A0A087XH26_POEFO Loading...

Probable ATP-dependent RNA helicase DDX46

Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing. Within the 17S U2 SnRNP complex, DDX46 plays essential roles during assembly of pre-spliceosome and proofreading of the branch site.

AlphaFold DB , UniProt , Accession A0A087XH26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,069 aa.

						>A0A087XH26_POEFO|A0A087XH26
MGRESRHYRKRSASRGRSGTRSKSRSPDNKRSKKDDRDRSRRDRSRSRDRRRSRSRDRKRARRSRSRDRRRSRSRERKRSRSRSRTRRSRTGSPAKSKKSDEKAKSKEKEKESVDPVSEKKKVKEEKEDEKVEDVSSKQDFDQNKLEEEMRKRKERVEKWREEQRKKAIENIGEIKKELEEMKQGKKWSLEDDDDDDEEGPALMEVDEDEEEGEGKEEGKEKDAEEVKKEEGEAEKEAPMEQQVEEDEVDPLDAYMEEVKQEVKKFNIGAMKGNDKKGATTVTKVVTVVKTKKQPMTHKKKGELMENDQDAMEYSSEEEEVDLQTALTGFQTKQRKVLEPVDHTKIQYESYRKNFYVEVPELAKMTTEEVNAYRLELEGIIVKGKGCPKPIRTWVQCGVSMKILNSLKKHAYEKPTPIQAQAIPAIMSGRDLIGIAKTGSGKTIAFLLPMFRHIMDQRPLEEGEGPISVIMTPTRELALQITKECKKFSKPLGLRVVCVYGGTGISEQIAELKRGAEIIVCTPGRMIDMLGANSGRVTNLRRVTYVVLDEADRMFDMGFEPQVMRIVDNVRPDRQTVMFSATFPRAMEALARRILAKPLEVQVGGRSVVCSDVEQHVLVIDEEKKFLKLLEILGHYQEKGSVIIFVDKQEHADGLLKDLMKASYPCLSLHGGIDQYDRDSIINDFKTGVCRLMVATSVAARGLDVKQLILVVNYSCPNHYEDYVHRAGRTGRAGNKGYAYTFITEDQARYAGDILKALELSGSAVPPELEQLWASFKDQQKAEGKVIKSSSGFSGKGFKFDETEHALANERKKLQKAALGLQDSDDEDGALDIEEQIESMFNSKKRVKDLSAPGAATGPAGAVTAAAAAPGGPAGLMPGSAGNNQKLEMAKRLALKINAQKNLGAEAQDVMQQATNAILRGDPIMTPSVSAKTIAEQLAEKINAKLNYTPVEKLEEERQAAEQAETVKRYEEELEINDFPQTARWKVTSKEALQRIGEYSEAAITIRGTYFPPGKEPKEGERKIYLAIESASELAVQKAKTEITRLIKEELIRLQNSYQPTSKGRYKVL
					

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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	35.1	Very low	35.2	Very low	254 Å²	254	178.2 Å²	178.2	100%	1.251	80%	0.804	S	S	*	*				0	140.6	0	-48.1	174	-166.3	0	0	106.7
2	G	33.3	Very low	34.9	Very low	69 Å²	69	173.6 Å²	173.6	71%	0.711	81%	0.809	S	S	*	*			cis	161.2	141	-11.7	0	0	0	0	0	111.5
3	R	33.9	Very low	34.7	Very low	216 Å²	216	167.2 Å²	167.2	82%	0.815	80%	0.804	S	S	*	*			trans	68.7	158.3	171.2	-61.4	172.4	173.7	-110.8	10.5	115.7
4	E	38	Very low	34.5	Very low	139 Å²	139	162.4 Å²	162.4	65%	0.65	80%	0.797	S	S	*	*			cis	-158.7	-177.5	-17.9	-111.2	156.9	169.7	0	0	109.3
5	S	39.9	Very low	34.4	Very low	93 Å²	93	167.5 Å²	167.5	65%	0.65	80%	0.804	S	S	*	*				-170.5	165.6	-73.4	-158.7	0	0	0	0	111
6	R	37.2	Very low	34.1	Very low	200 Å²	200	161.9 Å²	161.9	76%	0.755	80%	0.804	S	S	*	*			trans	69.7	166.5	160.5	-56.9	172.9	-174.9	177.9	1.6	117.4
7	H	37.8	Very low	34	Very low	152 Å²	152	166.2 Å²	166.2	70%	0.704	81%	0.809	S	S	*	*			cis	-168.4	145.7	-32.6	-98.4	-31.8	0	0	0	110
8	Y	33.5	Very low	33.8	Very low	184 Å²	184	162.7 Å²	162.7	72%	0.722	80%	0.804	S	S	*	*				167.6	124.4	117.8	-107.9	-102.6	0	0	0	108.1
9	R	33.9	Very low	33.7	Very low	191 Å²	191	158 Å²	158	72%	0.721	80%	0.801	S	S	*	*			cis	92.8	100.2	36.5	-174.5	-160.4	-160.6	-172.5	5.6	113.2
10	K	31.7	Very low	33.6	Very low	213 Å²	213	157.4 Å²	157.4	93%	0.926	81%	0.806	S	S	*	*			trans	-154	131.2	138.7	-111.9	168.2	-172.8	175.4	0	111.7
11	R	32.9	Very low	33.7	Very low	249 Å²	249	160.1 Å²	160.1	94%	0.94	81%	0.806	S	S	*	*			trans	-113.4	146.3	161.2	-86.2	-177.6	172.3	176.2	-1.7	106.9
12	S	32	Very low	33.6	Very low	123 Å²	123	152.7 Å²	152.7	86%	0.86	78%	0.779	S	S	*	*			trans	-145.4	143.1	154.3	50	0	0	0	0	108.2
13	A	31.8	Very low	33.6	Very low	90 Å²	90	158.6 Å²	158.6	74%	0.744	79%	0.785	S	S	*	*			trans	-147.4	140.2	-169.9	0	0	0	0	0	113.1
14	S	31.5	Very low	33.9	Very low	101 Å²	101	153.2 Å²	153.2	71%	0.706	78%	0.781	S	S	*	*			trans	64.7	129.5	152.7	73.8	0	0	0	0	119.6
15	R	33.1	Very low	33.4	Very low	239 Å²	239	158.4 Å²	158.4	90%	0.902	79%	0.794	S	S	*	*				167.7	122.8	101.4	-92.3	168.8	174.9	-173.5	-2.5	114.4
16	G	29.2	Very low	33.3	Very low	78 Å²	78	159.4 Å²	159.4	80%	0.804	80%	0.801	S	S	*	*			trans	75.5	173.1	143.8	0	0	0	0	0	118.8
17	R	32.6	Very low	33.8	Very low	235 Å²	235	155.1 Å²	155.1	89%	0.887	80%	0.799	S	S	*	*			cis	-160.5	131.9	-17.2	-154.3	-170.3	174.2	174.9	-2.7	111.5
18	S	31.8	Very low	33.8	Very low	103 Å²	103	154.5 Å²	154.5	72%	0.72	80%	0.801	S	S	*	*			trans	18.2	114.1	158.8	60.2	0	0	0	0	121
19	G	31.3	Very low	33.7	Very low	73 Å²	73	153.3 Å²	153.3	75%	0.753	81%	0.807	S	S	*	*			trans	-92.9	-153.3	166.4	0	0	0	0	0	115.1
20	T	31.8	Very low	33.9	Very low	146 Å²	146	152.6 Å²	152.6	90%	0.896	81%	0.81	S	S	*	*			trans	-147.8	139.6	-174.3	18.6	0	0	0	0	116.1
21	R	34.4	Very low	33.9	Very low	214 Å²	214	153.7 Å²	153.7	81%	0.808	81%	0.808	S	S	*	*			trans	-9.1	147.7	141.2	-112.9	174.1	168.1	-168.7	-7	115.8
22	S	34.5	Very low	34	Very low	99 Å²	99	147.2 Å²	147.2	69%	0.692	80%	0.8	S	S	*	*			cis	178.6	166.8	38.8	48.2	0	0	0	0	115.7
23	K	33.6	Very low	34	Very low	192 Å²	192	150 Å²	150	84%	0.835	80%	0.797	S	S	*	*			trans	50.8	102.9	143.7	-80.8	-169.2	171.2	-170.8	0	121.9
24	S	38.9	Very low	34	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	80%	0.795	S	S	*	*				38.6	122.8	117.4	64.7	0	0	0	0	122.3
25	R	28.7	Very low	34.1	Very low	249 Å²	249	154.5 Å²	154.5	94%	0.94	79%	0.793	S	S	*	*			trans	-162.5	150.7	142	-109.2	170.6	-177.1	178.4	-1.5	111.2
26	S	38.1	Very low	34.1	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	78%	0.779	S	S	*	*			trans	-105.2	170	158.8	-35.5	0	0	0	0	107.6
27	P	47.4	Very low	34.2	Very low	109 Å²	109	154.6 Å²	154.6	71%	0.708	78%	0.778	S	S	*	*				-150.9	179.8	56.1	42.3	-21	0	0	0	118.1
28	D	37.9	Very low	34.3	Very low	139 Å²	139	148.6 Å²	148.6	74%	0.743	76%	0.763	S	S	*	*			trans	32.9	130.6	146.7	-63.1	-45	0	0	0	123.9
29	N	31.3	Very low	34.3	Very low	160 Å²	160	153.6 Å²	153.6	86%	0.856	77%	0.766	S	S	*	*				-156.5	172.5	101.9	-141.7	-28.7	0	0	0	113.1
30	K	38.1	Very low	34.4	Very low	176 Å²	176	153.7 Å²	153.7	77%	0.765	76%	0.756	S	S	*	*			trans	-116.9	161.2	-163.7	-54.3	168.7	-179.2	171.4	0	114.4
31	R	30.4	Very low	34.5	Very low	236 Å²	236	157.8 Å²	157.8	89%	0.891	75%	0.754	S	S	*	*				-172.4	122.4	124.8	-109.2	173.1	-179.2	-173.3	0.2	116.8
32	S	36.3	Very low	34.4	Very low	112 Å²	112	157.2 Å²	157.2	78%	0.783	75%	0.753	S	S	*	*			trans	67	156.6	147.4	73.6	0	0	0	0	118.6
33	K	31.4	Very low	34.3	Very low	181 Å²	181	156.5 Å²	156.5	79%	0.787	74%	0.741	S	S	*	*			cis	-161.9	136.4	8.4	-147.8	176.3	-176.2	-177.8	0	110.7
34	K	32.4	Very low	34.2	Very low	164 Å²	164	157.5 Å²	157.5	71%	0.713	74%	0.739	S	S	*	*			trans	54.8	161.8	153.4	-73.2	-173.4	144.6	-71.1	0	118.6
35	D	31.9	Very low	33.8	Very low	122 Å²	122	157 Å²	157	65%	0.652	74%	0.736	S	S	*	*			cis	-163.8	169.9	-11.3	-92.2	-16.6	0	0	0	104.5
36	D	33.5	Very low	33.7	Very low	114 Å²	114	156.5 Å²	156.5	61%	0.61	73%	0.734	S	S	*	*			cis	-166.1	169.1	-28.9	-174.4	17.2	0	0	0	107.5
37	R	32.2	Very low	33.4	Very low	205 Å²	205	155.5 Å²	155.5	77%	0.774	73%	0.727	S	S	*	*			trans	68.8	105.2	159.8	-76	162	-142.8	-144	-2.1	125.1
38	D	34.6	Very low	32.6	Very low	109 Å²	109	161.3 Å²	161.3	58%	0.583	74%	0.735	S	S	*	*				74.2	131.1	100.3	-129.2	-8.4	0	0	0	124.4
39	R	32.3	Very low	32.3	Very low	208 Å²	208	160.2 Å²	160.2	79%	0.785	73%	0.729	S	S	*	*			trans	59.9	162.1	152.7	-79.6	159.4	-130.4	-172.4	12.1	122.6
40	S	31.9	Very low	32.2	Very low	76 Å²	76	163 Å²	163	53%	0.531	73%	0.727	S	S	.	*			cis	-176.6	155	-45.3	66.1	0	0	0	0	111.3
41	R	33.6	Very low	31.9	Very low	231 Å²	231	166 Å²	166	87%	0.872	73%	0.734	S	S	*	*			trans	70.4	160.9	157.1	-67.6	163.8	-179.2	179.1	0.5	114.9
42	R	33.8	Very low	31.9	Very low	203 Å²	203	164.6 Å²	164.6	77%	0.766	73%	0.729	S	S	*	*			cis	-152.2	153.3	12.5	-146.6	-169.5	171.9	139.5	1	113.7
43	D	32	Very low	31.5	Very low	83 Å²	83	165.2 Å²	165.2	44%	0.444	73%	0.733	S	S	.	*			trans	46.4	121.6	143.1	-76.4	-20.2	0	0	0	121.6
44	R	31	Very low	31.5	Very low	213 Å²	213	166.7 Å²	166.7	80%	0.804	73%	0.734	S	S	*	*				75.8	148.4	76.2	-76.9	-173.7	-171	123.6	-4	113.5
45	S	31	Very low	31.3	Very low	92 Å²	92	164.3 Å²	164.3	64%	0.643	74%	0.737	S	S	*	*			cis	-178.6	160.3	-8.7	51.7	0	0	0	0	110.5
46	R	27.3	Very low	31.5	Very low	239 Å²	239	168.2 Å²	168.2	90%	0.902	74%	0.743	S	S	*	*			trans	160.3	158.7	144.1	-90.4	156.9	-179.7	173	-0.3	110.6
47	S	31.1	Very low	31.4	Very low	94 Å²	94	168 Å²	168	66%	0.657	74%	0.742	S	S	*	*			cis	-176.2	140.5	-49.7	47.3	0	0	0	0	111.5
48	R	30.7	Very low	31.5	Very low	231 Å²	231	167.7 Å²	167.7	87%	0.872	74%	0.741	S	S	*	*			trans	67.7	157.5	162.7	-73.5	176	-179.4	174.4	1	116.4
49	D	31.1	Very low	31.2	Very low	115 Å²	115	172.8 Å²	172.8	62%	0.615	76%	0.758	S	S	*	*			cis	-144.4	-178.1	0.7	-132.5	-44.4	0	0	0	115.9
50	R	30.6	Very low	31.2	Very low	219 Å²	219	174.8 Å²	174.8	83%	0.826	77%	0.765	S	S	*	*			trans	-68.5	165.2	-175.2	-61.8	149.4	176.4	172.3	-5.6	113.2
51	R	30.3	Very low	31.1	Very low	239 Å²	239	175.4 Å²	175.4	90%	0.902	78%	0.775	S	S	*	*				-152.3	135.7	58.6	-62.9	171.8	-177.9	-171.1	-1.4	110.6
52	R	30	Very low	30.9	Very low	207 Å²	207	175.9 Å²	175.9	78%	0.781	78%	0.777	S	S	*	*				44.9	119.7	88.3	-80	-169.9	-178.8	-175.8	3.2	114.4
53	S	29.3	Very low	30.8	Very low	125 Å²	125	178.2 Å²	178.2	87%	0.874	79%	0.785	S	S	*	*				-126.9	-169.1	78.8	50.3	0	0	0	0	115
54	R	30.6	Very low	30.7	Very low	212 Å²	212	180 Å²	180	80%	0.8	81%	0.805	S	S	*	*			trans	-150	141.6	-165.1	-77.7	177.8	166.1	174.3	-7.4	116.3
55	S	29.1	Very low	30.9	Very low	113 Å²	113	181.9 Å²	181.9	79%	0.79	81%	0.812	S	S	*	*			trans	-167.7	159.2	160.5	55.3	0	0	0	0	108.1
56	R	34.7	Very low	30.8	Very low	204 Å²	204	182.8 Å²	182.8	77%	0.77	82%	0.818	S	S	*	*			cis	84.5	145.6	-26.7	-64.5	-170.6	-172.9	-168.4	2.6	120.7
57	D	32.1	Very low	31.3	Very low	110 Å²	110	181.3 Å²	181.3	59%	0.588	81%	0.812	S	S	*	*			cis	-131.9	134.5	6.5	-114.9	-19.5	0	0	0	112.9
58	R	34.3	Very low	31.3	Very low	199 Å²	199	183.2 Å²	183.2	75%	0.751	82%	0.815	S	S	*	*				58.1	119.9	105.2	-78.8	-177.5	173.6	169	-10.1	119.6
59	K	28.7	Very low	31.3	Very low	216 Å²	216	182.4 Å²	182.4	94%	0.939	81%	0.812	S	S	*	*				-158.1	148.7	125.2	-113	166	-174.8	172.7	0	113.1
60	R	31.6	Very low	31.3	Very low	249 Å²	249	188 Å²	188	94%	0.94	83%	0.825	S	S	*	*			trans	-94.6	179.9	165.6	-66	173.2	162.4	173.8	-6.5	107.9
61	A	30.2	Very low	31.2	Very low	89 Å²	89	187.9 Å²	187.9	74%	0.736	82%	0.824	S	S	*	*			cis	-146.6	-158	12	0	0	0	0	0	108.7
62	R	29.8	Very low	31.2	Very low	241 Å²	241	180.9 Å²	180.9	91%	0.909	81%	0.812	S	S	*	*			cis	-138.1	-177	16.1	-63.5	177.2	176.7	-178	-1.2	110.6
63	R	31.5	Very low	31	Very low	252 Å²	252	182.9 Å²	182.9	95%	0.951	82%	0.819	S	S	*	*			trans	-138.3	141.8	161.3	-93.7	-175.3	173.1	174.5	-1.4	108.7
64	S	30.8	Very low	31.1	Very low	121 Å²	121	182.1 Å²	182.1	85%	0.846	81%	0.814	S	S	*	*			trans	-158.3	161.1	162.8	50.7	0	0	0	0	110.2
65	R	34	Very low	31	Very low	253 Å²	253	183.2 Å²	183.2	96%	0.955	82%	0.818	S	S	*	*			trans	-151.4	128	-175.7	-86	-178.9	167.4	169.2	-6.3	112.7
66	S	30.2	Very low	31	Very low	110 Å²	110	184.2 Å²	184.2	77%	0.769	81%	0.81	S	S	*	*			trans	-160.7	125	160.2	46.7	0	0	0	0	107.2
67	R	36.1	Very low	30.6	Very low	209 Å²	209	183.4 Å²	183.4	79%	0.789	81%	0.807	S	S	*	*				43	119.7	91	-74.3	-172	170	177.3	-4.2	112.7
68	D	32.3	Very low	30.5	Very low	134 Å²	134	185.6 Å²	185.6	72%	0.717	81%	0.811	S	S	*	*			cis	-144.4	-134.1	3.8	-141.6	-109.3	0	0	0	109.2
69	R	29.7	Very low	30.1	Very low	213 Å²	213	186.8 Å²	186.8	80%	0.804	82%	0.816	S	S	*	*			cis	-165.6	112.4	-1.9	-143.6	170.7	-153.2	-178.6	5	110.7
70	R	30.6	Very low	30.1	Very low	234 Å²	234	181.3 Å²	181.3	88%	0.883	81%	0.805	S	S	*	*			trans	62.3	170	168.4	-68.4	175.6	179.7	-177.9	0.3	116.1
71	R	29.1	Very low	30	Very low	216 Å²	216	180.7 Å²	180.7	82%	0.815	80%	0.803	S	S	*	*			cis	-168.9	146.3	-33	-176.2	-173.3	-158.4	-174.6	5	110.1
72	S	29.9	Very low	30	Very low	91 Å²	91	181.1 Å²	181.1	64%	0.636	80%	0.8	S	S	*	*			trans	67.8	129.9	155.4	49.8	0	0	0	0	125
73	R	26.7	Very low	30	Very low	249 Å²	249	181.2 Å²	181.2	94%	0.94	80%	0.801	S	S	*	*			trans	67.4	158.3	149.9	-63	166.3	179.5	168.4	-3	116.6
74	S	30.2	Very low	29.9	Very low	110 Å²	110	173.5 Å²	173.5	77%	0.769	79%	0.785	S	S	*	*			cis	-135.1	160.6	0.4	42.8	0	0	0	0	109.7
75	R	29.7	Very low	29.9	Very low	234 Å²	234	178.7 Å²	178.7	88%	0.883	79%	0.786	S	S	*	*				73.3	139.9	53.7	-134.2	-174.5	-161.7	-174.7	5.3	114.2
76	E	28	Very low	29.6	Very low	134 Å²	134	172.4 Å²	172.4	63%	0.626	78%	0.776	S	S	*	*			trans	84	152.4	174.6	-56.6	-148.3	100.8	0	0	117.1
77	R	28.1	Very low	29.5	Very low	188 Å²	188	178 Å²	178	71%	0.709	78%	0.78	S	S	*	*			cis	-151	132.9	-1.6	-118.9	160.4	-154.4	178.8	18.7	109.2
78	K	28.2	Very low	29.1	Very low	155 Å²	155	179.3 Å²	179.3	67%	0.674	79%	0.785	S	S	*	*				59.4	129.2	99.7	-67	-169.9	-178.8	175.1	0	119.1
79	R	27.9	Very low	29.1	Very low	224 Å²	224	177.9 Å²	177.9	85%	0.845	79%	0.786	S	S	*	*			trans	69.9	155.9	145.7	-72.5	175.6	178.5	175.2	-4.3	117.3
80	S	28.4	Very low	29.2	Very low	101 Å²	101	178.2 Å²	178.2	71%	0.706	79%	0.787	S	S	*	*			cis	-169	151.1	-12.5	43.8	0	0	0	0	113.8
81	R	28.8	Very low	29.2	Very low	237 Å²	237	173.5 Å²	173.5	89%	0.894	78%	0.784	S	S	*	*			trans	50.8	130.4	149.4	-84.9	-176.2	170.3	161	-2.8	122.9
82	S	31.1	Very low	29.1	Very low	97 Å²	97	166.5 Å²	166.5	68%	0.678	78%	0.78	S	S	*	*			trans	81.1	123.9	130.6	64.6	0	0	0	0	124.5
83	R	29.5	Very low	29	Very low	244 Å²	244	168 Å²	168	92%	0.921	79%	0.79	S	S	*	*			trans	64.7	140.3	133.6	-69.1	174.9	178.3	170.3	-2.4	118.4
84	S	29.4	Very low	30.3	Very low	90 Å²	90	162.5 Å²	162.5	63%	0.629	79%	0.787	S	S	*	*			cis	-167.1	172.4	0.3	61.7	0	0	0	0	113.2
85	R	31.1	Very low	30.6	Very low	229 Å²	229	161.7 Å²	161.7	86%	0.864	79%	0.786	S	S	*	*			trans	69.9	154.9	166	-60.7	167.6	172.5	165.4	-2.8	114.5
86	T	26.9	Very low	31	Very low	122 Å²	122	159.8 Å²	159.8	75%	0.748	78%	0.784	S	S	*	*			cis	-167.4	167.1	40.4	-40.2	0	0	0	0	112.9
87	R	29	Very low	31.6	Very low	227 Å²	227	158.3 Å²	158.3	86%	0.857	79%	0.789	S	S	*	*			trans	85.2	130.3	165.6	-56.1	-179.6	177.1	177.7	-2.1	116
88	R	26.3	Very low	32	Very low	237 Å²	237	159 Å²	159	89%	0.894	80%	0.797	S	S	*	*			cis	81.7	144.4	36.9	-76.7	-166.1	173.9	177.7	-1.6	113.8
89	S	31.8	Very low	32.4	Very low	103 Å²	103	161.5 Å²	161.5	72%	0.72	81%	0.808	S	S	*	*			cis	-172.9	-174.9	-11.2	50.9	0	0	0	0	108
90	R	31.8	Very low	33.1	Very low	221 Å²	221	155 Å²	155	83%	0.834	80%	0.797	S	S	*	*			cis	-165.8	-171.5	18	-159.2	-164.9	168.8	-166.1	-3.1	109.2
91	T	31.1	Very low	33.5	Very low	134 Å²	134	157 Å²	157	82%	0.822	80%	0.8	S	S	*	*			trans	95.6	137.8	157.6	72	0	0	0	0	118.8
92	G	26.9	Very low	34.3	Very low	70 Å²	70	152.6 Å²	152.6	72%	0.722	79%	0.79	S	S	*	*			cis	175.7	151.8	-8.4	0	0	0	0	0	117.5
93	S	28	Very low	34.7	Very low	121 Å²	121	155.8 Å²	155.8	85%	0.846	79%	0.791	S	S	*	*			trans	-176.2	167.2	170	-85.1	0	0	0	0	109.2
94	P	54.6	Low	35.3	Very low	135 Å²	135	148.4 Å²	148.4	88%	0.877	78%	0.782	S	S	*	*			cis	-115.2	-142.8	-43.8	38	-24.1	0	0	0	109.7
95	A	37.3	Very low	35.8	Very low	92 Å²	92	153.9 Å²	153.9	76%	0.76	80%	0.795	S	S	*	*			trans	-123.4	151.6	-163.6	0	0	0	0	0	118.1
96	K	36.6	Very low	36.4	Very low	194 Å²	194	147.6 Å²	147.6	84%	0.843	79%	0.786	S	S	*	*			trans	62.8	91	150.9	-74.4	-176.6	175.4	178.9	0	122.8
97	S	41.1	Very low	37	Very low	104 Å²	104	149.6 Å²	149.6	73%	0.727	78%	0.784	S	S	*	*				56.7	128	114.1	66.4	0	0	0	0	124.5
98	K	37.1	Very low	37.2	Very low	202 Å²	202	145.5 Å²	145.5	88%	0.878	78%	0.775	S	S	*	*				-172.1	139.7	120.8	-110.7	174.4	-178.3	175.6	0	115.8
99	K	36.1	Very low	37.8	Very low	207 Å²	207	141.2 Å²	141.2	90%	0.9	76%	0.762	S	S	*	*			trans	62.2	170.7	152.4	-86.2	-164.3	169.8	-165.7	0	123
100	S	42.5	Very low	37.8	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	76%	0.758	S	S	*	*			trans	-109.5	-174.1	-165.8	50.2	0	0	0	0	112.1
101	D	37.1	Very low	38	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	75%	0.749	S	S	*	*			cis	-152	-174.3	26.6	-101	-65.9	0	0	0	113
102	E	45.7	Very low	38.1	Very low	145 Å²	145	139.7 Å²	139.7	68%	0.678	74%	0.742	S	S	*	*			trans	-122.4	164.6	-164.7	35	118.2	67.9	0	0	118.7
103	K	38.2	Very low	38.2	Very low	164 Å²	164	141 Å²	141	71%	0.713	74%	0.74	S	S	*	*			trans	147.8	163.5	147	-78.7	150.3	-152.2	67.4	0	113.5
104	A	43.7	Very low	38.2	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	74%	0.739	S	S	*	*			cis	-174.3	164.8	-32.3	0	0	0	0	0	113.1
105	K	38.3	Very low	37.1	Very low	205 Å²	205	142.4 Å²	142.4	89%	0.891	74%	0.735	S	S	*	*			trans	71.4	155.6	166.4	-74.5	-171.2	175.9	-178.5	0	120.7
106	S	44.2	Very low	37.8	Very low	97 Å²	97	143 Å²	143	68%	0.678	73%	0.732	S	S	*	*			cis	-178	160.1	-27.7	56.2	0	0	0	0	114.3
107	K	39.2	Very low	37.4	Very low	165 Å²	165	140.3 Å²	140.3	72%	0.717	73%	0.731	S	S	*	*			trans	84.1	171.2	169.4	-68.7	-144.2	167.2	-73.2	0	119
108	E	34.1	Very low	36.8	Very low	141 Å²	141	140.1 Å²	140.1	66%	0.659	73%	0.73	S	S	*	*				175.4	167.3	-50.3	-94.5	163	-123.9	0	0	109.8
109	K	37.9	Very low	36.4	Very low	146 Å²	146	137.8 Å²	137.8	64%	0.635	72%	0.722	S	S	*	*			cis	-179.3	140	-18.2	173.2	177.2	179.5	-71.9	0	112.6
110	E	33.6	Very low	36	Very low	133 Å²	133	136.7 Å²	136.7	62%	0.621	72%	0.717	S	S	*	*			trans	68.1	171.4	164	-89.6	149.6	-129.7	0	0	120.5
111	K	35.1	Very low	35.6	Very low	150 Å²	150	142 Å²	142	65%	0.652	73%	0.729	S	S	*	*			cis	-142	-113.4	12.7	-143.3	177.2	-159.5	-56.4	0	119.3
112	E	32.2	Very low	35.2	Very low	143 Å²	143	144.6 Å²	144.6	67%	0.668	73%	0.734	S	S	*	*			trans	-156.6	173.1	-150.4	-80.3	144.7	-135.5	0	0	113.4
113	S	29	Very low	34.3	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	74%	0.744	S	S	*	*			cis	-178.2	-178.4	-27.7	65.7	0	0	0	0	112.9
114	V	28.9	Very low	34.2	Very low	135 Å²	135	144.7 Å²	144.7	82%	0.818	74%	0.744	S	S	*	*			trans	92.1	136.7	167.7	-159.7	0	0	0	0	120.9
115	D	30.8	Very low	33.8	Very low	149 Å²	149	147.6 Å²	147.6	80%	0.797	74%	0.742	S	S	*	*			trans	-82.1	-167.4	176	-60.3	-82.8	0	0	0	114.2
116	P	52.3	Low	33.6	Very low	106 Å²	106	146.8 Å²	146.8	69%	0.688	74%	0.742	S	S	*	*			cis	-147.2	-175.3	5.2	46.8	-26.9	0	0	0	119.4
117	V	28.6	Very low	33	Very low	136 Å²	136	151.1 Å²	151.1	82%	0.824	75%	0.748	S	S	*	*			trans	69.2	137.8	152.8	157.7	0	0	0	0	117.6
118	S	28.1	Very low	32.8	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	75%	0.752	S	S	*	*			cis	-163.7	166.6	-6.9	51.6	0	0	0	0	114.5
119	E	29.3	Very low	32.9	Very low	154 Å²	154	151.1 Å²	151.1	72%	0.72	76%	0.755	S	S	*	*			trans	87.5	153.6	145.3	-126.2	-164.8	-122.3	0	0	122.9
120	K	28.1	Very low	32.8	Very low	184 Å²	184	153.2 Å²	153.2	80%	0.8	77%	0.767	S	S	*	*			trans	75.5	161.5	172.3	-66.4	-174.4	175	71.1	0	118.4
121	K	33.5	Very low	32.9	Very low	199 Å²	199	155.4 Å²	155.4	87%	0.865	78%	0.775	S	S	*	*			trans	-146.6	140.6	-151.5	-177.2	-178.7	-174.9	177.7	0	109.2
122	K	29.4	Very low	33.2	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	77%	0.773	S	S	*	*			trans	70.7	105.8	-169.6	-58.3	-178	172.7	-173	0	114.7
123	V	26.7	Very low	33.5	Very low	147 Å²	147	154.1 Å²	154.1	89%	0.891	78%	0.778	S	S	*	*				-123.9	161.4	96.8	177.3	0	0	0	0	107
124	K	34.8	Very low	34.2	Very low	164 Å²	164	154.7 Å²	154.7	71%	0.713	77%	0.773	S	S	*	*			trans	-131.7	164.7	177.1	-178.8	-178.5	172.5	-82.6	0	107.4
125	E	36.1	Very low	35.2	Very low	148 Å²	148	152.3 Å²	152.3	69%	0.692	76%	0.758	S	S	*	*			trans	75.5	166.3	-172.3	-72.3	102.3	-119.6	0	0	114.4
126	E	34	Very low	35.9	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	74%	0.741	S	S	*	*	S	Bend	trans	66.8	39.4	-176	-59.4	-172.7	-172.2	0	0	118.2
127	K	32.4	Very low	35.7	Very low	188 Å²	188	146 Å²	146	82%	0.817	73%	0.728	S	S	*	*	S	Bend	trans	-161.9	52.5	154.5	-128.2	163.7	-170.9	167.1	0	119.4
128	E	34.3	Very low	36.8	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	71%	0.712	S	S	*	*	S	Bend	trans	-124.2	-21.7	170.6	-67.6	-167	124.3	0	0	115.7
129	D	37	Very low	37.9	Very low	134 Å²	134	146.5 Å²	146.5	72%	0.717	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-72.1	-36.1	-169.7	-51.2	-81.2	0	0	0	114.9	K131 V132	D129-K131 PolarHBondContact O-N 3.1Å; D129-V132 PolarHBondContact O-N 3.06Å
130	E	34.2	Very low	39	Very low	190 Å²	190	143 Å²	143	89%	0.888	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-68.5	7.4	-175.3	-152	-178.7	-152.3	0	0	114.2
131	K	35.9	Very low	40.1	Very low	180 Å²	180	141 Å²	141	78%	0.783	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-121.6	2.2	-177	-143.7	175.9	-174.6	178.1	0	114.8	D129	D129-K131 PolarHBondContact O-N 3.1Å
132	V	42.4	Very low	41.3	Very low	101 Å²	101	135.8 Å²	135.8	61%	0.612	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-39.3	-178.3	-175.4	0	0	0	0	111.8	D129 D134 V135 S136	D129-V132 PolarHBondContact O-N 3.06Å; V132-D134 PolarHBondContact O-N 3.49Å; V132-V135 PolarHBondContact O-N 2.94Å; V132-S136 PolarHBondContact O-N 3.19Å
133	E	38.3	Very low	42.6	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	65%	0.652	S	S	*	*	H	α-helix	trans	-64.7	-39	-173.5	-61	-163.2	146.8	0	0	113.9	V135 S136 S137	E133-V135 PolarHBondContact O-N 3.06Å; E133-V135 VanDerWaalsContact O-N 3.1Å; E133-S136 PolarHBondContact O-N 3.34Å; E133-S137 PolarHBondContact O-N 3.05Å; E133-S137 PolarHBondContact O-OG 3.45Å
134	D	43.1	Very low	44.3	Very low	110 Å²	110	129.7 Å²	129.7	59%	0.588	64%	0.637	S	S	*	*	H	α-helix	trans	-74.5	4.1	-179.7	-165.7	45.3	0	0	0	113.9	V132 K138	V132-D134 PolarHBondContact O-N 3.49Å; D134-K138 PolarHBondContact O-NZ 3.26Å; D134-K138 IonicContact OD1-NZ 3.4Å; D134-K138 PolarHBondContact OD1-NZ 2.88Å; D134-K138 IonicContact OD2-NZ 2.71Å; D134-K138 PolarHBondContact OD2-NZ 3.49Å
135	V	49.2	Very low	45.9	Very low	85 Å²	85	127.4 Å²	127.4	52%	0.515	63%	0.627	S	S	.	*	H	α-helix	trans	-101.9	-43.7	168.9	-174.3	0	0	0	0	110.9	V132 E133 S137 K138 Q139	V132-V135 PolarHBondContact O-N 2.94Å; E133-V135 PolarHBondContact O-N 3.06Å; E133-V135 VanDerWaalsContact O-N 3.1Å; V135-S137 PolarHBondContact O-N 3.49Å; V135-K138 PolarHBondContact O-N 3.27Å; V135-Q139 PolarHBondContact O-N 2.87Å
136	S	45.8	Very low	47.2	Very low	61 Å²	61	125.5 Å²	125.5	43%	0.427	62%	0.621	S	S	.	*	H	α-helix	trans	-57.5	-49.7	175.7	-162.2	0	0	0	0	110.9	V132 E133 K138 Q139 D140	V132-S136 PolarHBondContact O-N 3.19Å; E133-S136 PolarHBondContact O-N 3.34Å; S136-K138 PolarHBondContact O-N 3.21Å; S136-Q139 WeakPolarHBondContact O-CA 3.36Å; S136-Q139 PolarHBondContact O-N 2.96Å; S136-D140 VanDerWaalsContact C-OD2 3.28Å; S136-D140 PolarHBondContact O-N 3.07Å; S136-D140 PolarHBondContact OG-OD2 2.83Å
137	S	49.2	Very low	48.8	Very low	61 Å²	61	121.9 Å²	121.9	43%	0.427	60%	0.604	S	S	.	*	H	α-helix	trans	-54.2	-27.8	-177.5	66.5	0	0	0	0	114.4	E133 V135 F141	E133-S137 PolarHBondContact O-N 3.05Å; E133-S137 PolarHBondContact O-OG 3.45Å; V135-S137 PolarHBondContact O-N 3.49Å; S137-F141 WeakPolarHBondContact O-CB 3.39Å; S137-F141 PolarHBondContact O-N 3.26Å
138	K	51.8	Low	50.6	Low	111 Å²	111	116.9 Å²	116.9	48%	0.483	58%	0.583	S	S	.	*	H	α-helix	trans	-85.5	-36.9	176.3	-64.5	-177.6	-174	64.5	0	112.6	D134 V135 S136 F141 D142	D134-K138 PolarHBondContact O-NZ 3.26Å; D134-K138 IonicContact OD1-NZ 3.4Å; D134-K138 PolarHBondContact OD1-NZ 2.88Å; D134-K138 IonicContact OD2-NZ 2.71Å; D134-K138 PolarHBondContact OD2-NZ 3.49Å; V135-K138 PolarHBondContact O-N 3.27Å; S136-K138 PolarHBondContact O-N 3.21Å; K138-F141 PolarHBondContact O-N 3.03Å; K138-D142 PolarHBondContact O-N 3.02Å; K138-D142 VanDerWaalsContact O-N 3.15Å
139	Q	50.9	Low	52.2	Low	136 Å²	136	114.5 Å²	114.5	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-46.9	172	-72.6	-171	-108.6	0	0	110.7	V135 S136 F141 D142 Q143	V135-Q139 PolarHBondContact O-N 2.87Å; S136-Q139 WeakPolarHBondContact O-CA 3.36Å; S136-Q139 PolarHBondContact O-N 2.96Å; Q139-F141 VanDerWaalsContact C-N 3.26Å; Q139-F141 PolarHBondContact O-N 3.4Å; Q139-D142 PolarHBondContact O-N 3.36Å; Q139-Q143 WeakPolarHBondContact O-CB 3.44Å; Q139-Q143 PolarHBondContact O-N 3.4Å
140	D	52.3	Low	53.4	Low	81 Å²	81	113.3 Å²	113.3	43%	0.433	56%	0.564	S	S	.	*	H	α-helix	trans	-61.4	-34.4	178.5	-63.9	-49.9	0	0	0	112	S136 N144	S136-D140 VanDerWaalsContact C-OD2 3.28Å; S136-D140 PolarHBondContact O-N 3.07Å; S136-D140 PolarHBondContact OG-OD2 2.83Å; D140-N144 WeakPolarHBondContact O-CB 3.42Å; D140-N144 PolarHBondContact O-N 3.35Å; D140-N144 PolarHBondContact O-ND2 3.39Å
141	F	50.3	Low	54.9	Low	142 Å²	142	110.8 Å²	110.8	62%	0.623	55%	0.546	S	S	*	.	H	α-helix	trans	-69.5	-48.3	176.4	-174.3	-95.7	0	0	0	113.2	S137 K138 Q139 Q143 K145	S137-F141 WeakPolarHBondContact O-CB 3.39Å; S137-F141 PolarHBondContact O-N 3.26Å; K138-F141 PolarHBondContact O-N 3.03Å; Q139-F141 VanDerWaalsContact C-N 3.26Å; Q139-F141 PolarHBondContact O-N 3.4Å; F141-Q143 VanDerWaalsContact C-N 3.35Å; F141-K145 HydrophobicContact CE1-CD 4.41Å; F141-K145 VanDerWaalsContact O-CB 3.29Å; F141-K145 WeakPolarHBondContact O-CB 3.28Å; F141-K145 PolarHBondContact O-N 3.46Å; F141-K145 VanDerWaalsContact O-N 3.15Å
142	D	59.4	Low	56.9	Low	90 Å²	90	106.1 Å²	106.1	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-71.8	-28.8	176.9	-88	-35.2	0	0	0	112.1	K138 Q139 K145 L146	K138-D142 PolarHBondContact O-N 3.02Å; K138-D142 VanDerWaalsContact O-N 3.15Å; Q139-D142 PolarHBondContact O-N 3.36Å; D142-K145 IonicContact OD1-NZ 3.29Å; D142-K145 PolarHBondContact OD1-NZ 3.47Å; D142-L146 WeakPolarHBondContact O-CB 3.43Å; D142-L146 PolarHBondContact O-N 3.19Å
143	Q	56	Low	57.7	Low	110 Å²	110	109.2 Å²	109.2	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-54.8	171.6	-172.5	87.4	13.5	0	0	111.2	Q139 F141 K145 L146 E147	Q139-Q143 WeakPolarHBondContact O-CB 3.44Å; Q139-Q143 PolarHBondContact O-N 3.4Å; F141-Q143 VanDerWaalsContact C-N 3.35Å; Q143-K145 PolarHBondContact O-N 3.24Å; Q143-L146 WeakPolarHBondContact O-CB 3.46Å; Q143-L146 PolarHBondContact O-N 3.32Å; Q143-L146 VanDerWaalsContact O-N 3.1Å; Q143-E147 PolarHBondContact O-N 2.9Å
144	N	63.4	Low	59	Low	106 Å²	106	108.6 Å²	108.6	57%	0.567	52%	0.521	S	S	*	.	H	α-helix	trans	-57.6	-38.6	177.6	-88	-84.6	0	0	0	112.2	D140 E147 E148	D140-N144 WeakPolarHBondContact O-CB 3.42Å; D140-N144 PolarHBondContact O-N 3.35Å; D140-N144 PolarHBondContact O-ND2 3.39Å; N144-E147 PolarHBondContact O-N 2.7Å; N144-E148 WeakPolarHBondContact O-CB 3.46Å; N144-E148 PolarHBondContact O-N 2.68Å
145	K	68.4	Low	60.4	Low	116 Å²	116	107.6 Å²	107.6	50%	0.504	51%	0.513	S	S	.	.	H	α-helix	trans	-68.1	-36.7	177.5	178.3	176.7	153.6	-149.9	0	112.6	F141 D142 Q143 E149	F141-K145 HydrophobicContact CE1-CD 4.41Å; F141-K145 VanDerWaalsContact O-CB 3.29Å; F141-K145 WeakPolarHBondContact O-CB 3.28Å; F141-K145 PolarHBondContact O-N 3.46Å; F141-K145 VanDerWaalsContact O-N 3.15Å; D142-K145 IonicContact OD1-NZ 3.29Å; D142-K145 PolarHBondContact OD1-NZ 3.47Å; Q143-K145 PolarHBondContact O-N 3.24Å; K145-E149 PolarHBondContact O-N 2.96Å
146	L	62.6	Low	61.4	Low	108 Å²	108	110.9 Å²	110.9	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-66.5	-41.6	172.5	-157.9	85.2	0	0	0	111.3	D142 Q143 E149 M150	D142-L146 WeakPolarHBondContact O-CB 3.43Å; D142-L146 PolarHBondContact O-N 3.19Å; Q143-L146 WeakPolarHBondContact O-CB 3.46Å; Q143-L146 PolarHBondContact O-N 3.32Å; Q143-L146 VanDerWaalsContact O-N 3.1Å; L146-E149 PolarHBondContact O-N 2.91Å; L146-M150 WeakPolarHBondContact O-CB 3.47Å; L146-M150 VanDerWaalsContact O-CG 3.29Å; L146-M150 WeakPolarHBondContact O-CG 3.39Å; L146-M150 PolarHBondContact O-N 3.46Å
147	E	69.1	Low	62.4	Low	114 Å²	114	111.2 Å²	111.2	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-39	175.8	-71.7	-174.3	-168.9	0	0	112.3	Q143 N144 M150 R151	Q143-E147 PolarHBondContact O-N 2.9Å; N144-E147 PolarHBondContact O-N 2.7Å; E147-M150 PolarHBondContact O-N 3.35Å; E147-R151 PolarHBondContact O-N 3.34Å
148	E	69.6	Low	63.1	Low	83 Å²	83	114.5 Å²	114.5	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-67.1	-37.8	175.2	-150.3	-148.7	178.1	0	0	112	N144 R151 K152	N144-E148 WeakPolarHBondContact O-CB 3.46Å; N144-E148 PolarHBondContact O-N 2.68Å; E148-R151 PolarHBondContact O-N 3.28Å; E148-K152 VanDerWaalsContact CD-CE 3.41Å; E148-K152 WeakPolarHBondContact O-CB 3.2Å; E148-K152 WeakPolarHBondContact O-CD 3.29Å; E148-K152 VanDerWaalsContact O-CG 3.26Å; E148-K152 WeakPolarHBondContact O-CG 3.27Å; E148-K152 PolarHBondContact O-N 3.26Å; E148-K152 WeakPolarHBondContact OE1-CE 3.46Å; E148-K152 IonicContact OE1-NZ 3.51Å; E148-K152 PolarHBondContact OE1-NZ 3.2Å; E148-K152 IonicContact OE2-NZ 2.72Å; E148-K152 PolarHBondContact OE2-NZ 3.26Å
149	E	67.7	Low	64.1	Low	121 Å²	121	116.5 Å²	116.5	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-67	-39.4	172.1	-175.6	166.9	-161.5	0	0	111.8	K145 L146 K152 R153	K145-E149 PolarHBondContact O-N 2.96Å; L146-E149 PolarHBondContact O-N 2.91Å; E149-K152 CarbonylContact O-C 3.53Å; E149-K152 PolarHBondContact O-N 3.27Å; E149-R153 WeakPolarHBondContact O-CB 3.35Å; E149-R153 PolarHBondContact O-N 3.38Å
150	M	61.5	Low	65.3	Low	108 Å²	108	117.2 Å²	117.2	53%	0.532	53%	0.53	S	S	.	.	H	α-helix	trans	-65.1	-37.3	174	-76.7	-71.7	-82.4	0	0	112.3	L146 E147 R153 K154	L146-M150 WeakPolarHBondContact O-CB 3.47Å; L146-M150 VanDerWaalsContact O-CG 3.29Å; L146-M150 WeakPolarHBondContact O-CG 3.39Å; L146-M150 PolarHBondContact O-N 3.46Å; E147-M150 PolarHBondContact O-N 3.35Å; M150-R153 WeakPolarHBondContact O-CB 3.26Å; M150-R153 PolarHBondContact O-N 3.04Å; M150-K154 PolarHBondContact O-N 2.93Å
151	R	66.9	Low	65.4	Low	137 Å²	137	121.5 Å²	121.5	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-65.3	-48.1	172.3	-158.4	-174.2	75.5	-136.8	-3.2	110.9	E147 E148 R153 K154 E155	E147-R151 PolarHBondContact O-N 3.34Å; E148-R151 PolarHBondContact O-N 3.28Å; R151-R153 PolarHBondContact O-N 3.3Å; R151-R153 VanDerWaalsContact O-N 3.17Å; R151-K154 PolarHBondContact O-N 3.33Å; R151-K154 VanDerWaalsContact O-N 3.07Å; R151-E155 WeakPolarHBondContact CG-OE1 3.3Å; R151-E155 IonicContact CZ-OE1 3.49Å; R151-E155 IonicContact NE-OE1 3.93Å; R151-E155 PolarHBondContact NE-OE1 2.97Å; R151-E155 IonicContact NH2-OE1 2.59Å; R151-E155 WeakPolarHBondContact O-CB 3.3Å; R151-E155 WeakPolarHBondContact O-CG 3.4Å; R151-E155 PolarHBondContact O-N 2.79Å
152	K	77.6	Confident	66.2	Low	82 Å²	82	120.9 Å²	120.9	36%	0.357	54%	0.539	S	S	.	.	H	α-helix	trans	-61.7	-21.4	172.9	-70.5	165.3	-176.1	170.9	0	112.9	E148 E149 R156	E148-K152 VanDerWaalsContact CD-CE 3.41Å; E148-K152 WeakPolarHBondContact O-CB 3.2Å; E148-K152 WeakPolarHBondContact O-CD 3.29Å; E148-K152 VanDerWaalsContact O-CG 3.26Å; E148-K152 WeakPolarHBondContact O-CG 3.27Å; E148-K152 PolarHBondContact O-N 3.26Å; E148-K152 WeakPolarHBondContact OE1-CE 3.46Å; E148-K152 IonicContact OE1-NZ 3.51Å; E148-K152 PolarHBondContact OE1-NZ 3.2Å; E148-K152 IonicContact OE2-NZ 2.72Å; E148-K152 PolarHBondContact OE2-NZ 3.26Å; E149-K152 CarbonylContact O-C 3.53Å; E149-K152 PolarHBondContact O-N 3.27Å; K152-R156 WeakPolarHBondContact O-CG 3.18Å; K152-R156 PolarHBondContact O-N 2.88Å; K152-R156 PolarHBondContact O-NE 2.92Å
153	R	59.6	Low	66.6	Low	167 Å²	167	121.6 Å²	121.6	63%	0.63	54%	0.539	S	S	*	.	H	α-helix	trans	-80.3	-43.5	171.5	-168.2	173.2	-178	134.6	-0.6	111.4	E149 M150 R151 R156 V157	E149-R153 WeakPolarHBondContact O-CB 3.35Å; E149-R153 PolarHBondContact O-N 3.38Å; M150-R153 WeakPolarHBondContact O-CB 3.26Å; M150-R153 PolarHBondContact O-N 3.04Å; R151-R153 PolarHBondContact O-N 3.3Å; R151-R153 VanDerWaalsContact O-N 3.17Å; R153-R156 PolarHBondContact O-N 3.4Å; R153-V157 WeakPolarHBondContact O-CG2 3.24Å; R153-V157 PolarHBondContact O-N 3.03Å
154	K	65.2	Low	66.9	Low	152 Å²	152	120.1 Å²	120.1	66%	0.661	53%	0.532	S	S	*	.	H	α-helix	trans	-59.2	-51.7	172.2	-74.2	-178.9	175.9	-178.6	0	111.6	M150 R151 R156 V157 E158	M150-K154 PolarHBondContact O-N 2.93Å; R151-K154 PolarHBondContact O-N 3.33Å; R151-K154 VanDerWaalsContact O-N 3.07Å; K154-R156 PolarHBondContact O-N 2.91Å; K154-V157 PolarHBondContact O-N 2.71Å; K154-E158 WeakPolarHBondContact O-CB 3.29Å; K154-E158 PolarHBondContact O-N 2.82Å
155	E	71.3	Confident	67.1	Low	89 Å²	89	124.1 Å²	124.1	42%	0.416	54%	0.539	S	S	.	.	H	α-helix	trans	-53.8	-39.1	176.5	-70.3	164.8	-165.6	0	0	112.1	R151 K159	R151-E155 WeakPolarHBondContact CG-OE1 3.3Å; R151-E155 IonicContact CZ-OE1 3.49Å; R151-E155 IonicContact NE-OE1 3.93Å; R151-E155 PolarHBondContact NE-OE1 2.97Å; R151-E155 IonicContact NH2-OE1 2.59Å; R151-E155 WeakPolarHBondContact O-CB 3.3Å; R151-E155 WeakPolarHBondContact O-CG 3.4Å; R151-E155 PolarHBondContact O-N 2.79Å; E155-K159 WeakPolarHBondContact O-CB 3.37Å; E155-K159 PolarHBondContact O-N 2.87Å
156	R	70.3	Confident	67.3	Low	154 Å²	154	124.5 Å²	124.5	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-71.1	-40.6	175.8	-81.2	179.7	-70.9	174.6	-1.4	113.4	K152 R153 K154 W160	K152-R156 WeakPolarHBondContact O-CG 3.18Å; K152-R156 PolarHBondContact O-N 2.88Å; K152-R156 PolarHBondContact O-NE 2.92Å; R153-R156 PolarHBondContact O-N 3.4Å; K154-R156 PolarHBondContact O-N 2.91Å; R156-W160 VanDerWaalsContact O-CB 3.26Å; R156-W160 WeakPolarHBondContact O-CB 3.33Å; R156-W160 PolarHBondContact O-N 2.9Å
157	V	66.8	Low	67.7	Low	68 Å²	68	123.9 Å²	123.9	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-69.1	-40	177.4	170.6	0	0	0	0	111.1	R153 K154 W160 R161	R153-V157 WeakPolarHBondContact O-CG2 3.24Å; R153-V157 PolarHBondContact O-N 3.03Å; K154-V157 PolarHBondContact O-N 2.71Å; V157-W160 PolarHBondContact O-N 2.69Å; V157-R161 WeakPolarHBondContact O-CB 3.3Å; V157-R161 WeakPolarHBondContact O-CG 3.08Å; V157-R161 PolarHBondContact O-N 2.65Å
158	E	64.4	Low	67.5	Low	129 Å²	129	120.8 Å²	120.8	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-49.7	176.5	-172.7	158.1	-127.3	0	0	111	K154 W160 R161 E162	K154-E158 WeakPolarHBondContact O-CB 3.29Å; K154-E158 PolarHBondContact O-N 2.82Å; E158-W160 VanDerWaalsContact C-N 3.31Å; E158-W160 PolarHBondContact O-N 3.45Å; E158-R161 CarbonylContact O-C 3.48Å; E158-R161 WeakPolarHBondContact O-CA 3.5Å; E158-R161 WeakPolarHBondContact O-CB 3.36Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-E162 PolarHBondContact O-N 3.47Å
159	K	73.5	Confident	67.5	Low	153 Å²	153	122.2 Å²	122.2	67%	0.665	54%	0.537	S	S	*	.	H	α-helix	trans	-63.6	-33.5	176.2	-164.7	168.4	-168.8	167.7	0	113.3	E155 E163	E155-K159 WeakPolarHBondContact O-CB 3.37Å; E155-K159 PolarHBondContact O-N 2.87Å; K159-E163 WeakPolarHBondContact O-CB 3.48Å; K159-E163 PolarHBondContact O-N 2.91Å
160	W	76.4	Confident	67.5	Low	152 Å²	152	121 Å²	121	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-67.9	-41.8	171	-178.3	86	0	0	0	111.6	R156 V157 E158 E163 Q164	R156-W160 VanDerWaalsContact O-CB 3.26Å; R156-W160 WeakPolarHBondContact O-CB 3.33Å; R156-W160 PolarHBondContact O-N 2.9Å; V157-W160 PolarHBondContact O-N 2.69Å; E158-W160 VanDerWaalsContact C-N 3.31Å; E158-W160 PolarHBondContact O-N 3.45Å; W160-E163 PolarHBondContact O-N 3.22Å; W160-Q164 HydrophobicContact CD2-CG 4.03Å; W160-Q164 HydrophobicContact CE3-CG 4.18Å; W160-Q164 HydrophobicContact CH2-CG 4.06Å; W160-Q164 HydrophobicContact CZ2-CG 3.9Å; W160-Q164 HydrophobicContact CZ3-CG 4.19Å; W160-Q164 WeakPolarHBondContact O-CG 3.47Å; W160-Q164 PolarHBondContact O-N 3.12Å
161	R	53.6	Low	67.7	Low	171 Å²	171	120.1 Å²	120.1	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-62.8	-40.4	173.6	-77.9	176.4	170.7	-170.1	-5.3	112.1	V157 E158 Q164 R165	V157-R161 WeakPolarHBondContact O-CB 3.3Å; V157-R161 WeakPolarHBondContact O-CG 3.08Å; V157-R161 PolarHBondContact O-N 2.65Å; E158-R161 CarbonylContact O-C 3.48Å; E158-R161 WeakPolarHBondContact O-CA 3.5Å; E158-R161 WeakPolarHBondContact O-CB 3.36Å; E158-R161 PolarHBondContact O-N 3.36Å; R161-Q164 PolarHBondContact O-N 3.17Å; R161-R165 VanDerWaalsContact O-CB 3.25Å; R161-R165 WeakPolarHBondContact O-CB 3.44Å; R161-R165 PolarHBondContact O-N 3.37Å
162	E	66.6	Low	67.7	Low	129 Å²	129	118.2 Å²	118.2	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-61.5	-43.2	171.5	-71.3	-171.9	137.5	0	0	111.8	E158 R165 K166	E158-E162 PolarHBondContact O-N 3.47Å; E162-R165 PolarHBondContact O-N 3.11Å; E162-K166 WeakPolarHBondContact O-CB 3.39Å; E162-K166 PolarHBondContact O-N 3.49Å
163	E	68.9	Low	67.2	Low	105 Å²	105	116 Å²	116	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-66.2	-39.3	178.8	-163.8	-176.4	-101.7	0	0	112.3	K159 W160 K166 K167	K159-E163 WeakPolarHBondContact O-CB 3.48Å; K159-E163 PolarHBondContact O-N 2.91Å; W160-E163 PolarHBondContact O-N 3.22Å; E163-K166 PolarHBondContact O-N 3.44Å; E163-K167 WeakPolarHBondContact O-CG 3.36Å; E163-K167 PolarHBondContact O-N 3.07Å; E163-K167 IonicContact OE2-NZ 3.68Å; E163-K167 PolarHBondContact OE2-NZ 3.35Å
164	Q	61.7	Low	67.4	Low	78 Å²	78	114 Å²	114	36%	0.364	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-40.7	171.6	-64.1	-58.6	-8.9	0	0	111.9	W160 R161 K166 K167 A168	W160-Q164 HydrophobicContact CD2-CG 4.03Å; W160-Q164 HydrophobicContact CE3-CG 4.18Å; W160-Q164 HydrophobicContact CH2-CG 4.06Å; W160-Q164 HydrophobicContact CZ2-CG 3.9Å; W160-Q164 HydrophobicContact CZ3-CG 4.19Å; W160-Q164 WeakPolarHBondContact O-CG 3.47Å; W160-Q164 PolarHBondContact O-N 3.12Å; R161-Q164 PolarHBondContact O-N 3.17Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.31Å; Q164-K167 PolarHBondContact O-N 3.09Å; Q164-A168 WeakPolarHBondContact O-CB 3.35Å; Q164-A168 PolarHBondContact O-N 3.06Å
165	R	66.7	Low	67.4	Low	191 Å²	191	111.3 Å²	111.3	72%	0.721	52%	0.518	S	S	*	.	H	α-helix	trans	-65.5	-36	177	-157.1	178.3	-155.7	-177.6	6.5	111.5	R161 E162 A168 I169	R161-R165 VanDerWaalsContact O-CB 3.25Å; R161-R165 WeakPolarHBondContact O-CB 3.44Å; R161-R165 PolarHBondContact O-N 3.37Å; E162-R165 PolarHBondContact O-N 3.11Å; R165-A168 PolarHBondContact O-N 3.13Å; R165-I169 HydrophobicContact CG-CD1 4.47Å; R165-I169 WeakPolarHBondContact O-CD1 3.18Å; R165-I169 VanDerWaalsContact O-CG1 3.24Å; R165-I169 WeakPolarHBondContact O-CG1 3.29Å; R165-I169 PolarHBondContact O-N 3.46Å
166	K	72.6	Confident	67.1	Low	123 Å²	123	113.5 Å²	113.5	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-46.8	173.1	-168.4	175.2	-173.7	-90.1	0	111.3	E162 E163 Q164 A168 I169 E170	E162-K166 WeakPolarHBondContact O-CB 3.39Å; E162-K166 PolarHBondContact O-N 3.49Å; E163-K166 PolarHBondContact O-N 3.44Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.31Å; K166-A168 VanDerWaalsContact C-N 3.32Å; K166-A168 PolarHBondContact O-N 3.38Å; K166-I169 CarbonylContact O-C 3.57Å; K166-I169 PolarHBondContact O-N 3.01Å; K166-I169 VanDerWaalsContact O-N 3.11Å; K166-E170 IonicContact NZ-OE1 3.95Å; K166-E170 PolarHBondContact NZ-OE1 3.48Å; K166-E170 WeakPolarHBondContact O-CB 3.4Å; K166-E170 WeakPolarHBondContact O-CG 3.42Å; K166-E170 PolarHBondContact O-N 3.43Å
167	K	71.8	Confident	66.7	Low	95 Å²	95	111.8 Å²	111.8	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-59.6	-39.6	173.6	-74.5	166.6	-177.9	160.7	0	112.5	E163 Q164 E170 N171	E163-K167 WeakPolarHBondContact O-CG 3.36Å; E163-K167 PolarHBondContact O-N 3.07Å; E163-K167 IonicContact OE2-NZ 3.68Å; E163-K167 PolarHBondContact OE2-NZ 3.35Å; Q164-K167 PolarHBondContact O-N 3.09Å; K167-E170 PolarHBondContact O-N 2.63Å; K167-N171 VanDerWaalsContact O-CB 3.24Å; K167-N171 WeakPolarHBondContact O-CB 2.94Å; K167-N171 PolarHBondContact O-N 3.01Å
168	A	64.4	Low	66.4	Low	49 Å²	49	114.6 Å²	114.6	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-38.7	174.2	0	0	0	0	0	112.3	Q164 R165 K166 I172	Q164-A168 WeakPolarHBondContact O-CB 3.35Å; Q164-A168 PolarHBondContact O-N 3.06Å; R165-A168 PolarHBondContact O-N 3.13Å; K166-A168 VanDerWaalsContact C-N 3.32Å; K166-A168 PolarHBondContact O-N 3.38Å; A168-I172 VanDerWaalsContact O-CB 3.29Å; A168-I172 WeakPolarHBondContact O-CB 3.47Å; A168-I172 WeakPolarHBondContact O-CD1 3.5Å; A168-I172 WeakPolarHBondContact O-CG1 3.49Å; A168-I172 PolarHBondContact O-N 3.28Å
169	I	70.9	Confident	65.8	Low	113 Å²	113	112.8 Å²	112.8	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-69.8	-38.5	174.9	-70.5	163.7	0	0	0	111.6	R165 K166 G173	R165-I169 HydrophobicContact CG-CD1 4.47Å; R165-I169 WeakPolarHBondContact O-CD1 3.18Å; R165-I169 VanDerWaalsContact O-CG1 3.24Å; R165-I169 WeakPolarHBondContact O-CG1 3.29Å; R165-I169 PolarHBondContact O-N 3.46Å; K166-I169 CarbonylContact O-C 3.57Å; K166-I169 PolarHBondContact O-N 3.01Å; K166-I169 VanDerWaalsContact O-N 3.11Å; I169-G173 PolarHBondContact O-N 3.3Å
170	E	66.1	Low	64.9	Low	95 Å²	95	111.4 Å²	111.4	44%	0.444	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-47.8	174.7	-74.6	166.4	164.5	0	0	110.7	K166 K167 I172 G173 E174	K166-E170 IonicContact NZ-OE1 3.95Å; K166-E170 PolarHBondContact NZ-OE1 3.48Å; K166-E170 WeakPolarHBondContact O-CB 3.4Å; K166-E170 WeakPolarHBondContact O-CG 3.42Å; K166-E170 PolarHBondContact O-N 3.43Å; K167-E170 PolarHBondContact O-N 2.63Å; E170-I172 PolarHBondContact O-N 3.34Å; E170-G173 CarbonylContact O-C 3.43Å; E170-G173 VanDerWaalsContact O-CA 3.26Å; E170-G173 WeakPolarHBondContact O-CA 3.46Å; E170-G173 PolarHBondContact O-N 3.02Å; E170-E174 PolarHBondContact O-N 2.71Å
171	N	65.6	Low	63.7	Low	90 Å²	90	109.8 Å²	109.8	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-65.4	-38.6	177.4	-164.1	8	0	0	0	112.4	K167 G173 E174 I175	K167-N171 VanDerWaalsContact O-CB 3.24Å; K167-N171 WeakPolarHBondContact O-CB 2.94Å; K167-N171 PolarHBondContact O-N 3.01Å; N171-G173 VanDerWaalsContact C-N 3.26Å; N171-G173 PolarHBondContact O-N 2.93Å; N171-E174 PolarHBondContact O-N 2.98Å; N171-I175 WeakPolarHBondContact O-CB 3.12Å; N171-I175 VanDerWaalsContact O-CG1 3.3Å; N171-I175 WeakPolarHBondContact O-CG1 3.33Å; N171-I175 PolarHBondContact O-N 2.82Å
172	I	68.8	Low	63.5	Low	97 Å²	97	109.8 Å²	109.8	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-30.6	169.4	-72.9	166	0	0	0	111.4	A168 E170 K176	A168-I172 VanDerWaalsContact O-CB 3.29Å; A168-I172 WeakPolarHBondContact O-CB 3.47Å; A168-I172 WeakPolarHBondContact O-CD1 3.5Å; A168-I172 WeakPolarHBondContact O-CG1 3.49Å; A168-I172 PolarHBondContact O-N 3.28Å; E170-I172 PolarHBondContact O-N 3.34Å; I172-K176 HydrophobicContact CG2-CD 4.46Å; I172-K176 VanDerWaalsContact O-CB 3.3Å; I172-K176 WeakPolarHBondContact O-CB 3.4Å; I172-K176 VanDerWaalsContact O-CG 3.29Å; I172-K176 WeakPolarHBondContact O-CG 3.49Å; I172-K176 PolarHBondContact O-N 3.26Å
173	G	66.5	Low	62.6	Low	36 Å²	36	111 Å²	111	37%	0.371	53%	0.533	S	S	.	.	H	α-helix	trans	-68.1	-44.5	172.9	0	0	0	0	0	112.4	I169 E170 N171 K176 K177	I169-G173 PolarHBondContact O-N 3.3Å; E170-G173 CarbonylContact O-C 3.43Å; E170-G173 VanDerWaalsContact O-CA 3.26Å; E170-G173 WeakPolarHBondContact O-CA 3.46Å; E170-G173 PolarHBondContact O-N 3.02Å; N171-G173 VanDerWaalsContact C-N 3.26Å; N171-G173 PolarHBondContact O-N 2.93Å; G173-K176 PolarHBondContact O-N 2.89Å; G173-K177 VanDerWaalsContact O-CB 3.31Å; G173-K177 WeakPolarHBondContact O-CB 3.48Å; G173-K177 PolarHBondContact O-N 2.97Å
174	E	64.4	Low	61	Low	126 Å²	126	113.8 Å²	113.8	59%	0.589	55%	0.546	S	S	*	.	H	α-helix	trans	-63.6	-49.3	175.3	-70.6	176.9	142.2	0	0	111	E170 N171 K176 K177 E178	E170-E174 PolarHBondContact O-N 2.71Å; N171-E174 PolarHBondContact O-N 2.98Å; E174-K176 VanDerWaalsContact C-N 3.29Å; E174-K176 PolarHBondContact O-N 2.85Å; E174-K177 WeakPolarHBondContact O-CA 3.41Å; E174-K177 WeakPolarHBondContact O-CB 3.41Å; E174-K177 PolarHBondContact O-N 3.46Å; E174-E178 PolarHBondContact O-N 2.96Å
175	I	64.7	Low	59.6	Low	95 Å²	95	113.4 Å²	113.4	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-60.1	-37.5	175.3	-67.3	165.5	0	0	0	111.7	N171 L179	N171-I175 WeakPolarHBondContact O-CB 3.12Å; N171-I175 VanDerWaalsContact O-CG1 3.3Å; N171-I175 WeakPolarHBondContact O-CG1 3.33Å; N171-I175 PolarHBondContact O-N 2.82Å; I175-L179 VanDerWaalsContact O-CB 3.3Å; I175-L179 WeakPolarHBondContact O-CB 3.26Å; I175-L179 PolarHBondContact O-N 2.89Å
176	K	63.9	Low	58.1	Low	134 Å²	134	114.1 Å²	114.1	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-67.3	-38.2	172.8	-84.3	-177.8	174.8	-172.3	0	112.6	I172 G173 E174 L179 E180	I172-K176 HydrophobicContact CG2-CD 4.46Å; I172-K176 VanDerWaalsContact O-CB 3.3Å; I172-K176 WeakPolarHBondContact O-CB 3.4Å; I172-K176 VanDerWaalsContact O-CG 3.29Å; I172-K176 WeakPolarHBondContact O-CG 3.49Å; I172-K176 PolarHBondContact O-N 3.26Å; G173-K176 PolarHBondContact O-N 2.89Å; E174-K176 VanDerWaalsContact C-N 3.29Å; E174-K176 PolarHBondContact O-N 2.85Å; K176-L179 CarbonylContact O-C 3.54Å; K176-L179 PolarHBondContact O-N 2.85Å; K176-E180 WeakPolarHBondContact O-CB 3.4Å; K176-E180 WeakPolarHBondContact O-CG 2.96Å; K176-E180 PolarHBondContact O-N 3.36Å
177	K	63.4	Low	56.1	Low	118 Å²	118	116.1 Å²	116.1	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-67	-43.6	178.9	-173.7	174.4	174.7	-65.4	0	110.9	G173 E174 L179 E180 E181	G173-K177 VanDerWaalsContact O-CB 3.31Å; G173-K177 WeakPolarHBondContact O-CB 3.48Å; G173-K177 PolarHBondContact O-N 2.97Å; E174-K177 WeakPolarHBondContact O-CA 3.41Å; E174-K177 WeakPolarHBondContact O-CB 3.41Å; E174-K177 PolarHBondContact O-N 3.46Å; K177-L179 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 2.86Å; K177-E180 PolarHBondContact O-N 2.7Å; K177-E181 WeakPolarHBondContact CE-OE1 3.47Å; K177-E181 IonicContact NZ-OE1 2.69Å; K177-E181 PolarHBondContact NZ-OE1 2.85Å; K177-E181 IonicContact NZ-OE2 3.46Å; K177-E181 WeakPolarHBondContact O-CB 3.26Å; K177-E181 WeakPolarHBondContact O-CG 3.4Å; K177-E181 PolarHBondContact O-N 3.33Å
178	E	59.6	Low	54.1	Low	127 Å²	127	121.5 Å²	121.5	59%	0.593	60%	0.598	S	S	*	*	H	α-helix	trans	-58.6	-41.6	169.5	-68.2	-177.7	147.3	0	0	111.6	E174 E180 E181 M182	E174-E178 PolarHBondContact O-N 2.96Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E178-E180 PolarHBondContact O-N 2.77Å; E178-E181 PolarHBondContact O-N 3.03Å; E178-M182 WeakPolarHBondContact O-CB 3.41Å; E178-M182 WeakPolarHBondContact O-CG 3.49Å; E178-M182 PolarHBondContact O-N 2.88Å
179	L	52.5	Low	52.4	Low	92 Å²	92	123.8 Å²	123.8	48%	0.482	61%	0.611	S	S	.	*	H	α-helix	trans	-72.6	-22.6	179.1	-159	73.4	0	0	0	114	I175 K176 K177 K183	I175-L179 VanDerWaalsContact O-CB 3.3Å; I175-L179 WeakPolarHBondContact O-CB 3.26Å; I175-L179 PolarHBondContact O-N 2.89Å; K176-L179 CarbonylContact O-C 3.54Å; K176-L179 PolarHBondContact O-N 2.85Å; K177-L179 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 2.86Å; L179-K183 VanDerWaalsContact O-CD 3.29Å; L179-K183 WeakPolarHBondContact O-CD 3.47Å; L179-K183 VanDerWaalsContact O-CG 3.25Å; L179-K183 WeakPolarHBondContact O-CG 3.4Å
180	E	52.9	Low	50.5	Low	124 Å²	124	125.5 Å²	125.5	58%	0.579	62%	0.621	S	S	*	*	H	α-helix	trans	-87	-36.2	172.8	-76	-174.7	164.5	0	0	111.8	K176 K177 E178 M182 K183 Q184	K176-E180 WeakPolarHBondContact O-CB 3.4Å; K176-E180 WeakPolarHBondContact O-CG 2.96Å; K176-E180 PolarHBondContact O-N 3.36Å; K177-E180 PolarHBondContact O-N 2.7Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E178-E180 PolarHBondContact O-N 2.77Å; E180-M182 VanDerWaalsContact C-N 3.33Å; E180-K183 CarbonylContact O-C 3.55Å; E180-K183 WeakPolarHBondContact O-CA 3.44Å; E180-K183 PolarHBondContact O-N 2.91Å; E180-Q184 PolarHBondContact O-N 2.84Å
181	E	51.2	Low	48.7	Very low	118 Å²	118	128.2 Å²	128.2	55%	0.551	63%	0.633	S	S	*	*	H	α-helix	trans	-63.4	-38.7	170.5	-74.7	170.5	-178.3	0	0	110.9	K177 E178 K183	K177-E181 WeakPolarHBondContact CE-OE1 3.47Å; K177-E181 IonicContact NZ-OE1 2.69Å; K177-E181 PolarHBondContact NZ-OE1 2.85Å; K177-E181 IonicContact NZ-OE2 3.46Å; K177-E181 WeakPolarHBondContact O-CB 3.26Å; K177-E181 WeakPolarHBondContact O-CG 3.4Å; K177-E181 PolarHBondContact O-N 3.33Å; E178-E181 PolarHBondContact O-N 3.03Å; E181-K183 PolarHBondContact O-N 3.43Å; E181-K183 VanDerWaalsContact O-N 3.17Å
182	M	51.3	Low	47	Very low	171 Å²	171	130.4 Å²	130.4	84%	0.842	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-4.2	168.2	-77.6	-165.3	172.1	0	0	115	E178 E180	E178-M182 WeakPolarHBondContact O-CB 3.41Å; E178-M182 WeakPolarHBondContact O-CG 3.49Å; E178-M182 PolarHBondContact O-N 2.88Å; E180-M182 VanDerWaalsContact C-N 3.33Å
183	K	47.6	Very low	45.2	Very low	153 Å²	153	132 Å²	132	67%	0.665	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	-1.7	-177.6	-77.5	178	-175.5	171.1	0	115	L179 E180 E181	L179-K183 VanDerWaalsContact O-CD 3.29Å; L179-K183 WeakPolarHBondContact O-CD 3.47Å; L179-K183 VanDerWaalsContact O-CG 3.25Å; L179-K183 WeakPolarHBondContact O-CG 3.4Å; E180-K183 CarbonylContact O-C 3.55Å; E180-K183 WeakPolarHBondContact O-CA 3.44Å; E180-K183 PolarHBondContact O-N 2.91Å; E181-K183 PolarHBondContact O-N 3.43Å; E181-K183 VanDerWaalsContact O-N 3.17Å
184	Q	35.1	Very low	43.4	Very low	165 Å²	165	136.9 Å²	136.9	77%	0.771	67%	0.672	S	S	*	*	S	Bend	trans	-117.5	98.9	178.7	-63.6	-168.1	31.9	0	0	111.9	E180	E180-Q184 PolarHBondContact O-N 2.84Å
185	G	32.6	Very low	41.8	Very low	70 Å²	70	137.3 Å²	137.3	72%	0.722	68%	0.678	S	S	*	*			trans	131	60.5	177.6	0	0	0	0	0	113.4
186	K	34.6	Very low	40.1	Very low	205 Å²	205	139.2 Å²	139.2	89%	0.891	69%	0.689	S	S	*	*				64.3	100.1	84.8	-73.5	-169	174.9	-178.7	0	116.4
187	K	30.8	Very low	38.6	Very low	165 Å²	165	139.4 Å²	139.4	72%	0.717	70%	0.697	S	S	*	*			trans	-19.7	137.1	130.5	-161.9	178.7	176.3	178.2	0	112.4
188	W	28.8	Very low	37	Very low	208 Å²	208	142.5 Å²	142.5	79%	0.788	71%	0.713	S	S	*	*				-175.8	155.7	83.7	-94.8	84.9	0	0	0	112.2
189	S	29.6	Very low	35.5	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	73%	0.728	S	S	*	*			trans	33.3	125.8	149.8	59.9	0	0	0	0	124
190	L	30.3	Very low	34.1	Very low	150 Å²	150	144.5 Å²	144.5	79%	0.785	74%	0.738	S	S	*	*				53.8	147	125.2	-127.8	76.2	0	0	0	122.7
191	E	28.4	Very low	33.1	Very low	152 Å²	152	144.7 Å²	144.7	71%	0.71	75%	0.751	S	S	*	*			trans	75.4	110.2	162.6	-72.2	160.1	-169.7	0	0	118.7
192	D	30.2	Very low	31.9	Very low	135 Å²	135	143.3 Å²	143.3	72%	0.722	76%	0.759	S	S	*	*			trans	62	142	131.3	-43.5	-7.2	0	0	0	120.3
193	D	30.4	Very low	30.7	Very low	131 Å²	131	142 Å²	142	70%	0.701	76%	0.755	S	S	*	*			cis	-164.8	174	-10.1	-112	-16.6	0	0	0	110.1
194	D	28.3	Very low	29.6	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	76%	0.761	S	S	*	*			trans	60.9	140.2	155.3	-63.6	-4.3	0	0	0	121.2
195	D	30.7	Very low	29.1	Very low	134 Å²	134	141.6 Å²	141.6	72%	0.717	76%	0.757	S	S	*	*			cis	-164.8	179.6	-18.6	-144.9	-14.5	0	0	0	110.6
196	D	30.1	Very low	28.8	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	76%	0.76	S	S	*	*			trans	67	141.2	165.9	-62.9	-29	0	0	0	118.3
197	D	31.4	Very low	28.3	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	76%	0.756	S	S	*	*			cis	-158.7	164.3	5.2	-145.2	-22.5	0	0	0	112.7
198	E	30.1	Very low	28	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	76%	0.76	S	S	*	*			trans	48.9	150.7	166.4	-66.1	-166.5	144.1	0	0	122.8
199	E	28.2	Very low	27.8	Very low	193 Å²	193	138.6 Å²	138.6	90%	0.902	76%	0.757	S	S	*	*				-154.7	152	-68.1	-145.1	-164.6	-162.2	0	0	109.3
200	G	24.2	Very low	27.7	Very low	68 Å²	68	143.2 Å²	143.2	70%	0.701	77%	0.767	S	S	*	*			trans	160.9	113.7	172.7	0	0	0	0	0	114.3
201	P	31.6	Very low	27.4	Very low	129 Å²	129	144.6 Å²	144.6	84%	0.838	77%	0.77	S	S	*	*			trans	-105	168.5	-139.4	-1.1	23.7	0	0	0	116.9
202	A	24.6	Very low	27.1	Very low	89 Å²	89	146.5 Å²	146.5	74%	0.736	78%	0.779	S	S	*	*			trans	-106.8	-177.7	177.5	0	0	0	0	0	112.9
203	L	27.1	Very low	26.8	Very low	142 Å²	142	143.8 Å²	143.8	74%	0.743	78%	0.783	S	S	*	*			trans	-161.5	133	155.9	-98.4	169	0	0	0	105.3	E205	L203-E205 WeakPolarHBondContact CD2-OE1 3.31Å
204	M	24.6	Very low	26.5	Very low	161 Å²	161	147.3 Å²	147.3	79%	0.793	80%	0.795	S	S	*	*			cis	63.9	155.9	27	-60.1	173.8	135.7	0	0	113.7
205	E	24.7	Very low	26.2	Very low	149 Å²	149	144 Å²	144	70%	0.696	79%	0.793	S	S	*	*			cis	-89.1	-137.4	-10.5	-50.9	73.4	-155.7	0	0	110.4	L203	L203-E205 WeakPolarHBondContact CD2-OE1 3.31Å
206	V	27	Very low	25.9	Very low	130 Å²	130	145.9 Å²	145.9	79%	0.788	80%	0.795	S	S	*	*			cis	-151.6	166.9	1.1	-136.5	0	0	0	0	109.4
207	D	23.4	Very low	25.6	Very low	150 Å²	150	146 Å²	146	80%	0.802	79%	0.791	S	S	*	*			trans	-113.7	-161.4	-176.4	-62.1	-92.9	0	0	0	113.8
208	E	25.1	Very low	25.3	Very low	171 Å²	171	148.1 Å²	148.1	80%	0.799	80%	0.797	S	S	*	*			trans	84.2	113.1	153	-70.3	172.3	174.3	0	0	121.9
209	D	24.5	Very low	24.9	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	79%	0.785	S	S	*	*				98.9	127.3	119	-67.7	-1	0	0	0	126.9
210	E	26.4	Very low	24.7	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	78%	0.778	S	S	*	*			trans	68.9	-176.1	140.3	-66.9	-162.7	155.4	0	0	122.5
211	E	24.3	Very low	24.6	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	77%	0.769	S	S	*	*			trans	-138.3	173	-133	-161.6	172.2	-149.1	0	0	113.3
212	E	22.9	Very low	24.2	Very low	192 Å²	192	144.5 Å²	144.5	90%	0.897	76%	0.761	S	S	*	*			trans	65.6	163.4	173.7	-56.4	-159.4	142.1	0	0	118.4
213	G	23	Very low	24	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	76%	0.761	S	S	*	*			trans	139.7	93.7	173.4	0	0	0	0	0	115.9
214	E	23.4	Very low	23.8	Very low	206 Å²	206	143.9 Å²	143.9	96%	0.963	76%	0.758	S	S	*	*			trans	-72.7	164.4	-174.5	-50.7	179.8	111.4	0	0	116.7
215	G	23.5	Very low	23.8	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	76%	0.759	S	S	*	*			trans	138.3	119.7	151.5	0	0	0	0	0	114.6
216	K	23.5	Very low	23.8	Very low	175 Å²	175	143.8 Å²	143.8	76%	0.761	76%	0.755	S	S	*	*				59.9	136.9	61.7	-75.5	-176.3	164.1	-75.3	0	113.5
217	E	24.5	Very low	23.6	Very low	136 Å²	136	143.1 Å²	143.1	64%	0.636	75%	0.751	S	S	*	*			cis	-171.9	158	-8.4	-129	160.5	-166.8	0	0	108.8
218	E	23.8	Very low	23.7	Very low	184 Å²	184	142.9 Å²	142.9	86%	0.86	74%	0.743	S	S	*	*			trans	57.2	170.7	164.2	-55.8	-168.6	153.9	0	0	116.8
219	G	23.3	Very low	23.7	Very low	59 Å²	59	141.9 Å²	141.9	61%	0.608	74%	0.736	S	S	*	*			cis	-131.5	178.9	-8.5	0	0	0	0	0	110.8
220	K	22.9	Very low	23.7	Very low	174 Å²	174	144.1 Å²	144.1	76%	0.757	74%	0.742	S	S	*	*				53.4	135.5	72.4	-67.3	-171.8	160.4	-135	0	113.3
221	E	22.2	Very low	23.6	Very low	108 Å²	108	141.9 Å²	141.9	51%	0.505	73%	0.732	S	S	.	*			cis	-165.7	157.2	5.8	-122.6	171.4	-146.9	0	0	109.1
222	K	22.8	Very low	23.6	Very low	155 Å²	155	137.1 Å²	137.1	67%	0.674	73%	0.731	S	S	*	*			trans	64.6	167.3	146.5	-71.9	168.3	-176.6	157.8	0	118.1
223	D	21.4	Very low	23.8	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	73%	0.731	S	S	*	*			cis	-144.6	-176.6	-14.3	-120.1	-32.8	0	0	0	111.2
224	A	23.8	Very low	23.9	Very low	82 Å²	82	137.5 Å²	137.5	68%	0.678	73%	0.727	S	S	*	*			trans	-33.1	171.4	155.7	0	0	0	0	0	117
225	E	23.2	Very low	24	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	73%	0.726	S	S	*	*			cis	-134.6	158.4	24.8	-82.7	-178	116.8	0	0	112.2
226	E	24.2	Very low	24.1	Very low	132 Å²	132	143.8 Å²	143.8	62%	0.617	73%	0.734	S	S	*	*				46.6	136.8	93.7	-108.9	-148.4	-134.6	0	0	114.5	K228	E226-K228 IonicContact OE1-NZ 3.77Å; E226-K228 PolarHBondContact OE1-NZ 3.49Å; E226-K228 IonicContact OE2-NZ 2.79Å; E226-K228 PolarHBondContact OE2-NZ 2.89Å
227	V	24.6	Very low	24.1	Very low	117 Å²	117	145 Å²	145	71%	0.709	74%	0.743	S	S	*	*				-156.9	130.8	57.3	169.9	0	0	0	0	112.8
228	K	25.7	Very low	24.1	Very low	144 Å²	144	142.9 Å²	142.9	63%	0.626	75%	0.748	S	S	*	*			trans	30.6	132.5	141	-50.9	176.7	177.1	78.8	0	123.8	E226	E226-K228 IonicContact OE1-NZ 3.77Å; E226-K228 PolarHBondContact OE1-NZ 3.49Å; E226-K228 IonicContact OE2-NZ 2.79Å; E226-K228 PolarHBondContact OE2-NZ 2.89Å
229	K	24.6	Very low	25.1	Very low	150 Å²	150	140 Å²	140	65%	0.652	75%	0.745	S	S	*	*				64.5	164.4	124.5	-66.9	-164.1	171.2	-153.3	0	120	E231	K229-E231 WeakPolarHBondContact CE-OE1 3.39Å; K229-E231 WeakPolarHBondContact CE-OE2 3.36Å; K229-E231 IonicContact NZ-OE1 2.9Å; K229-E231 PolarHBondContact NZ-OE1 3.3Å; K229-E231 IonicContact NZ-OE2 2.75Å; K229-E231 PolarHBondContact NZ-OE2 3.23Å
230	E	24.6	Very low	25.2	Very low	182 Å²	182	146 Å²	146	85%	0.85	76%	0.76	S	S	*	*			cis	-121.3	149.2	10.6	-63.3	164.5	149.9	0	0	110.3
231	E	24.5	Very low	25.4	Very low	146 Å²	146	145.4 Å²	145.4	68%	0.682	76%	0.76	S	S	*	*				75.3	131.7	50.2	-86.9	170.8	-158.2	0	0	115.6	K229	K229-E231 WeakPolarHBondContact CE-OE1 3.39Å; K229-E231 WeakPolarHBondContact CE-OE2 3.36Å; K229-E231 IonicContact NZ-OE1 2.9Å; K229-E231 PolarHBondContact NZ-OE1 3.3Å; K229-E231 IonicContact NZ-OE2 2.75Å; K229-E231 PolarHBondContact NZ-OE2 3.23Å
232	G	23.8	Very low	25.5	Very low	80 Å²	80	147.8 Å²	147.8	83%	0.825	77%	0.771	S	S	*	*			trans	168.8	64.4	-166.6	0	0	0	0	0	113.9
233	E	26.5	Very low	25.6	Very low	193 Å²	193	148.4 Å²	148.4	90%	0.902	78%	0.776	S	S	*	*			trans	-74.6	171.3	172.1	-70.6	-174.1	139.7	0	0	112.1
234	A	26	Very low	25.9	Very low	85 Å²	85	148.2 Å²	148.2	70%	0.702	78%	0.78	S	S	*	*			cis	-174.6	175.4	-28	0	0	0	0	0	107.2
235	E	25.2	Very low	26	Very low	202 Å²	202	153.6 Å²	153.6	94%	0.944	79%	0.791	S	S	*	*			trans	-172	169.1	140.9	-110.1	167.8	-163.3	0	0	112.6
236	K	26	Very low	26.3	Very low	203 Å²	203	154.3 Å²	154.3	88%	0.883	79%	0.794	S	S	*	*			trans	-141.1	152.4	-173.6	-60.7	174.8	-180	174.2	0	111
237	E	23.5	Very low	26.8	Very low	202 Å²	202	156 Å²	156	94%	0.944	81%	0.807	S	S	*	*			trans	-162.8	149.9	152	-126.2	176.8	-143.4	0	0	113.8
238	A	24.7	Very low	27.3	Very low	90 Å²	90	159.9 Å²	159.9	74%	0.744	82%	0.818	S	S	*	*			trans	178.6	167.9	177	0	0	0	0	0	109.9
239	P	44.5	Very low	27.9	Very low	123 Å²	123	158.8 Å²	158.8	80%	0.799	82%	0.823	S	S	*	*			cis	-131.1	-170.4	-31.2	38.5	-21	0	0	0	112.8
240	M	24.3	Very low	29.2	Very low	186 Å²	186	156.3 Å²	156.3	92%	0.916	82%	0.817	S	S	*	*			trans	-153.6	171.2	156	-126.7	-177	79.1	0	0	112.3
241	E	27.2	Very low	30.5	Very low	162 Å²	162	152.9 Å²	152.9	76%	0.757	81%	0.811	S	S	*	*			trans	-115.2	-177.9	-145.8	-53.1	-178.6	132	0	0	118.3
242	Q	25.2	Very low	31.4	Very low	158 Å²	158	151.6 Å²	151.6	74%	0.738	81%	0.807	S	S	*	*			trans	86.1	136.8	162.5	-59.6	-172.2	22.2	0	0	117.1
243	Q	24.6	Very low	32.7	Very low	168 Å²	168	152.7 Å²	152.7	79%	0.785	79%	0.794	S	S	*	*			cis	-147.6	157.5	4	-118.6	163.1	50.4	0	0	109.4
244	V	26.8	Very low	34	Very low	133 Å²	133	146.4 Å²	146.4	81%	0.806	78%	0.775	S	S	*	*			trans	-138.4	136.2	175.7	178.4	0	0	0	0	109.4
245	E	27.4	Very low	35.3	Very low	194 Å²	194	149.3 Å²	149.3	91%	0.907	77%	0.769	S	S	*	*			trans	-96.2	140	165.6	-69.1	180	130.8	0	0	109.3
246	E	28.3	Very low	36.6	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	75%	0.747	S	S	*	*			trans	-93.1	133.4	177.9	-62.1	178.4	128.1	0	0	110.5
247	D	34.3	Very low	37.7	Very low	166 Å²	166	140.3 Å²	140.3	89%	0.888	73%	0.732	S	S	*	*			trans	-111	136.5	164.8	-104	-31.1	0	0	0	107.7
248	E	36.1	Very low	38.8	Very low	200 Å²	200	136.8 Å²	136.8	94%	0.935	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.1	-168.9	-61.4	175.7	122.1	0	0	113.9
249	V	37.7	Very low	40.1	Very low	121 Å²	121	135.2 Å²	135.2	73%	0.733	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-89.1	131.8	173.6	178.6	0	0	0	0	110.2
250	D	52.8	Low	40	Very low	97 Å²	97	134.8 Å²	134.8	52%	0.519	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-63.7	124.6	177.9	-169.3	-37.1	0	0	0	111	L252 D253	D250-L252 PolarHBondContact O-N 3.42Å; D250-L252 VanDerWaalsContact OD1-CB 3.26Å; D250-L252 WeakPolarHBondContact OD1-CB 3.49Å; D250-L252 PolarHBondContact OD1-N 3.19Å; D250-D253 PolarHBondContact O-N 3.21Å
251	P	50.5	Low	40.9	Very low	111 Å²	111	131.6 Å²	131.6	72%	0.721	67%	0.665	S	S	*	*	H	α-helix	trans	-53.7	-24.2	177.1	-28.2	35.9	0	0	0	114.8	Y255	P251-Y255 PolarHBondContact O-N 2.98Å
252	L	44.6	Very low	41.5	Very low	118 Å²	118	129.6 Å²	129.6	62%	0.618	66%	0.655	S	S	*	*	H	α-helix	trans	-70.7	-31.8	179.4	-156.1	74.4	0	0	0	112.8	D250 M256	D250-L252 PolarHBondContact O-N 3.42Å; D250-L252 VanDerWaalsContact OD1-CB 3.26Å; D250-L252 WeakPolarHBondContact OD1-CB 3.49Å; D250-L252 PolarHBondContact OD1-N 3.19Å; L252-M256 WeakPolarHBondContact O-CB 3.33Å; L252-M256 WeakPolarHBondContact O-CG 3.35Å; L252-M256 PolarHBondContact O-N 3.39Å; L252-M256 VanDerWaalsContact O-N 3.09Å
253	D	50.3	Low	42.5	Very low	103 Å²	103	127 Å²	127	55%	0.551	65%	0.65	S	S	*	*	H	α-helix	trans	-74.1	-34.5	-179.9	-90.7	-27.9	0	0	0	111.9	D250 M256 E257	D250-D253 PolarHBondContact O-N 3.21Å; D253-M256 CarbonylContact O-C 3.6Å; D253-M256 PolarHBondContact O-N 3.4Å; D253-E257 PolarHBondContact O-N 3.02Å
254	A	54.4	Low	43.2	Very low	61 Å²	61	126.6 Å²	126.6	50%	0.504	65%	0.646	S	S	.	*	H	α-helix	trans	-62.8	-47	173.9	0	0	0	0	0	111.8	M256 E257 E258	A254-M256 VanDerWaalsContact C-N 3.28Å; A254-M256 PolarHBondContact O-N 3.01Å; A254-E257 PolarHBondContact O-N 3.13Å; A254-E258 PolarHBondContact O-N 3.27Å
255	Y	52.4	Low	43.8	Very low	146 Å²	146	127.8 Å²	127.8	57%	0.573	64%	0.64	S	S	*	*	H	α-helix	trans	-59.8	-38.8	173.8	-177.1	-105.4	0	0	0	112	P251 E257 E258 V259	P251-Y255 PolarHBondContact O-N 2.98Å; Y255-E257 VanDerWaalsContact C-N 3.26Å; Y255-E257 PolarHBondContact O-N 3.16Å; Y255-E258 PolarHBondContact O-N 3.23Å; Y255-V259 HydrophobicContact CE1-CG2 4.25Å; Y255-V259 WeakPolarHBondContact O-CG2 3.47Å; Y255-V259 PolarHBondContact O-N 3.14Å; Y255-V259 VanDerWaalsContact O-N 3.09Å
256	M	53.2	Low	44.2	Very low	97 Å²	97	128 Å²	128	48%	0.478	64%	0.638	S	S	.	*	H	α-helix	trans	-72.4	-10.9	175.1	-73.5	-78.2	-76.7	0	0	114.3	L252 D253 A254 K260	L252-M256 WeakPolarHBondContact O-CB 3.33Å; L252-M256 WeakPolarHBondContact O-CG 3.35Å; L252-M256 PolarHBondContact O-N 3.39Å; L252-M256 VanDerWaalsContact O-N 3.09Å; D253-M256 CarbonylContact O-C 3.6Å; D253-M256 PolarHBondContact O-N 3.4Å; A254-M256 VanDerWaalsContact C-N 3.28Å; A254-M256 PolarHBondContact O-N 3.01Å; M256-K260 VanDerWaalsContact O-CD 3.23Å; M256-K260 WeakPolarHBondContact O-CD 3.4Å; M256-K260 WeakPolarHBondContact O-CE 3.31Å; M256-K260 VanDerWaalsContact O-CG 3.24Å; M256-K260 WeakPolarHBondContact O-CG 3.25Å; M256-K260 PolarHBondContact O-NZ 3.02Å
257	E	48.7	Very low	44.6	Very low	120 Å²	120	125.8 Å²	125.8	56%	0.561	63%	0.632	S	S	*	*	H	α-helix	trans	-90.6	-38.6	166.5	-70.3	-131.9	114.5	0	0	112.1	D253 A254 Y255 V259 K260 Q261	D253-E257 PolarHBondContact O-N 3.02Å; A254-E257 PolarHBondContact O-N 3.13Å; Y255-E257 VanDerWaalsContact C-N 3.26Å; Y255-E257 PolarHBondContact O-N 3.16Å; E257-V259 PolarHBondContact O-N 3.44Å; E257-K260 WeakPolarHBondContact O-CB 3.27Å; E257-K260 PolarHBondContact O-N 3.32Å; E257-K260 VanDerWaalsContact O-N 3.09Å; E257-Q261 PolarHBondContact O-N 3.01Å
258	E	46.6	Very low	44.4	Very low	128 Å²	128	125.3 Å²	125.3	60%	0.598	63%	0.628	S	S	*	*	H	α-helix	trans	-58.7	-48.5	175.7	-172.3	163.6	-143.1	0	0	111.4	A254 Y255 K260 Q261 E262	A254-E258 PolarHBondContact O-N 3.27Å; Y255-E258 PolarHBondContact O-N 3.23Å; E258-K260 VanDerWaalsContact C-N 3.26Å; E258-K260 PolarHBondContact O-N 3.31Å; E258-Q261 WeakPolarHBondContact O-CA 3.31Å; E258-Q261 WeakPolarHBondContact O-CB 3.29Å; E258-Q261 PolarHBondContact O-N 3.5Å; E258-E262 PolarHBondContact O-N 3.36Å
259	V	51.8	Low	44	Very low	57 Å²	57	119.2 Å²	119.2	35%	0.345	62%	0.619	S	S	.	*	H	α-helix	trans	-58.7	-35	174	173.7	0	0	0	0	112.2	Y255 E257 Q261 E262 V263	Y255-V259 HydrophobicContact CE1-CG2 4.25Å; Y255-V259 WeakPolarHBondContact O-CG2 3.47Å; Y255-V259 PolarHBondContact O-N 3.14Å; Y255-V259 VanDerWaalsContact O-N 3.09Å; E257-V259 PolarHBondContact O-N 3.44Å; V259-Q261 VanDerWaalsContact C-N 3.31Å; V259-Q261 PolarHBondContact O-N 3.17Å; V259-E262 PolarHBondContact O-N 3.1Å; V259-V263 WeakPolarHBondContact O-CG2 3.48Å; V259-V263 PolarHBondContact O-N 3.03Å; V259-V263 VanDerWaalsContact O-N 3.08Å
260	K	43.6	Very low	43.6	Very low	113 Å²	113	118.2 Å²	118.2	49%	0.491	62%	0.623	S	S	.	*	H	α-helix	trans	-70.6	-25.3	174.4	-71.1	170.3	-163.3	132.9	0	112.8	M256 E257 E258 K264	M256-K260 VanDerWaalsContact O-CD 3.23Å; M256-K260 WeakPolarHBondContact O-CD 3.4Å; M256-K260 WeakPolarHBondContact O-CE 3.31Å; M256-K260 VanDerWaalsContact O-CG 3.24Å; M256-K260 WeakPolarHBondContact O-CG 3.25Å; M256-K260 PolarHBondContact O-NZ 3.02Å; E257-K260 WeakPolarHBondContact O-CB 3.27Å; E257-K260 PolarHBondContact O-N 3.32Å; E257-K260 VanDerWaalsContact O-N 3.09Å; E258-K260 VanDerWaalsContact C-N 3.26Å; E258-K260 PolarHBondContact O-N 3.31Å; K260-K264 WeakPolarHBondContact O-CG 3.23Å; K260-K264 PolarHBondContact O-N 3.43Å
261	Q	42.1	Very low	42.4	Very low	120 Å²	120	123 Å²	123	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-78.9	-35.6	174	-65.5	-168.1	36.3	0	0	111.8	E257 E258 V259 K264 K265	E257-Q261 PolarHBondContact O-N 3.01Å; E258-Q261 WeakPolarHBondContact O-CA 3.31Å; E258-Q261 WeakPolarHBondContact O-CB 3.29Å; E258-Q261 PolarHBondContact O-N 3.5Å; V259-Q261 VanDerWaalsContact C-N 3.31Å; V259-Q261 PolarHBondContact O-N 3.17Å; Q261-K264 WeakPolarHBondContact O-CB 3.38Å; Q261-K264 PolarHBondContact O-N 3.39Å; Q261-K265 PolarHBondContact O-N 3.11Å
262	E	40.9	Very low	41.3	Very low	119 Å²	119	128.2 Å²	128.2	56%	0.556	66%	0.657	S	S	*	*	H	α-helix	trans	-66.2	-45.8	173.6	-63.7	-152.3	117.9	0	0	112.4	E258 V259 K264 K265 F266	E258-E262 PolarHBondContact O-N 3.36Å; V259-E262 PolarHBondContact O-N 3.1Å; E262-K264 PolarHBondContact O-N 3.36Å; E262-K264 VanDerWaalsContact O-N 3.17Å; E262-K265 WeakPolarHBondContact O-CB 3.45Å; E262-K265 PolarHBondContact O-N 3.19Å; E262-F266 PolarHBondContact O-N 3.22Å
263	V	44.7	Very low	40.5	Very low	103 Å²	103	126.4 Å²	126.4	62%	0.624	67%	0.666	S	S	*	*	H	α-helix	trans	-61.2	-26	175.7	173.9	0	0	0	0	112.2	V259	V259-V263 WeakPolarHBondContact O-CG2 3.48Å; V259-V263 PolarHBondContact O-N 3.03Å; V259-V263 VanDerWaalsContact O-N 3.08Å
264	K	39.8	Very low	39.3	Very low	160 Å²	160	128.7 Å²	128.7	70%	0.696	68%	0.678	S	S	*	*	H	α-helix	trans	-73.2	-29.1	171	-83.9	178.1	176.1	175.8	0	113.9	K260 Q261 E262	K260-K264 WeakPolarHBondContact O-CG 3.23Å; K260-K264 PolarHBondContact O-N 3.43Å; Q261-K264 WeakPolarHBondContact O-CB 3.38Å; Q261-K264 PolarHBondContact O-N 3.39Å; E262-K264 PolarHBondContact O-N 3.36Å; E262-K264 VanDerWaalsContact O-N 3.17Å
265	K	39.8	Very low	38.1	Very low	159 Å²	159	132.7 Å²	132.7	69%	0.691	69%	0.691	S	S	*	*	H	α-helix	trans	-72.5	-28.7	-179.6	-71.5	172	-176.4	167.7	0	112.7	Q261 E262 N267	Q261-K265 PolarHBondContact O-N 3.11Å; E262-K265 WeakPolarHBondContact O-CB 3.45Å; E262-K265 PolarHBondContact O-N 3.19Å; K265-N267 VanDerWaalsContact C-N 3.32Å; K265-N267 PolarHBondContact O-N 2.97Å
266	F	35.9	Very low	36.9	Very low	198 Å²	198	135.1 Å²	135.1	87%	0.868	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-5.9	-179.4	-96.2	-83	0	0	0	115.6	E262	E262-F266 PolarHBondContact O-N 3.22Å
267	N	36.8	Very low	35.6	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	29.6	-169.5	-146.9	8.4	0	0	0	114.2	K265	K265-N267 VanDerWaalsContact C-N 3.32Å; K265-N267 PolarHBondContact O-N 2.97Å
268	I	29.5	Very low	34.4	Very low	157 Å²	157	137.9 Å²	137.9	81%	0.805	73%	0.732	S	S	*	*			trans	-130.1	92.2	171.1	-56.8	-177.8	0	0	0	109.5
269	G	27.5	Very low	33.3	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	74%	0.742	S	S	*	*			trans	-134.7	121.9	169.3	0	0	0	0	0	109.8
270	A	29.9	Very low	32.1	Very low	99 Å²	99	139.7 Å²	139.7	82%	0.818	76%	0.762	S	S	*	*			trans	54.4	104	177	0	0	0	0	0	117.7
271	M	26.9	Very low	31.2	Very low	199 Å²	199	140.3 Å²	140.3	98%	0.98	78%	0.775	S	S	*	*				-169	141.3	111.7	-99.3	175.9	92.4	0	0	110.5
272	K	28.2	Very low	30.4	Very low	220 Å²	220	140.9 Å²	140.9	96%	0.957	79%	0.787	S	S	*	*			trans	-143.2	108.8	178.7	-169.6	-179.4	-176	-177.8	0	108.8
273	G	27.1	Very low	29.5	Very low	79 Å²	79	141.2 Å²	141.2	81%	0.814	80%	0.797	S	S	*	*			trans	-169.3	138.2	-179.3	0	0	0	0	0	109.1
274	N	26.1	Very low	28.5	Very low	151 Å²	151	145 Å²	145	81%	0.807	81%	0.805	S	S	*	*			trans	-122.4	142.2	-158.7	-171.6	98.7	0	0	0	113.3
275	D	28	Very low	27.8	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	81%	0.811	S	S	*	*			trans	-57.4	151.8	175.8	-73.1	-77.6	0	0	0	116.1
276	K	27.6	Very low	27	Very low	198 Å²	198	142.5 Å²	142.5	86%	0.861	82%	0.816	S	S	*	*			trans	174.1	153.2	144.1	-97.6	159	-179.1	-179.5	0	109.7
277	K	25.6	Very low	26.3	Very low	205 Å²	205	138.8 Å²	138.8	89%	0.891	81%	0.81	S	S	*	*			cis	-173.2	154.9	-37.7	-127	-176.4	-179.6	-177.3	0	108.5
278	G	24.1	Very low	25.7	Very low	69 Å²	69	138.5 Å²	138.5	71%	0.711	81%	0.813	S	S	*	*			trans	101	144.1	174.3	0	0	0	0	0	113.5
279	A	24.3	Very low	25.5	Very low	98 Å²	98	136.9 Å²	136.9	81%	0.81	81%	0.81	S	S	*	*			cis	61	131.5	13.8	0	0	0	0	0	114.4
280	T	25.2	Very low	25.4	Very low	125 Å²	125	142 Å²	142	77%	0.767	81%	0.812	S	S	*	*			cis	-145.5	-179.4	12.1	-34	0	0	0	0	109.7
281	T	24.3	Very low	25.1	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	81%	0.807	S	S	*	*				172	161.8	95.3	-63.3	0	0	0	0	110.5
282	V	25.9	Very low	25	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	80%	0.796	S	S	*	*			trans	-133.7	125.4	-175.6	174.8	0	0	0	0	113.3
283	T	23.3	Very low	24.8	Very low	126 Å²	126	140.1 Å²	140.1	77%	0.773	79%	0.79	S	S	*	*			trans	-173.3	155.4	164	31	0	0	0	0	111.5
284	K	23.7	Very low	24.9	Very low	182 Å²	182	144.7 Å²	144.7	79%	0.791	79%	0.79	S	S	*	*			cis	-169.3	143.3	-31.4	-146.8	176.4	-174.5	174.9	0	110.3
285	V	23.4	Very low	25.2	Very low	136 Å²	136	143.4 Å²	143.4	82%	0.824	79%	0.79	S	S	*	*			trans	60.1	-168	177.9	-125.9	0	0	0	0	113.6
286	V	23.1	Very low	25	Very low	132 Å²	132	143.8 Å²	143.8	80%	0.8	79%	0.789	S	S	*	*			cis	-133.1	-172.7	18.8	-157.6	0	0	0	0	110.9
287	T	22.1	Very low	25	Very low	120 Å²	120	139.8 Å²	139.8	74%	0.736	78%	0.781	S	S	*	*			trans	-124.3	154.4	178.8	52	0	0	0	0	113.6
288	V	23.6	Very low	25.2	Very low	138 Å²	138	138.7 Å²	138.7	84%	0.836	78%	0.779	S	S	*	*				176.9	163.2	122.6	150.2	0	0	0	0	110.7
289	V	25.6	Very low	25.7	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	78%	0.783	S	S	*	*			trans	-124.4	142	-166.6	-172.3	0	0	0	0	110.8
290	K	25.1	Very low	25.9	Very low	179 Å²	179	149.1 Å²	149.1	78%	0.778	79%	0.786	S	S	*	*				163.4	136.7	129	-92.7	167.7	-178	169.8	0	118.3
291	T	23.9	Very low	26	Very low	116 Å²	116	152.6 Å²	152.6	71%	0.712	79%	0.791	S	S	*	*			trans	70.7	155.4	139.6	59.1	0	0	0	0	120.1
292	K	24.3	Very low	26.2	Very low	173 Å²	173	150.3 Å²	150.3	75%	0.752	79%	0.792	S	S	*	*			cis	-156.6	151.9	-0.7	-128.2	163	-174.3	173.8	0	113.4
293	K	23.6	Very low	26.3	Very low	190 Å²	190	153.2 Å²	153.2	83%	0.826	80%	0.797	S	S	*	*			trans	49.9	111.9	148.1	-82.4	-176.1	171.4	-167.6	0	121.3
294	Q	30.4	Very low	26.5	Very low	174 Å²	174	154 Å²	154	81%	0.813	80%	0.796	S	S	*	*			trans	-76.2	164.9	132.9	-66.2	176.3	-29.4	0	0	111.4
295	P	31.2	Very low	26.8	Very low	125 Å²	125	154.3 Å²	154.3	81%	0.812	80%	0.802	S	S	*	*			trans	-106.3	154.3	142.6	6.8	14.2	0	0	0	112
296	M	25.4	Very low	27	Very low	153 Å²	153	155.8 Å²	155.8	75%	0.754	80%	0.8	S	S	*	*			trans	-97	166.4	169.6	-66.9	-159.4	-63.8	0	0	109.9
297	T	27.3	Very low	27.4	Very low	114 Å²	114	155.2 Å²	155.2	70%	0.699	79%	0.793	S	S	*	*				-163.6	165	58	46.3	0	0	0	0	110.4
298	H	30.2	Very low	27.8	Very low	182 Å²	182	158.2 Å²	158.2	84%	0.843	80%	0.804	S	S	*	*			cis	-150.3	170.5	42	-116.1	-88.4	0	0	0	113.6
299	K	33	Very low	28.1	Very low	183 Å²	183	158 Å²	158	80%	0.796	79%	0.794	S	S	*	*			trans	-120.8	137.4	-177.8	-72.5	-175.4	175.9	-177	0	114.8
300	K	29.6	Very low	28.6	Very low	203 Å²	203	158 Å²	158	88%	0.883	79%	0.79	S	S	*	*			trans	170	149.6	144	-99.7	167.9	-173.3	175	0	108
301	K	27.3	Very low	29.1	Very low	198 Å²	198	154 Å²	154	86%	0.861	79%	0.791	S	S	*	*			cis	-155.7	141.1	-12.6	-159.3	-173.8	179.9	-161.1	0	105.4
302	G	29.2	Very low	29.5	Very low	78 Å²	78	157.2 Å²	157.2	80%	0.804	80%	0.8	S	S	*	*			trans	-80.7	167.3	-166.7	0	0	0	0	0	116.2
303	E	28.1	Very low	29.8	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	80%	0.804	S	S	*	*			trans	-128.1	-179.8	170.3	-131.2	151.4	-140.1	0	0	109.9
304	L	26.3	Very low	30.1	Very low	144 Å²	144	159.8 Å²	159.8	75%	0.754	81%	0.809	S	S	*	*			trans	-78.8	154	-163.5	-93.1	61.7	0	0	0	114.3	E306	L304-E306 PolarHBondContact O-N 3.48Å
305	M	29.4	Very low	30.2	Very low	187 Å²	187	156.8 Å²	156.8	92%	0.921	81%	0.807	S	S	*	*			trans	-73.9	105.4	143	-69.8	174.9	66.9	0	0	106.7
306	E	28.9	Very low	30.3	Very low	167 Å²	167	155.7 Å²	155.7	78%	0.78	80%	0.802	S	S	*	*			trans	-93.8	163.6	171	-164.7	146.9	-134	0	0	109.9	L304	L304-E306 PolarHBondContact O-N 3.48Å
307	N	30.5	Very low	31.2	Very low	121 Å²	121	157.1 Å²	157.1	65%	0.647	81%	0.807	S	S	*	*			trans	-84.7	134.2	-166.6	-43.9	-77.8	0	0	0	111.9	Q309	N307-Q309 HydrophobicContact CB-CB 4.23Å; N307-Q309 PolarHBondContact O-N 2.61Å; N307-Q309 VanDerWaalsContact O-N 3.1Å
308	D	31.5	Very low	31.8	Very low	182 Å²	182	161.1 Å²	161.1	97%	0.973	82%	0.818	S	S	*	*			trans	-66.4	105	154.1	-75.6	-50.4	0	0	0	108
309	Q	28.5	Very low	32	Very low	133 Å²	133	161.3 Å²	161.3	62%	0.621	82%	0.819	S	S	*	*			trans	-122.9	128.4	-163.9	-173.1	163.7	-3.1	0	0	112.8	N307 A311	N307-Q309 HydrophobicContact CB-CB 4.23Å; N307-Q309 PolarHBondContact O-N 2.61Å; N307-Q309 VanDerWaalsContact O-N 3.1Å; Q309-A311 PolarHBondContact O-N 2.99Å
310	D	38	Very low	32.4	Very low	124 Å²	124	162 Å²	162	66%	0.663	83%	0.825	S	S	*	*			trans	34.1	74.6	156	-54.2	-43.6	0	0	0	117.3
311	A	34.1	Very low	32.8	Very low	96 Å²	96	157.6 Å²	157.6	79%	0.793	82%	0.815	S	S	*	*			trans	-115	57.6	175.1	0	0	0	0	0	113.1	Q309	Q309-A311 PolarHBondContact O-N 2.99Å
312	M	32.2	Very low	33.7	Very low	182 Å²	182	152.8 Å²	152.8	90%	0.897	80%	0.798	S	S	*	*			trans	-159.6	151.6	166.3	-147.8	159.4	-75.4	0	0	114
313	E	32.1	Very low	34.3	Very low	179 Å²	179	155.4 Å²	155.4	84%	0.836	79%	0.794	S	S	*	*			trans	71.8	55.4	161.2	-148.6	164.7	-124	0	0	117.5
314	Y	28.1	Very low	35.1	Very low	239 Å²	239	153.4 Å²	153.4	94%	0.937	78%	0.784	S	S	*	*			trans	-108.3	93.5	138.4	-119.8	-85.4	0	0	0	107.8
315	S	32.8	Very low	36.4	Very low	111 Å²	111	150.4 Å²	150.4	78%	0.776	77%	0.772	S	S	*	*			trans	-101.4	98	169.9	-169.1	0	0	0	0	108.4
316	S	34.3	Very low	37.5	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	74%	0.743	S	S	*	*			trans	-66	162.6	144.3	49.6	0	0	0	0	109.1
317	E	43.1	Very low	38	Very low	184 Å²	184	140.4 Å²	140.4	86%	0.86	73%	0.732	S	S	*	*	S	Bend	trans	-72.2	167.7	177.9	-62.3	165.8	141.3	0	0	111.2
318	E	40.6	Very low	38.9	Very low	197 Å²	197	138.1 Å²	138.1	92%	0.921	72%	0.723	S	S	*	*			trans	76.5	62.3	-177.2	-54.4	-170.3	176.3	0	0	118.2
319	E	34.9	Very low	39.6	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	69%	0.688	S	S	*	*			trans	-129.3	134.4	149	-72.9	-164.8	153.6	0	0	111.3	V321	E319-V321 PolarHBondContact O-N 3.45Å
320	E	40.1	Very low	40.2	Very low	199 Å²	199	127.7 Å²	127.7	93%	0.93	67%	0.673	S	S	*	*			trans	-78.2	110.9	178.4	-69.1	-177.9	143.2	0	0	110.1	D322	E320-D322 PolarHBondContact O-N 3.2Å
321	V	39	Very low	40.1	Very low	110 Å²	110	126.8 Å²	126.8	67%	0.667	67%	0.665	S	S	*	*			trans	-78.2	111.3	-173.1	-151.8	0	0	0	0	111.1	E319 T325	E319-V321 PolarHBondContact O-N 3.45Å; V321-T325 HydrophobicContact CG1-CG2 3.72Å
322	D	46.1	Very low	40.7	Very low	96 Å²	96	125.8 Å²	125.8	51%	0.513	65%	0.649	S	S	.	*			trans	-56	147.5	177.9	175.4	42.4	0	0	0	113.1	E320 Q324 T325 A326	E320-D322 PolarHBondContact O-N 3.2Å; D322-Q324 PolarHBondContact O-N 2.76Å; D322-Q324 WeakPolarHBondContact OD2-CB 3.17Å; D322-Q324 PolarHBondContact OD2-N 3.31Å; D322-T325 CarbonylContact O-C 3.58Å; D322-T325 WeakPolarHBondContact O-CA 3.5Å; D322-T325 WeakPolarHBondContact O-CB 3.4Å; D322-T325 PolarHBondContact O-N 3.03Å; D322-A326 PolarHBondContact O-N 2.89Å
323	L	41.5	Very low	41.4	Very low	134 Å²	134	124.2 Å²	124.2	70%	0.702	64%	0.637	S	S	*	*	H	α-helix	trans	-57.8	-33.9	-177.5	-88.2	163.1	0	0	0	112.9	A326 L327	L323-A326 PolarHBondContact O-N 2.99Å; L323-L327 PolarHBondContact O-N 3.34Å
324	Q	44.5	Very low	41.7	Very low	150 Å²	150	120.8 Å²	120.8	70%	0.701	62%	0.622	S	S	*	*	H	α-helix	trans	-74	-34.4	178.7	-159.4	160.3	-24.6	0	0	111.6	D322 T328	D322-Q324 PolarHBondContact O-N 2.76Å; D322-Q324 WeakPolarHBondContact OD2-CB 3.17Å; D322-Q324 PolarHBondContact OD2-N 3.31Å; Q324-T328 WeakPolarHBondContact O-CG2 3.18Å; Q324-T328 PolarHBondContact O-N 2.72Å; Q324-T328 VanDerWaalsContact O-N 3.09Å; Q324-T328 PolarHBondContact O-OG1 3.1Å
325	T	54.8	Low	42.5	Very low	80 Å²	80	119.1 Å²	119.1	49%	0.491	61%	0.613	S	S	.	*	H	α-helix	trans	-69.7	-36.6	169.3	-58	0	0	0	0	111.5	V321 D322 T328 G329	V321-T325 HydrophobicContact CG1-CG2 3.72Å; D322-T325 CarbonylContact O-C 3.58Å; D322-T325 WeakPolarHBondContact O-CA 3.5Å; D322-T325 WeakPolarHBondContact O-CB 3.4Å; D322-T325 PolarHBondContact O-N 3.03Å; T325-T328 WeakPolarHBondContact CA-OG1 3.36Å; T325-T328 PolarHBondContact O-OG1 3.02Å; T325-G329 PolarHBondContact O-N 3.19Å
326	A	51.3	Low	43.5	Very low	39 Å²	39	119.5 Å²	119.5	32%	0.322	60%	0.601	S	S	.	*	H	α-helix	trans	-65.9	-42.6	173.9	0	0	0	0	0	112.3	D322 L323 G329 F330	D322-A326 PolarHBondContact O-N 2.89Å; L323-A326 PolarHBondContact O-N 2.99Å; A326-G329 CarbonylContact O-C 3.39Å; A326-G329 PolarHBondContact O-N 3.25Å; A326-F330 WeakPolarHBondContact O-CB 3.28Å; A326-F330 PolarHBondContact O-N 3.03Å
327	L	40.8	Very low	44.7	Very low	105 Å²	105	119.1 Å²	119.1	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-64.6	-45.8	176.4	-109.2	79.9	0	0	0	112.5	L323 G329 F330 Q331	L323-L327 PolarHBondContact O-N 3.34Å; L327-G329 VanDerWaalsContact C-N 3.34Å; L327-F330 WeakPolarHBondContact O-CA 3.18Å; L327-F330 WeakPolarHBondContact O-CB 3.41Å; L327-F330 PolarHBondContact O-N 3.37Å; L327-Q331 PolarHBondContact O-N 3.35Å
328	T	49.1	Very low	46	Very low	73 Å²	73	111.3 Å²	111.3	45%	0.448	56%	0.559	S	S	.	*	H	α-helix	trans	-67.9	-35.6	176.7	49.6	0	0	0	0	111.7	Q324 T325 F330 Q331 T332	Q324-T328 WeakPolarHBondContact O-CG2 3.18Å; Q324-T328 PolarHBondContact O-N 2.72Å; Q324-T328 VanDerWaalsContact O-N 3.09Å; Q324-T328 PolarHBondContact O-OG1 3.1Å; T325-T328 WeakPolarHBondContact CA-OG1 3.36Å; T325-T328 PolarHBondContact O-OG1 3.02Å; T328-F330 PolarHBondContact O-N 2.61Å; T328-Q331 PolarHBondContact O-N 3.15Å; T328-T332 WeakPolarHBondContact O-CB 3.49Å; T328-T332 WeakPolarHBondContact O-CG2 3.41Å; T328-T332 PolarHBondContact O-N 3.1Å; T328-T332 PolarHBondContact O-OG1 2.95Å
329	G	46	Very low	47.7	Very low	23 Å²	23	110.1 Å²	110.1	24%	0.237	55%	0.553	C	S	.	*	H	α-helix	trans	-61.3	-28.1	166.3	0	0	0	0	0	114	T325 A326 L327 T332 K333	T325-G329 PolarHBondContact O-N 3.19Å; A326-G329 CarbonylContact O-C 3.39Å; A326-G329 PolarHBondContact O-N 3.25Å; L327-G329 VanDerWaalsContact C-N 3.34Å; G329-T332 WeakPolarHBondContact CA-OG1 3.4Å; G329-T332 PolarHBondContact O-OG1 3.07Å; G329-K333 WeakPolarHBondContact O-CB 3.41Å; G329-K333 WeakPolarHBondContact O-CD 3.46Å; G329-K333 WeakPolarHBondContact O-CG 3.37Å; G329-K333 PolarHBondContact O-N 3.39Å
330	F	41.1	Very low	49.7	Very low	73 Å²	73	107.1 Å²	107.1	32%	0.32	55%	0.549	S	S	.	.	H	α-helix	trans	-77.3	-48.6	174.8	-118.5	-97.3	0	0	0	112.1	A326 L327 T328 T332 K333 Q334 Q815	A326-F330 WeakPolarHBondContact O-CB 3.28Å; A326-F330 PolarHBondContact O-N 3.03Å; L327-F330 WeakPolarHBondContact O-CA 3.18Å; L327-F330 WeakPolarHBondContact O-CB 3.41Å; L327-F330 PolarHBondContact O-N 3.37Å; T328-F330 PolarHBondContact O-N 2.61Å; F330-T332 VanDerWaalsContact C-N 3.31Å; F330-T332 PolarHBondContact O-N 3.49Å; F330-K333 WeakPolarHBondContact O-CB 3.32Å; F330-K333 PolarHBondContact O-N 3.14Å; F330-K333 VanDerWaalsContact O-N 3.1Å; F330-Q334 PolarHBondContact O-N 2.93Å; F330-Q815 VanDerWaalsContact CE1-CD 3.49Å; F330-Q815 HydrophobicContact CE1-CG 3.69Å; F330-Q815 HydrophobicContact CZ-CB 4.29Å; F330-Q815 VanDerWaalsContact CZ-CD 3.48Å; F330-Q815 HydrophobicContact CZ-CG 3.8Å
331	Q	35.7	Very low	51.9	Low	106 Å²	106	99.7 Å²	99.7	50%	0.495	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-36.7	176.9	-69.6	-179.8	-5.5	0	0	111.6	L327 T328 Q334 R335	L327-Q331 PolarHBondContact O-N 3.35Å; T328-Q331 PolarHBondContact O-N 3.15Å; Q331-Q334 PolarHBondContact O-N 3.19Å; Q331-R335 WeakPolarHBondContact O-CG 3.46Å; Q331-R335 PolarHBondContact O-N 3.39Å
332	T	46.4	Very low	54.1	Low	75 Å²	75	97.5 Å²	97.5	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-70	-30.7	172.5	49.2	0	0	0	0	113.2	T328 G329 F330 R335 K336	T328-T332 WeakPolarHBondContact O-CB 3.49Å; T328-T332 WeakPolarHBondContact O-CG2 3.41Å; T328-T332 PolarHBondContact O-N 3.1Å; T328-T332 PolarHBondContact O-OG1 2.95Å; G329-T332 WeakPolarHBondContact CA-OG1 3.4Å; G329-T332 PolarHBondContact O-OG1 3.07Å; F330-T332 VanDerWaalsContact C-N 3.31Å; F330-T332 PolarHBondContact O-N 3.49Å; T332-R335 PolarHBondContact O-N 2.94Å; T332-K336 PolarHBondContact O-N 3.17Å
333	K	46.1	Very low	56.2	Low	148 Å²	148	95.1 Å²	95.1	64%	0.643	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-36.7	169.4	-78.7	167.5	-173.8	169.9	0	112.5	G329 F330 K336	G329-K333 WeakPolarHBondContact O-CB 3.41Å; G329-K333 WeakPolarHBondContact O-CD 3.46Å; G329-K333 WeakPolarHBondContact O-CG 3.37Å; G329-K333 PolarHBondContact O-N 3.39Å; F330-K333 WeakPolarHBondContact O-CB 3.32Å; F330-K333 PolarHBondContact O-N 3.14Å; F330-K333 VanDerWaalsContact O-N 3.1Å; K333-K336 PolarHBondContact O-N 3.07Å
334	Q	39.8	Very low	58.5	Low	108 Å²	108	94.9 Å²	94.9	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-68	-40.5	171.2	-75.6	-179.3	-26	0	0	112	F330 Q331 K336 V337	F330-Q334 PolarHBondContact O-N 2.93Å; Q331-Q334 PolarHBondContact O-N 3.19Å; Q334-K336 PolarHBondContact O-N 2.73Å; Q334-V337 PolarHBondContact O-N 2.96Å
335	R	45	Very low	60.6	Low	203 Å²	203	95.8 Å²	95.8	77%	0.766	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-0.6	173.3	-72.5	178.9	177.4	-177.5	0.8	115.1	Q331 T332	Q331-R335 WeakPolarHBondContact O-CG 3.46Å; Q331-R335 PolarHBondContact O-N 3.39Å; T332-R335 PolarHBondContact O-N 2.94Å
336	K	52.9	Low	62.3	Low	119 Å²	119	93.8 Å²	93.8	52%	0.517	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.9	172.3	-78.3	-166.5	176.6	-162.7	0	114.3	T332 K333 Q334 L338 D528	T332-K336 PolarHBondContact O-N 3.17Å; K333-K336 PolarHBondContact O-N 3.07Å; Q334-K336 PolarHBondContact O-N 2.73Å; K336-L338 PolarHBondContact O-N 2.89Å; K336-D528 WeakPolarHBondContact CE-OD1 3.29Å; K336-D528 IonicContact NZ-OD1 2.69Å; K336-D528 PolarHBondContact NZ-OD1 3.19Å
337	V	59.8	Low	64.1	Low	93 Å²	93	101.3 Å²	101.3	56%	0.564	51%	0.508	S	S	*	.	S	Bend	trans	-73.9	121.9	164.8	-179.7	0	0	0	0	108.3	Q334 E339	Q334-V337 PolarHBondContact O-N 2.96Å; V337-E339 PolarHBondContact O-N 2.96Å
338	L	71.6	Confident	66.5	Low	21 Å²	21	98.6 Å²	98.6	11%	0.11	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-67.6	126.3	168.4	-73.5	171.6	0	0	0	108.9	K336 I527 L530	K336-L338 PolarHBondContact O-N 2.89Å; L338-I527 HydrophobicContact CD1-CB 4.32Å; L338-I527 HydrophobicContact CD1-CG1 4.06Å; L338-I527 HydrophobicContact CD1-CG2 4.04Å; L338-I527 HydrophobicContact CG-CG2 4.14Å; L338-L530 HydrophobicContact CD1-CB 4.09Å; L338-L530 HydrophobicContact CD1-CD1 4.08Å; L338-L530 HydrophobicContact CD2-CB 3.51Å; L338-L530 HydrophobicContact CG-CB 4.45Å
339	E	74.3	Confident	68.4	Low	171 Å²	171	99.6 Å²	99.6	80%	0.799	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-60.3	130.4	174.1	-65.7	178.3	171.9	0	0	109.7	V337 V341	V337-E339 PolarHBondContact O-N 2.96Å; E339-V341 PolarHBondContact O-N 3.34Å
340	P	78.2	Confident	70.6	Confident	123 Å²	123	104.3 Å²	104.3	80%	0.799	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-59.9	127.6	175	-25.3	35.5	0	0	0	111.2	D342	P340-D342 PolarHBondContact O-N 3.31Å
341	V	85.4	Confident	73.2	Confident	43 Å²	43	102.5 Å²	102.5	26%	0.261	51%	0.511	S	S	.	.			trans	-84.4	114	-177.9	175.1	0	0	0	0	109.7	E339 H343 I346 N569	E339-V341 PolarHBondContact O-N 3.34Å; V341-H343 PolarHBondContact O-CD2 3.04Å; V341-H343 PolarHBondContact O-N 3.04Å; V341-I346 HydrophobicContact CG1-CD1 3.49Å; V341-I346 VanDerWaalsContact CG1-CD1 3.49Å; V341-N569 HydrophobicContact CG2-CB 4.41Å; V341-N569 VanDerWaalsContact CG2-OD1 3.25Å; V341-N569 WeakPolarHBondContact CG2-OD1 3.44Å
342	D	86.5	Confident	76	Confident	64 Å²	64	104 Å²	104	34%	0.342	51%	0.512	S	S	.	.			trans	-71.7	92.4	171.3	-172.8	-11.6	0	0	0	110.8	P340 T344 K345	P340-D342 PolarHBondContact O-N 3.31Å; D342-T344 PolarHBondContact O-N 3.35Å; D342-T344 VanDerWaalsContact OD1-CB 3.32Å; D342-T344 WeakPolarHBondContact OD1-CB 3.36Å; D342-T344 PolarHBondContact OD1-N 3.41Å; D342-T344 PolarHBondContact OD1-OG1 3.47Å; D342-T344 PolarHBondContact OD2-OG1 2.92Å; D342-K345 HydrophobicContact CB-CD 4.44Å; D342-K345 HydrophobicContact CB-CG 4.45Å; D342-K345 PolarHBondContact O-N 3.37Å; D342-K345 IonicContact OD2-NZ 2.65Å; D342-K345 PolarHBondContact OD2-NZ 3.31Å
343	H	89.3	Confident	78.1	Confident	46 Å²	46	103.7 Å²	103.7	21%	0.213	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.5	176.9	-66	-59.7	0	0	0	114	V341 K345 Y348 D568 V570	V341-H343 PolarHBondContact O-CD2 3.04Å; V341-H343 PolarHBondContact O-N 3.04Å; H343-K345 VanDerWaalsContact C-N 3.32Å; H343-Y348 HydrophobicContact CB-CE2 4.39Å; H343-Y348 AromaticContact ND1-CE2 3.97Å; H343-Y348 AromaticContact ND1-CZ 3.75Å; H343-Y348 PolarHBondContact ND1-OH 3.09Å; H343-D568 PolarHBondContact NE2-O 2.59Å; H343-V570 PolarHBondContact NE2-O 3.3Å
344	T	89.3	Confident	80.4	Confident	130 Å²	130	100.5 Å²	100.5	80%	0.798	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-73.3	-27	177.5	73.7	0	0	0	0	112.2	D342	D342-T344 PolarHBondContact O-N 3.35Å; D342-T344 VanDerWaalsContact OD1-CB 3.32Å; D342-T344 WeakPolarHBondContact OD1-CB 3.36Å; D342-T344 PolarHBondContact OD1-N 3.41Å; D342-T344 PolarHBondContact OD1-OG1 3.47Å; D342-T344 PolarHBondContact OD2-OG1 2.92Å
345	K	89.7	Confident	82.9	Confident	169 Å²	169	96.2 Å²	96.2	74%	0.735	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-86.7	-4.7	178.6	-65.3	-174.9	175.6	87.2	0	113.8	D342 H343	D342-K345 HydrophobicContact CB-CD 4.44Å; D342-K345 HydrophobicContact CB-CG 4.45Å; D342-K345 PolarHBondContact O-N 3.37Å; D342-K345 IonicContact OD2-NZ 2.65Å; D342-K345 PolarHBondContact OD2-NZ 3.31Å; H343-K345 VanDerWaalsContact C-N 3.32Å
346	I	89.2	Confident	85.1	Confident	38 Å²	38	87.9 Å²	87.9	20%	0.195	44%	0.443	C	S	.	.			trans	-109.9	113.6	-175.7	-59.7	178.4	0	0	0	110	V341 Y348	V341-I346 HydrophobicContact CG1-CD1 3.49Å; V341-I346 VanDerWaalsContact CG1-CD1 3.49Å; I346-Y348 HydrophobicContact CB-CD2 4.47Å; I346-Y348 HydrophobicContact CB-CE2 3.81Å; I346-Y348 HydrophobicContact CG2-CD1 4.13Å; I346-Y348 HydrophobicContact CG2-CD2 4.21Å; I346-Y348 HydrophobicContact CG2-CE1 3.67Å; I346-Y348 HydrophobicContact CG2-CE2 3.77Å; I346-Y348 HydrophobicContact CG2-CG 4.37Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.46Å; I346-Y348 WeakPolarHBondContact O-CD2 3.48Å; I346-Y348 WeakPolarHBondContact O-CE2 3.16Å; I346-Y348 PolarHBondContact O-N 3.45Å
347	Q	89.9	Confident	87	Confident	197 Å²	197	87.4 Å²	87.4	92%	0.921	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-72.7	117.9	169.5	-168	175	21.8	0	0	109.8
348	Y	91.5	Very high	88.4	Confident	48 Å²	48	86.3 Å²	86.3	19%	0.188	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-99.1	138.9	-179.4	-73	-72.8	0	0	0	112.4	H343 I346 S350 R571	H343-Y348 HydrophobicContact CB-CE2 4.39Å; H343-Y348 AromaticContact ND1-CE2 3.97Å; H343-Y348 AromaticContact ND1-CZ 3.75Å; H343-Y348 PolarHBondContact ND1-OH 3.09Å; I346-Y348 HydrophobicContact CB-CD2 4.47Å; I346-Y348 HydrophobicContact CB-CE2 3.81Å; I346-Y348 HydrophobicContact CG2-CD1 4.13Å; I346-Y348 HydrophobicContact CG2-CD2 4.21Å; I346-Y348 HydrophobicContact CG2-CE1 3.67Å; I346-Y348 HydrophobicContact CG2-CE2 3.77Å; I346-Y348 HydrophobicContact CG2-CG 4.37Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.46Å; I346-Y348 WeakPolarHBondContact O-CD2 3.48Å; I346-Y348 WeakPolarHBondContact O-CE2 3.16Å; I346-Y348 PolarHBondContact O-N 3.45Å; Y348-S350 PolarHBondContact O-N 2.88Å; Y348-R571 HydrophobicContact CD1-CB 3.9Å; Y348-R571 HydrophobicContact CD2-CB 4.23Å; Y348-R571 HydrophobicContact CE1-CB 3.64Å; Y348-R571 HydrophobicContact CE2-CB 3.98Å; Y348-R571 HydrophobicContact CG-CB 4.2Å
349	E	89.6	Confident	89.4	Confident	94 Å²	94	87 Å²	87	44%	0.439	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-59.7	130.4	169.1	-79.8	168.3	-138.1	0	0	111.1	R458 R542 R571	E349-R458 IonicContact OE1-CZ 3.9Å; E349-R458 IonicContact OE1-NE 2.74Å; E349-R458 PolarHBondContact OE1-NE 3.43Å; E349-R458 IonicContact OE1-NH2 3.22Å; E349-R458 PolarHBondContact OE1-NH2 2.88Å; E349-R458 IonicContact OE2-CZ 2.67Å; E349-R458 IonicContact OE2-NE 3.37Å; E349-R458 PolarHBondContact OE2-NE 3.18Å; E349-R458 IonicContact OE2-NH2 3.02Å; E349-R458 PolarHBondContact OE2-NH2 3.39Å; E349-R542 IonicContact OE2-NH1 3.34Å; E349-R542 PolarHBondContact OE2-NH1 3.34Å; E349-R571 VanDerWaalsContact O-CZ 3.31Å; E349-R571 PolarHBondContact O-NH1 2.82Å; E349-R571 PolarHBondContact O-NH2 3.47Å
350	S	92.1	Very high	90.1	Very high	121 Å²	121	83.4 Å²	83.4	85%	0.846	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-65.2	136.9	169.9	57.9	0	0	0	0	110.5	Y348	Y348-S350 PolarHBondContact O-N 2.88Å
351	Y	94.9	Very high	90.7	Very high	36 Å²	36	83.8 Å²	83.8	14%	0.141	43%	0.426	C	S	.	.			trans	-136.9	153.7	177.8	81.3	-79.8	0	0	0	111.4	K353 H453 T544 D573 R574 Q575	Y351-K353 HydrophobicContact CD2-CG 4.49Å; Y351-K353 HydrophobicContact CE2-CG 3.73Å; Y351-K353 WeakPolarHBondContact OH-CE 3.5Å; Y351-H453 AromaticContact CE2-CE1 3.42Å; Y351-H453 VanDerWaalsContact CE2-CE1 3.42Å; Y351-H453 WeakPolarHBondContact CE2-CE1 3.43Å; Y351-H453 AromaticContact CE2-NE2 3.93Å; Y351-T544 HydrophobicContact CD1-CG2 3.56Å; Y351-T544 HydrophobicContact CD2-CG2 4.16Å; Y351-T544 HydrophobicContact CE1-CG2 3.55Å; Y351-T544 HydrophobicContact CE2-CG2 4.16Å; Y351-T544 HydrophobicContact CG-CG2 3.86Å; Y351-T544 PolarHBondContact OH-O 3.41Å; Y351-D573 PolarHBondContact OH-O 3.36Å; Y351-D573 VanDerWaalsContact OH-O 3.09Å; Y351-R574 VanDerWaalsContact OH-C 3.27Å; Y351-R574 WeakPolarHBondContact OH-CA 3.36Å; Y351-Q575 PolarHBondContact OH-N 2.84Å
352	R	94.1	Very high	90.9	Very high	137 Å²	137	81.8 Å²	81.8	52%	0.517	41%	0.414	S	S	.	.			trans	-77.6	129.5	177.6	-177.3	177	-179.3	159.1	3.1	110.1	N354 F355 D456	R352-N354 PolarHBondContact NE-O 3.13Å; R352-N354 PolarHBondContact NH2-O 3.27Å; R352-F355 HydrophobicContact CB-CE1 3.98Å; R352-F355 HydrophobicContact CG-CD1 4.11Å; R352-F355 HydrophobicContact CG-CE1 3.81Å; R352-F355 WeakPolarHBondContact O-CE1 3.43Å; R352-F355 WeakPolarHBondContact O-CZ 3.41Å; R352-D456 VanDerWaalsContact CD-OD2 3.29Å; R352-D456 WeakPolarHBondContact CD-OD2 3.42Å
353	K	91.7	Very high	91.1	Very high	68 Å²	68	81.2 Å²	81.2	30%	0.296	42%	0.418	S	S	.	.			trans	-96.7	-42	171.1	-58.8	-165.9	-177.4	-163.2	0	113.8	Y351 F355 G429 D573 R574	Y351-K353 HydrophobicContact CD2-CG 4.49Å; Y351-K353 HydrophobicContact CE2-CG 3.73Å; Y351-K353 WeakPolarHBondContact OH-CE 3.5Å; K353-F355 VanDerWaalsContact O-CD2 3.32Å; K353-F355 WeakPolarHBondContact O-CD2 3.35Å; K353-F355 VanDerWaalsContact O-CE2 3.26Å; K353-F355 WeakPolarHBondContact O-CE2 3.39Å; K353-F355 PolarHBondContact O-N 3.43Å; K353-G429 WeakPolarHBondContact O-CA 3.39Å; K353-G429 PolarHBondContact O-N 2.85Å; K353-D573 WeakPolarHBondContact CE-O 3.42Å; K353-D573 PolarHBondContact NZ-O 3.09Å; K353-R574 PolarHBondContact NZ-O 3.35Å
354	N	93.9	Very high	91.2	Very high	81 Å²	81	87.4 Å²	87.4	43%	0.433	44%	0.444	S	S	.	.			trans	-92.1	104	-173.1	-176.4	0.6	0	0	0	111.8	R352 Y356 S428	R352-N354 PolarHBondContact NE-O 3.13Å; R352-N354 PolarHBondContact NH2-O 3.27Å; N354-Y356 PolarHBondContact OD1-N 2.77Å; N354-Y356 VanDerWaalsContact OD1-N 3.09Å; N354-Y356 PolarHBondContact OD1-O 3.39Å; N354-S428 WeakPolarHBondContact CB-O 3.49Å; N354-S428 WeakPolarHBondContact OD1-CA 3.43Å
355	F	91.4	Very high	91.3	Very high	18 Å²	18	81.9 Å²	81.9	8%	0.079	41%	0.41	C	S	.	.			trans	-101.9	-10	174.5	-44.3	-73.4	0	0	0	113.2	R352 K353 V357 M427 R452 H453 D456	R352-F355 HydrophobicContact CB-CE1 3.98Å; R352-F355 HydrophobicContact CG-CD1 4.11Å; R352-F355 HydrophobicContact CG-CE1 3.81Å; R352-F355 WeakPolarHBondContact O-CE1 3.43Å; R352-F355 WeakPolarHBondContact O-CZ 3.41Å; K353-F355 VanDerWaalsContact O-CD2 3.32Å; K353-F355 WeakPolarHBondContact O-CD2 3.35Å; K353-F355 VanDerWaalsContact O-CE2 3.26Å; K353-F355 WeakPolarHBondContact O-CE2 3.39Å; K353-F355 PolarHBondContact O-N 3.43Å; F355-V357 PolarHBondContact O-N 3.06Å; F355-M427 HydrophobicContact CB-SD 4.48Å; F355-M427 PolarHBondContact N-O 2.97Å; F355-R452 HydrophobicContact CB-CG 3.96Å; F355-R452 HydrophobicContact CD1-CG 4.48Å; F355-R452 HydrophobicContact CD2-CG 4.3Å; F355-R452 HydrophobicContact CG-CG 3.99Å; F355-H453 HydrophobicContact CE2-CB 3.76Å; F355-H453 AromaticContact CE2-ND1 3.85Å; F355-H453 HydrophobicContact CZ-CB 4.08Å; F355-D456 HydrophobicContact CD1-CB 4.33Å; F355-D456 HydrophobicContact CE1-CB 3.56Å; F355-D456 WeakPolarHBondContact CE1-OD2 3.12Å; F355-D456 HydrophobicContact CZ-CB 4.25Å
356	Y	92.9	Very high	91.5	Very high	28 Å²	28	77 Å²	77	11%	0.11	39%	0.394	C	S	.	.			trans	-75.2	126.8	-173.6	-168.2	-113.8	0	0	0	111.4	N354 E358 P388 P424 M427	N354-Y356 PolarHBondContact OD1-N 2.77Å; N354-Y356 VanDerWaalsContact OD1-N 3.09Å; N354-Y356 PolarHBondContact OD1-O 3.39Å; Y356-E358 HydrophobicContact CE1-CB 3.85Å; Y356-E358 HydrophobicContact CE1-CG 4.33Å; Y356-P388 HydrophobicContact CD1-CB 4.29Å; Y356-P388 HydrophobicContact CD1-CG 4.47Å; Y356-P388 HydrophobicContact CE1-CB 4.04Å; Y356-P424 HydrophobicContact CD2-CB 3.96Å; Y356-P424 HydrophobicContact CE1-CB 4.1Å; Y356-P424 HydrophobicContact CE2-CB 3.52Å; Y356-P424 HydrophobicContact CG-CB 4.45Å; Y356-M427 HydrophobicContact CD2-CB 4.03Å; Y356-M427 HydrophobicContact CG-CB 4.32Å; Y356-M427 PolarHBondContact N-O 2.87Å
357	V	91.1	Very high	91.5	Very high	110 Å²	110	80.4 Å²	80.4	67%	0.667	42%	0.417	S	S	*	.			trans	-120.4	114.1	168.9	-179	0	0	0	0	106.1	F355 V359	F355-V357 PolarHBondContact O-N 3.06Å; V357-V359 PolarHBondContact O-N 2.86Å
358	E	89.9	Confident	91.6	Very high	69 Å²	69	78.1 Å²	78.1	32%	0.322	41%	0.406	S	S	.	.			trans	-66.6	130.6	179.9	-171.9	171.3	-164.2	0	0	110.1	Y356 L362 A363 K389	Y356-E358 HydrophobicContact CE1-CB 3.85Å; Y356-E358 HydrophobicContact CE1-CG 4.33Å; E358-L362 HydrophobicContact CG-CB 3.86Å; E358-L362 VanDerWaalsContact OE1-C 3.27Å; E358-L362 WeakPolarHBondContact OE1-CB 3.43Å; E358-A363 HydrophobicContact CG-CB 4.22Å; E358-A363 PolarHBondContact OE1-N 2.88Å; E358-K389 WeakPolarHBondContact OE1-CD 3.42Å; E358-K389 WeakPolarHBondContact OE1-CE 3.4Å; E358-K389 WeakPolarHBondContact OE1-CG 3.31Å; E358-K389 IonicContact OE1-NZ 2.85Å
359	V	92.2	Very high	91.7	Very high	36 Å²	36	80.5 Å²	80.5	22%	0.218	42%	0.419	C	S	.	.			trans	-72.7	147.6	178	-63.6	0	0	0	0	110.6	V357 E361 L362 A363 Q396	V357-V359 PolarHBondContact O-N 2.86Å; V359-E361 HydrophobicContact CG2-CB 4.12Å; V359-E361 PolarHBondContact O-N 2.72Å; V359-L362 HydrophobicContact CG2-CB 4.04Å; V359-L362 HydrophobicContact CG2-CD1 3.85Å; V359-L362 HydrophobicContact CG2-CG 3.65Å; V359-L362 PolarHBondContact O-N 3.24Å; V359-A363 PolarHBondContact O-N 3.28Å; V359-Q396 HydrophobicContact CG1-CB 4.41Å; V359-Q396 HydrophobicContact CG1-CG 4.32Å; V359-Q396 HydrophobicContact CG2-CB 4.24Å; V359-Q396 HydrophobicContact CG2-CG 3.81Å
360	P	90.1	Very high	91.9	Very high	95 Å²	95	76.3 Å²	76.3	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-56.4	-22.7	179.7	-28.7	36.2	0	0	0	115.1	K364	P360-K364 WeakPolarHBondContact O-CD 3.36Å; P360-K364 VanDerWaalsContact O-CG 3.22Å; P360-K364 WeakPolarHBondContact O-CG 3.46Å; P360-K364 PolarHBondContact O-N 3Å
361	E	90.1	Very high	91.8	Very high	132 Å²	132	74.9 Å²	74.9	62%	0.617	38%	0.383	S	S	*	.	H	α-helix	trans	-67.8	-42.2	174	-58.2	175.4	151.3	0	0	112.5	V359 Q396	V359-E361 HydrophobicContact CG2-CB 4.12Å; V359-E361 PolarHBondContact O-N 2.72Å; E361-Q396 PolarHBondContact OE2-NE2 3.25Å
362	L	90.3	Very high	91.8	Very high	1 Å²	1	76 Å²	76	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-79.7	-42.3	178.2	-64.9	177	0	0	0	110	E358 V359 K364 M365 K389 I391 Q396	E358-L362 HydrophobicContact CG-CB 3.86Å; E358-L362 VanDerWaalsContact OE1-C 3.27Å; E358-L362 WeakPolarHBondContact OE1-CB 3.43Å; V359-L362 HydrophobicContact CG2-CB 4.04Å; V359-L362 HydrophobicContact CG2-CD1 3.85Å; V359-L362 HydrophobicContact CG2-CG 3.65Å; V359-L362 PolarHBondContact O-N 3.24Å; L362-K364 PolarHBondContact O-N 3.33Å; L362-K364 VanDerWaalsContact O-N 3.1Å; L362-M365 HydrophobicContact CD2-SD 3.87Å; L362-M365 WeakPolarHBondContact O-CB 3.48Å; L362-M365 PolarHBondContact O-N 3.11Å; L362-K389 WeakPolarHBondContact O-CD 3.19Å; L362-K389 WeakPolarHBondContact O-CE 3.21Å; L362-K389 PolarHBondContact O-NZ 2.88Å; L362-I391 HydrophobicContact CD1-CG2 4Å; L362-Q396 HydrophobicContact CD1-CB 4.36Å
363	A	90.1	Very high	91.7	Very high	51 Å²	51	70.8 Å²	70.8	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-53.3	-36.9	178.4	0	0	0	0	0	112.4	E358 V359 K389	E358-A363 HydrophobicContact CG-CB 4.22Å; E358-A363 PolarHBondContact OE1-N 2.88Å; V359-A363 PolarHBondContact O-N 3.28Å; A363-K389 PolarHBondContact O-NZ 2.99Å
364	K	91.8	Very high	91.8	Very high	176 Å²	176	69.3 Å²	69.3	77%	0.765	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.7	175.8	-75.9	174.6	-179.1	-174.9	0	115.8	P360 L362 T366	P360-K364 WeakPolarHBondContact O-CD 3.36Å; P360-K364 VanDerWaalsContact O-CG 3.22Å; P360-K364 WeakPolarHBondContact O-CG 3.46Å; P360-K364 PolarHBondContact O-N 3Å; L362-K364 PolarHBondContact O-N 3.33Å; L362-K364 VanDerWaalsContact O-N 3.1Å; K364-T366 PolarHBondContact O-N 3.21Å
365	M	91.2	Very high	91.7	Very high	15 Å²	15	71.7 Å²	71.7	7%	0.074	39%	0.385	C	S	.	.			trans	-64.7	134.5	-178	-70.5	-179.9	58.9	0	0	111.6	L362 E369 V370 Y373 K389	L362-M365 HydrophobicContact CD2-SD 3.87Å; L362-M365 WeakPolarHBondContact O-CB 3.48Å; L362-M365 PolarHBondContact O-N 3.11Å; M365-E369 WeakPolarHBondContact CA-OE2 3.34Å; M365-E369 HydrophobicContact CB-CB 4.42Å; M365-E369 HydrophobicContact CE-CB 4.01Å; M365-V370 HydrophobicContact CB-CG2 4.02Å; M365-V370 HydrophobicContact CE-CG2 4.01Å; M365-Y373 HydrophobicContact CE-CD1 4.49Å; M365-K389 HydrophobicContact CB-CD 4.42Å; M365-K389 PolarHBondContact O-NZ 2.73Å
366	T	93.3	Very high	91.7	Very high	65 Å²	65	77.8 Å²	77.8	40%	0.399	41%	0.414	S	S	.	.			trans	-70.1	163.4	174.5	77.1	0	0	0	0	111.4	K364 E368 E369 V370	K364-T366 PolarHBondContact O-N 3.21Å; T366-E368 PolarHBondContact O-N 3.49Å; T366-E368 PolarHBondContact OG1-N 3.48Å; T366-E369 PolarHBondContact N-OE2 3.16Å; T366-E369 PolarHBondContact O-N 3.24Å; T366-E369 WeakPolarHBondContact OG1-CG 3.43Å; T366-E369 PolarHBondContact OG1-N 2.79Å; T366-E369 VanDerWaalsContact OG1-N 3.08Å; T366-V370 VanDerWaalsContact O-CG2 3.27Å; T366-V370 WeakPolarHBondContact O-CG2 3.32Å; T366-V370 PolarHBondContact O-N 3.33Å
367	T	89.8	Confident	91.4	Very high	110 Å²	110	77.5 Å²	77.5	68%	0.675	41%	0.414	S	S	*	.	H	α-helix	trans	-58.8	-35.4	172.5	40.1	0	0	0	0	112.3	N371	T367-N371 WeakPolarHBondContact O-CB 3.4Å; T367-N371 PolarHBondContact O-N 3.43Å; T367-N371 PolarHBondContact O-ND2 2.93Å
368	E	92.6	Very high	91.1	Very high	149 Å²	149	76.5 Å²	76.5	70%	0.696	40%	0.402	S	S	*	.	H	α-helix	trans	-67.4	-48.3	176.4	-64.4	162.8	-176.7	0	0	111.4	T366 V370 N371 A372	T366-E368 PolarHBondContact O-N 3.49Å; T366-E368 PolarHBondContact OG1-N 3.48Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 PolarHBondContact O-N 2.96Å; E368-N371 PolarHBondContact O-N 2.95Å; E368-N371 VanDerWaalsContact O-N 3.16Å; E368-A372 WeakPolarHBondContact O-CB 3.45Å; E368-A372 PolarHBondContact O-N 3.09Å
369	E	92.9	Very high	90.9	Very high	98 Å²	98	74.4 Å²	74.4	46%	0.458	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-36.9	175.6	-70.3	178.9	130.6	0	0	112.4	M365 T366 Y373	M365-E369 WeakPolarHBondContact CA-OE2 3.34Å; M365-E369 HydrophobicContact CB-CB 4.42Å; M365-E369 HydrophobicContact CE-CB 4.01Å; T366-E369 PolarHBondContact N-OE2 3.16Å; T366-E369 PolarHBondContact O-N 3.24Å; T366-E369 WeakPolarHBondContact OG1-CG 3.43Å; T366-E369 PolarHBondContact OG1-N 2.79Å; T366-E369 VanDerWaalsContact OG1-N 3.08Å; E369-Y373 VanDerWaalsContact O-CB 3.27Å; E369-Y373 WeakPolarHBondContact O-CB 3.46Å; E369-Y373 PolarHBondContact O-N 2.8Å
370	V	92.9	Very high	91	Very high	7 Å²	7	73.2 Å²	73.2	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-65.2	-43.7	174	169.6	0	0	0	0	110.9	M365 T366 E368 Y373 R374 K389	M365-V370 HydrophobicContact CB-CG2 4.02Å; M365-V370 HydrophobicContact CE-CG2 4.01Å; T366-V370 VanDerWaalsContact O-CG2 3.27Å; T366-V370 WeakPolarHBondContact O-CG2 3.32Å; T366-V370 PolarHBondContact O-N 3.33Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 PolarHBondContact O-N 2.96Å; V370-Y373 PolarHBondContact O-N 3.16Å; V370-R374 WeakPolarHBondContact O-CB 3.22Å; V370-R374 WeakPolarHBondContact O-CG 3.47Å; V370-R374 PolarHBondContact O-N 2.7Å; V370-K389 HydrophobicContact CG2-CB 4.27Å; V370-K389 HydrophobicContact CG2-CD 3.63Å; V370-K389 HydrophobicContact CG2-CG 3.9Å
371	N	91.8	Very high	91.1	Very high	90 Å²	90	72.8 Å²	72.8	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-71.8	-37.3	-179.2	-70.8	-17.2	0	0	0	111.9	T367 E368 R374 L375	T367-N371 WeakPolarHBondContact O-CB 3.4Å; T367-N371 PolarHBondContact O-N 3.43Å; T367-N371 PolarHBondContact O-ND2 2.93Å; E368-N371 PolarHBondContact O-N 2.95Å; E368-N371 VanDerWaalsContact O-N 3.16Å; N371-R374 PolarHBondContact O-N 2.92Å; N371-R374 PolarHBondContact OD1-NH1 3.29Å; N371-L375 PolarHBondContact O-N 3.42Å
372	A	93.1	Very high	91.2	Very high	61 Å²	61	68.4 Å²	68.4	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-43	170.1	0	0	0	0	0	111.6	E368 L375 E376	E368-A372 WeakPolarHBondContact O-CB 3.45Å; E368-A372 PolarHBondContact O-N 3.09Å; A372-L375 WeakPolarHBondContact O-CB 3.48Å; A372-L375 PolarHBondContact O-N 3.22Å; A372-E376 PolarHBondContact O-N 2.91Å
373	Y	93.6	Very high	91.3	Very high	26 Å²	26	72.3 Å²	72.3	10%	0.102	38%	0.382	C	S	.	.	H	α-helix	trans	-70.4	-32.3	177.2	-174	-131.1	0	0	0	112.9	M365 E369 V370 L375 E376 L377 P390 R392	M365-Y373 HydrophobicContact CE-CD1 4.49Å; E369-Y373 VanDerWaalsContact O-CB 3.27Å; E369-Y373 WeakPolarHBondContact O-CB 3.46Å; E369-Y373 PolarHBondContact O-N 2.8Å; V370-Y373 PolarHBondContact O-N 3.16Å; Y373-L375 VanDerWaalsContact C-N 3.34Å; Y373-E376 HydrophobicContact CD2-CB 4.44Å; Y373-E376 WeakPolarHBondContact CD2-OE2 3.34Å; Y373-E376 PolarHBondContact O-N 3.37Å; Y373-L377 HydrophobicContact CD1-CD1 4.17Å; Y373-L377 HydrophobicContact CD2-CD1 4.43Å; Y373-L377 HydrophobicContact CD2-CG 4.33Å; Y373-L377 HydrophobicContact CE1-CD1 3.68Å; Y373-L377 HydrophobicContact CE1-CG 4.48Å; Y373-L377 HydrophobicContact CE2-CD1 3.97Å; Y373-L377 HydrophobicContact CE2-CD2 4.14Å; Y373-L377 HydrophobicContact CE2-CG 3.87Å; Y373-L377 HydrophobicContact CG-CD1 4.5Å; Y373-L377 WeakPolarHBondContact O-CG 3.49Å; Y373-L377 PolarHBondContact O-N 3.45Å; Y373-L377 VanDerWaalsContact O-N 3.11Å; Y373-P390 HydrophobicContact CD1-CG 3.94Å; Y373-P390 HydrophobicContact CE1-CG 4.28Å; Y373-R392 HydrophobicContact CD1-CG 4.29Å; Y373-R392 HydrophobicContact CE1-CG 3.46Å; Y373-R392 VanDerWaalsContact CE1-CG 3.46Å; Y373-R392 HydrophobicContact CE2-CG 4.47Å
374	R	93.7	Very high	91.3	Very high	37 Å²	37	72.2 Å²	72.2	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-37.8	168.6	-77.8	176.5	176.9	143	-1.3	112	V370 N371 L377 G379 I380 P390	V370-R374 WeakPolarHBondContact O-CB 3.22Å; V370-R374 WeakPolarHBondContact O-CG 3.47Å; V370-R374 PolarHBondContact O-N 2.7Å; N371-R374 PolarHBondContact O-N 2.92Å; N371-R374 PolarHBondContact OD1-NH1 3.29Å; R374-L377 PolarHBondContact O-N 3.3Å; R374-G379 WeakPolarHBondContact O-CA 3.37Å; R374-G379 PolarHBondContact O-N 2.92Å; R374-I380 HydrophobicContact CB-CB 4.07Å; R374-I380 HydrophobicContact CG-CB 4.13Å; R374-I380 PolarHBondContact O-N 2.89Å; R374-P390 HydrophobicContact CG-CG 4.21Å
375	L	90.5	Very high	91.2	Very high	132 Å²	132	73.2 Å²	73.2	69%	0.691	39%	0.39	S	S	*	.	H	α-helix	trans	-66.2	-43.7	175.7	-171.1	64.7	0	0	0	111.5	N371 A372 Y373 L377 G379	N371-L375 PolarHBondContact O-N 3.42Å; A372-L375 WeakPolarHBondContact O-CB 3.48Å; A372-L375 PolarHBondContact O-N 3.22Å; Y373-L375 VanDerWaalsContact C-N 3.34Å; L375-L377 VanDerWaalsContact C-N 3.3Å; L375-L377 PolarHBondContact O-N 3.3Å; L375-G379 PolarHBondContact O-N 2.71Å; L375-G379 VanDerWaalsContact O-N 3.16Å
376	E	91.5	Very high	91	Very high	146 Å²	146	75.5 Å²	75.5	68%	0.682	42%	0.418	S	S	*	.	H	α-helix	trans	-57.4	-40.3	174.1	-170.4	-169.1	158.4	0	0	112.3	A372 Y373 E378	A372-E376 PolarHBondContact O-N 2.91Å; Y373-E376 HydrophobicContact CD2-CB 4.44Å; Y373-E376 WeakPolarHBondContact CD2-OE2 3.34Å; Y373-E376 PolarHBondContact O-N 3.37Å; E376-E378 PolarHBondContact O-N 3.48Å
377	L	88.1	Confident	90.9	Very high	22 Å²	22	73.7 Å²	73.7	12%	0.115	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	57.3	-179.6	-68.5	174	0	0	0	113.3	Y373 R374 L375 G379 I380 P390 P417 A420	Y373-L377 HydrophobicContact CD1-CD1 4.17Å; Y373-L377 HydrophobicContact CD2-CD1 4.43Å; Y373-L377 HydrophobicContact CD2-CG 4.33Å; Y373-L377 HydrophobicContact CE1-CD1 3.68Å; Y373-L377 HydrophobicContact CE1-CG 4.48Å; Y373-L377 HydrophobicContact CE2-CD1 3.97Å; Y373-L377 HydrophobicContact CE2-CD2 4.14Å; Y373-L377 HydrophobicContact CE2-CG 3.87Å; Y373-L377 HydrophobicContact CG-CD1 4.5Å; Y373-L377 WeakPolarHBondContact O-CG 3.49Å; Y373-L377 PolarHBondContact O-N 3.45Å; Y373-L377 VanDerWaalsContact O-N 3.11Å; R374-L377 PolarHBondContact O-N 3.3Å; L375-L377 VanDerWaalsContact C-N 3.3Å; L375-L377 PolarHBondContact O-N 3.3Å; L377-G379 PolarHBondContact O-N 2.91Å; L377-I380 HydrophobicContact CB-CD1 3.65Å; L377-I380 HydrophobicContact CB-CG1 3.81Å; L377-I380 HydrophobicContact CD1-CD1 3.84Å; L377-I380 HydrophobicContact CG-CD1 4.44Å; L377-I380 WeakPolarHBondContact O-CG1 3.43Å; L377-P390 HydrophobicContact CD1-CB 4.48Å; L377-P417 HydrophobicContact CB-CB 4Å; L377-P417 HydrophobicContact CB-CG 4.14Å; L377-P417 HydrophobicContact CD2-CG 4.14Å; L377-P417 WeakPolarHBondContact O-CB 3.35Å; L377-A420 HydrophobicContact CD1-CB 4.02Å
378	E	84	Confident	91.1	Very high	88 Å²	88	69.5 Å²	69.5	41%	0.411	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	29.7	-179.2	-55.4	-175.2	-171.3	0	0	114.3	E376 P417 K437 V603 G604	E376-E378 PolarHBondContact O-N 3.48Å; E378-P417 HydrophobicContact CB-CG 4.47Å; E378-P417 HydrophobicContact CG-CG 4.05Å; E378-K437 IonicContact OE1-NZ 2.69Å; E378-K437 PolarHBondContact OE1-NZ 3.22Å; E378-K437 VanDerWaalsContact OE2-CE 3.3Å; E378-K437 WeakPolarHBondContact OE2-CE 3.37Å; E378-K437 IonicContact OE2-NZ 2.82Å; E378-K437 PolarHBondContact OE2-NZ 3.47Å; E378-V603 HydrophobicContact CB-CG1 4.1Å; E378-G604 WeakPolarHBondContact O-CA 3.43Å; E378-G604 PolarHBondContact O-N 2.84Å; E378-G604 VanDerWaalsContact O-N 3.1Å
379	G	86.6	Confident	91.2	Very high	25 Å²	25	64.4 Å²	64.4	26%	0.258	36%	0.358	S	S	.	.			trans	66.8	62.4	178.4	0	0	0	0	0	113.8	R374 L375 L377 I381	R374-G379 WeakPolarHBondContact O-CA 3.37Å; R374-G379 PolarHBondContact O-N 2.92Å; L375-G379 PolarHBondContact O-N 2.71Å; L375-G379 VanDerWaalsContact O-N 3.16Å; L377-G379 PolarHBondContact O-N 2.91Å; G379-I381 PolarHBondContact O-N 3.44Å
380	I	92.9	Very high	91.3	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	113.5	176.1	-48.9	-170	0	0	0	110.7	R374 L377 V382 P417 Q421 V601 Q602 V603	R374-I380 HydrophobicContact CB-CB 4.07Å; R374-I380 HydrophobicContact CG-CB 4.13Å; R374-I380 PolarHBondContact O-N 2.89Å; L377-I380 HydrophobicContact CB-CD1 3.65Å; L377-I380 HydrophobicContact CB-CG1 3.81Å; L377-I380 HydrophobicContact CD1-CD1 3.84Å; L377-I380 HydrophobicContact CG-CD1 4.44Å; L377-I380 WeakPolarHBondContact O-CG1 3.43Å; I380-V382 HydrophobicContact CG2-CG2 4.03Å; I380-P417 HydrophobicContact CD1-CB 4.21Å; I380-P417 WeakPolarHBondContact CD1-O 3.4Å; I380-P417 HydrophobicContact CG1-CB 4.5Å; I380-Q421 HydrophobicContact CD1-CB 3.94Å; I380-Q421 HydrophobicContact CG2-CB 4.03Å; I380-Q421 HydrophobicContact CG2-CG 3.97Å; I380-V601 HydrophobicContact CG2-CG1 4.04Å; I380-Q602 CarbonylContact C-O 3.58Å; I380-Q602 WeakPolarHBondContact CA-O 3.44Å; I380-V603 HydrophobicContact CD1-CG2 4.46Å; I380-V603 HydrophobicContact CG1-CG2 4.15Å; I380-V603 HydrophobicContact CG2-CG2 4.32Å
381	I	92.1	Very high	91.4	Very high	87 Å²	87	59.4 Å²	59.4	45%	0.446	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.3	170.9	-60.4	172.2	0	0	0	108.5	G379 Q602	G379-I381 PolarHBondContact O-N 3.44Å; I381-Q602 HydrophobicContact CB-CB 4.34Å; I381-Q602 PolarHBondContact N-O 2.8Å; I381-Q602 PolarHBondContact O-N 3.18Å
382	V	93.1	Very high	91.4	Very high	39 Å²	39	60.4 Å²	60.4	24%	0.236	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.2	180	179.9	0	0	0	0	109.7	I380 C387 Q421 E600 V601	I380-V382 HydrophobicContact CG2-CG2 4.03Å; V382-C387 HydrophobicContact CG1-CB 3.55Å; V382-C387 VanDerWaalsContact CG1-SG 3.55Å; V382-Q421 HydrophobicContact CG2-CG 3.94Å; V382-E600 CarbonylContact C-O 3.57Å; V382-E600 WeakPolarHBondContact CA-O 3.27Å; V382-V601 HydrophobicContact CG2-CG2 4.49Å
383	K	91.8	Very high	91.4	Very high	83 Å²	83	60.6 Å²	60.6	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152	171.8	-40.9	-176.9	-153.5	144.1	0	110.9	E600	K383-E600 HydrophobicContact CB-CB 4.09Å; K383-E600 WeakPolarHBondContact CD-OE2 3.48Å; K383-E600 WeakPolarHBondContact CE-OE1 3.26Å; K383-E600 WeakPolarHBondContact CE-OE2 3.33Å; K383-E600 HydrophobicContact CG-CB 4.42Å; K383-E600 PolarHBondContact N-O 3.26Å; K383-E600 IonicContact NZ-OE1 3.48Å; K383-E600 PolarHBondContact NZ-OE1 3.46Å; K383-E600 IonicContact NZ-OE2 3.36Å; K383-E600 PolarHBondContact NZ-OE2 2.81Å; K383-E600 PolarHBondContact O-N 3.15Å
384	G	89.4	Confident	91.3	Very high	50 Å²	50	60.3 Å²	60.3	52%	0.515	33%	0.325	S	S	.	.	S	Bend	trans	97.9	148.5	-175.2	0	0	0	0	0	112.9
385	K	89.5	Confident	91.2	Very high	196 Å²	196	63.6 Å²	63.6	85%	0.852	35%	0.349	S	S	*	.	S	Bend	trans	-74.6	144	-176.8	-61.4	-176.5	-179.7	-178.1	0	111.2	R430	K385-R430 PolarHBondContact O-NH1 2.92Å; K385-R430 PolarHBondContact O-NH2 3.26Å
386	G	86.9	Confident	91.2	Very high	63 Å²	63	57.9 Å²	57.9	65%	0.649	32%	0.318	S	S	*	.			trans	70.2	46.9	171.7	0	0	0	0	0	115.4	R430	G386-R430 PolarHBondContact O-NH1 3.11Å
387	C	91.7	Very high	91	Very high	28 Å²	28	50.9 Å²	50.9	19%	0.189	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-85.9	127.4	171.5	-168.9	0	0	0	0	111.1	V382 Q421 L599	V382-C387 HydrophobicContact CG1-CB 3.55Å; V382-C387 VanDerWaalsContact CG1-SG 3.55Å; C387-Q421 PolarHBondContact SG-NE2 2.96Å; C387-L599 HydrophobicContact CB-CD1 4.06Å; C387-L599 HydrophobicContact CB-CD2 3.93Å
388	P	93.6	Very high	90.8	Very high	21 Å²	21	52.3 Å²	52.3	14%	0.136	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.4	161.3	174.2	-27.4	37.4	0	0	0	114.2	Y356 Q421 P424	Y356-P388 HydrophobicContact CD1-CB 4.29Å; Y356-P388 HydrophobicContact CD1-CG 4.47Å; Y356-P388 HydrophobicContact CE1-CB 4.04Å; P388-Q421 PolarHBondContact O-NE2 3.15Å; P388-P424 HydrophobicContact CB-CB 4.02Å
389	K	94.9	Very high	90.9	Very high	42 Å²	42	48.8 Å²	48.8	18%	0.183	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-70.4	145.9	174.9	-54.4	-174.2	-155.8	-175.4	0	110.8	E358 L362 A363 M365 V370	E358-K389 WeakPolarHBondContact OE1-CD 3.42Å; E358-K389 WeakPolarHBondContact OE1-CE 3.4Å; E358-K389 WeakPolarHBondContact OE1-CG 3.31Å; E358-K389 IonicContact OE1-NZ 2.85Å; L362-K389 WeakPolarHBondContact O-CD 3.19Å; L362-K389 WeakPolarHBondContact O-CE 3.21Å; L362-K389 PolarHBondContact O-NZ 2.88Å; A363-K389 PolarHBondContact O-NZ 2.99Å; M365-K389 HydrophobicContact CB-CD 4.42Å; M365-K389 PolarHBondContact O-NZ 2.73Å; V370-K389 HydrophobicContact CG2-CB 4.27Å; V370-K389 HydrophobicContact CG2-CD 3.63Å; V370-K389 HydrophobicContact CG2-CG 3.9Å
390	P	94.9	Very high	91	Very high	1 Å²	1	50 Å²	50	1%	0.006	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-71.5	139.5	179.7	29.3	-34.2	0	0	0	111.7	Y373 R374 L377 A420 Q421	Y373-P390 HydrophobicContact CD1-CG 3.94Å; Y373-P390 HydrophobicContact CE1-CG 4.28Å; R374-P390 HydrophobicContact CG-CG 4.21Å; L377-P390 HydrophobicContact CD1-CB 4.48Å; P390-A420 CarbonylContact C-O 3.21Å; P390-A420 VanDerWaalsContact CA-O 3.24Å; P390-A420 WeakPolarHBondContact CA-O 3.3Å; P390-A420 HydrophobicContact CB-CB 4.43Å; P390-Q421 HydrophobicContact CB-CB 4.24Å
391	I	94.9	Very high	90.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-77.2	147.1	179.8	58.5	168	0	0	0	112.2	L362 Q396 C397 P415 A420 I423 P424	L362-I391 HydrophobicContact CD1-CG2 4Å; I391-Q396 HydrophobicContact CB-CB 4.11Å; I391-Q396 HydrophobicContact CG2-CB 3.89Å; I391-C397 HydrophobicContact CD1-CB 4.47Å; I391-C397 WeakPolarHBondContact CD1-SG 3.43Å; I391-P415 HydrophobicContact CD1-CB 4.41Å; I391-P415 HydrophobicContact CD1-CG 4.31Å; I391-P415 HydrophobicContact CG1-CG 4.33Å; I391-A420 HydrophobicContact CG1-CB 4.38Å; I391-A420 WeakPolarHBondContact CG1-O 3.23Å; I391-A420 PolarHBondContact N-O 2.85Å; I391-A420 WeakPolarHBondContact O-CB 3.26Å; I391-I423 HydrophobicContact CD1-CB 4.49Å; I391-P424 HydrophobicContact CG2-CB 4.31Å; I391-P424 HydrophobicContact CG2-CG 4.21Å
392	R	92	Very high	90.8	Very high	111 Å²	111	56.6 Å²	56.6	42%	0.419	32%	0.323	S	S	.	.	S	Bend	trans	-96.6	-27.8	175.5	-70.3	178.4	167.4	179.3	-3.4	113.1	Y373	Y373-R392 HydrophobicContact CD1-CG 4.29Å; Y373-R392 HydrophobicContact CE1-CG 3.46Å; Y373-R392 VanDerWaalsContact CE1-CG 3.46Å; Y373-R392 HydrophobicContact CE2-CG 4.47Å
393	T	92.7	Very high	90.8	Very high	65 Å²	65	55 Å²	55	40%	0.399	31%	0.313	S	S	.	.	S	Bend	trans	-142.1	156.2	-178.5	72.9	0	0	0	0	113	V395 Q396	T393-V395 PolarHBondContact O-N 3.02Å; T393-V395 VanDerWaalsContact O-N 3.12Å; T393-Q396 VanDerWaalsContact N-OE1 3.07Å; T393-Q396 WeakPolarHBondContact O-CB 3.23Å; T393-Q396 PolarHBondContact O-N 3.36Å
394	W	93	Very high	90.8	Very high	19 Å²	19	52.6 Å²	52.6	7%	0.072	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.7	-23.5	-180	-66.2	118.7	0	0	0	115.3	Q396 C397 L404 L407 Y412 K414 P415 Q419 I423 I444 L448	W394-Q396 VanDerWaalsContact C-N 3.27Å; W394-Q396 PolarHBondContact O-N 2.8Å; W394-C397 WeakPolarHBondContact O-CB 3.45Å; W394-C397 PolarHBondContact O-N 2.84Å; W394-C397 PolarHBondContact O-SG 2.96Å; W394-L404 HydrophobicContact CB-CD2 4.06Å; W394-L404 WeakPolarHBondContact O-CD2 3.46Å; W394-L407 HydrophobicContact CB-CD1 4.22Å; W394-L407 HydrophobicContact CD2-CD1 3.82Å; W394-L407 HydrophobicContact CE3-CD1 3.79Å; W394-L407 HydrophobicContact CG-CD1 4.05Å; W394-L407 HydrophobicContact CH2-CD2 4.38Å; W394-L407 HydrophobicContact CZ2-CD2 4.37Å; W394-L407 HydrophobicContact CZ3-CD1 4.39Å; W394-L407 HydrophobicContact CZ3-CD2 4.5Å; W394-Y412 PolarHBondContact NE1-O 2.83Å; W394-K414 WeakPolarHBondContact CZ2-O 3.35Å; W394-K414 VanDerWaalsContact NE1-C 3.31Å; W394-P415 HydrophobicContact CE3-CB 4.41Å; W394-P415 HydrophobicContact CH2-CB 4.08Å; W394-P415 HydrophobicContact CZ2-CB 4.22Å; W394-P415 HydrophobicContact CZ3-CB 4.17Å; W394-Q419 VanDerWaalsContact CH2-OE1 3.23Å; W394-I423 HydrophobicContact CZ3-CD1 3.8Å; W394-I444 HydrophobicContact CH2-CG2 4.06Å; W394-I444 HydrophobicContact CZ3-CG2 4.46Å; W394-L448 HydrophobicContact CE3-CD1 4.09Å; W394-L448 HydrophobicContact CH2-CD1 4.2Å; W394-L448 HydrophobicContact CZ3-CD1 3.45Å; W394-L448 VanDerWaalsContact CZ3-CD1 3.45Å
395	V	90.6	Very high	91	Very high	107 Å²	107	54.8 Å²	54.8	65%	0.648	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69	-31.8	177.9	-175.3	0	0	0	0	110.7	T393 C397	T393-V395 PolarHBondContact O-N 3.02Å; T393-V395 VanDerWaalsContact O-N 3.12Å; V395-C397 PolarHBondContact O-N 3.05Å
396	Q	91.1	Very high	91.1	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.051	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-76.3	-1.7	-179.1	-56.7	170.3	-28.9	0	0	112.9	V359 E361 L362 I391 T393 W394 G398	V359-Q396 HydrophobicContact CG1-CB 4.41Å; V359-Q396 HydrophobicContact CG1-CG 4.32Å; V359-Q396 HydrophobicContact CG2-CB 4.24Å; V359-Q396 HydrophobicContact CG2-CG 3.81Å; E361-Q396 PolarHBondContact OE2-NE2 3.25Å; L362-Q396 HydrophobicContact CD1-CB 4.36Å; I391-Q396 HydrophobicContact CB-CB 4.11Å; I391-Q396 HydrophobicContact CG2-CB 3.89Å; T393-Q396 VanDerWaalsContact N-OE1 3.07Å; T393-Q396 WeakPolarHBondContact O-CB 3.23Å; T393-Q396 PolarHBondContact O-N 3.36Å; W394-Q396 VanDerWaalsContact C-N 3.27Å; W394-Q396 PolarHBondContact O-N 2.8Å; Q396-G398 VanDerWaalsContact C-N 3.32Å
397	C	86.9	Confident	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-73.6	-16.2	174.5	-58.1	0	0	0	0	114.5	I391 W394 V395 V399 I423 M427	I391-C397 HydrophobicContact CD1-CB 4.47Å; I391-C397 WeakPolarHBondContact CD1-SG 3.43Å; W394-C397 WeakPolarHBondContact O-CB 3.45Å; W394-C397 PolarHBondContact O-N 2.84Å; W394-C397 PolarHBondContact O-SG 2.96Å; V395-C397 PolarHBondContact O-N 3.05Å; C397-V399 VanDerWaalsContact C-N 3.29Å; C397-V399 HydrophobicContact CB-CB 4.44Å; C397-V399 HydrophobicContact CB-CG1 3.83Å; C397-V399 HydrophobicContact CB-CG2 4.05Å; C397-V399 PolarHBondContact O-N 3.49Å; C397-I423 HydrophobicContact CB-CG2 4.07Å; C397-M427 WeakPolarHBondContact O-CE 3.28Å
398	G	83.8	Confident	91.4	Very high	51 Å²	51	49.7 Å²	49.7	53%	0.526	26%	0.262	S	S	.	.			trans	70.6	18.7	-170.4	0	0	0	0	0	114.9	Q396	Q396-G398 VanDerWaalsContact C-N 3.32Å
399	V	86.7	Confident	91.4	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.091	29%	0.29	C	S	.	.			trans	-86.3	153.2	-179.4	-63	0	0	0	0	112.9	C397 I403 L404 M427	C397-V399 VanDerWaalsContact C-N 3.29Å; C397-V399 HydrophobicContact CB-CB 4.44Å; C397-V399 HydrophobicContact CB-CG1 3.83Å; C397-V399 HydrophobicContact CB-CG2 4.05Å; C397-V399 PolarHBondContact O-N 3.49Å; V399-I403 HydrophobicContact CB-CB 4.15Å; V399-I403 HydrophobicContact CB-CD1 4.19Å; V399-I403 HydrophobicContact CB-CG2 3.95Å; V399-I403 HydrophobicContact CG1-CG2 4.41Å; V399-I403 HydrophobicContact CG2-CB 4.27Å; V399-I403 HydrophobicContact CG2-CG2 3.9Å; V399-L404 HydrophobicContact CG2-CD2 3.59Å; V399-L404 HydrophobicContact CG2-CG 3.99Å; V399-M427 HydrophobicContact CG1-CE 3.54Å
400	S	88.3	Confident	91.1	Very high	50 Å²	50	57.9 Å²	57.9	35%	0.35	30%	0.296	S	S	.	.			trans	-66.9	155.3	-177	74.8	0	0	0	0	113.5	K402 I403 L404	S400-K402 PolarHBondContact O-N 3.39Å; S400-K402 VanDerWaalsContact O-N 3.11Å; S400-I403 WeakPolarHBondContact O-CA 3.49Å; S400-I403 WeakPolarHBondContact O-CB 3.49Å; S400-I403 PolarHBondContact O-N 2.96Å; S400-L404 PolarHBondContact O-N 2.98Å
401	M	89.8	Confident	90.9	Very high	129 Å²	129	61.6 Å²	61.6	64%	0.635	33%	0.327	S	S	*	.	H	α-helix	trans	-58.9	-26	178.1	-166.9	61.4	70.3	0	0	113.2	I403 L404 N405	M401-I403 VanDerWaalsContact C-N 3.35Å; M401-L404 HydrophobicContact CE-CD1 4.42Å; M401-L404 HydrophobicContact SD-CB 4.36Å; M401-L404 HydrophobicContact SD-CD1 4.16Å; M401-N405 WeakPolarHBondContact O-CB 3.23Å; M401-N405 PolarHBondContact O-N 3.43Å; M401-N405 PolarHBondContact O-ND2 2.7Å
402	K	92.1	Very high	90.6	Very high	108 Å²	108	64.6 Å²	64.6	47%	0.47	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-41.5	170.7	-71.1	-179.6	165.9	-162.5	0	111.9	S400 S406 P491 L492	S400-K402 PolarHBondContact O-N 3.39Å; S400-K402 VanDerWaalsContact O-N 3.11Å; K402-S406 PolarHBondContact O-N 3.45Å; K402-S406 PolarHBondContact O-OG 3Å; K402-P491 WeakPolarHBondContact CD-O 3.3Å; K402-P491 WeakPolarHBondContact CE-O 3.36Å; K402-P491 PolarHBondContact NZ-O 3.04Å; K402-L492 HydrophobicContact CB-CD2 4.16Å; K402-L492 HydrophobicContact CD-CD2 3.95Å
403	I	92.1	Very high	90.5	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-72.9	-45.7	178.9	-64.5	171.8	0	0	0	110.1	V399 S400 M401 N405 S406 L407 L448 F451 L492	V399-I403 HydrophobicContact CB-CB 4.15Å; V399-I403 HydrophobicContact CB-CD1 4.19Å; V399-I403 HydrophobicContact CB-CG2 3.95Å; V399-I403 HydrophobicContact CG1-CG2 4.41Å; V399-I403 HydrophobicContact CG2-CB 4.27Å; V399-I403 HydrophobicContact CG2-CG2 3.9Å; S400-I403 WeakPolarHBondContact O-CA 3.49Å; S400-I403 WeakPolarHBondContact O-CB 3.49Å; S400-I403 PolarHBondContact O-N 2.96Å; M401-I403 VanDerWaalsContact C-N 3.35Å; I403-N405 VanDerWaalsContact C-N 3.34Å; I403-N405 PolarHBondContact O-N 3.47Å; I403-S406 CarbonylContact O-C 3.54Å; I403-S406 WeakPolarHBondContact O-CA 3.34Å; I403-S406 WeakPolarHBondContact O-CB 3.38Å; I403-S406 PolarHBondContact O-N 3.4Å; I403-L407 HydrophobicContact CG2-CD1 4.26Å; I403-L407 PolarHBondContact O-N 2.91Å; I403-L448 HydrophobicContact CG2-CD2 3.49Å; I403-L448 VanDerWaalsContact CG2-CD2 3.49Å; I403-F451 HydrophobicContact CD1-CB 3.95Å; I403-L492 HydrophobicContact CD1-CD1 4.23Å; I403-L492 HydrophobicContact CD1-CD2 4.46Å; I403-L492 HydrophobicContact CG1-CD1 4.26Å; I403-L492 HydrophobicContact CG1-CD2 4.21Å
404	L	92.3	Very high	90.4	Very high	34 Å²	34	72.3 Å²	72.3	18%	0.178	37%	0.373	C	S	.	.	H	α-helix	trans	-57.6	-43.6	175.7	-64.2	177.6	0	0	0	112.5	W394 V399 S400 M401 S406 L407 K408	W394-L404 HydrophobicContact CB-CD2 4.06Å; W394-L404 WeakPolarHBondContact O-CD2 3.46Å; V399-L404 HydrophobicContact CG2-CD2 3.59Å; V399-L404 HydrophobicContact CG2-CG 3.99Å; S400-L404 PolarHBondContact O-N 2.98Å; M401-L404 HydrophobicContact CE-CD1 4.42Å; M401-L404 HydrophobicContact SD-CB 4.36Å; M401-L404 HydrophobicContact SD-CD1 4.16Å; L404-S406 VanDerWaalsContact C-N 3.27Å; L404-S406 PolarHBondContact O-N 3.22Å; L404-L407 HydrophobicContact CD2-CD1 4.46Å; L404-L407 PolarHBondContact O-N 3.18Å; L404-K408 WeakPolarHBondContact O-CB 3.4Å; L404-K408 PolarHBondContact O-N 3.01Å
405	N	92.9	Very high	90.4	Very high	95 Å²	95	72.1 Å²	72.1	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-31.5	174.3	-78.3	-40.8	0	0	0	112.7	M401 I403 K409	M401-N405 WeakPolarHBondContact O-CB 3.23Å; M401-N405 PolarHBondContact O-N 3.43Å; M401-N405 PolarHBondContact O-ND2 2.7Å; I403-N405 VanDerWaalsContact C-N 3.34Å; I403-N405 PolarHBondContact O-N 3.47Å; N405-K409 WeakPolarHBondContact O-CB 3.32Å; N405-K409 PolarHBondContact O-N 3.37Å
406	S	92.4	Very high	90.5	Very high	8 Å²	8	69.1 Å²	69.1	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-73	-42.2	175.9	-57.3	0	0	0	0	111.8	K402 I403 L404 K409 H410	K402-S406 PolarHBondContact O-N 3.45Å; K402-S406 PolarHBondContact O-OG 3Å; I403-S406 CarbonylContact O-C 3.54Å; I403-S406 WeakPolarHBondContact O-CA 3.34Å; I403-S406 WeakPolarHBondContact O-CB 3.38Å; I403-S406 PolarHBondContact O-N 3.4Å; L404-S406 VanDerWaalsContact C-N 3.27Å; L404-S406 PolarHBondContact O-N 3.22Å; S406-K409 PolarHBondContact O-N 2.94Å; S406-H410 PolarHBondContact O-CD2 3.32Å; S406-H410 PolarHBondContact O-N 3.06Å
407	L	92.9	Very high	90.7	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-57.1	-49.8	172.1	-72.5	168.1	0	0	0	110.9	W394 I403 L404 K409 H410 A411 Y412 L448 F488	W394-L407 HydrophobicContact CB-CD1 4.22Å; W394-L407 HydrophobicContact CD2-CD1 3.82Å; W394-L407 HydrophobicContact CE3-CD1 3.79Å; W394-L407 HydrophobicContact CG-CD1 4.05Å; W394-L407 HydrophobicContact CH2-CD2 4.38Å; W394-L407 HydrophobicContact CZ2-CD2 4.37Å; W394-L407 HydrophobicContact CZ3-CD1 4.39Å; W394-L407 HydrophobicContact CZ3-CD2 4.5Å; I403-L407 HydrophobicContact CG2-CD1 4.26Å; I403-L407 PolarHBondContact O-N 2.91Å; L404-L407 HydrophobicContact CD2-CD1 4.46Å; L404-L407 PolarHBondContact O-N 3.18Å; L407-K409 PolarHBondContact O-N 3.48Å; L407-H410 CarbonylContact O-C 3.56Å; L407-H410 PolarHBondContact O-N 2.85Å; L407-H410 VanDerWaalsContact O-N 3.17Å; L407-A411 PolarHBondContact O-N 2.98Å; L407-A411 VanDerWaalsContact O-N 3.13Å; L407-Y412 HydrophobicContact CD2-CD2 3.84Å; L407-Y412 HydrophobicContact CD2-CG 3.95Å; L407-Y412 PolarHBondContact O-N 2.85Å; L407-L448 HydrophobicContact CD1-CD1 4.33Å; L407-L448 HydrophobicContact CD2-CD1 4.3Å; L407-L448 HydrophobicContact CD2-CD2 4.45Å; L407-F488 HydrophobicContact CD2-CE1 3.8Å; L407-F488 HydrophobicContact CD2-CZ 3.99Å; L407-F488 HydrophobicContact CG-CE1 3.99Å
408	K	92.3	Very high	91	Very high	171 Å²	171	69.8 Å²	69.8	74%	0.743	36%	0.361	S	S	*	.	H	α-helix	trans	-62	-41.2	176.8	-172.1	171.3	-176.6	171.8	0	112.9	L404 H410 A411	L404-K408 WeakPolarHBondContact O-CB 3.4Å; L404-K408 PolarHBondContact O-N 3.01Å; K408-H410 VanDerWaalsContact C-N 3.25Å; K408-H410 PolarHBondContact O-N 3.11Å; K408-A411 PolarHBondContact O-N 2.95Å
409	K	93.1	Very high	91.6	Very high	167 Å²	167	67.5 Å²	67.5	73%	0.726	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-30.4	175.6	179.1	-176.5	175.7	-171.6	0	112.8	N405 S406 L407	N405-K409 WeakPolarHBondContact O-CB 3.32Å; N405-K409 PolarHBondContact O-N 3.37Å; S406-K409 PolarHBondContact O-N 2.94Å; L407-K409 PolarHBondContact O-N 3.48Å
410	H	88.9	Confident	92	Very high	68 Å²	68	66.9 Å²	66.9	32%	0.315	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.2	177.8	-69.7	-60.8	0	0	0	113.8	S406 L407 K408 Y412	S406-H410 PolarHBondContact O-CD2 3.32Å; S406-H410 PolarHBondContact O-N 3.06Å; L407-H410 CarbonylContact O-C 3.56Å; L407-H410 PolarHBondContact O-N 2.85Å; L407-H410 VanDerWaalsContact O-N 3.17Å; K408-H410 VanDerWaalsContact C-N 3.25Å; K408-H410 PolarHBondContact O-N 3.11Å; H410-Y412 VanDerWaalsContact C-N 3.31Å; H410-Y412 HydrophobicContact CB-CD2 3.72Å; H410-Y412 HydrophobicContact CB-CE2 3.57Å; H410-Y412 PolarHBondContact O-N 3.07Å
411	A	90	Very high	92.4	Very high	78 Å²	78	64.5 Å²	64.5	65%	0.645	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	30.6	176.4	0	0	0	0	0	115.4	L407 K408 E413	L407-A411 PolarHBondContact O-N 2.98Å; L407-A411 VanDerWaalsContact O-N 3.13Å; K408-A411 PolarHBondContact O-N 2.95Å; A411-E413 PolarHBondContact O-N 3.34Å; A411-E413 VanDerWaalsContact O-N 3.17Å
412	Y	89.6	Confident	92.7	Very high	63 Å²	63	58.3 Å²	58.3	25%	0.247	29%	0.286	C	S	.	.			trans	-77.7	94.7	168.3	-66.9	-80.3	0	0	0	109.9	W394 L407 H410 I444 E484 F488	W394-Y412 PolarHBondContact NE1-O 2.83Å; L407-Y412 HydrophobicContact CD2-CD2 3.84Å; L407-Y412 HydrophobicContact CD2-CG 3.95Å; L407-Y412 PolarHBondContact O-N 2.85Å; H410-Y412 VanDerWaalsContact C-N 3.31Å; H410-Y412 HydrophobicContact CB-CD2 3.72Å; H410-Y412 HydrophobicContact CB-CE2 3.57Å; H410-Y412 PolarHBondContact O-N 3.07Å; Y412-I444 HydrophobicContact CE1-CG1 4.25Å; Y412-E484 PolarHBondContact OH-OE1 3.19Å; Y412-F488 HydrophobicContact CD2-CZ 4.43Å; Y412-F488 AromaticContact CE2-CZ 4Å; Y412-F488 HydrophobicContact CE2-CZ 4Å
413	E	88.8	Confident	92.9	Very high	177 Å²	177	53.2 Å²	53.2	83%	0.827	26%	0.263	S	S	*	.			trans	-74	-45.4	-175.2	-59.8	-167.2	162.7	0	0	113.5	A411	A411-E413 PolarHBondContact O-N 3.34Å; A411-E413 VanDerWaalsContact O-N 3.17Å
414	K	91.1	Very high	93.1	Very high	162 Å²	162	53 Å²	53	70%	0.704	26%	0.262	S	S	*	.	S	Bend	trans	-139.4	156.2	-178.9	-66.9	-176.7	-178.9	-179.9	0	110.5	W394	W394-K414 WeakPolarHBondContact CZ2-O 3.35Å; W394-K414 VanDerWaalsContact NE1-C 3.31Å
415	P	93.6	Very high	93.2	Very high	15 Å²	15	51.4 Å²	51.4	10%	0.097	25%	0.254	C	S	.	.			trans	-66.7	145.6	168.3	29.1	-34.5	0	0	0	111.1	I391 W394 Q419 A420	I391-P415 HydrophobicContact CD1-CB 4.41Å; I391-P415 HydrophobicContact CD1-CG 4.31Å; I391-P415 HydrophobicContact CG1-CG 4.33Å; W394-P415 HydrophobicContact CE3-CB 4.41Å; W394-P415 HydrophobicContact CH2-CB 4.08Å; W394-P415 HydrophobicContact CZ2-CB 4.22Å; W394-P415 HydrophobicContact CZ3-CB 4.17Å; P415-Q419 HydrophobicContact CB-CB 3.95Å; P415-A420 HydrophobicContact CB-CB 4.47Å; P415-A420 HydrophobicContact CG-CB 4.49Å
416	T	92.8	Very high	93.4	Very high	44 Å²	44	46.9 Å²	46.9	27%	0.27	23%	0.23	S	C	.	.			trans	-74.2	162.9	167.3	66.8	0	0	0	0	110.8	I418 Q419 A420 S440	T416-I418 VanDerWaalsContact C-N 3.34Å; T416-I418 PolarHBondContact O-N 2.65Å; T416-Q419 CarbonylContact O-C 3.56Å; T416-Q419 WeakPolarHBondContact O-CA 3.49Å; T416-Q419 WeakPolarHBondContact O-CB 3.49Å; T416-Q419 PolarHBondContact O-N 3.47Å; T416-Q419 VanDerWaalsContact OG1-CG 3.3Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.44Å; T416-Q419 PolarHBondContact OG1-OE1 3.4Å; T416-A420 WeakPolarHBondContact O-CB 3.41Å; T416-A420 PolarHBondContact O-N 3.16Å; T416-S440 WeakPolarHBondContact CB-O 3.06Å; T416-S440 WeakPolarHBondContact CG2-O 3.15Å; T416-S440 PolarHBondContact OG1-O 3.1Å
417	P	93.7	Very high	93.6	Very high	23 Å²	23	46.6 Å²	46.6	15%	0.149	23%	0.228	C	C	.	.	H	α-helix	trans	-47.7	-47.4	177.9	-35.3	39.7	0	0	0	115.4	L377 E378 I380 Q419 A420 Q421 V603	L377-P417 HydrophobicContact CB-CB 4Å; L377-P417 HydrophobicContact CB-CG 4.14Å; L377-P417 HydrophobicContact CD2-CG 4.14Å; L377-P417 WeakPolarHBondContact O-CB 3.35Å; E378-P417 HydrophobicContact CB-CG 4.47Å; E378-P417 HydrophobicContact CG-CG 4.05Å; I380-P417 HydrophobicContact CD1-CB 4.21Å; I380-P417 WeakPolarHBondContact CD1-O 3.4Å; I380-P417 HydrophobicContact CG1-CB 4.5Å; P417-Q419 PolarHBondContact O-N 2.86Å; P417-A420 WeakPolarHBondContact O-CB 3.39Å; P417-A420 PolarHBondContact O-N 3.34Å; P417-Q421 PolarHBondContact O-N 3.12Å; P417-V603 HydrophobicContact CB-CG1 3.68Å; P417-V603 HydrophobicContact CB-CG2 4.46Å
418	I	94.3	Very high	93.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-38.2	178.2	-173.6	60.5	0	0	0	111.8	T416 A420 A422 A436 S440 K442 F579 V601 V603	T416-I418 VanDerWaalsContact C-N 3.34Å; T416-I418 PolarHBondContact O-N 2.65Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A422 HydrophobicContact CD1-CB 4.34Å; I418-A422 WeakPolarHBondContact O-CB 3.42Å; I418-A422 PolarHBondContact O-N 3.32Å; I418-A436 HydrophobicContact CB-CB 3.82Å; I418-A436 HydrophobicContact CD1-CB 4.13Å; I418-A436 HydrophobicContact CG1-CB 3.82Å; I418-A436 HydrophobicContact CG2-CB 4.18Å; I418-S440 VanDerWaalsContact CG2-O 3.25Å; I418-S440 WeakPolarHBondContact CG2-O 3.35Å; I418-K442 HydrophobicContact CG1-CG 4.42Å; I418-K442 HydrophobicContact CG2-CG 4.4Å; I418-F579 HydrophobicContact CD1-CE1 4.1Å; I418-F579 HydrophobicContact CG1-CE1 3.83Å; I418-V601 HydrophobicContact CD1-CG1 3.97Å; I418-V603 HydrophobicContact CB-CG2 3.93Å; I418-V603 HydrophobicContact CD1-CG2 3.89Å; I418-V603 HydrophobicContact CG1-CG2 4.49Å
419	Q	95.6	Very high	93.7	Very high	4 Å²	4	40 Å²	40	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-39.3	174.2	-68	162.2	1.6	0	0	111.3	W394 P415 T416 P417 Q421 I423 G441 A445	W394-Q419 VanDerWaalsContact CH2-OE1 3.23Å; P415-Q419 HydrophobicContact CB-CB 3.95Å; T416-Q419 CarbonylContact O-C 3.56Å; T416-Q419 WeakPolarHBondContact O-CA 3.49Å; T416-Q419 WeakPolarHBondContact O-CB 3.49Å; T416-Q419 PolarHBondContact O-N 3.47Å; T416-Q419 VanDerWaalsContact OG1-CG 3.3Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.44Å; T416-Q419 PolarHBondContact OG1-OE1 3.4Å; P417-Q419 PolarHBondContact O-N 2.86Å; Q419-Q421 PolarHBondContact O-N 3.18Å; Q419-I423 HydrophobicContact CB-CD1 3.86Å; Q419-I423 HydrophobicContact CB-CG1 4.48Å; Q419-I423 HydrophobicContact CG-CD1 4.43Å; Q419-I423 VanDerWaalsContact O-CB 3.26Å; Q419-I423 WeakPolarHBondContact O-CB 3.35Å; Q419-I423 WeakPolarHBondContact O-CD1 3.38Å; Q419-I423 VanDerWaalsContact O-CG1 3.24Å; Q419-I423 WeakPolarHBondContact O-CG1 3.31Å; Q419-I423 PolarHBondContact O-N 3.25Å; Q419-I423 VanDerWaalsContact O-N 3.07Å; Q419-G441 PolarHBondContact NE2-O 3.02Å; Q419-A445 HydrophobicContact CG-CB 3.93Å
420	A	95.6	Very high	93.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-41	-177.8	0	0	0	0	0	112.7	L377 P390 I391 P415 T416 P417 I418 P424	L377-A420 HydrophobicContact CD1-CB 4.02Å; P390-A420 CarbonylContact C-O 3.21Å; P390-A420 VanDerWaalsContact CA-O 3.24Å; P390-A420 WeakPolarHBondContact CA-O 3.3Å; P390-A420 HydrophobicContact CB-CB 4.43Å; I391-A420 HydrophobicContact CG1-CB 4.38Å; I391-A420 WeakPolarHBondContact CG1-O 3.23Å; I391-A420 PolarHBondContact N-O 2.85Å; I391-A420 WeakPolarHBondContact O-CB 3.26Å; P415-A420 HydrophobicContact CB-CB 4.47Å; P415-A420 HydrophobicContact CG-CB 4.49Å; T416-A420 WeakPolarHBondContact O-CB 3.41Å; T416-A420 PolarHBondContact O-N 3.16Å; P417-A420 WeakPolarHBondContact O-CB 3.39Å; P417-A420 PolarHBondContact O-N 3.34Å; I418-A420 VanDerWaalsContact C-N 3.34Å; A420-P424 VanDerWaalsContact O-CD 3.27Å; A420-P424 WeakPolarHBondContact O-CD 3.45Å; A420-P424 WeakPolarHBondContact O-CG 3.32Å
421	Q	95.9	Very high	94.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-92.8	-33.6	178	-174.1	60.9	95.9	0	0	113.6	I380 V382 C387 P388 P390 P417 Q419 A425 V601	I380-Q421 HydrophobicContact CD1-CB 3.94Å; I380-Q421 HydrophobicContact CG2-CB 4.03Å; I380-Q421 HydrophobicContact CG2-CG 3.97Å; V382-Q421 HydrophobicContact CG2-CG 3.94Å; C387-Q421 PolarHBondContact SG-NE2 2.96Å; P388-Q421 PolarHBondContact O-NE2 3.15Å; P390-Q421 HydrophobicContact CB-CB 4.24Å; P417-Q421 PolarHBondContact O-N 3.12Å; Q419-Q421 PolarHBondContact O-N 3.18Å; Q421-A425 WeakPolarHBondContact O-CB 3.24Å; Q421-V601 HydrophobicContact CB-CG1 3.85Å; Q421-V601 HydrophobicContact CG-CB 4.44Å; Q421-V601 HydrophobicContact CG-CG1 3.61Å; Q421-V601 HydrophobicContact CG-CG2 3.88Å
422	A	96.6	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-76.8	-40.6	-176.9	0	0	0	0	0	113.8	I418 A425 I426 L432 A445 F579	I418-A422 HydrophobicContact CD1-CB 4.34Å; I418-A422 WeakPolarHBondContact O-CB 3.42Å; I418-A422 PolarHBondContact O-N 3.32Å; A422-A425 PolarHBondContact O-N 3.15Å; A422-I426 HydrophobicContact CB-CD1 4.39Å; A422-I426 VanDerWaalsContact O-CG1 3.29Å; A422-I426 WeakPolarHBondContact O-CG1 3.13Å; A422-I426 PolarHBondContact O-N 3.07Å; A422-L432 HydrophobicContact CB-CD2 3.62Å; A422-A445 HydrophobicContact CB-CB 4.24Å; A422-F579 HydrophobicContact CB-CE1 4.47Å; A422-F579 HydrophobicContact CB-CZ 3.99Å
423	I	96.4	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-51.6	-178.5	-68	170.9	0	0	0	112.2	I391 W394 C397 Q419 A425 I426 M427 A445 L448 P449	I391-I423 HydrophobicContact CD1-CB 4.49Å; W394-I423 HydrophobicContact CZ3-CD1 3.8Å; C397-I423 HydrophobicContact CB-CG2 4.07Å; Q419-I423 HydrophobicContact CB-CD1 3.86Å; Q419-I423 HydrophobicContact CB-CG1 4.48Å; Q419-I423 HydrophobicContact CG-CD1 4.43Å; Q419-I423 VanDerWaalsContact O-CB 3.26Å; Q419-I423 WeakPolarHBondContact O-CB 3.35Å; Q419-I423 WeakPolarHBondContact O-CD1 3.38Å; Q419-I423 VanDerWaalsContact O-CG1 3.24Å; Q419-I423 WeakPolarHBondContact O-CG1 3.31Å; Q419-I423 PolarHBondContact O-N 3.25Å; Q419-I423 VanDerWaalsContact O-N 3.07Å; I423-A425 VanDerWaalsContact C-N 3.32Å; I423-A425 PolarHBondContact O-N 3.07Å; I423-I426 PolarHBondContact O-N 2.88Å; I423-M427 HydrophobicContact CG2-CG 4.2Å; I423-M427 WeakPolarHBondContact O-CB 3.22Å; I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 3.3Å; I423-A445 HydrophobicContact CG1-CB 4.46Å; I423-L448 HydrophobicContact CD1-CD1 3.92Å; I423-P449 HydrophobicContact CG2-CG 4.36Å
424	P	95.6	Very high	95	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-32.4	179.1	28.5	-36.6	0	0	0	112.6	Y356 P388 I391 A420 M427 S428	Y356-P424 HydrophobicContact CD2-CB 3.96Å; Y356-P424 HydrophobicContact CE1-CB 4.1Å; Y356-P424 HydrophobicContact CE2-CB 3.52Å; Y356-P424 HydrophobicContact CG-CB 4.45Å; P388-P424 HydrophobicContact CB-CB 4.02Å; I391-P424 HydrophobicContact CG2-CB 4.31Å; I391-P424 HydrophobicContact CG2-CG 4.21Å; A420-P424 VanDerWaalsContact O-CD 3.27Å; A420-P424 WeakPolarHBondContact O-CD 3.45Å; A420-P424 WeakPolarHBondContact O-CG 3.32Å; P424-M427 PolarHBondContact O-N 3.15Å; P424-S428 PolarHBondContact O-N 3.33Å
425	A	95.9	Very high	95	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-38.1	176.2	0	0	0	0	0	113.2	Q421 A422 I423 S428 L432 L599	Q421-A425 WeakPolarHBondContact O-CB 3.24Å; A422-A425 PolarHBondContact O-N 3.15Å; I423-A425 VanDerWaalsContact C-N 3.32Å; I423-A425 PolarHBondContact O-N 3.07Å; A425-S428 PolarHBondContact O-OG 3.18Å; A425-L432 HydrophobicContact CB-CD1 3.96Å; A425-L599 HydrophobicContact CB-CD1 3.98Å
426	I	96.6	Very high	94.8	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-74.5	-41.8	174	-60.7	162.2	0	0	0	110.1	A422 I423 S428 G429 L432 P449 Y545 Q575 V577 F579	A422-I426 HydrophobicContact CB-CD1 4.39Å; A422-I426 VanDerWaalsContact O-CG1 3.29Å; A422-I426 WeakPolarHBondContact O-CG1 3.13Å; A422-I426 PolarHBondContact O-N 3.07Å; I423-I426 PolarHBondContact O-N 2.88Å; I426-S428 PolarHBondContact O-N 3.15Å; I426-G429 PolarHBondContact O-N 3.42Å; I426-L432 HydrophobicContact CD1-CD2 3.74Å; I426-L432 HydrophobicContact CG1-CB 4.12Å; I426-L432 HydrophobicContact CG1-CD2 3.76Å; I426-L432 HydrophobicContact CG1-CG 4.43Å; I426-P449 HydrophobicContact CB-CB 3.95Å; I426-P449 HydrophobicContact CB-CG 3.8Å; I426-P449 HydrophobicContact CD1-CG 4.24Å; I426-P449 HydrophobicContact CG2-CB 3.37Å; I426-P449 HydrophobicContact CG2-CG 3.74Å; I426-Y545 HydrophobicContact CG2-CE2 3.69Å; I426-Y545 WeakPolarHBondContact CG2-OH 3.07Å; I426-Q575 PolarHBondContact O-NE2 3.27Å; I426-V577 HydrophobicContact CD1-CG1 3.86Å; I426-V577 HydrophobicContact CD1-CG2 4.39Å; I426-V577 HydrophobicContact CG1-CG1 4.32Å; I426-V577 HydrophobicContact CG1-CG2 4.1Å; I426-V577 HydrophobicContact CG2-CG2 4.03Å; I426-F579 HydrophobicContact CD1-CE2 4.21Å; I426-F579 HydrophobicContact CD1-CZ 4.36Å
427	M	95.4	Very high	94.3	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-60.6	-24.4	176.8	-73.2	-70.3	-163.6	0	0	112.9	F355 Y356 C397 V399 I423 P424 G429 P449 R452	F355-M427 HydrophobicContact CB-SD 4.48Å; F355-M427 PolarHBondContact N-O 2.97Å; Y356-M427 HydrophobicContact CD2-CB 4.03Å; Y356-M427 HydrophobicContact CG-CB 4.32Å; Y356-M427 PolarHBondContact N-O 2.87Å; C397-M427 WeakPolarHBondContact O-CE 3.28Å; V399-M427 HydrophobicContact CG1-CE 3.54Å; I423-M427 HydrophobicContact CG2-CG 4.2Å; I423-M427 WeakPolarHBondContact O-CB 3.22Å; I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 3.3Å; P424-M427 PolarHBondContact O-N 3.15Å; M427-G429 PolarHBondContact O-N 3.25Å; M427-P449 HydrophobicContact CE-CB 4.27Å; M427-P449 HydrophobicContact CE-CG 4.42Å; M427-P449 HydrophobicContact CG-CB 4.22Å; M427-P449 HydrophobicContact CG-CG 4.29Å; M427-P449 HydrophobicContact SD-CB 3.98Å; M427-R452 HydrophobicContact CE-CB 3.72Å; M427-R452 HydrophobicContact CE-CG 4.19Å; M427-R452 HydrophobicContact SD-CB 3.83Å; M427-R452 HydrophobicContact SD-CG 3.89Å
428	S	94.3	Very high	93.6	Very high	22 Å²	22	9 Å²	9	15%	0.154	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1.6	174.5	72.6	0	0	0	0	114.1	N354 P424 A425 I426	N354-S428 WeakPolarHBondContact CB-O 3.49Å; N354-S428 WeakPolarHBondContact OD1-CA 3.43Å; P424-S428 PolarHBondContact O-N 3.33Å; A425-S428 PolarHBondContact O-OG 3.18Å; I426-S428 PolarHBondContact O-N 3.15Å
429	G	93.5	Very high	92.8	Very high	11 Å²	11	11 Å²	11	11%	0.113	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	13.8	176.5	0	0	0	0	0	114.7	K353 I426 M427	K353-G429 WeakPolarHBondContact O-CA 3.39Å; K353-G429 PolarHBondContact O-N 2.85Å; I426-G429 PolarHBondContact O-N 3.42Å; M427-G429 PolarHBondContact O-N 3.25Å
430	R	94.8	Very high	92.2	Very high	65 Å²	65	11.6 Å²	11.6	25%	0.245	7%	0.072	C	C	.	.			trans	-89.3	146.1	179.3	-66.3	-69.3	-62.8	-76.3	0.9	111.7	K385 G386 Q575 K597 L599	K385-R430 PolarHBondContact O-NH1 2.92Å; K385-R430 PolarHBondContact O-NH2 3.26Å; G386-R430 PolarHBondContact O-NH1 3.11Å; R430-Q575 PolarHBondContact O-NE2 3.35Å; R430-K597 PolarHBondContact NH2-O 3.39Å; R430-L599 HydrophobicContact CB-CD1 3.98Å; R430-L599 HydrophobicContact CB-CG 4.42Å; R430-L599 HydrophobicContact CG-CD1 4.1Å
431	D	96.7	Very high	91.8	Very high	9 Å²	9	12.6 Å²	12.6	5%	0.048	8%	0.082	C	C	.	.			trans	-66	146	165.4	-79.3	16.9	0	0	0	110.3	Q575 T576 L595 A596 P598 L599	D431-Q575 WeakPolarHBondContact OD1-CA 3.29Å; D431-T576 WeakPolarHBondContact CA-O 3.46Å; D431-T576 WeakPolarHBondContact CB-O 3.31Å; D431-T576 VanDerWaalsContact CG-O 3.32Å; D431-T576 PolarHBondContact OD1-N 3.2Å; D431-L595 HydrophobicContact CB-CB 4.36Å; D431-L595 HydrophobicContact CB-CD2 3.85Å; D431-L595 WeakPolarHBondContact OD2-CA 3.32Å; D431-A596 PolarHBondContact OD2-N 3.38Å; D431-P598 HydrophobicContact CB-CB 4.04Å; D431-P598 CarbonylContact O-C 3.53Å; D431-P598 VanDerWaalsContact O-CA 3.3Å; D431-P598 WeakPolarHBondContact O-CA 3.43Å; D431-L599 PolarHBondContact O-N 2.82Å
432	L	96.2	Very high	91.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.6	-172.1	-171.9	85.4	0	0	0	112	A422 A425 I426 T576 V577 M578 F579 L599 V601	A422-L432 HydrophobicContact CB-CD2 3.62Å; A425-L432 HydrophobicContact CB-CD1 3.96Å; I426-L432 HydrophobicContact CD1-CD2 3.74Å; I426-L432 HydrophobicContact CG1-CB 4.12Å; I426-L432 HydrophobicContact CG1-CD2 3.76Å; I426-L432 HydrophobicContact CG1-CG 4.43Å; L432-T576 PolarHBondContact N-O 3.44Å; L432-V577 HydrophobicContact CB-CG1 4.37Å; L432-V577 HydrophobicContact CB-CG2 4.5Å; L432-V577 HydrophobicContact CD2-CG1 4.45Å; L432-M578 PolarHBondContact O-N 3.23Å; L432-F579 HydrophobicContact CD2-CE1 4.47Å; L432-F579 HydrophobicContact CD2-CE2 4.11Å; L432-F579 HydrophobicContact CD2-CZ 3.76Å; L432-L599 CarbonylContact C-O 3.51Å; L432-L599 WeakPolarHBondContact CA-O 3.32Å; L432-L599 HydrophobicContact CD1-CB 4.11Å; L432-V601 HydrophobicContact CD1-CB 4.31Å; L432-V601 HydrophobicContact CD1-CG2 3.73Å
433	I	95.6	Very high	91.4	Very high	13 Å²	13	15 Å²	15	7%	0.067	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.2	160.6	-54.4	176.4	0	0	0	107.9	I435 M578 F583 A591 L595 P598 L599 E600 V601	I433-I435 HydrophobicContact CG2-CD1 4.32Å; I433-I435 HydrophobicContact CG2-CG1 4.07Å; I433-M578 CarbonylContact C-O 3.58Å; I433-M578 WeakPolarHBondContact CA-O 3.28Å; I433-M578 HydrophobicContact CD1-CE 4.32Å; I433-M578 HydrophobicContact CG1-CE 4.12Å; I433-M578 HydrophobicContact CG2-CE 4.09Å; I433-F583 HydrophobicContact CD1-CE2 4.47Å; I433-F583 HydrophobicContact CD1-CZ 3.97Å; I433-F583 HydrophobicContact CG2-CD2 4.24Å; I433-F583 HydrophobicContact CG2-CE2 3.8Å; I433-F583 HydrophobicContact CG2-CZ 4.05Å; I433-A591 HydrophobicContact CD1-CB 3.92Å; I433-L595 HydrophobicContact CD1-CD1 3.84Å; I433-L595 HydrophobicContact CG1-CD1 3.52Å; I433-P598 HydrophobicContact CD1-CG 4.25Å; I433-P598 HydrophobicContact CG1-CB 4.31Å; I433-L599 PolarHBondContact N-O 2.88Å; I433-E600 HydrophobicContact CB-CG 4.24Å; I433-E600 HydrophobicContact CG2-CG 4.34Å; I433-V601 PolarHBondContact O-N 3.43Å
434	G	94.3	Very high	91.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.1	179.1	0	0	0	0	0	112.5	M578 F579 S580	G434-M578 PolarHBondContact N-O 3.38Å; G434-F579 WeakPolarHBondContact O-CA 3.45Å; G434-F579 WeakPolarHBondContact O-CD1 3.23Å; G434-S580 PolarHBondContact O-N 3.43Å; G434-S580 VanDerWaalsContact O-N 3.14Å
435	I	92.2	Very high	91.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.7	179.9	-53.3	165.6	0	0	0	108.2	I433 F583 E600 V601 Q602 V603	I433-I435 HydrophobicContact CG2-CD1 4.32Å; I433-I435 HydrophobicContact CG2-CG1 4.07Å; I435-F583 HydrophobicContact CD1-CB 3.61Å; I435-F583 HydrophobicContact CD1-CD1 3.71Å; I435-F583 HydrophobicContact CD1-CD2 4.27Å; I435-F583 HydrophobicContact CD1-CE1 4.48Å; I435-F583 HydrophobicContact CD1-CG 3.61Å; I435-F583 HydrophobicContact CG1-CB 4.11Å; I435-F583 HydrophobicContact CG1-CG 4.23Å; I435-E600 HydrophobicContact CD1-CG 4.07Å; I435-E600 WeakPolarHBondContact CD1-OE1 3.4Å; I435-V601 PolarHBondContact N-O 3.31Å; I435-Q602 HydrophobicContact CB-CB 4.32Å; I435-Q602 HydrophobicContact CB-CG 4.19Å; I435-Q602 HydrophobicContact CG2-CG 4.21Å; I435-Q602 CarbonylContact O-C 3.51Å; I435-Q602 WeakPolarHBondContact O-CA 3.48Å; I435-V603 PolarHBondContact O-N 2.93Å
436	A	88.8	Confident	91.3	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.017	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	149.1	176.6	0	0	0	0	0	112.3	I418 S440 K442 S580 A581 V603	I418-A436 HydrophobicContact CB-CB 3.82Å; I418-A436 HydrophobicContact CD1-CB 4.13Å; I418-A436 HydrophobicContact CG1-CB 3.82Å; I418-A436 HydrophobicContact CG2-CB 4.18Å; A436-S440 WeakPolarHBondContact CB-OG 3.38Å; A436-K442 HydrophobicContact CB-CD 4.27Å; A436-K442 HydrophobicContact CB-CG 4.4Å; A436-K442 PolarHBondContact O-NZ 3.34Å; A436-S580 PolarHBondContact N-O 3Å; A436-A581 VanDerWaalsContact O-CA 3.31Å; A436-A581 WeakPolarHBondContact O-CA 3.45Å; A436-V603 HydrophobicContact CB-CB 4.04Å
437	K	81.8	Confident	91.3	Very high	44 Å²	44	15.2 Å²	15.2	19%	0.191	10%	0.097	C	C	.	.			trans	-47.2	156.1	178.8	70	-167.3	-172	-162.6	0	113.7	E378 S440 C610	E378-K437 IonicContact OE1-NZ 2.69Å; E378-K437 PolarHBondContact OE1-NZ 3.22Å; E378-K437 VanDerWaalsContact OE2-CE 3.3Å; E378-K437 WeakPolarHBondContact OE2-CE 3.37Å; E378-K437 IonicContact OE2-NZ 2.82Å; E378-K437 PolarHBondContact OE2-NZ 3.47Å; K437-S440 VanDerWaalsContact O-CB 3.23Å; K437-S440 WeakPolarHBondContact O-CB 3.41Å; K437-S440 PolarHBondContact O-N 3.33Å; K437-S440 PolarHBondContact O-OG 2.94Å; K437-C610 HydrophobicContact CD-CB 4.33Å
438	T	80.2	Confident	91.3	Very high	11 Å²	11	15.1 Å²	15.1	7%	0.067	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	153.1	174.7	55.1	0	0	0	0	110.9	S440 A581 G728	T438-S440 PolarHBondContact O-N 3.38Å; T438-A581 HydrophobicContact CG2-CB 4.3Å; T438-G728 VanDerWaalsContact CB-O 3.3Å; T438-G728 WeakPolarHBondContact CB-O 3.49Å; T438-G728 VanDerWaalsContact OG1-CA 3.25Å; T438-G728 WeakPolarHBondContact OG1-CA 3.47Å; T438-G728 PolarHBondContact OG1-O 3.3Å
439	G	76.9	Confident	91.3	Very high	45 Å²	45	14.1 Å²	14.1	46%	0.464	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-10.6	-178.2	0	0	0	0	0	116.5	G441	G439-G441 PolarHBondContact O-N 2.9Å
440	S	82.3	Confident	91.5	Very high	15 Å²	15	13.6 Å²	13.6	11%	0.105	8%	0.084	C	C	.	.	S	Bend	trans	-63	-2.3	179.9	60	0	0	0	0	116.2	T416 I418 A436 K437 T438	T416-S440 WeakPolarHBondContact CB-O 3.06Å; T416-S440 WeakPolarHBondContact CG2-O 3.15Å; T416-S440 PolarHBondContact OG1-O 3.1Å; I418-S440 VanDerWaalsContact CG2-O 3.25Å; I418-S440 WeakPolarHBondContact CG2-O 3.35Å; A436-S440 WeakPolarHBondContact CB-OG 3.38Å; K437-S440 VanDerWaalsContact O-CB 3.23Å; K437-S440 WeakPolarHBondContact O-CB 3.41Å; K437-S440 PolarHBondContact O-N 3.33Å; K437-S440 PolarHBondContact O-OG 2.94Å; T438-S440 PolarHBondContact O-N 3.38Å
441	G	87.7	Confident	91.5	Very high	22 Å²	22	10.5 Å²	10.5	23%	0.227	7%	0.072	C	C	.	.			trans	87.4	19.3	174.2	0	0	0	0	0	115.9	Q419 G439 T443 I444	Q419-G441 PolarHBondContact NE2-O 3.02Å; G439-G441 PolarHBondContact O-N 2.9Å; G441-T443 PolarHBondContact O-N 3.46Å; G441-T443 VanDerWaalsContact O-N 3.14Å; G441-I444 PolarHBondContact O-N 3.06Å
442	K	91.8	Very high	91.3	Very high	15 Å²	15	13 Å²	13	7%	0.065	8%	0.081	C	C	.	.	H	α-helix	trans	-44.1	-42.5	177.7	-66	-177.8	-65.3	-150.2	0	114.1	I418 A436 I444 A445 F446 F579 S580 A581	I418-K442 HydrophobicContact CG1-CG 4.42Å; I418-K442 HydrophobicContact CG2-CG 4.4Å; A436-K442 HydrophobicContact CB-CD 4.27Å; A436-K442 HydrophobicContact CB-CG 4.4Å; A436-K442 PolarHBondContact O-NZ 3.34Å; K442-I444 VanDerWaalsContact C-N 3.29Å; K442-I444 PolarHBondContact O-N 2.84Å; K442-A445 WeakPolarHBondContact O-CA 3.2Å; K442-A445 VanDerWaalsContact O-CB 3.26Å; K442-A445 WeakPolarHBondContact O-CB 3.32Å; K442-A445 PolarHBondContact O-N 3.35Å; K442-F446 VanDerWaalsContact O-CD1 3.31Å; K442-F446 WeakPolarHBondContact O-CD1 3.19Å; K442-F446 PolarHBondContact O-N 3.12Å; K442-F579 HydrophobicContact CB-CD1 3.81Å; K442-F579 HydrophobicContact CB-CE1 4.27Å; K442-F579 HydrophobicContact CB-CG 4.26Å; K442-F579 HydrophobicContact CD-CB 4.33Å; K442-F579 HydrophobicContact CD-CD1 3.8Å; K442-F579 HydrophobicContact CD-CG 4.49Å; K442-F579 HydrophobicContact CG-CD1 3.73Å; K442-F579 HydrophobicContact CG-CE1 4.19Å; K442-S580 WeakPolarHBondContact CD-O 3.46Å; K442-S580 PolarHBondContact NZ-O 3.19Å; K442-A581 VanDerWaalsContact NZ-N 3.18Å
443	T	93.3	Very high	91.3	Very high	35 Å²	35	13 Å²	13	22%	0.215	8%	0.081	C	C	.	.	H	α-helix	trans	-54.5	-40.4	179.3	-42.9	0	0	0	0	113.5	G441 F446 L447 I481 E484	G441-T443 PolarHBondContact O-N 3.46Å; G441-T443 VanDerWaalsContact O-N 3.14Å; T443-F446 HydrophobicContact CG2-CE2 4.28Å; T443-F446 HydrophobicContact CG2-CZ 3.95Å; T443-L447 HydrophobicContact CG2-CD1 3.87Å; T443-L447 HydrophobicContact CG2-CG 4.46Å; T443-L447 WeakPolarHBondContact O-CB 3.38Å; T443-L447 WeakPolarHBondContact O-CG 3.47Å; T443-L447 PolarHBondContact O-N 2.94Å; T443-L447 VanDerWaalsContact O-N 3.13Å; T443-I481 HydrophobicContact CG2-CG1 4.08Å; T443-I481 HydrophobicContact CG2-CG2 4.38Å; T443-E484 HydrophobicContact CG2-CB 4.41Å; T443-E484 HydrophobicContact CG2-CG 4.29Å
444	I	93.8	Very high	91.3	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-75.3	-27.6	177.4	-61.7	-60.8	0	0	0	111.5	W394 Y412 G441 K442 L448 E484 F488	W394-I444 HydrophobicContact CH2-CG2 4.06Å; W394-I444 HydrophobicContact CZ3-CG2 4.46Å; Y412-I444 HydrophobicContact CE1-CG1 4.25Å; G441-I444 PolarHBondContact O-N 3.06Å; K442-I444 VanDerWaalsContact C-N 3.29Å; K442-I444 PolarHBondContact O-N 2.84Å; I444-L448 HydrophobicContact CG2-CD1 3.46Å; I444-L448 VanDerWaalsContact CG2-CD1 3.46Å; I444-L448 HydrophobicContact CG2-CG 3.8Å; I444-L448 WeakPolarHBondContact O-CG 3.23Å; I444-L448 PolarHBondContact O-N 3.35Å; I444-E484 HydrophobicContact CD1-CG 3.82Å; I444-F488 HydrophobicContact CD1-CE2 3.68Å; I444-F488 HydrophobicContact CD1-CZ 4.09Å
445	A	95.5	Very high	91.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.1	-37	178.7	0	0	0	0	0	112.8	Q419 A422 I423 K442 P449 F579	Q419-A445 HydrophobicContact CG-CB 3.93Å; A422-A445 HydrophobicContact CB-CB 4.24Å; I423-A445 HydrophobicContact CG1-CB 4.46Å; K442-A445 WeakPolarHBondContact O-CA 3.2Å; K442-A445 VanDerWaalsContact O-CB 3.26Å; K442-A445 WeakPolarHBondContact O-CB 3.32Å; K442-A445 PolarHBondContact O-N 3.35Å; A445-P449 WeakPolarHBondContact O-CD 3.32Å; A445-P449 WeakPolarHBondContact O-CG 3.4Å; A445-F579 HydrophobicContact CB-CE1 4.31Å; A445-F579 HydrophobicContact CB-CZ 3.82Å
446	F	96	Very high	91.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-87.5	-31.9	172.8	60	-107.5	0	0	0	114.3	K442 T443 M450 I470 I481 Y545 V547 D549 V577 F579	K442-F446 VanDerWaalsContact O-CD1 3.31Å; K442-F446 WeakPolarHBondContact O-CD1 3.19Å; K442-F446 PolarHBondContact O-N 3.12Å; T443-F446 HydrophobicContact CG2-CE2 4.28Å; T443-F446 HydrophobicContact CG2-CZ 3.95Å; F446-M450 VanDerWaalsContact O-CB 3.29Å; F446-M450 WeakPolarHBondContact O-CB 3.42Å; F446-M450 PolarHBondContact O-N 2.94Å; F446-I470 HydrophobicContact CD2-CD1 4.46Å; F446-I470 HydrophobicContact CE2-CD1 4.06Å; F446-I470 HydrophobicContact CE2-CG1 4.42Å; F446-I470 HydrophobicContact CE2-CG2 4.19Å; F446-I470 HydrophobicContact CZ-CG2 4.44Å; F446-I481 HydrophobicContact CE2-CG2 4.22Å; F446-I481 HydrophobicContact CZ-CD1 4.28Å; F446-I481 HydrophobicContact CZ-CG2 4.46Å; F446-Y545 PolarHBondContact O-OH 2.78Å; F446-V547 HydrophobicContact CB-CG1 4.22Å; F446-V547 HydrophobicContact CB-CG2 4.15Å; F446-V547 HydrophobicContact CD1-CG1 3.88Å; F446-V547 HydrophobicContact CD2-CB 4.5Å; F446-V547 HydrophobicContact CD2-CG1 3.88Å; F446-V547 HydrophobicContact CD2-CG2 4.07Å; F446-V547 HydrophobicContact CE1-CG1 4.04Å; F446-V547 HydrophobicContact CE2-CG1 4.08Å; F446-V547 HydrophobicContact CG-CG1 3.78Å; F446-V547 HydrophobicContact CG-CG2 4.28Å; F446-V547 HydrophobicContact CZ-CG1 4.13Å; F446-D549 HydrophobicContact CE1-CB 4.03Å; F446-D549 WeakPolarHBondContact CE1-OD2 3.19Å; F446-D549 HydrophobicContact CZ-CB 4.14Å; F446-D549 WeakPolarHBondContact CZ-OD2 3.29Å; F446-V577 HydrophobicContact CB-CG1 4.23Å; F446-F579 HydrophobicContact CB-CD2 4.21Å; F446-F579 HydrophobicContact CB-CE2 3.86Å; F446-F579 AromaticContact CD1-CD2 3.6Å; F446-F579 HydrophobicContact CD1-CD2 3.6Å; F446-F579 AromaticContact CD1-CE2 3.94Å; F446-F579 HydrophobicContact CD1-CE2 3.94Å; F446-F579 HydrophobicContact CD1-CG 4.28Å; F446-F579 HydrophobicContact CE1-CD2 4.43Å; F446-F579 HydrophobicContact CG-CD2 4.38Å; F446-F579 HydrophobicContact CG-CE2 4.43Å
447	L	96.2	Very high	91.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-38.6	-178.9	-74.3	177.3	0	0	0	113.1	T443 M450 F451 I470 E484 C485	T443-L447 HydrophobicContact CG2-CD1 3.87Å; T443-L447 HydrophobicContact CG2-CG 4.46Å; T443-L447 WeakPolarHBondContact O-CB 3.38Å; T443-L447 WeakPolarHBondContact O-CG 3.47Å; T443-L447 PolarHBondContact O-N 2.94Å; T443-L447 VanDerWaalsContact O-N 3.13Å; L447-M450 HydrophobicContact CD2-CE 3.46Å; L447-M450 VanDerWaalsContact CD2-CE 3.46Å; L447-M450 HydrophobicContact CD2-SD 4.03Å; L447-M450 WeakPolarHBondContact O-CB 3.33Å; L447-M450 PolarHBondContact O-N 3.04Å; L447-F451 HydrophobicContact CB-CE2 3.88Å; L447-F451 HydrophobicContact CB-CZ 4.36Å; L447-F451 HydrophobicContact CD2-CZ 4.39Å; L447-F451 WeakPolarHBondContact O-CD2 3.47Å; L447-F451 WeakPolarHBondContact O-CE2 3.36Å; L447-F451 WeakPolarHBondContact O-CG 3.48Å; L447-F451 PolarHBondContact O-N 3.38Å; L447-I470 HydrophobicContact CD2-CD1 3.83Å; L447-E484 HydrophobicContact CD1-CB 4.32Å; L447-E484 HydrophobicContact CD1-CG 4.18Å; L447-C485 HydrophobicContact CD1-CB 4.11Å; L447-C485 HydrophobicContact CD2-CB 3.94Å
448	L	94.7	Very high	92.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-44	-176.2	-67.2	176.4	0	0	0	113.9	W394 I403 L407 I423 I444 R452 F488	W394-L448 HydrophobicContact CE3-CD1 4.09Å; W394-L448 HydrophobicContact CH2-CD1 4.2Å; W394-L448 HydrophobicContact CZ3-CD1 3.45Å; W394-L448 VanDerWaalsContact CZ3-CD1 3.45Å; I403-L448 HydrophobicContact CG2-CD2 3.49Å; I403-L448 VanDerWaalsContact CG2-CD2 3.49Å; L407-L448 HydrophobicContact CD1-CD1 4.33Å; L407-L448 HydrophobicContact CD2-CD1 4.3Å; L407-L448 HydrophobicContact CD2-CD2 4.45Å; I423-L448 HydrophobicContact CD1-CD1 3.92Å; I444-L448 HydrophobicContact CG2-CD1 3.46Å; I444-L448 VanDerWaalsContact CG2-CD1 3.46Å; I444-L448 HydrophobicContact CG2-CG 3.8Å; I444-L448 WeakPolarHBondContact O-CG 3.23Å; I444-L448 PolarHBondContact O-N 3.35Å; L448-R452 PolarHBondContact O-N 3.09Å; L448-F488 HydrophobicContact CD2-CD1 4.47Å; L448-F488 HydrophobicContact CD2-CE1 4.46Å
449	P	95.6	Very high	92.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-43.8	170.3	-22.2	34	0	0	0	113	I423 I426 M427 A445 F451 R452 H453	I423-P449 HydrophobicContact CG2-CG 4.36Å; I426-P449 HydrophobicContact CB-CB 3.95Å; I426-P449 HydrophobicContact CB-CG 3.8Å; I426-P449 HydrophobicContact CD1-CG 4.24Å; I426-P449 HydrophobicContact CG2-CB 3.37Å; I426-P449 HydrophobicContact CG2-CG 3.74Å; M427-P449 HydrophobicContact CE-CB 4.27Å; M427-P449 HydrophobicContact CE-CG 4.42Å; M427-P449 HydrophobicContact CG-CB 4.22Å; M427-P449 HydrophobicContact CG-CG 4.29Å; M427-P449 HydrophobicContact SD-CB 3.98Å; A445-P449 WeakPolarHBondContact O-CD 3.32Å; A445-P449 WeakPolarHBondContact O-CG 3.4Å; P449-F451 VanDerWaalsContact C-N 3.27Å; P449-F451 PolarHBondContact O-N 3.32Å; P449-R452 WeakPolarHBondContact O-CA 3.49Å; P449-R452 WeakPolarHBondContact O-CB 3.3Å; P449-R452 PolarHBondContact O-N 3.03Å; P449-H453 WeakPolarHBondContact O-CB 3.41Å; P449-H453 PolarHBondContact O-N 3.05Å
450	M	96.4	Very high	93.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-52.6	-43	177	-175.9	-161	71.3	0	0	112.3	F446 L447 R452 H453 I454 S468 I470 I518 Y545	F446-M450 VanDerWaalsContact O-CB 3.29Å; F446-M450 WeakPolarHBondContact O-CB 3.42Å; F446-M450 PolarHBondContact O-N 2.94Å; L447-M450 HydrophobicContact CD2-CE 3.46Å; L447-M450 VanDerWaalsContact CD2-CE 3.46Å; L447-M450 HydrophobicContact CD2-SD 4.03Å; L447-M450 WeakPolarHBondContact O-CB 3.33Å; L447-M450 PolarHBondContact O-N 3.04Å; M450-R452 PolarHBondContact O-N 3.09Å; M450-H453 PolarHBondContact O-N 3.21Å; M450-I454 HydrophobicContact CE-CD1 4.4Å; M450-I454 HydrophobicContact CG-CD1 3.81Å; M450-I454 WeakPolarHBondContact O-CD1 3.45Å; M450-I454 VanDerWaalsContact O-CG1 3.27Å; M450-I454 WeakPolarHBondContact O-CG1 3.27Å; M450-I454 PolarHBondContact O-N 3.03Å; M450-I454 HydrophobicContact SD-CD1 4.45Å; M450-S468 WeakPolarHBondContact CG-OG 3.28Å; M450-S468 PolarHBondContact SD-OG 2.97Å; M450-I470 HydrophobicContact SD-CD1 3.84Å; M450-I470 HydrophobicContact SD-CG1 4.42Å; M450-I518 HydrophobicContact CE-CD1 3.51Å; M450-I518 HydrophobicContact CE-CG1 3.93Å; M450-I518 HydrophobicContact CE-CG2 4.21Å; M450-I518 HydrophobicContact SD-CD1 4.46Å; M450-I518 HydrophobicContact SD-CG1 4.23Å; M450-I518 HydrophobicContact SD-CG2 4.07Å; M450-Y545 HydrophobicContact CB-CD1 3.93Å; M450-Y545 HydrophobicContact CB-CE1 3.53Å; M450-Y545 HydrophobicContact CG-CD1 3.72Å; M450-Y545 HydrophobicContact CG-CE1 3.82Å; M450-Y545 HydrophobicContact CG-CG 4.47Å
451	F	95.6	Very high	93.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-34.9	175.4	-64.3	-49.4	0	0	0	113.4	I403 L447 P449 M455 F488 L492 L494 I518	I403-F451 HydrophobicContact CD1-CB 3.95Å; L447-F451 HydrophobicContact CB-CE2 3.88Å; L447-F451 HydrophobicContact CB-CZ 4.36Å; L447-F451 HydrophobicContact CD2-CZ 4.39Å; L447-F451 WeakPolarHBondContact O-CD2 3.47Å; L447-F451 WeakPolarHBondContact O-CE2 3.36Å; L447-F451 WeakPolarHBondContact O-CG 3.48Å; L447-F451 PolarHBondContact O-N 3.38Å; P449-F451 VanDerWaalsContact C-N 3.27Å; P449-F451 PolarHBondContact O-N 3.32Å; F451-M455 VanDerWaalsContact O-CB 3.3Å; F451-M455 WeakPolarHBondContact O-CB 3.43Å; F451-M455 WeakPolarHBondContact O-CG 3.47Å; F451-M455 PolarHBondContact O-N 2.98Å; F451-F488 HydrophobicContact CD2-CB 3.97Å; F451-F488 HydrophobicContact CE1-CB 4.48Å; F451-F488 HydrophobicContact CE2-CB 3.29Å; F451-F488 HydrophobicContact CE2-CD2 4.3Å; F451-F488 AromaticContact CE2-CG 3.95Å; F451-F488 HydrophobicContact CE2-CG 3.95Å; F451-F488 HydrophobicContact CZ-CB 3.6Å; F451-L492 HydrophobicContact CB-CD1 3.74Å; F451-L492 HydrophobicContact CD1-CD1 3.87Å; F451-L492 HydrophobicContact CG-CD1 3.82Å; F451-L494 HydrophobicContact CD1-CD1 4.01Å; F451-I518 HydrophobicContact CD1-CD1 4.25Å; F451-I518 HydrophobicContact CE1-CD1 3.84Å
452	R	93.6	Very high	93.9	Very high	60 Å²	60	40.2 Å²	40.2	23%	0.226	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-39.7	175.7	175.6	62.7	-165.9	96.4	-3.1	111.3	F355 M427 L448 P449 M450 M455 D456	F355-R452 HydrophobicContact CB-CG 3.96Å; F355-R452 HydrophobicContact CD1-CG 4.48Å; F355-R452 HydrophobicContact CD2-CG 4.3Å; F355-R452 HydrophobicContact CG-CG 3.99Å; M427-R452 HydrophobicContact CE-CB 3.72Å; M427-R452 HydrophobicContact CE-CG 4.19Å; M427-R452 HydrophobicContact SD-CB 3.83Å; M427-R452 HydrophobicContact SD-CG 3.89Å; L448-R452 PolarHBondContact O-N 3.09Å; P449-R452 WeakPolarHBondContact O-CA 3.49Å; P449-R452 WeakPolarHBondContact O-CB 3.3Å; P449-R452 PolarHBondContact O-N 3.03Å; M450-R452 PolarHBondContact O-N 3.09Å; R452-M455 PolarHBondContact O-N 3.26Å; R452-D456 IonicContact CZ-OD1 3.45Å; R452-D456 IonicContact NH1-OD1 2.71Å; R452-D456 PolarHBondContact NH1-OD1 3.06Å; R452-D456 IonicContact NH2-OD1 3.27Å; R452-D456 PolarHBondContact NH2-OD1 3.06Å; R452-D456 PolarHBondContact O-N 2.78Å
453	H	95	Very high	93.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-50.8	178.5	179.1	118.8	0	0	0	112.2	Y351 F355 P449 M450 M455 D456 Q457 T544 Y545	Y351-H453 AromaticContact CE2-CE1 3.42Å; Y351-H453 VanDerWaalsContact CE2-CE1 3.42Å; Y351-H453 WeakPolarHBondContact CE2-CE1 3.43Å; Y351-H453 AromaticContact CE2-NE2 3.93Å; F355-H453 HydrophobicContact CE2-CB 3.76Å; F355-H453 AromaticContact CE2-ND1 3.85Å; F355-H453 HydrophobicContact CZ-CB 4.08Å; P449-H453 WeakPolarHBondContact O-CB 3.41Å; P449-H453 PolarHBondContact O-N 3.05Å; M450-H453 PolarHBondContact O-N 3.21Å; H453-M455 VanDerWaalsContact C-N 3.32Å; H453-M455 PolarHBondContact O-N 3.49Å; H453-D456 PolarHBondContact O-N 2.91Å; H453-Q457 PolarHBondContact CD2-NE2 3.5Å; H453-Q457 VanDerWaalsContact CD2-NE2 3.26Å; H453-Q457 PolarHBondContact NE2-NE2 2.91Å; H453-Q457 VanDerWaalsContact NE2-NE2 3.12Å; H453-T544 PolarHBondContact CE1-O 3.19Å; H453-T544 VanDerWaalsContact CE1-O 3.31Å; H453-T544 WeakPolarHBondContact NE2-CB 3.43Å; H453-T544 PolarHBondContact NE2-OG1 3.25Å; H453-Y545 AromaticContact ND1-CD2 3.86Å
454	I	95.3	Very high	93.4	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-41.2	177.5	-66.3	163.7	0	0	0	111.1	M450 D456 Q457 I467 L494 E517 I518	M450-I454 HydrophobicContact CE-CD1 4.4Å; M450-I454 HydrophobicContact CG-CD1 3.81Å; M450-I454 WeakPolarHBondContact O-CD1 3.45Å; M450-I454 VanDerWaalsContact O-CG1 3.27Å; M450-I454 WeakPolarHBondContact O-CG1 3.27Å; M450-I454 PolarHBondContact O-N 3.03Å; M450-I454 HydrophobicContact SD-CD1 4.45Å; I454-D456 PolarHBondContact O-N 3.05Å; I454-Q457 PolarHBondContact O-N 3.45Å; I454-I467 HydrophobicContact CB-CG2 4.43Å; I454-I467 HydrophobicContact CG1-CB 4.13Å; I454-I467 HydrophobicContact CG1-CG2 3.72Å; I454-I467 HydrophobicContact CG2-CD1 4.11Å; I454-L494 HydrophobicContact CB-CD1 4.37Å; I454-L494 HydrophobicContact CG2-CD1 3.93Å; I454-L494 HydrophobicContact CG2-CD2 3.69Å; I454-L494 HydrophobicContact CG2-CG 4.46Å; I454-E517 HydrophobicContact CG2-CB 4.17Å; I454-E517 HydrophobicContact CG2-CG 4.5Å; I454-I518 HydrophobicContact CD1-CD1 3.75Å; I454-I518 HydrophobicContact CD1-CG1 3.36Å
455	M	93.3	Very high	93.4	Very high	93 Å²	93	42.4 Å²	42.4	46%	0.458	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.1	-179.7	-69.2	-67.3	-40.7	0	0	114.6	F451 R452 H453 L492 L494	F451-M455 VanDerWaalsContact O-CB 3.3Å; F451-M455 WeakPolarHBondContact O-CB 3.43Å; F451-M455 WeakPolarHBondContact O-CG 3.47Å; F451-M455 PolarHBondContact O-N 2.98Å; R452-M455 PolarHBondContact O-N 3.26Å; H453-M455 VanDerWaalsContact C-N 3.32Å; H453-M455 PolarHBondContact O-N 3.49Å; M455-L492 HydrophobicContact CG-CD2 4.46Å; M455-L492 HydrophobicContact SD-CB 4.19Å; M455-L492 HydrophobicContact SD-CD2 4.41Å; M455-L494 HydrophobicContact CG-CD1 4.41Å; M455-L494 HydrophobicContact SD-CD1 4.26Å; M455-L494 HydrophobicContact SD-CD2 4.2Å; M455-L494 HydrophobicContact SD-CG 4.34Å
456	D	93.4	Very high	93.4	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-8.9	171.4	-137.4	60.2	0	0	0	113.3	R352 F355 R452 H453 I454	R352-D456 VanDerWaalsContact CD-OD2 3.29Å; R352-D456 WeakPolarHBondContact CD-OD2 3.42Å; F355-D456 HydrophobicContact CD1-CB 4.33Å; F355-D456 HydrophobicContact CE1-CB 3.56Å; F355-D456 WeakPolarHBondContact CE1-OD2 3.12Å; F355-D456 HydrophobicContact CZ-CB 4.25Å; R452-D456 IonicContact CZ-OD1 3.45Å; R452-D456 IonicContact NH1-OD1 2.71Å; R452-D456 PolarHBondContact NH1-OD1 3.06Å; R452-D456 IonicContact NH2-OD1 3.27Å; R452-D456 PolarHBondContact NH2-OD1 3.06Å; R452-D456 PolarHBondContact O-N 2.78Å; H453-D456 PolarHBondContact O-N 2.91Å; I454-D456 PolarHBondContact O-N 3.05Å
457	Q	94.4	Very high	93.4	Very high	37 Å²	37	42.6 Å²	42.6	17%	0.173	22%	0.224	C	C	.	.	S	Bend	trans	-102	161.1	-175.3	-61.6	-176.3	27.8	0	0	111.7	H453 I454 I467 T544	H453-Q457 PolarHBondContact CD2-NE2 3.5Å; H453-Q457 VanDerWaalsContact CD2-NE2 3.26Å; H453-Q457 PolarHBondContact NE2-NE2 2.91Å; H453-Q457 VanDerWaalsContact NE2-NE2 3.12Å; I454-Q457 PolarHBondContact O-N 3.45Å; Q457-I467 HydrophobicContact CB-CD1 4.36Å; Q457-T544 PolarHBondContact NE2-OG1 3.17Å
458	R	94.1	Very high	93.5	Very high	74 Å²	74	42.6 Å²	42.6	28%	0.279	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-60.7	142.9	171.5	70.8	176	176.7	74.4	4.7	110.1	E349 E461 E464 R542	E349-R458 IonicContact OE1-CZ 3.9Å; E349-R458 IonicContact OE1-NE 2.74Å; E349-R458 PolarHBondContact OE1-NE 3.43Å; E349-R458 IonicContact OE1-NH2 3.22Å; E349-R458 PolarHBondContact OE1-NH2 2.88Å; E349-R458 IonicContact OE2-CZ 2.67Å; E349-R458 IonicContact OE2-NE 3.37Å; E349-R458 PolarHBondContact OE2-NE 3.18Å; E349-R458 IonicContact OE2-NH2 3.02Å; E349-R458 PolarHBondContact OE2-NH2 3.39Å; R458-E461 IonicContact CZ-OE1 3.67Å; R458-E461 IonicContact NE-OE1 3.98Å; R458-E461 IonicContact NH1-OE1 2.9Å; R458-E461 PolarHBondContact NH1-OE1 2.65Å; R458-E464 IonicContact CZ-OE1 2.7Å; R458-E464 IonicContact CZ-OE2 2.96Å; R458-E464 IonicContact NH1-OE1 2.71Å; R458-E464 PolarHBondContact NH1-OE1 2.99Å; R458-E464 IonicContact NH1-OE2 3.68Å; R458-E464 PolarHBondContact NH1-OE2 3.08Å; R458-E464 IonicContact NH2-OE1 3.16Å; R458-E464 PolarHBondContact NH2-OE1 3.09Å; R458-E464 IonicContact NH2-OE2 4Å; R458-R542 VanDerWaalsContact NH2-CZ 3.34Å; R458-R542 PolarHBondContact O-NH2 2.8Å
459	P	92.5	Very high	93.6	Very high	108 Å²	108	42.7 Å²	42.7	70%	0.701	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-52.1	158.9	173.1	-25.8	35	0	0	0	112.7	R542	P459-R542 PolarHBondContact O-NH2 3.34Å
460	L	92.3	Very high	93.7	Very high	20 Å²	20	42.6 Å²	42.6	11%	0.105	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-70.9	135.2	174.7	-69.5	-175	0	0	0	111.9	E464 G465 I467 A516 E517	L460-E464 WeakPolarHBondContact CA-OE2 3.29Å; L460-E464 HydrophobicContact CB-CB 4.48Å; L460-E464 HydrophobicContact CD2-CB 3.95Å; L460-G465 WeakPolarHBondContact CD2-O 3.3Å; L460-I467 HydrophobicContact CD2-CD1 4.12Å; L460-I467 HydrophobicContact CD2-CG1 3.98Å; L460-I467 HydrophobicContact CG-CD1 4.47Å; L460-A516 WeakPolarHBondContact CD1-O 3.01Å; L460-E517 HydrophobicContact CD1-CB 4.49Å; L460-E517 HydrophobicContact CD1-CG 4.04Å; L460-E517 HydrophobicContact CG-CG 4.14Å
461	E	91.3	Very high	93.7	Very high	122 Å²	122	42.6 Å²	42.6	57%	0.57	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-89.4	172.5	168.4	-73.9	161.1	-128.7	0	0	111.3	R458 E464	R458-E461 IonicContact CZ-OE1 3.67Å; R458-E461 IonicContact NE-OE1 3.98Å; R458-E461 IonicContact NH1-OE1 2.9Å; R458-E461 PolarHBondContact NH1-OE1 2.65Å; E461-E464 HydrophobicContact CB-CG 3.95Å; E461-E464 PolarHBondContact N-OE2 3.39Å; E461-E464 WeakPolarHBondContact O-CB 3.38Å; E461-E464 PolarHBondContact O-N 2.98Å
462	E	87.8	Confident	93.6	Very high	199 Å²	199	42.6 Å²	42.6	93%	0.93	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	130.7	-176.3	-168.9	165	-169.7	0	0	111.4	E464	E462-E464 VanDerWaalsContact C-N 3.32Å
463	G	85.2	Confident	93.3	Very high	64 Å²	64	40.1 Å²	40.1	66%	0.66	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	-1.6	-173.3	0	0	0	0	0	115.5	N539	G463-N539 PolarHBondContact O-ND2 2.85Å
464	E	90.4	Very high	92.9	Very high	39 Å²	39	40.7 Å²	40.7	18%	0.182	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-74.2	146.2	177.2	-66.7	-152.4	116.8	0	0	114	R458 L460 E461 E462 R542	R458-E464 IonicContact CZ-OE1 2.7Å; R458-E464 IonicContact CZ-OE2 2.96Å; R458-E464 IonicContact NH1-OE1 2.71Å; R458-E464 PolarHBondContact NH1-OE1 2.99Å; R458-E464 IonicContact NH1-OE2 3.68Å; R458-E464 PolarHBondContact NH1-OE2 3.08Å; R458-E464 IonicContact NH2-OE1 3.16Å; R458-E464 PolarHBondContact NH2-OE1 3.09Å; R458-E464 IonicContact NH2-OE2 4Å; L460-E464 WeakPolarHBondContact CA-OE2 3.29Å; L460-E464 HydrophobicContact CB-CB 4.48Å; L460-E464 HydrophobicContact CD2-CB 3.95Å; E461-E464 HydrophobicContact CB-CG 3.95Å; E461-E464 PolarHBondContact N-OE2 3.39Å; E461-E464 WeakPolarHBondContact O-CB 3.38Å; E461-E464 PolarHBondContact O-N 2.98Å; E462-E464 VanDerWaalsContact C-N 3.32Å; E464-R542 HydrophobicContact CB-CG 4.37Å; E464-R542 VanDerWaalsContact CD-NE 3.3Å; E464-R542 WeakPolarHBondContact OE1-CD 3.4Å; E464-R542 IonicContact OE1-CZ 2.8Å; E464-R542 IonicContact OE1-NE 2.66Å; E464-R542 PolarHBondContact OE1-NE 3.44Å; E464-R542 IonicContact OE2-CZ 3.67Å; E464-R542 IonicContact OE2-NE 3.83Å; E464-R542 PolarHBondContact OE2-NE 3.46Å; E464-R542 IonicContact OE2-NH2 2.67Å; E464-R542 PolarHBondContact OE2-NH2 2.88Å
465	G	91.9	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-71.4	168.2	169.9	0	0	0	0	0	113.8	L460 N539	L460-G465 WeakPolarHBondContact CD2-O 3.3Å; G465-N539 WeakPolarHBondContact CA-O 3.44Å
466	P	96.1	Very high	92.1	Very high	2 Å²	2	40 Å²	40	1%	0.013	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-64.3	159.6	175.7	29.9	-38	0	0	0	112.9	V469 A516 I519 N539 R542 V543	P466-V469 HydrophobicContact CG-CG2 3.87Å; P466-A516 VanDerWaalsContact CA-O 3.23Å; P466-A516 WeakPolarHBondContact CA-O 3.44Å; P466-A516 VanDerWaalsContact CB-O 3.31Å; P466-A516 WeakPolarHBondContact CB-O 3.27Å; P466-I519 HydrophobicContact CB-CD1 4.29Å; P466-I519 HydrophobicContact CB-CG1 4.05Å; P466-I519 HydrophobicContact CG-CD1 3.69Å; P466-I519 HydrophobicContact CG-CG1 3.96Å; P466-N539 WeakPolarHBondContact CD-O 3.42Å; P466-R542 CarbonylContact O-C 3.55Å; P466-V543 HydrophobicContact CG-CG2 3.85Å; P466-V543 WeakPolarHBondContact O-CA 3.46Å; P466-V543 WeakPolarHBondContact O-CG2 3.46Å; P466-V543 PolarHBondContact O-N 3.08Å; P466-V543 VanDerWaalsContact O-N 3.15Å
467	I	97.2	Very high	91.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	-86.8	-30.3	171.3	-65.7	164.8	0	0	0	110.3	I454 Q457 L460 E517 V543 T544 Y545	I454-I467 HydrophobicContact CB-CG2 4.43Å; I454-I467 HydrophobicContact CG1-CB 4.13Å; I454-I467 HydrophobicContact CG1-CG2 3.72Å; I454-I467 HydrophobicContact CG2-CD1 4.11Å; Q457-I467 HydrophobicContact CB-CD1 4.36Å; L460-I467 HydrophobicContact CD2-CD1 4.12Å; L460-I467 HydrophobicContact CD2-CG1 3.98Å; L460-I467 HydrophobicContact CG-CD1 4.47Å; I467-E517 PolarHBondContact N-O 3.07Å; I467-V543 WeakPolarHBondContact O-CA 3.4Å; I467-T544 WeakPolarHBondContact CG2-OG1 3.37Å; I467-T544 PolarHBondContact O-N 2.67Å; I467-Y545 PolarHBondContact O-N 2.92Å
468	S	97.6	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.5	179.3	-177.9	0	0	0	0	113.3	M450 E517 I518 I519 Y545	M450-S468 WeakPolarHBondContact CG-OG 3.28Å; M450-S468 PolarHBondContact SD-OG 2.97Å; S468-E517 PolarHBondContact N-O 3.03Å; S468-E517 VanDerWaalsContact N-O 3.14Å; S468-I518 WeakPolarHBondContact O-CA 3.42Å; S468-I519 PolarHBondContact O-N 2.77Å; S468-Y545 VanDerWaalsContact CA-O 3.31Å; S468-Y545 WeakPolarHBondContact CA-O 3.18Å; S468-Y545 WeakPolarHBondContact OG-CD1 3.34Å
469	V	97.6	Very high	91.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.8	172.4	176.3	0	0	0	0	109.9	P466 M471 L540 V543 Y545 V546 V547	P466-V469 HydrophobicContact CG-CG2 3.87Å; V469-M471 HydrophobicContact CG1-CG 4.25Å; V469-L540 HydrophobicContact CG2-CD2 4.26Å; V469-V543 HydrophobicContact CB-CG1 4.37Å; V469-V543 HydrophobicContact CG2-CG1 4.06Å; V469-V543 HydrophobicContact CG2-CG2 3.66Å; V469-Y545 PolarHBondContact N-O 3.02Å; V469-Y545 VanDerWaalsContact N-O 3.09Å; V469-V546 WeakPolarHBondContact O-CA 3.44Å; V469-V547 PolarHBondContact O-N 3.29Å
470	I	97.8	Very high	91.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.1	173	-58.9	159.7	0	0	0	108.2	F446 L447 M450 I481 I518 I519 V520 C521 V547	F446-I470 HydrophobicContact CD2-CD1 4.46Å; F446-I470 HydrophobicContact CE2-CD1 4.06Å; F446-I470 HydrophobicContact CE2-CG1 4.42Å; F446-I470 HydrophobicContact CE2-CG2 4.19Å; F446-I470 HydrophobicContact CZ-CG2 4.44Å; L447-I470 HydrophobicContact CD2-CD1 3.83Å; M450-I470 HydrophobicContact SD-CD1 3.84Å; M450-I470 HydrophobicContact SD-CG1 4.42Å; I470-I481 HydrophobicContact CD1-CG2 4.07Å; I470-I481 HydrophobicContact CG2-CD1 4.2Å; I470-I481 HydrophobicContact CG2-CG2 4.23Å; I470-I518 HydrophobicContact CD1-CG2 4.27Å; I470-I519 PolarHBondContact N-O 2.91Å; I470-V520 HydrophobicContact CB-CG1 4.31Å; I470-V520 HydrophobicContact CB-CG2 4.43Å; I470-V520 HydrophobicContact CD1-CG2 4.1Å; I470-V520 HydrophobicContact CG2-CG1 4.31Å; I470-V520 CarbonylContact O-C 3.58Å; I470-V520 WeakPolarHBondContact O-CA 3.2Å; I470-C521 PolarHBondContact O-N 3.03Å; I470-C521 PolarHBondContact O-SG 3.26Å; I470-V547 HydrophobicContact CB-CB 4.23Å; I470-V547 HydrophobicContact CG1-CB 3.9Å; I470-V547 HydrophobicContact CG1-CG2 3.96Å; I470-V547 HydrophobicContact CG2-CB 4.06Å; I470-V547 HydrophobicContact CG2-CG1 4.2Å
471	M	95.6	Very high	91.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.4	174.2	-75.8	173.9	-89.2	0	0	111.2	V469 C521 V546 V547 L548 D549 M554 V563 I566 V567	V469-M471 HydrophobicContact CG1-CG 4.25Å; M471-C521 WeakPolarHBondContact CA-O 3.33Å; M471-V546 HydrophobicContact CE-CG1 3.66Å; M471-V547 PolarHBondContact N-O 3.04Å; M471-L548 HydrophobicContact CB-CD2 4.04Å; M471-L548 HydrophobicContact CE-CD2 3.65Å; M471-L548 HydrophobicContact SD-CD2 4.17Å; M471-D549 PolarHBondContact O-N 3.41Å; M471-D549 VanDerWaalsContact O-N 3.08Å; M471-M554 HydrophobicContact CB-CE 4.38Å; M471-M554 HydrophobicContact CB-SD 4.15Å; M471-V563 HydrophobicContact SD-CG1 4.25Å; M471-V563 HydrophobicContact SD-CG2 4.42Å; M471-I566 HydrophobicContact CE-CG2 3.89Å; M471-I566 HydrophobicContact SD-CB 4.06Å; M471-I566 HydrophobicContact SD-CD1 3.85Å; M471-I566 HydrophobicContact SD-CG2 3.79Å; M471-V567 HydrophobicContact CE-CG2 4.01Å
472	T	92.9	Very high	91.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.			trans	-149.7	145.9	-177.3	155	0	0	0	0	110.7	T474 L477 A478 I481 V520 C521 T522 P523	T472-T474 PolarHBondContact O-N 3.15Å; T472-T474 PolarHBondContact OG1-N 3.18Å; T472-T474 PolarHBondContact OG1-O 3.15Å; T472-L477 WeakPolarHBondContact OG1-CB 3.29Å; T472-L477 WeakPolarHBondContact OG1-CD2 3.39Å; T472-L477 WeakPolarHBondContact OG1-CG 3.5Å; T472-A478 HydrophobicContact CG2-CB 3.68Å; T472-I481 HydrophobicContact CG2-CD1 4.46Å; T472-V520 HydrophobicContact CG2-CG1 4.24Å; T472-C521 VanDerWaalsContact CG2-O 3.25Å; T472-C521 WeakPolarHBondContact CG2-O 3.17Å; T472-C521 PolarHBondContact N-O 3.42Å; T472-T522 WeakPolarHBondContact O-CA 3.24Å; T472-P523 WeakPolarHBondContact O-CD 3.48Å
473	P	87.8	Confident	91.9	Very high	7 Å²	7	23.6 Å²	23.6	5%	0.045	13%	0.126	C	C	.	.	S	Bend	trans	-69.1	-25.3	-177.5	28.8	-38.3	0	0	0	114.8	D549 E550 R553 M554 F559	P473-D549 VanDerWaalsContact CD-O 3.31Å; P473-D549 WeakPolarHBondContact CD-O 3.3Å; P473-E550 HydrophobicContact CG-CB 3.67Å; P473-R553 HydrophobicContact CB-CB 3.94Å; P473-R553 HydrophobicContact CB-CG 3.9Å; P473-R553 HydrophobicContact CG-CB 3.95Å; P473-R553 HydrophobicContact CG-CG 4.24Å; P473-M554 HydrophobicContact CB-CG 3.83Å; P473-M554 HydrophobicContact CG-CG 4.33Å; P473-F559 HydrophobicContact CB-CE2 4.49Å
474	T	86.3	Confident	92.2	Very high	14 Å²	14	22.1 Å²	22.1	9%	0.086	10%	0.102	C	C	.	.			trans	-127.8	151.7	-173.7	72.7	0	0	0	0	114	T472 E476 L477 A478	T472-T474 PolarHBondContact O-N 3.15Å; T472-T474 PolarHBondContact OG1-N 3.18Å; T472-T474 PolarHBondContact OG1-O 3.15Å; T474-E476 VanDerWaalsContact C-N 3.35Å; T474-E476 WeakPolarHBondContact CB-OE2 3.25Å; T474-L477 PolarHBondContact O-N 3.45Å; T474-L477 WeakPolarHBondContact OG1-CB 3.46Å; T474-L477 PolarHBondContact OG1-N 2.94Å; T474-A478 PolarHBondContact O-N 3.28Å; T474-A478 VanDerWaalsContact O-N 3.11Å
475	R	87.2	Confident	92.5	Very high	72 Å²	72	20.3 Å²	20.3	27%	0.272	9%	0.093	S	C	.	.	H	α-helix	trans	-64.4	-42.9	-177.8	-59	173.2	-178.6	179.9	-3.8	110.5	L477 A478 L479 Y500 G501 T522	R475-L477 VanDerWaalsContact C-N 3.32Å; R475-L477 PolarHBondContact O-N 3.37Å; R475-A478 WeakPolarHBondContact O-CB 3.4Å; R475-A478 PolarHBondContact O-N 3.33Å; R475-L479 PolarHBondContact O-N 3.21Å; R475-Y500 HydrophobicContact CB-CD2 3.75Å; R475-Y500 HydrophobicContact CB-CG 4.41Å; R475-Y500 HydrophobicContact CG-CD2 4.01Å; R475-G501 WeakPolarHBondContact CD-O 3.46Å; R475-G501 VanDerWaalsContact CZ-O 3.3Å; R475-G501 PolarHBondContact NE-O 2.79Å; R475-T522 HydrophobicContact CG-CG2 4.29Å
476	E	84.6	Confident	92.6	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.061	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-39.5	179.3	-61.3	73.3	-167.3	0	0	111.5	T474 Q480 R678 I682	T474-E476 VanDerWaalsContact C-N 3.35Å; T474-E476 WeakPolarHBondContact CB-OE2 3.25Å; E476-Q480 WeakPolarHBondContact O-CB 3.34Å; E476-Q480 PolarHBondContact O-N 3.06Å; E476-Q480 VanDerWaalsContact O-N 3.07Å; E476-R678 IonicContact OE1-CZ 3.49Å; E476-R678 IonicContact OE1-NE 3.83Å; E476-R678 PolarHBondContact OE1-NE 2.83Å; E476-R678 IonicContact OE1-NH2 3.51Å; E476-R678 PolarHBondContact OE1-NH2 3.42Å; E476-R678 IonicContact OE2-NH2 3.15Å; E476-I682 HydrophobicContact CG-CD1 3.47Å; E476-I682 VanDerWaalsContact CG-CD1 3.47Å
477	L	87.3	Confident	92.4	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-74.6	-37.2	175.8	-177.2	51.9	0	0	0	111.8	T472 T474 R475 L479 Q480 I481 E550	T472-L477 WeakPolarHBondContact OG1-CB 3.29Å; T472-L477 WeakPolarHBondContact OG1-CD2 3.39Å; T472-L477 WeakPolarHBondContact OG1-CG 3.5Å; T474-L477 PolarHBondContact O-N 3.45Å; T474-L477 WeakPolarHBondContact OG1-CB 3.46Å; T474-L477 PolarHBondContact OG1-N 2.94Å; R475-L477 VanDerWaalsContact C-N 3.32Å; R475-L477 PolarHBondContact O-N 3.37Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-L479 PolarHBondContact O-N 3.27Å; L477-Q480 HydrophobicContact CD1-CB 4.49Å; L477-Q480 PolarHBondContact O-N 3.36Å; L477-Q480 VanDerWaalsContact O-N 3.15Å; L477-I481 HydrophobicContact CD1-CD1 3.82Å; L477-I481 HydrophobicContact CD1-CG1 3.8Å; L477-I481 HydrophobicContact CD2-CD1 4.47Å; L477-I481 HydrophobicContact CG-CD1 3.76Å; L477-I481 HydrophobicContact CG-CG1 4.24Å; L477-I481 WeakPolarHBondContact O-CG1 3.46Å; L477-I481 PolarHBondContact O-N 3.4Å; L477-E550 HydrophobicContact CD2-CB 4.15Å; L477-E550 HydrophobicContact CD2-CG 3.48Å; L477-E550 VanDerWaalsContact CD2-CG 3.48Å
478	A	92.1	Very high	92.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-45.4	173.8	0	0	0	0	0	111.5	T472 T474 R475 Q480 T482 C498 V520	T472-A478 HydrophobicContact CG2-CB 3.68Å; T474-A478 PolarHBondContact O-N 3.28Å; T474-A478 VanDerWaalsContact O-N 3.11Å; R475-A478 WeakPolarHBondContact O-CB 3.4Å; R475-A478 PolarHBondContact O-N 3.33Å; A478-Q480 VanDerWaalsContact C-N 3.34Å; A478-Q480 PolarHBondContact O-N 2.81Å; A478-T482 VanDerWaalsContact O-CB 3.23Å; A478-T482 WeakPolarHBondContact O-CB 3.35Å; A478-T482 PolarHBondContact O-N 3.19Å; A478-T482 PolarHBondContact O-OG1 3.18Å; A478-C498 VanDerWaalsContact C-SG 3.51Å; A478-V520 HydrophobicContact CB-CG1 4.07Å; A478-V520 WeakPolarHBondContact O-CG1 3.34Å
479	L	90.5	Very high	92.1	Very high	53 Å²	53	26.4 Å²	26.4	28%	0.277	12%	0.12	S	C	.	.	H	α-helix	trans	-62.8	-38.6	173.9	-73.5	171.3	0	0	0	112.3	R475 L477 K483 Y500	R475-L479 PolarHBondContact O-N 3.21Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-L479 PolarHBondContact O-N 3.27Å; L479-K483 VanDerWaalsContact O-CB 3.29Å; L479-K483 WeakPolarHBondContact O-CB 3.31Å; L479-K483 PolarHBondContact O-N 2.96Å; L479-Y500 HydrophobicContact CD1-CE2 4.11Å; L479-Y500 HydrophobicContact CD2-CE1 3.82Å; L479-Y500 HydrophobicContact CG-CE1 4.24Å; L479-Y500 HydrophobicContact CG-CE2 4.45Å
480	Q	89.7	Confident	91.7	Very high	49 Å²	49	34 Å²	34	23%	0.229	15%	0.153	C	C	.	.	H	α-helix	trans	-68.8	-48	178.5	-173.1	169.8	-76.9	0	0	113	E476 L477 A478 T482 K483 E484 G702	E476-Q480 WeakPolarHBondContact O-CB 3.34Å; E476-Q480 PolarHBondContact O-N 3.06Å; E476-Q480 VanDerWaalsContact O-N 3.07Å; L477-Q480 HydrophobicContact CD1-CB 4.49Å; L477-Q480 PolarHBondContact O-N 3.36Å; L477-Q480 VanDerWaalsContact O-N 3.15Å; A478-Q480 VanDerWaalsContact C-N 3.34Å; A478-Q480 PolarHBondContact O-N 2.81Å; Q480-T482 VanDerWaalsContact C-N 3.3Å; Q480-T482 PolarHBondContact O-N 3.09Å; Q480-K483 PolarHBondContact O-N 3.28Å; Q480-E484 PolarHBondContact O-N 3.2Å; Q480-G702 VanDerWaalsContact CD-O 3.32Å; Q480-G702 PolarHBondContact NE2-O 3.34Å; Q480-G702 PolarHBondContact OE1-O 3.41Å
481	I	94	Very high	91.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-41.9	174.8	-65.8	167	0	0	0	109.7	T443 F446 I470 T472 L477 K483 E484 C485 V520 D549	T443-I481 HydrophobicContact CG2-CG1 4.08Å; T443-I481 HydrophobicContact CG2-CG2 4.38Å; F446-I481 HydrophobicContact CE2-CG2 4.22Å; F446-I481 HydrophobicContact CZ-CD1 4.28Å; F446-I481 HydrophobicContact CZ-CG2 4.46Å; I470-I481 HydrophobicContact CD1-CG2 4.07Å; I470-I481 HydrophobicContact CG2-CD1 4.2Å; I470-I481 HydrophobicContact CG2-CG2 4.23Å; T472-I481 HydrophobicContact CG2-CD1 4.46Å; L477-I481 HydrophobicContact CD1-CD1 3.82Å; L477-I481 HydrophobicContact CD1-CG1 3.8Å; L477-I481 HydrophobicContact CD2-CD1 4.47Å; L477-I481 HydrophobicContact CG-CD1 3.76Å; L477-I481 HydrophobicContact CG-CG1 4.24Å; L477-I481 WeakPolarHBondContact O-CG1 3.46Å; L477-I481 PolarHBondContact O-N 3.4Å; I481-K483 VanDerWaalsContact C-N 3.34Å; I481-K483 PolarHBondContact O-N 2.97Å; I481-E484 PolarHBondContact O-N 3.31Å; I481-C485 WeakPolarHBondContact O-CB 3.46Å; I481-C485 PolarHBondContact O-N 2.82Å; I481-V520 HydrophobicContact CB-CG1 3.95Å; I481-V520 HydrophobicContact CG2-CG1 3.93Å; I481-V520 HydrophobicContact CG2-CG2 4.07Å; I481-D549 HydrophobicContact CD1-CB 4.29Å
482	T	95.1	Very high	91.2	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.043	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-44.9	173.3	-65.4	0	0	0	0	111.9	A478 Q480 E484 C485 K486 V496 C498 V520	A478-T482 VanDerWaalsContact O-CB 3.23Å; A478-T482 WeakPolarHBondContact O-CB 3.35Å; A478-T482 PolarHBondContact O-N 3.19Å; A478-T482 PolarHBondContact O-OG1 3.18Å; Q480-T482 VanDerWaalsContact C-N 3.3Å; Q480-T482 PolarHBondContact O-N 3.09Å; T482-E484 VanDerWaalsContact C-N 3.34Å; T482-E484 PolarHBondContact O-N 2.86Å; T482-C485 PolarHBondContact O-N 3.22Å; T482-K486 HydrophobicContact CG2-CD 3.8Å; T482-K486 HydrophobicContact CG2-CG 4.27Å; T482-K486 VanDerWaalsContact O-CB 3.3Å; T482-K486 WeakPolarHBondContact O-CB 3.29Å; T482-K486 VanDerWaalsContact O-CG 3.31Å; T482-K486 WeakPolarHBondContact O-CG 3.47Å; T482-K486 PolarHBondContact O-N 3.3Å; T482-V496 HydrophobicContact CG2-CG1 4.15Å; T482-C498 HydrophobicContact CG2-CB 4.11Å; T482-C498 WeakPolarHBondContact OG1-CB 3.29Å; T482-C498 PolarHBondContact OG1-SG 3.38Å; T482-V520 WeakPolarHBondContact OG1-CB 3.25Å; T482-V520 WeakPolarHBondContact OG1-CG2 3.44Å
483	K	92.9	Very high	91.2	Very high	164 Å²	164	40.1 Å²	40.1	71%	0.713	20%	0.203	S	C	*	.	H	α-helix	trans	-66.4	-34.1	179.4	-171.3	171.6	-174.4	169.5	0	112.5	L479 Q480 I481	L479-K483 VanDerWaalsContact O-CB 3.29Å; L479-K483 WeakPolarHBondContact O-CB 3.31Å; L479-K483 PolarHBondContact O-N 2.96Å; Q480-K483 PolarHBondContact O-N 3.28Å; I481-K483 VanDerWaalsContact C-N 3.34Å; I481-K483 PolarHBondContact O-N 2.97Å
484	E	92.4	Very high	91.5	Very high	34 Å²	34	40.8 Å²	40.8	16%	0.159	21%	0.206	C	C	.	.	H	α-helix	trans	-71	-50.5	173.4	-163.1	57.2	-128.4	0	0	111.1	Y412 T443 I444 L447 Q480 I481 T482 K486 K487	Y412-E484 PolarHBondContact OH-OE1 3.19Å; T443-E484 HydrophobicContact CG2-CB 4.41Å; T443-E484 HydrophobicContact CG2-CG 4.29Å; I444-E484 HydrophobicContact CD1-CG 3.82Å; L447-E484 HydrophobicContact CD1-CB 4.32Å; L447-E484 HydrophobicContact CD1-CG 4.18Å; Q480-E484 PolarHBondContact O-N 3.2Å; I481-E484 PolarHBondContact O-N 3.31Å; T482-E484 VanDerWaalsContact C-N 3.34Å; T482-E484 PolarHBondContact O-N 2.86Å; E484-K486 PolarHBondContact O-N 3.23Å; E484-K487 VanDerWaalsContact O-CB 3.28Å; E484-K487 WeakPolarHBondContact O-CB 3.27Å; E484-K487 WeakPolarHBondContact O-CG 3.47Å; E484-K487 PolarHBondContact O-N 3.4Å; E484-K487 WeakPolarHBondContact OE1-CD 3.28Å; E484-K487 VanDerWaalsContact OE1-CE 3.28Å; E484-K487 WeakPolarHBondContact OE1-CE 3.37Å; E484-K487 IonicContact OE1-NZ 3.7Å; E484-K487 PolarHBondContact OE1-NZ 3.31Å; E484-K487 VanDerWaalsContact OE2-CE 3.28Å; E484-K487 WeakPolarHBondContact OE2-CE 3.47Å; E484-K487 IonicContact OE2-NZ 3.04Å; E484-K487 PolarHBondContact OE2-NZ 3.47Å
485	C	95.3	Very high	91.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-45.7	178	-174.4	0	0	0	0	112.2	L447 I481 T482 K487 F488 S489 V496	L447-C485 HydrophobicContact CD1-CB 4.11Å; L447-C485 HydrophobicContact CD2-CB 3.94Å; I481-C485 WeakPolarHBondContact O-CB 3.46Å; I481-C485 PolarHBondContact O-N 2.82Å; T482-C485 PolarHBondContact O-N 3.22Å; C485-K487 PolarHBondContact O-N 3.19Å; C485-F488 PolarHBondContact O-N 3.03Å; C485-S489 WeakPolarHBondContact O-CB 3.37Å; C485-S489 PolarHBondContact O-N 2.85Å; C485-V496 HydrophobicContact CB-CG1 4.24Å; C485-V496 VanDerWaalsContact SG-CG2 3.56Å
486	K	94.6	Very high	92.3	Very high	64 Å²	64	41.8 Å²	41.8	28%	0.278	21%	0.208	S	C	.	.	H	α-helix	trans	-63.1	-7.6	176.9	-74.7	-178.6	179.7	179.3	0	114.3	T482 E484 K490 V496	T482-K486 HydrophobicContact CG2-CD 3.8Å; T482-K486 HydrophobicContact CG2-CG 4.27Å; T482-K486 VanDerWaalsContact O-CB 3.3Å; T482-K486 WeakPolarHBondContact O-CB 3.29Å; T482-K486 VanDerWaalsContact O-CG 3.31Å; T482-K486 WeakPolarHBondContact O-CG 3.47Å; T482-K486 PolarHBondContact O-N 3.3Å; E484-K486 PolarHBondContact O-N 3.23Å; K486-K490 WeakPolarHBondContact O-CD 3.42Å; K486-K490 WeakPolarHBondContact O-CG 3.35Å; K486-V496 WeakPolarHBondContact CE-O 3.43Å; K486-V496 HydrophobicContact CG-CB 3.91Å; K486-V496 HydrophobicContact CG-CG1 4.44Å; K486-V496 HydrophobicContact CG-CG2 4.18Å; K486-V496 PolarHBondContact NZ-O 3.33Å
487	K	92.6	Very high	92.8	Very high	65 Å²	65	41.4 Å²	41.4	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-74.6	-41.2	167.4	-59.7	-179.3	-164.6	165	0	112.2	E484 C485 P491	E484-K487 VanDerWaalsContact O-CB 3.28Å; E484-K487 WeakPolarHBondContact O-CB 3.27Å; E484-K487 WeakPolarHBondContact O-CG 3.47Å; E484-K487 PolarHBondContact O-N 3.4Å; E484-K487 WeakPolarHBondContact OE1-CD 3.28Å; E484-K487 VanDerWaalsContact OE1-CE 3.28Å; E484-K487 WeakPolarHBondContact OE1-CE 3.37Å; E484-K487 IonicContact OE1-NZ 3.7Å; E484-K487 PolarHBondContact OE1-NZ 3.31Å; E484-K487 VanDerWaalsContact OE2-CE 3.28Å; E484-K487 WeakPolarHBondContact OE2-CE 3.47Å; E484-K487 IonicContact OE2-NZ 3.04Å; E484-K487 PolarHBondContact OE2-NZ 3.47Å; C485-K487 PolarHBondContact O-N 3.19Å; K487-P491 WeakPolarHBondContact O-CD 3.39Å
488	F	93.4	Very high	93.2	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-96.4	-30.3	-173.6	-62.2	-86	0	0	0	112.6	L407 Y412 I444 L448 F451 C485 P491 L492	L407-F488 HydrophobicContact CD2-CE1 3.8Å; L407-F488 HydrophobicContact CD2-CZ 3.99Å; L407-F488 HydrophobicContact CG-CE1 3.99Å; Y412-F488 HydrophobicContact CD2-CZ 4.43Å; Y412-F488 AromaticContact CE2-CZ 4Å; Y412-F488 HydrophobicContact CE2-CZ 4Å; I444-F488 HydrophobicContact CD1-CE2 3.68Å; I444-F488 HydrophobicContact CD1-CZ 4.09Å; L448-F488 HydrophobicContact CD2-CD1 4.47Å; L448-F488 HydrophobicContact CD2-CE1 4.46Å; F451-F488 HydrophobicContact CD2-CB 3.97Å; F451-F488 HydrophobicContact CE1-CB 4.48Å; F451-F488 HydrophobicContact CE2-CB 3.29Å; F451-F488 HydrophobicContact CE2-CD2 4.3Å; F451-F488 AromaticContact CE2-CG 3.95Å; F451-F488 HydrophobicContact CE2-CG 3.95Å; F451-F488 HydrophobicContact CZ-CB 3.6Å; C485-F488 PolarHBondContact O-N 3.03Å; F488-P491 WeakPolarHBondContact O-CD 3.44Å; F488-L492 WeakPolarHBondContact O-CG 3.48Å
489	S	93.7	Very high	93.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-39.6	178.4	93.1	0	0	0	0	112.1	C485 L492 G493 L494 V496	C485-S489 WeakPolarHBondContact O-CB 3.37Å; C485-S489 PolarHBondContact O-N 2.85Å; S489-L492 CarbonylContact O-C 3.58Å; S489-L492 WeakPolarHBondContact O-CA 3.35Å; S489-L492 WeakPolarHBondContact O-CB 3.31Å; S489-L492 PolarHBondContact O-N 3.47Å; S489-G493 PolarHBondContact O-N 3.01Å; S489-L494 WeakPolarHBondContact CB-O 3.47Å; S489-L494 PolarHBondContact O-N 2.61Å; S489-L494 VanDerWaalsContact O-N 3.08Å; S489-L494 PolarHBondContact OG-O 2.88Å; S489-V496 WeakPolarHBondContact OG-CG2 3.08Å
490	K	90.5	Very high	93.5	Very high	159 Å²	159	40.5 Å²	40.5	69%	0.691	20%	0.201	S	C	*	.	H	α-helix	trans	-60	-46.9	-176.1	-74.5	-179.6	-178.8	-175.3	0	113.8	K486 L492 G493	K486-K490 WeakPolarHBondContact O-CD 3.42Å; K486-K490 WeakPolarHBondContact O-CG 3.35Å; K490-L492 PolarHBondContact O-N 3.09Å; K490-G493 PolarHBondContact O-N 2.93Å
491	P	90.9	Very high	93.5	Very high	54 Å²	54	38.9 Å²	38.9	35%	0.351	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-25.1	171	-27.7	35.8	0	0	0	115.3	K402 K487 F488	K402-P491 WeakPolarHBondContact CD-O 3.3Å; K402-P491 WeakPolarHBondContact CE-O 3.36Å; K402-P491 PolarHBondContact NZ-O 3.04Å; K487-P491 WeakPolarHBondContact O-CD 3.39Å; F488-P491 WeakPolarHBondContact O-CD 3.44Å
492	L	91.7	Very high	93	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-84.2	-28.7	178.9	-62.4	172.6	0	0	0	112.3	K402 I403 F451 M455 F488 S489 K490 L494	K402-L492 HydrophobicContact CB-CD2 4.16Å; K402-L492 HydrophobicContact CD-CD2 3.95Å; I403-L492 HydrophobicContact CD1-CD1 4.23Å; I403-L492 HydrophobicContact CD1-CD2 4.46Å; I403-L492 HydrophobicContact CG1-CD1 4.26Å; I403-L492 HydrophobicContact CG1-CD2 4.21Å; F451-L492 HydrophobicContact CB-CD1 3.74Å; F451-L492 HydrophobicContact CD1-CD1 3.87Å; F451-L492 HydrophobicContact CG-CD1 3.82Å; M455-L492 HydrophobicContact CG-CD2 4.46Å; M455-L492 HydrophobicContact SD-CB 4.19Å; M455-L492 HydrophobicContact SD-CD2 4.41Å; F488-L492 WeakPolarHBondContact O-CG 3.48Å; S489-L492 CarbonylContact O-C 3.58Å; S489-L492 WeakPolarHBondContact O-CA 3.35Å; S489-L492 WeakPolarHBondContact O-CB 3.31Å; S489-L492 PolarHBondContact O-N 3.47Å; K490-L492 PolarHBondContact O-N 3.09Å; L492-L494 HydrophobicContact CB-CD1 4.04Å; L492-L494 HydrophobicContact CB-CG 3.91Å; L492-L494 HydrophobicContact CD1-CD1 3.95Å
493	G	91.9	Very high	92.5	Very high	60 Å²	60	42.2 Å²	42.2	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.1	5.4	-173.1	0	0	0	0	0	113.6	S489 K490	S489-G493 PolarHBondContact O-N 3.01Å; K490-G493 PolarHBondContact O-N 2.93Å
494	L	94.4	Very high	92.1	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.105	22%	0.216	C	C	.	.			trans	-85.4	134.5	-173.5	-57.8	175.6	0	0	0	111.9	F451 I454 M455 S489 L492 E517 I518	F451-L494 HydrophobicContact CD1-CD1 4.01Å; I454-L494 HydrophobicContact CB-CD1 4.37Å; I454-L494 HydrophobicContact CG2-CD1 3.93Å; I454-L494 HydrophobicContact CG2-CD2 3.69Å; I454-L494 HydrophobicContact CG2-CG 4.46Å; M455-L494 HydrophobicContact CG-CD1 4.41Å; M455-L494 HydrophobicContact SD-CD1 4.26Å; M455-L494 HydrophobicContact SD-CD2 4.2Å; M455-L494 HydrophobicContact SD-CG 4.34Å; S489-L494 WeakPolarHBondContact CB-O 3.47Å; S489-L494 PolarHBondContact O-N 2.61Å; S489-L494 VanDerWaalsContact O-N 3.08Å; S489-L494 PolarHBondContact OG-O 2.88Å; L492-L494 HydrophobicContact CB-CD1 4.04Å; L492-L494 HydrophobicContact CB-CG 3.91Å; L492-L494 HydrophobicContact CD1-CD1 3.95Å; L494-E517 HydrophobicContact CD2-CB 4.27Å; L494-E517 HydrophobicContact CD2-CG 3.99Å; L494-I518 HydrophobicContact CB-CD1 4.43Å
495	R	94.8	Very high	92	Very high	103 Å²	103	38.5 Å²	38.5	39%	0.389	23%	0.226	S	C	.	.			trans	-88	145.4	177.9	-56.6	170.2	-75.9	-175.7	3.2	109.6	R514 G515 E517 I518	R495-R514 PolarHBondContact NH1-O 3.36Å; R495-G515 WeakPolarHBondContact CD-O 3.39Å; R495-G515 PolarHBondContact NE-O 3.31Å; R495-G515 VanDerWaalsContact NE-O 3.15Å; R495-G515 PolarHBondContact NH1-O 3.11Å; R495-E517 WeakPolarHBondContact CA-OE2 3.44Å; R495-E517 WeakPolarHBondContact CB-OE2 3.49Å; R495-E517 IonicContact CZ-OE1 3.24Å; R495-E517 VanDerWaalsContact CZ-OE1 3.24Å; R495-E517 PolarHBondContact N-OE2 3.22Å; R495-E517 IonicContact NE-OE1 3.01Å; R495-E517 PolarHBondContact NE-OE1 2.98Å; R495-E517 IonicContact NE-OE2 3.28Å; R495-E517 PolarHBondContact NE-OE2 3.33Å; R495-E517 IonicContact NH2-OE1 2.68Å; R495-E517 PolarHBondContact NH2-OE1 3.14Å; R495-I518 PolarHBondContact O-N 2.79Å
496	V	96.6	Very high	91.6	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.7	-175.2	-173.3	0	0	0	0	107.7	T482 C485 K486 S489 I518 V520	T482-V496 HydrophobicContact CG2-CG1 4.15Å; C485-V496 HydrophobicContact CB-CG1 4.24Å; C485-V496 VanDerWaalsContact SG-CG2 3.56Å; K486-V496 WeakPolarHBondContact CE-O 3.43Å; K486-V496 HydrophobicContact CG-CB 3.91Å; K486-V496 HydrophobicContact CG-CG1 4.44Å; K486-V496 HydrophobicContact CG-CG2 4.18Å; K486-V496 PolarHBondContact NZ-O 3.33Å; S489-V496 WeakPolarHBondContact OG-CG2 3.08Å; V496-I518 WeakPolarHBondContact CA-O 3.45Å; V496-I518 HydrophobicContact CG1-CB 4.33Å; V496-I518 HydrophobicContact CG1-CG2 4.1Å; V496-I518 HydrophobicContact CG2-CB 4.26Å; V496-I518 HydrophobicContact CG2-CD1 3.96Å; V496-V520 HydrophobicContact CG1-CG2 4.17Å
497	V	95.4	Very high	91.4	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.5	-177.8	177.4	0	0	0	0	109.6	V499 E511 L512 A516 I518 V520	V497-V499 HydrophobicContact CG1-CG2 4.08Å; V497-E511 HydrophobicContact CB-CB 4.41Å; V497-E511 HydrophobicContact CG1-CB 3.71Å; V497-E511 HydrophobicContact CG2-CB 3.77Å; V497-L512 HydrophobicContact CB-CD2 4.2Å; V497-L512 HydrophobicContact CG1-CD2 3.8Å; V497-L512 HydrophobicContact CG1-CG 4.07Å; V497-A516 HydrophobicContact CB-CB 4.05Å; V497-A516 HydrophobicContact CG2-CB 3.46Å; V497-A516 VanDerWaalsContact CG2-CB 3.46Å; V497-I518 PolarHBondContact N-O 3.15Å; V497-V520 PolarHBondContact O-N 2.87Å
498	C	95.4	Very high	91.4	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.068	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.8	-177.8	-165.6	0	0	0	0	109.8	A478 T482 Y500 V520	A478-C498 VanDerWaalsContact C-SG 3.51Å; T482-C498 HydrophobicContact CG2-CB 4.11Å; T482-C498 WeakPolarHBondContact OG1-CB 3.29Å; T482-C498 PolarHBondContact OG1-SG 3.38Å; C498-Y500 HydrophobicContact CB-CD1 4.23Å; C498-Y500 HydrophobicContact CB-CE1 4.25Å; C498-Y500 VanDerWaalsContact SG-CD1 3.55Å; C498-V520 CarbonylContact C-O 3.58Å; C498-V520 WeakPolarHBondContact CA-O 3.4Å
499	V	94.9	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	100.2	-170.7	176.1	0	0	0	0	109.6	V497 L512 I519 V520 C521 T522 R525 M526 M529	V497-V499 HydrophobicContact CG1-CG2 4.08Å; V499-L512 HydrophobicContact CG2-CD1 4.09Å; V499-L512 HydrophobicContact CG2-CD2 4.2Å; V499-L512 HydrophobicContact CG2-CG 4.41Å; V499-I519 HydrophobicContact CB-CG2 4.24Å; V499-I519 HydrophobicContact CG2-CG2 3.89Å; V499-V520 PolarHBondContact N-O 3.02Å; V499-C521 HydrophobicContact CB-CB 3.89Å; V499-C521 HydrophobicContact CG1-CB 4.4Å; V499-C521 WeakPolarHBondContact O-CA 3.32Å; V499-C521 WeakPolarHBondContact O-CB 3.42Å; V499-T522 PolarHBondContact O-N 3.48Å; V499-R525 HydrophobicContact CG1-CB 4.39Å; V499-R525 HydrophobicContact CG1-CG 3.8Å; V499-M526 HydrophobicContact CB-SD 4.4Å; V499-M526 HydrophobicContact CG1-SD 4.03Å; V499-M529 HydrophobicContact CG1-CB 4.38Å; V499-M529 HydrophobicContact CG1-CG 3.54Å
500	Y	93.4	Very high	91.1	Very high	30 Å²	30	45.5 Å²	45.5	12%	0.118	27%	0.274	C	S	.	.			trans	-148.3	149	-171.3	66.2	-76	0	0	0	112.7	R475 L479 C498 T503 Q508 T522 R525	R475-Y500 HydrophobicContact CB-CD2 3.75Å; R475-Y500 HydrophobicContact CB-CG 4.41Å; R475-Y500 HydrophobicContact CG-CD2 4.01Å; L479-Y500 HydrophobicContact CD1-CE2 4.11Å; L479-Y500 HydrophobicContact CD2-CE1 3.82Å; L479-Y500 HydrophobicContact CG-CE1 4.24Å; L479-Y500 HydrophobicContact CG-CE2 4.45Å; C498-Y500 HydrophobicContact CB-CD1 4.23Å; C498-Y500 HydrophobicContact CB-CE1 4.25Å; C498-Y500 VanDerWaalsContact SG-CD1 3.55Å; Y500-T503 HydrophobicContact CE2-CG2 3.65Å; Y500-Q508 PolarHBondContact O-NE2 2.97Å; Y500-Q508 PolarHBondContact O-OE1 2.84Å; Y500-T522 WeakPolarHBondContact CA-OG1 3.28Å; Y500-R525 PolarHBondContact O-NH1 3.37Å; Y500-R525 VanDerWaalsContact O-NH1 3.08Å
501	G	88.9	Confident	91.1	Very high	14 Å²	14	41 Å²	41	14%	0.144	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	165.6	-178.1	0	0	0	0	0	113.4	R475	R475-G501 WeakPolarHBondContact CD-O 3.46Å; R475-G501 VanDerWaalsContact CZ-O 3.3Å; R475-G501 PolarHBondContact NE-O 2.79Å
502	G	83.6	Confident	91.2	Very high	37 Å²	37	38.9 Å²	38.9	38%	0.381	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-2.4	174.8	0	0	0	0	0	115.9	Q675	G502-Q675 VanDerWaalsContact O-CB 3.25Å; G502-Q675 WeakPolarHBondContact O-CB 3.3Å
503	T	84.9	Confident	91.1	Very high	41 Å²	41	44.3 Å²	44.3	25%	0.252	26%	0.264	S	S	.	.	S	Bend	trans	-119.3	160.1	165.8	75.4	0	0	0	0	110.4	Y500 I505 Q508 R525 Q675	Y500-T503 HydrophobicContact CE2-CG2 3.65Å; T503-I505 PolarHBondContact O-N 3.43Å; T503-Q508 PolarHBondContact OG1-NE2 3.43Å; T503-R525 PolarHBondContact O-NH1 3.47Å; T503-R525 PolarHBondContact O-NH2 3.15Å; T503-Q675 HydrophobicContact CG2-CG 4.09Å
504	G	84.4	Confident	91	Very high	51 Å²	51	49.7 Å²	49.7	53%	0.526	27%	0.266	S	S	.	.			trans	-48.5	135.9	175.1	0	0	0	0	0	112.5
505	I	89.6	Confident	90.8	Very high	70 Å²	70	49.4 Å²	49.4	36%	0.359	27%	0.267	S	S	.	.	H	α-helix	trans	-76	-26.6	-174.9	-160.7	176.6	0	0	0	112.3	T503 Q508 I509 M529	T503-I505 PolarHBondContact O-N 3.43Å; I505-Q508 PolarHBondContact O-N 3.12Å; I505-I509 HydrophobicContact CD1-CD1 4.22Å; I505-I509 HydrophobicContact CG1-CD1 3.91Å; I505-I509 HydrophobicContact CG1-CG1 4.24Å; I505-I509 HydrophobicContact CG2-CD1 4.35Å; I505-I509 WeakPolarHBondContact O-CG1 3.15Å; I505-I509 PolarHBondContact O-N 3.01Å; I505-M529 HydrophobicContact CD1-CE 4.22Å; I505-M529 HydrophobicContact CG1-CE 3.44Å; I505-M529 VanDerWaalsContact CG1-CE 3.44Å; I505-M529 HydrophobicContact CG1-SD 4.33Å
506	S	88.6	Confident	90.8	Very high	69 Å²	69	44.7 Å²	44.7	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-46.5	-175.6	49.5	0	0	0	0	113.6	I509 A510	S506-I509 PolarHBondContact O-N 3.38Å; S506-A510 WeakPolarHBondContact O-CB 2.99Å; S506-A510 PolarHBondContact O-N 2.8Å
507	E	89.7	Confident	90.8	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.654	25%	0.253	S	S	*	.	H	α-helix	trans	-64.2	-43.9	178	-174.2	178.8	-152.5	0	0	111.7	I509 A510 E511	E507-I509 PolarHBondContact O-N 2.83Å; E507-A510 CarbonylContact O-C 3.45Å; E507-A510 PolarHBondContact O-N 3.33Å; E507-A510 VanDerWaalsContact O-N 3.1Å; E507-E511 PolarHBondContact O-N 2.85Å
508	Q	92.2	Very high	90.9	Very high	8 Å²	8	45 Å²	45	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-41.1	177.8	-66.3	178.4	7.4	0	0	111.1	Y500 T503 I505 A510 E511 L512 M529	Y500-Q508 PolarHBondContact O-NE2 2.97Å; Y500-Q508 PolarHBondContact O-OE1 2.84Å; T503-Q508 PolarHBondContact OG1-NE2 3.43Å; I505-Q508 PolarHBondContact O-N 3.12Å; Q508-A510 VanDerWaalsContact C-N 3.32Å; Q508-A510 PolarHBondContact O-N 2.66Å; Q508-E511 PolarHBondContact O-N 3.21Å; Q508-L512 VanDerWaalsContact O-CG 3.3Å; Q508-L512 WeakPolarHBondContact O-CG 3.31Å; Q508-L512 PolarHBondContact O-N 3.29Å; Q508-M529 HydrophobicContact CB-CE 3.39Å; Q508-M529 HydrophobicContact CG-CE 4.41Å
509	I	91.3	Very high	91	Very high	26 Å²	26	44.5 Å²	44.5	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-40.7	171.2	-70.8	170.8	0	0	0	111.1	I505 S506 E507 L512 K513 M529 V537	I505-I509 HydrophobicContact CD1-CD1 4.22Å; I505-I509 HydrophobicContact CG1-CD1 3.91Å; I505-I509 HydrophobicContact CG1-CG1 4.24Å; I505-I509 HydrophobicContact CG2-CD1 4.35Å; I505-I509 WeakPolarHBondContact O-CG1 3.15Å; I505-I509 PolarHBondContact O-N 3.01Å; S506-I509 PolarHBondContact O-N 3.38Å; E507-I509 PolarHBondContact O-N 2.83Å; I509-L512 PolarHBondContact O-N 2.86Å; I509-K513 HydrophobicContact CG2-CD 4Å; I509-K513 HydrophobicContact CG2-CG 4.22Å; I509-K513 WeakPolarHBondContact O-CB 3.49Å; I509-K513 WeakPolarHBondContact O-CG 3.25Å; I509-K513 PolarHBondContact O-N 2.9Å; I509-M529 HydrophobicContact CG1-CE 4.1Å; I509-M529 HydrophobicContact CG1-SD 3.66Å; I509-V537 HydrophobicContact CB-CG1 4.39Å; I509-V537 HydrophobicContact CD1-CG2 4.34Å; I509-V537 HydrophobicContact CG1-CG1 3.96Å; I509-V537 HydrophobicContact CG1-CG2 4.17Å; I509-V537 HydrophobicContact CG2-CG1 4.26Å; I509-V537 HydrophobicContact CG2-CG2 4.11Å
510	A	90.3	Very high	91.1	Very high	37 Å²	37	44.5 Å²	44.5	31%	0.306	25%	0.248	S	C	.	.	H	α-helix	trans	-72.9	-29.1	179.6	0	0	0	0	0	113.5	S506 E507 Q508 R514	S506-A510 WeakPolarHBondContact O-CB 2.99Å; S506-A510 PolarHBondContact O-N 2.8Å; E507-A510 CarbonylContact O-C 3.45Å; E507-A510 PolarHBondContact O-N 3.33Å; E507-A510 VanDerWaalsContact O-N 3.1Å; Q508-A510 VanDerWaalsContact C-N 3.32Å; Q508-A510 PolarHBondContact O-N 2.66Å; A510-R514 VanDerWaalsContact O-CD 3.27Å; A510-R514 WeakPolarHBondContact O-CD 3.48Å; A510-R514 VanDerWaalsContact O-CG 3.28Å; A510-R514 WeakPolarHBondContact O-CG 3.43Å; A510-R514 PolarHBondContact O-NE 3.3Å; A510-R514 PolarHBondContact O-NH1 2.94Å; A510-R514 VanDerWaalsContact O-NH1 3.1Å
511	E	91.2	Very high	91.2	Very high	65 Å²	65	43 Å²	43	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-68.8	-45.1	166.4	-76.5	-145.9	133.6	0	0	111.2	V497 E507 Q508 R514	V497-E511 HydrophobicContact CB-CB 4.41Å; V497-E511 HydrophobicContact CG1-CB 3.71Å; V497-E511 HydrophobicContact CG2-CB 3.77Å; E507-E511 PolarHBondContact O-N 2.85Å; Q508-E511 PolarHBondContact O-N 3.21Å; E511-R514 PolarHBondContact O-N 2.86Å
512	L	92	Very high	91.4	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-45.3	-179.6	-70	174.6	0	0	0	113.2	V497 V499 Q508 I509 R514 G515 I519 M529 V537 T538	V497-L512 HydrophobicContact CB-CD2 4.2Å; V497-L512 HydrophobicContact CG1-CD2 3.8Å; V497-L512 HydrophobicContact CG1-CG 4.07Å; V499-L512 HydrophobicContact CG2-CD1 4.09Å; V499-L512 HydrophobicContact CG2-CD2 4.2Å; V499-L512 HydrophobicContact CG2-CG 4.41Å; Q508-L512 VanDerWaalsContact O-CG 3.3Å; Q508-L512 WeakPolarHBondContact O-CG 3.31Å; Q508-L512 PolarHBondContact O-N 3.29Å; I509-L512 PolarHBondContact O-N 2.86Å; L512-R514 PolarHBondContact O-N 3.12Å; L512-R514 VanDerWaalsContact O-N 3.16Å; L512-G515 WeakPolarHBondContact O-CA 3.2Å; L512-G515 PolarHBondContact O-N 3.19Å; L512-I519 HydrophobicContact CD2-CD1 3.41Å; L512-I519 VanDerWaalsContact CD2-CD1 3.41Å; L512-I519 HydrophobicContact CD2-CG1 3.91Å; L512-M529 HydrophobicContact CD1-CB 4.1Å; L512-M529 HydrophobicContact CD1-CG 3.81Å; L512-M529 HydrophobicContact CD1-SD 3.67Å; L512-V537 HydrophobicContact CB-CG1 4.17Å; L512-V537 HydrophobicContact CD1-CG1 3.87Å; L512-T538 HydrophobicContact CD1-CG2 4.22Å
513	K	89.9	Confident	91.9	Very high	130 Å²	130	41.4 Å²	41.4	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-61	-22.7	178.2	-79.7	-174.6	175.8	-175.3	0	113.9	I509 G515	I509-K513 HydrophobicContact CG2-CD 4Å; I509-K513 HydrophobicContact CG2-CG 4.22Å; I509-K513 WeakPolarHBondContact O-CB 3.49Å; I509-K513 WeakPolarHBondContact O-CG 3.25Å; I509-K513 PolarHBondContact O-N 2.9Å; K513-G515 PolarHBondContact O-N 2.88Å
514	R	90.1	Very high	92.2	Very high	174 Å²	174	40.7 Å²	40.7	66%	0.657	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.5	173.4	-70.1	167.4	-177.2	129.5	-3.7	112.4	R495 A510 E511 L512	R495-R514 PolarHBondContact NH1-O 3.36Å; A510-R514 VanDerWaalsContact O-CD 3.27Å; A510-R514 WeakPolarHBondContact O-CD 3.48Å; A510-R514 VanDerWaalsContact O-CG 3.28Å; A510-R514 WeakPolarHBondContact O-CG 3.43Å; A510-R514 PolarHBondContact O-NE 3.3Å; A510-R514 PolarHBondContact O-NH1 2.94Å; A510-R514 VanDerWaalsContact O-NH1 3.1Å; E511-R514 PolarHBondContact O-N 2.86Å; L512-R514 PolarHBondContact O-N 3.12Å; L512-R514 VanDerWaalsContact O-N 3.16Å
515	G	89.9	Confident	92.6	Very high	13 Å²	13	39.8 Å²	39.8	13%	0.134	20%	0.204	C	C	.	.			trans	91.7	137	-172.3	0	0	0	0	0	112.2	R495 L512 K513	R495-G515 WeakPolarHBondContact CD-O 3.39Å; R495-G515 PolarHBondContact NE-O 3.31Å; R495-G515 VanDerWaalsContact NE-O 3.15Å; R495-G515 PolarHBondContact NH1-O 3.11Å; L512-G515 WeakPolarHBondContact O-CA 3.2Å; L512-G515 PolarHBondContact O-N 3.19Å; K513-G515 PolarHBondContact O-N 2.88Å
516	A	94.1	Very high	92.8	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	19%	0.187	C	C	.	.			trans	-144.6	114.7	-176.4	0	0	0	0	0	110.9	L460 P466 V497 I518	L460-A516 WeakPolarHBondContact CD1-O 3.01Å; P466-A516 VanDerWaalsContact CA-O 3.23Å; P466-A516 WeakPolarHBondContact CA-O 3.44Å; P466-A516 VanDerWaalsContact CB-O 3.31Å; P466-A516 WeakPolarHBondContact CB-O 3.27Å; V497-A516 HydrophobicContact CB-CB 4.05Å; V497-A516 HydrophobicContact CG2-CB 3.46Å; V497-A516 VanDerWaalsContact CG2-CB 3.46Å; A516-I518 PolarHBondContact O-N 3.34Å
517	E	96.3	Very high	92.9	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.07	17%	0.168	C	C	.	.	S	Bend	trans	-69.1	-27.2	179.9	-64.1	71.6	-142.3	0	0	112.3	I454 L460 I467 S468 L494 R495	I454-E517 HydrophobicContact CG2-CB 4.17Å; I454-E517 HydrophobicContact CG2-CG 4.5Å; L460-E517 HydrophobicContact CD1-CB 4.49Å; L460-E517 HydrophobicContact CD1-CG 4.04Å; L460-E517 HydrophobicContact CG-CG 4.14Å; I467-E517 PolarHBondContact N-O 3.07Å; S468-E517 PolarHBondContact N-O 3.03Å; S468-E517 VanDerWaalsContact N-O 3.14Å; L494-E517 HydrophobicContact CD2-CB 4.27Å; L494-E517 HydrophobicContact CD2-CG 3.99Å; R495-E517 WeakPolarHBondContact CA-OE2 3.44Å; R495-E517 WeakPolarHBondContact CB-OE2 3.49Å; R495-E517 IonicContact CZ-OE1 3.24Å; R495-E517 VanDerWaalsContact CZ-OE1 3.24Å; R495-E517 PolarHBondContact N-OE2 3.22Å; R495-E517 IonicContact NE-OE1 3.01Å; R495-E517 PolarHBondContact NE-OE1 2.98Å; R495-E517 IonicContact NE-OE2 3.28Å; R495-E517 PolarHBondContact NE-OE2 3.33Å; R495-E517 IonicContact NH2-OE1 2.68Å; R495-E517 PolarHBondContact NH2-OE1 3.14Å
518	I	97.8	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.5	-177.6	-58.2	153.5	0	0	0	109.5	M450 F451 I454 S468 I470 L494 R495 V496 V497 A516 V520	M450-I518 HydrophobicContact CE-CD1 3.51Å; M450-I518 HydrophobicContact CE-CG1 3.93Å; M450-I518 HydrophobicContact CE-CG2 4.21Å; M450-I518 HydrophobicContact SD-CD1 4.46Å; M450-I518 HydrophobicContact SD-CG1 4.23Å; M450-I518 HydrophobicContact SD-CG2 4.07Å; F451-I518 HydrophobicContact CD1-CD1 4.25Å; F451-I518 HydrophobicContact CE1-CD1 3.84Å; I454-I518 HydrophobicContact CD1-CD1 3.75Å; I454-I518 HydrophobicContact CD1-CG1 3.36Å; S468-I518 WeakPolarHBondContact O-CA 3.42Å; I470-I518 HydrophobicContact CD1-CG2 4.27Å; L494-I518 HydrophobicContact CB-CD1 4.43Å; R495-I518 PolarHBondContact O-N 2.79Å; V496-I518 WeakPolarHBondContact CA-O 3.45Å; V496-I518 HydrophobicContact CG1-CB 4.33Å; V496-I518 HydrophobicContact CG1-CG2 4.1Å; V496-I518 HydrophobicContact CG2-CB 4.26Å; V496-I518 HydrophobicContact CG2-CD1 3.96Å; V497-I518 PolarHBondContact N-O 3.15Å; A516-I518 PolarHBondContact O-N 3.34Å; I518-V520 HydrophobicContact CG2-CG2 4.49Å
519	I	97.5	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	164.8	-66.8	-178.6	0	0	0	109.5	P466 S468 I470 V499 L512 C521 M526	P466-I519 HydrophobicContact CB-CD1 4.29Å; P466-I519 HydrophobicContact CB-CG1 4.05Å; P466-I519 HydrophobicContact CG-CD1 3.69Å; P466-I519 HydrophobicContact CG-CG1 3.96Å; S468-I519 PolarHBondContact O-N 2.77Å; I470-I519 PolarHBondContact N-O 2.91Å; V499-I519 HydrophobicContact CB-CG2 4.24Å; V499-I519 HydrophobicContact CG2-CG2 3.89Å; L512-I519 HydrophobicContact CD2-CD1 3.41Å; L512-I519 VanDerWaalsContact CD2-CD1 3.41Å; L512-I519 HydrophobicContact CD2-CG1 3.91Å; I519-C521 HydrophobicContact CG2-CB 3.84Å; I519-M526 HydrophobicContact CD1-CE 3.7Å; I519-M526 HydrophobicContact CD1-SD 4.23Å; I519-M526 HydrophobicContact CG2-SD 3.98Å
520	V	97.6	Very high	92.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.4	163.5	-170.3	0	0	0	0	107.6	I470 T472 A478 I481 T482 V496 V497 C498 V499 I518	I470-V520 HydrophobicContact CB-CG1 4.31Å; I470-V520 HydrophobicContact CB-CG2 4.43Å; I470-V520 HydrophobicContact CD1-CG2 4.1Å; I470-V520 HydrophobicContact CG2-CG1 4.31Å; I470-V520 CarbonylContact O-C 3.58Å; I470-V520 WeakPolarHBondContact O-CA 3.2Å; T472-V520 HydrophobicContact CG2-CG1 4.24Å; A478-V520 HydrophobicContact CB-CG1 4.07Å; A478-V520 WeakPolarHBondContact O-CG1 3.34Å; I481-V520 HydrophobicContact CB-CG1 3.95Å; I481-V520 HydrophobicContact CG2-CG1 3.93Å; I481-V520 HydrophobicContact CG2-CG2 4.07Å; T482-V520 WeakPolarHBondContact OG1-CB 3.25Å; T482-V520 WeakPolarHBondContact OG1-CG2 3.44Å; V496-V520 HydrophobicContact CG1-CG2 4.17Å; V497-V520 PolarHBondContact O-N 2.87Å; C498-V520 CarbonylContact C-O 3.58Å; C498-V520 WeakPolarHBondContact CA-O 3.4Å; V499-V520 PolarHBondContact N-O 3.02Å; I518-V520 HydrophobicContact CG2-CG2 4.49Å
521	C	95.7	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.3	-167.6	64.9	0	0	0	0	115.9	I470 M471 T472 V499 I519 M526	I470-C521 PolarHBondContact O-N 3.03Å; I470-C521 PolarHBondContact O-SG 3.26Å; M471-C521 WeakPolarHBondContact CA-O 3.33Å; T472-C521 VanDerWaalsContact CG2-O 3.25Å; T472-C521 WeakPolarHBondContact CG2-O 3.17Å; T472-C521 PolarHBondContact N-O 3.42Å; V499-C521 HydrophobicContact CB-CB 3.89Å; V499-C521 HydrophobicContact CG1-CB 4.4Å; V499-C521 WeakPolarHBondContact O-CA 3.32Å; V499-C521 WeakPolarHBondContact O-CB 3.42Å; I519-C521 HydrophobicContact CG2-CB 3.84Å; C521-M526 HydrophobicContact CB-CB 4.01Å; C521-M526 HydrophobicContact CB-CG 4.31Å; C521-M526 HydrophobicContact CB-SD 4.21Å
522	T	93.8	Very high	92.1	Very high	16 Å²	16	26 Å²	26	10%	0.098	14%	0.138	C	C	.	.			trans	-91.6	133.4	160.3	59.6	0	0	0	0	109.2	T472 R475 V499 Y500 G524 R525 M526	T472-T522 WeakPolarHBondContact O-CA 3.24Å; R475-T522 HydrophobicContact CG-CG2 4.29Å; V499-T522 PolarHBondContact O-N 3.48Å; Y500-T522 WeakPolarHBondContact CA-OG1 3.28Å; T522-G524 PolarHBondContact O-N 3.2Å; T522-R525 PolarHBondContact O-N 3.43Å; T522-M526 PolarHBondContact O-N 3.3Å
523	P	92.6	Very high	91.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-47.9	-52.5	-170.5	-32.8	36.3	0	0	0	115.6	T472 R525 M526 I527 M554 F559 Q562 V563 I566	T472-P523 WeakPolarHBondContact O-CD 3.48Å; P523-R525 PolarHBondContact O-N 3.4Å; P523-M526 WeakPolarHBondContact O-CA 3.21Å; P523-M526 WeakPolarHBondContact O-CB 3.36Å; P523-M526 PolarHBondContact O-N 3.02Å; P523-I527 PolarHBondContact O-N 3.08Å; P523-M554 HydrophobicContact CG-SD 4.2Å; P523-F559 HydrophobicContact CG-CB 4.47Å; P523-Q562 HydrophobicContact CB-CB 3.73Å; P523-V563 HydrophobicContact CB-CG2 4.47Å; P523-V563 HydrophobicContact CG-CG2 3.86Å; P523-I566 HydrophobicContact CB-CD1 3.89Å
524	G	91.6	Very high	90.4	Very high	26 Å²	26	29.3 Å²	29.3	27%	0.268	17%	0.171	S	C	.	.	H	α-helix	trans	-55.1	-49.1	-177	0	0	0	0	0	114.6	T522 M526 I527 D528 Q562	T522-G524 PolarHBondContact O-N 3.2Å; G524-M526 VanDerWaalsContact C-N 3.29Å; G524-M526 PolarHBondContact O-N 3.16Å; G524-I527 WeakPolarHBondContact O-CB 3.36Å; G524-I527 PolarHBondContact O-N 2.89Å; G524-D528 PolarHBondContact O-N 3.08Å; G524-Q562 VanDerWaalsContact CA-OE1 3.31Å; G524-Q562 VanDerWaalsContact N-OE1 3.11Å
525	R	92.1	Very high	89.3	Confident	32 Å²	32	22.4 Å²	22.4	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-70.4	-24.5	177.6	-178.4	61.4	75	87.8	-13.4	112.5	V499 Y500 T503 T522 P523 D528 M529	V499-R525 HydrophobicContact CG1-CB 4.39Å; V499-R525 HydrophobicContact CG1-CG 3.8Å; Y500-R525 PolarHBondContact O-NH1 3.37Å; Y500-R525 VanDerWaalsContact O-NH1 3.08Å; T503-R525 PolarHBondContact O-NH1 3.47Å; T503-R525 PolarHBondContact O-NH2 3.15Å; T522-R525 PolarHBondContact O-N 3.43Å; P523-R525 PolarHBondContact O-N 3.4Å; R525-D528 IonicContact NE-OD2 3.44Å; R525-D528 PolarHBondContact O-N 3.4Å; R525-M529 WeakPolarHBondContact O-CG 3.49Å; R525-M529 PolarHBondContact O-N 2.89Å
526	M	94.1	Very high	88.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.1	-37.6	172	-167	61.1	-163.8	0	0	111.5	V499 I519 C521 T522 P523 G524 M529 L530 T538 L540 I566	V499-M526 HydrophobicContact CB-SD 4.4Å; V499-M526 HydrophobicContact CG1-SD 4.03Å; I519-M526 HydrophobicContact CD1-CE 3.7Å; I519-M526 HydrophobicContact CD1-SD 4.23Å; I519-M526 HydrophobicContact CG2-SD 3.98Å; C521-M526 HydrophobicContact CB-CB 4.01Å; C521-M526 HydrophobicContact CB-CG 4.31Å; C521-M526 HydrophobicContact CB-SD 4.21Å; T522-M526 PolarHBondContact O-N 3.3Å; P523-M526 WeakPolarHBondContact O-CA 3.21Å; P523-M526 WeakPolarHBondContact O-CB 3.36Å; P523-M526 PolarHBondContact O-N 3.02Å; G524-M526 VanDerWaalsContact C-N 3.29Å; G524-M526 PolarHBondContact O-N 3.16Å; M526-M529 PolarHBondContact O-N 3.26Å; M526-L530 HydrophobicContact CE-CD1 4.17Å; M526-L530 HydrophobicContact CE-CD2 4.2Å; M526-L530 HydrophobicContact CE-CG 4.07Å; M526-L530 HydrophobicContact CG-CD1 4.16Å; M526-L530 VanDerWaalsContact O-CG 3.31Å; M526-L530 WeakPolarHBondContact O-CG 3.21Å; M526-L530 PolarHBondContact O-N 3.21Å; M526-T538 HydrophobicContact CE-CG2 3.96Å; M526-L540 HydrophobicContact CE-CD2 3.75Å; M526-I566 HydrophobicContact CB-CD1 3.95Å; M526-I566 HydrophobicContact CG-CD1 4.25Å
527	I	91.8	Very high	88.2	Confident	16 Å²	16	32 Å²	32	8%	0.082	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-44.3	171.5	-66.5	171.9	0	0	0	110.6	L338 P523 G524 M529 L530 G531 Q562 R565 I566	L338-I527 HydrophobicContact CD1-CB 4.32Å; L338-I527 HydrophobicContact CD1-CG1 4.06Å; L338-I527 HydrophobicContact CD1-CG2 4.04Å; L338-I527 HydrophobicContact CG-CG2 4.14Å; P523-I527 PolarHBondContact O-N 3.08Å; G524-I527 WeakPolarHBondContact O-CB 3.36Å; G524-I527 PolarHBondContact O-N 2.89Å; I527-M529 VanDerWaalsContact C-N 3.31Å; I527-M529 PolarHBondContact O-N 2.93Å; I527-L530 PolarHBondContact O-N 3.01Å; I527-G531 PolarHBondContact O-N 3.33Å; I527-Q562 HydrophobicContact CD1-CB 3.7Å; I527-Q562 HydrophobicContact CD1-CG 4.05Å; I527-R565 HydrophobicContact CD1-CB 4.38Å; I527-I566 HydrophobicContact CG1-CD1 4.15Å; I527-I566 HydrophobicContact CG1-CG1 3.93Å
528	D	90.6	Very high	87.8	Confident	43 Å²	43	31.9 Å²	31.9	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-56.1	-43.5	173	-70.7	-47.4	0	0	0	112	K336 G524 R525 G531 A532	K336-D528 WeakPolarHBondContact CE-OD1 3.29Å; K336-D528 IonicContact NZ-OD1 2.69Å; K336-D528 PolarHBondContact NZ-OD1 3.19Å; G524-D528 PolarHBondContact O-N 3.08Å; R525-D528 IonicContact NE-OD2 3.44Å; R525-D528 PolarHBondContact O-N 3.4Å; D528-G531 PolarHBondContact O-N 3.28Å; D528-A532 WeakPolarHBondContact O-CB 3.46Å; D528-A532 PolarHBondContact O-N 3.29Å
529	M	90.6	Very high	87.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-32.8	179.4	-72.8	-63.1	167.1	0	0	113.9	V499 I505 Q508 I509 L512 R525 M526 I527 V537 T538	V499-M529 HydrophobicContact CG1-CB 4.38Å; V499-M529 HydrophobicContact CG1-CG 3.54Å; I505-M529 HydrophobicContact CD1-CE 4.22Å; I505-M529 HydrophobicContact CG1-CE 3.44Å; I505-M529 VanDerWaalsContact CG1-CE 3.44Å; I505-M529 HydrophobicContact CG1-SD 4.33Å; Q508-M529 HydrophobicContact CB-CE 3.39Å; Q508-M529 HydrophobicContact CG-CE 4.41Å; I509-M529 HydrophobicContact CG1-CE 4.1Å; I509-M529 HydrophobicContact CG1-SD 3.66Å; L512-M529 HydrophobicContact CD1-CB 4.1Å; L512-M529 HydrophobicContact CD1-CG 3.81Å; L512-M529 HydrophobicContact CD1-SD 3.67Å; R525-M529 WeakPolarHBondContact O-CG 3.49Å; R525-M529 PolarHBondContact O-N 2.89Å; M526-M529 PolarHBondContact O-N 3.26Å; I527-M529 VanDerWaalsContact C-N 3.31Å; I527-M529 PolarHBondContact O-N 2.93Å; M529-V537 HydrophobicContact SD-CG1 3.99Å; M529-T538 HydrophobicContact CB-CG2 4.28Å
530	L	89.7	Confident	87.3	Confident	10 Å²	10	34 Å²	34	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-77.4	-33.7	177.5	-69.8	164.2	0	0	0	111.5	L338 M526 I527 G535 T538 L540	L338-L530 HydrophobicContact CD1-CB 4.09Å; L338-L530 HydrophobicContact CD1-CD1 4.08Å; L338-L530 HydrophobicContact CD2-CB 3.51Å; L338-L530 HydrophobicContact CG-CB 4.45Å; M526-L530 HydrophobicContact CE-CD1 4.17Å; M526-L530 HydrophobicContact CE-CD2 4.2Å; M526-L530 HydrophobicContact CE-CG 4.07Å; M526-L530 HydrophobicContact CG-CD1 4.16Å; M526-L530 VanDerWaalsContact O-CG 3.31Å; M526-L530 WeakPolarHBondContact O-CG 3.21Å; M526-L530 PolarHBondContact O-N 3.21Å; I527-L530 PolarHBondContact O-N 3.01Å; L530-G535 VanDerWaalsContact O-CA 3.28Å; L530-G535 WeakPolarHBondContact O-CA 3.37Å; L530-G535 PolarHBondContact O-N 3.3Å; L530-T538 HydrophobicContact CD2-CG2 3.92Å; L530-T538 HydrophobicContact CG-CG2 4.45Å; L530-L540 HydrophobicContact CD1-CD1 3.93Å; L530-L540 HydrophobicContact CD1-CD2 4.26Å; L530-L540 HydrophobicContact CD1-CG 4.1Å; L530-L540 HydrophobicContact CD2-CD2 3.83Å; L530-L540 HydrophobicContact CD2-CG 3.79Å
531	G	85.3	Confident	87	Confident	37 Å²	37	41.4 Å²	41.4	38%	0.381	23%	0.226	S	C	.	.	H	α-helix	trans	-76.3	-28.4	171.8	0	0	0	0	0	113.7	I527 D528 N533 S534	I527-G531 PolarHBondContact O-N 3.33Å; D528-G531 PolarHBondContact O-N 3.28Å; G531-N533 PolarHBondContact O-N 2.71Å; G531-S534 PolarHBondContact O-N 3.3Å; G531-S534 VanDerWaalsContact O-N 3.13Å
532	A	82.2	Confident	86.9	Confident	19 Å²	19	42.4 Å²	42.4	16%	0.157	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	131.5	-175.7	0	0	0	0	0	112.8	D528 S534 G535 V537	D528-A532 WeakPolarHBondContact O-CB 3.46Å; D528-A532 PolarHBondContact O-N 3.29Å; A532-S534 PolarHBondContact O-N 2.99Å; A532-G535 PolarHBondContact O-N 3.41Å; A532-V537 HydrophobicContact CB-CB 4.36Å; A532-V537 HydrophobicContact CB-CG2 3.72Å
533	N	74.9	Confident	87.1	Confident	94 Å²	94	41.6 Å²	41.6	50%	0.503	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	34.6	-176	-56.3	-59.4	0	0	0	113.5	G531 R536 V537	G531-N533 PolarHBondContact O-N 2.71Å; N533-R536 HydrophobicContact CB-CB 4.05Å; N533-R536 VanDerWaalsContact O-CB 3.22Å; N533-R536 WeakPolarHBondContact O-CB 3.44Å; N533-R536 WeakPolarHBondContact O-CD 3.47Å; N533-R536 WeakPolarHBondContact O-CG 3.34Å; N533-R536 PolarHBondContact O-N 3.36Å; N533-V537 HydrophobicContact CB-CG2 4.22Å; N533-V537 WeakPolarHBondContact ND2-CG2 3.21Å
534	S	69.9	Low	87.3	Confident	115 Å²	115	41.7 Å²	41.7	80%	0.804	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	52.4	-178.5	-53.4	0	0	0	0	112.5	G531 A532 R536	G531-S534 PolarHBondContact O-N 3.3Å; G531-S534 VanDerWaalsContact O-N 3.13Å; A532-S534 PolarHBondContact O-N 2.99Å; S534-R536 PolarHBondContact O-N 3.26Å
535	G	68	Low	87.6	Confident	29 Å²	29	40.4 Å²	40.4	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	2.2	-179.7	0	0	0	0	0	115.6	L530 A532 V537	L530-G535 VanDerWaalsContact O-CA 3.28Å; L530-G535 WeakPolarHBondContact O-CA 3.37Å; L530-G535 PolarHBondContact O-N 3.3Å; A532-G535 PolarHBondContact O-N 3.41Å; G535-V537 VanDerWaalsContact C-N 3.3Å; G535-V537 PolarHBondContact O-N 2.63Å
536	R	74.9	Confident	87.8	Confident	213 Å²	213	38.9 Å²	38.9	80%	0.804	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.9	-179.6	-61.3	174.5	-178.7	-177	0.7	114.5	N533 S534	N533-R536 HydrophobicContact CB-CB 4.05Å; N533-R536 VanDerWaalsContact O-CB 3.22Å; N533-R536 WeakPolarHBondContact O-CB 3.44Å; N533-R536 WeakPolarHBondContact O-CD 3.47Å; N533-R536 WeakPolarHBondContact O-CG 3.34Å; N533-R536 PolarHBondContact O-N 3.36Å; S534-R536 PolarHBondContact O-N 3.26Å
537	V	84.6	Confident	88	Confident	8 Å²	8	38.9 Å²	38.9	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-84.1	-47.8	173.2	172.2	0	0	0	0	111.2	I509 L512 M529 A532 N533 G535	I509-V537 HydrophobicContact CB-CG1 4.39Å; I509-V537 HydrophobicContact CD1-CG2 4.34Å; I509-V537 HydrophobicContact CG1-CG1 3.96Å; I509-V537 HydrophobicContact CG1-CG2 4.17Å; I509-V537 HydrophobicContact CG2-CG1 4.26Å; I509-V537 HydrophobicContact CG2-CG2 4.11Å; L512-V537 HydrophobicContact CB-CG1 4.17Å; L512-V537 HydrophobicContact CD1-CG1 3.87Å; M529-V537 HydrophobicContact SD-CG1 3.99Å; A532-V537 HydrophobicContact CB-CB 4.36Å; A532-V537 HydrophobicContact CB-CG2 3.72Å; N533-V537 HydrophobicContact CB-CG2 4.22Å; N533-V537 WeakPolarHBondContact ND2-CG2 3.21Å; G535-V537 VanDerWaalsContact C-N 3.3Å; G535-V537 PolarHBondContact O-N 2.63Å
538	T	89.5	Confident	88.2	Confident	11 Å²	11	38.1 Å²	38.1	7%	0.067	20%	0.203	C	C	.	.			trans	-162.3	161.8	177.6	-162.1	0	0	0	0	109.6	L512 M526 M529 L530	L512-T538 HydrophobicContact CD1-CG2 4.22Å; M526-T538 HydrophobicContact CE-CG2 3.96Å; M529-T538 HydrophobicContact CB-CG2 4.28Å; L530-T538 HydrophobicContact CD2-CG2 3.92Å; L530-T538 HydrophobicContact CG-CG2 4.45Å
539	N	91.2	Very high	88.3	Confident	42 Å²	42	36.4 Å²	36.4	23%	0.225	19%	0.193	C	C	.	.			trans	-142.3	166.1	178.7	63.3	82.1	0	0	0	109.3	G463 G465 P466 R541	G463-N539 PolarHBondContact O-ND2 2.85Å; G465-N539 WeakPolarHBondContact CA-O 3.44Å; P466-N539 WeakPolarHBondContact CD-O 3.42Å; N539-R541 PolarHBondContact OD1-N 3.3Å
540	L	93.6	Very high	88.2	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-104.4	10.8	-178.2	-53.8	-172.3	0	0	0	114.3	V469 M526 L530 R542 V543 I566 N569 V570	V469-L540 HydrophobicContact CG2-CD2 4.26Å; M526-L540 HydrophobicContact CE-CD2 3.75Å; L530-L540 HydrophobicContact CD1-CD1 3.93Å; L530-L540 HydrophobicContact CD1-CD2 4.26Å; L530-L540 HydrophobicContact CD1-CG 4.1Å; L530-L540 HydrophobicContact CD2-CD2 3.83Å; L530-L540 HydrophobicContact CD2-CG 3.79Å; L540-R542 VanDerWaalsContact C-N 3.27Å; L540-R542 PolarHBondContact O-N 3.31Å; L540-V543 HydrophobicContact CB-CG2 4.03Å; L540-V543 HydrophobicContact CD2-CG2 4.08Å; L540-V543 WeakPolarHBondContact O-CB 3.41Å; L540-V543 PolarHBondContact O-N 2.74Å; L540-I566 HydrophobicContact CD1-CG2 3.83Å; L540-I566 VanDerWaalsContact CD1-O 3.25Å; L540-I566 WeakPolarHBondContact CD1-O 3.32Å; L540-N569 HydrophobicContact CD1-CB 3.75Å; L540-N569 HydrophobicContact CG-CB 4.38Å; L540-V570 HydrophobicContact CB-CG2 3.99Å; L540-V570 HydrophobicContact CD1-CG2 3.65Å; L540-V570 HydrophobicContact CG-CG2 4.41Å
541	R	91.1	Very high	87.8	Confident	154 Å²	154	36.6 Å²	36.6	58%	0.581	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.4	-171.2	-64	-177.8	177.3	-172.8	-1.2	113.9	N539	N539-R541 PolarHBondContact OD1-N 3.3Å
542	R	93.8	Very high	87.6	Confident	21 Å²	21	35.2 Å²	35.2	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6.9	178.7	-68.8	-82.7	-85.4	154.4	5.8	113.5	E349 R458 P459 E464 P466 L540 T544	E349-R542 IonicContact OE2-NH1 3.34Å; E349-R542 PolarHBondContact OE2-NH1 3.34Å; R458-R542 VanDerWaalsContact NH2-CZ 3.34Å; R458-R542 PolarHBondContact O-NH2 2.8Å; P459-R542 PolarHBondContact O-NH2 3.34Å; E464-R542 HydrophobicContact CB-CG 4.37Å; E464-R542 VanDerWaalsContact CD-NE 3.3Å; E464-R542 WeakPolarHBondContact OE1-CD 3.4Å; E464-R542 IonicContact OE1-CZ 2.8Å; E464-R542 IonicContact OE1-NE 2.66Å; E464-R542 PolarHBondContact OE1-NE 3.44Å; E464-R542 IonicContact OE2-CZ 3.67Å; E464-R542 IonicContact OE2-NE 3.83Å; E464-R542 PolarHBondContact OE2-NE 3.46Å; E464-R542 IonicContact OE2-NH2 2.67Å; E464-R542 PolarHBondContact OE2-NH2 2.88Å; P466-R542 CarbonylContact O-C 3.55Å; L540-R542 VanDerWaalsContact C-N 3.27Å; L540-R542 PolarHBondContact O-N 3.31Å; R542-T544 PolarHBondContact O-N 3.43Å
543	V	96.6	Very high	87.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.			trans	-70.2	117.4	-175.8	179.2	0	0	0	0	109.8	P466 I467 V469 L540 V546 V570 R571	P466-V543 HydrophobicContact CG-CG2 3.85Å; P466-V543 WeakPolarHBondContact O-CA 3.46Å; P466-V543 WeakPolarHBondContact O-CG2 3.46Å; P466-V543 PolarHBondContact O-N 3.08Å; P466-V543 VanDerWaalsContact O-N 3.15Å; I467-V543 WeakPolarHBondContact O-CA 3.4Å; V469-V543 HydrophobicContact CB-CG1 4.37Å; V469-V543 HydrophobicContact CG2-CG1 4.06Å; V469-V543 HydrophobicContact CG2-CG2 3.66Å; L540-V543 HydrophobicContact CB-CG2 4.03Å; L540-V543 HydrophobicContact CD2-CG2 4.08Å; L540-V543 WeakPolarHBondContact O-CB 3.41Å; L540-V543 PolarHBondContact O-N 2.74Å; V543-V546 HydrophobicContact CG1-CG2 3.65Å; V543-V570 HydrophobicContact CB-CG1 3.86Å; V543-V570 HydrophobicContact CB-CG2 4.15Å; V543-V570 HydrophobicContact CG1-CG1 3.73Å; V543-V570 HydrophobicContact CG1-CG2 3.98Å; V543-V570 WeakPolarHBondContact O-CG1 3.4Å; V543-R571 WeakPolarHBondContact O-CD 3.42Å; V543-R571 VanDerWaalsContact O-CG 3.28Å; V543-R571 WeakPolarHBondContact O-CG 3.38Å
544	T	97.1	Very high	87.4	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	15%	0.154	C	C	.	.			trans	-123.1	-5.5	-178.3	45.5	0	0	0	0	112.2	Y351 H453 Q457 I467 R542 Q575	Y351-T544 HydrophobicContact CD1-CG2 3.56Å; Y351-T544 HydrophobicContact CD2-CG2 4.16Å; Y351-T544 HydrophobicContact CE1-CG2 3.55Å; Y351-T544 HydrophobicContact CE2-CG2 4.16Å; Y351-T544 HydrophobicContact CG-CG2 3.86Å; Y351-T544 PolarHBondContact OH-O 3.41Å; H453-T544 PolarHBondContact CE1-O 3.19Å; H453-T544 VanDerWaalsContact CE1-O 3.31Å; H453-T544 WeakPolarHBondContact NE2-CB 3.43Å; H453-T544 PolarHBondContact NE2-OG1 3.25Å; Q457-T544 PolarHBondContact NE2-OG1 3.17Å; I467-T544 WeakPolarHBondContact CG2-OG1 3.37Å; I467-T544 PolarHBondContact O-N 2.67Å; R542-T544 PolarHBondContact O-N 3.43Å; T544-Q575 PolarHBondContact O-N 3.3Å
545	Y	97.8	Very high	87.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.6	176.4	-167.1	-93.8	0	0	0	109.9	I426 F446 M450 H453 I467 S468 V469 V547 Q575 V577	I426-Y545 HydrophobicContact CG2-CE2 3.69Å; I426-Y545 WeakPolarHBondContact CG2-OH 3.07Å; F446-Y545 PolarHBondContact O-OH 2.78Å; M450-Y545 HydrophobicContact CB-CD1 3.93Å; M450-Y545 HydrophobicContact CB-CE1 3.53Å; M450-Y545 HydrophobicContact CG-CD1 3.72Å; M450-Y545 HydrophobicContact CG-CE1 3.82Å; M450-Y545 HydrophobicContact CG-CG 4.47Å; H453-Y545 AromaticContact ND1-CD2 3.86Å; I467-Y545 PolarHBondContact O-N 2.92Å; S468-Y545 VanDerWaalsContact CA-O 3.31Å; S468-Y545 WeakPolarHBondContact CA-O 3.18Å; S468-Y545 WeakPolarHBondContact OG-CD1 3.34Å; V469-Y545 PolarHBondContact N-O 3.02Å; V469-Y545 VanDerWaalsContact N-O 3.09Å; Y545-V547 HydrophobicContact CD1-CG2 3.88Å; Y545-V547 HydrophobicContact CE1-CG2 3.34Å; Y545-Q575 CarbonylContact C-O 3.54Å; Y545-Q575 WeakPolarHBondContact CA-O 3.4Å; Y545-Q575 HydrophobicContact CD2-CB 4.34Å; Y545-Q575 HydrophobicContact CD2-CG 4.45Å; Y545-V577 HydrophobicContact CE2-CG2 4.09Å
546	V	97.6	Very high	87.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.5	-179.5	178	0	0	0	0	109.7	V469 M471 V543 V570 Q575 T576 V577	V469-V546 WeakPolarHBondContact O-CA 3.44Å; M471-V546 HydrophobicContact CE-CG1 3.66Å; V543-V546 HydrophobicContact CG1-CG2 3.65Å; V546-V570 HydrophobicContact CG2-CG1 4.02Å; V546-V570 HydrophobicContact CG2-CG2 4.22Å; V546-Q575 PolarHBondContact N-O 2.94Å; V546-T576 HydrophobicContact CB-CG2 4.02Å; V546-T576 HydrophobicContact CG1-CG2 4.07Å; V546-T576 WeakPolarHBondContact O-CA 3.47Å; V546-V577 PolarHBondContact O-N 2.91Å
547	V	97.3	Very high	87	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.1	174.9	-174.8	0	0	0	0	111	F446 V469 I470 M471 Y545 V577	F446-V547 HydrophobicContact CB-CG1 4.22Å; F446-V547 HydrophobicContact CB-CG2 4.15Å; F446-V547 HydrophobicContact CD1-CG1 3.88Å; F446-V547 HydrophobicContact CD2-CB 4.5Å; F446-V547 HydrophobicContact CD2-CG1 3.88Å; F446-V547 HydrophobicContact CD2-CG2 4.07Å; F446-V547 HydrophobicContact CE1-CG1 4.04Å; F446-V547 HydrophobicContact CE2-CG1 4.08Å; F446-V547 HydrophobicContact CG-CG1 3.78Å; F446-V547 HydrophobicContact CG-CG2 4.28Å; F446-V547 HydrophobicContact CZ-CG1 4.13Å; V469-V547 PolarHBondContact O-N 3.29Å; I470-V547 HydrophobicContact CB-CB 4.23Å; I470-V547 HydrophobicContact CG1-CB 3.9Å; I470-V547 HydrophobicContact CG1-CG2 3.96Å; I470-V547 HydrophobicContact CG2-CB 4.06Å; I470-V547 HydrophobicContact CG2-CG1 4.2Å; M471-V547 PolarHBondContact N-O 3.04Å; Y545-V547 HydrophobicContact CD1-CG2 3.88Å; Y545-V547 HydrophobicContact CE1-CG2 3.34Å; V547-V577 CarbonylContact C-O 3.56Å; V547-V577 VanDerWaalsContact CA-O 3.24Å; V547-V577 WeakPolarHBondContact CA-O 3.43Å
548	L	95.1	Very high	86.6	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	102.9	168.7	-56.9	177.2	0	0	0	108.5	M471 A551 M554 V563 V577 M578 F579 I594	M471-L548 HydrophobicContact CB-CD2 4.04Å; M471-L548 HydrophobicContact CE-CD2 3.65Å; M471-L548 HydrophobicContact SD-CD2 4.17Å; L548-A551 HydrophobicContact CB-CB 4.18Å; L548-M554 HydrophobicContact CB-CE 3.79Å; L548-M554 HydrophobicContact CD2-CE 3.94Å; L548-M554 HydrophobicContact CG-CE 4.43Å; L548-V563 HydrophobicContact CD2-CG1 3.8Å; L548-V577 PolarHBondContact N-O 3.2Å; L548-M578 HydrophobicContact CB-CB 4.31Å; L548-M578 HydrophobicContact CB-CG 3.99Å; L548-M578 HydrophobicContact CD1-CG 4.4Å; L548-M578 HydrophobicContact CD1-SD 4.1Å; L548-M578 CarbonylContact O-C 3.36Å; L548-M578 WeakPolarHBondContact O-CA 3.36Å; L548-F579 PolarHBondContact O-N 3.34Å; L548-I594 HydrophobicContact CD1-CD1 3.66Å; L548-I594 HydrophobicContact CD1-CG2 4.34Å
549	D	93.3	Very high	86.2	Confident	6 Å²	6	24.3 Å²	24.3	3%	0.032	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147	177.2	-162.4	13.1	0	0	0	111.1	F446 M471 P473 I481 A551	F446-D549 HydrophobicContact CE1-CB 4.03Å; F446-D549 WeakPolarHBondContact CE1-OD2 3.19Å; F446-D549 HydrophobicContact CZ-CB 4.14Å; F446-D549 WeakPolarHBondContact CZ-OD2 3.29Å; M471-D549 PolarHBondContact O-N 3.41Å; M471-D549 VanDerWaalsContact O-N 3.08Å; P473-D549 VanDerWaalsContact CD-O 3.31Å; P473-D549 WeakPolarHBondContact CD-O 3.3Å; I481-D549 HydrophobicContact CD1-CB 4.29Å; D549-A551 PolarHBondContact O-N 2.88Å
550	E	87.8	Confident	85.9	Confident	15 Å²	15	25.6 Å²	25.6	7%	0.07	12%	0.124	C	C	.	.	S	Bend	trans	49.9	41.5	-167.7	-66	-81.9	-175.4	0	0	112.2	P473 L477 D552 R553 F579 R701 H725 R729	P473-E550 HydrophobicContact CG-CB 3.67Å; L477-E550 HydrophobicContact CD2-CB 4.15Å; L477-E550 HydrophobicContact CD2-CG 3.48Å; L477-E550 VanDerWaalsContact CD2-CG 3.48Å; E550-D552 VanDerWaalsContact C-N 3.32Å; E550-D552 PolarHBondContact O-N 3.37Å; E550-R553 PolarHBondContact O-N 3.4Å; E550-F579 PolarHBondContact N-O 3.45Å; E550-F579 VanDerWaalsContact N-O 3.15Å; E550-R701 IonicContact OE2-CZ 2.84Å; E550-R701 IonicContact OE2-NH1 2.65Å; E550-R701 PolarHBondContact OE2-NH1 2.93Å; E550-H725 IonicContact OE1-CE1 2.71Å; E550-H725 IonicContact OE2-CE1 2.73Å; E550-H725 PolarHBondContact OE2-CE1 3.45Å; E550-H725 IonicContact OE2-ND1 2.8Å; E550-H725 PolarHBondContact OE2-ND1 3.42Å; E550-H725 IonicContact OE2-NE2 3.24Å; E550-R729 IonicContact OE1-NH2 2.99Å
551	A	83.2	Confident	85.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.4	-35.3	-166.8	0	0	0	0	0	114.4	L548 D549 R553 M554 F555 M578 F579 M587	L548-A551 HydrophobicContact CB-CB 4.18Å; D549-A551 PolarHBondContact O-N 2.88Å; A551-R553 PolarHBondContact O-N 3.34Å; A551-M554 HydrophobicContact CB-CE 4.31Å; A551-M554 WeakPolarHBondContact O-CB 3.41Å; A551-M554 PolarHBondContact O-N 3.08Å; A551-F555 HydrophobicContact CB-CE2 3.98Å; A551-F555 WeakPolarHBondContact O-CD2 3.25Å; A551-F555 WeakPolarHBondContact O-CE2 3.42Å; A551-F555 PolarHBondContact O-N 2.9Å; A551-M578 HydrophobicContact CB-CG 3.53Å; A551-M578 HydrophobicContact CB-SD 3.66Å; A551-F579 PolarHBondContact N-O 2.95Å; A551-M587 HydrophobicContact CB-CE 4.5Å; A551-M587 HydrophobicContact CB-SD 4.03Å
552	D	80.6	Confident	85.6	Confident	8 Å²	8	24 Å²	24	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-52	-40.4	172	50	-30.5	0	0	0	112.7	E550 M554 F555 D556 S580 T582 M587 R701 H725	E550-D552 VanDerWaalsContact C-N 3.32Å; E550-D552 PolarHBondContact O-N 3.37Å; D552-M554 VanDerWaalsContact C-N 3.34Å; D552-M554 PolarHBondContact O-N 2.92Å; D552-F555 PolarHBondContact O-N 2.73Å; D552-D556 VanDerWaalsContact O-CB 3.25Å; D552-D556 WeakPolarHBondContact O-CB 3.48Å; D552-D556 PolarHBondContact O-N 3.38Å; D552-S580 PolarHBondContact OD1-OG 3.17Å; D552-S580 PolarHBondContact OD2-OG 3Å; D552-T582 WeakPolarHBondContact CB-OG1 3.46Å; D552-T582 VanDerWaalsContact CG-OG1 3.22Å; D552-T582 PolarHBondContact OD2-OG1 3.45Å; D552-M587 HydrophobicContact CB-CE 3.47Å; D552-M587 VanDerWaalsContact CB-CE 3.47Å; D552-R701 IonicContact OD1-CZ 3.35Å; D552-R701 IonicContact OD1-NH1 2.74Å; D552-R701 PolarHBondContact OD1-NH1 3.28Å; D552-R701 IonicContact OD1-NH2 3.87Å; D552-R701 IonicContact OD2-CZ 3.75Å; D552-R701 VanDerWaalsContact OD2-CZ 3.24Å; D552-R701 IonicContact OD2-NH1 2.64Å; D552-R701 PolarHBondContact OD2-NH1 2.77Å; D552-R701 IonicContact OD2-NH2 2.6Å; D552-R701 PolarHBondContact OD2-NH2 2.66Å; D552-H725 IonicContact OD2-CD2 2.72Å; D552-H725 IonicContact OD2-CE1 2.67Å; D552-H725 IonicContact OD2-NE2 3.66Å; D552-H725 PolarHBondContact OD2-NE2 3Å
553	R	75.9	Confident	85.5	Confident	41 Å²	41	23 Å²	23	16%	0.155	13%	0.125	C	C	.	.	H	α-helix	trans	-72.7	-28	178.5	-166.4	56.7	175.9	179.8	4.2	113	P473 E550 A551 F555 D556 M557	P473-R553 HydrophobicContact CB-CB 3.94Å; P473-R553 HydrophobicContact CB-CG 3.9Å; P473-R553 HydrophobicContact CG-CB 3.95Å; P473-R553 HydrophobicContact CG-CG 4.24Å; E550-R553 PolarHBondContact O-N 3.4Å; A551-R553 PolarHBondContact O-N 3.34Å; R553-F555 VanDerWaalsContact C-N 3.25Å; R553-F555 PolarHBondContact O-N 3.31Å; R553-D556 WeakPolarHBondContact CD-OD2 3.35Å; R553-D556 IonicContact CZ-OD2 2.67Å; R553-D556 IonicContact NE-OD2 2.68Å; R553-D556 IonicContact NH1-OD1 3.48Å; R553-D556 IonicContact NH1-OD2 2.78Å; R553-D556 PolarHBondContact NH1-OD2 2.91Å; R553-M557 HydrophobicContact CG-CG 3.93Å; R553-M557 HydrophobicContact CG-SD 3.73Å; R553-M557 PolarHBondContact NE-SD 2.96Å; R553-M557 WeakPolarHBondContact O-CB 3.34Å; R553-M557 WeakPolarHBondContact O-CG 3.49Å; R553-M557 PolarHBondContact O-N 3.3Å
554	M	76	Confident	85.2	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-32.1	177.3	-67.5	-165.9	-76.5	0	0	111.4	M471 P473 P523 L548 A551 D552 F559 E560 V563	M471-M554 HydrophobicContact CB-CE 4.38Å; M471-M554 HydrophobicContact CB-SD 4.15Å; P473-M554 HydrophobicContact CB-CG 3.83Å; P473-M554 HydrophobicContact CG-CG 4.33Å; P523-M554 HydrophobicContact CG-SD 4.2Å; L548-M554 HydrophobicContact CB-CE 3.79Å; L548-M554 HydrophobicContact CD2-CE 3.94Å; L548-M554 HydrophobicContact CG-CE 4.43Å; A551-M554 HydrophobicContact CB-CE 4.31Å; A551-M554 WeakPolarHBondContact O-CB 3.41Å; A551-M554 PolarHBondContact O-N 3.08Å; D552-M554 VanDerWaalsContact C-N 3.34Å; D552-M554 PolarHBondContact O-N 2.92Å; M554-F559 HydrophobicContact CB-CB 4.4Å; M554-F559 CarbonylContact O-C 3.47Å; M554-F559 VanDerWaalsContact O-CA 3.25Å; M554-F559 WeakPolarHBondContact O-CA 3.47Å; M554-F559 WeakPolarHBondContact O-CB 3.43Å; M554-F559 PolarHBondContact O-N 3.05Å; M554-E560 PolarHBondContact O-N 2.83Å; M554-V563 HydrophobicContact CB-CG2 4.27Å; M554-V563 HydrophobicContact SD-CG2 3.95Å
555	F	73.8	Confident	84.8	Confident	23 Å²	23	29 Å²	29	10%	0.101	15%	0.149	C	C	.	.	H	α-helix	trans	-85.8	-39.9	177.6	-47.2	-50.8	0	0	0	111.9	A551 D552 R553 M557 G558 E560 V563 M587 L590	A551-F555 HydrophobicContact CB-CE2 3.98Å; A551-F555 WeakPolarHBondContact O-CD2 3.25Å; A551-F555 WeakPolarHBondContact O-CE2 3.42Å; A551-F555 PolarHBondContact O-N 2.9Å; D552-F555 PolarHBondContact O-N 2.73Å; R553-F555 VanDerWaalsContact C-N 3.25Å; R553-F555 PolarHBondContact O-N 3.31Å; F555-M557 PolarHBondContact O-N 3.16Å; F555-G558 PolarHBondContact O-N 3.48Å; F555-E560 HydrophobicContact CD1-CB 3.9Å; F555-V563 HydrophobicContact CE1-CG1 4.48Å; F555-M587 HydrophobicContact CD2-CB 4.38Å; F555-M587 HydrophobicContact CD2-CG 3.77Å; F555-M587 HydrophobicContact CE2-CG 3.72Å; F555-M587 HydrophobicContact CE2-SD 4.44Å; F555-L590 HydrophobicContact CD1-CD1 3.73Å; F555-L590 HydrophobicContact CD1-CD2 4.2Å; F555-L590 HydrophobicContact CD2-CD2 4.34Å; F555-L590 HydrophobicContact CE1-CD1 3.59Å; F555-L590 HydrophobicContact CE1-CD2 3.51Å; F555-L590 HydrophobicContact CE1-CG 4.21Å; F555-L590 HydrophobicContact CE2-CD2 3.66Å; F555-L590 HydrophobicContact CG-CD1 4.45Å; F555-L590 HydrophobicContact CZ-CD1 4.2Å; F555-L590 HydrophobicContact CZ-CD2 3.21Å; F555-L590 HydrophobicContact CZ-CG 4.34Å
556	D	66.7	Low	84.6	Confident	28 Å²	28	29 Å²	29	15%	0.15	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-41.9	172.2	172	23	0	0	0	113.1	D552 R553 G558 F793	D552-D556 VanDerWaalsContact O-CB 3.25Å; D552-D556 WeakPolarHBondContact O-CB 3.48Å; D552-D556 PolarHBondContact O-N 3.38Å; R553-D556 WeakPolarHBondContact CD-OD2 3.35Å; R553-D556 IonicContact CZ-OD2 2.67Å; R553-D556 IonicContact NE-OD2 2.68Å; R553-D556 IonicContact NH1-OD1 3.48Å; R553-D556 IonicContact NH1-OD2 2.78Å; R553-D556 PolarHBondContact NH1-OD2 2.91Å; D556-G558 PolarHBondContact O-N 3.34Å; D556-F793 HydrophobicContact CB-CE2 4Å; D556-F793 HydrophobicContact CB-CZ 4.38Å
557	M	63.9	Low	84.4	Confident	83 Å²	83	29 Å²	29	41%	0.409	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	7.4	174.7	-66.9	-174.6	63.7	0	0	114.7	R553 F555 F559	R553-M557 HydrophobicContact CG-CG 3.93Å; R553-M557 HydrophobicContact CG-SD 3.73Å; R553-M557 PolarHBondContact NE-SD 2.96Å; R553-M557 WeakPolarHBondContact O-CB 3.34Å; R553-M557 WeakPolarHBondContact O-CG 3.49Å; R553-M557 PolarHBondContact O-N 3.3Å; F555-M557 PolarHBondContact O-N 3.16Å; M557-F559 HydrophobicContact CB-CD2 3.93Å; M557-F559 HydrophobicContact CB-CE2 3.85Å; M557-F559 HydrophobicContact CB-CG 4.46Å; M557-F559 HydrophobicContact CB-CZ 4.33Å; M557-F559 HydrophobicContact CE-CE2 3.88Å; M557-F559 HydrophobicContact CE-CZ 3.83Å; M557-F559 PolarHBondContact O-N 3.14Å; M557-F559 HydrophobicContact SD-CE2 3.99Å
558	G	77.3	Confident	84.1	Confident	45 Å²	45	33 Å²	33	46%	0.464	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	19	-178.6	0	0	0	0	0	114.5	F555 D556 E560 P561	F555-G558 PolarHBondContact O-N 3.48Å; D556-G558 PolarHBondContact O-N 3.34Å; G558-E560 PolarHBondContact O-N 2.8Å; G558-P561 VanDerWaalsContact O-CD 3.28Å; G558-P561 WeakPolarHBondContact O-CD 3.41Å
559	F	81.2	Confident	84	Confident	40 Å²	40	34.1 Å²	34.1	18%	0.175	18%	0.176	C	C	.	.			trans	-76.1	1.1	170.9	-56.4	-47.6	0	0	0	112.8	P473 P523 M554 M557 Q562 V563	P473-F559 HydrophobicContact CB-CE2 4.49Å; P523-F559 HydrophobicContact CG-CB 4.47Å; M554-F559 HydrophobicContact CB-CB 4.4Å; M554-F559 CarbonylContact O-C 3.47Å; M554-F559 VanDerWaalsContact O-CA 3.25Å; M554-F559 WeakPolarHBondContact O-CA 3.47Å; M554-F559 WeakPolarHBondContact O-CB 3.43Å; M554-F559 PolarHBondContact O-N 3.05Å; M557-F559 HydrophobicContact CB-CD2 3.93Å; M557-F559 HydrophobicContact CB-CE2 3.85Å; M557-F559 HydrophobicContact CB-CG 4.46Å; M557-F559 HydrophobicContact CB-CZ 4.33Å; M557-F559 HydrophobicContact CE-CE2 3.88Å; M557-F559 HydrophobicContact CE-CZ 3.83Å; M557-F559 PolarHBondContact O-N 3.14Å; M557-F559 HydrophobicContact SD-CE2 3.99Å; F559-Q562 HydrophobicContact CB-CB 4.49Å; F559-Q562 CarbonylContact O-C 3.51Å; F559-Q562 WeakPolarHBondContact O-CA 3.4Å; F559-Q562 WeakPolarHBondContact O-CB 3.3Å; F559-Q562 PolarHBondContact O-N 3.43Å; F559-V563 HydrophobicContact CB-CG2 4.49Å; F559-V563 WeakPolarHBondContact O-CG2 3.49Å; F559-V563 PolarHBondContact O-N 2.91Å
560	E	84.8	Confident	84	Confident	68 Å²	68	33.9 Å²	33.9	32%	0.318	18%	0.175	S	C	.	.	H	α-helix	trans	-45.2	-53.6	175	168.3	166.3	174.8	0	0	113	M554 F555 G558 Q562 V563 M564 L590 R593	M554-E560 PolarHBondContact O-N 2.83Å; F555-E560 HydrophobicContact CD1-CB 3.9Å; G558-E560 PolarHBondContact O-N 2.8Å; E560-Q562 PolarHBondContact O-N 2.69Å; E560-V563 PolarHBondContact O-N 2.67Å; E560-M564 HydrophobicContact CG-CG 4.4Å; E560-M564 WeakPolarHBondContact O-CB 3.49Å; E560-M564 VanDerWaalsContact O-CG 3.27Å; E560-M564 WeakPolarHBondContact O-CG 3.4Å; E560-M564 PolarHBondContact O-N 3.43Å; E560-L590 HydrophobicContact CB-CD1 4.23Å; E560-L590 HydrophobicContact CG-CD1 3.52Å; E560-R593 IonicContact OE1-CZ 3.16Å; E560-R593 IonicContact OE1-NH1 3.88Å; E560-R593 PolarHBondContact OE1-NH1 3.05Å; E560-R593 IonicContact OE1-NH2 2.7Å; E560-R593 PolarHBondContact OE1-NH2 2.88Å
561	P	88	Confident	84.3	Confident	70 Å²	70	33.7 Å²	33.7	46%	0.455	17%	0.173	S	C	.	.	H	α-helix	trans	-69.4	-22.3	-177.8	-17.5	33.4	0	0	0	112.5	G558 R565	G558-P561 VanDerWaalsContact O-CD 3.28Å; G558-P561 WeakPolarHBondContact O-CD 3.41Å; P561-R565 WeakPolarHBondContact O-CD 3.35Å; P561-R565 WeakPolarHBondContact O-CG 3.34Å; P561-R565 PolarHBondContact O-N 3Å; P561-R565 VanDerWaalsContact O-N 3.17Å
562	Q	90	Very high	84.7	Confident	54 Å²	54	37.8 Å²	37.8	25%	0.252	20%	0.2	S	C	.	.	H	α-helix	trans	-79.6	-42.8	177.6	-57.6	-176.9	20.8	0	0	111.2	P523 G524 I527 F559 E560 M564 I566	P523-Q562 HydrophobicContact CB-CB 3.73Å; G524-Q562 VanDerWaalsContact CA-OE1 3.31Å; G524-Q562 VanDerWaalsContact N-OE1 3.11Å; I527-Q562 HydrophobicContact CD1-CB 3.7Å; I527-Q562 HydrophobicContact CD1-CG 4.05Å; F559-Q562 HydrophobicContact CB-CB 4.49Å; F559-Q562 CarbonylContact O-C 3.51Å; F559-Q562 WeakPolarHBondContact O-CA 3.4Å; F559-Q562 WeakPolarHBondContact O-CB 3.3Å; F559-Q562 PolarHBondContact O-N 3.43Å; E560-Q562 PolarHBondContact O-N 2.69Å; Q562-M564 VanDerWaalsContact C-N 3.35Å; Q562-I566 WeakPolarHBondContact O-CD1 3.26Å; Q562-I566 WeakPolarHBondContact O-CG1 3.47Å; Q562-I566 PolarHBondContact O-N 3.25Å
563	V	91.1	Very high	85.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-45	173	173.2	0	0	0	0	109.9	M471 P523 L548 M554 F555 F559 E560 I566 V567 I594	M471-V563 HydrophobicContact SD-CG1 4.25Å; M471-V563 HydrophobicContact SD-CG2 4.42Å; P523-V563 HydrophobicContact CB-CG2 4.47Å; P523-V563 HydrophobicContact CG-CG2 3.86Å; L548-V563 HydrophobicContact CD2-CG1 3.8Å; M554-V563 HydrophobicContact CB-CG2 4.27Å; M554-V563 HydrophobicContact SD-CG2 3.95Å; F555-V563 HydrophobicContact CE1-CG1 4.48Å; F559-V563 HydrophobicContact CB-CG2 4.49Å; F559-V563 WeakPolarHBondContact O-CG2 3.49Å; F559-V563 PolarHBondContact O-N 2.91Å; E560-V563 PolarHBondContact O-N 2.67Å; V563-I566 PolarHBondContact O-N 3.41Å; V563-V567 HydrophobicContact CG1-CG2 4.16Å; V563-V567 WeakPolarHBondContact O-CB 3.42Å; V563-V567 VanDerWaalsContact O-CG2 3.26Å; V563-V567 WeakPolarHBondContact O-CG2 3.35Å; V563-V567 PolarHBondContact O-N 3.06Å; V563-I594 HydrophobicContact CG1-CD1 4.15Å
564	M	89.9	Confident	86.3	Confident	14 Å²	14	39.8 Å²	39.8	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-56.6	-57.3	175.7	-73.5	-77.3	151.6	0	0	111.6	E560 Q562 I566 V567 D568 L590 R593 I594	E560-M564 HydrophobicContact CG-CG 4.4Å; E560-M564 WeakPolarHBondContact O-CB 3.49Å; E560-M564 VanDerWaalsContact O-CG 3.27Å; E560-M564 WeakPolarHBondContact O-CG 3.4Å; E560-M564 PolarHBondContact O-N 3.43Å; Q562-M564 VanDerWaalsContact C-N 3.35Å; M564-I566 CarbonylContact O-C 3.37Å; M564-I566 PolarHBondContact O-N 3.4Å; M564-V567 CarbonylContact O-C 3.36Å; M564-V567 WeakPolarHBondContact O-CA 3.4Å; M564-V567 PolarHBondContact O-N 2.97Å; M564-D568 WeakPolarHBondContact O-CB 3.4Å; M564-D568 PolarHBondContact O-N 3.22Å; M564-L590 HydrophobicContact CE-CD1 3.59Å; M564-L590 HydrophobicContact CE-CD2 4.34Å; M564-L590 HydrophobicContact CE-CG 3.63Å; M564-R593 HydrophobicContact CE-CB 4.32Å; M564-R593 HydrophobicContact CE-CG 4.3Å; M564-R593 VanDerWaalsContact CE-NH2 3.29Å; M564-R593 PolarHBondContact SD-NE 2.88Å; M564-R593 PolarHBondContact SD-NH2 3.35Å; M564-I594 HydrophobicContact CE-CD1 3.74Å; M564-I594 HydrophobicContact CE-CG1 3.4Å; M564-I594 VanDerWaalsContact CE-CG1 3.4Å
565	R	90.2	Very high	87.3	Confident	113 Å²	113	39.9 Å²	39.9	43%	0.426	21%	0.212	S	C	.	.	H	α-helix	trans	-51.1	-34	178.3	-73.2	166.4	-170.4	-173.6	2.7	114.5	I527 P561 N569	I527-R565 HydrophobicContact CD1-CB 4.38Å; P561-R565 WeakPolarHBondContact O-CD 3.35Å; P561-R565 WeakPolarHBondContact O-CG 3.34Å; P561-R565 PolarHBondContact O-N 3Å; P561-R565 VanDerWaalsContact O-N 3.17Å; R565-N569 PolarHBondContact O-ND2 3.22Å
566	I	92.9	Very high	88.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-74.5	-47.7	174.8	-64.4	164.9	0	0	0	110.6	M471 P523 M526 I527 L540 Q562 V563 M564 D568 N569 V570	M471-I566 HydrophobicContact CE-CG2 3.89Å; M471-I566 HydrophobicContact SD-CB 4.06Å; M471-I566 HydrophobicContact SD-CD1 3.85Å; M471-I566 HydrophobicContact SD-CG2 3.79Å; P523-I566 HydrophobicContact CB-CD1 3.89Å; M526-I566 HydrophobicContact CB-CD1 3.95Å; M526-I566 HydrophobicContact CG-CD1 4.25Å; I527-I566 HydrophobicContact CG1-CD1 4.15Å; I527-I566 HydrophobicContact CG1-CG1 3.93Å; L540-I566 HydrophobicContact CD1-CG2 3.83Å; L540-I566 VanDerWaalsContact CD1-O 3.25Å; L540-I566 WeakPolarHBondContact CD1-O 3.32Å; Q562-I566 WeakPolarHBondContact O-CD1 3.26Å; Q562-I566 WeakPolarHBondContact O-CG1 3.47Å; Q562-I566 PolarHBondContact O-N 3.25Å; V563-I566 PolarHBondContact O-N 3.41Å; M564-I566 CarbonylContact O-C 3.37Å; M564-I566 PolarHBondContact O-N 3.4Å; I566-D568 VanDerWaalsContact C-N 3.33Å; I566-D568 PolarHBondContact O-N 2.67Å; I566-N569 WeakPolarHBondContact O-CB 3.31Å; I566-N569 PolarHBondContact O-N 3.31Å; I566-N569 VanDerWaalsContact O-N 3.15Å; I566-V570 PolarHBondContact O-N 2.89Å
567	V	93.1	Very high	89.8	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-38.3	178.7	170	0	0	0	0	112.1	M471 V563 M564 N569 V570 R574 I594	M471-V567 HydrophobicContact CE-CG2 4.01Å; V563-V567 HydrophobicContact CG1-CG2 4.16Å; V563-V567 WeakPolarHBondContact O-CB 3.42Å; V563-V567 VanDerWaalsContact O-CG2 3.26Å; V563-V567 WeakPolarHBondContact O-CG2 3.35Å; V563-V567 PolarHBondContact O-N 3.06Å; M564-V567 CarbonylContact O-C 3.36Å; M564-V567 WeakPolarHBondContact O-CA 3.4Å; M564-V567 PolarHBondContact O-N 2.97Å; V567-N569 PolarHBondContact O-N 2.79Å; V567-V570 WeakPolarHBondContact O-CB 3.47Å; V567-V570 PolarHBondContact O-N 3.5Å; V567-R574 VanDerWaalsContact CG1-CZ 3.48Å; V567-R574 VanDerWaalsContact CG1-NH2 3.32Å; V567-R574 PolarHBondContact O-NH1 2.84Å; V567-R574 VanDerWaalsContact O-NH1 3.16Å; V567-I594 HydrophobicContact CG1-CG2 4.32Å; V567-I594 HydrophobicContact CG2-CD1 4.5Å
568	D	91.8	Very high	91.3	Very high	82 Å²	82	33.6 Å²	33.6	44%	0.439	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.7	177.9	-53.2	-30.2	0	0	0	112.7	H343 M564 I566	H343-D568 PolarHBondContact NE2-O 2.59Å; M564-D568 WeakPolarHBondContact O-CB 3.4Å; M564-D568 PolarHBondContact O-N 3.22Å; I566-D568 VanDerWaalsContact C-N 3.33Å; I566-D568 PolarHBondContact O-N 2.67Å
569	N	91.7	Very high	92	Very high	24 Å²	24	31.4 Å²	31.4	13%	0.128	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-8.6	166.7	-93.6	-110.2	0	0	0	112	V341 L540 R565 I566 V567	V341-N569 HydrophobicContact CG2-CB 4.41Å; V341-N569 VanDerWaalsContact CG2-OD1 3.25Å; V341-N569 WeakPolarHBondContact CG2-OD1 3.44Å; L540-N569 HydrophobicContact CD1-CB 3.75Å; L540-N569 HydrophobicContact CG-CB 4.38Å; R565-N569 PolarHBondContact O-ND2 3.22Å; I566-N569 WeakPolarHBondContact O-CB 3.31Å; I566-N569 PolarHBondContact O-N 3.31Å; I566-N569 VanDerWaalsContact O-N 3.15Å; V567-N569 PolarHBondContact O-N 2.79Å
570	V	94.2	Very high	92.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.152	C	C	.	.	S	Bend	trans	-97.8	133.2	178.2	-179.3	0	0	0	0	110.2	H343 L540 V543 V546 I566 V567 R574	H343-V570 PolarHBondContact NE2-O 3.3Å; L540-V570 HydrophobicContact CB-CG2 3.99Å; L540-V570 HydrophobicContact CD1-CG2 3.65Å; L540-V570 HydrophobicContact CG-CG2 4.41Å; V543-V570 HydrophobicContact CB-CG1 3.86Å; V543-V570 HydrophobicContact CB-CG2 4.15Å; V543-V570 HydrophobicContact CG1-CG1 3.73Å; V543-V570 HydrophobicContact CG1-CG2 3.98Å; V543-V570 WeakPolarHBondContact O-CG1 3.4Å; V546-V570 HydrophobicContact CG2-CG1 4.02Å; V546-V570 HydrophobicContact CG2-CG2 4.22Å; I566-V570 PolarHBondContact O-N 2.89Å; V567-V570 WeakPolarHBondContact O-CB 3.47Å; V567-V570 PolarHBondContact O-N 3.5Å; V570-R574 HydrophobicContact CG1-CB 3.98Å; V570-R574 HydrophobicContact CG1-CG 4.35Å; V570-R574 PolarHBondContact O-NH1 2.95Å; V570-R574 VanDerWaalsContact O-NH1 3.1Å
571	R	94	Very high	92.4	Very high	11 Å²	11	26.7 Å²	26.7	4%	0.042	14%	0.139	C	C	.	.			trans	-39.7	135.3	175.2	63.4	-169.2	-76.6	173.8	-0.7	113.2	Y348 E349 V543 D573 R574	Y348-R571 HydrophobicContact CD1-CB 3.9Å; Y348-R571 HydrophobicContact CD2-CB 4.23Å; Y348-R571 HydrophobicContact CE1-CB 3.64Å; Y348-R571 HydrophobicContact CE2-CB 3.98Å; Y348-R571 HydrophobicContact CG-CB 4.2Å; E349-R571 VanDerWaalsContact O-CZ 3.31Å; E349-R571 PolarHBondContact O-NH1 2.82Å; E349-R571 PolarHBondContact O-NH2 3.47Å; V543-R571 WeakPolarHBondContact O-CD 3.42Å; V543-R571 VanDerWaalsContact O-CG 3.28Å; V543-R571 WeakPolarHBondContact O-CG 3.38Å; R571-D573 VanDerWaalsContact C-N 3.26Å; R571-D573 WeakPolarHBondContact CG-OD1 3.3Å; R571-D573 IonicContact CZ-OD1 2.98Å; R571-D573 IonicContact CZ-OD2 3.81Å; R571-D573 IonicContact NE-OD1 3.49Å; R571-D573 PolarHBondContact NE-OD1 3.26Å; R571-D573 IonicContact NE-OD2 2.62Å; R571-D573 PolarHBondContact NE-OD2 3.35Å; R571-D573 IonicContact NH2-OD1 3.64Å; R571-D573 PolarHBondContact NH2-OD1 2.94Å; R571-D573 IonicContact NH2-OD2 2.96Å; R571-D573 PolarHBondContact NH2-OD2 3.25Å; R571-D573 PolarHBondContact O-N 3.49Å; R571-R574 HydrophobicContact CG-CB 4.5Å; R571-R574 WeakPolarHBondContact O-CB 3.5Å; R571-R574 WeakPolarHBondContact O-CG 3.33Å; R571-R574 PolarHBondContact O-N 3.48Å
572	P	92.2	Very high	92	Very high	86 Å²	86	23.3 Å²	23.3	56%	0.558	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.4	-171.7	26.8	-35.5	0	0	0	112.7	R574	P572-R574 PolarHBondContact O-N 3.11Å
573	D	93.9	Very high	91.8	Very high	62 Å²	62	20.9 Å²	20.9	33%	0.332	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	18.5	178.3	76.2	-48.2	0	0	0	113.8	Y351 K353 R571	Y351-D573 PolarHBondContact OH-O 3.36Å; Y351-D573 VanDerWaalsContact OH-O 3.09Å; K353-D573 WeakPolarHBondContact CE-O 3.42Å; K353-D573 PolarHBondContact NZ-O 3.09Å; R571-D573 VanDerWaalsContact C-N 3.26Å; R571-D573 WeakPolarHBondContact CG-OD1 3.3Å; R571-D573 IonicContact CZ-OD1 2.98Å; R571-D573 IonicContact CZ-OD2 3.81Å; R571-D573 IonicContact NE-OD1 3.49Å; R571-D573 PolarHBondContact NE-OD1 3.26Å; R571-D573 IonicContact NE-OD2 2.62Å; R571-D573 PolarHBondContact NE-OD2 3.35Å; R571-D573 IonicContact NH2-OD1 3.64Å; R571-D573 PolarHBondContact NH2-OD1 2.94Å; R571-D573 IonicContact NH2-OD2 2.96Å; R571-D573 PolarHBondContact NH2-OD2 3.25Å; R571-D573 PolarHBondContact O-N 3.49Å
574	R	95.3	Very high	91.2	Very high	29 Å²	29	21.8 Å²	21.8	11%	0.109	11%	0.111	C	C	.	.			trans	-53.7	172.1	166.4	62.4	-173.4	179.9	-103.8	-9.7	113.2	Y351 K353 V567 V570 R571 P572 T576 I594	Y351-R574 VanDerWaalsContact OH-C 3.27Å; Y351-R574 WeakPolarHBondContact OH-CA 3.36Å; K353-R574 PolarHBondContact NZ-O 3.35Å; V567-R574 VanDerWaalsContact CG1-CZ 3.48Å; V567-R574 VanDerWaalsContact CG1-NH2 3.32Å; V567-R574 PolarHBondContact O-NH1 2.84Å; V567-R574 VanDerWaalsContact O-NH1 3.16Å; V570-R574 HydrophobicContact CG1-CB 3.98Å; V570-R574 HydrophobicContact CG1-CG 4.35Å; V570-R574 PolarHBondContact O-NH1 2.95Å; V570-R574 VanDerWaalsContact O-NH1 3.1Å; R571-R574 HydrophobicContact CG-CB 4.5Å; R571-R574 WeakPolarHBondContact O-CB 3.5Å; R571-R574 WeakPolarHBondContact O-CG 3.33Å; R571-R574 PolarHBondContact O-N 3.48Å; P572-R574 PolarHBondContact O-N 3.11Å; R574-T576 WeakPolarHBondContact CD-OG1 3.31Å; R574-T576 PolarHBondContact NE-OG1 2.96Å; R574-T576 VanDerWaalsContact NE-OG1 3.11Å; R574-I594 PolarHBondContact NH2-O 3.27Å; R574-I594 VanDerWaalsContact NH2-O 3.13Å
575	Q	97.1	Very high	90.7	Very high	2 Å²	2	31 Å²	31	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.2	157.2	-175.2	-179.5	14.9	0	0	108.3	Y351 I426 R430 D431 T544 Y545 V546 V577	Y351-Q575 PolarHBondContact OH-N 2.84Å; I426-Q575 PolarHBondContact O-NE2 3.27Å; R430-Q575 PolarHBondContact O-NE2 3.35Å; D431-Q575 WeakPolarHBondContact OD1-CA 3.29Å; T544-Q575 PolarHBondContact O-N 3.3Å; Y545-Q575 CarbonylContact C-O 3.54Å; Y545-Q575 WeakPolarHBondContact CA-O 3.4Å; Y545-Q575 HydrophobicContact CD2-CB 4.34Å; Y545-Q575 HydrophobicContact CD2-CG 4.45Å; V546-Q575 PolarHBondContact N-O 2.94Å; Q575-V577 HydrophobicContact CG-CG2 4.46Å
576	T	96.6	Very high	90	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134	179.9	-42.3	0	0	0	0	111.8	D431 L432 V546 R574 I594 L595	D431-T576 WeakPolarHBondContact CA-O 3.46Å; D431-T576 WeakPolarHBondContact CB-O 3.31Å; D431-T576 VanDerWaalsContact CG-O 3.32Å; D431-T576 PolarHBondContact OD1-N 3.2Å; L432-T576 PolarHBondContact N-O 3.44Å; V546-T576 HydrophobicContact CB-CG2 4.02Å; V546-T576 HydrophobicContact CG1-CG2 4.07Å; V546-T576 WeakPolarHBondContact O-CA 3.47Å; R574-T576 WeakPolarHBondContact CD-OG1 3.31Å; R574-T576 PolarHBondContact NE-OG1 2.96Å; R574-T576 VanDerWaalsContact NE-OG1 3.11Å; T576-I594 HydrophobicContact CG2-CG2 3.6Å; T576-L595 HydrophobicContact CG2-CD2 3.98Å; T576-L595 WeakPolarHBondContact O-CD2 3.27Å
577	V	96.6	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.3	-171.8	174.3	0	0	0	0	109.1	I426 L432 F446 Y545 V546 V547 L548 Q575 F579	I426-V577 HydrophobicContact CD1-CG1 3.86Å; I426-V577 HydrophobicContact CD1-CG2 4.39Å; I426-V577 HydrophobicContact CG1-CG1 4.32Å; I426-V577 HydrophobicContact CG1-CG2 4.1Å; I426-V577 HydrophobicContact CG2-CG2 4.03Å; L432-V577 HydrophobicContact CB-CG1 4.37Å; L432-V577 HydrophobicContact CB-CG2 4.5Å; L432-V577 HydrophobicContact CD2-CG1 4.45Å; F446-V577 HydrophobicContact CB-CG1 4.23Å; Y545-V577 HydrophobicContact CE2-CG2 4.09Å; V546-V577 PolarHBondContact O-N 2.91Å; V547-V577 CarbonylContact C-O 3.56Å; V547-V577 VanDerWaalsContact CA-O 3.24Å; V547-V577 WeakPolarHBondContact CA-O 3.43Å; L548-V577 PolarHBondContact N-O 3.2Å; Q575-V577 HydrophobicContact CG-CG2 4.46Å; V577-F579 HydrophobicContact CG1-CD2 3.74Å; V577-F579 HydrophobicContact CG1-CE2 3.42Å; V577-F579 VanDerWaalsContact CG1-CE2 3.42Å
578	M	94.9	Very high	88.9	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.4	-178.5	-173.8	164.9	68.2	0	0	111	L432 I433 G434 L548 A551 F583 M587 A591 L595	L432-M578 PolarHBondContact O-N 3.23Å; I433-M578 CarbonylContact C-O 3.58Å; I433-M578 WeakPolarHBondContact CA-O 3.28Å; I433-M578 HydrophobicContact CD1-CE 4.32Å; I433-M578 HydrophobicContact CG1-CE 4.12Å; I433-M578 HydrophobicContact CG2-CE 4.09Å; G434-M578 PolarHBondContact N-O 3.38Å; L548-M578 HydrophobicContact CB-CB 4.31Å; L548-M578 HydrophobicContact CB-CG 3.99Å; L548-M578 HydrophobicContact CD1-CG 4.4Å; L548-M578 HydrophobicContact CD1-SD 4.1Å; L548-M578 CarbonylContact O-C 3.36Å; L548-M578 WeakPolarHBondContact O-CA 3.36Å; A551-M578 HydrophobicContact CB-CG 3.53Å; A551-M578 HydrophobicContact CB-SD 3.66Å; M578-F583 HydrophobicContact CE-CE2 3.84Å; M578-M587 HydrophobicContact CE-CG 4.07Å; M578-M587 HydrophobicContact CE-SD 3.47Å; M578-M587 WeakPolarHBondContact CE-SD 3.29Å; M578-M587 HydrophobicContact CG-SD 4.44Å; M578-M587 HydrophobicContact SD-CG 4.21Å; M578-M587 HydrophobicContact SD-SD 3.62Å; M578-M587 VanDerWaalsContact SD-SD 3.62Å; M578-A591 HydrophobicContact CE-CB 3.66Å; M578-L595 HydrophobicContact CB-CD1 4.49Å; M578-L595 HydrophobicContact CE-CD1 4.11Å
579	F	93.2	Very high	88.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.8	177.4	-84.3	-81.5	0	0	0	111.6	I418 A422 I426 L432 G434 K442 A445 F446 L548 E550 A551 V577	I418-F579 HydrophobicContact CD1-CE1 4.1Å; I418-F579 HydrophobicContact CG1-CE1 3.83Å; A422-F579 HydrophobicContact CB-CE1 4.47Å; A422-F579 HydrophobicContact CB-CZ 3.99Å; I426-F579 HydrophobicContact CD1-CE2 4.21Å; I426-F579 HydrophobicContact CD1-CZ 4.36Å; L432-F579 HydrophobicContact CD2-CE1 4.47Å; L432-F579 HydrophobicContact CD2-CE2 4.11Å; L432-F579 HydrophobicContact CD2-CZ 3.76Å; G434-F579 WeakPolarHBondContact O-CA 3.45Å; G434-F579 WeakPolarHBondContact O-CD1 3.23Å; K442-F579 HydrophobicContact CB-CD1 3.81Å; K442-F579 HydrophobicContact CB-CE1 4.27Å; K442-F579 HydrophobicContact CB-CG 4.26Å; K442-F579 HydrophobicContact CD-CB 4.33Å; K442-F579 HydrophobicContact CD-CD1 3.8Å; K442-F579 HydrophobicContact CD-CG 4.49Å; K442-F579 HydrophobicContact CG-CD1 3.73Å; K442-F579 HydrophobicContact CG-CE1 4.19Å; A445-F579 HydrophobicContact CB-CE1 4.31Å; A445-F579 HydrophobicContact CB-CZ 3.82Å; F446-F579 HydrophobicContact CB-CD2 4.21Å; F446-F579 HydrophobicContact CB-CE2 3.86Å; F446-F579 AromaticContact CD1-CD2 3.6Å; F446-F579 HydrophobicContact CD1-CD2 3.6Å; F446-F579 AromaticContact CD1-CE2 3.94Å; F446-F579 HydrophobicContact CD1-CE2 3.94Å; F446-F579 HydrophobicContact CD1-CG 4.28Å; F446-F579 HydrophobicContact CE1-CD2 4.43Å; F446-F579 HydrophobicContact CG-CD2 4.38Å; F446-F579 HydrophobicContact CG-CE2 4.43Å; L548-F579 PolarHBondContact O-N 3.34Å; E550-F579 PolarHBondContact N-O 3.45Å; E550-F579 VanDerWaalsContact N-O 3.15Å; A551-F579 PolarHBondContact N-O 2.95Å; V577-F579 HydrophobicContact CG1-CD2 3.74Å; V577-F579 HydrophobicContact CG1-CE2 3.42Å; V577-F579 VanDerWaalsContact CG1-CE2 3.42Å
580	S	89.3	Confident	87.8	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	173.8	171.5	-179.4	0	0	0	0	111	G434 A436 K442 D552 T582	G434-S580 PolarHBondContact O-N 3.43Å; G434-S580 VanDerWaalsContact O-N 3.14Å; A436-S580 PolarHBondContact N-O 3Å; K442-S580 WeakPolarHBondContact CD-O 3.46Å; K442-S580 PolarHBondContact NZ-O 3.19Å; D552-S580 PolarHBondContact OD1-OG 3.17Å; D552-S580 PolarHBondContact OD2-OG 3Å; S580-T582 VanDerWaalsContact CB-O 3.3Å; S580-T582 WeakPolarHBondContact CB-O 3.19Å; S580-T582 PolarHBondContact OG-N 3.23Å; S580-T582 PolarHBondContact OG-O 2.84Å
581	A	83.8	Confident	87.4	Confident	5 Å²	5	28.7 Å²	28.7	4%	0.041	16%	0.156	C	C	.	.	S	Bend	trans	-95.3	-18.4	163.5	0	0	0	0	0	112.7	A436 T438 K442	A436-A581 VanDerWaalsContact O-CA 3.31Å; A436-A581 WeakPolarHBondContact O-CA 3.45Å; T438-A581 HydrophobicContact CG2-CB 4.3Å; K442-A581 VanDerWaalsContact NZ-N 3.18Å
582	T	81.4	Confident	87	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.			trans	-125.6	159.7	-178	81.7	0	0	0	0	109.9	D552 S580 M587 S607 E721	D552-T582 WeakPolarHBondContact CB-OG1 3.46Å; D552-T582 VanDerWaalsContact CG-OG1 3.22Å; D552-T582 PolarHBondContact OD2-OG1 3.45Å; S580-T582 VanDerWaalsContact CB-O 3.3Å; S580-T582 WeakPolarHBondContact CB-O 3.19Å; S580-T582 PolarHBondContact OG-N 3.23Å; S580-T582 PolarHBondContact OG-O 2.84Å; T582-M587 WeakPolarHBondContact O-CE 3.36Å; T582-S607 VanDerWaalsContact CA-OG 3.29Å; T582-S607 WeakPolarHBondContact CA-OG 3.38Å; T582-S607 VanDerWaalsContact CB-OG 3.31Å; T582-S607 WeakPolarHBondContact CB-OG 3.49Å; T582-E721 HydrophobicContact CG2-CB 4.1Å; T582-E721 HydrophobicContact CG2-CG 3.83Å; T582-E721 WeakPolarHBondContact OG1-CG 3.41Å
583	F	84.2	Confident	86.8	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.013	19%	0.187	C	C	.	.			trans	-145.6	71.9	178	-160.8	-121.3	0	0	0	111.8	I433 I435 M578 M587 E588 A591 R606 S607	I433-F583 HydrophobicContact CD1-CE2 4.47Å; I433-F583 HydrophobicContact CD1-CZ 3.97Å; I433-F583 HydrophobicContact CG2-CD2 4.24Å; I433-F583 HydrophobicContact CG2-CE2 3.8Å; I433-F583 HydrophobicContact CG2-CZ 4.05Å; I435-F583 HydrophobicContact CD1-CB 3.61Å; I435-F583 HydrophobicContact CD1-CD1 3.71Å; I435-F583 HydrophobicContact CD1-CD2 4.27Å; I435-F583 HydrophobicContact CD1-CE1 4.48Å; I435-F583 HydrophobicContact CD1-CG 3.61Å; I435-F583 HydrophobicContact CG1-CB 4.11Å; I435-F583 HydrophobicContact CG1-CG 4.23Å; M578-F583 HydrophobicContact CE-CE2 3.84Å; F583-M587 HydrophobicContact CD2-CB 4.25Å; F583-M587 HydrophobicContact CD2-CE 3.83Å; F583-M587 HydrophobicContact CD2-CG 4.25Å; F583-M587 HydrophobicContact CD2-SD 3.47Å; F583-M587 WeakPolarHBondContact CD2-SD 3.46Å; F583-M587 HydrophobicContact CE2-CB 4.17Å; F583-M587 HydrophobicContact CE2-CE 4.44Å; F583-M587 HydrophobicContact CE2-CG 3.98Å; F583-M587 HydrophobicContact CE2-SD 3.52Å; F583-M587 VanDerWaalsContact CE2-SD 3.52Å; F583-E588 HydrophobicContact CE1-CB 3.9Å; F583-E588 HydrophobicContact CE1-CG 3.78Å; F583-E588 HydrophobicContact CZ-CB 3.93Å; F583-E588 HydrophobicContact CZ-CG 3.98Å; F583-A591 HydrophobicContact CE2-CB 4.49Å; F583-A591 HydrophobicContact CZ-CB 4.26Å; F583-R606 HydrophobicContact CB-CG 4.44Å; F583-R606 VanDerWaalsContact CD1-NH2 3.32Å; F583-R606 PolarHBondContact O-NE 3.32Å; F583-R606 PolarHBondContact O-NH2 3.45Å; F583-S607 PolarHBondContact N-OG 2.65Å
584	P	79.3	Confident	86.6	Confident	19 Å²	19	37.1 Å²	37.1	12%	0.123	17%	0.172	C	C	.	.			trans	-67.9	157.6	176.3	28.8	-35.7	0	0	0	112	A586 M587 E588	P584-A586 PolarHBondContact O-N 3.21Å; P584-A586 VanDerWaalsContact O-N 3.16Å; P584-M587 HydrophobicContact CG-CB 4.42Å; P584-M587 PolarHBondContact O-N 3.03Å; P584-E588 PolarHBondContact O-N 3.37Å
585	R	78.4	Confident	86.4	Confident	208 Å²	208	36.3 Å²	36.3	79%	0.785	17%	0.17	S	C	*	.	H	α-helix	trans	-55.4	-33.4	-178.2	-76.5	-174.3	172.9	-170.4	-2.1	113.9	E588 A589	R585-E588 WeakPolarHBondContact O-CB 3.38Å; R585-E588 PolarHBondContact O-N 3.34Å; R585-E588 VanDerWaalsContact O-N 3.15Å; R585-A589 PolarHBondContact O-N 3.1Å
586	A	75.4	Confident	86.2	Confident	46 Å²	46	39.5 Å²	39.5	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-62.6	-40.3	176.4	0	0	0	0	0	112.4	P584 E588 L590 F793	P584-A586 PolarHBondContact O-N 3.21Å; P584-A586 VanDerWaalsContact O-N 3.16Å; A586-E588 VanDerWaalsContact C-N 3.31Å; A586-E588 PolarHBondContact O-N 2.95Å; A586-L590 PolarHBondContact O-N 3.22Å; A586-F793 HydrophobicContact CB-CB 3.95Å; A586-F793 HydrophobicContact CB-CD1 4.49Å
587	M	81	Confident	85.9	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-37.2	173.2	-163	-163.2	-42.2	0	0	111.1	A551 D552 F555 M578 T582 F583 P584 A589 L590 A591	A551-M587 HydrophobicContact CB-CE 4.5Å; A551-M587 HydrophobicContact CB-SD 4.03Å; D552-M587 HydrophobicContact CB-CE 3.47Å; D552-M587 VanDerWaalsContact CB-CE 3.47Å; F555-M587 HydrophobicContact CD2-CB 4.38Å; F555-M587 HydrophobicContact CD2-CG 3.77Å; F555-M587 HydrophobicContact CE2-CG 3.72Å; F555-M587 HydrophobicContact CE2-SD 4.44Å; M578-M587 HydrophobicContact CE-CG 4.07Å; M578-M587 HydrophobicContact CE-SD 3.47Å; M578-M587 WeakPolarHBondContact CE-SD 3.29Å; M578-M587 HydrophobicContact CG-SD 4.44Å; M578-M587 HydrophobicContact SD-CG 4.21Å; M578-M587 HydrophobicContact SD-SD 3.62Å; M578-M587 VanDerWaalsContact SD-SD 3.62Å; T582-M587 WeakPolarHBondContact O-CE 3.36Å; F583-M587 HydrophobicContact CD2-CB 4.25Å; F583-M587 HydrophobicContact CD2-CE 3.83Å; F583-M587 HydrophobicContact CD2-CG 4.25Å; F583-M587 HydrophobicContact CD2-SD 3.47Å; F583-M587 WeakPolarHBondContact CD2-SD 3.46Å; F583-M587 HydrophobicContact CE2-CB 4.17Å; F583-M587 HydrophobicContact CE2-CE 4.44Å; F583-M587 HydrophobicContact CE2-CG 3.98Å; F583-M587 HydrophobicContact CE2-SD 3.52Å; F583-M587 VanDerWaalsContact CE2-SD 3.52Å; P584-M587 HydrophobicContact CG-CB 4.42Å; P584-M587 PolarHBondContact O-N 3.03Å; M587-A589 VanDerWaalsContact C-N 3.33Å; M587-A589 PolarHBondContact O-N 3.42Å; M587-L590 PolarHBondContact O-N 3.46Å; M587-A591 VanDerWaalsContact O-CB 3.27Å; M587-A591 WeakPolarHBondContact O-CB 3.42Å; M587-A591 PolarHBondContact O-N 2.89Å
588	E	82.9	Confident	85.9	Confident	51 Å²	51	50.2 Å²	50.2	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-37	-178.3	-164.5	-176.7	135.9	0	0	112.8	F583 P584 R585 A586 R592 R606	F583-E588 HydrophobicContact CE1-CB 3.9Å; F583-E588 HydrophobicContact CE1-CG 3.78Å; F583-E588 HydrophobicContact CZ-CB 3.93Å; F583-E588 HydrophobicContact CZ-CG 3.98Å; P584-E588 PolarHBondContact O-N 3.37Å; R585-E588 WeakPolarHBondContact O-CB 3.38Å; R585-E588 PolarHBondContact O-N 3.34Å; R585-E588 VanDerWaalsContact O-N 3.15Å; A586-E588 VanDerWaalsContact C-N 3.31Å; A586-E588 PolarHBondContact O-N 2.95Å; E588-R592 WeakPolarHBondContact O-CD 3.47Å; E588-R592 WeakPolarHBondContact O-CG 3.26Å; E588-R592 PolarHBondContact O-N 2.9Å; E588-R592 IonicContact OE1-CZ 3.77Å; E588-R592 IonicContact OE1-NE 3.69Å; E588-R592 IonicContact OE1-NH2 3.35Å; E588-R592 PolarHBondContact OE1-NH2 3.39Å; E588-R606 IonicContact OE2-NH2 2.8Å; E588-R606 PolarHBondContact OE2-NH2 2.87Å; E588-R606 VanDerWaalsContact OE2-NH2 3.15Å
589	A	81.9	Confident	85.9	Confident	67 Å²	67	50.1 Å²	50.1	55%	0.554	25%	0.247	S	C	*	.	H	α-helix	trans	-63.3	-46.1	174.4	0	0	0	0	0	111.9	R585 M587 R592	R585-A589 PolarHBondContact O-N 3.1Å; M587-A589 VanDerWaalsContact C-N 3.33Å; M587-A589 PolarHBondContact O-N 3.42Å; A589-R592 PolarHBondContact O-N 3.23Å
590	L	77.3	Confident	85.9	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-73.1	-32.3	178.5	174.6	145.3	0	0	0	113.1	F555 E560 M564 A586 M587 R592 R593 I594	F555-L590 HydrophobicContact CD1-CD1 3.73Å; F555-L590 HydrophobicContact CD1-CD2 4.2Å; F555-L590 HydrophobicContact CD2-CD2 4.34Å; F555-L590 HydrophobicContact CE1-CD1 3.59Å; F555-L590 HydrophobicContact CE1-CD2 3.51Å; F555-L590 HydrophobicContact CE1-CG 4.21Å; F555-L590 HydrophobicContact CE2-CD2 3.66Å; F555-L590 HydrophobicContact CG-CD1 4.45Å; F555-L590 HydrophobicContact CZ-CD1 4.2Å; F555-L590 HydrophobicContact CZ-CD2 3.21Å; F555-L590 HydrophobicContact CZ-CG 4.34Å; E560-L590 HydrophobicContact CB-CD1 4.23Å; E560-L590 HydrophobicContact CG-CD1 3.52Å; M564-L590 HydrophobicContact CE-CD1 3.59Å; M564-L590 HydrophobicContact CE-CD2 4.34Å; M564-L590 HydrophobicContact CE-CG 3.63Å; A586-L590 PolarHBondContact O-N 3.22Å; M587-L590 PolarHBondContact O-N 3.46Å; L590-R592 PolarHBondContact O-N 2.89Å; L590-R593 WeakPolarHBondContact O-CA 3.31Å; L590-R593 WeakPolarHBondContact O-CB 3.41Å; L590-R593 PolarHBondContact O-N 3.09Å; L590-I594 HydrophobicContact CD2-CD1 3.55Å; L590-I594 HydrophobicContact CD2-CG1 4.1Å; L590-I594 HydrophobicContact CG-CD1 4.27Å; L590-I594 HydrophobicContact CG-CG1 4.46Å; L590-I594 PolarHBondContact O-N 2.81Å; L590-I594 VanDerWaalsContact O-N 3.08Å
591	A	86.3	Confident	86.2	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-54.4	-42.4	173.5	0	0	0	0	0	110.7	I433 M578 F583 M587 R593 I594 L595	I433-A591 HydrophobicContact CD1-CB 3.92Å; M578-A591 HydrophobicContact CE-CB 3.66Å; F583-A591 HydrophobicContact CE2-CB 4.49Å; F583-A591 HydrophobicContact CZ-CB 4.26Å; M587-A591 VanDerWaalsContact O-CB 3.27Å; M587-A591 WeakPolarHBondContact O-CB 3.42Å; M587-A591 PolarHBondContact O-N 2.89Å; A591-R593 VanDerWaalsContact C-N 3.27Å; A591-R593 PolarHBondContact O-N 3.43Å; A591-I594 PolarHBondContact O-N 3.22Å; A591-L595 HydrophobicContact CB-CD1 4.05Å; A591-L595 VanDerWaalsContact O-CB 3.29Å; A591-L595 WeakPolarHBondContact O-CB 3.32Å; A591-L595 PolarHBondContact O-N 3.03Å
592	R	85.9	Confident	86.6	Confident	182 Å²	182	51.8 Å²	51.8	69%	0.687	25%	0.253	S	S	*	.	H	α-helix	trans	-66.9	-22.2	176.2	-63.7	160.9	-175.5	-106.3	4.8	113.4	E588 A589 L590	E588-R592 WeakPolarHBondContact O-CD 3.47Å; E588-R592 WeakPolarHBondContact O-CG 3.26Å; E588-R592 PolarHBondContact O-N 2.9Å; E588-R592 IonicContact OE1-CZ 3.77Å; E588-R592 IonicContact OE1-NE 3.69Å; E588-R592 IonicContact OE1-NH2 3.35Å; E588-R592 PolarHBondContact OE1-NH2 3.39Å; A589-R592 PolarHBondContact O-N 3.23Å; L590-R592 PolarHBondContact O-N 2.89Å
593	R	87.1	Confident	87	Confident	148 Å²	148	52 Å²	52	56%	0.558	26%	0.255	S	S	*	.	H	α-helix	trans	-85.2	-29.3	175.4	-165.2	164.7	80.5	-136.9	0.7	113.1	E560 M564 L590 A591	E560-R593 IonicContact OE1-CZ 3.16Å; E560-R593 IonicContact OE1-NH1 3.88Å; E560-R593 PolarHBondContact OE1-NH1 3.05Å; E560-R593 IonicContact OE1-NH2 2.7Å; E560-R593 PolarHBondContact OE1-NH2 2.88Å; M564-R593 HydrophobicContact CE-CB 4.32Å; M564-R593 HydrophobicContact CE-CG 4.3Å; M564-R593 VanDerWaalsContact CE-NH2 3.29Å; M564-R593 PolarHBondContact SD-NE 2.88Å; M564-R593 PolarHBondContact SD-NH2 3.35Å; L590-R593 WeakPolarHBondContact O-CA 3.31Å; L590-R593 WeakPolarHBondContact O-CB 3.41Å; L590-R593 PolarHBondContact O-N 3.09Å; A591-R593 VanDerWaalsContact C-N 3.27Å; A591-R593 PolarHBondContact O-N 3.43Å
594	I	90.4	Very high	86.8	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-90.5	-39.5	-179.1	-62.8	-173.3	0	0	0	113.3	L548 V563 M564 V567 R574 T576 L590 A591	L548-I594 HydrophobicContact CD1-CD1 3.66Å; L548-I594 HydrophobicContact CD1-CG2 4.34Å; V563-I594 HydrophobicContact CG1-CD1 4.15Å; M564-I594 HydrophobicContact CE-CD1 3.74Å; M564-I594 HydrophobicContact CE-CG1 3.4Å; M564-I594 VanDerWaalsContact CE-CG1 3.4Å; V567-I594 HydrophobicContact CG1-CG2 4.32Å; V567-I594 HydrophobicContact CG2-CD1 4.5Å; R574-I594 PolarHBondContact NH2-O 3.27Å; R574-I594 VanDerWaalsContact NH2-O 3.13Å; T576-I594 HydrophobicContact CG2-CG2 3.6Å; L590-I594 HydrophobicContact CD2-CD1 3.55Å; L590-I594 HydrophobicContact CD2-CG1 4.1Å; L590-I594 HydrophobicContact CG-CD1 4.27Å; L590-I594 HydrophobicContact CG-CG1 4.46Å; L590-I594 PolarHBondContact O-N 2.81Å; L590-I594 VanDerWaalsContact O-N 3.08Å; A591-I594 PolarHBondContact O-N 3.22Å
595	L	92.1	Very high	86.5	Confident	11 Å²	11	54.2 Å²	54.2	6%	0.058	28%	0.281	C	S	.	.			trans	-105	133.9	-162.1	-64.4	154.8	0	0	0	113.3	D431 I433 T576 M578 A591 P598	D431-L595 HydrophobicContact CB-CB 4.36Å; D431-L595 HydrophobicContact CB-CD2 3.85Å; D431-L595 WeakPolarHBondContact OD2-CA 3.32Å; I433-L595 HydrophobicContact CD1-CD1 3.84Å; I433-L595 HydrophobicContact CG1-CD1 3.52Å; T576-L595 HydrophobicContact CG2-CD2 3.98Å; T576-L595 WeakPolarHBondContact O-CD2 3.27Å; M578-L595 HydrophobicContact CB-CD1 4.49Å; M578-L595 HydrophobicContact CE-CD1 4.11Å; A591-L595 HydrophobicContact CB-CD1 4.05Å; A591-L595 VanDerWaalsContact O-CB 3.29Å; A591-L595 WeakPolarHBondContact O-CB 3.32Å; A591-L595 PolarHBondContact O-N 3.03Å; L595-P598 HydrophobicContact CB-CB 4.02Å; L595-P598 HydrophobicContact CB-CG 3.83Å; L595-P598 HydrophobicContact CD1-CB 4.39Å; L595-P598 HydrophobicContact CD1-CG 4.36Å
596	A	91.6	Very high	86.2	Confident	69 Å²	69	48.5 Å²	48.5	57%	0.57	26%	0.26	S	S	*	.	S	Bend	trans	-91.8	106.2	179.9	0	0	0	0	0	112.2	D431	D431-A596 PolarHBondContact OD2-N 3.38Å
597	K	91.7	Very high	86	Confident	189 Å²	189	46.7 Å²	46.7	82%	0.822	24%	0.244	S	C	*	.	S	Bend	trans	45.4	54.2	178.9	-61.1	-179.9	-179.2	177.7	0	112.8	R430	R430-K597 PolarHBondContact NH2-O 3.39Å
598	P	94.8	Very high	86	Confident	37 Å²	37	47.8 Å²	47.8	24%	0.24	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.2	163.9	-170.1	28.2	-36.4	0	0	0	114.1	D431 I433 L595	D431-P598 HydrophobicContact CB-CB 4.04Å; D431-P598 CarbonylContact O-C 3.53Å; D431-P598 VanDerWaalsContact O-CA 3.3Å; D431-P598 WeakPolarHBondContact O-CA 3.43Å; I433-P598 HydrophobicContact CD1-CG 4.25Å; I433-P598 HydrophobicContact CG1-CB 4.31Å; L595-P598 HydrophobicContact CB-CB 4.02Å; L595-P598 HydrophobicContact CB-CG 3.83Å; L595-P598 HydrophobicContact CD1-CB 4.39Å; L595-P598 HydrophobicContact CD1-CG 4.36Å
599	L	95.3	Very high	85.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.9	163	-67.2	173.1	0	0	0	109.4	C387 A425 R430 D431 L432 I433	C387-L599 HydrophobicContact CB-CD1 4.06Å; C387-L599 HydrophobicContact CB-CD2 3.93Å; A425-L599 HydrophobicContact CB-CD1 3.98Å; R430-L599 HydrophobicContact CB-CD1 3.98Å; R430-L599 HydrophobicContact CB-CG 4.42Å; R430-L599 HydrophobicContact CG-CD1 4.1Å; D431-L599 PolarHBondContact O-N 2.82Å; L432-L599 CarbonylContact C-O 3.51Å; L432-L599 WeakPolarHBondContact CA-O 3.32Å; L432-L599 HydrophobicContact CD1-CB 4.11Å; I433-L599 PolarHBondContact N-O 2.88Å
600	E	94.6	Very high	85.7	Confident	25 Å²	25	42.9 Å²	42.9	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123	171.3	-165.2	-169.3	145.3	0	0	108.8	V382 K383 I433 I435	V382-E600 CarbonylContact C-O 3.57Å; V382-E600 WeakPolarHBondContact CA-O 3.27Å; K383-E600 HydrophobicContact CB-CB 4.09Å; K383-E600 WeakPolarHBondContact CD-OE2 3.48Å; K383-E600 WeakPolarHBondContact CE-OE1 3.26Å; K383-E600 WeakPolarHBondContact CE-OE2 3.33Å; K383-E600 HydrophobicContact CG-CB 4.42Å; K383-E600 PolarHBondContact N-O 3.26Å; K383-E600 IonicContact NZ-OE1 3.48Å; K383-E600 PolarHBondContact NZ-OE1 3.46Å; K383-E600 IonicContact NZ-OE2 3.36Å; K383-E600 PolarHBondContact NZ-OE2 2.81Å; K383-E600 PolarHBondContact O-N 3.15Å; I433-E600 HydrophobicContact CB-CG 4.24Å; I433-E600 HydrophobicContact CG2-CG 4.34Å; I435-E600 HydrophobicContact CD1-CG 4.07Å; I435-E600 WeakPolarHBondContact CD1-OE1 3.4Å
601	V	94.4	Very high	85.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	107	177.6	175.4	0	0	0	0	107.8	I380 V382 I418 Q421 L432 I433 I435	I380-V601 HydrophobicContact CG2-CG1 4.04Å; V382-V601 HydrophobicContact CG2-CG2 4.49Å; I418-V601 HydrophobicContact CD1-CG1 3.97Å; Q421-V601 HydrophobicContact CB-CG1 3.85Å; Q421-V601 HydrophobicContact CG-CB 4.44Å; Q421-V601 HydrophobicContact CG-CG1 3.61Å; Q421-V601 HydrophobicContact CG-CG2 3.88Å; L432-V601 HydrophobicContact CD1-CB 4.31Å; L432-V601 HydrophobicContact CD1-CG2 3.73Å; I433-V601 PolarHBondContact O-N 3.43Å; I435-V601 PolarHBondContact N-O 3.31Å
602	Q	92.4	Very high	85.9	Confident	17 Å²	17	49.8 Å²	49.8	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.8	177.6	-173.8	-168	-56.2	0	0	109.3	I380 I381 I435 G604	I380-Q602 CarbonylContact C-O 3.58Å; I380-Q602 WeakPolarHBondContact CA-O 3.44Å; I381-Q602 HydrophobicContact CB-CB 4.34Å; I381-Q602 PolarHBondContact N-O 2.8Å; I381-Q602 PolarHBondContact O-N 3.18Å; I435-Q602 HydrophobicContact CB-CB 4.32Å; I435-Q602 HydrophobicContact CB-CG 4.19Å; I435-Q602 HydrophobicContact CG2-CG 4.21Å; I435-Q602 CarbonylContact O-C 3.51Å; I435-Q602 WeakPolarHBondContact O-CA 3.48Å; Q602-G604 PolarHBondContact NE2-O 3.4Å
603	V	89.1	Confident	86	Confident	6 Å²	6	41.3 Å²	41.3	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121	176.7	176.8	0	0	0	0	108.7	E378 I380 P417 I418 I435 A436	E378-V603 HydrophobicContact CB-CG1 4.1Å; I380-V603 HydrophobicContact CD1-CG2 4.46Å; I380-V603 HydrophobicContact CG1-CG2 4.15Å; I380-V603 HydrophobicContact CG2-CG2 4.32Å; P417-V603 HydrophobicContact CB-CG1 3.68Å; P417-V603 HydrophobicContact CB-CG2 4.46Å; I418-V603 HydrophobicContact CB-CG2 3.93Å; I418-V603 HydrophobicContact CD1-CG2 3.89Å; I418-V603 HydrophobicContact CG1-CG2 4.49Å; I435-V603 PolarHBondContact O-N 2.93Å; A436-V603 HydrophobicContact CB-CB 4.04Å
604	G	80.8	Confident	86.3	Confident	26 Å²	26	38.9 Å²	38.9	27%	0.268	23%	0.225	S	C	.	.	S	Bend	trans	69.7	-163.3	-167.7	0	0	0	0	0	112.7	E378 Q602	E378-G604 WeakPolarHBondContact O-CA 3.43Å; E378-G604 PolarHBondContact O-N 2.84Å; E378-G604 VanDerWaalsContact O-N 3.1Å; Q602-G604 PolarHBondContact NE2-O 3.4Å
605	G	73.2	Confident	86.4	Confident	41 Å²	41	39 Å²	39	42%	0.423	23%	0.226	S	C	.	.	S	Bend	trans	-73	149.3	178.8	0	0	0	0	0	113.8	S607 V608	G605-S607 PolarHBondContact O-N 3.49Å; G605-V608 PolarHBondContact O-N 3.28Å
606	R	71.7	Confident	86.5	Confident	89 Å²	89	40.8 Å²	40.8	34%	0.336	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	115.5	175.8	-173.3	177	-176	160.1	4.2	109.3	F583 E588 V608	F583-R606 HydrophobicContact CB-CG 4.44Å; F583-R606 VanDerWaalsContact CD1-NH2 3.32Å; F583-R606 PolarHBondContact O-NE 3.32Å; F583-R606 PolarHBondContact O-NH2 3.45Å; E588-R606 IonicContact OE2-NH2 2.8Å; E588-R606 PolarHBondContact OE2-NH2 2.87Å; E588-R606 VanDerWaalsContact OE2-NH2 3.15Å; R606-V608 VanDerWaalsContact C-N 3.35Å; R606-V608 PolarHBondContact O-N 3.48Å
607	S	72.3	Confident	86.7	Confident	8 Å²	8	37.9 Å²	37.9	6%	0.056	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	23.8	178.9	-47.2	0	0	0	0	116.2	T582 F583 G605 Y720 V724	T582-S607 VanDerWaalsContact CA-OG 3.29Å; T582-S607 WeakPolarHBondContact CA-OG 3.38Å; T582-S607 VanDerWaalsContact CB-OG 3.31Å; T582-S607 WeakPolarHBondContact CB-OG 3.49Å; F583-S607 PolarHBondContact N-OG 2.65Å; G605-S607 PolarHBondContact O-N 3.49Å; S607-Y720 WeakPolarHBondContact O-CE1 3.47Å; S607-Y720 PolarHBondContact O-OH 2.88Å; S607-V724 VanDerWaalsContact O-CG2 3.28Å; S607-V724 WeakPolarHBondContact O-CG2 3.3Å
608	V	79.4	Confident	86.8	Confident	25 Å²	25	31.1 Å²	31.1	15%	0.152	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-87.9	146.3	-176	-176.8	0	0	0	0	112.8	G605 R606 L760	G605-V608 PolarHBondContact O-N 3.28Å; R606-V608 VanDerWaalsContact C-N 3.35Å; R606-V608 PolarHBondContact O-N 3.48Å; V608-L760 HydrophobicContact CG1-CB 4.16Å; V608-L760 WeakPolarHBondContact CG1-O 3.37Å; V608-L760 HydrophobicContact CG2-CB 3.9Å; V608-L760 HydrophobicContact CG2-CD1 4.36Å
609	V	79.9	Confident	86.8	Confident	9 Å²	9	31.2 Å²	31.2	6%	0.055	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-69.3	149.6	176	-172.4	0	0	0	0	111.1	S611 V613 Y723 V724 A727	V609-S611 PolarHBondContact O-N 2.82Å; V609-V613 HydrophobicContact CG1-CB 4.28Å; V609-V613 HydrophobicContact CG1-CG2 4.47Å; V609-Y723 HydrophobicContact CG2-CD1 4.36Å; V609-Y723 HydrophobicContact CG2-CE1 4.2Å; V609-V724 HydrophobicContact CG2-CB 4.27Å; V609-V724 HydrophobicContact CG2-CG1 4.26Å; V609-V724 HydrophobicContact CG2-CG2 3.87Å; V609-A727 HydrophobicContact CG1-CB 4.02Å
610	C	78.8	Confident	86.7	Confident	6 Å²	6	32.1 Å²	32.1	4%	0.041	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-66.4	130.6	178.6	-168.3	0	0	0	0	111.3	K437 D612 V613	K437-C610 HydrophobicContact CD-CB 4.33Å; C610-D612 PolarHBondContact O-N 3.07Å; C610-V613 HydrophobicContact CB-CG2 4.3Å; C610-V613 WeakPolarHBondContact O-CB 3.23Å; C610-V613 PolarHBondContact O-N 3Å
611	S	81.6	Confident	86.7	Confident	98 Å²	98	34.3 Å²	34.3	69%	0.685	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.3	176.3	55	0	0	0	0	114.9	V609 V613	V609-S611 PolarHBondContact O-N 2.82Å; S611-V613 PolarHBondContact O-N 2.83Å
612	D	85.9	Confident	86.5	Confident	53 Å²	53	38.9 Å²	38.9	28%	0.283	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.3	172.7	-63.6	-33.5	0	0	0	112.8	C610 K736 G737	C610-D612 PolarHBondContact O-N 3.07Å; D612-K736 CarbonylContact O-C 3.56Å; D612-K736 WeakPolarHBondContact O-CA 3.4Å; D612-G737 PolarHBondContact O-N 3.35Å
613	V	89.9	Confident	86.4	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.6	176.9	-173.9	0	0	0	0	110	V609 C610 S611 Q615 T730 G737 A739	V609-V613 HydrophobicContact CG1-CB 4.28Å; V609-V613 HydrophobicContact CG1-CG2 4.47Å; C610-V613 HydrophobicContact CB-CG2 4.3Å; C610-V613 WeakPolarHBondContact O-CB 3.23Å; C610-V613 PolarHBondContact O-N 3Å; S611-V613 PolarHBondContact O-N 2.83Å; V613-Q615 HydrophobicContact CG1-CG 4.05Å; V613-T730 HydrophobicContact CG1-CG2 4.08Å; V613-T730 HydrophobicContact CG2-CG2 4.18Å; V613-G737 WeakPolarHBondContact CA-O 3.47Å; V613-A739 HydrophobicContact CG1-CB 3.57Å
614	E	92.2	Very high	86.6	Confident	96 Å²	96	51.7 Å²	51.7	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.4	167.9	-161.7	170.6	151.9	0	0	108.8	H616 G737 Y738 A739	E614-H616 IonicContact OE1-CE1 3.46Å; E614-H616 PolarHBondContact OE1-CE1 2.84Å; E614-H616 IonicContact OE1-NE2 3.35Å; E614-G737 PolarHBondContact N-O 3.21Å; E614-Y738 HydrophobicContact CB-CD1 3.88Å; E614-Y738 HydrophobicContact CB-CE1 4.21Å; E614-Y738 HydrophobicContact CG-CD1 4.49Å; E614-Y738 CarbonylContact O-C 3.57Å; E614-Y738 WeakPolarHBondContact O-CA 3.28Å; E614-A739 PolarHBondContact O-N 3.44Å
615	Q	93.7	Very high	87.3	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.4	-172.6	-66.8	171.3	111	0	0	110.1	V613 Y723 A739 L758 S761 S763	V613-Q615 HydrophobicContact CG1-CG 4.05Å; Q615-Y723 PolarHBondContact OE1-OH 3.48Å; Q615-A739 WeakPolarHBondContact CA-O 3.02Å; Q615-A739 HydrophobicContact CG-CB 4.37Å; Q615-L758 HydrophobicContact CB-CD2 3.62Å; Q615-S761 PolarHBondContact NE2-OG 2.82Å; Q615-S763 PolarHBondContact NE2-OG 2.82Å
616	H	93.9	Very high	88.4	Confident	48 Å²	48	51 Å²	51	22%	0.222	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.3	175.4	-49.8	-73.5	0	0	0	108.6	E614 A739 Y740 T741	E614-H616 IonicContact OE1-CE1 3.46Å; E614-H616 PolarHBondContact OE1-CE1 2.84Å; E614-H616 IonicContact OE1-NE2 3.35Å; H616-A739 PolarHBondContact N-O 2.81Å; H616-Y740 HydrophobicContact CB-CD1 3.74Å; H616-Y740 HydrophobicContact CB-CE1 3.89Å; H616-Y740 HydrophobicContact CB-CG 4.2Å; H616-Y740 AromaticContact CD2-CD2 3.85Å; H616-Y740 AromaticContact CD2-CE1 3.61Å; H616-Y740 AromaticContact CD2-CE2 3.45Å; H616-Y740 VanDerWaalsContact CD2-CE2 3.45Å; H616-Y740 WeakPolarHBondContact CD2-CE2 3.35Å; H616-Y740 AromaticContact CD2-CZ 3.31Å; H616-Y740 AromaticContact CG-CE1 3.85Å; H616-Y740 AromaticContact NE2-CZ 3.84Å; H616-Y740 CarbonylContact O-C 3.59Å; H616-Y740 VanDerWaalsContact O-CA 3.31Å; H616-Y740 WeakPolarHBondContact O-CA 3.41Å; H616-T741 PolarHBondContact O-N 2.87Å
617	V	94.8	Very high	89.5	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.3	173.3	-173.3	0	0	0	0	107.4	T741 I743 I754 L758 P766 L769	V617-T741 WeakPolarHBondContact CA-O 3.45Å; V617-I743 HydrophobicContact CG1-CG2 4.05Å; V617-I754 HydrophobicContact CG1-CG2 4.24Å; V617-I754 HydrophobicContact CG2-CG2 3.63Å; V617-L758 HydrophobicContact CG2-CD1 3.95Å; V617-L758 HydrophobicContact CG2-CD2 4.36Å; V617-P766 HydrophobicContact CB-CG 4.23Å; V617-P766 WeakPolarHBondContact O-CG 3Å; V617-L769 HydrophobicContact CB-CD2 4.16Å; V617-L769 HydrophobicContact CG1-CD1 4.02Å; V617-L769 HydrophobicContact CG1-CD2 3.95Å; V617-L769 HydrophobicContact CG2-CD2 4.41Å
618	L	94.2	Very high	90.6	Very high	48 Å²	48	54.9 Å²	54.9	25%	0.251	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.6	-178.7	-59.5	177	0	0	0	108.1	K628 T741 F742 I743	L618-K628 HydrophobicContact CD1-CD 4.2Å; L618-K628 HydrophobicContact CD1-CG 3.92Å; L618-T741 PolarHBondContact N-O 2.97Å; L618-F742 HydrophobicContact CB-CD1 4.45Å; L618-F742 HydrophobicContact CD1-CD1 4.37Å; L618-F742 HydrophobicContact CD1-CE1 4.12Å; L618-I743 PolarHBondContact O-N 2.84Å; L618-I743 VanDerWaalsContact O-N 3.08Å
619	V	94.5	Very high	91.4	Very high	38 Å²	38	53.7 Å²	53.7	23%	0.23	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.5	167.3	-174.1	0	0	0	0	106.7	I743 E768 L772	V619-I743 WeakPolarHBondContact CA-O 3.27Å; V619-I743 HydrophobicContact CB-CG2 4.46Å; V619-I743 HydrophobicContact CG2-CG2 4Å; V619-E768 HydrophobicContact CB-CB 4.22Å; V619-E768 HydrophobicContact CG2-CB 3.77Å; V619-L772 HydrophobicContact CG1-CD2 4.25Å; V619-L772 HydrophobicContact CG2-CD2 4.25Å
620	I	93.9	Very high	92.1	Very high	20 Å²	20	55 Å²	55	10%	0.103	28%	0.278	C	S	.	.			trans	-158.5	133	-168.7	-171.3	167.2	0	0	0	112.5	K624 K625 K628 F742 I743	I620-K624 HydrophobicContact CD1-CB 3.83Å; I620-K624 HydrophobicContact CG1-CB 3.63Å; I620-K625 HydrophobicContact CG2-CG 3.95Å; I620-K628 HydrophobicContact CD1-CB 3.54Å; I620-K628 HydrophobicContact CD1-CD 4.33Å; I620-K628 HydrophobicContact CD1-CG 3.85Å; I620-F742 HydrophobicContact CG2-CB 3.7Å; I620-F742 HydrophobicContact CG2-CD1 4.22Å; I620-F742 HydrophobicContact CG2-CG 3.99Å; I620-I743 PolarHBondContact N-O 2.6Å
621	D	93.4	Very high	92.8	Very high	71 Å²	71	59.3 Å²	59.3	38%	0.38	30%	0.298	S	S	.	.			trans	-61.8	147.7	176.2	-39.4	-33.9	0	0	0	111.8	E623 K624 K625	D621-E623 VanDerWaalsContact C-N 3.29Å; D621-E623 PolarHBondContact O-N 2.99Å; D621-K624 HydrophobicContact CB-CD 4.25Å; D621-K624 HydrophobicContact CB-CG 4.44Å; D621-K624 PolarHBondContact O-N 3.04Å; D621-K624 VanDerWaalsContact OD2-CD 3.28Å; D621-K624 WeakPolarHBondContact OD2-CD 3.34Å; D621-K624 WeakPolarHBondContact OD2-CE 3.49Å; D621-K624 IonicContact OD2-NZ 3.99Å; D621-K624 PolarHBondContact OD2-NZ 3.23Å; D621-K625 PolarHBondContact O-N 3.42Å
622	E	90.4	Very high	93.5	Very high	95 Å²	95	54.8 Å²	54.8	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-54.4	-43	-175.4	-159.9	65.9	-132	0	0	112.6	K624 K625 T744	E622-K624 VanDerWaalsContact C-N 3.28Å; E622-K624 PolarHBondContact O-N 3.36Å; E622-K625 WeakPolarHBondContact O-CB 3.29Å; E622-K625 PolarHBondContact O-N 3.36Å; E622-K625 VanDerWaalsContact OE1-CD 3.28Å; E622-K625 WeakPolarHBondContact OE1-CD 3.42Å; E622-K625 WeakPolarHBondContact OE1-CE 3.46Å; E622-K625 IonicContact OE1-NZ 3.69Å; E622-K625 PolarHBondContact OE1-NZ 2.82Å; E622-K625 VanDerWaalsContact OE2-CE 3.29Å; E622-K625 WeakPolarHBondContact OE2-CE 3.25Å; E622-K625 IonicContact OE2-NZ 2.95Å; E622-K625 PolarHBondContact OE2-NZ 3.31Å; E622-T744 VanDerWaalsContact OE2-CG2 3.31Å; E622-T744 WeakPolarHBondContact OE2-CG2 3.21Å
623	E	91.6	Very high	93.8	Very high	178 Å²	178	52.2 Å²	52.2	83%	0.832	25%	0.252	S	S	*	.	H	α-helix	trans	-60.2	-35.1	177.9	-58.6	-174.9	168.4	0	0	113.1	D621	D621-E623 VanDerWaalsContact C-N 3.29Å; D621-E623 PolarHBondContact O-N 2.99Å
624	K	93.4	Very high	93.9	Very high	115 Å²	115	54.4 Å²	54.4	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-82.8	-19.7	-175.3	-65.1	174.1	-175.1	162.3	0	112.2	I620 D621 E622 F626 L627 K628	I620-K624 HydrophobicContact CD1-CB 3.83Å; I620-K624 HydrophobicContact CG1-CB 3.63Å; D621-K624 HydrophobicContact CB-CD 4.25Å; D621-K624 HydrophobicContact CB-CG 4.44Å; D621-K624 PolarHBondContact O-N 3.04Å; D621-K624 VanDerWaalsContact OD2-CD 3.28Å; D621-K624 WeakPolarHBondContact OD2-CD 3.34Å; D621-K624 WeakPolarHBondContact OD2-CE 3.49Å; D621-K624 IonicContact OD2-NZ 3.99Å; D621-K624 PolarHBondContact OD2-NZ 3.23Å; E622-K624 VanDerWaalsContact C-N 3.28Å; E622-K624 PolarHBondContact O-N 3.36Å; K624-F626 VanDerWaalsContact C-N 3.34Å; K624-F626 PolarHBondContact O-N 2.94Å; K624-L627 PolarHBondContact O-N 3Å; K624-K628 PolarHBondContact O-N 2.87Å
625	K	94.6	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-41.7	-179.4	-70.8	-178.1	-176.5	176.7	0	113.5	I620 D621 E622 K628 L629 Y714 F742	I620-K625 HydrophobicContact CG2-CG 3.95Å; D621-K625 PolarHBondContact O-N 3.42Å; E622-K625 WeakPolarHBondContact O-CB 3.29Å; E622-K625 PolarHBondContact O-N 3.36Å; E622-K625 VanDerWaalsContact OE1-CD 3.28Å; E622-K625 WeakPolarHBondContact OE1-CD 3.42Å; E622-K625 WeakPolarHBondContact OE1-CE 3.46Å; E622-K625 IonicContact OE1-NZ 3.69Å; E622-K625 PolarHBondContact OE1-NZ 2.82Å; E622-K625 VanDerWaalsContact OE2-CE 3.29Å; E622-K625 WeakPolarHBondContact OE2-CE 3.25Å; E622-K625 IonicContact OE2-NZ 2.95Å; E622-K625 PolarHBondContact OE2-NZ 3.31Å; K625-K628 PolarHBondContact O-N 2.87Å; K625-L629 VanDerWaalsContact O-CB 3.32Å; K625-L629 WeakPolarHBondContact O-CB 3.42Å; K625-L629 PolarHBondContact O-N 3Å; K625-Y714 HydrophobicContact CB-CD2 4.45Å; K625-Y714 HydrophobicContact CB-CE1 4.22Å; K625-Y714 HydrophobicContact CB-CE2 3.71Å; K625-Y714 WeakPolarHBondContact CB-OH 3.49Å; K625-Y714 HydrophobicContact CD-CD1 4.36Å; K625-Y714 HydrophobicContact CD-CE1 4Å; K625-Y714 PolarHBondContact NZ-O 2.73Å; K625-F742 HydrophobicContact CB-CD2 3.8Å; K625-F742 HydrophobicContact CB-CE2 4.09Å; K625-F742 HydrophobicContact CD-CB 4.2Å; K625-F742 HydrophobicContact CD-CD2 4.03Å; K625-F742 HydrophobicContact CG-CB 4.18Å; K625-F742 HydrophobicContact CG-CD2 3.71Å; K625-F742 HydrophobicContact CG-CE2 4.45Å; K625-F742 HydrophobicContact CG-CG 4.23Å; K625-F742 WeakPolarHBondContact O-CE2 3.48Å
626	F	95.4	Very high	93.6	Very high	53 Å²	53	55.8 Å²	55.8	23%	0.232	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-43.6	-178.4	-175.2	-108.4	0	0	0	111.7	K624 L629 L630 L655 D658 L659 A662 Y714	K624-F626 VanDerWaalsContact C-N 3.34Å; K624-F626 PolarHBondContact O-N 2.94Å; F626-L629 WeakPolarHBondContact O-CB 3.16Å; F626-L629 PolarHBondContact O-N 2.79Å; F626-L630 HydrophobicContact CD1-CD1 4.13Å; F626-L630 HydrophobicContact CE1-CD1 3.67Å; F626-L630 HydrophobicContact CE1-CG 4.28Å; F626-L630 HydrophobicContact CZ-CD1 4.07Å; F626-L630 HydrophobicContact CZ-CD2 4.28Å; F626-L630 HydrophobicContact CZ-CG 4.32Å; F626-L630 WeakPolarHBondContact O-CG 3.44Å; F626-L630 PolarHBondContact O-N 2.94Å; F626-L655 HydrophobicContact CD2-CD1 3.82Å; F626-L655 HydrophobicContact CE2-CD1 4.01Å; F626-D658 HydrophobicContact CE2-CB 3.8Å; F626-D658 HydrophobicContact CZ-CB 3.92Å; F626-L659 HydrophobicContact CE2-CD2 4.29Å; F626-L659 HydrophobicContact CE2-CG 4.44Å; F626-A662 HydrophobicContact CZ-CB 4.29Å; F626-Y714 PolarHBondContact N-OH 3.03Å
627	L	94.7	Very high	93.2	Very high	122 Å²	122	55.9 Å²	55.9	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-64	-42.1	175.4	-65.7	174.9	0	0	0	111.6	K624 L629 L630 E631	K624-L627 PolarHBondContact O-N 3Å; L627-L629 VanDerWaalsContact C-N 3.33Å; L627-L629 PolarHBondContact O-N 3.48Å; L627-L630 PolarHBondContact O-N 3.44Å; L627-E631 PolarHBondContact O-N 2.96Å; L627-E631 VanDerWaalsContact O-N 3.09Å
628	K	95.6	Very high	92.7	Very high	55 Å²	55	63.9 Å²	63.9	24%	0.239	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-35.5	176.3	-163.5	74.2	-154.6	169.4	0	112.5	L618 I620 K624 K625 E631 I632 F742	L618-K628 HydrophobicContact CD1-CD 4.2Å; L618-K628 HydrophobicContact CD1-CG 3.92Å; I620-K628 HydrophobicContact CD1-CB 3.54Å; I620-K628 HydrophobicContact CD1-CD 4.33Å; I620-K628 HydrophobicContact CD1-CG 3.85Å; K624-K628 PolarHBondContact O-N 2.87Å; K625-K628 PolarHBondContact O-N 2.87Å; K628-E631 WeakPolarHBondContact CE-OE1 3.26Å; K628-E631 WeakPolarHBondContact CE-OE2 3.16Å; K628-E631 IonicContact NZ-OE1 3.47Å; K628-E631 PolarHBondContact NZ-OE1 3.4Å; K628-E631 IonicContact NZ-OE2 3.64Å; K628-E631 PolarHBondContact NZ-OE2 3.11Å; K628-E631 PolarHBondContact O-N 3.49Å; K628-I632 HydrophobicContact CG-CD1 4.24Å; K628-I632 WeakPolarHBondContact O-CD1 3.21Å; K628-I632 VanDerWaalsContact O-CG1 3.32Å; K628-I632 WeakPolarHBondContact O-CG1 3.47Å; K628-I632 PolarHBondContact O-N 2.8Å; K628-I632 VanDerWaalsContact O-N 3.11Å; K628-F742 HydrophobicContact CB-CE1 4.43Å; K628-F742 HydrophobicContact CB-CZ 4.1Å; K628-F742 HydrophobicContact CG-CE1 4.01Å; K628-F742 HydrophobicContact CG-CZ 4.11Å
629	L	96.1	Very high	92.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-47	172.4	176.9	66.7	0	0	0	111	K625 F626 L627 E631 I632 L633 I644 L655 L659 V712 Y714 F742	K625-L629 VanDerWaalsContact O-CB 3.32Å; K625-L629 WeakPolarHBondContact O-CB 3.42Å; K625-L629 PolarHBondContact O-N 3Å; F626-L629 WeakPolarHBondContact O-CB 3.16Å; F626-L629 PolarHBondContact O-N 2.79Å; L627-L629 VanDerWaalsContact C-N 3.33Å; L627-L629 PolarHBondContact O-N 3.48Å; L629-E631 PolarHBondContact O-N 3.17Å; L629-I632 PolarHBondContact O-N 3.47Å; L629-L633 HydrophobicContact CD1-CD1 4.1Å; L629-L633 HydrophobicContact CD1-CG 4.06Å; L629-L633 HydrophobicContact CD2-CD1 4.42Å; L629-L633 HydrophobicContact CG-CD1 3.87Å; L629-L633 HydrophobicContact CG-CG 4.23Å; L629-L633 WeakPolarHBondContact O-CB 3.3Å; L629-L633 VanDerWaalsContact O-CG 3.27Å; L629-L633 WeakPolarHBondContact O-CG 3.5Å; L629-L633 PolarHBondContact O-N 2.86Å; L629-I644 HydrophobicContact CD1-CD1 3.83Å; L629-I644 HydrophobicContact CD1-CG1 4.02Å; L629-I644 HydrophobicContact CD2-CD1 3.93Å; L629-I644 HydrophobicContact CG-CD1 4.4Å; L629-L655 HydrophobicContact CD2-CD1 3.87Å; L629-L655 HydrophobicContact CD2-CD2 4.16Å; L629-L655 HydrophobicContact CD2-CG 4.4Å; L629-L659 HydrophobicContact CD2-CD1 4.46Å; L629-L659 HydrophobicContact CD2-CD2 4.04Å; L629-V712 HydrophobicContact CD1-CB 4.39Å; L629-V712 HydrophobicContact CD1-CG1 4.01Å; L629-V712 HydrophobicContact CD1-CG2 4.32Å; L629-Y714 HydrophobicContact CB-CD2 4.32Å; L629-Y714 HydrophobicContact CB-CE2 4.19Å; L629-Y714 HydrophobicContact CD2-CD2 3.89Å; L629-Y714 HydrophobicContact CD2-CE2 3.93Å; L629-F742 HydrophobicContact CB-CE2 4.21Å; L629-F742 HydrophobicContact CB-CZ 4.38Å
630	L	94.9	Very high	91.9	Very high	37 Å²	37	66.1 Å²	66.1	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-39.8	178.9	-66.3	178.5	0	0	0	112.4	F626 L627 L633 G634 L659 A662 Y664	F626-L630 HydrophobicContact CD1-CD1 4.13Å; F626-L630 HydrophobicContact CE1-CD1 3.67Å; F626-L630 HydrophobicContact CE1-CG 4.28Å; F626-L630 HydrophobicContact CZ-CD1 4.07Å; F626-L630 HydrophobicContact CZ-CD2 4.28Å; F626-L630 HydrophobicContact CZ-CG 4.32Å; F626-L630 WeakPolarHBondContact O-CG 3.44Å; F626-L630 PolarHBondContact O-N 2.94Å; L627-L630 PolarHBondContact O-N 3.44Å; L630-L633 PolarHBondContact O-N 2.86Å; L630-G634 PolarHBondContact O-N 2.9Å; L630-L659 HydrophobicContact CD2-CD2 4.07Å; L630-A662 HydrophobicContact CD1-CB 4.47Å; L630-A662 HydrophobicContact CD2-CB 4.01Å; L630-Y664 HydrophobicContact CD2-CD2 3.84Å; L630-Y664 HydrophobicContact CD2-CE2 3.57Å
631	E	94.9	Very high	91.8	Very high	96 Å²	96	65.4 Å²	65.4	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-57.6	-50.6	172.9	-174.9	-161.4	127.7	0	0	111.5	L627 K628 L629 G634 H635	L627-E631 PolarHBondContact O-N 2.96Å; L627-E631 VanDerWaalsContact O-N 3.09Å; K628-E631 WeakPolarHBondContact CE-OE1 3.26Å; K628-E631 WeakPolarHBondContact CE-OE2 3.16Å; K628-E631 IonicContact NZ-OE1 3.47Å; K628-E631 PolarHBondContact NZ-OE1 3.4Å; K628-E631 IonicContact NZ-OE2 3.64Å; K628-E631 PolarHBondContact NZ-OE2 3.11Å; K628-E631 PolarHBondContact O-N 3.49Å; L629-E631 PolarHBondContact O-N 3.17Å; E631-G634 PolarHBondContact O-N 3.25Å; E631-H635 PolarHBondContact O-CD2 2.83Å; E631-H635 VanDerWaalsContact O-CD2 3.27Å; E631-H635 PolarHBondContact O-N 3.49Å
632	I	94.8	Very high	91.8	Very high	3 Å²	3	62 Å²	62	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-44.4	179.1	-66.6	164.8	0	0	0	110.5	K628 L629 G634 H635 Y636 L710 V712 Y740 F742	K628-I632 HydrophobicContact CG-CD1 4.24Å; K628-I632 WeakPolarHBondContact O-CD1 3.21Å; K628-I632 VanDerWaalsContact O-CG1 3.32Å; K628-I632 WeakPolarHBondContact O-CG1 3.47Å; K628-I632 PolarHBondContact O-N 2.8Å; K628-I632 VanDerWaalsContact O-N 3.11Å; L629-I632 PolarHBondContact O-N 3.47Å; I632-G634 VanDerWaalsContact C-N 3.34Å; I632-G634 PolarHBondContact O-N 3.24Å; I632-H635 PolarHBondContact O-N 3.27Å; I632-Y636 HydrophobicContact CG2-CD2 3.85Å; I632-Y636 HydrophobicContact CG2-CE2 4.23Å; I632-Y636 VanDerWaalsContact O-CD2 3.29Å; I632-Y636 WeakPolarHBondContact O-CD2 3.33Å; I632-Y636 PolarHBondContact O-N 3.16Å; I632-L710 HydrophobicContact CG2-CD1 4.28Å; I632-L710 HydrophobicContact CG2-CD2 3.65Å; I632-V712 HydrophobicContact CG2-CG2 4.35Å; I632-Y740 HydrophobicContact CD1-CD1 3.53Å; I632-Y740 HydrophobicContact CD1-CE1 4.04Å; I632-Y740 HydrophobicContact CD1-CG 3.92Å; I632-Y740 HydrophobicContact CG1-CD1 4.18Å; I632-Y740 HydrophobicContact CG1-CE1 4.2Å; I632-Y740 HydrophobicContact CG2-CD2 4.26Å; I632-Y740 HydrophobicContact CG2-CE2 4.34Å; I632-Y740 HydrophobicContact CG2-CG 4.43Å; I632-F742 HydrophobicContact CD1-CE1 3.79Å; I632-F742 HydrophobicContact CD1-CZ 3.93Å
633	L	94	Very high	92	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-42.2	178.3	-71.3	176.9	0	0	0	111.9	L629 L630 H635 Y636 Q637 V642 I644 L659 Y664 L692	L629-L633 HydrophobicContact CD1-CD1 4.1Å; L629-L633 HydrophobicContact CD1-CG 4.06Å; L629-L633 HydrophobicContact CD2-CD1 4.42Å; L629-L633 HydrophobicContact CG-CD1 3.87Å; L629-L633 HydrophobicContact CG-CG 4.23Å; L629-L633 WeakPolarHBondContact O-CB 3.3Å; L629-L633 VanDerWaalsContact O-CG 3.27Å; L629-L633 WeakPolarHBondContact O-CG 3.5Å; L629-L633 PolarHBondContact O-N 2.86Å; L630-L633 PolarHBondContact O-N 2.86Å; L633-H635 PolarHBondContact O-N 3.31Å; L633-H635 VanDerWaalsContact O-N 3.16Å; L633-Y636 PolarHBondContact O-N 3.41Å; L633-Q637 VanDerWaalsContact O-CB 3.23Å; L633-Q637 WeakPolarHBondContact O-CB 3.31Å; L633-Q637 PolarHBondContact O-N 2.81Å; L633-V642 HydrophobicContact CD2-CG1 3.95Å; L633-I644 HydrophobicContact CD1-CD1 4.46Å; L633-L659 HydrophobicContact CD1-CD2 3.59Å; L633-Y664 HydrophobicContact CB-CD1 4.12Å; L633-Y664 HydrophobicContact CB-CE1 3.62Å; L633-Y664 HydrophobicContact CD1-CD1 4.01Å; L633-Y664 HydrophobicContact CD1-CE1 4.27Å; L633-L692 HydrophobicContact CD1-CD2 3.86Å; L633-L692 HydrophobicContact CD2-CD1 3.6Å; L633-L692 HydrophobicContact CD2-CD2 4.1Å
634	G	91.4	Very high	92.2	Very high	51 Å²	51	49 Å²	49	53%	0.526	24%	0.242	S	C	.	.	H	α-helix	trans	-57.2	-27.9	173.9	0	0	0	0	0	113.8	L630 E631 I632	L630-G634 PolarHBondContact O-N 2.9Å; E631-G634 PolarHBondContact O-N 3.25Å; I632-G634 VanDerWaalsContact C-N 3.34Å; I632-G634 PolarHBondContact O-N 3.24Å
635	H	89.9	Confident	92.4	Very high	114 Å²	114	43.6 Å²	43.6	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-86.6	-20.4	175	-71.8	-52.2	0	0	0	115.2	E631 I632 L633 K639	E631-H635 PolarHBondContact O-CD2 2.83Å; E631-H635 VanDerWaalsContact O-CD2 3.27Å; E631-H635 PolarHBondContact O-N 3.49Å; I632-H635 PolarHBondContact O-N 3.27Å; L633-H635 PolarHBondContact O-N 3.31Å; L633-H635 VanDerWaalsContact O-N 3.16Å; H635-K639 VanDerWaalsContact O-CD 3.32Å; H635-K639 WeakPolarHBondContact O-CD 3.42Å; H635-K639 WeakPolarHBondContact O-CE 3.29Å; H635-K639 PolarHBondContact O-NZ 2.85Å
636	Y	89.5	Confident	92.4	Very high	21 Å²	21	43.6 Å²	43.6	8%	0.082	22%	0.218	C	C	.	.	H	α-helix	trans	-126.3	-22.1	-168.8	-70.8	-77.3	0	0	0	116.2	I632 L633 E638 K639 G640 I709 L710 Y738 Y740	I632-Y636 HydrophobicContact CG2-CD2 3.85Å; I632-Y636 HydrophobicContact CG2-CE2 4.23Å; I632-Y636 VanDerWaalsContact O-CD2 3.29Å; I632-Y636 WeakPolarHBondContact O-CD2 3.33Å; I632-Y636 PolarHBondContact O-N 3.16Å; L633-Y636 PolarHBondContact O-N 3.41Å; Y636-E638 VanDerWaalsContact C-N 3.34Å; Y636-E638 PolarHBondContact O-N 3.25Å; Y636-K639 HydrophobicContact CD1-CD 4.11Å; Y636-K639 WeakPolarHBondContact O-CB 3.42Å; Y636-K639 PolarHBondContact O-N 3.35Å; Y636-G640 PolarHBondContact O-N 3.21Å; Y636-I709 HydrophobicContact CD1-CG2 4.32Å; Y636-L710 HydrophobicContact CD2-CD1 4.42Å; Y636-L710 HydrophobicContact CD2-CD2 3.88Å; Y636-L710 HydrophobicContact CG-CB 4.44Å; Y636-L710 HydrophobicContact CG-CD2 3.91Å; Y636-Y738 HydrophobicContact CD1-CD2 4.37Å; Y636-Y738 HydrophobicContact CE1-CD1 4.34Å; Y636-Y738 AromaticContact CE1-CD2 3.61Å; Y636-Y738 HydrophobicContact CE1-CD2 3.61Å; Y636-Y738 AromaticContact CE1-CE2 3.89Å; Y636-Y738 HydrophobicContact CE1-CE2 3.89Å; Y636-Y738 AromaticContact CE1-CG 3.87Å; Y636-Y738 HydrophobicContact CE1-CG 3.87Å; Y636-Y738 WeakPolarHBondContact OH-CD1 3.44Å; Y636-Y740 AromaticContact CE2-CE2 3.68Å; Y636-Y740 HydrophobicContact CE2-CE2 3.68Å; Y636-Y740 AromaticContact CE2-CZ 3.95Å; Y636-Y740 PolarHBondContact OH-OH 2.72Å; Y636-Y740 VanDerWaalsContact OH-OH 3.14Å
637	Q	84.3	Confident	92.1	Very high	50 Å²	50	44.3 Å²	44.3	23%	0.234	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41.3	-175.1	-172.3	-168.8	23.6	0	0	112.8	L633 K639 Y664 R691	L633-Q637 VanDerWaalsContact O-CB 3.23Å; L633-Q637 WeakPolarHBondContact O-CB 3.31Å; L633-Q637 PolarHBondContact O-N 2.81Å; Q637-K639 VanDerWaalsContact C-N 3.3Å; Q637-K639 PolarHBondContact O-N 2.82Å; Q637-Y664 VanDerWaalsContact OE1-CE1 3.26Å; Q637-R691 PolarHBondContact O-NH2 2.97Å
638	E	84.9	Confident	91.9	Very high	174 Å²	174	42.9 Å²	42.9	81%	0.813	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.9	176.8	-64.1	-160.1	145	0	0	113.3	Y636 R691	Y636-E638 VanDerWaalsContact C-N 3.34Å; Y636-E638 PolarHBondContact O-N 3.25Å; E638-R691 PolarHBondContact O-NH1 2.86Å; E638-R691 PolarHBondContact O-NH2 2.88Å
639	K	86.2	Confident	91.8	Very high	132 Å²	132	44.3 Å²	44.3	57%	0.574	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-43.7	-172.6	-64.1	177.1	-178.5	153.8	0	113.4	H635 Y636 Q637 I709	H635-K639 VanDerWaalsContact O-CD 3.32Å; H635-K639 WeakPolarHBondContact O-CD 3.42Å; H635-K639 WeakPolarHBondContact O-CE 3.29Å; H635-K639 PolarHBondContact O-NZ 2.85Å; Y636-K639 HydrophobicContact CD1-CD 4.11Å; Y636-K639 WeakPolarHBondContact O-CB 3.42Å; Y636-K639 PolarHBondContact O-N 3.35Å; Q637-K639 VanDerWaalsContact C-N 3.3Å; Q637-K639 PolarHBondContact O-N 2.82Å; K639-I709 HydrophobicContact CB-CD1 4.31Å; K639-I709 WeakPolarHBondContact O-CD1 3.32Å
640	G	86.9	Confident	91.7	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.021	25%	0.245	C	C	.	.	S	Bend	trans	-146.3	-159.2	-175.7	0	0	0	0	0	114.1	Y636 R691	Y636-G640 PolarHBondContact O-N 3.21Å; G640-R691 VanDerWaalsContact O-CZ 3.31Å; G640-R691 PolarHBondContact O-NE 3.1Å; G640-R691 PolarHBondContact O-NH2 2.88Å
641	S	91.5	Very high	91.6	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	153.9	158.3	-60.8	0	0	0	0	110	R691 Q707 I709	S641-R691 CarbonylContact C-O 3.55Å; S641-R691 VanDerWaalsContact CA-O 3.28Å; S641-R691 WeakPolarHBondContact CA-O 3.42Å; S641-Q707 PolarHBondContact N-O 3.49Å; S641-I709 PolarHBondContact O-N 3.42Å
642	V	93.6	Very high	91.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.8	-174.1	-176.4	0	0	0	0	110.1	L633 F685 R691 L692 M693 L710	L633-V642 HydrophobicContact CD2-CG1 3.95Å; V642-F685 WeakPolarHBondContact O-CE2 3.44Å; V642-F685 WeakPolarHBondContact O-CZ 3.49Å; V642-R691 PolarHBondContact N-O 2.81Å; V642-L692 HydrophobicContact CB-CD1 3.65Å; V642-L692 HydrophobicContact CG1-CD1 3.65Å; V642-M693 PolarHBondContact O-N 2.83Å; V642-L710 WeakPolarHBondContact CA-O 3.34Å; V642-L710 HydrophobicContact CB-CB 4.45Å; V642-L710 HydrophobicContact CG1-CB 4.06Å; V642-L710 HydrophobicContact CG1-CD2 3.62Å; V642-L710 HydrophobicContact CG1-CG 3.84Å; V642-L710 HydrophobicContact CG2-CB 4.1Å; V642-L710 HydrophobicContact CG2-CD2 4.15Å
643	I	94.5	Very high	91.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.6	167	-69	169.4	0	0	0	108.9	F645 F685 M693 A695 L703 L708 L710 V711 V712	I643-F645 HydrophobicContact CB-CE2 4.45Å; I643-F645 HydrophobicContact CG2-CD1 4.23Å; I643-F645 HydrophobicContact CG2-CD2 3.96Å; I643-F645 HydrophobicContact CG2-CE1 3.9Å; I643-F645 HydrophobicContact CG2-CE2 3.6Å; I643-F645 HydrophobicContact CG2-CG 4.25Å; I643-F645 HydrophobicContact CG2-CZ 3.56Å; I643-F685 HydrophobicContact CD1-CE1 3.89Å; I643-F685 HydrophobicContact CD1-CZ 4.28Å; I643-F685 HydrophobicContact CG1-CE1 3.73Å; I643-F685 HydrophobicContact CG1-CZ 3.61Å; I643-M693 CarbonylContact C-O 3.53Å; I643-M693 WeakPolarHBondContact CA-O 3.41Å; I643-M693 HydrophobicContact CD1-CE 3.8Å; I643-M693 HydrophobicContact CG1-CE 3.8Å; I643-A695 HydrophobicContact CG2-CB 4.45Å; I643-L703 HydrophobicContact CD1-CD2 3.91Å; I643-L708 HydrophobicContact CB-CD1 4.15Å; I643-L708 HydrophobicContact CD1-CD1 3.84Å; I643-L708 HydrophobicContact CD1-CD2 3.96Å; I643-L708 HydrophobicContact CG1-CD1 3.61Å; I643-L708 HydrophobicContact CG1-CD2 4.42Å; I643-L710 PolarHBondContact N-O 3.49Å; I643-L710 VanDerWaalsContact N-O 3.12Å; I643-V711 CarbonylContact O-C 3.57Å; I643-V711 WeakPolarHBondContact O-CA 3.23Å; I643-V712 PolarHBondContact O-N 3.34Å
644	I	95.6	Very high	91.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.4	168.3	-55	161.2	0	0	0	107.8	L629 L633 L655 L659 L692 M693 V694 A695 V712 Y714	L629-I644 HydrophobicContact CD1-CD1 3.83Å; L629-I644 HydrophobicContact CD1-CG1 4.02Å; L629-I644 HydrophobicContact CD2-CD1 3.93Å; L629-I644 HydrophobicContact CG-CD1 4.4Å; L633-I644 HydrophobicContact CD1-CD1 4.46Å; I644-L655 HydrophobicContact CG2-CD2 3.86Å; I644-L659 HydrophobicContact CD1-CD1 3.68Å; I644-L692 HydrophobicContact CD1-CD1 3.71Å; I644-L692 HydrophobicContact CD1-CG 4.37Å; I644-L692 HydrophobicContact CG1-CD1 4.04Å; I644-M693 PolarHBondContact N-O 2.88Å; I644-V694 HydrophobicContact CB-CG2 4.44Å; I644-V694 HydrophobicContact CD1-CG2 4.09Å; I644-V694 CarbonylContact O-C 3.6Å; I644-V694 WeakPolarHBondContact O-CA 3.34Å; I644-A695 PolarHBondContact O-N 2.8Å; I644-V712 CarbonylContact C-O 3.46Å; I644-V712 VanDerWaalsContact CA-O 3.32Å; I644-V712 WeakPolarHBondContact CA-O 3.48Å; I644-V712 HydrophobicContact CG1-CB 4.35Å; I644-V712 HydrophobicContact CG2-CB 4.43Å; I644-Y714 HydrophobicContact CG2-CG 4.44Å
645	F	96.1	Very high	91.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128	174.9	-74.2	-67.4	0	0	0	112.2	I643 A695 A699 A700 V711 V712 Y714 S715 R726 R729	I643-F645 HydrophobicContact CB-CE2 4.45Å; I643-F645 HydrophobicContact CG2-CD1 4.23Å; I643-F645 HydrophobicContact CG2-CD2 3.96Å; I643-F645 HydrophobicContact CG2-CE1 3.9Å; I643-F645 HydrophobicContact CG2-CE2 3.6Å; I643-F645 HydrophobicContact CG2-CG 4.25Å; I643-F645 HydrophobicContact CG2-CZ 3.56Å; F645-A695 VanDerWaalsContact CA-O 3.3Å; F645-A695 WeakPolarHBondContact CA-O 3.43Å; F645-A695 HydrophobicContact CD1-CB 4.41Å; F645-A695 HydrophobicContact CE1-CB 4.3Å; F645-A699 HydrophobicContact CE1-CB 4.02Å; F645-A700 HydrophobicContact CE1-CB 3.91Å; F645-A700 HydrophobicContact CZ-CB 4.04Å; F645-V711 HydrophobicContact CD2-CG1 3.71Å; F645-V711 HydrophobicContact CE2-CG1 3.83Å; F645-V712 PolarHBondContact N-O 3.43Å; F645-Y714 PolarHBondContact O-N 3.36Å; F645-S715 PolarHBondContact O-N 3.1Å; F645-R726 HydrophobicContact CD1-CG 4.25Å; F645-R726 HydrophobicContact CD2-CB 3.74Å; F645-R726 HydrophobicContact CD2-CG 3.64Å; F645-R726 HydrophobicContact CE1-CG 4.4Å; F645-R726 HydrophobicContact CE2-CB 3.77Å; F645-R726 HydrophobicContact CE2-CG 3.81Å; F645-R726 HydrophobicContact CG-CB 4.47Å; F645-R726 HydrophobicContact CG-CG 3.89Å; F645-R726 HydrophobicContact CZ-CG 4.2Å; F645-R729 HydrophobicContact CE2-CG 4.15Å; F645-R729 HydrophobicContact CZ-CG 4.02Å
646	V	94.7	Very high	92	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	22%	0.217	C	C	.	.			trans	-117	171.7	169.6	-64.3	0	0	0	0	110.4	K648 H651 A652 L655 V694 A695 T696 Y714	V646-K648 WeakPolarHBondContact CG2-O 3.49Å; V646-H651 HydrophobicContact CB-CB 4.23Å; V646-H651 HydrophobicContact CG2-CB 4.47Å; V646-A652 HydrophobicContact CG2-CB 3.7Å; V646-L655 HydrophobicContact CG1-CD2 3.98Å; V646-V694 HydrophobicContact CG1-CG1 4.14Å; V646-V694 HydrophobicContact CG2-CG1 4.14Å; V646-A695 PolarHBondContact N-O 2.84Å; V646-T696 HydrophobicContact CG2-CG2 4.24Å; V646-Y714 HydrophobicContact CG1-CD1 4.37Å
647	D	90.3	Very high	92.3	Very high	68 Å²	68	50 Å²	50	36%	0.364	24%	0.241	S	C	.	.	S	Bend	trans	-88.8	-57.9	-179.8	59	-49.1	0	0	0	112.4	H651 S715	D647-H651 IonicContact OD1-CE1 3.72Å; D647-H651 IonicContact OD1-CG 3.22Å; D647-H651 IonicContact OD1-ND1 3.81Å; D647-H651 PolarHBondContact OD1-ND1 2.83Å; D647-H651 IonicContact OD2-CE1 3.85Å; D647-H651 PolarHBondContact OD2-CE1 3.44Å; D647-H651 IonicContact OD2-ND1 2.78Å; D647-H651 PolarHBondContact OD2-ND1 2.88Å; D647-S715 PolarHBondContact N-OG 3Å; D647-S715 VanDerWaalsContact OD1-CB 3.27Å; D647-S715 WeakPolarHBondContact OD1-CB 3.25Å; D647-S715 PolarHBondContact OD1-OG 2.93Å
648	K	90.8	Very high	92.8	Very high	91 Å²	91	50.5 Å²	50.5	40%	0.396	25%	0.245	S	C	.	.	S	Bend	trans	-94.9	161.8	-179.1	-68.2	-168.5	176.5	-166	0	113.2	V646 E650 H651 A652 T696	V646-K648 WeakPolarHBondContact CG2-O 3.49Å; K648-E650 IonicContact NZ-OE2 2.61Å; K648-H651 HydrophobicContact CB-CB 4.3Å; K648-A652 PolarHBondContact O-N 3.49Å; K648-T696 WeakPolarHBondContact O-CG2 3.31Å
649	Q	92.6	Very high	93.3	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	21%	0.206	S	C	.	.	H	α-helix	trans	-74.4	-39.4	172.3	58.5	-178.7	8.5	0	0	112.9	H651 A652 D653 H670	Q649-H651 PolarHBondContact O-N 2.94Å; Q649-A652 WeakPolarHBondContact O-CA 3.46Å; Q649-A652 WeakPolarHBondContact O-CB 3.41Å; Q649-A652 PolarHBondContact O-N 2.79Å; Q649-D653 PolarHBondContact O-N 3.06Å; Q649-D653 VanDerWaalsContact O-N 3.17Å; Q649-H670 HydrophobicContact CB-CB 3.91Å; Q649-H670 WeakPolarHBondContact CB-ND1 3.39Å; Q649-H670 PolarHBondContact OE1-ND1 2.85Å
650	E	93.6	Very high	93.7	Very high	112 Å²	112	41 Å²	41	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-56.5	-38.3	172.9	-54.2	95.1	-97.4	0	0	111.7	K648 A652 D653 G654	K648-E650 IonicContact NZ-OE2 2.61Å; E650-A652 VanDerWaalsContact C-N 3.3Å; E650-A652 PolarHBondContact O-N 3.14Å; E650-D653 PolarHBondContact O-N 3.35Å; E650-G654 PolarHBondContact O-N 2.77Å
651	H	93.4	Very high	94.1	Very high	84 Å²	84	48.3 Å²	48.3	39%	0.389	24%	0.235	S	C	.	.	H	α-helix	trans	-67.3	-30.2	176.8	-60.1	173.5	0	0	0	112.2	V646 D647 K648 Q649 L655	V646-H651 HydrophobicContact CB-CB 4.23Å; V646-H651 HydrophobicContact CG2-CB 4.47Å; D647-H651 IonicContact OD1-CE1 3.72Å; D647-H651 IonicContact OD1-CG 3.22Å; D647-H651 IonicContact OD1-ND1 3.81Å; D647-H651 PolarHBondContact OD1-ND1 2.83Å; D647-H651 IonicContact OD2-CE1 3.85Å; D647-H651 PolarHBondContact OD2-CE1 3.44Å; D647-H651 IonicContact OD2-ND1 2.78Å; D647-H651 PolarHBondContact OD2-ND1 2.88Å; K648-H651 HydrophobicContact CB-CB 4.3Å; Q649-H651 PolarHBondContact O-N 2.94Å; H651-L655 WeakPolarHBondContact O-CB 3.39Å; H651-L655 PolarHBondContact O-N 2.86Å
652	A	94.3	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-46.1	176.6	0	0	0	0	0	111.4	V646 K648 Q649 E650 L656 V694	V646-A652 HydrophobicContact CG2-CB 3.7Å; K648-A652 PolarHBondContact O-N 3.49Å; Q649-A652 WeakPolarHBondContact O-CA 3.46Å; Q649-A652 WeakPolarHBondContact O-CB 3.41Å; Q649-A652 PolarHBondContact O-N 2.79Å; E650-A652 VanDerWaalsContact C-N 3.3Å; E650-A652 PolarHBondContact O-N 3.14Å; A652-L656 VanDerWaalsContact O-CB 3.27Å; A652-L656 WeakPolarHBondContact O-CB 3.29Å; A652-L656 PolarHBondContact O-N 3.18Å; A652-V694 HydrophobicContact CB-CG1 4.07Å
653	D	94.1	Very high	94.1	Very high	45 Å²	45	54.8 Å²	54.8	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-77.8	-27.8	179.4	-71.2	-27.8	0	0	0	113.1	Q649 E650 K657 S668 H670	Q649-D653 PolarHBondContact O-N 3.06Å; Q649-D653 VanDerWaalsContact O-N 3.17Å; E650-D653 PolarHBondContact O-N 3.35Å; D653-K657 WeakPolarHBondContact O-CD 3.37Å; D653-K657 WeakPolarHBondContact O-CE 3.24Å; D653-K657 WeakPolarHBondContact O-CG 3.33Å; D653-K657 PolarHBondContact O-N 3.15Å; D653-K657 VanDerWaalsContact O-N 3.1Å; D653-S668 VanDerWaalsContact OD1-CB 3.27Å; D653-S668 WeakPolarHBondContact OD1-CB 3.27Å; D653-S668 PolarHBondContact OD1-OG 2.88Å; D653-H670 IonicContact OD1-NE2 2.66Å; D653-H670 PolarHBondContact OD1-NE2 2.9Å; D653-H670 IonicContact OD2-CE1 3.7Å; D653-H670 IonicContact OD2-NE2 2.61Å; D653-H670 PolarHBondContact OD2-NE2 2.87Å
654	G	95.3	Very high	94	Very high	24 Å²	24	56.8 Å²	56.8	25%	0.247	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-55.9	167.7	0	0	0	0	0	111	E650 L656 K657 D658	E650-G654 PolarHBondContact O-N 2.77Å; G654-L656 VanDerWaalsContact C-N 3.31Å; G654-L656 PolarHBondContact O-N 3.13Å; G654-K657 WeakPolarHBondContact O-CB 3.17Å; G654-K657 PolarHBondContact O-N 3.29Å; G654-D658 PolarHBondContact O-N 2.83Å
655	L	95.4	Very high	93.8	Very high	11 Å²	11	60.7 Å²	60.7	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-34.5	179.9	-170.9	58.3	0	0	0	112.6	F626 L629 I644 V646 H651 D658 L659 V694 Y714	F626-L655 HydrophobicContact CD2-CD1 3.82Å; F626-L655 HydrophobicContact CE2-CD1 4.01Å; L629-L655 HydrophobicContact CD2-CD1 3.87Å; L629-L655 HydrophobicContact CD2-CD2 4.16Å; L629-L655 HydrophobicContact CD2-CG 4.4Å; I644-L655 HydrophobicContact CG2-CD2 3.86Å; V646-L655 HydrophobicContact CG1-CD2 3.98Å; H651-L655 WeakPolarHBondContact O-CB 3.39Å; H651-L655 PolarHBondContact O-N 2.86Å; L655-D658 PolarHBondContact O-N 3.14Å; L655-L659 HydrophobicContact CD1-CD1 4.39Å; L655-L659 HydrophobicContact CD1-CG 4.28Å; L655-L659 HydrophobicContact CG-CD1 3.98Å; L655-L659 HydrophobicContact CG-CG 4.35Å; L655-L659 VanDerWaalsContact O-CB 3.29Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 VanDerWaalsContact O-CG 3.25Å; L655-L659 WeakPolarHBondContact O-CG 3.33Å; L655-L659 PolarHBondContact O-N 3.31Å; L655-V694 HydrophobicContact CB-CG1 4.33Å; L655-V694 HydrophobicContact CD2-CG1 4.1Å; L655-V694 HydrophobicContact CD2-CG2 4.36Å; L655-V694 HydrophobicContact CG-CG2 4.3Å; L655-Y714 HydrophobicContact CD1-CE2 4.27Å; L655-Y714 HydrophobicContact CD2-CD1 4.37Å; L655-Y714 HydrophobicContact CD2-CD2 4.07Å; L655-Y714 HydrophobicContact CD2-CE2 4.38Å; L655-Y714 HydrophobicContact CD2-CG 4.06Å
656	L	95.3	Very high	93.7	Very high	36 Å²	36	61.1 Å²	61.1	19%	0.188	32%	0.319	C	S	.	.	H	α-helix	trans	-56.6	-50.2	168.7	170.9	63.7	0	0	0	111.5	A652 G654 D658 M660 C666 S668	A652-L656 VanDerWaalsContact O-CB 3.27Å; A652-L656 WeakPolarHBondContact O-CB 3.29Å; A652-L656 PolarHBondContact O-N 3.18Å; G654-L656 VanDerWaalsContact C-N 3.31Å; G654-L656 PolarHBondContact O-N 3.13Å; L656-D658 VanDerWaalsContact C-N 3.33Å; L656-D658 PolarHBondContact O-N 2.58Å; L656-M660 HydrophobicContact CD1-CG 4.05Å; L656-M660 VanDerWaalsContact O-CB 3.3Å; L656-M660 WeakPolarHBondContact O-CB 3.26Å; L656-M660 WeakPolarHBondContact O-CG 3.4Å; L656-M660 PolarHBondContact O-N 2.95Å; L656-C666 HydrophobicContact CD1-CB 4.36Å; L656-C666 WeakPolarHBondContact CD1-O 3.48Å; L656-C666 VanDerWaalsContact CD1-SG 3.55Å; L656-S668 WeakPolarHBondContact CD2-OG 3.41Å
657	K	95.2	Very high	93.7	Very high	131 Å²	131	63 Å²	63	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-42.5	179	-70.7	157.8	-166.7	165.5	0	111.2	D653 G654 M660 K661	D653-K657 WeakPolarHBondContact O-CD 3.37Å; D653-K657 WeakPolarHBondContact O-CE 3.24Å; D653-K657 WeakPolarHBondContact O-CG 3.33Å; D653-K657 PolarHBondContact O-N 3.15Å; D653-K657 VanDerWaalsContact O-N 3.1Å; G654-K657 WeakPolarHBondContact O-CB 3.17Å; G654-K657 PolarHBondContact O-N 3.29Å; K657-M660 PolarHBondContact O-N 3.48Å; K657-K661 VanDerWaalsContact O-CG 3.31Å; K657-K661 WeakPolarHBondContact O-CG 3.43Å; K657-K661 PolarHBondContact O-N 2.87Å
658	D	95.4	Very high	93.9	Very high	59 Å²	59	60.3 Å²	60.3	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-75.7	-36.7	-176.5	-66.3	-34.7	0	0	0	113.4	F626 G654 L655 L656 M660 K661 A662	F626-D658 HydrophobicContact CE2-CB 3.8Å; F626-D658 HydrophobicContact CZ-CB 3.92Å; G654-D658 PolarHBondContact O-N 2.83Å; L655-D658 PolarHBondContact O-N 3.14Å; L656-D658 VanDerWaalsContact C-N 3.33Å; L656-D658 PolarHBondContact O-N 2.58Å; D658-M660 VanDerWaalsContact C-N 3.35Å; D658-K661 PolarHBondContact O-N 2.96Å; D658-K661 WeakPolarHBondContact OD1-CD 3.46Å; D658-K661 WeakPolarHBondContact OD1-CE 3.26Å; D658-K661 IonicContact OD1-NZ 2.92Å; D658-K661 PolarHBondContact OD1-NZ 3.43Å; D658-A662 WeakPolarHBondContact O-CB 3.14Å; D658-A662 PolarHBondContact O-N 3.39Å
659	L	95.3	Very high	93.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-40.6	168.7	-73.7	170.2	0	0	0	111.7	F626 L629 L630 L633 I644 L655 A662 S663 Y664 C666 L692 V694	F626-L659 HydrophobicContact CE2-CD2 4.29Å; F626-L659 HydrophobicContact CE2-CG 4.44Å; L629-L659 HydrophobicContact CD2-CD1 4.46Å; L629-L659 HydrophobicContact CD2-CD2 4.04Å; L630-L659 HydrophobicContact CD2-CD2 4.07Å; L633-L659 HydrophobicContact CD1-CD2 3.59Å; I644-L659 HydrophobicContact CD1-CD1 3.68Å; L655-L659 HydrophobicContact CD1-CD1 4.39Å; L655-L659 HydrophobicContact CD1-CG 4.28Å; L655-L659 HydrophobicContact CG-CD1 3.98Å; L655-L659 HydrophobicContact CG-CG 4.35Å; L655-L659 VanDerWaalsContact O-CB 3.29Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 VanDerWaalsContact O-CG 3.25Å; L655-L659 WeakPolarHBondContact O-CG 3.33Å; L655-L659 PolarHBondContact O-N 3.31Å; L659-A662 CarbonylContact O-C 3.47Å; L659-A662 WeakPolarHBondContact O-CA 3.44Å; L659-A662 PolarHBondContact O-N 3.18Å; L659-S663 PolarHBondContact O-N 3.26Å; L659-Y664 HydrophobicContact CD2-CG 4.48Å; L659-Y664 WeakPolarHBondContact O-CB 3.41Å; L659-Y664 PolarHBondContact O-N 3.48Å; L659-C666 WeakPolarHBondContact CB-SG 3.41Å; L659-L692 HydrophobicContact CD1-CD2 4.25Å; L659-V694 HydrophobicContact CD1-CG2 3.76Å
660	M	93.8	Very high	93.8	Very high	107 Å²	107	52.6 Å²	52.6	53%	0.527	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-39.2	175.5	-72.8	-72.4	-74.1	0	0	112.3	L656 K657 D658 A662 S663	L656-M660 HydrophobicContact CD1-CG 4.05Å; L656-M660 VanDerWaalsContact O-CB 3.3Å; L656-M660 WeakPolarHBondContact O-CB 3.26Å; L656-M660 WeakPolarHBondContact O-CG 3.4Å; L656-M660 PolarHBondContact O-N 2.95Å; K657-M660 PolarHBondContact O-N 3.48Å; D658-M660 VanDerWaalsContact C-N 3.35Å; M660-A662 VanDerWaalsContact C-N 3.32Å; M660-A662 PolarHBondContact O-N 2.9Å; M660-S663 PolarHBondContact O-N 3.36Å
661	K	95.1	Very high	93.4	Very high	155 Å²	155	49.4 Å²	49.4	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-59	-43.2	169.1	-69.7	168.5	-161.9	167.2	0	111.2	K657 D658 S663	K657-K661 VanDerWaalsContact O-CG 3.31Å; K657-K661 WeakPolarHBondContact O-CG 3.43Å; K657-K661 PolarHBondContact O-N 2.87Å; D658-K661 PolarHBondContact O-N 2.96Å; D658-K661 WeakPolarHBondContact OD1-CD 3.46Å; D658-K661 WeakPolarHBondContact OD1-CE 3.26Å; D658-K661 IonicContact OD1-NZ 2.92Å; D658-K661 PolarHBondContact OD1-NZ 3.43Å; K661-S663 PolarHBondContact O-N 2.85Å; K661-S663 VanDerWaalsContact O-N 3.09Å
662	A	92.9	Very high	93.1	Very high	38 Å²	38	48.2 Å²	48.2	31%	0.314	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	6.8	175	0	0	0	0	0	114.1	F626 L630 D658 L659 M660 Y664	F626-A662 HydrophobicContact CZ-CB 4.29Å; L630-A662 HydrophobicContact CD1-CB 4.47Å; L630-A662 HydrophobicContact CD2-CB 4.01Å; D658-A662 WeakPolarHBondContact O-CB 3.14Å; D658-A662 PolarHBondContact O-N 3.39Å; L659-A662 CarbonylContact O-C 3.47Å; L659-A662 WeakPolarHBondContact O-CA 3.44Å; L659-A662 PolarHBondContact O-N 3.18Å; M660-A662 VanDerWaalsContact C-N 3.32Å; M660-A662 PolarHBondContact O-N 2.9Å; A662-Y664 VanDerWaalsContact C-N 3.32Å; A662-Y664 HydrophobicContact CB-CD2 3.92Å; A662-Y664 HydrophobicContact CB-CE2 4.38Å; A662-Y664 VanDerWaalsContact O-CD2 3.26Å; A662-Y664 WeakPolarHBondContact O-CD2 3.27Å; A662-Y664 PolarHBondContact O-N 3.29Å
663	S	92.7	Very high	92.8	Very high	103 Å²	103	49.6 Å²	49.6	72%	0.72	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	26.9	-179.4	-56.4	0	0	0	0	115.3	L659 M660 K661 P665	L659-S663 PolarHBondContact O-N 3.26Å; M660-S663 PolarHBondContact O-N 3.36Å; K661-S663 PolarHBondContact O-N 2.85Å; K661-S663 VanDerWaalsContact O-N 3.09Å; S663-P665 WeakPolarHBondContact O-CD 3.34Å
664	Y	92.6	Very high	92.5	Very high	43 Å²	43	52 Å²	52	17%	0.169	31%	0.308	C	S	.	.			trans	-96.2	106.9	170	-74.2	-100.1	0	0	0	110.3	L630 L633 Q637 L659 A662 C666 L692	L630-Y664 HydrophobicContact CD2-CD2 3.84Å; L630-Y664 HydrophobicContact CD2-CE2 3.57Å; L633-Y664 HydrophobicContact CB-CD1 4.12Å; L633-Y664 HydrophobicContact CB-CE1 3.62Å; L633-Y664 HydrophobicContact CD1-CD1 4.01Å; L633-Y664 HydrophobicContact CD1-CE1 4.27Å; Q637-Y664 VanDerWaalsContact OE1-CE1 3.26Å; L659-Y664 HydrophobicContact CD2-CG 4.48Å; L659-Y664 WeakPolarHBondContact O-CB 3.41Å; L659-Y664 PolarHBondContact O-N 3.48Å; A662-Y664 VanDerWaalsContact C-N 3.32Å; A662-Y664 HydrophobicContact CB-CD2 3.92Å; A662-Y664 HydrophobicContact CB-CE2 4.38Å; A662-Y664 VanDerWaalsContact O-CD2 3.26Å; A662-Y664 WeakPolarHBondContact O-CD2 3.27Å; A662-Y664 PolarHBondContact O-N 3.29Å; Y664-C666 PolarHBondContact O-N 2.97Å; Y664-C666 PolarHBondContact O-SG 3.13Å; Y664-L692 HydrophobicContact CD1-CD2 4.38Å
665	P	91.6	Very high	92	Very high	81 Å²	81	51 Å²	51	53%	0.526	30%	0.297	S	S	.	.			trans	-64.5	122.4	175.7	-19	32.8	0	0	0	110.1	S663 C690	S663-P665 WeakPolarHBondContact O-CD 3.34Å; P665-C690 PolarHBondContact O-SG 3.31Å; P665-C690 VanDerWaalsContact O-SG 3.37Å
666	C	93.4	Very high	91.6	Very high	10 Å²	10	59.2 Å²	59.2	7%	0.068	33%	0.328	C	S	.	.			trans	-146.6	168.2	-179.1	48.5	0	0	0	0	112.4	L656 L659 Y664 C690 L692	L656-C666 HydrophobicContact CD1-CB 4.36Å; L656-C666 WeakPolarHBondContact CD1-O 3.48Å; L656-C666 VanDerWaalsContact CD1-SG 3.55Å; L659-C666 WeakPolarHBondContact CB-SG 3.41Å; Y664-C666 PolarHBondContact O-N 2.97Å; Y664-C666 PolarHBondContact O-SG 3.13Å; C666-C690 VanDerWaalsContact CA-SG 3.58Å; C666-L692 VanDerWaalsContact CA-O 3.22Å; C666-L692 WeakPolarHBondContact CA-O 3.29Å; C666-L692 HydrophobicContact CB-CB 3.94Å; C666-L692 HydrophobicContact CB-CD2 3.91Å; C666-L692 HydrophobicContact CB-CG 3.73Å; C666-L692 WeakPolarHBondContact CB-O 3.5Å
667	L	93.8	Very high	91.3	Very high	40 Å²	40	61.4 Å²	61.4	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.6	175.7	-54.5	173.8	0	0	0	109.2	I681 D684 C690 L692 M693 V694	L667-I681 HydrophobicContact CB-CG2 3.97Å; L667-I681 HydrophobicContact CD1-CB 4.38Å; L667-I681 HydrophobicContact CD1-CG1 4.5Å; L667-I681 HydrophobicContact CD1-CG2 3.96Å; L667-D684 HydrophobicContact CD1-CB 4.32Å; L667-C690 HydrophobicContact CD1-CB 3.74Å; L667-C690 HydrophobicContact CD2-CB 4.38Å; L667-C690 HydrophobicContact CG-CB 3.83Å; L667-L692 PolarHBondContact N-O 3.31Å; L667-L692 VanDerWaalsContact N-O 3.15Å; L667-M693 HydrophobicContact CB-CG 4.45Å; L667-M693 CarbonylContact O-C 3.58Å; L667-M693 WeakPolarHBondContact O-CA 3.22Å; L667-V694 PolarHBondContact O-N 2.85Å
668	S	94.4	Very high	90.9	Very high	12 Å²	12	56 Å²	56	8%	0.084	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	153.2	166.1	60	0	0	0	0	111.5	D653 L656 I673 V694	D653-S668 VanDerWaalsContact OD1-CB 3.27Å; D653-S668 WeakPolarHBondContact OD1-CB 3.27Å; D653-S668 PolarHBondContact OD1-OG 2.88Å; L656-S668 WeakPolarHBondContact CD2-OG 3.41Å; S668-I673 VanDerWaalsContact O-CD1 3.29Å; S668-I673 WeakPolarHBondContact O-CD1 3.33Å; S668-V694 CarbonylContact C-O 3.51Å; S668-V694 VanDerWaalsContact CA-O 3.26Å; S668-V694 WeakPolarHBondContact CA-O 3.38Å
669	L	91.7	Very high	90.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	104	176.8	-177	59.3	0	0	0	111.9	R678 I681 I682 M693 V694 A695 T696 A699	L669-R678 HydrophobicContact CD1-CB 4.17Å; L669-R678 HydrophobicContact CD1-CG 3.82Å; L669-I681 HydrophobicContact CB-CG2 4.44Å; L669-I681 HydrophobicContact CD1-CG2 4.41Å; L669-I682 HydrophobicContact CD1-CD1 4.25Å; L669-I682 HydrophobicContact CD1-CG1 4.31Å; L669-I682 HydrophobicContact CD2-CD1 4.02Å; L669-I682 HydrophobicContact CD2-CG1 3.74Å; L669-M693 HydrophobicContact CB-CG 4.19Å; L669-M693 HydrophobicContact CB-SD 3.85Å; L669-M693 HydrophobicContact CD2-CE 3.82Å; L669-M693 HydrophobicContact CD2-SD 3.56Å; L669-M693 VanDerWaalsContact CD2-SD 3.56Å; L669-M693 HydrophobicContact CG-SD 4.34Å; L669-V694 PolarHBondContact N-O 2.97Å; L669-A695 HydrophobicContact CB-CB 4.05Å; L669-A695 VanDerWaalsContact O-CA 3.23Å; L669-A695 WeakPolarHBondContact O-CA 3.28Å; L669-A695 WeakPolarHBondContact O-CB 3.43Å; L669-T696 PolarHBondContact O-N 2.86Å; L669-T696 VanDerWaalsContact O-N 3.13Å; L669-A699 HydrophobicContact CD2-CB 3.94Å
670	H	90.9	Very high	90.2	Very high	11 Å²	11	57.9 Å²	57.9	5%	0.051	33%	0.33	C	S	.	.			trans	-145.6	-176.5	-177.8	56.9	98.9	0	0	0	112.4	Q649 D653 G672 I673 R678 T696	Q649-H670 HydrophobicContact CB-CB 3.91Å; Q649-H670 WeakPolarHBondContact CB-ND1 3.39Å; Q649-H670 PolarHBondContact OE1-ND1 2.85Å; D653-H670 IonicContact OD1-NE2 2.66Å; D653-H670 PolarHBondContact OD1-NE2 2.9Å; D653-H670 IonicContact OD2-CE1 3.7Å; D653-H670 IonicContact OD2-NE2 2.61Å; D653-H670 PolarHBondContact OD2-NE2 2.87Å; H670-G672 PolarHBondContact ND1-N 3.27Å; H670-I673 VanDerWaalsContact NE2-CG1 3.26Å; H670-I673 WeakPolarHBondContact NE2-CG1 3.34Å; H670-R678 PolarHBondContact O-NH1 3Å; H670-T696 HydrophobicContact CB-CG2 3.88Å
671	G	85.6	Confident	90.1	Very high	45 Å²	45	54.1 Å²	54.1	46%	0.464	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-42.6	-174.6	0	0	0	0	0	114.1	I673 R678	G671-I673 VanDerWaalsContact C-N 3.34Å; G671-I673 PolarHBondContact O-N 3.34Å; G671-R678 PolarHBondContact O-NH1 3.38Å
672	G	86.1	Confident	89.7	Confident	59 Å²	59	47.1 Å²	47.1	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	1.8	-177.1	0	0	0	0	0	117.2	H670	H670-G672 PolarHBondContact ND1-N 3.27Å
673	I	88.4	Confident	89.5	Confident	28 Å²	28	49.4 Å²	49.4	14%	0.144	29%	0.289	C	S	.	.	S	Bend	trans	-80.5	141	167.7	-50.6	-175.6	0	0	0	108.5	S668 H670 G671 D677 R678 I681	S668-I673 VanDerWaalsContact O-CD1 3.29Å; S668-I673 WeakPolarHBondContact O-CD1 3.33Å; H670-I673 VanDerWaalsContact NE2-CG1 3.26Å; H670-I673 WeakPolarHBondContact NE2-CG1 3.34Å; G671-I673 VanDerWaalsContact C-N 3.34Å; G671-I673 PolarHBondContact O-N 3.34Å; I673-D677 HydrophobicContact CG2-CB 3.73Å; I673-R678 HydrophobicContact CB-CG 3.74Å; I673-R678 HydrophobicContact CG2-CG 3.85Å; I673-R678 WeakPolarHBondContact O-CD 2.98Å; I673-I681 HydrophobicContact CD1-CD1 4.09Å; I673-I681 HydrophobicContact CG2-CD1 4.28Å
674	D	87.9	Confident	89.5	Confident	96 Å²	96	47 Å²	47	51%	0.513	27%	0.268	S	S	.	.			trans	-58.8	153.4	173.8	178.6	55.3	0	0	0	112.6	Y676 D677 R678	D674-Y676 PolarHBondContact O-N 3.1Å; D674-Y676 VanDerWaalsContact OD2-CB 3.24Å; D674-Y676 WeakPolarHBondContact OD2-CB 3.16Å; D674-Y676 PolarHBondContact OD2-N 3.16Å; D674-D677 PolarHBondContact O-N 3.33Å; D674-R678 WeakPolarHBondContact O-CB 3.32Å; D674-R678 WeakPolarHBondContact O-CD 3.43Å; D674-R678 WeakPolarHBondContact O-CG 3.32Å; D674-R678 PolarHBondContact O-N 2.78Å
675	Q	84.4	Confident	89.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.019	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-37.5	-179	-172.7	56.4	44.7	0	0	113.4	G502 T503 R678 D679	G502-Q675 VanDerWaalsContact O-CB 3.25Å; G502-Q675 WeakPolarHBondContact O-CB 3.3Å; T503-Q675 HydrophobicContact CG2-CG 4.09Å; Q675-R678 PolarHBondContact O-N 3.27Å; Q675-D679 VanDerWaalsContact NE2-CG 3.3Å; Q675-D679 PolarHBondContact NE2-OD1 3.05Å; Q675-D679 PolarHBondContact NE2-OD2 3.46Å; Q675-D679 PolarHBondContact O-N 2.83Å
676	Y	86.9	Confident	89.1	Confident	182 Å²	182	45.2 Å²	45.2	71%	0.714	25%	0.253	S	S	*	.	H	α-helix	trans	-64.7	-47.8	178.6	-178.3	-93.4	0	0	0	111	D674 D679 S680	D674-Y676 PolarHBondContact O-N 3.1Å; D674-Y676 VanDerWaalsContact OD2-CB 3.24Å; D674-Y676 WeakPolarHBondContact OD2-CB 3.16Å; D674-Y676 PolarHBondContact OD2-N 3.16Å; Y676-D679 PolarHBondContact O-N 3.27Å; Y676-S680 WeakPolarHBondContact O-CB 3.47Å; Y676-S680 PolarHBondContact O-N 3.2Å
677	D	89.3	Confident	88.9	Confident	83 Å²	83	49 Å²	49	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-37.5	177.7	-75.1	-22	0	0	0	111.7	I673 D674 S680 I681	I673-D677 HydrophobicContact CG2-CB 3.73Å; D674-D677 PolarHBondContact O-N 3.33Å; D677-S680 WeakPolarHBondContact O-CB 3.23Å; D677-S680 PolarHBondContact O-N 2.61Å; D677-I681 VanDerWaalsContact O-CB 3.31Å; D677-I681 WeakPolarHBondContact O-CB 3.25Å; D677-I681 WeakPolarHBondContact O-CD1 3.11Å; D677-I681 VanDerWaalsContact O-CG1 3.24Å; D677-I681 WeakPolarHBondContact O-CG1 3.27Å; D677-I681 PolarHBondContact O-N 3.46Å
678	R	87.3	Confident	88.5	Confident	18 Å²	18	48.5 Å²	48.5	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-48.9	171.8	-75.6	165.5	59.4	151.9	-0.3	112.3	E476 L669 H670 G671 I673 D674 Q675 S680 I681 I682	E476-R678 IonicContact OE1-CZ 3.49Å; E476-R678 IonicContact OE1-NE 3.83Å; E476-R678 PolarHBondContact OE1-NE 2.83Å; E476-R678 IonicContact OE1-NH2 3.51Å; E476-R678 PolarHBondContact OE1-NH2 3.42Å; E476-R678 IonicContact OE2-NH2 3.15Å; L669-R678 HydrophobicContact CD1-CB 4.17Å; L669-R678 HydrophobicContact CD1-CG 3.82Å; H670-R678 PolarHBondContact O-NH1 3Å; G671-R678 PolarHBondContact O-NH1 3.38Å; I673-R678 HydrophobicContact CB-CG 3.74Å; I673-R678 HydrophobicContact CG2-CG 3.85Å; I673-R678 WeakPolarHBondContact O-CD 2.98Å; D674-R678 WeakPolarHBondContact O-CB 3.32Å; D674-R678 WeakPolarHBondContact O-CD 3.43Å; D674-R678 WeakPolarHBondContact O-CG 3.32Å; D674-R678 PolarHBondContact O-N 2.78Å; Q675-R678 PolarHBondContact O-N 3.27Å; R678-S680 VanDerWaalsContact C-N 3.29Å; R678-S680 PolarHBondContact O-N 2.84Å; R678-I681 PolarHBondContact O-N 2.75Å; R678-I682 WeakPolarHBondContact O-CB 3.42Å; R678-I682 WeakPolarHBondContact O-CD1 3.47Å; R678-I682 WeakPolarHBondContact O-CG1 3.03Å; R678-I682 PolarHBondContact O-N 2.88Å
679	D	85.3	Confident	88.3	Confident	47 Å²	47	53.1 Å²	53.1	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-32.6	179.1	-79.8	-41.2	0	0	0	111.9	Q675 Y676 N683	Q675-D679 VanDerWaalsContact NE2-CG 3.3Å; Q675-D679 PolarHBondContact NE2-OD1 3.05Å; Q675-D679 PolarHBondContact NE2-OD2 3.46Å; Q675-D679 PolarHBondContact O-N 2.83Å; Y676-D679 PolarHBondContact O-N 3.27Å; D679-N683 VanDerWaalsContact O-CB 3.28Å; D679-N683 WeakPolarHBondContact O-CB 3.21Å; D679-N683 PolarHBondContact O-N 2.94Å
680	S	89.9	Confident	88.2	Confident	51 Å²	51	53.6 Å²	53.6	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-54.5	171.2	-167.9	0	0	0	0	112.1	Y676 D677 R678 I682 N683 D684	Y676-S680 WeakPolarHBondContact O-CB 3.47Å; Y676-S680 PolarHBondContact O-N 3.2Å; D677-S680 WeakPolarHBondContact O-CB 3.23Å; D677-S680 PolarHBondContact O-N 2.61Å; R678-S680 VanDerWaalsContact C-N 3.29Å; R678-S680 PolarHBondContact O-N 2.84Å; S680-I682 VanDerWaalsContact C-N 3.3Å; S680-I682 PolarHBondContact O-N 3.49Å; S680-N683 WeakPolarHBondContact O-CA 3.4Å; S680-N683 WeakPolarHBondContact O-CB 3.42Å; S680-N683 PolarHBondContact O-N 2.91Å; S680-D684 PolarHBondContact O-N 3.15Å
681	I	91.1	Very high	88.2	Confident	28 Å²	28	57.6 Å²	57.6	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-54.8	-45.4	176.2	-76.2	161.5	0	0	0	111.3	L667 L669 I673 D677 R678 N683 D684 F685 M693	L667-I681 HydrophobicContact CB-CG2 3.97Å; L667-I681 HydrophobicContact CD1-CB 4.38Å; L667-I681 HydrophobicContact CD1-CG1 4.5Å; L667-I681 HydrophobicContact CD1-CG2 3.96Å; L669-I681 HydrophobicContact CB-CG2 4.44Å; L669-I681 HydrophobicContact CD1-CG2 4.41Å; I673-I681 HydrophobicContact CD1-CD1 4.09Å; I673-I681 HydrophobicContact CG2-CD1 4.28Å; D677-I681 VanDerWaalsContact O-CB 3.31Å; D677-I681 WeakPolarHBondContact O-CB 3.25Å; D677-I681 WeakPolarHBondContact O-CD1 3.11Å; D677-I681 VanDerWaalsContact O-CG1 3.24Å; D677-I681 WeakPolarHBondContact O-CG1 3.27Å; D677-I681 PolarHBondContact O-N 3.46Å; R678-I681 PolarHBondContact O-N 2.75Å; I681-N683 VanDerWaalsContact C-N 3.33Å; I681-N683 PolarHBondContact O-N 2.89Å; I681-D684 PolarHBondContact O-N 3.2Å; I681-F685 WeakPolarHBondContact O-CB 3.49Å; I681-F685 PolarHBondContact O-N 3.01Å; I681-M693 HydrophobicContact CG2-SD 4.18Å
682	I	88.4	Confident	88.6	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-37	177.2	-76	169.4	0	0	0	111.5	E476 L669 R678 S680 K686 L703	E476-I682 HydrophobicContact CG-CD1 3.47Å; E476-I682 VanDerWaalsContact CG-CD1 3.47Å; L669-I682 HydrophobicContact CD1-CD1 4.25Å; L669-I682 HydrophobicContact CD1-CG1 4.31Å; L669-I682 HydrophobicContact CD2-CD1 4.02Å; L669-I682 HydrophobicContact CD2-CG1 3.74Å; R678-I682 WeakPolarHBondContact O-CB 3.42Å; R678-I682 WeakPolarHBondContact O-CD1 3.47Å; R678-I682 WeakPolarHBondContact O-CG1 3.03Å; R678-I682 PolarHBondContact O-N 2.88Å; S680-I682 VanDerWaalsContact C-N 3.3Å; S680-I682 PolarHBondContact O-N 3.49Å; I682-K686 HydrophobicContact CG2-CD 3.77Å; I682-K686 WeakPolarHBondContact O-CB 3.43Å; I682-K686 WeakPolarHBondContact O-CD 3.42Å; I682-K686 WeakPolarHBondContact O-CG 3.3Å; I682-K686 PolarHBondContact O-N 3.47Å; I682-L703 HydrophobicContact CD1-CD1 4.36Å; I682-L703 HydrophobicContact CG1-CD1 4.15Å; I682-L703 HydrophobicContact CG2-CD1 3.86Å
683	N	88.7	Confident	88.9	Confident	87 Å²	87	52.7 Å²	52.7	47%	0.465	28%	0.275	S	S	.	.	H	α-helix	trans	-69.5	-43.6	175.6	176.7	79.3	0	0	0	111.9	D679 S680 I681 F685 K686 T687	D679-N683 VanDerWaalsContact O-CB 3.28Å; D679-N683 WeakPolarHBondContact O-CB 3.21Å; D679-N683 PolarHBondContact O-N 2.94Å; S680-N683 WeakPolarHBondContact O-CA 3.4Å; S680-N683 WeakPolarHBondContact O-CB 3.42Å; S680-N683 PolarHBondContact O-N 2.91Å; I681-N683 VanDerWaalsContact C-N 3.33Å; I681-N683 PolarHBondContact O-N 2.89Å; N683-F685 PolarHBondContact O-N 2.76Å; N683-K686 PolarHBondContact O-N 2.87Å; N683-T687 WeakPolarHBondContact O-CB 3.4Å; N683-T687 WeakPolarHBondContact O-CG2 3.24Å; N683-T687 PolarHBondContact O-N 2.93Å; N683-T687 PolarHBondContact O-OG1 3.29Å
684	D	91.1	Very high	89.3	Confident	53 Å²	53	51.3 Å²	51.3	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-36.9	179.6	-81.6	12.6	0	0	0	111.9	L667 S680 I681 T687 G688 V689 C690	L667-D684 HydrophobicContact CD1-CB 4.32Å; S680-D684 PolarHBondContact O-N 3.15Å; I681-D684 PolarHBondContact O-N 3.2Å; D684-T687 WeakPolarHBondContact CA-OG1 3.31Å; D684-T687 PolarHBondContact O-OG1 3.36Å; D684-G688 PolarHBondContact O-N 3.17Å; D684-V689 HydrophobicContact CB-CB 4.07Å; D684-V689 HydrophobicContact CB-CG1 4.44Å; D684-V689 PolarHBondContact O-N 3.3Å; D684-C690 PolarHBondContact O-N 3.09Å
685	F	90.4	Very high	89.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-39.4	170.8	-169.2	-107.6	0	0	0	112.8	V642 I643 I681 N683 G688 M693 V705 L708	V642-F685 WeakPolarHBondContact O-CE2 3.44Å; V642-F685 WeakPolarHBondContact O-CZ 3.49Å; I643-F685 HydrophobicContact CD1-CE1 3.89Å; I643-F685 HydrophobicContact CD1-CZ 4.28Å; I643-F685 HydrophobicContact CG1-CE1 3.73Å; I643-F685 HydrophobicContact CG1-CZ 3.61Å; I681-F685 WeakPolarHBondContact O-CB 3.49Å; I681-F685 PolarHBondContact O-N 3.01Å; N683-F685 PolarHBondContact O-N 2.76Å; F685-G688 PolarHBondContact O-N 2.99Å; F685-M693 HydrophobicContact CB-SD 4.33Å; F685-M693 HydrophobicContact CD1-CE 3.95Å; F685-M693 HydrophobicContact CD1-SD 4.31Å; F685-M693 HydrophobicContact CD2-CB 3.67Å; F685-M693 HydrophobicContact CE1-CE 4.07Å; F685-M693 HydrophobicContact CE2-CB 3.64Å; F685-M693 HydrophobicContact CG-CB 4.18Å; F685-M693 HydrophobicContact CG-CE 4.37Å; F685-M693 HydrophobicContact CG-SD 4.16Å; F685-M693 HydrophobicContact CZ-CB 4.15Å; F685-V705 HydrophobicContact CD1-CG1 4.17Å; F685-V705 HydrophobicContact CD1-CG2 3.83Å; F685-V705 HydrophobicContact CE1-CB 4.33Å; F685-V705 HydrophobicContact CE1-CG1 3.88Å; F685-V705 HydrophobicContact CE1-CG2 3.86Å; F685-L708 HydrophobicContact CE1-CD1 4.11Å; F685-L708 HydrophobicContact CZ-CD1 3.83Å
686	K	86.8	Confident	89.9	Confident	84 Å²	84	47.2 Å²	47.2	37%	0.365	25%	0.247	S	C	.	.	H	α-helix	trans	-71.5	-25.9	177	-79.4	169.3	179.2	163.1	0	113.9	I682 N683 D704 V705	I682-K686 HydrophobicContact CG2-CD 3.77Å; I682-K686 WeakPolarHBondContact O-CB 3.43Å; I682-K686 WeakPolarHBondContact O-CD 3.42Å; I682-K686 WeakPolarHBondContact O-CG 3.3Å; I682-K686 PolarHBondContact O-N 3.47Å; N683-K686 PolarHBondContact O-N 2.87Å; K686-D704 VanDerWaalsContact CE-O 3.25Å; K686-D704 WeakPolarHBondContact CE-O 3.32Å; K686-V705 HydrophobicContact CG-CG2 3.95Å
687	T	87.8	Confident	89.6	Confident	88 Å²	88	39.6 Å²	39.6	54%	0.54	22%	0.221	S	C	.	.	H	α-helix	trans	-90.3	-14.3	175.4	52.8	0	0	0	0	112.8	N683 D684	N683-T687 WeakPolarHBondContact O-CB 3.4Å; N683-T687 WeakPolarHBondContact O-CG2 3.24Å; N683-T687 PolarHBondContact O-N 2.93Å; N683-T687 PolarHBondContact O-OG1 3.29Å; D684-T687 WeakPolarHBondContact CA-OG1 3.31Å; D684-T687 PolarHBondContact O-OG1 3.36Å
688	G	86.8	Confident	89.1	Confident	31 Å²	31	37.6 Å²	37.6	32%	0.32	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	17.7	179.4	0	0	0	0	0	114.1	D684 F685 C690	D684-G688 PolarHBondContact O-N 3.17Å; F685-G688 PolarHBondContact O-N 2.99Å; G688-C690 VanDerWaalsContact C-N 3.34Å
689	V	89.3	Confident	88.7	Confident	108 Å²	108	36.9 Å²	36.9	66%	0.655	21%	0.209	S	C	*	.	S	Bend	trans	-62.1	-45.8	171.3	171.7	0	0	0	0	109.6	D684	D684-V689 HydrophobicContact CB-CB 4.07Å; D684-V689 HydrophobicContact CB-CG1 4.44Å; D684-V689 PolarHBondContact O-N 3.3Å
690	C	89.6	Confident	88	Confident	14 Å²	14	34.6 Å²	34.6	10%	0.095	20%	0.197	C	C	.	.	S	Bend	trans	-113.7	142.6	161.7	-164.5	0	0	0	0	109.6	P665 C666 L667 D684 G688 L692	P665-C690 PolarHBondContact O-SG 3.31Å; P665-C690 VanDerWaalsContact O-SG 3.37Å; C666-C690 VanDerWaalsContact CA-SG 3.58Å; L667-C690 HydrophobicContact CD1-CB 3.74Å; L667-C690 HydrophobicContact CD2-CB 4.38Å; L667-C690 HydrophobicContact CG-CB 3.83Å; D684-C690 PolarHBondContact O-N 3.09Å; G688-C690 VanDerWaalsContact C-N 3.34Å; C690-L692 PolarHBondContact SG-O 3.03Å
691	R	91.3	Very high	87.2	Confident	94 Å²	94	32.4 Å²	32.4	36%	0.355	18%	0.181	S	C	.	.			trans	-111.4	-2.9	-174.2	-64.8	176.9	63.1	174.3	1.8	113.5	Q637 E638 G640 S641 V642	Q637-R691 PolarHBondContact O-NH2 2.97Å; E638-R691 PolarHBondContact O-NH1 2.86Å; E638-R691 PolarHBondContact O-NH2 2.88Å; G640-R691 VanDerWaalsContact O-CZ 3.31Å; G640-R691 PolarHBondContact O-NE 3.1Å; G640-R691 PolarHBondContact O-NH2 2.88Å; S641-R691 CarbonylContact C-O 3.55Å; S641-R691 VanDerWaalsContact CA-O 3.28Å; S641-R691 WeakPolarHBondContact CA-O 3.42Å; V642-R691 PolarHBondContact N-O 2.81Å
692	L	93.3	Very high	85.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.5	-179.8	-177.8	58.9	0	0	0	109	L633 V642 I644 L659 Y664 C666 L667 C690	L633-L692 HydrophobicContact CD1-CD2 3.86Å; L633-L692 HydrophobicContact CD2-CD1 3.6Å; L633-L692 HydrophobicContact CD2-CD2 4.1Å; V642-L692 HydrophobicContact CB-CD1 3.65Å; V642-L692 HydrophobicContact CG1-CD1 3.65Å; I644-L692 HydrophobicContact CD1-CD1 3.71Å; I644-L692 HydrophobicContact CD1-CG 4.37Å; I644-L692 HydrophobicContact CG1-CD1 4.04Å; L659-L692 HydrophobicContact CD1-CD2 4.25Å; Y664-L692 HydrophobicContact CD1-CD2 4.38Å; C666-L692 VanDerWaalsContact CA-O 3.22Å; C666-L692 WeakPolarHBondContact CA-O 3.29Å; C666-L692 HydrophobicContact CB-CB 3.94Å; C666-L692 HydrophobicContact CB-CD2 3.91Å; C666-L692 HydrophobicContact CB-CG 3.73Å; C666-L692 WeakPolarHBondContact CB-O 3.5Å; L667-L692 PolarHBondContact N-O 3.31Å; L667-L692 VanDerWaalsContact N-O 3.15Å; C690-L692 PolarHBondContact SG-O 3.03Å
693	M	93.5	Very high	85.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125	178.2	-175.5	175.8	67.9	0	0	110.1	V642 I643 I644 L667 L669 I681 F685 A699 L703	V642-M693 PolarHBondContact O-N 2.83Å; I643-M693 CarbonylContact C-O 3.53Å; I643-M693 WeakPolarHBondContact CA-O 3.41Å; I643-M693 HydrophobicContact CD1-CE 3.8Å; I643-M693 HydrophobicContact CG1-CE 3.8Å; I644-M693 PolarHBondContact N-O 2.88Å; L667-M693 HydrophobicContact CB-CG 4.45Å; L667-M693 CarbonylContact O-C 3.58Å; L667-M693 WeakPolarHBondContact O-CA 3.22Å; L669-M693 HydrophobicContact CB-CG 4.19Å; L669-M693 HydrophobicContact CB-SD 3.85Å; L669-M693 HydrophobicContact CD2-CE 3.82Å; L669-M693 HydrophobicContact CD2-SD 3.56Å; L669-M693 VanDerWaalsContact CD2-SD 3.56Å; L669-M693 HydrophobicContact CG-SD 4.34Å; I681-M693 HydrophobicContact CG2-SD 4.18Å; F685-M693 HydrophobicContact CB-SD 4.33Å; F685-M693 HydrophobicContact CD1-CE 3.95Å; F685-M693 HydrophobicContact CD1-SD 4.31Å; F685-M693 HydrophobicContact CD2-CB 3.67Å; F685-M693 HydrophobicContact CE1-CE 4.07Å; F685-M693 HydrophobicContact CE2-CB 3.64Å; F685-M693 HydrophobicContact CG-CB 4.18Å; F685-M693 HydrophobicContact CG-CE 4.37Å; F685-M693 HydrophobicContact CG-SD 4.16Å; F685-M693 HydrophobicContact CZ-CB 4.15Å; M693-A699 HydrophobicContact CE-CB 4.36Å; M693-L703 HydrophobicContact CE-CD2 3.79Å
694	V	95.5	Very high	84.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.6	167.8	-173.5	0	0	0	0	107.6	I644 V646 A652 L655 L659 L667 S668 L669	I644-V694 HydrophobicContact CB-CG2 4.44Å; I644-V694 HydrophobicContact CD1-CG2 4.09Å; I644-V694 CarbonylContact O-C 3.6Å; I644-V694 WeakPolarHBondContact O-CA 3.34Å; V646-V694 HydrophobicContact CG1-CG1 4.14Å; V646-V694 HydrophobicContact CG2-CG1 4.14Å; A652-V694 HydrophobicContact CB-CG1 4.07Å; L655-V694 HydrophobicContact CB-CG1 4.33Å; L655-V694 HydrophobicContact CD2-CG1 4.1Å; L655-V694 HydrophobicContact CD2-CG2 4.36Å; L655-V694 HydrophobicContact CG-CG2 4.3Å; L659-V694 HydrophobicContact CD1-CG2 3.76Å; L667-V694 PolarHBondContact O-N 2.85Å; S668-V694 CarbonylContact C-O 3.51Å; S668-V694 VanDerWaalsContact CA-O 3.26Å; S668-V694 WeakPolarHBondContact CA-O 3.38Å; L669-V694 PolarHBondContact N-O 2.97Å
695	A	93.6	Very high	83.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.9	-177.3	0	0	0	0	0	112.8	I643 I644 F645 V646 L669 A699	I643-A695 HydrophobicContact CG2-CB 4.45Å; I644-A695 PolarHBondContact O-N 2.8Å; F645-A695 VanDerWaalsContact CA-O 3.3Å; F645-A695 WeakPolarHBondContact CA-O 3.43Å; F645-A695 HydrophobicContact CD1-CB 4.41Å; F645-A695 HydrophobicContact CE1-CB 4.3Å; V646-A695 PolarHBondContact N-O 2.84Å; L669-A695 HydrophobicContact CB-CB 4.05Å; L669-A695 VanDerWaalsContact O-CA 3.23Å; L669-A695 WeakPolarHBondContact O-CA 3.28Å; L669-A695 WeakPolarHBondContact O-CB 3.43Å; A695-A699 HydrophobicContact CB-CB 3.59Å
696	T	91.2	Very high	82.5	Confident	13 Å²	13	36.4 Å²	36.4	8%	0.08	20%	0.195	C	C	.	.			trans	-83.6	178.1	163.4	59	0	0	0	0	110.5	V646 K648 L669 H670 V698 A699	V646-T696 HydrophobicContact CG2-CG2 4.24Å; K648-T696 WeakPolarHBondContact O-CG2 3.31Å; L669-T696 PolarHBondContact O-N 2.86Å; L669-T696 VanDerWaalsContact O-N 3.13Å; H670-T696 HydrophobicContact CB-CG2 3.88Å; T696-V698 PolarHBondContact O-N 3.42Å; T696-V698 WeakPolarHBondContact OG1-CG2 3.36Å; T696-A699 PolarHBondContact O-N 3.34Å
697	S	81.8	Confident	81.9	Confident	23 Å²	23	39 Å²	39	16%	0.161	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.3	-7	176.4	-58.6	0	0	0	0	115	A699 A700 D722 R726	S697-A699 PolarHBondContact O-N 3.01Å; S697-A700 VanDerWaalsContact O-CB 3.31Å; S697-A700 WeakPolarHBondContact O-CB 3.33Å; S697-A700 PolarHBondContact O-N 3.29Å; S697-A700 VanDerWaalsContact O-N 3.09Å; S697-D722 WeakPolarHBondContact CB-OD2 3.35Å; S697-D722 PolarHBondContact OG-OD2 2.85Å; S697-R726 PolarHBondContact OG-NH2 2.61Å
698	V	77.7	Confident	81.9	Confident	40 Å²	40	35.5 Å²	35.5	24%	0.242	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-52.6	-39.4	166.3	178.2	0	0	0	0	111.6	T696	T696-V698 PolarHBondContact O-N 3.42Å; T696-V698 WeakPolarHBondContact OG1-CG2 3.36Å
699	A	79.4	Confident	82.1	Confident	3 Å²	3	36.3 Å²	36.3	3%	0.025	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-90	-4.9	178.2	0	0	0	0	0	114.2	F645 L669 M693 A695 T696 S697 R701	F645-A699 HydrophobicContact CE1-CB 4.02Å; L669-A699 HydrophobicContact CD2-CB 3.94Å; M693-A699 HydrophobicContact CE-CB 4.36Å; A695-A699 HydrophobicContact CB-CB 3.59Å; T696-A699 PolarHBondContact O-N 3.34Å; S697-A699 PolarHBondContact O-N 3.01Å; A699-R701 PolarHBondContact O-N 3.13Å
700	A	70.2	Confident	82.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-69.1	-17.1	-179.9	0	0	0	0	0	112.9	F645 S697 D722 H725 R726 R729	F645-A700 HydrophobicContact CE1-CB 3.91Å; F645-A700 HydrophobicContact CZ-CB 4.04Å; S697-A700 VanDerWaalsContact O-CB 3.31Å; S697-A700 WeakPolarHBondContact O-CB 3.33Å; S697-A700 PolarHBondContact O-N 3.29Å; S697-A700 VanDerWaalsContact O-N 3.09Å; A700-D722 WeakPolarHBondContact CB-OD1 3.25Å; A700-H725 CarbonylContact O-C 3.6Å; A700-H725 VanDerWaalsContact O-O 3.05Å; A700-R726 HydrophobicContact CB-CG 3.5Å; A700-R729 WeakPolarHBondContact O-CD 3.41Å; A700-R729 PolarHBondContact O-NE 3.23Å; A700-R729 PolarHBondContact O-NH2 3.39Å
701	R	73.3	Confident	82.5	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.015	15%	0.147	C	C	.	.	S	Bend	trans	-131.5	164.4	178.9	-69.5	170.8	-179	-109.6	16.3	110.6	E550 D552 A699 L703 H725	E550-R701 IonicContact OE2-CZ 2.84Å; E550-R701 IonicContact OE2-NH1 2.65Å; E550-R701 PolarHBondContact OE2-NH1 2.93Å; D552-R701 IonicContact OD1-CZ 3.35Å; D552-R701 IonicContact OD1-NH1 2.74Å; D552-R701 PolarHBondContact OD1-NH1 3.28Å; D552-R701 IonicContact OD1-NH2 3.87Å; D552-R701 IonicContact OD2-CZ 3.75Å; D552-R701 VanDerWaalsContact OD2-CZ 3.24Å; D552-R701 IonicContact OD2-NH1 2.64Å; D552-R701 PolarHBondContact OD2-NH1 2.77Å; D552-R701 IonicContact OD2-NH2 2.6Å; D552-R701 PolarHBondContact OD2-NH2 2.66Å; A699-R701 PolarHBondContact O-N 3.13Å; R701-L703 PolarHBondContact O-N 3.37Å; R701-H725 HydrophobicContact CG-CB 3.96Å; R701-H725 PolarHBondContact NH1-CD2 3.1Å; R701-H725 PolarHBondContact NH1-CE1 3.06Å; R701-H725 VanDerWaalsContact NH1-CE1 3.26Å; R701-H725 PolarHBondContact NH1-NE2 3.01Å; R701-H725 PolarHBondContact NH2-CD2 3.22Å; R701-H725 PolarHBondContact NH2-NE2 2.9Å
702	G	62.4	Low	82.8	Confident	2 Å²	2	26 Å²	26	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	73.7	-48.4	177.4	0	0	0	0	0	116.4	Q480 D704	Q480-G702 VanDerWaalsContact CD-O 3.32Å; Q480-G702 PolarHBondContact NE2-O 3.34Å; Q480-G702 PolarHBondContact OE1-O 3.41Å; G702-D704 PolarHBondContact O-N 2.89Å
703	L	73.6	Confident	82.9	Confident	7 Å²	7	26 Å²	26	4%	0.037	13%	0.13	C	C	.	.			trans	-64	121.1	-173.6	-161.1	76.9	0	0	0	112.3	I643 I682 M693 R701 V705 R729	I643-L703 HydrophobicContact CD1-CD2 3.91Å; I682-L703 HydrophobicContact CD1-CD1 4.36Å; I682-L703 HydrophobicContact CG1-CD1 4.15Å; I682-L703 HydrophobicContact CG2-CD1 3.86Å; M693-L703 HydrophobicContact CE-CD2 3.79Å; R701-L703 PolarHBondContact O-N 3.37Å; L703-V705 HydrophobicContact CD2-CG2 3.81Å; L703-V705 HydrophobicContact CG-CG2 3.88Å; L703-R729 PolarHBondContact O-NH1 3.36Å
704	D	71.5	Confident	83	Confident	57 Å²	57	27.4 Å²	27.4	31%	0.305	14%	0.135	S	C	.	.			trans	-105.2	124.6	164.5	-169.2	59	0	0	0	111.3	K686 G702 R732	K686-D704 VanDerWaalsContact CE-O 3.25Å; K686-D704 WeakPolarHBondContact CE-O 3.32Å; G702-D704 PolarHBondContact O-N 2.89Å; D704-R732 IonicContact OD1-NH1 3.46Å; D704-R732 PolarHBondContact OD1-NH1 3.27Å
705	V	76.6	Confident	82.9	Confident	14 Å²	14	27.7 Å²	27.7	9%	0.085	14%	0.138	C	C	.	.			trans	-136.6	114.7	-179.3	177.8	0	0	0	0	108.1	F685 K686 L703 Q707 L708	F685-V705 HydrophobicContact CD1-CG1 4.17Å; F685-V705 HydrophobicContact CD1-CG2 3.83Å; F685-V705 HydrophobicContact CE1-CB 4.33Å; F685-V705 HydrophobicContact CE1-CG1 3.88Å; F685-V705 HydrophobicContact CE1-CG2 3.86Å; K686-V705 HydrophobicContact CG-CG2 3.95Å; L703-V705 HydrophobicContact CD2-CG2 3.81Å; L703-V705 HydrophobicContact CG-CG2 3.88Å; V705-Q707 PolarHBondContact O-N 2.95Å; V705-Q707 VanDerWaalsContact O-N 3.07Å; V705-L708 HydrophobicContact CB-CB 4.42Å; V705-L708 HydrophobicContact CG1-CB 4.42Å; V705-L708 PolarHBondContact O-N 3.18Å
706	K	68.4	Low	82.7	Confident	181 Å²	181	27.8 Å²	27.8	79%	0.787	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.8	-166.2	-63.8	-170.6	173.7	-167.8	0	116.1
707	Q	72.7	Confident	82.6	Confident	140 Å²	140	27.4 Å²	27.4	65%	0.654	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.7	23.8	-176.2	-66.3	-172	-22.4	0	0	112.4	S641 V705 I709	S641-Q707 PolarHBondContact N-O 3.49Å; V705-Q707 PolarHBondContact O-N 2.95Å; V705-Q707 VanDerWaalsContact O-N 3.07Å; Q707-I709 PolarHBondContact O-N 3.48Å; Q707-I709 VanDerWaalsContact O-N 3.15Å
708	L	87.9	Confident	82.7	Confident	13 Å²	13	30.4 Å²	30.4	7%	0.068	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	106.3	173.5	-165.7	78.5	0	0	0	110	I643 F685 V705 V711 R729 T730	I643-L708 HydrophobicContact CB-CD1 4.15Å; I643-L708 HydrophobicContact CD1-CD1 3.84Å; I643-L708 HydrophobicContact CD1-CD2 3.96Å; I643-L708 HydrophobicContact CG1-CD1 3.61Å; I643-L708 HydrophobicContact CG1-CD2 4.42Å; F685-L708 HydrophobicContact CE1-CD1 4.11Å; F685-L708 HydrophobicContact CZ-CD1 3.83Å; V705-L708 HydrophobicContact CB-CB 4.42Å; V705-L708 HydrophobicContact CG1-CB 4.42Å; V705-L708 PolarHBondContact O-N 3.18Å; L708-V711 HydrophobicContact CD2-CG2 3.78Å; L708-R729 HydrophobicContact CD2-CB 3.45Å; L708-R729 VanDerWaalsContact CD2-CB 3.45Å; L708-T730 WeakPolarHBondContact O-CB 3.2Å; L708-T730 PolarHBondContact O-OG1 3.03Å
709	I	91.8	Very high	82.9	Confident	49 Å²	49	31.8 Å²	31.8	25%	0.251	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-33.1	179.6	-66.6	-172.9	0	0	0	111.1	Y636 K639 S641 Q707 T730 Y738	Y636-I709 HydrophobicContact CD1-CG2 4.32Å; K639-I709 HydrophobicContact CB-CD1 4.31Å; K639-I709 WeakPolarHBondContact O-CD1 3.32Å; S641-I709 PolarHBondContact O-N 3.42Å; Q707-I709 PolarHBondContact O-N 3.48Å; Q707-I709 VanDerWaalsContact O-N 3.15Å; I709-T730 PolarHBondContact O-OG1 2.88Å; I709-Y738 HydrophobicContact CG2-CD2 3.83Å; I709-Y738 HydrophobicContact CG2-CE2 4.05Å; I709-Y738 PolarHBondContact O-N 2.97Å
710	L	93.5	Very high	83.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.7	-173.6	174.7	66.5	0	0	0	111.3	I632 Y636 V642 I643 V712 Y738 Y740	I632-L710 HydrophobicContact CG2-CD1 4.28Å; I632-L710 HydrophobicContact CG2-CD2 3.65Å; Y636-L710 HydrophobicContact CD2-CD1 4.42Å; Y636-L710 HydrophobicContact CD2-CD2 3.88Å; Y636-L710 HydrophobicContact CG-CB 4.44Å; Y636-L710 HydrophobicContact CG-CD2 3.91Å; V642-L710 WeakPolarHBondContact CA-O 3.34Å; V642-L710 HydrophobicContact CB-CB 4.45Å; V642-L710 HydrophobicContact CG1-CB 4.06Å; V642-L710 HydrophobicContact CG1-CD2 3.62Å; V642-L710 HydrophobicContact CG1-CG 3.84Å; V642-L710 HydrophobicContact CG2-CB 4.1Å; V642-L710 HydrophobicContact CG2-CD2 4.15Å; I643-L710 PolarHBondContact N-O 3.49Å; I643-L710 VanDerWaalsContact N-O 3.12Å; L710-V712 HydrophobicContact CD1-CG2 3.99Å; L710-V712 HydrophobicContact CD2-CG2 3.79Å; L710-V712 HydrophobicContact CG-CG2 3.81Å; L710-Y738 WeakPolarHBondContact CA-O 3.21Å; L710-Y740 HydrophobicContact CD1-CD2 3.43Å; L710-Y740 VanDerWaalsContact CD1-CD2 3.43Å; L710-Y740 HydrophobicContact CD1-CE2 3.88Å; L710-Y740 HydrophobicContact CD1-CG 4.48Å
711	V	94.5	Very high	83.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.4	162.1	177	0	0	0	0	107.9	I643 F645 L708 R729 T730 Y738 A739 Y740	I643-V711 CarbonylContact O-C 3.57Å; I643-V711 WeakPolarHBondContact O-CA 3.23Å; F645-V711 HydrophobicContact CD2-CG1 3.71Å; F645-V711 HydrophobicContact CE2-CG1 3.83Å; L708-V711 HydrophobicContact CD2-CG2 3.78Å; V711-R729 HydrophobicContact CG2-CB 4.02Å; V711-T730 HydrophobicContact CG2-CG2 3.85Å; V711-Y738 PolarHBondContact N-O 2.97Å; V711-A739 HydrophobicContact CB-CB 4.48Å; V711-A739 WeakPolarHBondContact O-CA 3.36Å; V711-Y740 PolarHBondContact O-N 2.94Å
712	V	96.1	Very high	84.4	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.5	170.9	-172.3	0	0	0	0	109.1	L629 I632 I643 I644 F645 L710 Y714 Y740 F742	L629-V712 HydrophobicContact CD1-CB 4.39Å; L629-V712 HydrophobicContact CD1-CG1 4.01Å; L629-V712 HydrophobicContact CD1-CG2 4.32Å; I632-V712 HydrophobicContact CG2-CG2 4.35Å; I643-V712 PolarHBondContact O-N 3.34Å; I644-V712 CarbonylContact C-O 3.46Å; I644-V712 VanDerWaalsContact CA-O 3.32Å; I644-V712 WeakPolarHBondContact CA-O 3.48Å; I644-V712 HydrophobicContact CG1-CB 4.35Å; I644-V712 HydrophobicContact CG2-CB 4.43Å; F645-V712 PolarHBondContact N-O 3.43Å; L710-V712 HydrophobicContact CD1-CG2 3.99Å; L710-V712 HydrophobicContact CD2-CG2 3.79Å; L710-V712 HydrophobicContact CG-CG2 3.81Å; V712-Y714 PolarHBondContact O-N 3.48Å; V712-Y740 CarbonylContact C-O 3.58Å; V712-Y740 WeakPolarHBondContact CA-O 3.16Å; V712-F742 HydrophobicContact CG1-CE1 4.46Å; V712-F742 HydrophobicContact CG1-CE2 4.24Å; V712-F742 HydrophobicContact CG1-CZ 4.06Å
713	N	96.1	Very high	85.8	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	95.1	165.9	-62.1	-43.9	0	0	0	107.8	R726 Y740 T741 F742	N713-R726 WeakPolarHBondContact OD1-CD 3.25Å; N713-Y740 PolarHBondContact N-O 2.67Å; N713-T741 HydrophobicContact CB-CG2 3.87Å; N713-T741 PolarHBondContact ND2-OG1 3.49Å; N713-F742 PolarHBondContact O-N 2.64Å
714	Y	95.5	Very high	86.4	Confident	29 Å²	29	34 Å²	34	11%	0.114	16%	0.163	C	C	.	.	S	Bend	trans	-75.4	-41.6	177.6	-172	-81.5	0	0	0	110.9	K625 F626 L629 I644 F645 V646 L655 V712 F742	K625-Y714 HydrophobicContact CB-CD2 4.45Å; K625-Y714 HydrophobicContact CB-CE1 4.22Å; K625-Y714 HydrophobicContact CB-CE2 3.71Å; K625-Y714 WeakPolarHBondContact CB-OH 3.49Å; K625-Y714 HydrophobicContact CD-CD1 4.36Å; K625-Y714 HydrophobicContact CD-CE1 4Å; K625-Y714 PolarHBondContact NZ-O 2.73Å; F626-Y714 PolarHBondContact N-OH 3.03Å; L629-Y714 HydrophobicContact CB-CD2 4.32Å; L629-Y714 HydrophobicContact CB-CE2 4.19Å; L629-Y714 HydrophobicContact CD2-CD2 3.89Å; L629-Y714 HydrophobicContact CD2-CE2 3.93Å; I644-Y714 HydrophobicContact CG2-CG 4.44Å; F645-Y714 PolarHBondContact O-N 3.36Å; V646-Y714 HydrophobicContact CG1-CD1 4.37Å; L655-Y714 HydrophobicContact CD1-CE2 4.27Å; L655-Y714 HydrophobicContact CD2-CD1 4.37Å; L655-Y714 HydrophobicContact CD2-CD2 4.07Å; L655-Y714 HydrophobicContact CD2-CE2 4.38Å; L655-Y714 HydrophobicContact CD2-CG 4.06Å; V712-Y714 PolarHBondContact O-N 3.48Å; Y714-F742 AromaticContact CD2-CD2 3.93Å; Y714-F742 HydrophobicContact CD2-CD2 3.93Å; Y714-F742 AromaticContact CD2-CE2 3.72Å; Y714-F742 HydrophobicContact CD2-CE2 3.72Å; Y714-F742 HydrophobicContact CE2-CD2 4.41Å; Y714-F742 HydrophobicContact CE2-CE2 4.13Å; Y714-F742 HydrophobicContact CG-CD2 4.29Å; Y714-F742 HydrophobicContact CG-CE2 4.49Å
715	S	92.5	Very high	87.1	Confident	7 Å²	7	31.3 Å²	31.3	5%	0.049	15%	0.149	C	C	.	.	S	Bend	trans	-99.4	124.7	162.7	-47	0	0	0	0	108.9	F645 D647 R726	F645-S715 PolarHBondContact O-N 3.1Å; D647-S715 PolarHBondContact N-OG 3Å; D647-S715 VanDerWaalsContact OD1-CB 3.27Å; D647-S715 WeakPolarHBondContact OD1-CB 3.25Å; D647-S715 PolarHBondContact OD1-OG 2.93Å; S715-R726 PolarHBondContact O-NH1 3.43Å
716	C	91.1	Very high	87.7	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-52.7	133.3	174.5	-175	0	0	0	0	110.7	I754	C716-I754 VanDerWaalsContact SG-CD1 3.54Å
717	P	88.1	Confident	88.7	Confident	4 Å²	4	22.2 Å²	22.2	3%	0.026	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-69.3	137.2	175.8	26.9	-32.9	0	0	0	111.7	H719 D722 Y723	P717-H719 PolarHBondContact O-N 3.36Å; P717-D722 HydrophobicContact CB-CB 4.22Å; P717-Y723 HydrophobicContact CG-CD2 3.82Å; P717-Y723 HydrophobicContact CG-CG 4.22Å
718	N	84.1	Confident	89.3	Confident	86 Å²	86	15.6 Å²	15.6	46%	0.46	8%	0.078	S	C	.	.	S	Bend	trans	-68.6	-16.1	-176.3	-58.6	-10.2	0	0	0	114.4	Y750	N718-Y750 HydrophobicContact CB-CE1 4.26Å; N718-Y750 WeakPolarHBondContact O-CD1 3.4Å; N718-Y750 VanDerWaalsContact O-CE1 3.22Å; N718-Y750 WeakPolarHBondContact O-CE1 3.38Å
719	H	81.6	Confident	89.3	Confident	69 Å²	69	15.3 Å²	15.3	32%	0.319	8%	0.076	S	C	.	.	S	Bend	trans	-140.2	141.4	-172.1	-59.7	-30.4	0	0	0	111.2	P717 E721 D722 Y723	P717-H719 PolarHBondContact O-N 3.36Å; H719-E721 VanDerWaalsContact C-N 3.27Å; H719-E721 PolarHBondContact O-N 3.14Å; H719-D722 PolarHBondContact O-N 3.43Å; H719-D722 VanDerWaalsContact O-N 3.08Å; H719-Y723 PolarHBondContact O-N 2.92Å
720	Y	85.6	Confident	89.1	Confident	11 Å²	11	13.1 Å²	13.1	4%	0.043	6%	0.064	C	C	.	.	H	α-helix	trans	-48.1	-45.7	175	-177.5	-99.6	0	0	0	113.1	S607 D722 Y723 V724 D753 K756 A757 L760	S607-Y720 WeakPolarHBondContact O-CE1 3.47Å; S607-Y720 PolarHBondContact O-OH 2.88Å; Y720-D722 PolarHBondContact O-N 2.77Å; Y720-Y723 WeakPolarHBondContact O-CB 3.48Å; Y720-Y723 PolarHBondContact O-N 3.3Å; Y720-V724 HydrophobicContact CD1-CG2 4.32Å; Y720-V724 HydrophobicContact CE1-CG2 3.97Å; Y720-V724 WeakPolarHBondContact O-CG2 3.34Å; Y720-V724 PolarHBondContact O-N 3.15Å; Y720-V724 VanDerWaalsContact O-N 3.16Å; Y720-D753 HydrophobicContact CD2-CB 4.02Å; Y720-D753 VanDerWaalsContact CD2-O 3.23Å; Y720-D753 WeakPolarHBondContact CD2-O 3.48Å; Y720-D753 WeakPolarHBondContact CE2-O 3.35Å; Y720-K756 HydrophobicContact CE2-CG 4.32Å; Y720-A757 HydrophobicContact CD2-CB 4.46Å; Y720-A757 HydrophobicContact CE2-CB 3.74Å; Y720-L760 WeakPolarHBondContact OH-CD1 3.18Å
721	E	83.6	Confident	88.6	Confident	36 Å²	36	13.2 Å²	13.2	17%	0.168	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-41.4	-179.7	-70	72.8	-164.8	0	0	112.2	T582 H719 V724 H725	T582-E721 HydrophobicContact CG2-CB 4.1Å; T582-E721 HydrophobicContact CG2-CG 3.83Å; T582-E721 WeakPolarHBondContact OG1-CG 3.41Å; H719-E721 VanDerWaalsContact C-N 3.27Å; H719-E721 PolarHBondContact O-N 3.14Å; E721-V724 PolarHBondContact O-N 2.96Å; E721-H725 PolarHBondContact O-CD2 2.85Å; E721-H725 PolarHBondContact O-N 3.31Å
722	D	86.1	Confident	87.8	Confident	8 Å²	8	14.8 Å²	14.8	4%	0.043	7%	0.072	C	C	.	.	H	α-helix	trans	-69.9	-34.5	179.8	-160.4	50.1	0	0	0	111.4	S697 A700 P717 H719 Y720 V724 H725 R726	S697-D722 WeakPolarHBondContact CB-OD2 3.35Å; S697-D722 PolarHBondContact OG-OD2 2.85Å; A700-D722 WeakPolarHBondContact CB-OD1 3.25Å; P717-D722 HydrophobicContact CB-CB 4.22Å; H719-D722 PolarHBondContact O-N 3.43Å; H719-D722 VanDerWaalsContact O-N 3.08Å; Y720-D722 PolarHBondContact O-N 2.77Å; D722-V724 PolarHBondContact O-N 3.29Å; D722-H725 PolarHBondContact O-N 3.46Å; D722-R726 VanDerWaalsContact O-CB 3.31Å; D722-R726 WeakPolarHBondContact O-CB 3.43Å; D722-R726 WeakPolarHBondContact O-CG 3.43Å; D722-R726 PolarHBondContact O-N 3.07Å; D722-R726 IonicContact OD2-CZ 3.49Å; D722-R726 IonicContact OD2-NE 2.71Å; D722-R726 PolarHBondContact OD2-NE 2.96Å; D722-R726 IonicContact OD2-NH2 2.75Å; D722-R726 PolarHBondContact OD2-NH2 2.85Å
723	Y	90.2	Very high	86.6	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-54.9	-51.8	169.6	-178.9	-90.2	0	0	0	111.6	V609 Q615 P717 H719 Y720 H725 R726 A727 T741 I754 A757	V609-Y723 HydrophobicContact CG2-CD1 4.36Å; V609-Y723 HydrophobicContact CG2-CE1 4.2Å; Q615-Y723 PolarHBondContact OE1-OH 3.48Å; P717-Y723 HydrophobicContact CG-CD2 3.82Å; P717-Y723 HydrophobicContact CG-CG 4.22Å; H719-Y723 PolarHBondContact O-N 2.92Å; Y720-Y723 WeakPolarHBondContact O-CB 3.48Å; Y720-Y723 PolarHBondContact O-N 3.3Å; Y723-H725 VanDerWaalsContact C-N 3.29Å; Y723-H725 PolarHBondContact O-N 3.34Å; Y723-R726 PolarHBondContact O-N 2.91Å; Y723-A727 WeakPolarHBondContact O-CB 3.43Å; Y723-A727 PolarHBondContact O-N 3.27Å; Y723-T741 HydrophobicContact CE2-CG2 4.21Å; Y723-T741 WeakPolarHBondContact CE2-OG1 3.42Å; Y723-I754 HydrophobicContact CD2-CD1 4.22Å; Y723-I754 HydrophobicContact CD2-CG1 3.96Å; Y723-I754 HydrophobicContact CE2-CD1 4.3Å; Y723-I754 HydrophobicContact CE2-CG1 4.09Å; Y723-I754 HydrophobicContact CE2-CG2 4.03Å; Y723-A757 HydrophobicContact CD1-CB 3.82Å; Y723-A757 HydrophobicContact CE1-CB 3.6Å
724	V	87.7	Confident	85.4	Confident	6 Å²	6	22.3 Å²	22.3	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-38.3	-179.1	174.8	0	0	0	0	111.5	S607 V609 Y720 E721 D722 G728	S607-V724 VanDerWaalsContact O-CG2 3.28Å; S607-V724 WeakPolarHBondContact O-CG2 3.3Å; V609-V724 HydrophobicContact CG2-CB 4.27Å; V609-V724 HydrophobicContact CG2-CG1 4.26Å; V609-V724 HydrophobicContact CG2-CG2 3.87Å; Y720-V724 HydrophobicContact CD1-CG2 4.32Å; Y720-V724 HydrophobicContact CE1-CG2 3.97Å; Y720-V724 WeakPolarHBondContact O-CG2 3.34Å; Y720-V724 PolarHBondContact O-N 3.15Å; Y720-V724 VanDerWaalsContact O-N 3.16Å; E721-V724 PolarHBondContact O-N 2.96Å; D722-V724 PolarHBondContact O-N 3.29Å; V724-G728 WeakPolarHBondContact O-CA 3.41Å; V724-G728 PolarHBondContact O-N 2.81Å
725	H	85.4	Confident	84.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-77.2	-37.2	180	-82.5	-75.2	0	0	0	114.4	E550 D552 A700 R701 E721 D722 Y723 G728 R729	E550-H725 IonicContact OE1-CE1 2.71Å; E550-H725 IonicContact OE2-CE1 2.73Å; E550-H725 PolarHBondContact OE2-CE1 3.45Å; E550-H725 IonicContact OE2-ND1 2.8Å; E550-H725 PolarHBondContact OE2-ND1 3.42Å; E550-H725 IonicContact OE2-NE2 3.24Å; D552-H725 IonicContact OD2-CD2 2.72Å; D552-H725 IonicContact OD2-CE1 2.67Å; D552-H725 IonicContact OD2-NE2 3.66Å; D552-H725 PolarHBondContact OD2-NE2 3Å; A700-H725 CarbonylContact O-C 3.6Å; A700-H725 VanDerWaalsContact O-O 3.05Å; R701-H725 HydrophobicContact CG-CB 3.96Å; R701-H725 PolarHBondContact NH1-CD2 3.1Å; R701-H725 PolarHBondContact NH1-CE1 3.06Å; R701-H725 VanDerWaalsContact NH1-CE1 3.26Å; R701-H725 PolarHBondContact NH1-NE2 3.01Å; R701-H725 PolarHBondContact NH2-CD2 3.22Å; R701-H725 PolarHBondContact NH2-NE2 2.9Å; E721-H725 PolarHBondContact O-CD2 2.85Å; E721-H725 PolarHBondContact O-N 3.31Å; D722-H725 PolarHBondContact O-N 3.46Å; Y723-H725 VanDerWaalsContact C-N 3.29Å; Y723-H725 PolarHBondContact O-N 3.34Å; H725-G728 CarbonylContact O-C 3.52Å; H725-R729 PolarHBondContact O-N 3.18Å; H725-R729 PolarHBondContact O-NE 3.3Å; H725-R729 PolarHBondContact O-NH2 3.5Å
726	R	89.8	Confident	84.5	Confident	5 Å²	5	32.5 Å²	32.5	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-55.9	171.7	-72.7	-178.1	-170.5	-165.1	-0.5	110.7	F645 S697 A700 N713 S715 D722 Y723 G728 R729	F645-R726 HydrophobicContact CD1-CG 4.25Å; F645-R726 HydrophobicContact CD2-CB 3.74Å; F645-R726 HydrophobicContact CD2-CG 3.64Å; F645-R726 HydrophobicContact CE1-CG 4.4Å; F645-R726 HydrophobicContact CE2-CB 3.77Å; F645-R726 HydrophobicContact CE2-CG 3.81Å; F645-R726 HydrophobicContact CG-CB 4.47Å; F645-R726 HydrophobicContact CG-CG 3.89Å; F645-R726 HydrophobicContact CZ-CG 4.2Å; S697-R726 PolarHBondContact OG-NH2 2.61Å; A700-R726 HydrophobicContact CB-CG 3.5Å; N713-R726 WeakPolarHBondContact OD1-CD 3.25Å; S715-R726 PolarHBondContact O-NH1 3.43Å; D722-R726 VanDerWaalsContact O-CB 3.31Å; D722-R726 WeakPolarHBondContact O-CB 3.43Å; D722-R726 WeakPolarHBondContact O-CG 3.43Å; D722-R726 PolarHBondContact O-N 3.07Å; D722-R726 IonicContact OD2-CZ 3.49Å; D722-R726 IonicContact OD2-NE 2.71Å; D722-R726 PolarHBondContact OD2-NE 2.96Å; D722-R726 IonicContact OD2-NH2 2.75Å; D722-R726 PolarHBondContact OD2-NH2 2.85Å; Y723-R726 PolarHBondContact O-N 2.91Å; R726-G728 VanDerWaalsContact C-N 3.28Å; R726-G728 PolarHBondContact O-N 2.88Å; R726-R729 VanDerWaalsContact O-CB 3.29Å; R726-R729 WeakPolarHBondContact O-CB 3.26Å; R726-R729 WeakPolarHBondContact O-CG 3.49Å; R726-R729 PolarHBondContact O-N 3.33Å
727	A	89.3	Confident	84.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-43.9	175.9	0	0	0	0	0	111	V609 Y723 R729 T730 A739	V609-A727 HydrophobicContact CG1-CB 4.02Å; Y723-A727 WeakPolarHBondContact O-CB 3.43Å; Y723-A727 PolarHBondContact O-N 3.27Å; A727-R729 PolarHBondContact O-N 3.23Å; A727-T730 WeakPolarHBondContact O-CG2 3.31Å; A727-T730 PolarHBondContact O-N 3.17Å; A727-T730 VanDerWaalsContact O-N 3.13Å; A727-A739 HydrophobicContact CB-CB 3.97Å
728	G	85.3	Confident	84.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	9.3	173.4	0	0	0	0	0	116.4	T438 V724 H725 R726 R732	T438-G728 VanDerWaalsContact CB-O 3.3Å; T438-G728 WeakPolarHBondContact CB-O 3.49Å; T438-G728 VanDerWaalsContact OG1-CA 3.25Å; T438-G728 WeakPolarHBondContact OG1-CA 3.47Å; T438-G728 PolarHBondContact OG1-O 3.3Å; V724-G728 WeakPolarHBondContact O-CA 3.41Å; V724-G728 PolarHBondContact O-N 2.81Å; H725-G728 CarbonylContact O-C 3.52Å; R726-G728 VanDerWaalsContact C-N 3.28Å; R726-G728 PolarHBondContact O-N 2.88Å; G728-R732 PolarHBondContact O-NE 2.97Å; G728-R732 VanDerWaalsContact O-NE 3.16Å; G728-R732 PolarHBondContact O-NH2 3.15Å
729	R	87.2	Confident	85.3	Confident	7 Å²	7	31.2 Å²	31.2	3%	0.026	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.4	162.3	-66.8	-53	94	177.6	17.5	112	E550 F645 A700 L703 L708 V711 H725 R726 A727 R732	E550-R729 IonicContact OE1-NH2 2.99Å; F645-R729 HydrophobicContact CE2-CG 4.15Å; F645-R729 HydrophobicContact CZ-CG 4.02Å; A700-R729 WeakPolarHBondContact O-CD 3.41Å; A700-R729 PolarHBondContact O-NE 3.23Å; A700-R729 PolarHBondContact O-NH2 3.39Å; L703-R729 PolarHBondContact O-NH1 3.36Å; L708-R729 HydrophobicContact CD2-CB 3.45Å; L708-R729 VanDerWaalsContact CD2-CB 3.45Å; V711-R729 HydrophobicContact CG2-CB 4.02Å; H725-R729 PolarHBondContact O-N 3.18Å; H725-R729 PolarHBondContact O-NE 3.3Å; H725-R729 PolarHBondContact O-NH2 3.5Å; R726-R729 VanDerWaalsContact O-CB 3.29Å; R726-R729 WeakPolarHBondContact O-CB 3.26Å; R726-R729 WeakPolarHBondContact O-CG 3.49Å; R726-R729 PolarHBondContact O-N 3.33Å; A727-R729 PolarHBondContact O-N 3.23Å; R729-R732 VanDerWaalsContact O-CD 3.31Å; R729-R732 WeakPolarHBondContact O-CD 3.45Å; R729-R732 PolarHBondContact O-NE 3.1Å; R729-R732 VanDerWaalsContact O-NE 3.11Å
730	T	88.8	Confident	86	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.012	17%	0.169	C	C	.	.	S	Bend	trans	-98.2	-171.2	171.2	-169	0	0	0	0	110.7	V613 L708 I709 V711 A727 G737	V613-T730 HydrophobicContact CG1-CG2 4.08Å; V613-T730 HydrophobicContact CG2-CG2 4.18Å; L708-T730 WeakPolarHBondContact O-CB 3.2Å; L708-T730 PolarHBondContact O-OG1 3.03Å; I709-T730 PolarHBondContact O-OG1 2.88Å; V711-T730 HydrophobicContact CG2-CG2 3.85Å; A727-T730 WeakPolarHBondContact O-CG2 3.31Å; A727-T730 PolarHBondContact O-N 3.17Å; A727-T730 VanDerWaalsContact O-N 3.13Å; T730-G737 WeakPolarHBondContact OG1-CA 3.27Å
731	G	82.5	Confident	86.5	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	66.9	38.3	-178.6	0	0	0	0	0	114	N735	G731-N735 CarbonylContact C-O 3.55Å; G731-N735 VanDerWaalsContact CA-O 3.27Å; G731-N735 WeakPolarHBondContact CA-O 3.29Å
732	R	78.3	Confident	87.1	Confident	33 Å²	33	27.4 Å²	27.4	13%	0.125	16%	0.159	C	C	.	.			trans	-107.2	137.1	-167.2	-68.1	-170.6	169.4	-150.1	-2.9	113.8	D704 G728 R729 G734 N735	D704-R732 IonicContact OD1-NH1 3.46Å; D704-R732 PolarHBondContact OD1-NH1 3.27Å; G728-R732 PolarHBondContact O-NE 2.97Å; G728-R732 VanDerWaalsContact O-NE 3.16Å; G728-R732 PolarHBondContact O-NH2 3.15Å; R729-R732 VanDerWaalsContact O-CD 3.31Å; R729-R732 WeakPolarHBondContact O-CD 3.45Å; R729-R732 PolarHBondContact O-NE 3.1Å; R729-R732 VanDerWaalsContact O-NE 3.11Å; R732-G734 VanDerWaalsContact C-N 3.27Å; R732-G734 PolarHBondContact O-N 3.03Å; R732-N735 PolarHBondContact N-O 3.21Å; R732-N735 WeakPolarHBondContact O-CB 3.26Å; R732-N735 PolarHBondContact O-N 3.34Å; R732-N735 PolarHBondContact O-ND2 3.38Å
733	A	69.1	Low	87.5	Confident	95 Å²	95	27 Å²	27	79%	0.785	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.5	174.6	0	0	0	0	0	113.7	N735	A733-N735 VanDerWaalsContact C-N 3.31Å; A733-N735 PolarHBondContact O-N 2.88Å
734	G	72.2	Confident	87.6	Confident	63 Å²	63	27.1 Å²	27.1	65%	0.649	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	5.4	-179.7	0	0	0	0	0	115.2	R732	R732-G734 VanDerWaalsContact C-N 3.27Å; R732-G734 PolarHBondContact O-N 3.03Å
735	N	81.4	Confident	87.7	Confident	101 Å²	101	33.3 Å²	33.3	54%	0.54	19%	0.186	S	C	.	.			trans	-84.4	131.2	167.1	-58.2	-83	0	0	0	109.1	G731 R732 A733	G731-N735 CarbonylContact C-O 3.55Å; G731-N735 VanDerWaalsContact CA-O 3.27Å; G731-N735 WeakPolarHBondContact CA-O 3.29Å; R732-N735 PolarHBondContact N-O 3.21Å; R732-N735 WeakPolarHBondContact O-CB 3.26Å; R732-N735 PolarHBondContact O-N 3.34Å; R732-N735 PolarHBondContact O-ND2 3.38Å; A733-N735 VanDerWaalsContact C-N 3.31Å; A733-N735 PolarHBondContact O-N 2.88Å
736	K	87.3	Confident	87.8	Confident	149 Å²	149	40.8 Å²	40.8	65%	0.648	23%	0.226	S	C	*	.			trans	-63.7	147.5	169.7	-71.6	-161.8	169.1	-153.8	0	111.6	D612	D612-K736 CarbonylContact O-C 3.56Å; D612-K736 WeakPolarHBondContact O-CA 3.4Å
737	G	91.3	Very high	87.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	165.6	175.1	0	0	0	0	0	112.6	D612 V613 E614 T730	D612-G737 PolarHBondContact O-N 3.35Å; V613-G737 WeakPolarHBondContact CA-O 3.47Å; E614-G737 PolarHBondContact N-O 3.21Å; T730-G737 WeakPolarHBondContact OG1-CA 3.27Å
738	Y	93.4	Very high	87.6	Confident	63 Å²	63	42.9 Å²	42.9	25%	0.247	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.2	175.1	-55.3	-92.2	0	0	0	109.5	E614 Y636 I709 L710 V711	E614-Y738 HydrophobicContact CB-CD1 3.88Å; E614-Y738 HydrophobicContact CB-CE1 4.21Å; E614-Y738 HydrophobicContact CG-CD1 4.49Å; E614-Y738 CarbonylContact O-C 3.57Å; E614-Y738 WeakPolarHBondContact O-CA 3.28Å; Y636-Y738 HydrophobicContact CD1-CD2 4.37Å; Y636-Y738 HydrophobicContact CE1-CD1 4.34Å; Y636-Y738 AromaticContact CE1-CD2 3.61Å; Y636-Y738 HydrophobicContact CE1-CD2 3.61Å; Y636-Y738 AromaticContact CE1-CE2 3.89Å; Y636-Y738 HydrophobicContact CE1-CE2 3.89Å; Y636-Y738 AromaticContact CE1-CG 3.87Å; Y636-Y738 HydrophobicContact CE1-CG 3.87Å; Y636-Y738 WeakPolarHBondContact OH-CD1 3.44Å; I709-Y738 HydrophobicContact CG2-CD2 3.83Å; I709-Y738 HydrophobicContact CG2-CE2 4.05Å; I709-Y738 PolarHBondContact O-N 2.97Å; L710-Y738 WeakPolarHBondContact CA-O 3.21Å; V711-Y738 PolarHBondContact N-O 2.97Å
739	A	95.2	Very high	87.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	105.1	176.8	0	0	0	0	0	109.8	V613 E614 Q615 H616 V711 A727	V613-A739 HydrophobicContact CG1-CB 3.57Å; E614-A739 PolarHBondContact O-N 3.44Å; Q615-A739 WeakPolarHBondContact CA-O 3.02Å; Q615-A739 HydrophobicContact CG-CB 4.37Å; H616-A739 PolarHBondContact N-O 2.81Å; V711-A739 HydrophobicContact CB-CB 4.48Å; V711-A739 WeakPolarHBondContact O-CA 3.36Å; A727-A739 HydrophobicContact CB-CB 3.97Å
740	Y	95.9	Very high	87.9	Confident	36 Å²	36	53.8 Å²	53.8	14%	0.141	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.2	173	-72.5	-104.9	0	0	0	109.4	H616 I632 Y636 L710 V711 V712 N713	H616-Y740 HydrophobicContact CB-CD1 3.74Å; H616-Y740 HydrophobicContact CB-CE1 3.89Å; H616-Y740 HydrophobicContact CB-CG 4.2Å; H616-Y740 AromaticContact CD2-CD2 3.85Å; H616-Y740 AromaticContact CD2-CE1 3.61Å; H616-Y740 AromaticContact CD2-CE2 3.45Å; H616-Y740 VanDerWaalsContact CD2-CE2 3.45Å; H616-Y740 WeakPolarHBondContact CD2-CE2 3.35Å; H616-Y740 AromaticContact CD2-CZ 3.31Å; H616-Y740 AromaticContact CG-CE1 3.85Å; H616-Y740 AromaticContact NE2-CZ 3.84Å; H616-Y740 CarbonylContact O-C 3.59Å; H616-Y740 VanDerWaalsContact O-CA 3.31Å; H616-Y740 WeakPolarHBondContact O-CA 3.41Å; I632-Y740 HydrophobicContact CD1-CD1 3.53Å; I632-Y740 HydrophobicContact CD1-CE1 4.04Å; I632-Y740 HydrophobicContact CD1-CG 3.92Å; I632-Y740 HydrophobicContact CG1-CD1 4.18Å; I632-Y740 HydrophobicContact CG1-CE1 4.2Å; I632-Y740 HydrophobicContact CG2-CD2 4.26Å; I632-Y740 HydrophobicContact CG2-CE2 4.34Å; I632-Y740 HydrophobicContact CG2-CG 4.43Å; Y636-Y740 AromaticContact CE2-CE2 3.68Å; Y636-Y740 HydrophobicContact CE2-CE2 3.68Å; Y636-Y740 AromaticContact CE2-CZ 3.95Å; Y636-Y740 PolarHBondContact OH-OH 2.72Å; Y636-Y740 VanDerWaalsContact OH-OH 3.14Å; L710-Y740 HydrophobicContact CD1-CD2 3.43Å; L710-Y740 VanDerWaalsContact CD1-CD2 3.43Å; L710-Y740 HydrophobicContact CD1-CE2 3.88Å; L710-Y740 HydrophobicContact CD1-CG 4.48Å; V711-Y740 PolarHBondContact O-N 2.94Å; V712-Y740 CarbonylContact C-O 3.58Å; V712-Y740 WeakPolarHBondContact CA-O 3.16Å; N713-Y740 PolarHBondContact N-O 2.67Å
741	T	96	Very high	88	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.7	176.5	-59.1	0	0	0	0	110.5	H616 V617 L618 N713 Y723 I754	H616-T741 PolarHBondContact O-N 2.87Å; V617-T741 WeakPolarHBondContact CA-O 3.45Å; L618-T741 PolarHBondContact N-O 2.97Å; N713-T741 HydrophobicContact CB-CG2 3.87Å; N713-T741 PolarHBondContact ND2-OG1 3.49Å; Y723-T741 HydrophobicContact CE2-CG2 4.21Å; Y723-T741 WeakPolarHBondContact CE2-OG1 3.42Å; T741-I754 HydrophobicContact CG2-CD1 4.17Å
742	F	95.9	Very high	88.3	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.4	171.6	-55.4	-20.3	0	0	0	109	L618 I620 K625 K628 L629 I632 V712 N713 Y714	L618-F742 HydrophobicContact CB-CD1 4.45Å; L618-F742 HydrophobicContact CD1-CD1 4.37Å; L618-F742 HydrophobicContact CD1-CE1 4.12Å; I620-F742 HydrophobicContact CG2-CB 3.7Å; I620-F742 HydrophobicContact CG2-CD1 4.22Å; I620-F742 HydrophobicContact CG2-CG 3.99Å; K625-F742 HydrophobicContact CB-CD2 3.8Å; K625-F742 HydrophobicContact CB-CE2 4.09Å; K625-F742 HydrophobicContact CD-CB 4.2Å; K625-F742 HydrophobicContact CD-CD2 4.03Å; K625-F742 HydrophobicContact CG-CB 4.18Å; K625-F742 HydrophobicContact CG-CD2 3.71Å; K625-F742 HydrophobicContact CG-CE2 4.45Å; K625-F742 HydrophobicContact CG-CG 4.23Å; K625-F742 WeakPolarHBondContact O-CE2 3.48Å; K628-F742 HydrophobicContact CB-CE1 4.43Å; K628-F742 HydrophobicContact CB-CZ 4.1Å; K628-F742 HydrophobicContact CG-CE1 4.01Å; K628-F742 HydrophobicContact CG-CZ 4.11Å; L629-F742 HydrophobicContact CB-CE2 4.21Å; L629-F742 HydrophobicContact CB-CZ 4.38Å; I632-F742 HydrophobicContact CD1-CE1 3.79Å; I632-F742 HydrophobicContact CD1-CZ 3.93Å; V712-F742 HydrophobicContact CG1-CE1 4.46Å; V712-F742 HydrophobicContact CG1-CE2 4.24Å; V712-F742 HydrophobicContact CG1-CZ 4.06Å; N713-F742 PolarHBondContact O-N 2.64Å; Y714-F742 AromaticContact CD2-CD2 3.93Å; Y714-F742 HydrophobicContact CD2-CD2 3.93Å; Y714-F742 AromaticContact CD2-CE2 3.72Å; Y714-F742 HydrophobicContact CD2-CE2 3.72Å; Y714-F742 HydrophobicContact CE2-CD2 4.41Å; Y714-F742 HydrophobicContact CE2-CE2 4.13Å; Y714-F742 HydrophobicContact CG-CD2 4.29Å; Y714-F742 HydrophobicContact CG-CE2 4.49Å
743	I	94.6	Very high	88.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.1	174.4	-169.3	172.6	0	0	0	108.6	V617 L618 V619 I620 Q747 A751 I754 L769 L772	V617-I743 HydrophobicContact CG1-CG2 4.05Å; L618-I743 PolarHBondContact O-N 2.84Å; L618-I743 VanDerWaalsContact O-N 3.08Å; V619-I743 WeakPolarHBondContact CA-O 3.27Å; V619-I743 HydrophobicContact CB-CG2 4.46Å; V619-I743 HydrophobicContact CG2-CG2 4Å; I620-I743 PolarHBondContact N-O 2.6Å; I743-Q747 HydrophobicContact CD1-CB 4.44Å; I743-Q747 HydrophobicContact CG1-CB 3.67Å; I743-A751 HydrophobicContact CD1-CB 3.9Å; I743-I754 HydrophobicContact CD1-CD1 4.44Å; I743-L769 HydrophobicContact CD1-CD1 4.17Å; I743-L769 HydrophobicContact CG2-CD1 4.05Å; I743-L772 HydrophobicContact CD1-CD2 4.14Å; I743-L772 HydrophobicContact CG1-CD2 4.33Å; I743-L772 HydrophobicContact CG2-CD2 4.31Å
744	T	93.1	Very high	89.8	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.031	25%	0.252	C	S	.	.			trans	-89.8	168	173.6	63.2	0	0	0	0	110.9	E622 D746 Q747	E622-T744 VanDerWaalsContact OE2-CG2 3.31Å; E622-T744 WeakPolarHBondContact OE2-CG2 3.21Å; T744-D746 VanDerWaalsContact C-N 3.32Å; T744-D746 PolarHBondContact O-N 3.37Å; T744-Q747 WeakPolarHBondContact O-CB 3.43Å; T744-Q747 PolarHBondContact O-N 3.36Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.11Å
745	E	89.3	Confident	90.7	Very high	136 Å²	136	47.8 Å²	47.8	64%	0.636	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-61.7	-39.7	175.3	-60.3	-167.6	156.2	0	0	111.9	Q747 A748 L772	E745-Q747 PolarHBondContact O-N 3.08Å; E745-A748 VanDerWaalsContact O-CB 3.3Å; E745-A748 WeakPolarHBondContact O-CB 3.22Å; E745-A748 PolarHBondContact O-N 3.35Å; E745-L772 HydrophobicContact CB-CD1 4.37Å; E745-L772 HydrophobicContact CG-CD1 4.46Å
746	D	87.9	Confident	91	Very high	156 Å²	156	46.1 Å²	46.1	83%	0.834	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-58.7	-22.7	173.7	-45.9	-74.7	0	0	0	113.5	T744 A748	T744-D746 VanDerWaalsContact C-N 3.32Å; T744-D746 PolarHBondContact O-N 3.37Å; D746-A748 VanDerWaalsContact C-N 3.35Å
747	Q	88	Confident	91	Very high	41 Å²	41	39 Å²	39	19%	0.192	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-92	8.3	-178	-71.1	174	-0.2	0	0	112.9	I743 T744 E745 R749 Y750	I743-Q747 HydrophobicContact CD1-CB 4.44Å; I743-Q747 HydrophobicContact CG1-CB 3.67Å; T744-Q747 WeakPolarHBondContact O-CB 3.43Å; T744-Q747 PolarHBondContact O-N 3.36Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.11Å; E745-Q747 PolarHBondContact O-N 3.08Å; Q747-R749 PolarHBondContact O-N 3.39Å; Q747-Y750 HydrophobicContact CB-CD2 4.05Å; Q747-Y750 HydrophobicContact CG-CD2 4.3Å; Q747-Y750 HydrophobicContact CG-CE2 4.42Å; Q747-Y750 PolarHBondContact O-N 2.98Å
748	A	87.8	Confident	91	Very high	9 Å²	9	39 Å²	39	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-49.4	-30	179.7	0	0	0	0	0	114.9	E745 D746 Y750 A751 L772 F776	E745-A748 VanDerWaalsContact O-CB 3.3Å; E745-A748 WeakPolarHBondContact O-CB 3.22Å; E745-A748 PolarHBondContact O-N 3.35Å; D746-A748 VanDerWaalsContact C-N 3.35Å; A748-Y750 PolarHBondContact O-N 2.83Å; A748-A751 WeakPolarHBondContact O-CB 3.03Å; A748-A751 PolarHBondContact O-N 3.16Å; A748-L772 HydrophobicContact CB-CD1 3.67Å; A748-L772 HydrophobicContact CB-CD2 4.36Å; A748-L772 HydrophobicContact CB-CG 3.75Å; A748-F776 HydrophobicContact CB-CB 3.83Å; A748-F776 HydrophobicContact CB-CD2 3.89Å; A748-F776 HydrophobicContact CB-CG 4.01Å
749	R	88.7	Confident	90.7	Very high	176 Å²	176	42.1 Å²	42.1	66%	0.664	20%	0.196	S	C	*	.	H	α-helix	trans	-53.6	-36.9	173.5	-178.7	178.4	176	173.8	1.1	113	Q747 F776	Q747-R749 PolarHBondContact O-N 3.39Å; R749-F776 HydrophobicContact CB-CE1 4.2Å; R749-F776 HydrophobicContact CB-CE2 4.07Å; R749-F776 HydrophobicContact CB-CZ 3.64Å; R749-F776 HydrophobicContact CG-CE1 4.39Å; R749-F776 HydrophobicContact CG-CZ 3.97Å
750	Y	88.9	Confident	90.3	Very high	60 Å²	60	46.3 Å²	46.3	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-85	-14.3	-178.7	-51.7	-57.6	0	0	0	112.9	N718 Q747 A748 G752 D753 I754	N718-Y750 HydrophobicContact CB-CE1 4.26Å; N718-Y750 WeakPolarHBondContact O-CD1 3.4Å; N718-Y750 VanDerWaalsContact O-CE1 3.22Å; N718-Y750 WeakPolarHBondContact O-CE1 3.38Å; Q747-Y750 HydrophobicContact CB-CD2 4.05Å; Q747-Y750 HydrophobicContact CG-CD2 4.3Å; Q747-Y750 HydrophobicContact CG-CE2 4.42Å; Q747-Y750 PolarHBondContact O-N 2.98Å; A748-Y750 PolarHBondContact O-N 2.83Å; Y750-G752 VanDerWaalsContact C-N 3.27Å; Y750-G752 PolarHBondContact O-N 2.97Å; Y750-D753 PolarHBondContact O-N 3.37Å; Y750-I754 PolarHBondContact O-N 2.98Å
751	A	90.4	Very high	89.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-39.2	179.8	0	0	0	0	0	112	I743 A748 D753 I754 L755 L769 L772 W773	I743-A751 HydrophobicContact CD1-CB 3.9Å; A748-A751 WeakPolarHBondContact O-CB 3.03Å; A748-A751 PolarHBondContact O-N 3.16Å; A751-D753 PolarHBondContact O-N 2.96Å; A751-I754 PolarHBondContact O-N 3.2Å; A751-L755 WeakPolarHBondContact O-CB 3.24Å; A751-L755 VanDerWaalsContact O-CG 3.26Å; A751-L755 WeakPolarHBondContact O-CG 3.27Å; A751-L755 PolarHBondContact O-N 2.95Å; A751-L769 HydrophobicContact CB-CD1 3.77Å; A751-L772 HydrophobicContact CB-CD2 4.29Å; A751-L772 HydrophobicContact CB-CG 4.45Å; A751-W773 HydrophobicContact CB-CB 4.11Å
752	G	89.6	Confident	89.1	Confident	11 Å²	11	49.3 Å²	49.3	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-36.4	178.7	0	0	0	0	0	115.1	Y750 K756 W773	Y750-G752 VanDerWaalsContact C-N 3.27Å; Y750-G752 PolarHBondContact O-N 2.97Å; G752-K756 WeakPolarHBondContact O-CB 3.38Å; G752-K756 PolarHBondContact O-N 2.86Å; G752-W773 VanDerWaalsContact CA-CD2 3.44Å
753	D	88.3	Confident	88.7	Confident	48 Å²	48	50.5 Å²	50.5	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-74	-37.5	175.3	-87.6	-19.7	0	0	0	111	Y720 Y750 A751 A757	Y720-D753 HydrophobicContact CD2-CB 4.02Å; Y720-D753 VanDerWaalsContact CD2-O 3.23Å; Y720-D753 WeakPolarHBondContact CD2-O 3.48Å; Y720-D753 WeakPolarHBondContact CE2-O 3.35Å; Y750-D753 PolarHBondContact O-N 3.37Å; A751-D753 PolarHBondContact O-N 2.96Å; D753-A757 PolarHBondContact O-N 2.85Å
754	I	90.4	Very high	88.4	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-71.3	-40	178.5	-65.9	174.1	0	0	0	111.6	V617 C716 Y723 T741 I743 Y750 A751 K756 A757 L758 L769	V617-I754 HydrophobicContact CG1-CG2 4.24Å; V617-I754 HydrophobicContact CG2-CG2 3.63Å; C716-I754 VanDerWaalsContact SG-CD1 3.54Å; Y723-I754 HydrophobicContact CD2-CD1 4.22Å; Y723-I754 HydrophobicContact CD2-CG1 3.96Å; Y723-I754 HydrophobicContact CE2-CD1 4.3Å; Y723-I754 HydrophobicContact CE2-CG1 4.09Å; Y723-I754 HydrophobicContact CE2-CG2 4.03Å; T741-I754 HydrophobicContact CG2-CD1 4.17Å; I743-I754 HydrophobicContact CD1-CD1 4.44Å; Y750-I754 PolarHBondContact O-N 2.98Å; A751-I754 PolarHBondContact O-N 3.2Å; I754-K756 PolarHBondContact O-N 3.47Å; I754-A757 WeakPolarHBondContact O-CA 3.46Å; I754-A757 VanDerWaalsContact O-CB 3.3Å; I754-A757 WeakPolarHBondContact O-CB 3.41Å; I754-A757 PolarHBondContact O-N 3.43Å; I754-L758 WeakPolarHBondContact O-CG 3.46Å; I754-L758 PolarHBondContact O-N 3.39Å; I754-L769 HydrophobicContact CG2-CD2 4.03Å
755	L	90.8	Very high	88.2	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-55	-51.9	172.1	-77.1	166.3	0	0	0	110.8	A751 A757 L758 E759 V765 L769 E770 W773	A751-L755 WeakPolarHBondContact O-CB 3.24Å; A751-L755 VanDerWaalsContact O-CG 3.26Å; A751-L755 WeakPolarHBondContact O-CG 3.27Å; A751-L755 PolarHBondContact O-N 2.95Å; L755-A757 PolarHBondContact O-N 3.35Å; L755-L758 PolarHBondContact O-N 3.31Å; L755-L758 VanDerWaalsContact O-N 3.07Å; L755-E759 WeakPolarHBondContact O-CG 3.45Å; L755-E759 PolarHBondContact O-N 2.67Å; L755-V765 HydrophobicContact CD2-CG1 3.31Å; L755-L769 HydrophobicContact CD1-CG 4.47Å; L755-L769 HydrophobicContact CD2-CB 4.24Å; L755-L769 HydrophobicContact CD2-CD2 3.66Å; L755-L769 HydrophobicContact CD2-CG 3.77Å; L755-L769 HydrophobicContact CG-CD2 3.84Å; L755-L769 HydrophobicContact CG-CG 3.86Å; L755-E770 HydrophobicContact CD2-CG 3.9Å; L755-W773 HydrophobicContact CD1-CB 3.37Å; L755-W773 HydrophobicContact CD1-CG 3.52Å
756	K	88.5	Confident	88.4	Confident	65 Å²	65	51.1 Å²	51.1	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-30.4	174.7	179.4	180	175.1	-173.2	0	113.1	Y720 G752 I754 L760 S791	Y720-K756 HydrophobicContact CE2-CG 4.32Å; G752-K756 WeakPolarHBondContact O-CB 3.38Å; G752-K756 PolarHBondContact O-N 2.86Å; I754-K756 PolarHBondContact O-N 3.47Å; K756-L760 HydrophobicContact CG-CD1 3.88Å; K756-L760 VanDerWaalsContact O-CB 3.32Å; K756-L760 WeakPolarHBondContact O-CB 3.39Å; K756-L760 WeakPolarHBondContact O-CD1 3.34Å; K756-L760 WeakPolarHBondContact O-CG 3.39Å; K756-L760 PolarHBondContact O-N 2.8Å; K756-S791 PolarHBondContact NZ-OG 2.99Å
757	A	87.7	Confident	88.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-46.9	173.9	0	0	0	0	0	111.4	Y720 Y723 D753 I754 L755 S761	Y720-A757 HydrophobicContact CD2-CB 4.46Å; Y720-A757 HydrophobicContact CE2-CB 3.74Å; Y723-A757 HydrophobicContact CD1-CB 3.82Å; Y723-A757 HydrophobicContact CE1-CB 3.6Å; D753-A757 PolarHBondContact O-N 2.85Å; I754-A757 WeakPolarHBondContact O-CA 3.46Å; I754-A757 VanDerWaalsContact O-CB 3.3Å; I754-A757 WeakPolarHBondContact O-CB 3.41Å; I754-A757 PolarHBondContact O-N 3.43Å; L755-A757 PolarHBondContact O-N 3.35Å; A757-S761 PolarHBondContact O-N 3.11Å; A757-S761 VanDerWaalsContact O-N 3.14Å; A757-S761 PolarHBondContact O-OG 2.95Å
758	L	89.7	Confident	88.7	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-45.1	178.2	-62.8	174.7	0	0	0	112.2	Q615 V617 I754 L755 S761 G762 S763 V765 L769	Q615-L758 HydrophobicContact CB-CD2 3.62Å; V617-L758 HydrophobicContact CG2-CD1 3.95Å; V617-L758 HydrophobicContact CG2-CD2 4.36Å; I754-L758 WeakPolarHBondContact O-CG 3.46Å; I754-L758 PolarHBondContact O-N 3.39Å; L755-L758 PolarHBondContact O-N 3.31Å; L755-L758 VanDerWaalsContact O-N 3.07Å; L758-S761 PolarHBondContact O-N 2.81Å; L758-S761 PolarHBondContact O-OG 3.48Å; L758-S761 VanDerWaalsContact O-OG 3.11Å; L758-G762 PolarHBondContact O-N 3.23Å; L758-G762 VanDerWaalsContact O-N 3.08Å; L758-S763 PolarHBondContact O-N 2.62Å; L758-V765 HydrophobicContact CB-CG2 4.04Å; L758-V765 HydrophobicContact CD1-CG2 4.46Å; L758-L769 HydrophobicContact CD1-CD2 3.95Å
759	E	89.1	Confident	88.9	Confident	129 Å²	129	50.6 Å²	50.6	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-54.4	-52.7	174.8	-73.5	169.7	-175.1	0	0	111.1	L755 S761 G762	L755-E759 WeakPolarHBondContact O-CG 3.45Å; L755-E759 PolarHBondContact O-N 2.67Å; E759-S761 VanDerWaalsContact C-N 3.3Å; E759-S761 PolarHBondContact O-N 2.78Å; E759-G762 PolarHBondContact O-N 2.88Å; E759-G762 VanDerWaalsContact O-N 3.12Å
760	L	85.3	Confident	89.1	Confident	89 Å²	89	47.2 Å²	47.2	47%	0.466	28%	0.277	S	S	.	.	H	α-helix	trans	-69.6	-24.1	-176.4	-72.1	171.5	0	0	0	113.7	V608 Y720 K756	V608-L760 HydrophobicContact CG1-CB 4.16Å; V608-L760 WeakPolarHBondContact CG1-O 3.37Å; V608-L760 HydrophobicContact CG2-CB 3.9Å; V608-L760 HydrophobicContact CG2-CD1 4.36Å; Y720-L760 WeakPolarHBondContact OH-CD1 3.18Å; K756-L760 HydrophobicContact CG-CD1 3.88Å; K756-L760 VanDerWaalsContact O-CB 3.32Å; K756-L760 WeakPolarHBondContact O-CB 3.39Å; K756-L760 WeakPolarHBondContact O-CD1 3.34Å; K756-L760 WeakPolarHBondContact O-CG 3.39Å; K756-L760 PolarHBondContact O-N 2.8Å
761	S	84	Confident	89.2	Confident	24 Å²	24	50.3 Å²	50.3	17%	0.168	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.6	173.1	60.6	0	0	0	0	113.9	Q615 A757 L758 E759 S763	Q615-S761 PolarHBondContact NE2-OG 2.82Å; A757-S761 PolarHBondContact O-N 3.11Å; A757-S761 VanDerWaalsContact O-N 3.14Å; A757-S761 PolarHBondContact O-OG 2.95Å; L758-S761 PolarHBondContact O-N 2.81Å; L758-S761 PolarHBondContact O-OG 3.48Å; L758-S761 VanDerWaalsContact O-OG 3.11Å; E759-S761 VanDerWaalsContact C-N 3.3Å; E759-S761 PolarHBondContact O-N 2.78Å; S761-S763 PolarHBondContact O-N 3.4Å; S761-S763 PolarHBondContact OG-OG 3Å
762	G	84.3	Confident	89.3	Confident	74 Å²	74	51.1 Å²	51.1	76%	0.763	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	28.1	-175.8	0	0	0	0	0	113.6	L758 E759	L758-G762 PolarHBondContact O-N 3.23Å; L758-G762 VanDerWaalsContact O-N 3.08Å; E759-G762 PolarHBondContact O-N 2.88Å; E759-G762 VanDerWaalsContact O-N 3.12Å
763	S	86.8	Confident	89.4	Confident	26 Å²	26	52.9 Å²	52.9	18%	0.182	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-87.8	148.3	179.1	-58.3	0	0	0	0	110.9	Q615 L758 S761 V765	Q615-S763 PolarHBondContact NE2-OG 2.82Å; L758-S763 PolarHBondContact O-N 2.62Å; S761-S763 PolarHBondContact O-N 3.4Å; S761-S763 PolarHBondContact OG-OG 3Å; S763-V765 PolarHBondContact O-N 2.88Å
764	A	87.3	Confident	89.5	Confident	89 Å²	89	52.6 Å²	52.6	74%	0.736	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-63.7	127	179.6	0	0	0	0	0	110.9
765	V	90.4	Very high	89.5	Confident	39 Å²	39	56.1 Å²	56.1	24%	0.236	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-87	129.5	179.9	-179.4	0	0	0	0	109.9	L755 L758 S763 E770	L755-V765 HydrophobicContact CD2-CG1 3.31Å; L758-V765 HydrophobicContact CB-CG2 4.04Å; L758-V765 HydrophobicContact CD1-CG2 4.46Å; S763-V765 PolarHBondContact O-N 2.88Å; V765-E770 HydrophobicContact CG1-CG 3.52Å; V765-E770 VanDerWaalsContact CG1-OE1 3.31Å; V765-E770 WeakPolarHBondContact CG1-OE1 3.3Å
766	P	91.9	Very high	89.3	Confident	26 Å²	26	57.4 Å²	57.4	17%	0.169	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-71.5	129.8	172.4	-16.7	30.7	0	0	0	111.4	V617 E768 L769 E770	V617-P766 HydrophobicContact CB-CG 4.23Å; V617-P766 WeakPolarHBondContact O-CG 3Å; P766-E768 PolarHBondContact O-N 2.72Å; P766-L769 HydrophobicContact CB-CB 4.24Å; P766-L769 HydrophobicContact CG-CB 4.46Å; P766-L769 WeakPolarHBondContact O-CB 3.29Å; P766-L769 PolarHBondContact O-N 2.68Å; P766-E770 PolarHBondContact O-N 2.75Å
767	P	91.6	Very high	89.3	Confident	84 Å²	84	59 Å²	59	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-32.3	177.8	-27	35.7	0	0	0	113.8	L769 E770 Q771	P767-L769 VanDerWaalsContact C-N 3.27Å; P767-L769 PolarHBondContact O-N 2.71Å; P767-E770 PolarHBondContact O-N 3.49Å; P767-Q771 WeakPolarHBondContact O-CB 3.49Å; P767-Q771 VanDerWaalsContact O-CG 3.27Å; P767-Q771 WeakPolarHBondContact O-CG 3.24Å; P767-Q771 PolarHBondContact O-N 3.27Å
768	E	91.7	Very high	89.3	Confident	111 Å²	111	63.6 Å²	63.6	52%	0.519	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-36.3	174.8	-63.1	166	179.8	0	0	111.9	V619 P766 L772	V619-E768 HydrophobicContact CB-CB 4.22Å; V619-E768 HydrophobicContact CG2-CB 3.77Å; P766-E768 PolarHBondContact O-N 2.72Å; E768-L772 WeakPolarHBondContact O-CB 3.26Å; E768-L772 PolarHBondContact O-N 2.86Å
769	L	92.1	Very high	89.1	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-75	-36.9	179.1	-172.8	69.3	0	0	0	111.7	V617 I743 A751 I754 L755 L758 P766 P767 W773	V617-L769 HydrophobicContact CB-CD2 4.16Å; V617-L769 HydrophobicContact CG1-CD1 4.02Å; V617-L769 HydrophobicContact CG1-CD2 3.95Å; V617-L769 HydrophobicContact CG2-CD2 4.41Å; I743-L769 HydrophobicContact CD1-CD1 4.17Å; I743-L769 HydrophobicContact CG2-CD1 4.05Å; A751-L769 HydrophobicContact CB-CD1 3.77Å; I754-L769 HydrophobicContact CG2-CD2 4.03Å; L755-L769 HydrophobicContact CD1-CG 4.47Å; L755-L769 HydrophobicContact CD2-CB 4.24Å; L755-L769 HydrophobicContact CD2-CD2 3.66Å; L755-L769 HydrophobicContact CD2-CG 3.77Å; L755-L769 HydrophobicContact CG-CD2 3.84Å; L755-L769 HydrophobicContact CG-CG 3.86Å; L758-L769 HydrophobicContact CD1-CD2 3.95Å; P766-L769 HydrophobicContact CB-CB 4.24Å; P766-L769 HydrophobicContact CG-CB 4.46Å; P766-L769 WeakPolarHBondContact O-CB 3.29Å; P766-L769 PolarHBondContact O-N 2.68Å; P767-L769 VanDerWaalsContact C-N 3.27Å; P767-L769 PolarHBondContact O-N 2.71Å; L769-W773 PolarHBondContact O-N 3.2Å; L769-W773 VanDerWaalsContact O-N 3.12Å
770	E	91.9	Very high	88.9	Confident	104 Å²	104	64.9 Å²	64.9	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-44.5	172.3	-64.8	-179.3	169.9	0	0	111	L755 V765 P766 P767 W773 A774	L755-E770 HydrophobicContact CD2-CG 3.9Å; V765-E770 HydrophobicContact CG1-CG 3.52Å; V765-E770 VanDerWaalsContact CG1-OE1 3.31Å; V765-E770 WeakPolarHBondContact CG1-OE1 3.3Å; P766-E770 PolarHBondContact O-N 2.75Å; P767-E770 PolarHBondContact O-N 3.49Å; E770-W773 PolarHBondContact O-N 2.67Å; E770-A774 WeakPolarHBondContact O-CB 3.42Å; E770-A774 PolarHBondContact O-N 3.09Å
771	Q	92.4	Very high	88.9	Confident	125 Å²	125	68.1 Å²	68.1	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-46.2	175.9	-72.2	171.5	17	0	0	111.5	P767 W773 A774 S775	P767-Q771 WeakPolarHBondContact O-CB 3.49Å; P767-Q771 VanDerWaalsContact O-CG 3.27Å; P767-Q771 WeakPolarHBondContact O-CG 3.24Å; P767-Q771 PolarHBondContact O-N 3.27Å; Q771-W773 VanDerWaalsContact C-N 3.29Å; Q771-W773 PolarHBondContact O-N 2.91Å; Q771-A774 PolarHBondContact O-N 3.11Å; Q771-A774 VanDerWaalsContact O-N 3.15Å; Q771-S775 PolarHBondContact O-N 2.94Å; Q771-S775 PolarHBondContact O-OG 3.23Å
772	L	91.4	Very high	89	Confident	18 Å²	18	71.2 Å²	71.2	9%	0.094	41%	0.411	C	S	.	.	H	α-helix	trans	-57	-42.1	176.6	-176.2	62.4	0	0	0	112.1	V619 I743 E745 A748 A751 E768 F776	V619-L772 HydrophobicContact CG1-CD2 4.25Å; V619-L772 HydrophobicContact CG2-CD2 4.25Å; I743-L772 HydrophobicContact CD1-CD2 4.14Å; I743-L772 HydrophobicContact CG1-CD2 4.33Å; I743-L772 HydrophobicContact CG2-CD2 4.31Å; E745-L772 HydrophobicContact CB-CD1 4.37Å; E745-L772 HydrophobicContact CG-CD1 4.46Å; A748-L772 HydrophobicContact CB-CD1 3.67Å; A748-L772 HydrophobicContact CB-CD2 4.36Å; A748-L772 HydrophobicContact CB-CG 3.75Å; A751-L772 HydrophobicContact CB-CD2 4.29Å; A751-L772 HydrophobicContact CB-CG 4.45Å; E768-L772 WeakPolarHBondContact O-CB 3.26Å; E768-L772 PolarHBondContact O-N 2.86Å; L772-F776 WeakPolarHBondContact O-CB 3.48Å; L772-F776 PolarHBondContact O-N 2.85Å
773	W	92	Very high	89	Confident	47 Å²	47	72 Å²	72	18%	0.178	40%	0.395	C	S	.	.	H	α-helix	trans	-74.4	-32	177	-177.4	-134.2	0	0	0	113.6	A751 G752 L755 L769 E770 Q771 F776 K777 I787	A751-W773 HydrophobicContact CB-CB 4.11Å; G752-W773 VanDerWaalsContact CA-CD2 3.44Å; L755-W773 HydrophobicContact CD1-CB 3.37Å; L755-W773 HydrophobicContact CD1-CG 3.52Å; L769-W773 PolarHBondContact O-N 3.2Å; L769-W773 VanDerWaalsContact O-N 3.12Å; E770-W773 PolarHBondContact O-N 2.67Å; Q771-W773 VanDerWaalsContact C-N 3.29Å; Q771-W773 PolarHBondContact O-N 2.91Å; W773-F776 AromaticContact CE3-CD1 3.72Å; W773-F776 HydrophobicContact CE3-CD1 3.72Å; W773-F776 HydrophobicContact CE3-CE1 4.43Å; W773-F776 HydrophobicContact CH2-CD1 4.42Å; W773-F776 AromaticContact CZ3-CD1 3.42Å; W773-F776 HydrophobicContact CZ3-CD1 3.42Å; W773-F776 VanDerWaalsContact CZ3-CD1 3.42Å; W773-F776 AromaticContact CZ3-CE1 3.7Å; W773-F776 HydrophobicContact CZ3-CE1 3.7Å; W773-K777 VanDerWaalsContact NE1-CE 3.26Å; W773-K777 VanDerWaalsContact NE1-NZ 3.19Å; W773-K777 WeakPolarHBondContact O-CG 3.5Å; W773-K777 PolarHBondContact O-N 2.81Å; W773-I787 HydrophobicContact CH2-CG2 4.44Å
774	A	90.4	Very high	88.5	Confident	42 Å²	42	73.8 Å²	73.8	35%	0.347	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-51.3	173.4	0	0	0	0	0	111.1	E770 Q771 F776 K777 D778	E770-A774 WeakPolarHBondContact O-CB 3.42Å; E770-A774 PolarHBondContact O-N 3.09Å; Q771-A774 PolarHBondContact O-N 3.11Å; Q771-A774 VanDerWaalsContact O-N 3.15Å; A774-F776 VanDerWaalsContact C-N 3.29Å; A774-F776 PolarHBondContact O-N 2.89Å; A774-K777 WeakPolarHBondContact O-CB 3.25Å; A774-K777 PolarHBondContact O-N 2.86Å; A774-D778 PolarHBondContact O-N 3.02Å
775	S	89.6	Confident	87.9	Confident	79 Å²	79	74.7 Å²	74.7	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-55.5	-43	176	-61.9	0	0	0	0	112	Q771 D778 Q779	Q771-S775 PolarHBondContact O-N 2.94Å; Q771-S775 PolarHBondContact O-OG 3.23Å; S775-D778 PolarHBondContact O-N 3.42Å; S775-Q779 VanDerWaalsContact O-CB 3.32Å; S775-Q779 WeakPolarHBondContact O-CB 3.34Å; S775-Q779 PolarHBondContact O-N 2.66Å
776	F	87.6	Confident	86.8	Confident	35 Å²	35	79 Å²	79	15%	0.154	43%	0.431	C	S	.	.	H	α-helix	trans	-67.5	-34.8	176.9	-179	-99.9	0	0	0	113.8	A748 R749 L772 W773 A774 Q780 I787	A748-F776 HydrophobicContact CB-CB 3.83Å; A748-F776 HydrophobicContact CB-CD2 3.89Å; A748-F776 HydrophobicContact CB-CG 4.01Å; R749-F776 HydrophobicContact CB-CE1 4.2Å; R749-F776 HydrophobicContact CB-CE2 4.07Å; R749-F776 HydrophobicContact CB-CZ 3.64Å; R749-F776 HydrophobicContact CG-CE1 4.39Å; R749-F776 HydrophobicContact CG-CZ 3.97Å; L772-F776 WeakPolarHBondContact O-CB 3.48Å; L772-F776 PolarHBondContact O-N 2.85Å; W773-F776 AromaticContact CE3-CD1 3.72Å; W773-F776 HydrophobicContact CE3-CD1 3.72Å; W773-F776 HydrophobicContact CE3-CE1 4.43Å; W773-F776 HydrophobicContact CH2-CD1 4.42Å; W773-F776 AromaticContact CZ3-CD1 3.42Å; W773-F776 HydrophobicContact CZ3-CD1 3.42Å; W773-F776 VanDerWaalsContact CZ3-CD1 3.42Å; W773-F776 AromaticContact CZ3-CE1 3.7Å; W773-F776 HydrophobicContact CZ3-CE1 3.7Å; A774-F776 VanDerWaalsContact C-N 3.29Å; A774-F776 PolarHBondContact O-N 2.89Å; F776-Q780 HydrophobicContact CZ-CG 4.41Å; F776-Q780 PolarHBondContact O-N 3.18Å; F776-Q780 VanDerWaalsContact O-N 3.1Å; F776-I787 HydrophobicContact CD1-CD1 4.17Å; F776-I787 HydrophobicContact CE1-CD1 4.11Å
777	K	87.4	Confident	85.4	Confident	99 Å²	99	80.3 Å²	80.3	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-63.9	-47.7	171.6	-80.8	164.1	167.7	165.7	0	111.4	W773 A774 Q780 K781 I787	W773-K777 VanDerWaalsContact NE1-CE 3.26Å; W773-K777 VanDerWaalsContact NE1-NZ 3.19Å; W773-K777 WeakPolarHBondContact O-CG 3.5Å; W773-K777 PolarHBondContact O-N 2.81Å; A774-K777 WeakPolarHBondContact O-CB 3.25Å; A774-K777 PolarHBondContact O-N 2.86Å; K777-Q780 PolarHBondContact O-N 3.16Å; K777-K781 WeakPolarHBondContact O-CB 3.32Å; K777-K781 PolarHBondContact O-N 3.11Å; K777-I787 HydrophobicContact CB-CD1 4.46Å; K777-I787 HydrophobicContact CG-CD1 4.07Å
778	D	88.7	Confident	83.8	Confident	96 Å²	96	84.5 Å²	84.5	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-70.3	-34.7	-178.1	-73.6	-37.3	0	0	0	111.9	A774 S775 K781 A782	A774-D778 PolarHBondContact O-N 3.02Å; S775-D778 PolarHBondContact O-N 3.42Å; D778-K781 PolarHBondContact O-N 3.05Å; D778-A782 WeakPolarHBondContact O-CB 3.18Å; D778-A782 PolarHBondContact O-N 3.16Å
779	Q	85.5	Confident	81.6	Confident	113 Å²	113	84.8 Å²	84.8	53%	0.528	46%	0.46	S	S	.	.	H	α-helix	trans	-61	-53	170.9	-176.4	178.6	0.8	0	0	112	S775 K781 A782 E783	S775-Q779 VanDerWaalsContact O-CB 3.32Å; S775-Q779 WeakPolarHBondContact O-CB 3.34Å; S775-Q779 PolarHBondContact O-N 2.66Å; Q779-K781 VanDerWaalsContact C-N 3.27Å; Q779-K781 PolarHBondContact O-N 3.05Å; Q779-A782 WeakPolarHBondContact O-CB 3.4Å; Q779-A782 PolarHBondContact O-N 3.42Å; Q779-A782 VanDerWaalsContact O-N 3.11Å; Q779-E783 PolarHBondContact NE2-OE1 3.35Å; Q779-E783 WeakPolarHBondContact O-CG 3.26Å; Q779-E783 PolarHBondContact O-N 2.59Å
780	Q	84.4	Confident	79.2	Confident	43 Å²	43	89 Å²	89	20%	0.201	49%	0.489	C	S	.	.	H	α-helix	trans	-65.7	-30.9	178.2	-81.6	-158.3	83.1	0	0	113	F776 K777 E783 G784 K785 I787	F776-Q780 HydrophobicContact CZ-CG 4.41Å; F776-Q780 PolarHBondContact O-N 3.18Å; F776-Q780 VanDerWaalsContact O-N 3.1Å; K777-Q780 PolarHBondContact O-N 3.16Å; Q780-E783 CarbonylContact O-C 3.57Å; Q780-E783 PolarHBondContact O-N 3.35Å; Q780-G784 PolarHBondContact O-N 2.74Å; Q780-K785 HydrophobicContact CB-CB 4.23Å; Q780-K785 PolarHBondContact O-N 3.08Å; Q780-I787 HydrophobicContact CB-CD1 3.96Å; Q780-I787 HydrophobicContact CB-CG1 3.91Å; Q780-I787 HydrophobicContact CG-CD1 4.4Å; Q780-I787 HydrophobicContact CG-CG1 4.47Å
781	K	85.2	Confident	76.9	Confident	156 Å²	156	86.7 Å²	86.7	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-65.6	-38.1	172	-177.2	-177	172.1	-166.8	0	111.8	K777 D778 Q779 G784	K777-K781 WeakPolarHBondContact O-CB 3.32Å; K777-K781 PolarHBondContact O-N 3.11Å; D778-K781 PolarHBondContact O-N 3.05Å; Q779-K781 VanDerWaalsContact C-N 3.27Å; Q779-K781 PolarHBondContact O-N 3.05Å; K781-G784 PolarHBondContact O-N 3.5Å; K781-G784 VanDerWaalsContact O-N 3.15Å
782	A	86.1	Confident	74.5	Confident	89 Å²	89	82.3 Å²	82.3	74%	0.736	47%	0.473	S	S	*	.	H	α-helix	trans	-67.6	-34.2	171.6	0	0	0	0	0	112.2	D778 Q779 G784	D778-A782 WeakPolarHBondContact O-CB 3.18Å; D778-A782 PolarHBondContact O-N 3.16Å; Q779-A782 WeakPolarHBondContact O-CB 3.4Å; Q779-A782 PolarHBondContact O-N 3.42Å; Q779-A782 VanDerWaalsContact O-N 3.11Å; A782-G784 PolarHBondContact O-N 2.84Å
783	E	84.6	Confident	72.3	Confident	90 Å²	90	85.8 Å²	85.8	42%	0.421	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	4.6	169.9	-65.1	176.1	-158.6	0	0	113.8	Q779 Q780 K785	Q779-E783 PolarHBondContact NE2-OE1 3.35Å; Q779-E783 WeakPolarHBondContact O-CG 3.26Å; Q779-E783 PolarHBondContact O-N 2.59Å; Q780-E783 CarbonylContact O-C 3.57Å; Q780-E783 PolarHBondContact O-N 3.35Å; E783-K785 HydrophobicContact CB-CD 4.09Å; E783-K785 HydrophobicContact CB-CG 4.34Å; E783-K785 PolarHBondContact O-N 3.06Å; E783-K785 WeakPolarHBondContact OE2-CD 3.07Å; E783-K785 WeakPolarHBondContact OE2-CE 3.37Å; E783-K785 IonicContact OE2-NZ 2.79Å; E783-K785 PolarHBondContact OE2-NZ 3.12Å
784	G	76.7	Confident	69.9	Low	64 Å²	64	88.9 Å²	88.9	66%	0.66	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	5.3	-178.8	0	0	0	0	0	115.2	Q780 K781 A782 V786	Q780-G784 PolarHBondContact O-N 2.74Å; K781-G784 PolarHBondContact O-N 3.5Å; K781-G784 VanDerWaalsContact O-N 3.15Å; A782-G784 PolarHBondContact O-N 2.84Å; G784-V786 PolarHBondContact O-N 2.88Å
785	K	75.4	Confident	67.4	Low	109 Å²	109	88.3 Å²	88.3	47%	0.474	52%	0.515	S	S	.	.			trans	-86.9	108.2	-175.6	-67.8	167.4	-170.9	165.8	0	110.5	Q780 E783 I787	Q780-K785 HydrophobicContact CB-CB 4.23Å; Q780-K785 PolarHBondContact O-N 3.08Å; E783-K785 HydrophobicContact CB-CD 4.09Å; E783-K785 HydrophobicContact CB-CG 4.34Å; E783-K785 PolarHBondContact O-N 3.06Å; E783-K785 WeakPolarHBondContact OE2-CD 3.07Å; E783-K785 WeakPolarHBondContact OE2-CE 3.37Å; E783-K785 IonicContact OE2-NZ 2.79Å; E783-K785 PolarHBondContact OE2-NZ 3.12Å; K785-I787 PolarHBondContact O-N 2.79Å
786	V	67.1	Low	64.9	Low	128 Å²	128	93.8 Å²	93.8	78%	0.776	53%	0.529	S	S	*	.			trans	-66.8	107.5	171.6	-179.7	0	0	0	0	109.5	G784 K788	G784-V786 PolarHBondContact O-N 2.88Å; V786-K788 VanDerWaalsContact C-N 3.34Å; V786-K788 PolarHBondContact O-N 3.04Å
787	I	61.8	Low	62.5	Low	54 Å²	54	94.7 Å²	94.7	28%	0.277	55%	0.548	S	S	.	.			trans	-65.3	93.4	171.6	-54.7	-173.9	0	0	0	109.1	W773 F776 K777 Q780 K785 S789	W773-I787 HydrophobicContact CH2-CG2 4.44Å; F776-I787 HydrophobicContact CD1-CD1 4.17Å; F776-I787 HydrophobicContact CE1-CD1 4.11Å; K777-I787 HydrophobicContact CB-CD1 4.46Å; K777-I787 HydrophobicContact CG-CD1 4.07Å; Q780-I787 HydrophobicContact CB-CD1 3.96Å; Q780-I787 HydrophobicContact CB-CG1 3.91Å; Q780-I787 HydrophobicContact CG-CD1 4.4Å; Q780-I787 HydrophobicContact CG-CG1 4.47Å; K785-I787 PolarHBondContact O-N 2.79Å; I787-S789 PolarHBondContact O-N 2.85Å; I787-S789 VanDerWaalsContact O-N 3.15Å
788	K	56.9	Low	59.9	Low	173 Å²	173	98.6 Å²	98.6	75%	0.752	57%	0.565	S	S	*	*			trans	-64.9	111.5	164.1	-71.9	180	178.4	174.6	0	107.9	V786 S790	V786-K788 VanDerWaalsContact C-N 3.34Å; V786-K788 PolarHBondContact O-N 3.04Å; K788-S790 PolarHBondContact O-N 3.47Å
789	S	47.3	Very low	57.3	Low	116 Å²	116	103.3 Å²	103.3	81%	0.811	58%	0.581	S	S	*	*			trans	-72.5	34.2	177.2	54.7	0	0	0	0	113.4	I787 S791	I787-S789 PolarHBondContact O-N 2.85Å; I787-S789 VanDerWaalsContact O-N 3.15Å; S789-S791 PolarHBondContact O-N 2.84Å
790	S	40.8	Very low	54.8	Low	88 Å²	88	103.4 Å²	103.4	62%	0.615	58%	0.58	S	S	*	*			trans	-71.7	90.3	174.3	53.3	0	0	0	0	109.8	K788 G792	K788-S790 PolarHBondContact O-N 3.47Å; S790-G792 PolarHBondContact O-N 3.5Å
791	S	43.8	Very low	53.1	Low	56 Å²	56	106.4 Å²	106.4	39%	0.392	60%	0.597	S	S	.	*			trans	-68.1	72.1	160.9	65.3	0	0	0	0	108.7	K756 S789	K756-S791 PolarHBondContact NZ-OG 2.99Å; S789-S791 PolarHBondContact O-N 2.84Å
792	G	41.1	Very low	51.2	Low	34 Å²	34	107.5 Å²	107.5	35%	0.351	61%	0.605	S	S	.	*	S	Bend	trans	-145.4	138.7	-170.2	0	0	0	0	0	108.9	S790 S794	S790-G792 PolarHBondContact O-N 3.5Å; G792-S794 PolarHBondContact O-N 3.36Å
793	F	46.3	Very low	49.6	Very low	90 Å²	90	108 Å²	108	40%	0.395	60%	0.599	S	S	.	*			trans	-63.9	93.3	-169.4	-170.7	-98.9	0	0	0	111.8	D556 A586	D556-F793 HydrophobicContact CB-CE2 4Å; D556-F793 HydrophobicContact CB-CZ 4.38Å; A586-F793 HydrophobicContact CB-CB 3.95Å; A586-F793 HydrophobicContact CB-CD1 4.49Å
794	S	42	Very low	48	Very low	113 Å²	113	108.6 Å²	108.6	79%	0.79	60%	0.602	S	S	*	*			trans	-127	28	-179.9	-175.4	0	0	0	0	111.4	G792	G792-S794 PolarHBondContact O-N 3.36Å
795	G	36.7	Very low	46.8	Very low	30 Å²	30	110.5 Å²	110.5	31%	0.309	59%	0.593	S	S	.	*			trans	-90.7	126.1	169.8	0	0	0	0	0	110.3	G797	G795-G797 PolarHBondContact O-N 3.11Å; G795-G797 VanDerWaalsContact O-N 3.12Å
796	K	38.3	Very low	46	Very low	194 Å²	194	107.8 Å²	107.8	84%	0.843	59%	0.591	S	S	*	*			trans	-62.8	110.9	155.5	-70.9	-175.5	177.1	-175.7	0	106.3
797	G	36.3	Very low	45.7	Very low	54 Å²	54	106.7 Å²	106.7	56%	0.557	58%	0.581	S	S	*	*	S	Bend	trans	-59.9	144	-177.4	0	0	0	0	0	111.6	G795	G795-G797 PolarHBondContact O-N 3.11Å; G795-G797 VanDerWaalsContact O-N 3.12Å
798	F	33.6	Very low	45.4	Very low	181 Å²	181	106.3 Å²	106.3	79%	0.794	59%	0.585	S	S	*	*	S	Bend	trans	40.3	83.8	178.4	-126.5	-89.5	0	0	0	114.2	F800	F798-F800 VanDerWaalsContact C-N 3.31Å; F798-F800 PolarHBondContact O-N 3.39Å
799	K	34.1	Very low	45.3	Very low	195 Å²	195	101.6 Å²	101.6	85%	0.848	57%	0.568	S	S	*	*			trans	-62.1	96.4	165.3	-82	-163.7	171.1	-161.7	0	109.4
800	F	32.3	Very low	45.6	Very low	115 Å²	115	101.8 Å²	101.8	50%	0.504	56%	0.557	S	S	.	*			trans	-51.3	149	146.6	-74.3	-78.6	0	0	0	109.5	F798 E804	F798-F800 VanDerWaalsContact C-N 3.31Å; F798-F800 PolarHBondContact O-N 3.39Å; F800-E804 HydrophobicContact CB-CB 4.27Å; F800-E804 HydrophobicContact CD1-CB 4.37Å; F800-E804 HydrophobicContact CD1-CG 3.85Å; F800-E804 WeakPolarHBondContact CD1-OE2 3.26Å; F800-E804 HydrophobicContact CE1-CG 4.48Å; F800-E804 WeakPolarHBondContact CE1-OE1 3.44Å
801	D	49.9	Very low	46.5	Very low	105 Å²	105	106.4 Å²	106.4	56%	0.561	56%	0.56	S	S	*	*			trans	-61	155.9	174.6	-79.3	-35.1	0	0	0	110.5	T803 E804 H805	D801-T803 PolarHBondContact O-N 3.48Å; D801-T803 VanDerWaalsContact O-N 3.15Å; D801-E804 PolarHBondContact O-N 3.46Å; D801-H805 PolarHBondContact O-N 2.81Å
802	E	45	Very low	47	Very low	179 Å²	179	110 Å²	110	84%	0.836	57%	0.569	S	S	*	*	H	α-helix	trans	-60	-31.7	-171.5	-158.7	154.3	-121.2	0	0	112.2	A806	E802-A806 WeakPolarHBondContact O-CB 3.4Å; E802-A806 PolarHBondContact O-N 3.2Å
803	T	52.2	Low	47.8	Very low	101 Å²	101	115.8 Å²	115.8	62%	0.62	58%	0.584	S	S	*	*	H	α-helix	trans	-65.3	-42.5	169.9	46.6	0	0	0	0	113.6	D801 A806 L807	D801-T803 PolarHBondContact O-N 3.48Å; D801-T803 VanDerWaalsContact O-N 3.15Å; T803-A806 WeakPolarHBondContact O-CB 3.02Å; T803-A806 PolarHBondContact O-N 3.25Å; T803-L807 WeakPolarHBondContact O-CG 3.31Å; T803-L807 PolarHBondContact O-N 3.42Å
804	E	50.1	Low	48.1	Very low	101 Å²	101	117.3 Å²	117.3	47%	0.472	60%	0.596	S	S	.	*	H	α-helix	trans	-79.2	-30.1	-179	-166.1	174	178.5	0	0	111.5	F800 D801 A808	F800-E804 HydrophobicContact CB-CB 4.27Å; F800-E804 HydrophobicContact CD1-CB 4.37Å; F800-E804 HydrophobicContact CD1-CG 3.85Å; F800-E804 WeakPolarHBondContact CD1-OE2 3.26Å; F800-E804 HydrophobicContact CE1-CG 4.48Å; F800-E804 WeakPolarHBondContact CE1-OE1 3.44Å; D801-E804 PolarHBondContact O-N 3.46Å; E804-A808 VanDerWaalsContact O-CB 3.23Å; E804-A808 WeakPolarHBondContact O-CB 3.32Å; E804-A808 PolarHBondContact O-N 3.01Å
805	H	51.3	Low	48.5	Very low	104 Å²	104	115.8 Å²	115.8	48%	0.481	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-39	166.5	-173.7	-81.3	0	0	0	111.7	D801 A808 N809	D801-H805 PolarHBondContact O-N 2.81Å; H805-A808 PolarHBondContact O-N 2.99Å; H805-N809 WeakPolarHBondContact O-CB 3.42Å; H805-N809 PolarHBondContact O-N 3.24Å
806	A	58.7	Low	49.3	Very low	52 Å²	52	117.2 Å²	117.2	43%	0.43	57%	0.574	S	S	.	*	H	α-helix	trans	-62.2	-50	172.3	0	0	0	0	0	111.4	E802 T803 A808 N809 E810	E802-A806 WeakPolarHBondContact O-CB 3.4Å; E802-A806 PolarHBondContact O-N 3.2Å; T803-A806 WeakPolarHBondContact O-CB 3.02Å; T803-A806 PolarHBondContact O-N 3.25Å; A806-A808 VanDerWaalsContact C-N 3.32Å; A806-A808 PolarHBondContact O-N 3.02Å; A806-N809 CarbonylContact O-C 3.58Å; A806-N809 PolarHBondContact O-N 3.35Å; A806-N809 VanDerWaalsContact O-N 3.09Å; A806-E810 PolarHBondContact O-N 3.03Å
807	L	61.6	Low	50.1	Low	106 Å²	106	111.7 Å²	111.7	56%	0.555	57%	0.565	S	S	*	*	H	α-helix	trans	-60.7	-37.3	175.4	-75.4	167.1	0	0	0	112.7	T803 N809 R811	T803-L807 WeakPolarHBondContact O-CG 3.31Å; T803-L807 PolarHBondContact O-N 3.42Å; L807-N809 VanDerWaalsContact C-N 3.34Å; L807-R811 WeakPolarHBondContact O-CB 3.16Å; L807-R811 PolarHBondContact O-N 3.46Å
808	A	56.1	Low	50.6	Low	45 Å²	45	113.4 Å²	113.4	37%	0.372	57%	0.573	S	S	.	*	H	α-helix	trans	-66.4	-35.8	174.7	0	0	0	0	0	112.2	E804 H805 A806 K812	E804-A808 VanDerWaalsContact O-CB 3.23Å; E804-A808 WeakPolarHBondContact O-CB 3.32Å; E804-A808 PolarHBondContact O-N 3.01Å; H805-A808 PolarHBondContact O-N 2.99Å; A806-A808 VanDerWaalsContact C-N 3.32Å; A806-A808 PolarHBondContact O-N 3.02Å; A808-K812 WeakPolarHBondContact O-CB 3.33Å; A808-K812 VanDerWaalsContact O-CG 3.28Å; A808-K812 WeakPolarHBondContact O-CG 3.42Å; A808-K812 PolarHBondContact O-N 3.39Å
809	N	54	Low	51.2	Low	75 Å²	75	108.5 Å²	108.5	40%	0.401	56%	0.555	S	S	.	*	H	α-helix	trans	-75.2	-40	174.5	-86.6	1.9	0	0	0	112.7	H805 A806 L807 K812 K813	H805-N809 WeakPolarHBondContact O-CB 3.42Å; H805-N809 PolarHBondContact O-N 3.24Å; A806-N809 CarbonylContact O-C 3.58Å; A806-N809 PolarHBondContact O-N 3.35Å; A806-N809 VanDerWaalsContact O-N 3.09Å; L807-N809 VanDerWaalsContact C-N 3.34Å; N809-K812 PolarHBondContact O-N 3.3Å; N809-K813 WeakPolarHBondContact O-CB 3.45Å; N809-K813 PolarHBondContact O-N 2.84Å
810	E	54.3	Low	51.7	Low	120 Å²	120	102.4 Å²	102.4	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-58.5	-47.9	169.4	-82.9	-163.8	120.6	0	0	110.9	A806 K812 K813 L814	A806-E810 PolarHBondContact O-N 3.03Å; E810-K812 VanDerWaalsContact C-N 3.31Å; E810-K812 PolarHBondContact O-N 2.72Å; E810-K813 PolarHBondContact O-N 3.27Å; E810-L814 WeakPolarHBondContact O-CB 3.49Å; E810-L814 WeakPolarHBondContact O-CG 3.29Å; E810-L814 PolarHBondContact O-N 2.87Å
811	R	58.5	Low	52.4	Low	185 Å²	185	102.6 Å²	102.6	70%	0.698	55%	0.553	S	S	*	*	H	α-helix	trans	-60.6	-39.2	178.5	-167.5	176.7	-165.8	167.2	9	111.9	L807 Q815	L807-R811 WeakPolarHBondContact O-CB 3.16Å; L807-R811 PolarHBondContact O-N 3.46Å; R811-Q815 WeakPolarHBondContact O-CB 3.41Å; R811-Q815 PolarHBondContact O-N 3.44Å
812	K	54.4	Low	52.1	Low	132 Å²	132	104.3 Å²	104.3	57%	0.574	56%	0.558	S	S	*	*	H	α-helix	trans	-65.5	-42.2	170.8	-78.7	172.4	-179.7	175.3	0	112.6	A808 N809 E810 Q815 K816	A808-K812 WeakPolarHBondContact O-CB 3.33Å; A808-K812 VanDerWaalsContact O-CG 3.28Å; A808-K812 WeakPolarHBondContact O-CG 3.42Å; A808-K812 PolarHBondContact O-N 3.39Å; N809-K812 PolarHBondContact O-N 3.3Å; E810-K812 VanDerWaalsContact C-N 3.31Å; E810-K812 PolarHBondContact O-N 2.72Å; K812-Q815 PolarHBondContact O-N 3.42Å; K812-K816 WeakPolarHBondContact O-CB 3.47Å; K812-K816 PolarHBondContact O-N 3.18Å
813	K	58.4	Low	51.9	Low	154 Å²	154	102.3 Å²	102.3	67%	0.67	55%	0.553	S	S	*	*	H	α-helix	trans	-69.8	-43.2	-177.5	-164.2	164.3	-174.1	168.5	0	111.3	N809 E810 K816 A817	N809-K813 WeakPolarHBondContact O-CB 3.45Å; N809-K813 PolarHBondContact O-N 2.84Å; E810-K813 PolarHBondContact O-N 3.27Å; K813-K816 PolarHBondContact O-N 3.23Å; K813-A817 VanDerWaalsContact O-CB 3.32Å; K813-A817 WeakPolarHBondContact O-CB 3.34Å; K813-A817 PolarHBondContact O-N 3.46Å
814	L	52.1	Low	51.3	Low	123 Å²	123	101.8 Å²	101.8	64%	0.644	55%	0.553	S	S	*	*	H	α-helix	trans	-59.3	-43.6	168	-77.3	162	0	0	0	111.7	E810 A818	E810-L814 WeakPolarHBondContact O-CB 3.49Å; E810-L814 WeakPolarHBondContact O-CG 3.29Å; E810-L814 PolarHBondContact O-N 2.87Å; L814-A818 WeakPolarHBondContact O-CB 3.37Å; L814-A818 PolarHBondContact O-N 3.24Å
815	Q	50.4	Low	50.9	Low	81 Å²	81	102.8 Å²	102.8	38%	0.379	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-40.3	176.7	169.8	169.1	-5.3	0	0	113.1	F330 R811 K812 L819	F330-Q815 VanDerWaalsContact CE1-CD 3.49Å; F330-Q815 HydrophobicContact CE1-CG 3.69Å; F330-Q815 HydrophobicContact CZ-CB 4.29Å; F330-Q815 VanDerWaalsContact CZ-CD 3.48Å; F330-Q815 HydrophobicContact CZ-CG 3.8Å; R811-Q815 WeakPolarHBondContact O-CB 3.41Å; R811-Q815 PolarHBondContact O-N 3.44Å; K812-Q815 PolarHBondContact O-N 3.42Å; Q815-L819 HydrophobicContact CG-CD1 4.22Å; Q815-L819 WeakPolarHBondContact O-CD1 3.25Å; Q815-L819 WeakPolarHBondContact O-CG 3.36Å; Q815-L819 PolarHBondContact O-N 2.96Å
816	K	52.9	Low	50.7	Low	60 Å²	60	102.9 Å²	102.9	26%	0.261	57%	0.566	S	S	.	*	H	α-helix	trans	-69.2	-43.8	177.9	-164.5	171.2	-173.2	-175	0	110.4	K812 K813 L819 G820 L821 S824 D825	K812-K816 WeakPolarHBondContact O-CB 3.47Å; K812-K816 PolarHBondContact O-N 3.18Å; K813-K816 PolarHBondContact O-N 3.23Å; K816-L819 PolarHBondContact O-N 3.09Å; K816-G820 PolarHBondContact O-N 3.05Å; K816-L821 VanDerWaalsContact CE-O 3.23Å; K816-L821 WeakPolarHBondContact CE-O 3.31Å; K816-L821 VanDerWaalsContact CG-O 3.23Å; K816-L821 WeakPolarHBondContact CG-O 3.28Å; K816-S824 PolarHBondContact NZ-OG 2.87Å; K816-D825 IonicContact NZ-OD2 3.74Å; K816-D825 PolarHBondContact NZ-OD2 3.47Å
817	A	56.2	Low	50.1	Low	78 Å²	78	108 Å²	108	65%	0.645	58%	0.581	S	S	*	*	H	α-helix	trans	-62.4	-44.5	174.4	0	0	0	0	0	113.2	K813 L819 G820	K813-A817 VanDerWaalsContact O-CB 3.32Å; K813-A817 WeakPolarHBondContact O-CB 3.34Å; K813-A817 PolarHBondContact O-N 3.46Å; A817-L819 PolarHBondContact O-N 2.94Å; A817-G820 PolarHBondContact O-N 3.37Å
818	A	47.3	Very low	49.2	Very low	89 Å²	89	110.1 Å²	110.1	74%	0.736	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-12	178.9	0	0	0	0	0	114.2	L814	L814-A818 WeakPolarHBondContact O-CB 3.37Å; L814-A818 PolarHBondContact O-N 3.24Å
819	L	46.3	Very low	49	Very low	79 Å²	79	110 Å²	110	41%	0.414	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.8	-3.4	175.4	-77.8	168.6	0	0	0	113.5	Q815 K816 A817 L821	Q815-L819 HydrophobicContact CG-CD1 4.22Å; Q815-L819 WeakPolarHBondContact O-CD1 3.25Å; Q815-L819 WeakPolarHBondContact O-CG 3.36Å; Q815-L819 PolarHBondContact O-N 2.96Å; K816-L819 PolarHBondContact O-N 3.09Å; A817-L819 PolarHBondContact O-N 2.94Å; L819-L821 WeakPolarHBondContact O-CD1 3.37Å; L819-L821 PolarHBondContact O-N 3.04Å; L819-L821 VanDerWaalsContact O-N 3.15Å
820	G	44.2	Very low	48.8	Very low	66 Å²	66	107.7 Å²	107.7	68%	0.68	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	3.5	179.2	0	0	0	0	0	115.6	K816 A817 Q822	K816-G820 PolarHBondContact O-N 3.05Å; A817-G820 PolarHBondContact O-N 3.37Å; G820-Q822 PolarHBondContact O-N 3.37Å
821	L	47.1	Very low	48.7	Very low	120 Å²	120	107.5 Å²	107.5	63%	0.628	59%	0.59	S	S	*	*			trans	-86.5	80.6	174.8	-88.3	72.6	0	0	0	110.1	K816 L819	K816-L821 VanDerWaalsContact CE-O 3.23Å; K816-L821 WeakPolarHBondContact CE-O 3.31Å; K816-L821 VanDerWaalsContact CG-O 3.23Å; K816-L821 WeakPolarHBondContact CG-O 3.28Å; L819-L821 WeakPolarHBondContact O-CD1 3.37Å; L819-L821 PolarHBondContact O-N 3.04Å; L819-L821 VanDerWaalsContact O-N 3.15Å
822	Q	43.4	Very low	48.7	Very low	140 Å²	140	104.8 Å²	104.8	65%	0.654	59%	0.589	S	S	*	*			trans	-78.9	167.4	158.1	-156	150.1	-4.4	0	0	109.6	G820	G820-Q822 PolarHBondContact O-N 3.37Å
823	D	41	Very low	49.2	Very low	137 Å²	137	99.2 Å²	99.2	73%	0.733	57%	0.565	S	S	*	*	S	Bend	trans	68	104.4	-179.6	-50.2	-19.1	0	0	0	115.5
824	S	39.6	Very low	49.5	Very low	90 Å²	90	95.8 Å²	95.8	63%	0.629	55%	0.551	S	S	*	*	S	Bend	trans	172.3	-20.5	161.5	26.1	0	0	0	0	115.1	K816	K816-S824 PolarHBondContact NZ-OG 2.87Å
825	D	40.6	Very low	50.2	Low	122 Å²	122	96.9 Å²	96.9	65%	0.652	55%	0.553	S	S	*	*	S	Bend	trans	-120.7	0.8	-171.8	-71.3	-61.1	0	0	0	113.9	K816	K816-D825 IonicContact NZ-OD2 3.74Å; K816-D825 PolarHBondContact NZ-OD2 3.47Å
826	D	46.6	Very low	51.1	Low	106 Å²	106	98.1 Å²	98.1	57%	0.567	56%	0.559	S	S	*	*			trans	-97.1	14.1	-169.1	-64	-68.5	0	0	0	114.3	G829 A830	D826-G829 PolarHBondContact O-N 3.05Å; D826-A830 PolarHBondContact O-N 3.4Å
827	E	46.6	Very low	52	Low	159 Å²	159	95.3 Å²	95.3	74%	0.743	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-39.2	178	-67.5	-167.6	140.6	0	0	112.8	G829 A830	E827-G829 PolarHBondContact O-N 3.05Å; E827-G829 VanDerWaalsContact O-N 3.16Å; E827-A830 PolarHBondContact O-N 3.13Å
828	D	43.6	Very low	52.6	Low	152 Å²	152	98.6 Å²	98.6	81%	0.813	55%	0.549	S	S	*	.	H	α-helix	trans	-59.8	-26.6	177.7	-79.7	-18.8	0	0	0	112.7
829	G	51.1	Low	53.6	Low	41 Å²	41	98.9 Å²	98.9	42%	0.423	55%	0.546	S	S	.	.	H	α-helix	trans	-90.4	-16.1	176.5	0	0	0	0	0	114.3	D826 E827 I833	D826-G829 PolarHBondContact O-N 3.05Å; E827-G829 PolarHBondContact O-N 3.05Å; E827-G829 VanDerWaalsContact O-N 3.16Å; G829-I833 WeakPolarHBondContact O-CD1 3.16Å; G829-I833 WeakPolarHBondContact O-CG1 3.18Å
830	A	50.4	Low	54.7	Low	28 Å²	28	98.1 Å²	98.1	23%	0.231	54%	0.541	C	S	.	.	H	α-helix	trans	-80.3	-18.7	-175.5	0	0	0	0	0	113.4	D826 E827 E834 K1048	D826-A830 PolarHBondContact O-N 3.4Å; E827-A830 PolarHBondContact O-N 3.13Å; A830-E834 PolarHBondContact O-N 2.82Å; A830-K1048 WeakPolarHBondContact O-CE 3.43Å; A830-K1048 PolarHBondContact O-NZ 3.1Å
831	L	52	Low	56.1	Low	116 Å²	116	95.8 Å²	95.8	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-81.2	-48.8	-178.9	-63.6	168.9	0	0	0	112	I833 E834 E835	L831-I833 PolarHBondContact O-N 2.69Å; L831-E834 WeakPolarHBondContact O-CB 3.4Å; L831-E834 PolarHBondContact O-N 2.71Å; L831-E835 PolarHBondContact O-N 3.49Å; L831-E835 VanDerWaalsContact O-N 3.09Å
832	D	58.8	Low	56.9	Low	128 Å²	128	94.3 Å²	94.3	68%	0.684	50%	0.504	S	S	*	.	H	α-helix	trans	-52.2	-43.1	174.8	-103	6.8	0	0	0	111.4	E834 Q836	D832-E834 VanDerWaalsContact C-N 3.33Å; D832-E834 PolarHBondContact O-N 2.69Å; D832-Q836 VanDerWaalsContact O-CB 3.29Å; D832-Q836 WeakPolarHBondContact O-CB 3.39Å; D832-Q836 PolarHBondContact O-N 2.86Å
833	I	64.4	Low	57.8	Low	15 Å²	15	89.7 Å²	89.7	8%	0.077	49%	0.488	C	S	.	.	H	α-helix	trans	-68.6	-32.1	179.6	-61.1	171.3	0	0	0	111.4	G829 L831 I837 K1048 I1052 Q1055	G829-I833 WeakPolarHBondContact O-CD1 3.16Å; G829-I833 WeakPolarHBondContact O-CG1 3.18Å; L831-I833 PolarHBondContact O-N 2.69Å; I833-I837 HydrophobicContact CG2-CD1 3.82Å; I833-I837 HydrophobicContact CG2-CG1 4.42Å; I833-I837 WeakPolarHBondContact O-CB 3.49Å; I833-I837 WeakPolarHBondContact O-CD1 3.42Å; I833-I837 WeakPolarHBondContact O-CG1 3.33Å; I833-I837 PolarHBondContact O-N 2.84Å; I833-K1048 HydrophobicContact CG2-CG 4.16Å; I833-I1052 HydrophobicContact CD1-CG1 3.75Å; I833-Q1055 VanDerWaalsContact CD1-OE1 3.29Å
834	E	64.6	Low	59	Low	81 Å²	81	88 Å²	88	38%	0.379	47%	0.474	S	S	.	.	H	α-helix	trans	-71	-47.2	179.2	-159.3	126.1	-104	0	0	111.1	A830 L831 D832 Q836 I837 E838 K1048	A830-E834 PolarHBondContact O-N 2.82Å; L831-E834 WeakPolarHBondContact O-CB 3.4Å; L831-E834 PolarHBondContact O-N 2.71Å; D832-E834 VanDerWaalsContact C-N 3.33Å; D832-E834 PolarHBondContact O-N 2.69Å; E834-Q836 VanDerWaalsContact C-N 3.3Å; E834-Q836 PolarHBondContact O-N 2.75Å; E834-I837 PolarHBondContact O-N 2.76Å; E834-E838 PolarHBondContact O-N 2.78Å; E834-K1048 VanDerWaalsContact OE1-CD 3.32Å; E834-K1048 WeakPolarHBondContact OE1-CD 3.23Å; E834-K1048 WeakPolarHBondContact OE1-CE 3.43Å; E834-K1048 IonicContact OE1-NZ 3.41Å; E834-K1048 PolarHBondContact OE1-NZ 2.9Å; E834-K1048 IonicContact OE2-NZ 3.77Å; E834-K1048 PolarHBondContact OE2-NZ 2.9Å
835	E	67.3	Low	60.4	Low	146 Å²	146	88.4 Å²	88.4	68%	0.682	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-34.8	174	-169.6	171.8	175.9	0	0	111.4	L831 S839	L831-E835 PolarHBondContact O-N 3.49Å; L831-E835 VanDerWaalsContact O-N 3.09Å; E835-S839 VanDerWaalsContact O-CB 3.31Å; E835-S839 WeakPolarHBondContact O-CB 3.42Å; E835-S839 PolarHBondContact O-N 3.1Å; E835-S839 PolarHBondContact O-OG 3.45Å
836	Q	69.6	Low	61.6	Low	108 Å²	108	88.6 Å²	88.6	51%	0.505	46%	0.456	S	S	.	.	H	α-helix	trans	-66.3	-38.6	172.6	-157.6	-165.8	1.2	0	0	112.6	D832 E834 S839 M840	D832-Q836 VanDerWaalsContact O-CB 3.29Å; D832-Q836 WeakPolarHBondContact O-CB 3.39Å; D832-Q836 PolarHBondContact O-N 2.86Å; E834-Q836 VanDerWaalsContact C-N 3.3Å; E834-Q836 PolarHBondContact O-N 2.75Å; Q836-S839 WeakPolarHBondContact CA-OG 3.17Å; Q836-S839 PolarHBondContact O-OG 3.24Å; Q836-M840 HydrophobicContact CG-CE 4.09Å; Q836-M840 WeakPolarHBondContact O-CB 3.49Å; Q836-M840 VanDerWaalsContact O-CE 3.31Å; Q836-M840 WeakPolarHBondContact O-CE 3.16Å; Q836-M840 VanDerWaalsContact O-CG 3.29Å; Q836-M840 WeakPolarHBondContact O-CG 3.22Å; Q836-M840 PolarHBondContact O-N 2.92Å
837	I	71.5	Confident	62.5	Low	0 Å²	0	87 Å²	87	0%	0	45%	0.45	C	S	.	.	H	α-helix	trans	-70.4	-43.9	177.2	-70.2	161.6	0	0	0	110.7	I833 E834 M840 F841 F979 T1044 I1047 K1048 L1051	I833-I837 HydrophobicContact CG2-CD1 3.82Å; I833-I837 HydrophobicContact CG2-CG1 4.42Å; I833-I837 WeakPolarHBondContact O-CB 3.49Å; I833-I837 WeakPolarHBondContact O-CD1 3.42Å; I833-I837 WeakPolarHBondContact O-CG1 3.33Å; I833-I837 PolarHBondContact O-N 2.84Å; E834-I837 PolarHBondContact O-N 2.76Å; I837-M840 PolarHBondContact O-N 2.8Å; I837-F841 HydrophobicContact CG2-CD2 3.63Å; I837-F841 HydrophobicContact CG2-CE2 3.43Å; I837-F841 VanDerWaalsContact CG2-CE2 3.43Å; I837-F841 HydrophobicContact CG2-CZ 4.5Å; I837-F841 WeakPolarHBondContact O-CD2 3.4Å; I837-F841 PolarHBondContact O-N 3.25Å; I837-F841 VanDerWaalsContact O-N 3.1Å; I837-F979 HydrophobicContact CG1-CE1 4.35Å; I837-F979 HydrophobicContact CG2-CE1 4.18Å; I837-F979 HydrophobicContact CG2-CZ 4.25Å; I837-T1044 HydrophobicContact CG2-CG2 3.94Å; I837-I1047 HydrophobicContact CD1-CG2 4.4Å; I837-I1047 HydrophobicContact CG1-CG2 4.37Å; I837-K1048 HydrophobicContact CD1-CB 3.63Å; I837-K1048 HydrophobicContact CD1-CG 3.85Å; I837-L1051 HydrophobicContact CD1-CD1 3.83Å; I837-L1051 HydrophobicContact CG1-CD1 3.61Å
838	E	69.2	Low	63.1	Low	147 Å²	147	85.3 Å²	85.3	69%	0.687	44%	0.44	S	S	*	.	H	α-helix	trans	-66.3	-40.4	179.7	-171.6	158.6	-134.6	0	0	111.9	E834 M840 F841	E834-E838 PolarHBondContact O-N 2.78Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.89Å; E838-F841 PolarHBondContact O-N 3.49Å; E838-F841 VanDerWaalsContact O-N 3.11Å
839	S	68.1	Low	63.3	Low	96 Å²	96	82.3 Å²	82.3	67%	0.671	42%	0.424	S	S	*	.	H	α-helix	trans	-68.4	-21.2	173.6	58	0	0	0	0	114.4	E835 Q836	E835-S839 VanDerWaalsContact O-CB 3.31Å; E835-S839 WeakPolarHBondContact O-CB 3.42Å; E835-S839 PolarHBondContact O-N 3.1Å; E835-S839 PolarHBondContact O-OG 3.45Å; Q836-S839 WeakPolarHBondContact CA-OG 3.17Å; Q836-S839 PolarHBondContact O-OG 3.24Å
840	M	68.5	Low	63.1	Low	63 Å²	63	85.7 Å²	85.7	31%	0.31	43%	0.432	S	S	.	.	H	α-helix	trans	-83.7	-18.1	169.7	-73.8	-171.6	-66.4	0	0	113.7	Q836 I837 E838 N842 F979	Q836-M840 HydrophobicContact CG-CE 4.09Å; Q836-M840 WeakPolarHBondContact O-CB 3.49Å; Q836-M840 VanDerWaalsContact O-CE 3.31Å; Q836-M840 WeakPolarHBondContact O-CE 3.16Å; Q836-M840 VanDerWaalsContact O-CG 3.29Å; Q836-M840 WeakPolarHBondContact O-CG 3.22Å; Q836-M840 PolarHBondContact O-N 2.92Å; I837-M840 PolarHBondContact O-N 2.8Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.89Å; M840-N842 PolarHBondContact O-N 3.09Å; M840-F979 HydrophobicContact CB-CE1 4.1Å; M840-F979 HydrophobicContact CB-CE2 4.36Å; M840-F979 HydrophobicContact CB-CZ 3.79Å; M840-F979 HydrophobicContact CE-CD1 3.97Å; M840-F979 HydrophobicContact CE-CE1 3.62Å; M840-F979 HydrophobicContact CE-CZ 4.45Å; M840-F979 HydrophobicContact SD-CE1 4.42Å
841	F	73.9	Confident	62.4	Low	17 Å²	17	89.8 Å²	89.8	8%	0.075	46%	0.459	C	S	.	.			trans	-85.3	93.7	179.4	-88	-53.6	0	0	0	112.7	I837 E838 S843 L974 I976 F979 I1043 T1044 I1047	I837-F841 HydrophobicContact CG2-CD2 3.63Å; I837-F841 HydrophobicContact CG2-CE2 3.43Å; I837-F841 VanDerWaalsContact CG2-CE2 3.43Å; I837-F841 HydrophobicContact CG2-CZ 4.5Å; I837-F841 WeakPolarHBondContact O-CD2 3.4Å; I837-F841 PolarHBondContact O-N 3.25Å; I837-F841 VanDerWaalsContact O-N 3.1Å; E838-F841 PolarHBondContact O-N 3.49Å; E838-F841 VanDerWaalsContact O-N 3.11Å; F841-S843 PolarHBondContact O-N 3.35Å; F841-L974 HydrophobicContact CD1-CB 4.46Å; F841-L974 HydrophobicContact CD1-CD2 4.27Å; F841-L974 HydrophobicContact CE1-CB 4.26Å; F841-L974 HydrophobicContact CE1-CD1 4.41Å; F841-I976 HydrophobicContact CE1-CG2 4.41Å; F841-F979 AromaticContact CD1-CE2 3.94Å; F841-F979 HydrophobicContact CD1-CE2 3.94Å; F841-F979 HydrophobicContact CD1-CZ 4.11Å; F841-F979 HydrophobicContact CD2-CZ 4.22Å; F841-F979 AromaticContact CE1-CE2 3.84Å; F841-F979 HydrophobicContact CE1-CE2 3.84Å; F841-F979 HydrophobicContact CE1-CZ 4.07Å; F841-F979 HydrophobicContact CE2-CZ 4.19Å; F841-F979 HydrophobicContact CG-CE2 4.45Å; F841-F979 HydrophobicContact CG-CZ 4.2Å; F841-F979 HydrophobicContact CZ-CE2 4.3Å; F841-F979 HydrophobicContact CZ-CZ 4.13Å; F841-I1043 HydrophobicContact CZ-CG2 4.32Å; F841-T1044 HydrophobicContact CE2-CG2 4.34Å; F841-T1044 WeakPolarHBondContact CE2-OG1 3.44Å; F841-I1047 HydrophobicContact CE1-CD1 4.31Å; F841-I1047 HydrophobicContact CZ-CD1 3.79Å
842	N	64.3	Low	61.5	Low	88 Å²	88	88.5 Å²	88.5	47%	0.471	47%	0.465	S	S	.	.			trans	-74.6	61.1	170.6	-165.8	-8	0	0	0	112.1	M840 K844	M840-N842 PolarHBondContact O-N 3.09Å; N842-K844 PolarHBondContact O-N 3.42Å
843	S	62.9	Low	60.3	Low	44 Å²	44	89.1 Å²	89.1	31%	0.308	48%	0.476	S	S	.	.			trans	-73.8	122	-172	62.3	0	0	0	0	112.8	F841 E972 E973 K1040	F841-S843 PolarHBondContact O-N 3.35Å; S843-E972 WeakPolarHBondContact CB-OE1 3.34Å; S843-E973 WeakPolarHBondContact CA-O 3.2Å; S843-K1040 PolarHBondContact OG-NZ 2.95Å
844	K	64.9	Low	58.6	Low	101 Å²	101	91.5 Å²	91.5	44%	0.439	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	97.7	179.2	-73.3	168.6	-174	159.1	0	110.8	N842 E973	N842-K844 PolarHBondContact O-N 3.42Å; K844-E973 HydrophobicContact CB-CB 4.33Å; K844-E973 PolarHBondContact N-O 2.95Å; K844-E973 PolarHBondContact O-N 3.05Å
845	K	70.4	Confident	56.8	Low	98 Å²	98	93.1 Å²	93.1	43%	0.426	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.9	174.9	-171.2	175.1	-177.3	178.6	0	110.8	E972 E1033	K845-E972 HydrophobicContact CB-CG 4.3Å; K845-E1033 IonicContact NZ-OE1 3.53Å; K845-E1033 PolarHBondContact NZ-OE1 3.02Å
846	R	65.9	Low	55	Low	126 Å²	126	90.6 Å²	90.6	48%	0.475	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	124	175.3	-51.8	-173.6	-161.9	-149.1	11.6	109	E971 E973	R846-E971 PolarHBondContact N-O 3.18Å; R846-E971 PolarHBondContact O-N 3.02Å; R846-E973 IonicContact CZ-OE2 3.44Å; R846-E973 IonicContact NE-OE2 3.35Å; R846-E973 PolarHBondContact NE-OE2 3.48Å; R846-E973 IonicContact NH2-OE1 3.58Å; R846-E973 IonicContact NH2-OE2 2.7Å; R846-E973 PolarHBondContact NH2-OE2 2.9Å
847	V	65	Low	53.1	Low	74 Å²	74	92.6 Å²	92.6	45%	0.448	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	129.5	165.8	-174.2	0	0	0	0	107	K968 Y970	V847-K968 HydrophobicContact CG1-CB 4.35Å; V847-K968 HydrophobicContact CG1-CD 4.43Å; V847-Y970 HydrophobicContact CG1-CE1 4.33Å; V847-Y970 HydrophobicContact CG2-CD1 3.85Å; V847-Y970 HydrophobicContact CG2-CE1 3.82Å
848	K	58.8	Low	51	Low	122 Å²	122	95.9 Å²	95.9	53%	0.53	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.5	97.2	-178.6	-161.7	176.1	-172.1	179.1	0	109.3	L850 R969	K848-L850 PolarHBondContact O-N 3.43Å; K848-R969 PolarHBondContact N-O 3.4Å; K848-R969 PolarHBondContact O-N 2.88Å
849	D	48.4	Very low	49.8	Very low	90 Å²	90	95 Å²	95	48%	0.481	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.2	124.4	169	-61.5	-40.8	0	0	0	108.2	K968	D849-K968 WeakPolarHBondContact OD1-CD 3.46Å; D849-K968 WeakPolarHBondContact OD1-CE 3.44Å; D849-K968 VanDerWaalsContact OD1-CG 3.27Å; D849-K968 WeakPolarHBondContact OD1-CG 3.46Å; D849-K968 IonicContact OD1-NZ 3.53Å; D849-K968 IonicContact OD2-NZ 3.91Å
850	L	46.6	Very low	47.8	Very low	112 Å²	112	95.3 Å²	95.3	59%	0.586	61%	0.605	S	S	*	*			trans	-108	100.2	-179.2	-78.8	167.8	0	0	0	109.9	K848	K848-L850 PolarHBondContact O-N 3.43Å
851	S	36.4	Very low	45.7	Very low	114 Å²	114	96 Å²	96	80%	0.797	63%	0.628	S	S	*	*			trans	-78.1	149	162	51.1	0	0	0	0	110.7
852	A	31	Very low	43.5	Very low	89 Å²	89	99.3 Å²	99.3	74%	0.736	66%	0.659	S	S	*	*			trans	-66.6	147.9	172.8	0	0	0	0	0	110.9	G854	A852-G854 PolarHBondContact O-N 3.23Å; A852-G854 VanDerWaalsContact O-N 3.1Å
853	P	34.5	Very low	41.7	Very low	140 Å²	140	101.2 Å²	101.2	91%	0.909	67%	0.673	S	S	*	*			trans	-72.1	106.6	-175.2	28.4	-34.5	0	0	0	111.8
854	G	28.6	Very low	39.9	Very low	66 Å²	66	105 Å²	105	68%	0.68	70%	0.695	S	S	*	*			trans	-145.2	118.9	179	0	0	0	0	0	113.3	A852	A852-G854 PolarHBondContact O-N 3.23Å; A852-G854 VanDerWaalsContact O-N 3.1Å
855	A	26.7	Very low	38	Very low	114 Å²	114	105 Å²	105	94%	0.942	71%	0.714	S	S	*	*			trans	60.7	143.8	175.6	0	0	0	0	0	117.3
856	A	30.2	Very low	35.9	Very low	93 Å²	93	105 Å²	105	77%	0.769	73%	0.731	S	S	*	*			trans	-125.2	148.4	-179.1	0	0	0	0	0	110.9
857	T	29	Very low	33.9	Very low	151 Å²	151	104 Å²	104	93%	0.926	75%	0.75	S	S	*	*			trans	-173.8	147.1	135.8	23.7	0	0	0	0	110.7
858	G	27	Very low	32	Very low	69 Å²	69	104.9 Å²	104.9	71%	0.711	77%	0.765	S	S	*	*			trans	-114.7	-154.7	162.4	0	0	0	0	0	110.2
859	P	44.2	Very low	30.4	Very low	127 Å²	127	103.6 Å²	103.6	83%	0.825	78%	0.778	S	S	*	*			cis	-137.1	-164.1	1.1	43	-24.7	0	0	0	114.4
860	A	26.4	Very low	30.2	Very low	104 Å²	104	105.6 Å²	105.6	86%	0.86	80%	0.795	S	S	*	*			trans	68.8	152.7	174.1	0	0	0	0	0	116.4
861	G	25.5	Very low	29.2	Very low	76 Å²	76	104.2 Å²	104.2	78%	0.784	81%	0.808	S	S	*	*			cis	115.6	137.2	4.6	0	0	0	0	0	111.7
862	A	26.5	Very low	28.6	Very low	88 Å²	88	102.4 Å²	102.4	73%	0.727	81%	0.808	S	S	*	*			cis	-164.3	-167.8	-3.1	0	0	0	0	0	110.6
863	V	26.9	Very low	29	Very low	128 Å²	128	104.3 Å²	104.3	78%	0.776	81%	0.813	S	S	*	*			trans	65.7	118.9	155.2	-64.8	0	0	0	0	123.8
864	T	24.5	Very low	28.6	Very low	124 Å²	124	102.5 Å²	102.5	76%	0.761	81%	0.809	S	S	*	*			trans	53.4	106.5	133.7	63.9	0	0	0	0	123.9
865	A	26.3	Very low	28.5	Very low	101 Å²	101	102.8 Å²	102.8	84%	0.835	81%	0.812	S	S	*	*				53.9	153.5	104.1	0	0	0	0	0	124.4
866	A	25.1	Very low	28.4	Very low	97 Å²	97	106.3 Å²	106.3	80%	0.802	81%	0.814	S	S	*	*			trans	101.4	90.8	149.6	0	0	0	0	0	121.8
867	A	25.2	Very low	28.8	Very low	104 Å²	104	110.5 Å²	110.5	86%	0.86	82%	0.82	S	S	*	*				72.2	147	115.2	0	0	0	0	0	125
868	A	25	Very low	29.6	Very low	94 Å²	94	109.1 Å²	109.1	78%	0.777	81%	0.814	S	S	*	*			trans	90.2	90.2	141.2	0	0	0	0	0	123.3
869	A	24.9	Very low	29.9	Very low	95 Å²	95	109.3 Å²	109.3	79%	0.785	82%	0.816	S	S	*	*				71.5	179.8	115.2	0	0	0	0	0	119.9
870	P	44.4	Very low	29.7	Very low	131 Å²	131	109.1 Å²	109.1	85%	0.851	82%	0.818	S	S	*	*				-137.7	172.7	-68.2	40.8	-26.8	0	0	0	116
871	G	24.8	Very low	30	Very low	84 Å²	84	108.3 Å²	108.3	87%	0.866	81%	0.811	S	S	*	*			trans	127.2	127	144.2	0	0	0	0	0	118.6
872	G	24.3	Very low	30.7	Very low	76 Å²	76	108.2 Å²	108.2	78%	0.784	81%	0.809	S	S	*	*			trans	165.4	131.9	172.7	0	0	0	0	0	112.8
873	P	38.7	Very low	31.7	Very low	129 Å²	129	110.6 Å²	110.6	84%	0.838	81%	0.81	S	S	*	*			trans	-114.7	162.6	-166.3	40.8	-34	0	0	0	117.5
874	A	25.3	Very low	32.5	Very low	101 Å²	101	110.7 Å²	110.7	84%	0.835	81%	0.806	S	S	*	*			trans	70.5	111.8	152.8	0	0	0	0	0	121.6
875	G	26.7	Very low	33.7	Very low	72 Å²	72	112.6 Å²	112.6	74%	0.742	81%	0.807	S	S	*	*				98.4	123.5	126.1	0	0	0	0	0	120.8
876	L	26.4	Very low	34.8	Very low	188 Å²	188	116.8 Å²	116.8	98%	0.984	81%	0.806	S	S	*	*			trans	78.5	150	153.7	-65.8	157.3	0	0	0	120.6
877	M	36.8	Very low	36.1	Very low	181 Å²	181	117.1 Å²	117.1	89%	0.892	79%	0.794	S	S	*	*			trans	-92.9	-176.7	177.6	-71.2	-89	-163.5	0	0	110
878	P	46.3	Very low	37.6	Very low	122 Å²	122	119 Å²	119	79%	0.792	79%	0.785	S	S	*	*			cis	-149.2	176.2	14.4	44.6	-24.9	0	0	0	119.7
879	G	34.7	Very low	39	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	78%	0.781	S	S	*	*			trans	80.3	167.8	141.2	0	0	0	0	0	119
880	S	37.9	Very low	40.5	Very low	123 Å²	123	119.6 Å²	119.6	86%	0.86	77%	0.767	S	S	*	*			cis	-167.9	178.4	-9.5	70.8	0	0	0	0	109.1
881	A	34.1	Very low	41.1	Very low	87 Å²	87	119.6 Å²	119.6	72%	0.719	75%	0.754	S	S	*	*			cis	-149.3	-73.7	2.1	0	0	0	0	0	112.2	N883	A881-N883 PolarHBondContact O-N 3.07Å
882	G	39	Very low	42.5	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	75%	0.749	S	S	*	*	S	Bend	trans	72.3	-68.7	165.7	0	0	0	0	0	118.9	N884	G882-N884 PolarHBondContact O-N 2.9Å
883	N	48.5	Very low	43.8	Very low	139 Å²	139	126.9 Å²	126.9	74%	0.743	74%	0.739	S	S	*	*	S	Bend	trans	-86.5	-10	-154.7	-77.3	-19.7	0	0	0	116.7	A881 Q885	A881-N883 PolarHBondContact O-N 3.07Å; N883-Q885 PolarHBondContact O-N 3.35Å
884	N	43.3	Very low	44.4	Very low	129 Å²	129	123.7 Å²	123.7	69%	0.69	72%	0.723	S	S	*	*	H	α-helix	trans	-69.1	-35.6	-168.8	-76.5	-2.2	0	0	0	114.7	G882 K886 E888	G882-N884 PolarHBondContact O-N 2.9Å; N884-K886 PolarHBondContact O-N 3Å; N884-E888 PolarHBondContact O-N 3.23Å
885	Q	49.5	Very low	45.6	Very low	165 Å²	165	124.9 Å²	124.9	77%	0.771	72%	0.715	S	S	*	*	H	α-helix	trans	-72.2	-30.6	-171.8	-70.4	-178.8	-13.1	0	0	114.2	N883	N883-Q885 PolarHBondContact O-N 3.35Å
886	K	50.2	Low	46.3	Very low	189 Å²	189	128.1 Å²	128.1	82%	0.822	71%	0.709	S	S	*	*	H	α-helix	trans	-78.4	-37.4	177.4	-70.5	-175.3	177.2	-179.7	0	112.2	N884 A890	N884-K886 PolarHBondContact O-N 3Å; K886-A890 PolarHBondContact O-N 3.06Å
887	L	52.3	Low	47.5	Very low	104 Å²	104	125.8 Å²	125.8	55%	0.545	70%	0.696	S	S	.	*	H	α-helix	trans	-67.3	-36.9	-179.7	-168.8	70.3	0	0	0	112.4	K891	L887-K891 WeakPolarHBondContact O-CG 3.31Å; L887-K891 PolarHBondContact O-N 2.69Å
888	E	55.9	Low	47.9	Very low	143 Å²	143	124.3 Å²	124.3	67%	0.668	69%	0.692	S	S	*	*	H	α-helix	trans	-71.7	-38.5	-179.4	-168.7	167	-138.6	0	0	112.5	N884 K891 R892	N884-E888 PolarHBondContact O-N 3.23Å; E888-K891 PolarHBondContact O-N 3.46Å; E888-R892 PolarHBondContact O-N 3.3Å; E888-R892 VanDerWaalsContact O-N 3.09Å
889	M	54	Low	47.7	Very low	140 Å²	140	122.2 Å²	122.2	69%	0.69	69%	0.685	S	S	*	*	H	α-helix	trans	-64.9	-41.1	176.6	-164	-179.1	-63.6	0	0	112.1	R892 L893	M889-R892 PolarHBondContact O-N 2.91Å; M889-L893 PolarHBondContact O-N 3.04Å; M889-L893 VanDerWaalsContact O-N 3.12Å
890	A	57.4	Low	48.1	Very low	61 Å²	61	126 Å²	126	50%	0.504	68%	0.683	S	S	.	*	H	α-helix	trans	-62.2	-45.9	176.2	0	0	0	0	0	112.3	K886 R892 L893 A894	K886-A890 PolarHBondContact O-N 3.06Å; A890-R892 VanDerWaalsContact C-N 3.3Å; A890-R892 PolarHBondContact O-N 3.23Å; A890-L893 PolarHBondContact O-N 2.91Å; A890-L893 VanDerWaalsContact O-N 3.17Å; A890-A894 PolarHBondContact O-N 2.95Å
891	K	57.2	Low	48.6	Very low	132 Å²	132	130.1 Å²	130.1	57%	0.574	69%	0.685	S	S	*	*	H	α-helix	trans	-60	-38.9	175.9	-73.7	177.4	176.9	-178.2	0	112.3	L887 E888 L893 A894 L895	L887-K891 WeakPolarHBondContact O-CG 3.31Å; L887-K891 PolarHBondContact O-N 2.69Å; E888-K891 PolarHBondContact O-N 3.46Å; K891-L893 VanDerWaalsContact C-N 3.32Å; K891-L893 PolarHBondContact O-N 3.14Å; K891-A894 PolarHBondContact O-N 3.28Å; K891-L895 WeakPolarHBondContact O-CG 3.42Å; K891-L895 PolarHBondContact O-N 2.84Å; K891-L895 VanDerWaalsContact O-N 3.11Å
892	R	53.6	Low	48.3	Very low	204 Å²	204	133.2 Å²	133.2	77%	0.77	69%	0.689	S	S	*	*	H	α-helix	trans	-70.8	-24.7	178.5	-158.7	171.2	-171.5	166.7	2.1	113.5	E888 M889 A890	E888-R892 PolarHBondContact O-N 3.3Å; E888-R892 VanDerWaalsContact O-N 3.09Å; M889-R892 PolarHBondContact O-N 2.91Å; A890-R892 VanDerWaalsContact C-N 3.3Å; A890-R892 PolarHBondContact O-N 3.23Å
893	L	52.7	Low	48.1	Very low	109 Å²	109	138 Å²	138	57%	0.571	70%	0.696	S	S	*	*	H	α-helix	trans	-78	-44.9	172.8	-116.2	167.3	0	0	0	111.9	M889 A890 K891 L895 K896 I897	M889-L893 PolarHBondContact O-N 3.04Å; M889-L893 VanDerWaalsContact O-N 3.12Å; A890-L893 PolarHBondContact O-N 2.91Å; A890-L893 VanDerWaalsContact O-N 3.17Å; K891-L893 VanDerWaalsContact C-N 3.32Å; K891-L893 PolarHBondContact O-N 3.14Å; L893-L895 VanDerWaalsContact C-N 3.35Å; L893-L895 PolarHBondContact O-N 2.86Å; L893-K896 WeakPolarHBondContact O-CB 3.38Å; L893-K896 PolarHBondContact O-N 3.03Å; L893-I897 PolarHBondContact O-N 2.92Å
894	A	51.2	Low	47.1	Very low	61 Å²	61	134.6 Å²	134.6	50%	0.504	69%	0.694	S	S	.	*	H	α-helix	trans	-58.7	-44.3	175.9	0	0	0	0	0	112.3	A890 K891 K896 I897 N898	A890-A894 PolarHBondContact O-N 2.95Å; K891-A894 PolarHBondContact O-N 3.28Å; A894-K896 PolarHBondContact O-N 3.31Å; A894-I897 PolarHBondContact O-N 3.31Å; A894-N898 PolarHBondContact O-N 3.36Å
895	L	49	Very low	46.4	Very low	126 Å²	126	133.1 Å²	133.1	66%	0.66	70%	0.7	S	S	*	*	H	α-helix	trans	-62.8	-20.1	174.1	-78.2	167.3	0	0	0	114	K891 L893 A899	K891-L895 WeakPolarHBondContact O-CG 3.42Å; K891-L895 PolarHBondContact O-N 2.84Å; K891-L895 VanDerWaalsContact O-N 3.11Å; L893-L895 VanDerWaalsContact C-N 3.35Å; L893-L895 PolarHBondContact O-N 2.86Å; L895-A899 VanDerWaalsContact O-CB 3.31Å; L895-A899 WeakPolarHBondContact O-CB 3.25Å
896	K	42.5	Very low	45.8	Very low	141 Å²	141	134.7 Å²	134.7	61%	0.613	71%	0.707	S	S	*	*	H	α-helix	trans	-86.1	-32	178.9	-159	176	-175.9	-175.6	0	112.5	L893 A894	L893-K896 WeakPolarHBondContact O-CB 3.38Å; L893-K896 PolarHBondContact O-N 3.03Å; A894-K896 PolarHBondContact O-N 3.31Å
897	I	51.8	Low	45.1	Very low	138 Å²	138	130.6 Å²	130.6	71%	0.708	71%	0.709	S	S	*	*	H	α-helix	trans	-68.7	-46.1	172.5	-64.1	173.3	0	0	0	109.7	L893 A894 A899	L893-I897 PolarHBondContact O-N 2.92Å; A894-I897 PolarHBondContact O-N 3.31Å; I897-A899 PolarHBondContact O-N 3.13Å
898	N	44.1	Very low	44.4	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	11.5	-175	-151.3	36.4	0	0	0	114.9	A894	A894-N898 PolarHBondContact O-N 3.36Å
899	A	43.3	Very low	43.6	Very low	78 Å²	78	129.5 Å²	129.5	65%	0.645	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	1.3	-173.3	0	0	0	0	0	114.6	L895 I897	L895-A899 VanDerWaalsContact O-CB 3.31Å; L895-A899 WeakPolarHBondContact O-CB 3.25Å; I897-A899 PolarHBondContact O-N 3.13Å
900	Q	43.4	Very low	43.2	Very low	154 Å²	154	128.2 Å²	128.2	72%	0.72	70%	0.704	S	S	*	*	S	Bend	trans	-125	5.6	-168.4	-138.1	175.9	-6.6	0	0	117.1
901	K	46.5	Very low	42.6	Very low	209 Å²	209	131.9 Å²	131.9	91%	0.909	71%	0.713	S	S	*	*			trans	-136.1	128.1	152.1	-73.3	-165.3	175.9	-176	0	109.4
902	N	29.5	Very low	42.2	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	71%	0.708	S	S	*	*			trans	-132.7	167.2	-174.5	-169.3	7.1	0	0	0	107.8
903	L	34.5	Very low	42	Very low	173 Å²	173	126.9 Å²	126.9	91%	0.906	70%	0.7	S	S	*	*			trans	74	137.6	-165.9	-47.2	155.7	0	0	0	112.8
904	G	28	Very low	41.8	Very low	68 Å²	68	124.3 Å²	124.3	70%	0.701	69%	0.694	S	S	*	*			cis	153.8	130.1	-10.9	0	0	0	0	0	113.3
905	A	28.5	Very low	41.7	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	69%	0.69	S	S	*	*			trans	61.5	141.3	170.4	0	0	0	0	0	119
906	E	35.3	Very low	41.8	Very low	198 Å²	198	123 Å²	123	93%	0.925	68%	0.682	S	S	*	*			trans	47.3	99.2	158.5	-63.6	-179.4	-179.7	0	0	119.6
907	A	36.1	Very low	42.2	Very low	104 Å²	104	118.3 Å²	118.3	86%	0.86	67%	0.669	S	S	*	*			trans	-141.4	128.3	149.7	0	0	0	0	0	108.4
908	Q	37.6	Very low	42.3	Very low	124 Å²	124	118.1 Å²	118.1	58%	0.579	67%	0.668	S	S	*	*			trans	-80.6	156.7	-169.7	-65	178.5	-85.9	0	0	113.4	Q912	Q908-Q912 HydrophobicContact CB-CB 4.49Å
909	D	39.9	Very low	42.7	Very low	100 Å²	100	117.7 Å²	117.7	54%	0.535	67%	0.665	S	S	.	*			trans	-65.5	144.7	165.7	-177	20.1	0	0	0	110.9	M911 Q912	D909-M911 PolarHBondContact O-N 2.96Å; D909-M911 VanDerWaalsContact O-N 3.15Å; D909-M911 WeakPolarHBondContact OD2-CB 3.36Å; D909-Q912 PolarHBondContact O-N 3.07Å
910	V	45.6	Very low	43.3	Very low	112 Å²	112	124.3 Å²	124.3	68%	0.679	67%	0.674	S	S	*	*	H	α-helix	trans	-58.3	-30.2	-179	-179	0	0	0	0	111.1	Q912 Q913 A914	V910-Q912 VanDerWaalsContact C-N 3.26Å; V910-Q912 PolarHBondContact O-N 3.15Å; V910-Q913 PolarHBondContact O-N 3.35Å; V910-A914 PolarHBondContact O-N 3.43Å
911	M	44.1	Very low	43.5	Very low	139 Å²	139	120.1 Å²	120.1	69%	0.685	67%	0.672	S	S	*	*	H	α-helix	trans	-62.2	-29.8	176.2	-157.6	167.7	-65.8	0	0	113.2	D909 T915	D909-M911 PolarHBondContact O-N 2.96Å; D909-M911 VanDerWaalsContact O-N 3.15Å; D909-M911 WeakPolarHBondContact OD2-CB 3.36Å; M911-T915 PolarHBondContact O-N 3.45Å; M911-T915 PolarHBondContact O-OG1 3.34Å
912	Q	48.7	Very low	43.3	Very low	100 Å²	100	116.1 Å²	116.1	47%	0.467	66%	0.66	S	S	.	*	H	α-helix	trans	-79.6	-21	176.9	-68.2	-170.7	-18	0	0	113.7	Q908 D909 V910 T915 N916	Q908-Q912 HydrophobicContact CB-CB 4.49Å; D909-Q912 PolarHBondContact O-N 3.07Å; V910-Q912 VanDerWaalsContact C-N 3.26Å; V910-Q912 PolarHBondContact O-N 3.15Å; Q912-T915 PolarHBondContact O-OG1 3.01Å; Q912-N916 PolarHBondContact O-N 2.85Å; Q912-N916 PolarHBondContact O-ND2 2.81Å
913	Q	50.6	Low	43.9	Very low	131 Å²	131	114.8 Å²	114.8	61%	0.612	66%	0.66	S	S	*	*	H	α-helix	trans	-77.5	-35.7	170.7	-70.8	-170.8	-19	0	0	111.3	V910 N916 A917	V910-Q913 PolarHBondContact O-N 3.35Å; Q913-N916 PolarHBondContact O-N 3.31Å; Q913-A917 PolarHBondContact O-N 2.88Å
914	A	48.3	Very low	44.1	Very low	54 Å²	54	113.6 Å²	113.6	45%	0.446	65%	0.653	S	S	.	*	H	α-helix	trans	-62.2	-44.7	175.1	0	0	0	0	0	112.4	V910 A917 I918	V910-A914 PolarHBondContact O-N 3.43Å; A914-A917 PolarHBondContact O-N 3.2Å; A914-I918 WeakPolarHBondContact O-CG1 3.4Å; A914-I918 PolarHBondContact O-N 2.98Å
915	T	49.5	Very low	44.4	Very low	69 Å²	69	118.7 Å²	118.7	42%	0.423	66%	0.66	S	S	.	*	H	α-helix	trans	-67.2	-36	177.6	46.3	0	0	0	0	113.1	M911 Q912 A917 I918 L919	M911-T915 PolarHBondContact O-N 3.45Å; M911-T915 PolarHBondContact O-OG1 3.34Å; Q912-T915 PolarHBondContact O-OG1 3.01Å; T915-A917 VanDerWaalsContact C-N 3.32Å; T915-A917 PolarHBondContact O-N 2.94Å; T915-I918 PolarHBondContact O-N 3.09Å; T915-L919 WeakPolarHBondContact O-CB 3.24Å; T915-L919 PolarHBondContact O-N 3.31Å
916	N	49.6	Very low	44.7	Very low	92 Å²	92	120 Å²	120	49%	0.492	66%	0.659	S	S	.	*	H	α-helix	trans	-67.2	-28.5	175.5	-88.3	-78.9	0	0	0	113.8	Q912 Q913	Q912-N916 PolarHBondContact O-N 2.85Å; Q912-N916 PolarHBondContact O-ND2 2.81Å; Q913-N916 PolarHBondContact O-N 3.31Å
917	A	51.5	Low	44.9	Very low	41 Å²	41	116.8 Å²	116.8	34%	0.339	66%	0.655	S	S	.	*	H	α-helix	trans	-70.4	-45.3	171	0	0	0	0	0	111.3	Q913 A914 T915 L919 R920 G921	Q913-A917 PolarHBondContact O-N 2.88Å; A914-A917 PolarHBondContact O-N 3.2Å; T915-A917 VanDerWaalsContact C-N 3.32Å; T915-A917 PolarHBondContact O-N 2.94Å; A917-L919 VanDerWaalsContact C-N 3.31Å; A917-L919 PolarHBondContact O-N 2.86Å; A917-R920 PolarHBondContact O-N 3.22Å; A917-R920 VanDerWaalsContact O-N 3.09Å; A917-G921 PolarHBondContact O-N 2.77Å
918	I	53.5	Low	45.1	Very low	134 Å²	134	117.5 Å²	117.5	69%	0.687	65%	0.654	S	S	*	*	H	α-helix	trans	-61.1	-39.4	178.4	-66.4	165.5	0	0	0	111.4	A914 T915 R920 G921	A914-I918 WeakPolarHBondContact O-CG1 3.4Å; A914-I918 PolarHBondContact O-N 2.98Å; T915-I918 PolarHBondContact O-N 3.09Å; I918-R920 PolarHBondContact O-N 3.24Å; I918-G921 PolarHBondContact O-N 3.3Å
919	L	52.9	Low	45.8	Very low	142 Å²	142	116.9 Å²	116.9	74%	0.743	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-10.7	176.4	-94.9	152.4	0	0	0	115	T915 A917	T915-L919 WeakPolarHBondContact O-CB 3.24Å; T915-L919 PolarHBondContact O-N 3.31Å; A917-L919 VanDerWaalsContact C-N 3.31Å; A917-L919 PolarHBondContact O-N 2.86Å
920	R	55	Low	47	Very low	217 Å²	217	115.5 Å²	115.5	82%	0.819	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-7.2	174.6	-73.7	-172.9	175.1	169	1.7	114.9	A917 I918	A917-R920 PolarHBondContact O-N 3.22Å; A917-R920 VanDerWaalsContact O-N 3.09Å; I918-R920 PolarHBondContact O-N 3.24Å
921	G	47.8	Very low	47.3	Very low	66 Å²	66	113.8 Å²	113.8	68%	0.68	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.7	10	169.8	0	0	0	0	0	116.7	A917 I918	A917-G921 PolarHBondContact O-N 2.77Å; I918-G921 PolarHBondContact O-N 3.3Å
922	D	42.7	Very low	48.2	Very low	126 Å²	126	113.7 Å²	113.7	67%	0.674	65%	0.65	S	S	*	*			trans	-85	140.7	174.8	-81.9	-45.7	0	0	0	112.4
923	P	42	Very low	49	Very low	122 Å²	122	111.4 Å²	111.4	79%	0.792	64%	0.643	S	S	*	*			trans	-88.4	136.3	-178	34	-34.1	0	0	0	113.2
924	I	39.8	Very low	49.4	Very low	149 Å²	149	109.8 Å²	109.8	76%	0.764	64%	0.637	S	S	*	*			trans	-131.7	148.5	177	-63.1	-175.8	0	0	0	111.7
925	M	32.8	Very low	49.8	Very low	174 Å²	174	110.1 Å²	110.1	86%	0.857	64%	0.64	S	S	*	*			trans	-101	-174.8	-167	-65	166.7	59.7	0	0	114
926	T	34.7	Very low	50.6	Low	126 Å²	126	111 Å²	111	77%	0.773	64%	0.639	S	S	*	*			trans	-59.7	147.7	-171.7	49.2	0	0	0	0	115.7
927	P	39.6	Very low	51.4	Low	131 Å²	131	111.8 Å²	111.8	85%	0.851	64%	0.64	S	S	*	*			trans	-71.6	156.9	179.3	31.2	-36.3	0	0	0	113.3
928	S	40.3	Very low	51.9	Low	119 Å²	119	114.7 Å²	114.7	83%	0.832	65%	0.649	S	S	*	*			trans	-118.8	165	175.7	55.9	0	0	0	0	112
929	V	52.6	Low	52.5	Low	110 Å²	110	110.6 Å²	110.6	67%	0.667	64%	0.636	S	S	*	*			trans	-72.9	140.7	-164.5	-177.9	0	0	0	0	113.1	T933	V929-T933 HydrophobicContact CG1-CG2 4.29Å
930	S	65.9	Low	53.1	Low	71 Å²	71	110 Å²	110	50%	0.497	63%	0.629	S	S	.	*			trans	-63.2	140	-179.8	180	0	0	0	0	113.8	K932 T933 I934	S930-K932 PolarHBondContact O-N 2.82Å; S930-K932 VanDerWaalsContact O-N 3.16Å; S930-K932 PolarHBondContact OG-N 2.96Å; S930-T933 WeakPolarHBondContact O-CB 3.16Å; S930-T933 PolarHBondContact O-N 3.19Å; S930-T933 VanDerWaalsContact O-N 3.14Å; S930-I934 PolarHBondContact O-N 3.28Å
931	A	51.9	Low	53.7	Low	77 Å²	77	106.9 Å²	106.9	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-58.9	-24.8	174.2	0	0	0	0	0	113.8	I934 A935	A931-I934 PolarHBondContact O-N 2.82Å; A931-A935 PolarHBondContact O-N 2.82Å
932	K	63.5	Low	54.5	Low	136 Å²	136	107.9 Å²	107.9	59%	0.591	61%	0.61	S	S	*	*	H	α-helix	trans	-60.2	-47.5	174.6	-175.5	176.4	-177.7	-69.3	0	111.2	S930 I934 A935 E936	S930-K932 PolarHBondContact O-N 2.82Å; S930-K932 VanDerWaalsContact O-N 3.16Å; S930-K932 PolarHBondContact OG-N 2.96Å; K932-I934 VanDerWaalsContact C-N 3.3Å; K932-I934 PolarHBondContact O-N 3.24Å; K932-A935 PolarHBondContact O-N 2.85Å; K932-E936 IonicContact NZ-OE1 3.54Å; K932-E936 PolarHBondContact NZ-OE1 3.15Å; K932-E936 IonicContact NZ-OE2 2.65Å; K932-E936 WeakPolarHBondContact O-CG 3.41Å; K932-E936 PolarHBondContact O-N 3.03Å
933	T	64.1	Low	55.6	Low	53 Å²	53	105 Å²	105	33%	0.325	60%	0.595	S	S	.	*	H	α-helix	trans	-64.7	-34.4	179.8	-46	0	0	0	0	112.1	V929 S930 Q937	V929-T933 HydrophobicContact CG1-CG2 4.29Å; S930-T933 WeakPolarHBondContact O-CB 3.16Å; S930-T933 PolarHBondContact O-N 3.19Å; S930-T933 VanDerWaalsContact O-N 3.14Å; T933-Q937 WeakPolarHBondContact O-CG 3.41Å; T933-Q937 PolarHBondContact O-N 3.45Å; T933-Q937 VanDerWaalsContact O-N 3.14Å
934	I	60.3	Low	56.8	Low	96 Å²	96	103 Å²	103	49%	0.492	59%	0.588	S	S	.	*	H	α-helix	trans	-69.5	-39.9	176	-60.5	173.4	0	0	0	110.9	S930 A931 K932 L938	S930-I934 PolarHBondContact O-N 3.28Å; A931-I934 PolarHBondContact O-N 2.82Å; K932-I934 VanDerWaalsContact C-N 3.3Å; K932-I934 PolarHBondContact O-N 3.24Å; I934-L938 PolarHBondContact O-N 3Å; I934-L938 VanDerWaalsContact O-N 3.16Å
935	A	55.8	Low	58	Low	61 Å²	61	105 Å²	105	50%	0.504	59%	0.592	S	S	.	*	H	α-helix	trans	-65.7	-40.7	176.2	0	0	0	0	0	112.3	A931 K932 L938 A939	A931-A935 PolarHBondContact O-N 2.82Å; K932-A935 PolarHBondContact O-N 2.85Å; A935-L938 PolarHBondContact O-N 2.93Å; A935-A939 PolarHBondContact O-N 3.47Å
936	E	65.7	Low	59.2	Low	88 Å²	88	102.8 Å²	102.8	41%	0.411	58%	0.583	S	S	.	*	H	α-helix	trans	-61.9	-49.3	177.1	-72.5	161.5	163.1	0	0	111.3	K932 L938 A939 E940	K932-E936 IonicContact NZ-OE1 3.54Å; K932-E936 PolarHBondContact NZ-OE1 3.15Å; K932-E936 IonicContact NZ-OE2 2.65Å; K932-E936 WeakPolarHBondContact O-CG 3.41Å; K932-E936 PolarHBondContact O-N 3.03Å; E936-L938 PolarHBondContact O-N 2.79Å; E936-A939 WeakPolarHBondContact O-CB 3.22Å; E936-A939 PolarHBondContact O-N 3.18Å; E936-A939 VanDerWaalsContact O-N 3.13Å; E936-E940 PolarHBondContact O-N 3.15Å
937	Q	66.3	Low	59.9	Low	109 Å²	109	103.7 Å²	103.7	51%	0.509	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-26	176.1	-70.6	177.3	2.2	0	0	114	T933 K941	T933-Q937 WeakPolarHBondContact O-CG 3.41Å; T933-Q937 PolarHBondContact O-N 3.45Å; T933-Q937 VanDerWaalsContact O-N 3.14Å; Q937-K941 PolarHBondContact O-N 3.41Å
938	L	63.8	Low	60.9	Low	101 Å²	101	104.2 Å²	104.2	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-76.4	-40.1	174.2	-114	162.5	0	0	0	111.7	I934 A935 E936 K941 I942	I934-L938 PolarHBondContact O-N 3Å; I934-L938 VanDerWaalsContact O-N 3.16Å; A935-L938 PolarHBondContact O-N 2.93Å; E936-L938 PolarHBondContact O-N 2.79Å; L938-K941 PolarHBondContact O-N 3.07Å; L938-I942 HydrophobicContact CD2-CD1 4.45Å; L938-I942 WeakPolarHBondContact O-CG1 3.43Å; L938-I942 PolarHBondContact O-N 3.47Å
939	A	64.8	Low	61.4	Low	49 Å²	49	102.1 Å²	102.1	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-43.3	173.9	0	0	0	0	0	111.6	A935 E936 K941 I942 N943	A935-A939 PolarHBondContact O-N 3.47Å; E936-A939 WeakPolarHBondContact O-CB 3.22Å; E936-A939 PolarHBondContact O-N 3.18Å; E936-A939 VanDerWaalsContact O-N 3.13Å; A939-K941 PolarHBondContact O-N 3.15Å; A939-I942 PolarHBondContact O-N 3.37Å; A939-I942 VanDerWaalsContact O-N 3.13Å; A939-N943 PolarHBondContact O-N 3.48Å
940	E	65.9	Low	61.6	Low	129 Å²	129	98.7 Å²	98.7	60%	0.603	53%	0.531	S	S	*	.	H	α-helix	trans	-60.3	-43.9	175.3	-69.6	-176.6	136.1	0	0	112.4	E936 I942 N943 A944	E936-E940 PolarHBondContact O-N 3.15Å; E940-I942 VanDerWaalsContact C-N 3.26Å; E940-I942 PolarHBondContact O-N 2.79Å; E940-N943 PolarHBondContact O-N 3.33Å; E940-A944 WeakPolarHBondContact O-CB 3.24Å; E940-A944 PolarHBondContact O-N 2.96Å
941	K	67	Low	61.1	Low	151 Å²	151	99.6 Å²	99.6	66%	0.657	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-26.8	175.1	-81.8	176.5	176.9	168.8	0	113.7	Q937 L938 A939 K945	Q937-K941 PolarHBondContact O-N 3.41Å; L938-K941 PolarHBondContact O-N 3.07Å; A939-K941 PolarHBondContact O-N 3.15Å; K941-K945 PolarHBondContact O-N 2.88Å
942	I	64.3	Low	61.3	Low	88 Å²	88	103.1 Å²	103.1	45%	0.451	54%	0.537	S	S	.	.	H	α-helix	trans	-76.9	-45.8	174.2	-71.2	165.6	0	0	0	110.3	L938 A939 E940 A944 K945 L946	L938-I942 HydrophobicContact CD2-CD1 4.45Å; L938-I942 WeakPolarHBondContact O-CG1 3.43Å; L938-I942 PolarHBondContact O-N 3.47Å; A939-I942 PolarHBondContact O-N 3.37Å; A939-I942 VanDerWaalsContact O-N 3.13Å; E940-I942 VanDerWaalsContact C-N 3.26Å; E940-I942 PolarHBondContact O-N 2.79Å; I942-A944 VanDerWaalsContact C-N 3.32Å; I942-A944 PolarHBondContact O-N 3.45Å; I942-K945 PolarHBondContact O-N 3.43Å; I942-L946 HydrophobicContact CG2-CD1 3.78Å; I942-L946 HydrophobicContact CG2-CG 4.41Å; I942-L946 WeakPolarHBondContact O-CG 3.22Å; I942-L946 PolarHBondContact O-N 3.39Å
943	N	67.4	Low	60.8	Low	64 Å²	64	102.2 Å²	102.2	34%	0.342	53%	0.533	S	S	.	.	H	α-helix	trans	-59.5	-42.8	176.1	-67.5	-15.6	0	0	0	111.6	A939 E940 K945 L946 N947 Y948	A939-N943 PolarHBondContact O-N 3.48Å; E940-N943 PolarHBondContact O-N 3.33Å; N943-K945 VanDerWaalsContact C-N 3.29Å; N943-K945 PolarHBondContact O-N 3.33Å; N943-L946 PolarHBondContact O-N 3.47Å; N943-N947 PolarHBondContact O-N 3.42Å; N943-Y948 PolarHBondContact O-N 2.93Å
944	A	65.6	Low	60.1	Low	80 Å²	80	104.2 Å²	104.2	66%	0.661	54%	0.541	S	S	*	.	H	α-helix	trans	-64	-29.1	174.3	0	0	0	0	0	113.6	E940 I942	E940-A944 WeakPolarHBondContact O-CB 3.24Å; E940-A944 PolarHBondContact O-N 2.96Å; I942-A944 VanDerWaalsContact C-N 3.32Å; I942-A944 PolarHBondContact O-N 3.45Å
945	K	64.9	Low	59.7	Low	192 Å²	192	104 Å²	104	84%	0.835	54%	0.538	S	S	*	.	H	α-helix	trans	-83	-25	174.5	-91.8	-170.6	170	-173.4	0	114.3	K941 I942 N943	K941-K945 PolarHBondContact O-N 2.88Å; I942-K945 PolarHBondContact O-N 3.43Å; N943-K945 VanDerWaalsContact C-N 3.29Å; N943-K945 PolarHBondContact O-N 3.33Å
946	L	57.9	Low	59.4	Low	127 Å²	127	107 Å²	107	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-90.5	-2.8	176.3	-67.6	174	0	0	0	112.8	I942 N943 Y948	I942-L946 HydrophobicContact CG2-CD1 3.78Å; I942-L946 HydrophobicContact CG2-CG 4.41Å; I942-L946 WeakPolarHBondContact O-CG 3.22Å; I942-L946 PolarHBondContact O-N 3.39Å; N943-L946 PolarHBondContact O-N 3.47Å; L946-Y948 PolarHBondContact O-N 2.81Å
947	N	49.8	Very low	58.4	Low	146 Å²	146	108.8 Å²	108.8	78%	0.781	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.8	34.9	-178.7	-149.1	97.9	0	0	0	112.7	N943	N943-N947 PolarHBondContact O-N 3.42Å
948	Y	60.6	Low	57.6	Low	142 Å²	142	110.4 Å²	110.4	56%	0.557	55%	0.551	S	S	*	*			trans	-104.4	108.1	-173.5	175.8	-97.8	0	0	0	110.3	N943 L946	N943-Y948 PolarHBondContact O-N 2.93Å; L946-Y948 PolarHBondContact O-N 2.81Å
949	T	52.3	Low	56.9	Low	74 Å²	74	110.8 Å²	110.8	45%	0.454	55%	0.551	S	S	.	*			trans	-84.8	122.7	172.7	-49.6	0	0	0	0	109.5	K953 L954	T949-K953 HydrophobicContact CG2-CB 4.23Å; T949-L954 HydrophobicContact CG2-CD1 4.36Å; T949-L954 HydrophobicContact CG2-CD2 4.45Å; T949-L954 HydrophobicContact CG2-CG 4Å
950	P	56.4	Low	56	Low	39 Å²	39	111.6 Å²	111.6	25%	0.253	56%	0.557	S	S	.	*			trans	-60.6	142.3	174	-23.1	34.4	0	0	0	111.7	E952 K953 L954	P950-E952 PolarHBondContact O-N 3.08Å; P950-K953 PolarHBondContact O-N 3.44Å; P950-L954 PolarHBondContact O-N 2.98Å
951	V	55	Low	54.9	Low	90 Å²	90	108.8 Å²	108.8	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-55.7	-38.1	179.9	179.8	0	0	0	0	111.5	K953 L954 E955	V951-K953 VanDerWaalsContact C-N 3.28Å; V951-K953 PolarHBondContact O-N 2.84Å; V951-L954 PolarHBondContact O-N 3.46Å; V951-E955 HydrophobicContact CG1-CG 4.47Å; V951-E955 PolarHBondContact O-N 2.88Å
952	E	56.5	Low	53.8	Low	150 Å²	150	108.7 Å²	108.7	70%	0.701	56%	0.558	S	S	*	*	H	α-helix	trans	-55.1	-40.5	177.9	-65.3	163.7	149.2	0	0	111.9	P950 E955 E956	P950-E952 PolarHBondContact O-N 3.08Å; E952-E955 PolarHBondContact O-N 2.83Å; E952-E956 WeakPolarHBondContact O-CG 3.43Å; E952-E956 PolarHBondContact O-N 3.36Å
953	K	52.7	Low	52.9	Low	117 Å²	117	112 Å²	112	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-71.5	-30.7	176.4	-79	-166.1	169.9	-172.5	0	113.8	T949 P950 V951 E955 E956 E957	T949-K953 HydrophobicContact CG2-CB 4.23Å; P950-K953 PolarHBondContact O-N 3.44Å; V951-K953 VanDerWaalsContact C-N 3.28Å; V951-K953 PolarHBondContact O-N 2.84Å; K953-E955 VanDerWaalsContact C-N 3.29Å; K953-E956 PolarHBondContact O-N 3.42Å; K953-E957 WeakPolarHBondContact O-CB 3.18Å; K953-E957 WeakPolarHBondContact O-CG 3.49Å; K953-E957 PolarHBondContact O-N 3.42Å
954	L	48.3	Very low	51.9	Low	95 Å²	95	112.8 Å²	112.8	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-74.7	-20.9	174.3	-72	166.3	0	0	0	112.3	T949 P950 V951	T949-L954 HydrophobicContact CG2-CD1 4.36Å; T949-L954 HydrophobicContact CG2-CD2 4.45Å; T949-L954 HydrophobicContact CG2-CG 4Å; P950-L954 PolarHBondContact O-N 2.98Å; V951-L954 PolarHBondContact O-N 3.46Å
955	E	52.1	Low	51.1	Low	92 Å²	92	118 Å²	118	43%	0.43	60%	0.597	S	S	.	*	H	α-helix	trans	-85.9	-35.9	169.6	-62.8	-162.1	115.7	0	0	112.1	V951 E952 K953 R958 Q959	V951-E955 HydrophobicContact CG1-CG 4.47Å; V951-E955 PolarHBondContact O-N 2.88Å; E952-E955 PolarHBondContact O-N 2.83Å; K953-E955 VanDerWaalsContact C-N 3.29Å; E955-R958 PolarHBondContact O-N 3.24Å; E955-Q959 WeakPolarHBondContact O-CB 3.38Å; E955-Q959 VanDerWaalsContact O-CG 3.28Å; E955-Q959 WeakPolarHBondContact O-CG 3.29Å; E955-Q959 PolarHBondContact O-N 3.21Å
956	E	50	Low	50.1	Low	123 Å²	123	113.1 Å²	113.1	58%	0.575	58%	0.584	S	S	*	*	H	α-helix	trans	-61.5	-47.6	169.8	-74	178.8	146	0	0	112.1	E952 K953 R958 Q959 A960	E952-E956 WeakPolarHBondContact O-CG 3.43Å; E952-E956 PolarHBondContact O-N 3.36Å; K953-E956 PolarHBondContact O-N 3.42Å; E956-R958 VanDerWaalsContact C-N 3.28Å; E956-R958 PolarHBondContact O-N 3.45Å; E956-Q959 PolarHBondContact O-N 2.96Å; E956-A960 VanDerWaalsContact O-CB 3.3Å; E956-A960 WeakPolarHBondContact O-CB 3Å; E956-A960 PolarHBondContact O-N 3.29Å
957	E	45.7	Very low	50	Low	127 Å²	127	112.7 Å²	112.7	59%	0.593	59%	0.586	S	S	*	*	H	α-helix	trans	-62.6	-34.6	177.6	-76.5	177.2	173.1	0	0	112.1	K953 A961	K953-E957 WeakPolarHBondContact O-CB 3.18Å; K953-E957 WeakPolarHBondContact O-CG 3.49Å; K953-E957 PolarHBondContact O-N 3.42Å; E957-A961 WeakPolarHBondContact O-CB 3.49Å; E957-A961 PolarHBondContact O-N 3.26Å
958	R	47.9	Very low	50.7	Low	142 Å²	142	109.8 Å²	109.8	54%	0.536	57%	0.566	S	S	.	*	H	α-helix	trans	-72.1	-39.9	175.9	-154	175.8	86	-125	2.7	112.3	E955 E956 A961 E962	E955-R958 PolarHBondContact O-N 3.24Å; E956-R958 VanDerWaalsContact C-N 3.28Å; E956-R958 PolarHBondContact O-N 3.45Å; R958-A961 PolarHBondContact O-N 2.84Å; R958-E962 PolarHBondContact O-N 3.33Å
959	Q	49.3	Very low	51.4	Low	110 Å²	110	107.7 Å²	107.7	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-71.7	-30.9	176.3	-70.8	174.7	38	0	0	112.6	E955 E956 Q963	E955-Q959 WeakPolarHBondContact O-CB 3.38Å; E955-Q959 VanDerWaalsContact O-CG 3.28Å; E955-Q959 WeakPolarHBondContact O-CG 3.29Å; E955-Q959 PolarHBondContact O-N 3.21Å; E956-Q959 PolarHBondContact O-N 2.96Å; Q959-Q963 WeakPolarHBondContact O-CG 3.43Å
960	A	47.3	Very low	52.9	Low	65 Å²	65	106.3 Å²	106.3	54%	0.537	54%	0.544	S	S	.	.	H	α-helix	trans	-70.4	-39.3	173.1	0	0	0	0	0	112	E956 Q963	E956-A960 VanDerWaalsContact O-CB 3.3Å; E956-A960 WeakPolarHBondContact O-CB 3Å; E956-A960 PolarHBondContact O-N 3.29Å; A960-Q963 PolarHBondContact O-N 2.95Å
961	A	41.7	Very low	54.2	Low	70 Å²	70	106.1 Å²	106.1	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-64.7	-39.6	175.7	0	0	0	0	0	112.6	E957 R958 Q963 A964	E957-A961 WeakPolarHBondContact O-CB 3.49Å; E957-A961 PolarHBondContact O-N 3.26Å; R958-A961 PolarHBondContact O-N 2.84Å; A961-Q963 PolarHBondContact O-N 3.45Å; A961-A964 PolarHBondContact O-N 3.47Å
962	E	43.5	Very low	55.6	Low	149 Å²	149	102.1 Å²	102.1	70%	0.696	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.8	178.7	-73.7	176.6	172.7	0	0	114.1	R958	R958-E962 PolarHBondContact O-N 3.33Å
963	Q	45.8	Very low	57.1	Low	159 Å²	159	95.7 Å²	95.7	74%	0.743	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.6	177.9	-68.1	-176.2	22.9	0	0	114.5	Q959 A960 A961	Q959-Q963 WeakPolarHBondContact O-CG 3.43Å; A960-Q963 PolarHBondContact O-N 2.95Å; A961-Q963 PolarHBondContact O-N 3.45Å
964	A	46	Very low	58.7	Low	79 Å²	79	90.1 Å²	90.1	65%	0.653	46%	0.461	S	S	*	.	S	Bend	trans	-87.3	-11.1	-169.5	0	0	0	0	0	116.2	A961	A961-A964 PolarHBondContact O-N 3.47Å
965	E	49.3	Very low	60.5	Low	190 Å²	190	87.8 Å²	87.8	89%	0.888	45%	0.448	S	S	*	.	S	Bend	trans	-118.9	43.9	-173.3	-71.7	-155.6	125.9	0	0	115.7
966	T	44.6	Very low	62.2	Low	90 Å²	90	83.4 Å²	83.4	55%	0.552	43%	0.427	S	S	*	.			trans	-137.3	102.6	158.2	63.9	0	0	0	0	112.9	K968	T966-K968 PolarHBondContact O-N 3.49Å
967	V	56.1	Low	63.9	Low	118 Å²	118	77.7 Å²	77.7	72%	0.715	40%	0.4	S	S	*	.			trans	-84.2	105	166.8	-179.1	0	0	0	0	108.8
968	K	64.7	Low	65.6	Low	84 Å²	84	75.8 Å²	75.8	37%	0.365	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.8	-177.9	-53.2	-155.1	169.1	-158.8	0	110.6	V847 D849 T966 Y970	V847-K968 HydrophobicContact CG1-CB 4.35Å; V847-K968 HydrophobicContact CG1-CD 4.43Å; D849-K968 WeakPolarHBondContact OD1-CD 3.46Å; D849-K968 WeakPolarHBondContact OD1-CE 3.44Å; D849-K968 VanDerWaalsContact OD1-CG 3.27Å; D849-K968 WeakPolarHBondContact OD1-CG 3.46Å; D849-K968 IonicContact OD1-NZ 3.53Å; D849-K968 IonicContact OD2-NZ 3.91Å; T966-K968 PolarHBondContact O-N 3.49Å; K968-Y970 HydrophobicContact CB-CE2 4.15Å
969	R	75.2	Confident	67.4	Low	99 Å²	99	69.1 Å²	69.1	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.7	174.2	-157	167	-174.4	-111.7	-3.2	110	K848 E1029	K848-R969 PolarHBondContact N-O 3.4Å; K848-R969 PolarHBondContact O-N 2.88Å; R969-E1029 IonicContact CZ-OE2 3.12Å; R969-E1029 IonicContact NH1-OE2 3.24Å; R969-E1029 PolarHBondContact NH1-OE2 2.76Å; R969-E1029 IonicContact NH2-OE2 2.71Å; R969-E1029 PolarHBondContact NH2-OE2 3.47Å
970	Y	82.5	Confident	69	Low	45 Å²	45	66.3 Å²	66.3	18%	0.176	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.8	-178.5	-65.5	-93	0	0	0	108.8	V847 K968 E1029 S1030 E1033	V847-Y970 HydrophobicContact CG1-CE1 4.33Å; V847-Y970 HydrophobicContact CG2-CD1 3.85Å; V847-Y970 HydrophobicContact CG2-CE1 3.82Å; K968-Y970 HydrophobicContact CB-CE2 4.15Å; Y970-E1029 WeakPolarHBondContact O-CA 3.35Å; Y970-S1030 PolarHBondContact N-O 2.8Å; Y970-S1030 PolarHBondContact O-N 3.24Å; Y970-E1033 HydrophobicContact CD1-CB 3.83Å; Y970-E1033 HydrophobicContact CD1-CG 3.85Å; Y970-E1033 HydrophobicContact CD2-CB 4.36Å; Y970-E1033 HydrophobicContact CE1-CB 3.63Å; Y970-E1033 HydrophobicContact CE1-CG 3.75Å; Y970-E1033 WeakPolarHBondContact CE1-OE2 3.42Å; Y970-E1033 HydrophobicContact CE2-CB 4.19Å; Y970-E1033 HydrophobicContact CG-CB 4.19Å; Y970-E1033 PolarHBondContact OH-OE2 2.7Å
971	E	83.8	Confident	70.6	Confident	34 Å²	34	68.3 Å²	68.3	16%	0.159	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.9	175.8	-176.2	173.2	-165.1	0	0	109.1	R846 R1007 I1028 E1029	R846-E971 PolarHBondContact N-O 3.18Å; R846-E971 PolarHBondContact O-N 3.02Å; E971-R1007 IonicContact OE1-CZ 2.67Å; E971-R1007 IonicContact OE1-NH1 2.69Å; E971-R1007 PolarHBondContact OE1-NH1 2.95Å; E971-I1028 CarbonylContact C-O 3.58Å; E971-I1028 VanDerWaalsContact CA-O 3.29Å; E971-I1028 WeakPolarHBondContact CA-O 3.46Å; E971-E1029 HydrophobicContact CB-CG 4.42Å; E971-E1029 HydrophobicContact CG-CG 4.02Å
972	E	85.8	Confident	72.7	Confident	7 Å²	7	67.3 Å²	67.3	3%	0.033	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.6	174.1	-168.1	164.4	161.3	0	0	110.9	S843 K845 I1028 V1036 K1040	S843-E972 WeakPolarHBondContact CB-OE1 3.34Å; K845-E972 HydrophobicContact CB-CG 4.3Å; E972-I1028 PolarHBondContact N-O 2.76Å; E972-I1028 PolarHBondContact O-N 3.45Å; E972-V1036 HydrophobicContact CB-CG1 3.66Å; E972-K1040 WeakPolarHBondContact OE1-CD 3.46Å; E972-K1040 WeakPolarHBondContact OE1-CE 3.27Å; E972-K1040 IonicContact OE1-NZ 2.67Å; E972-K1040 PolarHBondContact OE1-NZ 3.01Å
973	E	87.3	Confident	74.7	Confident	14 Å²	14	60.2 Å²	60.2	7%	0.065	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.5	176.1	-57.5	180	117.7	0	0	109.5	S843 K844 R846 R1022 Y1025	S843-E973 WeakPolarHBondContact CA-O 3.2Å; K844-E973 HydrophobicContact CB-CB 4.33Å; K844-E973 PolarHBondContact N-O 2.95Å; K844-E973 PolarHBondContact O-N 3.05Å; R846-E973 IonicContact CZ-OE2 3.44Å; R846-E973 IonicContact NE-OE2 3.35Å; R846-E973 PolarHBondContact NE-OE2 3.48Å; R846-E973 IonicContact NH2-OE1 3.58Å; R846-E973 IonicContact NH2-OE2 2.7Å; R846-E973 PolarHBondContact NH2-OE2 2.9Å; E973-R1022 IonicContact OE1-CZ 3.28Å; E973-R1022 VanDerWaalsContact OE1-CZ 3.28Å; E973-R1022 IonicContact OE1-NH1 2.68Å; E973-R1022 PolarHBondContact OE1-NH1 3.29Å; E973-R1022 IonicContact OE1-NH2 2.96Å; E973-R1022 PolarHBondContact OE1-NH2 2.87Å; E973-R1022 IonicContact OE2-NH2 3.26Å; E973-R1022 PolarHBondContact OE2-NH2 3Å; E973-Y1025 HydrophobicContact CB-CD2 3.88Å; E973-Y1025 HydrophobicContact CB-CE2 4.25Å; E973-Y1025 HydrophobicContact CG-CD2 4.03Å; E973-Y1025 HydrophobicContact CG-CE2 3.87Å; E973-Y1025 WeakPolarHBondContact OE1-CE2 3.31Å
974	L	86.2	Confident	76.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	104.6	170.9	-64.2	-178.5	0	0	0	110.2	F841 I976 Y1025 L1026 I1028 K1040 I1043	F841-L974 HydrophobicContact CD1-CB 4.46Å; F841-L974 HydrophobicContact CD1-CD2 4.27Å; F841-L974 HydrophobicContact CE1-CB 4.26Å; F841-L974 HydrophobicContact CE1-CD1 4.41Å; L974-I976 PolarHBondContact O-N 3.43Å; L974-Y1025 CarbonylContact O-C 3.31Å; L974-Y1025 WeakPolarHBondContact O-CA 3.46Å; L974-Y1025 VanDerWaalsContact O-CB 3.29Å; L974-Y1025 WeakPolarHBondContact O-CB 3.37Å; L974-L1026 HydrophobicContact CB-CB 4.48Å; L974-L1026 PolarHBondContact N-O 2.94Å; L974-L1026 PolarHBondContact O-N 3.38Å; L974-I1028 HydrophobicContact CD1-CD1 3.71Å; L974-I1028 HydrophobicContact CG-CD1 4.25Å; L974-K1040 HydrophobicContact CD1-CB 4.42Å; L974-K1040 HydrophobicContact CD1-CG 4.12Å; L974-K1040 HydrophobicContact CD2-CD 4.16Å; L974-K1040 HydrophobicContact CD2-CG 4.22Å; L974-I1043 HydrophobicContact CD1-CD1 4.11Å; L974-I1043 HydrophobicContact CD1-CG2 4.21Å
975	E	85.3	Confident	78.5	Confident	47 Å²	47	57.6 Å²	57.6	22%	0.22	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.8	172.4	-168.8	174.9	125.9	0	0	110.1	N977 K1023	E975-N977 HydrophobicContact CG-CB 4.33Å; E975-K1023 HydrophobicContact CG-CB 4.36Å; E975-K1023 HydrophobicContact CG-CD 4.32Å; E975-K1023 WeakPolarHBondContact OE1-CD 3.42Å; E975-K1023 WeakPolarHBondContact OE1-CE 2.96Å; E975-K1023 IonicContact OE1-NZ 3.31Å; E975-K1023 PolarHBondContact OE1-NZ 2.88Å
976	I	87.7	Confident	80.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.251	C	S	.	.			trans	-113.1	0.7	-178.9	61.7	165.3	0	0	0	113	F841 L974 D978 F979 R984 V987 T988 I1024 L1026	F841-I976 HydrophobicContact CE1-CG2 4.41Å; L974-I976 PolarHBondContact O-N 3.43Å; I976-D978 VanDerWaalsContact C-N 3.29Å; I976-D978 PolarHBondContact O-N 2.91Å; I976-F979 HydrophobicContact CB-CD2 4.47Å; I976-F979 PolarHBondContact O-N 3.23Å; I976-R984 WeakPolarHBondContact O-CD 3.48Å; I976-R984 VanDerWaalsContact O-CG 3.26Å; I976-R984 WeakPolarHBondContact O-CG 3.28Å; I976-V987 HydrophobicContact CD1-CG2 4.17Å; I976-T988 HydrophobicContact CD1-CG2 3.48Å; I976-T988 VanDerWaalsContact CD1-CG2 3.48Å; I976-I1024 HydrophobicContact CD1-CD1 4.42Å; I976-I1024 HydrophobicContact CD1-CG1 4.3Å; I976-I1024 HydrophobicContact CG1-CG1 4.23Å; I976-I1024 HydrophobicContact CG1-CG2 4.26Å; I976-I1024 PolarHBondContact N-O 3.49Å; I976-L1026 HydrophobicContact CD1-CD2 4.34Å; I976-L1026 HydrophobicContact CD1-CG 4.17Å; I976-L1026 HydrophobicContact CG2-CD1 4.25Å; I976-L1026 HydrophobicContact CG2-CG 4.22Å
977	N	85.7	Confident	82.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.011	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.5	-168.9	-172.7	87.8	0	0	0	114.4	E975 R984 Y1010 F1011 K1023 I1024	E975-N977 HydrophobicContact CG-CB 4.33Å; N977-R984 WeakPolarHBondContact O-CD 3.19Å; N977-R984 PolarHBondContact O-NH1 3.44Å; N977-Y1010 WeakPolarHBondContact OD1-CA 3.44Å; N977-Y1010 WeakPolarHBondContact OD1-CD2 3.28Å; N977-F1011 PolarHBondContact ND2-O 3.18Å; N977-F1011 PolarHBondContact OD1-N 3.48Å; N977-F1011 PolarHBondContact OD1-O 2.94Å; N977-K1023 HydrophobicContact CB-CB 3.9Å; N977-K1023 HydrophobicContact CB-CD 3.82Å; N977-K1023 HydrophobicContact CB-CG 4.02Å; N977-I1024 HydrophobicContact CB-CG2 3.87Å; N977-I1024 PolarHBondContact N-O 3.38Å
978	D	82.6	Confident	83.7	Confident	88 Å²	88	43.3 Å²	43.3	47%	0.471	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.9	-166	-60.6	-3.8	0	0	0	113	I976 K1023	I976-D978 VanDerWaalsContact C-N 3.29Å; I976-D978 PolarHBondContact O-N 2.91Å; D978-K1023 WeakPolarHBondContact OD1-CE 3.46Å; D978-K1023 IonicContact OD1-NZ 3.5Å; D978-K1023 PolarHBondContact OD1-NZ 3.35Å; D978-K1023 IonicContact OD2-NZ 3.71Å; D978-K1023 PolarHBondContact OD2-NZ 3.41Å
979	F	84.4	Confident	84.8	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	20%	0.196	C	C	.	.	S	Bend	trans	-69.6	155.3	171.6	-68.5	-85.4	0	0	0	112.4	I837 M840 F841 I976 R984 I1047 L1051	I837-F979 HydrophobicContact CG1-CE1 4.35Å; I837-F979 HydrophobicContact CG2-CE1 4.18Å; I837-F979 HydrophobicContact CG2-CZ 4.25Å; M840-F979 HydrophobicContact CB-CE1 4.1Å; M840-F979 HydrophobicContact CB-CE2 4.36Å; M840-F979 HydrophobicContact CB-CZ 3.79Å; M840-F979 HydrophobicContact CE-CD1 3.97Å; M840-F979 HydrophobicContact CE-CE1 3.62Å; M840-F979 HydrophobicContact CE-CZ 4.45Å; M840-F979 HydrophobicContact SD-CE1 4.42Å; F841-F979 AromaticContact CD1-CE2 3.94Å; F841-F979 HydrophobicContact CD1-CE2 3.94Å; F841-F979 HydrophobicContact CD1-CZ 4.11Å; F841-F979 HydrophobicContact CD2-CZ 4.22Å; F841-F979 AromaticContact CE1-CE2 3.84Å; F841-F979 HydrophobicContact CE1-CE2 3.84Å; F841-F979 HydrophobicContact CE1-CZ 4.07Å; F841-F979 HydrophobicContact CE2-CZ 4.19Å; F841-F979 HydrophobicContact CG-CE2 4.45Å; F841-F979 HydrophobicContact CG-CZ 4.2Å; F841-F979 HydrophobicContact CZ-CE2 4.3Å; F841-F979 HydrophobicContact CZ-CZ 4.13Å; I976-F979 HydrophobicContact CB-CD2 4.47Å; I976-F979 PolarHBondContact O-N 3.23Å; F979-R984 HydrophobicContact CB-CG 4.03Å; F979-R984 WeakPolarHBondContact O-CD 3.23Å; F979-R984 WeakPolarHBondContact O-CG 3.31Å; F979-R984 PolarHBondContact O-NH1 3.43Å; F979-I1047 HydrophobicContact CD1-CD1 4.31Å; F979-I1047 HydrophobicContact CD1-CG2 3.56Å; F979-I1047 HydrophobicContact CD2-CD1 4.21Å; F979-I1047 HydrophobicContact CE1-CD1 4.33Å; F979-I1047 HydrophobicContact CE1-CG2 3.59Å; F979-I1047 HydrophobicContact CE2-CD1 4.23Å; F979-I1047 HydrophobicContact CG-CD1 4.24Å; F979-I1047 HydrophobicContact CG-CG2 4.37Å; F979-I1047 HydrophobicContact CZ-CD1 4.29Å; F979-I1047 HydrophobicContact CZ-CG2 4.42Å; F979-L1051 HydrophobicContact CD1-CD1 4.38Å
980	P	84.2	Confident	85.2	Confident	51 Å²	51	45 Å²	45	33%	0.331	22%	0.215	S	C	.	.			trans	-56	150.9	177.1	-28.3	37.5	0	0	0	114.5	T982 A983 R984 L1051 L1054	P980-T982 VanDerWaalsContact C-N 3.32Å; P980-T982 PolarHBondContact O-N 2.9Å; P980-A983 PolarHBondContact O-N 3.12Å; P980-A983 VanDerWaalsContact O-N 3.11Å; P980-R984 PolarHBondContact O-N 3.26Å; P980-L1051 HydrophobicContact CG-CD2 3.72Å; P980-L1054 HydrophobicContact CB-CD1 3.58Å; P980-L1054 HydrophobicContact CG-CD1 3.94Å
981	Q	81.1	Confident	85.5	Confident	106 Å²	106	49.5 Å²	49.5	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-55.6	-40	-172.9	-178.6	173.5	-6.4	0	0	114	W985	Q981-W985 HydrophobicContact CG-CD2 4.07Å; Q981-W985 HydrophobicContact CG-CE3 4.32Å; Q981-W985 HydrophobicContact CG-CH2 4.47Å; Q981-W985 HydrophobicContact CG-CZ2 4.2Å; Q981-W985 WeakPolarHBondContact O-CB 3.21Å; Q981-W985 VanDerWaalsContact O-CG 3.31Å; Q981-W985 PolarHBondContact O-N 3.22Å
982	T	84.6	Confident	85.6	Confident	50 Å²	50	48.1 Å²	48.1	31%	0.307	23%	0.232	S	C	.	.	H	α-helix	trans	-67.9	-43.7	177.8	52.4	0	0	0	0	112.1	P980 W985 K986 L1054	P980-T982 VanDerWaalsContact C-N 3.32Å; P980-T982 PolarHBondContact O-N 2.9Å; T982-W985 PolarHBondContact O-N 3.05Å; T982-K986 WeakPolarHBondContact O-CB 3.45Å; T982-K986 PolarHBondContact O-N 3.4Å; T982-L1054 WeakPolarHBondContact OG1-CD1 3.21Å
983	A	86.1	Confident	85.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-44.4	176.7	0	0	0	0	0	111.4	P980 K986 V987 I1047 E1050	P980-A983 PolarHBondContact O-N 3.12Å; P980-A983 VanDerWaalsContact O-N 3.11Å; A983-K986 WeakPolarHBondContact O-CB 3.35Å; A983-K986 PolarHBondContact O-N 2.62Å; A983-V987 PolarHBondContact O-N 2.75Å; A983-I1047 HydrophobicContact CB-CG2 4.5Å; A983-E1050 HydrophobicContact CB-CB 4.29Å; A983-E1050 HydrophobicContact CB-CG 4.28Å
984	R	86	Confident	85.6	Confident	20 Å²	20	53.7 Å²	53.7	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-50.6	172.9	-63.4	-168	-50.8	-115.2	1.1	111.5	I976 N977 F979 P980 K986 V987 T988	I976-R984 WeakPolarHBondContact O-CD 3.48Å; I976-R984 VanDerWaalsContact O-CG 3.26Å; I976-R984 WeakPolarHBondContact O-CG 3.28Å; N977-R984 WeakPolarHBondContact O-CD 3.19Å; N977-R984 PolarHBondContact O-NH1 3.44Å; F979-R984 HydrophobicContact CB-CG 4.03Å; F979-R984 WeakPolarHBondContact O-CD 3.23Å; F979-R984 WeakPolarHBondContact O-CG 3.31Å; F979-R984 PolarHBondContact O-NH1 3.43Å; P980-R984 PolarHBondContact O-N 3.26Å; R984-K986 VanDerWaalsContact C-N 3.29Å; R984-K986 PolarHBondContact O-N 2.97Å; R984-V987 WeakPolarHBondContact O-CG2 3.48Å; R984-V987 PolarHBondContact O-N 2.88Å; R984-T988 WeakPolarHBondContact O-CG2 3.46Å; R984-T988 PolarHBondContact O-N 3.21Å; R984-T988 PolarHBondContact O-OG1 2.99Å
985	W	84.9	Confident	85.7	Confident	163 Å²	163	61 Å²	61	62%	0.617	29%	0.286	S	S	*	.	H	α-helix	trans	-60.6	-34.9	179.1	-77.1	-9.2	0	0	0	113.6	Q981 T982 T988 S989	Q981-W985 HydrophobicContact CG-CD2 4.07Å; Q981-W985 HydrophobicContact CG-CE3 4.32Å; Q981-W985 HydrophobicContact CG-CH2 4.47Å; Q981-W985 HydrophobicContact CG-CZ2 4.2Å; Q981-W985 WeakPolarHBondContact O-CB 3.21Å; Q981-W985 VanDerWaalsContact O-CG 3.31Å; Q981-W985 PolarHBondContact O-N 3.22Å; T982-W985 PolarHBondContact O-N 3.05Å; W985-T988 WeakPolarHBondContact CA-OG1 3.38Å; W985-S989 WeakPolarHBondContact O-CB 3.41Å; W985-S989 PolarHBondContact O-N 2.98Å; W985-S989 VanDerWaalsContact O-N 3.1Å
986	K	86.9	Confident	85.9	Confident	66 Å²	66	59 Å²	59	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-53.5	174.1	-173.3	87.6	172.1	-134.1	0	110.5	T982 A983 R984 S989 A992 E1049 E1050	T982-K986 WeakPolarHBondContact O-CB 3.45Å; T982-K986 PolarHBondContact O-N 3.4Å; A983-K986 WeakPolarHBondContact O-CB 3.35Å; A983-K986 PolarHBondContact O-N 2.62Å; R984-K986 VanDerWaalsContact C-N 3.29Å; R984-K986 PolarHBondContact O-N 2.97Å; K986-S989 WeakPolarHBondContact O-CB 3.48Å; K986-S989 PolarHBondContact O-N 3.49Å; K986-S989 PolarHBondContact O-OG 3.03Å; K986-A992 VanDerWaalsContact O-CB 3.28Å; K986-A992 WeakPolarHBondContact O-CB 3.21Å; K986-E1049 IonicContact NZ-OE1 3.93Å; K986-E1049 PolarHBondContact NZ-OE1 3.1Å; K986-E1050 IonicContact NZ-OE2 3.75Å
987	V	86.4	Confident	85.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-77.3	-21.9	-177.8	-59.8	0	0	0	0	114.6	I976 A983 R984 S989 L993 L1026 I1043 L1046 I1047	I976-V987 HydrophobicContact CD1-CG2 4.17Å; A983-V987 PolarHBondContact O-N 2.75Å; R984-V987 WeakPolarHBondContact O-CG2 3.48Å; R984-V987 PolarHBondContact O-N 2.88Å; V987-S989 VanDerWaalsContact C-N 3.34Å; V987-L993 VanDerWaalsContact O-CD2 3.26Å; V987-L993 WeakPolarHBondContact O-CD2 3.41Å; V987-L993 WeakPolarHBondContact O-CG 3.28Å; V987-L1026 HydrophobicContact CB-CD1 4.37Å; V987-L1026 HydrophobicContact CG2-CD1 4.25Å; V987-I1043 HydrophobicContact CG1-CG2 4.26Å; V987-L1046 HydrophobicContact CG1-CB 4.01Å; V987-I1047 HydrophobicContact CG1-CD1 4.31Å; V987-I1047 HydrophobicContact CG1-CG1 3.65Å; V987-I1047 HydrophobicContact CG2-CD1 4.38Å; V987-I1047 HydrophobicContact CG2-CG1 4.48Å
988	T	86.3	Confident	86	Confident	31 Å²	31	65.9 Å²	65.9	19%	0.19	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.3	170.6	62.8	0	0	0	0	113.6	I976 R984 W985 I1006 I1024 L1026	I976-T988 HydrophobicContact CD1-CG2 3.48Å; I976-T988 VanDerWaalsContact CD1-CG2 3.48Å; R984-T988 WeakPolarHBondContact O-CG2 3.46Å; R984-T988 PolarHBondContact O-N 3.21Å; R984-T988 PolarHBondContact O-OG1 2.99Å; W985-T988 WeakPolarHBondContact CA-OG1 3.38Å; T988-I1006 HydrophobicContact CG2-CD1 4.13Å; T988-I1006 HydrophobicContact CG2-CG1 4.32Å; T988-I1006 HydrophobicContact CG2-CG2 4.46Å; T988-I1024 HydrophobicContact CG2-CD1 4.45Å; T988-L1026 HydrophobicContact CG2-CD2 4.43Å
989	S	87.8	Confident	86.3	Confident	42 Å²	42	68.7 Å²	68.7	29%	0.294	32%	0.319	S	S	.	.	S	Bend	trans	-72.5	139.5	179.6	70.6	0	0	0	0	111.1	W985 K986 V987 E991 A992 L993	W985-S989 WeakPolarHBondContact O-CB 3.41Å; W985-S989 PolarHBondContact O-N 2.98Å; W985-S989 VanDerWaalsContact O-N 3.1Å; K986-S989 WeakPolarHBondContact O-CB 3.48Å; K986-S989 PolarHBondContact O-N 3.49Å; K986-S989 PolarHBondContact O-OG 3.03Å; V987-S989 VanDerWaalsContact C-N 3.34Å; S989-E991 PolarHBondContact O-N 3.14Å; S989-A992 PolarHBondContact O-N 3.43Å; S989-A992 WeakPolarHBondContact OG-CB 3.35Å; S989-A992 PolarHBondContact OG-N 3.27Å; S989-L993 PolarHBondContact O-N 3.43Å
990	K	84.3	Confident	86.4	Confident	177 Å²	177	68.7 Å²	68.7	77%	0.77	32%	0.32	S	S	*	.	H	α-helix	trans	-56.3	-40.5	-177.5	-171.8	-176.2	177	-171.3	0	112.1	Q994	K990-Q994 WeakPolarHBondContact O-CB 3.46Å; K990-Q994 PolarHBondContact O-N 2.9Å
991	E	88	Confident	86.5	Confident	139 Å²	139	74.1 Å²	74.1	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-70.3	-28.6	178.6	-61.8	177.6	-172.5	0	0	114	S989 R995	S989-E991 PolarHBondContact O-N 3.14Å; E991-R995 WeakPolarHBondContact O-CG 3.16Å; E991-R995 PolarHBondContact O-N 2.83Å; E991-R995 PolarHBondContact O-NE 2.82Å; E991-R995 IonicContact OE2-NH2 2.88Å
992	A	86.1	Confident	86.9	Confident	6 Å²	6	69.3 Å²	69.3	5%	0.05	32%	0.319	C	S	.	.	H	α-helix	trans	-75.7	-51.4	172.9	0	0	0	0	0	109.8	K986 S989 Q994 R995 I996 L1046	K986-A992 VanDerWaalsContact O-CB 3.28Å; K986-A992 WeakPolarHBondContact O-CB 3.21Å; S989-A992 PolarHBondContact O-N 3.43Å; S989-A992 WeakPolarHBondContact OG-CB 3.35Å; S989-A992 PolarHBondContact OG-N 3.27Å; A992-Q994 VanDerWaalsContact C-N 3.28Å; A992-Q994 PolarHBondContact O-N 2.96Å; A992-R995 PolarHBondContact O-N 3.48Å; A992-R995 VanDerWaalsContact O-N 3.13Å; A992-I996 HydrophobicContact CB-CD1 4.35Å; A992-I996 WeakPolarHBondContact O-CD1 3.3Å; A992-I996 WeakPolarHBondContact O-CG1 3.41Å; A992-I996 PolarHBondContact O-N 2.69Å; A992-L1046 HydrophobicContact CB-CD1 4.47Å
993	L	87.6	Confident	87	Confident	28 Å²	28	69.5 Å²	69.5	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-57.6	-39.4	-179.5	-68.9	175.3	0	0	0	112.7	V987 S989 G997 I1004 I1006 L1026	V987-L993 VanDerWaalsContact O-CD2 3.26Å; V987-L993 WeakPolarHBondContact O-CD2 3.41Å; V987-L993 WeakPolarHBondContact O-CG 3.28Å; S989-L993 PolarHBondContact O-N 3.43Å; L993-G997 PolarHBondContact O-N 3.17Å; L993-I1004 HydrophobicContact CD2-CB 4.14Å; L993-I1004 HydrophobicContact CD2-CG2 3.59Å; L993-I1006 HydrophobicContact CD1-CD1 3.78Å; L993-I1006 HydrophobicContact CD1-CG1 3.83Å; L993-L1026 HydrophobicContact CD2-CD2 4.31Å
994	Q	86.2	Confident	87.2	Confident	109 Å²	109	70.6 Å²	70.6	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-51.7	173.9	-179.6	170	-12.1	0	0	111.9	K990 A992 I996 G997 E998	K990-Q994 WeakPolarHBondContact O-CB 3.46Å; K990-Q994 PolarHBondContact O-N 2.9Å; A992-Q994 VanDerWaalsContact C-N 3.28Å; A992-Q994 PolarHBondContact O-N 2.96Å; Q994-I996 VanDerWaalsContact C-N 3.35Å; Q994-I996 PolarHBondContact O-N 3.47Å; Q994-G997 PolarHBondContact O-N 2.92Å; Q994-E998 HydrophobicContact CG-CG 4.39Å; Q994-E998 WeakPolarHBondContact CG-OE1 3.43Å; Q994-E998 PolarHBondContact NE2-OE1 2.67Å; Q994-E998 WeakPolarHBondContact O-CB 3.39Å; Q994-E998 WeakPolarHBondContact O-CG 3.38Å; Q994-E998 PolarHBondContact O-N 3.04Å
995	R	88.6	Confident	87.2	Confident	155 Å²	155	72.2 Å²	72.2	59%	0.585	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-39.9	179.5	-81.3	-179.5	-77.7	-176	-13.8	113.2	E991 A992 Y999	E991-R995 WeakPolarHBondContact O-CG 3.16Å; E991-R995 PolarHBondContact O-N 2.83Å; E991-R995 PolarHBondContact O-NE 2.82Å; E991-R995 IonicContact OE2-NH2 2.88Å; A992-R995 PolarHBondContact O-N 3.48Å; A992-R995 VanDerWaalsContact O-N 3.13Å; R995-Y999 VanDerWaalsContact O-CB 3.27Å; R995-Y999 WeakPolarHBondContact O-CB 3.22Å; R995-Y999 PolarHBondContact O-N 3.02Å
996	I	88	Confident	87.4	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-68	-41.8	177.3	-55	157.1	0	0	0	109.5	A992 Q994 Y999 S1000 I1004 A1039 E1042 I1043 L1046	A992-I996 HydrophobicContact CB-CD1 4.35Å; A992-I996 WeakPolarHBondContact O-CD1 3.3Å; A992-I996 WeakPolarHBondContact O-CG1 3.41Å; A992-I996 PolarHBondContact O-N 2.69Å; Q994-I996 VanDerWaalsContact C-N 3.35Å; Q994-I996 PolarHBondContact O-N 3.47Å; I996-Y999 PolarHBondContact O-N 3.37Å; I996-S1000 VanDerWaalsContact O-CB 3.23Å; I996-S1000 WeakPolarHBondContact O-CB 3.34Å; I996-S1000 PolarHBondContact O-N 2.98Å; I996-S1000 PolarHBondContact O-OG 3.33Å; I996-I1004 HydrophobicContact CB-CD1 3.79Å; I996-I1004 HydrophobicContact CG2-CD1 3.47Å; I996-I1004 VanDerWaalsContact CG2-CD1 3.47Å; I996-A1039 HydrophobicContact CG2-CB 4.32Å; I996-E1042 HydrophobicContact CG1-CG 4.04Å; I996-E1042 HydrophobicContact CG2-CB 4.31Å; I996-E1042 HydrophobicContact CG2-CG 4.42Å; I996-I1043 HydrophobicContact CD1-CG1 3.91Å; I996-I1043 HydrophobicContact CG2-CG1 4.32Å; I996-L1046 HydrophobicContact CD1-CD1 3.68Å; I996-L1046 HydrophobicContact CG1-CD1 4.05Å
997	G	87.1	Confident	87.3	Confident	20 Å²	20	68.9 Å²	68.9	21%	0.206	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-44.9	175.7	0	0	0	0	0	113	L993 Q994 S1000 E1001 A1002	L993-G997 PolarHBondContact O-N 3.17Å; Q994-G997 PolarHBondContact O-N 2.92Å; G997-S1000 PolarHBondContact O-N 3.29Å; G997-E1001 PolarHBondContact O-N 3.46Å; G997-A1002 WeakPolarHBondContact CA-O 3.43Å
998	E	88.6	Confident	87.2	Confident	128 Å²	128	70.9 Å²	70.9	60%	0.598	36%	0.355	S	S	*	.	H	α-helix	trans	-63.5	-37.9	175.2	-72.6	168.1	-178	0	0	112.5	Q994	Q994-E998 HydrophobicContact CG-CG 4.39Å; Q994-E998 WeakPolarHBondContact CG-OE1 3.43Å; Q994-E998 PolarHBondContact NE2-OE1 2.67Å; Q994-E998 WeakPolarHBondContact O-CB 3.39Å; Q994-E998 WeakPolarHBondContact O-CG 3.38Å; Q994-E998 PolarHBondContact O-N 3.04Å
999	Y	88.4	Confident	87	Confident	146 Å²	146	73 Å²	73	57%	0.573	37%	0.368	S	S	*	.	H	α-helix	trans	-76.8	-31.8	178.5	175	-105.5	0	0	0	114.2	R995 I996 E1042	R995-Y999 VanDerWaalsContact O-CB 3.27Å; R995-Y999 WeakPolarHBondContact O-CB 3.22Å; R995-Y999 PolarHBondContact O-N 3.02Å; I996-Y999 PolarHBondContact O-N 3.37Å; Y999-E1042 HydrophobicContact CD1-CB 4.5Å
1000	S	87.1	Confident	86.7	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.014	37%	0.374	C	S	.	.	H	α-helix	trans	-104	-15	-170.8	64.3	0	0	0	0	115.2	I996 G997 A1002 A1035	I996-S1000 VanDerWaalsContact O-CB 3.23Å; I996-S1000 WeakPolarHBondContact O-CB 3.34Å; I996-S1000 PolarHBondContact O-N 2.98Å; I996-S1000 PolarHBondContact O-OG 3.33Å; G997-S1000 PolarHBondContact O-N 3.29Å; S1000-A1002 PolarHBondContact O-N 3.01Å; S1000-A1002 PolarHBondContact OG-N 2.83Å; S1000-A1035 WeakPolarHBondContact O-CA 3.39Å; S1000-A1035 WeakPolarHBondContact O-CB 3.41Å
1001	E	87.1	Confident	86.6	Confident	165 Å²	165	69 Å²	69	77%	0.771	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	31.2	-171	-58	172.7	-163.1	0	0	112.9	G997 S1030	G997-E1001 PolarHBondContact O-N 3.46Å; E1001-S1030 PolarHBondContact O-OG 3.4Å
1002	A	88.8	Confident	86	Confident	6 Å²	6	65.3 Å²	65.3	5%	0.05	33%	0.331	C	S	.	.			trans	-119.3	138.3	177	0	0	0	0	0	111.8	G997 S1000 I1028 A1039	G997-A1002 WeakPolarHBondContact CA-O 3.43Å; S1000-A1002 PolarHBondContact O-N 3.01Å; S1000-A1002 PolarHBondContact OG-N 2.83Å; A1002-I1028 HydrophobicContact CB-CG2 3.71Å; A1002-A1039 HydrophobicContact CB-CB 4.05Å
1003	A	86.8	Confident	85.3	Confident	53 Å²	53	70 Å²	70	44%	0.438	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.3	174.8	0	0	0	0	0	109.6	E1029	A1003-E1029 PolarHBondContact N-O 3.39Å; A1003-E1029 PolarHBondContact O-N 3.35Å
1004	I	89.4	Confident	84.4	Confident	24 Å²	24	73 Å²	73	12%	0.123	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.9	-177.4	-50.5	165.2	0	0	0	109.2	L993 I996 L1026 A1027 I1028 A1039 I1043	L993-I1004 HydrophobicContact CD2-CB 4.14Å; L993-I1004 HydrophobicContact CD2-CG2 3.59Å; I996-I1004 HydrophobicContact CB-CD1 3.79Å; I996-I1004 HydrophobicContact CG2-CD1 3.47Å; I996-I1004 VanDerWaalsContact CG2-CD1 3.47Å; I1004-L1026 HydrophobicContact CG2-CB 4.25Å; I1004-L1026 HydrophobicContact CG2-CD2 4.48Å; I1004-A1027 WeakPolarHBondContact CA-O 3.29Å; I1004-I1028 HydrophobicContact CG1-CG1 4.38Å; I1004-I1028 HydrophobicContact CG1-CG2 4.38Å; I1004-I1028 HydrophobicContact CG2-CG1 4.36Å; I1004-A1039 HydrophobicContact CD1-CB 4.34Å; I1004-I1043 HydrophobicContact CD1-CD1 4.35Å
1005	T	86.3	Confident	83.7	Confident	54 Å²	54	74.6 Å²	74.6	33%	0.331	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.4	178.6	62.9	0	0	0	0	111.7	R1007 A1027	T1005-R1007 PolarHBondContact OG1-NE 3.5Å; T1005-R1007 PolarHBondContact OG1-NH2 2.8Å; T1005-A1027 PolarHBondContact N-O 3.36Å; T1005-A1027 PolarHBondContact O-N 2.97Å
1006	I	88.9	Confident	82.7	Confident	77 Å²	77	75.9 Å²	75.9	40%	0.395	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.4	174.1	-50.8	162.8	0	0	0	108.3	T988 L993 I1024 L1026	T988-I1006 HydrophobicContact CG2-CD1 4.13Å; T988-I1006 HydrophobicContact CG2-CG1 4.32Å; T988-I1006 HydrophobicContact CG2-CG2 4.46Å; L993-I1006 HydrophobicContact CD1-CD1 3.78Å; L993-I1006 HydrophobicContact CD1-CG1 3.83Å; I1006-I1024 HydrophobicContact CG2-CD1 3.89Å; I1006-I1024 HydrophobicContact CG2-CG1 4.01Å; I1006-L1026 HydrophobicContact CB-CD2 4.43Å; I1006-L1026 HydrophobicContact CG1-CD2 3.82Å
1007	R	85.3	Confident	82.1	Confident	81 Å²	81	78.4 Å²	78.4	31%	0.306	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158	177.6	-64.5	-177.7	-174.1	159.2	4.8	110.9	E971 T1005 I1024 Y1025 E1029	E971-R1007 IonicContact OE1-CZ 2.67Å; E971-R1007 IonicContact OE1-NH1 2.69Å; E971-R1007 PolarHBondContact OE1-NH1 2.95Å; T1005-R1007 PolarHBondContact OG1-NE 3.5Å; T1005-R1007 PolarHBondContact OG1-NH2 2.8Å; R1007-I1024 WeakPolarHBondContact O-CA 3.41Å; R1007-Y1025 HydrophobicContact CB-CD1 3.97Å; R1007-Y1025 HydrophobicContact CB-CD2 4.36Å; R1007-Y1025 HydrophobicContact CB-CE1 3.4Å; R1007-Y1025 VanDerWaalsContact CB-CE1 3.4Å; R1007-Y1025 HydrophobicContact CB-CE2 3.86Å; R1007-Y1025 HydrophobicContact CB-CG 4.42Å; R1007-Y1025 WeakPolarHBondContact CD-OH 3.42Å; R1007-Y1025 HydrophobicContact CG-CE2 4.46Å; R1007-Y1025 PolarHBondContact N-O 3.22Å; R1007-Y1025 VanDerWaalsContact O-CD1 3.26Å; R1007-Y1025 WeakPolarHBondContact O-CD1 3.21Å; R1007-Y1025 PolarHBondContact O-N 3Å; R1007-Y1025 VanDerWaalsContact O-O 3.12Å; R1007-E1029 IonicContact CZ-OE1 2.9Å; R1007-E1029 IonicContact NH1-OE1 2.69Å; R1007-E1029 IonicContact NH2-OE1 2.73Å; R1007-E1029 PolarHBondContact NH2-OE1 2.99Å
1008	G	84.5	Confident	81.3	Confident	42 Å²	42	85.2 Å²	85.2	43%	0.433	46%	0.457	S	S	.	.	S	Bend	trans	78.3	179.5	-178.4	0	0	0	0	0	114.3	R1022	G1008-R1022 CarbonylContact C-O 3.57Å; G1008-R1022 VanDerWaalsContact CA-O 3.3Å; G1008-R1022 WeakPolarHBondContact CA-O 3.35Å
1009	T	81.6	Confident	79.8	Confident	76 Å²	76	89.1 Å²	89.1	47%	0.466	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-120.8	153	-176.2	42.9	0	0	0	0	111.6	F1011 R1022 K1023 I1024	T1009-F1011 VanDerWaalsContact O-CD2 3.29Å; T1009-F1011 WeakPolarHBondContact O-CD2 3.3Å; T1009-F1011 VanDerWaalsContact OG1-CE2 3.24Å; T1009-F1011 WeakPolarHBondContact OG1-CE2 3.07Å; T1009-R1022 PolarHBondContact N-O 2.96Å; T1009-K1023 CarbonylContact O-C 3.57Å; T1009-K1023 VanDerWaalsContact O-C 3.31Å; T1009-K1023 VanDerWaalsContact O-CA 3.3Å; T1009-K1023 WeakPolarHBondContact O-CA 3.42Å; T1009-I1024 PolarHBondContact O-N 2.86Å
1010	Y	82.6	Confident	78.7	Confident	109 Å²	109	86 Å²	86	43%	0.427	49%	0.488	S	S	.	.			trans	-80.3	126	179.7	167.6	-118.6	0	0	0	111.9	N977	N977-Y1010 WeakPolarHBondContact OD1-CA 3.44Å; N977-Y1010 WeakPolarHBondContact OD1-CD2 3.28Å
1011	F	81.5	Confident	78.2	Confident	26 Å²	26	90.8 Å²	90.8	11%	0.114	51%	0.51	C	S	.	.			trans	-111	129.5	173.3	-68.7	-93.6	0	0	0	110.6	N977 T1009 P1017 E1021 K1023	N977-F1011 PolarHBondContact ND2-O 3.18Å; N977-F1011 PolarHBondContact OD1-N 3.48Å; N977-F1011 PolarHBondContact OD1-O 2.94Å; T1009-F1011 VanDerWaalsContact O-CD2 3.29Å; T1009-F1011 WeakPolarHBondContact O-CD2 3.3Å; T1009-F1011 VanDerWaalsContact OG1-CE2 3.24Å; T1009-F1011 WeakPolarHBondContact OG1-CE2 3.07Å; F1011-P1017 HydrophobicContact CD1-CB 4.32Å; F1011-P1017 HydrophobicContact CD2-CB 4.32Å; F1011-P1017 HydrophobicContact CE1-CB 3.95Å; F1011-P1017 HydrophobicContact CE2-CB 3.94Å; F1011-P1017 HydrophobicContact CZ-CB 3.75Å; F1011-E1021 HydrophobicContact CZ-CB 3.9Å; F1011-E1021 WeakPolarHBondContact CZ-OE2 3.28Å; F1011-K1023 HydrophobicContact CD2-CG 4.1Å
1012	P	76	Confident	77.8	Confident	62 Å²	62	88.3 Å²	88.3	40%	0.403	49%	0.494	S	S	.	.			trans	-58.2	148.1	174.4	-24.9	34.7	0	0	0	112.8	G1014 K1015	P1012-G1014 PolarHBondContact O-N 3.41Å; P1012-K1015 PolarHBondContact O-N 3.03Å
1013	P	71.6	Confident	77.5	Confident	103 Å²	103	90.3 Å²	90.3	67%	0.669	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	136.2	177.3	-28.1	35.2	0	0	0	112.9
1014	G	66.9	Low	77.6	Confident	91 Å²	91	89 Å²	89	94%	0.938	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	10.8	-180	0	0	0	0	0	115.7	P1012	P1012-G1014 PolarHBondContact O-N 3.41Å
1015	K	73.2	Confident	77.6	Confident	144 Å²	144	89.1 Å²	89.1	63%	0.626	49%	0.486	S	S	*	.			trans	-114.7	123.2	167.1	-70.8	-171.6	174.8	-175	0	111.1	P1012	P1012-K1015 PolarHBondContact O-N 3.03Å
1016	E	67.7	Low	77.7	Confident	182 Å²	182	86.6 Å²	86.6	85%	0.85	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-72.9	145.1	171.6	-62.1	-174.4	151.3	0	0	110.6
1017	P	73.8	Confident	77.7	Confident	56 Å²	56	82.9 Å²	82.9	36%	0.364	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-69.6	151.8	176.2	30.7	-35.2	0	0	0	111	F1011	F1011-P1017 HydrophobicContact CD1-CB 4.32Å; F1011-P1017 HydrophobicContact CD2-CB 4.32Å; F1011-P1017 HydrophobicContact CE1-CB 3.95Å; F1011-P1017 HydrophobicContact CE2-CB 3.94Å; F1011-P1017 HydrophobicContact CZ-CB 3.75Å
1018	K	71.7	Confident	77.9	Confident	162 Å²	162	79 Å²	79	70%	0.704	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-72.3	155.2	174.4	-70.1	-178.1	178.4	179.6	0	111	G1020 E1021	K1018-G1020 PolarHBondContact O-N 3.22Å; K1018-E1021 PolarHBondContact O-N 3.22Å
1019	E	56.8	Low	78.1	Confident	210 Å²	210	78.3 Å²	78.3	98%	0.981	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	112.7	179.2	-168.9	168.7	-155.3	0	0	111.5
1020	G	65.7	Low	78.4	Confident	82 Å²	82	75.5 Å²	75.5	85%	0.845	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.5	-21.2	-176.1	0	0	0	0	0	115.6	K1018	K1018-G1020 PolarHBondContact O-N 3.22Å
1021	E	75.6	Confident	78.4	Confident	101 Å²	101	73.7 Å²	73.7	47%	0.472	41%	0.413	S	S	.	.			trans	-90.2	149.5	177.1	-63.9	-178	157.3	0	0	111.6	F1011 K1018	F1011-E1021 HydrophobicContact CZ-CB 3.9Å; F1011-E1021 WeakPolarHBondContact CZ-OE2 3.28Å; K1018-E1021 PolarHBondContact O-N 3.22Å
1022	R	78.4	Confident	78.5	Confident	114 Å²	114	75.1 Å²	75.1	43%	0.43	43%	0.426	S	S	.	.			trans	-124.5	137.2	177.5	-73.3	176	109.6	-152.5	-2.9	110.6	E973 G1008 T1009 Y1025	E973-R1022 IonicContact OE1-CZ 3.28Å; E973-R1022 VanDerWaalsContact OE1-CZ 3.28Å; E973-R1022 IonicContact OE1-NH1 2.68Å; E973-R1022 PolarHBondContact OE1-NH1 3.29Å; E973-R1022 IonicContact OE1-NH2 2.96Å; E973-R1022 PolarHBondContact OE1-NH2 2.87Å; E973-R1022 IonicContact OE2-NH2 3.26Å; E973-R1022 PolarHBondContact OE2-NH2 3Å; G1008-R1022 CarbonylContact C-O 3.57Å; G1008-R1022 VanDerWaalsContact CA-O 3.3Å; G1008-R1022 WeakPolarHBondContact CA-O 3.35Å; T1009-R1022 PolarHBondContact N-O 2.96Å; R1022-Y1025 PolarHBondContact NH1-OH 2.97Å
1023	K	84	Confident	78.9	Confident	47 Å²	47	75.7 Å²	75.7	20%	0.204	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-47.9	153.4	165.9	-81.9	-177.1	170.3	-166.8	0	112	E975 N977 D978 T1009 F1011 Y1025	E975-K1023 HydrophobicContact CG-CB 4.36Å; E975-K1023 HydrophobicContact CG-CD 4.32Å; E975-K1023 WeakPolarHBondContact OE1-CD 3.42Å; E975-K1023 WeakPolarHBondContact OE1-CE 2.96Å; E975-K1023 IonicContact OE1-NZ 3.31Å; E975-K1023 PolarHBondContact OE1-NZ 2.88Å; N977-K1023 HydrophobicContact CB-CB 3.9Å; N977-K1023 HydrophobicContact CB-CD 3.82Å; N977-K1023 HydrophobicContact CB-CG 4.02Å; D978-K1023 WeakPolarHBondContact OD1-CE 3.46Å; D978-K1023 IonicContact OD1-NZ 3.5Å; D978-K1023 PolarHBondContact OD1-NZ 3.35Å; D978-K1023 IonicContact OD2-NZ 3.71Å; D978-K1023 PolarHBondContact OD2-NZ 3.41Å; T1009-K1023 CarbonylContact O-C 3.57Å; T1009-K1023 VanDerWaalsContact O-C 3.31Å; T1009-K1023 VanDerWaalsContact O-CA 3.3Å; T1009-K1023 WeakPolarHBondContact O-CA 3.42Å; F1011-K1023 HydrophobicContact CD2-CG 4.1Å; K1023-Y1025 WeakPolarHBondContact O-CD1 3.3Å
1024	I	88.4	Confident	79.4	Confident	26 Å²	26	75.7 Å²	75.7	13%	0.133	42%	0.417	C	S	.	.			trans	-67.8	129.4	-179.4	-174.6	171.7	0	0	0	112.5	I976 N977 T988 I1006 R1007 T1009	I976-I1024 HydrophobicContact CD1-CD1 4.42Å; I976-I1024 HydrophobicContact CD1-CG1 4.3Å; I976-I1024 HydrophobicContact CG1-CG1 4.23Å; I976-I1024 HydrophobicContact CG1-CG2 4.26Å; I976-I1024 PolarHBondContact N-O 3.49Å; N977-I1024 HydrophobicContact CB-CG2 3.87Å; N977-I1024 PolarHBondContact N-O 3.38Å; T988-I1024 HydrophobicContact CG2-CD1 4.45Å; I1006-I1024 HydrophobicContact CG2-CD1 3.89Å; I1006-I1024 HydrophobicContact CG2-CG1 4.01Å; R1007-I1024 WeakPolarHBondContact O-CA 3.41Å; T1009-I1024 PolarHBondContact O-N 2.86Å
1025	Y	88.5	Confident	80.4	Confident	27 Å²	27	71.7 Å²	71.7	11%	0.106	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.3	-179.7	66.9	-74	0	0	0	111.6	E973 L974 R1007 R1022 K1023 A1027	E973-Y1025 HydrophobicContact CB-CD2 3.88Å; E973-Y1025 HydrophobicContact CB-CE2 4.25Å; E973-Y1025 HydrophobicContact CG-CD2 4.03Å; E973-Y1025 HydrophobicContact CG-CE2 3.87Å; E973-Y1025 WeakPolarHBondContact OE1-CE2 3.31Å; L974-Y1025 CarbonylContact O-C 3.31Å; L974-Y1025 WeakPolarHBondContact O-CA 3.46Å; L974-Y1025 VanDerWaalsContact O-CB 3.29Å; L974-Y1025 WeakPolarHBondContact O-CB 3.37Å; R1007-Y1025 HydrophobicContact CB-CD1 3.97Å; R1007-Y1025 HydrophobicContact CB-CD2 4.36Å; R1007-Y1025 HydrophobicContact CB-CE1 3.4Å; R1007-Y1025 VanDerWaalsContact CB-CE1 3.4Å; R1007-Y1025 HydrophobicContact CB-CE2 3.86Å; R1007-Y1025 HydrophobicContact CB-CG 4.42Å; R1007-Y1025 WeakPolarHBondContact CD-OH 3.42Å; R1007-Y1025 HydrophobicContact CG-CE2 4.46Å; R1007-Y1025 PolarHBondContact N-O 3.22Å; R1007-Y1025 VanDerWaalsContact O-CD1 3.26Å; R1007-Y1025 WeakPolarHBondContact O-CD1 3.21Å; R1007-Y1025 PolarHBondContact O-N 3Å; R1007-Y1025 VanDerWaalsContact O-O 3.12Å; R1022-Y1025 PolarHBondContact NH1-OH 2.97Å; K1023-Y1025 WeakPolarHBondContact O-CD1 3.3Å; Y1025-A1027 HydrophobicContact CD2-CB 4.33Å; Y1025-A1027 HydrophobicContact CE2-CB 4.06Å
1026	L	88.9	Confident	81	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.6	165.4	-59.6	177	0	0	0	107.9	L974 I976 V987 T988 L993 I1004 I1006 I1043	L974-L1026 HydrophobicContact CB-CB 4.48Å; L974-L1026 PolarHBondContact N-O 2.94Å; L974-L1026 PolarHBondContact O-N 3.38Å; I976-L1026 HydrophobicContact CD1-CD2 4.34Å; I976-L1026 HydrophobicContact CD1-CG 4.17Å; I976-L1026 HydrophobicContact CG2-CD1 4.25Å; I976-L1026 HydrophobicContact CG2-CG 4.22Å; V987-L1026 HydrophobicContact CB-CD1 4.37Å; V987-L1026 HydrophobicContact CG2-CD1 4.25Å; T988-L1026 HydrophobicContact CG2-CD2 4.43Å; L993-L1026 HydrophobicContact CD2-CD2 4.31Å; I1004-L1026 HydrophobicContact CG2-CB 4.25Å; I1004-L1026 HydrophobicContact CG2-CD2 4.48Å; I1006-L1026 HydrophobicContact CB-CD2 4.43Å; I1006-L1026 HydrophobicContact CG1-CD2 3.82Å; L1026-I1043 HydrophobicContact CD1-CD1 3.99Å; L1026-I1043 HydrophobicContact CD1-CG1 4.44Å; L1026-I1043 HydrophobicContact CD1-CG2 4.12Å
1027	A	88	Confident	81.8	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.4	170	0	0	0	0	0	108.6	I1004 T1005 Y1025	I1004-A1027 WeakPolarHBondContact CA-O 3.29Å; T1005-A1027 PolarHBondContact N-O 3.36Å; T1005-A1027 PolarHBondContact O-N 2.97Å; Y1025-A1027 HydrophobicContact CD2-CB 4.33Å; Y1025-A1027 HydrophobicContact CE2-CB 4.06Å
1028	I	90.4	Very high	82.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.5	178.7	-52.2	175.6	0	0	0	107.9	E971 E972 L974 A1002 I1004 V1036 A1039 I1043	E971-I1028 CarbonylContact C-O 3.58Å; E971-I1028 VanDerWaalsContact CA-O 3.29Å; E971-I1028 WeakPolarHBondContact CA-O 3.46Å; E972-I1028 PolarHBondContact N-O 2.76Å; E972-I1028 PolarHBondContact O-N 3.45Å; L974-I1028 HydrophobicContact CD1-CD1 3.71Å; L974-I1028 HydrophobicContact CG-CD1 4.25Å; A1002-I1028 HydrophobicContact CB-CG2 3.71Å; I1004-I1028 HydrophobicContact CG1-CG1 4.38Å; I1004-I1028 HydrophobicContact CG1-CG2 4.38Å; I1004-I1028 HydrophobicContact CG2-CG1 4.36Å; I1028-V1036 HydrophobicContact CB-CG1 4.27Å; I1028-V1036 HydrophobicContact CG2-CB 4.32Å; I1028-V1036 HydrophobicContact CG2-CG1 3.95Å; I1028-V1036 HydrophobicContact CG2-CG2 4.24Å; I1028-A1039 HydrophobicContact CD1-CB 4.04Å; I1028-A1039 HydrophobicContact CG2-CB 3.76Å; I1028-I1043 HydrophobicContact CD1-CD1 3.7Å; I1028-I1043 HydrophobicContact CG1-CD1 4.33Å
1029	E	88.3	Confident	83.2	Confident	26 Å²	26	54.8 Å²	54.8	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.9	-177.5	-61	176.2	-177.8	0	0	111.2	R969 Y970 E971 A1003 R1007	R969-E1029 IonicContact CZ-OE2 3.12Å; R969-E1029 IonicContact NH1-OE2 3.24Å; R969-E1029 PolarHBondContact NH1-OE2 2.76Å; R969-E1029 IonicContact NH2-OE2 2.71Å; R969-E1029 PolarHBondContact NH2-OE2 3.47Å; Y970-E1029 WeakPolarHBondContact O-CA 3.35Å; E971-E1029 HydrophobicContact CB-CG 4.42Å; E971-E1029 HydrophobicContact CG-CG 4.02Å; A1003-E1029 PolarHBondContact N-O 3.39Å; A1003-E1029 PolarHBondContact O-N 3.35Å; R1007-E1029 IonicContact CZ-OE1 2.9Å; R1007-E1029 IonicContact NH1-OE1 2.69Å; R1007-E1029 IonicContact NH2-OE1 2.73Å; R1007-E1029 PolarHBondContact NH2-OE1 2.99Å
1030	S	88.9	Confident	84.7	Confident	17 Å²	17	47 Å²	47	12%	0.119	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.8	171.4	-167.3	0	0	0	0	112.4	Y970 E1001 S1032 A1035	Y970-S1030 PolarHBondContact N-O 2.8Å; Y970-S1030 PolarHBondContact O-N 3.24Å; E1001-S1030 PolarHBondContact O-OG 3.4Å; S1030-S1032 VanDerWaalsContact C-N 3.33Å; S1030-S1032 PolarHBondContact OG-N 3.49Å; S1030-A1035 WeakPolarHBondContact OG-CB 3.44Å
1031	A	82.6	Confident	85.6	Confident	72 Å²	72	47.8 Å²	47.8	60%	0.595	25%	0.246	S	C	*	.	S	Bend	trans	-82.9	-11.6	170.7	0	0	0	0	0	112.7
1032	S	83.7	Confident	86.2	Confident	56 Å²	56	45 Å²	45	39%	0.392	23%	0.233	S	C	.	.			trans	-117	131.2	177.7	176.5	0	0	0	0	111.4	S1030 L1034 A1035 V1036	S1030-S1032 VanDerWaalsContact C-N 3.33Å; S1030-S1032 PolarHBondContact OG-N 3.49Å; S1032-L1034 VanDerWaalsContact C-N 3.26Å; S1032-L1034 PolarHBondContact O-N 2.71Å; S1032-L1034 PolarHBondContact OG-N 3.28Å; S1032-A1035 WeakPolarHBondContact O-CB 3.19Å; S1032-A1035 PolarHBondContact O-N 3.04Å; S1032-V1036 PolarHBondContact O-N 3.12Å
1033	E	82.8	Confident	86.6	Confident	74 Å²	74	39.6 Å²	39.6	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-36.9	174.5	-165.4	171	157.9	0	0	112	K845 Y970 A1035 V1036 Q1037	K845-E1033 IonicContact NZ-OE1 3.53Å; K845-E1033 PolarHBondContact NZ-OE1 3.02Å; Y970-E1033 HydrophobicContact CD1-CB 3.83Å; Y970-E1033 HydrophobicContact CD1-CG 3.85Å; Y970-E1033 HydrophobicContact CD2-CB 4.36Å; Y970-E1033 HydrophobicContact CE1-CB 3.63Å; Y970-E1033 HydrophobicContact CE1-CG 3.75Å; Y970-E1033 WeakPolarHBondContact CE1-OE2 3.42Å; Y970-E1033 HydrophobicContact CE2-CB 4.19Å; Y970-E1033 HydrophobicContact CG-CB 4.19Å; Y970-E1033 PolarHBondContact OH-OE2 2.7Å; E1033-A1035 VanDerWaalsContact C-N 3.34Å; E1033-A1035 PolarHBondContact O-N 3.02Å; E1033-V1036 PolarHBondContact O-N 3.17Å; E1033-Q1037 PolarHBondContact O-N 3.38Å
1034	L	83.5	Confident	86.7	Confident	103 Å²	103	38.7 Å²	38.7	54%	0.539	21%	0.211	S	C	.	.	H	α-helix	trans	-71.9	-28.6	-179	-169.1	146	0	0	0	112.1	S1032 K1038	S1032-L1034 VanDerWaalsContact C-N 3.26Å; S1032-L1034 PolarHBondContact O-N 2.71Å; S1032-L1034 PolarHBondContact OG-N 3.28Å; L1034-K1038 HydrophobicContact CD2-CD 4.07Å; L1034-K1038 HydrophobicContact CD2-CG 4.39Å; L1034-K1038 WeakPolarHBondContact O-CG 2.78Å; L1034-K1038 PolarHBondContact O-N 3.49Å
1035	A	87.3	Confident	86.7	Confident	6 Å²	6	42.6 Å²	42.6	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-46.1	170.4	0	0	0	0	0	111.6	S1000 S1030 S1032 E1033 Q1037 K1038 A1039	S1000-A1035 WeakPolarHBondContact O-CA 3.39Å; S1000-A1035 WeakPolarHBondContact O-CB 3.41Å; S1030-A1035 WeakPolarHBondContact OG-CB 3.44Å; S1032-A1035 WeakPolarHBondContact O-CB 3.19Å; S1032-A1035 PolarHBondContact O-N 3.04Å; E1033-A1035 VanDerWaalsContact C-N 3.34Å; E1033-A1035 PolarHBondContact O-N 3.02Å; A1035-Q1037 VanDerWaalsContact C-N 3.33Å; A1035-Q1037 PolarHBondContact O-N 3.19Å; A1035-K1038 PolarHBondContact O-N 3.37Å; A1035-A1039 PolarHBondContact O-N 3.48Å
1036	V	85.6	Confident	86.6	Confident	4 Å²	4	42 Å²	42	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-41.2	176	179.7	0	0	0	0	111.3	E972 I1028 S1032 E1033 A1039 K1040	E972-V1036 HydrophobicContact CB-CG1 3.66Å; I1028-V1036 HydrophobicContact CB-CG1 4.27Å; I1028-V1036 HydrophobicContact CG2-CB 4.32Å; I1028-V1036 HydrophobicContact CG2-CG1 3.95Å; I1028-V1036 HydrophobicContact CG2-CG2 4.24Å; S1032-V1036 PolarHBondContact O-N 3.12Å; E1033-V1036 PolarHBondContact O-N 3.17Å; V1036-A1039 PolarHBondContact O-N 3.17Å; V1036-K1040 PolarHBondContact O-N 2.66Å
1037	Q	84.9	Confident	86.5	Confident	99 Å²	99	42 Å²	42	46%	0.463	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-47.8	174.9	-74.7	-178.7	-31.8	0	0	112.6	E1033 A1035 A1039 K1040 T1041	E1033-Q1037 PolarHBondContact O-N 3.38Å; A1035-Q1037 VanDerWaalsContact C-N 3.33Å; A1035-Q1037 PolarHBondContact O-N 3.19Å; Q1037-A1039 VanDerWaalsContact C-N 3.3Å; Q1037-A1039 PolarHBondContact O-N 2.99Å; Q1037-K1040 WeakPolarHBondContact O-CB 3.43Å; Q1037-K1040 PolarHBondContact O-N 3.04Å; Q1037-K1040 VanDerWaalsContact O-N 3.17Å; Q1037-T1041 PolarHBondContact O-N 3.22Å; Q1037-T1041 PolarHBondContact O-OG1 3.27Å; Q1037-T1041 VanDerWaalsContact O-OG1 3.1Å
1038	K	87.1	Confident	86.2	Confident	87 Å²	87	43.5 Å²	43.5	38%	0.378	23%	0.23	S	C	.	.	H	α-helix	trans	-54.6	-45.4	174.5	-79.8	175	170.5	-178.6	0	112.3	L1034 A1035 T1041 E1042	L1034-K1038 HydrophobicContact CD2-CD 4.07Å; L1034-K1038 HydrophobicContact CD2-CG 4.39Å; L1034-K1038 WeakPolarHBondContact O-CG 2.78Å; L1034-K1038 PolarHBondContact O-N 3.49Å; A1035-K1038 PolarHBondContact O-N 3.37Å; K1038-T1041 PolarHBondContact O-N 3.19Å; K1038-E1042 PolarHBondContact O-N 3.26Å; K1038-E1042 VanDerWaalsContact O-N 3.15Å
1039	A	87.4	Confident	85.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-45.6	177.7	0	0	0	0	0	111.8	I996 A1002 I1004 I1028 A1035 V1036 Q1037 E1042 I1043	I996-A1039 HydrophobicContact CG2-CB 4.32Å; A1002-A1039 HydrophobicContact CB-CB 4.05Å; I1004-A1039 HydrophobicContact CD1-CB 4.34Å; I1028-A1039 HydrophobicContact CD1-CB 4.04Å; I1028-A1039 HydrophobicContact CG2-CB 3.76Å; A1035-A1039 PolarHBondContact O-N 3.48Å; V1036-A1039 PolarHBondContact O-N 3.17Å; Q1037-A1039 VanDerWaalsContact C-N 3.3Å; Q1037-A1039 PolarHBondContact O-N 2.99Å; A1039-E1042 PolarHBondContact O-N 3.41Å; A1039-I1043 WeakPolarHBondContact O-CD1 3.28Å; A1039-I1043 VanDerWaalsContact O-CG1 3.25Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.27Å; A1039-I1043 PolarHBondContact O-N 2.71Å
1040	K	88.2	Confident	85.6	Confident	46 Å²	46	46.1 Å²	46.1	20%	0.2	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-48.6	175.8	-178.4	175.4	-171.8	170	0	111.7	S843 E972 L974 V1036 Q1037 E1042 I1043 T1044	S843-K1040 PolarHBondContact OG-NZ 2.95Å; E972-K1040 WeakPolarHBondContact OE1-CD 3.46Å; E972-K1040 WeakPolarHBondContact OE1-CE 3.27Å; E972-K1040 IonicContact OE1-NZ 2.67Å; E972-K1040 PolarHBondContact OE1-NZ 3.01Å; L974-K1040 HydrophobicContact CD1-CB 4.42Å; L974-K1040 HydrophobicContact CD1-CG 4.12Å; L974-K1040 HydrophobicContact CD2-CD 4.16Å; L974-K1040 HydrophobicContact CD2-CG 4.22Å; V1036-K1040 PolarHBondContact O-N 2.66Å; Q1037-K1040 WeakPolarHBondContact O-CB 3.43Å; Q1037-K1040 PolarHBondContact O-N 3.04Å; Q1037-K1040 VanDerWaalsContact O-N 3.17Å; K1040-E1042 PolarHBondContact O-N 2.79Å; K1040-I1043 PolarHBondContact O-N 2.9Å; K1040-T1044 PolarHBondContact O-N 3.38Å; K1040-T1044 PolarHBondContact O-OG1 3.28Å; K1040-T1044 VanDerWaalsContact O-OG1 3.07Å
1041	T	85.8	Confident	85.1	Confident	98 Å²	98	46.5 Å²	46.5	60%	0.601	24%	0.242	S	C	*	.	H	α-helix	trans	-59.8	-43.3	-179.1	-54.2	0	0	0	0	112.3	Q1037 K1038 T1044 R1045	Q1037-T1041 PolarHBondContact O-N 3.22Å; Q1037-T1041 PolarHBondContact O-OG1 3.27Å; Q1037-T1041 VanDerWaalsContact O-OG1 3.1Å; K1038-T1041 PolarHBondContact O-N 3.19Å; T1041-T1044 WeakPolarHBondContact O-CB 3.39Å; T1041-T1044 PolarHBondContact O-N 2.68Å; T1041-R1045 PolarHBondContact O-N 2.96Å
1042	E	87	Confident	84.9	Confident	43 Å²	43	45.9 Å²	45.9	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-73.2	-33.5	179.7	-176.6	59.8	-166.7	0	0	112.7	I996 Y999 K1038 A1039 K1040 R1045 L1046	I996-E1042 HydrophobicContact CG1-CG 4.04Å; I996-E1042 HydrophobicContact CG2-CB 4.31Å; I996-E1042 HydrophobicContact CG2-CG 4.42Å; Y999-E1042 HydrophobicContact CD1-CB 4.5Å; K1038-E1042 PolarHBondContact O-N 3.26Å; K1038-E1042 VanDerWaalsContact O-N 3.15Å; A1039-E1042 PolarHBondContact O-N 3.41Å; K1040-E1042 PolarHBondContact O-N 2.79Å; E1042-R1045 VanDerWaalsContact CD-NE 3.34Å; E1042-R1045 PolarHBondContact O-N 2.88Å; E1042-R1045 IonicContact OE1-CZ 3.94Å; E1042-R1045 IonicContact OE1-NE 2.7Å; E1042-R1045 PolarHBondContact OE1-NE 3.16Å; E1042-R1045 VanDerWaalsContact OE1-NE 3.16Å; E1042-R1045 IonicContact OE1-NH2 2.65Å; E1042-R1045 PolarHBondContact OE1-NH2 2.86Å; E1042-R1045 WeakPolarHBondContact OE2-CD 3.37Å; E1042-R1045 IonicContact OE2-CZ 2.82Å; E1042-R1045 IonicContact OE2-NE 2.71Å; E1042-R1045 PolarHBondContact OE2-NE 3.32Å; E1042-R1045 IonicContact OE2-NH2 2.79Å; E1042-L1046 WeakPolarHBondContact O-CG 3.46Å; E1042-L1046 PolarHBondContact O-N 3.03Å
1043	I	87.9	Confident	84.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-46.9	169.5	-69.9	163	0	0	0	110.4	F841 L974 V987 I996 I1004 L1026 I1028 A1039 K1040 R1045 L1046 I1047	F841-I1043 HydrophobicContact CZ-CG2 4.32Å; L974-I1043 HydrophobicContact CD1-CD1 4.11Å; L974-I1043 HydrophobicContact CD1-CG2 4.21Å; V987-I1043 HydrophobicContact CG1-CG2 4.26Å; I996-I1043 HydrophobicContact CD1-CG1 3.91Å; I996-I1043 HydrophobicContact CG2-CG1 4.32Å; I1004-I1043 HydrophobicContact CD1-CD1 4.35Å; L1026-I1043 HydrophobicContact CD1-CD1 3.99Å; L1026-I1043 HydrophobicContact CD1-CG1 4.44Å; L1026-I1043 HydrophobicContact CD1-CG2 4.12Å; I1028-I1043 HydrophobicContact CD1-CD1 3.7Å; I1028-I1043 HydrophobicContact CG1-CD1 4.33Å; A1039-I1043 WeakPolarHBondContact O-CD1 3.28Å; A1039-I1043 VanDerWaalsContact O-CG1 3.25Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.27Å; A1039-I1043 PolarHBondContact O-N 2.71Å; K1040-I1043 PolarHBondContact O-N 2.9Å; I1043-R1045 VanDerWaalsContact C-N 3.34Å; I1043-R1045 PolarHBondContact O-N 2.96Å; I1043-L1046 PolarHBondContact O-N 3.28Å; I1043-I1047 PolarHBondContact O-N 2.74Å; I1043-I1047 VanDerWaalsContact O-N 3.09Å
1044	T	85.7	Confident	84.2	Confident	28 Å²	28	49.4 Å²	49.4	17%	0.172	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-45.8	175	-63	0	0	0	0	111.2	I837 F841 K1040 T1041 L1046 I1047 K1048	I837-T1044 HydrophobicContact CG2-CG2 3.94Å; F841-T1044 HydrophobicContact CE2-CG2 4.34Å; F841-T1044 WeakPolarHBondContact CE2-OG1 3.44Å; K1040-T1044 PolarHBondContact O-N 3.38Å; K1040-T1044 PolarHBondContact O-OG1 3.28Å; K1040-T1044 VanDerWaalsContact O-OG1 3.07Å; T1041-T1044 WeakPolarHBondContact O-CB 3.39Å; T1041-T1044 PolarHBondContact O-N 2.68Å; T1044-L1046 PolarHBondContact O-N 2.84Å; T1044-I1047 PolarHBondContact O-N 3.01Å; T1044-K1048 PolarHBondContact O-N 2.91Å
1045	R	87.7	Confident	83.4	Confident	109 Å²	109	50.7 Å²	50.7	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-58.7	-44.5	178.4	-162.7	-165.7	66.2	66.7	3.9	112.2	T1041 E1042 I1043 K1048 E1049	T1041-R1045 PolarHBondContact O-N 2.96Å; E1042-R1045 VanDerWaalsContact CD-NE 3.34Å; E1042-R1045 PolarHBondContact O-N 2.88Å; E1042-R1045 IonicContact OE1-CZ 3.94Å; E1042-R1045 IonicContact OE1-NE 2.7Å; E1042-R1045 PolarHBondContact OE1-NE 3.16Å; E1042-R1045 VanDerWaalsContact OE1-NE 3.16Å; E1042-R1045 IonicContact OE1-NH2 2.65Å; E1042-R1045 PolarHBondContact OE1-NH2 2.86Å; E1042-R1045 WeakPolarHBondContact OE2-CD 3.37Å; E1042-R1045 IonicContact OE2-CZ 2.82Å; E1042-R1045 IonicContact OE2-NE 2.71Å; E1042-R1045 PolarHBondContact OE2-NE 3.32Å; E1042-R1045 IonicContact OE2-NH2 2.79Å; I1043-R1045 VanDerWaalsContact C-N 3.34Å; I1043-R1045 PolarHBondContact O-N 2.96Å; R1045-K1048 PolarHBondContact O-N 2.87Å; R1045-E1049 IonicContact CZ-OE2 2.63Å; R1045-E1049 IonicContact NH1-OE2 2.61Å; R1045-E1049 PolarHBondContact NH1-OE2 3.37Å; R1045-E1049 IonicContact NH2-OE2 2.77Å; R1045-E1049 WeakPolarHBondContact O-CB 3.45Å; R1045-E1049 PolarHBondContact O-N 3.46Å
1046	L	86.8	Confident	82.5	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-32	178.8	-72.1	168.5	0	0	0	113.3	V987 A992 I996 E1042 I1043 T1044 E1050	V987-L1046 HydrophobicContact CG1-CB 4.01Å; A992-L1046 HydrophobicContact CB-CD1 4.47Å; I996-L1046 HydrophobicContact CD1-CD1 3.68Å; I996-L1046 HydrophobicContact CG1-CD1 4.05Å; E1042-L1046 WeakPolarHBondContact O-CG 3.46Å; E1042-L1046 PolarHBondContact O-N 3.03Å; I1043-L1046 PolarHBondContact O-N 3.28Å; T1044-L1046 PolarHBondContact O-N 2.84Å; L1046-E1050 PolarHBondContact O-N 3.49Å
1047	I	86	Confident	81.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-43.6	171.3	-67.7	-172	0	0	0	110.6	I837 F841 F979 A983 V987 I1043 T1044 E1049 E1050 L1051	I837-I1047 HydrophobicContact CD1-CG2 4.4Å; I837-I1047 HydrophobicContact CG1-CG2 4.37Å; F841-I1047 HydrophobicContact CE1-CD1 4.31Å; F841-I1047 HydrophobicContact CZ-CD1 3.79Å; F979-I1047 HydrophobicContact CD1-CD1 4.31Å; F979-I1047 HydrophobicContact CD1-CG2 3.56Å; F979-I1047 HydrophobicContact CD2-CD1 4.21Å; F979-I1047 HydrophobicContact CE1-CD1 4.33Å; F979-I1047 HydrophobicContact CE1-CG2 3.59Å; F979-I1047 HydrophobicContact CE2-CD1 4.23Å; F979-I1047 HydrophobicContact CG-CD1 4.24Å; F979-I1047 HydrophobicContact CG-CG2 4.37Å; F979-I1047 HydrophobicContact CZ-CD1 4.29Å; F979-I1047 HydrophobicContact CZ-CG2 4.42Å; A983-I1047 HydrophobicContact CB-CG2 4.5Å; V987-I1047 HydrophobicContact CG1-CD1 4.31Å; V987-I1047 HydrophobicContact CG1-CG1 3.65Å; V987-I1047 HydrophobicContact CG2-CD1 4.38Å; V987-I1047 HydrophobicContact CG2-CG1 4.48Å; I1043-I1047 PolarHBondContact O-N 2.74Å; I1043-I1047 VanDerWaalsContact O-N 3.09Å; T1044-I1047 PolarHBondContact O-N 3.01Å; I1047-E1049 PolarHBondContact O-N 3.1Å; I1047-E1050 PolarHBondContact O-N 3.11Å; I1047-L1051 HydrophobicContact CG2-CD1 3.7Å; I1047-L1051 HydrophobicContact CG2-CG 4.14Å; I1047-L1051 WeakPolarHBondContact O-CB 3.41Å; I1047-L1051 WeakPolarHBondContact O-CG 3.33Å; I1047-L1051 PolarHBondContact O-N 3.4Å
1048	K	81.6	Confident	79.2	Confident	30 Å²	30	63.6 Å²	63.6	13%	0.13	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-45.8	176.6	-163.6	178.6	-169.7	-177.5	0	111.7	A830 I833 E834 I837 T1044 R1045 E1050 L1051 I1052	A830-K1048 WeakPolarHBondContact O-CE 3.43Å; A830-K1048 PolarHBondContact O-NZ 3.1Å; I833-K1048 HydrophobicContact CG2-CG 4.16Å; E834-K1048 VanDerWaalsContact OE1-CD 3.32Å; E834-K1048 WeakPolarHBondContact OE1-CD 3.23Å; E834-K1048 WeakPolarHBondContact OE1-CE 3.43Å; E834-K1048 IonicContact OE1-NZ 3.41Å; E834-K1048 PolarHBondContact OE1-NZ 2.9Å; E834-K1048 IonicContact OE2-NZ 3.77Å; E834-K1048 PolarHBondContact OE2-NZ 2.9Å; I837-K1048 HydrophobicContact CD1-CB 3.63Å; I837-K1048 HydrophobicContact CD1-CG 3.85Å; T1044-K1048 PolarHBondContact O-N 2.91Å; R1045-K1048 PolarHBondContact O-N 2.87Å; K1048-E1050 PolarHBondContact O-N 2.87Å; K1048-L1051 PolarHBondContact O-N 3.21Å; K1048-I1052 HydrophobicContact CG-CD1 3.96Å; K1048-I1052 WeakPolarHBondContact O-CB 3.35Å; K1048-I1052 VanDerWaalsContact O-CG1 3.31Å; K1048-I1052 WeakPolarHBondContact O-CG1 3.33Å; K1048-I1052 PolarHBondContact O-N 2.78Å
1049	E	83.2	Confident	77.1	Confident	75 Å²	75	66.9 Å²	66.9	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-56.2	-48.9	176.1	-170.3	-170.4	113.6	0	0	112	K986 R1045 I1047 R1053	K986-E1049 IonicContact NZ-OE1 3.93Å; K986-E1049 PolarHBondContact NZ-OE1 3.1Å; R1045-E1049 IonicContact CZ-OE2 2.63Å; R1045-E1049 IonicContact NH1-OE2 2.61Å; R1045-E1049 PolarHBondContact NH1-OE2 3.37Å; R1045-E1049 IonicContact NH2-OE2 2.77Å; R1045-E1049 WeakPolarHBondContact O-CB 3.45Å; R1045-E1049 PolarHBondContact O-N 3.46Å; I1047-E1049 PolarHBondContact O-N 3.1Å; E1049-R1053 WeakPolarHBondContact O-CB 3.45Å; E1049-R1053 PolarHBondContact O-N 2.98Å
1050	E	83.2	Confident	74.7	Confident	7 Å²	7	73 Å²	73	3%	0.033	36%	0.356	C	S	.	.	H	α-helix	trans	-76.7	-27.8	-178.4	-165.5	64.3	-141.1	0	0	113.1	A983 K986 L1046 I1047 K1048 R1053 L1054	A983-E1050 HydrophobicContact CB-CB 4.29Å; A983-E1050 HydrophobicContact CB-CG 4.28Å; K986-E1050 IonicContact NZ-OE2 3.75Å; L1046-E1050 PolarHBondContact O-N 3.49Å; I1047-E1050 PolarHBondContact O-N 3.11Å; K1048-E1050 PolarHBondContact O-N 2.87Å; E1050-R1053 PolarHBondContact O-N 3.18Å; E1050-R1053 IonicContact OE1-CZ 3.84Å; E1050-R1053 VanDerWaalsContact OE1-CZ 3.24Å; E1050-R1053 IonicContact OE1-NE 3.35Å; E1050-R1053 PolarHBondContact OE1-NE 2.99Å; E1050-R1053 IonicContact OE1-NH2 2.87Å; E1050-R1053 PolarHBondContact OE1-NH2 3.38Å; E1050-R1053 IonicContact OE2-CZ 3.76Å; E1050-R1053 IonicContact OE2-NE 2.84Å; E1050-R1053 PolarHBondContact OE2-NE 2.98Å; E1050-R1053 IonicContact OE2-NH2 3.77Å; E1050-R1053 PolarHBondContact OE2-NH2 3.38Å; E1050-L1054 WeakPolarHBondContact O-CB 3.41Å; E1050-L1054 WeakPolarHBondContact O-CG 3.45Å; E1050-L1054 PolarHBondContact O-N 3.04Å
1051	L	79.6	Confident	72.2	Confident	24 Å²	24	75.9 Å²	75.9	13%	0.126	38%	0.378	C	S	.	.	H	α-helix	trans	-69.5	-46.2	172.3	-77.4	175.8	0	0	0	112.1	I837 F979 P980 I1047 K1048 R1053 L1054 Q1055	I837-L1051 HydrophobicContact CD1-CD1 3.83Å; I837-L1051 HydrophobicContact CG1-CD1 3.61Å; F979-L1051 HydrophobicContact CD1-CD1 4.38Å; P980-L1051 HydrophobicContact CG-CD2 3.72Å; I1047-L1051 HydrophobicContact CG2-CD1 3.7Å; I1047-L1051 HydrophobicContact CG2-CG 4.14Å; I1047-L1051 WeakPolarHBondContact O-CB 3.41Å; I1047-L1051 WeakPolarHBondContact O-CG 3.33Å; I1047-L1051 PolarHBondContact O-N 3.4Å; K1048-L1051 PolarHBondContact O-N 3.21Å; L1051-R1053 VanDerWaalsContact C-N 3.25Å; L1051-R1053 PolarHBondContact O-N 3.47Å; L1051-L1054 HydrophobicContact CD2-CD1 4.39Å; L1051-L1054 WeakPolarHBondContact O-CB 3.34Å; L1051-L1054 PolarHBondContact O-N 3.38Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.19Å; L1051-Q1055 PolarHBondContact O-N 3.17Å
1052	I	77.4	Confident	69.6	Low	60 Å²	60	76.8 Å²	76.8	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-40.1	172.9	-69.3	167.4	0	0	0	110	I833 K1048 Q1055 N1056	I833-I1052 HydrophobicContact CD1-CG1 3.75Å; K1048-I1052 HydrophobicContact CG-CD1 3.96Å; K1048-I1052 WeakPolarHBondContact O-CB 3.35Å; K1048-I1052 VanDerWaalsContact O-CG1 3.31Å; K1048-I1052 WeakPolarHBondContact O-CG1 3.33Å; K1048-I1052 PolarHBondContact O-N 2.78Å; I1052-Q1055 PolarHBondContact O-N 3.22Å; I1052-N1056 WeakPolarHBondContact O-CB 3.34Å; I1052-N1056 PolarHBondContact O-N 3.32Å; I1052-N1056 PolarHBondContact O-ND2 2.86Å
1053	R	77.9	Confident	67.1	Low	157 Å²	157	84.2 Å²	84.2	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-63	-42.8	175.2	-160.3	174.2	82.7	123	1.5	112.5	E1049 E1050 L1051 S1057	E1049-R1053 WeakPolarHBondContact O-CB 3.45Å; E1049-R1053 PolarHBondContact O-N 2.98Å; E1050-R1053 PolarHBondContact O-N 3.18Å; E1050-R1053 IonicContact OE1-CZ 3.84Å; E1050-R1053 VanDerWaalsContact OE1-CZ 3.24Å; E1050-R1053 IonicContact OE1-NE 3.35Å; E1050-R1053 PolarHBondContact OE1-NE 2.99Å; E1050-R1053 IonicContact OE1-NH2 2.87Å; E1050-R1053 PolarHBondContact OE1-NH2 3.38Å; E1050-R1053 IonicContact OE2-CZ 3.76Å; E1050-R1053 IonicContact OE2-NE 2.84Å; E1050-R1053 PolarHBondContact OE2-NE 2.98Å; E1050-R1053 IonicContact OE2-NH2 3.77Å; E1050-R1053 PolarHBondContact OE2-NH2 3.38Å; L1051-R1053 VanDerWaalsContact C-N 3.25Å; L1051-R1053 PolarHBondContact O-N 3.47Å; R1053-S1057 WeakPolarHBondContact O-CB 3.39Å; R1053-S1057 PolarHBondContact O-N 3.3Å
1054	L	74	Confident	64.6	Low	47 Å²	47	87.4 Å²	87.4	25%	0.246	45%	0.453	C	S	.	.	H	α-helix	trans	-61.4	-47.9	174	-82.1	171.6	0	0	0	112	P980 T982 E1050 L1051 N1056 S1057 Y1058	P980-L1054 HydrophobicContact CB-CD1 3.58Å; P980-L1054 HydrophobicContact CG-CD1 3.94Å; T982-L1054 WeakPolarHBondContact OG1-CD1 3.21Å; E1050-L1054 WeakPolarHBondContact O-CB 3.41Å; E1050-L1054 WeakPolarHBondContact O-CG 3.45Å; E1050-L1054 PolarHBondContact O-N 3.04Å; L1051-L1054 HydrophobicContact CD2-CD1 4.39Å; L1051-L1054 WeakPolarHBondContact O-CB 3.34Å; L1051-L1054 PolarHBondContact O-N 3.38Å; L1054-N1056 VanDerWaalsContact C-N 3.35Å; L1054-N1056 PolarHBondContact O-N 3.08Å; L1054-S1057 WeakPolarHBondContact CA-OG 3.36Å; L1054-S1057 PolarHBondContact O-N 2.93Å; L1054-S1057 PolarHBondContact O-OG 2.92Å; L1054-Y1058 PolarHBondContact O-N 3.13Å
1055	Q	67.8	Low	62.3	Low	130 Å²	130	97.4 Å²	97.4	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-61.5	-42.3	-179.1	-172.3	171.5	-3.6	0	0	111.7	I833 L1051 I1052 S1057 Y1058	I833-Q1055 VanDerWaalsContact CD1-OE1 3.29Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.19Å; L1051-Q1055 PolarHBondContact O-N 3.17Å; I1052-Q1055 PolarHBondContact O-N 3.22Å; Q1055-S1057 VanDerWaalsContact C-N 3.32Å; Q1055-S1057 PolarHBondContact O-N 3.01Å; Q1055-Y1058 PolarHBondContact O-N 3Å
1056	N	66.6	Low	59.6	Low	104 Å²	104	102.9 Å²	102.9	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-71.6	-22	174	-75.5	-41.7	0	0	0	113.8	I1052 L1054 Y1058	I1052-N1056 WeakPolarHBondContact O-CB 3.34Å; I1052-N1056 PolarHBondContact O-N 3.32Å; I1052-N1056 PolarHBondContact O-ND2 2.86Å; L1054-N1056 VanDerWaalsContact C-N 3.35Å; L1054-N1056 PolarHBondContact O-N 3.08Å; N1056-Y1058 VanDerWaalsContact C-N 3.34Å
1057	S	60.1	Low	57.3	Low	75 Å²	75	111.8 Å²	111.8	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-80.8	-9.4	176.1	76.5	0	0	0	0	114.5	R1053 L1054 Q1055 Q1059	R1053-S1057 WeakPolarHBondContact O-CB 3.39Å; R1053-S1057 PolarHBondContact O-N 3.3Å; L1054-S1057 WeakPolarHBondContact CA-OG 3.36Å; L1054-S1057 PolarHBondContact O-N 2.93Å; L1054-S1057 PolarHBondContact O-OG 2.92Å; Q1055-S1057 VanDerWaalsContact C-N 3.32Å; Q1055-S1057 PolarHBondContact O-N 3.01Å; S1057-Q1059 PolarHBondContact O-N 3.35Å
1058	Y	43	Very low	54.9	Low	200 Å²	200	117.5 Å²	117.5	78%	0.784	58%	0.583	S	S	*	*			trans	-80.7	53.3	-168.3	-134.1	-91.7	0	0	0	114.1	L1054 Q1055 N1056	L1054-Y1058 PolarHBondContact O-N 3.13Å; Q1055-Y1058 PolarHBondContact O-N 3Å; N1056-Y1058 VanDerWaalsContact C-N 3.34Å
1059	Q	41.5	Very low	52.5	Low	156 Å²	156	127.3 Å²	127.3	73%	0.729	64%	0.635	S	S	*	*			trans	-62.7	132.2	163.8	-70.2	-172.6	-7.7	0	0	109.9	S1057 T1061	S1057-Q1059 PolarHBondContact O-N 3.35Å; Q1059-T1061 VanDerWaalsContact C-N 3.29Å; Q1059-T1061 PolarHBondContact O-N 3.15Å
1060	P	37.9	Very low	51	Low	128 Å²	128	130 Å²	130	83%	0.831	65%	0.649	S	S	*	*			trans	-74.4	81.8	175.3	30.3	-34.2	0	0	0	110.6	S1062	P1060-S1062 PolarHBondContact O-N 2.67Å; P1060-S1062 VanDerWaalsContact O-N 3.12Å
1061	T	34.5	Very low	49.3	Very low	107 Å²	107	136.4 Å²	136.4	66%	0.656	68%	0.682	S	S	*	*			trans	-57.8	117	172.9	58	0	0	0	0	109.8	Q1059 K1063	Q1059-T1061 VanDerWaalsContact C-N 3.29Å; Q1059-T1061 PolarHBondContact O-N 3.15Å; T1061-K1063 PolarHBondContact O-N 3.03Å
1062	S	31.5	Very low	47.6	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	71%	0.713	S	S	*	*			trans	-56.7	109.4	-176.8	-178.3	0	0	0	0	111.8	P1060 G1064	P1060-S1062 PolarHBondContact O-N 2.67Å; P1060-S1062 VanDerWaalsContact O-N 3.12Å; S1062-G1064 PolarHBondContact O-N 2.87Å
1063	K	34.8	Very low	45.8	Very low	199 Å²	199	147.5 Å²	147.5	87%	0.865	74%	0.737	S	S	*	*			trans	-81.6	61.3	174.7	-77	-174.4	177.9	173.3	0	111.3	T1061 R1065	T1061-K1063 PolarHBondContact O-N 3.03Å; K1063-R1065 PolarHBondContact O-N 3.4Å; K1063-R1065 VanDerWaalsContact O-N 3.11Å
1064	G	36.2	Very low	43.8	Very low	66 Å²	66	146.9 Å²	146.9	68%	0.68	75%	0.746	S	S	*	*			trans	-66.2	103.8	165.8	0	0	0	0	0	110.7	S1062	S1062-G1064 PolarHBondContact O-N 2.87Å
1065	R	37.3	Very low	41.8	Very low	239 Å²	239	153.6 Å²	153.6	90%	0.902	78%	0.779	S	S	*	*			trans	-137.7	122.9	160.4	-73.5	-166.4	-173.9	-178.9	3.6	110.3	K1063	K1063-R1065 PolarHBondContact O-N 3.4Å; K1063-R1065 VanDerWaalsContact O-N 3.11Å
1066	Y	31.1	Very low	40	Very low	223 Å²	223	155.3 Å²	155.3	88%	0.875	79%	0.791	S	S	*	*			trans	-56.8	149.3	161.6	-79.3	-107.9	0	0	0	110.1
1067	K	38	Very low	37.9	Very low	202 Å²	202	159.2 Å²	159.2	88%	0.878	81%	0.809	S	S	*	*			trans	-125.9	111.9	156.4	-164.2	180	-175.8	-173.3	0	107.3
1068	V	36.2	Very low	36.1	Very low	121 Å²	121	166.3 Å²	166.3	73%	0.733	83%	0.833	S	S	*	*			trans	-86	133.7	177.2	-179.9	0	0	0	0	109
1069	L	30.7	Very low	35.4	Very low	236 Å²	236	163.2 Å²	163.2	100%	1.236	84%	0.837	S	S	*	*			trans	-135.1	0	143.9	-83.5	175.5	0	0	0	106.4

Retrieved 1,069 of 1,069 residues in 1621.1 ms (Link to these results)

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