A0A3Q0KPR9_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KPR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 906 aa.

						>A0A3Q0KPR9_SCHMA|A0A3Q0KPR9
MKLDATVLTNLSGNSPPLTTCTTLHTTTETIKTDFETSQFITVDQPTLLKNFKTPRQNQEPIGSFAGSRIDQSTNYLNKQPQTQEFPLMTQPISSVTMKPVQNIPVHPHTEVSNPVGYIHSSTVPGLGSMIPIASRTVNNNVNFNSPTKANQSETPGLVLDGKSYEPEELLNLIERLRQDIRGYTDHIRWLEQELSQTRITLNARDRDIDKLKSVLDQKLHNNNVAQLPIYPVTPISDTSRQTIKQNTLNVTGITPTLNATGMPESIGQQMSADKLRTKKQGVSGESFTGDQLSGLVHHDKDTWSSSLIRDAISNNTFLKHLEPSQIEEIVACMYKKQIPHGCFIIREGEPGDALYVVSDGVLEVYKDNTLLGRMEVGRAFGELALLYNCKRTASVRAVTNASAWTLDRRVFQQIMMSTCIHKQQENMKFLKSVPALKDLSSEKMKKLADVLEPVFYEPGEYIIREGELGETFFIIKSGKVRVTHTIDGTDETKEIRQLTDGDWFGERALYTCEKRSANVISAEGGVHLLSLDRSNFIYLIGDLNEFKSKTYDDINRPSTGIIPINHQQSGKYLDKEETVSTPQTVEERQSKDSLSFAKIDKDDLERITVLGVGGFGCVELVAWTKNRNKTFALKRMKKQHIVHTRQQEHICSERQIMLELRCPFICRLYCTYKDNKFVYMLLEACLGGELWTVLRNKGRFDDVMTRFVIACVLEAFTYLHTQGILYRDLKPENLLLDHKGYVKLCDFGFAKRVGHGKKTWTFCGTPEYVAPEIILNKGHDNSADYWSLGILIYELLTGSPPFTGTDPMKIYNVVLRGIDCVEFDPMNISRTATTLIKRLCAQNPAERLGYGRGGIIDIKQNKYFQGFDWIGLHRGTLAAPIQPIIVIEFESKDNPHLYLLEYLFI
					

Structure Viewer

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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	36.1	Very low	34	Very low	248 Å²	248	150 Å²	150	100%	1.222	82%	0.816	S	S	*	*				0	113.2	0	-76	164.7	162.6	0	0	107.6
2	K	27.9	Very low	33.9	Very low	209 Å²	209	146.8 Å²	146.8	91%	0.909	81%	0.814	S	S	*	*			trans	-149.6	163	-175.2	-109.7	-173.1	175.6	-173.9	0	107.9
3	L	32.5	Very low	33.8	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	81%	0.81	S	S	*	*			trans	-72.4	165.2	-175.1	-69.4	104.6	0	0	0	115
4	D	37.7	Very low	34	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	82%	0.816	S	S	*	*				107.4	143.3	128.6	-84.9	-32.9	0	0	0	122.6
5	A	36.6	Very low	33.7	Very low	88 Å²	88	141.1 Å²	141.1	73%	0.727	81%	0.814	S	S	*	*			trans	79.4	150.2	152.1	0	0	0	0	0	121.3
6	T	37.1	Very low	34.2	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	81%	0.811	S	S	*	*			cis	-170.8	176.5	-28.4	-66.4	0	0	0	0	106
7	V	34.7	Very low	34.8	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.685	80%	0.804	S	S	*	*			trans	95.6	106.9	148.9	-174.5	0	0	0	0	120.2
8	L	32.2	Very low	34.8	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	80%	0.803	S	S	*	*			trans	60	160.1	140.7	-55.3	174.2	0	0	0	120.3
9	T	34.2	Very low	34.8	Very low	110 Å²	110	137.3 Å²	137.3	68%	0.675	80%	0.799	S	S	*	*			cis	-156.9	151.4	9.3	-13.4	0	0	0	0	112.2
10	N	30.5	Very low	35.1	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	80%	0.8	S	S	*	*			trans	20.8	136.6	147.9	-59.8	-12.5	0	0	0	123.8
11	L	34.9	Very low	34.7	Very low	161 Å²	161	136.4 Å²	136.4	84%	0.843	80%	0.801	S	S	*	*				163.1	102.4	119.7	-86.2	165.3	0	0	0	110.5
12	S	32.1	Very low	34.8	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	79%	0.785	S	S	*	*				81	119.5	97	72.2	0	0	0	0	116.6
13	G	33.2	Very low	35.1	Very low	74 Å²	74	127.6 Å²	127.6	76%	0.763	78%	0.779	S	S	*	*			trans	175.3	83.3	172.3	0	0	0	0	0	117.8
14	N	36.9	Very low	34.9	Very low	167 Å²	167	128.3 Å²	128.3	89%	0.893	78%	0.783	S	S	*	*			trans	58	113.9	150.5	-60.1	-8.1	0	0	0	123.4
15	S	29.4	Very low	34.8	Very low	113 Å²	113	130 Å²	130	79%	0.79	79%	0.785	S	S	*	*			trans	-89.4	-167	146.9	-39.8	0	0	0	0	109.5
16	P	40.7	Very low	34.4	Very low	119 Å²	119	131.1 Å²	131.1	77%	0.773	78%	0.784	S	S	*	*			cis	-138.9	-134.1	3	31.5	-2	0	0	0	113.9
17	P	45.1	Very low	34.1	Very low	106 Å²	106	131.7 Å²	131.7	69%	0.688	79%	0.787	S	S	*	*				-134.4	-178.4	-99.1	44	-26.4	0	0	0	116.5
18	L	34.6	Very low	34.1	Very low	150 Å²	150	132.6 Å²	132.6	79%	0.785	79%	0.793	S	S	*	*				173.7	135.6	126	-96.2	159.7	0	0	0	115
19	T	35.7	Very low	34	Very low	118 Å²	118	134.1 Å²	134.1	72%	0.724	80%	0.796	S	S	*	*			trans	57.5	140.5	154.7	47.2	0	0	0	0	120.4
20	T	39.1	Very low	33.8	Very low	135 Å²	135	134.9 Å²	134.9	83%	0.828	80%	0.801	S	S	*	*			cis	-153.7	156.5	7.6	-5	0	0	0	0	111
21	C	28.3	Very low	33.8	Very low	120 Å²	120	134.7 Å²	134.7	81%	0.811	80%	0.798	S	S	*	*			trans	-72.3	147	172.5	-60.1	0	0	0	0	113.4
22	T	36.6	Very low	33.5	Very low	144 Å²	144	135.6 Å²	135.6	88%	0.883	80%	0.796	S	S	*	*				-150.4	143.1	128.4	1	0	0	0	0	113
23	T	35	Very low	33.5	Very low	128 Å²	128	135.9 Å²	135.9	79%	0.785	79%	0.793	S	S	*	*			trans	-51.8	141.4	-173.9	38.9	0	0	0	0	117.8
24	L	28.6	Very low	33.2	Very low	167 Å²	167	139.1 Å²	139.1	87%	0.874	79%	0.793	S	S	*	*			trans	-59.4	143	155.4	-71.8	138.5	0	0	0	111.3
25	H	34.5	Very low	32.9	Very low	183 Å²	183	141 Å²	141	85%	0.847	79%	0.793	S	S	*	*			trans	-132.4	135.4	149.6	-119.7	-75.4	0	0	0	109.7
26	T	29.3	Very low	32.8	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.693	80%	0.796	S	S	*	*			trans	-82.7	135.7	-172.5	46.5	0	0	0	0	113.2
27	T	30.7	Very low	32.3	Very low	137 Å²	137	145 Å²	145	84%	0.84	80%	0.799	S	S	*	*			trans	-148.9	98.6	150.8	18.6	0	0	0	0	109.4
28	T	33.8	Very low	31.4	Very low	133 Å²	133	145.1 Å²	145.1	82%	0.816	80%	0.802	S	S	*	*			trans	-104.8	106.2	164.7	-3.9	0	0	0	0	107.3	T30	T28-T30 PolarHBondContact O-N 3.18Å; T28-T30 VanDerWaalsContact O-N 3.13Å
29	E	30	Very low	31.2	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	80%	0.804	S	S	*	*			trans	-75.4	98.3	174.8	-71.6	-173.1	139.3	0	0	110	I31	E29-I31 PolarHBondContact O-N 3.02Å
30	T	31.2	Very low	30.7	Very low	126 Å²	126	150.4 Å²	150.4	77%	0.773	81%	0.811	S	S	*	*			trans	-77.5	100.5	165.8	-50.6	0	0	0	0	108.5	T28 K32	T28-T30 PolarHBondContact O-N 3.18Å; T28-T30 VanDerWaalsContact O-N 3.13Å; T30-K32 PolarHBondContact O-N 3.25Å
31	I	31.1	Very low	30.2	Very low	140 Å²	140	150 Å²	150	72%	0.718	80%	0.803	S	S	*	*			trans	-63.3	109.8	172.5	-64.3	174.9	0	0	0	108.6	E29 T33	E29-I31 PolarHBondContact O-N 3.02Å; I31-T33 HydrophobicContact CG2-CG2 4.1Å
32	K	27.1	Very low	30.1	Very low	181 Å²	181	151 Å²	151	79%	0.787	81%	0.806	S	S	*	*			trans	-75.1	123.6	160.2	-74.7	-177	172	-172.4	0	108.5	T30	T30-K32 PolarHBondContact O-N 3.25Å
33	T	32.5	Very low	29.5	Very low	118 Å²	118	149.9 Å²	149.9	72%	0.724	80%	0.798	S	S	*	*			trans	-111.6	110.5	158.5	47.6	0	0	0	0	108.2	I31	I31-T33 HydrophobicContact CG2-CG2 4.1Å
34	D	27.7	Very low	29	Very low	142 Å²	142	151.3 Å²	151.3	76%	0.759	80%	0.801	S	S	*	*			trans	-68.9	128.8	174.3	-58.4	-51.2	0	0	0	110.1
35	F	29.3	Very low	28.9	Very low	207 Å²	207	151.8 Å²	151.8	91%	0.908	80%	0.799	S	S	*	*			trans	-148.7	72	164.1	-106.6	-75	0	0	0	109.6
36	E	27.6	Very low	28.7	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	80%	0.796	S	S	*	*			trans	-92	123.7	159.7	-72.4	-170.8	152.7	0	0	109.4
37	T	31.1	Very low	28.7	Very low	135 Å²	135	149.8 Å²	149.8	83%	0.828	80%	0.802	S	S	*	*				173.2	154.6	118.7	34	0	0	0	0	112.4
38	S	26.5	Very low	28.4	Very low	108 Å²	108	151 Å²	151	76%	0.755	80%	0.802	S	S	*	*			trans	76.9	66.3	170.9	72.5	0	0	0	0	118.9
39	Q	29.4	Very low	28.1	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.822	80%	0.801	S	S	*	*			trans	-122.3	117.9	133.9	-74.5	-166	1.5	0	0	109.8	I41	Q39-I41 PolarHBondContact O-N 3.42Å
40	F	26.1	Very low	28.1	Very low	202 Å²	202	151.6 Å²	151.6	89%	0.886	80%	0.797	S	S	*	*			trans	-76	116.8	166.8	-82.5	-97.3	0	0	0	108.6
41	I	27.8	Very low	28.1	Very low	127 Å²	127	153.8 Å²	153.8	65%	0.651	80%	0.804	S	S	*	*			trans	-121.6	107.4	163.3	-57.8	-178.8	0	0	0	107.2	Q39 V43	Q39-I41 PolarHBondContact O-N 3.42Å; I41-V43 HydrophobicContact CG2-CG2 3.75Å; I41-V43 PolarHBondContact O-N 2.95Å
42	T	25.3	Very low	28.1	Very low	142 Å²	142	155.9 Å²	155.9	87%	0.871	81%	0.808	S	S	*	*			trans	-70.1	118.3	163.9	9.7	0	0	0	0	108.7
43	V	25.5	Very low	28.3	Very low	119 Å²	119	157.3 Å²	157.3	72%	0.721	81%	0.814	S	S	*	*			trans	-116.6	110	171.3	-177.7	0	0	0	0	108.4	I41	I41-V43 HydrophobicContact CG2-CG2 3.75Å; I41-V43 PolarHBondContact O-N 2.95Å
44	D	24.2	Very low	28.2	Very low	158 Å²	158	157.6 Å²	157.6	85%	0.845	82%	0.816	S	S	*	*			trans	-120.3	104.2	162.4	-96.2	-40	0	0	0	108.5
45	Q	26.8	Very low	28.7	Very low	177 Å²	177	156.3 Å²	156.3	83%	0.827	82%	0.816	S	S	*	*			trans	-171	126.5	137.8	-86.6	-126.7	-26.5	0	0	109.1
46	P	29.1	Very low	28.8	Very low	123 Å²	123	158.2 Å²	158.2	80%	0.799	82%	0.817	S	S	*	*			trans	-98.9	122.2	178.4	34.6	-29.3	0	0	0	112.1
47	T	29.2	Very low	29	Very low	132 Å²	132	158.2 Å²	158.2	81%	0.81	82%	0.817	S	S	*	*			trans	-133.9	121.9	160.5	27	0	0	0	0	112.4
48	L	25.5	Very low	29.2	Very low	161 Å²	161	158.6 Å²	158.6	84%	0.843	81%	0.814	S	S	*	*			trans	-28.5	135.1	161.9	-61.5	151.5	0	0	0	114.6
49	L	27.6	Very low	29.5	Very low	151 Å²	151	162 Å²	162	79%	0.791	82%	0.818	S	S	*	*				-169.4	134.3	111.4	-120.5	92.7	0	0	0	114.5
50	K	30.3	Very low	29.6	Very low	177 Å²	177	162.8 Å²	162.8	77%	0.77	82%	0.822	S	S	*	*			trans	25.5	114.9	146.2	-59	178.4	-172.5	177	0	120
51	N	30.8	Very low	30.3	Very low	172 Å²	172	158 Å²	158	92%	0.92	81%	0.811	S	S	*	*			trans	-72.8	132.1	158	-88.7	-33.9	0	0	0	112.1
52	F	29.8	Very low	30.6	Very low	185 Å²	185	160.6 Å²	160.6	81%	0.811	82%	0.824	S	S	*	*			trans	-78.7	149.9	165.7	-91.9	-102.4	0	0	0	111.7
53	K	31.3	Very low	30.9	Very low	210 Å²	210	157.4 Å²	157.4	91%	0.913	82%	0.819	S	S	*	*			trans	-127.1	123.4	148.3	-90.1	-171.7	174.8	179.8	0	109.2
54	T	31.8	Very low	31.2	Very low	125 Å²	125	156.5 Å²	156.5	77%	0.767	82%	0.818	S	S	*	*			trans	-92.3	166.7	-179.1	26.1	0	0	0	0	111.8
55	P	37.4	Very low	31.5	Very low	115 Å²	115	158.9 Å²	158.9	75%	0.747	82%	0.822	S	S	*	*			trans	-113.6	-179.7	-136.3	41	-35.1	0	0	0	115.5
56	R	32	Very low	31.7	Very low	247 Å²	247	155.2 Å²	155.2	93%	0.932	82%	0.822	S	S	*	*			trans	-122.6	137.4	154.8	-79.4	-172.7	173	-174.6	-2.1	109.9
57	Q	32.3	Very low	31.7	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	82%	0.824	S	S	*	*			trans	-81.3	146.5	174.5	-64.5	166.1	-45.3	0	0	110.6
58	N	33.6	Very low	31.7	Very low	143 Å²	143	152.2 Å²	152.2	77%	0.765	82%	0.822	S	S	*	*				-167	128.4	123.9	-110.9	-10	0	0	0	113.6
59	Q	33.2	Very low	32	Very low	181 Å²	181	155.2 Å²	155.2	85%	0.846	82%	0.822	S	S	*	*			trans	72.7	152.1	148.8	-63.1	179.5	-7.2	0	0	120.2
60	E	32.5	Very low	32.2	Very low	192 Å²	192	153.9 Å²	153.9	90%	0.897	82%	0.815	S	S	*	*			trans	-117.8	-177.7	-158.5	-113.6	-155.2	-171.8	0	0	111.4
61	P	40.3	Very low	32.3	Very low	102 Å²	102	152.3 Å²	152.3	66%	0.662	81%	0.814	S	S	*	*			trans	-108.9	-179.3	-141.6	43.3	-38.3	0	0	0	114.8
62	I	34.5	Very low	32.5	Very low	180 Å²	180	152.6 Å²	152.6	92%	0.923	81%	0.81	S	S	*	*			trans	-173	147	147.1	-94.9	144.6	0	0	0	108.5
63	G	31.9	Very low	32.6	Very low	75 Å²	75	148 Å²	148	77%	0.773	80%	0.801	S	S	*	*			trans	128.9	101.3	153	0	0	0	0	0	117.3
64	S	30.1	Very low	32.7	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	79%	0.793	S	S	*	*			trans	-95.5	144.8	169	48.6	0	0	0	0	112.1
65	F	32.2	Very low	32.8	Very low	208 Å²	208	144.1 Å²	144.1	91%	0.912	79%	0.79	S	S	*	*				170.4	166.2	119	-110.8	-91.1	0	0	0	113
66	A	30.5	Very low	32.5	Very low	100 Å²	100	150.1 Å²	150.1	83%	0.826	80%	0.8	S	S	*	*			trans	-82.4	160	-173.1	0	0	0	0	0	115
67	G	28.3	Very low	32.6	Very low	83 Å²	83	144.6 Å²	144.6	86%	0.856	79%	0.788	S	S	*	*			trans	-172.8	141.3	171.2	0	0	0	0	0	111.6
68	S	30.5	Very low	32.6	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	78%	0.783	S	S	*	*			trans	-119.3	160.8	-166.5	59.8	0	0	0	0	115.1
69	R	31.2	Very low	32.5	Very low	223 Å²	223	145.5 Å²	145.5	84%	0.842	79%	0.789	S	S	*	*			trans	88.7	148.1	139.7	-100.5	-180	173.6	-172.4	-1.2	122.8
70	I	32.2	Very low	32.4	Very low	124 Å²	124	145.9 Å²	145.9	64%	0.636	79%	0.791	S	S	*	*			trans	78.8	99.8	148.6	-71.2	162.1	0	0	0	115.6
71	D	31.5	Very low	32.7	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	78%	0.784	S	S	*	*				108.5	153.3	82.5	-79	-9.1	0	0	0	108.1
72	Q	34.3	Very low	32.2	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	80%	0.796	S	S	*	*			cis	-138	-167.2	13.5	-51	168.7	17.2	0	0	108.7
73	S	33.7	Very low	32.1	Very low	89 Å²	89	144.7 Å²	144.7	62%	0.622	79%	0.792	S	S	*	*			cis	-156.4	132.6	-4	4.2	0	0	0	0	112.4
74	T	33.2	Very low	32.1	Very low	120 Å²	120	150.1 Å²	150.1	74%	0.736	80%	0.797	S	S	*	*			trans	32.8	116.6	142.2	58.8	0	0	0	0	124.1
75	N	32.4	Very low	32	Very low	133 Å²	133	154 Å²	154	71%	0.711	80%	0.804	S	S	*	*				50.8	125.8	122.5	-63.7	-16.4	0	0	0	123.1
76	Y	33.1	Very low	31.9	Very low	242 Å²	242	153.6 Å²	153.6	95%	0.949	80%	0.802	S	S	*	*				-141.9	155.1	115.4	-106.1	-79.4	0	0	0	111.1
77	L	33.1	Very low	32.2	Very low	130 Å²	130	154.1 Å²	154.1	68%	0.681	80%	0.798	S	S	*	*			trans	-105.2	162.9	-160.4	-132.2	79.3	0	0	0	114.5
78	N	31.8	Very low	32.2	Very low	139 Å²	139	158.4 Å²	158.4	74%	0.743	80%	0.8	S	S	*	*			trans	66.1	125.3	157.7	-71.4	-19	0	0	0	118.4
79	K	32.3	Very low	32.1	Very low	203 Å²	203	162.2 Å²	162.2	88%	0.883	81%	0.808	S	S	*	*			cis	-152.1	158.5	46.2	-81	-176.4	170.5	175.4	0	114.2
80	Q	30.6	Very low	32	Very low	190 Å²	190	157.2 Å²	157.2	89%	0.888	80%	0.802	S	S	*	*			trans	-79.5	164.7	174.6	-89.6	-177.9	-33.5	0	0	114.6
81	P	38.7	Very low	31.8	Very low	117 Å²	117	159.8 Å²	159.8	76%	0.76	81%	0.812	S	S	*	*			trans	-92.2	166.7	-175.8	37.9	-36.2	0	0	0	114.3
82	Q	30	Very low	31.8	Very low	194 Å²	194	158 Å²	158	91%	0.907	81%	0.808	S	S	*	*			trans	-112.9	122.3	165.6	-75.9	-175.1	-23.1	0	0	110.8
83	T	33.2	Very low	31.7	Very low	137 Å²	137	157.8 Å²	157.8	84%	0.84	81%	0.81	S	S	*	*			trans	-137.7	130.2	154.7	40.6	0	0	0	0	107.4
84	Q	30.8	Very low	31.5	Very low	189 Å²	189	158.2 Å²	158.2	88%	0.883	81%	0.814	S	S	*	*			trans	-88.6	134.5	-176.3	-77.2	-179.9	-32.3	0	0	111.8
85	E	27.5	Very low	31.2	Very low	184 Å²	184	157.5 Å²	157.5	86%	0.86	81%	0.814	S	S	*	*			trans	-87.3	155	164.8	-63.1	-178.1	136	0	0	111.1
86	F	30.6	Very low	31	Very low	198 Å²	198	158.4 Å²	158.4	87%	0.868	82%	0.823	S	S	*	*			trans	-134.7	118.3	160.5	-103.2	-79.2	0	0	0	108.8
87	P	38.1	Very low	30.7	Very low	112 Å²	112	153.1 Å²	153.1	73%	0.727	82%	0.817	S	S	*	*			trans	-97.9	152.9	174.6	35.3	-31.5	0	0	0	112.8
88	L	27.8	Very low	30.3	Very low	172 Å²	172	154.9 Å²	154.9	90%	0.901	82%	0.823	S	S	*	*			trans	-84.7	145.1	170.2	-96.8	82.5	0	0	0	111.9
89	M	27.6	Very low	30.1	Very low	190 Å²	190	158 Å²	158	94%	0.936	83%	0.831	S	S	*	*			trans	-150.4	163.5	141.9	-121	-173.1	-175.5	0	0	112.8
90	T	28.7	Very low	30.2	Very low	118 Å²	118	153.8 Å²	153.8	72%	0.724	82%	0.824	S	S	*	*			trans	-97.2	157.6	-159.9	46.3	0	0	0	0	114.8
91	Q	29	Very low	30.2	Very low	177 Å²	177	150.6 Å²	150.6	83%	0.827	82%	0.817	S	S	*	*				172.1	154.8	122.4	-85.1	-76.9	-21.6	0	0	110.3
92	P	31.9	Very low	29.8	Very low	105 Å²	105	152.6 Å²	152.6	68%	0.682	82%	0.816	S	S	*	*			trans	-107.4	164.4	-168.1	39.7	-31.1	0	0	0	114.8
93	I	31.5	Very low	29.7	Very low	174 Å²	174	150.5 Å²	150.5	89%	0.892	81%	0.811	S	S	*	*			trans	-129.6	145.2	169.2	-61.7	-179.1	0	0	0	110.8
94	S	29.7	Very low	29.6	Very low	99 Å²	99	151.8 Å²	151.8	69%	0.692	81%	0.811	S	S	*	*			trans	-91.5	151	-163.7	-41.8	0	0	0	0	115.7
95	S	26.1	Very low	29.8	Very low	105 Å²	105	147.8 Å²	147.8	73%	0.734	80%	0.802	S	S	*	*			trans	20.9	123.5	142.1	61.6	0	0	0	0	121.2
96	V	29	Very low	29.9	Very low	151 Å²	151	145 Å²	145	92%	0.915	80%	0.797	S	S	*	*			trans	-133.5	146.4	143.1	178.7	0	0	0	0	109.7
97	T	27.5	Very low	29.9	Very low	132 Å²	132	143.5 Å²	143.5	81%	0.81	79%	0.792	S	S	*	*			trans	-101.2	164.7	-161.8	-40.1	0	0	0	0	113.6
98	M	23.8	Very low	30.1	Very low	166 Å²	166	142.2 Å²	142.2	82%	0.818	78%	0.784	S	S	*	*			trans	-57.5	154	-179.5	-42.8	176.2	85.7	0	0	115.6
99	K	26.9	Very low	30.3	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.896	78%	0.779	S	S	*	*				-169.7	156.7	108	-101.9	176.7	-177.8	-177.7	0	113.9
100	P	36.5	Very low	30.6	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	77%	0.772	S	S	*	*			trans	-105.8	177.4	-175.8	41.7	-35.2	0	0	0	113.5
101	V	29.3	Very low	30.5	Very low	123 Å²	123	141.8 Å²	141.8	75%	0.745	78%	0.775	S	S	*	*			trans	-169.9	124	148.7	136.2	0	0	0	0	113.2
102	Q	30.9	Very low	30.7	Very low	159 Å²	159	139.3 Å²	139.3	74%	0.743	77%	0.772	S	S	*	*			trans	45	122.6	142.7	-61.5	166.6	-22.1	0	0	121.8
103	N	28.4	Very low	30.8	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	78%	0.776	S	S	*	*				64.3	129.4	86.6	-63.3	-7.8	0	0	0	114
104	I	30	Very low	30.6	Very low	164 Å²	164	138 Å²	138	84%	0.841	77%	0.769	S	S	*	*				-165.6	162.5	71.6	-86.7	-174.9	0	0	0	110.8
105	P	34.5	Very low	30.9	Very low	106 Å²	106	139 Å²	139	69%	0.688	77%	0.774	S	S	*	*			trans	-127.6	-158.7	-149.4	42.7	-27	0	0	0	117.6
106	V	29.7	Very low	31	Very low	125 Å²	125	139.7 Å²	139.7	76%	0.758	77%	0.773	S	S	*	*			trans	80.4	136.5	156.9	159.6	0	0	0	0	116.5
107	H	31.6	Very low	31.1	Very low	166 Å²	166	135.8 Å²	135.8	77%	0.769	76%	0.764	S	S	*	*			cis	-170	-153.3	-9.4	-126.2	-30.7	0	0	0	109.1
108	P	42.2	Very low	31.1	Very low	85 Å²	85	140.1 Å²	140.1	55%	0.552	77%	0.767	S	S	*	*				-125.9	-172.8	-91	28.8	-4.1	0	0	0	118
109	H	31.5	Very low	31.5	Very low	173 Å²	173	140.3 Å²	140.3	80%	0.801	77%	0.769	S	S	*	*			trans	79.9	144.8	169.2	-51.7	-70.1	0	0	0	116.9
110	T	33.7	Very low	31.7	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	77%	0.767	S	S	*	*			cis	-143.9	175.7	28.1	-20.8	0	0	0	0	114.2
111	E	27.9	Very low	31.4	Very low	171 Å²	171	138.4 Å²	138.4	80%	0.799	77%	0.765	S	S	*	*			trans	-52	165.5	-176	-58.1	165.4	145.8	0	0	116.5
112	V	32.5	Very low	31.4	Very low	125 Å²	125	138.4 Å²	138.4	76%	0.758	77%	0.77	S	S	*	*				-169.2	142.3	73.7	159.8	0	0	0	0	114.1
113	S	32.8	Very low	31.4	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	77%	0.771	S	S	*	*			trans	61.1	116.4	155.9	72	0	0	0	0	125.4
114	N	27.6	Very low	31.5	Very low	141 Å²	141	136.2 Å²	136.2	75%	0.754	77%	0.772	S	S	*	*			trans	-29.6	171.3	144.1	-95.3	-19.5	0	0	0	119.3
115	P	36.5	Very low	31.7	Very low	121 Å²	121	134 Å²	134	79%	0.786	77%	0.769	S	S	*	*			cis	-140.2	162.1	26.1	37.2	-16	0	0	0	121.2
116	V	29.1	Very low	31.6	Very low	119 Å²	119	132.6 Å²	132.6	72%	0.721	77%	0.774	S	S	*	*			trans	-33	138.8	162.3	-179.5	0	0	0	0	117.3
117	G	30.3	Very low	31.6	Very low	70 Å²	70	135.8 Å²	135.8	72%	0.722	79%	0.785	S	S	*	*			trans	-107.1	142.9	160.3	0	0	0	0	0	112.4
118	Y	27.9	Very low	31.5	Very low	223 Å²	223	131.6 Å²	131.6	88%	0.875	79%	0.787	S	S	*	*			trans	-75.9	144.4	-173.2	-78.9	-112	0	0	0	114
119	I	31.6	Very low	31.2	Very low	169 Å²	169	132.8 Å²	132.8	87%	0.867	80%	0.798	S	S	*	*			trans	-130.9	136.2	151.5	-62.7	-176.3	0	0	0	108.7
120	H	30.7	Very low	31.2	Very low	183 Å²	183	132.9 Å²	132.9	85%	0.847	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.2	137.9	-172.5	-107.3	-98.1	0	0	0	114.1
121	S	30.6	Very low	31	Very low	98 Å²	98	134.7 Å²	134.7	69%	0.685	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-90	142.9	160	52.3	0	0	0	0	111.1
122	S	29.8	Very low	31.4	Very low	123 Å²	123	131.8 Å²	131.8	86%	0.86	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-95.5	122.4	171.9	40.7	0	0	0	0	110.4
123	T	31.4	Very low	31.4	Very low	125 Å²	125	134.1 Å²	134.1	77%	0.767	81%	0.806	S	S	*	*			trans	-113.2	124.2	175.9	-53.6	0	0	0	0	109.7
124	V	30.6	Very low	31.2	Very low	136 Å²	136	133.3 Å²	133.3	82%	0.824	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83.2	128.1	171.9	179.7	0	0	0	0	108.9
125	P	34	Very low	31.4	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-84.5	135.1	179.2	32.5	-32.8	0	0	0	111.9
126	G	31.7	Very low	31.2	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.6	150.7	173	0	0	0	0	0	113.3
127	L	28.7	Very low	31.1	Very low	192 Å²	192	137.4 Å²	137.4	100%	1.005	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.2	127.2	166.4	-84.7	133.7	0	0	0	110.2
128	G	31.4	Very low	31.2	Very low	78 Å²	78	140 Å²	140	80%	0.804	81%	0.813	S	S	*	*			trans	-166	121.1	174.2	0	0	0	0	0	110.6
129	S	34.3	Very low	31.2	Very low	110 Å²	110	136 Å²	136	77%	0.769	81%	0.807	S	S	*	*			trans	-91.5	144.9	-162.9	53.5	0	0	0	0	115.6
130	M	31.5	Very low	31.2	Very low	175 Å²	175	135.8 Å²	135.8	86%	0.862	81%	0.808	S	S	*	*			trans	57.3	112.2	155.2	-63.4	-173	175.8	0	0	117.8
131	I	30.8	Very low	31	Very low	165 Å²	165	134.7 Å²	134.7	85%	0.846	81%	0.808	S	S	*	*				75.3	133.4	74.1	-71.5	179.5	0	0	0	113.3
132	P	35.6	Very low	31.2	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	82%	0.815	S	S	*	*			trans	-127.2	-176.6	-136.6	43.2	-28.9	0	0	0	115.2
133	I	31.8	Very low	31	Very low	174 Å²	174	138 Å²	138	89%	0.892	81%	0.813	S	S	*	*			trans	-126.7	140.8	161.2	-62.2	179.3	0	0	0	109.1
134	A	29.2	Very low	31	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	81%	0.814	S	S	*	*			trans	-134	133.5	-174.3	0	0	0	0	0	113.4
135	S	32.6	Very low	31	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	81%	0.811	S	S	*	*			trans	-176.1	127.6	153.1	37.4	0	0	0	0	108.2
136	R	31	Very low	30.9	Very low	240 Å²	240	140.6 Å²	140.6	91%	0.906	81%	0.812	S	S	*	*				59.4	126.3	61.3	-80.6	-166	174.1	-176.8	-0.2	113.1
137	T	27.9	Very low	30.9	Very low	117 Å²	117	142 Å²	142	72%	0.718	81%	0.808	S	S	*	*			cis	-165.7	176.3	-5.4	-45.8	0	0	0	0	108.5
138	V	32.3	Very low	31	Very low	124 Å²	124	138.6 Å²	138.6	75%	0.752	80%	0.795	S	S	*	*			trans	114.6	105.9	148	-170	0	0	0	0	118.2
139	N	27.1	Very low	30.9	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	80%	0.799	S	S	*	*			trans	5.2	141.8	145.2	-58.7	-3.2	0	0	0	121.5
140	N	32.9	Very low	30.8	Very low	165 Å²	165	143.5 Å²	143.5	88%	0.882	80%	0.796	S	S	*	*				-156.5	142.3	105.9	-103.5	-22.9	0	0	0	113.7
141	N	26.8	Very low	30.7	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	80%	0.799	S	S	*	*			trans	-80.5	140.1	173	-82.2	-24.5	0	0	0	111.1
142	V	33.1	Very low	30.8	Very low	135 Å²	135	144 Å²	144	82%	0.818	80%	0.798	S	S	*	*			trans	-139.4	120.1	143.3	-176.4	0	0	0	0	108.8	F144	V142-F144 HydrophobicContact CG1-CD2 4.44Å
143	N	25.7	Very low	30.7	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	80%	0.799	S	S	*	*			trans	-82.7	136.5	169.3	-110.7	-16.8	0	0	0	109.3
144	F	32.3	Very low	31	Very low	181 Å²	181	144.6 Å²	144.6	79%	0.794	80%	0.799	S	S	*	*			trans	-152.5	116.2	148.2	-104.4	-71.4	0	0	0	112.4	V142	V142-F144 HydrophobicContact CG1-CD2 4.44Å
145	N	31.3	Very low	31.8	Very low	141 Å²	141	145.1 Å²	145.1	75%	0.754	79%	0.793	S	S	*	*			trans	37.4	112.9	151.7	-60.2	-4.7	0	0	0	120.5
146	S	30.4	Very low	32.6	Very low	113 Å²	113	145.4 Å²	145.4	79%	0.79	79%	0.792	S	S	*	*			trans	-72.8	161.1	136.8	59.9	0	0	0	0	109.8
147	P	33.4	Very low	33.7	Very low	107 Å²	107	135 Å²	135	70%	0.695	76%	0.76	S	S	*	*				-148.7	165.2	92.8	38.8	-22	0	0	0	116.9
148	T	30.3	Very low	35.1	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	75%	0.753	S	S	*	*			trans	64.7	99.4	149.6	44.2	0	0	0	0	121.1
149	K	28.3	Very low	36.4	Very low	205 Å²	205	133.5 Å²	133.5	89%	0.891	75%	0.746	S	S	*	*				39.3	101.1	119.2	-66.9	-176	174.8	-177.4	0	117.8
150	A	33.2	Very low	38.1	Very low	85 Å²	85	131.2 Å²	131.2	70%	0.702	73%	0.733	S	S	*	*			trans	-131.8	129.7	137.7	0	0	0	0	0	107.8	Q152	A150-Q152 PolarHBondContact O-N 3.28Å
151	N	29.4	Very low	39.5	Very low	175 Å²	175	131.7 Å²	131.7	94%	0.936	74%	0.735	S	S	*	*			trans	-65.7	106	173.6	-74.7	-4	0	0	0	108.3
152	Q	33	Very low	41.7	Very low	176 Å²	176	127.4 Å²	127.4	82%	0.822	73%	0.73	S	S	*	*			trans	-107.9	139	163	-71.8	-171.2	-7.9	0	0	108.5	A150 E154	A150-Q152 PolarHBondContact O-N 3.28Å; Q152-E154 PolarHBondContact O-N 3.18Å
153	S	33	Very low	43.1	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	72%	0.718	S	S	*	*			trans	-46.3	125.3	-174	47.2	0	0	0	0	113.5	T155	S153-T155 PolarHBondContact O-N 3.11Å
154	E	38	Very low	45.3	Very low	192 Å²	192	123.7 Å²	123.7	90%	0.897	71%	0.705	S	S	*	*			trans	-60.4	102.8	154.9	-69.2	177.3	158.1	0	0	107.8	Q152 P156	Q152-E154 PolarHBondContact O-N 3.18Å; E154-P156 WeakPolarHBondContact O-CD 3.46Å
155	T	46.3	Very low	47.2	Very low	103 Å²	103	118.1 Å²	118.1	63%	0.632	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-67.7	117.4	160.6	42.9	0	0	0	0	106.9	S153 G157	S153-T155 PolarHBondContact O-N 3.11Å; T155-G157 PolarHBondContact O-N 3.07Å; T155-G157 VanDerWaalsContact O-N 3.16Å
156	P	48.7	Very low	49.7	Very low	117 Å²	117	117 Å²	117	76%	0.76	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-65.1	121.1	-178.8	26.4	-33	0	0	0	108.9	E154 L158	E154-P156 WeakPolarHBondContact O-CD 3.46Å; P156-L158 PolarHBondContact O-N 3.49Å
157	G	53.8	Low	52	Low	21 Å²	21	115.5 Å²	115.5	22%	0.216	66%	0.657	C	S	.	*	P	Polyproline II helix	trans	-53.9	137.4	173.4	0	0	0	0	0	110.4	T155 V159	T155-G157 PolarHBondContact O-N 3.07Å; T155-G157 VanDerWaalsContact O-N 3.16Å; G157-V159 PolarHBondContact O-N 3.36Å
158	L	57.4	Low	54.2	Low	111 Å²	111	117.8 Å²	117.8	58%	0.581	66%	0.658	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.5	122	-178.6	-110.6	85.1	0	0	0	108.9	P156 Y165 L170	P156-L158 PolarHBondContact O-N 3.49Å; L158-Y165 PolarHBondContact N-O 3.29Å; L158-Y165 PolarHBondContact O-N 2.89Å; L158-L170 HydrophobicContact CB-CD1 3.69Å; L158-L170 HydrophobicContact CD2-CD1 4.19Å
159	V	60.6	Low	56.5	Low	98 Å²	98	117.3 Å²	117.3	59%	0.594	65%	0.648	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.1	117.2	176.1	-177.9	0	0	0	0	109.8	G157 K163	G157-V159 PolarHBondContact O-N 3.36Å; V159-K163 VanDerWaalsContact CA-O 3.3Å; V159-K163 WeakPolarHBondContact CA-O 3.48Å
160	L	61.8	Low	58.8	Low	92 Å²	92	109 Å²	109	48%	0.482	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	129.3	172.3	-82.5	156.6	0	0	0	108.1	G162 K163 Y165 L170	L160-G162 PolarHBondContact O-N 3.08Å; L160-G162 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact N-O 2.82Å; L160-K163 PolarHBondContact O-N 2.84Å; L160-Y165 HydrophobicContact CB-CD2 4.36Å; L160-Y165 HydrophobicContact CB-CE2 4.27Å; L160-L170 HydrophobicContact CD1-CD1 4.44Å; L160-L170 HydrophobicContact CD1-CD2 4.46Å
161	D	62	Low	61.2	Low	175 Å²	175	109.7 Å²	109.7	94%	0.936	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.9	42.3	-174.4	-70.9	-17.5	0	0	0	114.7	K163	D161-K163 VanDerWaalsContact C-N 3.26Å; D161-K163 PolarHBondContact O-N 2.95Å
162	G	72.9	Confident	63.9	Low	71 Å²	71	106.5 Å²	106.5	73%	0.732	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	75	6.4	177.6	0	0	0	0	0	115.3	L160	L160-G162 PolarHBondContact O-N 3.08Å; L160-G162 VanDerWaalsContact O-N 3.11Å
163	K	62.9	Low	66.2	Low	134 Å²	134	101.5 Å²	101.5	58%	0.583	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.2	129.8	171.3	-70.3	-178.2	179.9	177.1	0	110.7	V159 L160 D161 Y165	V159-K163 VanDerWaalsContact CA-O 3.3Å; V159-K163 WeakPolarHBondContact CA-O 3.48Å; L160-K163 PolarHBondContact N-O 2.82Å; L160-K163 PolarHBondContact O-N 2.84Å; D161-K163 VanDerWaalsContact C-N 3.26Å; D161-K163 PolarHBondContact O-N 2.95Å; K163-Y165 HydrophobicContact CB-CD2 4.39Å; K163-Y165 HydrophobicContact CB-CE2 3.69Å; K163-Y165 WeakPolarHBondContact O-CD2 2.92Å
164	S	72.4	Confident	68.8	Low	77 Å²	77	99.7 Å²	99.7	54%	0.538	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.5	170.3	-174.9	0	0	0	0	109.3
165	Y	73	Confident	71.2	Confident	64 Å²	64	94.7 Å²	94.7	25%	0.251	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.8	175.2	-70	-86.1	0	0	0	110.6	L158 L160 K163 E169	L158-Y165 PolarHBondContact N-O 3.29Å; L158-Y165 PolarHBondContact O-N 2.89Å; L160-Y165 HydrophobicContact CB-CD2 4.36Å; L160-Y165 HydrophobicContact CB-CE2 4.27Å; K163-Y165 HydrophobicContact CB-CD2 4.39Å; K163-Y165 HydrophobicContact CB-CE2 3.69Å; K163-Y165 WeakPolarHBondContact O-CD2 2.92Å; Y165-E169 HydrophobicContact CD1-CB 4.38Å
166	E	81.9	Confident	73.3	Confident	117 Å²	117	98 Å²	98	55%	0.547	53%	0.525	S	S	.	.			trans	-71.4	148.4	167.2	-73.7	-60.8	149.8	0	0	110.3	E168 E169 L170	E166-E168 PolarHBondContact O-N 3.4Å; E166-E169 HydrophobicContact CB-CG 4.39Å; E166-E169 PolarHBondContact O-N 2.88Å; E166-L170 PolarHBondContact O-N 2.96Å; E166-L170 VanDerWaalsContact O-N 3.09Å
167	P	78.9	Confident	75.1	Confident	82 Å²	82	96.6 Å²	96.6	53%	0.532	51%	0.51	S	S	.	.	H	α-helix	trans	-54.7	-32.8	-176.6	-27.2	35.1	0	0	0	114.2	L170 L171	P167-L170 PolarHBondContact O-N 3.41Å; P167-L171 PolarHBondContact O-N 2.79Å
168	E	80	Confident	76.8	Confident	154 Å²	154	101.8 Å²	101.8	72%	0.72	52%	0.523	S	S	*	.	H	α-helix	trans	-77.8	-29.7	-178.4	-154.3	168	-143	0	0	112.9	E166 N172	E166-E168 PolarHBondContact O-N 3.4Å; E168-N172 PolarHBondContact O-N 2.89Å; E168-N172 PolarHBondContact O-ND2 2.73Å
169	E	79.1	Confident	78.4	Confident	111 Å²	111	103.2 Å²	103.2	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-70.1	-41	169	-67.2	-169.9	133.8	0	0	111.1	Y165 E166 L171 N172 L173	Y165-E169 HydrophobicContact CD1-CB 4.38Å; E166-E169 HydrophobicContact CB-CG 4.39Å; E166-E169 PolarHBondContact O-N 2.88Å; E169-L171 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 2.82Å; E169-N172 PolarHBondContact O-N 2.74Å; E169-L173 WeakPolarHBondContact O-CB 3.48Å; E169-L173 PolarHBondContact O-N 3.26Å
170	L	76.9	Confident	79.6	Confident	30 Å²	30	102.4 Å²	102.4	16%	0.157	52%	0.519	C	S	.	.	H	α-helix	trans	-63.5	-40.6	179.4	-128.8	162.7	0	0	0	111.2	L158 L160 E166 P167 L173 I174	L158-L170 HydrophobicContact CB-CD1 3.69Å; L158-L170 HydrophobicContact CD2-CD1 4.19Å; L160-L170 HydrophobicContact CD1-CD1 4.44Å; L160-L170 HydrophobicContact CD1-CD2 4.46Å; E166-L170 PolarHBondContact O-N 2.96Å; E166-L170 VanDerWaalsContact O-N 3.09Å; P167-L170 PolarHBondContact O-N 3.41Å; L170-L173 PolarHBondContact O-N 3.33Å; L170-I174 HydrophobicContact CD2-CD1 3.93Å; L170-I174 HydrophobicContact CD2-CG1 4.4Å; L170-I174 WeakPolarHBondContact O-CD1 2.96Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 2.78Å
171	L	83.5	Confident	80.9	Confident	100 Å²	100	103.1 Å²	103.1	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-59.1	-51.3	170.2	-94.1	157	0	0	0	112.3	P167 E169 L173 I174 E175	P167-L171 PolarHBondContact O-N 2.79Å; E169-L171 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 2.82Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.72Å; L171-I174 PolarHBondContact O-N 3.12Å; L171-E175 PolarHBondContact O-N 2.86Å
172	N	85.7	Confident	82.2	Confident	107 Å²	107	102.2 Å²	102.2	57%	0.572	51%	0.506	S	S	*	.	H	α-helix	trans	-60.5	-36.9	177.6	-84.8	-69.6	0	0	0	113	E168 E169 E175 R176	E168-N172 PolarHBondContact O-N 2.89Å; E168-N172 PolarHBondContact O-ND2 2.73Å; E169-N172 PolarHBondContact O-N 2.74Å; N172-E175 PolarHBondContact O-N 3.02Å; N172-R176 WeakPolarHBondContact O-CB 3.47Å; N172-R176 PolarHBondContact O-N 3.35Å
173	L	82.2	Confident	83	Confident	71 Å²	71	101 Å²	101	37%	0.372	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-43.3	175.4	-177.8	61.3	0	0	0	111.4	E169 L170 L171 R176 L177	E169-L173 WeakPolarHBondContact O-CB 3.48Å; E169-L173 PolarHBondContact O-N 3.26Å; L170-L173 PolarHBondContact O-N 3.33Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.72Å; L173-R176 PolarHBondContact O-N 3.07Å; L173-L177 HydrophobicContact CD1-CD1 4.31Å; L173-L177 HydrophobicContact CD1-CG 4.37Å; L173-L177 HydrophobicContact CG-CD1 4.07Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.25Å; L173-L177 PolarHBondContact O-N 3.34Å
174	I	85.9	Confident	84.2	Confident	67 Å²	67	102.4 Å²	102.4	34%	0.344	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-43.6	174.7	-71.5	163.7	0	0	0	110.9	L170 L171 R176 L177 R178	L170-I174 HydrophobicContact CD2-CD1 3.93Å; L170-I174 HydrophobicContact CD2-CG1 4.4Å; L170-I174 WeakPolarHBondContact O-CD1 2.96Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 2.78Å; L171-I174 PolarHBondContact O-N 3.12Å; I174-R176 PolarHBondContact O-N 3.03Å; I174-L177 PolarHBondContact O-N 3.43Å; I174-R178 HydrophobicContact CG2-CG 4.43Å; I174-R178 WeakPolarHBondContact O-CB 3.48Å; I174-R178 WeakPolarHBondContact O-CG 3.39Å; I174-R178 PolarHBondContact O-N 3.33Å
175	E	89.3	Confident	85	Confident	87 Å²	87	101.7 Å²	101.7	41%	0.407	49%	0.488	S	S	.	.	H	α-helix	trans	-61	-43.6	177	-125.6	68.5	-104.9	0	0	111.7	L171 N172 R178 Q179	L171-E175 PolarHBondContact O-N 2.86Å; N172-E175 PolarHBondContact O-N 3.02Å; E175-R178 WeakPolarHBondContact O-CB 3.46Å; E175-R178 PolarHBondContact O-N 2.99Å; E175-R178 IonicContact OE1-CZ 3.62Å; E175-R178 IonicContact OE1-NH1 2.7Å; E175-R178 PolarHBondContact OE1-NH1 3.44Å; E175-Q179 PolarHBondContact O-N 2.9Å
176	R	89.7	Confident	85.7	Confident	173 Å²	173	102.7 Å²	102.7	65%	0.653	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-47.1	178.1	-167.1	174.3	-71.2	172.8	-1.7	111.7	N172 L173 I174 R178 Q179 D180	N172-R176 WeakPolarHBondContact O-CB 3.47Å; N172-R176 PolarHBondContact O-N 3.35Å; L173-R176 PolarHBondContact O-N 3.07Å; I174-R176 PolarHBondContact O-N 3.03Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.85Å; R176-Q179 WeakPolarHBondContact O-CA 3.47Å; R176-Q179 VanDerWaalsContact O-CB 3.31Å; R176-Q179 WeakPolarHBondContact O-CB 3.48Å; R176-Q179 PolarHBondContact O-N 3.25Å; R176-D180 PolarHBondContact O-N 2.81Å
177	L	87.4	Confident	86.1	Confident	87 Å²	87	101.9 Å²	101.9	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-60.8	-38	175.2	-71.6	170.5	0	0	0	112.5	L173 I174 Q179 D180 I181	L173-L177 HydrophobicContact CD1-CD1 4.31Å; L173-L177 HydrophobicContact CD1-CG 4.37Å; L173-L177 HydrophobicContact CG-CD1 4.07Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.25Å; L173-L177 PolarHBondContact O-N 3.34Å; I174-L177 PolarHBondContact O-N 3.43Å; L177-Q179 PolarHBondContact O-N 3.25Å; L177-D180 PolarHBondContact O-N 2.84Å; L177-I181 WeakPolarHBondContact O-CB 3.28Å; L177-I181 VanDerWaalsContact O-CG1 3.23Å; L177-I181 WeakPolarHBondContact O-CG1 3.34Å; L177-I181 PolarHBondContact O-N 3.08Å
178	R	90.3	Very high	86.5	Confident	129 Å²	129	102.4 Å²	102.4	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-64.6	-22.2	172.3	-76.9	168.8	169.8	176.9	-1.3	113.6	I174 E175 R176 R182	I174-R178 HydrophobicContact CG2-CG 4.43Å; I174-R178 WeakPolarHBondContact O-CB 3.48Å; I174-R178 WeakPolarHBondContact O-CG 3.39Å; I174-R178 PolarHBondContact O-N 3.33Å; E175-R178 WeakPolarHBondContact O-CB 3.46Å; E175-R178 PolarHBondContact O-N 2.99Å; E175-R178 IonicContact OE1-CZ 3.62Å; E175-R178 IonicContact OE1-NH1 2.7Å; E175-R178 PolarHBondContact OE1-NH1 3.44Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.85Å; R178-R182 PolarHBondContact O-NE 3.06Å; R178-R182 VanDerWaalsContact O-NE 3.08Å
179	Q	89.7	Confident	86.9	Confident	141 Å²	141	101.4 Å²	101.4	66%	0.659	48%	0.481	S	S	*	.	H	α-helix	trans	-85.9	-42.3	177.2	-156.4	158.4	12.3	0	0	110.3	E175 R176 L177 R182 G183	E175-Q179 PolarHBondContact O-N 2.9Å; R176-Q179 WeakPolarHBondContact O-CA 3.47Å; R176-Q179 VanDerWaalsContact O-CB 3.31Å; R176-Q179 WeakPolarHBondContact O-CB 3.48Å; R176-Q179 PolarHBondContact O-N 3.25Å; L177-Q179 PolarHBondContact O-N 3.25Å; Q179-R182 WeakPolarHBondContact O-CB 3.39Å; Q179-R182 PolarHBondContact O-N 2.9Å; Q179-G183 PolarHBondContact O-N 2.9Å
180	D	87.3	Confident	87.4	Confident	82 Å²	82	102.7 Å²	102.7	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-47.1	173.1	-62.8	-28.2	0	0	0	111.7	R176 L177 R182 G183 Y184	R176-D180 PolarHBondContact O-N 2.81Å; L177-D180 PolarHBondContact O-N 2.84Å; D180-R182 PolarHBondContact O-N 3.06Å; D180-G183 WeakPolarHBondContact O-CA 3.42Å; D180-G183 PolarHBondContact O-N 3.39Å; D180-Y184 HydrophobicContact CB-CE2 4.3Å; D180-Y184 WeakPolarHBondContact O-CD2 3.31Å; D180-Y184 PolarHBondContact O-N 2.91Å
181	I	88.2	Confident	87.8	Confident	106 Å²	106	105 Å²	105	54%	0.544	49%	0.494	S	S	.	.	H	α-helix	trans	-57.1	-38.3	175.1	-71.6	166.5	0	0	0	111.5	L177 T185	L177-I181 WeakPolarHBondContact O-CB 3.28Å; L177-I181 VanDerWaalsContact O-CG1 3.23Å; L177-I181 WeakPolarHBondContact O-CG1 3.34Å; L177-I181 PolarHBondContact O-N 3.08Å; I181-T185 WeakPolarHBondContact O-CB 3.24Å; I181-T185 PolarHBondContact O-N 3.42Å; I181-T185 PolarHBondContact O-OG1 2.79Å
182	R	90.1	Very high	88.1	Confident	156 Å²	156	106 Å²	106	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-66.1	-44.9	174.7	-92.6	-179	-83.7	-154.7	-0	111.7	R178 Q179 D180 Y184 T185 D186	R178-R182 PolarHBondContact O-NE 3.06Å; R178-R182 VanDerWaalsContact O-NE 3.08Å; Q179-R182 WeakPolarHBondContact O-CB 3.39Å; Q179-R182 PolarHBondContact O-N 2.9Å; D180-R182 PolarHBondContact O-N 3.06Å; R182-Y184 PolarHBondContact O-N 3.15Å; R182-T185 PolarHBondContact O-N 3.12Å; R182-D186 PolarHBondContact O-N 2.86Å
183	G	89.6	Confident	88.2	Confident	45 Å²	45	107.5 Å²	107.5	46%	0.464	50%	0.499	S	S	.	.	H	α-helix	trans	-56.5	-46.1	174	0	0	0	0	0	113	Q179 D180 D186 H187	Q179-G183 PolarHBondContact O-N 2.9Å; D180-G183 WeakPolarHBondContact O-CA 3.42Å; D180-G183 PolarHBondContact O-N 3.39Å; G183-D186 PolarHBondContact O-N 2.96Å; G183-H187 WeakPolarHBondContact O-CB 3.48Å; G183-H187 PolarHBondContact O-N 3.4Å
184	Y	87	Confident	88.5	Confident	164 Å²	164	109 Å²	109	64%	0.643	50%	0.504	S	S	*	.	H	α-helix	trans	-64.8	-41.3	175	-69.5	-59.1	0	0	0	112.6	D180 R182 D186 H187 I188	D180-Y184 HydrophobicContact CB-CE2 4.3Å; D180-Y184 WeakPolarHBondContact O-CD2 3.31Å; D180-Y184 PolarHBondContact O-N 2.91Å; R182-Y184 PolarHBondContact O-N 3.15Å; Y184-D186 PolarHBondContact O-N 3.05Å; Y184-H187 PolarHBondContact O-N 2.86Å; Y184-I188 VanDerWaalsContact O-CG1 3.32Å; Y184-I188 WeakPolarHBondContact O-CG1 3.33Å; Y184-I188 PolarHBondContact O-N 3.28Å
185	T	89.5	Confident	88.5	Confident	62 Å²	62	111.3 Å²	111.3	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-43.6	177.7	-56.8	0	0	0	0	111.6	I181 R182 I188 R189	I181-T185 WeakPolarHBondContact O-CB 3.24Å; I181-T185 PolarHBondContact O-N 3.42Å; I181-T185 PolarHBondContact O-OG1 2.79Å; R182-T185 PolarHBondContact O-N 3.12Å; T185-I188 PolarHBondContact O-N 3.03Å; T185-R189 PolarHBondContact O-N 2.91Å
186	D	88.4	Confident	88.5	Confident	86 Å²	86	110.2 Å²	110.2	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-71	-34	178	-69.6	-27.2	0	0	0	111.9	R182 G183 Y184 R189 W190	R182-D186 PolarHBondContact O-N 2.86Å; G183-D186 PolarHBondContact O-N 2.96Å; Y184-D186 PolarHBondContact O-N 3.05Å; D186-R189 PolarHBondContact O-N 3.46Å; D186-R189 IonicContact OD1-CZ 3.55Å; D186-R189 IonicContact OD1-NH1 3.49Å; D186-R189 PolarHBondContact OD1-NH1 2.82Å; D186-R189 IonicContact OD1-NH2 2.9Å; D186-W190 PolarHBondContact O-N 2.91Å
187	H	90	Very high	88.3	Confident	99 Å²	99	107.5 Å²	107.5	46%	0.458	51%	0.513	S	S	.	.	H	α-helix	trans	-66.7	-40.7	173.3	-170.3	66.9	0	0	0	112.7	G183 Y184 W190 L191	G183-H187 WeakPolarHBondContact O-CB 3.48Å; G183-H187 PolarHBondContact O-N 3.4Å; Y184-H187 PolarHBondContact O-N 2.86Å; H187-W190 AromaticContact CE1-CE3 3.84Å; H187-W190 AromaticContact CE1-CZ3 3.97Å; H187-W190 WeakPolarHBondContact O-CB 3.31Å; H187-W190 PolarHBondContact O-N 3.27Å; H187-L191 WeakPolarHBondContact O-CG 3.41Å; H187-L191 PolarHBondContact O-N 3.13Å
188	I	87.7	Confident	88.3	Confident	94 Å²	94	106.9 Å²	106.9	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-47.3	172.5	-70.2	164.2	0	0	0	110	Y184 T185 W190 L191 E192	Y184-I188 VanDerWaalsContact O-CG1 3.32Å; Y184-I188 WeakPolarHBondContact O-CG1 3.33Å; Y184-I188 PolarHBondContact O-N 3.28Å; T185-I188 PolarHBondContact O-N 3.03Å; I188-W190 PolarHBondContact O-N 3.19Å; I188-L191 WeakPolarHBondContact O-CB 3.47Å; I188-L191 PolarHBondContact O-N 3.15Å; I188-L191 VanDerWaalsContact O-N 3.09Å; I188-E192 HydrophobicContact CG2-CG 4.47Å; I188-E192 WeakPolarHBondContact O-CG 3.43Å; I188-E192 PolarHBondContact O-N 2.99Å
189	R	88	Confident	88.2	Confident	132 Å²	132	108.8 Å²	108.8	50%	0.498	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-31.4	178.8	-156.2	-174	-62	121.5	4.6	112.6	T185 D186 Q193	T185-R189 PolarHBondContact O-N 2.91Å; D186-R189 PolarHBondContact O-N 3.46Å; D186-R189 IonicContact OD1-CZ 3.55Å; D186-R189 IonicContact OD1-NH1 3.49Å; D186-R189 PolarHBondContact OD1-NH1 2.82Å; D186-R189 IonicContact OD1-NH2 2.9Å; R189-Q193 PolarHBondContact O-N 2.99Å
190	W	89.5	Confident	88.2	Confident	138 Å²	138	106.4 Å²	106.4	52%	0.523	51%	0.511	S	S	.	.	H	α-helix	trans	-70.3	-45.7	171.6	177	77.7	0	0	0	112.4	D186 H187 I188 E192 Q193 E194	D186-W190 PolarHBondContact O-N 2.91Å; H187-W190 AromaticContact CE1-CE3 3.84Å; H187-W190 AromaticContact CE1-CZ3 3.97Å; H187-W190 WeakPolarHBondContact O-CB 3.31Å; H187-W190 PolarHBondContact O-N 3.27Å; I188-W190 PolarHBondContact O-N 3.19Å; W190-E192 VanDerWaalsContact C-N 3.3Å; W190-E192 PolarHBondContact O-N 3.38Å; W190-Q193 WeakPolarHBondContact O-CB 3.17Å; W190-Q193 PolarHBondContact O-N 3.32Å; W190-Q193 VanDerWaalsContact O-N 3.13Å; W190-E194 HydrophobicContact CH2-CG 4.23Å; W190-E194 HydrophobicContact CZ2-CG 4.04Å; W190-E194 PolarHBondContact O-N 3.47Å; W190-E194 VanDerWaalsContact O-N 3.09Å
191	L	85.9	Confident	88.2	Confident	79 Å²	79	106.4 Å²	106.4	41%	0.414	51%	0.514	S	S	.	.	H	α-helix	trans	-59.7	-39	175.1	-73.1	171.3	0	0	0	112	H187 I188 Q193 E194 L195	H187-L191 WeakPolarHBondContact O-CG 3.41Å; H187-L191 PolarHBondContact O-N 3.13Å; I188-L191 WeakPolarHBondContact O-CB 3.47Å; I188-L191 PolarHBondContact O-N 3.15Å; I188-L191 VanDerWaalsContact O-N 3.09Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 3.41Å; L191-E194 WeakPolarHBondContact O-CB 3.21Å; L191-E194 PolarHBondContact O-N 3.14Å; L191-L195 WeakPolarHBondContact O-CB 3.37Å; L191-L195 PolarHBondContact O-N 3.47Å
192	E	88.7	Confident	88.1	Confident	122 Å²	122	106 Å²	106	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-36.9	175.1	-72.1	-178.2	140.9	0	0	112.8	I188 W190 S196	I188-E192 HydrophobicContact CG2-CG 4.47Å; I188-E192 WeakPolarHBondContact O-CG 3.43Å; I188-E192 PolarHBondContact O-N 2.99Å; W190-E192 VanDerWaalsContact C-N 3.3Å; W190-E192 PolarHBondContact O-N 3.38Å; E192-S196 WeakPolarHBondContact O-CB 3.4Å; E192-S196 PolarHBondContact O-N 3.28Å
193	Q	88.2	Confident	87.9	Confident	137 Å²	137	102.7 Å²	102.7	64%	0.64	51%	0.507	S	S	*	.	H	α-helix	trans	-67.9	-45.9	174	-74.8	-174.1	-17.7	0	0	112.1	R189 W190 L191 L195 S196 Q197	R189-Q193 PolarHBondContact O-N 2.99Å; W190-Q193 WeakPolarHBondContact O-CB 3.17Å; W190-Q193 PolarHBondContact O-N 3.32Å; W190-Q193 VanDerWaalsContact O-N 3.13Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 3.41Å; Q193-L195 VanDerWaalsContact C-N 3.31Å; Q193-L195 PolarHBondContact O-N 2.93Å; Q193-S196 WeakPolarHBondContact O-CB 3.07Å; Q193-S196 PolarHBondContact O-N 3.42Å; Q193-Q197 PolarHBondContact O-N 3.16Å
194	E	88.6	Confident	87.8	Confident	104 Å²	104	102.4 Å²	102.4	49%	0.486	50%	0.5	S	S	.	.	H	α-helix	trans	-54.9	-45.8	173.3	-106.8	-83.4	105.6	0	0	111.7	W190 L191 Q197 T198	W190-E194 HydrophobicContact CH2-CG 4.23Å; W190-E194 HydrophobicContact CZ2-CG 4.04Å; W190-E194 PolarHBondContact O-N 3.47Å; W190-E194 VanDerWaalsContact O-N 3.09Å; L191-E194 WeakPolarHBondContact O-CB 3.21Å; L191-E194 PolarHBondContact O-N 3.14Å; E194-Q197 PolarHBondContact O-N 2.9Å; E194-T198 WeakPolarHBondContact O-CB 3.32Å; E194-T198 PolarHBondContact O-N 3.06Å; E194-T198 PolarHBondContact O-OG1 3.44Å
195	L	84.9	Confident	87.9	Confident	114 Å²	114	102.9 Å²	102.9	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-68.5	-38.6	-179.4	-144.1	162.5	0	0	0	111.3	L191 Q193 R199	L191-L195 WeakPolarHBondContact O-CB 3.37Å; L191-L195 PolarHBondContact O-N 3.47Å; Q193-L195 VanDerWaalsContact C-N 3.31Å; Q193-L195 PolarHBondContact O-N 2.93Å; L195-R199 WeakPolarHBondContact O-CB 3.39Å; L195-R199 PolarHBondContact O-N 3.22Å
196	S	89.2	Confident	87.7	Confident	64 Å²	64	103.7 Å²	103.7	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-59.4	-47.8	171.1	-175.7	0	0	0	0	111.9	E192 Q193 R199 I200	E192-S196 WeakPolarHBondContact O-CB 3.4Å; E192-S196 PolarHBondContact O-N 3.28Å; Q193-S196 WeakPolarHBondContact O-CB 3.07Å; Q193-S196 PolarHBondContact O-N 3.42Å; S196-R199 WeakPolarHBondContact O-CB 3.27Å; S196-R199 PolarHBondContact O-N 3.38Å; S196-R199 VanDerWaalsContact O-N 3.11Å; S196-I200 PolarHBondContact O-N 2.82Å
197	Q	86.5	Confident	87.5	Confident	116 Å²	116	107.3 Å²	107.3	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-69	-38.2	-177.2	-152.6	67.4	-3.4	0	0	112.4	Q193 E194 R199 I200 T201	Q193-Q197 PolarHBondContact O-N 3.16Å; E194-Q197 PolarHBondContact O-N 2.9Å; Q197-R199 VanDerWaalsContact C-N 3.29Å; Q197-R199 PolarHBondContact O-N 3.41Å; Q197-I200 PolarHBondContact O-N 3.04Å; Q197-T201 PolarHBondContact O-N 3.36Å; Q197-T201 VanDerWaalsContact O-N 3.08Å; Q197-T201 PolarHBondContact O-OG1 2.71Å
198	T	88.2	Confident	87.4	Confident	74 Å²	74	106.5 Å²	106.5	45%	0.454	51%	0.509	S	S	.	.	H	α-helix	trans	-58.6	-42.5	169.7	-61.2	0	0	0	0	110.9	E194 T201 L202	E194-T198 WeakPolarHBondContact O-CB 3.32Å; E194-T198 PolarHBondContact O-N 3.06Å; E194-T198 PolarHBondContact O-OG1 3.44Å; T198-T201 WeakPolarHBondContact O-CB 3.21Å; T198-T201 PolarHBondContact O-N 3.26Å; T198-L202 PolarHBondContact O-N 2.96Å
199	R	87.7	Confident	87.4	Confident	170 Å²	170	105.9 Å²	105.9	64%	0.642	51%	0.506	S	S	*	.	H	α-helix	trans	-68.1	-35.8	179.9	-157.6	169.7	-164.7	155.3	4.2	113.1	L195 S196 Q197 T201 L202 N203	L195-R199 WeakPolarHBondContact O-CB 3.39Å; L195-R199 PolarHBondContact O-N 3.22Å; S196-R199 WeakPolarHBondContact O-CB 3.27Å; S196-R199 PolarHBondContact O-N 3.38Å; S196-R199 VanDerWaalsContact O-N 3.11Å; Q197-R199 VanDerWaalsContact C-N 3.29Å; Q197-R199 PolarHBondContact O-N 3.41Å; R199-T201 VanDerWaalsContact C-N 3.34Å; R199-L202 PolarHBondContact O-N 2.96Å; R199-N203 WeakPolarHBondContact O-CB 3.48Å; R199-N203 VanDerWaalsContact O-CG 3.24Å; R199-N203 PolarHBondContact O-N 3.09Å; R199-N203 PolarHBondContact O-ND2 3.39Å
200	I	88.7	Confident	87.2	Confident	91 Å²	91	104 Å²	104	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-43.8	170.8	-69.3	167.2	0	0	0	110.5	S196 Q197 N203 A204	S196-I200 PolarHBondContact O-N 2.82Å; Q197-I200 PolarHBondContact O-N 3.04Å; I200-N203 PolarHBondContact O-N 3.4Å; I200-A204 PolarHBondContact O-N 2.83Å
201	T	88.7	Confident	87	Confident	82 Å²	82	104.1 Å²	104.1	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-40.3	178.3	-53.6	0	0	0	0	112	Q197 T198 R199 A204 R205	Q197-T201 PolarHBondContact O-N 3.36Å; Q197-T201 VanDerWaalsContact O-N 3.08Å; Q197-T201 PolarHBondContact O-OG1 2.71Å; T198-T201 WeakPolarHBondContact O-CB 3.21Å; T198-T201 PolarHBondContact O-N 3.26Å; R199-T201 VanDerWaalsContact C-N 3.34Å; T201-A204 WeakPolarHBondContact O-CB 3.39Å; T201-A204 PolarHBondContact O-N 3.07Å; T201-R205 PolarHBondContact O-N 2.96Å
202	L	84.8	Confident	87	Confident	97 Å²	97	106.1 Å²	106.1	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-46.2	174.5	-128.8	159.7	0	0	0	111.5	T198 R199 A204 R205 D206	T198-L202 PolarHBondContact O-N 2.96Å; R199-L202 PolarHBondContact O-N 2.96Å; L202-A204 PolarHBondContact O-N 3.48Å; L202-R205 PolarHBondContact O-N 3.21Å; L202-R205 VanDerWaalsContact O-N 3.14Å; L202-D206 PolarHBondContact O-N 3.46Å
203	N	86.7	Confident	86.8	Confident	87 Å²	87	105.4 Å²	105.4	47%	0.465	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-20.5	174.7	-69.9	-27.4	0	0	0	113.7	R199 I200 R207	R199-N203 WeakPolarHBondContact O-CB 3.48Å; R199-N203 VanDerWaalsContact O-CG 3.24Å; R199-N203 PolarHBondContact O-N 3.09Å; R199-N203 PolarHBondContact O-ND2 3.39Å; I200-N203 PolarHBondContact O-N 3.4Å; N203-R207 PolarHBondContact O-NE 3.33Å
204	A	87.2	Confident	86.6	Confident	38 Å²	38	102 Å²	102	31%	0.314	51%	0.506	S	S	.	.	H	α-helix	trans	-76.9	-47.6	169.9	0	0	0	0	0	110.8	I200 T201 L202 D206 R207 D208	I200-A204 PolarHBondContact O-N 2.83Å; T201-A204 WeakPolarHBondContact O-CB 3.39Å; T201-A204 PolarHBondContact O-N 3.07Å; L202-A204 PolarHBondContact O-N 3.48Å; A204-D206 PolarHBondContact O-N 3.21Å; A204-R207 WeakPolarHBondContact O-CB 3.35Å; A204-R207 PolarHBondContact O-N 2.79Å; A204-R207 VanDerWaalsContact O-N 3.1Å; A204-D208 PolarHBondContact O-N 3.33Å; A204-D208 VanDerWaalsContact O-N 3.15Å
205	R	87.9	Confident	86.3	Confident	174 Å²	174	100.4 Å²	100.4	66%	0.657	50%	0.503	S	S	*	.	H	α-helix	trans	-57.7	-42	176.7	-75	-80.5	170	99.8	-4.8	113	T201 L202 R207 D208 I209	T201-R205 PolarHBondContact O-N 2.96Å; L202-R205 PolarHBondContact O-N 3.21Å; L202-R205 VanDerWaalsContact O-N 3.14Å; R205-R207 VanDerWaalsContact C-N 3.31Å; R205-R207 PolarHBondContact O-N 2.95Å; R205-D208 PolarHBondContact O-N 3.17Å; R205-I209 WeakPolarHBondContact O-CG1 3.23Å; R205-I209 PolarHBondContact O-N 3.38Å
206	D	85.6	Confident	86.1	Confident	79 Å²	79	100 Å²	100	42%	0.422	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-38.7	176	-82	-19.9	0	0	0	112.4	L202 A204 I209 D210	L202-D206 PolarHBondContact O-N 3.46Å; A204-D206 PolarHBondContact O-N 3.21Å; D206-I209 PolarHBondContact O-N 3.22Å; D206-D210 PolarHBondContact O-N 2.67Å
207	R	85.8	Confident	85.7	Confident	163 Å²	163	101.5 Å²	101.5	62%	0.615	50%	0.504	S	S	*	.	H	α-helix	trans	-68.5	-33.2	176.8	-75.8	-180	-77.5	-178.7	-0.6	112.7	N203 A204 R205 K211	N203-R207 PolarHBondContact O-NE 3.33Å; A204-R207 WeakPolarHBondContact O-CB 3.35Å; A204-R207 PolarHBondContact O-N 2.79Å; A204-R207 VanDerWaalsContact O-N 3.1Å; R205-R207 VanDerWaalsContact C-N 3.31Å; R205-R207 PolarHBondContact O-N 2.95Å; R207-K211 PolarHBondContact O-N 2.67Å; R207-K211 VanDerWaalsContact O-N 3.09Å
208	D	86.4	Confident	85.4	Confident	81 Å²	81	101.9 Å²	101.9	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-71.7	-36.8	173.2	-68.5	-30.1	0	0	0	111.8	A204 R205 K211 L212	A204-D208 PolarHBondContact O-N 3.33Å; A204-D208 VanDerWaalsContact O-N 3.15Å; R205-D208 PolarHBondContact O-N 3.17Å; D208-K211 PolarHBondContact O-N 3.48Å; D208-L212 WeakPolarHBondContact O-CG 3.25Å; D208-L212 PolarHBondContact O-N 2.85Å
209	I	87.4	Confident	85	Confident	82 Å²	82	105.1 Å²	105.1	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-44.8	172.3	-71.7	163.8	0	0	0	111	R205 D206 L212 K213	R205-I209 WeakPolarHBondContact O-CG1 3.23Å; R205-I209 PolarHBondContact O-N 3.38Å; D206-I209 PolarHBondContact O-N 3.22Å; I209-L212 PolarHBondContact O-N 3.24Å; I209-K213 WeakPolarHBondContact O-CG 3.39Å; I209-K213 PolarHBondContact O-N 3.38Å
210	D	84.8	Confident	84.2	Confident	91 Å²	91	101.5 Å²	101.5	49%	0.487	51%	0.507	S	S	.	.	H	α-helix	trans	-69.2	-33.5	179.1	-75.9	-15.7	0	0	0	112.7	D206 K213 S214	D206-D210 PolarHBondContact O-N 2.67Å; D210-K213 PolarHBondContact O-N 3.16Å; D210-K213 IonicContact OD1-NZ 3.88Å; D210-K213 PolarHBondContact OD1-NZ 2.85Å; D210-S214 PolarHBondContact O-N 3.23Å
211	K	85.9	Confident	83.2	Confident	141 Å²	141	104 Å²	104	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-47	166.8	-81.3	177.5	178.2	171.4	0	111.9	R207 D208 K213 S214 V215	R207-K211 PolarHBondContact O-N 2.67Å; R207-K211 VanDerWaalsContact O-N 3.09Å; D208-K211 PolarHBondContact O-N 3.48Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 2.95Å; K211-S214 PolarHBondContact O-N 2.91Å; K211-V215 WeakPolarHBondContact O-CG2 3.36Å; K211-V215 PolarHBondContact O-N 3.06Å
212	L	85.7	Confident	81.7	Confident	122 Å²	122	106.3 Å²	106.3	64%	0.639	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-38.3	-179.5	-74.7	168.2	0	0	0	112.2	D208 I209 V215 L216	D208-L212 WeakPolarHBondContact O-CG 3.25Å; D208-L212 PolarHBondContact O-N 2.85Å; I209-L212 PolarHBondContact O-N 3.24Å; L212-V215 PolarHBondContact O-N 2.96Å; L212-L216 WeakPolarHBondContact O-CB 3.25Å; L212-L216 PolarHBondContact O-N 3.13Å
213	K	83.3	Confident	80.1	Confident	107 Å²	107	108.4 Å²	108.4	47%	0.465	54%	0.537	S	S	.	.	H	α-helix	trans	-60.4	-47.7	171	-70.3	173.7	-165.3	151.6	0	111.7	I209 D210 K211 V215 L216 D217	I209-K213 WeakPolarHBondContact O-CG 3.39Å; I209-K213 PolarHBondContact O-N 3.38Å; D210-K213 PolarHBondContact O-N 3.16Å; D210-K213 IonicContact OD1-NZ 3.88Å; D210-K213 PolarHBondContact OD1-NZ 2.85Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 2.95Å; K213-V215 VanDerWaalsContact C-N 3.3Å; K213-V215 PolarHBondContact O-N 2.96Å; K213-L216 WeakPolarHBondContact O-CA 3.37Å; K213-L216 WeakPolarHBondContact O-CB 3.5Å; K213-L216 PolarHBondContact O-N 2.77Å; K213-D217 PolarHBondContact O-N 2.75Å
214	S	83.7	Confident	78	Confident	64 Å²	64	110.9 Å²	110.9	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-59.8	-39.1	178.9	-177.4	0	0	0	0	112.7	D210 K211 Q218	D210-S214 PolarHBondContact O-N 3.23Å; K211-S214 PolarHBondContact O-N 2.91Å; S214-Q218 WeakPolarHBondContact O-CG 3.45Å; S214-Q218 PolarHBondContact O-N 2.99Å
215	V	83.7	Confident	75.5	Confident	71 Å²	71	114.8 Å²	114.8	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-66.9	-36.6	173.5	173.4	0	0	0	0	111.9	K211 L212 K213 K219	K211-V215 WeakPolarHBondContact O-CG2 3.36Å; K211-V215 PolarHBondContact O-N 3.06Å; L212-V215 PolarHBondContact O-N 2.96Å; K213-V215 VanDerWaalsContact C-N 3.3Å; K213-V215 PolarHBondContact O-N 2.96Å; V215-K219 PolarHBondContact O-N 2.91Å; V215-K219 VanDerWaalsContact O-N 3.11Å
216	L	80.8	Confident	73	Confident	105 Å²	105	111.1 Å²	111.1	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-67.7	-43.8	176.5	-171.3	66.6	0	0	0	111.6	L212 K213 Q218 K219 L220	L212-L216 WeakPolarHBondContact O-CB 3.25Å; L212-L216 PolarHBondContact O-N 3.13Å; K213-L216 WeakPolarHBondContact O-CA 3.37Å; K213-L216 WeakPolarHBondContact O-CB 3.5Å; K213-L216 PolarHBondContact O-N 2.77Å; L216-Q218 PolarHBondContact O-N 2.86Å; L216-K219 PolarHBondContact O-N 2.87Å; L216-L220 HydrophobicContact CG-CD1 4.27Å; L216-L220 PolarHBondContact O-N 2.84Å
217	D	81.1	Confident	70.5	Confident	96 Å²	96	116.7 Å²	116.7	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-63.4	-39.7	177.1	-70.9	-28.2	0	0	0	111.8	K213 L220 H221	K213-D217 PolarHBondContact O-N 2.75Å; D217-L220 PolarHBondContact O-N 3.34Å; D217-H221 PolarHBondContact O-N 3.06Å
218	Q	79.6	Confident	67.9	Low	125 Å²	125	116.9 Å²	116.9	58%	0.584	61%	0.613	S	S	*	*	H	α-helix	trans	-61.8	-42.3	171.9	-78.7	-175.4	-14.7	0	0	112.3	S214 L216 H221 N222	S214-Q218 WeakPolarHBondContact O-CG 3.45Å; S214-Q218 PolarHBondContact O-N 2.99Å; L216-Q218 PolarHBondContact O-N 2.86Å; Q218-H221 PolarHBondContact O-N 3.37Å; Q218-N222 PolarHBondContact O-N 3Å
219	K	78.5	Confident	65.3	Low	141 Å²	141	118.4 Å²	118.4	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-67.7	-35.7	176.3	-77	-172.9	174.4	-173.6	0	112.8	V215 L216 N223	V215-K219 PolarHBondContact O-N 2.91Å; V215-K219 VanDerWaalsContact O-N 3.11Å; L216-K219 PolarHBondContact O-N 2.87Å; K219-N223 PolarHBondContact O-N 2.84Å
220	L	71.7	Confident	62.5	Low	95 Å²	95	121.3 Å²	121.3	50%	0.497	64%	0.642	S	S	.	*	H	α-helix	trans	-66.9	-39.9	174.2	-85.4	161.2	0	0	0	112.1	L216 D217	L216-L220 HydrophobicContact CG-CD1 4.27Å; L216-L220 PolarHBondContact O-N 2.84Å; D217-L220 PolarHBondContact O-N 3.34Å
221	H	68.6	Low	59.9	Low	142 Å²	142	127.9 Å²	127.9	66%	0.657	66%	0.662	S	S	*	*	H	α-helix	trans	-65.4	-44.1	173.9	-100.9	73.4	0	0	0	112.6	D217 Q218 N223 N224	D217-H221 PolarHBondContact O-N 3.06Å; Q218-H221 PolarHBondContact O-N 3.37Å; H221-N223 PolarHBondContact O-N 2.99Å; H221-N224 PolarHBondContact O-N 3.33Å
222	N	56.6	Low	57.6	Low	132 Å²	132	126.4 Å²	126.4	71%	0.706	67%	0.667	S	S	*	*	H	α-helix	trans	-65.5	-23.2	-179.7	-77.7	4.2	0	0	0	113.8	Q218	Q218-N222 PolarHBondContact O-N 3Å
223	N	50.1	Low	55	Low	141 Å²	141	127.5 Å²	127.5	75%	0.754	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.8	176.8	-82.2	-6.1	0	0	0	114.4	K219 H221	K219-N223 PolarHBondContact O-N 2.84Å; H221-N223 PolarHBondContact O-N 2.99Å
224	N	43	Very low	52.5	Low	139 Å²	139	128.6 Å²	128.6	74%	0.743	69%	0.694	S	S	*	*	S	Bend	trans	-102.8	6.7	-177.6	-82.9	-22.5	0	0	0	114.2	H221	H221-N224 PolarHBondContact O-N 3.33Å
225	V	36.2	Very low	50.1	Low	120 Å²	120	131.2 Å²	131.2	73%	0.727	71%	0.709	S	S	*	*			trans	-130.4	70.9	-179.1	-167.8	0	0	0	0	111.7
226	A	34.9	Very low	47.6	Very low	97 Å²	97	135.7 Å²	135.7	80%	0.802	73%	0.729	S	S	*	*			trans	-161	92.8	159.2	0	0	0	0	0	111.4
227	Q	31.7	Very low	45	Very low	195 Å²	195	135.3 Å²	135.3	91%	0.911	74%	0.735	S	S	*	*			trans	-74.6	144.6	159.5	-72.4	176.2	-20.3	0	0	109.2
228	L	32.7	Very low	42.5	Very low	168 Å²	168	137.4 Å²	137.4	88%	0.88	75%	0.746	S	S	*	*			trans	-62.2	154.2	176.2	-72.4	161.6	0	0	0	111.7
229	P	31.4	Very low	40	Very low	113 Å²	113	137 Å²	137	73%	0.734	75%	0.753	S	S	*	*				-134	129.9	111.1	35.6	-26.4	0	0	0	115.3
230	I	28.9	Very low	37.7	Very low	143 Å²	143	136.2 Å²	136.2	73%	0.733	77%	0.765	S	S	*	*			trans	0.3	122.7	145.7	-53	165.6	0	0	0	117.2
231	Y	29.8	Very low	35.5	Very low	229 Å²	229	143.2 Å²	143.2	90%	0.898	78%	0.784	S	S	*	*			trans	-144.5	135.8	137.1	-81.4	-73.9	0	0	0	110
232	P	36.6	Very low	33.7	Very low	110 Å²	110	145.8 Å²	145.8	71%	0.714	80%	0.797	S	S	*	*			trans	-100.4	145.4	173.2	36.4	-30.5	0	0	0	112.2
233	V	31	Very low	32.2	Very low	145 Å²	145	145.5 Å²	145.5	88%	0.879	80%	0.8	S	S	*	*			trans	-163.5	154.2	138	158.6	0	0	0	0	108.8
234	T	31.1	Very low	31.2	Very low	130 Å²	130	146 Å²	146	80%	0.798	80%	0.801	S	S	*	*			trans	-76.9	172.9	-164.3	29.7	0	0	0	0	116.9
235	P	33.7	Very low	30.6	Very low	118 Å²	118	148.4 Å²	148.4	77%	0.766	81%	0.805	S	S	*	*			trans	-100.4	166.6	-153.7	39.7	-37.1	0	0	0	115.4
236	I	30.5	Very low	30.1	Very low	166 Å²	166	151 Å²	151	85%	0.851	81%	0.809	S	S	*	*			trans	-131.9	129.2	162.5	-65.4	179.1	0	0	0	109.2
237	S	26.5	Very low	29.8	Very low	96 Å²	96	154.3 Å²	154.3	67%	0.671	81%	0.813	S	S	*	*			trans	-80.9	135.7	160	50.3	0	0	0	0	109.6
238	D	29.5	Very low	29.7	Very low	141 Å²	141	149.8 Å²	149.8	75%	0.754	80%	0.799	S	S	*	*				-168.5	160.2	107.4	-124.5	-54.4	0	0	0	115.5
239	T	26.4	Very low	29.5	Very low	117 Å²	117	149.5 Å²	149.5	72%	0.718	80%	0.798	S	S	*	*			trans	-36.6	139.3	170.5	45.9	0	0	0	0	118.3
240	S	29.8	Very low	29.2	Very low	124 Å²	124	150.1 Å²	150.1	87%	0.867	80%	0.795	S	S	*	*			trans	-159	122.3	133.7	-87.8	0	0	0	0	112.2
241	R	25.9	Very low	29.2	Very low	241 Å²	241	149.7 Å²	149.7	91%	0.909	80%	0.799	S	S	*	*			trans	-72.3	135.7	166	-71	169.1	166.3	169	-5.4	108.9
242	Q	31.6	Very low	28.9	Very low	196 Å²	196	145 Å²	145	92%	0.916	79%	0.794	S	S	*	*			trans	-148.1	119.2	137.3	-117.5	174.3	30.4	0	0	112.6
243	T	24.3	Very low	28.5	Very low	127 Å²	127	142.7 Å²	142.7	78%	0.779	79%	0.79	S	S	*	*			trans	-59.9	140.8	171.6	-38.7	0	0	0	0	111.1
244	I	30.4	Very low	28.4	Very low	152 Å²	152	143.5 Å²	143.5	78%	0.779	79%	0.788	S	S	*	*			trans	-164.6	128.6	138.8	-105.2	152.1	0	0	0	112.2
245	K	29.8	Very low	27.9	Very low	189 Å²	189	143.9 Å²	143.9	82%	0.822	79%	0.79	S	S	*	*			trans	62.2	93.8	159.2	-67.3	173.8	-174.4	-179.9	0	119.2
246	Q	25.8	Very low	27.6	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.813	79%	0.788	S	S	*	*			trans	-39.9	148.8	141.7	-61.5	157.4	-43	0	0	112.3
247	N	29.4	Very low	27.3	Very low	166 Å²	166	142 Å²	142	89%	0.888	79%	0.787	S	S	*	*			trans	-140.2	79.1	148.4	-144.1	13.7	0	0	0	109
248	T	27.9	Very low	27.4	Very low	100 Å²	100	145.1 Å²	145.1	61%	0.613	80%	0.795	S	S	*	*			trans	-93.2	107.1	177.2	-50.6	0	0	0	0	108.7	N250	T248-N250 VanDerWaalsContact C-N 3.31Å; T248-N250 PolarHBondContact O-N 3.47Å; T248-N250 VanDerWaalsContact O-N 3.09Å
249	L	28.6	Very low	27.1	Very low	162 Å²	162	145.7 Å²	145.7	85%	0.848	80%	0.798	S	S	*	*			trans	-80.1	83.4	165.9	-87.4	164.5	0	0	0	109.3
250	N	26.9	Very low	27.3	Very low	126 Å²	126	144.9 Å²	144.9	67%	0.674	80%	0.803	S	S	*	*			trans	-75.6	119.1	161.5	-87.9	-3.2	0	0	0	108.9	T248	T248-N250 VanDerWaalsContact C-N 3.31Å; T248-N250 PolarHBondContact O-N 3.47Å; T248-N250 VanDerWaalsContact O-N 3.09Å
251	V	28	Very low	26.9	Very low	135 Å²	135	145.8 Å²	145.8	82%	0.818	80%	0.803	S	S	*	*			trans	-111.2	93.2	159.4	179.8	0	0	0	0	107.3
252	T	24.3	Very low	26.9	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	79%	0.792	S	S	*	*			trans	-108	108.1	166.1	48.4	0	0	0	0	107.9
253	G	27.4	Very low	26.6	Very low	60 Å²	60	137 Å²	137	62%	0.619	79%	0.793	S	S	*	*			trans	-153.3	97.5	-177	0	0	0	0	0	112.2
254	I	28.1	Very low	26.7	Very low	162 Å²	162	136 Å²	136	83%	0.831	79%	0.788	S	S	*	*			trans	65.3	98.1	154.3	-52	158.9	0	0	0	116.1
255	T	21.2	Very low	26.4	Very low	138 Å²	138	137.6 Å²	137.6	85%	0.847	79%	0.792	S	S	*	*			trans	-68.2	146.2	145	34.6	0	0	0	0	110.3
256	P	27.9	Very low	26.1	Very low	111 Å²	111	133.6 Å²	133.6	72%	0.721	79%	0.788	S	S	*	*				-122.2	133.9	130	33.6	-28.5	0	0	0	111.5
257	T	23.2	Very low	26.1	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	79%	0.79	S	S	*	*			trans	-58.8	129.4	166	11.5	0	0	0	0	110.9
258	L	28.8	Very low	25.9	Very low	161 Å²	161	128.8 Å²	128.8	84%	0.843	78%	0.784	S	S	*	*			trans	-135.7	104.9	158.2	-96.1	169.8	0	0	0	109.7
259	N	23.4	Very low	25.8	Very low	153 Å²	153	132 Å²	132	82%	0.818	79%	0.792	S	S	*	*			trans	-68.7	129	158.5	-74.2	-19.9	0	0	0	108
260	A	29.8	Very low	25.5	Very low	100 Å²	100	133.7 Å²	133.7	83%	0.826	80%	0.795	S	S	*	*			trans	-137.3	78.2	168.7	0	0	0	0	0	109.6
261	T	23.4	Very low	25.5	Very low	142 Å²	142	133.2 Å²	133.2	87%	0.871	79%	0.791	S	S	*	*			trans	-71.1	129.3	164.9	43.9	0	0	0	0	110.4
262	G	25.1	Very low	25.5	Very low	66 Å²	66	131.5 Å²	131.5	68%	0.68	78%	0.784	S	S	*	*			trans	88.4	103.4	157.8	0	0	0	0	0	117.1
263	M	25.8	Very low	25.8	Very low	187 Å²	187	129.9 Å²	129.9	92%	0.921	78%	0.784	S	S	*	*			trans	-141	148.3	140.1	-86.2	-58.7	157.7	0	0	108.7
264	P	26.3	Very low	26	Very low	106 Å²	106	134.2 Å²	134.2	69%	0.688	79%	0.794	S	S	*	*			trans	-89.2	154.5	-161.2	34.7	-36.6	0	0	0	114.6	S266	P264-S266 PolarHBondContact O-N 2.85Å
265	E	23.5	Very low	26.7	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.864	79%	0.788	S	S	*	*	S	Bend	trans	-68	108.3	161.6	-63.1	178.1	133.3	0	0	109.9
266	S	23.9	Very low	28	Very low	105 Å²	105	134 Å²	134	73%	0.734	78%	0.78	S	S	*	*			trans	168.9	74.9	152.2	40	0	0	0	0	112.6	P264	P264-S266 PolarHBondContact O-N 2.85Å
267	I	26.1	Very low	29.7	Very low	165 Å²	165	132.7 Å²	132.7	85%	0.846	76%	0.761	S	S	*	*			trans	-128.3	116.8	155.8	-61.4	-177.5	0	0	0	107.6	Q269	I267-Q269 PolarHBondContact O-N 2.74Å; I267-Q269 VanDerWaalsContact O-N 3.13Å
268	G	24.7	Very low	32.1	Very low	74 Å²	74	131.5 Å²	131.5	76%	0.763	75%	0.754	S	S	*	*			trans	-62.4	113.6	-179.8	0	0	0	0	0	110.8	Q270	G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 3.24Å
269	Q	24.9	Very low	34.4	Very low	168 Å²	168	128.8 Å²	128.8	79%	0.785	74%	0.735	S	S	*	*			trans	-70.2	91.4	165.1	-74.5	-176.1	-15.5	0	0	108.9	I267 M271	I267-Q269 PolarHBondContact O-N 2.74Å; I267-Q269 VanDerWaalsContact O-N 3.13Å; Q269-M271 HydrophobicContact CB-CG 4.06Å; Q269-M271 PolarHBondContact O-N 2.95Å
270	Q	23.3	Very low	37.3	Very low	197 Å²	197	123.1 Å²	123.1	92%	0.921	70%	0.703	S	S	*	*			trans	-61.2	84.8	141.5	-80.7	-175	-30	0	0	106.9	G268 S272	G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 3.24Å; Q270-S272 PolarHBondContact O-N 3.31Å; Q270-S272 VanDerWaalsContact O-N 3.15Å
271	M	26	Very low	39.7	Very low	117 Å²	117	125.4 Å²	125.4	58%	0.576	70%	0.697	S	S	*	*			trans	-60.7	117	166.7	-70.9	-168	67.8	0	0	107.2	Q269 A273	Q269-M271 HydrophobicContact CB-CG 4.06Å; Q269-M271 PolarHBondContact O-N 2.95Å; M271-A273 PolarHBondContact O-N 3.42Å; M271-A273 VanDerWaalsContact O-N 3.16Å
272	S	27.5	Very low	41.9	Very low	98 Å²	98	119.6 Å²	119.6	69%	0.685	67%	0.665	S	S	*	*			trans	-52.7	121.8	163.6	38.5	0	0	0	0	108.3	Q270 D274	Q270-S272 PolarHBondContact O-N 3.31Å; Q270-S272 VanDerWaalsContact O-N 3.15Å; S272-D274 PolarHBondContact O-N 3.43Å
273	A	31.8	Very low	44.6	Very low	97 Å²	97	118 Å²	118	80%	0.802	64%	0.642	S	S	*	*	S	Bend	trans	-70.1	-2.6	-170.3	0	0	0	0	0	113.7	M271 K275	M271-A273 PolarHBondContact O-N 3.42Å; M271-A273 VanDerWaalsContact O-N 3.16Å; A273-K275 PolarHBondContact O-N 3.06Å
274	D	30.9	Very low	46.9	Very low	152 Å²	152	109.9 Å²	109.9	81%	0.813	60%	0.604	S	S	*	*			trans	-79.6	44.7	178.1	-65	-45.8	0	0	0	113.8	S272 L276	S272-D274 PolarHBondContact O-N 3.43Å; D274-L276 PolarHBondContact O-N 3.19Å
275	K	42.1	Very low	48.9	Very low	163 Å²	163	105 Å²	105	71%	0.709	57%	0.573	S	S	*	*			trans	-66.4	97.3	149.1	-91.4	-172	177	177.2	0	106.8	A273 R277	A273-K275 PolarHBondContact O-N 3.06Å; K275-R277 PolarHBondContact O-N 2.9Å
276	L	49.5	Very low	51.1	Low	131 Å²	131	98.9 Å²	98.9	69%	0.686	54%	0.544	S	S	*	.			trans	-44.2	102.6	-179.3	-155.3	84.4	0	0	0	110.2	D274 T278	D274-L276 PolarHBondContact O-N 3.19Å; L276-T278 PolarHBondContact O-N 3.2Å; L276-T278 VanDerWaalsContact O-N 3.1Å
277	R	64.5	Low	52.9	Low	84 Å²	84	95.3 Å²	95.3	32%	0.317	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-59.4	118.6	-174.3	-68.6	-175.9	-177.8	168.8	1.4	109.1	K275 W692 R696 G699 G799	K275-R277 PolarHBondContact O-N 2.9Å; R277-W692 WeakPolarHBondContact O-CH2 2.93Å; R277-W692 VanDerWaalsContact O-CZ2 3.26Å; R277-W692 WeakPolarHBondContact O-CZ2 3.44Å; R277-R696 HydrophobicContact CB-CG 4.47Å; R277-G699 PolarHBondContact NH1-O 3.08Å; R277-G699 PolarHBondContact NH2-O 2.79Å; R277-G699 VanDerWaalsContact NH2-O 3.12Å; R277-G799 PolarHBondContact NE-O 3.27Å; R277-G799 PolarHBondContact NH1-O 3.43Å; R277-G799 PolarHBondContact NH2-O 3Å
278	T	72.9	Confident	54.6	Low	111 Å²	111	88.1 Å²	88.1	68%	0.681	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-97.7	152	178.6	44.4	0	0	0	0	111	L276	L276-T278 PolarHBondContact O-N 3.2Å; L276-T278 VanDerWaalsContact O-N 3.1Å
279	K	77.5	Confident	56.1	Low	104 Å²	104	87.9 Å²	87.9	45%	0.452	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-67.8	137.2	173.7	-71.4	-173.8	177.1	-178.3	0	110.5	E690 W692 E733	K279-E690 WeakPolarHBondContact CE-OE2 3.27Å; K279-E690 IonicContact NZ-OE1 2.99Å; K279-E690 PolarHBondContact NZ-OE1 2.96Å; K279-E690 IonicContact NZ-OE2 2.65Å; K279-E690 PolarHBondContact NZ-OE2 3.28Å; K279-W692 HydrophobicContact CB-CZ2 4.48Å; K279-W692 HydrophobicContact CD-CE3 4.41Å; K279-W692 HydrophobicContact CD-CZ3 4.46Å; K279-W692 HydrophobicContact CG-CD2 3.86Å; K279-W692 HydrophobicContact CG-CE3 3.88Å; K279-W692 HydrophobicContact CG-CH2 3.78Å; K279-W692 HydrophobicContact CG-CZ2 3.73Å; K279-W692 HydrophobicContact CG-CZ3 3.85Å; K279-E733 HydrophobicContact CB-CG 4.14Å; K279-E733 HydrophobicContact CD-CG 4.45Å; K279-E733 HydrophobicContact CG-CG 4.07Å
280	K	84	Confident	57.4	Low	34 Å²	34	81.9 Å²	81.9	15%	0.148	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-87.9	132.6	-178.6	-58.9	169.4	-172.8	141.2	0	111.7	K731 E733 T766 Y769 E795	K280-K731 PolarHBondContact O-NZ 2.93Å; K280-E733 WeakPolarHBondContact CB-OE1 3.39Å; K280-E733 PolarHBondContact N-OE1 3.17Å; K280-T766 HydrophobicContact CB-CG2 3.47Å; K280-T766 VanDerWaalsContact CB-CG2 3.47Å; K280-T766 HydrophobicContact CD-CG2 4.07Å; K280-T766 HydrophobicContact CG-CG2 4.35Å; K280-Y769 HydrophobicContact CD-CE2 4.39Å; K280-E795 IonicContact NZ-OE1 3.78Å; K280-E795 PolarHBondContact NZ-OE1 3.2Å; K280-E795 IonicContact NZ-OE2 2.67Å; K280-E795 PolarHBondContact NZ-OE2 3.48Å
281	Q	78.8	Confident	58.6	Low	148 Å²	148	80.2 Å²	80.2	69%	0.692	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-100.6	130.4	-179.5	-166.6	163.2	10.1	0	0	111.3
282	G	71.5	Confident	59.9	Low	20 Å²	20	79.4 Å²	79.4	21%	0.206	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-72.2	148.9	176.2	0	0	0	0	0	112.5	T766	G282-T766 WeakPolarHBondContact CA-OG1 3.5Å
283	V	80.4	Confident	61.5	Low	31 Å²	31	78.5 Å²	78.5	19%	0.188	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.4	173.5	-63.2	0	0	0	0	111	Y388 F750 F763 C764 G765	V283-Y388 HydrophobicContact CB-CD2 3.63Å; V283-Y388 HydrophobicContact CB-CE2 3.82Å; V283-Y388 HydrophobicContact CB-CG 4.15Å; V283-Y388 HydrophobicContact CG1-CD2 3.99Å; V283-Y388 HydrophobicContact CG1-CE2 3.64Å; V283-Y388 HydrophobicContact CG2-CD1 4.28Å; V283-Y388 HydrophobicContact CG2-CD2 3.99Å; V283-Y388 HydrophobicContact CG2-CE1 4.48Å; V283-Y388 HydrophobicContact CG2-CE2 4.15Å; V283-Y388 HydrophobicContact CG2-CG 4.05Å; V283-F750 VanDerWaalsContact O-CE2 3.3Å; V283-F750 WeakPolarHBondContact O-CE2 3.22Å; V283-F750 VanDerWaalsContact O-CZ 3.32Å; V283-F750 WeakPolarHBondContact O-CZ 3.34Å; V283-F763 HydrophobicContact CG2-CD1 4.43Å; V283-F763 HydrophobicContact CG2-CE1 3.86Å; V283-C764 CarbonylContact O-C 3.53Å; V283-C764 WeakPolarHBondContact O-CA 3.46Å; V283-G765 VanDerWaalsContact CG2-O 3.31Å; V283-G765 WeakPolarHBondContact CG2-O 3.45Å; V283-G765 PolarHBondContact N-O 2.98Å; V283-G765 PolarHBondContact O-N 2.86Å
284	S	75.6	Confident	62.9	Low	17 Å²	17	77.6 Å²	77.6	12%	0.119	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	142.6	177.3	-164.8	0	0	0	0	112.1	N389 H650 F763	S284-N389 PolarHBondContact O-N 3.24Å; S284-H650 PolarHBondContact OG-CE1 2.78Å; S284-H650 VanDerWaalsContact OG-CE1 3.31Å; S284-F763 CarbonylContact C-O 3.5Å; S284-F763 WeakPolarHBondContact CA-O 3.4Å
285	G	67.3	Low	64.9	Low	5 Å²	5	73.6 Å²	73.6	5%	0.052	41%	0.411	C	S	.	.			trans	-95.6	176.3	171.9	0	0	0	0	0	112.9	F763	G285-F763 PolarHBondContact N-O 2.88Å
286	E	69.9	Low	66.9	Low	55 Å²	55	68 Å²	68	26%	0.257	39%	0.389	S	S	.	.			trans	-66.1	138.9	170.7	-61.3	-168.1	153.7	0	0	109.6	F288 R410 R646	E286-F288 PolarHBondContact O-N 3.47Å; E286-R410 IonicContact OE1-NH2 3.57Å; E286-R410 IonicContact OE2-CZ 3.6Å; E286-R410 IonicContact OE2-NE 3.44Å; E286-R410 PolarHBondContact OE2-NE 2.81Å; E286-R410 IonicContact OE2-NH2 2.85Å; E286-R410 PolarHBondContact OE2-NH2 3.36Å; E286-R646 IonicContact OE1-NH1 2.76Å; E286-R646 PolarHBondContact OE1-NH1 3.41Å
287	S	61.4	Low	68.9	Low	31 Å²	31	66.3 Å²	66.3	22%	0.217	38%	0.384	C	S	.	.			trans	-79.5	103.7	179	-81.7	0	0	0	0	111.2	T762	S287-T762 WeakPolarHBondContact CA-OG1 3.32Å; S287-T762 WeakPolarHBondContact CB-OG1 3.42Å; S287-T762 VanDerWaalsContact OG-CG2 3.26Å; S287-T762 WeakPolarHBondContact OG-CG2 3.39Å; S287-T762 PolarHBondContact OG-OG1 2.97Å
288	F	63	Low	70.3	Confident	13 Å²	13	67.7 Å²	67.7	6%	0.057	39%	0.394	C	S	.	.			trans	-69.7	135.8	169.7	-120.3	-94.3	0	0	0	111.2	E286 Q292 R410 Q413 Q414 M417	E286-F288 PolarHBondContact O-N 3.47Å; F288-Q292 HydrophobicContact CD1-CB 4.27Å; F288-Q292 HydrophobicContact CE1-CB 3.79Å; F288-Q292 HydrophobicContact CZ-CB 4.38Å; F288-R410 HydrophobicContact CE2-CB 4.15Å; F288-R410 HydrophobicContact CE2-CG 4.19Å; F288-R410 HydrophobicContact CZ-CB 4.4Å; F288-Q413 HydrophobicContact CD2-CB 4.03Å; F288-Q413 VanDerWaalsContact CD2-OE1 3.27Å; F288-Q413 HydrophobicContact CE2-CB 4.18Å; F288-Q413 HydrophobicContact CG-CB 4.5Å; F288-Q414 HydrophobicContact CE1-CG 3.56Å; F288-Q414 HydrophobicContact CZ-CG 3.64Å; F288-M417 HydrophobicContact CD1-CE 4.22Å
289	T	54.2	Low	71.3	Confident	69 Å²	69	66 Å²	66	42%	0.423	38%	0.378	S	S	.	.			trans	-117.5	149	171.3	53.2	0	0	0	0	109.6	D291 Q292	T289-D291 PolarHBondContact O-N 2.86Å; T289-D291 VanDerWaalsContact O-N 3.12Å; T289-Q292 PolarHBondContact O-N 3.47Å
290	G	52.3	Low	72	Confident	42 Å²	42	69 Å²	69	43%	0.433	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-56.4	-30.7	-174.5	0	0	0	0	0	114.3	Q292 L293	G290-Q292 PolarHBondContact O-N 3Å; G290-Q292 VanDerWaalsContact O-N 3.15Å; G290-L293 PolarHBondContact O-N 3.15Å
291	D	49	Very low	72.5	Confident	163 Å²	163	69.5 Å²	69.5	87%	0.872	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-68.9	-8.6	-179.6	-55	-33.7	0	0	0	113.8	T289 L293	T289-D291 PolarHBondContact O-N 2.86Å; T289-D291 VanDerWaalsContact O-N 3.12Å; D291-L293 VanDerWaalsContact C-N 3.35Å
292	Q	53.7	Low	73.2	Confident	100 Å²	100	66.7 Å²	66.7	47%	0.467	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-92.6	15.8	175.5	-62.1	-172.9	7.6	0	0	113.6	F288 T289 G290 S294 Q414	F288-Q292 HydrophobicContact CD1-CB 4.27Å; F288-Q292 HydrophobicContact CE1-CB 3.79Å; F288-Q292 HydrophobicContact CZ-CB 4.38Å; T289-Q292 PolarHBondContact O-N 3.47Å; G290-Q292 PolarHBondContact O-N 3Å; G290-Q292 VanDerWaalsContact O-N 3.15Å; Q292-S294 PolarHBondContact O-N 3Å; Q292-Q414 PolarHBondContact O-NE2 3.11Å
293	L	60.4	Low	74.3	Confident	78 Å²	78	71.9 Å²	71.9	41%	0.408	42%	0.419	S	S	.	.			trans	-75.4	72	170	-77.2	167.8	0	0	0	111.4	G290 D291 Q414 M417	G290-L293 PolarHBondContact O-N 3.15Å; D291-L293 VanDerWaalsContact C-N 3.35Å; L293-Q414 HydrophobicContact CD2-CB 4.5Å; L293-Q414 HydrophobicContact CD2-CG 4.43Å; L293-M417 HydrophobicContact CD1-CE 3.72Å; L293-M417 HydrophobicContact CD2-CE 3.8Å; L293-M417 HydrophobicContact CG-CE 3.53Å
294	S	61.5	Low	74.9	Confident	78 Å²	78	77.4 Å²	77.4	55%	0.545	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-64.6	144.6	156	58	0	0	0	0	109.5	Q292 L296 Q414	Q292-S294 PolarHBondContact O-N 3Å; S294-L296 PolarHBondContact O-N 3.36Å; S294-Q414 PolarHBondContact OG-NE2 2.88Å; S294-Q414 VanDerWaalsContact OG-NE2 3.08Å
295	G	73.1	Confident	75.9	Confident	69 Å²	69	76.6 Å²	76.6	71%	0.711	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-54.5	135.5	175.7	0	0	0	0	0	112
296	L	85	Confident	77.3	Confident	46 Å²	46	77.7 Å²	77.7	24%	0.241	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-64.1	136.9	177.6	-70.7	168.6	0	0	0	109.9	S294 E329 V411 Q414 I415	S294-L296 PolarHBondContact O-N 3.36Å; L296-E329 HydrophobicContact CD1-CG 3.77Å; L296-E329 WeakPolarHBondContact CD1-OE1 3.31Å; L296-V411 HydrophobicContact CD2-CG1 3.92Å; L296-Q414 HydrophobicContact CD2-CB 3.88Å; L296-I415 HydrophobicContact CD1-CG1 3.81Å; L296-I415 HydrophobicContact CD2-CG1 3.98Å
297	V	90.2	Very high	78.5	Confident	95 Å²	95	77.5 Å²	77.5	58%	0.576	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-93	116.4	178	179.9	0	0	0	0	108.4
298	H	94	Very high	80.2	Confident	113 Å²	113	77.1 Å²	77.1	52%	0.523	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-88	145.5	172.8	-63.4	173.7	0	0	0	110.4	E329	H298-E329 IonicContact CD2-OE1 3.74Å; H298-E329 IonicContact CE1-OE1 3.63Å; H298-E329 IonicContact NE2-OE1 2.73Å; H298-E329 PolarHBondContact NE2-OE1 3.15Å; H298-E329 IonicContact NE2-OE2 4Å
299	H	94.8	Very high	81.8	Confident	75 Å²	75	76.5 Å²	76.5	35%	0.347	44%	0.435	S	S	.	.			trans	-123.1	131.9	178.8	-63.3	-81.7	0	0	0	110.2	K301 A332 C333	H299-K301 WeakPolarHBondContact O-CG 3.33Å; H299-K301 PolarHBondContact O-NZ 2.88Å; H299-A332 PolarHBondContact N-O 3.38Å; H299-C333 PolarHBondContact CD2-O 2.63Å
300	D	92.3	Very high	83.8	Confident	168 Å²	168	77.4 Å²	77.4	90%	0.898	43%	0.431	S	S	*	.			trans	-60.6	140.6	177.9	-64.6	-44.3	0	0	0	112.3
301	K	93.7	Very high	85.8	Confident	43 Å²	43	78.9 Å²	78.9	19%	0.187	43%	0.429	C	S	.	.			trans	-146.1	148.4	-179.3	-56.3	-176.6	-176.6	66.6	0	110.2	H299 S306 I309 V331 A332 M334 W405	H299-K301 WeakPolarHBondContact O-CG 3.33Å; H299-K301 PolarHBondContact O-NZ 2.88Å; K301-S306 WeakPolarHBondContact CB-OG 3.46Å; K301-I309 HydrophobicContact CD-CD1 3.67Å; K301-V331 WeakPolarHBondContact CD-O 3.29Å; K301-V331 WeakPolarHBondContact CE-O 3.4Å; K301-V331 PolarHBondContact NZ-O 3.41Å; K301-A332 PolarHBondContact NZ-O 3.37Å; K301-M334 WeakPolarHBondContact CE-O 3.41Å; K301-M334 PolarHBondContact NZ-O 2.9Å; K301-W405 HydrophobicContact CB-CH2 4.42Å; K301-W405 HydrophobicContact CD-CE3 4.31Å; K301-W405 HydrophobicContact CD-CH2 3.95Å; K301-W405 HydrophobicContact CD-CZ2 4.34Å; K301-W405 HydrophobicContact CD-CZ3 3.92Å; K301-W405 VanDerWaalsContact CE-CZ3 3.42Å; K301-W405 HydrophobicContact CG-CH2 3.64Å; K301-W405 HydrophobicContact CG-CZ2 4.26Å; K301-W405 HydrophobicContact CG-CZ3 3.93Å
302	D	94	Very high	88	Confident	89 Å²	89	71.3 Å²	71.3	48%	0.476	39%	0.389	S	S	.	.			trans	-72.3	162.9	163.6	58.4	69.1	0	0	0	111.8	W304 S305 S306	D302-W304 VanDerWaalsContact C-N 3.27Å; D302-W304 PolarHBondContact O-N 2.88Å; D302-W304 PolarHBondContact OD1-N 3.15Å; D302-S305 PolarHBondContact O-N 2.91Å; D302-S305 VanDerWaalsContact OD1-CB 3.25Å; D302-S305 WeakPolarHBondContact OD1-CB 3.43Å; D302-S305 PolarHBondContact OD1-N 3.41Å; D302-S305 PolarHBondContact OD1-OG 3.41Å; D302-S305 PolarHBondContact OD2-OG 2.86Å; D302-S305 VanDerWaalsContact OD2-OG 3.12Å; D302-S306 WeakPolarHBondContact O-CB 3.45Å; D302-S306 PolarHBondContact O-N 2.9Å; D302-S306 PolarHBondContact O-OG 3.14Å
303	T	93.8	Very high	89.9	Confident	129 Å²	129	66.6 Å²	66.6	79%	0.791	37%	0.367	S	S	*	.	H	α-helix	trans	-60.5	-36	-178	-42.3	0	0	0	0	112.4	S306 S307	T303-S306 PolarHBondContact O-N 3.36Å; T303-S307 PolarHBondContact O-N 3.43Å
304	W	94.1	Very high	91.4	Very high	147 Å²	147	65.4 Å²	65.4	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-67.6	-48.3	-179.6	175.4	79.4	0	0	0	111.5	D302 S306 S307 L308 V377	D302-W304 VanDerWaalsContact C-N 3.27Å; D302-W304 PolarHBondContact O-N 2.88Å; D302-W304 PolarHBondContact OD1-N 3.15Å; W304-S306 VanDerWaalsContact C-N 3.26Å; W304-S306 PolarHBondContact O-N 3.23Å; W304-S307 PolarHBondContact O-N 3.35Å; W304-L308 HydrophobicContact CH2-CD2 3.85Å; W304-L308 HydrophobicContact CZ2-CD1 4.46Å; W304-L308 HydrophobicContact CZ2-CD2 4.19Å; W304-L308 HydrophobicContact CZ3-CD2 4.19Å; W304-L308 WeakPolarHBondContact O-CB 3.15Å; W304-L308 PolarHBondContact O-N 3.01Å; W304-V377 HydrophobicContact CH2-CG1 4.46Å
305	S	95.8	Very high	92.7	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.007	37%	0.374	C	S	.	.	H	α-helix	trans	-59	-39.1	174.8	-65.4	0	0	0	0	111.6	D302 L308 I309	D302-S305 PolarHBondContact O-N 2.91Å; D302-S305 VanDerWaalsContact OD1-CB 3.25Å; D302-S305 WeakPolarHBondContact OD1-CB 3.43Å; D302-S305 PolarHBondContact OD1-N 3.41Å; D302-S305 PolarHBondContact OD1-OG 3.41Å; D302-S305 PolarHBondContact OD2-OG 2.86Å; D302-S305 VanDerWaalsContact OD2-OG 3.12Å; S305-L308 PolarHBondContact O-N 3.47Å; S305-I309 WeakPolarHBondContact O-CD1 3.28Å; S305-I309 VanDerWaalsContact O-CG1 3.23Å; S305-I309 WeakPolarHBondContact O-CG1 3.15Å; S305-I309 PolarHBondContact O-N 3.49Å
306	S	96.4	Very high	93.4	Very high	27 Å²	27	65.5 Å²	65.5	19%	0.189	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-41.2	178.8	-53.7	0	0	0	0	112	K301 D302 T303 W304 R310	K301-S306 WeakPolarHBondContact CB-OG 3.46Å; D302-S306 WeakPolarHBondContact O-CB 3.45Å; D302-S306 PolarHBondContact O-N 2.9Å; D302-S306 PolarHBondContact O-OG 3.14Å; T303-S306 PolarHBondContact O-N 3.36Å; W304-S306 VanDerWaalsContact C-N 3.26Å; W304-S306 PolarHBondContact O-N 3.23Å; S306-R310 WeakPolarHBondContact O-CB 3.5Å; S306-R310 PolarHBondContact O-N 3.18Å
307	S	96.4	Very high	93.3	Very high	52 Å²	52	67.1 Å²	67.1	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-49.2	170.8	-160.5	0	0	0	0	110.9	T303 W304 I309 R310 D311	T303-S307 PolarHBondContact O-N 3.43Å; W304-S307 PolarHBondContact O-N 3.35Å; S307-I309 VanDerWaalsContact C-N 3.28Å; S307-I309 PolarHBondContact O-N 2.64Å; S307-R310 CarbonylContact O-C 3.52Å; S307-R310 WeakPolarHBondContact O-CA 3.41Å; S307-R310 WeakPolarHBondContact O-CB 3.39Å; S307-R310 PolarHBondContact O-N 3.19Å; S307-D311 WeakPolarHBondContact O-CB 3.25Å; S307-D311 PolarHBondContact O-N 2.89Å; S307-D311 PolarHBondContact OG-OD2 3.11Å
308	L	96.5	Very high	92.9	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-42.9	-178.1	-172.7	74.5	0	0	0	112.6	W304 S305 A312 V377	W304-L308 HydrophobicContact CH2-CD2 3.85Å; W304-L308 HydrophobicContact CZ2-CD1 4.46Å; W304-L308 HydrophobicContact CZ2-CD2 4.19Å; W304-L308 HydrophobicContact CZ3-CD2 4.19Å; W304-L308 WeakPolarHBondContact O-CB 3.15Å; W304-L308 PolarHBondContact O-N 3.01Å; S305-L308 PolarHBondContact O-N 3.47Å; L308-A312 WeakPolarHBondContact O-CB 3.3Å; L308-A312 PolarHBondContact O-N 3.29Å; L308-V377 HydrophobicContact CD1-CG1 4.03Å; L308-V377 HydrophobicContact CD2-CG1 3.96Å
309	I	96.4	Very high	92.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-48.2	175.5	-64.4	160.7	0	0	0	110.8	K301 S305 S307 D311 A312 I313 V331 M334 W405	K301-I309 HydrophobicContact CD-CD1 3.67Å; S305-I309 WeakPolarHBondContact O-CD1 3.28Å; S305-I309 VanDerWaalsContact O-CG1 3.23Å; S305-I309 WeakPolarHBondContact O-CG1 3.15Å; S305-I309 PolarHBondContact O-N 3.49Å; S307-I309 VanDerWaalsContact C-N 3.28Å; S307-I309 PolarHBondContact O-N 2.64Å; I309-D311 VanDerWaalsContact C-N 3.33Å; I309-D311 PolarHBondContact O-N 2.87Å; I309-A312 PolarHBondContact O-N 3.28Å; I309-I313 HydrophobicContact CG2-CD1 3.64Å; I309-I313 HydrophobicContact CG2-CG1 4.43Å; I309-I313 WeakPolarHBondContact O-CB 3.36Å; I309-I313 VanDerWaalsContact O-CG1 3.28Å; I309-I313 WeakPolarHBondContact O-CG1 3.36Å; I309-I313 PolarHBondContact O-N 2.66Å; I309-V331 HydrophobicContact CB-CG2 4.14Å; I309-V331 HydrophobicContact CG2-CB 4.38Å; I309-V331 HydrophobicContact CG2-CG2 3.69Å; I309-M334 HydrophobicContact CB-SD 4.44Å; I309-M334 HydrophobicContact CD1-CB 4.27Å; I309-M334 HydrophobicContact CD1-SD 4.33Å; I309-M334 HydrophobicContact CG1-SD 4.19Å; I309-M334 HydrophobicContact CG2-SD 3.37Å; I309-M334 WeakPolarHBondContact CG2-SD 3.47Å; I309-W405 HydrophobicContact CD1-CB 4.09Å; I309-W405 HydrophobicContact CD1-CD2 3.71Å; I309-W405 HydrophobicContact CD1-CE3 4.21Å; I309-W405 HydrophobicContact CD1-CG 3.6Å; I309-W405 HydrophobicContact CG1-CB 4.02Å; I309-W405 HydrophobicContact CG1-CD2 4.35Å; I309-W405 HydrophobicContact CG1-CG 3.73Å
310	R	96.4	Very high	92.1	Very high	88 Å²	88	59.5 Å²	59.5	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-45.2	179.1	179.5	-165.2	-58.3	-100.8	-13.4	111.7	S306 S307 I313 S314 I327 E328 V331	S306-R310 WeakPolarHBondContact O-CB 3.5Å; S306-R310 PolarHBondContact O-N 3.18Å; S307-R310 CarbonylContact O-C 3.52Å; S307-R310 WeakPolarHBondContact O-CA 3.41Å; S307-R310 WeakPolarHBondContact O-CB 3.39Å; S307-R310 PolarHBondContact O-N 3.19Å; R310-I313 PolarHBondContact O-N 3.15Å; R310-S314 VanDerWaalsContact O-CB 3.31Å; R310-S314 WeakPolarHBondContact O-CB 3.25Å; R310-S314 PolarHBondContact O-N 2.99Å; R310-S314 PolarHBondContact O-OG 3.45Å; R310-I327 HydrophobicContact CG-CG2 4.26Å; R310-E328 IonicContact CZ-OE1 2.76Å; R310-E328 IonicContact CZ-OE2 2.82Å; R310-E328 IonicContact NH1-OE1 3.11Å; R310-E328 PolarHBondContact NH1-OE1 3.45Å; R310-E328 IonicContact NH1-OE2 3.39Å; R310-E328 IonicContact NH2-OE1 2.71Å; R310-E328 PolarHBondContact NH2-OE1 3.22Å; R310-E328 IonicContact NH2-OE2 3.63Å; R310-E328 PolarHBondContact NH2-OE2 3Å; R310-V331 HydrophobicContact CB-CG2 4.2Å
311	D	95.3	Very high	91.7	Very high	73 Å²	73	54.6 Å²	54.6	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-41.2	179.7	-61.2	-35.6	0	0	0	110.5	S307 I309 I313 S314 N315	S307-D311 WeakPolarHBondContact O-CB 3.25Å; S307-D311 PolarHBondContact O-N 2.89Å; S307-D311 PolarHBondContact OG-OD2 3.11Å; I309-D311 VanDerWaalsContact C-N 3.33Å; I309-D311 PolarHBondContact O-N 2.87Å; D311-I313 VanDerWaalsContact C-N 3.34Å; D311-I313 PolarHBondContact O-N 3.22Å; D311-S314 PolarHBondContact O-N 3.31Å; D311-N315 VanDerWaalsContact O-CB 3.31Å; D311-N315 WeakPolarHBondContact O-CB 3.33Å; D311-N315 PolarHBondContact O-N 2.86Å; D311-N315 PolarHBondContact O-ND2 3.32Å
312	A	94.8	Very high	91.4	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-38.2	175.3	0	0	0	0	0	113.2	L308 I309 N316 V357 G378 A380	L308-A312 WeakPolarHBondContact O-CB 3.3Å; L308-A312 PolarHBondContact O-N 3.29Å; I309-A312 PolarHBondContact O-N 3.28Å; A312-N316 WeakPolarHBondContact O-CB 3.43Å; A312-N316 PolarHBondContact O-N 3.46Å; A312-V357 HydrophobicContact CB-CB 4.25Å; A312-V357 HydrophobicContact CB-CG1 3.43Å; A312-V357 VanDerWaalsContact CB-CG1 3.43Å; A312-V357 HydrophobicContact CB-CG2 3.74Å; A312-G378 WeakPolarHBondContact CA-O 3.5Å; A312-G378 WeakPolarHBondContact CB-O 3.46Å; A312-A380 HydrophobicContact CB-CB 4.34Å
313	I	93.1	Very high	90.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-47.6	176.2	-70.5	167.6	0	0	0	110.6	I309 R310 D311 N315 N316 L319 I327 I330	I309-I313 HydrophobicContact CG2-CD1 3.64Å; I309-I313 HydrophobicContact CG2-CG1 4.43Å; I309-I313 WeakPolarHBondContact O-CB 3.36Å; I309-I313 VanDerWaalsContact O-CG1 3.28Å; I309-I313 WeakPolarHBondContact O-CG1 3.36Å; I309-I313 PolarHBondContact O-N 2.66Å; R310-I313 PolarHBondContact O-N 3.15Å; D311-I313 VanDerWaalsContact C-N 3.34Å; D311-I313 PolarHBondContact O-N 3.22Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.1Å; I313-N316 WeakPolarHBondContact O-CB 3.31Å; I313-N316 PolarHBondContact O-N 3.4Å; I313-N316 VanDerWaalsContact O-N 3.14Å; I313-L319 HydrophobicContact CG1-CD1 4.5Å; I313-L319 HydrophobicContact CG2-CB 3.98Å; I313-I327 HydrophobicContact CG2-CD1 4.34Å; I313-I327 HydrophobicContact CG2-CG1 4.05Å; I313-I327 HydrophobicContact CG2-CG2 4.14Å; I313-I330 HydrophobicContact CD1-CB 4.23Å; I313-I330 HydrophobicContact CD1-CG2 3.43Å; I313-I330 VanDerWaalsContact CD1-CG2 3.43Å
314	S	91.2	Very high	90.6	Very high	53 Å²	53	50.2 Å²	50.2	37%	0.371	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-30	-176.3	-54.6	0	0	0	0	112.9	R310 D311 K320	R310-S314 VanDerWaalsContact O-CB 3.31Å; R310-S314 WeakPolarHBondContact O-CB 3.25Å; R310-S314 PolarHBondContact O-N 2.99Å; R310-S314 PolarHBondContact O-OG 3.45Å; D311-S314 PolarHBondContact O-N 3.31Å; S314-K320 VanDerWaalsContact O-CB 3.27Å; S314-K320 WeakPolarHBondContact O-CB 3.27Å
315	N	89	Confident	90.3	Very high	136 Å²	136	46.2 Å²	46.2	73%	0.727	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.2	175.1	-69	-56	0	0	0	113.7	D311 I313	D311-N315 VanDerWaalsContact O-CB 3.31Å; D311-N315 WeakPolarHBondContact O-CB 3.33Å; D311-N315 PolarHBondContact O-N 2.86Å; D311-N315 PolarHBondContact O-ND2 3.32Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.1Å
316	N	88.7	Confident	90.1	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	26%	0.256	C	S	.	.	S	Bend	trans	-75.6	134.3	178.6	179.2	-80	0	0	0	111.1	A312 I313 F318 L319 K320 A380 E383	A312-N316 WeakPolarHBondContact O-CB 3.43Å; A312-N316 PolarHBondContact O-N 3.46Å; I313-N316 WeakPolarHBondContact O-CB 3.31Å; I313-N316 PolarHBondContact O-N 3.4Å; I313-N316 VanDerWaalsContact O-N 3.14Å; N316-F318 PolarHBondContact O-N 3.08Å; N316-F318 VanDerWaalsContact O-N 3.1Å; N316-F318 WeakPolarHBondContact OD1-CA 3.29Å; N316-F318 WeakPolarHBondContact OD1-CB 3.26Å; N316-F318 PolarHBondContact OD1-N 2.94Å; N316-L319 HydrophobicContact CB-CB 4.13Å; N316-L319 HydrophobicContact CB-CD1 4.28Å; N316-L319 HydrophobicContact CB-CG 4.38Å; N316-L319 PolarHBondContact OD1-N 2.84Å; N316-K320 VanDerWaalsContact O-CB 3.32Å; N316-K320 WeakPolarHBondContact O-CB 3.37Å; N316-K320 VanDerWaalsContact O-CG 3.32Å; N316-K320 WeakPolarHBondContact O-CG 3.45Å; N316-K320 PolarHBondContact O-N 3Å; N316-A380 HydrophobicContact CB-CB 4.36Å; N316-E383 PolarHBondContact ND2-OE1 2.99Å
317	T	81.7	Confident	89.9	Confident	79 Å²	79	46.1 Å²	46.1	49%	0.485	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.4	-176	60	0	0	0	0	114.6	H321 N813	T317-H321 PolarHBondContact O-CE1 2.97Å; T317-N813 PolarHBondContact OG1-ND2 3.33Å
318	F	82.2	Confident	89.8	Confident	3 Å²	3	47.5 Å²	47.5	1%	0.013	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-53.4	179.6	172.6	-117.9	0	0	0	112.2	N316 K320 H321 E383 L387 I775 L776 M809 L816	N316-F318 PolarHBondContact O-N 3.08Å; N316-F318 VanDerWaalsContact O-N 3.1Å; N316-F318 WeakPolarHBondContact OD1-CA 3.29Å; N316-F318 WeakPolarHBondContact OD1-CB 3.26Å; N316-F318 PolarHBondContact OD1-N 2.94Å; F318-K320 VanDerWaalsContact C-N 3.28Å; F318-K320 PolarHBondContact O-N 3.05Å; F318-H321 PolarHBondContact O-ND1 2.85Å; F318-E383 HydrophobicContact CD1-CB 4.29Å; F318-E383 HydrophobicContact CD1-CG 4.44Å; F318-L387 HydrophobicContact CE1-CD1 4.41Å; F318-L387 HydrophobicContact CE1-CD2 3.99Å; F318-L387 HydrophobicContact CE1-CG 4.33Å; F318-L387 HydrophobicContact CZ-CD1 4.28Å; F318-L387 HydrophobicContact CZ-CD2 3.67Å; F318-L387 HydrophobicContact CZ-CG 4.35Å; F318-I775 HydrophobicContact CD2-CG2 4.4Å; F318-I775 HydrophobicContact CE2-CG2 3.69Å; F318-I775 HydrophobicContact CZ-CG2 4.41Å; F318-I775 WeakPolarHBondContact CZ-O 3.29Å; F318-L776 HydrophobicContact CE2-CD2 4.27Å; F318-M809 HydrophobicContact CB-CE 3.63Å; F318-M809 HydrophobicContact CB-SD 4.41Å; F318-M809 HydrophobicContact CD2-CE 3.94Å; F318-M809 HydrophobicContact CG-CE 3.8Å; F318-L816 HydrophobicContact CD2-CD1 3.86Å; F318-L816 HydrophobicContact CE2-CD1 4.07Å
319	L	85.9	Confident	89.7	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-72.9	-15.4	-169.7	-56.7	169.1	0	0	0	114.2	I313 N316 H321 L322 L355 L386 F412	I313-L319 HydrophobicContact CG1-CD1 4.5Å; I313-L319 HydrophobicContact CG2-CB 3.98Å; N316-L319 HydrophobicContact CB-CB 4.13Å; N316-L319 HydrophobicContact CB-CD1 4.28Å; N316-L319 HydrophobicContact CB-CG 4.38Å; N316-L319 PolarHBondContact OD1-N 2.84Å; L319-H321 PolarHBondContact O-N 3.09Å; L319-L322 HydrophobicContact CB-CD1 4.36Å; L319-L322 HydrophobicContact CD2-CD1 4.27Å; L319-L322 WeakPolarHBondContact O-CB 3.3Å; L319-L322 VanDerWaalsContact O-CG 3.24Å; L319-L322 WeakPolarHBondContact O-CG 3.45Å; L319-L322 PolarHBondContact O-N 2.86Å; L319-L355 HydrophobicContact CD1-CD1 4.05Å; L319-L355 HydrophobicContact CD1-CD2 3.67Å; L319-L386 HydrophobicContact CD2-CD1 4.31Å; L319-F412 HydrophobicContact CD2-CE2 4.42Å
320	K	87.4	Confident	89.6	Confident	120 Å²	120	49 Å²	49	52%	0.522	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-61.3	-11.4	175.1	69.7	176.7	-172.7	163.1	0	115.5	S314 N316 F318	S314-K320 VanDerWaalsContact O-CB 3.27Å; S314-K320 WeakPolarHBondContact O-CB 3.27Å; N316-K320 VanDerWaalsContact O-CB 3.32Å; N316-K320 WeakPolarHBondContact O-CB 3.37Å; N316-K320 VanDerWaalsContact O-CG 3.32Å; N316-K320 WeakPolarHBondContact O-CG 3.45Å; N316-K320 PolarHBondContact O-N 3Å; F318-K320 VanDerWaalsContact C-N 3.28Å; F318-K320 PolarHBondContact O-N 3.05Å
321	H	84	Confident	89.6	Confident	64 Å²	64	45.2 Å²	45.2	30%	0.296	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-91.8	6.9	-179.2	-51.9	103	0	0	0	113.6	T317 F318 L319 L776	T317-H321 PolarHBondContact O-CE1 2.97Å; F318-H321 PolarHBondContact O-ND1 2.85Å; L319-H321 PolarHBondContact O-N 3.09Å; H321-L776 HydrophobicContact CB-CD2 3.64Å
322	L	85.7	Confident	89.6	Confident	14 Å²	14	43 Å²	43	7%	0.073	24%	0.238	C	C	.	.	S	Bend	trans	-80.3	151.4	177	-63.3	178	0	0	0	111.7	L319 Q326 I327 I330 F412 M416	L319-L322 HydrophobicContact CB-CD1 4.36Å; L319-L322 HydrophobicContact CD2-CD1 4.27Å; L319-L322 WeakPolarHBondContact O-CB 3.3Å; L319-L322 VanDerWaalsContact O-CG 3.24Å; L319-L322 WeakPolarHBondContact O-CG 3.45Å; L319-L322 PolarHBondContact O-N 2.86Å; L322-Q326 HydrophobicContact CB-CB 4.4Å; L322-I327 HydrophobicContact CB-CD1 4.49Å; L322-I327 HydrophobicContact CB-CG1 4.03Å; L322-I330 HydrophobicContact CD1-CD1 3.64Å; L322-F412 HydrophobicContact CD1-CE2 4.14Å; L322-M416 HydrophobicContact CD1-CE 4.27Å; L322-M416 HydrophobicContact CD2-CE 3.83Å; L322-M416 HydrophobicContact CD2-SD 3.57Å; L322-M416 VanDerWaalsContact CD2-SD 3.57Å
323	E	84	Confident	89.6	Confident	56 Å²	56	43.1 Å²	43.1	26%	0.262	24%	0.238	S	C	.	.			trans	-69.1	147	174.4	-62.2	-173.1	-178.3	0	0	110.3	S325 Q326 I327 K423	E323-S325 VanDerWaalsContact C-N 3.25Å; E323-S325 PolarHBondContact O-N 3.05Å; E323-S325 VanDerWaalsContact O-N 3.15Å; E323-Q326 HydrophobicContact CB-CG 4.14Å; E323-Q326 WeakPolarHBondContact O-CA 3.47Å; E323-Q326 VanDerWaalsContact O-CB 3.31Å; E323-Q326 WeakPolarHBondContact O-CB 3.49Å; E323-Q326 PolarHBondContact O-N 3.29Å; E323-I327 PolarHBondContact O-N 3.13Å; E323-I327 VanDerWaalsContact O-N 3.15Å; E323-K423 IonicContact OE1-NZ 3.86Å; E323-K423 PolarHBondContact OE1-NZ 2.97Å; E323-K423 IonicContact OE2-NZ 3.64Å; E323-K423 PolarHBondContact OE2-NZ 3.27Å
324	P	88.3	Confident	89.8	Confident	100 Å²	100	43 Å²	43	65%	0.649	24%	0.237	S	C	*	.	H	α-helix	trans	-53.3	-39.7	-178.1	-29.2	35.8	0	0	0	114	Q326 I327 E328	P324-Q326 VanDerWaalsContact C-N 3.29Å; P324-Q326 PolarHBondContact O-N 3.36Å; P324-I327 WeakPolarHBondContact O-CB 3.49Å; P324-I327 PolarHBondContact O-N 3.07Å; P324-I327 VanDerWaalsContact O-N 3.11Å; P324-E328 WeakPolarHBondContact O-CG 3.24Å; P324-E328 PolarHBondContact O-N 3Å
325	S	87.6	Confident	90.1	Very high	63 Å²	63	44 Å²	44	44%	0.441	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-35.1	175	51.8	0	0	0	0	113.4	E323 E329	E323-S325 VanDerWaalsContact C-N 3.25Å; E323-S325 PolarHBondContact O-N 3.05Å; E323-S325 VanDerWaalsContact O-N 3.15Å; S325-E329 PolarHBondContact O-N 3.47Å; S325-E329 VanDerWaalsContact O-N 3.14Å
326	Q	90.9	Very high	90.5	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-72	-34.8	175.6	-60.4	177.8	-48	0	0	111.4	L322 E323 P324 E329 I330 I415 M416 T419	L322-Q326 HydrophobicContact CB-CB 4.4Å; E323-Q326 HydrophobicContact CB-CG 4.14Å; E323-Q326 WeakPolarHBondContact O-CA 3.47Å; E323-Q326 VanDerWaalsContact O-CB 3.31Å; E323-Q326 WeakPolarHBondContact O-CB 3.49Å; E323-Q326 PolarHBondContact O-N 3.29Å; P324-Q326 VanDerWaalsContact C-N 3.29Å; P324-Q326 PolarHBondContact O-N 3.36Å; Q326-E329 PolarHBondContact O-N 3.17Å; Q326-I330 WeakPolarHBondContact O-CD1 3.24Å; Q326-I330 VanDerWaalsContact O-CG1 3.24Å; Q326-I330 WeakPolarHBondContact O-CG1 3.46Å; Q326-I330 PolarHBondContact O-N 2.96Å; Q326-I415 HydrophobicContact CB-CG2 4.45Å; Q326-M416 HydrophobicContact CB-CE 3.78Å; Q326-M416 HydrophobicContact CG-CE 4.05Å; Q326-T419 HydrophobicContact CG-CG2 4Å
327	I	93.1	Very high	90.8	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-44.5	175.4	-60.7	173.4	0	0	0	109.9	R310 I313 L322 E323 P324 E329 I330 V331	R310-I327 HydrophobicContact CG-CG2 4.26Å; I313-I327 HydrophobicContact CG2-CD1 4.34Å; I313-I327 HydrophobicContact CG2-CG1 4.05Å; I313-I327 HydrophobicContact CG2-CG2 4.14Å; L322-I327 HydrophobicContact CB-CD1 4.49Å; L322-I327 HydrophobicContact CB-CG1 4.03Å; E323-I327 PolarHBondContact O-N 3.13Å; E323-I327 VanDerWaalsContact O-N 3.15Å; P324-I327 WeakPolarHBondContact O-CB 3.49Å; P324-I327 PolarHBondContact O-N 3.07Å; P324-I327 VanDerWaalsContact O-N 3.11Å; I327-E329 PolarHBondContact O-N 3.28Å; I327-I330 PolarHBondContact O-N 3.05Å; I327-V331 HydrophobicContact CG2-CG2 4.41Å; I327-V331 VanDerWaalsContact O-CG2 3.24Å; I327-V331 WeakPolarHBondContact O-CG2 3.28Å; I327-V331 PolarHBondContact O-N 3.05Å
328	E	93.8	Very high	91.5	Very high	82 Å²	82	48 Å²	48	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-47	173.9	-61.1	-53	156.8	0	0	112.1	R310 P324 I330 V331 A332	R310-E328 IonicContact CZ-OE1 2.76Å; R310-E328 IonicContact CZ-OE2 2.82Å; R310-E328 IonicContact NH1-OE1 3.11Å; R310-E328 PolarHBondContact NH1-OE1 3.45Å; R310-E328 IonicContact NH1-OE2 3.39Å; R310-E328 IonicContact NH2-OE1 2.71Å; R310-E328 PolarHBondContact NH2-OE1 3.22Å; R310-E328 IonicContact NH2-OE2 3.63Å; R310-E328 PolarHBondContact NH2-OE2 3Å; P324-E328 WeakPolarHBondContact O-CG 3.24Å; P324-E328 PolarHBondContact O-N 3Å; E328-I330 VanDerWaalsContact C-N 3.32Å; E328-I330 PolarHBondContact O-N 3.27Å; E328-V331 CarbonylContact O-C 3.53Å; E328-V331 WeakPolarHBondContact O-CB 3.47Å; E328-V331 PolarHBondContact O-N 3.49Å; E328-V331 VanDerWaalsContact O-N 3.16Å; E328-A332 WeakPolarHBondContact O-CB 3.49Å; E328-A332 PolarHBondContact O-N 3.45Å
329	E	93.4	Very high	92.1	Very high	54 Å²	54	48.3 Å²	48.3	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-36.5	-178.8	-163.5	67.6	-150.4	0	0	111.7	L296 H298 S325 Q326 I327 A332 C333 I415	L296-E329 HydrophobicContact CD1-CG 3.77Å; L296-E329 WeakPolarHBondContact CD1-OE1 3.31Å; H298-E329 IonicContact CD2-OE1 3.74Å; H298-E329 IonicContact CE1-OE1 3.63Å; H298-E329 IonicContact NE2-OE1 2.73Å; H298-E329 PolarHBondContact NE2-OE1 3.15Å; H298-E329 IonicContact NE2-OE2 4Å; S325-E329 PolarHBondContact O-N 3.47Å; S325-E329 VanDerWaalsContact O-N 3.14Å; Q326-E329 PolarHBondContact O-N 3.17Å; I327-E329 PolarHBondContact O-N 3.28Å; E329-A332 PolarHBondContact O-N 3.5Å; E329-C333 WeakPolarHBondContact O-CB 3.37Å; E329-C333 PolarHBondContact O-N 2.72Å; E329-C333 PolarHBondContact O-SG 3.31Å; E329-I415 HydrophobicContact CB-CD1 4.4Å; E329-I415 HydrophobicContact CB-CG1 4.39Å; E329-I415 HydrophobicContact CB-CG2 3.8Å; E329-I415 HydrophobicContact CG-CB 4.37Å; E329-I415 HydrophobicContact CG-CD1 4.05Å; E329-I415 HydrophobicContact CG-CG1 3.72Å; E329-I415 HydrophobicContact CG-CG2 3.86Å
330	I	94.4	Very high	92.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-47.3	171.3	-71.1	165.6	0	0	0	110.7	I313 L322 Q326 I327 E328 A332 C333 M334 L407 F412 I415 M416	I313-I330 HydrophobicContact CD1-CB 4.23Å; I313-I330 HydrophobicContact CD1-CG2 3.43Å; I313-I330 VanDerWaalsContact CD1-CG2 3.43Å; L322-I330 HydrophobicContact CD1-CD1 3.64Å; Q326-I330 WeakPolarHBondContact O-CD1 3.24Å; Q326-I330 VanDerWaalsContact O-CG1 3.24Å; Q326-I330 WeakPolarHBondContact O-CG1 3.46Å; Q326-I330 PolarHBondContact O-N 2.96Å; I327-I330 PolarHBondContact O-N 3.05Å; E328-I330 VanDerWaalsContact C-N 3.32Å; E328-I330 PolarHBondContact O-N 3.27Å; I330-A332 VanDerWaalsContact C-N 3.27Å; I330-A332 PolarHBondContact O-N 3.12Å; I330-C333 PolarHBondContact O-N 3.02Å; I330-M334 HydrophobicContact CG2-CG 4.28Å; I330-M334 HydrophobicContact CG2-SD 4.3Å; I330-M334 WeakPolarHBondContact O-CG 3.32Å; I330-M334 PolarHBondContact O-N 3.33Å; I330-L407 HydrophobicContact CB-CD2 4.48Å; I330-L407 HydrophobicContact CG1-CD2 4.02Å; I330-L407 HydrophobicContact CG2-CD1 4.41Å; I330-L407 HydrophobicContact CG2-CD2 3.84Å; I330-F412 HydrophobicContact CD1-CD2 3.97Å; I330-F412 HydrophobicContact CD1-CE2 3.94Å; I330-F412 HydrophobicContact CG1-CD2 4.47Å; I330-I415 HydrophobicContact CB-CD1 4.5Å; I330-I415 HydrophobicContact CG1-CD1 3.79Å; I330-I415 HydrophobicContact CG1-CG2 4.5Å; I330-M416 HydrophobicContact CD1-CE 4.22Å
331	V	96.3	Very high	93	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-42.1	176.8	172.5	0	0	0	0	110.2	K301 I309 R310 I327 E328	K301-V331 WeakPolarHBondContact CD-O 3.29Å; K301-V331 WeakPolarHBondContact CE-O 3.4Å; K301-V331 PolarHBondContact NZ-O 3.41Å; I309-V331 HydrophobicContact CB-CG2 4.14Å; I309-V331 HydrophobicContact CG2-CB 4.38Å; I309-V331 HydrophobicContact CG2-CG2 3.69Å; R310-V331 HydrophobicContact CB-CG2 4.2Å; I327-V331 HydrophobicContact CG2-CG2 4.41Å; I327-V331 VanDerWaalsContact O-CG2 3.24Å; I327-V331 WeakPolarHBondContact O-CG2 3.28Å; I327-V331 PolarHBondContact O-N 3.05Å; E328-V331 CarbonylContact O-C 3.53Å; E328-V331 WeakPolarHBondContact O-CB 3.47Å; E328-V331 PolarHBondContact O-N 3.49Å; E328-V331 VanDerWaalsContact O-N 3.16Å
332	A	95.6	Very high	93.5	Very high	28 Å²	28	50 Å²	50	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-44.3	176.3	0	0	0	0	0	112.5	H299 K301 E328 E329 I330	H299-A332 PolarHBondContact N-O 3.38Å; K301-A332 PolarHBondContact NZ-O 3.37Å; E328-A332 WeakPolarHBondContact O-CB 3.49Å; E328-A332 PolarHBondContact O-N 3.45Å; E329-A332 PolarHBondContact O-N 3.5Å; I330-A332 VanDerWaalsContact C-N 3.27Å; I330-A332 PolarHBondContact O-N 3.12Å
333	C	96.2	Very high	94	Very high	5 Å²	5	52 Å²	52	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-81.6	-13.4	-174.9	-64.6	0	0	0	0	115.7	H299 E329 I330 L407 V411 I415	H299-C333 PolarHBondContact CD2-O 2.63Å; E329-C333 WeakPolarHBondContact O-CB 3.37Å; E329-C333 PolarHBondContact O-N 2.72Å; E329-C333 PolarHBondContact O-SG 3.31Å; I330-C333 PolarHBondContact O-N 3.02Å; C333-L407 HydrophobicContact CB-CD1 4Å; C333-V411 HydrophobicContact CB-CG1 3.63Å; C333-I415 HydrophobicContact CB-CD1 4.15Å
334	M	97	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.			trans	-68	139	177.7	-82.6	-171.6	114.7	0	0	112.6	K301 I309 I330 V357 W405 T406 L407	K301-M334 WeakPolarHBondContact CE-O 3.41Å; K301-M334 PolarHBondContact NZ-O 2.9Å; I309-M334 HydrophobicContact CB-SD 4.44Å; I309-M334 HydrophobicContact CD1-CB 4.27Å; I309-M334 HydrophobicContact CD1-SD 4.33Å; I309-M334 HydrophobicContact CG1-SD 4.19Å; I309-M334 HydrophobicContact CG2-SD 3.37Å; I309-M334 WeakPolarHBondContact CG2-SD 3.47Å; I330-M334 HydrophobicContact CG2-CG 4.28Å; I330-M334 HydrophobicContact CG2-SD 4.3Å; I330-M334 WeakPolarHBondContact O-CG 3.32Å; I330-M334 PolarHBondContact O-N 3.33Å; M334-V357 HydrophobicContact CE-CB 4.38Å; M334-V357 HydrophobicContact CE-CG2 4Å; M334-V357 HydrophobicContact SD-CG2 4.49Å; M334-W405 HydrophobicContact CB-CB 4.3Å; M334-W405 HydrophobicContact CB-CE3 4.34Å; M334-W405 HydrophobicContact CE-CB 3.96Å; M334-W405 WeakPolarHBondContact CE-O 3.24Å; M334-W405 HydrophobicContact SD-CB 4Å; M334-T406 VanDerWaalsContact CA-O 3.31Å; M334-T406 WeakPolarHBondContact CA-O 3.14Å; M334-L407 HydrophobicContact CE-CB 4.01Å; M334-L407 HydrophobicContact CG-CB 3.84Å; M334-L407 HydrophobicContact CG-CD1 4.12Å
335	Y	96.7	Very high	94.7	Very high	72 Å²	72	48.8 Å²	48.8	28%	0.282	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.4	175.7	67	-90.4	0	0	0	112.1	W405 T406 D408	Y335-W405 VanDerWaalsContact C-CE3 3.41Å; Y335-W405 CarbonylContact O-C 3.58Å; Y335-W405 WeakPolarHBondContact O-CA 3.26Å; Y335-T406 WeakPolarHBondContact CD1-O 3.43Å; Y335-T406 HydrophobicContact CE1-CG2 3.95Å; Y335-T406 HydrophobicContact CE2-CG2 4.22Å; Y335-T406 PolarHBondContact N-O 2.78Å; Y335-T406 PolarHBondContact O-N 3.24Å; Y335-T406 WeakPolarHBondContact OH-CG2 3.25Å; Y335-D408 PolarHBondContact OH-OD1 3.23Å
336	K	96.7	Very high	95	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.1	-177.3	-161.9	166.1	-174.5	168.5	0	111	S403 W405	K336-S403 WeakPolarHBondContact CE-OG 3.38Å; K336-W405 HydrophobicContact CB-CD2 4.34Å; K336-W405 HydrophobicContact CB-CE3 3.92Å; K336-W405 HydrophobicContact CB-CH2 3.84Å; K336-W405 HydrophobicContact CB-CZ2 4.29Å; K336-W405 HydrophobicContact CB-CZ3 3.65Å; K336-W405 HydrophobicContact CD-CH2 4.23Å; K336-W405 HydrophobicContact CD-CZ2 3.99Å; K336-W405 HydrophobicContact CG-CH2 4.44Å; K336-W405 HydrophobicContact CG-CZ2 4.41Å
337	K	95.3	Very high	95	Very high	75 Å²	75	51.3 Å²	51.3	33%	0.326	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.9	177.1	-170.4	174.2	-175.3	172.7	0	109.4	Y356 S403 A404 T406	K337-Y356 HydrophobicContact CD-CE1 4.08Å; K337-Y356 PolarHBondContact NZ-OH 3.12Å; K337-S403 WeakPolarHBondContact O-CA 3.22Å; K337-A404 PolarHBondContact N-O 2.75Å; K337-A404 PolarHBondContact O-N 3.27Å; K337-T406 WeakPolarHBondContact CB-OG1 3.46Å
338	Q	96.6	Very high	94.9	Very high	139 Å²	139	53.6 Å²	53.6	65%	0.65	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.6	172.8	-65.5	-69.6	14.9	0	0	110	S403	Q338-S403 VanDerWaalsContact OE1-CB 3.24Å
339	I	95.4	Very high	94.5	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	105.9	-173.8	-49.5	159.7	0	0	0	107.8	C343 I345 A398 A402 A404	I339-C343 HydrophobicContact CG2-CB 4.24Å; I339-I345 HydrophobicContact CD1-CB 4.3Å; I339-I345 HydrophobicContact CD1-CD1 3.58Å; I339-I345 HydrophobicContact CD1-CG1 4.16Å; I339-I345 HydrophobicContact CG1-CD1 4.43Å; I339-A398 HydrophobicContact CB-CB 4.47Å; I339-A398 HydrophobicContact CG2-CB 3.7Å; I339-A402 WeakPolarHBondContact CA-O 3.31Å; I339-A402 HydrophobicContact CB-CB 4.37Å; I339-A402 PolarHBondContact N-O 3.05Å; I339-A402 PolarHBondContact O-N 3.36Å; I339-A404 HydrophobicContact CD1-CB 3.93Å
340	P	96.8	Very high	94.3	Very high	74 Å²	74	53.1 Å²	53.1	48%	0.481	27%	0.272	S	S	.	.			trans	-64.1	152	178.3	-21.5	33	0	0	0	112.6	G342 C343	P340-G342 PolarHBondContact O-N 2.89Å; P340-C343 VanDerWaalsContact O-CB 3.28Å; P340-C343 WeakPolarHBondContact O-CB 3.39Å; P340-C343 PolarHBondContact O-N 2.83Å; P340-C343 VanDerWaalsContact O-N 3.07Å
341	H	96	Very high	93.6	Very high	122 Å²	122	57.5 Å²	57.5	57%	0.565	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	130.2	172.9	166.7	-75.1	0	0	0	112.2	C343 V399 T400 N401	H341-C343 PolarHBondContact O-N 2.79Å; H341-V399 PolarHBondContact CD2-O 3.5Å; H341-T400 WeakPolarHBondContact CA-O 3.47Å; H341-N401 PolarHBondContact N-OD1 3.05Å
342	G	94.2	Very high	92.9	Very high	26 Å²	26	57.2 Å²	57.2	27%	0.268	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-10.6	177.8	0	0	0	0	0	114.8	P340 A398	P340-G342 PolarHBondContact O-N 2.89Å; G342-A398 WeakPolarHBondContact CA-O 3.19Å; G342-A398 PolarHBondContact N-O 3.29Å
343	C	96	Very high	92.5	Very high	55 Å²	55	60 Å²	60	37%	0.372	31%	0.31	S	S	.	.			trans	-71.2	148.3	174.5	-68.2	0	0	0	0	111.7	I339 P340 H341 R397 A398	I339-C343 HydrophobicContact CG2-CB 4.24Å; P340-C343 VanDerWaalsContact O-CB 3.28Å; P340-C343 WeakPolarHBondContact O-CB 3.39Å; P340-C343 PolarHBondContact O-N 2.83Å; P340-C343 VanDerWaalsContact O-N 3.07Å; H341-C343 PolarHBondContact O-N 2.79Å; C343-R397 WeakPolarHBondContact O-CA 3.42Å; C343-A398 PolarHBondContact O-N 3.31Å
344	F	93.1	Very high	92.3	Very high	71 Å²	71	59.7 Å²	59.7	31%	0.311	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.5	170	-72.2	-103.2	0	0	0	108.9	R347 V396 R397	F344-R347 HydrophobicContact CB-CG 3.9Å; F344-R347 HydrophobicContact CD1-CG 4.22Å; F344-R347 HydrophobicContact CG-CG 4.17Å; F344-V396 CarbonylContact C-O 3.55Å; F344-V396 VanDerWaalsContact CA-O 3.29Å; F344-V396 WeakPolarHBondContact CA-O 3.46Å; F344-R397 HydrophobicContact CD1-CB 4Å; F344-R397 HydrophobicContact CD1-CG 4.46Å; F344-R397 HydrophobicContact CD2-CG 4.17Å; F344-R397 HydrophobicContact CE1-CB 3.96Å; F344-R397 HydrophobicContact CE1-CG 4.36Å; F344-R397 HydrophobicContact CE2-CG 4.06Å; F344-R397 HydrophobicContact CG-CB 4.34Å; F344-R397 HydrophobicContact CG-CG 4.39Å; F344-R397 HydrophobicContact CZ-CB 4.25Å; F344-R397 HydrophobicContact CZ-CG 4.17Å
345	I	93.7	Very high	92.1	Very high	18 Å²	18	59.7 Å²	59.7	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-28.3	169.1	-167.7	-175.8	0	0	0	111	I339 Y356 F381 V396 A404	I339-I345 HydrophobicContact CD1-CB 4.3Å; I339-I345 HydrophobicContact CD1-CD1 3.58Å; I339-I345 HydrophobicContact CD1-CG1 4.16Å; I339-I345 HydrophobicContact CG1-CD1 4.43Å; I345-Y356 HydrophobicContact CD1-CD1 3.34Å; I345-Y356 HydrophobicContact CD1-CD2 3.96Å; I345-Y356 HydrophobicContact CD1-CE1 3.49Å; I345-Y356 VanDerWaalsContact CD1-CE1 3.49Å; I345-Y356 HydrophobicContact CD1-CE2 4.1Å; I345-Y356 HydrophobicContact CD1-CG 3.57Å; I345-Y356 HydrophobicContact CG1-CD1 4.22Å; I345-Y356 HydrophobicContact CG1-CD2 4.48Å; I345-Y356 HydrophobicContact CG1-CE1 3.87Å; I345-Y356 HydrophobicContact CG1-CE2 4.15Å; I345-Y356 HydrophobicContact CG1-CG 4.49Å; I345-F381 HydrophobicContact CD1-CE2 4.23Å; I345-F381 HydrophobicContact CD1-CZ 3.79Å; I345-F381 HydrophobicContact CG2-CE2 3.88Å; I345-F381 HydrophobicContact CG2-CZ 4.03Å; I345-V396 HydrophobicContact CG2-CB 3.6Å; I345-V396 HydrophobicContact CG2-CG1 3.53Å; I345-V396 PolarHBondContact N-O 2.9Å; I345-A404 HydrophobicContact CD1-CB 4.16Å
346	I	93	Very high	92	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.9	177.4	-70.8	175.1	0	0	0	107.1	Y356 F381 R392 A394 S395 V396	I346-Y356 HydrophobicContact CD1-CD2 4.04Å; I346-Y356 HydrophobicContact CD1-CE2 4.03Å; I346-Y356 HydrophobicContact CG1-CD2 4.44Å; I346-Y356 HydrophobicContact CG1-CE2 4Å; I346-F381 HydrophobicContact CD1-CD2 3.82Å; I346-F381 HydrophobicContact CD1-CE2 3.78Å; I346-R392 HydrophobicContact CG2-CB 3.61Å; I346-R392 HydrophobicContact CG2-CG 3.61Å; I346-A394 WeakPolarHBondContact CG2-O 3.47Å; I346-S395 CarbonylContact O-C 3.57Å; I346-S395 WeakPolarHBondContact O-CA 3.33Å; I346-V396 HydrophobicContact CB-CB 4.14Å; I346-V396 HydrophobicContact CB-CG2 4.2Å; I346-V396 HydrophobicContact CD1-CG2 4.32Å; I346-V396 PolarHBondContact N-O 2.78Å; I346-V396 PolarHBondContact O-N 3.43Å
347	R	92.2	Very high	92	Very high	115 Å²	115	51.9 Å²	51.9	43%	0.434	28%	0.275	S	S	.	.			trans	-112.6	144.5	162.3	-49.7	179.5	169.8	-80.5	0.9	110.8	F344 E350 R392	F344-R347 HydrophobicContact CB-CG 3.9Å; F344-R347 HydrophobicContact CD1-CG 4.22Å; F344-R347 HydrophobicContact CG-CG 4.17Å; R347-E350 HydrophobicContact CB-CG 3.97Å; R347-E350 VanDerWaalsContact CB-OE2 3.32Å; R347-E350 WeakPolarHBondContact CB-OE2 3.34Å; R347-E350 WeakPolarHBondContact CD-OE1 3.35Å; R347-E350 PolarHBondContact N-OE2 2.79Å; R347-E350 VanDerWaalsContact N-OE2 3.16Å; R347-E350 WeakPolarHBondContact O-CB 3.47Å; R347-E350 PolarHBondContact O-N 2.77Å; R347-R392 VanDerWaalsContact O-CB 3.29Å; R347-R392 WeakPolarHBondContact O-CB 3.49Å
348	E	91	Very high	92	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.304	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	138.5	173.5	-174.3	166.7	-166	0	0	111	E350 K367 D368 S395	E348-E350 VanDerWaalsContact C-N 3.27Å; E348-E350 PolarHBondContact O-N 3.37Å; E348-K367 VanDerWaalsContact OE1-CG 3.32Å; E348-K367 WeakPolarHBondContact OE1-CG 3.41Å; E348-K367 WeakPolarHBondContact OE2-CA 3.45Å; E348-D368 PolarHBondContact OE2-N 3.28Å; E348-S395 WeakPolarHBondContact CB-OG 3.29Å; E348-S395 PolarHBondContact N-OG 3.41Å
349	G	85.8	Confident	92	Very high	36 Å²	36	41.9 Å²	41.9	37%	0.371	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-15.8	-179	0	0	0	0	0	115.9	K391 R392	G349-K391 WeakPolarHBondContact O-CD 3.48Å; G349-K391 WeakPolarHBondContact O-CG 3.45Å; G349-R392 PolarHBondContact N-O 2.9Å
350	E	87.5	Confident	92	Very high	90 Å²	90	45.8 Å²	45.8	42%	0.421	25%	0.251	S	S	.	.	S	Bend	trans	-69.2	152	174	-71.1	-179	153.8	0	0	111.6	R347 E348 G352 K391 R392	R347-E350 HydrophobicContact CB-CG 3.97Å; R347-E350 VanDerWaalsContact CB-OE2 3.32Å; R347-E350 WeakPolarHBondContact CB-OE2 3.34Å; R347-E350 WeakPolarHBondContact CD-OE1 3.35Å; R347-E350 PolarHBondContact N-OE2 2.79Å; R347-E350 VanDerWaalsContact N-OE2 3.16Å; R347-E350 WeakPolarHBondContact O-CB 3.47Å; R347-E350 PolarHBondContact O-N 2.77Å; E348-E350 VanDerWaalsContact C-N 3.27Å; E348-E350 PolarHBondContact O-N 3.37Å; E350-G352 PolarHBondContact O-N 2.82Å; E350-K391 CarbonylContact O-C 3.6Å; E350-K391 VanDerWaalsContact O-CA 3.3Å; E350-K391 WeakPolarHBondContact O-CA 3.4Å; E350-R392 WeakPolarHBondContact O-CG 3.36Å; E350-R392 PolarHBondContact O-N 3.38Å
351	P	81.4	Confident	91.8	Very high	93 Å²	93	43 Å²	43	60%	0.604	24%	0.236	S	C	*	.	B	Isolated β-bridge	trans	-60.4	129.6	169.4	-18.1	31.5	0	0	0	110.3
352	G	81.2	Confident	91.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.01	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-78	149.5	167.7	0	0	0	0	0	111.7	E350 C390 R392 R409	E350-G352 PolarHBondContact O-N 2.82Å; G352-C390 PolarHBondContact N-O 3.09Å; G352-R392 VanDerWaalsContact CA-NE 3.3Å; G352-R409 PolarHBondContact O-NH2 2.92Å
353	D	86.9	Confident	91.8	Very high	86 Å²	86	38.6 Å²	38.6	46%	0.46	21%	0.212	S	C	.	.			trans	-147.1	-24	-176.1	57.8	-10.8	0	0	0	114.2	R392 R409	D353-R392 IonicContact OD1-NH2 3.62Å; D353-R392 PolarHBondContact OD1-NH2 3.28Å; D353-R409 WeakPolarHBondContact O-CA 3.31Å; D353-R409 WeakPolarHBondContact O-CB 3.31Å; D353-R409 PolarHBondContact O-N 2.85Å
354	A	91.3	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.2	-176.9	0	0	0	0	0	114.7	Y356 R392 T406 L407	A354-Y356 HydrophobicContact CB-CE2 4.29Å; A354-R392 PolarHBondContact O-NH1 2.92Å; A354-R392 PolarHBondContact O-NH2 3.27Å; A354-T406 HydrophobicContact CB-CG2 3.83Å; A354-L407 CarbonylContact C-O 3.54Å; A354-L407 VanDerWaalsContact CA-O 3.25Å; A354-L407 WeakPolarHBondContact CA-O 3.43Å; A354-L407 WeakPolarHBondContact CB-O 3.48Å
355	L	93.7	Very high	91.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.7	165.3	168.3	72.7	0	0	0	109.9	L319 A380 E383 L386 T406 L407	L319-L355 HydrophobicContact CD1-CD1 4.05Å; L319-L355 HydrophobicContact CD1-CD2 3.67Å; L355-A380 HydrophobicContact CD1-CB 4.49Å; L355-E383 HydrophobicContact CD1-CB 4.05Å; L355-L386 HydrophobicContact CB-CD1 3.68Å; L355-L386 HydrophobicContact CB-CD2 3.82Å; L355-L386 HydrophobicContact CB-CG 3.84Å; L355-L386 HydrophobicContact CD2-CD1 3.82Å; L355-L386 HydrophobicContact CG-CD1 4.23Å; L355-T406 WeakPolarHBondContact O-CA 3.47Å; L355-L407 HydrophobicContact CB-CB 4.4Å; L355-L407 PolarHBondContact N-O 2.68Å; L355-L407 PolarHBondContact O-N 3.02Å
356	Y	95.1	Very high	91.9	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.6	178.1	-60.1	-77.5	0	0	0	112.2	K337 I345 I346 A354 A380 F381 A404 W405 T406	K337-Y356 HydrophobicContact CD-CE1 4.08Å; K337-Y356 PolarHBondContact NZ-OH 3.12Å; I345-Y356 HydrophobicContact CD1-CD1 3.34Å; I345-Y356 HydrophobicContact CD1-CD2 3.96Å; I345-Y356 HydrophobicContact CD1-CE1 3.49Å; I345-Y356 VanDerWaalsContact CD1-CE1 3.49Å; I345-Y356 HydrophobicContact CD1-CE2 4.1Å; I345-Y356 HydrophobicContact CD1-CG 3.57Å; I345-Y356 HydrophobicContact CG1-CD1 4.22Å; I345-Y356 HydrophobicContact CG1-CD2 4.48Å; I345-Y356 HydrophobicContact CG1-CE1 3.87Å; I345-Y356 HydrophobicContact CG1-CE2 4.15Å; I345-Y356 HydrophobicContact CG1-CG 4.49Å; I346-Y356 HydrophobicContact CD1-CD2 4.04Å; I346-Y356 HydrophobicContact CD1-CE2 4.03Å; I346-Y356 HydrophobicContact CG1-CD2 4.44Å; I346-Y356 HydrophobicContact CG1-CE2 4Å; A354-Y356 HydrophobicContact CB-CE2 4.29Å; Y356-A380 CarbonylContact O-C 3.48Å; Y356-A380 VanDerWaalsContact O-CA 3.3Å; Y356-A380 WeakPolarHBondContact O-CA 3.32Å; Y356-F381 VanDerWaalsContact CB-CE1 3.47Å; Y356-F381 HydrophobicContact CD2-CD2 4.32Å; Y356-F381 AromaticContact CD2-CE2 3.82Å; Y356-F381 HydrophobicContact CD2-CE2 3.82Å; Y356-F381 HydrophobicContact CD2-CZ 4.21Å; Y356-F381 HydrophobicContact CG-CE2 4.05Å; Y356-F381 AromaticContact CG-CZ 3.96Å; Y356-F381 HydrophobicContact CG-CZ 3.96Å; Y356-F381 PolarHBondContact N-O 3.08Å; Y356-F381 PolarHBondContact O-N 2.83Å; Y356-A404 HydrophobicContact CD1-CB 4.38Å; Y356-W405 CarbonylContact C-O 3.55Å; Y356-W405 VanDerWaalsContact CA-O 3.25Å; Y356-W405 WeakPolarHBondContact CA-O 3.25Å; Y356-T406 HydrophobicContact CD1-CG2 3.82Å; Y356-T406 WeakPolarHBondContact CD1-OG1 3.21Å; Y356-T406 HydrophobicContact CE1-CG2 3.4Å; Y356-T406 VanDerWaalsContact CE1-CG2 3.4Å; Y356-T406 WeakPolarHBondContact CE1-OG1 3.41Å
357	V	96.1	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.4	166.9	171.9	0	0	0	0	108.4	A312 M334 S359 R379 A380 A404 W405	A312-V357 HydrophobicContact CB-CB 4.25Å; A312-V357 HydrophobicContact CB-CG1 3.43Å; A312-V357 VanDerWaalsContact CB-CG1 3.43Å; A312-V357 HydrophobicContact CB-CG2 3.74Å; M334-V357 HydrophobicContact CE-CB 4.38Å; M334-V357 HydrophobicContact CE-CG2 4Å; M334-V357 HydrophobicContact SD-CG2 4.49Å; V357-S359 PolarHBondContact O-N 2.82Å; V357-R379 WeakPolarHBondContact CA-O 3.28Å; V357-A380 HydrophobicContact CG2-CB 4.01Å; V357-A404 CarbonylContact O-C 3.52Å; V357-A404 WeakPolarHBondContact O-CA 3.38Å; V357-A404 WeakPolarHBondContact O-CB 3.38Å; V357-W405 HydrophobicContact CB-CB 4.35Å; V357-W405 PolarHBondContact N-O 3.19Å; V357-W405 PolarHBondContact O-N 3.4Å
358	V	95.6	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.4	178.7	-172.8	0	0	0	0	109.7	L363 M375 E376 V377 G378 R379 F381	V358-L363 HydrophobicContact CG2-CD1 3.77Å; V358-L363 HydrophobicContact CG2-CG 4.4Å; V358-M375 HydrophobicContact CG2-CB 4.4Å; V358-E376 WeakPolarHBondContact CB-O 3.42Å; V358-V377 HydrophobicContact CG1-CG2 4.24Å; V358-G378 PolarHBondContact O-N 3.03Å; V358-R379 PolarHBondContact N-O 2.73Å; V358-F381 HydrophobicContact CG2-CD1 4.07Å; V358-F381 HydrophobicContact CG2-CE1 3.61Å
359	S	95.5	Very high	91.6	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-17.9	177.3	50	0	0	0	0	115.1	V357 S403	V357-S359 PolarHBondContact O-N 2.82Å; S359-S403 PolarHBondContact N-O 3.19Å; S359-S403 PolarHBondContact OG-O 3.26Å; S359-S403 PolarHBondContact OG-OG 2.92Å; S359-S403 VanDerWaalsContact OG-OG 3.05Å
360	D	95.3	Very high	91.9	Very high	93 Å²	93	46.7 Å²	46.7	50%	0.497	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	156.8	168.1	-177.2	39.9	0	0	0	110.9	A402 S403	D360-A402 CarbonylContact O-C 3.52Å; D360-A402 VanDerWaalsContact O-CA 3.24Å; D360-A402 WeakPolarHBondContact O-CA 3.3Å; D360-A402 VanDerWaalsContact O-CB 3.31Å; D360-A402 WeakPolarHBondContact O-CB 3.36Å; D360-S403 WeakPolarHBondContact CB-OG 3.41Å; D360-S403 PolarHBondContact N-O 3.44Å; D360-S403 VanDerWaalsContact N-O 3.15Å; D360-S403 PolarHBondContact N-OG 3.2Å; D360-S403 PolarHBondContact O-N 2.86Å
361	G	93.7	Very high	92.2	Very high	15 Å²	15	46.5 Å²	46.5	16%	0.155	26%	0.255	C	S	.	.	S	Bend	trans	77.3	-178.5	176.2	0	0	0	0	0	115.3	T400	G361-T400 WeakPolarHBondContact CA-OG1 3.37Å
362	V	93.4	Very high	92.7	Very high	54 Å²	54	47.3 Å²	47.3	33%	0.327	25%	0.254	S	S	.	.			trans	-112.9	128.2	-176.4	-177.9	0	0	0	0	110.2	R374 V399 T400	V362-R374 HydrophobicContact CG1-CG 4.29Å; V362-V399 HydrophobicContact CB-CB 4.42Å; V362-V399 HydrophobicContact CG1-CB 4.42Å; V362-V399 HydrophobicContact CG1-CG2 4.32Å; V362-V399 PolarHBondContact O-N 2.71Å; V362-T400 HydrophobicContact CB-CG2 4.35Å; V362-T400 HydrophobicContact CG2-CG2 4.38Å; V362-T400 PolarHBondContact N-OG1 2.87Å
363	L	96.3	Very high	93.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.2	173.7	-52.1	-175.3	0	0	0	111	V358 R374 M375 F381 V396 R397 A398 A402	V358-L363 HydrophobicContact CG2-CD1 3.77Å; V358-L363 HydrophobicContact CG2-CG 4.4Å; L363-R374 CarbonylContact O-C 3.52Å; L363-R374 VanDerWaalsContact O-CA 3.25Å; L363-R374 WeakPolarHBondContact O-CA 3.39Å; L363-M375 HydrophobicContact CB-CB 4.39Å; L363-M375 HydrophobicContact CB-CE 4.1Å; L363-M375 HydrophobicContact CD1-CE 4.06Å; L363-M375 PolarHBondContact N-O 2.65Å; L363-M375 PolarHBondContact O-N 2.82Å; L363-F381 HydrophobicContact CD1-CE1 3.85Å; L363-F381 HydrophobicContact CD1-CZ 3.65Å; L363-V396 HydrophobicContact CB-CG1 3.96Å; L363-V396 HydrophobicContact CD1-CG1 3.93Å; L363-V396 HydrophobicContact CG-CG1 4.49Å; L363-R397 CarbonylContact C-O 3.5Å; L363-R397 WeakPolarHBondContact CA-O 3.44Å; L363-A398 HydrophobicContact CD2-CB 3.69Å; L363-A402 HydrophobicContact CD2-CB 3.74Å
364	E	96	Very high	93.5	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.8	172.4	-84.5	169.7	171.9	0	0	110.7	Y366 L371 R374 V396 R397 V399	E364-Y366 HydrophobicContact CB-CD2 4.3Å; E364-Y366 HydrophobicContact CB-CE2 3.53Å; E364-Y366 PolarHBondContact OE2-OH 3.03Å; E364-L371 HydrophobicContact CB-CD1 3.76Å; E364-L371 HydrophobicContact CG-CD1 3.76Å; E364-R374 HydrophobicContact CG-CG 3.62Å; E364-R374 IonicContact OE1-CZ 2.68Å; E364-R374 VanDerWaalsContact OE1-CZ 3.23Å; E364-R374 IonicContact OE1-NE 2.69Å; E364-R374 PolarHBondContact OE1-NE 2.8Å; E364-R374 IonicContact OE1-NH2 3.52Å; E364-R374 PolarHBondContact OE1-NH2 2.86Å; E364-V396 WeakPolarHBondContact O-CA 3.4Å; E364-R397 PolarHBondContact N-O 3.41Å; E364-R397 PolarHBondContact O-N 3.44Å; E364-R397 IonicContact OE2-NH2 2.79Å; E364-R397 PolarHBondContact OE2-NH2 2.97Å; E364-R397 VanDerWaalsContact OE2-NH2 3.08Å; E364-V399 HydrophobicContact CB-CG2 3.86Å; E364-V399 HydrophobicContact CG-CG2 3.41Å; E364-V399 VanDerWaalsContact CG-CG2 3.41Å; E364-V399 WeakPolarHBondContact OE2-CG2 3.32Å
365	V	94.8	Very high	93.5	Very high	23 Å²	23	52.4 Å²	52.4	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.1	178.3	-173.3	0	0	0	0	109.2	L372 G373 M375 A394 S395 V396	V365-L372 HydrophobicContact CB-CB 4.45Å; V365-L372 HydrophobicContact CG1-CB 4.39Å; V365-L372 HydrophobicContact CG1-CD1 4.29Å; V365-L372 PolarHBondContact O-N 3.11Å; V365-G373 PolarHBondContact N-O 2.78Å; V365-M375 HydrophobicContact CG2-CE 3.71Å; V365-M375 HydrophobicContact CG2-CG 3.72Å; V365-M375 HydrophobicContact CG2-SD 3.7Å; V365-A394 HydrophobicContact CG1-CB 3.81Å; V365-S395 CarbonylContact C-O 3.55Å; V365-S395 WeakPolarHBondContact CA-O 3.37Å; V365-V396 HydrophobicContact CG2-CG2 4.32Å
366	Y	93.9	Very high	93.1	Very high	47 Å²	47	59.9 Å²	59.9	18%	0.184	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	178.7	-61.7	-98.4	0	0	0	110.4	E364 T370 L371 A394 S395 R397	E364-Y366 HydrophobicContact CB-CD2 4.3Å; E364-Y366 HydrophobicContact CB-CE2 3.53Å; E364-Y366 PolarHBondContact OE2-OH 3.03Å; Y366-T370 CarbonylContact C-O 3.56Å; Y366-T370 VanDerWaalsContact CA-O 3.24Å; Y366-T370 WeakPolarHBondContact CA-O 3.49Å; Y366-L371 HydrophobicContact CD1-CB 4.15Å; Y366-L371 HydrophobicContact CD1-CD1 4.26Å; Y366-L371 HydrophobicContact CE1-CB 4.03Å; Y366-L371 HydrophobicContact CE1-CD1 3.91Å; Y366-L371 HydrophobicContact CE2-CD1 4.24Å; Y366-A394 CarbonylContact O-C 3.56Å; Y366-A394 VanDerWaalsContact O-CA 3.31Å; Y366-A394 WeakPolarHBondContact O-CA 3.46Å; Y366-A394 WeakPolarHBondContact O-CB 3.36Å; Y366-S395 PolarHBondContact N-O 3.39Å; Y366-S395 PolarHBondContact O-N 3.14Å; Y366-R397 HydrophobicContact CE2-CB 4.16Å; Y366-R397 PolarHBondContact OH-NH2 2.82Å
367	K	91.1	Very high	93	Very high	91 Å²	91	62.8 Å²	62.8	40%	0.396	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.8	168	-173.3	-169.8	173.6	-165.9	0	109.2	E348 N369 T370 L372 T393 A394	E348-K367 VanDerWaalsContact OE1-CG 3.32Å; E348-K367 WeakPolarHBondContact OE1-CG 3.41Å; E348-K367 WeakPolarHBondContact OE2-CA 3.45Å; K367-N369 PolarHBondContact O-N 3.27Å; K367-T370 PolarHBondContact N-O 3.26Å; K367-T370 WeakPolarHBondContact O-CA 3.35Å; K367-T370 VanDerWaalsContact O-CB 3.29Å; K367-T370 WeakPolarHBondContact O-CB 3.41Å; K367-T370 PolarHBondContact O-N 2.84Å; K367-L372 HydrophobicContact CB-CD1 3.65Å; K367-L372 HydrophobicContact CB-CD2 4.34Å; K367-L372 HydrophobicContact CB-CG 4.02Å; K367-T393 WeakPolarHBondContact CG-O 3.44Å; K367-A394 HydrophobicContact CB-CB 4.35Å
368	D	90.1	Very high	92.8	Very high	117 Å²	117	63.8 Å²	63.8	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	42.6	-177	-61.1	-62.2	0	0	0	111.4	E348 T370	E348-D368 PolarHBondContact OE2-N 3.28Å; D368-T370 PolarHBondContact O-N 3.45Å
369	N	88.4	Confident	92.6	Very high	159 Å²	159	70.9 Å²	70.9	85%	0.85	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-0.5	-169.3	-69.1	-28.9	0	0	0	117	K367	K367-N369 PolarHBondContact O-N 3.27Å
370	T	93.3	Very high	92.4	Very high	91 Å²	91	71.2 Å²	71.2	56%	0.558	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	128	176.5	-56.4	0	0	0	0	110.3	Y366 K367 D368 L372	Y366-T370 CarbonylContact C-O 3.56Å; Y366-T370 VanDerWaalsContact CA-O 3.24Å; Y366-T370 WeakPolarHBondContact CA-O 3.49Å; K367-T370 PolarHBondContact N-O 3.26Å; K367-T370 WeakPolarHBondContact O-CA 3.35Å; K367-T370 VanDerWaalsContact O-CB 3.29Å; K367-T370 WeakPolarHBondContact O-CB 3.41Å; K367-T370 PolarHBondContact O-N 2.84Å; D368-T370 PolarHBondContact O-N 3.45Å; T370-L372 PolarHBondContact O-N 2.9Å
371	L	93.4	Very high	92.2	Very high	86 Å²	86	67.5 Å²	67.5	45%	0.45	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.1	174.3	179	68.5	0	0	0	109.7	E364 Y366	E364-L371 HydrophobicContact CB-CD1 3.76Å; E364-L371 HydrophobicContact CG-CD1 3.76Å; Y366-L371 HydrophobicContact CD1-CB 4.15Å; Y366-L371 HydrophobicContact CD1-CD1 4.26Å; Y366-L371 HydrophobicContact CE1-CB 4.03Å; Y366-L371 HydrophobicContact CE1-CD1 3.91Å; Y366-L371 HydrophobicContact CE2-CD1 4.24Å
372	L	91	Very high	92	Very high	110 Å²	110	67.4 Å²	67.4	58%	0.576	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	-24.6	177	-62	-173.5	0	0	0	112.9	V365 K367 T370	V365-L372 HydrophobicContact CB-CB 4.45Å; V365-L372 HydrophobicContact CG1-CB 4.39Å; V365-L372 HydrophobicContact CG1-CD1 4.29Å; V365-L372 PolarHBondContact O-N 3.11Å; K367-L372 HydrophobicContact CB-CD1 3.65Å; K367-L372 HydrophobicContact CB-CD2 4.34Å; K367-L372 HydrophobicContact CB-CG 4.02Å; T370-L372 PolarHBondContact O-N 2.9Å
373	G	92.6	Very high	91.6	Very high	29 Å²	29	66.4 Å²	66.4	30%	0.299	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-172.4	178.3	0	0	0	0	0	113.6	V365	V365-G373 PolarHBondContact N-O 2.78Å
374	R	93.3	Very high	90.8	Very high	152 Å²	152	67.4 Å²	67.4	57%	0.574	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.4	175.8	-74.6	176.9	175.1	179.2	-0.6	111.1	V362 L363 E364	V362-R374 HydrophobicContact CG1-CG 4.29Å; L363-R374 CarbonylContact O-C 3.52Å; L363-R374 VanDerWaalsContact O-CA 3.25Å; L363-R374 WeakPolarHBondContact O-CA 3.39Å; E364-R374 HydrophobicContact CG-CG 3.62Å; E364-R374 IonicContact OE1-CZ 2.68Å; E364-R374 VanDerWaalsContact OE1-CZ 3.23Å; E364-R374 IonicContact OE1-NE 2.69Å; E364-R374 PolarHBondContact OE1-NE 2.8Å; E364-R374 IonicContact OE1-NH2 3.52Å; E364-R374 PolarHBondContact OE1-NH2 2.86Å
375	M	90.2	Very high	89.9	Confident	13 Å²	13	66.9 Å²	66.9	6%	0.064	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.3	172	-61.8	-171.7	-62	0	0	110	V358 L363 V365 F381 V396	V358-M375 HydrophobicContact CG2-CB 4.4Å; L363-M375 HydrophobicContact CB-CB 4.39Å; L363-M375 HydrophobicContact CB-CE 4.1Å; L363-M375 HydrophobicContact CD1-CE 4.06Å; L363-M375 PolarHBondContact N-O 2.65Å; L363-M375 PolarHBondContact O-N 2.82Å; V365-M375 HydrophobicContact CG2-CE 3.71Å; V365-M375 HydrophobicContact CG2-CG 3.72Å; V365-M375 HydrophobicContact CG2-SD 3.7Å; M375-F381 HydrophobicContact CE-CB 4.3Å; M375-F381 HydrophobicContact CE-CD1 3.76Å; M375-F381 HydrophobicContact CE-CD2 3.86Å; M375-F381 HydrophobicContact CE-CE1 3.95Å; M375-F381 HydrophobicContact CE-CE2 4.04Å; M375-F381 HydrophobicContact CE-CG 3.71Å; M375-F381 HydrophobicContact CE-CZ 4.07Å; M375-F381 HydrophobicContact SD-CB 3.88Å; M375-F381 HydrophobicContact SD-CD1 4.05Å; M375-F381 HydrophobicContact SD-CG 3.91Å; M375-V396 HydrophobicContact CE-CB 4.4Å; M375-V396 HydrophobicContact CE-CG1 3.42Å; M375-V396 VanDerWaalsContact CE-CG1 3.42Å; M375-V396 HydrophobicContact CE-CG2 4.04Å
376	E	85.7	Confident	89.2	Confident	157 Å²	157	65.9 Å²	65.9	73%	0.734	34%	0.336	S	S	*	.			trans	-96.7	167.5	-179.6	-62.3	176.7	171.4	0	0	110.9	V358 R379	V358-E376 WeakPolarHBondContact CB-O 3.42Å; E376-R379 WeakPolarHBondContact O-CB 3.28Å; E376-R379 PolarHBondContact O-N 3.24Å
377	V	93.4	Very high	88.1	Confident	66 Å²	66	63.8 Å²	63.8	40%	0.4	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	140.7	175.1	176.8	0	0	0	0	110.4	W304 L308 V358 R379	W304-V377 HydrophobicContact CH2-CG1 4.46Å; L308-V377 HydrophobicContact CD1-CG1 4.03Å; L308-V377 HydrophobicContact CD2-CG1 3.96Å; V358-V377 HydrophobicContact CG1-CG2 4.24Å; V377-R379 VanDerWaalsContact C-N 3.35Å
378	G	91.7	Very high	87.1	Confident	22 Å²	22	60.3 Å²	60.3	23%	0.227	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	1	-175.9	0	0	0	0	0	114.9	A312 V358	A312-G378 WeakPolarHBondContact CA-O 3.5Å; A312-G378 WeakPolarHBondContact CB-O 3.46Å; V358-G378 PolarHBondContact O-N 3.03Å
379	R	90.9	Very high	86.1	Confident	149 Å²	149	58.3 Å²	58.3	56%	0.562	30%	0.302	S	S	*	.			trans	-89.4	127	175.5	-163.2	166	-173.8	152	2.9	112.1	V357 V358 E376 V377	V357-R379 WeakPolarHBondContact CA-O 3.28Å; V358-R379 PolarHBondContact N-O 2.73Å; E376-R379 WeakPolarHBondContact O-CB 3.28Å; E376-R379 PolarHBondContact O-N 3.24Å; V377-R379 VanDerWaalsContact C-N 3.35Å
380	A	92.8	Very high	85.3	Confident	10 Å²	10	51.3 Å²	51.3	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141.4	169.5	0	0	0	0	0	111.6	A312 N316 L355 Y356 V357	A312-A380 HydrophobicContact CB-CB 4.34Å; N316-A380 HydrophobicContact CB-CB 4.36Å; L355-A380 HydrophobicContact CD1-CB 4.49Å; Y356-A380 CarbonylContact O-C 3.48Å; Y356-A380 VanDerWaalsContact O-CA 3.3Å; Y356-A380 WeakPolarHBondContact O-CA 3.32Å; V357-A380 HydrophobicContact CG2-CB 4.01Å
381	F	90.9	Very high	84.7	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	150.2	176.7	68	-81.7	0	0	0	113.5	I345 I346 Y356 V358 L363 M375 V396	I345-F381 HydrophobicContact CD1-CE2 4.23Å; I345-F381 HydrophobicContact CD1-CZ 3.79Å; I345-F381 HydrophobicContact CG2-CE2 3.88Å; I345-F381 HydrophobicContact CG2-CZ 4.03Å; I346-F381 HydrophobicContact CD1-CD2 3.82Å; I346-F381 HydrophobicContact CD1-CE2 3.78Å; Y356-F381 VanDerWaalsContact CB-CE1 3.47Å; Y356-F381 HydrophobicContact CD2-CD2 4.32Å; Y356-F381 AromaticContact CD2-CE2 3.82Å; Y356-F381 HydrophobicContact CD2-CE2 3.82Å; Y356-F381 HydrophobicContact CD2-CZ 4.21Å; Y356-F381 HydrophobicContact CG-CE2 4.05Å; Y356-F381 AromaticContact CG-CZ 3.96Å; Y356-F381 HydrophobicContact CG-CZ 3.96Å; Y356-F381 PolarHBondContact N-O 3.08Å; Y356-F381 PolarHBondContact O-N 2.83Å; V358-F381 HydrophobicContact CG2-CD1 4.07Å; V358-F381 HydrophobicContact CG2-CE1 3.61Å; L363-F381 HydrophobicContact CD1-CE1 3.85Å; L363-F381 HydrophobicContact CD1-CZ 3.65Å; M375-F381 HydrophobicContact CE-CB 4.3Å; M375-F381 HydrophobicContact CE-CD1 3.76Å; M375-F381 HydrophobicContact CE-CD2 3.86Å; M375-F381 HydrophobicContact CE-CE1 3.95Å; M375-F381 HydrophobicContact CE-CE2 4.04Å; M375-F381 HydrophobicContact CE-CG 3.71Å; M375-F381 HydrophobicContact CE-CZ 4.07Å; M375-F381 HydrophobicContact SD-CB 3.88Å; M375-F381 HydrophobicContact SD-CD1 4.05Å; M375-F381 HydrophobicContact SD-CG 3.91Å; F381-V396 HydrophobicContact CD2-CG2 4.23Å; F381-V396 HydrophobicContact CE2-CB 4.34Å; F381-V396 HydrophobicContact CE2-CG1 4.04Å; F381-V396 HydrophobicContact CE2-CG2 4.21Å; F381-V396 HydrophobicContact CZ-CG1 4.36Å
382	G	87.8	Confident	84.4	Confident	14 Å²	14	51 Å²	51	14%	0.144	25%	0.252	C	S	.	.			trans	95.6	9.8	177.7	0	0	0	0	0	114.2	L384 A385 R392	G382-L384 VanDerWaalsContact C-N 3.31Å; G382-L384 PolarHBondContact O-N 2.87Å; G382-A385 VanDerWaalsContact O-CB 3.24Å; G382-A385 WeakPolarHBondContact O-CB 3.44Å; G382-A385 PolarHBondContact O-N 3.32Å; G382-R392 PolarHBondContact O-NH1 3.28Å
383	E	86.6	Confident	84.1	Confident	32 Å²	32	50 Å²	50	15%	0.15	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.1	-178	63.9	-87.4	-126.2	0	0	114.5	N316 F318 L355 A385 L386 M809	N316-E383 PolarHBondContact ND2-OE1 2.99Å; F318-E383 HydrophobicContact CD1-CB 4.29Å; F318-E383 HydrophobicContact CD1-CG 4.44Å; L355-E383 HydrophobicContact CD1-CB 4.05Å; E383-A385 PolarHBondContact O-N 2.94Å; E383-A385 VanDerWaalsContact O-N 3.11Å; E383-L386 VanDerWaalsContact O-CB 3.31Å; E383-L386 WeakPolarHBondContact O-CB 3.44Å; E383-L386 PolarHBondContact O-N 2.93Å; E383-M809 HydrophobicContact CG-SD 4.14Å
384	L	78	Confident	83.9	Confident	22 Å²	22	49.3 Å²	49.3	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-55.7	-31.1	175.2	-82.6	175	0	0	0	112.6	G382 L386 L387 Y388 M809 Y812	G382-L384 VanDerWaalsContact C-N 3.31Å; G382-L384 PolarHBondContact O-N 2.87Å; L384-L386 VanDerWaalsContact C-N 3.26Å; L384-L386 PolarHBondContact O-N 3.35Å; L384-L387 PolarHBondContact O-N 2.91Å; L384-Y388 HydrophobicContact CD2-CE1 4.39Å; L384-M809 HydrophobicContact CD1-CB 4.19Å; L384-M809 HydrophobicContact CD2-CB 3.97Å; L384-M809 HydrophobicContact CD2-CG 4.36Å; L384-M809 HydrophobicContact CD2-SD 3.65Å; L384-M809 HydrophobicContact CG-CB 4.21Å; L384-M809 HydrophobicContact CG-CG 4.41Å; L384-M809 HydrophobicContact CG-SD 3.91Å; L384-Y812 HydrophobicContact CD2-CD2 4.41Å; L384-Y812 HydrophobicContact CD2-CE2 4.21Å
385	A	79	Confident	84	Confident	1 Å²	1	43 Å²	43	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-71.6	-18.5	178	0	0	0	0	0	113.3	G382 E383 L387 R392 R409	G382-A385 VanDerWaalsContact O-CB 3.24Å; G382-A385 WeakPolarHBondContact O-CB 3.44Å; G382-A385 PolarHBondContact O-N 3.32Å; E383-A385 PolarHBondContact O-N 2.94Å; E383-A385 VanDerWaalsContact O-N 3.11Å; A385-L387 VanDerWaalsContact C-N 3.32Å; A385-R392 VanDerWaalsContact CB-NH1 3.33Å; A385-R409 PolarHBondContact O-NE 2.92Å; A385-R409 PolarHBondContact O-NH2 3.09Å
386	L	79.1	Confident	84.2	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-72.8	-28.4	174	-62	-178	0	0	0	112.3	L319 L355 E383 L384 F412	L319-L386 HydrophobicContact CD2-CD1 4.31Å; L355-L386 HydrophobicContact CB-CD1 3.68Å; L355-L386 HydrophobicContact CB-CD2 3.82Å; L355-L386 HydrophobicContact CB-CG 3.84Å; L355-L386 HydrophobicContact CD2-CD1 3.82Å; L355-L386 HydrophobicContact CG-CD1 4.23Å; E383-L386 VanDerWaalsContact O-CB 3.31Å; E383-L386 WeakPolarHBondContact O-CB 3.44Å; E383-L386 PolarHBondContact O-N 2.93Å; L384-L386 VanDerWaalsContact C-N 3.26Å; L384-L386 PolarHBondContact O-N 3.35Å; L386-F412 HydrophobicContact CB-CD1 3.78Å; L386-F412 HydrophobicContact CB-CE1 4.06Å; L386-F412 HydrophobicContact CB-CG 4.2Å; L386-F412 HydrophobicContact CD1-CB 4.4Å; L386-F412 HydrophobicContact CD1-CD1 4.17Å; L386-F412 HydrophobicContact CD1-CD2 3.77Å; L386-F412 HydrophobicContact CD1-CE1 4.39Å; L386-F412 HydrophobicContact CD1-CE2 4.01Å; L386-F412 HydrophobicContact CD1-CG 3.85Å; L386-F412 HydrophobicContact CD1-CZ 4.32Å; L386-F412 HydrophobicContact CD2-CB 3.9Å; L386-F412 HydrophobicContact CD2-CG 4.17Å; L386-F412 HydrophobicContact CG-CD1 4.39Å; L386-F412 HydrophobicContact CG-CG 4.31Å
387	L	71.3	Confident	84.7	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-78.5	-62.5	-173.9	-65.2	-178.5	0	0	0	112.1	F318 L384 A385 F763 I775 Y812	F318-L387 HydrophobicContact CE1-CD1 4.41Å; F318-L387 HydrophobicContact CE1-CD2 3.99Å; F318-L387 HydrophobicContact CE1-CG 4.33Å; F318-L387 HydrophobicContact CZ-CD1 4.28Å; F318-L387 HydrophobicContact CZ-CD2 3.67Å; F318-L387 HydrophobicContact CZ-CG 4.35Å; L384-L387 PolarHBondContact O-N 2.91Å; A385-L387 VanDerWaalsContact C-N 3.32Å; L387-F763 HydrophobicContact CB-CD2 3.79Å; L387-F763 HydrophobicContact CB-CE2 3.67Å; L387-F763 HydrophobicContact CB-CG 4.34Å; L387-F763 HydrophobicContact CB-CZ 4.16Å; L387-F763 HydrophobicContact CD1-CE2 3.93Å; L387-F763 HydrophobicContact CD1-CZ 4.36Å; L387-F763 HydrophobicContact CD2-CD2 4Å; L387-F763 HydrophobicContact CD2-CE2 3.89Å; L387-F763 HydrophobicContact CG-CD2 4.38Å; L387-F763 HydrophobicContact CG-CE2 4.04Å; L387-F763 WeakPolarHBondContact O-CB 3.4Å; L387-I775 HydrophobicContact CD1-CG2 4.35Å; L387-I775 WeakPolarHBondContact CD2-O 3.33Å; L387-Y812 HydrophobicContact CD1-CD2 3.97Å; L387-Y812 HydrophobicContact CD1-CE2 4.06Å
388	Y	69.1	Low	84.8	Confident	19 Å²	19	35.3 Å²	35.3	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-141.2	173.7	-175.6	63.5	-81.7	0	0	0	111.1	V283 L384 C390 R409 F763 Y812	V283-Y388 HydrophobicContact CB-CD2 3.63Å; V283-Y388 HydrophobicContact CB-CE2 3.82Å; V283-Y388 HydrophobicContact CB-CG 4.15Å; V283-Y388 HydrophobicContact CG1-CD2 3.99Å; V283-Y388 HydrophobicContact CG1-CE2 3.64Å; V283-Y388 HydrophobicContact CG2-CD1 4.28Å; V283-Y388 HydrophobicContact CG2-CD2 3.99Å; V283-Y388 HydrophobicContact CG2-CE1 4.48Å; V283-Y388 HydrophobicContact CG2-CE2 4.15Å; V283-Y388 HydrophobicContact CG2-CG 4.05Å; L384-Y388 HydrophobicContact CD2-CE1 4.39Å; Y388-C390 HydrophobicContact CD2-CB 3.78Å; Y388-C390 HydrophobicContact CE1-CB 4.36Å; Y388-C390 HydrophobicContact CE2-CB 3.29Å; Y388-C390 PolarHBondContact O-N 2.9Å; Y388-R409 PolarHBondContact O-NH2 2.91Å; Y388-F763 HydrophobicContact CD1-CD1 4.01Å; Y388-F763 AromaticContact CD1-CE1 3.58Å; Y388-F763 HydrophobicContact CD1-CE1 3.58Å; Y388-F763 AromaticContact CD1-CZ 3.99Å; Y388-F763 HydrophobicContact CD1-CZ 3.99Å; Y388-F763 HydrophobicContact CE1-CE1 4.36Å; Y388-F763 HydrophobicContact CG-CD1 4.17Å; Y388-F763 HydrophobicContact CG-CE1 4.1Å; Y388-Y812 HydrophobicContact CE1-CE2 4.07Å
389	N	70.4	Confident	85	Confident	75 Å²	75	36.1 Å²	36.1	40%	0.401	18%	0.179	S	C	.	.			trans	-75	66.2	179.6	-160.1	40.2	0	0	0	111.7	S284 R409	S284-N389 PolarHBondContact O-N 3.24Å; N389-R409 PolarHBondContact OD1-NH1 3.19Å
390	C	71.9	Confident	85.1	Confident	11 Å²	11	31.5 Å²	31.5	7%	0.074	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-79.1	148.6	177.8	88.7	0	0	0	0	110.6	G352 Y388	G352-C390 PolarHBondContact N-O 3.09Å; Y388-C390 HydrophobicContact CD2-CB 3.78Å; Y388-C390 HydrophobicContact CE1-CB 4.36Å; Y388-C390 HydrophobicContact CE2-CB 3.29Å; Y388-C390 PolarHBondContact O-N 2.9Å
391	K	79.3	Confident	85.3	Confident	155 Å²	155	36.3 Å²	36.3	67%	0.674	19%	0.192	S	C	*	.	B	Isolated β-bridge	trans	-72.1	143.9	157.8	-71.3	-175.9	171.3	-174.5	0	108.7	G349 E350 T393	G349-K391 WeakPolarHBondContact O-CD 3.48Å; G349-K391 WeakPolarHBondContact O-CG 3.45Å; E350-K391 CarbonylContact O-C 3.6Å; E350-K391 VanDerWaalsContact O-CA 3.3Å; E350-K391 WeakPolarHBondContact O-CA 3.4Å; K391-T393 PolarHBondContact O-N 3.06Å
392	R	86.9	Confident	85.5	Confident	15 Å²	15	35.7 Å²	35.7	6%	0.057	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-64	128.8	173.6	-63.5	-75.2	-163.4	-170.5	-3.1	108.6	I346 R347 G349 E350 G352 D353 A354 G382 A385	I346-R392 HydrophobicContact CG2-CB 3.61Å; I346-R392 HydrophobicContact CG2-CG 3.61Å; R347-R392 VanDerWaalsContact O-CB 3.29Å; R347-R392 WeakPolarHBondContact O-CB 3.49Å; G349-R392 PolarHBondContact N-O 2.9Å; E350-R392 WeakPolarHBondContact O-CG 3.36Å; E350-R392 PolarHBondContact O-N 3.38Å; G352-R392 VanDerWaalsContact CA-NE 3.3Å; D353-R392 IonicContact OD1-NH2 3.62Å; D353-R392 PolarHBondContact OD1-NH2 3.28Å; A354-R392 PolarHBondContact O-NH1 2.92Å; A354-R392 PolarHBondContact O-NH2 3.27Å; G382-R392 PolarHBondContact O-NH1 3.28Å; A385-R392 VanDerWaalsContact CB-NH1 3.33Å
393	T	84.7	Confident	85.9	Confident	89 Å²	89	35.2 Å²	35.2	55%	0.546	18%	0.184	S	C	.	.	S	Bend	trans	-88.9	-3.6	-171.1	48.6	0	0	0	0	114.5	K367 K391	K367-T393 WeakPolarHBondContact CG-O 3.44Å; K391-T393 PolarHBondContact O-N 3.06Å
394	A	89.9	Confident	86.4	Confident	16 Å²	16	33.7 Å²	33.7	13%	0.132	18%	0.177	C	C	.	.	S	Bend	trans	-159.1	156.3	179.3	0	0	0	0	0	107.9	I346 V365 Y366 K367	I346-A394 WeakPolarHBondContact CG2-O 3.47Å; V365-A394 HydrophobicContact CG1-CB 3.81Å; Y366-A394 CarbonylContact O-C 3.56Å; Y366-A394 VanDerWaalsContact O-CA 3.31Å; Y366-A394 WeakPolarHBondContact O-CA 3.46Å; Y366-A394 WeakPolarHBondContact O-CB 3.36Å; K367-A394 HydrophobicContact CB-CB 4.35Å
395	S	94	Very high	87.3	Confident	19 Å²	19	33.2 Å²	33.2	13%	0.133	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	147.8	168	-57.8	0	0	0	0	110.5	I346 E348 V365 Y366	I346-S395 CarbonylContact O-C 3.57Å; I346-S395 WeakPolarHBondContact O-CA 3.33Å; E348-S395 WeakPolarHBondContact CB-OG 3.29Å; E348-S395 PolarHBondContact N-OG 3.41Å; V365-S395 CarbonylContact C-O 3.55Å; V365-S395 WeakPolarHBondContact CA-O 3.37Å; Y366-S395 PolarHBondContact N-O 3.39Å; Y366-S395 PolarHBondContact O-N 3.14Å
396	V	95.5	Very high	88.1	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.4	173.5	-177.4	0	0	0	0	109.2	F344 I345 I346 L363 E364 V365 M375 F381	F344-V396 CarbonylContact C-O 3.55Å; F344-V396 VanDerWaalsContact CA-O 3.29Å; F344-V396 WeakPolarHBondContact CA-O 3.46Å; I345-V396 HydrophobicContact CG2-CB 3.6Å; I345-V396 HydrophobicContact CG2-CG1 3.53Å; I345-V396 PolarHBondContact N-O 2.9Å; I346-V396 HydrophobicContact CB-CB 4.14Å; I346-V396 HydrophobicContact CB-CG2 4.2Å; I346-V396 HydrophobicContact CD1-CG2 4.32Å; I346-V396 PolarHBondContact N-O 2.78Å; I346-V396 PolarHBondContact O-N 3.43Å; L363-V396 HydrophobicContact CB-CG1 3.96Å; L363-V396 HydrophobicContact CD1-CG1 3.93Å; L363-V396 HydrophobicContact CG-CG1 4.49Å; E364-V396 WeakPolarHBondContact O-CA 3.4Å; V365-V396 HydrophobicContact CG2-CG2 4.32Å; M375-V396 HydrophobicContact CE-CB 4.4Å; M375-V396 HydrophobicContact CE-CG1 3.42Å; M375-V396 VanDerWaalsContact CE-CG1 3.42Å; M375-V396 HydrophobicContact CE-CG2 4.04Å; F381-V396 HydrophobicContact CD2-CG2 4.23Å; F381-V396 HydrophobicContact CE2-CB 4.34Å; F381-V396 HydrophobicContact CE2-CG1 4.04Å; F381-V396 HydrophobicContact CE2-CG2 4.21Å; F381-V396 HydrophobicContact CZ-CG1 4.36Å
397	R	95.6	Very high	88.8	Confident	68 Å²	68	33.2 Å²	33.2	26%	0.257	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.3	-175.3	-171.7	-179.4	68.1	114.9	5.3	111	C343 F344 L363 E364 Y366	C343-R397 WeakPolarHBondContact O-CA 3.42Å; F344-R397 HydrophobicContact CD1-CB 4Å; F344-R397 HydrophobicContact CD1-CG 4.46Å; F344-R397 HydrophobicContact CD2-CG 4.17Å; F344-R397 HydrophobicContact CE1-CB 3.96Å; F344-R397 HydrophobicContact CE1-CG 4.36Å; F344-R397 HydrophobicContact CE2-CG 4.06Å; F344-R397 HydrophobicContact CG-CB 4.34Å; F344-R397 HydrophobicContact CG-CG 4.39Å; F344-R397 HydrophobicContact CZ-CB 4.25Å; F344-R397 HydrophobicContact CZ-CG 4.17Å; L363-R397 CarbonylContact C-O 3.5Å; L363-R397 WeakPolarHBondContact CA-O 3.44Å; E364-R397 PolarHBondContact N-O 3.41Å; E364-R397 PolarHBondContact O-N 3.44Å; E364-R397 IonicContact OE2-NH2 2.79Å; E364-R397 PolarHBondContact OE2-NH2 2.97Å; E364-R397 VanDerWaalsContact OE2-NH2 3.08Å; Y366-R397 HydrophobicContact CE2-CB 4.16Å; Y366-R397 PolarHBondContact OH-NH2 2.82Å
398	A	96	Very high	89.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.8	173.6	0	0	0	0	0	111.3	I339 G342 C343 L363 T400 A402	I339-A398 HydrophobicContact CB-CB 4.47Å; I339-A398 HydrophobicContact CG2-CB 3.7Å; G342-A398 WeakPolarHBondContact CA-O 3.19Å; G342-A398 PolarHBondContact N-O 3.29Å; C343-A398 PolarHBondContact O-N 3.31Å; L363-A398 HydrophobicContact CD2-CB 3.69Å; A398-T400 WeakPolarHBondContact CB-O 3.35Å; A398-A402 HydrophobicContact CB-CB 4.08Å
399	V	94.3	Very high	90.7	Very high	38 Å²	38	35.4 Å²	35.4	23%	0.23	19%	0.185	C	C	.	.	S	Bend	trans	-95.6	-19.5	178.1	-163.5	0	0	0	0	111.5	H341 V362 E364	H341-V399 PolarHBondContact CD2-O 3.5Å; V362-V399 HydrophobicContact CB-CB 4.42Å; V362-V399 HydrophobicContact CG1-CB 4.42Å; V362-V399 HydrophobicContact CG1-CG2 4.32Å; V362-V399 PolarHBondContact O-N 2.71Å; E364-V399 HydrophobicContact CB-CG2 3.86Å; E364-V399 HydrophobicContact CG-CG2 3.41Å; E364-V399 VanDerWaalsContact CG-CG2 3.41Å; E364-V399 WeakPolarHBondContact OE2-CG2 3.32Å
400	T	94.6	Very high	91.4	Very high	53 Å²	53	38.3 Å²	38.3	33%	0.325	19%	0.191	S	C	.	.	S	Bend	trans	-120.9	177.7	168	61.1	0	0	0	0	108.4	H341 G361 V362 A398 A402	H341-T400 WeakPolarHBondContact CA-O 3.47Å; G361-T400 WeakPolarHBondContact CA-OG1 3.37Å; V362-T400 HydrophobicContact CB-CG2 4.35Å; V362-T400 HydrophobicContact CG2-CG2 4.38Å; V362-T400 PolarHBondContact N-OG1 2.87Å; A398-T400 WeakPolarHBondContact CB-O 3.35Å; T400-A402 PolarHBondContact O-N 3.1Å
401	N	95.8	Very high	92.3	Very high	111 Å²	111	39.3 Å²	39.3	59%	0.594	20%	0.196	S	C	*	.	S	Bend	trans	-59.6	134.6	151.3	-68.9	-27.1	0	0	0	107.2	H341	H341-N401 PolarHBondContact N-OD1 3.05Å
402	A	96.1	Very high	92.8	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	161.8	-171.8	0	0	0	0	0	110.1	I339 D360 L363 A398 T400	I339-A402 WeakPolarHBondContact CA-O 3.31Å; I339-A402 HydrophobicContact CB-CB 4.37Å; I339-A402 PolarHBondContact N-O 3.05Å; I339-A402 PolarHBondContact O-N 3.36Å; D360-A402 CarbonylContact O-C 3.52Å; D360-A402 VanDerWaalsContact O-CA 3.24Å; D360-A402 WeakPolarHBondContact O-CA 3.3Å; D360-A402 VanDerWaalsContact O-CB 3.31Å; D360-A402 WeakPolarHBondContact O-CB 3.36Å; L363-A402 HydrophobicContact CD2-CB 3.74Å; A398-A402 HydrophobicContact CB-CB 4.08Å; T400-A402 PolarHBondContact O-N 3.1Å
403	S	95.8	Very high	92.8	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.1	173.1	77.5	0	0	0	0	111.1	K336 K337 Q338 S359 D360	K336-S403 WeakPolarHBondContact CE-OG 3.38Å; K337-S403 WeakPolarHBondContact O-CA 3.22Å; Q338-S403 VanDerWaalsContact OE1-CB 3.24Å; S359-S403 PolarHBondContact N-O 3.19Å; S359-S403 PolarHBondContact OG-O 3.26Å; S359-S403 PolarHBondContact OG-OG 2.92Å; S359-S403 VanDerWaalsContact OG-OG 3.05Å; D360-S403 WeakPolarHBondContact CB-OG 3.41Å; D360-S403 PolarHBondContact N-O 3.44Å; D360-S403 VanDerWaalsContact N-O 3.15Å; D360-S403 PolarHBondContact N-OG 3.2Å; D360-S403 PolarHBondContact O-N 2.86Å
404	A	96.5	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.1	176.6	0	0	0	0	0	110.9	K337 I339 I345 Y356 V357	K337-A404 PolarHBondContact N-O 2.75Å; K337-A404 PolarHBondContact O-N 3.27Å; I339-A404 HydrophobicContact CD1-CB 3.93Å; I345-A404 HydrophobicContact CD1-CB 4.16Å; Y356-A404 HydrophobicContact CD1-CB 4.38Å; V357-A404 CarbonylContact O-C 3.52Å; V357-A404 WeakPolarHBondContact O-CA 3.38Å; V357-A404 WeakPolarHBondContact O-CB 3.38Å
405	W	97.3	Very high	92.9	Very high	13 Å²	13	27.3 Å²	27.3	5%	0.049	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	136.3	162.7	-68	107.3	0	0	0	108.7	K301 I309 M334 Y335 K336 Y356 V357	K301-W405 HydrophobicContact CB-CH2 4.42Å; K301-W405 HydrophobicContact CD-CE3 4.31Å; K301-W405 HydrophobicContact CD-CH2 3.95Å; K301-W405 HydrophobicContact CD-CZ2 4.34Å; K301-W405 HydrophobicContact CD-CZ3 3.92Å; K301-W405 VanDerWaalsContact CE-CZ3 3.42Å; K301-W405 HydrophobicContact CG-CH2 3.64Å; K301-W405 HydrophobicContact CG-CZ2 4.26Å; K301-W405 HydrophobicContact CG-CZ3 3.93Å; I309-W405 HydrophobicContact CD1-CB 4.09Å; I309-W405 HydrophobicContact CD1-CD2 3.71Å; I309-W405 HydrophobicContact CD1-CE3 4.21Å; I309-W405 HydrophobicContact CD1-CG 3.6Å; I309-W405 HydrophobicContact CG1-CB 4.02Å; I309-W405 HydrophobicContact CG1-CD2 4.35Å; I309-W405 HydrophobicContact CG1-CG 3.73Å; M334-W405 HydrophobicContact CB-CB 4.3Å; M334-W405 HydrophobicContact CB-CE3 4.34Å; M334-W405 HydrophobicContact CE-CB 3.96Å; M334-W405 WeakPolarHBondContact CE-O 3.24Å; M334-W405 HydrophobicContact SD-CB 4Å; Y335-W405 VanDerWaalsContact C-CE3 3.41Å; Y335-W405 CarbonylContact O-C 3.58Å; Y335-W405 WeakPolarHBondContact O-CA 3.26Å; K336-W405 HydrophobicContact CB-CD2 4.34Å; K336-W405 HydrophobicContact CB-CE3 3.92Å; K336-W405 HydrophobicContact CB-CH2 3.84Å; K336-W405 HydrophobicContact CB-CZ2 4.29Å; K336-W405 HydrophobicContact CB-CZ3 3.65Å; K336-W405 HydrophobicContact CD-CH2 4.23Å; K336-W405 HydrophobicContact CD-CZ2 3.99Å; K336-W405 HydrophobicContact CG-CH2 4.44Å; K336-W405 HydrophobicContact CG-CZ2 4.41Å; Y356-W405 CarbonylContact C-O 3.55Å; Y356-W405 VanDerWaalsContact CA-O 3.25Å; Y356-W405 WeakPolarHBondContact CA-O 3.25Å; V357-W405 HydrophobicContact CB-CB 4.35Å; V357-W405 PolarHBondContact N-O 3.19Å; V357-W405 PolarHBondContact O-N 3.4Å
406	T	96.1	Very high	92.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.3	-174.1	-52.1	0	0	0	0	110.4	M334 Y335 K337 A354 L355 Y356	M334-T406 VanDerWaalsContact CA-O 3.31Å; M334-T406 WeakPolarHBondContact CA-O 3.14Å; Y335-T406 WeakPolarHBondContact CD1-O 3.43Å; Y335-T406 HydrophobicContact CE1-CG2 3.95Å; Y335-T406 HydrophobicContact CE2-CG2 4.22Å; Y335-T406 PolarHBondContact N-O 2.78Å; Y335-T406 PolarHBondContact O-N 3.24Å; Y335-T406 WeakPolarHBondContact OH-CG2 3.25Å; K337-T406 WeakPolarHBondContact CB-OG1 3.46Å; A354-T406 HydrophobicContact CB-CG2 3.83Å; L355-T406 WeakPolarHBondContact O-CA 3.47Å; Y356-T406 HydrophobicContact CD1-CG2 3.82Å; Y356-T406 WeakPolarHBondContact CD1-OG1 3.21Å; Y356-T406 HydrophobicContact CE1-CG2 3.4Å; Y356-T406 VanDerWaalsContact CE1-CG2 3.4Å; Y356-T406 WeakPolarHBondContact CE1-OG1 3.41Å
407	L	94.9	Very high	92	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121	170.2	-172.4	79.1	0	0	0	109.7	I330 C333 M334 A354 L355 V411 F412 I415	I330-L407 HydrophobicContact CB-CD2 4.48Å; I330-L407 HydrophobicContact CG1-CD2 4.02Å; I330-L407 HydrophobicContact CG2-CD1 4.41Å; I330-L407 HydrophobicContact CG2-CD2 3.84Å; C333-L407 HydrophobicContact CB-CD1 4Å; M334-L407 HydrophobicContact CE-CB 4.01Å; M334-L407 HydrophobicContact CG-CB 3.84Å; M334-L407 HydrophobicContact CG-CD1 4.12Å; A354-L407 CarbonylContact C-O 3.54Å; A354-L407 VanDerWaalsContact CA-O 3.25Å; A354-L407 WeakPolarHBondContact CA-O 3.43Å; A354-L407 WeakPolarHBondContact CB-O 3.48Å; L355-L407 HydrophobicContact CB-CB 4.4Å; L355-L407 PolarHBondContact N-O 2.68Å; L355-L407 PolarHBondContact O-N 3.02Å; L407-V411 HydrophobicContact CD1-CB 4.26Å; L407-V411 HydrophobicContact CD1-CG1 3.83Å; L407-F412 HydrophobicContact CD2-CB 3.75Å; L407-F412 HydrophobicContact CD2-CD2 3.84Å; L407-F412 HydrophobicContact CD2-CG 4.26Å; L407-F412 HydrophobicContact CG-CB 4.44Å; L407-I415 HydrophobicContact CD1-CD1 4.43Å
408	D	91.7	Very high	91.5	Very high	55 Å²	55	24 Å²	24	29%	0.294	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	146	178.2	-55.3	-39.2	0	0	0	111.6	Y335 R410 V411 F412	Y335-D408 PolarHBondContact OH-OD1 3.23Å; D408-R410 PolarHBondContact O-N 3.13Å; D408-R410 VanDerWaalsContact O-N 3.13Å; D408-V411 HydrophobicContact CB-CG2 4.3Å; D408-V411 PolarHBondContact O-N 2.83Å; D408-F412 PolarHBondContact O-N 3.13Å
409	R	87.3	Confident	90.7	Very high	13 Å²	13	25.5 Å²	25.5	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-47.5	-44.3	177.3	172.3	-168.3	-67.2	145.5	7.4	112	G352 D353 A385 Y388 N389 F412 Q413	G352-R409 PolarHBondContact O-NH2 2.92Å; D353-R409 WeakPolarHBondContact O-CA 3.31Å; D353-R409 WeakPolarHBondContact O-CB 3.31Å; D353-R409 PolarHBondContact O-N 2.85Å; A385-R409 PolarHBondContact O-NE 2.92Å; A385-R409 PolarHBondContact O-NH2 3.09Å; Y388-R409 PolarHBondContact O-NH2 2.91Å; N389-R409 PolarHBondContact OD1-NH1 3.19Å; R409-F412 PolarHBondContact O-N 3.07Å; R409-Q413 HydrophobicContact CG-CG 4.24Å; R409-Q413 WeakPolarHBondContact O-CB 3.21Å; R409-Q413 VanDerWaalsContact O-CG 3.28Å; R409-Q413 WeakPolarHBondContact O-CG 3.35Å; R409-Q413 PolarHBondContact O-N 2.89Å
410	R	85.8	Confident	89.9	Confident	136 Å²	136	24.8 Å²	24.8	51%	0.513	13%	0.128	S	C	.	.	H	α-helix	trans	-65.3	-41.2	-176	-65.4	-173.4	172.4	174.3	-3.7	111.7	E286 F288 D408 Q413 Q414	E286-R410 IonicContact OE1-NH2 3.57Å; E286-R410 IonicContact OE2-CZ 3.6Å; E286-R410 IonicContact OE2-NE 3.44Å; E286-R410 PolarHBondContact OE2-NE 2.81Å; E286-R410 IonicContact OE2-NH2 2.85Å; E286-R410 PolarHBondContact OE2-NH2 3.36Å; F288-R410 HydrophobicContact CE2-CB 4.15Å; F288-R410 HydrophobicContact CE2-CG 4.19Å; F288-R410 HydrophobicContact CZ-CB 4.4Å; D408-R410 PolarHBondContact O-N 3.13Å; D408-R410 VanDerWaalsContact O-N 3.13Å; R410-Q413 PolarHBondContact O-N 3.03Å; R410-Q414 WeakPolarHBondContact O-CB 3.48Å; R410-Q414 WeakPolarHBondContact O-CG 3.34Å; R410-Q414 PolarHBondContact O-N 3.39Å
411	V	90.9	Very high	89.3	Confident	32 Å²	32	24.1 Å²	24.1	19%	0.194	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-46.8	175.6	-178	0	0	0	0	109.6	L296 C333 L407 D408 Q413 Q414 I415	L296-V411 HydrophobicContact CD2-CG1 3.92Å; C333-V411 HydrophobicContact CB-CG1 3.63Å; L407-V411 HydrophobicContact CD1-CB 4.26Å; L407-V411 HydrophobicContact CD1-CG1 3.83Å; D408-V411 HydrophobicContact CB-CG2 4.3Å; D408-V411 PolarHBondContact O-N 2.83Å; V411-Q413 PolarHBondContact O-N 2.86Å; V411-Q414 PolarHBondContact O-N 2.83Å; V411-I415 HydrophobicContact CG1-CD1 4.09Å; V411-I415 VanDerWaalsContact O-CG1 3.27Å; V411-I415 WeakPolarHBondContact O-CG1 3.2Å; V411-I415 PolarHBondContact O-N 3.04Å
412	F	89.9	Confident	88.7	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-55.4	-47.4	173.3	-179.2	-101	0	0	0	112.6	L319 L322 I330 L386 L407 D408 R409 Q414 I415 M416	L319-F412 HydrophobicContact CD2-CE2 4.42Å; L322-F412 HydrophobicContact CD1-CE2 4.14Å; I330-F412 HydrophobicContact CD1-CD2 3.97Å; I330-F412 HydrophobicContact CD1-CE2 3.94Å; I330-F412 HydrophobicContact CG1-CD2 4.47Å; L386-F412 HydrophobicContact CB-CD1 3.78Å; L386-F412 HydrophobicContact CB-CE1 4.06Å; L386-F412 HydrophobicContact CB-CG 4.2Å; L386-F412 HydrophobicContact CD1-CB 4.4Å; L386-F412 HydrophobicContact CD1-CD1 4.17Å; L386-F412 HydrophobicContact CD1-CD2 3.77Å; L386-F412 HydrophobicContact CD1-CE1 4.39Å; L386-F412 HydrophobicContact CD1-CE2 4.01Å; L386-F412 HydrophobicContact CD1-CG 3.85Å; L386-F412 HydrophobicContact CD1-CZ 4.32Å; L386-F412 HydrophobicContact CD2-CB 3.9Å; L386-F412 HydrophobicContact CD2-CG 4.17Å; L386-F412 HydrophobicContact CG-CD1 4.39Å; L386-F412 HydrophobicContact CG-CG 4.31Å; L407-F412 HydrophobicContact CD2-CB 3.75Å; L407-F412 HydrophobicContact CD2-CD2 3.84Å; L407-F412 HydrophobicContact CD2-CG 4.26Å; L407-F412 HydrophobicContact CG-CB 4.44Å; D408-F412 PolarHBondContact O-N 3.13Å; R409-F412 PolarHBondContact O-N 3.07Å; F412-Q414 PolarHBondContact O-N 2.8Å; F412-I415 PolarHBondContact O-N 2.94Å; F412-M416 HydrophobicContact CD1-CG 4.14Å; F412-M416 HydrophobicContact CD2-CE 4.27Å; F412-M416 HydrophobicContact CE1-CG 3.78Å; F412-M416 HydrophobicContact CE1-SD 4.4Å; F412-M416 HydrophobicContact CE2-CE 3.77Å; F412-M416 HydrophobicContact CE2-CG 4.19Å; F412-M416 HydrophobicContact CE2-SD 4.12Å; F412-M416 HydrophobicContact CZ-CE 4.15Å; F412-M416 HydrophobicContact CZ-CG 3.81Å; F412-M416 HydrophobicContact CZ-SD 3.85Å; F412-M416 VanDerWaalsContact O-CG 3.27Å; F412-M416 WeakPolarHBondContact O-CG 3.3Å; F412-M416 PolarHBondContact O-N 2.82Å
413	Q	85.5	Confident	87.9	Confident	5 Å²	5	27.8 Å²	27.8	2%	0.023	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-40.2	177.8	-73.9	175.5	-30	0	0	112.3	F288 R409 R410 V411 M417	F288-Q413 HydrophobicContact CD2-CB 4.03Å; F288-Q413 VanDerWaalsContact CD2-OE1 3.27Å; F288-Q413 HydrophobicContact CE2-CB 4.18Å; F288-Q413 HydrophobicContact CG-CB 4.5Å; R409-Q413 HydrophobicContact CG-CG 4.24Å; R409-Q413 WeakPolarHBondContact O-CB 3.21Å; R409-Q413 VanDerWaalsContact O-CG 3.28Å; R409-Q413 WeakPolarHBondContact O-CG 3.35Å; R409-Q413 PolarHBondContact O-N 2.89Å; R410-Q413 PolarHBondContact O-N 3.03Å; V411-Q413 PolarHBondContact O-N 2.86Å; Q413-M417 VanDerWaalsContact O-CB 3.26Å; Q413-M417 WeakPolarHBondContact O-CB 3.37Å; Q413-M417 PolarHBondContact O-N 3.02Å
414	Q	88.4	Confident	87.1	Confident	16 Å²	16	29.4 Å²	29.4	8%	0.075	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-44.4	173.4	-76.9	171.6	-27.1	0	0	111.9	F288 Q292 L293 S294 L296 R410 V411 F412 M417 S418	F288-Q414 HydrophobicContact CE1-CG 3.56Å; F288-Q414 HydrophobicContact CZ-CG 3.64Å; Q292-Q414 PolarHBondContact O-NE2 3.11Å; L293-Q414 HydrophobicContact CD2-CB 4.5Å; L293-Q414 HydrophobicContact CD2-CG 4.43Å; S294-Q414 PolarHBondContact OG-NE2 2.88Å; S294-Q414 VanDerWaalsContact OG-NE2 3.08Å; L296-Q414 HydrophobicContact CD2-CB 3.88Å; R410-Q414 WeakPolarHBondContact O-CB 3.48Å; R410-Q414 WeakPolarHBondContact O-CG 3.34Å; R410-Q414 PolarHBondContact O-N 3.39Å; V411-Q414 PolarHBondContact O-N 2.83Å; F412-Q414 PolarHBondContact O-N 2.8Å; Q414-M417 PolarHBondContact O-N 3.03Å; Q414-S418 WeakPolarHBondContact O-CB 3.49Å; Q414-S418 PolarHBondContact O-N 3.4Å
415	I	89.6	Confident	86.6	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-59.4	-54.4	176.8	-64.3	167.9	0	0	0	110.2	L296 Q326 E329 I330 C333 L407 V411 F412 M417 S418 T419	L296-I415 HydrophobicContact CD1-CG1 3.81Å; L296-I415 HydrophobicContact CD2-CG1 3.98Å; Q326-I415 HydrophobicContact CB-CG2 4.45Å; E329-I415 HydrophobicContact CB-CD1 4.4Å; E329-I415 HydrophobicContact CB-CG1 4.39Å; E329-I415 HydrophobicContact CB-CG2 3.8Å; E329-I415 HydrophobicContact CG-CB 4.37Å; E329-I415 HydrophobicContact CG-CD1 4.05Å; E329-I415 HydrophobicContact CG-CG1 3.72Å; E329-I415 HydrophobicContact CG-CG2 3.86Å; I330-I415 HydrophobicContact CB-CD1 4.5Å; I330-I415 HydrophobicContact CG1-CD1 3.79Å; I330-I415 HydrophobicContact CG1-CG2 4.5Å; C333-I415 HydrophobicContact CB-CD1 4.15Å; L407-I415 HydrophobicContact CD1-CD1 4.43Å; V411-I415 HydrophobicContact CG1-CD1 4.09Å; V411-I415 VanDerWaalsContact O-CG1 3.27Å; V411-I415 WeakPolarHBondContact O-CG1 3.2Å; V411-I415 PolarHBondContact O-N 3.04Å; F412-I415 PolarHBondContact O-N 2.94Å; I415-M417 VanDerWaalsContact C-N 3.32Å; I415-M417 PolarHBondContact O-N 2.96Å; I415-S418 PolarHBondContact O-N 3Å; I415-T419 PolarHBondContact O-N 2.84Å; I415-T419 PolarHBondContact O-OG1 2.87Å; I415-T419 VanDerWaalsContact O-OG1 3.08Å
416	M	86.3	Confident	86	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-44.1	-179.4	-63.6	-63.8	108	0	0	112.3	L322 Q326 I330 F412 C420 N777	L322-M416 HydrophobicContact CD1-CE 4.27Å; L322-M416 HydrophobicContact CD2-CE 3.83Å; L322-M416 HydrophobicContact CD2-SD 3.57Å; L322-M416 VanDerWaalsContact CD2-SD 3.57Å; Q326-M416 HydrophobicContact CB-CE 3.78Å; Q326-M416 HydrophobicContact CG-CE 4.05Å; I330-M416 HydrophobicContact CD1-CE 4.22Å; F412-M416 HydrophobicContact CD1-CG 4.14Å; F412-M416 HydrophobicContact CD2-CE 4.27Å; F412-M416 HydrophobicContact CE1-CG 3.78Å; F412-M416 HydrophobicContact CE1-SD 4.4Å; F412-M416 HydrophobicContact CE2-CE 3.77Å; F412-M416 HydrophobicContact CE2-CG 4.19Å; F412-M416 HydrophobicContact CE2-SD 4.12Å; F412-M416 HydrophobicContact CZ-CE 4.15Å; F412-M416 HydrophobicContact CZ-CG 3.81Å; F412-M416 HydrophobicContact CZ-SD 3.85Å; F412-M416 VanDerWaalsContact O-CG 3.27Å; F412-M416 WeakPolarHBondContact O-CG 3.3Å; F412-M416 PolarHBondContact O-N 2.82Å; M416-C420 WeakPolarHBondContact O-CB 3.06Å; M416-C420 PolarHBondContact O-N 3.39Å; M416-N777 HydrophobicContact CB-CB 4.14Å; M416-N777 HydrophobicContact CG-CB 4.03Å
417	M	84	Confident	85.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-43.9	179.3	-172.5	173.1	84.4	0	0	112	F288 L293 Q413 Q414 I415 C420 I421 W761	F288-M417 HydrophobicContact CD1-CE 4.22Å; L293-M417 HydrophobicContact CD1-CE 3.72Å; L293-M417 HydrophobicContact CD2-CE 3.8Å; L293-M417 HydrophobicContact CG-CE 3.53Å; Q413-M417 VanDerWaalsContact O-CB 3.26Å; Q413-M417 WeakPolarHBondContact O-CB 3.37Å; Q413-M417 PolarHBondContact O-N 3.02Å; Q414-M417 PolarHBondContact O-N 3.03Å; I415-M417 VanDerWaalsContact C-N 3.32Å; I415-M417 PolarHBondContact O-N 2.96Å; M417-C420 PolarHBondContact O-N 2.97Å; M417-I421 HydrophobicContact CE-CD1 4.38Å; M417-I421 HydrophobicContact CG-CD1 3.61Å; M417-I421 HydrophobicContact CG-CG1 4.31Å; M417-I421 WeakPolarHBondContact O-CB 2.95Å; M417-I421 VanDerWaalsContact O-CG1 3.3Å; M417-I421 WeakPolarHBondContact O-CG1 3.24Å; M417-I421 PolarHBondContact O-N 3.19Å; M417-I421 HydrophobicContact SD-CD1 4.32Å; M417-W761 HydrophobicContact CB-CD2 4.37Å; M417-W761 HydrophobicContact CB-CG 4.28Å; M417-W761 HydrophobicContact CG-CD2 3.72Å; M417-W761 HydrophobicContact CG-CE3 4.08Å; M417-W761 HydrophobicContact CG-CG 4.13Å; M417-W761 HydrophobicContact CG-CH2 4.39Å; M417-W761 HydrophobicContact CG-CZ2 4.05Å; M417-W761 HydrophobicContact CG-CZ3 4.41Å; M417-W761 HydrophobicContact SD-CD2 3.95Å; M417-W761 HydrophobicContact SD-CE3 3.81Å; M417-W761 HydrophobicContact SD-CG 4.37Å; M417-W761 HydrophobicContact SD-CZ3 4.26Å
418	S	84.6	Confident	85	Confident	24 Å²	24	41.4 Å²	41.4	17%	0.168	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-52.1	-178.3	-176.1	0	0	0	0	111.8	Q414 I415 C420 I421 H422	Q414-S418 WeakPolarHBondContact O-CB 3.49Å; Q414-S418 PolarHBondContact O-N 3.4Å; I415-S418 PolarHBondContact O-N 3Å; S418-C420 VanDerWaalsContact C-N 3.3Å; S418-C420 PolarHBondContact O-N 3.14Å; S418-I421 PolarHBondContact O-N 3.06Å; S418-H422 WeakPolarHBondContact O-CB 3.06Å; S418-H422 PolarHBondContact O-CD2 2.93Å; S418-H422 PolarHBondContact O-N 3.14Å; S418-H422 PolarHBondContact OG-CD2 2.78Å; S418-H422 VanDerWaalsContact OG-CD2 3.28Å
419	T	80.3	Confident	84.8	Confident	30 Å²	30	46.9 Å²	46.9	18%	0.184	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-42.7	179	-46.5	0	0	0	0	111.6	Q326 I415 K423	Q326-T419 HydrophobicContact CG-CG2 4Å; I415-T419 PolarHBondContact O-N 2.84Å; I415-T419 PolarHBondContact O-OG1 2.87Å; I415-T419 VanDerWaalsContact O-OG1 3.08Å; T419-K423 VanDerWaalsContact O-CB 3.25Å; T419-K423 WeakPolarHBondContact O-CB 3.31Å; T419-K423 PolarHBondContact O-N 3.36Å
420	C	77.9	Confident	84.9	Confident	24 Å²	24	47.6 Å²	47.6	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-46.8	178.2	-176.9	0	0	0	0	112.3	M416 M417 S418 K423 Q424 K778	M416-C420 WeakPolarHBondContact O-CB 3.06Å; M416-C420 PolarHBondContact O-N 3.39Å; M417-C420 PolarHBondContact O-N 2.97Å; S418-C420 VanDerWaalsContact C-N 3.3Å; S418-C420 PolarHBondContact O-N 3.14Å; C420-K423 PolarHBondContact O-N 3.05Å; C420-Q424 WeakPolarHBondContact O-CB 3.31Å; C420-Q424 PolarHBondContact O-N 3.32Å; C420-K778 PolarHBondContact SG-O 3.24Å
421	I	81.8	Confident	85	Confident	38 Å²	38	41.1 Å²	41.1	20%	0.195	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-45.3	179	-71.3	174.5	0	0	0	110.9	M417 S418 Q424 Q425 W761	M417-I421 HydrophobicContact CE-CD1 4.38Å; M417-I421 HydrophobicContact CG-CD1 3.61Å; M417-I421 HydrophobicContact CG-CG1 4.31Å; M417-I421 WeakPolarHBondContact O-CB 2.95Å; M417-I421 VanDerWaalsContact O-CG1 3.3Å; M417-I421 WeakPolarHBondContact O-CG1 3.24Å; M417-I421 PolarHBondContact O-N 3.19Å; M417-I421 HydrophobicContact SD-CD1 4.32Å; S418-I421 PolarHBondContact O-N 3.06Å; I421-Q424 PolarHBondContact O-N 3.11Å; I421-Q425 HydrophobicContact CG2-CG 4.3Å; I421-Q425 WeakPolarHBondContact O-CB 3.49Å; I421-Q425 VanDerWaalsContact O-CG 3.25Å; I421-Q425 WeakPolarHBondContact O-CG 3.46Å; I421-Q425 PolarHBondContact O-N 3.33Å; I421-W761 HydrophobicContact CD1-CH2 4.19Å; I421-W761 HydrophobicContact CD1-CZ2 4.43Å; I421-W761 HydrophobicContact CG1-CH2 4.13Å; I421-W761 HydrophobicContact CG1-CZ2 4.09Å
422	H	82.7	Confident	84.9	Confident	111 Å²	111	44.9 Å²	44.9	51%	0.514	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-44.8	178.7	-75.8	-57.3	0	0	0	112.1	S418 Q424 Q425 E426	S418-H422 WeakPolarHBondContact O-CB 3.06Å; S418-H422 PolarHBondContact O-CD2 2.93Å; S418-H422 PolarHBondContact O-N 3.14Å; S418-H422 PolarHBondContact OG-CD2 2.78Å; S418-H422 VanDerWaalsContact OG-CD2 3.28Å; H422-Q424 PolarHBondContact O-N 3.35Å; H422-Q425 PolarHBondContact O-N 2.99Å; H422-E426 WeakPolarHBondContact O-CB 3.49Å; H422-E426 PolarHBondContact O-N 3.22Å
423	K	79.1	Confident	84.8	Confident	79 Å²	79	48.5 Å²	48.5	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-59.2	-45.9	175.5	-171.1	173	-173.5	165.3	0	111.8	E323 T419 C420 E426 N427	E323-K423 IonicContact OE1-NZ 3.86Å; E323-K423 PolarHBondContact OE1-NZ 2.97Å; E323-K423 IonicContact OE2-NZ 3.64Å; E323-K423 PolarHBondContact OE2-NZ 3.27Å; T419-K423 VanDerWaalsContact O-CB 3.25Å; T419-K423 WeakPolarHBondContact O-CB 3.31Å; T419-K423 PolarHBondContact O-N 3.36Å; C420-K423 PolarHBondContact O-N 3.05Å; K423-E426 PolarHBondContact O-N 2.91Å; K423-N427 WeakPolarHBondContact O-CB 3.31Å; K423-N427 PolarHBondContact O-N 2.94Å
424	Q	79.9	Confident	84.8	Confident	36 Å²	36	48.3 Å²	48.3	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-40.6	176.4	-169.9	-177.3	79.8	0	0	111.9	C420 I421 H422 M428 A449 D450	C420-Q424 WeakPolarHBondContact O-CB 3.31Å; C420-Q424 PolarHBondContact O-N 3.32Å; I421-Q424 PolarHBondContact O-N 3.11Å; H422-Q424 PolarHBondContact O-N 3.35Å; Q424-M428 WeakPolarHBondContact O-CB 3.28Å; Q424-M428 PolarHBondContact O-N 3.02Å; Q424-A449 HydrophobicContact CG-CB 4.22Å; Q424-D450 VanDerWaalsContact NE2-CG 3.29Å; Q424-D450 PolarHBondContact NE2-OD1 2.76Å; Q424-D450 PolarHBondContact NE2-OD2 3.18Å
425	Q	84.1	Confident	84.6	Confident	108 Å²	108	51 Å²	51	51%	0.505	26%	0.256	S	S	.	.	H	α-helix	trans	-65.5	-41.9	177.3	-77	177.7	4.1	0	0	112.6	I421 H422 M428 K429	I421-Q425 HydrophobicContact CG2-CG 4.3Å; I421-Q425 WeakPolarHBondContact O-CB 3.49Å; I421-Q425 VanDerWaalsContact O-CG 3.25Å; I421-Q425 WeakPolarHBondContact O-CG 3.46Å; I421-Q425 PolarHBondContact O-N 3.33Å; H422-Q425 PolarHBondContact O-N 2.99Å; Q425-M428 PolarHBondContact O-N 3.08Å; Q425-K429 WeakPolarHBondContact O-CB 3.45Å; Q425-K429 PolarHBondContact O-N 2.89Å
426	E	85.1	Confident	84.2	Confident	103 Å²	103	51 Å²	51	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-50.6	176	-168.5	-168	154.7	0	0	110.6	H422 K423 M428 K429 F430 K477	H422-E426 WeakPolarHBondContact O-CB 3.49Å; H422-E426 PolarHBondContact O-N 3.22Å; K423-E426 PolarHBondContact O-N 2.91Å; E426-M428 VanDerWaalsContact C-N 3.35Å; E426-M428 PolarHBondContact O-N 3.35Å; E426-K429 PolarHBondContact O-N 3.21Å; E426-K429 VanDerWaalsContact O-N 3.14Å; E426-F430 WeakPolarHBondContact O-CB 3.37Å; E426-F430 PolarHBondContact O-N 3.48Å; E426-K477 WeakPolarHBondContact OE1-CE 3.44Å; E426-K477 IonicContact OE1-NZ 2.96Å; E426-K477 PolarHBondContact OE1-NZ 3.05Å
427	N	84	Confident	84.2	Confident	13 Å²	13	51 Å²	51	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-57.2	-46.2	174.7	-76.2	-0.4	0	0	0	111.2	K423 K429 F430 L431 A449	K423-N427 WeakPolarHBondContact O-CB 3.31Å; K423-N427 PolarHBondContact O-N 2.94Å; N427-K429 VanDerWaalsContact C-N 3.35Å; N427-K429 PolarHBondContact O-N 2.78Å; N427-F430 PolarHBondContact O-N 2.97Å; N427-L431 WeakPolarHBondContact O-CB 3.16Å; N427-L431 WeakPolarHBondContact O-CG 3.32Å; N427-L431 PolarHBondContact O-N 3.28Å; N427-A449 HydrophobicContact CB-CB 3.76Å; N427-A449 PolarHBondContact ND2-O 3.23Å
428	M	86.3	Confident	84.2	Confident	43 Å²	43	56 Å²	56	21%	0.212	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-39.5	175.8	-108.4	177.3	52.5	0	0	113.2	Q424 Q425 E426 K432 M445 K446 A449	Q424-M428 WeakPolarHBondContact O-CB 3.28Å; Q424-M428 PolarHBondContact O-N 3.02Å; Q425-M428 PolarHBondContact O-N 3.08Å; E426-M428 VanDerWaalsContact C-N 3.35Å; E426-M428 PolarHBondContact O-N 3.35Å; M428-K432 WeakPolarHBondContact O-CB 3.34Å; M428-K432 VanDerWaalsContact O-CG 3.31Å; M428-K432 WeakPolarHBondContact O-CG 3.49Å; M428-K432 PolarHBondContact O-N 2.87Å; M428-K432 VanDerWaalsContact O-N 3.15Å; M428-M445 HydrophobicContact CG-CG 3.77Å; M428-K446 HydrophobicContact SD-CD 4.41Å; M428-K446 HydrophobicContact SD-CG 3.54Å; M428-K446 VanDerWaalsContact SD-CG 3.54Å; M428-A449 HydrophobicContact CG-CB 4.3Å
429	K	88.3	Confident	84.2	Confident	170 Å²	170	61 Å²	61	74%	0.739	30%	0.303	S	S	*	.	H	α-helix	trans	-67.4	-44.4	178.7	-174.8	-175.6	176.5	-172.2	0	110.5	Q425 E426 N427 K432 S433	Q425-K429 WeakPolarHBondContact O-CB 3.45Å; Q425-K429 PolarHBondContact O-N 2.89Å; E426-K429 PolarHBondContact O-N 3.21Å; E426-K429 VanDerWaalsContact O-N 3.14Å; N427-K429 VanDerWaalsContact C-N 3.35Å; N427-K429 PolarHBondContact O-N 2.78Å; K429-K432 PolarHBondContact O-N 3.23Å; K429-S433 PolarHBondContact O-N 2.91Å
430	F	88.3	Confident	84.3	Confident	27 Å²	27	60.4 Å²	60.4	12%	0.118	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-48.1	176.6	173.6	-101.1	0	0	0	112.1	E426 N427 K432 S433 V434 I475 I476 K477 L530	E426-F430 WeakPolarHBondContact O-CB 3.37Å; E426-F430 PolarHBondContact O-N 3.48Å; N427-F430 PolarHBondContact O-N 2.97Å; F430-K432 PolarHBondContact O-N 3.39Å; F430-S433 WeakPolarHBondContact O-CA 3.42Å; F430-S433 PolarHBondContact O-N 2.97Å; F430-S433 PolarHBondContact O-OG 2.84Å; F430-V434 HydrophobicContact CE1-CG2 3.94Å; F430-V434 HydrophobicContact CZ-CG2 3.95Å; F430-V434 PolarHBondContact O-N 2.99Å; F430-I475 HydrophobicContact CE1-CB 4.43Å; F430-I475 HydrophobicContact CE1-CG2 3.73Å; F430-I475 HydrophobicContact CZ-CG2 3.78Å; F430-I476 VanDerWaalsContact CZ-O 3.31Å; F430-I476 WeakPolarHBondContact CZ-O 3.34Å; F430-K477 HydrophobicContact CD2-CG 4.3Å; F430-K477 HydrophobicContact CE2-CB 4.41Å; F430-K477 HydrophobicContact CE2-CG 4.24Å; F430-K477 HydrophobicContact CZ-CB 4.28Å; F430-K477 HydrophobicContact CZ-CG 4.48Å; F430-L530 HydrophobicContact CD1-CD1 3.51Å; F430-L530 HydrophobicContact CE1-CD1 3.66Å; F430-L530 HydrophobicContact CE1-CG 4.38Å
431	L	87.4	Confident	84.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-30.2	178.7	-68.3	167.9	0	0	0	112.9	N427 S433 V434 L437 M445 L448 A449 L452 I475	N427-L431 WeakPolarHBondContact O-CB 3.16Å; N427-L431 WeakPolarHBondContact O-CG 3.32Å; N427-L431 PolarHBondContact O-N 3.28Å; L431-S433 VanDerWaalsContact C-N 3.3Å; L431-S433 PolarHBondContact O-N 3.16Å; L431-V434 PolarHBondContact O-N 3.34Å; L431-L437 HydrophobicContact CD2-CD1 3.56Å; L431-L437 WeakPolarHBondContact O-CB 3.29Å; L431-M445 HydrophobicContact CB-CE 4.11Å; L431-M445 HydrophobicContact CB-SD 3.32Å; L431-M445 WeakPolarHBondContact CB-SD 3.28Å; L431-M445 HydrophobicContact CD1-SD 3.79Å; L431-M445 HydrophobicContact CG-SD 4.22Å; L431-L448 HydrophobicContact CD1-CB 4.27Å; L431-L448 HydrophobicContact CD1-CD2 4.08Å; L431-L448 HydrophobicContact CD1-CG 3.96Å; L431-L448 HydrophobicContact CD2-CD2 4.01Å; L431-L448 HydrophobicContact CD2-CG 4.35Å; L431-A449 HydrophobicContact CD1-CB 3.99Å; L431-L452 HydrophobicContact CD1-CD1 3.77Å; L431-L452 HydrophobicContact CD2-CD1 3.42Å; L431-L452 VanDerWaalsContact CD2-CD1 3.42Å; L431-L452 HydrophobicContact CG-CD1 3.98Å; L431-I475 HydrophobicContact CD2-CD1 3.79Å
432	K	88.6	Confident	84.4	Confident	111 Å²	111	64.6 Å²	64.6	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-70.6	-21.3	171.6	-77.3	-179.4	175.7	-168.2	0	114.3	M428 K429 F430 K438 M445	M428-K432 WeakPolarHBondContact O-CB 3.34Å; M428-K432 VanDerWaalsContact O-CG 3.31Å; M428-K432 WeakPolarHBondContact O-CG 3.49Å; M428-K432 PolarHBondContact O-N 2.87Å; M428-K432 VanDerWaalsContact O-N 3.15Å; K429-K432 PolarHBondContact O-N 3.23Å; F430-K432 PolarHBondContact O-N 3.39Å; K432-K438 WeakPolarHBondContact O-CB 3.22Å; K432-M445 HydrophobicContact CG-CE 3.79Å
433	S	88.1	Confident	84	Confident	78 Å²	78	64 Å²	64	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-82.1	-19.2	170.4	50.2	0	0	0	0	113.7	K429 F430 L431 P435	K429-S433 PolarHBondContact O-N 2.91Å; F430-S433 WeakPolarHBondContact O-CA 3.42Å; F430-S433 PolarHBondContact O-N 2.97Å; F430-S433 PolarHBondContact O-OG 2.84Å; L431-S433 VanDerWaalsContact C-N 3.3Å; L431-S433 PolarHBondContact O-N 3.16Å; S433-P435 WeakPolarHBondContact O-CD 3.47Å
434	V	86.4	Confident	83.9	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.006	32%	0.323	C	S	.	.	S	Bend	trans	-71.9	118.7	175.4	177.6	0	0	0	0	109.4	F430 L431 A436 L437 K438 I475 W504	F430-V434 HydrophobicContact CE1-CG2 3.94Å; F430-V434 HydrophobicContact CZ-CG2 3.95Å; F430-V434 PolarHBondContact O-N 2.99Å; L431-V434 PolarHBondContact O-N 3.34Å; V434-A436 VanDerWaalsContact C-N 3.3Å; V434-A436 PolarHBondContact O-N 3.45Å; V434-L437 HydrophobicContact CB-CB 4.15Å; V434-L437 HydrophobicContact CB-CD1 4Å; V434-L437 HydrophobicContact CB-CG 4.28Å; V434-L437 HydrophobicContact CG1-CB 4.22Å; V434-L437 HydrophobicContact CG1-CD1 3.78Å; V434-L437 HydrophobicContact CG1-CG 3.89Å; V434-L437 HydrophobicContact CG2-CD1 4.41Å; V434-L437 PolarHBondContact O-N 2.74Å; V434-K438 PolarHBondContact O-N 2.8Å; V434-K438 VanDerWaalsContact O-N 3.13Å; V434-I475 HydrophobicContact CG2-CG2 3.78Å; V434-W504 HydrophobicContact CG1-CE3 4.09Å; V434-W504 HydrophobicContact CG1-CZ3 4.27Å
435	P	83.3	Confident	84.1	Confident	72 Å²	72	61 Å²	61	47%	0.468	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.4	-171.6	-29.7	36.6	0	0	0	114.6	S433 L437 K438	S433-P435 WeakPolarHBondContact O-CD 3.47Å; P435-L437 VanDerWaalsContact C-N 3.29Å; P435-L437 PolarHBondContact O-N 2.88Å; P435-K438 WeakPolarHBondContact O-CD 3.29Å; P435-K438 WeakPolarHBondContact O-CG 3.38Å
436	A	82.4	Confident	84	Confident	2 Å²	2	58 Å²	58	2%	0.017	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5.9	-178.8	0	0	0	0	0	115.1	V434 W504 L544 E546 F547	V434-A436 VanDerWaalsContact C-N 3.3Å; V434-A436 PolarHBondContact O-N 3.45Å; A436-W504 HydrophobicContact CB-CE3 4.47Å; A436-W504 HydrophobicContact CB-CH2 3.42Å; A436-W504 VanDerWaalsContact CB-CH2 3.42Å; A436-W504 HydrophobicContact CB-CZ2 3.78Å; A436-W504 HydrophobicContact CB-CZ3 3.82Å; A436-L544 VanDerWaalsContact O-CD1 3.26Å; A436-L544 WeakPolarHBondContact O-CD1 3.25Å; A436-E546 WeakPolarHBondContact CA-OE2 3.33Å; A436-E546 HydrophobicContact CB-CB 3.78Å; A436-F547 HydrophobicContact CB-CD1 4.38Å; A436-F547 HydrophobicContact CB-CE1 3.71Å; A436-F547 HydrophobicContact CB-CZ 3.78Å
437	L	85	Confident	83.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-17.5	-179.3	-62.7	175.5	0	0	0	113	L431 V434 P435 D439 L440 M445 L448 I475 I541 L544 F547	L431-L437 HydrophobicContact CD2-CD1 3.56Å; L431-L437 WeakPolarHBondContact O-CB 3.29Å; V434-L437 HydrophobicContact CB-CB 4.15Å; V434-L437 HydrophobicContact CB-CD1 4Å; V434-L437 HydrophobicContact CB-CG 4.28Å; V434-L437 HydrophobicContact CG1-CB 4.22Å; V434-L437 HydrophobicContact CG1-CD1 3.78Å; V434-L437 HydrophobicContact CG1-CG 3.89Å; V434-L437 HydrophobicContact CG2-CD1 4.41Å; V434-L437 PolarHBondContact O-N 2.74Å; P435-L437 VanDerWaalsContact C-N 3.29Å; P435-L437 PolarHBondContact O-N 2.88Å; L437-D439 PolarHBondContact O-N 3Å; L437-D439 VanDerWaalsContact O-N 3.09Å; L437-L440 HydrophobicContact CB-CD1 4.21Å; L437-L440 HydrophobicContact CD2-CD1 3.64Å; L437-L440 WeakPolarHBondContact O-CB 3.44Å; L437-L440 WeakPolarHBondContact O-CG 3.4Å; L437-L440 PolarHBondContact O-N 3.45Å; L437-M445 WeakPolarHBondContact O-CE 3.34Å; L437-L448 HydrophobicContact CD1-CD2 4.04Å; L437-L448 HydrophobicContact CD2-CD2 3.96Å; L437-I475 HydrophobicContact CD1-CD1 3.7Å; L437-I541 HydrophobicContact CD2-CB 4.36Å; L437-I541 HydrophobicContact CD2-CD1 4.18Å; L437-I541 HydrophobicContact CD2-CG2 3.84Å; L437-L544 HydrophobicContact CD2-CD1 4.1Å; L437-F547 HydrophobicContact CD2-CE2 3.77Å; L437-F547 HydrophobicContact CD2-CZ 3.65Å; L437-F547 HydrophobicContact CG-CZ 4.04Å
438	K	85.2	Confident	83.6	Confident	104 Å²	104	54.8 Å²	54.8	45%	0.452	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-35.7	-174.7	75.8	-167	179.9	-166.7	0	114.6	K432 V434 P435	K432-K438 WeakPolarHBondContact O-CB 3.22Å; V434-K438 PolarHBondContact O-N 2.8Å; V434-K438 VanDerWaalsContact O-N 3.13Å; P435-K438 WeakPolarHBondContact O-CD 3.29Å; P435-K438 WeakPolarHBondContact O-CG 3.38Å
439	D	83	Confident	83.5	Confident	129 Å²	129	52.9 Å²	52.9	69%	0.69	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	6.7	-174	-64.5	-42	0	0	0	113.5	L437	L437-D439 PolarHBondContact O-N 3Å; L437-D439 VanDerWaalsContact O-N 3.09Å
440	L	82.7	Confident	82.9	Confident	19 Å²	19	47 Å²	47	10%	0.099	25%	0.252	C	S	.	.	S	Bend	trans	-63	143.9	173.5	-76.7	174.8	0	0	0	112.1	L437 K444 M445 L448 I541 L544	L437-L440 HydrophobicContact CB-CD1 4.21Å; L437-L440 HydrophobicContact CD2-CD1 3.64Å; L437-L440 WeakPolarHBondContact O-CB 3.44Å; L437-L440 WeakPolarHBondContact O-CG 3.4Å; L437-L440 PolarHBondContact O-N 3.45Å; L440-K444 HydrophobicContact CB-CB 4.47Å; L440-K444 HydrophobicContact CD2-CB 4.2Å; L440-K444 HydrophobicContact CD2-CD 3.7Å; L440-M445 HydrophobicContact CB-CB 4.47Å; L440-M445 HydrophobicContact CB-CE 4.19Å; L440-L448 HydrophobicContact CD1-CD2 3.98Å; L440-I541 HydrophobicContact CD1-CG2 3.84Å; L440-L544 HydrophobicContact CD1-CD1 4.45Å; L440-L544 HydrophobicContact CD2-CD1 3.85Å; L440-L544 HydrophobicContact CD2-CD2 3.98Å; L440-L544 HydrophobicContact CD2-CG 4.35Å; L440-L544 HydrophobicContact CG-CD1 4.17Å
441	S	82	Confident	82.3	Confident	68 Å²	68	46.1 Å²	46.1	48%	0.476	25%	0.249	S	C	.	.			trans	-57.7	147.6	172.9	76.2	0	0	0	0	111.1	E443 K444 M445	S441-E443 PolarHBondContact O-N 3.34Å; S441-K444 PolarHBondContact O-N 2.95Å; S441-K444 VanDerWaalsContact O-N 3.1Å; S441-K444 PolarHBondContact OG-N 3.39Å; S441-M445 VanDerWaalsContact O-CB 3.31Å; S441-M445 WeakPolarHBondContact O-CB 3.31Å; S441-M445 PolarHBondContact O-N 2.76Å
442	S	80.4	Confident	82	Confident	82 Å²	82	46.6 Å²	46.6	57%	0.573	25%	0.252	S	S	*	.	H	α-helix	trans	-58.7	-24.7	-177.5	-70.8	0	0	0	0	113.6	K446	S442-K446 WeakPolarHBondContact O-CB 3.28Å; S442-K446 VanDerWaalsContact O-CG 3.28Å; S442-K446 WeakPolarHBondContact O-CG 3.5Å; S442-K446 PolarHBondContact O-N 3.28Å
443	E	74.1	Confident	81.5	Confident	99 Å²	99	46.4 Å²	46.4	46%	0.463	25%	0.253	S	S	.	.	H	α-helix	trans	-75	-50.3	173.6	-67.1	179.2	-173.6	0	0	112.4	S441 M445 K446 K447 H756	S441-E443 PolarHBondContact O-N 3.34Å; E443-M445 VanDerWaalsContact C-N 3.28Å; E443-M445 PolarHBondContact O-N 3.19Å; E443-K446 PolarHBondContact O-N 2.95Å; E443-K447 PolarHBondContact O-N 2.97Å; E443-H756 HydrophobicContact CG-CB 4.24Å; E443-H756 WeakPolarHBondContact OE1-CB 3.2Å; E443-H756 IonicContact OE1-CG 3.15Å; E443-H756 IonicContact OE1-ND1 2.63Å
444	K	76.5	Confident	81.3	Confident	48 Å²	48	46.9 Å²	46.9	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-44.2	174.9	-84.2	-164	171.7	-159.5	0	110.4	L440 S441 K446 K447 L448 L540 D543	L440-K444 HydrophobicContact CB-CB 4.47Å; L440-K444 HydrophobicContact CD2-CB 4.2Å; L440-K444 HydrophobicContact CD2-CD 3.7Å; S441-K444 PolarHBondContact O-N 2.95Å; S441-K444 VanDerWaalsContact O-N 3.1Å; S441-K444 PolarHBondContact OG-N 3.39Å; K444-K446 PolarHBondContact O-N 3.43Å; K444-K447 PolarHBondContact O-N 2.91Å; K444-L448 VanDerWaalsContact O-CB 3.31Å; K444-L448 WeakPolarHBondContact O-CB 3.4Å; K444-L448 PolarHBondContact O-N 3.31Å; K444-L540 WeakPolarHBondContact CE-O 3.45Å; K444-L540 PolarHBondContact NZ-O 3.41Å; K444-D543 IonicContact NZ-OD1 3.23Å; K444-D543 PolarHBondContact NZ-OD1 2.9Å; K444-D543 IonicContact NZ-OD2 3.08Å; K444-D543 PolarHBondContact NZ-OD2 2.74Å
445	M	85.6	Confident	81.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-41.3	178.9	-177.6	64.7	79.6	0	0	112.5	M428 L431 K432 L437 L440 S441 E443 A449	M428-M445 HydrophobicContact CG-CG 3.77Å; L431-M445 HydrophobicContact CB-CE 4.11Å; L431-M445 HydrophobicContact CB-SD 3.32Å; L431-M445 WeakPolarHBondContact CB-SD 3.28Å; L431-M445 HydrophobicContact CD1-SD 3.79Å; L431-M445 HydrophobicContact CG-SD 4.22Å; K432-M445 HydrophobicContact CG-CE 3.79Å; L437-M445 WeakPolarHBondContact O-CE 3.34Å; L440-M445 HydrophobicContact CB-CB 4.47Å; L440-M445 HydrophobicContact CB-CE 4.19Å; S441-M445 VanDerWaalsContact O-CB 3.31Å; S441-M445 WeakPolarHBondContact O-CB 3.31Å; S441-M445 PolarHBondContact O-N 2.76Å; E443-M445 VanDerWaalsContact C-N 3.28Å; E443-M445 PolarHBondContact O-N 3.19Å; M445-A449 WeakPolarHBondContact O-CB 3.19Å; M445-A449 PolarHBondContact O-N 2.34Å
446	K	81.4	Confident	81.7	Confident	45 Å²	45	49.4 Å²	49.4	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-72.2	-43.1	177	-77.7	-178.6	-173.3	-171	0	113.3	M428 S442 E443 K444 L448 A449 D450 G757	M428-K446 HydrophobicContact SD-CD 4.41Å; M428-K446 HydrophobicContact SD-CG 3.54Å; M428-K446 VanDerWaalsContact SD-CG 3.54Å; S442-K446 WeakPolarHBondContact O-CB 3.28Å; S442-K446 VanDerWaalsContact O-CG 3.28Å; S442-K446 WeakPolarHBondContact O-CG 3.5Å; S442-K446 PolarHBondContact O-N 3.28Å; E443-K446 PolarHBondContact O-N 2.95Å; K444-K446 PolarHBondContact O-N 3.43Å; K446-L448 VanDerWaalsContact C-N 3.26Å; K446-L448 PolarHBondContact O-N 3.06Å; K446-A449 PolarHBondContact O-N 3.35Å; K446-D450 WeakPolarHBondContact O-CB 3.43Å; K446-D450 PolarHBondContact O-N 3.05Å; K446-G757 WeakPolarHBondContact CD-O 3.41Å; K446-G757 WeakPolarHBondContact CE-O 3.34Å; K446-G757 PolarHBondContact NZ-O 3.34Å
447	K	79	Confident	82.3	Confident	50 Å²	50	51.8 Å²	51.8	22%	0.217	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-45.2	172.3	-70.4	-166	-177.3	-165.8	0	110	E443 K444 D450 V451 L540 Y851 G852	E443-K447 PolarHBondContact O-N 2.97Å; K444-K447 PolarHBondContact O-N 2.91Å; K447-D450 PolarHBondContact O-N 3.3Å; K447-V451 WeakPolarHBondContact O-CG1 3.42Å; K447-V451 WeakPolarHBondContact O-CG2 3.34Å; K447-V451 PolarHBondContact O-N 2.97Å; K447-V451 VanDerWaalsContact O-N 3.16Å; K447-L540 HydrophobicContact CB-CD2 3.98Å; K447-L540 HydrophobicContact CD-CD2 4.34Å; K447-Y851 PolarHBondContact NZ-O 2.78Å; K447-G852 PolarHBondContact NZ-O 2.98Å
448	L	81.6	Confident	82.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-46.8	175.5	-171.5	61.8	0	0	0	112.1	L431 L437 L440 K444 K446 D450 V451 L452 L532 L540 I541	L431-L448 HydrophobicContact CD1-CB 4.27Å; L431-L448 HydrophobicContact CD1-CD2 4.08Å; L431-L448 HydrophobicContact CD1-CG 3.96Å; L431-L448 HydrophobicContact CD2-CD2 4.01Å; L431-L448 HydrophobicContact CD2-CG 4.35Å; L437-L448 HydrophobicContact CD1-CD2 4.04Å; L437-L448 HydrophobicContact CD2-CD2 3.96Å; L440-L448 HydrophobicContact CD1-CD2 3.98Å; K444-L448 VanDerWaalsContact O-CB 3.31Å; K444-L448 WeakPolarHBondContact O-CB 3.4Å; K444-L448 PolarHBondContact O-N 3.31Å; K446-L448 VanDerWaalsContact C-N 3.26Å; K446-L448 PolarHBondContact O-N 3.06Å; L448-D450 PolarHBondContact O-N 3.31Å; L448-V451 HydrophobicContact CD1-CG2 4.48Å; L448-V451 PolarHBondContact O-N 2.92Å; L448-L452 HydrophobicContact CD1-CD1 4.37Å; L448-L452 HydrophobicContact CD1-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CG 4.25Å; L448-L452 HydrophobicContact CG-CD1 4.05Å; L448-L452 HydrophobicContact CG-CG 4.39Å; L448-L452 VanDerWaalsContact O-CG 3.27Å; L448-L452 WeakPolarHBondContact O-CG 3.44Å; L448-L452 PolarHBondContact O-N 3.4Å; L448-L532 HydrophobicContact CD1-CD1 4.23Å; L448-L532 HydrophobicContact CD1-CD2 3.71Å; L448-L540 HydrophobicContact CB-CD1 4.45Å; L448-L540 HydrophobicContact CD1-CD1 4.12Å; L448-I541 HydrophobicContact CD1-CD1 4.4Å; L448-I541 HydrophobicContact CD1-CG2 4.32Å; L448-I541 HydrophobicContact CD2-CG2 3.82Å
449	A	84.9	Confident	83.3	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-26.3	176.6	0	0	0	0	0	114.2	Q424 N427 M428 L431 M445 K446	Q424-A449 HydrophobicContact CG-CB 4.22Å; N427-A449 HydrophobicContact CB-CB 3.76Å; N427-A449 PolarHBondContact ND2-O 3.23Å; M428-A449 HydrophobicContact CG-CB 4.3Å; L431-A449 HydrophobicContact CD1-CB 3.99Å; M445-A449 WeakPolarHBondContact O-CB 3.19Å; M445-A449 PolarHBondContact O-N 2.34Å; K446-A449 PolarHBondContact O-N 3.35Å
450	D	76.1	Confident	83.7	Confident	45 Å²	45	51 Å²	51	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-81.3	-26.5	177.2	-79.6	-29	0	0	0	113.7	Q424 K446 K447 L448 K759	Q424-D450 VanDerWaalsContact NE2-CG 3.29Å; Q424-D450 PolarHBondContact NE2-OD1 2.76Å; Q424-D450 PolarHBondContact NE2-OD2 3.18Å; K446-D450 WeakPolarHBondContact O-CB 3.43Å; K446-D450 PolarHBondContact O-N 3.05Å; K447-D450 PolarHBondContact O-N 3.3Å; L448-D450 PolarHBondContact O-N 3.31Å; D450-K759 IonicContact OD1-NZ 2.66Å; D450-K759 PolarHBondContact OD1-NZ 3.03Å; D450-K759 WeakPolarHBondContact OD2-CE 3.45Å; D450-K759 IonicContact OD2-NZ 2.94Å; D450-K759 PolarHBondContact OD2-NZ 3.09Å
451	V	75.7	Confident	84.2	Confident	10 Å²	10	54.2 Å²	54.2	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-102.8	-7.3	-175.8	-53.4	0	0	0	0	114.8	K447 L448 L532 N536 L540 A846 Y851	K447-V451 WeakPolarHBondContact O-CG1 3.42Å; K447-V451 WeakPolarHBondContact O-CG2 3.34Å; K447-V451 PolarHBondContact O-N 2.97Å; K447-V451 VanDerWaalsContact O-N 3.16Å; L448-V451 HydrophobicContact CD1-CG2 4.48Å; L448-V451 PolarHBondContact O-N 2.92Å; V451-L532 HydrophobicContact CB-CD1 4.32Å; V451-L532 HydrophobicContact CG2-CD1 3.36Å; V451-N536 HydrophobicContact CG2-CB 4.43Å; V451-L540 HydrophobicContact CG2-CD1 3.51Å; V451-A846 HydrophobicContact CB-CB 3.93Å; V451-A846 HydrophobicContact CG1-CB 3.34Å; V451-Y851 HydrophobicContact CG1-CD1 4.45Å; V451-Y851 HydrophobicContact CG1-CE1 3.87Å
452	L	80.2	Confident	84.7	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.052	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-78.1	124.8	179.8	-77.4	169.3	0	0	0	111.8	L431 L448 I475 L530 L532	L431-L452 HydrophobicContact CD1-CD1 3.77Å; L431-L452 HydrophobicContact CD2-CD1 3.42Å; L431-L452 VanDerWaalsContact CD2-CD1 3.42Å; L431-L452 HydrophobicContact CG-CD1 3.98Å; L448-L452 HydrophobicContact CD1-CD1 4.37Å; L448-L452 HydrophobicContact CD1-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CG 4.25Å; L448-L452 HydrophobicContact CG-CD1 4.05Å; L448-L452 HydrophobicContact CG-CG 4.39Å; L448-L452 VanDerWaalsContact O-CG 3.27Å; L448-L452 WeakPolarHBondContact O-CG 3.44Å; L448-L452 PolarHBondContact O-N 3.4Å; L452-I475 HydrophobicContact CD1-CD1 4.41Å; L452-I475 HydrophobicContact CD2-CD1 4.36Å; L452-L530 HydrophobicContact CB-CB 4.25Å; L452-L530 HydrophobicContact CB-CD1 4.42Å; L452-L530 HydrophobicContact CD1-CB 4.37Å; L452-L530 HydrophobicContact CD1-CD1 3.92Å; L452-L530 HydrophobicContact CD2-CB 4.04Å; L452-L530 HydrophobicContact CG-CB 4.45Å; L452-L532 HydrophobicContact CD2-CB 3.94Å; L452-L532 HydrophobicContact CD2-CD1 4.17Å; L452-L532 HydrophobicContact CD2-CG 4.5Å
453	E	78.2	Confident	85.3	Confident	107 Å²	107	51.6 Å²	51.6	50%	0.5	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.7	179.6	-62.9	-171.5	148.5	0	0	110.7	L530 S531	E453-L530 CarbonylContact O-C 3.53Å; E453-L530 WeakPolarHBondContact O-CA 3.48Å; E453-S531 PolarHBondContact N-O 3.32Å; E453-S531 VanDerWaalsContact N-O 3.08Å; E453-S531 PolarHBondContact O-N 3.33Å; E453-S531 PolarHBondContact O-OG 3.43Å
454	P	82.9	Confident	86.1	Confident	88 Å²	88	47 Å²	47	57%	0.571	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.2	174.4	30.9	-32.3	0	0	0	110.8	L529 L530	P454-L529 WeakPolarHBondContact CA-O 3.15Å; P454-L530 HydrophobicContact CB-CD2 4.14Å
455	V	87.6	Confident	86.5	Confident	43 Å²	43	50.8 Å²	50.8	26%	0.261	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.3	176.9	-172.2	0	0	0	0	109.2	Y457 H528 L529 S531	V455-Y457 HydrophobicContact CB-CE2 4.29Å; V455-Y457 HydrophobicContact CG1-CD2 3.91Å; V455-Y457 HydrophobicContact CG1-CE2 3.4Å; V455-Y457 VanDerWaalsContact CG1-CE2 3.4Å; V455-H528 WeakPolarHBondContact O-CA 3.35Å; V455-L529 PolarHBondContact N-O 3.39Å; V455-L529 PolarHBondContact O-N 3.1Å; V455-S531 VanDerWaalsContact CG2-OG 3.24Å; V455-S531 WeakPolarHBondContact CG2-OG 3.21Å
456	F	92	Very high	86.5	Confident	83 Å²	83	53.5 Å²	53.5	36%	0.364	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.6	172.8	177	-107.6	0	0	0	109.7	E458 V527 H528	F456-E458 HydrophobicContact CE1-CG 4.1Å; F456-V527 WeakPolarHBondContact CA-O 3.41Å; F456-V527 WeakPolarHBondContact CD2-O 3.3Å; F456-H528 AromaticContact CD2-CD2 3.94Å; F456-H528 AromaticContact CD2-CE1 3.32Å; F456-H528 WeakPolarHBondContact CD2-CE1 3.5Å; F456-H528 AromaticContact CD2-CG 3.86Å; F456-H528 AromaticContact CD2-ND1 3.47Å; F456-H528 WeakPolarHBondContact CD2-ND1 3.12Å; F456-H528 AromaticContact CD2-NE2 3.64Å; F456-H528 AromaticContact CE2-CE1 3.93Å; F456-H528 AromaticContact CE2-NE2 3.84Å; F456-H528 AromaticContact CG-CE1 3.91Å
457	Y	94.1	Very high	86.1	Confident	51 Å²	51	52.9 Å²	52.9	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.4	174.8	-74.2	-94	0	0	0	110.1	V455 E461 I463 S522 G526 V527 L529	V455-Y457 HydrophobicContact CB-CE2 4.29Å; V455-Y457 HydrophobicContact CG1-CD2 3.91Å; V455-Y457 HydrophobicContact CG1-CE2 3.4Å; V455-Y457 VanDerWaalsContact CG1-CE2 3.4Å; Y457-E461 WeakPolarHBondContact CA-OE2 3.48Å; Y457-E461 HydrophobicContact CD1-CB 4.08Å; Y457-I463 HydrophobicContact CD1-CG1 3.81Å; Y457-I463 HydrophobicContact CD2-CG1 3.69Å; Y457-I463 HydrophobicContact CD2-CG2 4.32Å; Y457-I463 HydrophobicContact CE1-CB 4.34Å; Y457-I463 HydrophobicContact CE1-CG1 4.1Å; Y457-I463 HydrophobicContact CE2-CB 4.32Å; Y457-I463 HydrophobicContact CE2-CG1 3.99Å; Y457-I463 HydrophobicContact CE2-CG2 3.81Å; Y457-I463 HydrophobicContact CG-CG1 3.58Å; Y457-S522 PolarHBondContact O-OG 3.1Å; Y457-G526 VanDerWaalsContact O-CA 3.29Å; Y457-G526 WeakPolarHBondContact O-CA 3.38Å; Y457-V527 PolarHBondContact N-O 2.85Å; Y457-V527 PolarHBondContact O-N 3.26Å; Y457-L529 HydrophobicContact CD2-CD1 3.78Å; Y457-L529 HydrophobicContact CE2-CD1 3.81Å
458	E	94.9	Very high	86	Confident	108 Å²	108	53.8 Å²	53.8	51%	0.505	28%	0.28	S	S	.	.			trans	-66.3	158.6	178.8	-70.5	-72.2	-175.8	0	0	111.4	F456 G460 E461 S522	F456-E458 HydrophobicContact CE1-CG 4.1Å; E458-G460 PolarHBondContact O-N 2.93Å; E458-E461 HydrophobicContact CB-CG 4.02Å; E458-E461 PolarHBondContact N-OE2 3.18Å; E458-E461 WeakPolarHBondContact O-CB 3.4Å; E458-E461 WeakPolarHBondContact O-CG 3.45Å; E458-E461 PolarHBondContact O-N 3.34Å; E458-E461 VanDerWaalsContact O-N 3.13Å; E458-S522 WeakPolarHBondContact O-CB 3.17Å; E458-S522 PolarHBondContact O-OG 2.9Å
459	P	96.3	Very high	85.4	Confident	67 Å²	67	59.3 Å²	59.3	44%	0.435	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	127.6	178.5	-26	32.8	0	0	0	113.4	E461 A523	P459-E461 VanDerWaalsContact C-N 3.33Å; P459-A523 WeakPolarHBondContact CA-O 3.47Å
460	G	91.1	Very high	84.6	Confident	43 Å²	43	59.3 Å²	59.3	44%	0.443	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-3.5	179	0	0	0	0	0	115.6	E458 I521 S522	E458-G460 PolarHBondContact O-N 2.93Å; G460-I521 WeakPolarHBondContact O-CG2 3.42Å; G460-S522 WeakPolarHBondContact CA-O 3.48Å; G460-S522 PolarHBondContact N-O 2.8Å
461	E	93.9	Very high	84.3	Confident	87 Å²	87	63.2 Å²	63.2	41%	0.407	33%	0.326	S	S	.	.			trans	-69.9	143.2	174.7	-68.4	-166.8	132.1	0	0	112.5	Y457 E458 P459 I521 S522	Y457-E461 WeakPolarHBondContact CA-OE2 3.48Å; Y457-E461 HydrophobicContact CD1-CB 4.08Å; E458-E461 HydrophobicContact CB-CG 4.02Å; E458-E461 PolarHBondContact N-OE2 3.18Å; E458-E461 WeakPolarHBondContact O-CB 3.4Å; E458-E461 WeakPolarHBondContact O-CG 3.45Å; E458-E461 PolarHBondContact O-N 3.34Å; E458-E461 VanDerWaalsContact O-N 3.13Å; P459-E461 VanDerWaalsContact C-N 3.33Å; E461-I521 CarbonylContact O-C 3.47Å; E461-I521 WeakPolarHBondContact O-CA 3.32Å; E461-I521 WeakPolarHBondContact O-CG2 3.32Å; E461-S522 PolarHBondContact O-N 3.03Å
462	Y	92.5	Very high	84.4	Confident	82 Å²	82	64.8 Å²	64.8	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.9	173.7	-76.7	-110.3	0	0	0	109.4	R465 N519 I521	Y462-R465 HydrophobicContact CD1-CG 3.94Å; Y462-R465 VanDerWaalsContact CD1-NH1 3.27Å; Y462-R465 HydrophobicContact CG-CG 4.27Å; Y462-R465 VanDerWaalsContact CG-NH1 3.27Å; Y462-N519 HydrophobicContact CD1-CB 4.09Å; Y462-N519 HydrophobicContact CE1-CB 3.88Å; Y462-I521 HydrophobicContact CD1-CD1 4.21Å; Y462-I521 HydrophobicContact CD1-CG1 3.85Å; Y462-I521 HydrophobicContact CD2-CG1 4.4Å; Y462-I521 HydrophobicContact CE1-CD1 3.63Å; Y462-I521 HydrophobicContact CE1-CG1 3.81Å; Y462-I521 HydrophobicContact CE2-CD1 4.07Å; Y462-I521 HydrophobicContact CE2-CG1 4.34Å; Y462-I521 HydrophobicContact CG-CG1 4.16Å
463	I	93.5	Very high	84.8	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.062	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-37.2	174.1	-57.5	145.9	0	0	0	110	Y457 F474 V481 F505 V520 V527 L529	Y457-I463 HydrophobicContact CD1-CG1 3.81Å; Y457-I463 HydrophobicContact CD2-CG1 3.69Å; Y457-I463 HydrophobicContact CD2-CG2 4.32Å; Y457-I463 HydrophobicContact CE1-CB 4.34Å; Y457-I463 HydrophobicContact CE1-CG1 4.1Å; Y457-I463 HydrophobicContact CE2-CB 4.32Å; Y457-I463 HydrophobicContact CE2-CG1 3.99Å; Y457-I463 HydrophobicContact CE2-CG2 3.81Å; Y457-I463 HydrophobicContact CG-CG1 3.58Å; I463-F474 HydrophobicContact CG2-CD1 4.38Å; I463-F474 HydrophobicContact CG2-CD2 4.32Å; I463-F474 HydrophobicContact CG2-CE1 4.14Å; I463-F474 HydrophobicContact CG2-CE2 4.08Å; I463-F474 HydrophobicContact CG2-CG 4.45Å; I463-F474 HydrophobicContact CG2-CZ 3.98Å; I463-V481 HydrophobicContact CD1-CB 4.28Å; I463-V481 HydrophobicContact CD1-CG1 3.45Å; I463-V481 VanDerWaalsContact CD1-CG1 3.45Å; I463-F505 HydrophobicContact CD1-CZ 4.39Å; I463-F505 HydrophobicContact CG2-CE2 3.82Å; I463-F505 HydrophobicContact CG2-CZ 3.9Å; I463-V520 HydrophobicContact CD1-CG1 4.2Å; I463-V520 PolarHBondContact N-O 3.02Å; I463-V527 HydrophobicContact CD1-CG1 3.82Å; I463-L529 HydrophobicContact CD1-CD1 4.23Å; I463-L529 HydrophobicContact CG1-CD1 4.23Å; I463-L529 HydrophobicContact CG2-CD1 3.59Å
464	I	89.6	Confident	85.5	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.4	173.5	-73.2	176.4	0	0	0	107.7	E468 F474 F505 R516 A518 N519 V520	I464-E468 WeakPolarHBondContact CA-OE1 3.47Å; I464-F474 HydrophobicContact CD1-CD2 4.14Å; I464-F474 HydrophobicContact CD1-CE2 4.08Å; I464-F474 HydrophobicContact CG1-CE2 4.03Å; I464-F505 HydrophobicContact CD1-CD2 3.65Å; I464-F505 HydrophobicContact CD1-CE2 3.86Å; I464-F505 HydrophobicContact CG1-CE2 4.4Å; I464-R516 HydrophobicContact CG2-CB 3.75Å; I464-R516 HydrophobicContact CG2-CG 3.64Å; I464-A518 WeakPolarHBondContact CG2-O 3.46Å; I464-N519 CarbonylContact O-C 3.43Å; I464-N519 WeakPolarHBondContact O-CA 3.38Å; I464-V520 HydrophobicContact CB-CB 4.01Å; I464-V520 HydrophobicContact CB-CG2 4.02Å; I464-V520 HydrophobicContact CD1-CG2 4.18Å; I464-V520 HydrophobicContact CG2-CG2 4.46Å; I464-V520 PolarHBondContact N-O 3.3Å; I464-V520 PolarHBondContact O-N 2.8Å
465	R	84.9	Confident	85.9	Confident	127 Å²	127	55.4 Å²	55.4	48%	0.479	28%	0.284	S	S	.	.			trans	-102.5	140.9	166.9	-61.9	-170.5	173.3	-75.4	-4.5	110.8	Y462 E468 R516	Y462-R465 HydrophobicContact CD1-CG 3.94Å; Y462-R465 VanDerWaalsContact CD1-NH1 3.27Å; Y462-R465 HydrophobicContact CG-CG 4.27Å; Y462-R465 VanDerWaalsContact CG-NH1 3.27Å; R465-E468 WeakPolarHBondContact CB-OE2 3.24Å; R465-E468 VanDerWaalsContact N-CD 3.27Å; R465-E468 PolarHBondContact N-OE1 2.98Å; R465-E468 PolarHBondContact N-OE2 2.84Å; R465-E468 VanDerWaalsContact O-CG 3.24Å; R465-E468 WeakPolarHBondContact O-CG 3.31Å; R465-R516 WeakPolarHBondContact O-CB 3.24Å
466	E	85.3	Confident	86.2	Confident	58 Å²	58	53.4 Å²	53.4	27%	0.271	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	138.6	170.6	-171.8	179.6	146.7	0	0	110.9	E468 H485 T486 N519	E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 2.6Å; E466-H485 IonicContact OE1-CE1 3.46Å; E466-H485 PolarHBondContact OE1-CE1 3.27Å; E466-H485 IonicContact OE1-ND1 2.67Å; E466-H485 PolarHBondContact OE1-ND1 3.15Å; E466-H485 WeakPolarHBondContact OE2-CA 3.33Å; E466-H485 IonicContact OE2-CE1 3.63Å; E466-H485 IonicContact OE2-CG 2.89Å; E466-H485 IonicContact OE2-ND1 2.77Å; E466-H485 PolarHBondContact OE2-ND1 2.97Å; E466-T486 PolarHBondContact OE2-N 2.87Å; E466-N519 PolarHBondContact N-OD1 2.88Å
467	G	74.8	Confident	86.2	Confident	33 Å²	33	52.3 Å²	52.3	34%	0.34	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-7.3	177.2	0	0	0	0	0	116.3	K515 R516	G467-K515 WeakPolarHBondContact O-CD 3.36Å; G467-K515 VanDerWaalsContact O-CE 3.25Å; G467-K515 WeakPolarHBondContact O-CE 3.35Å; G467-K515 WeakPolarHBondContact O-CG 3.34Å; G467-K515 PolarHBondContact O-NZ 3.1Å; G467-R516 PolarHBondContact N-O 2.83Å
468	E	76.9	Confident	86.1	Confident	69 Å²	69	52 Å²	52	32%	0.322	27%	0.272	S	S	.	.	S	Bend	trans	-76.7	165.9	170.7	83.9	-163.8	171	0	0	111.5	I464 R465 E466 K515 R516	I464-E468 WeakPolarHBondContact CA-OE1 3.47Å; R465-E468 WeakPolarHBondContact CB-OE2 3.24Å; R465-E468 VanDerWaalsContact N-CD 3.27Å; R465-E468 PolarHBondContact N-OE1 2.98Å; R465-E468 PolarHBondContact N-OE2 2.84Å; R465-E468 VanDerWaalsContact O-CG 3.24Å; R465-E468 WeakPolarHBondContact O-CG 3.31Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 2.6Å; E468-K515 CarbonylContact O-C 3.53Å; E468-K515 WeakPolarHBondContact O-CA 3.32Å; E468-K515 WeakPolarHBondContact O-CB 3.33Å; E468-R516 HydrophobicContact CG-CB 4.27Å; E468-R516 HydrophobicContact CG-CG 3.56Å; E468-R516 PolarHBondContact O-N 2.79Å; E468-R516 IonicContact OE1-NE 3.23Å
469	L	68.1	Low	86.1	Confident	116 Å²	116	48 Å²	48	61%	0.607	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-78.3	134.2	174.9	-69.8	173.2	0	0	0	111	K515	L469-K515 HydrophobicContact CD2-CG 4.13Å
470	G	67.2	Low	86.1	Confident	2 Å²	2	50 Å²	50	2%	0.021	26%	0.261	C	S	.	.			trans	-87.1	113.4	179.2	0	0	0	0	0	113.3	L510 R534	G470-L510 VanDerWaalsContact O-CD2 3.32Å; G470-L510 WeakPolarHBondContact O-CD2 3.27Å; G470-R534 PolarHBondContact O-NH1 3.28Å
471	E	70.3	Confident	86.4	Confident	127 Å²	127	47.9 Å²	47.9	59%	0.593	24%	0.24	S	C	*	.			trans	-124	-3.2	177.3	-59.9	-165	162.4	0	0	114.6	D533 R534	E471-D533 CarbonylContact O-C 3.57Å; E471-R534 WeakPolarHBondContact O-CB 3.46Å; E471-R534 PolarHBondContact O-N 3.35Å
472	T	78.6	Confident	86.5	Confident	44 Å²	44	48 Å²	48	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.9	-177.8	-39.4	0	0	0	0	111.9	F474 R516	T472-F474 HydrophobicContact CG2-CD1 4.39Å; T472-F474 HydrophobicContact CG2-CD2 4.5Å; T472-F474 HydrophobicContact CG2-CE1 3.83Å; T472-F474 HydrophobicContact CG2-CE2 3.95Å; T472-F474 HydrophobicContact CG2-CZ 3.59Å; T472-R516 PolarHBondContact O-NH1 3.22Å; T472-R516 PolarHBondContact O-NH2 3.06Å
473	F	88.3	Confident	86.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.8	167.5	173.3	-110.7	0	0	0	109.4	I475 W504 E507 L510 S531 L532 F537 I541 F547	F473-I475 HydrophobicContact CD1-CG1 4.21Å; F473-I475 HydrophobicContact CE1-CD1 3.94Å; F473-I475 HydrophobicContact CE1-CG1 3.47Å; F473-I475 VanDerWaalsContact CE1-CG1 3.47Å; F473-I475 HydrophobicContact CZ-CG1 4.04Å; F473-W504 HydrophobicContact CE2-CB 3.78Å; F473-W504 AromaticContact CE2-CD1 3.65Å; F473-W504 AromaticContact CE2-CG 3.93Å; F473-W504 HydrophobicContact CE2-CG 3.93Å; F473-W504 HydrophobicContact CZ-CB 3.61Å; F473-W504 AromaticContact CZ-CG 3.91Å; F473-W504 HydrophobicContact CZ-CG 3.91Å; F473-E507 HydrophobicContact CD2-CB 3.82Å; F473-E507 HydrophobicContact CE2-CB 3.93Å; F473-L510 HydrophobicContact CB-CD1 3.56Å; F473-S531 CarbonylContact O-C 3.52Å; F473-S531 WeakPolarHBondContact O-CA 3.47Å; F473-L532 HydrophobicContact CB-CB 4.26Å; F473-L532 HydrophobicContact CD1-CB 4.1Å; F473-L532 HydrophobicContact CD1-CD2 4.21Å; F473-L532 PolarHBondContact N-O 2.73Å; F473-L532 PolarHBondContact O-N 3.32Å; F473-F537 HydrophobicContact CB-CB 4.17Å; F473-F537 HydrophobicContact CB-CD2 3.55Å; F473-F537 HydrophobicContact CB-CE2 4.27Å; F473-F537 HydrophobicContact CB-CG 3.97Å; F473-F537 AromaticContact CD1-CD2 3.63Å; F473-F537 HydrophobicContact CD1-CD2 3.63Å; F473-F537 HydrophobicContact CD1-CE2 4.04Å; F473-F537 AromaticContact CD2-CD2 3.72Å; F473-F537 HydrophobicContact CD2-CD2 3.72Å; F473-F537 AromaticContact CD2-CE2 3.54Å; F473-F537 HydrophobicContact CD2-CE2 3.54Å; F473-F537 HydrophobicContact CD2-CZ 4.42Å; F473-F537 HydrophobicContact CE1-CD2 4.15Å; F473-F537 HydrophobicContact CE1-CE2 4.18Å; F473-F537 HydrophobicContact CE2-CD2 4.23Å; F473-F537 AromaticContact CE2-CE2 3.7Å; F473-F537 HydrophobicContact CE2-CE2 3.7Å; F473-F537 AromaticContact CG-CD2 3.36Å; F473-F537 HydrophobicContact CG-CD2 3.36Å; F473-F537 AromaticContact CG-CE2 3.71Å; F473-F537 HydrophobicContact CG-CE2 3.71Å; F473-F537 HydrophobicContact CG-CG 4.27Å; F473-F537 HydrophobicContact CZ-CD2 4.43Å; F473-F537 HydrophobicContact CZ-CE2 4.02Å; F473-I541 HydrophobicContact CD1-CD1 4.16Å; F473-I541 HydrophobicContact CE1-CD1 3.71Å; F473-I541 HydrophobicContact CZ-CD1 4.28Å; F473-F547 HydrophobicContact CE2-CD1 4.47Å; F473-F547 HydrophobicContact CE2-CE1 4.3Å; F473-F547 HydrophobicContact CZ-CD1 4.41Å; F473-F547 AromaticContact CZ-CE1 3.83Å; F473-F547 HydrophobicContact CZ-CE1 3.83Å; F473-F547 HydrophobicContact CZ-CZ 4.07Å
474	F	91.8	Very high	86.5	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.7	-179.2	-60.2	-85.9	0	0	0	111.4	I463 I464 T472 W504 F505 L529 L530	I463-F474 HydrophobicContact CG2-CD1 4.38Å; I463-F474 HydrophobicContact CG2-CD2 4.32Å; I463-F474 HydrophobicContact CG2-CE1 4.14Å; I463-F474 HydrophobicContact CG2-CE2 4.08Å; I463-F474 HydrophobicContact CG2-CG 4.45Å; I463-F474 HydrophobicContact CG2-CZ 3.98Å; I464-F474 HydrophobicContact CD1-CD2 4.14Å; I464-F474 HydrophobicContact CD1-CE2 4.08Å; I464-F474 HydrophobicContact CG1-CE2 4.03Å; T472-F474 HydrophobicContact CG2-CD1 4.39Å; T472-F474 HydrophobicContact CG2-CD2 4.5Å; T472-F474 HydrophobicContact CG2-CE1 3.83Å; T472-F474 HydrophobicContact CG2-CE2 3.95Å; T472-F474 HydrophobicContact CG2-CZ 3.59Å; F474-W504 CarbonylContact O-C 3.6Å; F474-W504 WeakPolarHBondContact O-CA 3.38Å; F474-W504 VanDerWaalsContact O-CB 3.32Å; F474-W504 WeakPolarHBondContact O-CB 3.19Å; F474-F505 HydrophobicContact CB-CD1 4.44Å; F474-F505 HydrophobicContact CB-CD2 4.01Å; F474-F505 HydrophobicContact CB-CE1 4.01Å; F474-F505 HydrophobicContact CB-CE2 3.56Å; F474-F505 HydrophobicContact CB-CG 4.44Å; F474-F505 HydrophobicContact CB-CZ 3.55Å; F474-F505 AromaticContact CD2-CD2 3.95Å; F474-F505 HydrophobicContact CD2-CD2 3.95Å; F474-F505 AromaticContact CD2-CE2 3.44Å; F474-F505 HydrophobicContact CD2-CE2 3.44Å; F474-F505 VanDerWaalsContact CD2-CE2 3.44Å; F474-F505 HydrophobicContact CD2-CZ 4.2Å; F474-F505 HydrophobicContact CE2-CE2 4.29Å; F474-F505 HydrophobicContact CG-CD2 4.38Å; F474-F505 AromaticContact CG-CE2 3.69Å; F474-F505 HydrophobicContact CG-CE2 3.69Å; F474-F505 AromaticContact CG-CZ 3.98Å; F474-F505 HydrophobicContact CG-CZ 3.98Å; F474-F505 PolarHBondContact N-O 3.41Å; F474-F505 PolarHBondContact O-N 3.02Å; F474-L529 HydrophobicContact CB-CD1 4.34Å; F474-L529 HydrophobicContact CD1-CB 4.25Å; F474-L529 HydrophobicContact CD1-CD1 3.69Å; F474-L529 HydrophobicContact CE1-CD1 4.25Å; F474-L529 HydrophobicContact CG-CD1 4.2Å; F474-L530 WeakPolarHBondContact CA-O 3.43Å
475	I	92.5	Very high	86.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134	168.1	-47.3	171.4	0	0	0	107.6	F430 L431 V434 L437 L452 F473 K477 W504 L529 L530	F430-I475 HydrophobicContact CE1-CB 4.43Å; F430-I475 HydrophobicContact CE1-CG2 3.73Å; F430-I475 HydrophobicContact CZ-CG2 3.78Å; L431-I475 HydrophobicContact CD2-CD1 3.79Å; V434-I475 HydrophobicContact CG2-CG2 3.78Å; L437-I475 HydrophobicContact CD1-CD1 3.7Å; L452-I475 HydrophobicContact CD1-CD1 4.41Å; L452-I475 HydrophobicContact CD2-CD1 4.36Å; F473-I475 HydrophobicContact CD1-CG1 4.21Å; F473-I475 HydrophobicContact CE1-CD1 3.94Å; F473-I475 HydrophobicContact CE1-CG1 3.47Å; F473-I475 VanDerWaalsContact CE1-CG1 3.47Å; F473-I475 HydrophobicContact CZ-CG1 4.04Å; I475-K477 PolarHBondContact O-N 3.22Å; I475-W504 HydrophobicContact CG1-CB 4.48Å; I475-L529 CarbonylContact O-C 3.58Å; I475-L529 VanDerWaalsContact O-CA 3.29Å; I475-L529 WeakPolarHBondContact O-CA 3.17Å; I475-L530 HydrophobicContact CB-CB 4.5Å; I475-L530 PolarHBondContact N-O 3.16Å; I475-L530 PolarHBondContact O-N 3.06Å
476	I	93.8	Very high	86.2	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.8	178.9	-57.3	178.1	0	0	0	109	F430 V481 L499 T500 G502 D503 F505 V527 L529	F430-I476 VanDerWaalsContact CZ-O 3.31Å; F430-I476 WeakPolarHBondContact CZ-O 3.34Å; I476-V481 HydrophobicContact CD1-CG1 4.33Å; I476-V481 HydrophobicContact CD1-CG2 3.67Å; I476-L499 HydrophobicContact CD1-CB 3.56Å; I476-T500 WeakPolarHBondContact CB-O 3.32Å; I476-G502 PolarHBondContact O-N 3.4Å; I476-D503 HydrophobicContact CD1-CB 4.21Å; I476-D503 PolarHBondContact N-O 3.16Å; I476-F505 HydrophobicContact CD1-CD1 4.24Å; I476-F505 HydrophobicContact CD1-CE1 3.99Å; I476-F505 HydrophobicContact CG1-CD1 4.22Å; I476-F505 HydrophobicContact CG1-CE1 3.76Å; I476-V527 HydrophobicContact CG2-CG2 3.82Å; I476-L529 HydrophobicContact CB-CD2 4.28Å; I476-L529 HydrophobicContact CG1-CD2 3.79Å
477	K	91.1	Very high	86.1	Confident	60 Å²	60	42.7 Å²	42.7	26%	0.261	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-46.1	176.9	-173.2	178.8	176.6	-179.8	0	111.4	E426 F430 I475 H528 L530	E426-K477 WeakPolarHBondContact OE1-CE 3.44Å; E426-K477 IonicContact OE1-NZ 2.96Å; E426-K477 PolarHBondContact OE1-NZ 3.05Å; F430-K477 HydrophobicContact CD2-CG 4.3Å; F430-K477 HydrophobicContact CE2-CB 4.41Å; F430-K477 HydrophobicContact CE2-CG 4.24Å; F430-K477 HydrophobicContact CZ-CB 4.28Å; F430-K477 HydrophobicContact CZ-CG 4.48Å; I475-K477 PolarHBondContact O-N 3.22Å; K477-H528 WeakPolarHBondContact CA-O 3.42Å; K477-H528 HydrophobicContact CB-CB 4.33Å; K477-H528 WeakPolarHBondContact CB-O 3.36Å; K477-H528 PolarHBondContact N-O 2.82Å; K477-L530 HydrophobicContact CB-CG 4.39Å; K477-L530 HydrophobicContact CD-CD2 4.31Å
478	S	93.2	Very high	86.2	Confident	45 Å²	45	47 Å²	47	32%	0.315	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	144.7	172.4	56.1	0	0	0	0	111.7	D501 V527 H528	S478-D501 WeakPolarHBondContact CA-OD1 3.39Å; S478-V527 WeakPolarHBondContact O-CG2 3.46Å; S478-H528 PolarHBondContact N-O 2.88Å; S478-H528 PolarHBondContact O-N 3.22Å; S478-H528 PolarHBondContact OG-CD2 2.92Å
479	G	94.7	Very high	85.9	Confident	24 Å²	24	47.9 Å²	47.9	25%	0.247	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.6	-163.3	179.8	0	0	0	0	0	112	D501	G479-D501 PolarHBondContact N-OD1 2.9Å; G479-D501 VanDerWaalsContact O-OD1 3.11Å
480	K	96.7	Very high	86.4	Confident	108 Å²	108	45.2 Å²	45.2	47%	0.47	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.2	-175.2	-57.2	-171.7	-179.9	176.8	0	111.9	L499 T500 A523	K480-L499 WeakPolarHBondContact CA-O 3.32Å; K480-T500 HydrophobicContact CD-CG2 4.27Å; K480-T500 HydrophobicContact CG-CG2 4.1Å; K480-A523 HydrophobicContact CB-CB 3.86Å; K480-A523 WeakPolarHBondContact O-CB 3.39Å; K480-A523 PolarHBondContact O-N 3.32Å
481	V	96.9	Very high	86.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.9	170	-54.5	0	0	0	0	110.5	I463 I476 Q498 L499 F505 V520 I521 V527	I463-V481 HydrophobicContact CD1-CB 4.28Å; I463-V481 HydrophobicContact CD1-CG1 3.45Å; I463-V481 VanDerWaalsContact CD1-CG1 3.45Å; I476-V481 HydrophobicContact CD1-CG1 4.33Å; I476-V481 HydrophobicContact CD1-CG2 3.67Å; V481-Q498 VanDerWaalsContact O-CA 3.31Å; V481-Q498 WeakPolarHBondContact O-CA 3.37Å; V481-L499 HydrophobicContact CG2-CB 3.75Å; V481-L499 HydrophobicContact CG2-CD1 4.35Å; V481-L499 HydrophobicContact CG2-CG 4.42Å; V481-L499 PolarHBondContact N-O 2.91Å; V481-L499 PolarHBondContact O-N 2.84Å; V481-F505 HydrophobicContact CG1-CE1 4.32Å; V481-F505 HydrophobicContact CG2-CD1 4.26Å; V481-F505 HydrophobicContact CG2-CE1 3.94Å; V481-V520 HydrophobicContact CB-CG1 3.69Å; V481-V520 HydrophobicContact CG1-CG1 4.25Å; V481-V520 HydrophobicContact CG2-CG1 3.58Å; V481-I521 CarbonylContact C-O 3.54Å; V481-I521 VanDerWaalsContact CA-O 3.28Å; V481-I521 WeakPolarHBondContact CA-O 3.43Å; V481-I521 WeakPolarHBondContact CB-O 3Å; V481-V527 HydrophobicContact CG1-CB 4.17Å; V481-V527 HydrophobicContact CG1-CG1 3.83Å; V481-V527 HydrophobicContact CG1-CG2 3.99Å
482	R	95.7	Very high	87.2	Confident	88 Å²	88	53.7 Å²	53.7	33%	0.332	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.6	175	-56.1	-175.9	-59.6	130.1	-7.4	107.9	E495 Q498 I521 A523	R482-E495 HydrophobicContact CB-CG 4.41Å; R482-E495 WeakPolarHBondContact CD-OE2 3.46Å; R482-E495 IonicContact CZ-OE2 2.73Å; R482-E495 IonicContact NE-OE2 3.06Å; R482-E495 IonicContact NH1-OE2 2.8Å; R482-E495 PolarHBondContact NH1-OE2 2.95Å; R482-Q498 HydrophobicContact CG-CG 4.22Å; R482-I521 PolarHBondContact N-O 3.24Å; R482-I521 PolarHBondContact O-N 3.36Å; R482-A523 HydrophobicContact CG-CB 4.35Å
483	V	95	Very high	87.4	Confident	12 Å²	12	54.6 Å²	54.6	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.5	177.5	-175.1	0	0	0	0	107.5	I496 R497 L499 A518 N519 V520	V483-I496 HydrophobicContact CG1-CD1 4.44Å; V483-I496 PolarHBondContact O-N 3.08Å; V483-R497 HydrophobicContact CB-CG 3.99Å; V483-R497 HydrophobicContact CG2-CG 3.96Å; V483-R497 PolarHBondContact N-O 3.02Å; V483-R497 PolarHBondContact O-N 2.9Å; V483-L499 HydrophobicContact CG2-CD1 3.95Å; V483-L499 HydrophobicContact CG2-CG 4.19Å; V483-A518 HydrophobicContact CG1-CB 3.83Å; V483-N519 WeakPolarHBondContact CA-O 3.22Å; V483-V520 HydrophobicContact CG2-CG2 4.34Å
484	T	91.5	Very high	87.4	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.5	-178.6	76	0	0	0	0	111.3	K494 E495 A518 N519 I521	T484-K494 CarbonylContact C-O 3.53Å; T484-K494 WeakPolarHBondContact CA-O 3.38Å; T484-K494 WeakPolarHBondContact CB-O 3.41Å; T484-E495 HydrophobicContact CG2-CB 4.21Å; T484-E495 HydrophobicContact CG2-CG 4.33Å; T484-A518 WeakPolarHBondContact O-CB 3.41Å; T484-N519 PolarHBondContact N-O 2.71Å; T484-N519 PolarHBondContact O-N 3.19Å; T484-N519 PolarHBondContact O-ND2 2.83Å; T484-I521 HydrophobicContact CG2-CD1 4.21Å
485	H	87.6	Confident	87.4	Confident	39 Å²	39	64.4 Å²	64.4	18%	0.181	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.1	174.9	-179.6	39	0	0	0	109.7	E466 T493 K494 I496 R557	E466-H485 IonicContact OE1-CE1 3.46Å; E466-H485 PolarHBondContact OE1-CE1 3.27Å; E466-H485 IonicContact OE1-ND1 2.67Å; E466-H485 PolarHBondContact OE1-ND1 3.15Å; E466-H485 WeakPolarHBondContact OE2-CA 3.33Å; E466-H485 IonicContact OE2-CE1 3.63Å; E466-H485 IonicContact OE2-CG 2.89Å; E466-H485 IonicContact OE2-ND1 2.77Å; E466-H485 PolarHBondContact OE2-ND1 2.97Å; H485-T493 WeakPolarHBondContact O-CA 3.45Å; H485-K494 PolarHBondContact N-O 3.29Å; H485-K494 PolarHBondContact O-N 3.3Å; H485-I496 HydrophobicContact CB-CD1 3.46Å; H485-I496 VanDerWaalsContact CB-CD1 3.46Å; H485-I496 HydrophobicContact CB-CG1 4.19Å; H485-R557 PolarHBondContact CE1-NH1 3Å; H485-R557 PolarHBondContact NE2-NH1 3.25Å; H485-R557 PolarHBondContact NE2-NH2 3.23Å; H485-R557 VanDerWaalsContact NE2-NH2 3.16Å
486	T	80.5	Confident	87.2	Confident	45 Å²	45	66.9 Å²	66.9	28%	0.276	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.3	173.6	-54.2	0	0	0	0	110.2	E466 T490	E466-T486 PolarHBondContact OE2-N 2.87Å; T486-T490 VanDerWaalsContact CG2-O 3.23Å; T486-T490 WeakPolarHBondContact CG2-O 3.48Å
487	I	83.8	Confident	87.1	Confident	73 Å²	73	69.8 Å²	69.8	37%	0.374	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-78	128	178	-59.2	171.3	0	0	0	108.7	G489 T490 E492 K494	I487-G489 PolarHBondContact O-N 3.06Å; I487-G489 VanDerWaalsContact O-N 3.13Å; I487-T490 WeakPolarHBondContact CB-OG1 3.43Å; I487-T490 PolarHBondContact O-N 2.78Å; I487-T490 PolarHBondContact O-OG1 2.92Å; I487-E492 HydrophobicContact CD1-CB 4.36Å; I487-E492 PolarHBondContact N-O 2.93Å; I487-K494 HydrophobicContact CD1-CB 4.16Å; I487-K494 HydrophobicContact CG1-CB 3.99Å
488	D	76.1	Confident	87.2	Confident	124 Å²	124	72 Å²	72	66%	0.663	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	118.1	-178.2	-77.3	-38.1	0	0	0	112.2	R557	D488-R557 IonicContact OD1-CZ 2.68Å; D488-R557 IonicContact OD1-NH2 2.71Å; D488-R557 PolarHBondContact OD1-NH2 2.93Å; D488-R557 IonicContact OD2-CZ 3.19Å; D488-R557 IonicContact OD2-NE 3.8Å; D488-R557 IonicContact OD2-NH2 2.8Å; D488-R557 PolarHBondContact OD2-NH2 3.47Å
489	G	71.5	Confident	87.3	Confident	87 Å²	87	70.5 Å²	70.5	90%	0.897	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	7.1	178.8	0	0	0	0	0	115.9	I487	I487-G489 PolarHBondContact O-N 3.06Å; I487-G489 VanDerWaalsContact O-N 3.13Å
490	T	78.2	Confident	87.3	Confident	60 Å²	60	72 Å²	72	37%	0.368	38%	0.379	S	S	.	.	S	Bend	trans	-135.2	162	174.4	73.6	0	0	0	0	111.5	T486 I487 E492	T486-T490 VanDerWaalsContact CG2-O 3.23Å; T486-T490 WeakPolarHBondContact CG2-O 3.48Å; I487-T490 WeakPolarHBondContact CB-OG1 3.43Å; I487-T490 PolarHBondContact O-N 2.78Å; I487-T490 PolarHBondContact O-OG1 2.92Å; T490-E492 PolarHBondContact OG1-N 3.22Å
491	D	73	Confident	87	Confident	169 Å²	169	71.6 Å²	71.6	90%	0.904	38%	0.381	S	S	*	.	S	Bend	trans	-84	4.2	168.7	-65	-43.2	0	0	0	112.7
492	E	80	Confident	86.6	Confident	137 Å²	137	72.1 Å²	72.1	64%	0.64	39%	0.387	S	S	*	.			trans	-81.6	138.4	179.6	-62.8	-170.6	164.3	0	0	111.2	I487 T490	I487-E492 HydrophobicContact CD1-CB 4.36Å; I487-E492 PolarHBondContact N-O 2.93Å; T490-E492 PolarHBondContact OG1-N 3.22Å
493	T	83.3	Confident	86.4	Confident	63 Å²	63	70.2 Å²	70.2	39%	0.387	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.2	175.7	65.7	0	0	0	0	111.1	H485	H485-T493 WeakPolarHBondContact O-CA 3.45Å
494	K	88.4	Confident	86.2	Confident	142 Å²	142	70.8 Å²	70.8	62%	0.617	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.2	174.5	-175.9	-180	175.4	-172	0	109.9	T484 H485 I487	T484-K494 CarbonylContact C-O 3.53Å; T484-K494 WeakPolarHBondContact CA-O 3.38Å; T484-K494 WeakPolarHBondContact CB-O 3.41Å; H485-K494 PolarHBondContact N-O 3.29Å; H485-K494 PolarHBondContact O-N 3.3Å; I487-K494 HydrophobicContact CD1-CB 4.16Å; I487-K494 HydrophobicContact CG1-CB 3.99Å
495	E	91.1	Very high	86.2	Confident	72 Å²	72	71 Å²	71	34%	0.336	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.9	170.2	-166.6	165.9	143.4	0	0	110.5	R482 T484 Q498	R482-E495 HydrophobicContact CB-CG 4.41Å; R482-E495 WeakPolarHBondContact CD-OE2 3.46Å; R482-E495 IonicContact CZ-OE2 2.73Å; R482-E495 IonicContact NE-OE2 3.06Å; R482-E495 IonicContact NH1-OE2 2.8Å; R482-E495 PolarHBondContact NH1-OE2 2.95Å; T484-E495 HydrophobicContact CG2-CB 4.21Å; T484-E495 HydrophobicContact CG2-CG 4.33Å; E495-Q498 VanDerWaalsContact OE1-CG 3.28Å; E495-Q498 WeakPolarHBondContact OE1-CG 3.16Å; E495-Q498 PolarHBondContact OE1-NE2 2.93Å
496	I	88.3	Confident	86.2	Confident	52 Å²	52	69.9 Å²	69.9	27%	0.267	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-53	-177.2	-60.6	164.1	0	0	0	110.3	V483 H485 A518 D554	V483-I496 HydrophobicContact CG1-CD1 4.44Å; V483-I496 PolarHBondContact O-N 3.08Å; H485-I496 HydrophobicContact CB-CD1 3.46Å; H485-I496 VanDerWaalsContact CB-CD1 3.46Å; H485-I496 HydrophobicContact CB-CG1 4.19Å; I496-A518 HydrophobicContact CD1-CB 4.37Å; I496-D554 VanDerWaalsContact CG2-CG 3.5Å; I496-D554 WeakPolarHBondContact CG2-OD1 3.23Å; I496-D554 WeakPolarHBondContact CG2-OD2 3.39Å
497	R	92.3	Very high	86.3	Confident	62 Å²	62	67.9 Å²	67.9	23%	0.234	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162.6	-177.4	75.5	-171.1	100.5	-105.3	-9.3	111	V483 L499 D554	V483-R497 HydrophobicContact CB-CG 3.99Å; V483-R497 HydrophobicContact CG2-CG 3.96Å; V483-R497 PolarHBondContact N-O 3.02Å; V483-R497 PolarHBondContact O-N 2.9Å; R497-L499 HydrophobicContact CG-CD2 4.41Å; R497-D554 IonicContact CZ-OD2 3.69Å; R497-D554 VanDerWaalsContact CZ-OD2 3.23Å; R497-D554 IonicContact NH1-OD2 2.74Å; R497-D554 PolarHBondContact NH1-OD2 3.27Å; R497-D554 IonicContact NH2-OD2 3.89Å; R497-D554 PolarHBondContact NH2-OD2 3.14Å
498	Q	93.8	Very high	86	Confident	105 Å²	105	70 Å²	70	49%	0.491	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.1	166.6	-59	-170.4	-4.4	0	0	109.7	V481 R482 E495	V481-Q498 VanDerWaalsContact O-CA 3.31Å; V481-Q498 WeakPolarHBondContact O-CA 3.37Å; R482-Q498 HydrophobicContact CG-CG 4.22Å; E495-Q498 VanDerWaalsContact OE1-CG 3.28Å; E495-Q498 WeakPolarHBondContact OE1-CG 3.16Å; E495-Q498 PolarHBondContact OE1-NE2 2.93Å
499	L	94.3	Very high	85.9	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.4	174.3	-58.5	173.7	0	0	0	109.3	I476 K480 V481 V483 R497 D503 F505	I476-L499 HydrophobicContact CD1-CB 3.56Å; K480-L499 WeakPolarHBondContact CA-O 3.32Å; V481-L499 HydrophobicContact CG2-CB 3.75Å; V481-L499 HydrophobicContact CG2-CD1 4.35Å; V481-L499 HydrophobicContact CG2-CG 4.42Å; V481-L499 PolarHBondContact N-O 2.91Å; V481-L499 PolarHBondContact O-N 2.84Å; V483-L499 HydrophobicContact CG2-CD1 3.95Å; V483-L499 HydrophobicContact CG2-CG 4.19Å; R497-L499 HydrophobicContact CG-CD2 4.41Å; L499-D503 HydrophobicContact CB-CB 3.91Å; L499-D503 HydrophobicContact CD2-CB 4.23Å; L499-F505 HydrophobicContact CD1-CB 3.9Å; L499-F505 HydrophobicContact CD1-CD1 3.94Å; L499-F505 HydrophobicContact CD1-CG 4.31Å
500	T	94.4	Very high	85.8	Confident	56 Å²	56	60.1 Å²	60.1	34%	0.344	30%	0.302	S	S	.	.			trans	-136.6	178.7	-167.6	64.5	0	0	0	0	112.8	I476 K480 G502 D503	I476-T500 WeakPolarHBondContact CB-O 3.32Å; K480-T500 HydrophobicContact CD-CG2 4.27Å; K480-T500 HydrophobicContact CG-CG2 4.1Å; T500-G502 PolarHBondContact O-N 3.13Å; T500-D503 PolarHBondContact N-OD2 3.28Å; T500-D503 WeakPolarHBondContact O-CB 3.27Å; T500-D503 PolarHBondContact O-N 2.83Å; T500-D503 PolarHBondContact OG1-OD2 2.84Å
501	D	91.1	Very high	85.4	Confident	98 Å²	98	60.8 Å²	60.8	52%	0.524	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.8	119.3	173.9	-60.1	30.7	0	0	0	113.2	S478 G479	S478-D501 WeakPolarHBondContact CA-OD1 3.39Å; G479-D501 PolarHBondContact N-OD1 2.9Å; G479-D501 VanDerWaalsContact O-OD1 3.11Å
502	G	87.8	Confident	85.1	Confident	12 Å²	12	56.2 Å²	56.2	12%	0.124	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-13	-179.1	0	0	0	0	0	115.7	I476 T500	I476-G502 PolarHBondContact O-N 3.4Å; T500-G502 PolarHBondContact O-N 3.13Å
503	D	91.4	Very high	84.2	Confident	47 Å²	47	54 Å²	54	25%	0.251	28%	0.275	S	S	.	.			trans	-71.6	166.3	168.7	-73.3	-56.5	0	0	0	111.9	I476 L499 T500	I476-D503 HydrophobicContact CD1-CB 4.21Å; I476-D503 PolarHBondContact N-O 3.16Å; L499-D503 HydrophobicContact CB-CB 3.91Å; L499-D503 HydrophobicContact CD2-CB 4.23Å; T500-D503 PolarHBondContact N-OD2 3.28Å; T500-D503 WeakPolarHBondContact O-CB 3.27Å; T500-D503 PolarHBondContact O-N 2.83Å; T500-D503 PolarHBondContact OG1-OD2 2.84Å
504	W	91.8	Very high	83.4	Confident	25 Å²	25	56.7 Å²	56.7	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.3	175.8	64.7	85.7	0	0	0	111.6	V434 A436 F473 F474 I475 F547 K550	V434-W504 HydrophobicContact CG1-CE3 4.09Å; V434-W504 HydrophobicContact CG1-CZ3 4.27Å; A436-W504 HydrophobicContact CB-CE3 4.47Å; A436-W504 HydrophobicContact CB-CH2 3.42Å; A436-W504 VanDerWaalsContact CB-CH2 3.42Å; A436-W504 HydrophobicContact CB-CZ2 3.78Å; A436-W504 HydrophobicContact CB-CZ3 3.82Å; F473-W504 HydrophobicContact CE2-CB 3.78Å; F473-W504 AromaticContact CE2-CD1 3.65Å; F473-W504 AromaticContact CE2-CG 3.93Å; F473-W504 HydrophobicContact CE2-CG 3.93Å; F473-W504 HydrophobicContact CZ-CB 3.61Å; F473-W504 AromaticContact CZ-CG 3.91Å; F473-W504 HydrophobicContact CZ-CG 3.91Å; F474-W504 CarbonylContact O-C 3.6Å; F474-W504 WeakPolarHBondContact O-CA 3.38Å; F474-W504 VanDerWaalsContact O-CB 3.32Å; F474-W504 WeakPolarHBondContact O-CB 3.19Å; I475-W504 HydrophobicContact CG1-CB 4.48Å; W504-F547 AromaticContact CD1-CD1 3.82Å; W504-F547 AromaticContact CD1-CE1 3.8Å; W504-F547 HydrophobicContact CD2-CD1 4.28Å; W504-F547 AromaticContact CD2-CE1 3.71Å; W504-F547 HydrophobicContact CD2-CE1 3.71Å; W504-F547 AromaticContact CE2-CD1 3.63Å; W504-F547 AromaticContact CE2-CE1 3.49Å; W504-F547 VanDerWaalsContact CE2-CE1 3.49Å; W504-F547 HydrophobicContact CE3-CE1 4.41Å; W504-F547 HydrophobicContact CG-CD1 4.35Å; W504-F547 AromaticContact CG-CE1 3.87Å; W504-F547 HydrophobicContact CG-CE1 3.87Å; W504-F547 HydrophobicContact CZ2-CD1 4.07Å; W504-F547 AromaticContact CZ2-CE1 3.98Å; W504-F547 HydrophobicContact CZ2-CE1 3.98Å; W504-F547 AromaticContact NE1-CD1 3.33Å; W504-F547 VanDerWaalsContact NE1-CD1 3.33Å; W504-F547 AromaticContact NE1-CE1 3.56Å; W504-K550 VanDerWaalsContact CE2-NZ 3.31Å; W504-K550 HydrophobicContact CZ2-CD 3.68Å; W504-K550 VanDerWaalsContact NE1-CD 3.35Å; W504-K550 PolarHBondContact O-NZ 2.85Å
505	F	91.9	Very high	82.8	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	166.8	176.8	58.1	-93.8	0	0	0	112.6	I463 I464 F474 I476 V481 L499 E507 V520 L529	I463-F505 HydrophobicContact CD1-CZ 4.39Å; I463-F505 HydrophobicContact CG2-CE2 3.82Å; I463-F505 HydrophobicContact CG2-CZ 3.9Å; I464-F505 HydrophobicContact CD1-CD2 3.65Å; I464-F505 HydrophobicContact CD1-CE2 3.86Å; I464-F505 HydrophobicContact CG1-CE2 4.4Å; F474-F505 HydrophobicContact CB-CD1 4.44Å; F474-F505 HydrophobicContact CB-CD2 4.01Å; F474-F505 HydrophobicContact CB-CE1 4.01Å; F474-F505 HydrophobicContact CB-CE2 3.56Å; F474-F505 HydrophobicContact CB-CG 4.44Å; F474-F505 HydrophobicContact CB-CZ 3.55Å; F474-F505 AromaticContact CD2-CD2 3.95Å; F474-F505 HydrophobicContact CD2-CD2 3.95Å; F474-F505 AromaticContact CD2-CE2 3.44Å; F474-F505 HydrophobicContact CD2-CE2 3.44Å; F474-F505 VanDerWaalsContact CD2-CE2 3.44Å; F474-F505 HydrophobicContact CD2-CZ 4.2Å; F474-F505 HydrophobicContact CE2-CE2 4.29Å; F474-F505 HydrophobicContact CG-CD2 4.38Å; F474-F505 AromaticContact CG-CE2 3.69Å; F474-F505 HydrophobicContact CG-CE2 3.69Å; F474-F505 AromaticContact CG-CZ 3.98Å; F474-F505 HydrophobicContact CG-CZ 3.98Å; F474-F505 PolarHBondContact N-O 3.41Å; F474-F505 PolarHBondContact O-N 3.02Å; I476-F505 HydrophobicContact CD1-CD1 4.24Å; I476-F505 HydrophobicContact CD1-CE1 3.99Å; I476-F505 HydrophobicContact CG1-CD1 4.22Å; I476-F505 HydrophobicContact CG1-CE1 3.76Å; V481-F505 HydrophobicContact CG1-CE1 4.32Å; V481-F505 HydrophobicContact CG2-CD1 4.26Å; V481-F505 HydrophobicContact CG2-CE1 3.94Å; L499-F505 HydrophobicContact CD1-CB 3.9Å; L499-F505 HydrophobicContact CD1-CD1 3.94Å; L499-F505 HydrophobicContact CD1-CG 4.31Å; F505-E507 WeakPolarHBondContact CA-OE2 3.47Å; F505-V520 HydrophobicContact CD1-CG1 4.38Å; F505-V520 HydrophobicContact CD2-CB 4.31Å; F505-V520 HydrophobicContact CD2-CG1 4.06Å; F505-V520 HydrophobicContact CD2-CG2 3.95Å; F505-V520 HydrophobicContact CE1-CG1 4.11Å; F505-V520 HydrophobicContact CE2-CB 4.12Å; F505-V520 HydrophobicContact CE2-CG1 3.75Å; F505-V520 HydrophobicContact CE2-CG2 4.26Å; F505-V520 HydrophobicContact CG-CG1 4.35Å; F505-V520 HydrophobicContact CG-CG2 4.44Å; F505-V520 HydrophobicContact CZ-CG1 3.78Å; F505-L529 HydrophobicContact CE1-CD2 4.08Å; F505-L529 HydrophobicContact CZ-CD1 3.96Å; F505-L529 HydrophobicContact CZ-CD2 4.11Å
506	G	86.5	Confident	82.5	Confident	15 Å²	15	53.8 Å²	53.8	16%	0.155	27%	0.269	C	S	.	.			trans	91.8	-2.2	174.7	0	0	0	0	0	114.9	R516	G506-R516 PolarHBondContact O-NH1 2.65Å
507	E	84	Confident	82.3	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-37.2	-177.4	71	-49.5	119.6	0	0	114.4	F473 F505 A509 L510 Y511 F537 F547 Y552	F473-E507 HydrophobicContact CD2-CB 3.82Å; F473-E507 HydrophobicContact CE2-CB 3.93Å; F505-E507 WeakPolarHBondContact CA-OE2 3.47Å; E507-A509 PolarHBondContact O-N 2.99Å; E507-L510 WeakPolarHBondContact O-CB 3.31Å; E507-L510 PolarHBondContact O-N 3.04Å; E507-Y511 HydrophobicContact CB-CE2 4.27Å; E507-Y511 HydrophobicContact CG-CE2 4.32Å; E507-Y511 WeakPolarHBondContact O-CD2 3.26Å; E507-Y511 PolarHBondContact O-N 2.89Å; E507-F537 HydrophobicContact CB-CE1 4.15Å; E507-F537 HydrophobicContact CB-CE2 3.99Å; E507-F537 HydrophobicContact CB-CZ 3.52Å; E507-F547 HydrophobicContact CG-CB 4.42Å; E507-Y552 PolarHBondContact OE1-OH 3.5Å; E507-Y552 PolarHBondContact OE2-OH 2.86Å
508	R	77.5	Confident	82.1	Confident	117 Å²	117	52.8 Å²	52.8	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-47.9	-54.2	-177.2	-56.2	-174.4	61.5	98.6	-2	113.6	L510 Y511 T512 Y552	R508-L510 PolarHBondContact O-N 2.94Å; R508-Y511 PolarHBondContact O-N 3.23Å; R508-Y511 VanDerWaalsContact O-N 3.11Å; R508-T512 PolarHBondContact O-N 2.82Å; R508-T512 PolarHBondContact O-OG1 3.33Å; R508-Y552 HydrophobicContact CG-CE2 4.3Å
509	A	73.6	Confident	82	Confident	5 Å²	5	48.3 Å²	48.3	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-23.7	-176.8	0	0	0	0	0	113.3	E507 Y511 C513 E514 R534	E507-A509 PolarHBondContact O-N 2.99Å; A509-Y511 VanDerWaalsContact C-N 3.33Å; A509-C513 WeakPolarHBondContact O-CA 3.45Å; A509-C513 PolarHBondContact O-N 3.2Å; A509-E514 WeakPolarHBondContact CB-O 3.48Å; A509-R534 PolarHBondContact O-NH1 3.03Å; A509-R534 PolarHBondContact O-NH2 2.69Å
510	L	69.6	Low	82	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-77.3	-20.4	178.5	-49	179.9	0	0	0	112.5	G470 F473 E507 R508 R534 F537 I538	G470-L510 VanDerWaalsContact O-CD2 3.32Å; G470-L510 WeakPolarHBondContact O-CD2 3.27Å; F473-L510 HydrophobicContact CB-CD1 3.56Å; E507-L510 WeakPolarHBondContact O-CB 3.31Å; E507-L510 PolarHBondContact O-N 3.04Å; R508-L510 PolarHBondContact O-N 2.94Å; L510-R534 VanDerWaalsContact C-NH2 3.31Å; L510-R534 HydrophobicContact CB-CG 4.4Å; L510-R534 HydrophobicContact CD2-CB 3.93Å; L510-R534 HydrophobicContact CD2-CG 3.95Å; L510-R534 PolarHBondContact O-NH2 3.12Å; L510-F537 HydrophobicContact CB-CD1 3.67Å; L510-F537 HydrophobicContact CB-CE1 4.04Å; L510-F537 HydrophobicContact CD1-CB 3.84Å; L510-F537 HydrophobicContact CD1-CD1 3.49Å; L510-F537 VanDerWaalsContact CD1-CD1 3.49Å; L510-F537 HydrophobicContact CD1-CD2 4.21Å; L510-F537 HydrophobicContact CD1-CE1 4.16Å; L510-F537 HydrophobicContact CD1-CG 3.54Å; L510-F537 HydrophobicContact CG-CD1 4.23Å; L510-I538 WeakPolarHBondContact O-CD1 3.25Å
511	Y	69.9	Low	82	Confident	73 Å²	73	45.8 Å²	45.8	29%	0.286	24%	0.242	S	C	.	.	H	α-helix	trans	-82.8	-44.8	171.9	-67.5	-58.5	0	0	0	112.6	E507 R508 A509 F537 G542 F547 K548	E507-Y511 HydrophobicContact CB-CE2 4.27Å; E507-Y511 HydrophobicContact CG-CE2 4.32Å; E507-Y511 WeakPolarHBondContact O-CD2 3.26Å; E507-Y511 PolarHBondContact O-N 2.89Å; R508-Y511 PolarHBondContact O-N 3.23Å; R508-Y511 VanDerWaalsContact O-N 3.11Å; A509-Y511 VanDerWaalsContact C-N 3.33Å; Y511-F537 AromaticContact CE1-CE1 3.94Å; Y511-F537 HydrophobicContact CE1-CE1 3.94Å; Y511-F537 HydrophobicContact CE2-CE1 4.03Å; Y511-F537 HydrophobicContact CE2-CZ 4.12Å; Y511-F537 AromaticContact CZ-CE1 3.65Å; Y511-F537 AromaticContact CZ-CZ 3.82Å; Y511-G542 WeakPolarHBondContact CE1-O 3.43Å; Y511-G542 PolarHBondContact OH-O 3.07Å; Y511-F547 HydrophobicContact CE2-CB 4.44Å; Y511-F547 WeakPolarHBondContact OH-CB 3.31Å; Y511-K548 HydrophobicContact CE1-CG 4.4Å; Y511-K548 HydrophobicContact CE2-CG 4.23Å
512	T	66.4	Low	82.3	Confident	73 Å²	73	41.2 Å²	41.2	45%	0.448	22%	0.217	S	C	.	.	H	α-helix	trans	-99.2	-9.6	-167.6	54.6	0	0	0	0	115.1	R508 E514	R508-T512 PolarHBondContact O-N 2.82Å; R508-T512 PolarHBondContact O-OG1 3.33Å; T512-E514 VanDerWaalsContact CB-CD 3.48Å; T512-E514 WeakPolarHBondContact CB-OE2 3.46Å; T512-E514 PolarHBondContact O-N 3.02Å; T512-E514 WeakPolarHBondContact OG1-CB 3.47Å; T512-E514 VanDerWaalsContact OG1-CD 3.23Å; T512-E514 VanDerWaalsContact OG1-CG 3.29Å; T512-E514 WeakPolarHBondContact OG1-CG 3.36Å; T512-E514 PolarHBondContact OG1-N 3.45Å; T512-E514 PolarHBondContact OG1-OE2 2.92Å
513	C	59.8	Low	82.6	Confident	91 Å²	91	41.2 Å²	41.2	62%	0.615	22%	0.216	S	C	*	.			trans	64.1	14.7	-167.9	-59.2	0	0	0	0	113.5	A509 R534	A509-C513 WeakPolarHBondContact O-CA 3.45Å; A509-C513 PolarHBondContact O-N 3.2Å; C513-R534 VanDerWaalsContact N-NH2 3.19Å; C513-R534 PolarHBondContact SG-NH2 2.68Å
514	E	68.1	Low	82.5	Confident	120 Å²	120	48 Å²	48	56%	0.561	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-80.9	168.2	-178.9	-68.5	167.6	148	0	0	112.5	A509 T512	A509-E514 WeakPolarHBondContact CB-O 3.48Å; T512-E514 VanDerWaalsContact CB-CD 3.48Å; T512-E514 WeakPolarHBondContact CB-OE2 3.46Å; T512-E514 PolarHBondContact O-N 3.02Å; T512-E514 WeakPolarHBondContact OG1-CB 3.47Å; T512-E514 VanDerWaalsContact OG1-CD 3.23Å; T512-E514 VanDerWaalsContact OG1-CG 3.29Å; T512-E514 WeakPolarHBondContact OG1-CG 3.36Å; T512-E514 PolarHBondContact OG1-N 3.45Å; T512-E514 PolarHBondContact OG1-OE2 2.92Å
515	K	75.9	Confident	82.4	Confident	135 Å²	135	50.2 Å²	50.2	59%	0.587	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-68.4	153.7	170.5	-70.8	174.2	160.6	-158.9	0	111.3	G467 E468 L469 S517	G467-K515 WeakPolarHBondContact O-CD 3.36Å; G467-K515 VanDerWaalsContact O-CE 3.25Å; G467-K515 WeakPolarHBondContact O-CE 3.35Å; G467-K515 WeakPolarHBondContact O-CG 3.34Å; G467-K515 PolarHBondContact O-NZ 3.1Å; E468-K515 CarbonylContact O-C 3.53Å; E468-K515 WeakPolarHBondContact O-CA 3.32Å; E468-K515 WeakPolarHBondContact O-CB 3.33Å; L469-K515 HydrophobicContact CD2-CG 4.13Å; K515-S517 PolarHBondContact O-N 3.4Å
516	R	83.9	Confident	82.5	Confident	18 Å²	18	50 Å²	50	7%	0.068	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61	129.8	174.1	-59.9	-72	-154.4	-168.1	4.2	109.9	I464 R465 G467 E468 T472 G506	I464-R516 HydrophobicContact CG2-CB 3.75Å; I464-R516 HydrophobicContact CG2-CG 3.64Å; R465-R516 WeakPolarHBondContact O-CB 3.24Å; G467-R516 PolarHBondContact N-O 2.83Å; E468-R516 HydrophobicContact CG-CB 4.27Å; E468-R516 HydrophobicContact CG-CG 3.56Å; E468-R516 PolarHBondContact O-N 2.79Å; E468-R516 IonicContact OE1-NE 3.23Å; T472-R516 PolarHBondContact O-NH1 3.22Å; T472-R516 PolarHBondContact O-NH2 3.06Å; G506-R516 PolarHBondContact O-NH1 2.65Å
517	S	83.9	Confident	83	Confident	79 Å²	79	49.3 Å²	49.3	55%	0.552	27%	0.27	S	S	*	.	S	Bend	trans	-91.5	-0.2	-173.2	63.4	0	0	0	0	115	K515	K515-S517 PolarHBondContact O-N 3.4Å
518	A	88.8	Confident	83.4	Confident	14 Å²	14	53.5 Å²	53.5	12%	0.116	29%	0.289	C	S	.	.	S	Bend	trans	-161.6	158.1	179.7	0	0	0	0	0	109.1	I464 V483 T484 I496	I464-A518 WeakPolarHBondContact CG2-O 3.46Å; V483-A518 HydrophobicContact CG1-CB 3.83Å; T484-A518 WeakPolarHBondContact O-CB 3.41Å; I496-A518 HydrophobicContact CD1-CB 4.37Å
519	N	91.5	Very high	84.2	Confident	11 Å²	11	48 Å²	48	6%	0.059	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	150.6	167.2	-53.9	-78	0	0	0	110.2	Y462 I464 E466 V483 T484 I521	Y462-N519 HydrophobicContact CD1-CB 4.09Å; Y462-N519 HydrophobicContact CE1-CB 3.88Å; I464-N519 CarbonylContact O-C 3.43Å; I464-N519 WeakPolarHBondContact O-CA 3.38Å; E466-N519 PolarHBondContact N-OD1 2.88Å; V483-N519 WeakPolarHBondContact CA-O 3.22Å; T484-N519 PolarHBondContact N-O 2.71Å; T484-N519 PolarHBondContact O-N 3.19Å; T484-N519 PolarHBondContact O-ND2 2.83Å; N519-I521 HydrophobicContact CB-CD1 4.49Å; N519-I521 HydrophobicContact CB-CG1 4.33Å
520	V	94.9	Very high	84.9	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.3	167.5	-172.2	0	0	0	0	108.2	I463 I464 V481 V483 F505	I463-V520 HydrophobicContact CD1-CG1 4.2Å; I463-V520 PolarHBondContact N-O 3.02Å; I464-V520 HydrophobicContact CB-CB 4.01Å; I464-V520 HydrophobicContact CB-CG2 4.02Å; I464-V520 HydrophobicContact CD1-CG2 4.18Å; I464-V520 HydrophobicContact CG2-CG2 4.46Å; I464-V520 PolarHBondContact N-O 3.3Å; I464-V520 PolarHBondContact O-N 2.8Å; V481-V520 HydrophobicContact CB-CG1 3.69Å; V481-V520 HydrophobicContact CG1-CG1 4.25Å; V481-V520 HydrophobicContact CG2-CG1 3.58Å; V483-V520 HydrophobicContact CG2-CG2 4.34Å; F505-V520 HydrophobicContact CD1-CG1 4.38Å; F505-V520 HydrophobicContact CD2-CB 4.31Å; F505-V520 HydrophobicContact CD2-CG1 4.06Å; F505-V520 HydrophobicContact CD2-CG2 3.95Å; F505-V520 HydrophobicContact CE1-CG1 4.11Å; F505-V520 HydrophobicContact CE2-CB 4.12Å; F505-V520 HydrophobicContact CE2-CG1 3.75Å; F505-V520 HydrophobicContact CE2-CG2 4.26Å; F505-V520 HydrophobicContact CG-CG1 4.35Å; F505-V520 HydrophobicContact CG-CG2 4.44Å; F505-V520 HydrophobicContact CZ-CG1 3.78Å
521	I	94.6	Very high	85.8	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.6	-168.3	-51	174.2	0	0	0	109.2	G460 E461 Y462 V481 R482 T484 N519	G460-I521 WeakPolarHBondContact O-CG2 3.42Å; E461-I521 CarbonylContact O-C 3.47Å; E461-I521 WeakPolarHBondContact O-CA 3.32Å; E461-I521 WeakPolarHBondContact O-CG2 3.32Å; Y462-I521 HydrophobicContact CD1-CD1 4.21Å; Y462-I521 HydrophobicContact CD1-CG1 3.85Å; Y462-I521 HydrophobicContact CD2-CG1 4.4Å; Y462-I521 HydrophobicContact CE1-CD1 3.63Å; Y462-I521 HydrophobicContact CE1-CG1 3.81Å; Y462-I521 HydrophobicContact CE2-CD1 4.07Å; Y462-I521 HydrophobicContact CE2-CG1 4.34Å; Y462-I521 HydrophobicContact CG-CG1 4.16Å; V481-I521 CarbonylContact C-O 3.54Å; V481-I521 VanDerWaalsContact CA-O 3.28Å; V481-I521 WeakPolarHBondContact CA-O 3.43Å; V481-I521 WeakPolarHBondContact CB-O 3Å; R482-I521 PolarHBondContact N-O 3.24Å; R482-I521 PolarHBondContact O-N 3.36Å; T484-I521 HydrophobicContact CG2-CD1 4.21Å; N519-I521 HydrophobicContact CB-CD1 4.49Å; N519-I521 HydrophobicContact CB-CG1 4.33Å
522	S	96.4	Very high	86.3	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.5	174.5	-172.1	0	0	0	0	111.1	Y457 E458 G460 E461 G526 V527	Y457-S522 PolarHBondContact O-OG 3.1Å; E458-S522 WeakPolarHBondContact O-CB 3.17Å; E458-S522 PolarHBondContact O-OG 2.9Å; G460-S522 WeakPolarHBondContact CA-O 3.48Å; G460-S522 PolarHBondContact N-O 2.8Å; E461-S522 PolarHBondContact O-N 3.03Å; S522-G526 WeakPolarHBondContact OG-CA 3.5Å; S522-V527 PolarHBondContact OG-N 2.78Å
523	A	94.5	Very high	86.7	Confident	12 Å²	12	44.2 Å²	44.2	10%	0.099	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-178.2	179.9	0	0	0	0	0	112.4	P459 K480 R482 G525 G526	P459-A523 WeakPolarHBondContact CA-O 3.47Å; K480-A523 HydrophobicContact CB-CB 3.86Å; K480-A523 WeakPolarHBondContact O-CB 3.39Å; K480-A523 PolarHBondContact O-N 3.32Å; R482-A523 HydrophobicContact CG-CB 4.35Å; A523-G525 PolarHBondContact O-N 2.77Å; A523-G526 PolarHBondContact O-N 2.99Å; A523-G526 VanDerWaalsContact O-N 3.11Å
524	E	89.5	Confident	87.4	Confident	191 Å²	191	42.1 Å²	42.1	89%	0.893	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	135.7	172.1	-66.6	-177.2	175.5	0	0	111.4
525	G	89.5	Confident	87.2	Confident	71 Å²	71	40.5 Å²	40.5	73%	0.732	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	89.3	-8.9	-172.7	0	0	0	0	0	115.1	A523	A523-G525 PolarHBondContact O-N 2.77Å
526	G	93.5	Very high	86.8	Confident	4 Å²	4	34.5 Å²	34.5	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.3	179.9	-178.6	0	0	0	0	0	112.6	Y457 S522 A523	Y457-G526 VanDerWaalsContact O-CA 3.29Å; Y457-G526 WeakPolarHBondContact O-CA 3.38Å; S522-G526 WeakPolarHBondContact OG-CA 3.5Å; A523-G526 PolarHBondContact O-N 2.99Å; A523-G526 VanDerWaalsContact O-N 3.11Å
527	V	96.3	Very high	86.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	135	176.4	70.6	0	0	0	0	112.1	F456 Y457 I463 I476 S478 V481 S522 L529	F456-V527 WeakPolarHBondContact CA-O 3.41Å; F456-V527 WeakPolarHBondContact CD2-O 3.3Å; Y457-V527 PolarHBondContact N-O 2.85Å; Y457-V527 PolarHBondContact O-N 3.26Å; I463-V527 HydrophobicContact CD1-CG1 3.82Å; I476-V527 HydrophobicContact CG2-CG2 3.82Å; S478-V527 WeakPolarHBondContact O-CG2 3.46Å; V481-V527 HydrophobicContact CG1-CB 4.17Å; V481-V527 HydrophobicContact CG1-CG1 3.83Å; V481-V527 HydrophobicContact CG1-CG2 3.99Å; S522-V527 PolarHBondContact OG-N 2.78Å; V527-L529 HydrophobicContact CG1-CD1 4.39Å; V527-L529 HydrophobicContact CG1-CD2 4.12Å; V527-L529 HydrophobicContact CG1-CG 4.1Å; V527-L529 HydrophobicContact CG2-CD2 3.67Å; V527-L529 HydrophobicContact CG2-CG 4.33Å
528	H	94.1	Very high	86	Confident	90 Å²	90	33.7 Å²	33.7	42%	0.417	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.4	165.9	-64.5	-81.3	0	0	0	109.6	V455 F456 K477 S478	V455-H528 WeakPolarHBondContact O-CA 3.35Å; F456-H528 AromaticContact CD2-CD2 3.94Å; F456-H528 AromaticContact CD2-CE1 3.32Å; F456-H528 WeakPolarHBondContact CD2-CE1 3.5Å; F456-H528 AromaticContact CD2-CG 3.86Å; F456-H528 AromaticContact CD2-ND1 3.47Å; F456-H528 WeakPolarHBondContact CD2-ND1 3.12Å; F456-H528 AromaticContact CD2-NE2 3.64Å; F456-H528 AromaticContact CE2-CE1 3.93Å; F456-H528 AromaticContact CE2-NE2 3.84Å; F456-H528 AromaticContact CG-CE1 3.91Å; K477-H528 WeakPolarHBondContact CA-O 3.42Å; K477-H528 HydrophobicContact CB-CB 4.33Å; K477-H528 WeakPolarHBondContact CB-O 3.36Å; K477-H528 PolarHBondContact N-O 2.82Å; S478-H528 PolarHBondContact N-O 2.88Å; S478-H528 PolarHBondContact O-N 3.22Å; S478-H528 PolarHBondContact OG-CD2 2.92Å
529	L	92.9	Very high	84.9	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.3	179.1	-55.1	177.4	0	0	0	110.1	P454 V455 Y457 I463 F474 I475 I476 F505 V527	P454-L529 WeakPolarHBondContact CA-O 3.15Å; V455-L529 PolarHBondContact N-O 3.39Å; V455-L529 PolarHBondContact O-N 3.1Å; Y457-L529 HydrophobicContact CD2-CD1 3.78Å; Y457-L529 HydrophobicContact CE2-CD1 3.81Å; I463-L529 HydrophobicContact CD1-CD1 4.23Å; I463-L529 HydrophobicContact CG1-CD1 4.23Å; I463-L529 HydrophobicContact CG2-CD1 3.59Å; F474-L529 HydrophobicContact CB-CD1 4.34Å; F474-L529 HydrophobicContact CD1-CB 4.25Å; F474-L529 HydrophobicContact CD1-CD1 3.69Å; F474-L529 HydrophobicContact CE1-CD1 4.25Å; F474-L529 HydrophobicContact CG-CD1 4.2Å; I475-L529 CarbonylContact O-C 3.58Å; I475-L529 VanDerWaalsContact O-CA 3.29Å; I475-L529 WeakPolarHBondContact O-CA 3.17Å; I476-L529 HydrophobicContact CB-CD2 4.28Å; I476-L529 HydrophobicContact CG1-CD2 3.79Å; F505-L529 HydrophobicContact CE1-CD2 4.08Å; F505-L529 HydrophobicContact CZ-CD1 3.96Å; F505-L529 HydrophobicContact CZ-CD2 4.11Å; V527-L529 HydrophobicContact CG1-CD1 4.39Å; V527-L529 HydrophobicContact CG1-CD2 4.12Å; V527-L529 HydrophobicContact CG1-CG 4.1Å; V527-L529 HydrophobicContact CG2-CD2 3.67Å; V527-L529 HydrophobicContact CG2-CG 4.33Å
530	L	89.8	Confident	83.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.5	156.4	-61.4	-177	0	0	0	107.9	F430 L452 E453 P454 F474 I475 K477	F430-L530 HydrophobicContact CD1-CD1 3.51Å; F430-L530 HydrophobicContact CE1-CD1 3.66Å; F430-L530 HydrophobicContact CE1-CG 4.38Å; L452-L530 HydrophobicContact CB-CB 4.25Å; L452-L530 HydrophobicContact CB-CD1 4.42Å; L452-L530 HydrophobicContact CD1-CB 4.37Å; L452-L530 HydrophobicContact CD1-CD1 3.92Å; L452-L530 HydrophobicContact CD2-CB 4.04Å; L452-L530 HydrophobicContact CG-CB 4.45Å; E453-L530 CarbonylContact O-C 3.53Å; E453-L530 WeakPolarHBondContact O-CA 3.48Å; P454-L530 HydrophobicContact CB-CD2 4.14Å; F474-L530 WeakPolarHBondContact CA-O 3.43Å; I475-L530 HydrophobicContact CB-CB 4.5Å; I475-L530 PolarHBondContact N-O 3.16Å; I475-L530 PolarHBondContact O-N 3.06Å; K477-L530 HydrophobicContact CB-CG 4.39Å; K477-L530 HydrophobicContact CD-CD2 4.31Å
531	S	87.7	Confident	83.1	Confident	10 Å²	10	34.8 Å²	34.8	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	150.6	177.6	52.1	0	0	0	0	112.4	E453 V455 F473	E453-S531 PolarHBondContact N-O 3.32Å; E453-S531 VanDerWaalsContact N-O 3.08Å; E453-S531 PolarHBondContact O-N 3.33Å; E453-S531 PolarHBondContact O-OG 3.43Å; V455-S531 VanDerWaalsContact CG2-OG 3.24Å; V455-S531 WeakPolarHBondContact CG2-OG 3.21Å; F473-S531 CarbonylContact O-C 3.52Å; F473-S531 WeakPolarHBondContact O-CA 3.47Å
532	L	81.4	Confident	81.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	125.3	177.1	-170.2	66.5	0	0	0	108.6	L448 V451 L452 F473 N536 F537 I541	L448-L532 HydrophobicContact CD1-CD1 4.23Å; L448-L532 HydrophobicContact CD1-CD2 3.71Å; V451-L532 HydrophobicContact CB-CD1 4.32Å; V451-L532 HydrophobicContact CG2-CD1 3.36Å; L452-L532 HydrophobicContact CD2-CB 3.94Å; L452-L532 HydrophobicContact CD2-CD1 4.17Å; L452-L532 HydrophobicContact CD2-CG 4.5Å; F473-L532 HydrophobicContact CB-CB 4.26Å; F473-L532 HydrophobicContact CD1-CB 4.1Å; F473-L532 HydrophobicContact CD1-CD2 4.21Å; F473-L532 PolarHBondContact N-O 2.73Å; F473-L532 PolarHBondContact O-N 3.32Å; L532-N536 HydrophobicContact CD1-CB 3.58Å; L532-N536 HydrophobicContact CG-CB 4.01Å; L532-F537 HydrophobicContact CD2-CB 3.97Å; L532-F537 HydrophobicContact CD2-CD2 4.31Å; L532-F537 HydrophobicContact CG-CB 4.26Å; L532-I541 HydrophobicContact CD2-CD1 3.85Å; L532-I541 HydrophobicContact CD2-CG1 4.21Å
533	D	74.4	Confident	80.7	Confident	59 Å²	59	36.9 Å²	36.9	32%	0.316	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	163.4	177.4	72.5	83.2	0	0	0	112.2	E471 S535 N536 F537	E471-D533 CarbonylContact O-C 3.57Å; D533-S535 VanDerWaalsContact C-N 3.3Å; D533-S535 PolarHBondContact O-N 2.79Å; D533-S535 VanDerWaalsContact OD1-CA 3.29Å; D533-S535 WeakPolarHBondContact OD1-CA 3.33Å; D533-S535 WeakPolarHBondContact OD1-CB 3.07Å; D533-S535 PolarHBondContact OD1-N 3Å; D533-N536 PolarHBondContact O-N 2.8Å; D533-N536 PolarHBondContact OD1-N 3.22Å; D533-N536 WeakPolarHBondContact OD2-CB 3.42Å; D533-N536 PolarHBondContact OD2-ND2 3.24Å; D533-F537 VanDerWaalsContact O-CB 3.31Å; D533-F537 WeakPolarHBondContact O-CB 3.38Å; D533-F537 PolarHBondContact O-N 3.42Å
534	R	72.9	Confident	79.5	Confident	48 Å²	48	38 Å²	38	18%	0.181	21%	0.213	C	C	.	.	H	α-helix	trans	-52.6	-44.1	-180	-175.8	175.6	-172.1	107.1	14.6	113.5	G470 E471 A509 L510 C513 I538	G470-R534 PolarHBondContact O-NH1 3.28Å; E471-R534 WeakPolarHBondContact O-CB 3.46Å; E471-R534 PolarHBondContact O-N 3.35Å; A509-R534 PolarHBondContact O-NH1 3.03Å; A509-R534 PolarHBondContact O-NH2 2.69Å; L510-R534 VanDerWaalsContact C-NH2 3.31Å; L510-R534 HydrophobicContact CB-CG 4.4Å; L510-R534 HydrophobicContact CD2-CB 3.93Å; L510-R534 HydrophobicContact CD2-CG 3.95Å; L510-R534 PolarHBondContact O-NH2 3.12Å; C513-R534 VanDerWaalsContact N-NH2 3.19Å; C513-R534 PolarHBondContact SG-NH2 2.68Å; R534-I538 HydrophobicContact CG-CD1 3.7Å; R534-I538 HydrophobicContact CG-CG1 4.42Å; R534-I538 WeakPolarHBondContact O-CB 3.39Å; R534-I538 WeakPolarHBondContact O-CD1 3.1Å; R534-I538 WeakPolarHBondContact O-CG1 3.48Å; R534-I538 PolarHBondContact O-N 2.88Å
535	S	64.4	Low	78.3	Confident	86 Å²	86	34.7 Å²	34.7	60%	0.601	20%	0.201	S	C	*	.	H	α-helix	trans	-67.4	-48.9	-176.4	-55.1	0	0	0	0	109.5	D533 Y539	D533-S535 VanDerWaalsContact C-N 3.3Å; D533-S535 PolarHBondContact O-N 2.79Å; D533-S535 VanDerWaalsContact OD1-CA 3.29Å; D533-S535 WeakPolarHBondContact OD1-CA 3.33Å; D533-S535 WeakPolarHBondContact OD1-CB 3.07Å; D533-S535 PolarHBondContact OD1-N 3Å; S535-Y539 WeakPolarHBondContact O-CB 3.47Å; S535-Y539 PolarHBondContact O-N 2.9Å
536	N	68.3	Low	77.4	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-35.9	177.4	-78.9	-47.8	0	0	0	112.8	V451 L532 D533 Y539 L540	V451-N536 HydrophobicContact CG2-CB 4.43Å; L532-N536 HydrophobicContact CD1-CB 3.58Å; L532-N536 HydrophobicContact CG-CB 4.01Å; D533-N536 PolarHBondContact O-N 2.8Å; D533-N536 PolarHBondContact OD1-N 3.22Å; D533-N536 WeakPolarHBondContact OD2-CB 3.42Å; D533-N536 PolarHBondContact OD2-ND2 3.24Å; N536-Y539 PolarHBondContact O-N 3.43Å; N536-L540 HydrophobicContact CB-CD1 4.5Å; N536-L540 WeakPolarHBondContact O-CB 3.49Å; N536-L540 WeakPolarHBondContact O-CG 3.36Å; N536-L540 PolarHBondContact O-N 2.94Å
537	F	77.9	Confident	76.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-60.5	175.5	174.2	-95	0	0	0	112.4	F473 E507 L510 Y511 L532 D533 Y539 I541 G542 F547	F473-F537 HydrophobicContact CB-CB 4.17Å; F473-F537 HydrophobicContact CB-CD2 3.55Å; F473-F537 HydrophobicContact CB-CE2 4.27Å; F473-F537 HydrophobicContact CB-CG 3.97Å; F473-F537 AromaticContact CD1-CD2 3.63Å; F473-F537 HydrophobicContact CD1-CD2 3.63Å; F473-F537 HydrophobicContact CD1-CE2 4.04Å; F473-F537 AromaticContact CD2-CD2 3.72Å; F473-F537 HydrophobicContact CD2-CD2 3.72Å; F473-F537 AromaticContact CD2-CE2 3.54Å; F473-F537 HydrophobicContact CD2-CE2 3.54Å; F473-F537 HydrophobicContact CD2-CZ 4.42Å; F473-F537 HydrophobicContact CE1-CD2 4.15Å; F473-F537 HydrophobicContact CE1-CE2 4.18Å; F473-F537 HydrophobicContact CE2-CD2 4.23Å; F473-F537 AromaticContact CE2-CE2 3.7Å; F473-F537 HydrophobicContact CE2-CE2 3.7Å; F473-F537 AromaticContact CG-CD2 3.36Å; F473-F537 HydrophobicContact CG-CD2 3.36Å; F473-F537 AromaticContact CG-CE2 3.71Å; F473-F537 HydrophobicContact CG-CE2 3.71Å; F473-F537 HydrophobicContact CG-CG 4.27Å; F473-F537 HydrophobicContact CZ-CD2 4.43Å; F473-F537 HydrophobicContact CZ-CE2 4.02Å; E507-F537 HydrophobicContact CB-CE1 4.15Å; E507-F537 HydrophobicContact CB-CE2 3.99Å; E507-F537 HydrophobicContact CB-CZ 3.52Å; L510-F537 HydrophobicContact CB-CD1 3.67Å; L510-F537 HydrophobicContact CB-CE1 4.04Å; L510-F537 HydrophobicContact CD1-CB 3.84Å; L510-F537 HydrophobicContact CD1-CD1 3.49Å; L510-F537 VanDerWaalsContact CD1-CD1 3.49Å; L510-F537 HydrophobicContact CD1-CD2 4.21Å; L510-F537 HydrophobicContact CD1-CE1 4.16Å; L510-F537 HydrophobicContact CD1-CG 3.54Å; L510-F537 HydrophobicContact CG-CD1 4.23Å; Y511-F537 AromaticContact CE1-CE1 3.94Å; Y511-F537 HydrophobicContact CE1-CE1 3.94Å; Y511-F537 HydrophobicContact CE2-CE1 4.03Å; Y511-F537 HydrophobicContact CE2-CZ 4.12Å; Y511-F537 AromaticContact CZ-CE1 3.65Å; Y511-F537 AromaticContact CZ-CZ 3.82Å; L532-F537 HydrophobicContact CD2-CB 3.97Å; L532-F537 HydrophobicContact CD2-CD2 4.31Å; L532-F537 HydrophobicContact CG-CB 4.26Å; D533-F537 VanDerWaalsContact O-CB 3.31Å; D533-F537 WeakPolarHBondContact O-CB 3.38Å; D533-F537 PolarHBondContact O-N 3.42Å; F537-Y539 PolarHBondContact O-N 2.85Å; F537-I541 HydrophobicContact CD2-CD1 3.7Å; F537-I541 HydrophobicContact CD2-CG1 3.69Å; F537-I541 HydrophobicContact CE2-CD1 3.8Å; F537-I541 HydrophobicContact CE2-CG1 3.83Å; F537-I541 HydrophobicContact CG-CG1 4.46Å; F537-I541 WeakPolarHBondContact O-CG1 3.25Å; F537-I541 PolarHBondContact O-N 2.77Å; F537-I541 VanDerWaalsContact O-N 3.13Å; F537-G542 PolarHBondContact O-N 3.24Å; F537-F547 HydrophobicContact CE2-CD2 4.43Å; F537-F547 HydrophobicContact CZ-CB 4.46Å; F537-F547 HydrophobicContact CZ-CG 4.49Å
538	I	72	Confident	74.4	Confident	79 Å²	79	41 Å²	41	41%	0.405	21%	0.209	S	C	.	.	H	α-helix	trans	-52.2	-34.3	-177.2	-70.7	170.3	0	0	0	110.9	L510 R534 G542	L510-I538 WeakPolarHBondContact O-CD1 3.25Å; R534-I538 HydrophobicContact CG-CD1 3.7Å; R534-I538 HydrophobicContact CG-CG1 4.42Å; R534-I538 WeakPolarHBondContact O-CB 3.39Å; R534-I538 WeakPolarHBondContact O-CD1 3.1Å; R534-I538 WeakPolarHBondContact O-CG1 3.48Å; R534-I538 PolarHBondContact O-N 2.88Å; I538-G542 WeakPolarHBondContact O-CA 3.29Å; I538-G542 PolarHBondContact O-N 2.63Å
539	Y	66.1	Low	72.7	Confident	50 Å²	50	40.6 Å²	40.6	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-97	-38.1	-162.2	-170.6	-134	0	0	0	113.6	S535 N536 F537 R853 G854 G855 D858	S535-Y539 WeakPolarHBondContact O-CB 3.47Å; S535-Y539 PolarHBondContact O-N 2.9Å; N536-Y539 PolarHBondContact O-N 3.43Å; F537-Y539 PolarHBondContact O-N 2.85Å; Y539-R853 HydrophobicContact CD1-CB 4.39Å; Y539-R853 HydrophobicContact CD2-CB 3.71Å; Y539-R853 HydrophobicContact CE1-CB 4.48Å; Y539-R853 HydrophobicContact CE2-CB 3.77Å; Y539-R853 HydrophobicContact CG-CB 4.02Å; Y539-R853 VanDerWaalsContact O-CB 3.28Å; Y539-R853 WeakPolarHBondContact O-CB 3.29Å; Y539-R853 VanDerWaalsContact O-CD 3.29Å; Y539-R853 WeakPolarHBondContact O-CD 3.27Å; Y539-R853 PolarHBondContact OH-N 2.93Å; Y539-G854 VanDerWaalsContact CZ-N 3.29Å; Y539-G854 PolarHBondContact OH-N 3.13Å; Y539-G855 PolarHBondContact OH-N 2.73Å; Y539-G855 VanDerWaalsContact OH-N 3.1Å; Y539-D858 VanDerWaalsContact CE2-OD2 3.31Å; Y539-D858 WeakPolarHBondContact CE2-OD2 3.22Å; Y539-D858 PolarHBondContact OH-OD2 3.29Å
540	L	71.6	Confident	71.3	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-83.9	-44.7	175.8	-63.5	178.1	0	0	0	111.9	K444 K447 L448 V451 N536	K444-L540 WeakPolarHBondContact CE-O 3.45Å; K444-L540 PolarHBondContact NZ-O 3.41Å; K447-L540 HydrophobicContact CB-CD2 3.98Å; K447-L540 HydrophobicContact CD-CD2 4.34Å; L448-L540 HydrophobicContact CB-CD1 4.45Å; L448-L540 HydrophobicContact CD1-CD1 4.12Å; V451-L540 HydrophobicContact CG2-CD1 3.51Å; N536-L540 HydrophobicContact CB-CD1 4.5Å; N536-L540 WeakPolarHBondContact O-CB 3.49Å; N536-L540 WeakPolarHBondContact O-CG 3.36Å; N536-L540 PolarHBondContact O-N 2.94Å
541	I	76.9	Confident	69.6	Low	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-9.7	-167.3	61	174.2	0	0	0	115.1	L437 L440 L448 F473 L532 F537 D543 L544 F547	L437-I541 HydrophobicContact CD2-CB 4.36Å; L437-I541 HydrophobicContact CD2-CD1 4.18Å; L437-I541 HydrophobicContact CD2-CG2 3.84Å; L440-I541 HydrophobicContact CD1-CG2 3.84Å; L448-I541 HydrophobicContact CD1-CD1 4.4Å; L448-I541 HydrophobicContact CD1-CG2 4.32Å; L448-I541 HydrophobicContact CD2-CG2 3.82Å; F473-I541 HydrophobicContact CD1-CD1 4.16Å; F473-I541 HydrophobicContact CE1-CD1 3.71Å; F473-I541 HydrophobicContact CZ-CD1 4.28Å; L532-I541 HydrophobicContact CD2-CD1 3.85Å; L532-I541 HydrophobicContact CD2-CG1 4.21Å; F537-I541 HydrophobicContact CD2-CD1 3.7Å; F537-I541 HydrophobicContact CD2-CG1 3.69Å; F537-I541 HydrophobicContact CE2-CD1 3.8Å; F537-I541 HydrophobicContact CE2-CG1 3.83Å; F537-I541 HydrophobicContact CG-CG1 4.46Å; F537-I541 WeakPolarHBondContact O-CG1 3.25Å; F537-I541 PolarHBondContact O-N 2.77Å; F537-I541 VanDerWaalsContact O-N 3.13Å; I541-D543 PolarHBondContact O-N 3.14Å; I541-L544 HydrophobicContact CB-CD1 4.28Å; I541-L544 HydrophobicContact CG2-CD1 4.44Å; I541-L544 WeakPolarHBondContact O-CB 3.3Å; I541-L544 WeakPolarHBondContact O-CG 3.49Å; I541-L544 PolarHBondContact O-N 3.49Å; I541-F547 HydrophobicContact CB-CD2 4.44Å; I541-F547 HydrophobicContact CB-CE2 3.97Å; I541-F547 HydrophobicContact CD1-CE2 3.88Å; I541-F547 HydrophobicContact CD1-CZ 4.26Å; I541-F547 HydrophobicContact CG1-CE2 4.21Å
542	G	68.6	Low	68.3	Low	6 Å²	6	49.9 Å²	49.9	6%	0.062	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.6	179.9	0	0	0	0	0	115.3	Y511 F537 I538 K548	Y511-G542 WeakPolarHBondContact CE1-O 3.43Å; Y511-G542 PolarHBondContact OH-O 3.07Å; F537-G542 PolarHBondContact O-N 3.24Å; I538-G542 WeakPolarHBondContact O-CA 3.29Å; I538-G542 PolarHBondContact O-N 2.63Å; G542-K548 WeakPolarHBondContact O-CE 3.09Å; G542-K548 PolarHBondContact O-NZ 3.22Å
543	D	71.9	Confident	66.7	Low	50 Å²	50	56.7 Å²	56.7	27%	0.267	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.6	171.6	63.7	-21.4	0	0	0	114.6	K444 I541 N545 R853	K444-D543 IonicContact NZ-OD1 3.23Å; K444-D543 PolarHBondContact NZ-OD1 2.9Å; K444-D543 IonicContact NZ-OD2 3.08Å; K444-D543 PolarHBondContact NZ-OD2 2.74Å; I541-D543 PolarHBondContact O-N 3.14Å; D543-N545 PolarHBondContact O-N 2.96Å; D543-R853 IonicContact OD1-NH1 2.79Å; D543-R853 IonicContact OD2-CZ 3.97Å; D543-R853 IonicContact OD2-NH1 3.71Å; D543-R853 PolarHBondContact OD2-NH1 2.86Å; D543-R853 IonicContact OD2-NH2 3.77Å; D543-R853 PolarHBondContact OD2-NH2 2.94Å
544	L	69.7	Low	65.5	Low	36 Å²	36	58 Å²	58	19%	0.188	31%	0.307	C	S	.	.			trans	-66.4	127.4	-178.8	-60.4	-179.4	0	0	0	111.2	A436 L437 L440 I541 E546 F547	A436-L544 VanDerWaalsContact O-CD1 3.26Å; A436-L544 WeakPolarHBondContact O-CD1 3.25Å; L437-L544 HydrophobicContact CD2-CD1 4.1Å; L440-L544 HydrophobicContact CD1-CD1 4.45Å; L440-L544 HydrophobicContact CD2-CD1 3.85Å; L440-L544 HydrophobicContact CD2-CD2 3.98Å; L440-L544 HydrophobicContact CD2-CG 4.35Å; L440-L544 HydrophobicContact CG-CD1 4.17Å; I541-L544 HydrophobicContact CB-CD1 4.28Å; I541-L544 HydrophobicContact CG2-CD1 4.44Å; I541-L544 WeakPolarHBondContact O-CB 3.3Å; I541-L544 WeakPolarHBondContact O-CG 3.49Å; I541-L544 PolarHBondContact O-N 3.49Å; L544-E546 PolarHBondContact O-N 3.46Å; L544-F547 HydrophobicContact CB-CD2 3.89Å; L544-F547 HydrophobicContact CB-CE2 4.28Å; L544-F547 HydrophobicContact CD1-CD2 4.22Å; L544-F547 HydrophobicContact CD1-CE2 3.76Å; L544-F547 PolarHBondContact O-N 2.89Å
545	N	65.3	Low	64.2	Low	121 Å²	121	60.5 Å²	60.5	65%	0.647	32%	0.323	S	S	*	.	H	α-helix	trans	-61.4	-33	-179.7	-74	-21	0	0	0	111.9	D543 F547 K548 S549	D543-N545 PolarHBondContact O-N 2.96Å; N545-F547 PolarHBondContact O-N 3.38Å; N545-K548 CarbonylContact O-C 3.55Å; N545-K548 WeakPolarHBondContact O-CA 3.4Å; N545-K548 PolarHBondContact O-N 2.97Å; N545-S549 WeakPolarHBondContact O-CB 3.48Å; N545-S549 PolarHBondContact O-N 3.46Å; N545-S549 PolarHBondContact O-OG 3.49Å; N545-S549 VanDerWaalsContact O-OG 3.06Å
546	E	68.9	Low	62.8	Low	81 Å²	81	64.6 Å²	64.6	38%	0.379	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-30	-178.6	-64.1	169.5	124.8	0	0	113.2	A436 L544	A436-E546 WeakPolarHBondContact CA-OE2 3.33Å; A436-E546 HydrophobicContact CB-CB 3.78Å; L544-E546 PolarHBondContact O-N 3.46Å
547	F	66.4	Low	61.5	Low	6 Å²	6	69.9 Å²	69.9	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-80.4	-25.2	172.8	-64.5	-50.7	0	0	0	113.4	A436 L437 F473 W504 E507 Y511 F537 I541 L544 N545	A436-F547 HydrophobicContact CB-CD1 4.38Å; A436-F547 HydrophobicContact CB-CE1 3.71Å; A436-F547 HydrophobicContact CB-CZ 3.78Å; L437-F547 HydrophobicContact CD2-CE2 3.77Å; L437-F547 HydrophobicContact CD2-CZ 3.65Å; L437-F547 HydrophobicContact CG-CZ 4.04Å; F473-F547 HydrophobicContact CE2-CD1 4.47Å; F473-F547 HydrophobicContact CE2-CE1 4.3Å; F473-F547 HydrophobicContact CZ-CD1 4.41Å; F473-F547 AromaticContact CZ-CE1 3.83Å; F473-F547 HydrophobicContact CZ-CE1 3.83Å; F473-F547 HydrophobicContact CZ-CZ 4.07Å; W504-F547 AromaticContact CD1-CD1 3.82Å; W504-F547 AromaticContact CD1-CE1 3.8Å; W504-F547 HydrophobicContact CD2-CD1 4.28Å; W504-F547 AromaticContact CD2-CE1 3.71Å; W504-F547 HydrophobicContact CD2-CE1 3.71Å; W504-F547 AromaticContact CE2-CD1 3.63Å; W504-F547 AromaticContact CE2-CE1 3.49Å; W504-F547 VanDerWaalsContact CE2-CE1 3.49Å; W504-F547 HydrophobicContact CE3-CE1 4.41Å; W504-F547 HydrophobicContact CG-CD1 4.35Å; W504-F547 AromaticContact CG-CE1 3.87Å; W504-F547 HydrophobicContact CG-CE1 3.87Å; W504-F547 HydrophobicContact CZ2-CD1 4.07Å; W504-F547 AromaticContact CZ2-CE1 3.98Å; W504-F547 HydrophobicContact CZ2-CE1 3.98Å; W504-F547 AromaticContact NE1-CD1 3.33Å; W504-F547 VanDerWaalsContact NE1-CD1 3.33Å; W504-F547 AromaticContact NE1-CE1 3.56Å; E507-F547 HydrophobicContact CG-CB 4.42Å; Y511-F547 HydrophobicContact CE2-CB 4.44Å; Y511-F547 WeakPolarHBondContact OH-CB 3.31Å; F537-F547 HydrophobicContact CE2-CD2 4.43Å; F537-F547 HydrophobicContact CZ-CB 4.46Å; F537-F547 HydrophobicContact CZ-CG 4.49Å; I541-F547 HydrophobicContact CB-CD2 4.44Å; I541-F547 HydrophobicContact CB-CE2 3.97Å; I541-F547 HydrophobicContact CD1-CE2 3.88Å; I541-F547 HydrophobicContact CD1-CZ 4.26Å; I541-F547 HydrophobicContact CG1-CE2 4.21Å; L544-F547 HydrophobicContact CB-CD2 3.89Å; L544-F547 HydrophobicContact CB-CE2 4.28Å; L544-F547 HydrophobicContact CD1-CD2 4.22Å; L544-F547 HydrophobicContact CD1-CE2 3.76Å; L544-F547 PolarHBondContact O-N 2.89Å; N545-F547 PolarHBondContact O-N 3.38Å
548	K	61.8	Low	59.2	Low	121 Å²	121	75.9 Å²	75.9	53%	0.526	40%	0.397	S	S	.	.	H	α-helix	trans	-87.1	-29.9	178.4	-64.1	176.6	-177.7	166.7	0	112.9	Y511 G542 N545	Y511-K548 HydrophobicContact CE1-CG 4.4Å; Y511-K548 HydrophobicContact CE2-CG 4.23Å; G542-K548 WeakPolarHBondContact O-CE 3.09Å; G542-K548 PolarHBondContact O-NZ 3.22Å; N545-K548 CarbonylContact O-C 3.55Å; N545-K548 WeakPolarHBondContact O-CA 3.4Å; N545-K548 PolarHBondContact O-N 2.97Å
549	S	57.1	Low	57.5	Low	80 Å²	80	75.5 Å²	75.5	56%	0.559	40%	0.401	S	S	*	.	S	Bend	trans	-98.6	5.8	-176.4	72.1	0	0	0	0	113.7	N545 T551	N545-S549 WeakPolarHBondContact O-CB 3.48Å; N545-S549 PolarHBondContact O-N 3.46Å; N545-S549 PolarHBondContact O-OG 3.49Å; N545-S549 VanDerWaalsContact O-OG 3.06Å; S549-T551 PolarHBondContact O-N 3.48Å
550	K	64.6	Low	55.7	Low	47 Å²	47	79.8 Å²	79.8	20%	0.204	43%	0.433	C	S	.	.			trans	-63.7	99.5	174.4	-173.3	162.9	176.9	170.8	0	108.7	W504 Y552	W504-K550 VanDerWaalsContact CE2-NZ 3.31Å; W504-K550 HydrophobicContact CZ2-CD 3.68Å; W504-K550 VanDerWaalsContact NE1-CD 3.35Å; W504-K550 PolarHBondContact O-NZ 2.85Å; K550-Y552 HydrophobicContact CB-CE2 4.08Å; K550-Y552 HydrophobicContact CD-CE2 4.34Å; K550-Y552 WeakPolarHBondContact CD-OH 3.45Å; K550-Y552 HydrophobicContact CG-CE2 3.83Å; K550-Y552 WeakPolarHBondContact O-CD2 3.4Å; K550-Y552 VanDerWaalsContact O-CE2 3.27Å; K550-Y552 WeakPolarHBondContact O-CE2 3.09Å
551	T	54.5	Low	53.6	Low	120 Å²	120	82.7 Å²	82.7	74%	0.736	46%	0.464	S	S	*	.			trans	-70.3	127.5	175.1	43.8	0	0	0	0	109.1	S549	S549-T551 PolarHBondContact O-N 3.48Å
552	Y	60.4	Low	51.4	Low	41 Å²	41	89 Å²	89	16%	0.161	50%	0.496	C	S	.	.			trans	-107.2	117.6	172.8	-67.2	-93.5	0	0	0	106.4	E507 R508 K550 D554	E507-Y552 PolarHBondContact OE1-OH 3.5Å; E507-Y552 PolarHBondContact OE2-OH 2.86Å; R508-Y552 HydrophobicContact CG-CE2 4.3Å; K550-Y552 HydrophobicContact CB-CE2 4.08Å; K550-Y552 HydrophobicContact CD-CE2 4.34Å; K550-Y552 WeakPolarHBondContact CD-OH 3.45Å; K550-Y552 HydrophobicContact CG-CE2 3.83Å; K550-Y552 WeakPolarHBondContact O-CD2 3.4Å; K550-Y552 VanDerWaalsContact O-CE2 3.27Å; K550-Y552 WeakPolarHBondContact O-CE2 3.09Å; Y552-D554 PolarHBondContact O-N 2.95Å
553	D	47.3	Very low	49.5	Very low	144 Å²	144	95.4 Å²	95.4	77%	0.77	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	14.8	-168.1	-57.8	-50.9	0	0	0	115.6
554	D	49.4	Very low	47.3	Very low	87 Å²	87	97.7 Å²	97.7	47%	0.465	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	17.1	-168.2	-57.5	-83.2	0	0	0	113.8	I496 R497 Y552 N556	I496-D554 VanDerWaalsContact CG2-CG 3.5Å; I496-D554 WeakPolarHBondContact CG2-OD1 3.23Å; I496-D554 WeakPolarHBondContact CG2-OD2 3.39Å; R497-D554 IonicContact CZ-OD2 3.69Å; R497-D554 VanDerWaalsContact CZ-OD2 3.23Å; R497-D554 IonicContact NH1-OD2 2.74Å; R497-D554 PolarHBondContact NH1-OD2 3.27Å; R497-D554 IonicContact NH2-OD2 3.89Å; R497-D554 PolarHBondContact NH2-OD2 3.14Å; Y552-D554 PolarHBondContact O-N 2.95Å; D554-N556 VanDerWaalsContact C-N 3.28Å; D554-N556 PolarHBondContact O-N 2.93Å
555	I	46.3	Very low	45.4	Very low	100 Å²	100	102.6 Å²	102.6	51%	0.513	57%	0.57	S	S	.	*			trans	-83.8	73.8	178.4	-50.4	179.8	0	0	0	110.5
556	N	34.8	Very low	43.5	Very low	172 Å²	172	102.3 Å²	102.3	92%	0.92	57%	0.568	S	S	*	*			trans	-110.1	26.2	162.5	-106.4	-16.2	0	0	0	112.1	D554	D554-N556 VanDerWaalsContact C-N 3.28Å; D554-N556 PolarHBondContact O-N 2.93Å
557	R	40	Very low	41.7	Very low	121 Å²	121	105.8 Å²	105.8	46%	0.457	58%	0.584	S	S	.	*	S	Bend	trans	-106.7	139.4	161.8	-83	-172	177.9	138.1	-0.2	109.4	H485 D488 S559	H485-R557 PolarHBondContact CE1-NH1 3Å; H485-R557 PolarHBondContact NE2-NH1 3.25Å; H485-R557 PolarHBondContact NE2-NH2 3.23Å; H485-R557 VanDerWaalsContact NE2-NH2 3.16Å; D488-R557 IonicContact OD1-CZ 2.68Å; D488-R557 IonicContact OD1-NH2 2.71Å; D488-R557 PolarHBondContact OD1-NH2 2.93Å; D488-R557 IonicContact OD2-CZ 3.19Å; D488-R557 IonicContact OD2-NE 3.8Å; D488-R557 IonicContact OD2-NH2 2.8Å; D488-R557 PolarHBondContact OD2-NH2 3.47Å; R557-S559 PolarHBondContact O-N 3.31Å
558	P	29.5	Very low	39.9	Very low	126 Å²	126	113.1 Å²	113.1	82%	0.818	62%	0.619	S	S	*	*			trans	-69.7	96.1	175.9	29.2	-33.5	0	0	0	109.7	T560	P558-T560 PolarHBondContact O-N 3.29Å
559	S	36.2	Very low	38.3	Very low	70 Å²	70	116.6 Å²	116.6	49%	0.49	64%	0.637	S	S	.	*			trans	-64.4	106.8	171.9	-59.1	0	0	0	0	109.7	R557 G561	R557-S559 PolarHBondContact O-N 3.31Å; S559-G561 PolarHBondContact O-N 3.32Å; S559-G561 VanDerWaalsContact O-N 3.09Å
560	T	28.4	Very low	36.9	Very low	141 Å²	141	117.5 Å²	117.5	87%	0.865	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	112.4	167.7	43.1	0	0	0	0	110	P558	P558-T560 PolarHBondContact O-N 3.29Å
561	G	28.7	Very low	35.2	Very low	66 Å²	66	118.6 Å²	118.6	68%	0.68	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.9	58.6	162.6	0	0	0	0	0	116.2	S559 I563	S559-G561 PolarHBondContact O-N 3.32Å; S559-G561 VanDerWaalsContact O-N 3.09Å; G561-I563 PolarHBondContact O-N 3.49Å
562	I	29.3	Very low	33.8	Very low	134 Å²	134	122.1 Å²	122.1	69%	0.687	67%	0.673	S	S	*	*			trans	-66.3	88.7	150.3	-59.5	177.5	0	0	0	107.1	P564	I562-P564 VanDerWaalsContact O-CD 3.28Å; I562-P564 WeakPolarHBondContact O-CD 3.4Å
563	I	28.4	Very low	32.2	Very low	140 Å²	140	131.5 Å²	131.5	72%	0.718	71%	0.71	S	S	*	*			trans	-76.5	113.8	159.7	-62	179.2	0	0	0	105.6	G561 I565	G561-I563 PolarHBondContact O-N 3.49Å; I563-I565 PolarHBondContact O-N 3.09Å
564	P	27.1	Very low	31.3	Very low	97 Å²	97	131.9 Å²	131.9	63%	0.63	71%	0.711	S	S	*	*			trans	-63.5	114.2	167.5	27.1	-31.7	0	0	0	107.4	I562 N566	I562-P564 VanDerWaalsContact O-CD 3.28Å; I562-P564 WeakPolarHBondContact O-CD 3.4Å; P564-N566 PolarHBondContact O-N 2.86Å
565	I	29.2	Very low	30.2	Very low	139 Å²	139	134.8 Å²	134.8	71%	0.713	73%	0.727	S	S	*	*			trans	-66.3	95.1	166.5	-60.2	178.3	0	0	0	106.2	I563 H567	I563-I565 PolarHBondContact O-N 3.09Å; I565-H567 PolarHBondContact O-N 3.24Å
566	N	25.2	Very low	29.3	Very low	115 Å²	115	138.3 Å²	138.3	62%	0.615	74%	0.738	S	S	*	*			trans	-65.4	86.9	171.3	-112.2	-6.8	0	0	0	108.3	P564 Q568	P564-N566 PolarHBondContact O-N 2.86Å; N566-Q568 PolarHBondContact O-N 2.7Å
567	H	32.2	Very low	28.9	Very low	155 Å²	155	139.5 Å²	139.5	72%	0.718	74%	0.738	S	S	*	*			trans	-70.3	52.3	154.6	-87.4	-62.1	0	0	0	110.3	I565	I565-H567 PolarHBondContact O-N 3.24Å
568	Q	26.9	Very low	28.3	Very low	160 Å²	160	140 Å²	140	75%	0.748	75%	0.746	S	S	*	*			trans	-110.4	34.8	161	-73.6	-165.3	-21.7	0	0	110.2	N566	N566-Q568 PolarHBondContact O-N 2.7Å
569	Q	29.2	Very low	28.1	Very low	193 Å²	193	141 Å²	141	90%	0.902	75%	0.75	S	S	*	*	S	Bend	trans	-130.5	45.3	161.5	-70.2	-164.2	-5.6	0	0	111.4
570	S	28.6	Very low	27.7	Very low	100 Å²	100	143.4 Å²	143.4	70%	0.699	76%	0.761	S	S	*	*	S	Bend	trans	-136.8	58.2	162.5	59.7	0	0	0	0	108.7
571	G	27.7	Very low	27.6	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	76%	0.756	S	S	*	*			trans	-174	48.6	-167.9	0	0	0	0	0	113.2
572	K	25.5	Very low	27.4	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	76%	0.761	S	S	*	*			trans	-164.9	54.2	167.5	-114.5	173	-172.2	-178.1	0	112.5
573	Y	26.9	Very low	27.4	Very low	237 Å²	237	143.4 Å²	143.4	93%	0.929	76%	0.76	S	S	*	*			trans	-143.2	51.8	161.1	-86	-72.9	0	0	0	109.6
574	L	27.7	Very low	27.4	Very low	153 Å²	153	144 Å²	144	80%	0.801	76%	0.761	S	S	*	*	S	Bend	trans	-113.8	155.4	149.6	-107.2	78.5	0	0	0	106.8
575	D	26.8	Very low	27.7	Very low	148 Å²	148	143.9 Å²	143.9	79%	0.791	76%	0.758	S	S	*	*			trans	66.3	68	170.6	-48.8	-19.9	0	0	0	116.3
576	K	27.8	Very low	28.4	Very low	174 Å²	174	141.4 Å²	141.4	76%	0.757	75%	0.749	S	S	*	*			trans	-126.6	103.1	137.2	-91.1	-163.7	161.6	-153.7	0	110	E578	K576-E578 VanDerWaalsContact C-N 3.32Å; K576-E578 IonicContact NZ-OE1 2.86Å; K576-E578 PolarHBondContact NZ-OE1 2.94Å; K576-E578 PolarHBondContact O-N 3.15Å
577	E	25.2	Very low	29	Very low	197 Å²	197	143.8 Å²	143.8	92%	0.921	76%	0.757	S	S	*	*			trans	-70	89.2	160.7	-65.2	-175.4	140.4	0	0	108.8
578	E	27.9	Very low	29.1	Very low	131 Å²	131	141.7 Å²	141.7	61%	0.612	75%	0.747	S	S	*	*			trans	-102.5	113.2	162.5	-84.4	175	-157.6	0	0	108.6	K576 V580	K576-E578 VanDerWaalsContact C-N 3.32Å; K576-E578 IonicContact NZ-OE1 2.86Å; K576-E578 PolarHBondContact NZ-OE1 2.94Å; K576-E578 PolarHBondContact O-N 3.15Å; E578-V580 VanDerWaalsContact C-N 3.28Å; E578-V580 PolarHBondContact O-N 3.22Å
579	T	25	Very low	29.7	Very low	148 Å²	148	143.3 Å²	143.3	91%	0.908	75%	0.746	S	S	*	*			trans	-68.2	80.1	-179.2	50.9	0	0	0	0	111
580	V	29	Very low	30.2	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	72%	0.724	S	S	*	*			trans	-96.6	114.3	173.3	-178.7	0	0	0	0	109	E578 T582	E578-V580 VanDerWaalsContact C-N 3.28Å; E578-V580 PolarHBondContact O-N 3.22Å; V580-T582 PolarHBondContact O-N 3.31Å
581	S	25.8	Very low	30.9	Very low	107 Å²	107	137 Å²	137	75%	0.748	71%	0.713	S	S	*	*			trans	-49.4	127.4	178	48.1	0	0	0	0	112.8	P583	S581-P583 WeakPolarHBondContact O-CD 3.45Å
582	T	24.9	Very low	31.5	Very low	128 Å²	128	141.4 Å²	141.4	79%	0.785	71%	0.713	S	S	*	*			trans	-60.4	119.7	-178.9	20.4	0	0	0	0	113.2	V580 Q584	V580-T582 PolarHBondContact O-N 3.31Å; T582-Q584 PolarHBondContact O-N 3.18Å
583	P	29.4	Very low	32.7	Very low	105 Å²	105	135.8 Å²	135.8	68%	0.682	69%	0.691	S	S	*	*			trans	-80	100.6	167.1	31.5	-30.6	0	0	0	109.6	S581 T585	S581-P583 WeakPolarHBondContact O-CD 3.45Å; P583-T585 PolarHBondContact O-N 2.72Å; P583-T585 PolarHBondContact O-OG1 2.87Å
584	Q	26.9	Very low	33.5	Very low	154 Å²	154	126.1 Å²	126.1	72%	0.72	66%	0.659	S	S	*	*			trans	-57.4	96.9	171.9	-69.2	-171.1	-75.2	0	0	111.1	T582 E588	T582-Q584 PolarHBondContact O-N 3.18Å; Q584-E588 PolarHBondContact NE2-OE2 3.18Å
585	T	34.3	Very low	34.4	Very low	94 Å²	94	125.5 Å²	125.5	58%	0.577	66%	0.655	S	S	*	*			trans	-147.6	134.4	-174.5	-10.5	0	0	0	0	114.2	P583 E587	P583-T585 PolarHBondContact O-N 2.72Å; P583-T585 PolarHBondContact O-OG1 2.87Å; T585-E587 PolarHBondContact O-N 3.39Å
586	V	43.3	Very low	35.9	Very low	86 Å²	86	120.9 Å²	120.9	52%	0.521	64%	0.635	S	S	.	*	S	Bend	trans	67.1	-62.6	172.2	-166.5	0	0	0	0	116.9	E588 R589 Q590	V586-E588 PolarHBondContact O-N 3.3Å; V586-R589 PolarHBondContact O-N 3.49Å; V586-R589 VanDerWaalsContact O-N 3.08Å; V586-Q590 PolarHBondContact O-N 3.01Å
587	E	37.4	Very low	37.6	Very low	166 Å²	166	113.4 Å²	113.4	78%	0.776	60%	0.602	S	S	*	*	H	α-helix	trans	-65.6	-41.8	-169.2	-66.9	-169.5	154.2	0	0	113.3	T585 R589 Q590 S591	T585-E587 PolarHBondContact O-N 3.39Å; E587-R589 PolarHBondContact O-N 3.23Å; E587-Q590 PolarHBondContact O-N 3.36Å; E587-S591 PolarHBondContact O-N 3.49Å; E587-S591 PolarHBondContact O-OG 3.12Å
588	E	34.4	Very low	39.3	Very low	110 Å²	110	107.5 Å²	107.5	51%	0.514	59%	0.587	S	S	.	*	H	α-helix	trans	-64.4	-20.1	175	-66.5	-166.4	128.8	0	0	113.9	Q584 V586 S591	Q584-E588 PolarHBondContact NE2-OE2 3.18Å; V586-E588 PolarHBondContact O-N 3.3Å; E588-S591 PolarHBondContact O-OG 3.31Å
589	R	39.5	Very low	41.5	Very low	195 Å²	195	109.7 Å²	109.7	74%	0.736	60%	0.595	S	S	*	*	H	α-helix	trans	-82	-41.3	176.6	-68.9	-174.6	178.9	180	0.1	111.2	V586 E587 S591 K592 D593	V586-R589 PolarHBondContact O-N 3.49Å; V586-R589 VanDerWaalsContact O-N 3.08Å; E587-R589 PolarHBondContact O-N 3.23Å; R589-S591 PolarHBondContact O-N 2.82Å; R589-K592 PolarHBondContact O-N 2.77Å; R589-D593 PolarHBondContact O-N 2.93Å; R589-D593 VanDerWaalsContact O-N 3.16Å
590	Q	41.2	Very low	44.6	Very low	93 Å²	93	103 Å²	103	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-69.5	-30.6	179.3	-64.1	-170.4	10.3	0	0	113.2	V586 E587 S594	V586-Q590 PolarHBondContact O-N 3.01Å; E587-Q590 PolarHBondContact O-N 3.36Å; Q590-S594 PolarHBondContact O-N 2.71Å; Q590-S594 PolarHBondContact O-OG 3.38Å
591	S	41.5	Very low	47.5	Very low	68 Å²	68	101.5 Å²	101.5	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-70.6	-41.7	174.8	60.7	0	0	0	0	112.4	E587 E588 R589 S594	E587-S591 PolarHBondContact O-N 3.49Å; E587-S591 PolarHBondContact O-OG 3.12Å; E588-S591 PolarHBondContact O-OG 3.31Å; R589-S591 PolarHBondContact O-N 2.82Å; S591-S594 WeakPolarHBondContact O-CB 3.32Å; S591-S594 PolarHBondContact O-N 3.18Å
592	K	41	Very low	50.8	Low	162 Å²	162	99 Å²	99	70%	0.704	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-43.2	175.3	-81.8	179.9	175.5	171.5	0	113.4	R589 S594 L595	R589-K592 PolarHBondContact O-N 2.77Å; K592-S594 PolarHBondContact O-N 2.76Å; K592-L595 PolarHBondContact O-N 2.76Å
593	D	50	Low	54	Low	75 Å²	75	99.5 Å²	99.5	40%	0.401	52%	0.515	S	S	.	.	H	α-helix	trans	-60.2	-36.4	176.5	-100.1	-29.5	0	0	0	111.8	R589 L595 S596 F597 K630	R589-D593 PolarHBondContact O-N 2.93Å; R589-D593 VanDerWaalsContact O-N 3.16Å; D593-L595 VanDerWaalsContact C-N 3.28Å; D593-L595 PolarHBondContact O-N 3.48Å; D593-S596 WeakPolarHBondContact O-CB 3.42Å; D593-S596 PolarHBondContact O-N 3.01Å; D593-S596 PolarHBondContact O-OG 3.21Å; D593-F597 HydrophobicContact CB-CD2 4.37Å; D593-F597 HydrophobicContact CB-CE2 3.82Å; D593-F597 WeakPolarHBondContact O-CD2 3.32Å; D593-F597 PolarHBondContact O-N 3.35Å; D593-K630 IonicContact OD1-NZ 3.22Å
594	S	44.8	Very low	57.1	Low	35 Å²	35	95.6 Å²	95.6	25%	0.245	49%	0.488	C	S	.	.	H	α-helix	trans	-59.4	-33.8	-178.8	-59.8	0	0	0	0	113.8	Q590 S591 K592 R668	Q590-S594 PolarHBondContact O-N 2.71Å; Q590-S594 PolarHBondContact O-OG 3.38Å; S591-S594 WeakPolarHBondContact O-CB 3.32Å; S591-S594 PolarHBondContact O-N 3.18Å; K592-S594 PolarHBondContact O-N 2.76Å; S594-R668 PolarHBondContact OG-NH2 3Å
595	L	45.7	Very low	60.4	Low	139 Å²	139	89.4 Å²	89.4	73%	0.728	46%	0.46	S	S	*	.	H	α-helix	trans	-82.1	-18.8	175.9	-76.7	164.4	0	0	0	113.2	K592 D593	K592-L595 PolarHBondContact O-N 2.76Å; D593-L595 VanDerWaalsContact C-N 3.28Å; D593-L595 PolarHBondContact O-N 3.48Å
596	S	58.3	Low	63.2	Low	51 Å²	51	87.5 Å²	87.5	36%	0.357	44%	0.444	S	S	.	.	H	α-helix	trans	-77.9	-40.8	-179.7	80	0	0	0	0	112.4	D593 A598 K599	D593-S596 WeakPolarHBondContact O-CB 3.42Å; D593-S596 PolarHBondContact O-N 3.01Å; D593-S596 PolarHBondContact O-OG 3.21Å; S596-A598 PolarHBondContact O-N 2.81Å; S596-K599 PolarHBondContact O-N 3.45Å
597	F	64.6	Low	65.6	Low	17 Å²	17	91.2 Å²	91.2	8%	0.075	45%	0.449	C	S	.	.	H	α-helix	trans	-77.5	-21.1	-173.6	-62.5	-58.4	0	0	0	114.1	D593 K599 I600 K630 F632 Y670	D593-F597 HydrophobicContact CB-CD2 4.37Å; D593-F597 HydrophobicContact CB-CE2 3.82Å; D593-F597 WeakPolarHBondContact O-CD2 3.32Å; D593-F597 PolarHBondContact O-N 3.35Å; F597-K599 PolarHBondContact O-N 3.13Å; F597-I600 HydrophobicContact CD1-CD1 3.78Å; F597-I600 PolarHBondContact O-N 2.81Å; F597-K630 HydrophobicContact CE1-CD 3.88Å; F597-K630 HydrophobicContact CZ-CD 4.29Å; F597-K630 VanDerWaalsContact CZ-NZ 3.35Å; F597-F632 HydrophobicContact CD1-CE1 4.12Å; F597-F632 AromaticContact CD1-CZ 3.93Å; F597-F632 HydrophobicContact CD1-CZ 3.93Å; F597-F632 HydrophobicContact CE1-CE1 4.03Å; F597-F632 AromaticContact CE1-CZ 3.71Å; F597-F632 HydrophobicContact CE1-CZ 3.71Å; F597-Y670 HydrophobicContact CB-CD1 3.81Å; F597-Y670 HydrophobicContact CB-CG 4.26Å; F597-Y670 AromaticContact CD2-CD1 3.46Å; F597-Y670 HydrophobicContact CD2-CD1 3.46Å; F597-Y670 VanDerWaalsContact CD2-CD1 3.46Å; F597-Y670 AromaticContact CD2-CE1 3.5Å; F597-Y670 HydrophobicContact CD2-CE1 3.5Å; F597-Y670 HydrophobicContact CE2-CD1 4.14Å; F597-Y670 AromaticContact CE2-CE1 3.69Å; F597-Y670 HydrophobicContact CE2-CE1 3.69Å; F597-Y670 AromaticContact CG-CD1 3.71Å; F597-Y670 HydrophobicContact CG-CD1 3.71Å; F597-Y670 HydrophobicContact CG-CE1 4.1Å; F597-Y670 HydrophobicContact CG-CG 4.42Å; F597-Y670 HydrophobicContact CZ-CE1 4.42Å
598	A	60.1	Low	68.2	Low	73 Å²	73	85.6 Å²	85.6	60%	0.603	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-7.1	171.9	0	0	0	0	0	113.8	S596	S596-A598 PolarHBondContact O-N 2.81Å
599	K	74.1	Confident	70.8	Confident	178 Å²	178	83.9 Å²	83.9	77%	0.774	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	7.5	178.5	-63.9	-174.5	176.6	-176.9	0	114.5	S596 F597 D601	S596-K599 PolarHBondContact O-N 3.45Å; F597-K599 PolarHBondContact O-N 3.13Å; K599-D601 PolarHBondContact O-N 2.8Å
600	I	89.4	Confident	73.1	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	41%	0.405	C	S	.	.			trans	-71.6	118.4	171.3	-66.7	-176.7	0	0	0	108.2	F597 L605 W624 F632 Y673 L682	F597-I600 HydrophobicContact CD1-CD1 3.78Å; F597-I600 PolarHBondContact O-N 2.81Å; I600-L605 HydrophobicContact CG2-CD1 4.35Å; I600-L605 HydrophobicContact CG2-CD2 3.81Å; I600-L605 HydrophobicContact CG2-CG 4.07Å; I600-W624 HydrophobicContact CD1-CD2 4.22Å; I600-W624 HydrophobicContact CD1-CG 4.36Å; I600-W624 HydrophobicContact CG1-CD2 4.28Å; I600-W624 HydrophobicContact CG1-CZ2 4.27Å; I600-F632 HydrophobicContact CD1-CE1 4.29Å; I600-F632 HydrophobicContact CD1-CE2 3.75Å; I600-F632 HydrophobicContact CD1-CZ 3.55Å; I600-Y673 WeakPolarHBondContact CG2-OH 3.44Å; I600-Y673 WeakPolarHBondContact O-CE1 3.3Å; I600-Y673 PolarHBondContact O-OH 3.29Å; I600-L682 HydrophobicContact CB-CD2 4.45Å; I600-L682 HydrophobicContact CD1-CD2 4.22Å; I600-L682 HydrophobicContact CG2-CD2 4.21Å
601	D	92	Very high	75.1	Confident	89 Å²	89	76 Å²	76	48%	0.476	40%	0.399	S	S	.	.			trans	-74.2	146.9	170.1	-155.1	-58	0	0	0	110.2	K599 D603 D604	K599-D601 PolarHBondContact O-N 2.8Å; D601-D603 PolarHBondContact O-N 2.89Å; D601-D603 PolarHBondContact OD1-N 2.91Å; D601-D604 HydrophobicContact CB-CB 4.47Å; D601-D604 PolarHBondContact O-N 2.82Å
602	K	93.2	Very high	76.8	Confident	54 Å²	54	74.2 Å²	74.2	24%	0.235	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-60.9	-35.6	174.5	-174.8	-163.6	169.7	-164.2	0	110.6	D604 L605 Y673 D675 Y680	K602-D604 PolarHBondContact O-N 3.45Å; K602-L605 WeakPolarHBondContact O-CB 3.4Å; K602-L605 PolarHBondContact O-N 3.2Å; K602-Y673 HydrophobicContact CB-CD1 3.84Å; K602-Y673 HydrophobicContact CB-CD2 4.12Å; K602-Y673 HydrophobicContact CB-CE1 4.05Å; K602-Y673 HydrophobicContact CB-CE2 4.32Å; K602-Y673 HydrophobicContact CB-CG 3.87Å; K602-Y673 HydrophobicContact CG-CD2 4.15Å; K602-Y673 HydrophobicContact CG-CG 4.17Å; K602-D675 IonicContact NZ-OD2 3.75Å; K602-D675 PolarHBondContact NZ-OD2 3.01Å; K602-Y680 HydrophobicContact CD-CE2 4.46Å; K602-Y680 VanDerWaalsContact CE-CZ 3.4Å; K602-Y680 PolarHBondContact NZ-OH 3.13Å; K602-Y680 VanDerWaalsContact NZ-OH 3.11Å
603	D	93.7	Very high	78.3	Confident	140 Å²	140	72.2 Å²	72.2	75%	0.749	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-78.5	-10.3	-176.8	-63.7	-15	0	0	0	112.3	D601 L605	D601-D603 PolarHBondContact O-N 2.89Å; D601-D603 PolarHBondContact OD1-N 2.91Å; D603-L605 VanDerWaalsContact C-N 3.29Å
604	D	94.1	Very high	79.1	Confident	23 Å²	23	70.9 Å²	70.9	12%	0.123	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-83.2	5.3	167.5	-65.3	-40.9	0	0	0	113.3	D601 K602 T625 K626	D601-D604 HydrophobicContact CB-CB 4.47Å; D601-D604 PolarHBondContact O-N 2.82Å; K602-D604 PolarHBondContact O-N 3.45Å; D604-T625 WeakPolarHBondContact O-CG2 3.24Å; D604-T625 PolarHBondContact O-N 2.87Å; D604-T625 PolarHBondContact O-OG1 2.69Å; D604-T625 VanDerWaalsContact O-OG1 3.12Å; D604-K626 WeakPolarHBondContact OD1-CE 3.39Å; D604-K626 IonicContact OD1-NZ 3.66Å; D604-K626 PolarHBondContact OD1-NZ 2.9Å; D604-K626 WeakPolarHBondContact OD2-CE 3.39Å; D604-K626 IonicContact OD2-NZ 2.87Å; D604-K626 PolarHBondContact OD2-NZ 2.9Å
605	L	95.1	Very high	79.8	Confident	24 Å²	24	71.8 Å²	71.8	13%	0.126	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.8	-176.3	-64.6	174.2	0	0	0	111.7	I600 K602 D603 V622 L634 Y673 L682	I600-L605 HydrophobicContact CG2-CD1 4.35Å; I600-L605 HydrophobicContact CG2-CD2 3.81Å; I600-L605 HydrophobicContact CG2-CG 4.07Å; K602-L605 WeakPolarHBondContact O-CB 3.4Å; K602-L605 PolarHBondContact O-N 3.2Å; D603-L605 VanDerWaalsContact C-N 3.29Å; L605-V622 HydrophobicContact CB-CB 4.2Å; L605-V622 HydrophobicContact CB-CG2 4.33Å; L605-V622 HydrophobicContact CD1-CG2 4.31Å; L605-V622 HydrophobicContact CD2-CB 4.45Å; L605-V622 HydrophobicContact CD2-CG2 3.9Å; L605-V622 HydrophobicContact CG-CG2 4.42Å; L605-L634 HydrophobicContact CD1-CD1 4.47Å; L605-Y673 HydrophobicContact CD1-CE2 3.92Å; L605-L682 HydrophobicContact CD1-CD1 3.71Å; L605-L682 HydrophobicContact CD1-CD2 4.47Å; L605-L682 HydrophobicContact CD2-CD1 4.37Å
606	E	94.4	Very high	80.8	Confident	54 Å²	54	68.7 Å²	68.7	25%	0.252	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.5	175.4	-171.5	169.2	-150.2	0	0	110.1	I608 V622 A623 T625 R628 K893	E606-I608 PolarHBondContact O-N 2.91Å; E606-V622 CarbonylContact O-C 3.51Å; E606-V622 VanDerWaalsContact O-CA 3.26Å; E606-V622 WeakPolarHBondContact O-CA 3.31Å; E606-A623 PolarHBondContact N-O 2.95Å; E606-A623 PolarHBondContact O-N 3.36Å; E606-T625 HydrophobicContact CB-CG2 3.94Å; E606-R628 IonicContact OE1-NH2 3.96Å; E606-R628 IonicContact OE2-CZ 2.64Å; E606-R628 IonicContact OE2-NE 2.66Å; E606-R628 IonicContact OE2-NH2 3.36Å; E606-R628 PolarHBondContact OE2-NH2 2.83Å; E606-K893 WeakPolarHBondContact OE1-CE 3.3Å; E606-K893 IonicContact OE1-NZ 2.98Å; E606-K893 PolarHBondContact OE1-NZ 3.04Å
607	R	93.5	Very high	81.5	Confident	164 Å²	164	67.4 Å²	67.4	62%	0.619	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.3	178.7	-173.4	-162.5	71.2	171.1	3.5	110.8	E620	R607-E620 HydrophobicContact CG-CB 4.29Å
608	I	91	Very high	82.6	Confident	48 Å²	48	67.5 Å²	67.5	25%	0.246	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-71	169.1	-60	164.1	0	0	0	109	E606 L621 A623 T631 F890	E606-I608 PolarHBondContact O-N 2.91Å; I608-L621 HydrophobicContact CB-CB 4.39Å; I608-L621 HydrophobicContact CB-CD2 4.18Å; I608-L621 HydrophobicContact CB-CG 4.31Å; I608-L621 HydrophobicContact CD1-CD2 3.92Å; I608-L621 HydrophobicContact CD1-CG 4.01Å; I608-L621 HydrophobicContact CG2-CD2 4.17Å; I608-L621 PolarHBondContact N-O 2.68Å; I608-A623 HydrophobicContact CD1-CB 3.9Å; I608-A623 HydrophobicContact CG1-CB 4.28Å; I608-T631 HydrophobicContact CD1-CG2 3.88Å; I608-F890 HydrophobicContact CD1-CE1 4.12Å
609	T	88.7	Confident	84.1	Confident	74 Å²	74	66 Å²	66	45%	0.454	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	175.3	-173.1	-168.6	0	0	0	0	112.4	E620 L621	T609-E620 CarbonylContact O-C 3.52Å; T609-E620 WeakPolarHBondContact O-CA 3.49Å; T609-L621 HydrophobicContact CG2-CB 3.99Å; T609-L621 HydrophobicContact CG2-CD2 4.2Å; T609-L621 PolarHBondContact N-O 3.44Å; T609-L621 PolarHBondContact O-N 2.82Å
610	V	87.8	Confident	85	Confident	66 Å²	66	58.4 Å²	58.4	40%	0.4	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122	171.9	174.4	0	0	0	0	108.9	V613 E620	V610-V613 HydrophobicContact CG1-CG2 4.12Å; V610-E620 HydrophobicContact CG2-CG 4.44Å
611	L	84.4	Confident	85.2	Confident	57 Å²	57	58.3 Å²	58.3	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-25.5	175.7	-65.6	175.9	0	0	0	112.6	V619 L621 A633	L611-V619 HydrophobicContact CB-CB 4.43Å; L611-V619 HydrophobicContact CB-CG1 4.19Å; L611-V619 HydrophobicContact CD1-CG1 4.27Å; L611-V619 PolarHBondContact N-O 2.93Å; L611-L621 HydrophobicContact CD1-CB 4.01Å; L611-L621 HydrophobicContact CD1-CD1 4.14Å; L611-L621 HydrophobicContact CD2-CB 3.96Å; L611-L621 HydrophobicContact CG-CB 3.83Å; L611-A633 HydrophobicContact CD1-CB 3.85Å
612	G	77.1	Confident	85.3	Confident	29 Å²	29	54.2 Å²	54.2	30%	0.299	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	160.6	178.7	0	0	0	0	0	113.6	V619	G612-V619 PolarHBondContact N-O 2.84Å; G612-V619 PolarHBondContact O-N 2.99Å
613	V	73.5	Confident	85.4	Confident	120 Å²	120	51.8 Å²	51.8	73%	0.727	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	122.6	174.4	-175.7	0	0	0	0	107.9	V610	V610-V613 HydrophobicContact CG1-CG2 4.12Å
614	G	65.5	Low	85.3	Confident	48 Å²	48	47.5 Å²	47.5	50%	0.495	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	174.2	179.9	0	0	0	0	0	111.8	F616 G617	G614-F616 PolarHBondContact O-N 3.04Å; G614-G617 PolarHBondContact N-O 3.4Å; G614-G617 PolarHBondContact O-N 2.78Å; G614-G617 VanDerWaalsContact O-N 3.1Å
615	G	60.3	Low	85.2	Confident	53 Å²	53	49.5 Å²	49.5	55%	0.546	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.2	-173.8	0	0	0	0	0	114.9	H641	G615-H641 PolarHBondContact O-NE2 3.47Å
616	F	65.4	Low	85	Confident	75 Å²	75	55.1 Å²	55.1	33%	0.329	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.3	-177.6	-58.1	-65.8	0	0	0	115.1	G614 M637 H641 Q647	G614-F616 PolarHBondContact O-N 3.04Å; F616-M637 HydrophobicContact CB-CG 4.24Å; F616-M637 HydrophobicContact CB-SD 4.27Å; F616-M637 WeakPolarHBondContact O-CA 3.34Å; F616-H641 AromaticContact CD1-CD2 3.77Å; F616-H641 AromaticContact CD1-NE2 3.77Å; F616-Q647 HydrophobicContact CE1-CB 4.38Å; F616-Q647 HydrophobicContact CE1-CG 3.74Å; F616-Q647 HydrophobicContact CZ-CG 4.05Å
617	G	73.4	Confident	84.7	Confident	23 Å²	23	55.6 Å²	55.6	24%	0.237	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-162.6	-169.3	0	0	0	0	0	116.9	G614 R636	G614-G617 PolarHBondContact N-O 3.4Å; G614-G617 PolarHBondContact O-N 2.78Å; G614-G617 VanDerWaalsContact O-N 3.1Å; G617-R636 VanDerWaalsContact CA-O 3.25Å; G617-R636 WeakPolarHBondContact CA-O 3.41Å
618	C	88.6	Confident	84.2	Confident	19 Å²	19	53.5 Å²	53.5	13%	0.128	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.3	-177.2	-169.1	0	0	0	0	109.5	R636	C618-R636 PolarHBondContact N-O 2.89Å; C618-R636 PolarHBondContact O-N 2.83Å
619	V	90.3	Very high	83.8	Confident	41 Å²	41	58.1 Å²	58.1	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.9	170.7	-172.9	0	0	0	0	107.8	L611 G612 A633 K635	L611-V619 HydrophobicContact CB-CB 4.43Å; L611-V619 HydrophobicContact CB-CG1 4.19Å; L611-V619 HydrophobicContact CD1-CG1 4.27Å; L611-V619 PolarHBondContact N-O 2.93Å; G612-V619 PolarHBondContact N-O 2.84Å; G612-V619 PolarHBondContact O-N 2.99Å; V619-A633 HydrophobicContact CG1-CB 3.96Å; V619-K635 HydrophobicContact CG2-CB 4.22Å; V619-K635 HydrophobicContact CG2-CG 4.26Å
620	E	93.1	Very high	83.9	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.093	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	-173.4	-66.9	168	-146.6	0	0	109.1	R607 T609 V610 V622 L634 R636	R607-E620 HydrophobicContact CG-CB 4.29Å; T609-E620 CarbonylContact O-C 3.52Å; T609-E620 WeakPolarHBondContact O-CA 3.49Å; V610-E620 HydrophobicContact CG2-CG 4.44Å; E620-V622 PolarHBondContact O-N 3.08Å; E620-L634 PolarHBondContact N-O 3.46Å; E620-L634 PolarHBondContact O-N 2.85Å; E620-R636 IonicContact OE1-CZ 3.68Å; E620-R636 IonicContact OE1-NE 2.65Å; E620-R636 PolarHBondContact OE1-NE 2.87Å; E620-R636 IonicContact OE1-NH2 3.96Å; E620-R636 PolarHBondContact OE1-NH2 2.78Å
621	L	94.1	Very high	84.1	Confident	4 Å²	4	56 Å²	56	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.5	168.9	-173.9	68.7	0	0	0	107.8	I608 T609 L611 A685 L687	I608-L621 HydrophobicContact CB-CB 4.39Å; I608-L621 HydrophobicContact CB-CD2 4.18Å; I608-L621 HydrophobicContact CB-CG 4.31Å; I608-L621 HydrophobicContact CD1-CD2 3.92Å; I608-L621 HydrophobicContact CD1-CG 4.01Å; I608-L621 HydrophobicContact CG2-CD2 4.17Å; I608-L621 PolarHBondContact N-O 2.68Å; T609-L621 HydrophobicContact CG2-CB 3.99Å; T609-L621 HydrophobicContact CG2-CD2 4.2Å; T609-L621 PolarHBondContact N-O 3.44Å; T609-L621 PolarHBondContact O-N 2.82Å; L611-L621 HydrophobicContact CD1-CB 4.01Å; L611-L621 HydrophobicContact CD1-CD1 4.14Å; L611-L621 HydrophobicContact CD2-CB 3.96Å; L611-L621 HydrophobicContact CG-CB 3.83Å; L621-A685 HydrophobicContact CD1-CB 3.99Å; L621-L687 HydrophobicContact CD1-CD2 4.03Å
622	V	95	Very high	84.6	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.3	179.7	-61.6	0	0	0	0	110.7	L605 E606 E620 T631 F632 L634 L682	L605-V622 HydrophobicContact CB-CB 4.2Å; L605-V622 HydrophobicContact CB-CG2 4.33Å; L605-V622 HydrophobicContact CD1-CG2 4.31Å; L605-V622 HydrophobicContact CD2-CB 4.45Å; L605-V622 HydrophobicContact CD2-CG2 3.9Å; L605-V622 HydrophobicContact CG-CG2 4.42Å; E606-V622 CarbonylContact O-C 3.51Å; E606-V622 VanDerWaalsContact O-CA 3.26Å; E606-V622 WeakPolarHBondContact O-CA 3.31Å; E620-V622 PolarHBondContact O-N 3.08Å; V622-T631 CarbonylContact O-C 3.56Å; V622-T631 VanDerWaalsContact O-CA 3.24Å; V622-T631 WeakPolarHBondContact O-CA 3.3Å; V622-F632 HydrophobicContact CG2-CB 3.91Å; V622-F632 WeakPolarHBondContact CG2-O 3.17Å; V622-F632 PolarHBondContact N-O 2.91Å; V622-F632 PolarHBondContact O-N 3.07Å; V622-L634 HydrophobicContact CG1-CB 3.89Å; V622-L634 HydrophobicContact CG1-CD2 4.04Å; V622-L634 HydrophobicContact CG2-CB 4.07Å; V622-L682 HydrophobicContact CG2-CD1 3.97Å
623	A	93.9	Very high	85.5	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.1	167.2	0	0	0	0	0	109.9	E606 I608 T625 T631	E606-A623 PolarHBondContact N-O 2.95Å; E606-A623 PolarHBondContact O-N 3.36Å; I608-A623 HydrophobicContact CD1-CB 3.9Å; I608-A623 HydrophobicContact CG1-CB 4.28Å; A623-T625 PolarHBondContact O-N 2.98Å; A623-T631 HydrophobicContact CB-CG2 4.4Å
624	W	93.2	Very high	86.5	Confident	51 Å²	51	47.3 Å²	47.3	19%	0.193	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.9	169.5	-174	34.6	0	0	0	109.6	I600 K626 N627 R628 K630 F632	I600-W624 HydrophobicContact CD1-CD2 4.22Å; I600-W624 HydrophobicContact CD1-CG 4.36Å; I600-W624 HydrophobicContact CG1-CD2 4.28Å; I600-W624 HydrophobicContact CG1-CZ2 4.27Å; W624-K626 HydrophobicContact CD2-CB 4.13Å; W624-K626 HydrophobicContact CH2-CB 4.49Å; W624-K626 HydrophobicContact CZ2-CB 3.92Å; W624-K626 HydrophobicContact CZ2-CD 4.07Å; W624-K626 PolarHBondContact O-N 3.02Å; W624-N627 HydrophobicContact CE3-CB 3.83Å; W624-N627 HydrophobicContact CZ3-CB 4.17Å; W624-N627 CarbonylContact O-C 3.52Å; W624-N627 PolarHBondContact O-N 2.9Å; W624-N627 VanDerWaalsContact O-O 3.08Å; W624-R628 WeakPolarHBondContact O-CA 3.22Å; W624-R628 PolarHBondContact O-N 3.11Å; W624-R628 VanDerWaalsContact O-N 3.14Å; W624-K630 HydrophobicContact CE3-CD 4.35Å; W624-K630 PolarHBondContact N-O 3.3Å; W624-F632 HydrophobicContact CB-CE2 4.1Å
625	T	91.7	Very high	87.9	Confident	65 Å²	65	46.3 Å²	46.3	40%	0.399	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.8	-175	55.3	0	0	0	0	112.8	D604 E606 A623 N627	D604-T625 WeakPolarHBondContact O-CG2 3.24Å; D604-T625 PolarHBondContact O-N 2.87Å; D604-T625 PolarHBondContact O-OG1 2.69Å; D604-T625 VanDerWaalsContact O-OG1 3.12Å; E606-T625 HydrophobicContact CB-CG2 3.94Å; A623-T625 PolarHBondContact O-N 2.98Å; T625-N627 VanDerWaalsContact C-N 3.29Å; T625-N627 PolarHBondContact O-N 3.44Å
626	K	89.5	Confident	89.5	Confident	141 Å²	141	47.2 Å²	47.2	61%	0.613	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.5	177.5	-66.1	170.9	177.2	156.5	0	113.7	D604 W624	D604-K626 WeakPolarHBondContact OD1-CE 3.39Å; D604-K626 IonicContact OD1-NZ 3.66Å; D604-K626 PolarHBondContact OD1-NZ 2.9Å; D604-K626 WeakPolarHBondContact OD2-CE 3.39Å; D604-K626 IonicContact OD2-NZ 2.87Å; D604-K626 PolarHBondContact OD2-NZ 2.9Å; W624-K626 HydrophobicContact CD2-CB 4.13Å; W624-K626 HydrophobicContact CH2-CB 4.49Å; W624-K626 HydrophobicContact CZ2-CB 3.92Å; W624-K626 HydrophobicContact CZ2-CD 4.07Å; W624-K626 PolarHBondContact O-N 3.02Å
627	N	88.3	Confident	90.9	Very high	65 Å²	65	43.8 Å²	43.8	35%	0.348	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	89.6	170.1	-176.3	-16.5	0	0	0	109.7	W624 T625 N629 K630	W624-N627 HydrophobicContact CE3-CB 3.83Å; W624-N627 HydrophobicContact CZ3-CB 4.17Å; W624-N627 CarbonylContact O-C 3.52Å; W624-N627 PolarHBondContact O-N 2.9Å; W624-N627 VanDerWaalsContact O-O 3.08Å; T625-N627 VanDerWaalsContact C-N 3.29Å; T625-N627 PolarHBondContact O-N 3.44Å; N627-N629 PolarHBondContact O-N 3.14Å; N627-N629 PolarHBondContact OD1-N 3.17Å; N627-K630 PolarHBondContact O-N 2.94Å
628	R	83.4	Confident	91.8	Very high	119 Å²	119	48.7 Å²	48.7	45%	0.449	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	-18.2	-174.6	-80.5	-177.2	158.9	-165.3	-7.4	114.8	E606 W624 K630	E606-R628 IonicContact OE1-NH2 3.96Å; E606-R628 IonicContact OE2-CZ 2.64Å; E606-R628 IonicContact OE2-NE 2.66Å; E606-R628 IonicContact OE2-NH2 3.36Å; E606-R628 PolarHBondContact OE2-NH2 2.83Å; W624-R628 WeakPolarHBondContact O-CA 3.22Å; W624-R628 PolarHBondContact O-N 3.11Å; W624-R628 VanDerWaalsContact O-N 3.14Å; R628-K630 PolarHBondContact O-N 3.46Å
629	N	83.7	Confident	92.1	Very high	145 Å²	145	51.1 Å²	51.1	78%	0.775	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	-11.2	174.6	-62	-3.1	0	0	0	112.8	N627	N627-N629 PolarHBondContact O-N 3.14Å; N627-N629 PolarHBondContact OD1-N 3.17Å
630	K	89.7	Confident	92.2	Very high	63 Å²	63	57.2 Å²	57.2	27%	0.274	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	107.9	170.8	-69.2	-160.4	174.1	-172.1	0	110	D593 F597 W624 N627 R628 F632	D593-K630 IonicContact OD1-NZ 3.22Å; F597-K630 HydrophobicContact CE1-CD 3.88Å; F597-K630 HydrophobicContact CZ-CD 4.29Å; F597-K630 VanDerWaalsContact CZ-NZ 3.35Å; W624-K630 HydrophobicContact CE3-CD 4.35Å; W624-K630 PolarHBondContact N-O 3.3Å; N627-K630 PolarHBondContact O-N 2.94Å; R628-K630 PolarHBondContact O-N 3.46Å; K630-F632 HydrophobicContact CB-CE2 3.95Å; K630-F632 HydrophobicContact CB-CZ 4.19Å
631	T	92.5	Very high	91.8	Very high	32 Å²	32	59.4 Å²	59.4	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	153.3	174.7	55.9	0	0	0	0	112	I608 V622 A623	I608-T631 HydrophobicContact CD1-CG2 3.88Å; V622-T631 CarbonylContact O-C 3.56Å; V622-T631 VanDerWaalsContact O-CA 3.24Å; V622-T631 WeakPolarHBondContact O-CA 3.3Å; A623-T631 HydrophobicContact CB-CG2 4.4Å
632	F	95.2	Very high	91.5	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.022	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.7	-175.6	-56.7	-89.7	0	0	0	110.5	F597 I600 V622 W624 K630 Y670 L682 L683	F597-F632 HydrophobicContact CD1-CE1 4.12Å; F597-F632 AromaticContact CD1-CZ 3.93Å; F597-F632 HydrophobicContact CD1-CZ 3.93Å; F597-F632 HydrophobicContact CE1-CE1 4.03Å; F597-F632 AromaticContact CE1-CZ 3.71Å; F597-F632 HydrophobicContact CE1-CZ 3.71Å; I600-F632 HydrophobicContact CD1-CE1 4.29Å; I600-F632 HydrophobicContact CD1-CE2 3.75Å; I600-F632 HydrophobicContact CD1-CZ 3.55Å; V622-F632 HydrophobicContact CG2-CB 3.91Å; V622-F632 WeakPolarHBondContact CG2-O 3.17Å; V622-F632 PolarHBondContact N-O 2.91Å; V622-F632 PolarHBondContact O-N 3.07Å; W624-F632 HydrophobicContact CB-CE2 4.1Å; K630-F632 HydrophobicContact CB-CE2 3.95Å; K630-F632 HydrophobicContact CB-CZ 4.19Å; F632-Y670 AromaticContact CD1-CD2 3.71Å; F632-Y670 HydrophobicContact CD1-CD2 3.71Å; F632-Y670 AromaticContact CD1-CE2 3.63Å; F632-Y670 HydrophobicContact CD1-CE2 3.63Å; F632-Y670 AromaticContact CE1-CD2 3.89Å; F632-Y670 HydrophobicContact CE1-CD2 3.89Å; F632-Y670 AromaticContact CE1-CE2 3.75Å; F632-Y670 HydrophobicContact CE1-CE2 3.75Å; F632-Y670 HydrophobicContact CE1-CG 4.42Å; F632-L682 HydrophobicContact CB-CD1 3.49Å; F632-L682 VanDerWaalsContact CB-CD1 3.49Å; F632-L682 HydrophobicContact CB-CG 3.99Å; F632-L682 HydrophobicContact CD1-CD2 4.24Å; F632-L682 HydrophobicContact CD1-CG 4.19Å; F632-L682 HydrophobicContact CG-CD1 3.99Å; F632-L682 HydrophobicContact CG-CD2 4.27Å; F632-L682 HydrophobicContact CG-CG 4.13Å; F632-L683 WeakPolarHBondContact CA-O 3.28Å; F632-L683 WeakPolarHBondContact CB-O 3.25Å
633	A	94.8	Very high	91.2	Very high	8 Å²	8	63.7 Å²	63.7	7%	0.066	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.9	170.3	0	0	0	0	0	110.2	L611 V619 L683	L611-A633 HydrophobicContact CD1-CB 3.85Å; V619-A633 HydrophobicContact CG1-CB 3.96Å; A633-L683 HydrophobicContact CB-CB 4.3Å; A633-L683 PolarHBondContact N-O 3.15Å; A633-L683 PolarHBondContact O-N 2.95Å
634	L	95.9	Very high	90.5	Very high	11 Å²	11	71.2 Å²	71.2	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	99.1	179.5	-172.2	65.6	0	0	0	110.3	L605 E620 V622 R636 Y673 Y680 M681 L682	L605-L634 HydrophobicContact CD1-CD1 4.47Å; E620-L634 PolarHBondContact N-O 3.46Å; E620-L634 PolarHBondContact O-N 2.85Å; V622-L634 HydrophobicContact CG1-CB 3.89Å; V622-L634 HydrophobicContact CG1-CD2 4.04Å; V622-L634 HydrophobicContact CG2-CB 4.07Å; L634-R636 PolarHBondContact O-N 3.48Å; L634-Y673 HydrophobicContact CD1-CD2 4.29Å; L634-Y673 HydrophobicContact CD1-CE2 4.31Å; L634-Y680 HydrophobicContact CD1-CD1 4.05Å; L634-Y680 HydrophobicContact CD2-CD1 3.99Å; L634-Y680 HydrophobicContact CD2-CE1 4.37Å; L634-Y680 HydrophobicContact CG-CD1 4Å; L634-M681 WeakPolarHBondContact CA-O 3.29Å; L634-L682 HydrophobicContact CD1-CB 4.46Å; L634-L682 HydrophobicContact CD1-CD1 4.03Å
635	K	94.2	Very high	89.6	Confident	28 Å²	28	70.7 Å²	70.7	12%	0.122	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	107.3	174.7	-179.7	178	-179.1	178	0	108.7	V619 M637 E654 Y680 M681 L683 D747	V619-K635 HydrophobicContact CG2-CB 4.22Å; V619-K635 HydrophobicContact CG2-CG 4.26Å; K635-M637 HydrophobicContact CD-CE 4.37Å; K635-M637 HydrophobicContact CD-SD 4.35Å; K635-M637 HydrophobicContact CG-CE 4.25Å; K635-M637 HydrophobicContact CG-CG 4.25Å; K635-M637 HydrophobicContact CG-SD 4.24Å; K635-E654 IonicContact NZ-OE1 2.96Å; K635-E654 PolarHBondContact NZ-OE1 2.82Å; K635-E654 IonicContact NZ-OE2 3.67Å; K635-Y680 WeakPolarHBondContact O-CA 3.44Å; K635-M681 HydrophobicContact CB-CB 4.26Å; K635-M681 HydrophobicContact CD-SD 4.28Å; K635-M681 PolarHBondContact N-O 3.1Å; K635-M681 PolarHBondContact O-N 3.09Å; K635-L683 HydrophobicContact CB-CD1 3.57Å; K635-L683 HydrophobicContact CD-CD1 4.41Å; K635-D747 IonicContact NZ-OD1 3.71Å; K635-D747 IonicContact NZ-OD2 3.02Å
636	R	94.1	Very high	89	Confident	72 Å²	72	75.7 Å²	75.7	27%	0.272	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.8	-177.9	175.4	175	62.3	110.4	-5.7	110.9	G617 C618 E620 L634 F678 Y680	G617-R636 VanDerWaalsContact CA-O 3.25Å; G617-R636 WeakPolarHBondContact CA-O 3.41Å; C618-R636 PolarHBondContact N-O 2.89Å; C618-R636 PolarHBondContact O-N 2.83Å; E620-R636 IonicContact OE1-CZ 3.68Å; E620-R636 IonicContact OE1-NE 2.65Å; E620-R636 PolarHBondContact OE1-NE 2.87Å; E620-R636 IonicContact OE1-NH2 3.96Å; E620-R636 PolarHBondContact OE1-NH2 2.78Å; L634-R636 PolarHBondContact O-N 3.48Å; R636-F678 HydrophobicContact CG-CB 4.25Å; R636-F678 HydrophobicContact CG-CD1 3.66Å; R636-F678 HydrophobicContact CG-CE1 4.21Å; R636-F678 HydrophobicContact CG-CG 4.03Å; R636-Y680 HydrophobicContact CB-CD1 3.96Å; R636-Y680 HydrophobicContact CB-CE1 3.96Å; R636-Y680 HydrophobicContact CG-CD1 4.04Å; R636-Y680 HydrophobicContact CG-CE1 3.6Å
637	M	93.5	Very high	88.6	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.9	-173.8	-60.1	174.4	-79.6	0	0	112.3	F616 K635 I642 I651 F678 V679 M681	F616-M637 HydrophobicContact CB-CG 4.24Å; F616-M637 HydrophobicContact CB-SD 4.27Å; F616-M637 WeakPolarHBondContact O-CA 3.34Å; K635-M637 HydrophobicContact CD-CE 4.37Å; K635-M637 HydrophobicContact CD-SD 4.35Å; K635-M637 HydrophobicContact CG-CE 4.25Å; K635-M637 HydrophobicContact CG-CG 4.25Å; K635-M637 HydrophobicContact CG-SD 4.24Å; M637-I642 HydrophobicContact CB-CD1 4.03Å; M637-I651 HydrophobicContact CE-CG2 4.31Å; M637-I651 HydrophobicContact SD-CD1 4.04Å; M637-F678 VanDerWaalsContact O-CA 3.28Å; M637-F678 WeakPolarHBondContact O-CA 3.46Å; M637-V679 HydrophobicContact CB-CG2 3.98Å; M637-V679 HydrophobicContact CE-CG2 4.14Å; M637-V679 PolarHBondContact N-O 3.44Å; M637-V679 PolarHBondContact O-N 3.12Å; M637-M681 HydrophobicContact CE-CE 3.93Å; M637-M681 HydrophobicContact CE-CG 4.23Å; M637-M681 HydrophobicContact CE-SD 3.7Å
638	K	93.4	Very high	88.5	Confident	127 Å²	127	71.5 Å²	71.5	55%	0.552	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.2	-176.7	-74.2	177.4	179.1	177.6	0	111.5	Q640 H641 I642 F678	K638-Q640 VanDerWaalsContact C-N 3.33Å; K638-Q640 PolarHBondContact O-N 2.91Å; K638-H641 HydrophobicContact CB-CB 4.03Å; K638-H641 PolarHBondContact O-N 3.5Å; K638-I642 WeakPolarHBondContact O-CG1 3.41Å; K638-I642 PolarHBondContact O-N 3.33Å; K638-I642 VanDerWaalsContact O-N 3.13Å; K638-F678 HydrophobicContact CG-CD1 4.06Å; K638-F678 HydrophobicContact CG-CE1 3.6Å
639	K	94.1	Very high	88.6	Confident	69 Å²	69	72.7 Å²	72.7	30%	0.3	34%	0.342	S	S	.	.	H	α-helix	trans	-54.8	-43.8	179	-74.7	-179.5	167.5	-176.3	0	113.6	H641 I642 V643 D675 K677 F678 V679	K639-H641 VanDerWaalsContact C-N 3.29Å; K639-H641 PolarHBondContact O-N 2.83Å; K639-I642 PolarHBondContact O-N 2.82Å; K639-V643 WeakPolarHBondContact O-CG2 3.21Å; K639-V643 PolarHBondContact O-N 2.87Å; K639-D675 VanDerWaalsContact CE-O 3.25Å; K639-D675 WeakPolarHBondContact CE-O 3.34Å; K639-D675 PolarHBondContact NZ-O 3.38Å; K639-K677 WeakPolarHBondContact CB-O 3.28Å; K639-K677 PolarHBondContact N-O 2.98Å; K639-F678 WeakPolarHBondContact CE-O 3.02Å; K639-V679 HydrophobicContact CG-CG1 4.11Å
640	Q	92.3	Very high	88.5	Confident	170 Å²	170	67 Å²	67	79%	0.794	31%	0.311	S	S	*	.	H	α-helix	trans	-59	-39.7	178.4	-174	-178.2	3.5	0	0	112.4	K638 H644	K638-Q640 VanDerWaalsContact C-N 3.33Å; K638-Q640 PolarHBondContact O-N 2.91Å; Q640-H644 WeakPolarHBondContact O-CB 3.42Å; Q640-H644 PolarHBondContact O-N 3.2Å
641	H	85.7	Confident	88.5	Confident	65 Å²	65	65.2 Å²	65.2	30%	0.301	30%	0.303	S	S	.	.	H	α-helix	trans	-72.1	-39.8	179.5	-178.1	78.4	0	0	0	111.8	G615 F616 K638 K639 V643 H644 T645	G615-H641 PolarHBondContact O-NE2 3.47Å; F616-H641 AromaticContact CD1-CD2 3.77Å; F616-H641 AromaticContact CD1-NE2 3.77Å; K638-H641 HydrophobicContact CB-CB 4.03Å; K638-H641 PolarHBondContact O-N 3.5Å; K639-H641 VanDerWaalsContact C-N 3.29Å; K639-H641 PolarHBondContact O-N 2.83Å; H641-V643 VanDerWaalsContact C-N 3.33Å; H641-V643 PolarHBondContact O-N 3.29Å; H641-H644 PolarHBondContact O-N 3.08Å; H641-T645 WeakPolarHBondContact O-CB 3.31Å; H641-T645 WeakPolarHBondContact O-CG2 3.35Å; H641-T645 PolarHBondContact O-N 3.43Å; H641-T645 PolarHBondContact O-OG1 3.21Å
642	I	87	Confident	88.5	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.051	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-46	173.9	-61.7	167.6	0	0	0	110.9	M637 K638 K639 T645 R646 Q647 Q648 I651 V679	M637-I642 HydrophobicContact CB-CD1 4.03Å; K638-I642 WeakPolarHBondContact O-CG1 3.41Å; K638-I642 PolarHBondContact O-N 3.33Å; K638-I642 VanDerWaalsContact O-N 3.13Å; K639-I642 PolarHBondContact O-N 2.82Å; I642-T645 PolarHBondContact O-N 3.3Å; I642-T645 PolarHBondContact O-OG1 2.8Å; I642-R646 PolarHBondContact O-N 3.3Å; I642-Q647 HydrophobicContact CG2-CB 4.38Å; I642-Q647 PolarHBondContact O-N 3.33Å; I642-Q648 HydrophobicContact CG2-CG 4.2Å; I642-Q648 PolarHBondContact O-OE1 3.01Å; I642-I651 HydrophobicContact CB-CD1 4.28Å; I642-I651 HydrophobicContact CD1-CD1 3.47Å; I642-I651 VanDerWaalsContact CD1-CD1 3.47Å; I642-I651 HydrophobicContact CG1-CD1 3.49Å; I642-I651 VanDerWaalsContact CG1-CD1 3.49Å; I642-I651 HydrophobicContact CG2-CD1 3.82Å; I642-V679 HydrophobicContact CD1-CG2 3.61Å
643	V	88.5	Confident	88.2	Confident	87 Å²	87	69 Å²	69	53%	0.527	33%	0.331	S	S	.	.	H	α-helix	trans	-66.7	-45.4	178.2	174	0	0	0	0	111.3	K639 H641 T645 R646 Q648	K639-V643 WeakPolarHBondContact O-CG2 3.21Å; K639-V643 PolarHBondContact O-N 2.87Å; H641-V643 VanDerWaalsContact C-N 3.33Å; H641-V643 PolarHBondContact O-N 3.29Å; V643-T645 VanDerWaalsContact C-N 3.27Å; V643-T645 PolarHBondContact O-N 3.28Å; V643-R646 PolarHBondContact O-N 3.21Å; V643-Q648 HydrophobicContact CG2-CG 4.42Å
644	H	80.8	Confident	88.1	Confident	160 Å²	160	68.9 Å²	68.9	74%	0.741	33%	0.329	S	S	*	.	H	α-helix	trans	-61.7	-33.8	179.1	-176.2	71.7	0	0	0	113	Q640 H641	Q640-H644 WeakPolarHBondContact O-CB 3.42Å; Q640-H644 PolarHBondContact O-N 3.2Å; H641-H644 PolarHBondContact O-N 3.08Å
645	T	74.2	Confident	88	Confident	40 Å²	40	73.1 Å²	73.1	25%	0.245	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.7	178.9	53.9	0	0	0	0	114.3	H641 I642 V643 Q647	H641-T645 WeakPolarHBondContact O-CB 3.31Å; H641-T645 WeakPolarHBondContact O-CG2 3.35Å; H641-T645 PolarHBondContact O-N 3.43Å; H641-T645 PolarHBondContact O-OG1 3.21Å; I642-T645 PolarHBondContact O-N 3.3Å; I642-T645 PolarHBondContact O-OG1 2.8Å; V643-T645 VanDerWaalsContact C-N 3.27Å; V643-T645 PolarHBondContact O-N 3.28Å; T645-Q647 VanDerWaalsContact C-N 3.28Å; T645-Q647 PolarHBondContact O-N 3.44Å; T645-Q647 PolarHBondContact O-NE2 2.91Å; T645-Q647 WeakPolarHBondContact OG1-CG 3.27Å
646	R	78.9	Confident	88	Confident	170 Å²	170	76.1 Å²	76.1	64%	0.642	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.5	-175.9	-59.2	-173.5	178.6	-177.5	0.1	114.5	E286 I642 V643	E286-R646 IonicContact OE1-NH1 2.76Å; E286-R646 PolarHBondContact OE1-NH1 3.41Å; I642-R646 PolarHBondContact O-N 3.3Å; V643-R646 PolarHBondContact O-N 3.21Å
647	Q	79.6	Confident	88.1	Confident	37 Å²	37	73 Å²	73	17%	0.173	35%	0.347	C	S	.	.			trans	-97.6	14.1	-175.9	-58.8	-60.5	-49.1	0	0	114.2	F616 I642 T645 E649 H650 I651	F616-Q647 HydrophobicContact CE1-CB 4.38Å; F616-Q647 HydrophobicContact CE1-CG 3.74Å; F616-Q647 HydrophobicContact CZ-CG 4.05Å; I642-Q647 HydrophobicContact CG2-CB 4.38Å; I642-Q647 PolarHBondContact O-N 3.33Å; T645-Q647 VanDerWaalsContact C-N 3.28Å; T645-Q647 PolarHBondContact O-N 3.44Å; T645-Q647 PolarHBondContact O-NE2 2.91Å; T645-Q647 WeakPolarHBondContact OG1-CG 3.27Å; Q647-E649 PolarHBondContact O-N 2.81Å; Q647-H650 PolarHBondContact O-N 3.23Å; Q647-H650 PolarHBondContact OE1-ND1 3.44Å; Q647-I651 PolarHBondContact O-N 3.07Å; Q647-I651 VanDerWaalsContact O-N 3.12Å
648	Q	88	Confident	88.2	Confident	82 Å²	82	73 Å²	73	38%	0.383	35%	0.347	S	S	.	.	H	α-helix	trans	-56	-47.7	-177.4	-63.5	90.1	-45.5	0	0	112	I642 V643 I651 C652	I642-Q648 HydrophobicContact CG2-CG 4.2Å; I642-Q648 PolarHBondContact O-OE1 3.01Å; V643-Q648 HydrophobicContact CG2-CG 4.42Å; Q648-I651 PolarHBondContact O-N 2.83Å; Q648-C652 WeakPolarHBondContact O-CB 3.39Å; Q648-C652 PolarHBondContact O-N 3.22Å; Q648-C652 PolarHBondContact O-SG 3.04Å; Q648-C652 VanDerWaalsContact O-SG 3.38Å
649	E	84.3	Confident	88.3	Confident	144 Å²	144	69.2 Å²	69.2	67%	0.673	33%	0.333	S	S	*	.	H	α-helix	trans	-67.5	-41.9	-177.5	-66	-173.8	175.4	0	0	112.1	Q647 I651 C652 S653	Q647-E649 PolarHBondContact O-N 2.81Å; E649-I651 PolarHBondContact O-N 2.96Å; E649-C652 PolarHBondContact O-N 2.81Å; E649-S653 WeakPolarHBondContact O-CB 3.34Å; E649-S653 PolarHBondContact O-N 3.19Å
650	H	82.3	Confident	88.2	Confident	26 Å²	26	69.6 Å²	69.6	12%	0.12	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-42.1	177.4	-66.3	156.5	0	0	0	111.8	S284 Q647 S653 E654	S284-H650 PolarHBondContact OG-CE1 2.78Å; S284-H650 VanDerWaalsContact OG-CE1 3.31Å; Q647-H650 PolarHBondContact O-N 3.23Å; Q647-H650 PolarHBondContact OE1-ND1 3.44Å; H650-S653 PolarHBondContact O-N 3.25Å; H650-E654 WeakPolarHBondContact O-CB 3.09Å; H650-E654 PolarHBondContact O-N 2.97Å
651	I	89.8	Confident	88.3	Confident	24 Å²	24	61.8 Å²	61.8	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-71.1	-34.5	177.3	-68.8	176.5	0	0	0	112.2	M637 I642 Q647 Q648 E649 R655 M681	M637-I651 HydrophobicContact CE-CG2 4.31Å; M637-I651 HydrophobicContact SD-CD1 4.04Å; I642-I651 HydrophobicContact CB-CD1 4.28Å; I642-I651 HydrophobicContact CD1-CD1 3.47Å; I642-I651 VanDerWaalsContact CD1-CD1 3.47Å; I642-I651 HydrophobicContact CG1-CD1 3.49Å; I642-I651 VanDerWaalsContact CG1-CD1 3.49Å; I642-I651 HydrophobicContact CG2-CD1 3.82Å; Q647-I651 PolarHBondContact O-N 3.07Å; Q647-I651 VanDerWaalsContact O-N 3.12Å; Q648-I651 PolarHBondContact O-N 2.83Å; E649-I651 PolarHBondContact O-N 2.96Å; I651-R655 WeakPolarHBondContact O-CB 3.37Å; I651-R655 PolarHBondContact O-N 3.41Å; I651-M681 HydrophobicContact CG2-CE 4.09Å
652	C	92.1	Very high	88.6	Confident	78 Å²	78	63.3 Å²	63.3	53%	0.527	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-39.9	171.3	-75.5	0	0	0	0	111.9	Q648 E649 Q656	Q648-C652 WeakPolarHBondContact O-CB 3.39Å; Q648-C652 PolarHBondContact O-N 3.22Å; Q648-C652 PolarHBondContact O-SG 3.04Å; Q648-C652 VanDerWaalsContact O-SG 3.38Å; E649-C652 PolarHBondContact O-N 2.81Å; C652-Q656 WeakPolarHBondContact O-CB 3.41Å; C652-Q656 PolarHBondContact O-N 3.3Å
653	S	88	Confident	88.9	Confident	39 Å²	39	63.7 Å²	63.7	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-50.2	175.7	-174.1	0	0	0	0	111.9	E649 H650 R655 Q656 I657	E649-S653 WeakPolarHBondContact O-CB 3.34Å; E649-S653 PolarHBondContact O-N 3.19Å; H650-S653 PolarHBondContact O-N 3.25Å; S653-R655 VanDerWaalsContact C-N 3.31Å; S653-R655 PolarHBondContact O-N 3.12Å; S653-Q656 PolarHBondContact O-N 3.1Å; S653-Q656 VanDerWaalsContact O-N 3.12Å; S653-I657 WeakPolarHBondContact O-CB 3.5Å; S653-I657 WeakPolarHBondContact O-CG1 3.38Å; S653-I657 PolarHBondContact O-N 3.4Å
654	E	93.1	Very high	89.3	Confident	5 Å²	5	63 Å²	63	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-50.9	-51.1	174.7	-178.8	-172.7	-171.9	0	0	110.2	K635 H650 Q656 M658 M681 F748	K635-E654 IonicContact NZ-OE1 2.96Å; K635-E654 PolarHBondContact NZ-OE1 2.82Å; K635-E654 IonicContact NZ-OE2 3.67Å; H650-E654 WeakPolarHBondContact O-CB 3.09Å; H650-E654 PolarHBondContact O-N 2.97Å; E654-Q656 PolarHBondContact O-N 3.25Å; E654-M658 HydrophobicContact CG-SD 4.04Å; E654-M658 WeakPolarHBondContact O-CB 3.19Å; E654-M658 WeakPolarHBondContact O-CG 3.41Å; E654-M658 PolarHBondContact O-N 2.89Å; E654-M681 HydrophobicContact CB-CE 4.36Å; E654-M681 HydrophobicContact CG-CE 4.07Å; E654-F748 HydrophobicContact CG-CB 4.01Å
655	R	94.7	Very high	90	Very high	101 Å²	101	55.7 Å²	55.7	38%	0.381	27%	0.269	S	S	.	.	H	α-helix	trans	-58.1	-50.8	176.6	-175.9	-168.8	73.2	159.4	6.2	112.3	I651 S653 L659 L669 T672 M681	I651-R655 WeakPolarHBondContact O-CB 3.37Å; I651-R655 PolarHBondContact O-N 3.41Å; S653-R655 VanDerWaalsContact C-N 3.31Å; S653-R655 PolarHBondContact O-N 3.12Å; R655-L659 HydrophobicContact CG-CD1 3.88Å; R655-L659 HydrophobicContact CG-CG 4.39Å; R655-L659 WeakPolarHBondContact O-CB 3.4Å; R655-L659 VanDerWaalsContact O-CG 3.3Å; R655-L659 WeakPolarHBondContact O-CG 3.49Å; R655-L659 PolarHBondContact O-N 3.43Å; R655-L659 VanDerWaalsContact O-N 3.08Å; R655-L669 HydrophobicContact CG-CD2 4.41Å; R655-T672 HydrophobicContact CG-CG2 3.7Å; R655-M681 HydrophobicContact CB-CE 4.01Å
656	Q	94.4	Very high	91.2	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-46.9	-174.7	-172.2	63	35.8	0	0	110.8	C652 S653 E654 E660	C652-Q656 WeakPolarHBondContact O-CB 3.41Å; C652-Q656 PolarHBondContact O-N 3.3Å; S653-Q656 PolarHBondContact O-N 3.1Å; S653-Q656 VanDerWaalsContact O-N 3.12Å; E654-Q656 PolarHBondContact O-N 3.25Å; Q656-E660 PolarHBondContact NE2-OE1 3.21Å; Q656-E660 WeakPolarHBondContact O-CG 3.5Å
657	I	94.8	Very high	92	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-59.6	176.3	-72.3	170.6	0	0	0	109.8	S653 L659 E660 L661 I725 F748 A751	S653-I657 WeakPolarHBondContact O-CB 3.5Å; S653-I657 WeakPolarHBondContact O-CG1 3.38Å; S653-I657 PolarHBondContact O-N 3.4Å; I657-L659 VanDerWaalsContact C-N 3.3Å; I657-L659 PolarHBondContact O-N 2.83Å; I657-E660 WeakPolarHBondContact O-CB 3.26Å; I657-E660 PolarHBondContact O-N 3.4Å; I657-L661 HydrophobicContact CG2-CD1 3.97Å; I657-L661 HydrophobicContact CG2-CD2 4.26Å; I657-L661 HydrophobicContact CG2-CG 4.23Å; I657-L661 WeakPolarHBondContact O-CG 3.38Å; I657-L661 PolarHBondContact O-N 3.25Å; I657-I725 HydrophobicContact CD1-CG2 4.34Å; I657-I725 HydrophobicContact CG2-CD1 4.24Å; I657-I725 HydrophobicContact CG2-CG2 4.28Å; I657-F748 HydrophobicContact CG2-CD1 3.92Å; I657-A751 HydrophobicContact CD1-CB 4.02Å; I657-A751 WeakPolarHBondContact CD1-O 3.4Å
658	M	96.3	Very high	92.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-29.8	-171.3	-68.8	-170.2	77.8	0	0	114.1	E654 E660 L661 C667 L669 L683 F748	E654-M658 HydrophobicContact CG-SD 4.04Å; E654-M658 WeakPolarHBondContact O-CB 3.19Å; E654-M658 WeakPolarHBondContact O-CG 3.41Å; E654-M658 PolarHBondContact O-N 2.89Å; M658-E660 PolarHBondContact O-N 2.92Å; M658-L661 PolarHBondContact O-N 3.44Å; M658-C667 VanDerWaalsContact CE-O 3.25Å; M658-C667 WeakPolarHBondContact CE-O 3.34Å; M658-L669 HydrophobicContact CB-CB 3.64Å; M658-L669 HydrophobicContact CB-CD2 3.69Å; M658-L669 HydrophobicContact CB-CG 4.32Å; M658-L669 HydrophobicContact CE-CB 4.42Å; M658-L683 HydrophobicContact CE-CD2 3.64Å; M658-L683 HydrophobicContact SD-CD2 4.39Å; M658-F748 HydrophobicContact CE-CD2 3.8Å; M658-F748 HydrophobicContact CE-CE2 4.24Å; M658-F748 HydrophobicContact CG-CB 3.65Å; M658-F748 HydrophobicContact CG-CD1 4.41Å; M658-F748 HydrophobicContact CG-CD2 3.73Å; M658-F748 HydrophobicContact CG-CG 3.66Å; M658-F748 HydrophobicContact SD-CB 3.88Å; M658-F748 HydrophobicContact SD-CD2 3.7Å; M658-F748 HydrophobicContact SD-CG 4.06Å
659	L	94.6	Very high	93.2	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-63.6	-28	174.7	-79.1	173.9	0	0	0	112.6	R655 I657 R662 L669	R655-L659 HydrophobicContact CG-CD1 3.88Å; R655-L659 HydrophobicContact CG-CG 4.39Å; R655-L659 WeakPolarHBondContact O-CB 3.4Å; R655-L659 VanDerWaalsContact O-CG 3.3Å; R655-L659 WeakPolarHBondContact O-CG 3.49Å; R655-L659 PolarHBondContact O-N 3.43Å; R655-L659 VanDerWaalsContact O-N 3.08Å; I657-L659 VanDerWaalsContact C-N 3.3Å; I657-L659 PolarHBondContact O-N 2.83Å; L659-R662 PolarHBondContact O-NH1 2.98Å; L659-R662 PolarHBondContact O-NH2 3.36Å; L659-L669 HydrophobicContact CD2-CD2 4.07Å; L659-L669 HydrophobicContact CD2-CG 3.93Å; L659-L669 HydrophobicContact CG-CD2 3.85Å; L659-L669 HydrophobicContact CG-CG 4.27Å
660	E	93.3	Very high	93.7	Very high	77 Å²	77	37.9 Å²	37.9	36%	0.36	19%	0.188	S	C	.	.	H	α-helix	trans	-87.2	-24	-178.6	-65.4	167.1	-172.6	0	0	112.9	Q656 I657 M658 R753	Q656-E660 PolarHBondContact NE2-OE1 3.21Å; Q656-E660 WeakPolarHBondContact O-CG 3.5Å; I657-E660 WeakPolarHBondContact O-CB 3.26Å; I657-E660 PolarHBondContact O-N 3.4Å; M658-E660 PolarHBondContact O-N 2.92Å; E660-R753 IonicContact OE2-CZ 3.9Å; E660-R753 IonicContact OE2-NE 3.23Å; E660-R753 IonicContact OE2-NH2 3.53Å; E660-R753 PolarHBondContact OE2-NH2 3.35Å
661	L	94.1	Very high	94.3	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	19%	0.188	C	C	.	.			trans	-71.9	131.7	-172.2	-54.7	-178.6	0	0	0	113.4	I657 M658 I666 Y719 L720 I725 F748	I657-L661 HydrophobicContact CG2-CD1 3.97Å; I657-L661 HydrophobicContact CG2-CD2 4.26Å; I657-L661 HydrophobicContact CG2-CG 4.23Å; I657-L661 WeakPolarHBondContact O-CG 3.38Å; I657-L661 PolarHBondContact O-N 3.25Å; M658-L661 PolarHBondContact O-N 3.44Å; L661-I666 HydrophobicContact CB-CG2 4.38Å; L661-I666 HydrophobicContact CD1-CD1 4.18Å; L661-I666 HydrophobicContact CD1-CG2 3.82Å; L661-Y719 HydrophobicContact CB-CE1 4.26Å; L661-Y719 HydrophobicContact CD2-CD1 4.44Å; L661-Y719 HydrophobicContact CD2-CE1 3.86Å; L661-L720 HydrophobicContact CD1-CD2 3.89Å; L661-L720 HydrophobicContact CD2-CD2 3.72Å; L661-L720 HydrophobicContact CG-CD2 4.48Å; L661-I725 HydrophobicContact CD2-CD1 3.84Å; L661-F748 HydrophobicContact CD1-CD1 3.96Å; L661-F748 HydrophobicContact CD1-CE1 3.45Å; L661-F748 VanDerWaalsContact CD1-CE1 3.45Å; L661-F748 HydrophobicContact CD1-CE2 4.38Å; L661-F748 HydrophobicContact CD1-CZ 3.69Å
662	R	92.6	Very high	94.5	Very high	96 Å²	96	38.5 Å²	38.5	36%	0.362	20%	0.196	S	C	.	.			trans	-134.4	75.8	179.1	-58.2	-65	176.3	-95.2	-6.8	110.1	L659 Y719	L659-R662 PolarHBondContact O-NH1 2.98Å; L659-R662 PolarHBondContact O-NH2 3.36Å; R662-Y719 PolarHBondContact N-OH 3.4Å; R662-Y719 VanDerWaalsContact O-CE2 3.25Å; R662-Y719 WeakPolarHBondContact O-CE2 3.38Å
663	C	93.4	Very high	94.7	Very high	19 Å²	19	36.6 Å²	36.6	13%	0.128	18%	0.178	C	C	.	.			trans	-137.7	134	-179.4	-178.6	0	0	0	0	109.7	F665 I666 Y719	C663-F665 PolarHBondContact O-N 3.48Å; C663-I666 HydrophobicContact CB-CB 4.12Å; C663-I666 HydrophobicContact CB-CD1 3.8Å; C663-I666 HydrophobicContact CB-CG1 3.89Å; C663-I666 PolarHBondContact O-N 2.92Å; C663-Y719 HydrophobicContact CB-CD1 3.92Å; C663-Y719 HydrophobicContact CB-CD2 4.02Å; C663-Y719 HydrophobicContact CB-CE1 4.34Å; C663-Y719 HydrophobicContact CB-CE2 4.43Å; C663-Y719 HydrophobicContact CB-CG 3.75Å
664	P	95.2	Very high	95.1	Very high	72 Å²	72	42.8 Å²	42.8	47%	0.468	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.4	177.1	-26.1	35.5	0	0	0	113.9	I666 K744	P664-I666 VanDerWaalsContact C-N 3.29Å; P664-I666 PolarHBondContact O-N 3.08Å; P664-K744 PolarHBondContact O-NZ 3.33Å
665	F	97.1	Very high	95.2	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.026	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	15.1	-177.1	-50.2	-83.7	0	0	0	113.4	C663 C712 E715 A716 Y742 K744 L745 L873	C663-F665 PolarHBondContact O-N 3.48Å; F665-C712 HydrophobicContact CD1-CB 3.82Å; F665-C712 HydrophobicContact CE1-CB 4.34Å; F665-E715 HydrophobicContact CB-CB 4.47Å; F665-E715 HydrophobicContact CD1-CB 4.36Å; F665-E715 HydrophobicContact CD2-CB 3.33Å; F665-E715 HydrophobicContact CD2-CG 4.08Å; F665-E715 HydrophobicContact CE1-CB 4.47Å; F665-E715 HydrophobicContact CE1-CG 4.49Å; F665-E715 HydrophobicContact CE2-CB 3.5Å; F665-E715 VanDerWaalsContact CE2-CB 3.5Å; F665-E715 HydrophobicContact CE2-CG 3.7Å; F665-E715 HydrophobicContact CG-CB 3.81Å; F665-E715 HydrophobicContact CZ-CB 4.08Å; F665-E715 HydrophobicContact CZ-CG 3.93Å; F665-A716 HydrophobicContact CB-CB 3.88Å; F665-A716 WeakPolarHBondContact O-CB 3.4Å; F665-Y742 AromaticContact CE1-CD1 3.88Å; F665-Y742 HydrophobicContact CE1-CD1 3.88Å; F665-Y742 HydrophobicContact CE1-CE1 4.18Å; F665-K744 WeakPolarHBondContact O-CA 3.45Å; F665-L745 PolarHBondContact O-N 3.26Å; F665-L873 HydrophobicContact CE1-CD1 4.33Å; F665-L873 HydrophobicContact CE1-CD2 4.3Å; F665-L873 HydrophobicContact CE1-CG 4.03Å; F665-L873 HydrophobicContact CZ-CD2 4.38Å; F665-L873 HydrophobicContact CZ-CG 4.07Å
666	I	98.1	Very high	95.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-129.9	132.3	176	-62.5	179.5	0	0	0	108	L661 C663 P664 R668 A716 Y719 L720 L745 F748	L661-I666 HydrophobicContact CB-CG2 4.38Å; L661-I666 HydrophobicContact CD1-CD1 4.18Å; L661-I666 HydrophobicContact CD1-CG2 3.82Å; C663-I666 HydrophobicContact CB-CB 4.12Å; C663-I666 HydrophobicContact CB-CD1 3.8Å; C663-I666 HydrophobicContact CB-CG1 3.89Å; C663-I666 PolarHBondContact O-N 2.92Å; P664-I666 VanDerWaalsContact C-N 3.29Å; P664-I666 PolarHBondContact O-N 3.08Å; I666-R668 PolarHBondContact O-N 3.38Å; I666-A716 HydrophobicContact CD1-CB 4.38Å; I666-A716 HydrophobicContact CG1-CB 3.88Å; I666-Y719 HydrophobicContact CD1-CD1 4.02Å; I666-L720 HydrophobicContact CD1-CD1 4.17Å; I666-L720 HydrophobicContact CD1-CD2 3.94Å; I666-L720 HydrophobicContact CD1-CG 3.83Å; I666-L745 HydrophobicContact CG1-CB 4.44Å; I666-F748 HydrophobicContact CD1-CZ 4.37Å; I666-F748 HydrophobicContact CG1-CZ 4.48Å; I666-F748 HydrophobicContact CG2-CE2 3.74Å; I666-F748 HydrophobicContact CG2-CZ 3.55Å
667	C	96.8	Very high	95.3	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.047	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-65.2	124	175.8	173.6	0	0	0	0	110.4	M658 L745 C746	M658-C667 VanDerWaalsContact CE-O 3.25Å; M658-C667 WeakPolarHBondContact CE-O 3.34Å; C667-L745 WeakPolarHBondContact CB-O 3.48Å; C667-L745 PolarHBondContact N-O 3.26Å; C667-C746 HydrophobicContact CB-CB 4.4Å; C667-C746 WeakPolarHBondContact CB-SG 3.24Å
668	R	95.8	Very high	95.4	Very high	40 Å²	40	52.4 Å²	52.4	15%	0.151	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-79.7	132	-171.9	-177.9	168.1	-179.9	140.8	3.5	112.5	S594 I666 Y670 L683 E684	S594-R668 PolarHBondContact OG-NH2 3Å; I666-R668 PolarHBondContact O-N 3.38Å; R668-Y670 HydrophobicContact CG-CD1 4.3Å; R668-Y670 HydrophobicContact CG-CE1 4.12Å; R668-L683 CarbonylContact O-C 3.25Å; R668-L683 VanDerWaalsContact O-CA 3.22Å; R668-L683 WeakPolarHBondContact O-CA 3.41Å; R668-E684 HydrophobicContact CB-CB 4.19Å; R668-E684 PolarHBondContact N-OE2 3.44Å; R668-E684 PolarHBondContact O-N 2.89Å
669	L	95.7	Very high	95.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.4	161.6	-179.4	59.5	0	0	0	109.6	R655 M658 L659 C671 T672 M681 L683	R655-L669 HydrophobicContact CG-CD2 4.41Å; M658-L669 HydrophobicContact CB-CB 3.64Å; M658-L669 HydrophobicContact CB-CD2 3.69Å; M658-L669 HydrophobicContact CB-CG 4.32Å; M658-L669 HydrophobicContact CE-CB 4.42Å; L659-L669 HydrophobicContact CD2-CD2 4.07Å; L659-L669 HydrophobicContact CD2-CG 3.93Å; L659-L669 HydrophobicContact CG-CD2 3.85Å; L659-L669 HydrophobicContact CG-CG 4.27Å; L669-C671 WeakPolarHBondContact CD1-O 3.5Å; L669-T672 HydrophobicContact CD1-CG2 4.32Å; L669-T672 HydrophobicContact CD2-CG2 4.24Å; L669-M681 HydrophobicContact CD1-CB 3.66Å; L669-M681 HydrophobicContact CD1-CG 4.08Å; L669-L683 HydrophobicContact CD1-CD2 4.36Å; L669-L683 HydrophobicContact CD1-CG 4.14Å
670	Y	94.7	Very high	95.4	Very high	48 Å²	48	52.5 Å²	52.5	19%	0.188	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-50.4	178.9	-64.8	-76.5	0	0	0	112.3	F597 F632 R668 L682 E684	F597-Y670 HydrophobicContact CB-CD1 3.81Å; F597-Y670 HydrophobicContact CB-CG 4.26Å; F597-Y670 AromaticContact CD2-CD1 3.46Å; F597-Y670 HydrophobicContact CD2-CD1 3.46Å; F597-Y670 VanDerWaalsContact CD2-CD1 3.46Å; F597-Y670 AromaticContact CD2-CE1 3.5Å; F597-Y670 HydrophobicContact CD2-CE1 3.5Å; F597-Y670 HydrophobicContact CE2-CD1 4.14Å; F597-Y670 AromaticContact CE2-CE1 3.69Å; F597-Y670 HydrophobicContact CE2-CE1 3.69Å; F597-Y670 AromaticContact CG-CD1 3.71Å; F597-Y670 HydrophobicContact CG-CD1 3.71Å; F597-Y670 HydrophobicContact CG-CE1 4.1Å; F597-Y670 HydrophobicContact CG-CG 4.42Å; F597-Y670 HydrophobicContact CZ-CE1 4.42Å; F632-Y670 AromaticContact CD1-CD2 3.71Å; F632-Y670 HydrophobicContact CD1-CD2 3.71Å; F632-Y670 AromaticContact CD1-CE2 3.63Å; F632-Y670 HydrophobicContact CD1-CE2 3.63Å; F632-Y670 AromaticContact CE1-CD2 3.89Å; F632-Y670 HydrophobicContact CE1-CD2 3.89Å; F632-Y670 AromaticContact CE1-CE2 3.75Å; F632-Y670 HydrophobicContact CE1-CE2 3.75Å; F632-Y670 HydrophobicContact CE1-CG 4.42Å; R668-Y670 HydrophobicContact CG-CD1 4.3Å; R668-Y670 HydrophobicContact CG-CE1 4.12Å; Y670-L682 PolarHBondContact N-O 3.41Å; Y670-E684 HydrophobicContact CE2-CB 4.21Å
671	C	95	Very high	95.5	Very high	17 Å²	17	49.1 Å²	49.1	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	175.6	-178.3	60.9	0	0	0	0	111.3	L669 Y673 L682	L669-C671 WeakPolarHBondContact CD1-O 3.5Å; C671-Y673 PolarHBondContact SG-OH 3.04Å; C671-Y673 VanDerWaalsContact SG-OH 3.33Å; C671-L682 PolarHBondContact O-N 3.09Å
672	T	95.6	Very high	95.6	Very high	47 Å²	47	48.8 Å²	48.8	29%	0.288	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145	177	60.5	0	0	0	0	112.4	R655 L669 Y680 M681	R655-T672 HydrophobicContact CG-CG2 3.7Å; L669-T672 HydrophobicContact CD1-CG2 4.32Å; L669-T672 HydrophobicContact CD2-CG2 4.24Å; T672-Y680 CarbonylContact C-O 3.54Å; T672-Y680 WeakPolarHBondContact CA-O 3.24Å; T672-Y680 WeakPolarHBondContact CB-O 3.27Å; T672-M681 HydrophobicContact CG2-CG 3.87Å
673	Y	96.1	Very high	95.7	Very high	38 Å²	38	45 Å²	45	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	164.7	174.9	-41.5	-78.6	0	0	0	111.3	I600 K602 L605 L634 C671 Y680 L682	I600-Y673 WeakPolarHBondContact CG2-OH 3.44Å; I600-Y673 WeakPolarHBondContact O-CE1 3.3Å; I600-Y673 PolarHBondContact O-OH 3.29Å; K602-Y673 HydrophobicContact CB-CD1 3.84Å; K602-Y673 HydrophobicContact CB-CD2 4.12Å; K602-Y673 HydrophobicContact CB-CE1 4.05Å; K602-Y673 HydrophobicContact CB-CE2 4.32Å; K602-Y673 HydrophobicContact CB-CG 3.87Å; K602-Y673 HydrophobicContact CG-CD2 4.15Å; K602-Y673 HydrophobicContact CG-CG 4.17Å; L605-Y673 HydrophobicContact CD1-CE2 3.92Å; L634-Y673 HydrophobicContact CD1-CD2 4.29Å; L634-Y673 HydrophobicContact CD1-CE2 4.31Å; C671-Y673 PolarHBondContact SG-OH 3.04Å; C671-Y673 VanDerWaalsContact SG-OH 3.33Å; Y673-Y680 PolarHBondContact N-O 3.28Å; Y673-Y680 PolarHBondContact O-N 2.93Å; Y673-L682 HydrophobicContact CE2-CB 4.16Å
674	K	95.5	Very high	95.7	Very high	168 Å²	168	46.3 Å²	46.3	73%	0.73	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.1	173.3	65.6	-175.4	-178.5	-179.6	0	110.3	F678 V679	K674-F678 WeakPolarHBondContact CA-O 3.5Å; K674-V679 HydrophobicContact CB-CG1 4.32Å
675	D	95.9	Very high	95.6	Very high	48 Å²	48	43.8 Å²	43.8	26%	0.257	21%	0.212	S	C	.	.			trans	-133.5	-168.5	166.3	62.2	44.2	0	0	0	110	K602 K639 K677 F678 Y680	K602-D675 IonicContact NZ-OD2 3.75Å; K602-D675 PolarHBondContact NZ-OD2 3.01Å; K639-D675 VanDerWaalsContact CE-O 3.25Å; K639-D675 WeakPolarHBondContact CE-O 3.34Å; K639-D675 PolarHBondContact NZ-O 3.38Å; D675-K677 PolarHBondContact O-N 3.18Å; D675-K677 PolarHBondContact OD1-N 3.28Å; D675-F678 PolarHBondContact N-O 2.9Å; D675-F678 PolarHBondContact OD1-N 3.41Å; D675-Y680 VanDerWaalsContact OD2-CE2 3.28Å; D675-Y680 WeakPolarHBondContact OD2-CE2 3.25Å; D675-Y680 PolarHBondContact OD2-OH 3.34Å; D675-Y680 VanDerWaalsContact OD2-OH 3.08Å
676	N	96.4	Very high	95.4	Very high	164 Å²	164	44.3 Å²	44.3	88%	0.877	22%	0.217	S	C	*	.	S	Bend	trans	-66.3	-18.7	-176.6	-67.8	-13.2	0	0	0	113.9
677	K	95.1	Very high	95.1	Very high	154 Å²	154	46.5 Å²	46.5	67%	0.67	23%	0.228	S	C	*	.	S	Bend	trans	-115.8	-31	-174.6	-65.6	179.3	-179.4	178.1	0	113.4	K639 D675	K639-K677 WeakPolarHBondContact CB-O 3.28Å; K639-K677 PolarHBondContact N-O 2.98Å; D675-K677 PolarHBondContact O-N 3.18Å; D675-K677 PolarHBondContact OD1-N 3.28Å
678	F	95.6	Very high	94.8	Very high	38 Å²	38	46.2 Å²	46.2	17%	0.167	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.8	-169.6	-58.3	-84.2	0	0	0	113.6	R636 M637 K638 K639 K674 D675 Y680	R636-F678 HydrophobicContact CG-CB 4.25Å; R636-F678 HydrophobicContact CG-CD1 3.66Å; R636-F678 HydrophobicContact CG-CE1 4.21Å; R636-F678 HydrophobicContact CG-CG 4.03Å; M637-F678 VanDerWaalsContact O-CA 3.28Å; M637-F678 WeakPolarHBondContact O-CA 3.46Å; K638-F678 HydrophobicContact CG-CD1 4.06Å; K638-F678 HydrophobicContact CG-CE1 3.6Å; K639-F678 WeakPolarHBondContact CE-O 3.02Å; K674-F678 WeakPolarHBondContact CA-O 3.5Å; D675-F678 PolarHBondContact N-O 2.9Å; D675-F678 PolarHBondContact OD1-N 3.41Å; F678-Y680 HydrophobicContact CB-CD2 4.19Å; F678-Y680 HydrophobicContact CB-CE2 3.47Å; F678-Y680 VanDerWaalsContact CB-CE2 3.47Å; F678-Y680 HydrophobicContact CG-CE2 4.47Å
679	V	95.4	Very high	94.5	Very high	34 Å²	34	45.1 Å²	45.1	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.6	158.3	-64.3	0	0	0	0	108.7	M637 K639 I642 K674	M637-V679 HydrophobicContact CB-CG2 3.98Å; M637-V679 HydrophobicContact CE-CG2 4.14Å; M637-V679 PolarHBondContact N-O 3.44Å; M637-V679 PolarHBondContact O-N 3.12Å; K639-V679 HydrophobicContact CG-CG1 4.11Å; I642-V679 HydrophobicContact CD1-CG2 3.61Å; K674-V679 HydrophobicContact CB-CG1 4.32Å
680	Y	95.7	Very high	94.3	Very high	19 Å²	19	47.9 Å²	47.9	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.9	-171.9	-61.1	-100.7	0	0	0	110.6	K602 L634 K635 R636 T672 Y673 D675 F678	K602-Y680 HydrophobicContact CD-CE2 4.46Å; K602-Y680 VanDerWaalsContact CE-CZ 3.4Å; K602-Y680 PolarHBondContact NZ-OH 3.13Å; K602-Y680 VanDerWaalsContact NZ-OH 3.11Å; L634-Y680 HydrophobicContact CD1-CD1 4.05Å; L634-Y680 HydrophobicContact CD2-CD1 3.99Å; L634-Y680 HydrophobicContact CD2-CE1 4.37Å; L634-Y680 HydrophobicContact CG-CD1 4Å; K635-Y680 WeakPolarHBondContact O-CA 3.44Å; R636-Y680 HydrophobicContact CB-CD1 3.96Å; R636-Y680 HydrophobicContact CB-CE1 3.96Å; R636-Y680 HydrophobicContact CG-CD1 4.04Å; R636-Y680 HydrophobicContact CG-CE1 3.6Å; T672-Y680 CarbonylContact C-O 3.54Å; T672-Y680 WeakPolarHBondContact CA-O 3.24Å; T672-Y680 WeakPolarHBondContact CB-O 3.27Å; Y673-Y680 PolarHBondContact N-O 3.28Å; Y673-Y680 PolarHBondContact O-N 2.93Å; D675-Y680 VanDerWaalsContact OD2-CE2 3.28Å; D675-Y680 WeakPolarHBondContact OD2-CE2 3.25Å; D675-Y680 PolarHBondContact OD2-OH 3.34Å; D675-Y680 VanDerWaalsContact OD2-OH 3.08Å; F678-Y680 HydrophobicContact CB-CD2 4.19Å; F678-Y680 HydrophobicContact CB-CE2 3.47Å; F678-Y680 VanDerWaalsContact CB-CE2 3.47Å; F678-Y680 HydrophobicContact CG-CE2 4.47Å
681	M	95.1	Very high	94.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.025	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	170.2	-71.9	169.6	175.5	0	0	108.7	L634 K635 M637 I651 E654 R655 L669 T672 L683	L634-M681 WeakPolarHBondContact CA-O 3.29Å; K635-M681 HydrophobicContact CB-CB 4.26Å; K635-M681 HydrophobicContact CD-SD 4.28Å; K635-M681 PolarHBondContact N-O 3.1Å; K635-M681 PolarHBondContact O-N 3.09Å; M637-M681 HydrophobicContact CE-CE 3.93Å; M637-M681 HydrophobicContact CE-CG 4.23Å; M637-M681 HydrophobicContact CE-SD 3.7Å; I651-M681 HydrophobicContact CG2-CE 4.09Å; E654-M681 HydrophobicContact CB-CE 4.36Å; E654-M681 HydrophobicContact CG-CE 4.07Å; R655-M681 HydrophobicContact CB-CE 4.01Å; L669-M681 HydrophobicContact CD1-CB 3.66Å; L669-M681 HydrophobicContact CD1-CG 4.08Å; T672-M681 HydrophobicContact CG2-CG 3.87Å; M681-L683 HydrophobicContact CB-CD1 3.93Å; M681-L683 HydrophobicContact CB-CG 4.39Å; M681-L683 WeakPolarHBondContact O-CD1 3.49Å
682	L	96.1	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108.3	176.6	-171.8	73.1	0	0	0	109.3	I600 L605 V622 F632 L634 Y670 C671 Y673	I600-L682 HydrophobicContact CB-CD2 4.45Å; I600-L682 HydrophobicContact CD1-CD2 4.22Å; I600-L682 HydrophobicContact CG2-CD2 4.21Å; L605-L682 HydrophobicContact CD1-CD1 3.71Å; L605-L682 HydrophobicContact CD1-CD2 4.47Å; L605-L682 HydrophobicContact CD2-CD1 4.37Å; V622-L682 HydrophobicContact CG2-CD1 3.97Å; F632-L682 HydrophobicContact CB-CD1 3.49Å; F632-L682 VanDerWaalsContact CB-CD1 3.49Å; F632-L682 HydrophobicContact CB-CG 3.99Å; F632-L682 HydrophobicContact CD1-CD2 4.24Å; F632-L682 HydrophobicContact CD1-CG 4.19Å; F632-L682 HydrophobicContact CG-CD1 3.99Å; F632-L682 HydrophobicContact CG-CD2 4.27Å; F632-L682 HydrophobicContact CG-CG 4.13Å; L634-L682 HydrophobicContact CD1-CB 4.46Å; L634-L682 HydrophobicContact CD1-CD1 4.03Å; Y670-L682 PolarHBondContact N-O 3.41Å; C671-L682 PolarHBondContact O-N 3.09Å; Y673-L682 HydrophobicContact CE2-CB 4.16Å
683	L	95	Very high	94.1	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	165.4	-171.2	-59	120.6	0	0	0	112.4	F632 A633 K635 M658 R668 L669 M681	F632-L683 WeakPolarHBondContact CA-O 3.28Å; F632-L683 WeakPolarHBondContact CB-O 3.25Å; A633-L683 HydrophobicContact CB-CB 4.3Å; A633-L683 PolarHBondContact N-O 3.15Å; A633-L683 PolarHBondContact O-N 2.95Å; K635-L683 HydrophobicContact CB-CD1 3.57Å; K635-L683 HydrophobicContact CD-CD1 4.41Å; M658-L683 HydrophobicContact CE-CD2 3.64Å; M658-L683 HydrophobicContact SD-CD2 4.39Å; R668-L683 CarbonylContact O-C 3.25Å; R668-L683 VanDerWaalsContact O-CA 3.22Å; R668-L683 WeakPolarHBondContact O-CA 3.41Å; L669-L683 HydrophobicContact CD1-CD2 4.36Å; L669-L683 HydrophobicContact CD1-CG 4.14Å; M681-L683 HydrophobicContact CB-CD1 3.93Å; M681-L683 HydrophobicContact CB-CG 4.39Å; M681-L683 WeakPolarHBondContact O-CD1 3.49Å
684	E	94.5	Very high	94.1	Very high	47 Å²	47	44.1 Å²	44.1	22%	0.22	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	132.6	165.8	-177.7	175.9	-158.3	0	0	111.6	R668 Y670 C686 K744	R668-E684 HydrophobicContact CB-CB 4.19Å; R668-E684 PolarHBondContact N-OE2 3.44Å; R668-E684 PolarHBondContact O-N 2.89Å; Y670-E684 HydrophobicContact CE2-CB 4.21Å; E684-C686 PolarHBondContact O-N 3.43Å; E684-K744 VanDerWaalsContact OE1-CE 3.24Å; E684-K744 WeakPolarHBondContact OE1-CE 3.49Å; E684-K744 IonicContact OE1-NZ 3.55Å; E684-K744 PolarHBondContact OE1-NZ 3.04Å; E684-K744 IonicContact OE2-NZ 3.61Å; E684-K744 PolarHBondContact OE2-NZ 3.22Å
685	A	93.1	Very high	94.1	Very high	20 Å²	20	36.2 Å²	36.2	17%	0.165	19%	0.189	C	C	.	.			trans	-80	96.3	174.8	0	0	0	0	0	110.4	L621 L687	L621-A685 HydrophobicContact CD1-CB 3.99Å; A685-L687 HydrophobicContact CB-CD2 4.23Å; A685-L687 HydrophobicContact CB-CG 4.18Å; A685-L687 PolarHBondContact O-N 3.05Å; A685-L687 VanDerWaalsContact O-N 3.14Å
686	C	93.3	Very high	94	Very high	17 Å²	17	38.9 Å²	38.9	12%	0.115	20%	0.196	C	C	.	.			trans	-82.3	85.4	173.8	-58.9	0	0	0	0	109.7	E684 G688 L736 L737 K744	E684-C686 PolarHBondContact O-N 3.43Å; C686-G688 VanDerWaalsContact C-N 3.31Å; C686-G688 PolarHBondContact O-N 3.47Å; C686-L736 HydrophobicContact CB-CB 3.55Å; C686-L736 HydrophobicContact CB-CD1 3.77Å; C686-L736 HydrophobicContact CB-CG 4.31Å; C686-L737 CarbonylContact C-O 3.42Å; C686-L737 VanDerWaalsContact C-O 3.25Å; C686-L737 WeakPolarHBondContact CB-O 3.38Å; C686-K744 VanDerWaalsContact SG-CD 3.51Å
687	L	90.5	Very high	93.8	Very high	49 Å²	49	35.4 Å²	35.4	26%	0.257	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.7	-167.8	-65.8	165.9	0	0	0	115	L621 A685 G689 I886 I888	L621-L687 HydrophobicContact CD1-CD2 4.03Å; A685-L687 HydrophobicContact CB-CD2 4.23Å; A685-L687 HydrophobicContact CB-CG 4.18Å; A685-L687 PolarHBondContact O-N 3.05Å; A685-L687 VanDerWaalsContact O-N 3.14Å; L687-G689 PolarHBondContact O-N 3.03Å; L687-I886 HydrophobicContact CB-CD1 3.68Å; L687-I886 HydrophobicContact CB-CG1 4.23Å; L687-I886 HydrophobicContact CB-CG2 4.36Å; L687-I888 HydrophobicContact CD1-CD1 3.61Å; L687-I888 HydrophobicContact CD2-CD1 3.85Å; L687-I888 HydrophobicContact CG-CD1 4.27Å
688	G	90.8	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.7	176.9	0	0	0	0	0	114.5	C686 L737 F905	C686-G688 VanDerWaalsContact C-N 3.31Å; C686-G688 PolarHBondContact O-N 3.47Å; G688-L737 VanDerWaalsContact CA-O 3.28Å; G688-L737 WeakPolarHBondContact CA-O 3.4Å; G688-L737 PolarHBondContact N-O 2.49Å; G688-F905 WeakPolarHBondContact O-CZ 3.41Å
689	G	90.1	Very high	93.7	Very high	18 Å²	18	33.2 Å²	33.2	19%	0.186	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-174	177.5	0	0	0	0	0	114.6	L687 L736 L737	L687-G689 PolarHBondContact O-N 3.03Å; G689-L736 CarbonylContact O-C 3.46Å; G689-L736 WeakPolarHBondContact O-CA 3.33Å; G689-L737 PolarHBondContact O-N 2.87Å
690	E	91.7	Very high	93.8	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.271	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.5	179.2	-63.2	165	148.8	0	0	111.3	K279 W692 T693 V694 L736	K279-E690 WeakPolarHBondContact CE-OE2 3.27Å; K279-E690 IonicContact NZ-OE1 2.99Å; K279-E690 PolarHBondContact NZ-OE1 2.96Å; K279-E690 IonicContact NZ-OE2 2.65Å; K279-E690 PolarHBondContact NZ-OE2 3.28Å; E690-W692 PolarHBondContact O-N 3Å; E690-T693 PolarHBondContact O-N 2.75Å; E690-T693 PolarHBondContact OE2-OG1 3.3Å; E690-V694 PolarHBondContact O-N 3.41Å; E690-L736 HydrophobicContact CB-CD2 4.14Å; E690-L736 HydrophobicContact CG-CD2 3.52Å
691	L	95.6	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-32.6	176	-167.8	74.5	0	0	0	112	T693 V694 L695 F701 V709 L735 L737 V743 L796 I882	L691-T693 VanDerWaalsContact C-N 3.29Å; L691-T693 PolarHBondContact O-N 2.83Å; L691-V694 PolarHBondContact O-N 2.98Å; L691-L695 PolarHBondContact O-N 2.92Å; L691-F701 HydrophobicContact CD1-CE2 3.86Å; L691-F701 HydrophobicContact CD1-CZ 4.03Å; L691-F701 HydrophobicContact CD2-CE2 4.34Å; L691-F701 HydrophobicContact CG-CE2 4.07Å; L691-F701 HydrophobicContact CG-CZ 4.26Å; L691-V709 HydrophobicContact CD1-CG2 4.03Å; L691-V709 HydrophobicContact CD2-CB 4.45Å; L691-V709 HydrophobicContact CD2-CG1 3.52Å; L691-V709 HydrophobicContact CD2-CG2 4.03Å; L691-L735 HydrophobicContact CB-CB 3.86Å; L691-L735 WeakPolarHBondContact CB-O 3.45Å; L691-L735 HydrophobicContact CD2-CB 4.09Å; L691-L735 HydrophobicContact CD2-CD1 3.71Å; L691-L735 PolarHBondContact N-O 3.05Å; L691-L737 HydrophobicContact CD1-CD1 4.36Å; L691-L737 HydrophobicContact CD1-CD2 4.22Å; L691-L737 HydrophobicContact CD1-CG 4.44Å; L691-V743 HydrophobicContact CD1-CG2 4.48Å; L691-L796 HydrophobicContact CD2-CD2 4.18Å; L691-I882 HydrophobicContact CD1-CD1 3.57Å
692	W	94.2	Very high	93.9	Very high	22 Å²	22	40.9 Å²	40.9	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-53.5	-42.7	172.7	-178.5	88.6	0	0	0	113.2	R277 K279 E690 L695 R696 P732 E733	R277-W692 WeakPolarHBondContact O-CH2 2.93Å; R277-W692 VanDerWaalsContact O-CZ2 3.26Å; R277-W692 WeakPolarHBondContact O-CZ2 3.44Å; K279-W692 HydrophobicContact CB-CZ2 4.48Å; K279-W692 HydrophobicContact CD-CE3 4.41Å; K279-W692 HydrophobicContact CD-CZ3 4.46Å; K279-W692 HydrophobicContact CG-CD2 3.86Å; K279-W692 HydrophobicContact CG-CE3 3.88Å; K279-W692 HydrophobicContact CG-CH2 3.78Å; K279-W692 HydrophobicContact CG-CZ2 3.73Å; K279-W692 HydrophobicContact CG-CZ3 3.85Å; E690-W692 PolarHBondContact O-N 3Å; W692-L695 PolarHBondContact O-N 3.06Å; W692-R696 WeakPolarHBondContact O-CB 3.41Å; W692-R696 PolarHBondContact O-N 2.77Å; W692-P732 HydrophobicContact CB-CB 3.82Å; W692-P732 HydrophobicContact CG-CB 4.46Å; W692-P732 PolarHBondContact N-O 3.09Å; W692-P732 VanDerWaalsContact N-O 3.13Å; W692-E733 HydrophobicContact CB-CG 4.02Å; W692-E733 HydrophobicContact CD2-CG 4.44Å; W692-E733 HydrophobicContact CG-CG 3.77Å; W692-E733 PolarHBondContact NE1-OE1 3.3Å
693	T	91.3	Very high	93.9	Very high	35 Å²	35	42.8 Å²	42.8	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-41	179.7	-60.9	0	0	0	0	110.5	E690 L691 L695 R696 N697	E690-T693 PolarHBondContact O-N 2.75Å; E690-T693 PolarHBondContact OE2-OG1 3.3Å; L691-T693 VanDerWaalsContact C-N 3.29Å; L691-T693 PolarHBondContact O-N 2.83Å; T693-L695 PolarHBondContact O-N 3.11Å; T693-R696 PolarHBondContact O-N 3.45Å; T693-N697 WeakPolarHBondContact O-CB 3.46Å; T693-N697 VanDerWaalsContact O-CG 3.25Å; T693-N697 PolarHBondContact O-N 2.85Å; T693-N697 PolarHBondContact O-OD1 3.21Å
694	V	94.3	Very high	93.9	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.085	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-42	174.9	-173.3	0	0	0	0	111.4	E690 L691 N697 K698 F701 M705 L737 I882	E690-V694 PolarHBondContact O-N 3.41Å; L691-V694 PolarHBondContact O-N 2.98Å; V694-N697 PolarHBondContact O-N 3.26Å; V694-K698 PolarHBondContact O-N 2.95Å; V694-F701 HydrophobicContact CB-CZ 4.22Å; V694-F701 HydrophobicContact CG1-CE1 4.01Å; V694-F701 HydrophobicContact CG1-CZ 4.02Å; V694-M705 HydrophobicContact CG1-CE 3.67Å; V694-L737 HydrophobicContact CG2-CD1 3.91Å; V694-I882 HydrophobicContact CG1-CG2 4.13Å
695	L	95.8	Very high	94	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-42.3	176	-178.7	66.5	0	0	0	112.2	L691 W692 T693 G699 F701 P732 E795 L796	L691-L695 PolarHBondContact O-N 2.92Å; W692-L695 PolarHBondContact O-N 3.06Å; T693-L695 PolarHBondContact O-N 3.11Å; L695-G699 CarbonylContact O-C 3.48Å; L695-G699 WeakPolarHBondContact O-CA 3.41Å; L695-G699 PolarHBondContact O-N 3.4Å; L695-F701 VanDerWaalsContact CA-CE1 3.44Å; L695-F701 HydrophobicContact CB-CE1 3.99Å; L695-F701 HydrophobicContact CB-CZ 3.84Å; L695-F701 HydrophobicContact CD1-CD1 3.9Å; L695-F701 HydrophobicContact CD1-CD2 4.44Å; L695-F701 HydrophobicContact CD1-CE1 3.91Å; L695-F701 HydrophobicContact CD1-CE2 4.45Å; L695-F701 HydrophobicContact CD1-CG 4.16Å; L695-F701 HydrophobicContact CD1-CZ 4.18Å; L695-P732 HydrophobicContact CD2-CB 4.45Å; L695-P732 HydrophobicContact CD2-CG 4.02Å; L695-E795 HydrophobicContact CD2-CG 3.97Å; L695-L796 HydrophobicContact CD1-CD2 4.26Å; L695-L796 HydrophobicContact CD2-CD2 4.13Å
696	R	93.6	Very high	94.3	Very high	104 Å²	104	43.7 Å²	43.7	39%	0.392	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-46	176.4	-179.8	176.8	173.2	-142.1	-3.3	111.1	R277 W692 T693 G699	R277-R696 HydrophobicContact CB-CG 4.47Å; W692-R696 WeakPolarHBondContact O-CB 3.41Å; W692-R696 PolarHBondContact O-N 2.77Å; T693-R696 PolarHBondContact O-N 3.45Å; R696-G699 PolarHBondContact O-N 3.43Å
697	N	92.4	Very high	94.5	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-69.6	-39.4	-177.5	-68.2	8.4	0	0	0	112.4	T693 V694 G699	T693-N697 WeakPolarHBondContact O-CB 3.46Å; T693-N697 VanDerWaalsContact O-CG 3.25Å; T693-N697 PolarHBondContact O-N 2.85Å; T693-N697 PolarHBondContact O-OD1 3.21Å; V694-N697 PolarHBondContact O-N 3.26Å; N697-G699 VanDerWaalsContact C-N 3.33Å
698	K	94.5	Very high	94.9	Very high	119 Å²	119	43.5 Å²	43.5	52%	0.517	22%	0.217	S	C	.	.	H	α-helix	trans	-79.8	-11.1	175.8	-69.5	-165.4	179.2	-62.5	0	114.4	V694 R700 F701 M705	V694-K698 PolarHBondContact O-N 2.95Å; K698-R700 PolarHBondContact O-N 3.35Å; K698-F701 HydrophobicContact CB-CD1 4.39Å; K698-F701 HydrophobicContact CB-CE1 4.38Å; K698-F701 HydrophobicContact CD-CD1 4.33Å; K698-F701 HydrophobicContact CD-CE1 4.33Å; K698-M705 HydrophobicContact CD-CE 3.95Å; K698-M705 HydrophobicContact CD-SD 4.07Å
699	G	95.5	Very high	95.2	Very high	27 Å²	27	43.5 Å²	43.5	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	73.7	-45.8	-172.5	0	0	0	0	0	113.7	R277 L695 R696 N697 G799	R277-G699 PolarHBondContact NH1-O 3.08Å; R277-G699 PolarHBondContact NH2-O 2.79Å; R277-G699 VanDerWaalsContact NH2-O 3.12Å; L695-G699 CarbonylContact O-C 3.48Å; L695-G699 WeakPolarHBondContact O-CA 3.41Å; L695-G699 PolarHBondContact O-N 3.4Å; R696-G699 PolarHBondContact O-N 3.43Å; N697-G699 VanDerWaalsContact C-N 3.33Å; G699-G799 WeakPolarHBondContact O-CA 3.14Å
700	R	96	Very high	95.6	Very high	118 Å²	118	42.6 Å²	42.6	45%	0.445	21%	0.208	S	C	.	.	S	Bend	trans	-155	166.9	172.4	66.6	-178	-176.5	-158.9	22.9	111	K698 L797 N828	K698-R700 PolarHBondContact O-N 3.35Å; R700-L797 WeakPolarHBondContact CD-O 3.29Å; R700-N828 PolarHBondContact NH1-ND2 2.96Å; R700-N828 PolarHBondContact NH1-OD1 2.92Å; R700-N828 PolarHBondContact NH2-OD1 3.44Å
701	F	97.5	Very high	95.9	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.026	20%	0.195	C	C	.	.			trans	-103.3	159.8	171.5	-64.7	-8.7	0	0	0	111.1	L691 V694 L695 K698 M705 V709 L796	L691-F701 HydrophobicContact CD1-CE2 3.86Å; L691-F701 HydrophobicContact CD1-CZ 4.03Å; L691-F701 HydrophobicContact CD2-CE2 4.34Å; L691-F701 HydrophobicContact CG-CE2 4.07Å; L691-F701 HydrophobicContact CG-CZ 4.26Å; V694-F701 HydrophobicContact CB-CZ 4.22Å; V694-F701 HydrophobicContact CG1-CE1 4.01Å; V694-F701 HydrophobicContact CG1-CZ 4.02Å; L695-F701 VanDerWaalsContact CA-CE1 3.44Å; L695-F701 HydrophobicContact CB-CE1 3.99Å; L695-F701 HydrophobicContact CB-CZ 3.84Å; L695-F701 HydrophobicContact CD1-CD1 3.9Å; L695-F701 HydrophobicContact CD1-CD2 4.44Å; L695-F701 HydrophobicContact CD1-CE1 3.91Å; L695-F701 HydrophobicContact CD1-CE2 4.45Å; L695-F701 HydrophobicContact CD1-CG 4.16Å; L695-F701 HydrophobicContact CD1-CZ 4.18Å; K698-F701 HydrophobicContact CB-CD1 4.39Å; K698-F701 HydrophobicContact CB-CE1 4.38Å; K698-F701 HydrophobicContact CD-CD1 4.33Å; K698-F701 HydrophobicContact CD-CE1 4.33Å; F701-M705 HydrophobicContact CB-CB 4.16Å; F701-M705 HydrophobicContact CB-CG 4.14Å; F701-M705 HydrophobicContact CB-SD 4.04Å; F701-M705 HydrophobicContact CD1-CE 3.49Å; F701-M705 VanDerWaalsContact CD1-CE 3.49Å; F701-M705 HydrophobicContact CD1-CG 4.33Å; F701-M705 HydrophobicContact CD1-SD 3.46Å; F701-M705 WeakPolarHBondContact CD1-SD 3.43Å; F701-M705 HydrophobicContact CD2-CE 4.05Å; F701-M705 HydrophobicContact CD2-CG 3.83Å; F701-M705 HydrophobicContact CD2-SD 4.04Å; F701-M705 HydrophobicContact CE1-CE 3.21Å; F701-M705 HydrophobicContact CE1-SD 3.89Å; F701-M705 HydrophobicContact CE2-CE 3.8Å; F701-M705 HydrophobicContact CE2-CG 4.33Å; F701-M705 HydrophobicContact CE2-SD 4.41Å; F701-M705 HydrophobicContact CG-CB 4.42Å; F701-M705 HydrophobicContact CG-CE 3.93Å; F701-M705 HydrophobicContact CG-CG 3.85Å; F701-M705 HydrophobicContact CG-SD 3.57Å; F701-M705 VanDerWaalsContact CG-SD 3.57Å; F701-M705 HydrophobicContact CZ-CE 3.4Å; F701-M705 HydrophobicContact CZ-SD 4.36Å; F701-V709 HydrophobicContact CE2-CG2 4.39Å; F701-L796 HydrophobicContact CD2-CB 4.16Å; F701-L796 HydrophobicContact CD2-CD2 3.75Å; F701-L796 HydrophobicContact CD2-CG 4.33Å; F701-L796 HydrophobicContact CE2-CD2 3.66Å; F701-L796 PolarHBondContact N-O 2.97Å
702	D	96.3	Very high	96.1	Very high	94 Å²	94	39.9 Å²	39.9	50%	0.503	20%	0.196	S	C	.	.			trans	-85.4	178.5	167.9	69.6	18.4	0	0	0	111.6	V704 M705 T706	D702-V704 VanDerWaalsContact C-N 3.28Å; D702-V704 PolarHBondContact O-N 2.87Å; D702-V704 WeakPolarHBondContact OD1-CA 3.14Å; D702-V704 WeakPolarHBondContact OD1-CB 3.32Å; D702-V704 PolarHBondContact OD1-N 3.44Å; D702-M705 VanDerWaalsContact OD1-CB 3.32Å; D702-M705 WeakPolarHBondContact OD1-CB 3.34Å; D702-M705 PolarHBondContact OD1-N 2.96Å; D702-T706 WeakPolarHBondContact O-CB 3.5Å; D702-T706 PolarHBondContact O-N 2.96Å; D702-T706 PolarHBondContact O-OG1 2.99Å
703	D	95.8	Very high	96.3	Very high	40 Å²	40	39 Å²	39	21%	0.214	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-22.7	177.9	-94.9	-37.8	0	0	0	114.1	R707 S830 Y864	D703-R707 WeakPolarHBondContact O-CB 3.47Å; D703-R707 PolarHBondContact O-N 2.85Å; D703-R707 VanDerWaalsContact O-N 3.09Å; D703-S830 WeakPolarHBondContact OD2-CB 3.4Å; D703-S830 PolarHBondContact OD2-OG 3.28Å; D703-Y864 WeakPolarHBondContact OD1-CE2 3.42Å; D703-Y864 VanDerWaalsContact OD1-CZ 3.28Å; D703-Y864 PolarHBondContact OD1-OH 3.41Å
704	V	95.7	Very high	96.6	Very high	90 Å²	90	37.3 Å²	37.3	55%	0.545	18%	0.182	S	C	.	.	H	α-helix	trans	-78	-50.2	-179.8	178.2	0	0	0	0	109.6	D702 R707 F708	D702-V704 VanDerWaalsContact C-N 3.28Å; D702-V704 PolarHBondContact O-N 2.87Å; D702-V704 WeakPolarHBondContact OD1-CA 3.14Å; D702-V704 WeakPolarHBondContact OD1-CB 3.32Å; D702-V704 PolarHBondContact OD1-N 3.44Å; V704-R707 PolarHBondContact O-N 2.88Å; V704-F708 PolarHBondContact O-N 3.41Å; V704-F708 VanDerWaalsContact O-N 3.11Å
705	M	97.3	Very high	96.6	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.064	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-44.8	176.9	-170.7	175.3	-179.6	0	0	111.1	V694 K698 F701 D702 F708 V709 P881 I882	V694-M705 HydrophobicContact CG1-CE 3.67Å; K698-M705 HydrophobicContact CD-CE 3.95Å; K698-M705 HydrophobicContact CD-SD 4.07Å; F701-M705 HydrophobicContact CB-CB 4.16Å; F701-M705 HydrophobicContact CB-CG 4.14Å; F701-M705 HydrophobicContact CB-SD 4.04Å; F701-M705 HydrophobicContact CD1-CE 3.49Å; F701-M705 VanDerWaalsContact CD1-CE 3.49Å; F701-M705 HydrophobicContact CD1-CG 4.33Å; F701-M705 HydrophobicContact CD1-SD 3.46Å; F701-M705 WeakPolarHBondContact CD1-SD 3.43Å; F701-M705 HydrophobicContact CD2-CE 4.05Å; F701-M705 HydrophobicContact CD2-CG 3.83Å; F701-M705 HydrophobicContact CD2-SD 4.04Å; F701-M705 HydrophobicContact CE1-CE 3.21Å; F701-M705 HydrophobicContact CE1-SD 3.89Å; F701-M705 HydrophobicContact CE2-CE 3.8Å; F701-M705 HydrophobicContact CE2-CG 4.33Å; F701-M705 HydrophobicContact CE2-SD 4.41Å; F701-M705 HydrophobicContact CG-CB 4.42Å; F701-M705 HydrophobicContact CG-CE 3.93Å; F701-M705 HydrophobicContact CG-CG 3.85Å; F701-M705 HydrophobicContact CG-SD 3.57Å; F701-M705 VanDerWaalsContact CG-SD 3.57Å; F701-M705 HydrophobicContact CZ-CE 3.4Å; F701-M705 HydrophobicContact CZ-SD 4.36Å; D702-M705 VanDerWaalsContact OD1-CB 3.32Å; D702-M705 WeakPolarHBondContact OD1-CB 3.34Å; D702-M705 PolarHBondContact OD1-N 2.96Å; M705-F708 PolarHBondContact O-N 2.74Å; M705-V709 WeakPolarHBondContact O-CG2 3.4Å; M705-V709 PolarHBondContact O-N 3.21Å; M705-V709 VanDerWaalsContact O-N 3.12Å; M705-P881 HydrophobicContact CB-CB 4.45Å; M705-P881 HydrophobicContact CB-CG 4.31Å; M705-P881 HydrophobicContact CG-CG 4.35Å; M705-I882 HydrophobicContact CE-CB 4.48Å; M705-I882 HydrophobicContact CE-CD1 3.4Å; M705-I882 HydrophobicContact CE-CG1 3.57Å; M705-I882 HydrophobicContact CE-CG2 4.31Å; M705-I882 HydrophobicContact CG-CD1 4.23Å; M705-I882 HydrophobicContact CG-CG1 4.1Å
706	T	98.4	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-50.6	174.5	-60.7	0	0	0	0	111.5	D702 F708 V709 I710 I793 L796 L797	D702-T706 WeakPolarHBondContact O-CB 3.5Å; D702-T706 PolarHBondContact O-N 2.96Å; D702-T706 PolarHBondContact O-OG1 2.99Å; T706-F708 VanDerWaalsContact C-N 3.31Å; T706-F708 PolarHBondContact O-N 3.16Å; T706-V709 PolarHBondContact O-N 3.25Å; T706-I710 HydrophobicContact CG2-CG1 4.03Å; T706-I710 WeakPolarHBondContact O-CB 3.47Å; T706-I710 WeakPolarHBondContact O-CG1 3.41Å; T706-I710 PolarHBondContact O-N 2.97Å; T706-I793 HydrophobicContact CG2-CG2 4.17Å; T706-L796 HydrophobicContact CG2-CB 3.97Å; T706-L796 HydrophobicContact CG2-CD1 4.1Å; T706-L797 HydrophobicContact CG2-CD2 4.24Å; T706-L797 HydrophobicContact CG2-CG 4.11Å; T706-L797 WeakPolarHBondContact OG1-CD2 3.26Å
707	R	97.4	Very high	96.8	Very high	55 Å²	55	32.8 Å²	32.8	21%	0.208	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-40.2	-179.3	-171.9	-173.3	-62.3	111.4	10.5	112.5	D703 V704 A711 Y864 F865 F868	D703-R707 WeakPolarHBondContact O-CB 3.47Å; D703-R707 PolarHBondContact O-N 2.85Å; D703-R707 VanDerWaalsContact O-N 3.09Å; V704-R707 PolarHBondContact O-N 2.88Å; R707-A711 VanDerWaalsContact O-CB 3.28Å; R707-A711 WeakPolarHBondContact O-CB 3.38Å; R707-A711 PolarHBondContact O-N 3.09Å; R707-Y864 HydrophobicContact CB-CE1 4.01Å; R707-Y864 HydrophobicContact CG-CE1 4.18Å; R707-Y864 PolarHBondContact NE-O 2.86Å; R707-F865 HydrophobicContact CG-CD1 3.54Å; R707-F865 HydrophobicContact CG-CE1 3.64Å; R707-F868 HydrophobicContact CG-CD2 3.73Å; R707-F868 HydrophobicContact CG-CE2 4.13Å; R707-F868 HydrophobicContact CG-CG 4.43Å
708	F	98.2	Very high	96.6	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-46.9	176.8	-177.1	-87.1	0	0	0	112.6	V704 M705 T706 I710 A711 C712 Y742 L873 L878 A880 P881	V704-F708 PolarHBondContact O-N 3.41Å; V704-F708 VanDerWaalsContact O-N 3.11Å; M705-F708 PolarHBondContact O-N 2.74Å; T706-F708 VanDerWaalsContact C-N 3.31Å; T706-F708 PolarHBondContact O-N 3.16Å; F708-I710 PolarHBondContact O-N 2.9Å; F708-A711 PolarHBondContact O-N 2.99Å; F708-C712 PolarHBondContact O-N 3.13Å; F708-C712 VanDerWaalsContact O-N 3.15Å; F708-C712 PolarHBondContact O-SG 2.91Å; F708-Y742 HydrophobicContact CZ-CD1 4.2Å; F708-Y742 HydrophobicContact CZ-CD2 4.02Å; F708-Y742 HydrophobicContact CZ-CE1 4.13Å; F708-Y742 AromaticContact CZ-CE2 3.93Å; F708-Y742 HydrophobicContact CZ-CE2 3.93Å; F708-Y742 HydrophobicContact CZ-CG 4.16Å; F708-Y742 AromaticContact CZ-CZ 3.99Å; F708-L873 HydrophobicContact CD2-CD1 4.13Å; F708-L873 HydrophobicContact CE2-CD1 3.62Å; F708-L873 HydrophobicContact CZ-CD1 3.96Å; F708-L878 HydrophobicContact CD2-CD2 3.92Å; F708-L878 HydrophobicContact CD2-CG 4.36Å; F708-L878 HydrophobicContact CE2-CD2 3.96Å; F708-L878 HydrophobicContact CE2-CG 4.12Å; F708-A880 HydrophobicContact CE1-CB 3.71Å; F708-A880 HydrophobicContact CE2-CB 4.23Å; F708-A880 HydrophobicContact CZ-CB 3.51Å; F708-P881 HydrophobicContact CB-CG 3.76Å; F708-P881 HydrophobicContact CD1-CG 4.17Å; F708-P881 HydrophobicContact CG-CG 3.94Å
709	V	98.6	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-50.9	176	169	0	0	0	0	110.5	L691 F701 M705 T706 A711 C712 V713 L735 V743 L796 I882	L691-V709 HydrophobicContact CD1-CG2 4.03Å; L691-V709 HydrophobicContact CD2-CB 4.45Å; L691-V709 HydrophobicContact CD2-CG1 3.52Å; L691-V709 HydrophobicContact CD2-CG2 4.03Å; F701-V709 HydrophobicContact CE2-CG2 4.39Å; M705-V709 WeakPolarHBondContact O-CG2 3.4Å; M705-V709 PolarHBondContact O-N 3.21Å; M705-V709 VanDerWaalsContact O-N 3.12Å; T706-V709 PolarHBondContact O-N 3.25Å; V709-A711 VanDerWaalsContact C-N 3.3Å; V709-A711 PolarHBondContact O-N 3.41Å; V709-C712 WeakPolarHBondContact O-CB 3.4Å; V709-C712 PolarHBondContact O-N 3.13Å; V709-V713 PolarHBondContact O-N 3.42Å; V709-V713 VanDerWaalsContact O-N 3.09Å; V709-L735 HydrophobicContact CG1-CD1 4.36Å; V709-V743 HydrophobicContact CB-CG2 4.43Å; V709-V743 HydrophobicContact CG1-CG2 4.34Å; V709-V743 HydrophobicContact CG2-CG2 4.07Å; V709-L796 HydrophobicContact CB-CD1 4.07Å; V709-L796 HydrophobicContact CG1-CD1 3.67Å; V709-I882 HydrophobicContact CG2-CD1 4.33Å
710	I	98.7	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.7	-32.9	-175.5	-60.9	-67.2	0	0	0	111.1	T706 F708 V713 L714 L789 L792 I793 L796 F865	T706-I710 HydrophobicContact CG2-CG1 4.03Å; T706-I710 WeakPolarHBondContact O-CB 3.47Å; T706-I710 WeakPolarHBondContact O-CG1 3.41Å; T706-I710 PolarHBondContact O-N 2.97Å; F708-I710 PolarHBondContact O-N 2.9Å; I710-V713 PolarHBondContact O-N 3.29Å; I710-L714 HydrophobicContact CG2-CD1 4.03Å; I710-L714 HydrophobicContact CG2-CG 4.43Å; I710-L714 WeakPolarHBondContact O-CB 3.44Å; I710-L714 WeakPolarHBondContact O-CG 3.26Å; I710-L714 PolarHBondContact O-N 3.03Å; I710-L789 HydrophobicContact CD1-CD1 4.15Å; I710-L789 HydrophobicContact CG2-CD1 4.03Å; I710-L789 HydrophobicContact CG2-CD2 4.33Å; I710-L789 HydrophobicContact CG2-CG 4.24Å; I710-L792 HydrophobicContact CD1-CB 4.25Å; I710-L792 HydrophobicContact CD1-CD2 3.57Å; I710-L792 HydrophobicContact CD1-CG 3.75Å; I710-I793 HydrophobicContact CD1-CG1 3.59Å; I710-I793 HydrophobicContact CG1-CG1 3.73Å; I710-I793 HydrophobicContact CG2-CD1 4.3Å; I710-I793 HydrophobicContact CG2-CG1 4.14Å; I710-L796 HydrophobicContact CD1-CD1 3.94Å; I710-L796 HydrophobicContact CG1-CD1 4.2Å; I710-F865 HydrophobicContact CB-CZ 4.38Å; I710-F865 HydrophobicContact CG2-CE1 4.48Å; I710-F865 HydrophobicContact CG2-CZ 3.75Å
711	A	97.9	Very high	96	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-40.3	173.4	0	0	0	0	0	112.4	R707 F708 V709 L714 E715 F865 F868 W870 L873	R707-A711 VanDerWaalsContact O-CB 3.28Å; R707-A711 WeakPolarHBondContact O-CB 3.38Å; R707-A711 PolarHBondContact O-N 3.09Å; F708-A711 PolarHBondContact O-N 2.99Å; V709-A711 VanDerWaalsContact C-N 3.3Å; V709-A711 PolarHBondContact O-N 3.41Å; A711-L714 PolarHBondContact O-N 3.43Å; A711-E715 PolarHBondContact O-N 2.79Å; A711-F865 HydrophobicContact CB-CE1 4.34Å; A711-F868 HydrophobicContact CB-CD1 4.24Å; A711-F868 HydrophobicContact CB-CE1 3.39Å; A711-F868 HydrophobicContact CB-CE2 4.19Å; A711-F868 HydrophobicContact CB-CZ 3.36Å; A711-W870 HydrophobicContact CB-CE3 4.42Å; A711-W870 HydrophobicContact CB-CH2 3.71Å; A711-W870 HydrophobicContact CB-CZ2 4.49Å; A711-W870 HydrophobicContact CB-CZ3 3.68Å; A711-L873 HydrophobicContact CB-CD2 3.67Å
712	C	98.5	Very high	95.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-44.8	172.1	-62.8	0	0	0	0	111.8	F665 F708 V709 L714 E715 A716 V743	F665-C712 HydrophobicContact CD1-CB 3.82Å; F665-C712 HydrophobicContact CE1-CB 4.34Å; F708-C712 PolarHBondContact O-N 3.13Å; F708-C712 VanDerWaalsContact O-N 3.15Å; F708-C712 PolarHBondContact O-SG 2.91Å; V709-C712 WeakPolarHBondContact O-CB 3.4Å; V709-C712 PolarHBondContact O-N 3.13Å; C712-L714 VanDerWaalsContact C-N 3.32Å; C712-L714 PolarHBondContact O-N 3.32Å; C712-E715 PolarHBondContact O-N 3.42Å; C712-A716 PolarHBondContact O-N 3.28Å; C712-A716 VanDerWaalsContact O-N 3.1Å; C712-V743 HydrophobicContact CB-CB 3.75Å; C712-V743 HydrophobicContact CB-CG1 4.45Å
713	V	98.8	Very high	94.6	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-39.9	176.2	177	0	0	0	0	111.1	V709 I710 A716 F717 L730 L735 L789 L792	V709-V713 PolarHBondContact O-N 3.42Å; V709-V713 VanDerWaalsContact O-N 3.09Å; I710-V713 PolarHBondContact O-N 3.29Å; V713-A716 PolarHBondContact O-N 3.38Å; V713-F717 HydrophobicContact CG1-CD1 4.28Å; V713-F717 HydrophobicContact CG1-CD2 4.11Å; V713-F717 HydrophobicContact CG1-CE1 4.13Å; V713-F717 HydrophobicContact CG1-CE2 3.95Å; V713-F717 HydrophobicContact CG1-CG 4.3Å; V713-F717 HydrophobicContact CG1-CZ 3.99Å; V713-F717 WeakPolarHBondContact O-CB 3.33Å; V713-F717 WeakPolarHBondContact O-CG 3.4Å; V713-F717 PolarHBondContact O-N 2.62Å; V713-L730 HydrophobicContact CG1-CD1 3.74Å; V713-L730 HydrophobicContact CG1-CD2 3.97Å; V713-L730 HydrophobicContact CG2-CD1 4.27Å; V713-L735 HydrophobicContact CG2-CD1 4.2Å; V713-L735 HydrophobicContact CG2-CD2 3.74Å; V713-L789 HydrophobicContact CB-CD1 4.13Å; V713-L789 HydrophobicContact CG1-CD1 3.55Å; V713-L792 HydrophobicContact CG2-CD2 4.26Å
714	L	97.1	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-36.1	177.2	-78.8	166.9	0	0	0	113	I710 A711 C712 T718 L789 I856 I859 K860 F865 W870	I710-L714 HydrophobicContact CG2-CD1 4.03Å; I710-L714 HydrophobicContact CG2-CG 4.43Å; I710-L714 WeakPolarHBondContact O-CB 3.44Å; I710-L714 WeakPolarHBondContact O-CG 3.26Å; I710-L714 PolarHBondContact O-N 3.03Å; A711-L714 PolarHBondContact O-N 3.43Å; C712-L714 VanDerWaalsContact C-N 3.32Å; C712-L714 PolarHBondContact O-N 3.32Å; L714-T718 WeakPolarHBondContact O-CB 3.42Å; L714-T718 PolarHBondContact O-N 2.67Å; L714-T718 PolarHBondContact O-OG1 2.9Å; L714-L789 HydrophobicContact CD1-CD2 4.43Å; L714-L789 HydrophobicContact CD2-CD2 3.6Å; L714-L789 HydrophobicContact CG-CD2 3.98Å; L714-I856 HydrophobicContact CD2-CD1 3.84Å; L714-I856 HydrophobicContact CD2-CG1 3.66Å; L714-I856 WeakPolarHBondContact O-CD1 3.28Å; L714-I859 HydrophobicContact CD1-CG2 3.87Å; L714-I859 HydrophobicContact CD2-CB 4.11Å; L714-I859 HydrophobicContact CD2-CD1 4.2Å; L714-I859 HydrophobicContact CD2-CG2 3.8Å; L714-I859 HydrophobicContact CG-CG2 4.49Å; L714-K860 HydrophobicContact CD1-CG 4.49Å; L714-F865 HydrophobicContact CD1-CE1 4.34Å; L714-F865 HydrophobicContact CD1-CE2 3.92Å; L714-F865 HydrophobicContact CD1-CZ 3.64Å; L714-W870 HydrophobicContact CB-CH2 4.13Å; L714-W870 HydrophobicContact CB-CZ3 4.26Å; L714-W870 HydrophobicContact CD1-CH2 3.83Å
715	E	94.2	Very high	93.8	Very high	26 Å²	26	19 Å²	19	12%	0.121	10%	0.095	C	C	.	.	H	α-helix	trans	-63.6	-45	170.5	-70.5	-62	122.1	0	0	111.3	F665 A711 C712 T718 Y719 K860 L873 H874	F665-E715 HydrophobicContact CB-CB 4.47Å; F665-E715 HydrophobicContact CD1-CB 4.36Å; F665-E715 HydrophobicContact CD2-CB 3.33Å; F665-E715 HydrophobicContact CD2-CG 4.08Å; F665-E715 HydrophobicContact CE1-CB 4.47Å; F665-E715 HydrophobicContact CE1-CG 4.49Å; F665-E715 HydrophobicContact CE2-CB 3.5Å; F665-E715 VanDerWaalsContact CE2-CB 3.5Å; F665-E715 HydrophobicContact CE2-CG 3.7Å; F665-E715 HydrophobicContact CG-CB 3.81Å; F665-E715 HydrophobicContact CZ-CB 4.08Å; F665-E715 HydrophobicContact CZ-CG 3.93Å; A711-E715 PolarHBondContact O-N 2.79Å; C712-E715 PolarHBondContact O-N 3.42Å; E715-T718 WeakPolarHBondContact O-CB 3.42Å; E715-T718 PolarHBondContact O-N 2.74Å; E715-Y719 PolarHBondContact O-N 3.04Å; E715-Y719 VanDerWaalsContact O-N 3.12Å; E715-K860 IonicContact OE1-NZ 3.92Å; E715-K860 PolarHBondContact OE1-NZ 3.14Å; E715-L873 HydrophobicContact CG-CD2 3.96Å; E715-H874 IonicContact OE2-ND1 2.89Å; E715-H874 PolarHBondContact OE2-ND1 2.96Å
716	A	98	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-43.4	177.7	0	0	0	0	0	112.6	F665 I666 C712 V713 Y719 L720 L745	F665-A716 HydrophobicContact CB-CB 3.88Å; F665-A716 WeakPolarHBondContact O-CB 3.4Å; I666-A716 HydrophobicContact CD1-CB 4.38Å; I666-A716 HydrophobicContact CG1-CB 3.88Å; C712-A716 PolarHBondContact O-N 3.28Å; C712-A716 VanDerWaalsContact O-N 3.1Å; V713-A716 PolarHBondContact O-N 3.38Å; A716-Y719 WeakPolarHBondContact O-CB 3.26Å; A716-Y719 PolarHBondContact O-N 2.82Å; A716-L720 WeakPolarHBondContact O-CG 3.22Å; A716-L720 PolarHBondContact O-N 3.46Å; A716-L745 HydrophobicContact CB-CD1 3.47Å; A716-L745 VanDerWaalsContact CB-CD1 3.47Å; A716-L745 HydrophobicContact CB-CG 3.87Å
717	F	96.2	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-35.5	173.6	-78.4	1.6	0	0	0	112.5	V713 Y719 L720 H721 Y727 L730 L745 D785 L789 I856	V713-F717 HydrophobicContact CG1-CD1 4.28Å; V713-F717 HydrophobicContact CG1-CD2 4.11Å; V713-F717 HydrophobicContact CG1-CE1 4.13Å; V713-F717 HydrophobicContact CG1-CE2 3.95Å; V713-F717 HydrophobicContact CG1-CG 4.3Å; V713-F717 HydrophobicContact CG1-CZ 3.99Å; V713-F717 WeakPolarHBondContact O-CB 3.33Å; V713-F717 WeakPolarHBondContact O-CG 3.4Å; V713-F717 PolarHBondContact O-N 2.62Å; F717-Y719 VanDerWaalsContact C-N 3.29Å; F717-Y719 PolarHBondContact O-N 2.87Å; F717-L720 PolarHBondContact O-N 3.04Å; F717-H721 VanDerWaalsContact O-CB 3.26Å; F717-H721 WeakPolarHBondContact O-CB 3.46Å; F717-H721 PolarHBondContact O-CD2 3.4Å; F717-H721 PolarHBondContact O-N 3.13Å; F717-Y727 HydrophobicContact CE1-CD1 4.09Å; F717-Y727 HydrophobicContact CE1-CG 4.14Å; F717-L730 HydrophobicContact CE2-CD2 3.98Å; F717-L730 HydrophobicContact CZ-CB 4.12Å; F717-L730 HydrophobicContact CZ-CD1 4.2Å; F717-L730 HydrophobicContact CZ-CD2 3.73Å; F717-L730 HydrophobicContact CZ-CG 4.23Å; F717-L745 HydrophobicContact CD1-CD1 3.94Å; F717-L745 HydrophobicContact CE1-CD1 3.94Å; F717-D785 HydrophobicContact CD2-CB 4.37Å; F717-D785 HydrophobicContact CE1-CB 4.48Å; F717-D785 HydrophobicContact CE2-CB 3.82Å; F717-D785 WeakPolarHBondContact CE2-O 3.37Å; F717-D785 HydrophobicContact CZ-CB 3.85Å; F717-L789 HydrophobicContact CE2-CB 4.44Å; F717-L789 HydrophobicContact CE2-CD1 4.26Å; F717-I856 HydrophobicContact CB-CD1 3.59Å
718	T	88.3	Confident	93.7	Very high	37 Å²	37	16.7 Å²	16.7	23%	0.227	9%	0.087	C	C	.	.	H	α-helix	trans	-57.4	-49.1	173.5	-55.8	0	0	0	0	109.2	L714 E715 T722 I856 K860	L714-T718 WeakPolarHBondContact O-CB 3.42Å; L714-T718 PolarHBondContact O-N 2.67Å; L714-T718 PolarHBondContact O-OG1 2.9Å; E715-T718 WeakPolarHBondContact O-CB 3.42Å; E715-T718 PolarHBondContact O-N 2.74Å; T718-T722 WeakPolarHBondContact O-CB 3.47Å; T718-T722 PolarHBondContact O-N 3.43Å; T718-T722 PolarHBondContact O-OG1 2.83Å; T718-T722 VanDerWaalsContact O-OG1 3.1Å; T718-I856 HydrophobicContact CG2-CG2 4.27Å; T718-K860 VanDerWaalsContact OG1-CE 3.28Å; T718-K860 WeakPolarHBondContact OG1-CE 3.46Å; T718-K860 PolarHBondContact OG1-NZ 2.95Å
719	Y	91.7	Very high	93.6	Very high	62 Å²	62	17.1 Å²	17.1	24%	0.243	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-49.1	178.3	-174.4	-89.5	0	0	0	112.8	L661 R662 C663 I666 E715 A716 F717 Q723	L661-Y719 HydrophobicContact CB-CE1 4.26Å; L661-Y719 HydrophobicContact CD2-CD1 4.44Å; L661-Y719 HydrophobicContact CD2-CE1 3.86Å; R662-Y719 PolarHBondContact N-OH 3.4Å; R662-Y719 VanDerWaalsContact O-CE2 3.25Å; R662-Y719 WeakPolarHBondContact O-CE2 3.38Å; C663-Y719 HydrophobicContact CB-CD1 3.92Å; C663-Y719 HydrophobicContact CB-CD2 4.02Å; C663-Y719 HydrophobicContact CB-CE1 4.34Å; C663-Y719 HydrophobicContact CB-CE2 4.43Å; C663-Y719 HydrophobicContact CB-CG 3.75Å; I666-Y719 HydrophobicContact CD1-CD1 4.02Å; E715-Y719 PolarHBondContact O-N 3.04Å; E715-Y719 VanDerWaalsContact O-N 3.12Å; A716-Y719 WeakPolarHBondContact O-CB 3.26Å; A716-Y719 PolarHBondContact O-N 2.82Å; F717-Y719 VanDerWaalsContact C-N 3.29Å; F717-Y719 PolarHBondContact O-N 2.87Å; Y719-Q723 HydrophobicContact CE1-CG 4.33Å; Y719-Q723 WeakPolarHBondContact O-CG 3.16Å; Y719-Q723 PolarHBondContact O-N 2.85Å
720	L	94.1	Very high	93.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.4	-44.7	-177.5	-70.4	172.2	0	0	0	112.9	L661 I666 A716 F717 T722 Q723 G724 I725 Y727 L745 F748	L661-L720 HydrophobicContact CD1-CD2 3.89Å; L661-L720 HydrophobicContact CD2-CD2 3.72Å; L661-L720 HydrophobicContact CG-CD2 4.48Å; I666-L720 HydrophobicContact CD1-CD1 4.17Å; I666-L720 HydrophobicContact CD1-CD2 3.94Å; I666-L720 HydrophobicContact CD1-CG 3.83Å; A716-L720 WeakPolarHBondContact O-CG 3.22Å; A716-L720 PolarHBondContact O-N 3.46Å; F717-L720 PolarHBondContact O-N 3.04Å; L720-T722 PolarHBondContact O-N 3.15Å; L720-Q723 CarbonylContact O-C 2.92Å; L720-Q723 WeakPolarHBondContact O-CA 3.08Å; L720-Q723 WeakPolarHBondContact O-CB 3.5Å; L720-Q723 PolarHBondContact O-N 2.88Å; L720-G724 PolarHBondContact O-N 3.33Å; L720-I725 CarbonylContact C-O 3.57Å; L720-I725 HydrophobicContact CB-CB 4.42Å; L720-I725 HydrophobicContact CD2-CB 4.21Å; L720-I725 HydrophobicContact CD2-CD1 4.33Å; L720-I725 HydrophobicContact CD2-CG2 4.04Å; L720-I725 PolarHBondContact O-N 2.64Å; L720-Y727 HydrophobicContact CD1-CD2 4.11Å; L720-L745 HydrophobicContact CD1-CD1 3.84Å; L720-F748 HydrophobicContact CD1-CE1 3.9Å; L720-F748 HydrophobicContact CD1-CZ 4.29Å; L720-F748 HydrophobicContact CD2-CE1 3.85Å
721	H	87.5	Confident	93.5	Very high	14 Å²	14	17.5 Å²	17.5	7%	0.065	9%	0.09	C	C	.	.	H	α-helix	trans	-70	-35.4	-175.4	-62.8	176.8	0	0	0	111.6	F717 Q723 G724 I725 H756 D785 Y786	F717-H721 VanDerWaalsContact O-CB 3.26Å; F717-H721 WeakPolarHBondContact O-CB 3.46Å; F717-H721 PolarHBondContact O-CD2 3.4Å; F717-H721 PolarHBondContact O-N 3.13Å; H721-Q723 PolarHBondContact O-N 3.46Å; H721-G724 PolarHBondContact O-N 2.89Å; H721-I725 PolarHBondContact CD2-O 3.41Å; H721-H756 PolarHBondContact O-NE2 2.86Å; H721-D785 IonicContact NE2-OD2 2.68Å; H721-D785 PolarHBondContact NE2-OD2 3.23Å; H721-Y786 AromaticContact CE1-CE1 3.4Å; H721-Y786 WeakPolarHBondContact CE1-CE1 3.08Å; H721-Y786 AromaticContact CE1-CZ 3.73Å; H721-Y786 AromaticContact ND1-CE1 3.45Å; H721-Y786 WeakPolarHBondContact ND1-CE1 3.03Å; H721-Y786 AromaticContact ND1-CZ 3.44Å; H721-Y786 PolarHBondContact ND1-OH 2.77Å
722	T	80.2	Confident	93.5	Very high	95 Å²	95	17.5 Å²	17.5	58%	0.583	9%	0.09	S	C	*	.	H	α-helix	trans	-65.4	-23.1	171	-63.4	0	0	0	0	113	T718 L720 G724 H756	T718-T722 WeakPolarHBondContact O-CB 3.47Å; T718-T722 PolarHBondContact O-N 3.43Å; T718-T722 PolarHBondContact O-OG1 2.83Å; T718-T722 VanDerWaalsContact O-OG1 3.1Å; L720-T722 PolarHBondContact O-N 3.15Å; T722-G724 VanDerWaalsContact C-N 3.31Å; T722-H756 PolarHBondContact O-CE1 2.81Å; T722-H756 PolarHBondContact O-NE2 3.36Å
723	Q	84.8	Confident	93.3	Very high	82 Å²	82	18.2 Å²	18.2	38%	0.383	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.7	170.8	-64.4	-63.5	-42.5	0	0	112.7	Y719 L720 H721 I725 R753	Y719-Q723 HydrophobicContact CE1-CG 4.33Å; Y719-Q723 WeakPolarHBondContact O-CG 3.16Å; Y719-Q723 PolarHBondContact O-N 2.85Å; L720-Q723 CarbonylContact O-C 2.92Å; L720-Q723 WeakPolarHBondContact O-CA 3.08Å; L720-Q723 WeakPolarHBondContact O-CB 3.5Å; L720-Q723 PolarHBondContact O-N 2.88Å; H721-Q723 PolarHBondContact O-N 3.46Å; Q723-I725 VanDerWaalsContact C-N 3.27Å; Q723-I725 HydrophobicContact CB-CD1 3.79Å; Q723-I725 HydrophobicContact CB-CG1 3.99Å; Q723-I725 PolarHBondContact O-N 3.1Å; Q723-R753 PolarHBondContact O-NH1 2.64Å
724	G	82.2	Confident	93.1	Very high	6 Å²	6	18.8 Å²	18.8	6%	0.062	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	29.7	-174	0	0	0	0	0	113.5	L720 H721 T722 V754 G755	L720-G724 PolarHBondContact O-N 3.33Å; H721-G724 PolarHBondContact O-N 2.89Å; T722-G724 VanDerWaalsContact C-N 3.31Å; G724-V754 PolarHBondContact O-N 3.46Å; G724-G755 PolarHBondContact O-N 2.61Å
725	I	92.3	Very high	93.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.6	178.4	-57.5	169.7	0	0	0	108.9	I657 L661 L720 H721 Q723 A751 R753	I657-I725 HydrophobicContact CD1-CG2 4.34Å; I657-I725 HydrophobicContact CG2-CD1 4.24Å; I657-I725 HydrophobicContact CG2-CG2 4.28Å; L661-I725 HydrophobicContact CD2-CD1 3.84Å; L720-I725 CarbonylContact C-O 3.57Å; L720-I725 HydrophobicContact CB-CB 4.42Å; L720-I725 HydrophobicContact CD2-CB 4.21Å; L720-I725 HydrophobicContact CD2-CD1 4.33Å; L720-I725 HydrophobicContact CD2-CG2 4.04Å; L720-I725 PolarHBondContact O-N 2.64Å; H721-I725 PolarHBondContact CD2-O 3.41Å; Q723-I725 VanDerWaalsContact C-N 3.27Å; Q723-I725 HydrophobicContact CB-CD1 3.79Å; Q723-I725 HydrophobicContact CB-CG1 3.99Å; Q723-I725 PolarHBondContact O-N 3.1Å; I725-A751 HydrophobicContact CG2-CB 4.45Å; I725-R753 HydrophobicContact CG1-CB 4.24Å; I725-R753 HydrophobicContact CG1-CG 4.25Å
726	L	94.9	Very high	93.3	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.042	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.8	170.4	-47.4	-173.3	0	0	0	109.3	R728 A751 K752 V754 T760 N782 D785	L726-R728 HydrophobicContact CB-CG 3.63Å; L726-A751 CarbonylContact O-C 3.47Å; L726-A751 WeakPolarHBondContact O-CA 3.44Å; L726-K752 PolarHBondContact N-O 3.36Å; L726-K752 PolarHBondContact O-N 3.06Å; L726-V754 HydrophobicContact CD1-CB 4.3Å; L726-V754 HydrophobicContact CD1-CG2 3.66Å; L726-V754 HydrophobicContact CG-CB 4.29Å; L726-V754 HydrophobicContact CG-CG2 3.85Å; L726-T760 HydrophobicContact CD1-CG2 3.82Å; L726-N782 HydrophobicContact CD2-CB 3.69Å; L726-N782 VanDerWaalsContact CD2-N 3.32Å; L726-D785 WeakPolarHBondContact CA-OD2 3.42Å
727	Y	97.7	Very high	93.2	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.101	C	C	.	.			trans	-91.6	-54.2	-177.9	-174	-110.7	0	0	0	112.8	F717 L720 D729 L730 L745 C746 F748 F750 A751 D785	F717-Y727 HydrophobicContact CE1-CD1 4.09Å; F717-Y727 HydrophobicContact CE1-CG 4.14Å; L720-Y727 HydrophobicContact CD1-CD2 4.11Å; Y727-D729 VanDerWaalsContact C-N 3.31Å; Y727-D729 WeakPolarHBondContact CE1-O 3.31Å; Y727-D729 PolarHBondContact O-N 3.26Å; Y727-L730 HydrophobicContact CD1-CB 4.13Å; Y727-L730 HydrophobicContact CE1-CB 4.28Å; Y727-L730 HydrophobicContact CE1-CD1 4.48Å; Y727-L745 HydrophobicContact CD1-CD2 4.38Å; Y727-L745 HydrophobicContact CD2-CD1 4.18Å; Y727-L745 HydrophobicContact CE1-CD2 3.81Å; Y727-L745 HydrophobicContact CE2-CB 4.11Å; Y727-L745 HydrophobicContact CE2-CD1 4.16Å; Y727-L745 HydrophobicContact CE2-CD2 4.35Å; Y727-L745 HydrophobicContact CE2-CG 4.46Å; Y727-L745 HydrophobicContact CG-CD1 4.4Å; Y727-C746 PolarHBondContact OH-N 3.29Å; Y727-C746 PolarHBondContact OH-O 3.36Å; Y727-F748 HydrophobicContact CD2-CD1 4.07Å; Y727-F748 AromaticContact CD2-CE1 3.72Å; Y727-F748 HydrophobicContact CD2-CE1 3.72Å; Y727-F748 HydrophobicContact CD2-CZ 4.02Å; Y727-F748 HydrophobicContact CE2-CD1 4.11Å; Y727-F748 HydrophobicContact CE2-CD2 4.18Å; Y727-F748 AromaticContact CE2-CE1 3.81Å; Y727-F748 HydrophobicContact CE2-CE1 3.81Å; Y727-F748 AromaticContact CE2-CE2 3.9Å; Y727-F748 HydrophobicContact CE2-CE2 3.9Å; Y727-F748 HydrophobicContact CE2-CG 4.27Å; Y727-F748 AromaticContact CE2-CZ 3.7Å; Y727-F748 HydrophobicContact CE2-CZ 3.7Å; Y727-F750 CarbonylContact O-C 3.6Å; Y727-A751 PolarHBondContact O-N 3.05Å; Y727-D785 PolarHBondContact N-OD2 3.48Å
728	R	97.3	Very high	93	Very high	11 Å²	11	20.5 Å²	20.5	4%	0.042	11%	0.107	C	C	.	.			trans	66.4	10.6	166.8	-44.6	-171.6	-63.4	150.6	11.8	117.9	L726 F750 T762 C764 G765 H780 D785	L726-R728 HydrophobicContact CB-CG 3.63Å; R728-F750 HydrophobicContact CB-CB 4.45Å; R728-F750 VanDerWaalsContact CZ-O 3.26Å; R728-F750 PolarHBondContact NE-O 2.82Å; R728-F750 PolarHBondContact NH2-O 2.82Å; R728-T762 PolarHBondContact NH1-O 3Å; R728-C764 PolarHBondContact NH1-SG 3.27Å; R728-C764 PolarHBondContact NH2-SG 3.38Å; R728-C764 VanDerWaalsContact NH2-SG 3.39Å; R728-G765 WeakPolarHBondContact O-CA 2.97Å; R728-H780 WeakPolarHBondContact CD-NE2 3.29Å; R728-H780 PolarHBondContact NH1-NE2 3.36Å; R728-D785 PolarHBondContact N-OD1 2.66Å
729	D	96.3	Very high	93.1	Very high	14 Å²	14	24.4 Å²	24.4	8%	0.075	12%	0.122	C	C	.	.			trans	-143.8	50.2	166.2	-153.4	38.7	0	0	0	111.6	Y727 K731 N734 F750 T766	Y727-D729 VanDerWaalsContact C-N 3.31Å; Y727-D729 WeakPolarHBondContact CE1-O 3.31Å; Y727-D729 PolarHBondContact O-N 3.26Å; D729-K731 PolarHBondContact O-N 3.29Å; D729-K731 IonicContact OD1-NZ 2.82Å; D729-K731 WeakPolarHBondContact OD2-CE 3.29Å; D729-K731 IonicContact OD2-NZ 2.99Å; D729-K731 PolarHBondContact OD2-NZ 2.86Å; D729-N734 PolarHBondContact O-ND2 3.39Å; D729-N734 PolarHBondContact OD2-ND2 3.33Å; D729-F750 HydrophobicContact CB-CB 4.44Å; D729-F750 HydrophobicContact CB-CD2 3.71Å; D729-F750 HydrophobicContact CB-CE2 4.38Å; D729-F750 HydrophobicContact CB-CG 4.44Å; D729-T766 WeakPolarHBondContact OD1-CB 3.19Å; D729-T766 PolarHBondContact OD1-N 2.63Å; D729-T766 PolarHBondContact OD1-OG1 3.27Å
730	L	98.5	Very high	93.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.			trans	-71.4	123.9	173.7	-177.1	71	0	0	0	110.3	V713 F717 Y727 L735 L745 Y769 L789 L792	V713-L730 HydrophobicContact CG1-CD1 3.74Å; V713-L730 HydrophobicContact CG1-CD2 3.97Å; V713-L730 HydrophobicContact CG2-CD1 4.27Å; F717-L730 HydrophobicContact CE2-CD2 3.98Å; F717-L730 HydrophobicContact CZ-CB 4.12Å; F717-L730 HydrophobicContact CZ-CD1 4.2Å; F717-L730 HydrophobicContact CZ-CD2 3.73Å; F717-L730 HydrophobicContact CZ-CG 4.23Å; Y727-L730 HydrophobicContact CD1-CB 4.13Å; Y727-L730 HydrophobicContact CE1-CB 4.28Å; Y727-L730 HydrophobicContact CE1-CD1 4.48Å; L730-L735 HydrophobicContact CD1-CD1 4.47Å; L730-L735 HydrophobicContact CD1-CD2 4.17Å; L730-L745 HydrophobicContact CD1-CD2 3.74Å; L730-Y769 WeakPolarHBondContact O-CD1 3.34Å; L730-Y769 VanDerWaalsContact O-CE1 3.27Å; L730-Y769 WeakPolarHBondContact O-CE1 3.48Å; L730-Y769 VanDerWaalsContact O-CG 3.3Å; L730-L789 HydrophobicContact CD2-CB 4.25Å; L730-L789 HydrophobicContact CD2-CD1 3.85Å; L730-L792 HydrophobicContact CD1-CD2 4.06Å; L730-L792 HydrophobicContact CD2-CB 4.18Å; L730-L792 HydrophobicContact CD2-CD2 3.81Å; L730-L792 HydrophobicContact CG-CD2 3.98Å
731	K	97.2	Very high	93.2	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.035	13%	0.132	C	C	.	.	S	Bend	trans	-168.1	161.4	175.5	58.9	-176.6	166.9	-166.8	0	109.9	K280 D729 E733 N734 T766 Y769	K280-K731 PolarHBondContact O-NZ 2.93Å; D729-K731 PolarHBondContact O-N 3.29Å; D729-K731 IonicContact OD1-NZ 2.82Å; D729-K731 WeakPolarHBondContact OD2-CE 3.29Å; D729-K731 IonicContact OD2-NZ 2.99Å; D729-K731 PolarHBondContact OD2-NZ 2.86Å; K731-E733 WeakPolarHBondContact CB-OE2 3.32Å; K731-E733 HydrophobicContact CD-CB 4.15Å; K731-E733 WeakPolarHBondContact CD-OE2 3.45Å; K731-E733 HydrophobicContact CG-CB 4.16Å; K731-E733 WeakPolarHBondContact CG-OE2 3.22Å; K731-E733 PolarHBondContact O-N 2.96Å; K731-E733 VanDerWaalsContact O-N 3.15Å; K731-N734 VanDerWaalsContact CE-CG 3.42Å; K731-N734 VanDerWaalsContact CE-ND2 3.28Å; K731-N734 WeakPolarHBondContact CE-ND2 3.36Å; K731-N734 VanDerWaalsContact CE-OD1 3.25Å; K731-N734 WeakPolarHBondContact CE-OD1 3.38Å; K731-N734 HydrophobicContact CG-CB 4.1Å; K731-N734 PolarHBondContact O-N 2.94Å; K731-T766 HydrophobicContact CD-CG2 4.22Å; K731-T766 WeakPolarHBondContact CD-OG1 3.35Å; K731-T766 PolarHBondContact NZ-OG1 3.46Å; K731-Y769 HydrophobicContact CB-CD2 4.15Å; K731-Y769 HydrophobicContact CB-CE1 4.43Å; K731-Y769 HydrophobicContact CB-CE2 3.74Å
732	P	97.2	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-55.5	-29.2	179.1	-27.1	35.1	0	0	0	114.9	W692 L695 N734 L735 Y769 L792	W692-P732 HydrophobicContact CB-CB 3.82Å; W692-P732 HydrophobicContact CG-CB 4.46Å; W692-P732 PolarHBondContact N-O 3.09Å; W692-P732 VanDerWaalsContact N-O 3.13Å; L695-P732 HydrophobicContact CD2-CB 4.45Å; L695-P732 HydrophobicContact CD2-CG 4.02Å; P732-N734 VanDerWaalsContact C-N 3.29Å; P732-N734 PolarHBondContact O-N 3.37Å; P732-L735 PolarHBondContact O-N 2.83Å; P732-Y769 WeakPolarHBondContact CD-OH 3.43Å; P732-L792 HydrophobicContact CG-CD1 3.8Å
733	E	94.3	Very high	94.5	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.075	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-67.8	-28.4	178.1	-63.4	89	152.1	0	0	112.8	K279 K280 W692 K731 L735	K279-E733 HydrophobicContact CB-CG 4.14Å; K279-E733 HydrophobicContact CD-CG 4.45Å; K279-E733 HydrophobicContact CG-CG 4.07Å; K280-E733 WeakPolarHBondContact CB-OE1 3.39Å; K280-E733 PolarHBondContact N-OE1 3.17Å; W692-E733 HydrophobicContact CB-CG 4.02Å; W692-E733 HydrophobicContact CD2-CG 4.44Å; W692-E733 HydrophobicContact CG-CG 3.77Å; W692-E733 PolarHBondContact NE1-OE1 3.3Å; K731-E733 WeakPolarHBondContact CB-OE2 3.32Å; K731-E733 HydrophobicContact CD-CB 4.15Å; K731-E733 WeakPolarHBondContact CD-OE2 3.45Å; K731-E733 HydrophobicContact CG-CB 4.16Å; K731-E733 WeakPolarHBondContact CG-OE2 3.22Å; K731-E733 PolarHBondContact O-N 2.96Å; K731-E733 VanDerWaalsContact O-N 3.15Å; E733-L735 VanDerWaalsContact C-N 3.34Å
734	N	96	Very high	95.2	Very high	14 Å²	14	18.7 Å²	18.7	8%	0.075	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-97.6	15.4	-178.6	-70.1	3.9	0	0	0	112.1	D729 K731 P732 C746	D729-N734 PolarHBondContact O-ND2 3.39Å; D729-N734 PolarHBondContact OD2-ND2 3.33Å; K731-N734 VanDerWaalsContact CE-CG 3.42Å; K731-N734 VanDerWaalsContact CE-ND2 3.28Å; K731-N734 WeakPolarHBondContact CE-ND2 3.36Å; K731-N734 VanDerWaalsContact CE-OD1 3.25Å; K731-N734 WeakPolarHBondContact CE-OD1 3.38Å; K731-N734 HydrophobicContact CG-CB 4.1Å; K731-N734 PolarHBondContact O-N 2.94Å; P732-N734 VanDerWaalsContact C-N 3.29Å; P732-N734 PolarHBondContact O-N 3.37Å; N734-C746 WeakPolarHBondContact CB-O 3.4Å; N734-C746 PolarHBondContact O-N 3.26Å
735	L	97.9	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.3	177.3	-65.6	174.4	0	0	0	108.9	L691 V709 V713 L730 P732 E733 V743 L745 L792	L691-L735 HydrophobicContact CB-CB 3.86Å; L691-L735 WeakPolarHBondContact CB-O 3.45Å; L691-L735 HydrophobicContact CD2-CB 4.09Å; L691-L735 HydrophobicContact CD2-CD1 3.71Å; L691-L735 PolarHBondContact N-O 3.05Å; V709-L735 HydrophobicContact CG1-CD1 4.36Å; V713-L735 HydrophobicContact CG2-CD1 4.2Å; V713-L735 HydrophobicContact CG2-CD2 3.74Å; L730-L735 HydrophobicContact CD1-CD1 4.47Å; L730-L735 HydrophobicContact CD1-CD2 4.17Å; P732-L735 PolarHBondContact O-N 2.83Å; E733-L735 VanDerWaalsContact C-N 3.34Å; L735-V743 HydrophobicContact CB-CG1 3.95Å; L735-V743 HydrophobicContact CD1-CG1 4.46Å; L735-V743 HydrophobicContact CD2-CG1 3.65Å; L735-V743 HydrophobicContact CG-CG1 4.23Å; L735-L745 HydrophobicContact CD2-CD2 3.54Å; L735-L745 HydrophobicContact CD2-CG 4.48Å; L735-L792 HydrophobicContact CD1-CD1 4.22Å; L735-L792 HydrophobicContact CD1-CD2 3.79Å
736	L	96	Very high	96	Very high	41 Å²	41	19.1 Å²	19.1	22%	0.215	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.7	174.4	-59.7	-174.7	0	0	0	111	C686 G689 E690 V743 K744 C746	C686-L736 HydrophobicContact CB-CB 3.55Å; C686-L736 HydrophobicContact CB-CD1 3.77Å; C686-L736 HydrophobicContact CB-CG 4.31Å; G689-L736 CarbonylContact O-C 3.46Å; G689-L736 WeakPolarHBondContact O-CA 3.33Å; E690-L736 HydrophobicContact CB-CD2 4.14Å; E690-L736 HydrophobicContact CG-CD2 3.52Å; L736-V743 CarbonylContact O-C 3.45Å; L736-V743 WeakPolarHBondContact O-CA 3.24Å; L736-K744 PolarHBondContact N-O 2.92Å; L736-K744 PolarHBondContact O-N 3.16Å; L736-C746 HydrophobicContact CD1-CB 4.15Å; L736-C746 VanDerWaalsContact CD1-SG 3.52Å; L736-C746 HydrophobicContact CG-CB 4.03Å; L736-C746 WeakPolarHBondContact CG-SG 3.49Å
737	L	96	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.1	172.7	-65.4	167.2	0	0	0	110.1	C686 G688 G689 L691 V694 G741 Y742 V743 I882	C686-L737 CarbonylContact C-O 3.42Å; C686-L737 VanDerWaalsContact C-O 3.25Å; C686-L737 WeakPolarHBondContact CB-O 3.38Å; G688-L737 VanDerWaalsContact CA-O 3.28Å; G688-L737 WeakPolarHBondContact CA-O 3.4Å; G688-L737 PolarHBondContact N-O 2.49Å; G689-L737 PolarHBondContact O-N 2.87Å; L691-L737 HydrophobicContact CD1-CD1 4.36Å; L691-L737 HydrophobicContact CD1-CD2 4.22Å; L691-L737 HydrophobicContact CD1-CG 4.44Å; V694-L737 HydrophobicContact CG2-CD1 3.91Å; L737-G741 WeakPolarHBondContact CD2-O 3.23Å; L737-Y742 WeakPolarHBondContact CA-O 3.33Å; L737-V743 HydrophobicContact CD2-CG2 3.62Å; L737-I882 HydrophobicContact CD1-CB 4.46Å; L737-I882 HydrophobicContact CD1-CD1 4.25Å; L737-I882 HydrophobicContact CD1-CG2 3.9Å; L737-I882 HydrophobicContact CD2-CD1 4.07Å
738	D	92.6	Very high	95.7	Very high	22 Å²	22	21.8 Å²	21.8	12%	0.118	11%	0.105	C	C	.	.			trans	-83.6	-176.7	167.9	84	-4.1	0	0	0	112.1	K740 G741 Y742 K744 P884	D738-K740 PolarHBondContact O-N 3.31Å; D738-K740 VanDerWaalsContact O-N 3.14Å; D738-K740 WeakPolarHBondContact OD1-CA 3.46Å; D738-K740 WeakPolarHBondContact OD1-CB 3.48Å; D738-K740 PolarHBondContact OD1-N 3.19Å; D738-G741 PolarHBondContact O-N 3.22Å; D738-G741 VanDerWaalsContact O-N 3.1Å; D738-G741 PolarHBondContact OD1-N 3.35Å; D738-G741 VanDerWaalsContact OD1-N 3.15Å; D738-Y742 PolarHBondContact N-O 3.04Å; D738-Y742 WeakPolarHBondContact OD1-CB 3.34Å; D738-Y742 PolarHBondContact OD1-N 3.4Å; D738-K744 HydrophobicContact CB-CD 4.12Å; D738-P884 WeakPolarHBondContact O-CG 3.49Å
739	H	90.2	Very high	95.3	Very high	119 Å²	119	21.9 Å²	21.9	55%	0.551	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-5.4	-178.6	69	-83.8	0	0	0	115.5	I886	H739-I886 VanDerWaalsContact CA-CD1 3.47Å; H739-I886 HydrophobicContact CB-CD1 3.52Å
740	K	92.1	Very high	95.1	Very high	102 Å²	102	22.6 Å²	22.6	44%	0.443	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-1.1	174.4	-58.6	-175.3	178.3	-177.2	0	112.4	D738 Y742 A880 Q883	D738-K740 PolarHBondContact O-N 3.31Å; D738-K740 VanDerWaalsContact O-N 3.14Å; D738-K740 WeakPolarHBondContact OD1-CA 3.46Å; D738-K740 WeakPolarHBondContact OD1-CB 3.48Å; D738-K740 PolarHBondContact OD1-N 3.19Å; K740-Y742 HydrophobicContact CB-CD2 4.02Å; K740-A880 WeakPolarHBondContact O-CB 3.43Å; K740-Q883 PolarHBondContact O-NE2 2.8Å
741	G	94.9	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	82.1	12.3	-172.7	0	0	0	0	0	115	L737 D738 I882	L737-G741 WeakPolarHBondContact CD2-O 3.23Å; D738-G741 PolarHBondContact O-N 3.22Å; D738-G741 VanDerWaalsContact O-N 3.1Å; D738-G741 PolarHBondContact OD1-N 3.35Å; D738-G741 VanDerWaalsContact OD1-N 3.15Å; G741-I882 VanDerWaalsContact CA-O 3.28Å; G741-I882 WeakPolarHBondContact CA-O 3.43Å
742	Y	97.7	Very high	94.8	Very high	18 Å²	18	24.5 Å²	24.5	7%	0.071	12%	0.121	C	C	.	.			trans	-77.4	138.7	174.1	-86.6	-112.1	0	0	0	110.5	F665 F708 L737 D738 K740 L873 G876 L878 A880	F665-Y742 AromaticContact CE1-CD1 3.88Å; F665-Y742 HydrophobicContact CE1-CD1 3.88Å; F665-Y742 HydrophobicContact CE1-CE1 4.18Å; F708-Y742 HydrophobicContact CZ-CD1 4.2Å; F708-Y742 HydrophobicContact CZ-CD2 4.02Å; F708-Y742 HydrophobicContact CZ-CE1 4.13Å; F708-Y742 AromaticContact CZ-CE2 3.93Å; F708-Y742 HydrophobicContact CZ-CE2 3.93Å; F708-Y742 HydrophobicContact CZ-CG 4.16Å; F708-Y742 AromaticContact CZ-CZ 3.99Å; L737-Y742 WeakPolarHBondContact CA-O 3.33Å; D738-Y742 PolarHBondContact N-O 3.04Å; D738-Y742 WeakPolarHBondContact OD1-CB 3.34Å; D738-Y742 PolarHBondContact OD1-N 3.4Å; K740-Y742 HydrophobicContact CB-CD2 4.02Å; Y742-L873 HydrophobicContact CD1-CD1 4.33Å; Y742-L873 HydrophobicContact CE1-CD1 3.67Å; Y742-L873 HydrophobicContact CE1-CG 4.34Å; Y742-L873 WeakPolarHBondContact CE1-O 3.37Å; Y742-G876 VanDerWaalsContact OH-CA 3.3Å; Y742-G876 WeakPolarHBondContact OH-CA 3.46Å; Y742-L878 PolarHBondContact OH-N 3.49Å; Y742-L878 PolarHBondContact OH-O 3.46Å; Y742-A880 HydrophobicContact CD2-CB 4.31Å; Y742-A880 HydrophobicContact CE2-CB 4.47Å
743	V	98.3	Very high	94.4	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.2	-177	175.6	0	0	0	0	111.2	L691 V709 C712 L735 L736 L737	L691-V743 HydrophobicContact CD1-CG2 4.48Å; V709-V743 HydrophobicContact CB-CG2 4.43Å; V709-V743 HydrophobicContact CG1-CG2 4.34Å; V709-V743 HydrophobicContact CG2-CG2 4.07Å; C712-V743 HydrophobicContact CB-CB 3.75Å; C712-V743 HydrophobicContact CB-CG1 4.45Å; L735-V743 HydrophobicContact CB-CG1 3.95Å; L735-V743 HydrophobicContact CD1-CG1 4.46Å; L735-V743 HydrophobicContact CD2-CG1 3.65Å; L735-V743 HydrophobicContact CG-CG1 4.23Å; L736-V743 CarbonylContact O-C 3.45Å; L736-V743 WeakPolarHBondContact O-CA 3.24Å; L737-V743 HydrophobicContact CD2-CG2 3.62Å
744	K	98.5	Very high	93.9	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	177.9	-71.6	165.8	174.7	-79.1	0	111.4	P664 F665 E684 C686 L736 D738 C746	P664-K744 PolarHBondContact O-NZ 3.33Å; F665-K744 WeakPolarHBondContact O-CA 3.45Å; E684-K744 VanDerWaalsContact OE1-CE 3.24Å; E684-K744 WeakPolarHBondContact OE1-CE 3.49Å; E684-K744 IonicContact OE1-NZ 3.55Å; E684-K744 PolarHBondContact OE1-NZ 3.04Å; E684-K744 IonicContact OE2-NZ 3.61Å; E684-K744 PolarHBondContact OE2-NZ 3.22Å; C686-K744 VanDerWaalsContact SG-CD 3.51Å; L736-K744 PolarHBondContact N-O 2.92Å; L736-K744 PolarHBondContact O-N 3.16Å; D738-K744 HydrophobicContact CB-CD 4.12Å; K744-C746 PolarHBondContact O-SG 3.42Å; K744-C746 VanDerWaalsContact O-SG 3.33Å
745	L	98.3	Very high	92.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135	168.8	-70.4	178	0	0	0	110.8	F665 I666 C667 A716 F717 L720 Y727 L730 L735 F748	F665-L745 PolarHBondContact O-N 3.26Å; I666-L745 HydrophobicContact CG1-CB 4.44Å; C667-L745 WeakPolarHBondContact CB-O 3.48Å; C667-L745 PolarHBondContact N-O 3.26Å; A716-L745 HydrophobicContact CB-CD1 3.47Å; A716-L745 VanDerWaalsContact CB-CD1 3.47Å; A716-L745 HydrophobicContact CB-CG 3.87Å; F717-L745 HydrophobicContact CD1-CD1 3.94Å; F717-L745 HydrophobicContact CE1-CD1 3.94Å; L720-L745 HydrophobicContact CD1-CD1 3.84Å; Y727-L745 HydrophobicContact CD1-CD2 4.38Å; Y727-L745 HydrophobicContact CD2-CD1 4.18Å; Y727-L745 HydrophobicContact CE1-CD2 3.81Å; Y727-L745 HydrophobicContact CE2-CB 4.11Å; Y727-L745 HydrophobicContact CE2-CD1 4.16Å; Y727-L745 HydrophobicContact CE2-CD2 4.35Å; Y727-L745 HydrophobicContact CE2-CG 4.46Å; Y727-L745 HydrophobicContact CG-CD1 4.4Å; L730-L745 HydrophobicContact CD1-CD2 3.74Å; L735-L745 HydrophobicContact CD2-CD2 3.54Å; L735-L745 HydrophobicContact CD2-CG 4.48Å; L745-F748 HydrophobicContact CB-CE2 4.31Å; L745-F748 HydrophobicContact CB-CZ 4.17Å
746	C	94.8	Very high	91.3	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.088	18%	0.177	C	C	.	.			trans	-141.7	151.9	-176.1	-59.9	0	0	0	0	111	C667 Y727 N734 L736 K744	C667-C746 HydrophobicContact CB-CB 4.4Å; C667-C746 WeakPolarHBondContact CB-SG 3.24Å; Y727-C746 PolarHBondContact OH-N 3.29Å; Y727-C746 PolarHBondContact OH-O 3.36Å; N734-C746 WeakPolarHBondContact CB-O 3.4Å; N734-C746 PolarHBondContact O-N 3.26Å; L736-C746 HydrophobicContact CD1-CB 4.15Å; L736-C746 VanDerWaalsContact CD1-SG 3.52Å; L736-C746 HydrophobicContact CG-CB 4.03Å; L736-C746 WeakPolarHBondContact CG-SG 3.49Å; K744-C746 PolarHBondContact O-SG 3.42Å; K744-C746 VanDerWaalsContact O-SG 3.33Å
747	D	90.5	Very high	89.7	Confident	65 Å²	65	34.9 Å²	34.9	35%	0.348	18%	0.179	S	C	.	.			trans	66.4	96.9	-171.8	-153.1	-33.3	0	0	0	113.7	K635 G749	K635-D747 IonicContact NZ-OD1 3.71Å; K635-D747 IonicContact NZ-OD2 3.02Å; D747-G749 PolarHBondContact OD1-N 2.81Å
748	F	94.5	Very high	88.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.			trans	-99.9	20.9	179.8	-77.5	-106.3	0	0	0	111.7	E654 I657 M658 L661 I666 L720 Y727 L745 F750 A751	E654-F748 HydrophobicContact CG-CB 4.01Å; I657-F748 HydrophobicContact CG2-CD1 3.92Å; M658-F748 HydrophobicContact CE-CD2 3.8Å; M658-F748 HydrophobicContact CE-CE2 4.24Å; M658-F748 HydrophobicContact CG-CB 3.65Å; M658-F748 HydrophobicContact CG-CD1 4.41Å; M658-F748 HydrophobicContact CG-CD2 3.73Å; M658-F748 HydrophobicContact CG-CG 3.66Å; M658-F748 HydrophobicContact SD-CB 3.88Å; M658-F748 HydrophobicContact SD-CD2 3.7Å; M658-F748 HydrophobicContact SD-CG 4.06Å; L661-F748 HydrophobicContact CD1-CD1 3.96Å; L661-F748 HydrophobicContact CD1-CE1 3.45Å; L661-F748 VanDerWaalsContact CD1-CE1 3.45Å; L661-F748 HydrophobicContact CD1-CE2 4.38Å; L661-F748 HydrophobicContact CD1-CZ 3.69Å; I666-F748 HydrophobicContact CD1-CZ 4.37Å; I666-F748 HydrophobicContact CG1-CZ 4.48Å; I666-F748 HydrophobicContact CG2-CE2 3.74Å; I666-F748 HydrophobicContact CG2-CZ 3.55Å; L720-F748 HydrophobicContact CD1-CE1 3.9Å; L720-F748 HydrophobicContact CD1-CZ 4.29Å; L720-F748 HydrophobicContact CD2-CE1 3.85Å; Y727-F748 HydrophobicContact CD2-CD1 4.07Å; Y727-F748 AromaticContact CD2-CE1 3.72Å; Y727-F748 HydrophobicContact CD2-CE1 3.72Å; Y727-F748 HydrophobicContact CD2-CZ 4.02Å; Y727-F748 HydrophobicContact CE2-CD1 4.11Å; Y727-F748 HydrophobicContact CE2-CD2 4.18Å; Y727-F748 AromaticContact CE2-CE1 3.81Å; Y727-F748 HydrophobicContact CE2-CE1 3.81Å; Y727-F748 AromaticContact CE2-CE2 3.9Å; Y727-F748 HydrophobicContact CE2-CE2 3.9Å; Y727-F748 HydrophobicContact CE2-CG 4.27Å; Y727-F748 AromaticContact CE2-CZ 3.7Å; Y727-F748 HydrophobicContact CE2-CZ 3.7Å; L745-F748 HydrophobicContact CB-CE2 4.31Å; L745-F748 HydrophobicContact CB-CZ 4.17Å; F748-F750 PolarHBondContact O-N 3.08Å; F748-F750 VanDerWaalsContact O-N 3.16Å; F748-A751 HydrophobicContact CB-CB 3.86Å; F748-A751 HydrophobicContact CD1-CB 3.55Å; F748-A751 HydrophobicContact CG-CB 4.15Å; F748-A751 WeakPolarHBondContact O-CB 3.38Å; F748-A751 PolarHBondContact O-N 3.29Å
749	G	90.4	Very high	88.2	Confident	14 Å²	14	41.9 Å²	41.9	14%	0.144	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.8	-177.2	0	0	0	0	0	114.9	D747	D747-G749 PolarHBondContact OD1-N 2.81Å
750	F	91.5	Very high	88.1	Confident	29 Å²	29	36.4 Å²	36.4	13%	0.127	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.5	173.5	-60.4	-14.6	0	0	0	113.9	V283 Y727 R728 D729 F748 C764	V283-F750 VanDerWaalsContact O-CE2 3.3Å; V283-F750 WeakPolarHBondContact O-CE2 3.22Å; V283-F750 VanDerWaalsContact O-CZ 3.32Å; V283-F750 WeakPolarHBondContact O-CZ 3.34Å; Y727-F750 CarbonylContact O-C 3.6Å; R728-F750 HydrophobicContact CB-CB 4.45Å; R728-F750 VanDerWaalsContact CZ-O 3.26Å; R728-F750 PolarHBondContact NE-O 2.82Å; R728-F750 PolarHBondContact NH2-O 2.82Å; D729-F750 HydrophobicContact CB-CB 4.44Å; D729-F750 HydrophobicContact CB-CD2 3.71Å; D729-F750 HydrophobicContact CB-CE2 4.38Å; D729-F750 HydrophobicContact CB-CG 4.44Å; F748-F750 PolarHBondContact O-N 3.08Å; F748-F750 VanDerWaalsContact O-N 3.16Å; F750-C764 HydrophobicContact CB-CB 4.44Å; F750-C764 HydrophobicContact CD1-CB 4.46Å; F750-C764 HydrophobicContact CD2-CB 4.04Å; F750-C764 HydrophobicContact CE2-CB 4.47Å; F750-C764 HydrophobicContact CG-CB 4.08Å
751	A	95.2	Very high	88	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.025	17%	0.169	C	C	.	.			trans	-67	140.9	179.4	0	0	0	0	0	110.9	I657 I725 L726 Y727 F748	I657-A751 HydrophobicContact CD1-CB 4.02Å; I657-A751 WeakPolarHBondContact CD1-O 3.4Å; I725-A751 HydrophobicContact CG2-CB 4.45Å; L726-A751 CarbonylContact O-C 3.47Å; L726-A751 WeakPolarHBondContact O-CA 3.44Å; Y727-A751 PolarHBondContact O-N 3.05Å; F748-A751 HydrophobicContact CB-CB 3.86Å; F748-A751 HydrophobicContact CD1-CB 3.55Å; F748-A751 HydrophobicContact CG-CB 4.15Å; F748-A751 WeakPolarHBondContact O-CB 3.38Å; F748-A751 PolarHBondContact O-N 3.29Å
752	K	93.3	Very high	87.5	Confident	44 Å²	44	33.3 Å²	33.3	19%	0.191	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.7	-176.2	-168	172.8	-176	179.6	0	110.7	L726 V754 T760 T762	L726-K752 PolarHBondContact N-O 3.36Å; L726-K752 PolarHBondContact O-N 3.06Å; K752-V754 HydrophobicContact CB-CG2 4.25Å; K752-V754 HydrophobicContact CD-CG2 4.26Å; K752-V754 HydrophobicContact CG-CG2 4.01Å; K752-V754 PolarHBondContact O-N 3.32Å; K752-T760 HydrophobicContact CD-CG2 4.48Å; K752-T760 PolarHBondContact NZ-OG1 3.47Å; K752-T762 PolarHBondContact NZ-OG1 2.95Å
753	R	90.3	Very high	87.1	Confident	113 Å²	113	32.6 Å²	32.6	43%	0.426	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	106.6	167.4	-170.2	180	-70.7	-84.6	12.6	108	E660 Q723 I725	E660-R753 IonicContact OE2-CZ 3.9Å; E660-R753 IonicContact OE2-NE 3.23Å; E660-R753 IonicContact OE2-NH2 3.53Å; E660-R753 PolarHBondContact OE2-NH2 3.35Å; Q723-R753 PolarHBondContact O-NH1 2.64Å; I725-R753 HydrophobicContact CG1-CB 4.24Å; I725-R753 HydrophobicContact CG1-CG 4.25Å
754	V	83.5	Confident	86.7	Confident	21 Å²	21	32.6 Å²	32.6	13%	0.127	17%	0.166	C	C	.	.			trans	-101	-31.9	-179.4	177.3	0	0	0	0	110.6	G724 L726 K752 K758 T760	G724-V754 PolarHBondContact O-N 3.46Å; L726-V754 HydrophobicContact CD1-CB 4.3Å; L726-V754 HydrophobicContact CD1-CG2 3.66Å; L726-V754 HydrophobicContact CG-CB 4.29Å; L726-V754 HydrophobicContact CG-CG2 3.85Å; K752-V754 HydrophobicContact CB-CG2 4.25Å; K752-V754 HydrophobicContact CD-CG2 4.26Å; K752-V754 HydrophobicContact CG-CG2 4.01Å; K752-V754 PolarHBondContact O-N 3.32Å; V754-K758 HydrophobicContact CG1-CB 3.74Å; V754-K758 WeakPolarHBondContact CG1-O 3.43Å; V754-K758 VanDerWaalsContact O-CD 3.31Å; V754-K758 WeakPolarHBondContact O-CD 3.21Å; V754-T760 HydrophobicContact CG2-CG2 3.75Å
755	G	69.8	Low	86.4	Confident	30 Å²	30	32.2 Å²	32.2	31%	0.309	17%	0.166	S	C	.	.			trans	82.2	159.2	-173.9	0	0	0	0	0	112.5	G724	G724-G755 PolarHBondContact O-N 2.61Å
756	H	68.2	Low	86.2	Confident	99 Å²	99	32.1 Å²	32.1	46%	0.458	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	141.9	-175.8	-54.7	115.4	0	0	0	112.4	E443 H721 T722 K758	E443-H756 HydrophobicContact CG-CB 4.24Å; E443-H756 WeakPolarHBondContact OE1-CB 3.2Å; E443-H756 IonicContact OE1-CG 3.15Å; E443-H756 IonicContact OE1-ND1 2.63Å; H721-H756 PolarHBondContact O-NE2 2.86Å; T722-H756 PolarHBondContact O-CE1 2.81Å; T722-H756 PolarHBondContact O-NE2 3.36Å; H756-K758 PolarHBondContact O-N 3.46Å
757	G	63.5	Low	86.1	Confident	26 Å²	26	32 Å²	32	27%	0.268	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	37.1	-178.5	0	0	0	0	0	113	K446	K446-G757 WeakPolarHBondContact CD-O 3.41Å; K446-G757 WeakPolarHBondContact CE-O 3.34Å; K446-G757 PolarHBondContact NZ-O 3.34Å
758	K	72.8	Confident	86.3	Confident	125 Å²	125	30.7 Å²	30.7	54%	0.543	16%	0.156	S	C	.	.			trans	-133	150.1	173.3	-71	-177.6	178	-177	0	108.9	V754 H756	V754-K758 HydrophobicContact CG1-CB 3.74Å; V754-K758 WeakPolarHBondContact CG1-O 3.43Å; V754-K758 VanDerWaalsContact O-CD 3.31Å; V754-K758 WeakPolarHBondContact O-CD 3.21Å; H756-K758 PolarHBondContact O-N 3.46Å
759	K	84.4	Confident	86.5	Confident	44 Å²	44	30.9 Å²	30.9	19%	0.191	16%	0.157	C	C	.	.			trans	-109.5	163	175.3	-71.6	174.4	174.8	171.9	0	110.3	D450 W761 H780 D781	D450-K759 IonicContact OD1-NZ 2.66Å; D450-K759 PolarHBondContact OD1-NZ 3.03Å; D450-K759 WeakPolarHBondContact OD2-CE 3.45Å; D450-K759 IonicContact OD2-NZ 2.94Å; D450-K759 PolarHBondContact OD2-NZ 3.09Å; K759-W761 HydrophobicContact CB-CH2 3.99Å; K759-W761 HydrophobicContact CB-CZ2 4.14Å; K759-W761 HydrophobicContact CB-CZ3 4.42Å; K759-W761 VanDerWaalsContact O-CZ3 3.29Å; K759-W761 WeakPolarHBondContact O-CZ3 3.4Å; K759-H780 CarbonylContact C-O 3.58Å; K759-H780 VanDerWaalsContact CA-O 3.3Å; K759-H780 WeakPolarHBondContact CA-O 3.34Å; K759-D781 HydrophobicContact CG-CB 4.43Å
760	T	88	Confident	86.8	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.031	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-127.5	154.5	170.4	173.2	0	0	0	0	109.3	L726 K752 V754 G779 H780	L726-T760 HydrophobicContact CD1-CG2 3.82Å; K752-T760 HydrophobicContact CD-CG2 4.48Å; K752-T760 PolarHBondContact NZ-OG1 3.47Å; V754-T760 HydrophobicContact CG2-CG2 3.75Å; T760-G779 WeakPolarHBondContact O-CA 3.46Å; T760-H780 WeakPolarHBondContact CG2-O 3.49Å; T760-H780 PolarHBondContact N-O 2.92Å; T760-H780 PolarHBondContact O-N 2.81Å; T760-H780 PolarHBondContact O-ND1 2.77Å
761	W	88.8	Confident	87	Confident	37 Å²	37	29 Å²	29	14%	0.14	15%	0.145	C	C	.	.			trans	-118	2.7	-178.1	-65.5	-97.7	0	0	0	113.4	M417 I421 K759 F763 N777	M417-W761 HydrophobicContact CB-CD2 4.37Å; M417-W761 HydrophobicContact CB-CG 4.28Å; M417-W761 HydrophobicContact CG-CD2 3.72Å; M417-W761 HydrophobicContact CG-CE3 4.08Å; M417-W761 HydrophobicContact CG-CG 4.13Å; M417-W761 HydrophobicContact CG-CH2 4.39Å; M417-W761 HydrophobicContact CG-CZ2 4.05Å; M417-W761 HydrophobicContact CG-CZ3 4.41Å; M417-W761 HydrophobicContact SD-CD2 3.95Å; M417-W761 HydrophobicContact SD-CE3 3.81Å; M417-W761 HydrophobicContact SD-CG 4.37Å; M417-W761 HydrophobicContact SD-CZ3 4.26Å; I421-W761 HydrophobicContact CD1-CH2 4.19Å; I421-W761 HydrophobicContact CD1-CZ2 4.43Å; I421-W761 HydrophobicContact CG1-CH2 4.13Å; I421-W761 HydrophobicContact CG1-CZ2 4.09Å; K759-W761 HydrophobicContact CB-CH2 3.99Å; K759-W761 HydrophobicContact CB-CZ2 4.14Å; K759-W761 HydrophobicContact CB-CZ3 4.42Å; K759-W761 VanDerWaalsContact O-CZ3 3.29Å; K759-W761 WeakPolarHBondContact O-CZ3 3.4Å; W761-F763 PolarHBondContact O-N 3.01Å; W761-N777 PolarHBondContact O-OD1 2.94Å
762	T	85.9	Confident	87	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.			trans	-65.2	103	173.1	-42.8	0	0	0	0	110	S287 R728 K752 C764 H780	S287-T762 WeakPolarHBondContact CA-OG1 3.32Å; S287-T762 WeakPolarHBondContact CB-OG1 3.42Å; S287-T762 VanDerWaalsContact OG-CG2 3.26Å; S287-T762 WeakPolarHBondContact OG-CG2 3.39Å; S287-T762 PolarHBondContact OG-OG1 2.97Å; R728-T762 PolarHBondContact NH1-O 3Å; K752-T762 PolarHBondContact NZ-OG1 2.95Å; T762-C764 PolarHBondContact O-N 3.26Å; T762-H780 PolarHBondContact O-CE1 2.95Å; T762-H780 PolarHBondContact O-NE2 2.86Å
763	F	88.7	Confident	87	Confident	3 Å²	3	27.2 Å²	27.2	1%	0.013	14%	0.137	C	C	.	.			trans	-57.8	118.4	168.3	-172.3	-68.6	0	0	0	109.1	V283 S284 G285 L387 Y388 W761 V770 I774 Y812	V283-F763 HydrophobicContact CG2-CD1 4.43Å; V283-F763 HydrophobicContact CG2-CE1 3.86Å; S284-F763 CarbonylContact C-O 3.5Å; S284-F763 WeakPolarHBondContact CA-O 3.4Å; G285-F763 PolarHBondContact N-O 2.88Å; L387-F763 HydrophobicContact CB-CD2 3.79Å; L387-F763 HydrophobicContact CB-CE2 3.67Å; L387-F763 HydrophobicContact CB-CG 4.34Å; L387-F763 HydrophobicContact CB-CZ 4.16Å; L387-F763 HydrophobicContact CD1-CE2 3.93Å; L387-F763 HydrophobicContact CD1-CZ 4.36Å; L387-F763 HydrophobicContact CD2-CD2 4Å; L387-F763 HydrophobicContact CD2-CE2 3.89Å; L387-F763 HydrophobicContact CG-CD2 4.38Å; L387-F763 HydrophobicContact CG-CE2 4.04Å; L387-F763 WeakPolarHBondContact O-CB 3.4Å; Y388-F763 HydrophobicContact CD1-CD1 4.01Å; Y388-F763 AromaticContact CD1-CE1 3.58Å; Y388-F763 HydrophobicContact CD1-CE1 3.58Å; Y388-F763 AromaticContact CD1-CZ 3.99Å; Y388-F763 HydrophobicContact CD1-CZ 3.99Å; Y388-F763 HydrophobicContact CE1-CE1 4.36Å; Y388-F763 HydrophobicContact CG-CD1 4.17Å; Y388-F763 HydrophobicContact CG-CE1 4.1Å; W761-F763 PolarHBondContact O-N 3.01Å; F763-V770 HydrophobicContact CZ-CG1 4.3Å; F763-I774 HydrophobicContact CB-CG2 4.38Å; F763-I774 HydrophobicContact CD2-CG2 3.97Å; F763-I774 WeakPolarHBondContact CD2-O 3.41Å; F763-I774 HydrophobicContact CE2-CG2 4.46Å; F763-I774 HydrophobicContact CG-CG2 4.1Å; F763-Y812 HydrophobicContact CZ-CE1 4.14Å; F763-Y812 HydrophobicContact CZ-CE2 4.06Å; F763-Y812 AromaticContact CZ-CZ 3.67Å
764	C	90.1	Very high	87.2	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.9	173.7	65.9	0	0	0	0	111.2	V283 R728 F750 T762	V283-C764 CarbonylContact O-C 3.53Å; V283-C764 WeakPolarHBondContact O-CA 3.46Å; R728-C764 PolarHBondContact NH1-SG 3.27Å; R728-C764 PolarHBondContact NH2-SG 3.38Å; R728-C764 VanDerWaalsContact NH2-SG 3.39Å; F750-C764 HydrophobicContact CB-CB 4.44Å; F750-C764 HydrophobicContact CD1-CB 4.46Å; F750-C764 HydrophobicContact CD2-CB 4.04Å; F750-C764 HydrophobicContact CE2-CB 4.47Å; F750-C764 HydrophobicContact CG-CB 4.08Å; T762-C764 PolarHBondContact O-N 3.26Å
765	G	92.3	Very high	87.6	Confident	3 Å²	3	21.2 Å²	21.2	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.9	177.6	179.6	0	0	0	0	0	111.7	V283 R728	V283-G765 VanDerWaalsContact CG2-O 3.31Å; V283-G765 WeakPolarHBondContact CG2-O 3.45Å; V283-G765 PolarHBondContact N-O 2.98Å; V283-G765 PolarHBondContact O-N 2.86Å; R728-G765 WeakPolarHBondContact O-CA 2.97Å
766	T	92.9	Very high	88.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.			trans	-87.4	129.2	176.7	-63.5	0	0	0	0	109.5	K280 G282 D729 K731 E768 Y769 V770	K280-T766 HydrophobicContact CB-CG2 3.47Å; K280-T766 VanDerWaalsContact CB-CG2 3.47Å; K280-T766 HydrophobicContact CD-CG2 4.07Å; K280-T766 HydrophobicContact CG-CG2 4.35Å; G282-T766 WeakPolarHBondContact CA-OG1 3.5Å; D729-T766 WeakPolarHBondContact OD1-CB 3.19Å; D729-T766 PolarHBondContact OD1-N 2.63Å; D729-T766 PolarHBondContact OD1-OG1 3.27Å; K731-T766 HydrophobicContact CD-CG2 4.22Å; K731-T766 WeakPolarHBondContact CD-OG1 3.35Å; K731-T766 PolarHBondContact NZ-OG1 3.46Å; T766-E768 VanDerWaalsContact C-N 3.29Å; T766-E768 WeakPolarHBondContact CG2-OE2 3.49Å; T766-E768 PolarHBondContact O-N 2.9Å; T766-Y769 HydrophobicContact CG2-CD2 4.2Å; T766-Y769 WeakPolarHBondContact O-CA 3.28Å; T766-Y769 WeakPolarHBondContact O-CB 3.48Å; T766-Y769 PolarHBondContact O-N 3.09Å; T766-V770 WeakPolarHBondContact O-CG2 3.49Å; T766-V770 PolarHBondContact O-N 2.96Å
767	P	92.8	Very high	89.2	Confident	11 Å²	11	16.4 Å²	16.4	7%	0.071	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-50.5	-39.2	-163.1	-32.1	36.8	0	0	0	116.5	Y769 P808 I811 Y812	P767-Y769 PolarHBondContact O-N 3.46Å; P767-P808 HydrophobicContact CB-CB 4.45Å; P767-P808 HydrophobicContact CG-CB 4.45Å; P767-P808 HydrophobicContact CG-CG 4.47Å; P767-I811 HydrophobicContact CB-CD1 4.17Å; P767-I811 HydrophobicContact CB-CG2 4.44Å; P767-Y812 HydrophobicContact CB-CE1 3.86Å
768	E	95.7	Very high	90.2	Very high	36 Å²	36	18.9 Å²	18.9	17%	0.168	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-70.9	-16.8	179.4	-56.8	90.2	154.6	0	0	113.6	T766 I791 P801 I811	T766-E768 VanDerWaalsContact C-N 3.29Å; T766-E768 WeakPolarHBondContact CG2-OE2 3.49Å; T766-E768 PolarHBondContact O-N 2.9Å; E768-I791 WeakPolarHBondContact O-CG2 3.48Å; E768-P801 HydrophobicContact CB-CB 3.91Å; E768-P801 HydrophobicContact CB-CG 3.8Å; E768-P801 HydrophobicContact CG-CB 4.48Å; E768-P801 HydrophobicContact CG-CG 3.84Å; E768-I811 HydrophobicContact CG-CD1 4.08Å; E768-I811 HydrophobicContact CG-CG2 4.36Å
769	Y	98	Very high	90.8	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.016	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-106.5	-11.3	-178.2	-75.5	-90.9	0	0	0	113.8	K280 L730 K731 P732 T766 P767 A771 S788 I791 L792 E795	K280-Y769 HydrophobicContact CD-CE2 4.39Å; L730-Y769 WeakPolarHBondContact O-CD1 3.34Å; L730-Y769 VanDerWaalsContact O-CE1 3.27Å; L730-Y769 WeakPolarHBondContact O-CE1 3.48Å; L730-Y769 VanDerWaalsContact O-CG 3.3Å; K731-Y769 HydrophobicContact CB-CD2 4.15Å; K731-Y769 HydrophobicContact CB-CE1 4.43Å; K731-Y769 HydrophobicContact CB-CE2 3.74Å; P732-Y769 WeakPolarHBondContact CD-OH 3.43Å; T766-Y769 HydrophobicContact CG2-CD2 4.2Å; T766-Y769 WeakPolarHBondContact O-CA 3.28Å; T766-Y769 WeakPolarHBondContact O-CB 3.48Å; T766-Y769 PolarHBondContact O-N 3.09Å; P767-Y769 PolarHBondContact O-N 3.46Å; Y769-A771 PolarHBondContact O-N 2.87Å; Y769-S788 PolarHBondContact O-OG 3.34Å; Y769-I791 HydrophobicContact CD1-CB 3.59Å; Y769-I791 HydrophobicContact CD1-CG1 4.35Å; Y769-I791 HydrophobicContact CD1-CG2 3.44Å; Y769-I791 VanDerWaalsContact CD1-CG2 3.44Å; Y769-I791 HydrophobicContact CD2-CG2 4.19Å; Y769-I791 HydrophobicContact CE1-CB 3.67Å; Y769-I791 HydrophobicContact CE1-CG2 3.38Å; Y769-I791 HydrophobicContact CE2-CG2 4.14Å; Y769-I791 HydrophobicContact CG-CB 4.36Å; Y769-I791 HydrophobicContact CG-CG2 3.86Å; Y769-L792 HydrophobicContact CE1-CB 4.16Å; Y769-E795 PolarHBondContact OH-OE2 3.08Å
770	V	96.8	Very high	91.1	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.018	5%	0.054	C	C	.	.			trans	-67.3	129.9	-178.1	179.6	0	0	0	0	110.5	F763 T766 I774 I775 W787 Y812	F763-V770 HydrophobicContact CZ-CG1 4.3Å; T766-V770 WeakPolarHBondContact O-CG2 3.49Å; T766-V770 PolarHBondContact O-N 2.96Å; V770-I774 HydrophobicContact CG1-CB 3.61Å; V770-I774 HydrophobicContact CG1-CD1 4.29Å; V770-I774 HydrophobicContact CG1-CG1 4.45Å; V770-I774 HydrophobicContact CG1-CG2 3.69Å; V770-I775 HydrophobicContact CB-CG1 4.41Å; V770-I775 HydrophobicContact CG1-CD1 4.43Å; V770-I775 HydrophobicContact CG1-CG1 3.64Å; V770-W787 PolarHBondContact O-NE1 3.39Å; V770-Y812 HydrophobicContact CB-CE1 4.49Å
771	A	97	Very high	91.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.			trans	-77.6	149.2	179.9	0	0	0	0	0	112.7	Y769 E773 I774 I775 A784 W787	Y769-A771 PolarHBondContact O-N 2.87Å; A771-E773 VanDerWaalsContact C-N 3.26Å; A771-E773 VanDerWaalsContact CB-CD 3.49Å; A771-E773 VanDerWaalsContact CB-OE1 3.3Å; A771-E773 WeakPolarHBondContact CB-OE1 3.39Å; A771-E773 WeakPolarHBondContact CB-OE2 3.43Å; A771-E773 PolarHBondContact O-N 3.15Å; A771-E773 VanDerWaalsContact O-N 3.15Å; A771-I774 HydrophobicContact CB-CD1 4.41Å; A771-I774 HydrophobicContact CB-CG1 4.38Å; A771-I774 WeakPolarHBondContact O-CB 3.38Å; A771-I774 PolarHBondContact O-N 3.1Å; A771-I775 PolarHBondContact O-N 2.85Å; A771-A784 HydrophobicContact CB-CB 4.04Å; A771-W787 HydrophobicContact CB-CB 3.75Å; A771-W787 HydrophobicContact CB-CD2 4.1Å; A771-W787 HydrophobicContact CB-CG 3.57Å
772	P	95.1	Very high	91.3	Very high	4 Å²	4	11.5 Å²	11.5	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-52.9	-39	-175.6	-28	34.7	0	0	0	114.1	I774 I775 L776 W787 V815 L816	P772-I774 VanDerWaalsContact C-N 3.27Å; P772-I774 PolarHBondContact O-N 3.14Å; P772-I775 PolarHBondContact O-N 3.07Å; P772-I775 VanDerWaalsContact O-N 3.15Å; P772-L776 WeakPolarHBondContact O-CB 3.49Å; P772-L776 WeakPolarHBondContact O-CG 3.45Å; P772-L776 PolarHBondContact O-N 3.36Å; P772-W787 VanDerWaalsContact CD-CZ3 3.48Å; P772-W787 HydrophobicContact CG-CE3 4.09Å; P772-W787 HydrophobicContact CG-CH2 3.48Å; P772-W787 VanDerWaalsContact CG-CH2 3.48Å; P772-W787 HydrophobicContact CG-CZ2 3.97Å; P772-W787 HydrophobicContact CG-CZ3 3.54Å; P772-V815 HydrophobicContact CG-CG1 3.87Å; P772-L816 HydrophobicContact CB-CD2 4.18Å
773	E	93.2	Very high	91.6	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.033	6%	0.059	C	C	.	.	H	α-helix	trans	-65.4	-26.8	178.9	67	-83.9	-166.2	0	0	113.7	A771 N777 K778 H780 P845 R848	A771-E773 VanDerWaalsContact C-N 3.26Å; A771-E773 VanDerWaalsContact CB-CD 3.49Å; A771-E773 VanDerWaalsContact CB-OE1 3.3Å; A771-E773 WeakPolarHBondContact CB-OE1 3.39Å; A771-E773 WeakPolarHBondContact CB-OE2 3.43Å; A771-E773 PolarHBondContact O-N 3.15Å; A771-E773 VanDerWaalsContact O-N 3.15Å; E773-N777 PolarHBondContact O-N 2.82Å; E773-K778 PolarHBondContact O-N 3.26Å; E773-H780 HydrophobicContact CG-CB 3.94Å; E773-P845 HydrophobicContact CB-CG 3.91Å; E773-P845 HydrophobicContact CG-CG 3.87Å; E773-R848 IonicContact OE1-CZ 2.62Å; E773-R848 IonicContact OE1-NH1 2.67Å; E773-R848 PolarHBondContact OE1-NH1 2.91Å; E773-R848 IonicContact OE1-NH2 2.74Å; E773-R848 IonicContact OE2-CZ 2.61Å; E773-R848 IonicContact OE2-NH1 3.94Å; E773-R848 PolarHBondContact OE2-NH1 3.44Å; E773-R848 IonicContact OE2-NH2 2.84Å; E773-R848 PolarHBondContact OE2-NH2 2.91Å
774	I	94.2	Very high	92	Very high	7 Å²	7	11.6 Å²	11.6	4%	0.036	6%	0.059	C	C	.	.	H	α-helix	trans	-74.7	-43.1	172.7	-54.8	-177.6	0	0	0	109.5	F763 V770 A771 P772 N777 H780 A784	F763-I774 HydrophobicContact CB-CG2 4.38Å; F763-I774 HydrophobicContact CD2-CG2 3.97Å; F763-I774 WeakPolarHBondContact CD2-O 3.41Å; F763-I774 HydrophobicContact CE2-CG2 4.46Å; F763-I774 HydrophobicContact CG-CG2 4.1Å; V770-I774 HydrophobicContact CG1-CB 3.61Å; V770-I774 HydrophobicContact CG1-CD1 4.29Å; V770-I774 HydrophobicContact CG1-CG1 4.45Å; V770-I774 HydrophobicContact CG1-CG2 3.69Å; A771-I774 HydrophobicContact CB-CD1 4.41Å; A771-I774 HydrophobicContact CB-CG1 4.38Å; A771-I774 WeakPolarHBondContact O-CB 3.38Å; A771-I774 PolarHBondContact O-N 3.1Å; P772-I774 VanDerWaalsContact C-N 3.27Å; P772-I774 PolarHBondContact O-N 3.14Å; I774-N777 PolarHBondContact O-N 2.91Å; I774-N777 VanDerWaalsContact O-N 3.1Å; I774-H780 HydrophobicContact CG1-CB 3.87Å; I774-A784 HydrophobicContact CD1-CB 3.88Å; I774-A784 HydrophobicContact CG1-CB 4.41Å
775	I	90.9	Very high	92.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.8	-44.3	179.7	-47.2	176.5	0	0	0	110.8	F318 L387 V770 A771 P772 N777 Y812 V815 L816	F318-I775 HydrophobicContact CD2-CG2 4.4Å; F318-I775 HydrophobicContact CE2-CG2 3.69Å; F318-I775 HydrophobicContact CZ-CG2 4.41Å; F318-I775 WeakPolarHBondContact CZ-O 3.29Å; L387-I775 HydrophobicContact CD1-CG2 4.35Å; L387-I775 WeakPolarHBondContact CD2-O 3.33Å; V770-I775 HydrophobicContact CB-CG1 4.41Å; V770-I775 HydrophobicContact CG1-CD1 4.43Å; V770-I775 HydrophobicContact CG1-CG1 3.64Å; A771-I775 PolarHBondContact O-N 2.85Å; P772-I775 PolarHBondContact O-N 3.07Å; P772-I775 VanDerWaalsContact O-N 3.15Å; I775-N777 PolarHBondContact O-N 3.46Å; I775-Y812 HydrophobicContact CD1-CD1 3.63Å; I775-Y812 HydrophobicContact CD1-CG 4.05Å; I775-Y812 HydrophobicContact CG1-CD1 4.12Å; I775-Y812 HydrophobicContact CG2-CD1 4.44Å; I775-Y812 HydrophobicContact CG2-CD2 4.42Å; I775-Y812 HydrophobicContact CG2-CG 3.99Å; I775-V815 HydrophobicContact CD1-CB 3.8Å; I775-V815 HydrophobicContact CD1-CG1 3.45Å; I775-V815 VanDerWaalsContact CD1-CG1 3.45Å; I775-V815 HydrophobicContact CD1-CG2 4.4Å; I775-L816 HydrophobicContact CB-CD2 4.43Å; I775-L816 HydrophobicContact CG2-CD1 4.39Å
776	L	87.2	Confident	92.7	Very high	21 Å²	21	11.6 Å²	11.6	11%	0.11	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.7	175.5	-60	178.4	0	0	0	113.3	F318 H321 P772 K778 L816	F318-L776 HydrophobicContact CE2-CD2 4.27Å; H321-L776 HydrophobicContact CB-CD2 3.64Å; P772-L776 WeakPolarHBondContact O-CB 3.49Å; P772-L776 WeakPolarHBondContact O-CG 3.45Å; P772-L776 PolarHBondContact O-N 3.36Å; L776-K778 HydrophobicContact CB-CD 4.16Å; L776-K778 HydrophobicContact CB-CG 3.9Å; L776-K778 HydrophobicContact CD1-CD 4.34Å; L776-K778 PolarHBondContact O-N 3.1Å; L776-K778 VanDerWaalsContact O-N 3.09Å; L776-L816 HydrophobicContact CD1-CD2 4.01Å; L776-L816 HydrophobicContact CD2-CD1 4.01Å; L776-L816 HydrophobicContact CD2-CD2 3.79Å; L776-L816 HydrophobicContact CG-CD2 3.7Å
777	N	85	Confident	92.9	Very high	7 Å²	7	11.6 Å²	11.6	4%	0.037	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	32.9	-179.2	-161.9	18.4	0	0	0	114.2	M416 W761 E773 I774 I775 G779	M416-N777 HydrophobicContact CB-CB 4.14Å; M416-N777 HydrophobicContact CG-CB 4.03Å; W761-N777 PolarHBondContact O-OD1 2.94Å; E773-N777 PolarHBondContact O-N 2.82Å; I774-N777 PolarHBondContact O-N 2.91Å; I774-N777 VanDerWaalsContact O-N 3.1Å; I775-N777 PolarHBondContact O-N 3.46Å; N777-G779 PolarHBondContact O-N 2.86Å
778	K	83.8	Confident	93.2	Very high	79 Å²	79	11.5 Å²	11.5	34%	0.343	6%	0.058	S	C	.	.	S	Bend	trans	-77.3	4.7	-179.3	-68.4	-174.2	176.2	-174.9	0	113.4	C420 E773 L776	C420-K778 PolarHBondContact SG-O 3.24Å; E773-K778 PolarHBondContact O-N 3.26Å; L776-K778 HydrophobicContact CB-CD 4.16Å; L776-K778 HydrophobicContact CB-CG 3.9Å; L776-K778 HydrophobicContact CD1-CD 4.34Å; L776-K778 PolarHBondContact O-N 3.1Å; L776-K778 VanDerWaalsContact O-N 3.09Å
779	G	86.1	Confident	93.4	Very high	4 Å²	4	9.8 Å²	9.8	4%	0.041	5%	0.05	C	C	.	.			trans	76.4	137	-170.7	0	0	0	0	0	111.9	T760 N777	T760-G779 WeakPolarHBondContact O-CA 3.46Å; N777-G779 PolarHBondContact O-N 2.86Å
780	H	91.3	Very high	93.4	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-126	154.2	-177.8	57.3	-75.2	0	0	0	113.3	R728 K759 T760 T762 E773 I774 A784	R728-H780 WeakPolarHBondContact CD-NE2 3.29Å; R728-H780 PolarHBondContact NH1-NE2 3.36Å; K759-H780 CarbonylContact C-O 3.58Å; K759-H780 VanDerWaalsContact CA-O 3.3Å; K759-H780 WeakPolarHBondContact CA-O 3.34Å; T760-H780 WeakPolarHBondContact CG2-O 3.49Å; T760-H780 PolarHBondContact N-O 2.92Å; T760-H780 PolarHBondContact O-N 2.81Å; T760-H780 PolarHBondContact O-ND1 2.77Å; T762-H780 PolarHBondContact O-CE1 2.95Å; T762-H780 PolarHBondContact O-NE2 2.86Å; E773-H780 HydrophobicContact CG-CB 3.94Å; I774-H780 HydrophobicContact CG1-CB 3.87Å; H780-A784 HydrophobicContact CB-CB 4.26Å
781	D	89.4	Confident	93.5	Very high	16 Å²	16	9.4 Å²	9.4	9%	0.086	5%	0.048	C	C	.	.			trans	-128.3	-151.6	172.7	58.6	33.3	0	0	0	109.8	K759 S783 A784 Y851	K759-D781 HydrophobicContact CG-CB 4.43Å; D781-S783 PolarHBondContact O-N 3.31Å; D781-S783 VanDerWaalsContact OD1-CB 3.23Å; D781-S783 WeakPolarHBondContact OD1-CB 3.34Å; D781-S783 PolarHBondContact OD1-N 3.19Å; D781-S783 PolarHBondContact OD1-OG 3.47Å; D781-A784 PolarHBondContact O-N 2.88Å; D781-Y851 WeakPolarHBondContact OD2-CE2 3.17Å
782	N	90.9	Very high	93.6	Very high	35 Å²	35	9.4 Å²	9.4	19%	0.187	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.5	-179.5	59.9	-33	0	0	0	114.4	L726 A784 D785 Y786	L726-N782 HydrophobicContact CD2-CB 3.69Å; L726-N782 VanDerWaalsContact CD2-N 3.32Å; N782-A784 PolarHBondContact O-N 3.07Å; N782-D785 PolarHBondContact O-N 3.12Å; N782-Y786 PolarHBondContact ND2-OH 2.93Å; N782-Y786 VanDerWaalsContact ND2-OH 3.14Å; N782-Y786 WeakPolarHBondContact O-CD2 3.45Å; N782-Y786 WeakPolarHBondContact O-CE2 3.15Å; N782-Y786 PolarHBondContact O-N 3.32Å
783	S	93	Very high	93.8	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-52.4	-37.1	164.9	50.5	0	0	0	0	113.5	D781 D785 Y786 W787 R848	D781-S783 PolarHBondContact O-N 3.31Å; D781-S783 VanDerWaalsContact OD1-CB 3.23Å; D781-S783 WeakPolarHBondContact OD1-CB 3.34Å; D781-S783 PolarHBondContact OD1-N 3.19Å; D781-S783 PolarHBondContact OD1-OG 3.47Å; S783-D785 VanDerWaalsContact C-N 3.34Å; S783-D785 PolarHBondContact O-N 3.24Å; S783-Y786 PolarHBondContact O-N 3.4Å; S783-W787 PolarHBondContact O-N 3.09Å; S783-W787 VanDerWaalsContact O-N 3.09Å; S783-R848 VanDerWaalsContact C-NH1 3.27Å; S783-R848 VanDerWaalsContact O-CD 3.32Å; S783-R848 WeakPolarHBondContact O-CD 3.28Å; S783-R848 PolarHBondContact O-NH1 3.12Å
784	A	96.9	Very high	94	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-69.5	-32.2	-177	0	0	0	0	0	112.8	A771 I774 H780 D781 N782 Y786 W787 S788	A771-A784 HydrophobicContact CB-CB 4.04Å; I774-A784 HydrophobicContact CD1-CB 3.88Å; I774-A784 HydrophobicContact CG1-CB 4.41Å; H780-A784 HydrophobicContact CB-CB 4.26Å; D781-A784 PolarHBondContact O-N 2.88Å; N782-A784 PolarHBondContact O-N 3.07Å; A784-Y786 VanDerWaalsContact C-N 3.34Å; A784-W787 PolarHBondContact O-N 2.87Å; A784-S788 PolarHBondContact O-N 3.42Å; A784-S788 PolarHBondContact O-OG 3.03Å
785	D	98	Very high	94.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.9	-34.6	174.4	-74	-44	0	0	0	110.7	F717 H721 L726 Y727 R728 N782 S783 S788 L789	F717-D785 HydrophobicContact CD2-CB 4.37Å; F717-D785 HydrophobicContact CE1-CB 4.48Å; F717-D785 HydrophobicContact CE2-CB 3.82Å; F717-D785 WeakPolarHBondContact CE2-O 3.37Å; F717-D785 HydrophobicContact CZ-CB 3.85Å; H721-D785 IonicContact NE2-OD2 2.68Å; H721-D785 PolarHBondContact NE2-OD2 3.23Å; L726-D785 WeakPolarHBondContact CA-OD2 3.42Å; Y727-D785 PolarHBondContact N-OD2 3.48Å; R728-D785 PolarHBondContact N-OD1 2.66Å; N782-D785 PolarHBondContact O-N 3.12Å; S783-D785 VanDerWaalsContact C-N 3.34Å; S783-D785 PolarHBondContact O-N 3.24Å; D785-S788 PolarHBondContact O-N 3.15Å; D785-L789 PolarHBondContact O-N 3.36Å
786	Y	98.1	Very high	94.6	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-69.3	-35.2	172.6	-50.9	-41	0	0	0	113.3	H721 N782 S783 A784 L789 G790 G850 I856 I859	H721-Y786 AromaticContact CE1-CE1 3.4Å; H721-Y786 WeakPolarHBondContact CE1-CE1 3.08Å; H721-Y786 AromaticContact CE1-CZ 3.73Å; H721-Y786 AromaticContact ND1-CE1 3.45Å; H721-Y786 WeakPolarHBondContact ND1-CE1 3.03Å; H721-Y786 AromaticContact ND1-CZ 3.44Å; H721-Y786 PolarHBondContact ND1-OH 2.77Å; N782-Y786 PolarHBondContact ND2-OH 2.93Å; N782-Y786 VanDerWaalsContact ND2-OH 3.14Å; N782-Y786 WeakPolarHBondContact O-CD2 3.45Å; N782-Y786 WeakPolarHBondContact O-CE2 3.15Å; N782-Y786 PolarHBondContact O-N 3.32Å; S783-Y786 PolarHBondContact O-N 3.4Å; A784-Y786 VanDerWaalsContact C-N 3.34Å; Y786-L789 WeakPolarHBondContact O-CB 3.25Å; Y786-L789 PolarHBondContact O-N 2.95Å; Y786-G790 PolarHBondContact O-N 3.44Å; Y786-G850 WeakPolarHBondContact CE2-O 3.1Å; Y786-I856 HydrophobicContact CE1-CB 4.35Å; Y786-I856 HydrophobicContact CE1-CD1 4.19Å; Y786-I856 HydrophobicContact CE1-CG1 4.24Å; Y786-I859 HydrophobicContact CD1-CD1 3.53Å; Y786-I859 HydrophobicContact CE1-CD1 3.9Å; Y786-I859 HydrophobicContact CG-CD1 3.95Å
787	W	98.6	Very high	95.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.8	-51.5	170.1	171.9	-82.1	0	0	0	110.6	V770 A771 P772 S783 A784 L789 G790 I791 F803 V815 L840 C841	V770-W787 PolarHBondContact O-NE1 3.39Å; A771-W787 HydrophobicContact CB-CB 3.75Å; A771-W787 HydrophobicContact CB-CD2 4.1Å; A771-W787 HydrophobicContact CB-CG 3.57Å; P772-W787 VanDerWaalsContact CD-CZ3 3.48Å; P772-W787 HydrophobicContact CG-CE3 4.09Å; P772-W787 HydrophobicContact CG-CH2 3.48Å; P772-W787 VanDerWaalsContact CG-CH2 3.48Å; P772-W787 HydrophobicContact CG-CZ2 3.97Å; P772-W787 HydrophobicContact CG-CZ3 3.54Å; S783-W787 PolarHBondContact O-N 3.09Å; S783-W787 VanDerWaalsContact O-N 3.09Å; A784-W787 PolarHBondContact O-N 2.87Å; W787-L789 PolarHBondContact O-N 2.95Å; W787-L789 VanDerWaalsContact O-N 3.17Å; W787-G790 WeakPolarHBondContact O-CA 3.49Å; W787-G790 PolarHBondContact O-N 2.75Å; W787-I791 HydrophobicContact CZ2-CD1 4.32Å; W787-I791 WeakPolarHBondContact O-CG1 3.4Å; W787-I791 PolarHBondContact O-N 3.17Å; W787-I791 VanDerWaalsContact O-N 3.09Å; W787-F803 AromaticContact CH2-CE2 3.93Å; W787-F803 HydrophobicContact CH2-CE2 3.93Å; W787-F803 HydrophobicContact CH2-CZ 4.11Å; W787-F803 HydrophobicContact CZ2-CD2 4.16Å; W787-F803 AromaticContact CZ2-CE2 3.39Å; W787-F803 HydrophobicContact CZ2-CE2 3.39Å; W787-F803 HydrophobicContact CZ2-CZ 4.02Å; W787-V815 HydrophobicContact CH2-CG1 4.26Å; W787-V815 HydrophobicContact CZ2-CG1 3.73Å; W787-L840 WeakPolarHBondContact CA-O 3.13Å; W787-C841 HydrophobicContact CE3-CB 4.06Å; W787-C841 HydrophobicContact CH2-CB 4.29Å; W787-C841 VanDerWaalsContact CZ3-C 3.48Å; W787-C841 HydrophobicContact CZ3-CB 3.95Å; W787-C841 WeakPolarHBondContact CZ3-O 3.44Å
788	S	98.7	Very high	95.7	Very high	9 Å²	9	10.5 Å²	10.5	6%	0.063	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-31.1	178.6	-51.9	0	0	0	0	112.2	Y769 A784 D785 I791 L792	Y769-S788 PolarHBondContact O-OG 3.34Å; A784-S788 PolarHBondContact O-N 3.42Å; A784-S788 PolarHBondContact O-OG 3.03Å; D785-S788 PolarHBondContact O-N 3.15Å; S788-I791 PolarHBondContact O-N 3.15Å; S788-L792 WeakPolarHBondContact O-CB 3.48Å; S788-L792 PolarHBondContact O-N 2.75Å
789	L	98.8	Very high	96.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.3	-40.5	172.5	-164.5	72.6	0	0	0	112.3	I710 V713 L714 F717 L730 D785 Y786 W787 L792 I793 L840 I859	I710-L789 HydrophobicContact CD1-CD1 4.15Å; I710-L789 HydrophobicContact CG2-CD1 4.03Å; I710-L789 HydrophobicContact CG2-CD2 4.33Å; I710-L789 HydrophobicContact CG2-CG 4.24Å; V713-L789 HydrophobicContact CB-CD1 4.13Å; V713-L789 HydrophobicContact CG1-CD1 3.55Å; L714-L789 HydrophobicContact CD1-CD2 4.43Å; L714-L789 HydrophobicContact CD2-CD2 3.6Å; L714-L789 HydrophobicContact CG-CD2 3.98Å; F717-L789 HydrophobicContact CE2-CB 4.44Å; F717-L789 HydrophobicContact CE2-CD1 4.26Å; L730-L789 HydrophobicContact CD2-CB 4.25Å; L730-L789 HydrophobicContact CD2-CD1 3.85Å; D785-L789 PolarHBondContact O-N 3.36Å; Y786-L789 WeakPolarHBondContact O-CB 3.25Å; Y786-L789 PolarHBondContact O-N 2.95Å; W787-L789 PolarHBondContact O-N 2.95Å; W787-L789 VanDerWaalsContact O-N 3.17Å; L789-L792 PolarHBondContact O-N 3.05Å; L789-I793 HydrophobicContact CG-CD1 4.48Å; L789-I793 WeakPolarHBondContact O-CD1 3.48Å; L789-I793 VanDerWaalsContact O-CG1 3.28Å; L789-I793 WeakPolarHBondContact O-CG1 3.5Å; L789-I793 PolarHBondContact O-N 3.4Å; L789-L840 HydrophobicContact CB-CD1 4.43Å; L789-L840 HydrophobicContact CD2-CD1 4.18Å; L789-L840 HydrophobicContact CD2-CD2 4.47Å; L789-L840 HydrophobicContact CG-CD1 4.36Å; L789-I859 HydrophobicContact CD2-CG2 4.28Å
790	G	98.7	Very high	96.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.6	-43.1	173.8	0	0	0	0	0	112.6	Y786 W787 L792 I793 Y794	Y786-G790 PolarHBondContact O-N 3.44Å; W787-G790 WeakPolarHBondContact O-CA 3.49Å; W787-G790 PolarHBondContact O-N 2.75Å; G790-L792 VanDerWaalsContact C-N 3.34Å; G790-I793 PolarHBondContact O-N 2.87Å; G790-Y794 PolarHBondContact O-N 3.26Å
791	I	98.7	Very high	97	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-45	172.5	-52.2	-51	0	0	0	110.6	E768 Y769 W787 S788 Y794 E795 P801 P802 F803	E768-I791 WeakPolarHBondContact O-CG2 3.48Å; Y769-I791 HydrophobicContact CD1-CB 3.59Å; Y769-I791 HydrophobicContact CD1-CG1 4.35Å; Y769-I791 HydrophobicContact CD1-CG2 3.44Å; Y769-I791 VanDerWaalsContact CD1-CG2 3.44Å; Y769-I791 HydrophobicContact CD2-CG2 4.19Å; Y769-I791 HydrophobicContact CE1-CB 3.67Å; Y769-I791 HydrophobicContact CE1-CG2 3.38Å; Y769-I791 HydrophobicContact CE2-CG2 4.14Å; Y769-I791 HydrophobicContact CG-CB 4.36Å; Y769-I791 HydrophobicContact CG-CG2 3.86Å; W787-I791 HydrophobicContact CZ2-CD1 4.32Å; W787-I791 WeakPolarHBondContact O-CG1 3.4Å; W787-I791 PolarHBondContact O-N 3.17Å; W787-I791 VanDerWaalsContact O-N 3.09Å; S788-I791 PolarHBondContact O-N 3.15Å; I791-Y794 PolarHBondContact O-N 3.41Å; I791-E795 WeakPolarHBondContact O-CB 3.38Å; I791-E795 PolarHBondContact O-N 3.23Å; I791-P801 HydrophobicContact CG2-CB 4.08Å; I791-P802 HydrophobicContact CD1-CG 3.72Å; I791-F803 HydrophobicContact CD1-CD2 3.73Å; I791-F803 HydrophobicContact CD1-CE2 3.59Å
792	L	98.8	Very high	97.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.7	-46.5	178.5	-177.3	65.3	0	0	0	111.9	I710 V713 L730 P732 L735 Y769 S788 L789 G790 Y794 E795 L796	I710-L792 HydrophobicContact CD1-CB 4.25Å; I710-L792 HydrophobicContact CD1-CD2 3.57Å; I710-L792 HydrophobicContact CD1-CG 3.75Å; V713-L792 HydrophobicContact CG2-CD2 4.26Å; L730-L792 HydrophobicContact CD1-CD2 4.06Å; L730-L792 HydrophobicContact CD2-CB 4.18Å; L730-L792 HydrophobicContact CD2-CD2 3.81Å; L730-L792 HydrophobicContact CG-CD2 3.98Å; P732-L792 HydrophobicContact CG-CD1 3.8Å; L735-L792 HydrophobicContact CD1-CD1 4.22Å; L735-L792 HydrophobicContact CD1-CD2 3.79Å; Y769-L792 HydrophobicContact CE1-CB 4.16Å; S788-L792 WeakPolarHBondContact O-CB 3.48Å; S788-L792 PolarHBondContact O-N 2.75Å; L789-L792 PolarHBondContact O-N 3.05Å; G790-L792 VanDerWaalsContact C-N 3.34Å; L792-Y794 VanDerWaalsContact C-N 3.32Å; L792-Y794 PolarHBondContact O-N 2.89Å; L792-E795 PolarHBondContact O-N 3.35Å; L792-L796 HydrophobicContact CD1-CD1 4.22Å; L792-L796 HydrophobicContact CD1-CD2 4.22Å; L792-L796 HydrophobicContact CD1-CG 4.03Å; L792-L796 HydrophobicContact CG-CD1 4Å; L792-L796 HydrophobicContact CG-CG 4.2Å; L792-L796 VanDerWaalsContact O-CG 3.26Å; L792-L796 WeakPolarHBondContact O-CG 3.34Å; L792-L796 PolarHBondContact O-N 2.99Å
793	I	98.8	Very high	97.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-45.8	178.5	-62.3	154.8	0	0	0	110.6	T706 I710 L789 G790 L796 L797 L836 I837 L840	T706-I793 HydrophobicContact CG2-CG2 4.17Å; I710-I793 HydrophobicContact CD1-CG1 3.59Å; I710-I793 HydrophobicContact CG1-CG1 3.73Å; I710-I793 HydrophobicContact CG2-CD1 4.3Å; I710-I793 HydrophobicContact CG2-CG1 4.14Å; L789-I793 HydrophobicContact CG-CD1 4.48Å; L789-I793 WeakPolarHBondContact O-CD1 3.48Å; L789-I793 VanDerWaalsContact O-CG1 3.28Å; L789-I793 WeakPolarHBondContact O-CG1 3.5Å; L789-I793 PolarHBondContact O-N 3.4Å; G790-I793 PolarHBondContact O-N 2.87Å; I793-L796 PolarHBondContact O-N 3.31Å; I793-L797 HydrophobicContact CG2-CD1 3.94Å; I793-L797 WeakPolarHBondContact O-CG 3.5Å; I793-L797 PolarHBondContact O-N 3.15Å; I793-L797 VanDerWaalsContact O-N 3.15Å; I793-L836 HydrophobicContact CD1-CD2 3.74Å; I793-L836 HydrophobicContact CD1-CG 4.01Å; I793-I837 HydrophobicContact CB-CD1 4.41Å; I793-I837 HydrophobicContact CB-CG1 3.95Å; I793-I837 HydrophobicContact CG2-CD1 3.88Å; I793-I837 HydrophobicContact CG2-CG1 3.74Å; I793-L840 HydrophobicContact CD1-CD1 3.42Å; I793-L840 VanDerWaalsContact CD1-CD1 3.42Å
794	Y	98.7	Very high	97.6	Very high	30 Å²	30	12.1 Å²	12.1	12%	0.118	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-45.2	177.8	-173.3	-74.9	0	0	0	111.5	G790 I791 L792 L797 T798 S800 P802 V822 E823 F824 I829 I837	G790-Y794 PolarHBondContact O-N 3.26Å; I791-Y794 PolarHBondContact O-N 3.41Å; L792-Y794 VanDerWaalsContact C-N 3.32Å; L792-Y794 PolarHBondContact O-N 2.89Å; Y794-L797 PolarHBondContact O-N 3.15Å; Y794-T798 HydrophobicContact CD1-CG2 4.19Å; Y794-T798 WeakPolarHBondContact CD1-OG1 3.45Å; Y794-T798 HydrophobicContact CE1-CG2 3.88Å; Y794-T798 WeakPolarHBondContact CE1-OG1 3.43Å; Y794-T798 WeakPolarHBondContact O-CB 3.35Å; Y794-T798 WeakPolarHBondContact O-CG2 3.28Å; Y794-T798 PolarHBondContact O-N 3.33Å; Y794-T798 PolarHBondContact O-OG1 2.94Å; Y794-S800 WeakPolarHBondContact CD1-O 3.26Å; Y794-P802 HydrophobicContact CD1-CB 3.71Å; Y794-P802 VanDerWaalsContact CD1-CD 3.49Å; Y794-P802 HydrophobicContact CD1-CG 4.06Å; Y794-P802 HydrophobicContact CD2-CB 3.9Å; Y794-P802 HydrophobicContact CD2-CG 4.46Å; Y794-P802 HydrophobicContact CE1-CB 3.8Å; Y794-P802 HydrophobicContact CE2-CB 3.96Å; Y794-P802 HydrophobicContact CG-CB 3.78Å; Y794-P802 HydrophobicContact CG-CG 3.99Å; Y794-V822 HydrophobicContact CE2-CG1 3.93Å; Y794-E823 PolarHBondContact OH-O 2.8Å; Y794-F824 HydrophobicContact CD2-CD1 4.34Å; Y794-F824 AromaticContact CD2-CE1 3.84Å; Y794-F824 HydrophobicContact CD2-CE1 3.84Å; Y794-F824 HydrophobicContact CD2-CZ 4.2Å; Y794-F824 HydrophobicContact CE2-CD1 4.23Å; Y794-F824 HydrophobicContact CE2-CE1 4.08Å; Y794-F824 HydrophobicContact CE2-CZ 4.32Å; Y794-I829 HydrophobicContact CD2-CD1 3.66Å; Y794-I829 HydrophobicContact CE2-CD1 3.58Å; Y794-I829 HydrophobicContact CG-CD1 4.4Å; Y794-I837 HydrophobicContact CD2-CD1 4.35Å
795	E	98.3	Very high	97.2	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.028	9%	0.092	C	C	.	.	H	α-helix	trans	-67.8	-35.9	179.8	178.7	159.7	169.8	0	0	113.2	K280 L695 Y769 I791 L792 G799 S800 P801	K280-E795 IonicContact NZ-OE1 3.78Å; K280-E795 PolarHBondContact NZ-OE1 3.2Å; K280-E795 IonicContact NZ-OE2 2.67Å; K280-E795 PolarHBondContact NZ-OE2 3.48Å; L695-E795 HydrophobicContact CD2-CG 3.97Å; Y769-E795 PolarHBondContact OH-OE2 3.08Å; I791-E795 WeakPolarHBondContact O-CB 3.38Å; I791-E795 PolarHBondContact O-N 3.23Å; L792-E795 PolarHBondContact O-N 3.35Å; E795-G799 WeakPolarHBondContact O-CA 3.3Å; E795-G799 PolarHBondContact O-N 3.48Å; E795-S800 WeakPolarHBondContact CA-O 3.37Å; E795-P801 WeakPolarHBondContact OE2-CB 3.44Å; E795-P801 WeakPolarHBondContact OE2-CD 3.39Å
796	L	98.4	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-42	174.5	-65.9	179.2	0	0	0	111.2	L691 L695 F701 T706 V709 I710 L792 I793	L691-L796 HydrophobicContact CD2-CD2 4.18Å; L695-L796 HydrophobicContact CD1-CD2 4.26Å; L695-L796 HydrophobicContact CD2-CD2 4.13Å; F701-L796 HydrophobicContact CD2-CB 4.16Å; F701-L796 HydrophobicContact CD2-CD2 3.75Å; F701-L796 HydrophobicContact CD2-CG 4.33Å; F701-L796 HydrophobicContact CE2-CD2 3.66Å; F701-L796 PolarHBondContact N-O 2.97Å; T706-L796 HydrophobicContact CG2-CB 3.97Å; T706-L796 HydrophobicContact CG2-CD1 4.1Å; V709-L796 HydrophobicContact CB-CD1 4.07Å; V709-L796 HydrophobicContact CG1-CD1 3.67Å; I710-L796 HydrophobicContact CD1-CD1 3.94Å; I710-L796 HydrophobicContact CG1-CD1 4.2Å; L792-L796 HydrophobicContact CD1-CD1 4.22Å; L792-L796 HydrophobicContact CD1-CD2 4.22Å; L792-L796 HydrophobicContact CD1-CG 4.03Å; L792-L796 HydrophobicContact CG-CD1 4Å; L792-L796 HydrophobicContact CG-CG 4.2Å; L792-L796 VanDerWaalsContact O-CG 3.26Å; L792-L796 WeakPolarHBondContact O-CG 3.34Å; L792-L796 PolarHBondContact O-N 2.99Å; I793-L796 PolarHBondContact O-N 3.31Å
797	L	98.3	Very high	95.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-77.2	-19.2	-178.2	-67.2	171.8	0	0	0	114.7	R700 T706 I793 Y794 I829 A833	R700-L797 WeakPolarHBondContact CD-O 3.29Å; T706-L797 HydrophobicContact CG2-CD2 4.24Å; T706-L797 HydrophobicContact CG2-CG 4.11Å; T706-L797 WeakPolarHBondContact OG1-CD2 3.26Å; I793-L797 HydrophobicContact CG2-CD1 3.94Å; I793-L797 WeakPolarHBondContact O-CG 3.5Å; I793-L797 PolarHBondContact O-N 3.15Å; I793-L797 VanDerWaalsContact O-N 3.15Å; Y794-L797 PolarHBondContact O-N 3.15Å; L797-I829 HydrophobicContact CB-CG1 4.22Å; L797-I829 HydrophobicContact CD1-CG2 4.04Å; L797-A833 HydrophobicContact CD1-CB 3.68Å
798	T	97.2	Very high	95.2	Very high	32 Å²	32	23.4 Å²	23.4	20%	0.196	15%	0.15	C	C	.	.	H	α-helix	trans	-121.4	-18.3	-176.2	64.1	0	0	0	0	114.3	Y794 S800 I829	Y794-T798 HydrophobicContact CD1-CG2 4.19Å; Y794-T798 WeakPolarHBondContact CD1-OG1 3.45Å; Y794-T798 HydrophobicContact CE1-CG2 3.88Å; Y794-T798 WeakPolarHBondContact CE1-OG1 3.43Å; Y794-T798 WeakPolarHBondContact O-CB 3.35Å; Y794-T798 WeakPolarHBondContact O-CG2 3.28Å; Y794-T798 PolarHBondContact O-N 3.33Å; Y794-T798 PolarHBondContact O-OG1 2.94Å; T798-S800 VanDerWaalsContact C-N 3.33Å; T798-S800 PolarHBondContact OG1-N 3.11Å; T798-S800 PolarHBondContact OG1-O 2.67Å; T798-I829 HydrophobicContact CG2-CD1 3.76Å; T798-I829 HydrophobicContact CG2-CG1 3.97Å
799	G	96.3	Very high	94.4	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	83.6	-1.6	-173.9	0	0	0	0	0	115.7	R277 G699 E795	R277-G799 PolarHBondContact NE-O 3.27Å; R277-G799 PolarHBondContact NH1-O 3.43Å; R277-G799 PolarHBondContact NH2-O 3Å; G699-G799 WeakPolarHBondContact O-CA 3.14Å; E795-G799 WeakPolarHBondContact O-CA 3.3Å; E795-G799 PolarHBondContact O-N 3.48Å
800	S	95.9	Very high	93.9	Very high	57 Å²	57	29 Å²	29	40%	0.399	17%	0.174	S	C	.	.	S	Bend	trans	-142.9	148.7	-179.3	-66.7	0	0	0	0	110.7	Y794 E795 T798	Y794-S800 WeakPolarHBondContact CD1-O 3.26Å; E795-S800 WeakPolarHBondContact CA-O 3.37Å; T798-S800 VanDerWaalsContact C-N 3.33Å; T798-S800 PolarHBondContact OG1-N 3.11Å; T798-S800 PolarHBondContact OG1-O 2.67Å
801	P	97.3	Very high	93.6	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.084	18%	0.176	C	C	.	.			trans	-68.7	155.1	175.9	27.9	-31.3	0	0	0	111.5	E768 I791 E795 F803 T804	E768-P801 HydrophobicContact CB-CB 3.91Å; E768-P801 HydrophobicContact CB-CG 3.8Å; E768-P801 HydrophobicContact CG-CB 4.48Å; E768-P801 HydrophobicContact CG-CG 3.84Å; I791-P801 HydrophobicContact CG2-CB 4.08Å; E795-P801 WeakPolarHBondContact OE2-CB 3.44Å; E795-P801 WeakPolarHBondContact OE2-CD 3.39Å; P801-F803 VanDerWaalsContact C-N 3.29Å; P801-F803 PolarHBondContact O-N 2.67Å; P801-T804 HydrophobicContact CG-CG2 4.1Å; P801-T804 WeakPolarHBondContact O-CG2 3.46Å
802	P	97.4	Very high	93.2	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.084	18%	0.176	C	C	.	.	S	Bend	trans	-68.2	-27.5	-178.3	26.6	-32.8	0	0	0	113.2	I791 Y794 I819 V822	I791-P802 HydrophobicContact CD1-CG 3.72Å; Y794-P802 HydrophobicContact CD1-CB 3.71Å; Y794-P802 VanDerWaalsContact CD1-CD 3.49Å; Y794-P802 HydrophobicContact CD1-CG 4.06Å; Y794-P802 HydrophobicContact CD2-CB 3.9Å; Y794-P802 HydrophobicContact CD2-CG 4.46Å; Y794-P802 HydrophobicContact CE1-CB 3.8Å; Y794-P802 HydrophobicContact CE2-CB 3.96Å; Y794-P802 HydrophobicContact CG-CB 3.78Å; Y794-P802 HydrophobicContact CG-CG 3.99Å; P802-I819 HydrophobicContact CB-CD1 4.07Å; P802-I819 HydrophobicContact CG-CD1 4.27Å; P802-V822 HydrophobicContact CB-CG1 3.85Å; P802-V822 HydrophobicContact CB-CG2 4.26Å
803	F	96.3	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-109.6	113.8	180	-52.2	-61.3	0	0	0	109.4	W787 I791 P801 V814 V815 I819 V822	W787-F803 AromaticContact CH2-CE2 3.93Å; W787-F803 HydrophobicContact CH2-CE2 3.93Å; W787-F803 HydrophobicContact CH2-CZ 4.11Å; W787-F803 HydrophobicContact CZ2-CD2 4.16Å; W787-F803 AromaticContact CZ2-CE2 3.39Å; W787-F803 HydrophobicContact CZ2-CE2 3.39Å; W787-F803 HydrophobicContact CZ2-CZ 4.02Å; I791-F803 HydrophobicContact CD1-CD2 3.73Å; I791-F803 HydrophobicContact CD1-CE2 3.59Å; P801-F803 VanDerWaalsContact C-N 3.29Å; P801-F803 PolarHBondContact O-N 2.67Å; F803-V814 HydrophobicContact CD1-CG1 3.85Å; F803-V815 HydrophobicContact CB-CG2 3.76Å; F803-V815 HydrophobicContact CD1-CG2 4.46Å; F803-V815 HydrophobicContact CD2-CG2 3.73Å; F803-V815 HydrophobicContact CE2-CG2 4.45Å; F803-V815 HydrophobicContact CG-CG2 3.73Å; F803-I819 HydrophobicContact CE1-CD1 4.46Å; F803-I819 HydrophobicContact CE2-CD1 4.26Å; F803-I819 HydrophobicContact CZ-CB 4.17Å; F803-I819 HydrophobicContact CZ-CD1 3.78Å; F803-V822 HydrophobicContact CD1-CG2 3.86Å; F803-V822 HydrophobicContact CE1-CG2 3.44Å; F803-V822 VanDerWaalsContact CE1-CG2 3.44Å; F803-V822 HydrophobicContact CZ-CG2 4.23Å
804	T	92.1	Very high	92.4	Very high	86 Å²	86	33.2 Å²	33.2	53%	0.528	20%	0.198	S	C	.	.			trans	-130.5	159.9	-179.5	60.3	0	0	0	0	111.4	P801	P801-T804 HydrophobicContact CG-CG2 4.1Å; P801-T804 WeakPolarHBondContact O-CG2 3.46Å
805	G	88.8	Confident	92.2	Very high	38 Å²	38	31.8 Å²	31.8	39%	0.392	19%	0.192	S	C	.	.			trans	-171	167.2	-179.9	0	0	0	0	0	111.3	D807	G805-D807 PolarHBondContact O-N 3.39Å
806	T	85.2	Confident	92	Very high	115 Å²	115	32.1 Å²	32.1	71%	0.706	19%	0.194	S	C	*	.	S	Bend	trans	-75.3	-12.9	178.6	54.8	0	0	0	0	113.8	K810	T806-K810 VanDerWaalsContact OG1-CD 3.32Å; T806-K810 WeakPolarHBondContact OG1-CD 3.33Å; T806-K810 WeakPolarHBondContact OG1-CE 3.4Å; T806-K810 PolarHBondContact OG1-NZ 2.99Å
807	D	82.4	Confident	91.6	Very high	52 Å²	52	40.3 Å²	40.3	28%	0.278	23%	0.225	S	C	.	.	S	Bend	trans	-160.2	159.9	-173.5	56.8	85	0	0	0	108.9	G805 M809 K810 I811	G805-D807 PolarHBondContact O-N 3.39Å; D807-M809 VanDerWaalsContact C-N 3.25Å; D807-M809 PolarHBondContact O-N 2.89Å; D807-M809 WeakPolarHBondContact OD1-CB 3.28Å; D807-M809 PolarHBondContact OD1-N 3.4Å; D807-M809 VanDerWaalsContact OD1-N 3.14Å; D807-K810 PolarHBondContact O-N 3.05Å; D807-K810 PolarHBondContact OD1-N 3.26Å; D807-K810 VanDerWaalsContact OD2-CD 3.29Å; D807-K810 WeakPolarHBondContact OD2-CD 3.2Å; D807-K810 WeakPolarHBondContact OD2-CE 3.48Å; D807-K810 WeakPolarHBondContact OD2-CG 3.33Å; D807-K810 IonicContact OD2-NZ 2.81Å; D807-I811 PolarHBondContact O-N 3.01Å
808	P	83.9	Confident	91.4	Very high	38 Å²	38	40.3 Å²	40.3	25%	0.247	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-33.5	-178.4	-28	36.7	0	0	0	114.3	P767 I811 Y812	P767-P808 HydrophobicContact CB-CB 4.45Å; P767-P808 HydrophobicContact CG-CB 4.45Å; P767-P808 HydrophobicContact CG-CG 4.47Å; P808-I811 PolarHBondContact O-N 3.49Å; P808-Y812 HydrophobicContact CB-CE2 3.8Å; P808-Y812 WeakPolarHBondContact O-CD2 3.47Å; P808-Y812 PolarHBondContact O-N 3.32Å
809	M	82.8	Confident	91.4	Very high	19 Å²	19	38.9 Å²	38.9	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-40.7	-178	-163.3	63.1	-104.1	0	0	111.3	F318 E383 L384 D807 Y812 N813	F318-M809 HydrophobicContact CB-CE 3.63Å; F318-M809 HydrophobicContact CB-SD 4.41Å; F318-M809 HydrophobicContact CD2-CE 3.94Å; F318-M809 HydrophobicContact CG-CE 3.8Å; E383-M809 HydrophobicContact CG-SD 4.14Å; L384-M809 HydrophobicContact CD1-CB 4.19Å; L384-M809 HydrophobicContact CD2-CB 3.97Å; L384-M809 HydrophobicContact CD2-CG 4.36Å; L384-M809 HydrophobicContact CD2-SD 3.65Å; L384-M809 HydrophobicContact CG-CB 4.21Å; L384-M809 HydrophobicContact CG-CG 4.41Å; L384-M809 HydrophobicContact CG-SD 3.91Å; D807-M809 VanDerWaalsContact C-N 3.25Å; D807-M809 PolarHBondContact O-N 2.89Å; D807-M809 WeakPolarHBondContact OD1-CB 3.28Å; D807-M809 PolarHBondContact OD1-N 3.4Å; D807-M809 VanDerWaalsContact OD1-N 3.14Å; M809-Y812 HydrophobicContact CE-CD2 4.36Å; M809-Y812 PolarHBondContact O-N 2.78Å; M809-N813 WeakPolarHBondContact CE-OD1 3.37Å; M809-N813 WeakPolarHBondContact O-CB 3.4Å; M809-N813 PolarHBondContact O-N 2.99Å
810	K	87.3	Confident	91.3	Very high	108 Å²	108	44.4 Å²	44.4	47%	0.47	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-41.8	172.5	-69	-175.2	-160.4	170.5	0	112.1	T806 D807 Y812 N813 V814	T806-K810 VanDerWaalsContact OG1-CD 3.32Å; T806-K810 WeakPolarHBondContact OG1-CD 3.33Å; T806-K810 WeakPolarHBondContact OG1-CE 3.4Å; T806-K810 PolarHBondContact OG1-NZ 2.99Å; D807-K810 PolarHBondContact O-N 3.05Å; D807-K810 PolarHBondContact OD1-N 3.26Å; D807-K810 VanDerWaalsContact OD2-CD 3.29Å; D807-K810 WeakPolarHBondContact OD2-CD 3.2Å; D807-K810 WeakPolarHBondContact OD2-CE 3.48Å; D807-K810 WeakPolarHBondContact OD2-CG 3.33Å; D807-K810 IonicContact OD2-NZ 2.81Å; K810-Y812 PolarHBondContact O-N 2.98Å; K810-N813 PolarHBondContact O-N 3.43Å; K810-V814 WeakPolarHBondContact O-CG2 3.47Å; K810-V814 PolarHBondContact O-N 3.2Å; K810-V814 VanDerWaalsContact O-N 3.09Å
811	I	92.3	Very high	91.2	Very high	10 Å²	10	46 Å²	46	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-52.2	175.6	-64.6	164.9	0	0	0	109.9	P767 E768 D807 P808 N813 V814 V815	P767-I811 HydrophobicContact CB-CD1 4.17Å; P767-I811 HydrophobicContact CB-CG2 4.44Å; E768-I811 HydrophobicContact CG-CD1 4.08Å; E768-I811 HydrophobicContact CG-CG2 4.36Å; D807-I811 PolarHBondContact O-N 3.01Å; P808-I811 PolarHBondContact O-N 3.49Å; I811-N813 VanDerWaalsContact C-N 3.35Å; I811-N813 PolarHBondContact O-N 3.5Å; I811-V814 PolarHBondContact O-N 3.35Å; I811-V814 VanDerWaalsContact O-N 3.08Å; I811-V815 HydrophobicContact CG2-CG2 4.38Å; I811-V815 WeakPolarHBondContact O-CG2 3.32Å; I811-V815 PolarHBondContact O-N 3.24Å
812	Y	91.3	Very high	91.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-41.2	178.9	-58.2	-30.1	0	0	0	112.7	L384 L387 Y388 F763 P767 V770 I775 P808 M809 K810 V814 V815 L816	L384-Y812 HydrophobicContact CD2-CD2 4.41Å; L384-Y812 HydrophobicContact CD2-CE2 4.21Å; L387-Y812 HydrophobicContact CD1-CD2 3.97Å; L387-Y812 HydrophobicContact CD1-CE2 4.06Å; Y388-Y812 HydrophobicContact CE1-CE2 4.07Å; F763-Y812 HydrophobicContact CZ-CE1 4.14Å; F763-Y812 HydrophobicContact CZ-CE2 4.06Å; F763-Y812 AromaticContact CZ-CZ 3.67Å; P767-Y812 HydrophobicContact CB-CE1 3.86Å; V770-Y812 HydrophobicContact CB-CE1 4.49Å; I775-Y812 HydrophobicContact CD1-CD1 3.63Å; I775-Y812 HydrophobicContact CD1-CG 4.05Å; I775-Y812 HydrophobicContact CG1-CD1 4.12Å; I775-Y812 HydrophobicContact CG2-CD1 4.44Å; I775-Y812 HydrophobicContact CG2-CD2 4.42Å; I775-Y812 HydrophobicContact CG2-CG 3.99Å; P808-Y812 HydrophobicContact CB-CE2 3.8Å; P808-Y812 WeakPolarHBondContact O-CD2 3.47Å; P808-Y812 PolarHBondContact O-N 3.32Å; M809-Y812 HydrophobicContact CE-CD2 4.36Å; M809-Y812 PolarHBondContact O-N 2.78Å; K810-Y812 PolarHBondContact O-N 2.98Å; Y812-V814 VanDerWaalsContact C-N 3.25Å; Y812-V814 PolarHBondContact O-N 3.46Å; Y812-V815 PolarHBondContact O-N 3.38Å; Y812-L816 VanDerWaalsContact O-CG 3.31Å; Y812-L816 WeakPolarHBondContact O-CG 3.28Å; Y812-L816 PolarHBondContact O-N 3.33Å
813	N	88.3	Confident	90.9	Very high	33 Å²	33	53.8 Å²	53.8	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-26.8	176.3	-79.6	-16.8	0	0	0	113.5	T317 M809 K810 I811 R817	T317-N813 PolarHBondContact OG1-ND2 3.33Å; M809-N813 WeakPolarHBondContact CE-OD1 3.37Å; M809-N813 WeakPolarHBondContact O-CB 3.4Å; M809-N813 PolarHBondContact O-N 2.99Å; K810-N813 PolarHBondContact O-N 3.43Å; I811-N813 VanDerWaalsContact C-N 3.35Å; I811-N813 PolarHBondContact O-N 3.5Å; N813-R817 WeakPolarHBondContact O-CG 3.48Å
814	V	92.2	Very high	90.9	Very high	45 Å²	45	55.3 Å²	55.3	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-82.1	-40.4	171.7	-173.2	0	0	0	0	110.8	F803 K810 I811 Y812 L816 R817 G818	F803-V814 HydrophobicContact CD1-CG1 3.85Å; K810-V814 WeakPolarHBondContact O-CG2 3.47Å; K810-V814 PolarHBondContact O-N 3.2Å; K810-V814 VanDerWaalsContact O-N 3.09Å; I811-V814 PolarHBondContact O-N 3.35Å; I811-V814 VanDerWaalsContact O-N 3.08Å; Y812-V814 VanDerWaalsContact C-N 3.25Å; Y812-V814 PolarHBondContact O-N 3.46Å; V814-L816 PolarHBondContact O-N 3.12Å; V814-R817 WeakPolarHBondContact O-CB 3.41Å; V814-R817 PolarHBondContact O-N 3.02Å; V814-G818 PolarHBondContact O-N 2.97Å
815	V	95.1	Very high	91	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53.9	-42.6	173.3	169.3	0	0	0	0	111.5	P772 I775 W787 F803 I811 Y812 R817 G818	P772-V815 HydrophobicContact CG-CG1 3.87Å; I775-V815 HydrophobicContact CD1-CB 3.8Å; I775-V815 HydrophobicContact CD1-CG1 3.45Å; I775-V815 VanDerWaalsContact CD1-CG1 3.45Å; I775-V815 HydrophobicContact CD1-CG2 4.4Å; W787-V815 HydrophobicContact CH2-CG1 4.26Å; W787-V815 HydrophobicContact CZ2-CG1 3.73Å; F803-V815 HydrophobicContact CB-CG2 3.76Å; F803-V815 HydrophobicContact CD1-CG2 4.46Å; F803-V815 HydrophobicContact CD2-CG2 3.73Å; F803-V815 HydrophobicContact CE2-CG2 4.45Å; F803-V815 HydrophobicContact CG-CG2 3.73Å; I811-V815 HydrophobicContact CG2-CG2 4.38Å; I811-V815 WeakPolarHBondContact O-CG2 3.32Å; I811-V815 PolarHBondContact O-N 3.24Å; Y812-V815 PolarHBondContact O-N 3.38Å; V815-R817 VanDerWaalsContact C-N 3.26Å; V815-R817 PolarHBondContact O-N 2.78Å; V815-G818 WeakPolarHBondContact O-CA 3.31Å; V815-G818 PolarHBondContact O-N 3.19Å
816	L	92.3	Very high	91.1	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.063	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.5	178.6	-64.8	177.5	0	0	0	114.4	F318 P772 I775 L776 Y812 V814	F318-L816 HydrophobicContact CD2-CD1 3.86Å; F318-L816 HydrophobicContact CE2-CD1 4.07Å; P772-L816 HydrophobicContact CB-CD2 4.18Å; I775-L816 HydrophobicContact CB-CD2 4.43Å; I775-L816 HydrophobicContact CG2-CD1 4.39Å; L776-L816 HydrophobicContact CD1-CD2 4.01Å; L776-L816 HydrophobicContact CD2-CD1 4.01Å; L776-L816 HydrophobicContact CD2-CD2 3.79Å; L776-L816 HydrophobicContact CG-CD2 3.7Å; Y812-L816 VanDerWaalsContact O-CG 3.31Å; Y812-L816 WeakPolarHBondContact O-CG 3.28Å; Y812-L816 PolarHBondContact O-N 3.33Å; V814-L816 PolarHBondContact O-N 3.12Å
817	R	91.5	Very high	91.5	Very high	172 Å²	172	60 Å²	60	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.4	167	-64.5	173.1	-174.8	-165.3	-2.5	111.8	N813 V814 V815 C821 Q843	N813-R817 WeakPolarHBondContact O-CG 3.48Å; V814-R817 WeakPolarHBondContact O-CB 3.41Å; V814-R817 PolarHBondContact O-N 3.02Å; V815-R817 VanDerWaalsContact C-N 3.26Å; V815-R817 PolarHBondContact O-N 2.78Å; R817-C821 HydrophobicContact CB-CB 4.28Å; R817-Q843 VanDerWaalsContact C-NE2 3.29Å; R817-Q843 PolarHBondContact O-NE2 2.92Å
818	G	94	Very high	91.9	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.01	31%	0.306	C	S	.	.			trans	88.2	170.1	175.2	0	0	0	0	0	114.9	V814 V815 D820 C821	V814-G818 PolarHBondContact O-N 2.97Å; V815-G818 WeakPolarHBondContact O-CA 3.31Å; V815-G818 PolarHBondContact O-N 3.19Å; G818-D820 VanDerWaalsContact C-N 3.25Å; G818-D820 PolarHBondContact O-N 2.97Å; G818-C821 PolarHBondContact O-N 3.44Å
819	I	97	Very high	92.6	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.7	-21.8	-172.9	-164.5	63.8	0	0	0	113.7	P802 F803 C821 V822 F824 I837 K838 C841	P802-I819 HydrophobicContact CB-CD1 4.07Å; P802-I819 HydrophobicContact CG-CD1 4.27Å; F803-I819 HydrophobicContact CE1-CD1 4.46Å; F803-I819 HydrophobicContact CE2-CD1 4.26Å; F803-I819 HydrophobicContact CZ-CB 4.17Å; F803-I819 HydrophobicContact CZ-CD1 3.78Å; I819-C821 PolarHBondContact O-N 3.03Å; I819-V822 HydrophobicContact CD1-CB 4.3Å; I819-V822 HydrophobicContact CD1-CG2 4.19Å; I819-V822 WeakPolarHBondContact O-CB 3.42Å; I819-V822 PolarHBondContact O-N 3.4Å; I819-V822 VanDerWaalsContact O-N 3.11Å; I819-F824 HydrophobicContact CD1-CE2 4.33Å; I819-F824 HydrophobicContact CD1-CZ 3.96Å; I819-F824 HydrophobicContact CG1-CE2 4.09Å; I819-F824 HydrophobicContact CG1-CZ 3.81Å; I819-I837 HydrophobicContact CD1-CG2 4.21Å; I819-I837 HydrophobicContact CG1-CG2 4.31Å; I819-K838 HydrophobicContact CG1-CG 4.44Å; I819-K838 HydrophobicContact CG2-CB 4.44Å; I819-K838 HydrophobicContact CG2-CG 4.26Å; I819-C841 HydrophobicContact CB-CB 3.7Å; I819-C841 HydrophobicContact CD1-CB 4.14Å; I819-C841 HydrophobicContact CG1-CB 3.78Å; I819-C841 HydrophobicContact CG2-CB 3.95Å; I819-C841 VanDerWaalsContact CG2-O 3.29Å; I819-C841 WeakPolarHBondContact CG2-O 3.46Å
820	D	95	Very high	93.2	Very high	118 Å²	118	58.3 Å²	58.3	63%	0.631	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-72.6	-14.9	177.9	-68	-62.1	0	0	0	113.7	G818 V822 K838	G818-D820 VanDerWaalsContact C-N 3.25Å; G818-D820 PolarHBondContact O-N 2.97Å; D820-V822 VanDerWaalsContact C-N 3.31Å; D820-K838 WeakPolarHBondContact OD1-CE 3.21Å; D820-K838 IonicContact OD1-NZ 2.69Å; D820-K838 PolarHBondContact OD1-NZ 3.16Å
821	C	93.1	Very high	93.7	Very high	91 Å²	91	63.9 Å²	63.9	62%	0.615	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-85.6	1.4	169.4	-62.5	0	0	0	0	113.7	R817 G818 I819	R817-C821 HydrophobicContact CB-CB 4.28Å; G818-C821 PolarHBondContact O-N 3.44Å; I819-C821 PolarHBondContact O-N 3.03Å
822	V	94.9	Very high	93.9	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.115	33%	0.332	C	S	.	.	S	Bend	trans	-99.3	135.2	179.2	-178.8	0	0	0	0	109.8	Y794 P802 F803 I819 D820 F824	Y794-V822 HydrophobicContact CE2-CG1 3.93Å; P802-V822 HydrophobicContact CB-CG1 3.85Å; P802-V822 HydrophobicContact CB-CG2 4.26Å; F803-V822 HydrophobicContact CD1-CG2 3.86Å; F803-V822 HydrophobicContact CE1-CG2 3.44Å; F803-V822 VanDerWaalsContact CE1-CG2 3.44Å; F803-V822 HydrophobicContact CZ-CG2 4.23Å; I819-V822 HydrophobicContact CD1-CB 4.3Å; I819-V822 HydrophobicContact CD1-CG2 4.19Å; I819-V822 WeakPolarHBondContact O-CB 3.42Å; I819-V822 PolarHBondContact O-N 3.4Å; I819-V822 VanDerWaalsContact O-N 3.11Å; D820-V822 VanDerWaalsContact C-N 3.31Å; V822-F824 HydrophobicContact CB-CE2 4.32Å; V822-F824 HydrophobicContact CG1-CE2 4.49Å; V822-F824 VanDerWaalsContact O-CD2 3.31Å; V822-F824 WeakPolarHBondContact O-CD2 3.49Å
823	E	93.1	Very high	94.2	Very high	170 Å²	170	65.9 Å²	65.9	79%	0.794	33%	0.332	S	S	*	.			trans	-76.9	136.5	174.6	-170.5	173.4	-174.7	0	0	111.1	Y794	Y794-E823 PolarHBondContact OH-O 2.8Å
824	F	96.2	Very high	94.7	Very high	31 Å²	31	65.7 Å²	65.7	14%	0.136	33%	0.332	C	S	.	.			trans	-114.3	101	178	-77.2	-103.7	0	0	0	109.2	Y794 I819 V822 P826 I829 T834 I837 K838	Y794-F824 HydrophobicContact CD2-CD1 4.34Å; Y794-F824 AromaticContact CD2-CE1 3.84Å; Y794-F824 HydrophobicContact CD2-CE1 3.84Å; Y794-F824 HydrophobicContact CD2-CZ 4.2Å; Y794-F824 HydrophobicContact CE2-CD1 4.23Å; Y794-F824 HydrophobicContact CE2-CE1 4.08Å; Y794-F824 HydrophobicContact CE2-CZ 4.32Å; I819-F824 HydrophobicContact CD1-CE2 4.33Å; I819-F824 HydrophobicContact CD1-CZ 3.96Å; I819-F824 HydrophobicContact CG1-CE2 4.09Å; I819-F824 HydrophobicContact CG1-CZ 3.81Å; V822-F824 HydrophobicContact CB-CE2 4.32Å; V822-F824 HydrophobicContact CG1-CE2 4.49Å; V822-F824 VanDerWaalsContact O-CD2 3.31Å; V822-F824 WeakPolarHBondContact O-CD2 3.49Å; F824-P826 VanDerWaalsContact O-CD 3.26Å; F824-P826 WeakPolarHBondContact O-CD 3.21Å; F824-I829 HydrophobicContact CD1-CD1 3.67Å; F824-I829 HydrophobicContact CD1-CG2 4.16Å; F824-I829 HydrophobicContact CE1-CD1 4.26Å; F824-I829 HydrophobicContact CG-CD1 4.46Å; F824-T834 HydrophobicContact CB-CG2 4.15Å; F824-T834 HydrophobicContact CD1-CG2 3.62Å; F824-T834 HydrophobicContact CD2-CG2 4.41Å; F824-T834 HydrophobicContact CE1-CG2 4.08Å; F824-T834 HydrophobicContact CG-CG2 3.81Å; F824-I837 HydrophobicContact CE1-CB 3.98Å; F824-I837 HydrophobicContact CE1-CD1 3.89Å; F824-I837 HydrophobicContact CE1-CG2 3.8Å; F824-I837 HydrophobicContact CZ-CB 4.34Å; F824-I837 HydrophobicContact CZ-CG2 3.8Å; F824-K838 HydrophobicContact CE2-CG 4.29Å; F824-K838 HydrophobicContact CZ-CG 4.11Å
825	D	93.9	Very high	94.9	Very high	61 Å²	61	67.3 Å²	67.3	33%	0.326	34%	0.342	S	S	.	.			trans	-63.4	113.2	176	179.5	-4.8	0	0	0	110.5	M827 N828 I829	D825-M827 PolarHBondContact O-N 3.4Å; D825-M827 VanDerWaalsContact OD1-CB 3.3Å; D825-M827 WeakPolarHBondContact OD1-CB 3.45Å; D825-M827 PolarHBondContact OD1-N 3.07Å; D825-N828 HydrophobicContact CB-CB 4.41Å; D825-N828 PolarHBondContact O-N 3.44Å; D825-N828 VanDerWaalsContact O-N 3.07Å; D825-N828 VanDerWaalsContact OD2-CG 3.26Å; D825-N828 PolarHBondContact OD2-ND2 2.89Å; D825-I829 PolarHBondContact O-N 2.78Å
826	P	92.3	Very high	95.1	Very high	113 Å²	113	67.3 Å²	67.3	73%	0.734	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.4	-178.1	31.8	-36.7	0	0	0	113.8	F824 N828	F824-P826 VanDerWaalsContact O-CD 3.26Å; F824-P826 WeakPolarHBondContact O-CD 3.21Å; P826-N828 VanDerWaalsContact C-N 3.34Å
827	M	92.3	Very high	95.4	Very high	164 Å²	164	66.8 Å²	66.8	81%	0.808	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.7	170.8	-60.5	-170.9	69.8	0	0	112.5	D825	D825-M827 PolarHBondContact O-N 3.4Å; D825-M827 VanDerWaalsContact OD1-CB 3.3Å; D825-M827 WeakPolarHBondContact OD1-CB 3.45Å; D825-M827 PolarHBondContact OD1-N 3.07Å
828	N	92.1	Very high	95.7	Very high	39 Å²	39	62 Å²	62	21%	0.209	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-32.9	-172.9	-54.1	-23.9	0	0	0	112.5	R700 D825 P826	R700-N828 PolarHBondContact NH1-ND2 2.96Å; R700-N828 PolarHBondContact NH1-OD1 2.92Å; R700-N828 PolarHBondContact NH2-OD1 3.44Å; D825-N828 HydrophobicContact CB-CB 4.41Å; D825-N828 PolarHBondContact O-N 3.44Å; D825-N828 VanDerWaalsContact O-N 3.07Å; D825-N828 VanDerWaalsContact OD2-CG 3.26Å; D825-N828 PolarHBondContact OD2-ND2 2.89Å; P826-N828 VanDerWaalsContact C-N 3.34Å
829	I	97.1	Very high	95.9	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.015	35%	0.345	C	S	.	.	S	Bend	trans	-117.3	114.3	-177.8	-50.9	177.4	0	0	0	109	Y794 L797 T798 F824 D825 A833 T834 I837	Y794-I829 HydrophobicContact CD2-CD1 3.66Å; Y794-I829 HydrophobicContact CE2-CD1 3.58Å; Y794-I829 HydrophobicContact CG-CD1 4.4Å; L797-I829 HydrophobicContact CB-CG1 4.22Å; L797-I829 HydrophobicContact CD1-CG2 4.04Å; T798-I829 HydrophobicContact CG2-CD1 3.76Å; T798-I829 HydrophobicContact CG2-CG1 3.97Å; F824-I829 HydrophobicContact CD1-CD1 3.67Å; F824-I829 HydrophobicContact CD1-CG2 4.16Å; F824-I829 HydrophobicContact CE1-CD1 4.26Å; F824-I829 HydrophobicContact CG-CD1 4.46Å; D825-I829 PolarHBondContact O-N 2.78Å; I829-A833 HydrophobicContact CG2-CB 3.62Å; I829-T834 VanDerWaalsContact CG2-OG1 3.29Å; I829-T834 WeakPolarHBondContact CG2-OG1 3.32Å; I829-I837 HydrophobicContact CG2-CD1 3.92Å
830	S	96.3	Very high	95.9	Very high	32 Å²	32	67.7 Å²	67.7	22%	0.224	34%	0.344	C	S	.	.			trans	-65.5	153.3	177.4	61.1	0	0	0	0	112.2	D703 T832 A833 T834	D703-S830 WeakPolarHBondContact OD2-CB 3.4Å; D703-S830 PolarHBondContact OD2-OG 3.28Å; S830-T832 PolarHBondContact O-N 3.35Å; S830-T832 VanDerWaalsContact O-N 3.11Å; S830-T832 PolarHBondContact OG-OG1 3.43Å; S830-A833 CarbonylContact O-C 3.59Å; S830-A833 WeakPolarHBondContact O-CA 3.45Å; S830-A833 WeakPolarHBondContact O-CB 3.48Å; S830-A833 PolarHBondContact O-N 3.11Å; S830-T834 PolarHBondContact O-N 3.45Å; S830-T834 PolarHBondContact O-OG1 2.98Å
831	R	97.1	Very high	96.1	Very high	224 Å²	224	62.1 Å²	62.1	85%	0.845	31%	0.314	S	S	*	.	H	α-helix	trans	-55.6	-34.2	-177.3	-66.2	-177.1	-177.8	173.8	1	113.6	T835	R831-T835 PolarHBondContact O-N 3.09Å; R831-T835 VanDerWaalsContact O-N 3.1Å; R831-T835 PolarHBondContact O-OG1 2.83Å
832	T	97.3	Very high	96.2	Very high	53 Å²	53	58.5 Å²	58.5	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-71.7	-40.2	175.3	45.1	0	0	0	0	111.8	S830 T835 L836 K863	S830-T832 PolarHBondContact O-N 3.35Å; S830-T832 VanDerWaalsContact O-N 3.11Å; S830-T832 PolarHBondContact OG-OG1 3.43Å; T832-T835 PolarHBondContact O-N 2.93Å; T832-L836 WeakPolarHBondContact O-CB 3.32Å; T832-L836 PolarHBondContact O-N 2.76Å; T832-K863 HydrophobicContact CG2-CB 4.14Å
833	A	98.1	Very high	96	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-48.6	171.1	0	0	0	0	0	111.4	L797 I829 S830 T835 L836 I837 Y864	L797-A833 HydrophobicContact CD1-CB 3.68Å; I829-A833 HydrophobicContact CG2-CB 3.62Å; S830-A833 CarbonylContact O-C 3.59Å; S830-A833 WeakPolarHBondContact O-CA 3.45Å; S830-A833 WeakPolarHBondContact O-CB 3.48Å; S830-A833 PolarHBondContact O-N 3.11Å; A833-T835 VanDerWaalsContact C-N 3.31Å; A833-T835 PolarHBondContact O-N 3.3Å; A833-L836 PolarHBondContact O-N 3.26Å; A833-L836 VanDerWaalsContact O-N 3.08Å; A833-I837 VanDerWaalsContact O-CG1 3.28Å; A833-I837 WeakPolarHBondContact O-CG1 3.46Å; A833-I837 PolarHBondContact O-N 2.97Å; A833-Y864 HydrophobicContact CB-CD2 3.97Å; A833-Y864 HydrophobicContact CB-CE2 3.61Å
834	T	98.2	Very high	95.8	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-44.5	177.1	-60.6	0	0	0	0	112	F824 I829 S830 I837 K838	F824-T834 HydrophobicContact CB-CG2 4.15Å; F824-T834 HydrophobicContact CD1-CG2 3.62Å; F824-T834 HydrophobicContact CD2-CG2 4.41Å; F824-T834 HydrophobicContact CE1-CG2 4.08Å; F824-T834 HydrophobicContact CG-CG2 3.81Å; I829-T834 VanDerWaalsContact CG2-OG1 3.29Å; I829-T834 WeakPolarHBondContact CG2-OG1 3.32Å; S830-T834 PolarHBondContact O-N 3.45Å; S830-T834 PolarHBondContact O-OG1 2.98Å; T834-I837 PolarHBondContact O-N 2.77Å; T834-K838 WeakPolarHBondContact O-CB 3.48Å; T834-K838 WeakPolarHBondContact O-CG 3.37Å; T834-K838 PolarHBondContact O-N 2.62Å
835	T	97.3	Very high	95.5	Very high	79 Å²	79	56.5 Å²	56.5	49%	0.485	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-37.4	177.9	-58.3	0	0	0	0	111.9	R831 T832 A833 R839	R831-T835 PolarHBondContact O-N 3.09Å; R831-T835 VanDerWaalsContact O-N 3.1Å; R831-T835 PolarHBondContact O-OG1 2.83Å; T832-T835 PolarHBondContact O-N 2.93Å; A833-T835 VanDerWaalsContact C-N 3.31Å; A833-T835 PolarHBondContact O-N 3.3Å; T835-R839 VanDerWaalsContact O-CG 3.32Å; T835-R839 WeakPolarHBondContact O-CG 3.31Å; T835-R839 PolarHBondContact O-N 3.17Å
836	L	98.2	Very high	95	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-49.5	174.6	175.5	60.3	0	0	0	111.5	I793 T832 A833 K838 R839 L840 L849 I859 N862 Y864 F865	I793-L836 HydrophobicContact CD1-CD2 3.74Å; I793-L836 HydrophobicContact CD1-CG 4.01Å; T832-L836 WeakPolarHBondContact O-CB 3.32Å; T832-L836 PolarHBondContact O-N 2.76Å; A833-L836 PolarHBondContact O-N 3.26Å; A833-L836 VanDerWaalsContact O-N 3.08Å; L836-K838 PolarHBondContact O-N 3.05Å; L836-R839 PolarHBondContact O-N 3.33Å; L836-L840 HydrophobicContact CD1-CD1 3.67Å; L836-L840 HydrophobicContact CD1-CG 3.9Å; L836-L840 HydrophobicContact CD2-CD1 4.47Å; L836-L840 HydrophobicContact CG-CD1 3.78Å; L836-L840 HydrophobicContact CG-CG 4.4Å; L836-L840 WeakPolarHBondContact O-CB 3.28Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 2.96Å; L836-L849 HydrophobicContact CD1-CD2 3.77Å; L836-I859 HydrophobicContact CD1-CG2 4.2Å; L836-N862 HydrophobicContact CD1-CB 4.19Å; L836-Y864 HydrophobicContact CD2-CD1 3.51Å; L836-Y864 HydrophobicContact CD2-CE1 4.36Å; L836-Y864 HydrophobicContact CD2-CG 3.75Å; L836-F865 HydrophobicContact CD2-CE2 3.85Å; L836-F865 HydrophobicContact CD2-CZ 4.46Å
837	I	98.7	Very high	94.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-49.7	179.4	-64.9	159.5	0	0	0	110.1	I793 Y794 I819 F824 I829 A833 T834 R839 L840 C841	I793-I837 HydrophobicContact CB-CD1 4.41Å; I793-I837 HydrophobicContact CB-CG1 3.95Å; I793-I837 HydrophobicContact CG2-CD1 3.88Å; I793-I837 HydrophobicContact CG2-CG1 3.74Å; Y794-I837 HydrophobicContact CD2-CD1 4.35Å; I819-I837 HydrophobicContact CD1-CG2 4.21Å; I819-I837 HydrophobicContact CG1-CG2 4.31Å; F824-I837 HydrophobicContact CE1-CB 3.98Å; F824-I837 HydrophobicContact CE1-CD1 3.89Å; F824-I837 HydrophobicContact CE1-CG2 3.8Å; F824-I837 HydrophobicContact CZ-CB 4.34Å; F824-I837 HydrophobicContact CZ-CG2 3.8Å; I829-I837 HydrophobicContact CG2-CD1 3.92Å; A833-I837 VanDerWaalsContact O-CG1 3.28Å; A833-I837 WeakPolarHBondContact O-CG1 3.46Å; A833-I837 PolarHBondContact O-N 2.97Å; T834-I837 PolarHBondContact O-N 2.77Å; I837-R839 VanDerWaalsContact C-N 3.31Å; I837-R839 PolarHBondContact O-N 2.84Å; I837-L840 PolarHBondContact O-N 3.46Å; I837-L840 VanDerWaalsContact O-N 3.16Å; I837-C841 WeakPolarHBondContact O-CB 3.34Å; I837-C841 PolarHBondContact O-N 3.1Å
838	K	98.2	Very high	94.8	Very high	71 Å²	71	46.2 Å²	46.2	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-59.4	-39.8	179.4	-74.3	-163.2	170	-153.2	0	112.9	I819 D820 F824 T834 L836 C841 A842	I819-K838 HydrophobicContact CG1-CG 4.44Å; I819-K838 HydrophobicContact CG2-CB 4.44Å; I819-K838 HydrophobicContact CG2-CG 4.26Å; D820-K838 WeakPolarHBondContact OD1-CE 3.21Å; D820-K838 IonicContact OD1-NZ 2.69Å; D820-K838 PolarHBondContact OD1-NZ 3.16Å; F824-K838 HydrophobicContact CE2-CG 4.29Å; F824-K838 HydrophobicContact CZ-CG 4.11Å; T834-K838 WeakPolarHBondContact O-CB 3.48Å; T834-K838 WeakPolarHBondContact O-CG 3.37Å; T834-K838 PolarHBondContact O-N 2.62Å; L836-K838 PolarHBondContact O-N 3.05Å; K838-C841 CarbonylContact O-C 3.59Å; K838-C841 PolarHBondContact O-N 2.87Å; K838-A842 PolarHBondContact O-N 2.94Å
839	R	96.9	Very high	94.7	Very high	125 Å²	125	44.8 Å²	44.8	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-75.5	-25.4	177.5	-66.7	-174.2	72.5	-161.7	2.3	114.1	T835 L836 I837 R848 L849	T835-R839 VanDerWaalsContact O-CG 3.32Å; T835-R839 WeakPolarHBondContact O-CG 3.31Å; T835-R839 PolarHBondContact O-N 3.17Å; L836-R839 PolarHBondContact O-N 3.33Å; I837-R839 VanDerWaalsContact C-N 3.31Å; I837-R839 PolarHBondContact O-N 2.84Å; R839-R848 WeakPolarHBondContact O-CA 3.43Å; R839-L849 HydrophobicContact CB-CB 3.97Å; R839-L849 PolarHBondContact O-N 3.27Å
840	L	98.3	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-79.6	-31	171.2	-73.4	172.9	0	0	0	112.1	W787 L789 I793 L836 I837 R848 L849 I859	W787-L840 WeakPolarHBondContact CA-O 3.13Å; L789-L840 HydrophobicContact CB-CD1 4.43Å; L789-L840 HydrophobicContact CD2-CD1 4.18Å; L789-L840 HydrophobicContact CD2-CD2 4.47Å; L789-L840 HydrophobicContact CG-CD1 4.36Å; I793-L840 HydrophobicContact CD1-CD1 3.42Å; I793-L840 VanDerWaalsContact CD1-CD1 3.42Å; L836-L840 HydrophobicContact CD1-CD1 3.67Å; L836-L840 HydrophobicContact CD1-CG 3.9Å; L836-L840 HydrophobicContact CD2-CD1 4.47Å; L836-L840 HydrophobicContact CG-CD1 3.78Å; L836-L840 HydrophobicContact CG-CG 4.4Å; L836-L840 WeakPolarHBondContact O-CB 3.28Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 2.96Å; I837-L840 PolarHBondContact O-N 3.46Å; I837-L840 VanDerWaalsContact O-N 3.16Å; L840-R848 WeakPolarHBondContact O-CD 3.41Å; L840-R848 WeakPolarHBondContact O-CG 3.26Å; L840-L849 HydrophobicContact CD2-CB 4.42Å; L840-L849 WeakPolarHBondContact CD2-O 3.28Å; L840-I859 HydrophobicContact CD2-CD1 3.8Å; L840-I859 HydrophobicContact CD2-CG1 4.06Å; L840-I859 HydrophobicContact CD2-CG2 4.36Å
841	C	98.3	Very high	93.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-100	31.3	177.6	-60.5	0	0	0	0	112.7	W787 I819 I837 K838 Q843	W787-C841 HydrophobicContact CE3-CB 4.06Å; W787-C841 HydrophobicContact CH2-CB 4.29Å; W787-C841 VanDerWaalsContact CZ3-C 3.48Å; W787-C841 HydrophobicContact CZ3-CB 3.95Å; W787-C841 WeakPolarHBondContact CZ3-O 3.44Å; I819-C841 HydrophobicContact CB-CB 3.7Å; I819-C841 HydrophobicContact CD1-CB 4.14Å; I819-C841 HydrophobicContact CG1-CB 3.78Å; I819-C841 HydrophobicContact CG2-CB 3.95Å; I819-C841 VanDerWaalsContact CG2-O 3.29Å; I819-C841 WeakPolarHBondContact CG2-O 3.46Å; I837-C841 WeakPolarHBondContact O-CB 3.34Å; I837-C841 PolarHBondContact O-N 3.1Å; K838-C841 CarbonylContact O-C 3.59Å; K838-C841 PolarHBondContact O-N 2.87Å; C841-Q843 PolarHBondContact O-N 3.11Å
842	A	95.6	Very high	92.4	Very high	15 Å²	15	33 Å²	33	12%	0.124	17%	0.169	C	C	.	.			trans	-61.8	131.2	167.7	0	0	0	0	0	109.3	K838 E847 R848	K838-A842 PolarHBondContact O-N 2.94Å; A842-E847 HydrophobicContact CB-CB 4.18Å; A842-R848 HydrophobicContact CB-CB 4.27Å; A842-R848 HydrophobicContact CB-CG 4.46Å; A842-R848 PolarHBondContact O-NE 3.2Å; A842-R848 PolarHBondContact O-NH2 2.89Å
843	Q	91.5	Very high	90.7	Very high	94 Å²	94	37.2 Å²	37.2	44%	0.439	18%	0.179	S	C	.	.	S	Bend	trans	-60.1	-49.3	-178.1	-71.7	-160.2	26.1	0	0	110.9	R817 C841 P845 R848	R817-Q843 VanDerWaalsContact C-NE2 3.29Å; R817-Q843 PolarHBondContact O-NE2 2.92Å; C841-Q843 PolarHBondContact O-N 3.11Å; Q843-P845 WeakPolarHBondContact O-CD 3.06Å; Q843-R848 PolarHBondContact O-NH2 2.88Å
844	N	87.6	Confident	89.2	Confident	54 Å²	54	38.2 Å²	38.2	29%	0.289	19%	0.19	S	C	.	.	S	Bend	trans	-71.6	121.7	174.6	-171.9	-3.8	0	0	0	110	A846 E847	N844-A846 PolarHBondContact O-N 3.45Å; N844-A846 VanDerWaalsContact OD1-CB 3.25Å; N844-A846 WeakPolarHBondContact OD1-CB 3.17Å; N844-A846 PolarHBondContact OD1-N 3Å; N844-A846 VanDerWaalsContact OD1-N 3.12Å; N844-E847 HydrophobicContact CB-CB 4.46Å; N844-E847 HydrophobicContact CB-CG 4.23Å; N844-E847 WeakPolarHBondContact CB-OE1 3.2Å; N844-E847 PolarHBondContact ND2-OE1 2.69Å; N844-E847 PolarHBondContact O-N 3.34Å
845	P	90	Very high	88.3	Confident	31 Å²	31	37.4 Å²	37.4	20%	0.201	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55	-31.5	174.2	-28.5	38	0	0	0	113.5	E773 Q843 E847 R848 Y851	E773-P845 HydrophobicContact CB-CG 3.91Å; E773-P845 HydrophobicContact CG-CG 3.87Å; Q843-P845 WeakPolarHBondContact O-CD 3.06Å; P845-E847 PolarHBondContact O-N 3.48Å; P845-R848 VanDerWaalsContact O-CB 3.24Å; P845-R848 WeakPolarHBondContact O-CB 3.26Å; P845-R848 PolarHBondContact O-N 2.95Å; P845-Y851 VanDerWaalsContact O-CB 3.22Å; P845-Y851 WeakPolarHBondContact O-CB 3.37Å
846	A	83.2	Confident	87.9	Confident	8 Å²	8	34.5 Å²	34.5	7%	0.066	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.9	-45.3	-179.7	0	0	0	0	0	113.6	V451 N844 R848	V451-A846 HydrophobicContact CB-CB 3.93Å; V451-A846 HydrophobicContact CG1-CB 3.34Å; N844-A846 PolarHBondContact O-N 3.45Å; N844-A846 VanDerWaalsContact OD1-CB 3.25Å; N844-A846 WeakPolarHBondContact OD1-CB 3.17Å; N844-A846 PolarHBondContact OD1-N 3Å; N844-A846 VanDerWaalsContact OD1-N 3.12Å; A846-R848 VanDerWaalsContact C-N 3.27Å; A846-R848 PolarHBondContact O-N 3.06Å
847	E	86.8	Confident	87.3	Confident	109 Å²	109	38.8 Å²	38.8	51%	0.509	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-80.4	-12.1	-176.1	-66.9	156.8	-135.4	0	0	112.4	A842 N844 P845 L849	A842-E847 HydrophobicContact CB-CB 4.18Å; N844-E847 HydrophobicContact CB-CB 4.46Å; N844-E847 HydrophobicContact CB-CG 4.23Å; N844-E847 WeakPolarHBondContact CB-OE1 3.2Å; N844-E847 PolarHBondContact ND2-OE1 2.69Å; N844-E847 PolarHBondContact O-N 3.34Å; P845-E847 PolarHBondContact O-N 3.48Å; E847-L849 PolarHBondContact O-N 2.87Å
848	R	93.2	Very high	86.7	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.015	20%	0.201	C	C	.	.	S	Bend	trans	-68.7	127.4	-172.1	-157.6	173.6	-68.5	158	4.3	110.8	E773 S783 R839 L840 A842 Q843 P845 A846 G850 Y851	E773-R848 IonicContact OE1-CZ 2.62Å; E773-R848 IonicContact OE1-NH1 2.67Å; E773-R848 PolarHBondContact OE1-NH1 2.91Å; E773-R848 IonicContact OE1-NH2 2.74Å; E773-R848 IonicContact OE2-CZ 2.61Å; E773-R848 IonicContact OE2-NH1 3.94Å; E773-R848 PolarHBondContact OE2-NH1 3.44Å; E773-R848 IonicContact OE2-NH2 2.84Å; E773-R848 PolarHBondContact OE2-NH2 2.91Å; S783-R848 VanDerWaalsContact C-NH1 3.27Å; S783-R848 VanDerWaalsContact O-CD 3.32Å; S783-R848 WeakPolarHBondContact O-CD 3.28Å; S783-R848 PolarHBondContact O-NH1 3.12Å; R839-R848 WeakPolarHBondContact O-CA 3.43Å; L840-R848 WeakPolarHBondContact O-CD 3.41Å; L840-R848 WeakPolarHBondContact O-CG 3.26Å; A842-R848 HydrophobicContact CB-CB 4.27Å; A842-R848 HydrophobicContact CB-CG 4.46Å; A842-R848 PolarHBondContact O-NE 3.2Å; A842-R848 PolarHBondContact O-NH2 2.89Å; Q843-R848 PolarHBondContact O-NH2 2.88Å; P845-R848 VanDerWaalsContact O-CB 3.24Å; P845-R848 WeakPolarHBondContact O-CB 3.26Å; P845-R848 PolarHBondContact O-N 2.95Å; A846-R848 VanDerWaalsContact C-N 3.27Å; A846-R848 PolarHBondContact O-N 3.06Å; R848-G850 PolarHBondContact O-N 3.16Å; R848-G850 VanDerWaalsContact O-N 3.15Å; R848-Y851 VanDerWaalsContact O-CB 3.3Å; R848-Y851 WeakPolarHBondContact O-CB 3.43Å; R848-Y851 PolarHBondContact O-N 3.15Å
849	L	91.7	Very high	86.6	Confident	9 Å²	9	37.5 Å²	37.5	5%	0.047	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	122.7	175.7	-175.1	67.1	0	0	0	109.2	L836 R839 L840 E847 D858 I859 N862	L836-L849 HydrophobicContact CD1-CD2 3.77Å; R839-L849 HydrophobicContact CB-CB 3.97Å; R839-L849 PolarHBondContact O-N 3.27Å; L840-L849 HydrophobicContact CD2-CB 4.42Å; L840-L849 WeakPolarHBondContact CD2-O 3.28Å; E847-L849 PolarHBondContact O-N 2.87Å; L849-D858 HydrophobicContact CD1-CB 3.74Å; L849-I859 HydrophobicContact CD2-CG1 4.23Å; L849-I859 HydrophobicContact CG-CG1 3.86Å; L849-N862 HydrophobicContact CD2-CB 4.42Å
850	G	88.1	Confident	86.3	Confident	2 Å²	2	33.2 Å²	33.2	2%	0.021	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.6	-19.8	-171.6	0	0	0	0	0	115	Y786 R848 G855	Y786-G850 WeakPolarHBondContact CE2-O 3.1Å; R848-G850 PolarHBondContact O-N 3.16Å; R848-G850 VanDerWaalsContact O-N 3.15Å; G850-G855 WeakPolarHBondContact CA-O 3.48Å; G850-G855 CarbonylContact O-C 3.59Å; G850-G855 WeakPolarHBondContact O-CA 3.46Å
851	Y	84.2	Confident	85.8	Confident	6 Å²	6	40.3 Å²	40.3	2%	0.024	21%	0.205	C	C	.	.	S	Bend	trans	-70.9	-43.1	-171.8	-173.3	-112.1	0	0	0	114.7	K447 V451 D781 P845 R848	K447-Y851 PolarHBondContact NZ-O 2.78Å; V451-Y851 HydrophobicContact CG1-CD1 4.45Å; V451-Y851 HydrophobicContact CG1-CE1 3.87Å; D781-Y851 WeakPolarHBondContact OD2-CE2 3.17Å; P845-Y851 VanDerWaalsContact O-CB 3.22Å; P845-Y851 WeakPolarHBondContact O-CB 3.37Å; R848-Y851 VanDerWaalsContact O-CB 3.3Å; R848-Y851 WeakPolarHBondContact O-CB 3.43Å; R848-Y851 PolarHBondContact O-N 3.15Å
852	G	68.6	Low	85.5	Confident	5 Å²	5	41 Å²	41	5%	0.052	21%	0.208	C	C	.	.	S	Bend	trans	-90.5	-129.2	-163.8	0	0	0	0	0	116.4	K447	K447-G852 PolarHBondContact NZ-O 2.98Å
853	R	61.1	Low	85.4	Confident	140 Å²	140	47.9 Å²	47.9	53%	0.528	24%	0.235	S	C	.	.	S	Bend	trans	-77.6	-53.4	-168.8	179.5	-167.2	-177.9	149.8	15.9	114.4	Y539 D543 G855	Y539-R853 HydrophobicContact CD1-CB 4.39Å; Y539-R853 HydrophobicContact CD2-CB 3.71Å; Y539-R853 HydrophobicContact CE1-CB 4.48Å; Y539-R853 HydrophobicContact CE2-CB 3.77Å; Y539-R853 HydrophobicContact CG-CB 4.02Å; Y539-R853 VanDerWaalsContact O-CB 3.28Å; Y539-R853 WeakPolarHBondContact O-CB 3.29Å; Y539-R853 VanDerWaalsContact O-CD 3.29Å; Y539-R853 WeakPolarHBondContact O-CD 3.27Å; Y539-R853 PolarHBondContact OH-N 2.93Å; D543-R853 IonicContact OD1-NH1 2.79Å; D543-R853 IonicContact OD2-CZ 3.97Å; D543-R853 IonicContact OD2-NH1 3.71Å; D543-R853 PolarHBondContact OD2-NH1 2.86Å; D543-R853 IonicContact OD2-NH2 3.77Å; D543-R853 PolarHBondContact OD2-NH2 2.94Å; R853-G855 PolarHBondContact O-N 3.36Å
854	G	67.2	Low	85.7	Confident	22 Å²	22	43.5 Å²	43.5	23%	0.227	22%	0.215	C	C	.	.	S	Bend	trans	-65.8	-25.6	172.5	0	0	0	0	0	111.1	Y539 I856 I857 D858	Y539-G854 VanDerWaalsContact CZ-N 3.29Å; Y539-G854 PolarHBondContact OH-N 3.13Å; G854-I856 PolarHBondContact O-N 3.38Å; G854-I857 VanDerWaalsContact O-CB 3.26Å; G854-I857 WeakPolarHBondContact O-CB 3.37Å; G854-I857 WeakPolarHBondContact O-CG1 3.48Å; G854-I857 PolarHBondContact O-N 2.95Å; G854-I857 VanDerWaalsContact O-N 3.12Å; G854-D858 WeakPolarHBondContact CA-OD1 3.26Å
855	G	80	Confident	86	Confident	11 Å²	11	41.2 Å²	41.2	11%	0.113	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-135.4	170	0	0	0	0	0	110.5	Y539 G850 R853 I857 D858	Y539-G855 PolarHBondContact OH-N 2.73Å; Y539-G855 VanDerWaalsContact OH-N 3.1Å; G850-G855 WeakPolarHBondContact CA-O 3.48Å; G850-G855 CarbonylContact O-C 3.59Å; G850-G855 WeakPolarHBondContact O-CA 3.46Å; R853-G855 PolarHBondContact O-N 3.36Å; G855-I857 PolarHBondContact O-N 2.69Å; G855-I857 VanDerWaalsContact O-N 3.09Å; G855-D858 PolarHBondContact O-N 2.63Å; G855-D858 VanDerWaalsContact O-N 3.13Å
856	I	88.1	Confident	86	Confident	18 Å²	18	47.4 Å²	47.4	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-21.6	178.3	-163	163.3	0	0	0	114.1	L714 F717 T718 Y786 G854 D858 I859 K860	L714-I856 HydrophobicContact CD2-CD1 3.84Å; L714-I856 HydrophobicContact CD2-CG1 3.66Å; L714-I856 WeakPolarHBondContact O-CD1 3.28Å; F717-I856 HydrophobicContact CB-CD1 3.59Å; T718-I856 HydrophobicContact CG2-CG2 4.27Å; Y786-I856 HydrophobicContact CE1-CB 4.35Å; Y786-I856 HydrophobicContact CE1-CD1 4.19Å; Y786-I856 HydrophobicContact CE1-CG1 4.24Å; G854-I856 PolarHBondContact O-N 3.38Å; I856-D858 VanDerWaalsContact C-N 3.28Å; I856-D858 PolarHBondContact O-N 3.22Å; I856-I859 HydrophobicContact CG1-CD1 4.33Å; I856-I859 WeakPolarHBondContact O-CB 3.41Å; I856-I859 PolarHBondContact O-N 3.08Å; I856-K860 PolarHBondContact O-N 3.21Å
857	I	85.4	Confident	86.3	Confident	91 Å²	91	51 Å²	51	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-36.3	178.1	-56.4	174.1	0	0	0	110.5	G854 G855 I859 K860 Q861	G854-I857 VanDerWaalsContact O-CB 3.26Å; G854-I857 WeakPolarHBondContact O-CB 3.37Å; G854-I857 WeakPolarHBondContact O-CG1 3.48Å; G854-I857 PolarHBondContact O-N 2.95Å; G854-I857 VanDerWaalsContact O-N 3.12Å; G855-I857 PolarHBondContact O-N 2.69Å; G855-I857 VanDerWaalsContact O-N 3.09Å; I857-I859 PolarHBondContact O-N 3.5Å; I857-K860 CarbonylContact O-C 3.54Å; I857-K860 WeakPolarHBondContact O-CA 3.32Å; I857-K860 WeakPolarHBondContact O-CB 3.3Å; I857-K860 PolarHBondContact O-N 2.94Å; I857-Q861 HydrophobicContact CG2-CG 4.15Å; I857-Q861 WeakPolarHBondContact O-CG 3.5Å; I857-Q861 PolarHBondContact O-N 3.07Å
858	D	87.2	Confident	86.5	Confident	43 Å²	43	47.3 Å²	47.3	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-24.2	179.9	-62.7	2.3	0	0	0	112	Y539 L849 G854 G855 I856 N862	Y539-D858 VanDerWaalsContact CE2-OD2 3.31Å; Y539-D858 WeakPolarHBondContact CE2-OD2 3.22Å; Y539-D858 PolarHBondContact OH-OD2 3.29Å; L849-D858 HydrophobicContact CD1-CB 3.74Å; G854-D858 WeakPolarHBondContact CA-OD1 3.26Å; G855-D858 PolarHBondContact O-N 2.63Å; G855-D858 VanDerWaalsContact O-N 3.13Å; I856-D858 VanDerWaalsContact C-N 3.28Å; I856-D858 PolarHBondContact O-N 3.22Å; D858-N862 PolarHBondContact O-N 2.84Å
859	I	94.5	Very high	86.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-70.1	-47.3	168.7	-53.4	170.1	0	0	0	109.4	L714 Y786 L789 L836 L840 L849 I856 I857 Q861 N862 F865	L714-I859 HydrophobicContact CD1-CG2 3.87Å; L714-I859 HydrophobicContact CD2-CB 4.11Å; L714-I859 HydrophobicContact CD2-CD1 4.2Å; L714-I859 HydrophobicContact CD2-CG2 3.8Å; L714-I859 HydrophobicContact CG-CG2 4.49Å; Y786-I859 HydrophobicContact CD1-CD1 3.53Å; Y786-I859 HydrophobicContact CE1-CD1 3.9Å; Y786-I859 HydrophobicContact CG-CD1 3.95Å; L789-I859 HydrophobicContact CD2-CG2 4.28Å; L836-I859 HydrophobicContact CD1-CG2 4.2Å; L840-I859 HydrophobicContact CD2-CD1 3.8Å; L840-I859 HydrophobicContact CD2-CG1 4.06Å; L840-I859 HydrophobicContact CD2-CG2 4.36Å; L849-I859 HydrophobicContact CD2-CG1 4.23Å; L849-I859 HydrophobicContact CG-CG1 3.86Å; I856-I859 HydrophobicContact CG1-CD1 4.33Å; I856-I859 WeakPolarHBondContact O-CB 3.41Å; I856-I859 PolarHBondContact O-N 3.08Å; I857-I859 PolarHBondContact O-N 3.5Å; I859-Q861 VanDerWaalsContact C-N 3.27Å; I859-Q861 PolarHBondContact O-N 3.27Å; I859-N862 WeakPolarHBondContact O-CB 3.09Å; I859-N862 PolarHBondContact O-N 2.9Å; I859-N862 VanDerWaalsContact O-N 3.15Å; I859-F865 HydrophobicContact CG2-CE2 4.42Å; I859-F865 VanDerWaalsContact O-CD2 3.31Å; I859-F865 WeakPolarHBondContact O-CD2 3.39Å
860	K	91	Very high	86.2	Confident	35 Å²	35	52.7 Å²	52.7	15%	0.152	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-28.9	178.7	-60.7	-169.2	-176.3	179.3	0	113.6	L714 E715 T718 I856 I857 F865 W870	L714-K860 HydrophobicContact CD1-CG 4.49Å; E715-K860 IonicContact OE1-NZ 3.92Å; E715-K860 PolarHBondContact OE1-NZ 3.14Å; T718-K860 VanDerWaalsContact OG1-CE 3.28Å; T718-K860 WeakPolarHBondContact OG1-CE 3.46Å; T718-K860 PolarHBondContact OG1-NZ 2.95Å; I856-K860 PolarHBondContact O-N 3.21Å; I857-K860 CarbonylContact O-C 3.54Å; I857-K860 WeakPolarHBondContact O-CA 3.32Å; I857-K860 WeakPolarHBondContact O-CB 3.3Å; I857-K860 PolarHBondContact O-N 2.94Å; K860-F865 WeakPolarHBondContact O-CB 3.23Å; K860-W870 HydrophobicContact CB-CH2 4.07Å; K860-W870 HydrophobicContact CB-CZ2 3.63Å; K860-W870 HydrophobicContact CD-CD2 4.29Å; K860-W870 HydrophobicContact CD-CE3 3.97Å; K860-W870 HydrophobicContact CD-CH2 3.95Å; K860-W870 HydrophobicContact CD-CZ2 4.23Å; K860-W870 HydrophobicContact CD-CZ3 3.79Å; K860-W870 HydrophobicContact CG-CE3 4.5Å; K860-W870 HydrophobicContact CG-CH2 3.61Å; K860-W870 HydrophobicContact CG-CZ2 3.74Å; K860-W870 HydrophobicContact CG-CZ3 4Å
861	Q	87.9	Confident	86	Confident	149 Å²	149	57.9 Å²	57.9	70%	0.696	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.2	177.1	-68.5	-176.7	0.2	0	0	114	I857 I859	I857-Q861 HydrophobicContact CG2-CG 4.15Å; I857-Q861 WeakPolarHBondContact O-CG 3.5Å; I857-Q861 PolarHBondContact O-N 3.07Å; I859-Q861 VanDerWaalsContact C-N 3.27Å; I859-Q861 PolarHBondContact O-N 3.27Å
862	N	92.9	Very high	86.1	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.08	30%	0.3	C	S	.	.	S	Bend	trans	-60.1	145.5	177.1	-171.8	-65.7	0	0	0	111	L836 L849 D858 I859 Y864 F865	L836-N862 HydrophobicContact CD1-CB 4.19Å; L849-N862 HydrophobicContact CD2-CB 4.42Å; D858-N862 PolarHBondContact O-N 2.84Å; I859-N862 WeakPolarHBondContact O-CB 3.09Å; I859-N862 PolarHBondContact O-N 2.9Å; I859-N862 VanDerWaalsContact O-N 3.15Å; N862-Y864 PolarHBondContact O-N 3.39Å; N862-Y864 WeakPolarHBondContact OD1-CB 3.47Å; N862-Y864 PolarHBondContact OD1-N 2.95Å; N862-F865 HydrophobicContact CB-CD2 4.45Å; N862-F865 PolarHBondContact O-N 3.18Å
863	K	93.6	Very high	87.3	Confident	158 Å²	158	57.5 Å²	57.5	69%	0.687	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-50.5	-26.1	176.2	-68.8	-175.6	177.7	-179.9	0	113.8	T832 F865 Q866	T832-K863 HydrophobicContact CG2-CB 4.14Å; K863-F865 PolarHBondContact O-N 2.92Å; K863-Q866 VanDerWaalsContact O-CB 3.27Å; K863-Q866 WeakPolarHBondContact O-CB 3.14Å; K863-Q866 PolarHBondContact O-N 3.47Å; K863-Q866 VanDerWaalsContact O-N 3.17Å
864	Y	96.9	Very high	88.2	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.008	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.3	172.8	-170.5	-110.4	0	0	0	114.2	D703 R707 A833 L836 N862	D703-Y864 WeakPolarHBondContact OD1-CE2 3.42Å; D703-Y864 VanDerWaalsContact OD1-CZ 3.28Å; D703-Y864 PolarHBondContact OD1-OH 3.41Å; R707-Y864 HydrophobicContact CB-CE1 4.01Å; R707-Y864 HydrophobicContact CG-CE1 4.18Å; R707-Y864 PolarHBondContact NE-O 2.86Å; A833-Y864 HydrophobicContact CB-CD2 3.97Å; A833-Y864 HydrophobicContact CB-CE2 3.61Å; L836-Y864 HydrophobicContact CD2-CD1 3.51Å; L836-Y864 HydrophobicContact CD2-CE1 4.36Å; L836-Y864 HydrophobicContact CD2-CG 3.75Å; N862-Y864 PolarHBondContact O-N 3.39Å; N862-Y864 WeakPolarHBondContact OD1-CB 3.47Å; N862-Y864 PolarHBondContact OD1-N 2.95Å
865	F	93.8	Very high	89.1	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.026	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-100.1	13.1	177.4	-63.3	-79.7	0	0	0	113.2	R707 I710 A711 L714 L836 I859 K860 N862 K863 G867 F868 W870	R707-F865 HydrophobicContact CG-CD1 3.54Å; R707-F865 HydrophobicContact CG-CE1 3.64Å; I710-F865 HydrophobicContact CB-CZ 4.38Å; I710-F865 HydrophobicContact CG2-CE1 4.48Å; I710-F865 HydrophobicContact CG2-CZ 3.75Å; A711-F865 HydrophobicContact CB-CE1 4.34Å; L714-F865 HydrophobicContact CD1-CE1 4.34Å; L714-F865 HydrophobicContact CD1-CE2 3.92Å; L714-F865 HydrophobicContact CD1-CZ 3.64Å; L836-F865 HydrophobicContact CD2-CE2 3.85Å; L836-F865 HydrophobicContact CD2-CZ 4.46Å; I859-F865 HydrophobicContact CG2-CE2 4.42Å; I859-F865 VanDerWaalsContact O-CD2 3.31Å; I859-F865 WeakPolarHBondContact O-CD2 3.39Å; K860-F865 WeakPolarHBondContact O-CB 3.23Å; N862-F865 HydrophobicContact CB-CD2 4.45Å; N862-F865 PolarHBondContact O-N 3.18Å; K863-F865 PolarHBondContact O-N 2.92Å; F865-G867 PolarHBondContact O-N 3.48Å; F865-G867 VanDerWaalsContact O-N 3.16Å; F865-F868 HydrophobicContact CB-CB 4.25Å; F865-F868 HydrophobicContact CD1-CB 4.47Å; F865-F868 HydrophobicContact CD1-CG 4.41Å; F865-F868 VanDerWaalsContact O-CB 3.26Å; F865-F868 WeakPolarHBondContact O-CB 3.22Å; F865-F868 PolarHBondContact O-N 2.94Å; F865-W870 HydrophobicContact CB-CZ2 4.11Å; F865-W870 HydrophobicContact CD1-CH2 4.17Å; F865-W870 AromaticContact CD1-CZ2 3.59Å; F865-W870 HydrophobicContact CD1-CZ2 3.59Å; F865-W870 HydrophobicContact CD2-CZ2 4.36Å; F865-W870 HydrophobicContact CE1-CH2 4.21Å; F865-W870 HydrophobicContact CE1-CZ2 4.09Å; F865-W870 AromaticContact CG-CZ2 3.77Å; F865-W870 HydrophobicContact CG-CZ2 3.77Å
866	Q	91.5	Very high	89.6	Confident	161 Å²	161	65.5 Å²	65.5	75%	0.752	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.9	177.7	-176.4	173.9	-7.3	0	0	110.4	K863	K863-Q866 VanDerWaalsContact O-CB 3.27Å; K863-Q866 WeakPolarHBondContact O-CB 3.14Å; K863-Q866 PolarHBondContact O-N 3.47Å; K863-Q866 VanDerWaalsContact O-N 3.17Å
867	G	87.5	Confident	89.7	Confident	84 Å²	84	69.6 Å²	69.6	87%	0.866	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	6.1	-176.8	0	0	0	0	0	115.5	F865	F865-G867 PolarHBondContact O-N 3.48Å; F865-G867 VanDerWaalsContact O-N 3.16Å
868	F	91.6	Very high	90.1	Very high	31 Å²	31	67.5 Å²	67.5	14%	0.136	35%	0.349	C	S	.	.			trans	-75.3	130.5	176	-171.7	-93.2	0	0	0	112.1	R707 A711 F865 W870 L873 L878	R707-F868 HydrophobicContact CG-CD2 3.73Å; R707-F868 HydrophobicContact CG-CE2 4.13Å; R707-F868 HydrophobicContact CG-CG 4.43Å; A711-F868 HydrophobicContact CB-CD1 4.24Å; A711-F868 HydrophobicContact CB-CE1 3.39Å; A711-F868 HydrophobicContact CB-CE2 4.19Å; A711-F868 HydrophobicContact CB-CZ 3.36Å; F865-F868 HydrophobicContact CB-CB 4.25Å; F865-F868 HydrophobicContact CD1-CB 4.47Å; F865-F868 HydrophobicContact CD1-CG 4.41Å; F865-F868 VanDerWaalsContact O-CB 3.26Å; F865-F868 WeakPolarHBondContact O-CB 3.22Å; F865-F868 PolarHBondContact O-N 2.94Å; F868-W870 AromaticContact CD1-CD1 3.97Å; F868-W870 AromaticContact CD1-CD2 3.79Å; F868-W870 HydrophobicContact CD1-CD2 3.79Å; F868-W870 AromaticContact CD1-CE2 3.73Å; F868-W870 HydrophobicContact CD1-CE3 4.34Å; F868-W870 AromaticContact CD1-CG 3.95Å; F868-W870 HydrophobicContact CD1-CG 3.95Å; F868-W870 HydrophobicContact CD1-CZ2 4.22Å; F868-W870 AromaticContact CD1-NE1 3.87Å; F868-W870 HydrophobicContact CE1-CD2 4.14Å; F868-W870 HydrophobicContact CE1-CE3 4.25Å; F868-W870 PolarHBondContact O-N 3.37Å; F868-L873 HydrophobicContact CE1-CB 4.18Å; F868-L873 HydrophobicContact CE1-CD2 4.02Å; F868-L873 HydrophobicContact CZ-CB 4.5Å; F868-L873 HydrophobicContact CZ-CD1 4.42Å; F868-L873 HydrophobicContact CZ-CD2 4.29Å; F868-L878 HydrophobicContact CE1-CD2 4.34Å; F868-L878 HydrophobicContact CE2-CD2 4.05Å; F868-L878 HydrophobicContact CZ-CD2 3.71Å
869	D	91.9	Very high	90.3	Very high	75 Å²	75	69.5 Å²	69.5	40%	0.401	37%	0.371	S	S	.	.			trans	-82.5	81.3	-179.7	-176.4	14.1	0	0	0	112.3	I871 G872 L873 L878	D869-I871 PolarHBondContact O-N 3.31Å; D869-I871 PolarHBondContact OD1-N 2.91Å; D869-I871 VanDerWaalsContact OD1-N 3.15Å; D869-G872 PolarHBondContact O-N 2.9Å; D869-G872 PolarHBondContact OD1-N 3.48Å; D869-G872 VanDerWaalsContact OD2-CA 3.26Å; D869-G872 WeakPolarHBondContact OD2-CA 3.49Å; D869-G872 PolarHBondContact OD2-N 3.18Å; D869-L873 PolarHBondContact O-N 3.34Å; D869-L878 HydrophobicContact CB-CD1 4.48Å
870	W	87.3	Confident	90.3	Very high	52 Å²	52	69.8 Å²	69.8	20%	0.197	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-30.8	173.3	-67	98.6	0	0	0	113.2	A711 L714 K860 F865 F868 L873 H874	A711-W870 HydrophobicContact CB-CE3 4.42Å; A711-W870 HydrophobicContact CB-CH2 3.71Å; A711-W870 HydrophobicContact CB-CZ2 4.49Å; A711-W870 HydrophobicContact CB-CZ3 3.68Å; L714-W870 HydrophobicContact CB-CH2 4.13Å; L714-W870 HydrophobicContact CB-CZ3 4.26Å; L714-W870 HydrophobicContact CD1-CH2 3.83Å; K860-W870 HydrophobicContact CB-CH2 4.07Å; K860-W870 HydrophobicContact CB-CZ2 3.63Å; K860-W870 HydrophobicContact CD-CD2 4.29Å; K860-W870 HydrophobicContact CD-CE3 3.97Å; K860-W870 HydrophobicContact CD-CH2 3.95Å; K860-W870 HydrophobicContact CD-CZ2 4.23Å; K860-W870 HydrophobicContact CD-CZ3 3.79Å; K860-W870 HydrophobicContact CG-CE3 4.5Å; K860-W870 HydrophobicContact CG-CH2 3.61Å; K860-W870 HydrophobicContact CG-CZ2 3.74Å; K860-W870 HydrophobicContact CG-CZ3 4Å; F865-W870 HydrophobicContact CB-CZ2 4.11Å; F865-W870 HydrophobicContact CD1-CH2 4.17Å; F865-W870 AromaticContact CD1-CZ2 3.59Å; F865-W870 HydrophobicContact CD1-CZ2 3.59Å; F865-W870 HydrophobicContact CD2-CZ2 4.36Å; F865-W870 HydrophobicContact CE1-CH2 4.21Å; F865-W870 HydrophobicContact CE1-CZ2 4.09Å; F865-W870 AromaticContact CG-CZ2 3.77Å; F865-W870 HydrophobicContact CG-CZ2 3.77Å; F868-W870 AromaticContact CD1-CD1 3.97Å; F868-W870 AromaticContact CD1-CD2 3.79Å; F868-W870 HydrophobicContact CD1-CD2 3.79Å; F868-W870 AromaticContact CD1-CE2 3.73Å; F868-W870 HydrophobicContact CD1-CE3 4.34Å; F868-W870 AromaticContact CD1-CG 3.95Å; F868-W870 HydrophobicContact CD1-CG 3.95Å; F868-W870 HydrophobicContact CD1-CZ2 4.22Å; F868-W870 AromaticContact CD1-NE1 3.87Å; F868-W870 HydrophobicContact CE1-CD2 4.14Å; F868-W870 HydrophobicContact CE1-CE3 4.25Å; F868-W870 PolarHBondContact O-N 3.37Å; W870-L873 HydrophobicContact CE3-CD2 4.38Å; W870-L873 HydrophobicContact CZ3-CD2 4.47Å; W870-H874 WeakPolarHBondContact O-CB 3.31Å; W870-H874 PolarHBondContact O-N 3.03Å
871	I	84.6	Confident	90.4	Very high	110 Å²	110	70.9 Å²	70.9	56%	0.564	39%	0.385	S	S	*	.	H	α-helix	trans	-73.1	-46.1	-179.2	-65.9	168	0	0	0	109.6	D869 L873 H874 R875	D869-I871 PolarHBondContact O-N 3.31Å; D869-I871 PolarHBondContact OD1-N 2.91Å; D869-I871 VanDerWaalsContact OD1-N 3.15Å; I871-L873 VanDerWaalsContact C-N 3.34Å; I871-H874 PolarHBondContact O-N 3.34Å; I871-R875 WeakPolarHBondContact O-CB 3.31Å; I871-R875 WeakPolarHBondContact O-CG 3.44Å; I871-R875 PolarHBondContact O-N 3.41Å
872	G	86.3	Confident	90.5	Very high	2 Å²	2	64.4 Å²	64.4	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-35.1	175.2	0	0	0	0	0	112.9	D869 G876 T877 L878	D869-G872 PolarHBondContact O-N 2.9Å; D869-G872 PolarHBondContact OD1-N 3.48Å; D869-G872 VanDerWaalsContact OD2-CA 3.26Å; D869-G872 WeakPolarHBondContact OD2-CA 3.49Å; D869-G872 PolarHBondContact OD2-N 3.18Å; G872-G876 PolarHBondContact O-N 3.25Å; G872-G876 VanDerWaalsContact O-N 3.12Å; G872-T877 VanDerWaalsContact CA-OG1 3.28Å; G872-T877 WeakPolarHBondContact CA-OG1 3.25Å; G872-T877 PolarHBondContact O-N 3.06Å; G872-T877 PolarHBondContact O-OG1 3.49Å; G872-L878 PolarHBondContact O-N 3.09Å; G872-L878 VanDerWaalsContact O-N 3.07Å
873	L	92.1	Very high	90.3	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-54.6	170.4	-174.4	76	0	0	0	110.6	F665 F708 A711 E715 Y742 F868 D869 W870 I871 R875 G876 L878	F665-L873 HydrophobicContact CE1-CD1 4.33Å; F665-L873 HydrophobicContact CE1-CD2 4.3Å; F665-L873 HydrophobicContact CE1-CG 4.03Å; F665-L873 HydrophobicContact CZ-CD2 4.38Å; F665-L873 HydrophobicContact CZ-CG 4.07Å; F708-L873 HydrophobicContact CD2-CD1 4.13Å; F708-L873 HydrophobicContact CE2-CD1 3.62Å; F708-L873 HydrophobicContact CZ-CD1 3.96Å; A711-L873 HydrophobicContact CB-CD2 3.67Å; E715-L873 HydrophobicContact CG-CD2 3.96Å; Y742-L873 HydrophobicContact CD1-CD1 4.33Å; Y742-L873 HydrophobicContact CE1-CD1 3.67Å; Y742-L873 HydrophobicContact CE1-CG 4.34Å; Y742-L873 WeakPolarHBondContact CE1-O 3.37Å; F868-L873 HydrophobicContact CE1-CB 4.18Å; F868-L873 HydrophobicContact CE1-CD2 4.02Å; F868-L873 HydrophobicContact CZ-CB 4.5Å; F868-L873 HydrophobicContact CZ-CD1 4.42Å; F868-L873 HydrophobicContact CZ-CD2 4.29Å; D869-L873 PolarHBondContact O-N 3.34Å; W870-L873 HydrophobicContact CE3-CD2 4.38Å; W870-L873 HydrophobicContact CZ3-CD2 4.47Å; I871-L873 VanDerWaalsContact C-N 3.34Å; L873-R875 VanDerWaalsContact C-N 3.28Å; L873-R875 PolarHBondContact O-N 2.87Å; L873-G876 PolarHBondContact O-N 2.91Å; L873-G876 VanDerWaalsContact O-N 3.07Å; L873-L878 HydrophobicContact CB-CD2 4.17Å; L873-L878 HydrophobicContact CD1-CD2 4.27Å
874	H	81.7	Confident	89.8	Confident	118 Å²	118	62.7 Å²	62.7	55%	0.546	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-33.4	-177.7	-168.9	94.8	0	0	0	112.9	E715 W870 I871 G876	E715-H874 IonicContact OE2-ND1 2.89Å; E715-H874 PolarHBondContact OE2-ND1 2.96Å; W870-H874 WeakPolarHBondContact O-CB 3.31Å; W870-H874 PolarHBondContact O-N 3.03Å; I871-H874 PolarHBondContact O-N 3.34Å; H874-G876 VanDerWaalsContact C-N 3.34Å
875	R	85.6	Confident	88.8	Confident	190 Å²	190	66.9 Å²	66.9	72%	0.717	37%	0.372	S	S	*	.	H	α-helix	trans	-81	-7.5	176.3	-70.5	179	176	-172.7	-1.3	114.5	I871 L873 T877	I871-R875 WeakPolarHBondContact O-CB 3.31Å; I871-R875 WeakPolarHBondContact O-CG 3.44Å; I871-R875 PolarHBondContact O-N 3.41Å; L873-R875 VanDerWaalsContact C-N 3.28Å; L873-R875 PolarHBondContact O-N 2.87Å; R875-T877 VanDerWaalsContact C-N 3.28Å; R875-T877 HydrophobicContact CB-CG2 4.11Å; R875-T877 PolarHBondContact O-N 3.21Å
876	G	89.2	Confident	87.8	Confident	34 Å²	34	69.6 Å²	69.6	35%	0.351	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	21.4	-175.2	0	0	0	0	0	114.1	Y742 G872 L873 H874	Y742-G876 VanDerWaalsContact OH-CA 3.3Å; Y742-G876 WeakPolarHBondContact OH-CA 3.46Å; G872-G876 PolarHBondContact O-N 3.25Å; G872-G876 VanDerWaalsContact O-N 3.12Å; L873-G876 PolarHBondContact O-N 2.91Å; L873-G876 VanDerWaalsContact O-N 3.07Å; H874-G876 VanDerWaalsContact C-N 3.34Å
877	T	92.3	Very high	86.2	Confident	104 Å²	104	66 Å²	66	64%	0.638	37%	0.374	S	S	*	.			trans	-102.9	-12.9	-178.8	59.7	0	0	0	0	113.5	G872 R875	G872-T877 VanDerWaalsContact CA-OG1 3.28Å; G872-T877 WeakPolarHBondContact CA-OG1 3.25Å; G872-T877 PolarHBondContact O-N 3.06Å; G872-T877 PolarHBondContact O-OG1 3.49Å; R875-T877 VanDerWaalsContact C-N 3.28Å; R875-T877 HydrophobicContact CB-CG2 4.11Å; R875-T877 PolarHBondContact O-N 3.21Å
878	L	92	Very high	84.8	Confident	46 Å²	46	64.8 Å²	64.8	24%	0.241	35%	0.347	C	S	.	.	S	Bend	trans	-73.8	127.9	172.4	-175.8	62.1	0	0	0	109.4	F708 Y742 F868 D869 G872 L873 A880	F708-L878 HydrophobicContact CD2-CD2 3.92Å; F708-L878 HydrophobicContact CD2-CG 4.36Å; F708-L878 HydrophobicContact CE2-CD2 3.96Å; F708-L878 HydrophobicContact CE2-CG 4.12Å; Y742-L878 PolarHBondContact OH-N 3.49Å; Y742-L878 PolarHBondContact OH-O 3.46Å; F868-L878 HydrophobicContact CE1-CD2 4.34Å; F868-L878 HydrophobicContact CE2-CD2 4.05Å; F868-L878 HydrophobicContact CZ-CD2 3.71Å; D869-L878 HydrophobicContact CB-CD1 4.48Å; G872-L878 PolarHBondContact O-N 3.09Å; G872-L878 VanDerWaalsContact O-N 3.07Å; L873-L878 HydrophobicContact CB-CD2 4.17Å; L873-L878 HydrophobicContact CD1-CD2 4.27Å; L878-A880 PolarHBondContact O-N 2.98Å
879	A	91.8	Very high	82.5	Confident	85 Å²	85	68.2 Å²	68.2	70%	0.702	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-67	125.3	177.8	0	0	0	0	0	110.4
880	A	95	Very high	80.4	Confident	7 Å²	7	69.8 Å²	69.8	6%	0.058	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-71.7	133.8	175.2	0	0	0	0	0	110	F708 K740 Y742 L878 I882 Q883	F708-A880 HydrophobicContact CE1-CB 3.71Å; F708-A880 HydrophobicContact CE2-CB 4.23Å; F708-A880 HydrophobicContact CZ-CB 3.51Å; K740-A880 WeakPolarHBondContact O-CB 3.43Å; Y742-A880 HydrophobicContact CD2-CB 4.31Å; Y742-A880 HydrophobicContact CE2-CB 4.47Å; L878-A880 PolarHBondContact O-N 2.98Å; A880-I882 PolarHBondContact O-N 2.99Å; A880-Q883 PolarHBondContact O-NE2 2.96Å
881	P	93.8	Very high	78.2	Confident	59 Å²	59	74.9 Å²	74.9	38%	0.383	39%	0.393	S	S	.	.	S	Bend	trans	-71.2	-13.6	178.6	28.5	-33	0	0	0	112.8	M705 F708	M705-P881 HydrophobicContact CB-CB 4.45Å; M705-P881 HydrophobicContact CB-CG 4.31Å; M705-P881 HydrophobicContact CG-CG 4.35Å; F708-P881 HydrophobicContact CB-CG 3.76Å; F708-P881 HydrophobicContact CD1-CG 4.17Å; F708-P881 HydrophobicContact CG-CG 3.94Å
882	I	90	Very high	75.9	Confident	12 Å²	12	73 Å²	73	6%	0.062	39%	0.39	C	S	.	.			trans	-104.8	115.9	172.5	-32.1	-172	0	0	0	106.5	L691 V694 M705 V709 L737 G741 A880 P884	L691-I882 HydrophobicContact CD1-CD1 3.57Å; V694-I882 HydrophobicContact CG1-CG2 4.13Å; M705-I882 HydrophobicContact CE-CB 4.48Å; M705-I882 HydrophobicContact CE-CD1 3.4Å; M705-I882 HydrophobicContact CE-CG1 3.57Å; M705-I882 HydrophobicContact CE-CG2 4.31Å; M705-I882 HydrophobicContact CG-CD1 4.23Å; M705-I882 HydrophobicContact CG-CG1 4.1Å; V709-I882 HydrophobicContact CG2-CD1 4.33Å; L737-I882 HydrophobicContact CD1-CB 4.46Å; L737-I882 HydrophobicContact CD1-CD1 4.25Å; L737-I882 HydrophobicContact CD1-CG2 3.9Å; L737-I882 HydrophobicContact CD2-CD1 4.07Å; G741-I882 VanDerWaalsContact CA-O 3.28Å; G741-I882 WeakPolarHBondContact CA-O 3.43Å; A880-I882 PolarHBondContact O-N 2.99Å; I882-P884 WeakPolarHBondContact O-CD 3.35Å
883	Q	88.1	Confident	74	Confident	122 Å²	122	80.7 Å²	80.7	57%	0.57	42%	0.423	S	S	*	.			trans	-109.9	99.4	173.7	-70.9	-59	-43.8	0	0	108.6	K740 A880	K740-Q883 PolarHBondContact O-NE2 2.8Å; A880-Q883 PolarHBondContact O-NE2 2.96Å
884	P	83.5	Confident	71.9	Confident	16 Å²	16	87.8 Å²	87.8	10%	0.104	46%	0.46	C	S	.	.			trans	-72	135.2	-177.5	26.6	-30.7	0	0	0	111.1	D738 I882 I886 F905	D738-P884 WeakPolarHBondContact O-CG 3.49Å; I882-P884 WeakPolarHBondContact O-CD 3.35Å; P884-I886 PolarHBondContact O-N 3.31Å; P884-F905 HydrophobicContact CB-CE1 4.14Å; P884-F905 HydrophobicContact CB-CZ 4.46Å
885	I	75	Confident	69.5	Low	90 Å²	90	86.8 Å²	86.8	46%	0.462	46%	0.459	S	S	.	.			trans	-85.9	109.7	174.8	-61.4	172.6	0	0	0	107.7	V887 I906	I885-V887 HydrophobicContact CG2-CG2 4.14Å; I885-I906 HydrophobicContact CD1-CB 4.47Å; I885-I906 HydrophobicContact CD1-CD1 3.4Å; I885-I906 VanDerWaalsContact CD1-CD1 3.4Å; I885-I906 HydrophobicContact CD1-CG1 3.77Å
886	I	73.4	Confident	67.1	Low	62 Å²	62	82.7 Å²	82.7	32%	0.318	46%	0.457	S	S	.	.			trans	-102.6	104.2	-179	-65.5	170.5	0	0	0	108.9	L687 H739 P884 I888	L687-I886 HydrophobicContact CB-CD1 3.68Å; L687-I886 HydrophobicContact CB-CG1 4.23Å; L687-I886 HydrophobicContact CB-CG2 4.36Å; H739-I886 VanDerWaalsContact CA-CD1 3.47Å; H739-I886 HydrophobicContact CB-CD1 3.52Å; P884-I886 PolarHBondContact O-N 3.31Å; I886-I888 HydrophobicContact CG2-CD1 3.78Å; I886-I888 HydrophobicContact CG2-CG1 3.79Å
887	V	57.7	Low	64.1	Low	86 Å²	86	88.3 Å²	88.3	52%	0.521	47%	0.474	S	S	.	.			trans	-104.9	109.9	167	-170.3	0	0	0	0	107.5	I885 E889 L901	I885-V887 HydrophobicContact CG2-CG2 4.14Å; V887-E889 HydrophobicContact CG1-CG 4.25Å; V887-L901 HydrophobicContact CB-CD1 4.05Å; V887-L901 HydrophobicContact CG1-CD1 3.59Å
888	I	57.6	Low	61.1	Low	58 Å²	58	88.5 Å²	88.5	30%	0.297	47%	0.47	S	S	.	.			trans	-117.1	95.9	170.7	-60.5	170.7	0	0	0	106.6	L687 I886 F890	L687-I888 HydrophobicContact CD1-CD1 3.61Å; L687-I888 HydrophobicContact CD2-CD1 3.85Å; L687-I888 HydrophobicContact CG-CD1 4.27Å; I886-I888 HydrophobicContact CG2-CD1 3.78Å; I886-I888 HydrophobicContact CG2-CG1 3.79Å; I888-F890 HydrophobicContact CG2-CD2 4.36Å; I888-F890 HydrophobicContact CG2-CE2 4.17Å; I888-F890 PolarHBondContact O-N 3.11Å
889	E	44.8	Very low	58.2	Low	103 Å²	103	95.4 Å²	95.4	48%	0.481	50%	0.495	S	S	.	.			trans	-75.2	120.8	165.5	-66.1	-167.1	143.9	0	0	108.5	V887 L901	V887-E889 HydrophobicContact CG1-CG 4.25Å; E889-L901 HydrophobicContact CG-CD1 4.4Å
890	F	45.9	Very low	55.1	Low	109 Å²	109	99.1 Å²	99.1	48%	0.478	50%	0.502	S	S	.	.			trans	-81.7	113.1	166	-73.9	-92.8	0	0	0	107.5	I608 I888 S892	I608-F890 HydrophobicContact CD1-CE1 4.12Å; I888-F890 HydrophobicContact CG2-CD2 4.36Å; I888-F890 HydrophobicContact CG2-CE2 4.17Å; I888-F890 PolarHBondContact O-N 3.11Å; F890-S892 PolarHBondContact O-N 3.07Å
891	E	42.4	Very low	52.1	Low	159 Å²	159	103.2 Å²	103.2	74%	0.743	52%	0.522	S	S	*	.			trans	-54.9	109.2	164.2	-78.5	-172.4	140.9	0	0	108.8
892	S	35.2	Very low	49.1	Very low	69 Å²	69	108.2 Å²	108.2	48%	0.483	54%	0.541	S	S	.	.			trans	-70.6	138.7	158.4	80.8	0	0	0	0	107	F890 D894 N895	F890-S892 PolarHBondContact O-N 3.07Å; S892-D894 PolarHBondContact O-N 3.25Å; S892-N895 PolarHBondContact O-N 3.16Å
893	K	46.2	Very low	46.4	Very low	165 Å²	165	115.2 Å²	115.2	72%	0.717	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	0.8	-178.9	-75	178.9	178.5	164.7	0	113.4	E606	E606-K893 WeakPolarHBondContact OE1-CE 3.3Å; E606-K893 IonicContact OE1-NZ 2.98Å; E606-K893 PolarHBondContact OE1-NZ 3.04Å
894	D	47.9	Very low	43.4	Very low	149 Å²	149	116.3 Å²	116.3	80%	0.797	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-3.1	-173.5	-54.3	-46	0	0	0	113.5	S892	S892-D894 PolarHBondContact O-N 3.25Å
895	N	32	Very low	40.9	Very low	97 Å²	97	118 Å²	118	52%	0.519	58%	0.582	S	S	.	*			trans	-152.2	97.8	173.8	-155.6	-5.3	0	0	0	114.3	S892 H897	S892-N895 PolarHBondContact O-N 3.16Å; N895-H897 PolarHBondContact O-N 3.47Å
896	P	34.8	Very low	38.9	Very low	104 Å²	104	122.8 Å²	122.8	68%	0.675	61%	0.607	S	S	*	*			trans	-80.9	31.9	-175.3	35.7	-37.9	0	0	0	114.1
897	H	27.6	Very low	37.1	Very low	152 Å²	152	125.9 Å²	125.9	70%	0.704	62%	0.621	S	S	*	*			trans	-136.3	48.7	-171.2	-74.5	-51.5	0	0	0	114.1	N895	N895-H897 PolarHBondContact O-N 3.47Å
898	L	27.9	Very low	36.1	Very low	108 Å²	108	127.9 Å²	127.9	57%	0.565	63%	0.627	S	S	*	*	S	Bend	trans	-139.7	113	160.2	-107.1	105.2	0	0	0	112.5
899	Y	31.4	Very low	34.9	Very low	192 Å²	192	131.8 Å²	131.8	75%	0.753	65%	0.645	S	S	*	*			trans	37.7	127	155.4	-58	-79.3	0	0	0	123.4	L901	Y899-L901 PolarHBondContact O-N 3.35Å
900	L	26.5	Very low	34.3	Very low	163 Å²	163	133.5 Å²	133.5	85%	0.853	66%	0.655	S	S	*	*			trans	-59.5	120.1	145.2	-85.2	82.3	0	0	0	109.1	E902	L900-E902 PolarHBondContact O-N 3Å
901	L	32.9	Very low	33.6	Very low	93 Å²	93	135.1 Å²	135.1	49%	0.487	67%	0.666	S	S	.	*			trans	-83.5	97.9	156.7	-89.5	159.7	0	0	0	109	V887 E889 Y899	V887-L901 HydrophobicContact CB-CD1 4.05Å; V887-L901 HydrophobicContact CG1-CD1 3.59Å; E889-L901 HydrophobicContact CG-CD1 4.4Å; Y899-L901 PolarHBondContact O-N 3.35Å
902	E	30.7	Very low	33	Very low	163 Å²	163	133.5 Å²	133.5	76%	0.762	66%	0.66	S	S	*	*			trans	-61.2	152.9	153.3	-73.5	-167.6	128.1	0	0	109.7	L900 L904	L900-E902 PolarHBondContact O-N 3Å; E902-L904 VanDerWaalsContact C-N 3.32Å; E902-L904 PolarHBondContact O-N 3.03Å
903	Y	33.7	Very low	32.8	Very low	159 Å²	159	138.1 Å²	138.1	62%	0.624	67%	0.673	S	S	*	*			trans	-65.9	82.5	-176.4	-82.9	-106.1	0	0	0	112.4	F905	Y903-F905 VanDerWaalsContact C-N 3.27Å; Y903-F905 HydrophobicContact CD1-CD2 4.02Å; Y903-F905 AromaticContact CD1-CE2 3.91Å; Y903-F905 HydrophobicContact CD1-CE2 3.91Å; Y903-F905 HydrophobicContact CE1-CE2 4.43Å; Y903-F905 PolarHBondContact O-N 3.4Å
904	L	24.1	Very low	31.8	Very low	146 Å²	146	136 Å²	136	76%	0.764	67%	0.67	S	S	*	*			trans	-75.8	77.4	166.1	-83.4	164.2	0	0	0	110.5	E902	E902-L904 VanDerWaalsContact C-N 3.32Å; E902-L904 PolarHBondContact O-N 3.03Å
905	F	30.7	Very low	30.4	Very low	51 Å²	51	134.9 Å²	134.9	22%	0.224	66%	0.659	C	S	.	*			trans	-88.9	122.9	159.6	-90.1	-93.9	0	0	0	109.4	G688 P884 Y903	G688-F905 WeakPolarHBondContact O-CZ 3.41Å; P884-F905 HydrophobicContact CB-CE1 4.14Å; P884-F905 HydrophobicContact CB-CZ 4.46Å; Y903-F905 VanDerWaalsContact C-N 3.27Å; Y903-F905 HydrophobicContact CD1-CD2 4.02Å; Y903-F905 AromaticContact CD1-CE2 3.91Å; Y903-F905 HydrophobicContact CD1-CE2 3.91Å; Y903-F905 HydrophobicContact CE1-CE2 4.43Å; Y903-F905 PolarHBondContact O-N 3.4Å
906	I	32.8	Very low	30.3	Very low	191 Å²	191	138.4 Å²	138.4	98%	0.979	67%	0.672	S	S	*	*			trans	-68.7	0	174.2	-56.2	-176.4	0	0	0	111.2	I885	I885-I906 HydrophobicContact CD1-CB 4.47Å; I885-I906 HydrophobicContact CD1-CD1 3.4Å; I885-I906 VanDerWaalsContact CD1-CD1 3.4Å; I885-I906 HydrophobicContact CD1-CG1 3.77Å

Retrieved 906 of 906 residues in 302.9 ms (Link to these results)

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