondContact O-CA 3.3Å; K766-E769 WeakPolarHBondContact O-CB 3.35Å; K766-E769 PolarHBondContact O-N 2.76Å; K766-D770 PolarHBondContact O-N 2.69Å
767	E	74	Confident	68.8	Low	114 Å²	114	142 Å²	142	53%	0.533	65%	0.646	S	S	.	*	H	α-helix	trans	-55.8	-39.4	177.6	-166	169.3	164.3	0	0	112.4	K759 D763 E771	K759-E767 IonicContact NZ-OE2 3.43Å; K759-E767 PolarHBondContact NZ-OE2 3.28Å; D763-E767 WeakPolarHBondContact O-CB 3.23Å; D763-E767 PolarHBondContact O-N 3.06Å; E767-E771 PolarHBondContact O-N 2.99Å; E767-E771 VanDerWaalsContact O-N 3.15Å
768	K	70.8	Confident	70.9	Confident	154 Å²	154	139.9 Å²	139.9	67%	0.67	64%	0.637	S	S	*	*	H	α-helix	trans	-74.4	-25.3	176	-171.6	173.6	-177.6	177.2	0	113.6	K765 K766 K772	K765-K768 PolarHBondContact O-N 3.1Å; K766-K768 VanDerWaalsContact C-N 3.27Å; K766-K768 PolarHBondContact O-N 2.88Å; K768-K772 WeakPolarHBondContact O-CB 3.35Å; K768-K772 PolarHBondContact O-N 3.45Å
769	E	77.9	Confident	72.9	Confident	119 Å²	119	137.5 Å²	137.5	56%	0.556	63%	0.627	S	S	*	*	H	α-helix	trans	-79.9	-39.7	177.4	-171	145.8	-139.4	0	0	111.4	K765 K766 K772 K773	K765-E769 PolarHBondContact O-N 2.92Å; K765-E769 VanDerWaalsContact O-N 3.14Å; K766-E769 WeakPolarHBondContact O-CA 3.3Å; K766-E769 WeakPolarHBondContact O-CB 3.35Å; K766-E769 PolarHBondContact O-N 2.76Å; E769-K772 PolarHBondContact O-N 3.31Å; E769-K773 WeakPolarHBondContact O-CB 3.36Å; E769-K773 PolarHBondContact O-N 2.87Å
770	D	80.4	Confident	75	Confident	88 Å²	88	136.3 Å²	136.3	47%	0.471	62%	0.623	S	S	.	*	H	α-helix	trans	-64.8	-39.9	171.7	-75.1	-42.7	0	0	0	112.2	K766 K772 K773 K774	K766-D770 PolarHBondContact O-N 2.69Å; D770-K772 PolarHBondContact O-N 2.7Å; D770-K773 WeakPolarHBondContact O-CB 3.34Å; D770-K773 PolarHBondContact O-N 2.96Å; D770-K774 WeakPolarHBondContact O-CB 3.43Å; D770-K774 PolarHBondContact O-N 2.99Å
771	E	80.4	Confident	76.2	Confident	139 Å²	139	140.9 Å²	140.9	65%	0.65	64%	0.636	S	S	*	*	H	α-helix	trans	-59.7	-46	172.5	-172.3	-176.9	-150.2	0	0	111.6	E767 K773 K774 M775	E767-E771 PolarHBondContact O-N 2.99Å; E767-E771 VanDerWaalsContact O-N 3.15Å; E771-K773 VanDerWaalsContact C-N 3.32Å; E771-K773 PolarHBondContact O-N 3.22Å; E771-K774 PolarHBondContact O-N 2.77Å; E771-M775 WeakPolarHBondContact O-CB 3.13Å; E771-M775 PolarHBondContact O-N 2.98Å
772	K	81.4	Confident	77.7	Confident	156 Å²	156	136.9 Å²	136.9	68%	0.678	62%	0.62	S	S	*	*	H	α-helix	trans	-62	-38	176.7	-174.2	-176.8	178.4	-171.3	0	112	K768 E769 D770 K776	K768-K772 WeakPolarHBondContact O-CB 3.35Å; K768-K772 PolarHBondContact O-N 3.45Å; E769-K772 PolarHBondContact O-N 3.31Å; D770-K772 PolarHBondContact O-N 2.7Å; K772-K776 PolarHBondContact O-N 2.98Å; K772-K776 VanDerWaalsContact O-N 3.13Å
773	K	81	Confident	79.2	Confident	145 Å²	145	137 Å²	137	63%	0.63	62%	0.619	S	S	*	*	H	α-helix	trans	-65.2	-48.7	175.7	-168.4	177.8	-179.2	-176.8	0	111.2	E769 D770 E771 M775 K776 E777	E769-K773 WeakPolarHBondContact O-CB 3.36Å; E769-K773 PolarHBondContact O-N 2.87Å; D770-K773 WeakPolarHBondContact O-CB 3.34Å; D770-K773 PolarHBondContact O-N 2.96Å; E771-K773 VanDerWaalsContact C-N 3.32Å; E771-K773 PolarHBondContact O-N 3.22Å; K773-M775 VanDerWaalsContact C-N 3.31Å; K773-M775 PolarHBondContact O-N 3.43Å; K773-K776 WeakPolarHBondContact O-CB 3.17Å; K773-K776 PolarHBondContact O-N 3.32Å; K773-K776 VanDerWaalsContact O-N 3.13Å; K773-E777 PolarHBondContact O-N 2.95Å
774	K	82.8	Confident	80.5	Confident	160 Å²	160	137.7 Å²	137.7	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-61	-36.2	176.7	-163.5	171.6	-171.4	173.4	0	112.5	D770 E771 K778	D770-K774 WeakPolarHBondContact O-CB 3.43Å; D770-K774 PolarHBondContact O-N 2.99Å; E771-K774 PolarHBondContact O-N 2.77Å; K774-K778 PolarHBondContact O-N 3.14Å; K774-K778 VanDerWaalsContact O-N 3.11Å
775	M	77	Confident	81.6	Confident	150 Å²	150	136.4 Å²	136.4	74%	0.739	62%	0.621	S	S	*	*	H	α-helix	trans	-68.9	-37.3	174.6	-160.2	-173.5	-142.6	0	0	112.8	E771 K773 K779	E771-M775 WeakPolarHBondContact O-CB 3.13Å; E771-M775 PolarHBondContact O-N 2.98Å; K773-M775 VanDerWaalsContact C-N 3.31Å; K773-M775 PolarHBondContact O-N 3.43Å; M775-K779 PolarHBondContact O-N 3.49Å
776	K	81.4	Confident	82.4	Confident	151 Å²	151	136.9 Å²	136.9	66%	0.657	62%	0.624	S	S	*	*	H	α-helix	trans	-64.1	-48	174.8	-171.7	-172.4	175.7	-167.7	0	111.1	K772 K773 K778 K779 E780	K772-K776 PolarHBondContact O-N 2.98Å; K772-K776 VanDerWaalsContact O-N 3.13Å; K773-K776 WeakPolarHBondContact O-CB 3.17Å; K773-K776 PolarHBondContact O-N 3.32Å; K773-K776 VanDerWaalsContact O-N 3.13Å; K776-K778 PolarHBondContact O-N 2.87Å; K776-K779 PolarHBondContact O-N 3.41Å; K776-E780 PolarHBondContact O-N 3.07Å
777	E	86.4	Confident	83	Confident	128 Å²	128	134.7 Å²	134.7	60%	0.598	62%	0.615	S	S	*	*	H	α-helix	trans	-59.4	-44.5	178.7	-169.1	-169.6	152.4	0	0	112.1	K773 K779 E780 K781	K773-E777 PolarHBondContact O-N 2.95Å; E777-K779 VanDerWaalsContact C-N 3.32Å; E777-K779 PolarHBondContact O-N 3.08Å; E777-E780 PolarHBondContact O-N 2.95Å; E777-E780 VanDerWaalsContact O-N 3.16Å; E777-K781 PolarHBondContact O-N 2.97Å
778	K	83.6	Confident	83.5	Confident	161 Å²	161	136.5 Å²	136.5	70%	0.7	62%	0.622	S	S	*	*	H	α-helix	trans	-58.3	-42.4	175.8	-175	172.7	-179.4	174.6	0	112.4	K774 K776 E780 K781 E782	K774-K778 PolarHBondContact O-N 3.14Å; K774-K778 VanDerWaalsContact O-N 3.11Å; K776-K778 PolarHBondContact O-N 2.87Å; K778-E780 VanDerWaalsContact C-N 3.33Å; K778-K781 PolarHBondContact O-N 3.04Å; K778-E782 PolarHBondContact O-N 2.68Å
779	K	85.1	Confident	84.1	Confident	157 Å²	157	131.9 Å²	131.9	68%	0.683	61%	0.612	S	S	*	*	H	α-helix	trans	-68.1	-31.6	178.5	-172.1	176.1	-178.4	178.5	0	112.6	M775 K776 E777 K783	M775-K779 PolarHBondContact O-N 3.49Å; K776-K779 PolarHBondContact O-N 3.41Å; E777-K779 VanDerWaalsContact C-N 3.32Å; E777-K779 PolarHBondContact O-N 3.08Å; K779-K783 PolarHBondContact O-N 2.9Å
780	E	87.6	Confident	84.4	Confident	118 Å²	118	132 Å²	132	55%	0.551	61%	0.611	S	S	*	*	H	α-helix	trans	-72.9	-42	175.4	-171.1	149.5	-153.6	0	0	111.6	K776 E777 K778 E782 K783 V784	K776-E780 PolarHBondContact O-N 3.07Å; E777-E780 PolarHBondContact O-N 2.95Å; E777-E780 VanDerWaalsContact O-N 3.16Å; K778-E780 VanDerWaalsContact C-N 3.33Å; E780-E782 PolarHBondContact O-N 2.76Å; E780-K783 WeakPolarHBondContact O-CB 3.29Å; E780-K783 PolarHBondContact O-N 3.39Å; E780-K783 VanDerWaalsContact O-N 3.17Å; E780-V784 PolarHBondContact O-N 2.95Å; E780-V784 VanDerWaalsContact O-N 3.07Å
781	K	88.3	Confident	84.6	Confident	153 Å²	153	133.6 Å²	133.6	67%	0.665	61%	0.614	S	S	*	*	H	α-helix	trans	-60.3	-44.4	173.8	-161.3	168.3	-174.3	171.2	0	112.3	E777 K778 K783 V784 E785	E777-K781 PolarHBondContact O-N 2.97Å; K778-K781 PolarHBondContact O-N 3.04Å; K781-K783 VanDerWaalsContact C-N 3.33Å; K781-K783 PolarHBondContact O-N 3.28Å; K781-V784 PolarHBondContact O-N 2.84Å; K781-E785 PolarHBondContact O-N 2.92Å
782	E	85.3	Confident	84.6	Confident	118 Å²	118	132 Å²	132	55%	0.551	61%	0.606	S	S	*	*	H	α-helix	trans	-60.1	-39.6	174.1	-169.3	-166.6	147.3	0	0	112.2	K778 E780 E785 K786	K778-E782 PolarHBondContact O-N 2.68Å; E780-E782 PolarHBondContact O-N 2.76Å; E782-E785 PolarHBondContact O-N 3.35Å; E782-K786 VanDerWaalsContact O-CB 3.31Å; E782-K786 WeakPolarHBondContact O-CB 3.33Å; E782-K786 PolarHBondContact O-N 3.45Å
783	K	88.6	Confident	84.5	Confident	151 Å²	151	132.3 Å²	132.3	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-63	-44.6	176.8	-173.7	-170.6	173.6	-164.9	0	111.6	K779 E780 K781 K786 E787	K779-K783 PolarHBondContact O-N 2.9Å; E780-K783 WeakPolarHBondContact O-CB 3.29Å; E780-K783 PolarHBondContact O-N 3.39Å; E780-K783 VanDerWaalsContact O-N 3.17Å; K781-K783 VanDerWaalsContact C-N 3.33Å; K781-K783 PolarHBondContact O-N 3.28Å; K783-K786 PolarHBondContact O-N 2.72Å; K783-E787 PolarHBondContact O-N 2.85Å; K783-E787 VanDerWaalsContact O-N 3.08Å
784	V	90.7	Very high	84.5	Confident	81 Å²	81	130 Å²	130	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-64.9	-42.2	178.3	172.7	0	0	0	0	111.6	E780 K781 E787 K788	E780-V784 PolarHBondContact O-N 2.95Å; E780-V784 VanDerWaalsContact O-N 3.07Å; K781-V784 PolarHBondContact O-N 2.84Å; V784-E787 PolarHBondContact O-N 2.7Å; V784-K788 PolarHBondContact O-N 3.5Å
785	E	87.5	Confident	84.4	Confident	138 Å²	138	130.5 Å²	130.5	65%	0.645	60%	0.601	S	S	*	*	H	α-helix	trans	-63.4	-43.7	177.4	-170.8	175.7	172.5	0	0	111.8	K781 E782 E787 K788 A789	K781-E785 PolarHBondContact O-N 2.92Å; E782-E785 PolarHBondContact O-N 3.35Å; E785-E787 VanDerWaalsContact C-N 3.27Å; E785-E787 PolarHBondContact O-N 2.92Å; E785-K788 WeakPolarHBondContact O-CB 3.31Å; E785-K788 PolarHBondContact O-N 3.13Å; E785-A789 PolarHBondContact O-N 3.11Å
786	K	85.9	Confident	84.4	Confident	153 Å²	153	130.1 Å²	130.1	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-62.7	-32.3	175.3	-165.4	170.4	-171.4	168.5	0	112.8	E782 K783 K790	E782-K786 VanDerWaalsContact O-CB 3.31Å; E782-K786 WeakPolarHBondContact O-CB 3.33Å; E782-K786 PolarHBondContact O-N 3.45Å; K783-K786 PolarHBondContact O-N 2.72Å; K786-K790 PolarHBondContact O-N 3.03Å; K786-K790 VanDerWaalsContact O-N 3.16Å
787	E	86.1	Confident	84.1	Confident	94 Å²	94	131.1 Å²	131.1	44%	0.439	60%	0.6	S	S	.	*	H	α-helix	trans	-74.1	-41.1	174	-157.3	-165.7	128.4	0	0	112.4	K783 V784 E785 A789 K790 K791	K783-E787 PolarHBondContact O-N 2.85Å; K783-E787 VanDerWaalsContact O-N 3.08Å; V784-E787 PolarHBondContact O-N 2.7Å; E785-E787 VanDerWaalsContact C-N 3.27Å; E785-E787 PolarHBondContact O-N 2.92Å; E787-A789 VanDerWaalsContact C-N 3.33Å; E787-A789 PolarHBondContact O-N 2.94Å; E787-K790 WeakPolarHBondContact O-CB 3.43Å; E787-K790 PolarHBondContact O-N 3.18Å; E787-K790 VanDerWaalsContact O-N 3.17Å; E787-K791 PolarHBondContact O-N 3.42Å; E787-K791 VanDerWaalsContact OE1-CE 3.28Å; E787-K791 WeakPolarHBondContact OE1-CE 3.26Å; E787-K791 IonicContact OE1-NZ 2.64Å; E787-K791 PolarHBondContact OE1-NZ 3.09Å
788	K	85.7	Confident	83.3	Confident	152 Å²	152	128 Å²	128	66%	0.661	60%	0.595	S	S	*	*	H	α-helix	trans	-56.2	-47.8	170.9	-79.8	-172.4	174.4	-176.2	0	111.1	V784 E785 K790 K791 E792	V784-K788 PolarHBondContact O-N 3.5Å; E785-K788 WeakPolarHBondContact O-CB 3.31Å; E785-K788 PolarHBondContact O-N 3.13Å; K788-K790 VanDerWaalsContact C-N 3.29Å; K788-K790 PolarHBondContact O-N 2.87Å; K788-K791 PolarHBondContact O-N 2.92Å; K788-E792 PolarHBondContact O-N 3.33Å
789	A	82.6	Confident	82.6	Confident	57 Å²	57	121.8 Å²	121.8	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-61.2	-34.3	177.4	0	0	0	0	0	113	E785 E787 K793	E785-A789 PolarHBondContact O-N 3.11Å; E787-A789 VanDerWaalsContact C-N 3.33Å; E787-A789 PolarHBondContact O-N 2.94Å; A789-K793 WeakPolarHBondContact O-CB 3.39Å; A789-K793 PolarHBondContact O-N 2.83Å; A789-K793 VanDerWaalsContact O-N 3.13Å
790	K	84.9	Confident	81.6	Confident	121 Å²	121	122.3 Å²	122.3	53%	0.526	58%	0.58	S	S	.	*	H	α-helix	trans	-65.9	-50	172.6	-171.2	-177.1	-176.8	-89.2	0	111.4	K786 E787 K788 E792 K793 E794	K786-K790 PolarHBondContact O-N 3.03Å; K786-K790 VanDerWaalsContact O-N 3.16Å; E787-K790 WeakPolarHBondContact O-CB 3.43Å; E787-K790 PolarHBondContact O-N 3.18Å; E787-K790 VanDerWaalsContact O-N 3.17Å; K788-K790 VanDerWaalsContact C-N 3.29Å; K788-K790 PolarHBondContact O-N 2.87Å; K790-E792 VanDerWaalsContact C-N 3.33Å; K790-E792 PolarHBondContact O-N 3.22Å; K790-K793 PolarHBondContact O-N 3.31Å; K790-E794 WeakPolarHBondContact CE-OE1 3.34Å; K790-E794 IonicContact NZ-OE1 2.73Å; K790-E794 PolarHBondContact NZ-OE1 3.42Å; K790-E794 IonicContact NZ-OE2 3.2Å; K790-E794 PolarHBondContact O-N 2.87Å
791	K	84.5	Confident	80.3	Confident	123 Å²	123	125.1 Å²	125.1	54%	0.535	59%	0.59	S	S	.	*	H	α-helix	trans	-61	-39.4	179.5	-77.5	172	170.9	164.2	0	112.2	E787 K788 E794 K795	E787-K791 PolarHBondContact O-N 3.42Å; E787-K791 VanDerWaalsContact OE1-CE 3.28Å; E787-K791 WeakPolarHBondContact OE1-CE 3.26Å; E787-K791 IonicContact OE1-NZ 2.64Å; E787-K791 PolarHBondContact OE1-NZ 3.09Å; K788-K791 PolarHBondContact O-N 2.92Å; K791-E794 PolarHBondContact O-N 3.06Å; K791-K795 WeakPolarHBondContact O-CB 3.25Å; K791-K795 PolarHBondContact O-N 2.82Å
792	E	80.8	Confident	78.9	Confident	104 Å²	104	125.7 Å²	125.7	49%	0.486	59%	0.592	S	S	.	*	H	α-helix	trans	-65.2	-42.2	174.8	-163.2	-154.7	130.9	0	0	112	K788 K790 E794 K795 K796	K788-E792 PolarHBondContact O-N 3.33Å; K790-E792 VanDerWaalsContact C-N 3.33Å; K790-E792 PolarHBondContact O-N 3.22Å; E792-E794 VanDerWaalsContact C-N 3.33Å; E792-E794 PolarHBondContact O-N 3.06Å; E792-K795 PolarHBondContact O-N 3.23Å; E792-K796 PolarHBondContact O-N 3.14Å; E792-K796 WeakPolarHBondContact OE1-CE 3.25Å; E792-K796 IonicContact OE1-NZ 2.68Å; E792-K796 PolarHBondContact OE1-NZ 3.24Å
793	K	79.5	Confident	77.5	Confident	164 Å²	164	124.9 Å²	124.9	71%	0.713	59%	0.592	S	S	*	*	H	α-helix	trans	-66.1	-35	177.4	-165.1	170.5	-173.4	173.7	0	112.3	A789 K790 K797	A789-K793 WeakPolarHBondContact O-CB 3.39Å; A789-K793 PolarHBondContact O-N 2.83Å; A789-K793 VanDerWaalsContact O-N 3.13Å; K790-K793 PolarHBondContact O-N 3.31Å; K793-K797 WeakPolarHBondContact O-CB 3.46Å; K793-K797 PolarHBondContact O-N 2.84Å; K793-K797 VanDerWaalsContact O-N 3.07Å
794	E	81.1	Confident	75.9	Confident	97 Å²	97	123.3 Å²	123.3	45%	0.453	59%	0.585	S	S	.	*	H	α-helix	trans	-68.3	-43.9	170.8	-75.8	168	171.7	0	0	111.4	K790 K791 E792 K796 K797 A798	K790-E794 WeakPolarHBondContact CE-OE1 3.34Å; K790-E794 IonicContact NZ-OE1 2.73Å; K790-E794 PolarHBondContact NZ-OE1 3.42Å; K790-E794 IonicContact NZ-OE2 3.2Å; K790-E794 PolarHBondContact O-N 2.87Å; K791-E794 PolarHBondContact O-N 3.06Å; E792-E794 VanDerWaalsContact C-N 3.33Å; E792-E794 PolarHBondContact O-N 3.06Å; E794-K796 PolarHBondContact O-N 3.3Å; E794-K797 CarbonylContact O-C 3.32Å; E794-K797 PolarHBondContact O-N 2.88Å; E794-K797 VanDerWaalsContact O-N 3.11Å; E794-A798 PolarHBondContact O-N 2.86Å
795	K	80	Confident	73.8	Confident	169 Å²	169	121 Å²	121	74%	0.735	58%	0.578	S	S	*	*	H	α-helix	trans	-60.8	-42.3	175.8	-163.8	175.1	-175	-178.8	0	112.3	K791 E792 A798 G799	K791-K795 WeakPolarHBondContact O-CB 3.25Å; K791-K795 PolarHBondContact O-N 2.82Å; E792-K795 PolarHBondContact O-N 3.23Å; K795-A798 PolarHBondContact O-N 2.85Å; K795-G799 PolarHBondContact O-N 2.74Å
796	K	77.8	Confident	72.1	Confident	143 Å²	143	119 Å²	119	62%	0.622	58%	0.575	S	S	*	*	H	α-helix	trans	-64.5	-35.8	173	-77.6	174.9	169.6	170.4	0	112.7	E792 E794 K800	E792-K796 PolarHBondContact O-N 3.14Å; E792-K796 WeakPolarHBondContact OE1-CE 3.25Å; E792-K796 IonicContact OE1-NZ 2.68Å; E792-K796 PolarHBondContact OE1-NZ 3.24Å; E794-K796 PolarHBondContact O-N 3.3Å; K796-K800 PolarHBondContact O-N 3.06Å
797	K	73.6	Confident	70.3	Confident	172 Å²	172	118.5 Å²	118.5	75%	0.748	58%	0.575	S	S	*	*	H	α-helix	trans	-73	-29.7	175.4	-163.3	176.8	-176.4	-173.6	0	112.6	K793 E794 K801	K793-K797 WeakPolarHBondContact O-CB 3.46Å; K793-K797 PolarHBondContact O-N 2.84Å; K793-K797 VanDerWaalsContact O-N 3.07Å; E794-K797 CarbonylContact O-C 3.32Å; E794-K797 PolarHBondContact O-N 2.88Å; E794-K797 VanDerWaalsContact O-N 3.11Å; K797-K801 PolarHBondContact O-N 2.93Å
798	A	70.8	Confident	68.5	Low	61 Å²	61	119.6 Å²	119.6	50%	0.504	58%	0.58	S	S	.	*	H	α-helix	trans	-72.8	-46	173.2	0	0	0	0	0	112	E794 K795 K800 K801 K802	E794-A798 PolarHBondContact O-N 2.86Å; K795-A798 PolarHBondContact O-N 2.85Å; A798-K800 PolarHBondContact O-N 2.84Å; A798-K801 WeakPolarHBondContact O-CA 3.35Å; A798-K801 WeakPolarHBondContact O-CB 3.35Å; A798-K801 PolarHBondContact O-N 3.11Å; A798-K802 PolarHBondContact O-N 3.23Å; A798-K802 VanDerWaalsContact O-N 3.11Å
799	G	67.4	Low	66.7	Low	31 Å²	31	118.3 Å²	118.3	32%	0.32	58%	0.581	S	S	.	*	H	α-helix	trans	-54	-54.1	175.2	0	0	0	0	0	112	K795 K801 K802 D803	K795-G799 PolarHBondContact O-N 2.74Å; G799-K801 PolarHBondContact O-N 3.45Å; G799-K802 WeakPolarHBondContact O-CA 3.44Å; G799-K802 WeakPolarHBondContact O-CB 3.35Å; G799-K802 PolarHBondContact O-N 3.01Å; G799-D803 PolarHBondContact O-N 2.79Å
800	K	65.9	Low	64.9	Low	169 Å²	169	117.7 Å²	117.7	74%	0.735	58%	0.58	S	S	*	*	H	α-helix	trans	-63.5	-10.9	177.3	-165.9	161.4	-172.1	167.9	0	114.8	K796 A798	K796-K800 PolarHBondContact O-N 3.06Å; A798-K800 PolarHBondContact O-N 2.84Å
801	K	59.4	Low	63.1	Low	176 Å²	176	115.3 Å²	115.3	77%	0.765	58%	0.583	S	S	*	*	H	α-helix	trans	-92.1	-22.4	170.8	-144.6	-169.6	-176.7	-161.1	0	112.5	K797 A798 G799	K797-K801 PolarHBondContact O-N 2.93Å; A798-K801 WeakPolarHBondContact O-CA 3.35Å; A798-K801 WeakPolarHBondContact O-CB 3.35Å; A798-K801 PolarHBondContact O-N 3.11Å; G799-K801 PolarHBondContact O-N 3.45Å
802	K	58.4	Low	61.2	Low	165 Å²	165	114 Å²	114	72%	0.717	59%	0.585	S	S	*	*	H	α-helix	trans	-79.6	-46	174.2	-158.1	180	-175.9	-171.7	0	110.7	A798 G799 K804 G805 T806	A798-K802 PolarHBondContact O-N 3.23Å; A798-K802 VanDerWaalsContact O-N 3.11Å; G799-K802 WeakPolarHBondContact O-CA 3.44Å; G799-K802 WeakPolarHBondContact O-CB 3.35Å; G799-K802 PolarHBondContact O-N 3.01Å; K802-K804 VanDerWaalsContact C-N 3.34Å; K802-K804 PolarHBondContact O-N 3.33Å; K802-G805 WeakPolarHBondContact O-CA 3.49Å; K802-G805 PolarHBondContact O-N 3.37Å; K802-T806 PolarHBondContact O-N 3.43Å; K802-T806 PolarHBondContact O-OG1 3.35Å
803	D	56.2	Low	59.4	Low	102 Å²	102	112.2 Å²	112.2	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-55.1	-47.1	-180	-53	-37.4	0	0	0	112	G799 G805 T806 E807	G799-D803 PolarHBondContact O-N 2.79Å; D803-G805 PolarHBondContact O-N 3.2Å; D803-T806 WeakPolarHBondContact O-CB 3.27Å; D803-T806 PolarHBondContact O-N 3.3Å; D803-E807 PolarHBondContact O-N 3.29Å
804	K	54.9	Low	57.7	Low	117 Å²	117	108.2 Å²	108.2	51%	0.509	59%	0.586	S	S	.	*	H	α-helix	trans	-64	-26.5	177.8	-162.5	-178.1	-175.9	-77.2	0	113.5	K802 T806 E808	K802-K804 VanDerWaalsContact C-N 3.34Å; K802-K804 PolarHBondContact O-N 3.33Å; K804-T806 VanDerWaalsContact C-N 3.33Å; K804-E808 IonicContact NZ-OE1 2.72Å; K804-E808 PolarHBondContact NZ-OE1 3.46Å
805	G	47.6	Very low	56	Low	34 Å²	34	107.3 Å²	107.3	35%	0.351	60%	0.595	S	S	.	*	H	α-helix	trans	-76.2	-21.1	174.2	0	0	0	0	0	113.3	K802 D803 N809	K802-G805 WeakPolarHBondContact O-CA 3.49Å; K802-G805 PolarHBondContact O-N 3.37Å; D803-G805 PolarHBondContact O-N 3.2Å; G805-N809 PolarHBondContact O-ND2 2.8Å
806	T	50.7	Low	54.5	Low	95 Å²	95	107.4 Å²	107.4	58%	0.583	60%	0.596	S	S	*	*	H	α-helix	trans	-78.9	-38.9	174.7	-41.1	0	0	0	0	111.2	K802 D803 K804 N809 G810	K802-T806 PolarHBondContact O-N 3.43Å; K802-T806 PolarHBondContact O-OG1 3.35Å; D803-T806 WeakPolarHBondContact O-CB 3.27Å; D803-T806 PolarHBondContact O-N 3.3Å; K804-T806 VanDerWaalsContact C-N 3.33Å; T806-N809 PolarHBondContact O-N 3.43Å; T806-G810 PolarHBondContact O-N 3.18Å
807	E	48.8	Very low	53	Low	142 Å²	142	108 Å²	108	66%	0.664	61%	0.605	S	S	*	*	H	α-helix	trans	-61.9	-43.8	178	-68.9	-179.8	123.2	0	0	112.7	D803 N809 G810 A811	D803-E807 PolarHBondContact O-N 3.29Å; E807-N809 VanDerWaalsContact C-N 3.3Å; E807-N809 PolarHBondContact O-N 2.9Å; E807-G810 PolarHBondContact O-N 3.27Å; E807-A811 PolarHBondContact O-N 2.87Å; E807-A811 VanDerWaalsContact O-N 3.12Å
808	E	47.7	Very low	51.8	Low	117 Å²	117	104.8 Å²	104.8	55%	0.547	61%	0.605	S	S	.	*	H	α-helix	trans	-67.1	-28.3	-179.2	-73.6	172.3	-179.6	0	0	112.9	K804 T812	K804-E808 IonicContact NZ-OE1 2.72Å; K804-E808 PolarHBondContact NZ-OE1 3.46Å; E808-T812 PolarHBondContact O-OG1 3.26Å; E808-T812 VanDerWaalsContact O-OG1 3.11Å
809	N	47.6	Very low	50.3	Low	125 Å²	125	111.7 Å²	111.7	67%	0.668	64%	0.641	S	S	*	*	H	α-helix	trans	-83.4	-27.9	174.2	-73.5	-19.6	0	0	0	113.3	G805 T806 E807 T812	G805-N809 PolarHBondContact O-ND2 2.8Å; T806-N809 PolarHBondContact O-N 3.43Å; E807-N809 VanDerWaalsContact C-N 3.3Å; E807-N809 PolarHBondContact O-N 2.9Å; N809-T812 PolarHBondContact O-OG1 3.39Å
810	G	45.7	Very low	49.5	Very low	44 Å²	44	115.8 Å²	115.8	45%	0.454	66%	0.657	S	S	.	*	H	α-helix	trans	-68.6	-42.9	173.2	0	0	0	0	0	112.3	T806 E807 T812 A813	T806-G810 PolarHBondContact O-N 3.18Å; E807-G810 PolarHBondContact O-N 3.27Å; G810-T812 PolarHBondContact O-N 3.31Å; G810-A813 PolarHBondContact O-N 3.44Å
811	A	45.6	Very low	48.6	Very low	71 Å²	71	112.9 Å²	112.9	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-65.7	-20.2	-179.1	0	0	0	0	0	114.4	E807	E807-A811 PolarHBondContact O-N 2.87Å; E807-A811 VanDerWaalsContact O-N 3.12Å
812	T	44.7	Very low	48	Very low	95 Å²	95	109.4 Å²	109.4	58%	0.583	65%	0.647	S	S	*	*	H	α-helix	trans	-93.3	-14	-179.9	39.5	0	0	0	0	114.1	E808 N809 G810	E808-T812 PolarHBondContact O-OG1 3.26Å; E808-T812 VanDerWaalsContact O-OG1 3.11Å; N809-T812 PolarHBondContact O-OG1 3.39Å; G810-T812 PolarHBondContact O-N 3.31Å
813	A	43.7	Very low	47.4	Very low	67 Å²	67	106.2 Å²	106.2	55%	0.554	64%	0.643	S	S	*	*	H	α-helix	trans	-82.3	-44.4	171.3	0	0	0	0	0	111.9	G810 A815 K816	G810-A813 PolarHBondContact O-N 3.44Å; A813-A815 PolarHBondContact O-N 3.17Å; A813-K816 PolarHBondContact O-N 3.34Å
814	A	43.2	Very low	46.8	Very low	80 Å²	80	106.4 Å²	106.4	66%	0.661	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-2.3	-176.4	0	0	0	0	0	115.3
815	A	46.7	Very low	46.3	Very low	79 Å²	79	105.7 Å²	105.7	65%	0.653	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	17.4	-178.4	0	0	0	0	0	113.7	A813	A813-A815 PolarHBondContact O-N 3.17Å
816	K	47.6	Very low	46.2	Very low	171 Å²	171	110.9 Å²	110.9	74%	0.743	68%	0.68	S	S	*	*	S	Bend	trans	-123.6	-20	180	-77.5	-169.9	171	-171.9	0	116.2	A813 S818	A813-K816 PolarHBondContact O-N 3.34Å; K816-S818 VanDerWaalsContact C-N 3.27Å; K816-S818 PolarHBondContact O-N 3.43Å
817	D	46.5	Very low	45.9	Very low	154 Å²	154	112.1 Å²	112.1	82%	0.824	69%	0.688	S	S	*	*	S	Bend	trans	-92	47.9	173.5	-66	-44.1	0	0	0	111.6
818	S	47.8	Very low	45.6	Very low	106 Å²	106	109.6 Å²	109.6	74%	0.741	69%	0.69	S	S	*	*			trans	-153.6	44.9	-177.4	-65.5	0	0	0	0	113.4	K816	K816-S818 VanDerWaalsContact C-N 3.27Å; K816-S818 PolarHBondContact O-N 3.43Å
819	T	40.6	Very low	45.4	Very low	206 Å²	206	108.9 Å²	108.9	100%	1.264	70%	0.703	S	S	*	*			trans	-149.4	0	165.5	43	0	0	0	0	108.8

Retrieved 819 of 819 residues in 1459.5 ms (Link to these results)

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