I0FU27_MACMU Loading...

Sortilin

AlphaFold DB , UniProt , Accession I0FU27, Species MACMU (Macaca mulatta, Rhesus macaque), Gene SORT1, Length 831 aa.

						>I0FU27_MACMU|I0FU27|SORT1
MERPRGAADGLSRWPHGLGLLLLLQLLPPVTLGQDRLDAPPPPAAPLLRWSGPIGVSWGLRAAAAGGAFPRGGRWRRSAPGEDEECGRVRDFVAKLANNTHQHVFDDLRGSVSLSWVGDSTGVILVLTTFHVPLVIMTFGQSKLYRSEDYGKNFKDITNLINNTFIRTEFGMAIGPENSGKVVLTAEVSGGSRGGRIFRSSDFAKNFVQTDLPFHPLTQMMYSPQNSDYLLALSTENGLWVSKNFGGKWEEIHKAVCLAKWGSDNTIFFTTYANGSCKADLGALELWRTLDLGKSFKTIGVKIYSFGLGGRFLFASVMADKDTTRRIHVSTDQGDTWSMAQLPSVGQEQFYSILAANDDMVFMHVDEPGDTGFGTIFTSDDRGIVYSKSLDRHLYTTTGGETDFTNVTSLRGVYITSVLSEDNSIQTMITFDQGGRWKHLRKPENSECDATAKNKNECSLHIHASYSISQKLNVPMAPLSEPNAVGIVIAHGSVGDAISVMVPDVYISDDGGYSWTKMLEGPHYYTILDSGGIIVAIEHSSRPINVIKFSTDEGQCWQTYTFTRDPIYFTGLASEPGARSMNISIWGFTESFLTSQWVSYTIDFKDILERNCEEKDYTIWLAHSTDPEDYEDGCILGYKEQFLRLRKSSVCQNGRDYVVTKQPSICLCSLEDFLCDFGYYRPENDSKCVEQPELKGHDLEFCLYGREEHLTTNGYRKIPGDKCQGGVNPVREVKDLKKKCTSNFLSPEKQNSKSNSVPIILAIVGLMLVTVIAGVLIVKKYVCGGRFLVHRYSVLQQHAEANGMDGVDALDTASHTNKSGYHDDSDEDLLE
					

Structure Viewer

Loading PAE data...

(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	32	Very low	33.5	Very low	224 Å²	224	150.9 Å²	150.9	100%	1.103	84%	0.842	S	S	*	*				0	139	0	-56.4	94.1	164.6	0	0	108.3
2	E	34.3	Very low	33.1	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	83%	0.83	S	S	*	*			cis	-154.5	156.4	-19.3	-132.6	159.3	-162.2	0	0	109.9
3	R	34.3	Very low	32.8	Very low	237 Å²	237	153.4 Å²	153.4	89%	0.894	83%	0.834	S	S	*	*			trans	-120.5	152.4	174.6	-108	-176.3	-179.3	-174.8	1.1	105.9
4	P	52.2	Low	32.4	Very low	101 Å²	101	158 Å²	158	66%	0.656	83%	0.833	S	S	*	*				-155	177.2	62.2	41.3	-20.5	0	0	0	118.1
5	R	33.6	Very low	33.1	Very low	245 Å²	245	155.3 Å²	155.3	93%	0.925	83%	0.829	S	S	*	*			trans	28.8	139.6	138.6	-57.6	161.1	-171.6	164.7	0.3	118.4
6	G	30.7	Very low	32.9	Very low	75 Å²	75	155.9 Å²	155.9	77%	0.773	83%	0.825	S	S	*	*			cis	141.7	177.3	23.8	0	0	0	0	0	107.8
7	A	31.3	Very low	32.6	Very low	96 Å²	96	151.1 Å²	151.1	79%	0.793	82%	0.821	S	S	*	*			cis	-165.2	171.9	-5	0	0	0	0	0	108.6
8	A	31.8	Very low	32.4	Very low	88 Å²	88	152.8 Å²	152.8	73%	0.727	83%	0.829	S	S	*	*			trans	61.4	150.5	155.2	0	0	0	0	0	118.6
9	D	31	Very low	32.2	Very low	168 Å²	168	148.7 Å²	148.7	90%	0.898	83%	0.825	S	S	*	*			cis	-159.3	-175.3	-6.7	-115	-30.4	0	0	0	108.4
10	G	28.3	Very low	32.1	Very low	72 Å²	72	149 Å²	149	74%	0.742	82%	0.824	S	S	*	*			trans	115.3	70.6	147.5	0	0	0	0	0	119.4
11	L	29.4	Very low	31.9	Very low	166 Å²	166	149 Å²	149	87%	0.869	82%	0.822	S	S	*	*			trans	-7.1	131.8	144.8	-86.9	152.1	0	0	0	120.3
12	S	28.2	Very low	31.7	Very low	100 Å²	100	145.3 Å²	145.3	70%	0.699	81%	0.806	S	S	*	*				106.8	139.4	122.3	78.7	0	0	0	0	122.8
13	R	29.2	Very low	31.5	Very low	234 Å²	234	143.3 Å²	143.3	88%	0.883	80%	0.801	S	S	*	*			trans	57.5	106.7	146.4	-72.5	178.6	174.5	-178.6	-2.4	121.2
14	W	27.4	Very low	31.1	Very low	218 Å²	218	138.4 Å²	138.4	83%	0.826	79%	0.792	S	S	*	*				-2.6	140	124.5	-76.1	45.5	0	0	0	116.5	H16	W14-H16 AromaticContact CZ3-CE1 3.98Å
15	P	42.6	Very low	30	Very low	117 Å²	117	141.5 Å²	141.5	76%	0.76	80%	0.797	S	S	*	*				-145.3	172.9	83.7	40.3	-24.5	0	0	0	118.2
16	H	30.4	Very low	29.7	Very low	165 Å²	165	137.9 Å²	137.9	76%	0.764	80%	0.795	S	S	*	*			trans	-42	161.2	171	-42.8	-95.3	0	0	0	117.8	W14	W14-H16 AromaticContact CZ3-CE1 3.98Å
17	G	27.6	Very low	29.6	Very low	74 Å²	74	142.1 Å²	142.1	76%	0.763	80%	0.8	S	S	*	*			trans	165.1	117.9	150.1	0	0	0	0	0	116.4
18	L	29	Very low	29.6	Very low	183 Å²	183	143 Å²	143	96%	0.958	80%	0.797	S	S	*	*			trans	-65.3	149.6	-176.1	-71.4	79	0	0	0	116.8
19	G	28.5	Very low	29.6	Very low	74 Å²	74	144.4 Å²	144.4	76%	0.763	80%	0.799	S	S	*	*			trans	87.8	159.9	144.2	0	0	0	0	0	118.1
20	L	30.1	Very low	29.5	Very low	154 Å²	154	143.5 Å²	143.5	81%	0.806	80%	0.799	S	S	*	*			cis	-169	144.2	-16.9	-170.3	72.7	0	0	0	107.8
21	L	28.7	Very low	29.5	Very low	149 Å²	149	146.2 Å²	146.2	78%	0.78	80%	0.801	S	S	*	*			trans	66.3	147.8	-177.9	-55.9	119.8	0	0	0	113.9
22	L	27.9	Very low	29.5	Very low	147 Å²	147	146 Å²	146	77%	0.77	80%	0.8	S	S	*	*			cis	-154.7	174.2	43.8	-114.1	108.6	0	0	0	113.3
23	L	28.7	Very low	29.4	Very low	146 Å²	146	144.8 Å²	144.8	76%	0.764	80%	0.804	S	S	*	*			trans	67.2	110.9	165.8	-63.9	150.8	0	0	0	116.2
24	L	26.2	Very low	29.4	Very low	135 Å²	135	141.5 Å²	141.5	71%	0.707	80%	0.798	S	S	*	*				79.8	114.4	62.7	-95.9	80	0	0	0	116.5
25	Q	29.1	Very low	29.4	Very low	166 Å²	166	139 Å²	139	78%	0.776	80%	0.801	S	S	*	*			trans	56.2	122.1	140.5	-65	177.8	-9.9	0	0	120.4
26	L	28.5	Very low	28.7	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	81%	0.806	S	S	*	*				-168.8	118.1	101	-99.4	167.4	0	0	0	111.7
27	L	27.4	Very low	28.7	Very low	165 Å²	165	144.4 Å²	144.4	86%	0.864	81%	0.811	S	S	*	*			trans	-145.7	136	162.3	-87.3	176.7	0	0	0	109
28	P	31	Very low	28.7	Very low	115 Å²	115	148.5 Å²	148.5	75%	0.747	82%	0.816	S	S	*	*			trans	-81.1	161.7	172.7	34	-34.1	0	0	0	111.9
29	P	33.3	Very low	28.7	Very low	117 Å²	117	144.2 Å²	144.2	76%	0.76	81%	0.807	S	S	*	*			trans	-93.9	161.8	-166	36.7	-36.7	0	0	0	114.8
30	V	28.5	Very low	28.9	Very low	148 Å²	148	146.5 Å²	146.5	90%	0.897	81%	0.808	S	S	*	*			trans	-121.6	134	152.1	177.6	0	0	0	0	107.6
31	T	28.6	Very low	29.2	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.8	132.6	-173.9	47.6	0	0	0	0	112.4
32	L	28.1	Very low	29.3	Very low	161 Å²	161	143.5 Å²	143.5	84%	0.843	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86.2	130.1	165.9	-140.9	82.9	0	0	0	109.5
33	G	26.1	Very low	29.4	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-81.5	141.7	161.6	0	0	0	0	0	109.6
34	Q	29.3	Very low	29.4	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	81%	0.813	S	S	*	*			trans	-142.9	123.3	-171.3	174.2	179.6	-22.1	0	0	109.9
35	D	27.6	Very low	29.5	Very low	167 Å²	167	138.6 Å²	138.6	89%	0.893	82%	0.817	S	S	*	*			trans	-138.6	131.6	160	-100.6	-47.9	0	0	0	109.3
36	R	28.7	Very low	29.5	Very low	229 Å²	229	136.6 Å²	136.6	86%	0.864	82%	0.819	S	S	*	*			trans	-160.4	124.2	179.5	-153.3	-177.3	-163.3	-169	5	107.4
37	L	29.1	Very low	29.4	Very low	166 Å²	166	136.9 Å²	136.9	87%	0.869	82%	0.82	S	S	*	*			trans	-116.3	154.4	174.4	-81	165.8	0	0	0	110.3
38	D	28.7	Very low	29.4	Very low	160 Å²	160	136.9 Å²	136.9	86%	0.856	82%	0.82	S	S	*	*			trans	-83.9	157.5	-157.5	-60.6	-77.6	0	0	0	115.6
39	A	27.6	Very low	29.1	Very low	93 Å²	93	143 Å²	143	77%	0.769	83%	0.828	S	S	*	*			trans	-134.4	129.7	163.4	0	0	0	0	0	109.5
40	P	33.8	Very low	28.6	Very low	121 Å²	121	149.2 Å²	149.2	79%	0.786	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.6	160	-174.9	32.5	-35.7	0	0	0	113.7
41	P	35.5	Very low	28.5	Very low	118 Å²	118	147.8 Å²	147.8	77%	0.766	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-79.6	157.4	-176	32.6	-36.6	0	0	0	114.2
42	P	31.5	Very low	28.3	Very low	122 Å²	122	145.1 Å²	145.1	79%	0.792	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-78.4	153.4	-177.3	32.1	-36.4	0	0	0	114
43	P	30.9	Very low	28.8	Very low	129 Å²	129	143.6 Å²	143.6	84%	0.838	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-79.5	157.7	176.4	33.3	-35.7	0	0	0	113.3
44	A	27.6	Very low	28.9	Very low	100 Å²	100	148.4 Å²	148.4	83%	0.826	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-86.8	154.6	-179.4	0	0	0	0	0	113.7
45	A	28.2	Very low	28.6	Very low	96 Å²	96	143.9 Å²	143.9	79%	0.793	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-77.1	143.4	-177.9	0	0	0	0	0	113.8
46	P	29.6	Very low	28.5	Very low	125 Å²	125	142 Å²	142	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.7	153.1	174	33.4	-34.6	0	0	0	112.9
47	L	26.4	Very low	28.3	Very low	173 Å²	173	136.4 Å²	136.4	91%	0.906	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-80	144.9	-178.7	-70.6	159.9	0	0	0	112.8
48	L	26.4	Very low	28.2	Very low	166 Å²	166	140.2 Å²	140.2	87%	0.869	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-62.4	144	166.4	-76.2	88.3	0	0	0	110.9
49	R	24.8	Very low	28	Very low	243 Å²	243	135.7 Å²	135.7	92%	0.917	82%	0.82	S	S	*	*			trans	-131.3	122.9	164.9	-154.5	176.8	-165.1	-165	3.7	110.3
50	W	24.2	Very low	27.8	Very low	247 Å²	247	139.3 Å²	139.3	94%	0.936	83%	0.825	S	S	*	*			trans	-69.3	137.5	177.8	-89	30.5	0	0	0	112.4
51	S	26	Very low	27.5	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	83%	0.834	S	S	*	*			trans	-163.7	110.5	150.6	58.8	0	0	0	0	112.3
52	G	24.3	Very low	27	Very low	74 Å²	74	145 Å²	145	76%	0.763	84%	0.838	S	S	*	*			trans	-121	-161.5	146.1	0	0	0	0	0	108.2
53	P	38.3	Very low	26.8	Very low	129 Å²	129	144.2 Å²	144.2	84%	0.838	84%	0.841	S	S	*	*			cis	-131.8	145.9	-19.8	37.2	-22.8	0	0	0	112.4
54	I	27.4	Very low	26.5	Very low	175 Å²	175	142.9 Å²	142.9	90%	0.897	84%	0.841	S	S	*	*			trans	-141.1	133.8	162.4	-54.5	-179.8	0	0	0	108.4
55	G	23.7	Very low	26.5	Very low	71 Å²	71	143 Å²	143	73%	0.732	84%	0.842	S	S	*	*			trans	-132.9	160.1	173	0	0	0	0	0	111.5
56	V	26.7	Very low	26.3	Very low	128 Å²	128	142.4 Å²	142.4	78%	0.776	85%	0.846	S	S	*	*			trans	-143	139.7	172.3	-172.5	0	0	0	0	108.6
57	S	23.9	Very low	26	Very low	110 Å²	110	140.4 Å²	140.4	77%	0.769	85%	0.847	S	S	*	*			trans	-117.2	129.1	178.4	54.5	0	0	0	0	112.6
58	W	26.3	Very low	26	Very low	247 Å²	247	136.5 Å²	136.5	94%	0.936	84%	0.84	S	S	*	*			trans	-151.7	151.5	161.5	-66.2	91.6	0	0	0	106.5
59	G	24.1	Very low	25.9	Very low	65 Å²	65	138.7 Å²	138.7	67%	0.67	84%	0.843	S	S	*	*			cis	161.6	119.1	-1.2	0	0	0	0	0	108.8
60	L	24.9	Very low	26.2	Very low	169 Å²	169	133 Å²	133	89%	0.885	84%	0.837	S	S	*	*			trans	-42.5	147.7	-165.4	-67.7	80.6	0	0	0	116.9
61	R	26.1	Very low	26.4	Very low	256 Å²	256	133.2 Å²	133.2	97%	0.966	84%	0.838	S	S	*	*			trans	-148.4	148.9	134.7	-109	171.1	-163.8	-152.8	1.8	111.3
62	A	26.5	Very low	26.5	Very low	102 Å²	102	130.8 Å²	130.8	84%	0.843	83%	0.832	S	S	*	*			trans	-134.6	148.8	-178.5	0	0	0	0	0	110.8
63	A	26.6	Very low	26.6	Very low	105 Å²	105	131.2 Å²	131.2	87%	0.868	84%	0.836	S	S	*	*			trans	-153.7	149.6	167.6	0	0	0	0	0	109.5
64	A	25.3	Very low	25.9	Very low	101 Å²	101	135.8 Å²	135.8	84%	0.835	84%	0.837	S	S	*	*			trans	-124.3	180	173.5	0	0	0	0	0	108.1
65	A	27.9	Very low	26.1	Very low	102 Å²	102	139.2 Å²	139.2	84%	0.843	84%	0.839	S	S	*	*			cis	-160.1	173.8	8.5	0	0	0	0	0	110.1
66	G	23.5	Very low	26.2	Very low	85 Å²	85	146.9 Å²	146.9	88%	0.876	85%	0.846	S	S	*	*			trans	121.4	126.9	145.8	0	0	0	0	0	117.6
67	G	23.7	Very low	26.3	Very low	82 Å²	82	151.3 Å²	151.3	85%	0.845	85%	0.848	S	S	*	*			trans	138.4	121.2	173.4	0	0	0	0	0	111.7
68	A	25	Very low	26.5	Very low	92 Å²	92	151.9 Å²	151.9	76%	0.76	85%	0.853	S	S	*	*			trans	-151.5	136.3	-175.7	0	0	0	0	0	113.1
69	F	23.9	Very low	26.5	Very low	211 Å²	211	144.5 Å²	144.5	93%	0.925	84%	0.844	S	S	*	*			trans	-150.8	175.2	165.4	-96.3	-59.5	0	0	0	109
70	P	31.4	Very low	27.2	Very low	123 Å²	123	148 Å²	148	80%	0.799	86%	0.855	S	S	*	*				-90	174.2	-128.2	36.7	-38.5	0	0	0	116.8
71	R	28.6	Very low	27.3	Very low	252 Å²	252	143.2 Å²	143.2	95%	0.951	85%	0.846	S	S	*	*			trans	-77.7	123.7	-172.3	-62.3	172.9	176.5	171.7	-2.3	113.3
72	G	28.2	Very low	27.6	Very low	68 Å²	68	138.7 Å²	138.7	70%	0.701	84%	0.836	S	S	*	*			trans	-81.3	166.1	148.3	0	0	0	0	0	111.8	R74	G72-R74 PolarHBondContact O-N 3.29Å
73	G	27.2	Very low	28.1	Very low	82 Å²	82	141.3 Å²	141.3	85%	0.845	84%	0.836	S	S	*	*			trans	-69.3	111.2	-176.7	0	0	0	0	0	113.6	W75	G73-W75 PolarHBondContact O-N 2.68Å
74	R	23.8	Very low	28.6	Very low	225 Å²	225	144.4 Å²	144.4	85%	0.849	83%	0.833	S	S	*	*			trans	-84.8	97.7	177.2	-174.9	-178.5	-177.3	-177.5	2.8	111.4	G72 R76	G72-R74 PolarHBondContact O-N 3.29Å; R74-R76 PolarHBondContact O-N 3.34Å
75	W	30.5	Very low	29.8	Very low	248 Å²	248	148.6 Å²	148.6	94%	0.939	84%	0.835	S	S	*	*			trans	-56.6	128.4	156.1	-71.2	94.5	0	0	0	109.3	G73	G73-W75 PolarHBondContact O-N 2.68Å
76	R	25.6	Very low	31.6	Very low	232 Å²	232	145.8 Å²	145.8	88%	0.875	81%	0.808	S	S	*	*			trans	-85.7	112.7	170	-79.8	-173.3	173.6	-159.2	0.8	108.6	R74	R74-R76 PolarHBondContact O-N 3.34Å
77	R	30.1	Very low	33.4	Very low	220 Å²	220	144.9 Å²	144.9	83%	0.83	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-94.9	151.4	145.9	-66.7	-170.3	-154.2	160.4	8.9	108.9
78	S	27.6	Very low	35.6	Very low	123 Å²	123	149 Å²	149	86%	0.86	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-72.1	165.5	175.9	-62.7	0	0	0	0	111.8
79	A	26.2	Very low	38.5	Very low	91 Å²	91	145.5 Å²	145.5	75%	0.752	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-76.3	157.2	168.7	0	0	0	0	0	110	G81	A79-G81 PolarHBondContact O-N 2.66Å
80	P	37.9	Very low	41.6	Very low	140 Å²	140	145.5 Å²	145.5	91%	0.909	75%	0.752	S	S	*	*	S	Bend	trans	-72.2	129	-171	28.4	-35.3	0	0	0	112.7
81	G	28.8	Very low	44.4	Very low	68 Å²	68	145.7 Å²	145.7	70%	0.701	75%	0.746	S	S	*	*			trans	149.8	72.1	169.7	0	0	0	0	0	114.6	A79	A79-G81 PolarHBondContact O-N 2.66Å
82	E	31.8	Very low	47.5	Very low	160 Å²	160	135.7 Å²	135.7	75%	0.748	71%	0.71	S	S	*	*			trans	-165.8	104.8	163	-111.1	152.5	-143.4	0	0	110	E84	E82-E84 PolarHBondContact O-N 2.73Å; E82-E84 VanDerWaalsContact O-N 3.12Å
83	D	36.7	Very low	50.8	Low	157 Å²	157	136.2 Å²	136.2	84%	0.84	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	16.2	170.8	-75.4	-56.3	0	0	0	112.6
84	E	37.7	Very low	54	Low	171 Å²	171	135.6 Å²	135.6	80%	0.799	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-18.1	-175.8	-62.4	-155.2	136.4	0	0	114	E82 C86	E82-E84 PolarHBondContact O-N 2.73Å; E82-E84 VanDerWaalsContact O-N 3.12Å; E84-C86 VanDerWaalsContact C-N 3.25Å; E84-C86 PolarHBondContact O-N 2.7Å
85	E	50.2	Low	57.4	Low	189 Å²	189	126.6 Å²	126.6	88%	0.883	65%	0.653	S	S	*	*			trans	-74.9	-12.9	-173.6	-158.9	165.6	-138.2	0	0	113.4	G87	E85-G87 PolarHBondContact O-N 2.75Å
86	C	66.3	Low	60.6	Low	42 Å²	42	114.8 Å²	114.8	28%	0.284	61%	0.609	S	S	.	*	S	Bend	trans	-79.4	101.6	-179.8	-175.1	0	0	0	0	112.5	E84 R88 C556	E84-C86 VanDerWaalsContact C-N 3.25Å; E84-C86 PolarHBondContact O-N 2.7Å; C86-R88 PolarHBondContact O-N 2.97Å; C86-C556 WeakPolarHBondContact CA-SG 3.36Å; C86-C556 WeakPolarHBondContact CB-SG 3.44Å; C86-C556 WeakPolarHBondContact SG-CB 3.47Å; C86-C556 CovalentContact SG-SG 2.04Å; C86-C556 PolarHBondContact SG-SG 2.75Å
87	G	60.4	Low	63.9	Low	66 Å²	66	106.5 Å²	106.5	68%	0.68	59%	0.59	S	S	*	*			trans	-70	74.9	-172.5	0	0	0	0	0	116	E85	E85-G87 PolarHBondContact O-N 2.75Å
88	R	69.9	Low	67	Low	169 Å²	169	102.3 Å²	102.3	64%	0.638	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-61.4	133.6	-178.2	-63.3	175.2	-166.8	-177.4	4.9	113.6	C86 R90 Q558	C86-R88 PolarHBondContact O-N 2.97Å; R88-R90 PolarHBondContact O-N 3.29Å; R88-Q558 HydrophobicContact CG-CG 4.46Å
89	V	85.6	Confident	70.3	Confident	18 Å²	18	96.6 Å²	96.6	11%	0.109	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-59.6	126.8	167.3	-177	0	0	0	0	109.3	F92 F549 T551 Q558 I607 V650	V89-F92 HydrophobicContact CB-CB 4.38Å; V89-F92 HydrophobicContact CG1-CB 4.23Å; V89-F92 WeakPolarHBondContact O-CD1 3.4Å; V89-F549 HydrophobicContact CG2-CE2 4.5Å; V89-T551 HydrophobicContact CG2-CG2 4.37Å; V89-Q558 VanDerWaalsContact CB-OE1 3.28Å; V89-Q558 PolarHBondContact O-NE2 3.35Å; V89-Q558 VanDerWaalsContact O-NE2 3.15Å; V89-I607 HydrophobicContact CG1-CD1 4.07Å; V89-I607 HydrophobicContact CG1-CG2 4.34Å; V89-I607 HydrophobicContact CG2-CG2 4.39Å; V89-V650 HydrophobicContact CG2-CG1 4.4Å
90	R	88.8	Confident	73.7	Confident	211 Å²	211	93.7 Å²	93.7	80%	0.796	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	144.6	-178.3	-62.2	-176.9	-177.9	-176	0.2	111.4	R88 F92 K95	R88-R90 PolarHBondContact O-N 3.29Å; R90-F92 PolarHBondContact O-N 3.09Å; R90-K95 WeakPolarHBondContact O-CE 3.35Å
91	D	91.3	Very high	76.6	Confident	128 Å²	128	89.7 Å²	89.7	68%	0.684	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	22.1	175.9	-52.1	-42.5	0	0	0	115.2	V93 A94 K95	D91-V93 PolarHBondContact O-N 2.95Å; D91-V93 VanDerWaalsContact O-N 3.09Å; D91-A94 PolarHBondContact O-N 3.47Å; D91-K95 PolarHBondContact O-N 3.23Å
92	F	94	Very high	79.9	Confident	41 Å²	41	91.4 Å²	91.4	18%	0.18	48%	0.475	C	S	.	.	H	α-helix	trans	-53.8	-33.3	-175.6	73.5	-85	0	0	0	113.6	V89 R90 A94 K95 L96 F549 T559 I607	V89-F92 HydrophobicContact CB-CB 4.38Å; V89-F92 HydrophobicContact CG1-CB 4.23Å; V89-F92 WeakPolarHBondContact O-CD1 3.4Å; R90-F92 PolarHBondContact O-N 3.09Å; F92-A94 PolarHBondContact O-N 2.88Å; F92-K95 PolarHBondContact O-N 3.15Å; F92-L96 HydrophobicContact CD2-CD1 4.38Å; F92-L96 WeakPolarHBondContact O-CB 3.34Å; F92-L96 WeakPolarHBondContact O-CG 3.49Å; F92-L96 PolarHBondContact O-N 3.38Å; F92-F549 HydrophobicContact CB-CZ 4.08Å; F92-F549 AromaticContact CD2-CE1 3.77Å; F92-F549 HydrophobicContact CD2-CE1 3.77Å; F92-F549 AromaticContact CD2-CZ 3.81Å; F92-F549 HydrophobicContact CD2-CZ 3.81Å; F92-F549 HydrophobicContact CE2-CE1 4.24Å; F92-F549 HydrophobicContact CG-CZ 4.12Å; F92-T559 VanDerWaalsContact CE2-O 3.29Å; F92-T559 WeakPolarHBondContact CE2-O 3.02Å; F92-I607 HydrophobicContact CB-CD1 3.62Å
93	V	95.9	Very high	83	Confident	79 Å²	79	85.5 Å²	85.5	48%	0.479	45%	0.448	S	S	.	.	H	α-helix	trans	-62.7	-40.8	177.1	-177.4	0	0	0	0	111.5	D91 A97 Y560	D91-V93 PolarHBondContact O-N 2.95Å; D91-V93 VanDerWaalsContact O-N 3.09Å; V93-A97 WeakPolarHBondContact O-CB 3.32Å; V93-A97 PolarHBondContact O-N 3.12Å; V93-Y560 HydrophobicContact CG1-CE2 4.47Å
94	A	94.9	Very high	85.7	Confident	69 Å²	69	80.1 Å²	80.1	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-71.3	-42	178.3	0	0	0	0	0	111.3	D91 F92 L96 N98	D91-A94 PolarHBondContact O-N 3.47Å; F92-A94 PolarHBondContact O-N 2.88Å; A94-L96 PolarHBondContact O-N 3.3Å; A94-N98 PolarHBondContact O-N 3.31Å
95	K	95.3	Very high	88.3	Confident	36 Å²	36	72 Å²	72	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-43.4	176.4	-67.7	157.1	163.6	-69.8	0	112	R90 D91 F92 N99 D606 I607 E609	R90-K95 WeakPolarHBondContact O-CE 3.35Å; D91-K95 PolarHBondContact O-N 3.23Å; F92-K95 PolarHBondContact O-N 3.15Å; K95-N99 PolarHBondContact O-ND2 2.89Å; K95-D606 HydrophobicContact CB-CB 4.07Å; K95-D606 WeakPolarHBondContact CB-O 3.46Å; K95-D606 WeakPolarHBondContact CD-O 3.47Å; K95-D606 HydrophobicContact CG-CB 4.41Å; K95-D606 VanDerWaalsContact CG-O 3.26Å; K95-D606 WeakPolarHBondContact CG-O 3.48Å; K95-D606 PolarHBondContact NZ-O 3.26Å; K95-I607 HydrophobicContact CB-CD1 4.11Å; K95-I607 HydrophobicContact CD-CD1 4.24Å; K95-E609 IonicContact NZ-OE1 3.21Å; K95-E609 PolarHBondContact NZ-OE1 2.84Å; K95-E609 IonicContact NZ-OE2 2.75Å; K95-E609 PolarHBondContact NZ-OE2 2.85Å
96	L	97.1	Very high	89.7	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-82.4	-33	179.7	-65.9	173.9	0	0	0	113.6	F92 A94 N98 N99 T100 F549 Y560 I602 F604 I607	F92-L96 HydrophobicContact CD2-CD1 4.38Å; F92-L96 WeakPolarHBondContact O-CB 3.34Å; F92-L96 WeakPolarHBondContact O-CG 3.49Å; F92-L96 PolarHBondContact O-N 3.38Å; A94-L96 PolarHBondContact O-N 3.3Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 2.86Å; L96-N99 CarbonylContact O-C 3.59Å; L96-N99 PolarHBondContact O-N 3.49Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.24Å; L96-F549 HydrophobicContact CD1-CD1 4.41Å; L96-F549 HydrophobicContact CD1-CE1 3.88Å; L96-F549 HydrophobicContact CD1-CZ 4.35Å; L96-Y560 HydrophobicContact CB-CD1 4.03Å; L96-Y560 HydrophobicContact CB-CD2 4.04Å; L96-Y560 HydrophobicContact CB-CE1 3.72Å; L96-Y560 HydrophobicContact CB-CE2 3.74Å; L96-Y560 HydrophobicContact CB-CG 4.19Å; L96-Y560 HydrophobicContact CD1-CD1 3.76Å; L96-Y560 HydrophobicContact CD1-CD2 4.07Å; L96-Y560 HydrophobicContact CD1-CE1 4.32Å; L96-Y560 HydrophobicContact CD1-CG 3.63Å; L96-Y560 PolarHBondContact O-OH 3.47Å; L96-I602 HydrophobicContact CD2-CG2 3.73Å; L96-F604 HydrophobicContact CD1-CE1 4.45Å; L96-F604 HydrophobicContact CD2-CD1 4.03Å; L96-F604 HydrophobicContact CD2-CE1 4.07Å; L96-F604 HydrophobicContact CD2-CG 4.36Å; L96-F604 HydrophobicContact CD2-CZ 4.45Å; L96-I607 HydrophobicContact CD1-CD1 4.26Å; L96-I607 HydrophobicContact CD1-CG1 4.4Å; L96-I607 HydrophobicContact CD2-CD1 4.28Å; L96-I607 HydrophobicContact CD2-CG1 3.68Å; L96-I607 HydrophobicContact CG-CD1 3.98Å; L96-I607 HydrophobicContact CG-CG1 3.96Å
97	A	95.8	Very high	89.9	Confident	58 Å²	58	71 Å²	71	48%	0.479	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-38	-179.8	0	0	0	0	0	113	V93 N99 Y560	V93-A97 WeakPolarHBondContact O-CB 3.32Å; V93-A97 PolarHBondContact O-N 3.12Å; A97-N99 PolarHBondContact O-N 3.17Å; A97-Y560 WeakPolarHBondContact CA-OH 3.31Å; A97-Y560 PolarHBondContact N-OH 2.77Å
98	N	94.5	Very high	90.2	Very high	131 Å²	131	68.1 Å²	68.1	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.6	176.6	-163.4	62.7	0	0	0	113.6	A94 L96	A94-N98 PolarHBondContact O-N 3.31Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 2.86Å
99	N	97.5	Very high	90.3	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.016	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	12.8	-176.5	-69.4	-64.7	0	0	0	113.7	K95 L96 A97 H101 I602 D603 K605 D606	K95-N99 PolarHBondContact O-ND2 2.89Å; L96-N99 CarbonylContact O-C 3.59Å; L96-N99 PolarHBondContact O-N 3.49Å; A97-N99 PolarHBondContact O-N 3.17Å; N99-H101 PolarHBondContact O-CE1 2.72Å; N99-H101 VanDerWaalsContact O-CE1 3.24Å; N99-H101 PolarHBondContact O-ND1 2.91Å; N99-I602 WeakPolarHBondContact O-CA 3.39Å; N99-D603 HydrophobicContact CB-CB 4.25Å; N99-D603 WeakPolarHBondContact CB-O 3.46Å; N99-D603 PolarHBondContact O-N 2.68Å; N99-K605 WeakPolarHBondContact OD1-CE 3.3Å; N99-K605 PolarHBondContact OD1-NZ 3.18Å; N99-D606 PolarHBondContact ND2-OD2 3.1Å
100	T	98.3	Very high	89.8	Confident	31 Å²	31	67.8 Å²	67.8	19%	0.19	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.2	173.2	-58.5	0	0	0	0	109	L96 Y560 F562 Y600 I602	L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.24Å; T100-Y560 WeakPolarHBondContact OG1-CE1 3.07Å; T100-Y560 PolarHBondContact OG1-OH 2.04Å; T100-F562 HydrophobicContact CG2-CB 4.29Å; T100-Y600 HydrophobicContact CG2-CD1 4.44Å; T100-I602 HydrophobicContact CG2-CG1 4.1Å
101	H	98.4	Very high	89.3	Confident	55 Å²	55	60.4 Å²	60.4	26%	0.255	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.1	-172.6	-54.5	75.6	0	0	0	109.5	N99 K152 Y600 T601	N99-H101 PolarHBondContact O-CE1 2.72Å; N99-H101 VanDerWaalsContact O-CE1 3.24Å; N99-H101 PolarHBondContact O-ND1 2.91Å; H101-K152 HydrophobicContact CB-CB 3.69Å; H101-K152 HydrophobicContact CB-CG 3.88Å; H101-Y600 CarbonylContact O-C 3.55Å; H101-Y600 WeakPolarHBondContact O-CA 3.24Å; H101-T601 PolarHBondContact N-O 3.19Å; H101-T601 PolarHBondContact ND1-O 3.27Å; H101-T601 PolarHBondContact O-N 3.13Å
102	Q	97.4	Very high	89.2	Confident	104 Å²	104	56.5 Å²	56.5	49%	0.486	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.5	-180	-178.6	-179.8	-3.2	0	0	110.9	V104 V598 S599 Y600	Q102-V104 HydrophobicContact CG-CG2 4.3Å; Q102-V598 HydrophobicContact CG-CG2 3.91Å; Q102-S599 WeakPolarHBondContact CA-O 3.1Å; Q102-Y600 HydrophobicContact CB-CD1 3.84Å; Q102-Y600 HydrophobicContact CB-CE1 3.8Å; Q102-Y600 VanDerWaalsContact CD-CE1 3.45Å; Q102-Y600 HydrophobicContact CG-CD1 3.93Å; Q102-Y600 HydrophobicContact CG-CE1 3.51Å; Q102-Y600 PolarHBondContact NE2-OH 2.76Å
103	H	96.6	Very high	89.2	Confident	36 Å²	36	56.1 Å²	56.1	17%	0.167	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.4	167.3	-165.6	87.5	0	0	0	110.7	F105 F154 V598 S599	H103-F105 AromaticContact CD2-CD1 3.66Å; H103-F105 AromaticContact CD2-CE1 3.45Å; H103-F105 VanDerWaalsContact CD2-CE1 3.45Å; H103-F105 WeakPolarHBondContact CD2-CE1 3.48Å; H103-F105 AromaticContact CD2-CE2 3.88Å; H103-F105 AromaticContact CD2-CG 3.96Å; H103-F105 AromaticContact CD2-CZ 3.57Å; H103-F105 AromaticContact NE2-CD1 3.88Å; H103-F105 AromaticContact NE2-CE1 3.89Å; H103-F154 HydrophobicContact CB-CD2 4.33Å; H103-F154 PolarHBondContact CE1-O 2.87Å; H103-F154 PolarHBondContact ND1-N 3.39Å; H103-V598 WeakPolarHBondContact O-CA 3.04Å; H103-S599 PolarHBondContact N-O 2.7Å; H103-S599 PolarHBondContact O-N 2.82Å; H103-S599 PolarHBondContact O-OG 3.37Å
104	V	94	Very high	89.1	Confident	44 Å²	44	55.1 Å²	55.1	27%	0.267	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.1	175.1	-179.9	0	0	0	0	108.6	Q102 Q596 V598	Q102-V104 HydrophobicContact CG-CG2 4.3Å; V104-Q596 HydrophobicContact CG1-CB 4.25Å; V104-V598 HydrophobicContact CG2-CB 4.3Å; V104-V598 HydrophobicContact CG2-CG2 3.81Å
105	F	91.3	Very high	89.2	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	94	-177.6	-56.7	-96.4	0	0	0	110.7	H103 D107 L108 Y145 F154 W586 W597 S599	H103-F105 AromaticContact CD2-CD1 3.66Å; H103-F105 AromaticContact CD2-CE1 3.45Å; H103-F105 VanDerWaalsContact CD2-CE1 3.45Å; H103-F105 WeakPolarHBondContact CD2-CE1 3.48Å; H103-F105 AromaticContact CD2-CE2 3.88Å; H103-F105 AromaticContact CD2-CG 3.96Å; H103-F105 AromaticContact CD2-CZ 3.57Å; H103-F105 AromaticContact NE2-CD1 3.88Å; H103-F105 AromaticContact NE2-CE1 3.89Å; F105-D107 PolarHBondContact O-N 2.85Å; F105-L108 HydrophobicContact CB-CB 3.62Å; F105-L108 HydrophobicContact CB-CD1 3.5Å; F105-L108 VanDerWaalsContact CB-CD1 3.5Å; F105-L108 HydrophobicContact CB-CG 4.04Å; F105-L108 HydrophobicContact CD1-CD1 3.76Å; F105-L108 HydrophobicContact CG-CD1 3.78Å; F105-L108 WeakPolarHBondContact O-CB 3.11Å; F105-L108 PolarHBondContact O-N 2.89Å; F105-Y145 HydrophobicContact CD1-CD1 4.01Å; F105-Y145 HydrophobicContact CD1-CD2 4.3Å; F105-Y145 HydrophobicContact CD1-CE1 4.15Å; F105-Y145 HydrophobicContact CD1-CE2 4.44Å; F105-Y145 HydrophobicContact CD1-CG 4.1Å; F105-Y145 HydrophobicContact CE1-CD1 4.34Å; F105-Y145 HydrophobicContact CE1-CG 4.22Å; F105-F154 HydrophobicContact CE1-CB 3.8Å; F105-F154 HydrophobicContact CE1-CD1 4.28Å; F105-F154 AromaticContact CE1-CD2 3.83Å; F105-F154 HydrophobicContact CE1-CD2 3.83Å; F105-F154 HydrophobicContact CE1-CE2 4.47Å; F105-F154 AromaticContact CE1-CG 3.72Å; F105-F154 HydrophobicContact CE1-CG 3.72Å; F105-F154 HydrophobicContact CZ-CB 4.35Å; F105-F154 HydrophobicContact CZ-CD1 4.48Å; F105-F154 AromaticContact CZ-CD2 3.49Å; F105-F154 HydrophobicContact CZ-CD2 3.49Å; F105-F154 VanDerWaalsContact CZ-CD2 3.49Å; F105-F154 AromaticContact CZ-CE2 3.8Å; F105-F154 HydrophobicContact CZ-CE2 3.8Å; F105-F154 AromaticContact CZ-CG 3.87Å; F105-F154 HydrophobicContact CZ-CG 3.87Å; F105-F154 HydrophobicContact CZ-CZ 4.43Å; F105-W586 HydrophobicContact CD2-CH2 4.48Å; F105-W586 HydrophobicContact CD2-CZ3 4.18Å; F105-W586 HydrophobicContact CE1-CH2 4.32Å; F105-W586 HydrophobicContact CE2-CE3 4.44Å; F105-W586 AromaticContact CE2-CH2 3.44Å; F105-W586 HydrophobicContact CE2-CH2 3.44Å; F105-W586 VanDerWaalsContact CE2-CH2 3.44Å; F105-W586 HydrophobicContact CE2-CZ2 4.42Å; F105-W586 AromaticContact CE2-CZ3 3.45Å; F105-W586 HydrophobicContact CE2-CZ3 3.45Å; F105-W586 VanDerWaalsContact CE2-CZ3 3.45Å; F105-W586 AromaticContact CZ-CH2 3.34Å; F105-W586 HydrophobicContact CZ-CH2 3.34Å; F105-W586 HydrophobicContact CZ-CZ2 4.23Å; F105-W586 AromaticContact CZ-CZ3 3.85Å; F105-W586 HydrophobicContact CZ-CZ3 3.85Å; F105-W597 HydrophobicContact CB-CB 4.46Å; F105-W597 HydrophobicContact CD2-CB 4.33Å; F105-W597 PolarHBondContact N-O 2.95Å; F105-S599 WeakPolarHBondContact CE2-OG 3.24Å
106	D	79.6	Confident	89.3	Confident	113 Å²	113	53 Å²	53	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-41.1	-167	-68.1	-57.9	0	0	0	115.3	Q596	D106-Q596 PolarHBondContact OD1-NE2 2.83Å
107	D	72.3	Confident	89.3	Confident	98 Å²	98	53 Å²	53	52%	0.524	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.5	-177.6	-73.2	-32.1	0	0	0	113.5	F105 R109 K143	F105-D107 PolarHBondContact O-N 2.85Å; D107-R109 PolarHBondContact O-N 3.04Å; D107-K143 VanDerWaalsContact CB-CE 3.49Å; D107-K143 WeakPolarHBondContact OD2-CE 3.2Å; D107-K143 IonicContact OD2-NZ 3.77Å; D107-K143 PolarHBondContact OD2-NZ 2.99Å
108	L	66.4	Low	89.1	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.28	C	S	.	.			trans	-77	109.5	-167.4	-136.8	108.6	0	0	0	111.6	F105 V112 T128 Y145 W597	F105-L108 HydrophobicContact CB-CB 3.62Å; F105-L108 HydrophobicContact CB-CD1 3.5Å; F105-L108 VanDerWaalsContact CB-CD1 3.5Å; F105-L108 HydrophobicContact CB-CG 4.04Å; F105-L108 HydrophobicContact CD1-CD1 3.76Å; F105-L108 HydrophobicContact CG-CD1 3.78Å; F105-L108 WeakPolarHBondContact O-CB 3.11Å; F105-L108 PolarHBondContact O-N 2.89Å; L108-V112 HydrophobicContact CD2-CG1 4.37Å; L108-V112 HydrophobicContact CD2-CG2 3.72Å; L108-T128 HydrophobicContact CD1-CG2 3.83Å; L108-T128 HydrophobicContact CD2-CG2 3.44Å; L108-T128 VanDerWaalsContact CD2-CG2 3.44Å; L108-T128 HydrophobicContact CG-CG2 3.43Å; L108-T128 VanDerWaalsContact CG-CG2 3.43Å; L108-Y145 HydrophobicContact CD1-CD2 3.78Å; L108-Y145 HydrophobicContact CD1-CE2 3.34Å; L108-W597 HydrophobicContact CB-CB 4.09Å; L108-W597 HydrophobicContact CB-CG 4.28Å; L108-W597 HydrophobicContact CD2-CB 3.61Å; L108-W597 HydrophobicContact CD2-CD2 4.09Å; L108-W597 HydrophobicContact CD2-CG 3.44Å; L108-W597 VanDerWaalsContact CD2-CG 3.44Å; L108-W597 HydrophobicContact CG-CB 4.43Å; L108-W597 HydrophobicContact CG-CG 4.46Å
109	R	70.9	Confident	89	Confident	139 Å²	139	48.1 Å²	48.1	53%	0.525	27%	0.265	S	S	.	.			trans	-139.1	152.4	176.7	-60.4	-173.5	-175.3	-161.5	0.9	111	D107 F130	D107-R109 PolarHBondContact O-N 3.04Å; R109-F130 HydrophobicContact CB-CD2 4.22Å
110	G	75.3	Confident	88.8	Confident	42 Å²	42	50.9 Å²	50.9	43%	0.433	28%	0.284	S	S	.	.	S	Bend	trans	85.3	-150.9	-178.1	0	0	0	0	0	112.7
111	S	78.9	Confident	88.6	Confident	56 Å²	56	51.1 Å²	51.1	39%	0.392	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	147.2	-178	62.6	0	0	0	0	112.2	T128 T129	S111-T128 VanDerWaalsContact O-CA 3.23Å; S111-T128 WeakPolarHBondContact O-CA 3.2Å; S111-T128 VanDerWaalsContact O-CB 3.25Å; S111-T128 WeakPolarHBondContact O-CB 3.5Å; S111-T128 WeakPolarHBondContact O-CG2 3.1Å; S111-T129 PolarHBondContact N-O 2.81Å; S111-T129 PolarHBondContact O-N 3.04Å; S111-T129 PolarHBondContact OG-OG1 3.22Å; S111-T129 VanDerWaalsContact OG-OG1 3.06Å
112	V	89.4	Confident	88.4	Confident	46 Å²	46	48.5 Å²	48.5	28%	0.279	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.1	177.6	-168.8	0	0	0	0	109.9	L108 V126 T128 W597	L108-V112 HydrophobicContact CD2-CG1 4.37Å; L108-V112 HydrophobicContact CD2-CG2 3.72Å; V112-V126 HydrophobicContact CG1-CG1 3.85Å; V112-T128 HydrophobicContact CB-CG2 4.22Å; V112-T128 HydrophobicContact CG1-CG2 4.14Å; V112-T128 HydrophobicContact CG2-CG2 3.9Å; V112-W597 HydrophobicContact CG2-CD2 4Å; V112-W597 HydrophobicContact CG2-CE3 4.36Å; V112-W597 HydrophobicContact CG2-CH2 3.97Å; V112-W597 HydrophobicContact CG2-CZ2 3.57Å; V112-W597 HydrophobicContact CG2-CZ3 4.34Å
113	S	92.7	Very high	88.5	Confident	33 Å²	33	43.9 Å²	43.9	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.1	172.2	-57.9	0	0	0	0	109.2	V126 L127 M172	S113-V126 WeakPolarHBondContact O-CA 3.2Å; S113-L127 PolarHBondContact N-O 2.04Å; S113-L127 PolarHBondContact O-N 2.91Å; S113-M172 WeakPolarHBondContact O-CE 3.17Å
114	L	95.2	Very high	88.6	Confident	57 Å²	57	42.1 Å²	42.1	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.5	178.4	-173.6	150	0	0	0	109.5	I124 L125 V126 A573 W586	L114-I124 HydrophobicContact CD1-CG2 3.96Å; L114-I124 HydrophobicContact CD2-CG2 3.84Å; L114-I124 HydrophobicContact CG-CG2 3.63Å; L114-L125 CarbonylContact C-O 3.52Å; L114-L125 WeakPolarHBondContact CA-O 3.5Å; L114-V126 HydrophobicContact CD1-CG2 4.26Å; L114-V126 HydrophobicContact CG-CG2 4.32Å; L114-A573 HydrophobicContact CD1-CB 4.01Å; L114-A573 HydrophobicContact CD2-CB 4.33Å; L114-W586 HydrophobicContact CD1-CZ2 3.64Å
115	S	96.9	Very high	88.7	Confident	27 Å²	27	40 Å²	40	19%	0.189	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	132.5	171.9	-61.6	0	0	0	0	111.9	L125	S115-L125 PolarHBondContact N-O 2.94Å; S115-L125 PolarHBondContact O-N 3.39Å
116	W	97	Very high	89	Confident	35 Å²	35	40 Å²	40	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	149.9	168	-66.9	89.6	0	0	0	110.3	V123 I124 Y150 S574 E575 P576	W116-V123 WeakPolarHBondContact CA-O 3.45Å; W116-I124 HydrophobicContact CD2-CD1 4.39Å; W116-I124 HydrophobicContact CD2-CG1 3.93Å; W116-I124 HydrophobicContact CE3-CD1 4.31Å; W116-I124 HydrophobicContact CE3-CG1 3.69Å; W116-I124 HydrophobicContact CH2-CD1 3.43Å; W116-I124 VanDerWaalsContact CH2-CD1 3.43Å; W116-I124 HydrophobicContact CH2-CG1 3.75Å; W116-I124 HydrophobicContact CZ2-CD1 3.51Å; W116-I124 HydrophobicContact CZ2-CG1 3.96Å; W116-I124 HydrophobicContact CZ3-CD1 3.86Å; W116-I124 HydrophobicContact CZ3-CG1 3.61Å; W116-Y150 AromaticContact CH2-CD1 3.88Å; W116-Y150 HydrophobicContact CH2-CD1 3.88Å; W116-Y150 AromaticContact CZ3-CD1 3.64Å; W116-Y150 HydrophobicContact CZ3-CD1 3.64Å; W116-Y150 HydrophobicContact CZ3-CE1 4.23Å; W116-Y150 HydrophobicContact CZ3-CG 4.43Å; W116-S574 WeakPolarHBondContact CZ2-O 3.27Å; W116-S574 PolarHBondContact NE1-O 2.87Å; W116-E575 HydrophobicContact CE3-CB 4.47Å; W116-E575 HydrophobicContact CH2-CB 4.2Å; W116-E575 VanDerWaalsContact CZ2-N 3.32Å; W116-E575 HydrophobicContact CZ3-CB 4.17Å; W116-P576 HydrophobicContact CG-CG 4.36Å
117	V	96.8	Very high	89.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	20%	0.203	C	C	.	.			trans	-126.2	81.6	-178.8	-167.8	0	0	0	0	110.1	T121 V123 L125 I174 V182 F203	V117-T121 WeakPolarHBondContact O-CG2 3.15Å; V117-T121 PolarHBondContact O-OG1 3.48Å; V117-V123 HydrophobicContact CB-CB 4.21Å; V117-V123 HydrophobicContact CB-CG1 3.89Å; V117-V123 HydrophobicContact CG2-CG1 4.06Å; V117-V123 PolarHBondContact N-O 3.46Å; V117-L125 HydrophobicContact CG2-CD1 4.06Å; V117-L125 HydrophobicContact CG2-CG 4.06Å; V117-I174 HydrophobicContact CG1-CG2 4.36Å; V117-I174 HydrophobicContact CG2-CD1 4.31Å; V117-V182 HydrophobicContact CG1-CG2 3.76Å; V117-V182 HydrophobicContact CG2-CG2 4.06Å; V117-F203 HydrophobicContact CG1-CD1 3.94Å; V117-F203 VanDerWaalsContact O-CD1 3.28Å; V117-F203 WeakPolarHBondContact O-CD1 3.45Å
118	G	91.9	Very high	90.5	Very high	16 Å²	16	30.2 Å²	30.2	17%	0.165	18%	0.179	C	C	.	.	S	Bend	trans	83.7	150.6	-177.4	0	0	0	0	0	114.3	T121 N178	G118-T121 PolarHBondContact O-OG1 3.11Å; G118-N178 VanDerWaalsContact CA-OD1 3.24Å; G118-N178 WeakPolarHBondContact CA-OD1 3.43Å
119	D	92.4	Very high	91.4	Very high	70 Å²	70	30.4 Å²	30.4	37%	0.374	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	144.5	176	174.4	88.3	0	0	0	112.5	T121 N178	D119-T121 WeakPolarHBondContact O-CG2 3.33Å; D119-T121 PolarHBondContact O-N 2.91Å; D119-N178 PolarHBondContact N-OD1 2.88Å; D119-N178 PolarHBondContact O-ND2 2.99Å; D119-N178 PolarHBondContact O-OD1 3.06Å
120	S	92.4	Very high	91.8	Very high	60 Å²	60	28 Å²	28	42%	0.42	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	8.2	178.4	-61.3	0	0	0	0	114.5	Y150 E575	S120-Y150 PolarHBondContact O-OH 2.8Å; S120-Y150 VanDerWaalsContact O-OH 3.08Å; S120-E575 VanDerWaalsContact CA-OE1 3.3Å; S120-E575 WeakPolarHBondContact CA-OE1 3.44Å; S120-E575 PolarHBondContact N-OE1 2.7Å
121	T	95.4	Very high	91.7	Very high	37 Å²	37	30.8 Å²	30.8	23%	0.227	18%	0.175	C	C	.	.	S	Bend	trans	-84.8	-26.8	-178.5	68.5	0	0	0	0	113.5	V117 G118 D119 V123 F203	V117-T121 WeakPolarHBondContact O-CG2 3.15Å; V117-T121 PolarHBondContact O-OG1 3.48Å; G118-T121 PolarHBondContact O-OG1 3.11Å; D119-T121 WeakPolarHBondContact O-CG2 3.33Å; D119-T121 PolarHBondContact O-N 2.91Å; T121-V123 PolarHBondContact O-N 3.49Å; T121-V123 PolarHBondContact OG1-N 3.39Å; T121-F203 HydrophobicContact CG2-CD1 4.04Å; T121-F203 HydrophobicContact CG2-CE1 3.67Å; T121-F203 HydrophobicContact CG2-CZ 4.47Å
122	G	94.6	Very high	91.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.			trans	65.6	7.6	-167.6	0	0	0	0	0	115.1	E148 D149 Y150	G122-E148 CarbonylContact O-C 3.5Å; G122-E148 VanDerWaalsContact O-C 3.32Å; G122-E148 WeakPolarHBondContact O-CA 3.41Å; G122-D149 PolarHBondContact O-N 2.99Å; G122-Y150 VanDerWaalsContact CA-CE1 3.48Å; G122-Y150 VanDerWaalsContact CA-CE2 3.49Å; G122-Y150 VanDerWaalsContact N-CZ 3.35Å; G122-Y150 PolarHBondContact N-OH 2.91Å; G122-Y150 PolarHBondContact O-N 3.37Å
123	V	98.1	Very high	89.6	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.036	19%	0.193	C	C	.	.			trans	-85.3	117.2	-174.4	179.9	0	0	0	0	111	W116 V117 T121 R146 S147 E148 F203	W116-V123 WeakPolarHBondContact CA-O 3.45Å; V117-V123 HydrophobicContact CB-CB 4.21Å; V117-V123 HydrophobicContact CB-CG1 3.89Å; V117-V123 HydrophobicContact CG2-CG1 4.06Å; V117-V123 PolarHBondContact N-O 3.46Å; T121-V123 PolarHBondContact O-N 3.49Å; T121-V123 PolarHBondContact OG1-N 3.39Å; V123-R146 HydrophobicContact CG1-CG 4.45Å; V123-S147 WeakPolarHBondContact CA-O 3.47Å; V123-E148 HydrophobicContact CG2-CB 4.02Å; V123-F203 HydrophobicContact CG1-CB 4.44Å; V123-F203 HydrophobicContact CG2-CB 4.28Å
124	I	98.1	Very high	87.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.7	173.9	-49.2	-179.5	0	0	0	108.9	L114 W116 V126 R146 S147 F154	L114-I124 HydrophobicContact CD1-CG2 3.96Å; L114-I124 HydrophobicContact CD2-CG2 3.84Å; L114-I124 HydrophobicContact CG-CG2 3.63Å; W116-I124 HydrophobicContact CD2-CD1 4.39Å; W116-I124 HydrophobicContact CD2-CG1 3.93Å; W116-I124 HydrophobicContact CE3-CD1 4.31Å; W116-I124 HydrophobicContact CE3-CG1 3.69Å; W116-I124 HydrophobicContact CH2-CD1 3.43Å; W116-I124 VanDerWaalsContact CH2-CD1 3.43Å; W116-I124 HydrophobicContact CH2-CG1 3.75Å; W116-I124 HydrophobicContact CZ2-CD1 3.51Å; W116-I124 HydrophobicContact CZ2-CG1 3.96Å; W116-I124 HydrophobicContact CZ3-CD1 3.86Å; W116-I124 HydrophobicContact CZ3-CG1 3.61Å; I124-V126 HydrophobicContact CG2-CG2 4.26Å; I124-R146 WeakPolarHBondContact O-CA 3.35Å; I124-S147 PolarHBondContact N-O 3.36Å; I124-S147 PolarHBondContact O-N 2.78Å; I124-F154 HydrophobicContact CB-CE1 3.97Å; I124-F154 HydrophobicContact CB-CZ 4.2Å; I124-F154 HydrophobicContact CD1-CZ 4.36Å; I124-F154 HydrophobicContact CG2-CE1 4.04Å; I124-F154 HydrophobicContact CG2-CZ 4.19Å
125	L	97.9	Very high	86	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.6	164.6	-69.7	-179.9	0	0	0	111.1	L114 S115 V117 L144 Y145 R146 I157 M172 V182 A204	L114-L125 CarbonylContact C-O 3.52Å; L114-L125 WeakPolarHBondContact CA-O 3.5Å; S115-L125 PolarHBondContact N-O 2.94Å; S115-L125 PolarHBondContact O-N 3.39Å; V117-L125 HydrophobicContact CG2-CD1 4.06Å; V117-L125 HydrophobicContact CG2-CG 4.06Å; L125-L144 HydrophobicContact CD2-CD1 4.36Å; L125-Y145 WeakPolarHBondContact CA-O 3.36Å; L125-R146 HydrophobicContact CD2-CB 3.82Å; L125-R146 HydrophobicContact CD2-CG 4Å; L125-I157 HydrophobicContact CD2-CD1 4.22Å; L125-M172 HydrophobicContact CB-CE 3.97Å; L125-M172 HydrophobicContact CB-SD 3.82Å; L125-M172 HydrophobicContact CD1-SD 4.15Å; L125-V182 HydrophobicContact CD1-CB 4.46Å; L125-V182 HydrophobicContact CD1-CG1 3.71Å; L125-V182 HydrophobicContact CD1-CG2 4.02Å; L125-A204 HydrophobicContact CD1-CB 3.86Å; L125-A204 HydrophobicContact CD2-CB 3.73Å; L125-A204 HydrophobicContact CG-CB 4.21Å
126	V	96.4	Very high	83.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	109.3	173.6	177.1	0	0	0	0	107.8	V112 S113 L114 I124 Y145 F154 W586	V112-V126 HydrophobicContact CG1-CG1 3.85Å; S113-V126 WeakPolarHBondContact O-CA 3.2Å; L114-V126 HydrophobicContact CD1-CG2 4.26Å; L114-V126 HydrophobicContact CG-CG2 4.32Å; I124-V126 HydrophobicContact CG2-CG2 4.26Å; V126-Y145 PolarHBondContact N-O 3.24Å; V126-Y145 PolarHBondContact O-N 3.38Å; V126-F154 HydrophobicContact CB-CE1 4.46Å; V126-F154 HydrophobicContact CG2-CD1 4.23Å; V126-F154 HydrophobicContact CG2-CE1 3.55Å; V126-F154 HydrophobicContact CG2-CZ 3.99Å; V126-W586 HydrophobicContact CG1-CH2 4.13Å; V126-W586 HydrophobicContact CG2-CH2 3.72Å; V126-W586 HydrophobicContact CG2-CZ2 4Å
127	L	93.9	Very high	81.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.8	176.3	173.6	68.6	0	0	0	109	S113 T129 K143 L144 I166 M172	S113-L127 PolarHBondContact N-O 2.04Å; S113-L127 PolarHBondContact O-N 2.91Å; L127-T129 HydrophobicContact CG-CG2 4.46Å; L127-K143 WeakPolarHBondContact CA-O 3.26Å; L127-L144 HydrophobicContact CB-CD1 4.12Å; L127-L144 HydrophobicContact CD1-CD1 4.33Å; L127-I166 HydrophobicContact CD1-CB 4.11Å; L127-I166 HydrophobicContact CD1-CG1 4.12Å; L127-I166 HydrophobicContact CD1-CG2 4.38Å; L127-I166 HydrophobicContact CD2-CB 4.26Å; L127-I166 HydrophobicContact CD2-CG2 3.73Å; L127-M172 HydrophobicContact CB-CE 3.86Å; L127-M172 HydrophobicContact CB-CG 4.36Å; L127-M172 HydrophobicContact CB-SD 3.79Å; L127-M172 HydrophobicContact CD2-CG 4.04Å; L127-M172 HydrophobicContact CD2-SD 4.48Å
128	T	89.6	Confident	79.1	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.5	165.1	63.2	0	0	0	0	112.8	L108 S111 V112 S142 K143	L108-T128 HydrophobicContact CD1-CG2 3.83Å; L108-T128 HydrophobicContact CD2-CG2 3.44Å; L108-T128 VanDerWaalsContact CD2-CG2 3.44Å; L108-T128 HydrophobicContact CG-CG2 3.43Å; L108-T128 VanDerWaalsContact CG-CG2 3.43Å; S111-T128 VanDerWaalsContact O-CA 3.23Å; S111-T128 WeakPolarHBondContact O-CA 3.2Å; S111-T128 VanDerWaalsContact O-CB 3.25Å; S111-T128 WeakPolarHBondContact O-CB 3.5Å; S111-T128 WeakPolarHBondContact O-CG2 3.1Å; V112-T128 HydrophobicContact CB-CG2 4.22Å; V112-T128 HydrophobicContact CG1-CG2 4.14Å; V112-T128 HydrophobicContact CG2-CG2 3.9Å; T128-S142 CarbonylContact O-C 3.6Å; T128-S142 WeakPolarHBondContact O-CA 3.38Å; T128-S142 WeakPolarHBondContact O-CB 3.43Å; T128-K143 PolarHBondContact N-O 3.49Å; T128-K143 PolarHBondContact O-N 3.21Å
129	T	85.4	Confident	77.7	Confident	8 Å²	8	61.5 Å²	61.5	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.3	-178.2	65.1	0	0	0	0	110.9	S111 L127 Q141 F165 I166 T168	S111-T129 PolarHBondContact N-O 2.81Å; S111-T129 PolarHBondContact O-N 3.04Å; S111-T129 PolarHBondContact OG-OG1 3.22Å; S111-T129 VanDerWaalsContact OG-OG1 3.06Å; L127-T129 HydrophobicContact CG-CG2 4.46Å; T129-Q141 WeakPolarHBondContact CA-O 3.37Å; T129-F165 HydrophobicContact CG2-CE2 4.24Å; T129-F165 HydrophobicContact CG2-CZ 4.4Å; T129-I166 WeakPolarHBondContact CG2-O 3.29Å; T129-T168 HydrophobicContact CG2-CG2 3.56Å; T129-T168 VanDerWaalsContact OG1-CG2 3.29Å; T129-T168 WeakPolarHBondContact OG1-CG2 3.42Å
130	F	79.6	Confident	76.7	Confident	89 Å²	89	59.1 Å²	59.1	39%	0.39	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.2	178.9	-174.3	-105.8	0	0	0	110.2	R109 V132 G140 Q141	R109-F130 HydrophobicContact CB-CD2 4.22Å; F130-V132 HydrophobicContact CD1-CG2 4.09Å; F130-V132 HydrophobicContact CE1-CG2 3.98Å; F130-G140 WeakPolarHBondContact O-CA 3.29Å; F130-Q141 PolarHBondContact N-O 3.5Å; F130-Q141 PolarHBondContact O-N 2.86Å
131	H	72.4	Confident	76.1	Confident	99 Å²	99	62.8 Å²	62.8	46%	0.458	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.3	172.9	-71.9	100.5	0	0	0	109.6	P133 F165	H131-P133 VanDerWaalsContact O-CD 3.29Å; H131-P133 WeakPolarHBondContact O-CD 3.34Å; H131-F165 AromaticContact CD2-CZ 3.99Å; H131-F165 AromaticContact CE1-CE1 3.84Å; H131-F165 AromaticContact CE1-CZ 3.49Å; H131-F165 VanDerWaalsContact CE1-CZ 3.49Å; H131-F165 WeakPolarHBondContact CE1-CZ 3.27Å; H131-F165 AromaticContact NE2-CE1 3.5Å; H131-F165 AromaticContact NE2-CZ 3.47Å; H131-F165 WeakPolarHBondContact NE2-CZ 3.36Å
132	V	66.7	Low	75.8	Confident	47 Å²	47	61.3 Å²	61.3	29%	0.285	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.1	168.9	-168.8	0	0	0	0	109	F130 L134 F139	F130-V132 HydrophobicContact CD1-CG2 4.09Å; F130-V132 HydrophobicContact CE1-CG2 3.98Å; V132-L134 HydrophobicContact CG1-CD1 4.33Å; V132-L134 HydrophobicContact CG1-CG 4.1Å; V132-L134 PolarHBondContact O-N 2.79Å; V132-L134 VanDerWaalsContact O-N 3.14Å; V132-F139 WeakPolarHBondContact CB-O 3.01Å; V132-F139 WeakPolarHBondContact CG2-O 3.49Å; V132-F139 PolarHBondContact N-O 2.72Å
133	P	58.7	Low	75.7	Confident	116 Å²	116	63.4 Å²	63.4	75%	0.753	34%	0.338	S	S	*	.			trans	-76	101.3	175.3	30.2	-33.4	0	0	0	110.3	H131	H131-P133 VanDerWaalsContact O-CD 3.29Å; H131-P133 WeakPolarHBondContact O-CD 3.34Å
134	L	56.9	Low	75.6	Confident	104 Å²	104	63.1 Å²	63.1	55%	0.545	34%	0.337	S	S	.	.			trans	-115.1	141.8	168.3	-69.7	170.1	0	0	0	109.9	V132 I136 M137 F139	V132-L134 HydrophobicContact CG1-CD1 4.33Å; V132-L134 HydrophobicContact CG1-CG 4.1Å; V132-L134 PolarHBondContact O-N 2.79Å; V132-L134 VanDerWaalsContact O-N 3.14Å; L134-I136 PolarHBondContact O-N 3.06Å; L134-M137 WeakPolarHBondContact CB-O 3.22Å; L134-M137 PolarHBondContact O-N 3.48Å; L134-F139 HydrophobicContact CD1-CD2 4.35Å
135	V	55.4	Low	75.5	Confident	155 Å²	155	63.8 Å²	63.8	94%	0.939	34%	0.339	S	S	*	.	S	Bend	trans	-62.8	-9.7	-167.1	-173.1	0	0	0	0	114.3
136	I	46	Very low	75.5	Confident	155 Å²	155	65 Å²	65	80%	0.795	34%	0.343	S	S	*	.	S	Bend	trans	-125.2	-28.2	-173.4	-58	178.7	0	0	0	112.8	L134	L134-I136 PolarHBondContact O-N 3.06Å
137	M	48.7	Very low	75.6	Confident	119 Å²	119	65 Å²	65	59%	0.586	34%	0.344	S	S	*	.			trans	-153.4	131.6	177.7	-79.5	-174	-96	0	0	110.4	L134 F139	L134-M137 WeakPolarHBondContact CB-O 3.22Å; L134-M137 PolarHBondContact O-N 3.48Å; M137-F139 HydrophobicContact CB-CD2 4.2Å; M137-F139 HydrophobicContact CB-CE2 3.77Å; M137-F139 PolarHBondContact O-N 3.39Å; M137-F139 HydrophobicContact SD-CE2 4.36Å; M137-F139 HydrophobicContact SD-CZ 4.26Å
138	T	50.8	Low	75.8	Confident	104 Å²	104	70.1 Å²	70.1	64%	0.638	37%	0.368	S	S	*	.			trans	-71.4	121	164.3	24.2	0	0	0	0	109.9
139	F	63.3	Low	76.2	Confident	117 Å²	117	72 Å²	72	51%	0.513	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.8	165.9	-76.8	-86.5	0	0	0	108.5	V132 L134 M137	V132-F139 WeakPolarHBondContact CB-O 3.01Å; V132-F139 WeakPolarHBondContact CG2-O 3.49Å; V132-F139 PolarHBondContact N-O 2.72Å; L134-F139 HydrophobicContact CD1-CD2 4.35Å; M137-F139 HydrophobicContact CB-CD2 4.2Å; M137-F139 HydrophobicContact CB-CE2 3.77Å; M137-F139 PolarHBondContact O-N 3.39Å; M137-F139 HydrophobicContact SD-CE2 4.36Å; M137-F139 HydrophobicContact SD-CZ 4.26Å
140	G	70.4	Confident	76.7	Confident	20 Å²	20	73 Å²	73	21%	0.206	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	140.4	166.7	0	0	0	0	0	110.8	F130 F165	F130-G140 WeakPolarHBondContact O-CA 3.29Å; G140-F165 VanDerWaalsContact CA-CD2 3.43Å
141	Q	79.5	Confident	77.5	Confident	137 Å²	137	68.8 Å²	68.8	64%	0.64	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.7	164	-71.2	-171	-11.3	0	0	109.9	T129 F130 F165	T129-Q141 WeakPolarHBondContact CA-O 3.37Å; F130-Q141 PolarHBondContact N-O 3.5Å; F130-Q141 PolarHBondContact O-N 2.86Å; Q141-F165 WeakPolarHBondContact O-CE2 3.22Å
142	S	90.3	Very high	78.8	Confident	6 Å²	6	65.4 Å²	65.4	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.9	172.8	-60.4	0	0	0	0	110	T128 T158 F165 I166	T128-S142 CarbonylContact O-C 3.6Å; T128-S142 WeakPolarHBondContact O-CA 3.38Å; T128-S142 WeakPolarHBondContact O-CB 3.43Å; S142-T158 WeakPolarHBondContact O-CG2 3.26Å; S142-F165 WeakPolarHBondContact OG-CA 3.16Å; S142-F165 WeakPolarHBondContact OG-CD2 3.44Å; S142-I166 PolarHBondContact OG-N 3.17Å
143	K	92.2	Very high	80.2	Confident	44 Å²	44	67.7 Å²	67.7	19%	0.191	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.3	168.6	-74.5	-76.9	-156.4	159	0	109.3	D107 L127 T128 Y145 D156 T158	D107-K143 VanDerWaalsContact CB-CE 3.49Å; D107-K143 WeakPolarHBondContact OD2-CE 3.2Å; D107-K143 IonicContact OD2-NZ 3.77Å; D107-K143 PolarHBondContact OD2-NZ 2.99Å; L127-K143 WeakPolarHBondContact CA-O 3.26Å; T128-K143 PolarHBondContact N-O 3.49Å; T128-K143 PolarHBondContact O-N 3.21Å; K143-Y145 HydrophobicContact CB-CD2 4.34Å; K143-Y145 HydrophobicContact CB-CE2 3.6Å; K143-Y145 HydrophobicContact CG-CE2 4.33Å; K143-D156 IonicContact NZ-OD2 3.5Å; K143-D156 PolarHBondContact NZ-OD2 2.97Å; K143-T158 WeakPolarHBondContact CA-OG1 3.48Å; K143-T158 HydrophobicContact CD-CG2 4.27Å; K143-T158 WeakPolarHBondContact CD-OG1 3.32Å
144	L	95.2	Very high	82.1	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.4	176.4	-176.2	68.2	0	0	0	109.2	L125 L127 I157 T158 I161 M172 L184 F207	L125-L144 HydrophobicContact CD2-CD1 4.36Å; L127-L144 HydrophobicContact CB-CD1 4.12Å; L127-L144 HydrophobicContact CD1-CD1 4.33Å; L144-I157 HydrophobicContact CB-CG1 4.31Å; L144-I157 HydrophobicContact CD2-CD1 3.77Å; L144-I157 HydrophobicContact CD2-CG1 4Å; L144-I157 HydrophobicContact CG-CD1 4Å; L144-I157 HydrophobicContact CG-CG1 3.88Å; L144-I157 VanDerWaalsContact O-CG1 3.31Å; L144-I157 WeakPolarHBondContact O-CG1 3.33Å; L144-I157 PolarHBondContact O-N 2.68Å; L144-T158 PolarHBondContact N-OG1 3.14Å; L144-T158 PolarHBondContact O-N 3.5Å; L144-I161 HydrophobicContact CB-CD1 4.18Å; L144-I161 HydrophobicContact CD2-CG2 4.21Å; L144-M172 HydrophobicContact CD1-SD 4.27Å; L144-L184 HydrophobicContact CD1-CD1 4.49Å; L144-L184 HydrophobicContact CD2-CD1 3.75Å; L144-F207 HydrophobicContact CD2-CE2 3.88Å; L144-F207 HydrophobicContact CD2-CZ 4.11Å
145	Y	96.6	Very high	84	Confident	14 Å²	14	65.1 Å²	65.1	6%	0.055	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.7	176.6	-60.5	-98.6	0	0	0	110.4	F105 L108 L125 V126 K143 K155 D156	F105-Y145 HydrophobicContact CD1-CD1 4.01Å; F105-Y145 HydrophobicContact CD1-CD2 4.3Å; F105-Y145 HydrophobicContact CD1-CE1 4.15Å; F105-Y145 HydrophobicContact CD1-CE2 4.44Å; F105-Y145 HydrophobicContact CD1-CG 4.1Å; F105-Y145 HydrophobicContact CE1-CD1 4.34Å; F105-Y145 HydrophobicContact CE1-CG 4.22Å; L108-Y145 HydrophobicContact CD1-CD2 3.78Å; L108-Y145 HydrophobicContact CD1-CE2 3.34Å; L125-Y145 WeakPolarHBondContact CA-O 3.36Å; V126-Y145 PolarHBondContact N-O 3.24Å; V126-Y145 PolarHBondContact O-N 3.38Å; K143-Y145 HydrophobicContact CB-CD2 4.34Å; K143-Y145 HydrophobicContact CB-CE2 3.6Å; K143-Y145 HydrophobicContact CG-CE2 4.33Å; Y145-K155 CarbonylContact C-O 3.58Å; Y145-K155 VanDerWaalsContact CA-O 3.29Å; Y145-K155 WeakPolarHBondContact CA-O 3.5Å; Y145-D156 HydrophobicContact CD1-CB 4.02Å; Y145-D156 HydrophobicContact CE1-CB 3.82Å
146	R	98	Very high	85.9	Confident	24 Å²	24	60.5 Å²	60.5	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.4	177.9	-179.6	178.4	174.3	-76.4	-6.5	111.6	V123 I124 L125 E148 F154 K155 I157 F203 A204	V123-R146 HydrophobicContact CG1-CG 4.45Å; I124-R146 WeakPolarHBondContact O-CA 3.35Å; L125-R146 HydrophobicContact CD2-CB 3.82Å; L125-R146 HydrophobicContact CD2-CG 4Å; R146-E148 IonicContact CZ-OE2 2.62Å; R146-E148 VanDerWaalsContact CZ-OE2 3.22Å; R146-E148 VanDerWaalsContact NH1-CD 3.28Å; R146-E148 IonicContact NH1-OE1 3.17Å; R146-E148 IonicContact NH1-OE2 3.61Å; R146-E148 PolarHBondContact NH1-OE2 2.77Å; R146-E148 IonicContact NH2-OE2 3.33Å; R146-E148 PolarHBondContact NH2-OE2 3.01Å; R146-F154 WeakPolarHBondContact O-CA 2.86Å; R146-K155 PolarHBondContact N-O 2.97Å; R146-K155 PolarHBondContact O-N 3.23Å; R146-I157 HydrophobicContact CB-CD1 3.69Å; R146-I157 HydrophobicContact CB-CG1 4.1Å; R146-I157 HydrophobicContact CB-CG2 4.36Å; R146-F203 PolarHBondContact NE-O 2.83Å; R146-F203 PolarHBondContact NH2-O 2.98Å; R146-A204 VanDerWaalsContact CD-O 3.3Å; R146-A204 WeakPolarHBondContact CD-O 3.2Å
147	S	98.4	Very high	88.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	158.5	161.8	167.6	0	0	0	0	109.6	V123 I124 D149 G151 N153	V123-S147 WeakPolarHBondContact CA-O 3.47Å; I124-S147 PolarHBondContact N-O 3.36Å; I124-S147 PolarHBondContact O-N 2.78Å; S147-D149 PolarHBondContact OG-N 3.41Å; S147-D149 VanDerWaalsContact OG-N 3.08Å; S147-D149 PolarHBondContact OG-OD1 2.91Å; S147-G151 WeakPolarHBondContact OG-CA 3.47Å; S147-G151 PolarHBondContact OG-N 2.89Å; S147-N153 VanDerWaalsContact CA-O 3.32Å; S147-N153 WeakPolarHBondContact CA-O 3.35Å; S147-N153 WeakPolarHBondContact CB-O 3.44Å; S147-N153 PolarHBondContact OG-O 2.88Å
148	E	97.6	Very high	90.5	Very high	109 Å²	109	48 Å²	48	51%	0.509	24%	0.236	S	C	.	.	S	Bend	trans	-135.9	25.8	163.7	63.5	-168.3	171.6	0	0	111.8	G122 V123 R146 K205	G122-E148 CarbonylContact O-C 3.5Å; G122-E148 VanDerWaalsContact O-C 3.32Å; G122-E148 WeakPolarHBondContact O-CA 3.41Å; V123-E148 HydrophobicContact CG2-CB 4.02Å; R146-E148 IonicContact CZ-OE2 2.62Å; R146-E148 VanDerWaalsContact CZ-OE2 3.22Å; R146-E148 VanDerWaalsContact NH1-CD 3.28Å; R146-E148 IonicContact NH1-OE1 3.17Å; R146-E148 IonicContact NH1-OE2 3.61Å; R146-E148 PolarHBondContact NH1-OE2 2.77Å; R146-E148 IonicContact NH2-OE2 3.33Å; R146-E148 PolarHBondContact NH2-OE2 3.01Å; E148-K205 WeakPolarHBondContact OE2-CE 3.04Å; E148-K205 IonicContact OE2-NZ 2.68Å
149	D	97.6	Very high	92.7	Very high	45 Å²	45	48 Å²	48	24%	0.241	23%	0.233	C	C	.	.	S	Bend	trans	-139.5	32.9	-173.3	66.5	-2.4	0	0	0	112.5	G122 S147 G151 K152 N153	G122-D149 PolarHBondContact O-N 2.99Å; S147-D149 PolarHBondContact OG-N 3.41Å; S147-D149 VanDerWaalsContact OG-N 3.08Å; S147-D149 PolarHBondContact OG-OD1 2.91Å; D149-G151 VanDerWaalsContact C-N 3.28Å; D149-G151 PolarHBondContact O-N 2.86Å; D149-K152 HydrophobicContact CB-CB 4.45Å; D149-K152 WeakPolarHBondContact O-CD 3.32Å; D149-K152 VanDerWaalsContact O-CG 3.31Å; D149-K152 WeakPolarHBondContact O-CG 3.48Å; D149-K152 PolarHBondContact O-N 2.66Å; D149-K152 PolarHBondContact OD1-N 2.89Å; D149-N153 PolarHBondContact OD1-N 3.43Å; D149-N153 VanDerWaalsContact OD1-O 3.13Å; D149-N153 WeakPolarHBondContact OD2-CB 3.42Å; D149-N153 PolarHBondContact OD2-N 3.3Å; D149-N153 VanDerWaalsContact OD2-N 3.11Å; D149-N153 PolarHBondContact OD2-ND2 2.63Å
150	Y	97.1	Very high	94.3	Very high	29 Å²	29	44.9 Å²	44.9	11%	0.114	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	28.1	-180	-56.8	-92.6	0	0	0	113.8	W116 S120 G122 E575 N582 S584 T601 R655	W116-Y150 AromaticContact CH2-CD1 3.88Å; W116-Y150 HydrophobicContact CH2-CD1 3.88Å; W116-Y150 AromaticContact CZ3-CD1 3.64Å; W116-Y150 HydrophobicContact CZ3-CD1 3.64Å; W116-Y150 HydrophobicContact CZ3-CE1 4.23Å; W116-Y150 HydrophobicContact CZ3-CG 4.43Å; S120-Y150 PolarHBondContact O-OH 2.8Å; S120-Y150 VanDerWaalsContact O-OH 3.08Å; G122-Y150 VanDerWaalsContact CA-CE1 3.48Å; G122-Y150 VanDerWaalsContact CA-CE2 3.49Å; G122-Y150 VanDerWaalsContact N-CZ 3.35Å; G122-Y150 PolarHBondContact N-OH 2.91Å; G122-Y150 PolarHBondContact O-N 3.37Å; Y150-E575 WeakPolarHBondContact CE1-OE1 2.8Å; Y150-N582 HydrophobicContact CD1-CB 4.5Å; Y150-N582 HydrophobicContact CG-CB 4.16Å; Y150-S584 PolarHBondContact O-OG 3.32Å; Y150-T601 VanDerWaalsContact O-CG2 3.31Å; Y150-T601 WeakPolarHBondContact O-CG2 3.42Å; Y150-R655 PolarHBondContact OH-NH2 3.5Å
151	G	96.9	Very high	95.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	17.2	178.5	0	0	0	0	0	114.6	S147 D149 T601	S147-G151 WeakPolarHBondContact OG-CA 3.47Å; S147-G151 PolarHBondContact OG-N 2.89Å; D149-G151 VanDerWaalsContact C-N 3.28Å; D149-G151 PolarHBondContact O-N 2.86Å; G151-T601 VanDerWaalsContact C-OG1 3.25Å; G151-T601 WeakPolarHBondContact O-CB 3.44Å; G151-T601 PolarHBondContact O-OG1 2.93Å
152	K	97.7	Very high	96.1	Very high	28 Å²	28	42.4 Å²	42.4	12%	0.122	21%	0.208	C	C	.	.	S	Bend	trans	-74.3	-37.7	175	-66.4	170.1	178.9	168.3	0	111.5	H101 D149 N582 T601 D603	H101-K152 HydrophobicContact CB-CB 3.69Å; H101-K152 HydrophobicContact CB-CG 3.88Å; D149-K152 HydrophobicContact CB-CB 4.45Å; D149-K152 WeakPolarHBondContact O-CD 3.32Å; D149-K152 VanDerWaalsContact O-CG 3.31Å; D149-K152 WeakPolarHBondContact O-CG 3.48Å; D149-K152 PolarHBondContact O-N 2.66Å; D149-K152 PolarHBondContact OD1-N 2.89Å; K152-N582 WeakPolarHBondContact CE-OD1 3.47Å; K152-N582 PolarHBondContact NZ-OD1 3.33Å; K152-T601 HydrophobicContact CG-CG2 3.57Å; K152-D603 IonicContact NZ-OD2 2.7Å; K152-D603 PolarHBondContact NZ-OD2 2.72Å
153	N	97.6	Very high	96.2	Very high	94 Å²	94	47.2 Å²	47.2	50%	0.503	23%	0.233	S	C	.	.	S	Bend	trans	-136.3	138.9	173.8	-59.5	-90.4	0	0	0	110.2	S147 D149	S147-N153 VanDerWaalsContact CA-O 3.32Å; S147-N153 WeakPolarHBondContact CA-O 3.35Å; S147-N153 WeakPolarHBondContact CB-O 3.44Å; S147-N153 PolarHBondContact OG-O 2.88Å; D149-N153 PolarHBondContact OD1-N 3.43Å; D149-N153 VanDerWaalsContact OD1-O 3.13Å; D149-N153 WeakPolarHBondContact OD2-CB 3.42Å; D149-N153 PolarHBondContact OD2-N 3.3Å; D149-N153 VanDerWaalsContact OD2-N 3.11Å; D149-N153 PolarHBondContact OD2-ND2 2.63Å
154	F	97.1	Very high	96.2	Very high	17 Å²	17	46.4 Å²	46.4	8%	0.075	23%	0.232	C	C	.	.			trans	-115.8	151.6	170.8	-70.1	-95.7	0	0	0	111.4	H103 F105 I124 V126 R146 W586	H103-F154 HydrophobicContact CB-CD2 4.33Å; H103-F154 PolarHBondContact CE1-O 2.87Å; H103-F154 PolarHBondContact ND1-N 3.39Å; F105-F154 HydrophobicContact CE1-CB 3.8Å; F105-F154 HydrophobicContact CE1-CD1 4.28Å; F105-F154 AromaticContact CE1-CD2 3.83Å; F105-F154 HydrophobicContact CE1-CD2 3.83Å; F105-F154 HydrophobicContact CE1-CE2 4.47Å; F105-F154 AromaticContact CE1-CG 3.72Å; F105-F154 HydrophobicContact CE1-CG 3.72Å; F105-F154 HydrophobicContact CZ-CB 4.35Å; F105-F154 HydrophobicContact CZ-CD1 4.48Å; F105-F154 AromaticContact CZ-CD2 3.49Å; F105-F154 HydrophobicContact CZ-CD2 3.49Å; F105-F154 VanDerWaalsContact CZ-CD2 3.49Å; F105-F154 AromaticContact CZ-CE2 3.8Å; F105-F154 HydrophobicContact CZ-CE2 3.8Å; F105-F154 AromaticContact CZ-CG 3.87Å; F105-F154 HydrophobicContact CZ-CG 3.87Å; F105-F154 HydrophobicContact CZ-CZ 4.43Å; I124-F154 HydrophobicContact CB-CE1 3.97Å; I124-F154 HydrophobicContact CB-CZ 4.2Å; I124-F154 HydrophobicContact CD1-CZ 4.36Å; I124-F154 HydrophobicContact CG2-CE1 4.04Å; I124-F154 HydrophobicContact CG2-CZ 4.19Å; V126-F154 HydrophobicContact CB-CE1 4.46Å; V126-F154 HydrophobicContact CG2-CD1 4.23Å; V126-F154 HydrophobicContact CG2-CE1 3.55Å; V126-F154 HydrophobicContact CG2-CZ 3.99Å; R146-F154 WeakPolarHBondContact O-CA 2.86Å; F154-W586 HydrophobicContact CE2-CZ2 4.24Å; F154-W586 HydrophobicContact CZ-CH2 4.45Å; F154-W586 HydrophobicContact CZ-CZ2 4.02Å
155	K	96.9	Very high	96	Very high	149 Å²	149	47.3 Å²	47.3	65%	0.648	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	131	173.5	-179.9	-179.2	177.5	-176.7	0	109.4	Y145 R146 I157	Y145-K155 CarbonylContact C-O 3.58Å; Y145-K155 VanDerWaalsContact CA-O 3.29Å; Y145-K155 WeakPolarHBondContact CA-O 3.5Å; R146-K155 PolarHBondContact N-O 2.97Å; R146-K155 PolarHBondContact O-N 3.23Å; K155-I157 HydrophobicContact CD-CG2 4.39Å; K155-I157 HydrophobicContact CG-CG2 4.26Å; K155-I157 PolarHBondContact O-N 3.3Å
156	D	96.2	Very high	95.9	Very high	58 Å²	58	46.6 Å²	46.6	31%	0.31	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	121.3	168	-170.3	-24.8	0	0	0	109.3	K143 Y145 T158	K143-D156 IonicContact NZ-OD2 3.5Å; K143-D156 PolarHBondContact NZ-OD2 2.97Å; Y145-D156 HydrophobicContact CD1-CB 4.02Å; Y145-D156 HydrophobicContact CE1-CB 3.82Å; D156-T158 WeakPolarHBondContact OD1-CB 3.08Å; D156-T158 PolarHBondContact OD1-N 3.33Å; D156-T158 PolarHBondContact OD1-OG1 3.34Å
157	I	96.9	Very high	95.6	Very high	10 Å²	10	49 Å²	49	5%	0.051	24%	0.242	C	C	.	.			trans	-122.8	19.7	177.6	60.9	159.4	0	0	0	111.7	L125 L144 R146 K155 N159 L160 F207	L125-I157 HydrophobicContact CD2-CD1 4.22Å; L144-I157 HydrophobicContact CB-CG1 4.31Å; L144-I157 HydrophobicContact CD2-CD1 3.77Å; L144-I157 HydrophobicContact CD2-CG1 4Å; L144-I157 HydrophobicContact CG-CD1 4Å; L144-I157 HydrophobicContact CG-CG1 3.88Å; L144-I157 VanDerWaalsContact O-CG1 3.31Å; L144-I157 WeakPolarHBondContact O-CG1 3.33Å; L144-I157 PolarHBondContact O-N 2.68Å; R146-I157 HydrophobicContact CB-CD1 3.69Å; R146-I157 HydrophobicContact CB-CG1 4.1Å; R146-I157 HydrophobicContact CB-CG2 4.36Å; K155-I157 HydrophobicContact CD-CG2 4.39Å; K155-I157 HydrophobicContact CG-CG2 4.26Å; K155-I157 PolarHBondContact O-N 3.3Å; I157-N159 PolarHBondContact O-N 2.92Å; I157-N159 VanDerWaalsContact O-N 3.11Å; I157-N159 PolarHBondContact O-OD1 2.82Å; I157-L160 HydrophobicContact CB-CD1 3.97Å; I157-L160 HydrophobicContact CB-CG 4.19Å; I157-L160 HydrophobicContact CD1-CD1 4.31Å; I157-L160 HydrophobicContact CG2-CD1 4.4Å; I157-L160 WeakPolarHBondContact O-CB 3.42Å; I157-L160 PolarHBondContact O-N 2.94Å; I157-F207 HydrophobicContact CD1-CE2 4.16Å
158	T	95.3	Very high	95.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58.9	-24.8	-179.2	-50.4	0	0	0	0	112.6	S142 K143 L144 D156 L160 I161 N163	S142-T158 WeakPolarHBondContact O-CG2 3.26Å; K143-T158 WeakPolarHBondContact CA-OG1 3.48Å; K143-T158 HydrophobicContact CD-CG2 4.27Å; K143-T158 WeakPolarHBondContact CD-OG1 3.32Å; L144-T158 PolarHBondContact N-OG1 3.14Å; L144-T158 PolarHBondContact O-N 3.5Å; D156-T158 WeakPolarHBondContact OD1-CB 3.08Å; D156-T158 PolarHBondContact OD1-N 3.33Å; D156-T158 PolarHBondContact OD1-OG1 3.34Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 3.17Å; T158-I161 HydrophobicContact CG2-CD1 4.49Å; T158-I161 HydrophobicContact CG2-CG1 4.39Å; T158-I161 WeakPolarHBondContact O-CG1 3.35Å; T158-I161 PolarHBondContact O-N 3Å; T158-N163 HydrophobicContact CG2-CB 4.41Å; T158-N163 WeakPolarHBondContact CG2-ND2 3.44Å; T158-N163 PolarHBondContact O-N 2.93Å; T158-N163 VanDerWaalsContact O-N 3.1Å
159	N	95.5	Very high	94.9	Very high	105 Å²	105	52.4 Å²	52.4	56%	0.561	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.8	-27.5	173.2	66.9	-30.6	0	0	0	113.2	I157 I161 N162	I157-N159 PolarHBondContact O-N 2.92Å; I157-N159 VanDerWaalsContact O-N 3.11Å; I157-N159 PolarHBondContact O-OD1 2.82Å; N159-I161 PolarHBondContact O-N 3.27Å; N159-N162 PolarHBondContact O-N 2.9Å; N159-N162 VanDerWaalsContact O-N 3.12Å
160	L	96.8	Very high	94.7	Very high	51 Å²	51	50.7 Å²	50.7	27%	0.267	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-69.5	-21.1	177.2	-57	-174.1	0	0	0	112.9	I157 T158 K205 F207	I157-L160 HydrophobicContact CB-CD1 3.97Å; I157-L160 HydrophobicContact CB-CG 4.19Å; I157-L160 HydrophobicContact CD1-CD1 4.31Å; I157-L160 HydrophobicContact CG2-CD1 4.4Å; I157-L160 WeakPolarHBondContact O-CB 3.42Å; I157-L160 PolarHBondContact O-N 2.94Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 3.17Å; L160-K205 WeakPolarHBondContact CD1-O 3.45Å; L160-F207 HydrophobicContact CB-CB 4.36Å; L160-F207 HydrophobicContact CB-CD2 3.93Å; L160-F207 HydrophobicContact CD1-CD2 4.21Å
161	I	95.6	Very high	94.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-102	19.2	172.7	62.3	169.9	0	0	0	112.3	L144 T158 N159 N163 T164 I166 L184 F198 F207	L144-I161 HydrophobicContact CB-CD1 4.18Å; L144-I161 HydrophobicContact CD2-CG2 4.21Å; T158-I161 HydrophobicContact CG2-CD1 4.49Å; T158-I161 HydrophobicContact CG2-CG1 4.39Å; T158-I161 WeakPolarHBondContact O-CG1 3.35Å; T158-I161 PolarHBondContact O-N 3Å; N159-I161 PolarHBondContact O-N 3.27Å; I161-N163 PolarHBondContact O-N 2.85Å; I161-N163 VanDerWaalsContact O-N 3.09Å; I161-T164 VanDerWaalsContact O-CB 3.25Å; I161-T164 WeakPolarHBondContact O-CB 3.38Å; I161-T164 PolarHBondContact O-N 3.05Å; I161-T164 PolarHBondContact O-OG1 3.29Å; I161-I166 HydrophobicContact CD1-CD1 4.13Å; I161-I166 HydrophobicContact CD1-CG1 3.88Å; I161-L184 HydrophobicContact CG2-CD1 4Å; I161-F198 HydrophobicContact CB-CD1 4.22Å; I161-F198 HydrophobicContact CB-CD2 4.15Å; I161-F198 HydrophobicContact CB-CE1 4.39Å; I161-F198 HydrophobicContact CB-CE2 4.33Å; I161-F198 HydrophobicContact CB-CG 4.11Å; I161-F198 HydrophobicContact CB-CZ 4.45Å; I161-F198 HydrophobicContact CG2-CB 3.98Å; I161-F198 HydrophobicContact CG2-CD1 4.18Å; I161-F198 HydrophobicContact CG2-CD2 4.26Å; I161-F198 HydrophobicContact CG2-CG 3.88Å; I161-F198 VanDerWaalsContact O-CZ 3.29Å; I161-F198 WeakPolarHBondContact O-CZ 3.47Å; I161-F207 HydrophobicContact CG2-CD2 4.44Å; I161-F207 HydrophobicContact CG2-CG 4.33Å
162	N	93.4	Very high	94.5	Very high	106 Å²	106	50.8 Å²	50.8	57%	0.567	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.1	-178.2	-61.4	-38.9	0	0	0	114.1	N159 T164 Q209	N159-N162 PolarHBondContact O-N 2.9Å; N159-N162 VanDerWaalsContact O-N 3.12Å; N162-T164 PolarHBondContact O-N 2.99Å; N162-T164 VanDerWaalsContact O-N 3.15Å; N162-Q209 PolarHBondContact ND2-OE1 3.18Å
163	N	91.1	Very high	94.5	Very high	106 Å²	106	49.8 Å²	49.8	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	24.2	-171.9	-59.6	82.8	0	0	0	114.5	T158 I161	T158-N163 HydrophobicContact CG2-CB 4.41Å; T158-N163 WeakPolarHBondContact CG2-ND2 3.44Å; T158-N163 PolarHBondContact O-N 2.93Å; T158-N163 VanDerWaalsContact O-N 3.1Å; I161-N163 PolarHBondContact O-N 2.85Å; I161-N163 VanDerWaalsContact O-N 3.09Å
164	T	91.7	Very high	94.5	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.172	24%	0.242	C	C	.	.			trans	-71.8	144.5	179.6	-45.2	0	0	0	0	111	I161 N162 A186 F198	I161-T164 VanDerWaalsContact O-CB 3.25Å; I161-T164 WeakPolarHBondContact O-CB 3.38Å; I161-T164 PolarHBondContact O-N 3.05Å; I161-T164 PolarHBondContact O-OG1 3.29Å; N162-T164 PolarHBondContact O-N 2.99Å; N162-T164 VanDerWaalsContact O-N 3.15Å; T164-A186 HydrophobicContact CG2-CB 3.84Å; T164-F198 HydrophobicContact CG2-CE2 4.09Å; T164-F198 WeakPolarHBondContact OG1-CZ 3.26Å
165	F	92	Very high	94.4	Very high	18 Å²	18	47 Å²	47	8%	0.079	24%	0.243	C	C	.	.			trans	-69.4	134	173.6	-165.9	-109.7	0	0	0	112	T129 H131 G140 Q141 S142 A186 E187	T129-F165 HydrophobicContact CG2-CE2 4.24Å; T129-F165 HydrophobicContact CG2-CZ 4.4Å; H131-F165 AromaticContact CD2-CZ 3.99Å; H131-F165 AromaticContact CE1-CE1 3.84Å; H131-F165 AromaticContact CE1-CZ 3.49Å; H131-F165 VanDerWaalsContact CE1-CZ 3.49Å; H131-F165 WeakPolarHBondContact CE1-CZ 3.27Å; H131-F165 AromaticContact NE2-CE1 3.5Å; H131-F165 AromaticContact NE2-CZ 3.47Å; H131-F165 WeakPolarHBondContact NE2-CZ 3.36Å; G140-F165 VanDerWaalsContact CA-CD2 3.43Å; Q141-F165 WeakPolarHBondContact O-CE2 3.22Å; S142-F165 WeakPolarHBondContact OG-CA 3.16Å; S142-F165 WeakPolarHBondContact OG-CD2 3.44Å; F165-A186 CarbonylContact O-C 3.55Å; F165-A186 VanDerWaalsContact O-CA 3.32Å; F165-A186 WeakPolarHBondContact O-CA 3.35Å; F165-E187 HydrophobicContact CB-CB 4.43Å; F165-E187 HydrophobicContact CD1-CB 3.99Å; F165-E187 WeakPolarHBondContact CD1-OE2 3.31Å; F165-E187 PolarHBondContact O-N 3.01Å
166	I	94.1	Very high	94.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-107.4	134.9	179.8	-54.4	-55.8	0	0	0	109.5	L127 T129 S142 I161 T168 L184 T185 A186 F198	L127-I166 HydrophobicContact CD1-CB 4.11Å; L127-I166 HydrophobicContact CD1-CG1 4.12Å; L127-I166 HydrophobicContact CD1-CG2 4.38Å; L127-I166 HydrophobicContact CD2-CB 4.26Å; L127-I166 HydrophobicContact CD2-CG2 3.73Å; T129-I166 WeakPolarHBondContact CG2-O 3.29Å; S142-I166 PolarHBondContact OG-N 3.17Å; I161-I166 HydrophobicContact CD1-CD1 4.13Å; I161-I166 HydrophobicContact CD1-CG1 3.88Å; I166-T168 PolarHBondContact O-N 2.87Å; I166-L184 HydrophobicContact CD1-CB 4.16Å; I166-L184 HydrophobicContact CG2-CB 4.23Å; I166-T185 WeakPolarHBondContact CA-O 3.41Å; I166-T185 WeakPolarHBondContact CG2-O 3.41Å; I166-A186 HydrophobicContact CD1-CB 4.31Å; I166-F198 HydrophobicContact CD1-CD2 4.19Å
167	R	92.3	Very high	94.1	Very high	73 Å²	73	47.3 Å²	47.3	28%	0.275	25%	0.249	S	C	.	.			trans	-83.7	107.5	-179.6	-74.9	177.7	68.4	-174.6	1	110.6	E169 F170 T185 E187	R167-E169 HydrophobicContact CB-CG 4.27Å; R167-E169 IonicContact CZ-OE1 2.68Å; R167-E169 IonicContact CZ-OE2 2.77Å; R167-E169 IonicContact NE-OE1 2.72Å; R167-E169 IonicContact NE-OE2 2.74Å; R167-E169 PolarHBondContact NE-OE2 3.19Å; R167-E169 IonicContact NH2-OE1 3.59Å; R167-E169 PolarHBondContact NH2-OE1 3.31Å; R167-E169 IonicContact NH2-OE2 3.18Å; R167-E169 PolarHBondContact NH2-OE2 2.93Å; R167-E169 VanDerWaalsContact NH2-OE2 3.17Å; R167-E169 PolarHBondContact O-N 3.17Å; R167-F170 HydrophobicContact CB-CD2 3.78Å; R167-F170 HydrophobicContact CB-CE2 4.13Å; R167-F170 PolarHBondContact O-N 3.08Å; R167-T185 PolarHBondContact N-O 2.9Å; R167-E187 HydrophobicContact CG-CB 4.05Å
168	T	89.1	Confident	94	Very high	54 Å²	54	50.9 Å²	50.9	33%	0.331	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.2	-22.6	-176.8	39.8	0	0	0	0	114.6	T129 I166 F170 G171	T129-T168 HydrophobicContact CG2-CG2 3.56Å; T129-T168 VanDerWaalsContact OG1-CG2 3.29Å; T129-T168 WeakPolarHBondContact OG1-CG2 3.42Å; I166-T168 PolarHBondContact O-N 2.87Å; T168-F170 PolarHBondContact O-N 3.01Å; T168-G171 WeakPolarHBondContact O-CA 3.43Å; T168-G171 PolarHBondContact O-N 2.98Å
169	E	91.5	Very high	93.9	Very high	129 Å²	129	52.2 Å²	52.2	60%	0.603	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.3	174.4	71.2	-151.3	-86.8	0	0	113.8	R167	R167-E169 HydrophobicContact CB-CG 4.27Å; R167-E169 IonicContact CZ-OE1 2.68Å; R167-E169 IonicContact CZ-OE2 2.77Å; R167-E169 IonicContact NE-OE1 2.72Å; R167-E169 IonicContact NE-OE2 2.74Å; R167-E169 PolarHBondContact NE-OE2 3.19Å; R167-E169 IonicContact NH2-OE1 3.59Å; R167-E169 PolarHBondContact NH2-OE1 3.31Å; R167-E169 IonicContact NH2-OE2 3.18Å; R167-E169 PolarHBondContact NH2-OE2 2.93Å; R167-E169 VanDerWaalsContact NH2-OE2 3.17Å; R167-E169 PolarHBondContact O-N 3.17Å
170	F	93.7	Very high	94	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.039	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-97.7	-1.4	172.1	-56.9	-63.9	0	0	0	113.2	R167 T168 T185 P216 T218 Q219	R167-F170 HydrophobicContact CB-CD2 3.78Å; R167-F170 HydrophobicContact CB-CE2 4.13Å; R167-F170 PolarHBondContact O-N 3.08Å; T168-F170 PolarHBondContact O-N 3.01Å; F170-T185 HydrophobicContact CD2-CG2 3.46Å; F170-T185 VanDerWaalsContact CD2-CG2 3.46Å; F170-T185 HydrophobicContact CE2-CG2 3.67Å; F170-T185 HydrophobicContact CG-CG2 4.24Å; F170-P216 HydrophobicContact CE2-CG 4.4Å; F170-P216 HydrophobicContact CZ-CB 4.35Å; F170-P216 HydrophobicContact CZ-CG 4.18Å; F170-P216 WeakPolarHBondContact CZ-O 3.43Å; F170-T218 WeakPolarHBondContact CE1-O 3.48Å; F170-Q219 WeakPolarHBondContact O-CG 3.45Å; F170-Q219 PolarHBondContact O-NE2 3.08Å
171	G	93.4	Very high	94	Very high	19 Å²	19	45.5 Å²	45.5	20%	0.196	24%	0.241	C	C	.	.			trans	52.7	-144.6	-176.7	0	0	0	0	0	113.7	T168	T168-G171 WeakPolarHBondContact O-CA 3.43Å; T168-G171 PolarHBondContact O-N 2.98Å
172	M	96.5	Very high	94.1	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.059	24%	0.241	C	C	.	.			trans	-112.4	116.1	165.8	-59.3	-166.9	-93.6	0	0	107.8	S113 L125 L127 L144 I174 L184	S113-M172 WeakPolarHBondContact O-CE 3.17Å; L125-M172 HydrophobicContact CB-CE 3.97Å; L125-M172 HydrophobicContact CB-SD 3.82Å; L125-M172 HydrophobicContact CD1-SD 4.15Å; L127-M172 HydrophobicContact CB-CE 3.86Å; L127-M172 HydrophobicContact CB-CG 4.36Å; L127-M172 HydrophobicContact CB-SD 3.79Å; L127-M172 HydrophobicContact CD2-CG 4.04Å; L127-M172 HydrophobicContact CD2-SD 4.48Å; L144-M172 HydrophobicContact CD1-SD 4.27Å; M172-I174 HydrophobicContact CB-CD1 3.92Å; M172-I174 PolarHBondContact O-N 3.23Å; M172-I174 VanDerWaalsContact O-N 3.14Å; M172-L184 HydrophobicContact CB-CD2 3.93Å; M172-L184 HydrophobicContact CG-CD2 3.5Å; M172-L184 HydrophobicContact SD-CD2 3.96Å
173	A	97.3	Very high	94.4	Very high	7 Å²	7	40.6 Å²	40.6	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	93.4	-179.7	0	0	0	0	0	109.3	V183 Q219 Y222	A173-V183 HydrophobicContact CB-CB 4.21Å; A173-V183 PolarHBondContact N-O 3.39Å; A173-V183 PolarHBondContact O-N 2.91Å; A173-Q219 HydrophobicContact CB-CG 3.97Å; A173-Y222 HydrophobicContact CB-CE2 4.17Å; A173-Y222 WeakPolarHBondContact O-CE2 3.35Å; A173-Y222 PolarHBondContact O-OH 3.3Å
174	I	97.6	Very high	94.7	Very high	44 Å²	44	35.5 Å²	35.5	23%	0.226	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.2	178.1	-46	-53.4	0	0	0	110	V117 M172 V182 Y222	V117-I174 HydrophobicContact CG1-CG2 4.36Å; V117-I174 HydrophobicContact CG2-CD1 4.31Å; M172-I174 HydrophobicContact CB-CD1 3.92Å; M172-I174 PolarHBondContact O-N 3.23Å; M172-I174 VanDerWaalsContact O-N 3.14Å; I174-V182 HydrophobicContact CD1-CG1 4.06Å; I174-V182 HydrophobicContact CD1-CG2 4.09Å; I174-Y222 WeakPolarHBondContact O-CD2 3.41Å; I174-Y222 WeakPolarHBondContact O-CE2 3.32Å
175	G	95.8	Very high	95	Very high	9 Å²	9	34.5 Å²	34.5	9%	0.093	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-74.2	160.9	176.2	0	0	0	0	0	113.1	K181 Y222	G175-K181 PolarHBondContact N-O 3.15Å; G175-Y222 VanDerWaalsContact CA-CZ 3.47Å
176	P	94.5	Very high	95.1	Very high	40 Å²	40	33.8 Å²	33.8	26%	0.26	18%	0.179	S	C	.	.	S	Bend	trans	-66.1	151.9	179.4	28.6	-35.6	0	0	0	112	S179	P176-S179 WeakPolarHBondContact O-CB 3.47Å; P176-S179 PolarHBondContact O-N 3.23Å; P176-S179 PolarHBondContact O-OG 2.69Å
177	E	92.6	Very high	95	Very high	173 Å²	173	38.1 Å²	38.1	81%	0.808	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	-142.6	174.9	-53.8	-178.5	168.3	0	0	113	S179	E177-S179 PolarHBondContact O-N 2.91Å
178	N	93.7	Very high	94.9	Very high	84 Å²	84	36.2 Å²	36.2	45%	0.449	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	32.3	178.8	-70.5	3.1	0	0	0	112.3	G118 D119 G180 F203	G118-N178 VanDerWaalsContact CA-OD1 3.24Å; G118-N178 WeakPolarHBondContact CA-OD1 3.43Å; D119-N178 PolarHBondContact N-OD1 2.88Å; D119-N178 PolarHBondContact O-ND2 2.99Å; D119-N178 PolarHBondContact O-OD1 3.06Å; N178-G180 PolarHBondContact O-N 2.95Å; N178-F203 WeakPolarHBondContact O-CZ 3.49Å
179	S	94.9	Very high	94.7	Very high	30 Å²	30	38.4 Å²	38.4	21%	0.21	21%	0.213	C	C	.	.			trans	-65.9	-18.1	175.4	62.6	0	0	0	0	113.9	P176 E177 K181 S227	P176-S179 WeakPolarHBondContact O-CB 3.47Å; P176-S179 PolarHBondContact O-N 3.23Å; P176-S179 PolarHBondContact O-OG 2.69Å; E177-S179 PolarHBondContact O-N 2.91Å; S179-K181 PolarHBondContact O-N 2.58Å; S179-K181 VanDerWaalsContact O-N 3.16Å; S179-S227 WeakPolarHBondContact CB-OG 3.38Å
180	G	95.6	Very high	94.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	23%	0.227	C	C	.	.			trans	64.8	15.9	178.2	0	0	0	0	0	114.7	N178 S201 D202 F203	N178-G180 PolarHBondContact O-N 2.95Å; G180-S201 CarbonylContact O-C 3.16Å; G180-D202 PolarHBondContact O-N 3.29Å; G180-F203 VanDerWaalsContact CA-CD1 3.47Å; G180-F203 PolarHBondContact O-N 2.77Å
181	K	98.1	Very high	93.5	Very high	14 Å²	14	40.1 Å²	40.1	6%	0.061	27%	0.268	C	S	.	.			trans	-91.6	137.2	-174	-75.4	169.8	-169.4	176.2	0	112.1	G175 S179 S200 Y222 S227 D228 F245	G175-K181 PolarHBondContact N-O 3.15Å; S179-K181 PolarHBondContact O-N 2.58Å; S179-K181 VanDerWaalsContact O-N 3.16Å; K181-S200 CarbonylContact C-O 3.58Å; K181-S200 VanDerWaalsContact CA-O 3.29Å; K181-S200 WeakPolarHBondContact CA-O 3.02Å; K181-Y222 HydrophobicContact CB-CE1 3.81Å; K181-Y222 HydrophobicContact CD-CE1 4.38Å; K181-S227 WeakPolarHBondContact CD-O 3.39Å; K181-S227 VanDerWaalsContact NZ-C 3.25Å; K181-S227 PolarHBondContact NZ-O 3.37Å; K181-S227 PolarHBondContact NZ-OG 2.99Å; K181-D228 IonicContact NZ-OD1 2.75Å; K181-D228 PolarHBondContact NZ-OD1 2.72Å; K181-D228 IonicContact NZ-OD2 3.17Å; K181-D228 PolarHBondContact NZ-OD2 2.7Å; K181-F245 HydrophobicContact CB-CD2 4.45Å; K181-F245 HydrophobicContact CB-CE2 3.75Å; K181-F245 HydrophobicContact CB-CZ 3.78Å; K181-F245 HydrophobicContact CD-CD1 4.45Å; K181-F245 HydrophobicContact CD-CD2 3.85Å; K181-F245 HydrophobicContact CD-CE2 4.01Å; K181-F245 HydrophobicContact CD-CG 4.11Å; K181-F245 HydrophobicContact CD-CZ 4.39Å; K181-F245 HydrophobicContact CG-CD1 4.42Å; K181-F245 HydrophobicContact CG-CD2 4.23Å; K181-F245 HydrophobicContact CG-CE1 4.11Å; K181-F245 HydrophobicContact CG-CE2 3.92Å; K181-F245 HydrophobicContact CG-CG 4.49Å; K181-F245 HydrophobicContact CG-CZ 3.86Å
182	V	98.4	Very high	93.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.7	-179.6	-177.4	0	0	0	0	108.5	V117 L125 I174 L184 R199 S200 A204 F207	V117-V182 HydrophobicContact CG1-CG2 3.76Å; V117-V182 HydrophobicContact CG2-CG2 4.06Å; L125-V182 HydrophobicContact CD1-CB 4.46Å; L125-V182 HydrophobicContact CD1-CG1 3.71Å; L125-V182 HydrophobicContact CD1-CG2 4.02Å; I174-V182 HydrophobicContact CD1-CG1 4.06Å; I174-V182 HydrophobicContact CD1-CG2 4.09Å; V182-L184 HydrophobicContact CG1-CD2 4.17Å; V182-L184 HydrophobicContact CG1-CG 4.33Å; V182-R199 CarbonylContact O-C 3.56Å; V182-R199 WeakPolarHBondContact O-CA 3.3Å; V182-S200 PolarHBondContact N-O 2.77Å; V182-S200 PolarHBondContact O-N 3.47Å; V182-A204 HydrophobicContact CG2-CB 4.42Å; V182-F207 HydrophobicContact CB-CE1 4.34Å; V182-F207 HydrophobicContact CB-CZ 4.47Å; V182-F207 HydrophobicContact CG1-CE1 4.13Å; V182-F207 HydrophobicContact CG1-CZ 4.16Å
183	V	98.6	Very high	93.1	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.2	171.1	-178.6	0	0	0	0	110.2	A173 I197 F198 R199 M220 F245	A173-V183 HydrophobicContact CB-CB 4.21Å; A173-V183 PolarHBondContact N-O 3.39Å; A173-V183 PolarHBondContact O-N 2.91Å; V183-I197 HydrophobicContact CG1-CB 3.87Å; V183-I197 HydrophobicContact CG1-CD1 4.07Å; V183-I197 HydrophobicContact CG1-CG2 3.81Å; V183-F198 WeakPolarHBondContact CA-O 3.26Å; V183-R199 HydrophobicContact CG2-CB 4.06Å; V183-M220 HydrophobicContact CG1-SD 3.94Å; V183-F245 HydrophobicContact CG2-CD2 4.45Å; V183-F245 HydrophobicContact CG2-CE2 3.44Å; V183-F245 VanDerWaalsContact CG2-CE2 3.44Å; V183-F245 HydrophobicContact CG2-CZ 3.63Å
184	L	98.1	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.7	177.8	-54.2	175.4	0	0	0	108.8	L144 I161 I166 M172 V182 I197 F198 F207	L144-L184 HydrophobicContact CD1-CD1 4.49Å; L144-L184 HydrophobicContact CD2-CD1 3.75Å; I161-L184 HydrophobicContact CG2-CD1 4Å; I166-L184 HydrophobicContact CD1-CB 4.16Å; I166-L184 HydrophobicContact CG2-CB 4.23Å; M172-L184 HydrophobicContact CB-CD2 3.93Å; M172-L184 HydrophobicContact CG-CD2 3.5Å; M172-L184 HydrophobicContact SD-CD2 3.96Å; V182-L184 HydrophobicContact CG1-CD2 4.17Å; V182-L184 HydrophobicContact CG1-CG 4.33Å; L184-I197 CarbonylContact O-C 3.59Å; L184-I197 VanDerWaalsContact O-CA 3.31Å; L184-I197 WeakPolarHBondContact O-CA 3.31Å; L184-F198 HydrophobicContact CB-CB 4.43Å; L184-F198 PolarHBondContact N-O 2.9Å; L184-F198 PolarHBondContact O-N 3.29Å; L184-F207 HydrophobicContact CD1-CE1 3.8Å; L184-F207 HydrophobicContact CD1-CZ 3.9Å; L184-F207 HydrophobicContact CG-CE1 4.12Å
185	T	97.5	Very high	92.9	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.6	179.8	-55.1	0	0	0	0	110.6	I166 R167 F170 P216	I166-T185 WeakPolarHBondContact CA-O 3.41Å; I166-T185 WeakPolarHBondContact CG2-O 3.41Å; R167-T185 PolarHBondContact N-O 2.9Å; F170-T185 HydrophobicContact CD2-CG2 3.46Å; F170-T185 VanDerWaalsContact CD2-CG2 3.46Å; F170-T185 HydrophobicContact CE2-CG2 3.67Å; F170-T185 HydrophobicContact CG-CG2 4.24Å; T185-P216 HydrophobicContact CG2-CG 3.88Å
186	A	95	Very high	92.9	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	150.8	179.9	0	0	0	0	0	112.2	T164 F165 I166 R196 F198	T164-A186 HydrophobicContact CG2-CB 3.84Å; F165-A186 CarbonylContact O-C 3.55Å; F165-A186 VanDerWaalsContact O-CA 3.32Å; F165-A186 WeakPolarHBondContact O-CA 3.35Å; I166-A186 HydrophobicContact CD1-CB 4.31Å; A186-R196 HydrophobicContact CB-CB 4.13Å; A186-R196 HydrophobicContact CB-CG 4.09Å; A186-R196 PolarHBondContact N-O 3.35Å; A186-F198 HydrophobicContact CB-CD2 4.24Å; A186-F198 HydrophobicContact CB-CE2 3.97Å
187	E	90.8	Very high	93.1	Very high	90 Å²	90	50.9 Å²	50.9	42%	0.421	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-71.9	147.9	162.3	-168.4	176.9	-167.2	0	0	110.3	F165 R167	F165-E187 HydrophobicContact CB-CB 4.43Å; F165-E187 HydrophobicContact CD1-CB 3.99Å; F165-E187 WeakPolarHBondContact CD1-OE2 3.31Å; F165-E187 PolarHBondContact O-N 3.01Å; R167-E187 HydrophobicContact CG-CB 4.05Å
188	V	90.3	Very high	93.4	Very high	33 Å²	33	42.7 Å²	42.7	20%	0.2	26%	0.261	C	S	.	.			trans	-133.6	145.8	179.5	-65	0	0	0	0	110	R196	V188-R196 HydrophobicContact CG1-CB 3.61Å
189	S	84.6	Confident	93.6	Very high	100 Å²	100	41.2 Å²	41.2	70%	0.699	25%	0.25	S	C	*	.			trans	-61.4	143.5	-178.4	-49.7	0	0	0	0	112.1	G191 S192	S189-G191 PolarHBondContact O-N 2.9Å; S189-S192 VanDerWaalsContact O-CB 3.3Å; S189-S192 WeakPolarHBondContact O-CB 3.37Å; S189-S192 PolarHBondContact O-N 2.84Å; S189-S192 PolarHBondContact O-OG 2.81Å
190	G	79.6	Confident	93.8	Very high	87 Å²	87	39.9 Å²	39.9	90%	0.897	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	134.3	176.7	0	0	0	0	0	112.4
191	G	81.9	Confident	93.9	Very high	87 Å²	87	43.4 Å²	43.4	90%	0.897	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-2.4	-172.3	0	0	0	0	0	115.1	S189	S189-G191 PolarHBondContact O-N 2.9Å
192	S	89.7	Confident	93.8	Very high	44 Å²	44	44.9 Å²	44.9	31%	0.308	27%	0.273	S	S	.	.			trans	-60.8	140.6	169.5	-63.1	0	0	0	0	111.4	S189 G194 H215	S189-S192 VanDerWaalsContact O-CB 3.3Å; S189-S192 WeakPolarHBondContact O-CB 3.37Å; S189-S192 PolarHBondContact O-N 2.84Å; S189-S192 PolarHBondContact O-OG 2.81Å; S192-G194 PolarHBondContact O-N 2.85Å; S192-H215 PolarHBondContact O-CE1 2.78Å; S192-H215 PolarHBondContact O-NE2 2.74Å
193	R	90.6	Very high	93.8	Very high	232 Å²	232	47.4 Å²	47.4	88%	0.875	28%	0.284	S	S	*	.	S	Bend	trans	-63.6	-25.8	-178.3	-177.4	176.4	176.6	-172.9	-0.3	113.7
194	G	94.1	Very high	93.8	Very high	8 Å²	8	47.3 Å²	47.3	8%	0.082	28%	0.284	C	S	.	.	S	Bend	trans	-165.5	-178.1	177	0	0	0	0	0	110.2	S192 L212 F214 H215	S192-G194 PolarHBondContact O-N 2.85Å; G194-L212 WeakPolarHBondContact CA-O 3.3Å; G194-F214 WeakPolarHBondContact CA-O 3.48Å; G194-H215 PolarHBondContact O-CE1 2.58Å; G194-H215 VanDerWaalsContact O-CE1 3.27Å
195	G	95.9	Very high	93.7	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.031	31%	0.307	C	S	.	.			trans	-76.1	-173.7	177.7	0	0	0	0	0	113	L212 F214 H215	G195-L212 WeakPolarHBondContact O-CB 3.3Å; G195-L212 PolarHBondContact O-N 3.5Å; G195-F214 PolarHBondContact N-O 3.1Å; G195-H215 PolarHBondContact N-ND1 2.84Å
196	R	97.3	Very high	93.8	Very high	70 Å²	70	57.3 Å²	57.3	26%	0.264	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.7	177.3	173.1	177.5	-66.6	156.2	4.9	110.2	A186 V188 Q209 D211	A186-R196 HydrophobicContact CB-CB 4.13Å; A186-R196 HydrophobicContact CB-CG 4.09Å; A186-R196 PolarHBondContact N-O 3.35Å; V188-R196 HydrophobicContact CG1-CB 3.61Å; R196-Q209 HydrophobicContact CG-CG 3.94Å; R196-D211 IonicContact CZ-OD1 3.17Å; R196-D211 IonicContact NE-OD1 3.42Å; R196-D211 PolarHBondContact NE-OD1 2.79Å; R196-D211 IonicContact NH2-OD1 3.74Å; R196-D211 PolarHBondContact NH2-OD1 2.8Å; R196-D211 IonicContact NH2-OD2 3.87Å
197	I	98.2	Very high	93.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151	170.3	57.3	172.4	0	0	0	111.7	V183 L184 Q209 T210 L212 M220	V183-I197 HydrophobicContact CG1-CB 3.87Å; V183-I197 HydrophobicContact CG1-CD1 4.07Å; V183-I197 HydrophobicContact CG1-CG2 3.81Å; L184-I197 CarbonylContact O-C 3.59Å; L184-I197 VanDerWaalsContact O-CA 3.31Å; L184-I197 WeakPolarHBondContact O-CA 3.31Å; I197-Q209 CarbonylContact O-C 3.5Å; I197-Q209 WeakPolarHBondContact O-CA 3.27Å; I197-T210 PolarHBondContact N-O 2.7Å; I197-T210 PolarHBondContact O-N 2.86Å; I197-L212 HydrophobicContact CD1-CD2 4.16Å; I197-L212 HydrophobicContact CG1-CD2 4.13Å; I197-L212 HydrophobicContact CG2-CD1 4.23Å; I197-M220 HydrophobicContact CD1-CE 4.33Å; I197-M220 HydrophobicContact CD1-SD 4.16Å; I197-M220 HydrophobicContact CG2-CE 3.67Å; I197-M220 HydrophobicContact CG2-SD 4Å
198	F	98.4	Very high	94.3	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.6	158.4	-67.6	-87.4	0	0	0	108	I161 T164 I166 V183 L184 A186 F207 Q209	I161-F198 HydrophobicContact CB-CD1 4.22Å; I161-F198 HydrophobicContact CB-CD2 4.15Å; I161-F198 HydrophobicContact CB-CE1 4.39Å; I161-F198 HydrophobicContact CB-CE2 4.33Å; I161-F198 HydrophobicContact CB-CG 4.11Å; I161-F198 HydrophobicContact CB-CZ 4.45Å; I161-F198 HydrophobicContact CG2-CB 3.98Å; I161-F198 HydrophobicContact CG2-CD1 4.18Å; I161-F198 HydrophobicContact CG2-CD2 4.26Å; I161-F198 HydrophobicContact CG2-CG 3.88Å; I161-F198 VanDerWaalsContact O-CZ 3.29Å; I161-F198 WeakPolarHBondContact O-CZ 3.47Å; T164-F198 HydrophobicContact CG2-CE2 4.09Å; T164-F198 WeakPolarHBondContact OG1-CZ 3.26Å; I166-F198 HydrophobicContact CD1-CD2 4.19Å; V183-F198 WeakPolarHBondContact CA-O 3.26Å; L184-F198 HydrophobicContact CB-CB 4.43Å; L184-F198 PolarHBondContact N-O 2.9Å; L184-F198 PolarHBondContact O-N 3.29Å; A186-F198 HydrophobicContact CB-CD2 4.24Å; A186-F198 HydrophobicContact CB-CE2 3.97Å; F198-F207 HydrophobicContact CB-CB 4.39Å; F198-F207 HydrophobicContact CB-CD1 3.93Å; F198-F207 HydrophobicContact CB-CG 4.47Å; F198-Q209 HydrophobicContact CD1-CB 4.09Å; F198-Q209 HydrophobicContact CD1-CG 4.44Å; F198-Q209 HydrophobicContact CE1-CB 3.79Å; F198-Q209 HydrophobicContact CE1-CG 3.91Å; F198-Q209 HydrophobicContact CZ-CB 4.48Å; F198-Q209 HydrophobicContact CZ-CG 4.11Å
199	R	98.2	Very high	94.6	Very high	54 Å²	54	59.5 Å²	59.5	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.9	-175.8	53.3	174.3	-178	97.3	10.8	111.9	V182 V183 V208 T210 F245	V182-R199 CarbonylContact O-C 3.56Å; V182-R199 WeakPolarHBondContact O-CA 3.3Å; V183-R199 HydrophobicContact CG2-CB 4.06Å; R199-V208 HydrophobicContact CG-CB 4.38Å; R199-V208 VanDerWaalsContact CG-O 3.28Å; R199-V208 WeakPolarHBondContact CG-O 3.48Å; R199-V208 PolarHBondContact N-O 3.28Å; R199-V208 PolarHBondContact O-N 2.87Å; R199-T210 PolarHBondContact NE-OG1 2.86Å; R199-T210 PolarHBondContact NH2-OG1 2.86Å; R199-F245 HydrophobicContact CB-CD1 4.5Å; R199-F245 HydrophobicContact CB-CE1 3.76Å; R199-F245 HydrophobicContact CB-CZ 3.9Å; R199-F245 WeakPolarHBondContact CD-O 3.44Å; R199-F245 HydrophobicContact CG-CE1 4.44Å
200	S	98.4	Very high	95.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.2	173.1	163.9	0	0	0	0	109	K181 V182 D202 A204 N206 F245	K181-S200 CarbonylContact C-O 3.58Å; K181-S200 VanDerWaalsContact CA-O 3.29Å; K181-S200 WeakPolarHBondContact CA-O 3.02Å; V182-S200 PolarHBondContact N-O 2.77Å; V182-S200 PolarHBondContact O-N 3.47Å; S200-D202 PolarHBondContact OG-N 3.24Å; S200-D202 PolarHBondContact OG-OD1 2.77Å; S200-A204 WeakPolarHBondContact OG-CA 3.19Å; S200-A204 PolarHBondContact OG-N 3.48Å; S200-N206 WeakPolarHBondContact CA-O 3.4Å; S200-N206 WeakPolarHBondContact CB-O 3.38Å; S200-N206 PolarHBondContact OG-O 3.32Å; S200-F245 WeakPolarHBondContact O-CE1 3.25Å; S200-F245 WeakPolarHBondContact O-CZ 3.3Å
201	S	97.8	Very high	96.1	Very high	76 Å²	76	55.8 Å²	55.8	53%	0.531	30%	0.296	S	S	.	.	S	Bend	trans	-125.3	30.1	171.6	65.1	0	0	0	0	111.2	G180	G180-S201 CarbonylContact O-C 3.16Å
202	D	97.6	Very high	96.9	Very high	44 Å²	44	52.1 Å²	52.1	24%	0.235	26%	0.256	C	S	.	.	S	Bend	trans	-144.2	32.9	-171.2	71.7	-12.9	0	0	0	112.5	G180 S200 K205 N206	G180-D202 PolarHBondContact O-N 3.29Å; S200-D202 PolarHBondContact OG-N 3.24Å; S200-D202 PolarHBondContact OG-OD1 2.77Å; D202-K205 WeakPolarHBondContact O-CG 3.48Å; D202-K205 PolarHBondContact O-N 2.95Å; D202-K205 PolarHBondContact OD1-N 2.87Å; D202-K205 WeakPolarHBondContact OD2-CB 3.48Å; D202-N206 PolarHBondContact OD1-N 3.34Å; D202-N206 WeakPolarHBondContact OD2-CB 3.36Å; D202-N206 PolarHBondContact OD2-N 3.3Å; D202-N206 PolarHBondContact OD2-ND2 2.99Å
203	F	97.7	Very high	97.3	Very high	54 Å²	54	52.5 Å²	52.5	24%	0.237	26%	0.258	C	S	.	.	S	Bend	trans	60.3	42.9	-178	-54.2	-94.3	0	0	0	112.4	V117 T121 V123 R146 N178 G180 K205	V117-F203 HydrophobicContact CG1-CD1 3.94Å; V117-F203 VanDerWaalsContact O-CD1 3.28Å; V117-F203 WeakPolarHBondContact O-CD1 3.45Å; T121-F203 HydrophobicContact CG2-CD1 4.04Å; T121-F203 HydrophobicContact CG2-CE1 3.67Å; T121-F203 HydrophobicContact CG2-CZ 4.47Å; V123-F203 HydrophobicContact CG1-CB 4.44Å; V123-F203 HydrophobicContact CG2-CB 4.28Å; R146-F203 PolarHBondContact NE-O 2.83Å; R146-F203 PolarHBondContact NH2-O 2.98Å; N178-F203 WeakPolarHBondContact O-CZ 3.49Å; G180-F203 VanDerWaalsContact CA-CD1 3.47Å; G180-F203 PolarHBondContact O-N 2.77Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 2.73Å
204	A	97.8	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	59.5	32.4	179.8	0	0	0	0	0	115	L125 R146 V182 S200 F207	L125-A204 HydrophobicContact CD1-CB 3.86Å; L125-A204 HydrophobicContact CD2-CB 3.73Å; L125-A204 HydrophobicContact CG-CB 4.21Å; R146-A204 VanDerWaalsContact CD-O 3.3Å; R146-A204 WeakPolarHBondContact CD-O 3.2Å; V182-A204 HydrophobicContact CG2-CB 4.42Å; S200-A204 WeakPolarHBondContact OG-CA 3.19Å; S200-A204 PolarHBondContact OG-N 3.48Å; A204-F207 HydrophobicContact CB-CE2 3.7Å; A204-F207 HydrophobicContact CB-CZ 3.71Å
205	K	97.6	Very high	97.8	Very high	112 Å²	112	44.3 Å²	44.3	49%	0.487	23%	0.227	S	C	.	.	S	Bend	trans	-83.8	-34	172.8	-68.9	177	179	-179.5	0	111.8	E148 L160 D202 F203	E148-K205 WeakPolarHBondContact OE2-CE 3.04Å; E148-K205 IonicContact OE2-NZ 2.68Å; L160-K205 WeakPolarHBondContact CD1-O 3.45Å; D202-K205 WeakPolarHBondContact O-CG 3.48Å; D202-K205 PolarHBondContact O-N 2.95Å; D202-K205 PolarHBondContact OD1-N 2.87Å; D202-K205 WeakPolarHBondContact OD2-CB 3.48Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 2.73Å
206	N	97.8	Very high	97.8	Very high	105 Å²	105	44.3 Å²	44.3	56%	0.561	23%	0.226	S	C	*	.	S	Bend	trans	-135.8	137.4	172.6	-61.3	-88.7	0	0	0	110.4	S200 D202	S200-N206 WeakPolarHBondContact CA-O 3.4Å; S200-N206 WeakPolarHBondContact CB-O 3.38Å; S200-N206 PolarHBondContact OG-O 3.32Å; D202-N206 PolarHBondContact OD1-N 3.34Å; D202-N206 WeakPolarHBondContact OD2-CB 3.36Å; D202-N206 PolarHBondContact OD2-N 3.3Å; D202-N206 PolarHBondContact OD2-ND2 2.99Å
207	F	98.3	Very high	97.8	Very high	25 Å²	25	45.3 Å²	45.3	11%	0.11	24%	0.236	C	C	.	.			trans	-111.8	138.2	172.3	-78.2	-86.3	0	0	0	111	L144 I157 L160 I161 V182 L184 F198 A204	L144-F207 HydrophobicContact CD2-CE2 3.88Å; L144-F207 HydrophobicContact CD2-CZ 4.11Å; I157-F207 HydrophobicContact CD1-CE2 4.16Å; L160-F207 HydrophobicContact CB-CB 4.36Å; L160-F207 HydrophobicContact CB-CD2 3.93Å; L160-F207 HydrophobicContact CD1-CD2 4.21Å; I161-F207 HydrophobicContact CG2-CD2 4.44Å; I161-F207 HydrophobicContact CG2-CG 4.33Å; V182-F207 HydrophobicContact CB-CE1 4.34Å; V182-F207 HydrophobicContact CB-CZ 4.47Å; V182-F207 HydrophobicContact CG1-CE1 4.13Å; V182-F207 HydrophobicContact CG1-CZ 4.16Å; L184-F207 HydrophobicContact CD1-CE1 3.8Å; L184-F207 HydrophobicContact CD1-CZ 3.9Å; L184-F207 HydrophobicContact CG-CE1 4.12Å; F198-F207 HydrophobicContact CB-CB 4.39Å; F198-F207 HydrophobicContact CB-CD1 3.93Å; F198-F207 HydrophobicContact CB-CG 4.47Å; A204-F207 HydrophobicContact CB-CE2 3.7Å; A204-F207 HydrophobicContact CB-CZ 3.71Å
208	V	98.1	Very high	97.8	Very high	76 Å²	76	47.4 Å²	47.4	46%	0.461	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.9	173	-179.7	0	0	0	0	108.3	R199	R199-V208 HydrophobicContact CG-CB 4.38Å; R199-V208 VanDerWaalsContact CG-O 3.28Å; R199-V208 WeakPolarHBondContact CG-O 3.48Å; R199-V208 PolarHBondContact N-O 3.28Å; R199-V208 PolarHBondContact O-N 2.87Å
209	Q	98	Very high	97.7	Very high	70 Å²	70	51 Å²	51	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	142.3	171.4	-169.5	-179.3	-62.6	0	0	110	N162 R196 I197 F198	N162-Q209 PolarHBondContact ND2-OE1 3.18Å; R196-Q209 HydrophobicContact CG-CG 3.94Å; I197-Q209 CarbonylContact O-C 3.5Å; I197-Q209 WeakPolarHBondContact O-CA 3.27Å; F198-Q209 HydrophobicContact CD1-CB 4.09Å; F198-Q209 HydrophobicContact CD1-CG 4.44Å; F198-Q209 HydrophobicContact CE1-CB 3.79Å; F198-Q209 HydrophobicContact CE1-CG 3.91Å; F198-Q209 HydrophobicContact CZ-CB 4.48Å; F198-Q209 HydrophobicContact CZ-CG 4.11Å
210	T	98	Very high	97.7	Very high	19 Å²	19	48.6 Å²	48.6	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	122	168.8	-59.3	0	0	0	0	109.7	I197 R199	I197-T210 PolarHBondContact N-O 2.7Å; I197-T210 PolarHBondContact O-N 2.86Å; R199-T210 PolarHBondContact NE-OG1 2.86Å; R199-T210 PolarHBondContact NH2-OG1 2.86Å
211	D	97.6	Very high	97.7	Very high	90 Å²	90	53 Å²	53	48%	0.481	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.6	173	-62.8	-71.7	0	0	0	109.7	R196	R196-D211 IonicContact CZ-OD1 3.17Å; R196-D211 IonicContact NE-OD1 3.42Å; R196-D211 PolarHBondContact NE-OD1 2.79Å; R196-D211 IonicContact NH2-OD1 3.74Å; R196-D211 PolarHBondContact NH2-OD1 2.8Å; R196-D211 IonicContact NH2-OD2 3.87Å
212	L	98	Very high	97.7	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	26%	0.258	C	S	.	.			trans	-91.4	150.5	-173.9	-58.7	177.5	0	0	0	111.3	G194 G195 I197 F214 P216 M220 W249	G194-L212 WeakPolarHBondContact CA-O 3.3Å; G195-L212 WeakPolarHBondContact O-CB 3.3Å; G195-L212 PolarHBondContact O-N 3.5Å; I197-L212 HydrophobicContact CD1-CD2 4.16Å; I197-L212 HydrophobicContact CG1-CD2 4.13Å; I197-L212 HydrophobicContact CG2-CD1 4.23Å; L212-F214 HydrophobicContact CB-CD1 4.41Å; L212-F214 HydrophobicContact CB-CE1 4.48Å; L212-F214 VanDerWaalsContact CB-O 3.27Å; L212-F214 WeakPolarHBondContact CB-O 3.2Å; L212-F214 HydrophobicContact CD1-CZ 4.38Å; L212-F214 PolarHBondContact O-N 3.29Å; L212-P216 HydrophobicContact CD1-CG 4.25Å; L212-M220 HydrophobicContact CD1-CE 3.65Å; L212-M220 HydrophobicContact CD2-CE 4.02Å; L212-M220 HydrophobicContact CG-CE 4.5Å; L212-W249 VanDerWaalsContact CD2-NE1 3.29Å
213	P	97.6	Very high	97.7	Very high	53 Å²	53	48.5 Å²	48.5	34%	0.344	25%	0.247	S	C	.	.	S	Bend	trans	-77.7	0.3	171.2	30	-30.6	0	0	0	113.8	W240 W249	P213-W240 HydrophobicContact CB-CH2 3.94Å; P213-W240 HydrophobicContact CB-CZ3 3.95Å; P213-W240 HydrophobicContact CG-CE3 3.96Å; P213-W240 HydrophobicContact CG-CH2 3.92Å; P213-W240 HydrophobicContact CG-CZ3 3.44Å; P213-W240 VanDerWaalsContact CG-CZ3 3.44Å; P213-W249 HydrophobicContact CG-CB 3.98Å
214	F	97.7	Very high	97.6	Very high	10 Å²	10	50.1 Å²	50.1	4%	0.044	26%	0.263	C	S	.	.	S	Bend	trans	-145.8	161.4	-178.9	66.7	-81.8	0	0	0	111.1	G194 G195 L212 P216 M220 A232 W240 W249	G194-F214 WeakPolarHBondContact CA-O 3.48Å; G195-F214 PolarHBondContact N-O 3.1Å; L212-F214 HydrophobicContact CB-CD1 4.41Å; L212-F214 HydrophobicContact CB-CE1 4.48Å; L212-F214 VanDerWaalsContact CB-O 3.27Å; L212-F214 WeakPolarHBondContact CB-O 3.2Å; L212-F214 HydrophobicContact CD1-CZ 4.38Å; L212-F214 PolarHBondContact O-N 3.29Å; F214-P216 HydrophobicContact CE2-CB 4.1Å; F214-M220 HydrophobicContact CZ-CE 4.45Å; F214-A232 HydrophobicContact CE2-CB 4.13Å; F214-A232 HydrophobicContact CZ-CB 4.11Å; F214-W240 HydrophobicContact CB-CD2 4.29Å; F214-W240 HydrophobicContact CB-CZ2 3.89Å; F214-W240 HydrophobicContact CD1-CB 4.07Å; F214-W240 AromaticContact CD1-CD1 3.86Å; F214-W240 AromaticContact CD1-CD2 3.38Å; F214-W240 HydrophobicContact CD1-CD2 3.38Å; F214-W240 AromaticContact CD1-CE2 3.7Å; F214-W240 AromaticContact CD1-CE3 3.8Å; F214-W240 HydrophobicContact CD1-CE3 3.8Å; F214-W240 AromaticContact CD1-CG 3.51Å; F214-W240 HydrophobicContact CD1-CG 3.51Å; F214-W240 HydrophobicContact CD1-CZ2 4.33Å; F214-W240 HydrophobicContact CD1-CZ3 4.42Å; F214-W240 AromaticContact CD1-NE1 4Å; F214-W240 AromaticContact CD2-CD1 3.96Å; F214-W240 HydrophobicContact CD2-CG 4.3Å; F214-W240 HydrophobicContact CE1-CB 3.61Å; F214-W240 AromaticContact CE1-CD2 3.85Å; F214-W240 HydrophobicContact CE1-CD2 3.85Å; F214-W240 HydrophobicContact CE1-CE3 4.19Å; F214-W240 AromaticContact CE1-CG 3.6Å; F214-W240 HydrophobicContact CE1-CG 3.6Å; F214-W240 HydrophobicContact CE2-CB 4.42Å; F214-W240 HydrophobicContact CE2-CG 4.36Å; F214-W240 AromaticContact CG-CD1 3.74Å; F214-W240 AromaticContact CG-CD2 3.93Å; F214-W240 HydrophobicContact CG-CD2 3.93Å; F214-W240 AromaticContact CG-CE2 3.81Å; F214-W240 AromaticContact CG-CG 3.89Å; F214-W240 HydrophobicContact CG-CG 3.89Å; F214-W240 HydrophobicContact CG-CZ2 4.44Å; F214-W240 AromaticContact CG-NE1 3.73Å; F214-W240 HydrophobicContact CZ-CB 3.81Å; F214-W240 HydrophobicContact CZ-CG 4.05Å; F214-W249 HydrophobicContact CE1-CB 4.1Å; F214-W249 AromaticContact CE1-CD2 3.81Å; F214-W249 HydrophobicContact CE1-CD2 3.81Å; F214-W249 AromaticContact CE1-CE3 3.97Å; F214-W249 HydrophobicContact CE1-CE3 3.97Å; F214-W249 AromaticContact CE1-CG 3.87Å; F214-W249 HydrophobicContact CE1-CG 3.87Å; F214-W249 HydrophobicContact CZ-CD2 4.18Å; F214-W249 HydrophobicContact CZ-CE3 4.07Å; F214-W249 HydrophobicContact CZ-CZ3 4.35Å
215	H	97.6	Very high	97.4	Very high	58 Å²	58	56.4 Å²	56.4	27%	0.269	29%	0.292	S	S	.	.			trans	-89	124.4	167	-71.4	-73.8	0	0	0	109.9	S192 G194 G195 S234 T235	S192-H215 PolarHBondContact O-CE1 2.78Å; S192-H215 PolarHBondContact O-NE2 2.74Å; G194-H215 PolarHBondContact O-CE1 2.58Å; G194-H215 VanDerWaalsContact O-CE1 3.27Å; G195-H215 PolarHBondContact N-ND1 2.84Å; H215-S234 CarbonylContact O-C 3.57Å; H215-S234 WeakPolarHBondContact O-CA 3.35Å; H215-T235 HydrophobicContact CB-CG2 3.98Å; H215-T235 PolarHBondContact O-N 2.96Å
216	P	97.4	Very high	97.4	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.019	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-71.8	141.2	-179.5	29	-33.7	0	0	0	111.7	F170 T185 L212 F214	F170-P216 HydrophobicContact CE2-CG 4.4Å; F170-P216 HydrophobicContact CZ-CB 4.35Å; F170-P216 HydrophobicContact CZ-CG 4.18Å; F170-P216 WeakPolarHBondContact CZ-O 3.43Å; T185-P216 HydrophobicContact CG2-CG 3.88Å; L212-P216 HydrophobicContact CD1-CG 4.25Å; F214-P216 HydrophobicContact CE2-CB 4.1Å
217	L	97	Very high	97.3	Very high	90 Å²	90	49.1 Å²	49.1	47%	0.471	26%	0.261	S	S	.	.	S	Bend	trans	-104.8	-29.8	172.6	178.9	62.7	0	0	0	112	L233 T235	L217-L233 PolarHBondContact N-O 3.41Å; L217-T235 HydrophobicContact CB-CG2 4.39Å
218	T	96.8	Very high	97.3	Very high	45 Å²	45	51 Å²	51	28%	0.276	27%	0.272	S	S	.	.	S	Bend	trans	-114.8	163.5	178.4	62.6	0	0	0	0	111.4	F170 L233	F170-T218 WeakPolarHBondContact CE1-O 3.48Å; T218-L233 HydrophobicContact CG2-CB 3.99Å; T218-L233 HydrophobicContact CG2-CD1 4.08Å; T218-L233 HydrophobicContact CG2-CG 4.14Å; T218-L233 PolarHBondContact OG1-N 3Å; T218-L233 VanDerWaalsContact OG1-N 3.13Å
219	Q	97.4	Very high	97.3	Very high	76 Å²	76	50.3 Å²	50.3	36%	0.355	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-56.4	151.2	160.5	-168.5	179.8	55.7	0	0	109.8	F170 A173 M221	F170-Q219 WeakPolarHBondContact O-CG 3.45Å; F170-Q219 PolarHBondContact O-NE2 3.08Å; A173-Q219 HydrophobicContact CB-CG 3.97Å; Q219-M221 PolarHBondContact O-N 2.9Å
220	M	97.9	Very high	97.3	Very high	4 Å²	4	47 Å²	47	2%	0.02	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-79.2	117.4	175.1	-65.4	-175.5	169.9	0	0	109.8	V183 I197 L212 F214 L230 A232 W249	V183-M220 HydrophobicContact CG1-SD 3.94Å; I197-M220 HydrophobicContact CD1-CE 4.33Å; I197-M220 HydrophobicContact CD1-SD 4.16Å; I197-M220 HydrophobicContact CG2-CE 3.67Å; I197-M220 HydrophobicContact CG2-SD 4Å; L212-M220 HydrophobicContact CD1-CE 3.65Å; L212-M220 HydrophobicContact CD2-CE 4.02Å; L212-M220 HydrophobicContact CG-CE 4.5Å; F214-M220 HydrophobicContact CZ-CE 4.45Å; M220-L230 HydrophobicContact SD-CD1 4.37Å; M220-A232 HydrophobicContact CG-CB 4.15Å; M220-W249 HydrophobicContact CE-CH2 3.85Å; M220-W249 HydrophobicContact CE-CZ2 3.48Å; M220-W249 VanDerWaalsContact CE-CZ2 3.48Å; M220-W249 HydrophobicContact CG-CH2 4.09Å; M220-W249 HydrophobicContact CG-CZ2 4.46Å; M220-W249 HydrophobicContact SD-CH2 3.68Å; M220-W249 HydrophobicContact SD-CZ2 3.46Å; M220-W249 WeakPolarHBondContact SD-CZ2 3.36Å
221	M	98	Very high	97.4	Very high	93 Å²	93	46.2 Å²	46.2	46%	0.458	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.8	-177	-59.1	-59.1	-68.3	0	0	110.3	Q219 L230 L231 W261	Q219-M221 PolarHBondContact O-N 2.9Å; M221-L230 WeakPolarHBondContact O-CA 3.12Å; M221-L231 HydrophobicContact CB-CD1 4.08Å; M221-L231 HydrophobicContact CB-CG 4.23Å; M221-L231 HydrophobicContact CG-CD1 4.3Å; M221-L231 PolarHBondContact N-O 2.97Å; M221-L231 PolarHBondContact O-N 2.91Å; M221-W261 PolarHBondContact O-NE1 3.16Å
222	Y	98.3	Very high	97.4	Very high	25 Å²	25	42 Å²	42	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	145.3	171	-64.7	-99.4	0	0	0	111.2	A173 I174 G175 K181 S227 Y229 L230 F245 W261	A173-Y222 HydrophobicContact CB-CE2 4.17Å; A173-Y222 WeakPolarHBondContact O-CE2 3.35Å; A173-Y222 PolarHBondContact O-OH 3.3Å; I174-Y222 WeakPolarHBondContact O-CD2 3.41Å; I174-Y222 WeakPolarHBondContact O-CE2 3.32Å; G175-Y222 VanDerWaalsContact CA-CZ 3.47Å; K181-Y222 HydrophobicContact CB-CE1 3.81Å; K181-Y222 HydrophobicContact CD-CE1 4.38Å; Y222-S227 WeakPolarHBondContact CD1-O 3.13Å; Y222-Y229 WeakPolarHBondContact CA-O 3.5Å; Y222-L230 HydrophobicContact CD1-CD2 3.37Å; Y222-L230 HydrophobicContact CD2-CD2 4.16Å; Y222-L230 HydrophobicContact CE1-CD2 3.63Å; Y222-L230 HydrophobicContact CE2-CD2 4.35Å; Y222-L230 HydrophobicContact CG-CD2 3.68Å; Y222-F245 HydrophobicContact CE1-CD2 4.11Å; Y222-F245 AromaticContact CE1-CE2 3.72Å; Y222-F245 HydrophobicContact CE1-CE2 3.72Å; Y222-W261 VanDerWaalsContact C-CD1 3.48Å; Y222-W261 VanDerWaalsContact C-NE1 3.25Å; Y222-W261 PolarHBondContact O-NE1 2.93Å
223	S	97.8	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.3	165.9	-159.4	0	0	0	0	109.6	Q225 N226 Y229 N265	S223-Q225 PolarHBondContact O-N 3.21Å; S223-N226 WeakPolarHBondContact CB-O 3.46Å; S223-N226 CarbonylContact O-C 3.56Å; S223-N226 PolarHBondContact O-N 3.26Å; S223-Y229 PolarHBondContact N-O 2.68Å; S223-N265 PolarHBondContact OG-OD1 2.89Å
224	P	94.3	Very high	97.4	Very high	89 Å²	89	39.5 Å²	39.5	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-36.2	178.4	-26.1	34.8	0	0	0	112.9
225	Q	94.1	Very high	97.3	Very high	131 Å²	131	42.9 Å²	42.9	61%	0.612	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-20.6	-176.8	-163.9	60.2	66.5	0	0	113.7	S223	S223-Q225 PolarHBondContact O-N 3.21Å
226	N	96.9	Very high	97.3	Very high	43 Å²	43	47.2 Å²	47.2	23%	0.23	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	108.4	179.8	-171.2	-14.3	0	0	0	112.1	S223 D228 Y229 N265	S223-N226 WeakPolarHBondContact CB-O 3.46Å; S223-N226 CarbonylContact O-C 3.56Å; S223-N226 PolarHBondContact O-N 3.26Å; N226-D228 PolarHBondContact O-N 3.11Å; N226-D228 WeakPolarHBondContact OD1-CB 2.98Å; N226-D228 PolarHBondContact OD1-N 2.77Å; N226-Y229 HydrophobicContact CB-CD2 3.76Å; N226-Y229 HydrophobicContact CB-CE2 4.09Å; N226-Y229 HydrophobicContact CB-CG 4.1Å; N226-Y229 WeakPolarHBondContact ND2-CE1 3.41Å; N226-Y229 WeakPolarHBondContact ND2-CE2 3.39Å; N226-Y229 PolarHBondContact O-N 3.32Å; N226-N265 WeakPolarHBondContact CB-OD1 3.35Å
227	S	96.7	Very high	97.3	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-6.4	-179.8	66.1	0	0	0	0	115.1	S179 K181 Y222	S179-S227 WeakPolarHBondContact CB-OG 3.38Å; K181-S227 WeakPolarHBondContact CD-O 3.39Å; K181-S227 VanDerWaalsContact NZ-C 3.25Å; K181-S227 PolarHBondContact NZ-O 3.37Å; K181-S227 PolarHBondContact NZ-OG 2.99Å; Y222-S227 WeakPolarHBondContact CD1-O 3.13Å
228	D	97.9	Very high	97.3	Very high	65 Å²	65	44.6 Å²	44.6	35%	0.348	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-12.4	167.3	-74.8	-55.6	0	0	0	113.5	K181 N226 N244 F245	K181-D228 IonicContact NZ-OD1 2.75Å; K181-D228 PolarHBondContact NZ-OD1 2.72Å; K181-D228 IonicContact NZ-OD2 3.17Å; K181-D228 PolarHBondContact NZ-OD2 2.7Å; N226-D228 PolarHBondContact O-N 3.11Å; N226-D228 WeakPolarHBondContact OD1-CB 2.98Å; N226-D228 PolarHBondContact OD1-N 2.77Å; D228-N244 PolarHBondContact O-N 3.08Å; D228-F245 WeakPolarHBondContact O-CA 3.41Å; D228-F245 PolarHBondContact O-N 3.19Å; D228-F245 WeakPolarHBondContact OD1-CB 3.27Å
229	Y	98.5	Very high	97.4	Very high	61 Å²	61	42.5 Å²	42.5	24%	0.239	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.4	-178.2	-62.6	-10.6	0	0	0	110.4	Y222 S223 N226 S242 K243 N265 L292	Y222-Y229 WeakPolarHBondContact CA-O 3.5Å; S223-Y229 PolarHBondContact N-O 2.68Å; N226-Y229 HydrophobicContact CB-CD2 3.76Å; N226-Y229 HydrophobicContact CB-CE2 4.09Å; N226-Y229 HydrophobicContact CB-CG 4.1Å; N226-Y229 WeakPolarHBondContact ND2-CE1 3.41Å; N226-Y229 WeakPolarHBondContact ND2-CE2 3.39Å; N226-Y229 PolarHBondContact O-N 3.32Å; Y229-S242 WeakPolarHBondContact CA-O 3.37Å; Y229-K243 HydrophobicContact CD1-CB 4.39Å; Y229-K243 HydrophobicContact CE1-CB 4.24Å; Y229-N265 HydrophobicContact CD2-CB 4.01Å; Y229-N265 VanDerWaalsContact CD2-OD1 3.28Å; Y229-N265 WeakPolarHBondContact CD2-OD1 3.17Å; Y229-N265 HydrophobicContact CE2-CB 4.32Å; Y229-L292 HydrophobicContact CD1-CD1 4.49Å; Y229-L292 HydrophobicContact CD2-CD1 3.72Å; Y229-L292 HydrophobicContact CD2-CD2 4.49Å; Y229-L292 HydrophobicContact CE1-CD1 4.33Å; Y229-L292 HydrophobicContact CE2-CD1 3.55Å; Y229-L292 HydrophobicContact CG-CD1 4.21Å
230	L	98.7	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.8	178.9	-56.5	-179.6	0	0	0	110	M220 M221 Y222 V241 S242 F245 W249	M220-L230 HydrophobicContact SD-CD1 4.37Å; M221-L230 WeakPolarHBondContact O-CA 3.12Å; Y222-L230 HydrophobicContact CD1-CD2 3.37Å; Y222-L230 HydrophobicContact CD2-CD2 4.16Å; Y222-L230 HydrophobicContact CE1-CD2 3.63Å; Y222-L230 HydrophobicContact CE2-CD2 4.35Å; Y222-L230 HydrophobicContact CG-CD2 3.68Å; L230-V241 CarbonylContact O-C 3.2Å; L230-V241 WeakPolarHBondContact O-CA 3.33Å; L230-S242 PolarHBondContact N-O 3.09Å; L230-S242 VanDerWaalsContact N-O 3.12Å; L230-S242 PolarHBondContact O-N 3.36Å; L230-F245 HydrophobicContact CD1-CD2 4.17Å; L230-W249 HydrophobicContact CB-CH2 3.54Å; L230-W249 HydrophobicContact CB-CZ2 4.27Å; L230-W249 HydrophobicContact CB-CZ3 4.1Å; L230-W249 HydrophobicContact CD1-CH2 4Å; L230-W249 HydrophobicContact CD1-CZ2 3.96Å; L230-W249 HydrophobicContact CG-CH2 4.44Å
231	L	98.3	Very high	97.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.3	163.1	71.8	77.7	0	0	0	111.5	M221 L239 W240 V241 A259 W261 I267	M221-L231 HydrophobicContact CB-CD1 4.08Å; M221-L231 HydrophobicContact CB-CG 4.23Å; M221-L231 HydrophobicContact CG-CD1 4.3Å; M221-L231 PolarHBondContact N-O 2.97Å; M221-L231 PolarHBondContact O-N 2.91Å; L231-L239 HydrophobicContact CB-CD1 4.26Å; L231-L239 HydrophobicContact CD1-CD1 4.32Å; L231-W240 VanDerWaalsContact CA-O 3.3Å; L231-W240 WeakPolarHBondContact CA-O 3.42Å; L231-V241 HydrophobicContact CB-CG2 4.21Å; L231-A259 HydrophobicContact CD1-CB 4.1Å; L231-W261 HydrophobicContact CB-CZ2 4.07Å; L231-W261 HydrophobicContact CD2-CD2 3.85Å; L231-W261 HydrophobicContact CD2-CG 4.07Å; L231-W261 HydrophobicContact CD2-CZ2 4.05Å; L231-W261 HydrophobicContact CG-CZ2 4.17Å; L231-I267 HydrophobicContact CD2-CD1 4.25Å; L231-I267 HydrophobicContact CD2-CG1 4.15Å; L231-I267 HydrophobicContact CD2-CG2 3.75Å
232	A	98.4	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.9	172.6	0	0	0	0	0	111	F214 M220 W240 W249	F214-A232 HydrophobicContact CE2-CB 4.13Å; F214-A232 HydrophobicContact CZ-CB 4.11Å; M220-A232 HydrophobicContact CG-CB 4.15Å; A232-W240 PolarHBondContact N-O 3.06Å; A232-W240 PolarHBondContact O-N 2.9Å; A232-W249 HydrophobicContact CB-CH2 4.48Å; A232-W249 HydrophobicContact CB-CZ3 4.29Å
233	L	98.3	Very high	97.5	Very high	10 Å²	10	38 Å²	38	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	144.3	166.3	-58.3	-177.8	0	0	0	110.4	L217 T218 G238 L239 V256 A259	L217-L233 PolarHBondContact N-O 3.41Å; T218-L233 HydrophobicContact CG2-CB 3.99Å; T218-L233 HydrophobicContact CG2-CD1 4.08Å; T218-L233 HydrophobicContact CG2-CG 4.14Å; T218-L233 PolarHBondContact OG1-N 3Å; T218-L233 VanDerWaalsContact OG1-N 3.13Å; L233-G238 CarbonylContact C-O 3.53Å; L233-G238 WeakPolarHBondContact CA-O 3.46Å; L233-L239 HydrophobicContact CD2-CB 4.11Å; L233-L239 HydrophobicContact CD2-CD1 3.92Å; L233-V256 HydrophobicContact CD2-CB 4.02Å; L233-V256 HydrophobicContact CD2-CG1 3.66Å; L233-A259 HydrophobicContact CD2-CB 4.26Å
234	S	97.9	Very high	97.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-88.6	164.7	169	75.4	0	0	0	0	112.2	H215 E236 N237 G238	H215-S234 CarbonylContact O-C 3.57Å; H215-S234 WeakPolarHBondContact O-CA 3.35Å; S234-E236 PolarHBondContact O-N 3Å; S234-E236 VanDerWaalsContact O-N 3.1Å; S234-E236 PolarHBondContact OG-N 3.3Å; S234-N237 PolarHBondContact O-N 3.14Å; S234-G238 PolarHBondContact N-O 3.47Å; S234-G238 PolarHBondContact OG-N 2.92Å
235	T	96.1	Very high	97.7	Very high	81 Å²	81	37.7 Å²	37.7	50%	0.497	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.7	169.3	56.6	0	0	0	0	114	H215 L217	H215-T235 HydrophobicContact CB-CG2 3.98Å; H215-T235 PolarHBondContact O-N 2.96Å; L217-T235 HydrophobicContact CB-CG2 4.39Å
236	E	95.8	Very high	97.9	Very high	148 Å²	148	31.4 Å²	31.4	69%	0.692	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	12.4	173.4	-60.7	-178.7	-177.4	0	0	112.1	S234 G238	S234-E236 PolarHBondContact O-N 3Å; S234-E236 VanDerWaalsContact O-N 3.1Å; S234-E236 PolarHBondContact OG-N 3.3Å; E236-G238 PolarHBondContact O-N 3.36Å
237	N	97.3	Very high	97.9	Very high	39 Å²	39	30.7 Å²	30.7	21%	0.209	16%	0.16	C	C	.	.	S	Bend	trans	57.2	29.1	-173.6	-56.5	-31.5	0	0	0	113.4	S234 K254 A255 V256 Y272	S234-N237 PolarHBondContact O-N 3.14Å; N237-K254 CarbonylContact O-C 3.6Å; N237-A255 PolarHBondContact O-N 2.94Å; N237-V256 WeakPolarHBondContact CB-O 3.14Å; N237-V256 PolarHBondContact O-N 2.98Å; N237-Y272 HydrophobicContact CB-CE1 4.03Å; N237-Y272 PolarHBondContact ND2-OH 3.42Å
238	G	98.1	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.			trans	-83.4	135.8	169.1	0	0	0	0	0	110.7	L233 S234 E236 H253	L233-G238 CarbonylContact C-O 3.53Å; L233-G238 WeakPolarHBondContact CA-O 3.46Å; S234-G238 PolarHBondContact N-O 3.47Å; S234-G238 PolarHBondContact OG-N 2.92Å; E236-G238 PolarHBondContact O-N 3.36Å; G238-H253 CarbonylContact C-O 3.58Å; G238-H253 WeakPolarHBondContact CA-O 3.44Å
239	L	98.7	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.7	172.3	173.9	59.3	0	0	0	109.4	L231 L233 I252 H253 V256 A259 I267 F269	L231-L239 HydrophobicContact CB-CD1 4.26Å; L231-L239 HydrophobicContact CD1-CD1 4.32Å; L233-L239 HydrophobicContact CD2-CB 4.11Å; L233-L239 HydrophobicContact CD2-CD1 3.92Å; L239-I252 HydrophobicContact CB-CG1 4.35Å; L239-I252 HydrophobicContact CD2-CD1 3.83Å; L239-I252 HydrophobicContact CD2-CG1 4.04Å; L239-I252 HydrophobicContact CG-CD1 4.03Å; L239-I252 HydrophobicContact CG-CG1 3.82Å; L239-I252 WeakPolarHBondContact O-CG1 3.49Å; L239-I252 PolarHBondContact O-N 3.26Å; L239-H253 HydrophobicContact CB-CB 4.46Å; L239-H253 PolarHBondContact N-O 3.42Å; L239-V256 HydrophobicContact CB-CB 4.15Å; L239-V256 HydrophobicContact CB-CG1 4.29Å; L239-V256 HydrophobicContact CB-CG2 3.73Å; L239-V256 HydrophobicContact CD2-CG1 4.5Å; L239-V256 HydrophobicContact CD2-CG2 4.49Å; L239-A259 HydrophobicContact CD1-CB 3.71Å; L239-A259 HydrophobicContact CD2-CB 4.17Å; L239-I267 HydrophobicContact CD2-CG2 4.29Å; L239-F269 HydrophobicContact CD2-CB 3.98Å; L239-F269 HydrophobicContact CD2-CD1 3.77Å; L239-F269 HydrophobicContact CD2-CD2 4.18Å; L239-F269 HydrophobicContact CD2-CE1 4.27Å; L239-F269 HydrophobicContact CD2-CG 3.72Å
240	W	98.7	Very high	98	Very high	32 Å²	32	35.7 Å²	35.7	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.3	-178.7	-66.8	79.1	0	0	0	110.7	P213 F214 L231 A232 W249 E250 E251	P213-W240 HydrophobicContact CB-CH2 3.94Å; P213-W240 HydrophobicContact CB-CZ3 3.95Å; P213-W240 HydrophobicContact CG-CE3 3.96Å; P213-W240 HydrophobicContact CG-CH2 3.92Å; P213-W240 HydrophobicContact CG-CZ3 3.44Å; P213-W240 VanDerWaalsContact CG-CZ3 3.44Å; F214-W240 HydrophobicContact CB-CD2 4.29Å; F214-W240 HydrophobicContact CB-CZ2 3.89Å; F214-W240 HydrophobicContact CD1-CB 4.07Å; F214-W240 AromaticContact CD1-CD1 3.86Å; F214-W240 AromaticContact CD1-CD2 3.38Å; F214-W240 HydrophobicContact CD1-CD2 3.38Å; F214-W240 AromaticContact CD1-CE2 3.7Å; F214-W240 AromaticContact CD1-CE3 3.8Å; F214-W240 HydrophobicContact CD1-CE3 3.8Å; F214-W240 AromaticContact CD1-CG 3.51Å; F214-W240 HydrophobicContact CD1-CG 3.51Å; F214-W240 HydrophobicContact CD1-CZ2 4.33Å; F214-W240 HydrophobicContact CD1-CZ3 4.42Å; F214-W240 AromaticContact CD1-NE1 4Å; F214-W240 AromaticContact CD2-CD1 3.96Å; F214-W240 HydrophobicContact CD2-CG 4.3Å; F214-W240 HydrophobicContact CE1-CB 3.61Å; F214-W240 AromaticContact CE1-CD2 3.85Å; F214-W240 HydrophobicContact CE1-CD2 3.85Å; F214-W240 HydrophobicContact CE1-CE3 4.19Å; F214-W240 AromaticContact CE1-CG 3.6Å; F214-W240 HydrophobicContact CE1-CG 3.6Å; F214-W240 HydrophobicContact CE2-CB 4.42Å; F214-W240 HydrophobicContact CE2-CG 4.36Å; F214-W240 AromaticContact CG-CD1 3.74Å; F214-W240 AromaticContact CG-CD2 3.93Å; F214-W240 HydrophobicContact CG-CD2 3.93Å; F214-W240 AromaticContact CG-CE2 3.81Å; F214-W240 AromaticContact CG-CG 3.89Å; F214-W240 HydrophobicContact CG-CG 3.89Å; F214-W240 HydrophobicContact CG-CZ2 4.44Å; F214-W240 AromaticContact CG-NE1 3.73Å; F214-W240 HydrophobicContact CZ-CB 3.81Å; F214-W240 HydrophobicContact CZ-CG 4.05Å; L231-W240 VanDerWaalsContact CA-O 3.3Å; L231-W240 WeakPolarHBondContact CA-O 3.42Å; A232-W240 PolarHBondContact N-O 3.06Å; A232-W240 PolarHBondContact O-N 2.9Å; W240-W249 HydrophobicContact CB-CE3 3.9Å; W240-W249 HydrophobicContact CE3-CB 3.86Å; W240-W249 HydrophobicContact CZ3-CB 4.49Å; W240-E250 WeakPolarHBondContact CA-O 3.48Å; W240-E251 HydrophobicContact CD2-CB 3.82Å; W240-E251 HydrophobicContact CD2-CG 4.29Å; W240-E251 HydrophobicContact CE3-CB 3.85Å; W240-E251 VanDerWaalsContact CE3-N 3.34Å; W240-E251 HydrophobicContact CH2-CB 3.82Å; W240-E251 HydrophobicContact CZ2-CB 3.75Å; W240-E251 HydrophobicContact CZ2-CG 4.08Å; W240-E251 HydrophobicContact CZ3-CB 3.85Å
241	V	98.7	Very high	98	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.3	176.4	175.4	0	0	0	0	110.1	L230 L231 K243 W249 E250 I252 I267	L230-V241 CarbonylContact O-C 3.2Å; L230-V241 WeakPolarHBondContact O-CA 3.33Å; L231-V241 HydrophobicContact CB-CG2 4.21Å; V241-K243 HydrophobicContact CG1-CG 4.42Å; V241-W249 WeakPolarHBondContact O-CA 3.36Å; V241-E250 PolarHBondContact N-O 2.7Å; V241-E250 PolarHBondContact O-N 2.64Å; V241-I252 HydrophobicContact CB-CG2 4.27Å; V241-I252 HydrophobicContact CG2-CD1 3.57Å; V241-I252 HydrophobicContact CG2-CG1 3.95Å; V241-I252 HydrophobicContact CG2-CG2 4.27Å; V241-I267 HydrophobicContact CG2-CD1 3.62Å
242	S	98.6	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.9	166.8	-172.2	0	0	0	0	110.5	Y229 L230 N244 G246 K248	Y229-S242 WeakPolarHBondContact CA-O 3.37Å; L230-S242 PolarHBondContact N-O 3.09Å; L230-S242 VanDerWaalsContact N-O 3.12Å; L230-S242 PolarHBondContact O-N 3.36Å; S242-N244 PolarHBondContact OG-OD1 2.86Å; S242-N244 VanDerWaalsContact OG-OD1 3.1Å; S242-G246 VanDerWaalsContact OG-CA 3.27Å; S242-G246 WeakPolarHBondContact OG-CA 3.49Å; S242-G246 PolarHBondContact OG-N 3.42Å; S242-K248 WeakPolarHBondContact CA-O 3.29Å; S242-K248 VanDerWaalsContact CB-O 3.24Å; S242-K248 WeakPolarHBondContact CB-O 3.41Å; S242-K248 PolarHBondContact OG-O 3.28Å
243	K	98.2	Very high	97.9	Very high	70 Å²	70	41.7 Å²	41.7	30%	0.304	21%	0.207	S	C	.	.	S	Bend	trans	-113.5	6.5	-178.5	-67.1	155.1	-174.4	168.3	0	112.1	Y229 V241 E250 L292	Y229-K243 HydrophobicContact CD1-CB 4.39Å; Y229-K243 HydrophobicContact CE1-CB 4.24Å; V241-K243 HydrophobicContact CG1-CG 4.42Å; K243-E250 IonicContact NZ-OE2 2.66Å; K243-E250 PolarHBondContact NZ-OE2 2.89Å; K243-L292 VanDerWaalsContact CE-CB 3.4Å; K243-L292 WeakPolarHBondContact CE-O 3.46Å; K243-L292 HydrophobicContact CG-CD1 4.04Å; K243-L292 PolarHBondContact NZ-O 3.27Å
244	N	97.9	Very high	97.9	Very high	77 Å²	77	46.9 Å²	46.9	41%	0.412	23%	0.229	S	C	.	.	S	Bend	trans	-148.7	48.9	-173.9	66.6	-25.4	0	0	0	111.3	D228 S242 G246 G247 K248	D228-N244 PolarHBondContact O-N 3.08Å; S242-N244 PolarHBondContact OG-OD1 2.86Å; S242-N244 VanDerWaalsContact OG-OD1 3.1Å; N244-G246 PolarHBondContact O-N 2.93Å; N244-G247 PolarHBondContact O-N 3.28Å; N244-G247 VanDerWaalsContact O-N 3.13Å; N244-K248 PolarHBondContact ND2-N 2.71Å; N244-K248 PolarHBondContact OD1-N 3.33Å; N244-K248 PolarHBondContact OD1-O 3.3Å
245	F	98.2	Very high	97.8	Very high	6 Å²	6	48 Å²	48	3%	0.026	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	54.4	176.1	-178	-127.7	0	0	0	113.3	K181 V183 R199 S200 Y222 D228 L230 G247	K181-F245 HydrophobicContact CB-CD2 4.45Å; K181-F245 HydrophobicContact CB-CE2 3.75Å; K181-F245 HydrophobicContact CB-CZ 3.78Å; K181-F245 HydrophobicContact CD-CD1 4.45Å; K181-F245 HydrophobicContact CD-CD2 3.85Å; K181-F245 HydrophobicContact CD-CE2 4.01Å; K181-F245 HydrophobicContact CD-CG 4.11Å; K181-F245 HydrophobicContact CD-CZ 4.39Å; K181-F245 HydrophobicContact CG-CD1 4.42Å; K181-F245 HydrophobicContact CG-CD2 4.23Å; K181-F245 HydrophobicContact CG-CE1 4.11Å; K181-F245 HydrophobicContact CG-CE2 3.92Å; K181-F245 HydrophobicContact CG-CG 4.49Å; K181-F245 HydrophobicContact CG-CZ 3.86Å; V183-F245 HydrophobicContact CG2-CD2 4.45Å; V183-F245 HydrophobicContact CG2-CE2 3.44Å; V183-F245 VanDerWaalsContact CG2-CE2 3.44Å; V183-F245 HydrophobicContact CG2-CZ 3.63Å; R199-F245 HydrophobicContact CB-CD1 4.5Å; R199-F245 HydrophobicContact CB-CE1 3.76Å; R199-F245 HydrophobicContact CB-CZ 3.9Å; R199-F245 WeakPolarHBondContact CD-O 3.44Å; R199-F245 HydrophobicContact CG-CE1 4.44Å; S200-F245 WeakPolarHBondContact O-CE1 3.25Å; S200-F245 WeakPolarHBondContact O-CZ 3.3Å; Y222-F245 HydrophobicContact CE1-CD2 4.11Å; Y222-F245 AromaticContact CE1-CE2 3.72Å; Y222-F245 HydrophobicContact CE1-CE2 3.72Å; D228-F245 WeakPolarHBondContact O-CA 3.41Å; D228-F245 PolarHBondContact O-N 3.19Å; D228-F245 WeakPolarHBondContact OD1-CB 3.27Å; L230-F245 HydrophobicContact CD1-CD2 4.17Å; F245-G247 PolarHBondContact O-N 3.5Å; F245-G247 VanDerWaalsContact O-N 3.15Å
246	G	97.4	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	1.7	175.9	0	0	0	0	0	115.6	S242 N244 W249	S242-G246 VanDerWaalsContact OG-CA 3.27Å; S242-G246 WeakPolarHBondContact OG-CA 3.49Å; S242-G246 PolarHBondContact OG-N 3.42Å; N244-G246 PolarHBondContact O-N 2.93Å; G246-W249 PolarHBondContact O-NE1 3Å
247	G	97.2	Very high	98	Very high	27 Å²	27	38.7 Å²	38.7	28%	0.278	19%	0.192	S	C	.	.	S	Bend	trans	-71.1	-31.8	-179.3	0	0	0	0	0	114.5	N244 F245	N244-G247 PolarHBondContact O-N 3.28Å; N244-G247 VanDerWaalsContact O-N 3.13Å; F245-G247 PolarHBondContact O-N 3.5Å; F245-G247 VanDerWaalsContact O-N 3.15Å
248	K	97.8	Very high	98	Very high	144 Å²	144	39.3 Å²	39.3	63%	0.626	20%	0.196	S	C	*	.	S	Bend	trans	-139.1	143.1	168.9	-177	-175.9	174.2	-165.9	0	109	S242 N244	S242-K248 WeakPolarHBondContact CA-O 3.29Å; S242-K248 VanDerWaalsContact CB-O 3.24Å; S242-K248 WeakPolarHBondContact CB-O 3.41Å; S242-K248 PolarHBondContact OG-O 3.28Å; N244-K248 PolarHBondContact ND2-N 2.71Å; N244-K248 PolarHBondContact OD1-N 3.33Å; N244-K248 PolarHBondContact OD1-O 3.3Å
249	W	98.5	Very high	98	Very high	15 Å²	15	40 Å²	40	6%	0.057	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.8	177.4	-62.9	82	0	0	0	111.4	L212 P213 F214 M220 L230 A232 W240 V241 G246	L212-W249 VanDerWaalsContact CD2-NE1 3.29Å; P213-W249 HydrophobicContact CG-CB 3.98Å; F214-W249 HydrophobicContact CE1-CB 4.1Å; F214-W249 AromaticContact CE1-CD2 3.81Å; F214-W249 HydrophobicContact CE1-CD2 3.81Å; F214-W249 AromaticContact CE1-CE3 3.97Å; F214-W249 HydrophobicContact CE1-CE3 3.97Å; F214-W249 AromaticContact CE1-CG 3.87Å; F214-W249 HydrophobicContact CE1-CG 3.87Å; F214-W249 HydrophobicContact CZ-CD2 4.18Å; F214-W249 HydrophobicContact CZ-CE3 4.07Å; F214-W249 HydrophobicContact CZ-CZ3 4.35Å; M220-W249 HydrophobicContact CE-CH2 3.85Å; M220-W249 HydrophobicContact CE-CZ2 3.48Å; M220-W249 VanDerWaalsContact CE-CZ2 3.48Å; M220-W249 HydrophobicContact CG-CH2 4.09Å; M220-W249 HydrophobicContact CG-CZ2 4.46Å; M220-W249 HydrophobicContact SD-CH2 3.68Å; M220-W249 HydrophobicContact SD-CZ2 3.46Å; M220-W249 WeakPolarHBondContact SD-CZ2 3.36Å; L230-W249 HydrophobicContact CB-CH2 3.54Å; L230-W249 HydrophobicContact CB-CZ2 4.27Å; L230-W249 HydrophobicContact CB-CZ3 4.1Å; L230-W249 HydrophobicContact CD1-CH2 4Å; L230-W249 HydrophobicContact CD1-CZ2 3.96Å; L230-W249 HydrophobicContact CG-CH2 4.44Å; A232-W249 HydrophobicContact CB-CH2 4.48Å; A232-W249 HydrophobicContact CB-CZ3 4.29Å; W240-W249 HydrophobicContact CB-CE3 3.9Å; W240-W249 HydrophobicContact CE3-CB 3.86Å; W240-W249 HydrophobicContact CZ3-CB 4.49Å; V241-W249 WeakPolarHBondContact O-CA 3.36Å; G246-W249 PolarHBondContact O-NE1 3Å
250	E	98.3	Very high	98	Very high	94 Å²	94	43.7 Å²	43.7	44%	0.439	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.9	179.6	-176.9	165.4	-128.4	0	0	107.9	W240 V241 K243 I252	W240-E250 WeakPolarHBondContact CA-O 3.48Å; V241-E250 PolarHBondContact N-O 2.7Å; V241-E250 PolarHBondContact O-N 2.64Å; K243-E250 IonicContact NZ-OE2 2.66Å; K243-E250 PolarHBondContact NZ-OE2 2.89Å; E250-I252 HydrophobicContact CG-CG2 4.39Å; E250-I252 PolarHBondContact O-N 2.68Å
251	E	98.5	Very high	98	Very high	62 Å²	62	43.3 Å²	43.3	29%	0.29	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.8	174.9	-170.7	178	-147.4	0	0	108	W240 K254	W240-E251 HydrophobicContact CD2-CB 3.82Å; W240-E251 HydrophobicContact CD2-CG 4.29Å; W240-E251 HydrophobicContact CE3-CB 3.85Å; W240-E251 VanDerWaalsContact CE3-N 3.34Å; W240-E251 HydrophobicContact CH2-CB 3.82Å; W240-E251 HydrophobicContact CZ2-CB 3.75Å; W240-E251 HydrophobicContact CZ2-CG 4.08Å; W240-E251 HydrophobicContact CZ3-CB 3.85Å; E251-K254 WeakPolarHBondContact OE1-CG 3.45Å; E251-K254 IonicContact OE1-NZ 2.67Å; E251-K254 PolarHBondContact OE1-NZ 2.86Å; E251-K254 VanDerWaalsContact OE2-CE 3.25Å; E251-K254 WeakPolarHBondContact OE2-CE 3.43Å; E251-K254 IonicContact OE2-NZ 2.69Å; E251-K254 PolarHBondContact OE2-NZ 2.76Å
252	I	98.4	Very high	97.8	Very high	16 Å²	16	43.9 Å²	43.9	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-25.4	-175.6	64.1	158.7	0	0	0	112.4	L239 V241 E250 I267 T289 F296	L239-I252 HydrophobicContact CB-CG1 4.35Å; L239-I252 HydrophobicContact CD2-CD1 3.83Å; L239-I252 HydrophobicContact CD2-CG1 4.04Å; L239-I252 HydrophobicContact CG-CD1 4.03Å; L239-I252 HydrophobicContact CG-CG1 3.82Å; L239-I252 WeakPolarHBondContact O-CG1 3.49Å; L239-I252 PolarHBondContact O-N 3.26Å; V241-I252 HydrophobicContact CB-CG2 4.27Å; V241-I252 HydrophobicContact CG2-CD1 3.57Å; V241-I252 HydrophobicContact CG2-CG1 3.95Å; V241-I252 HydrophobicContact CG2-CG2 4.27Å; E250-I252 HydrophobicContact CG-CG2 4.39Å; E250-I252 PolarHBondContact O-N 2.68Å; I252-I267 HydrophobicContact CD1-CD1 4.19Å; I252-T289 HydrophobicContact CD1-CG2 4.19Å; I252-F296 HydrophobicContact CB-CE1 4.48Å; I252-F296 HydrophobicContact CB-CZ 4.12Å; I252-F296 HydrophobicContact CD1-CE1 4.34Å; I252-F296 WeakPolarHBondContact O-CZ 3.38Å
253	H	98.3	Very high	97.6	Very high	52 Å²	52	47 Å²	47	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.6	175.7	-148.8	-86.8	0	0	0	111.7	G238 L239 V256 F269 T271	G238-H253 CarbonylContact C-O 3.58Å; G238-H253 WeakPolarHBondContact CA-O 3.44Å; L239-H253 HydrophobicContact CB-CB 4.46Å; L239-H253 PolarHBondContact N-O 3.42Å; H253-V256 HydrophobicContact CB-CG2 3.9Å; H253-F269 HydrophobicContact CB-CE2 3.77Å; H253-F269 HydrophobicContact CB-CZ 4Å; H253-F269 AromaticContact CD2-CE2 3.86Å; H253-F269 AromaticContact CD2-CZ 3.91Å; H253-F269 AromaticContact CG-CE2 3.51Å; H253-F269 AromaticContact CG-CZ 3.9Å; H253-F269 AromaticContact ND1-CE2 3.84Å; H253-T271 WeakPolarHBondContact ND1-CG2 3.48Å
254	K	97.1	Very high	97.4	Very high	118 Å²	118	48.5 Å²	48.5	51%	0.513	26%	0.255	S	S	.	.	S	Bend	trans	-113.4	167.9	174.4	-68	-174.8	-179	-73.4	0	111.2	N237 E251 V256	N237-K254 CarbonylContact O-C 3.6Å; E251-K254 WeakPolarHBondContact OE1-CG 3.45Å; E251-K254 IonicContact OE1-NZ 2.67Å; E251-K254 PolarHBondContact OE1-NZ 2.86Å; E251-K254 VanDerWaalsContact OE2-CE 3.25Å; E251-K254 WeakPolarHBondContact OE2-CE 3.43Å; E251-K254 IonicContact OE2-NZ 2.69Å; E251-K254 PolarHBondContact OE2-NZ 2.76Å; K254-V256 VanDerWaalsContact C-N 3.29Å; K254-V256 PolarHBondContact O-N 2.89Å
255	A	96.7	Very high	97.3	Very high	25 Å²	25	46.3 Å²	46.3	21%	0.207	24%	0.244	C	C	.	.	S	Bend	trans	53.8	41.3	178	0	0	0	0	0	113.9	N237 T271 Y272	N237-A255 PolarHBondContact O-N 2.94Å; A255-T271 CarbonylContact O-C 3.26Å; A255-T271 VanDerWaalsContact O-CA 3.22Å; A255-T271 WeakPolarHBondContact O-CA 3.17Å; A255-Y272 VanDerWaalsContact C-CE1 3.46Å; A255-Y272 VanDerWaalsContact CA-CE1 3.41Å; A255-Y272 HydrophobicContact CB-CD1 3.82Å; A255-Y272 HydrophobicContact CB-CD2 4.16Å; A255-Y272 HydrophobicContact CB-CE1 3.62Å; A255-Y272 HydrophobicContact CB-CE2 3.93Å; A255-Y272 HydrophobicContact CB-CG 4.11Å; A255-Y272 WeakPolarHBondContact CB-O 3.49Å; A255-Y272 WeakPolarHBondContact O-CD1 3.23Å; A255-Y272 WeakPolarHBondContact O-CE1 3.33Å; A255-Y272 PolarHBondContact O-N 2.87Å
256	V	98.2	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.5	-179.4	179.8	0	0	0	0	111.2	L233 N237 L239 H253 K254 A259 F269 T270 T271	L233-V256 HydrophobicContact CD2-CB 4.02Å; L233-V256 HydrophobicContact CD2-CG1 3.66Å; N237-V256 WeakPolarHBondContact CB-O 3.14Å; N237-V256 PolarHBondContact O-N 2.98Å; L239-V256 HydrophobicContact CB-CB 4.15Å; L239-V256 HydrophobicContact CB-CG1 4.29Å; L239-V256 HydrophobicContact CB-CG2 3.73Å; L239-V256 HydrophobicContact CD2-CG1 4.5Å; L239-V256 HydrophobicContact CD2-CG2 4.49Å; H253-V256 HydrophobicContact CB-CG2 3.9Å; K254-V256 VanDerWaalsContact C-N 3.29Å; K254-V256 PolarHBondContact O-N 2.89Å; V256-A259 HydrophobicContact CG1-CB 4.42Å; V256-F269 HydrophobicContact CG1-CB 3.89Å; V256-F269 HydrophobicContact CG1-CD2 4.09Å; V256-F269 HydrophobicContact CG1-CG 4.4Å; V256-F269 HydrophobicContact CG2-CD2 3.77Å; V256-F269 HydrophobicContact CG2-CE2 4.17Å; V256-T270 CarbonylContact C-O 3.57Å; V256-T270 WeakPolarHBondContact CA-O 3.26Å; V256-T270 WeakPolarHBondContact CG1-O 3.32Å; V256-T271 HydrophobicContact CG2-CG2 4.15Å
257	C	97.4	Very high	97.3	Very high	34 Å²	34	46.1 Å²	46.1	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-39.9	-178.2	-59.9	0	0	0	0	113.8	T270 Y272 C277 L284	C257-T270 PolarHBondContact N-O 2.89Å; C257-Y272 VanDerWaalsContact SG-CD1 3.59Å; C257-C277 WeakPolarHBondContact CA-SG 3.32Å; C257-C277 HydrophobicContact CB-CB 3.81Å; C257-C277 WeakPolarHBondContact CB-SG 3.25Å; C257-C277 VanDerWaalsContact SG-CA 3.52Å; C257-C277 WeakPolarHBondContact SG-CB 3.34Å; C257-C277 CovalentContact SG-SG 2.03Å; C257-C277 PolarHBondContact SG-SG 2.79Å; C257-L284 HydrophobicContact CB-CD1 4.45Å
258	L	97.9	Very high	97.4	Very high	53 Å²	53	45 Å²	45	28%	0.277	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.3	-178.3	177.6	61.9	0	0	0	108	F269 T270 F306	L258-F269 CarbonylContact O-C 3.58Å; L258-F269 WeakPolarHBondContact O-CA 3.46Å; L258-F269 VanDerWaalsContact O-CB 3.32Å; L258-F269 WeakPolarHBondContact O-CB 3.23Å; L258-T270 PolarHBondContact O-N 2.97Å; L258-F306 HydrophobicContact CB-CE1 4.11Å; L258-F306 HydrophobicContact CD2-CD1 3.93Å; L258-F306 HydrophobicContact CD2-CE1 3.69Å; L258-F306 HydrophobicContact CD2-CZ 4.38Å; L258-F306 HydrophobicContact CG-CD1 4.44Å; L258-F306 HydrophobicContact CG-CE1 3.73Å; L258-F306 HydrophobicContact CG-CZ 4.28Å
259	A	98.3	Very high	97.4	Very high	14 Å²	14	38.2 Å²	38.2	12%	0.116	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.3	173.1	0	0	0	0	0	110.2	L231 L233 L239 V256 F268 F269	L231-A259 HydrophobicContact CD1-CB 4.1Å; L233-A259 HydrophobicContact CD2-CB 4.26Å; L239-A259 HydrophobicContact CD1-CB 3.71Å; L239-A259 HydrophobicContact CD2-CB 4.17Å; V256-A259 HydrophobicContact CG1-CB 4.42Å; A259-F268 CarbonylContact C-O 3.54Å; A259-F268 VanDerWaalsContact CA-O 3.32Å; A259-F268 WeakPolarHBondContact CA-O 3.48Å; A259-F269 HydrophobicContact CB-CB 3.88Å
260	K	98.3	Very high	97.4	Very high	77 Å²	77	37.6 Å²	37.6	34%	0.335	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.8	178.2	-67.1	-179.3	177.5	169.6	0	110.3	F268 F306 L308	K260-F268 PolarHBondContact N-O 2.97Å; K260-F268 PolarHBondContact O-N 2.91Å; K260-F306 HydrophobicContact CB-CE2 4.07Å; K260-F306 HydrophobicContact CB-CZ 4.02Å; K260-F306 HydrophobicContact CD-CE2 3.95Å; K260-F306 HydrophobicContact CD-CZ 4.12Å; K260-F306 HydrophobicContact CG-CE2 4.22Å; K260-F306 HydrophobicContact CG-CZ 4.01Å; K260-F306 PolarHBondContact NZ-O 2.03Å; K260-L308 HydrophobicContact CB-CD1 3.96Å; K260-L308 HydrophobicContact CD-CD1 4.37Å
261	W	97.9	Very high	97.4	Very high	24 Å²	24	33.4 Å²	33.4	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.5	165	-68	109.5	0	0	0	110.5	M221 Y222 L231 N265 T266 I267 L292 L308	M221-W261 PolarHBondContact O-NE1 3.16Å; Y222-W261 VanDerWaalsContact C-CD1 3.48Å; Y222-W261 VanDerWaalsContact C-NE1 3.25Å; Y222-W261 PolarHBondContact O-NE1 2.93Å; L231-W261 HydrophobicContact CB-CZ2 4.07Å; L231-W261 HydrophobicContact CD2-CD2 3.85Å; L231-W261 HydrophobicContact CD2-CG 4.07Å; L231-W261 HydrophobicContact CD2-CZ2 4.05Å; L231-W261 HydrophobicContact CG-CZ2 4.17Å; W261-N265 HydrophobicContact CZ3-CB 4.15Å; W261-N265 WeakPolarHBondContact CZ3-O 3.33Å; W261-T266 CarbonylContact C-O 3.56Å; W261-T266 WeakPolarHBondContact CA-O 3.49Å; W261-I267 HydrophobicContact CD2-CG1 4.36Å; W261-I267 HydrophobicContact CE3-CD1 4.39Å; W261-I267 HydrophobicContact CE3-CG1 3.61Å; W261-I267 HydrophobicContact CH2-CD1 3.85Å; W261-I267 HydrophobicContact CH2-CG1 3.99Å; W261-I267 HydrophobicContact CZ3-CD1 3.77Å; W261-I267 HydrophobicContact CZ3-CG1 3.39Å; W261-L292 HydrophobicContact CH2-CD2 3.78Å; W261-L292 HydrophobicContact CZ3-CD2 3.63Å; W261-L308 VanDerWaalsContact O-CD1 3.28Å; W261-L308 WeakPolarHBondContact O-CD1 3.3Å
262	G	95.3	Very high	97.3	Very high	13 Å²	13	32.5 Å²	32.5	13%	0.134	17%	0.174	C	C	.	.			trans	-106.1	-161.5	161.3	0	0	0	0	0	112	T266	G262-T266 PolarHBondContact N-O 2.89Å
263	S	93.2	Very high	97	Very high	66 Å²	66	35.8 Å²	35.8	46%	0.462	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-63.2	162.7	169.5	70.3	0	0	0	0	111.4	N265 T266 Q333	S263-N265 PolarHBondContact O-N 2.76Å; S263-T266 WeakPolarHBondContact O-CB 3.41Å; S263-T266 PolarHBondContact O-N 2.88Å; S263-T266 PolarHBondContact O-OG1 3.26Å; S263-Q333 PolarHBondContact OG-NE2 2.86Å; S263-Q333 VanDerWaalsContact OG-NE2 3.08Å
264	D	94.1	Very high	96.3	Very high	102 Å²	102	38.9 Å²	38.9	55%	0.545	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	60.8	19.3	168.2	-47.4	-71.7	0	0	0	115.9	T266	D264-T266 VanDerWaalsContact C-N 3.28Å
265	N	96.1	Very high	95.8	Very high	31 Å²	31	36.7 Å²	36.7	17%	0.166	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	67.5	23.9	-171.5	-36.3	-93.8	0	0	0	113.8	S223 N226 Y229 W261 S263 L292	S223-N265 PolarHBondContact OG-OD1 2.89Å; N226-N265 WeakPolarHBondContact CB-OD1 3.35Å; Y229-N265 HydrophobicContact CD2-CB 4.01Å; Y229-N265 VanDerWaalsContact CD2-OD1 3.28Å; Y229-N265 WeakPolarHBondContact CD2-OD1 3.17Å; Y229-N265 HydrophobicContact CE2-CB 4.32Å; W261-N265 HydrophobicContact CZ3-CB 4.15Å; W261-N265 WeakPolarHBondContact CZ3-O 3.33Å; S263-N265 PolarHBondContact O-N 2.76Å; N265-L292 HydrophobicContact CB-CD2 4.28Å; N265-L292 WeakPolarHBondContact O-CD2 3.38Å
266	T	97.9	Very high	95.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	24%	0.238	C	C	.	.			trans	-65.9	139.2	170.9	-56.9	0	0	0	0	110.6	W261 G262 S263 D264 F268 R288 L290 Q333	W261-T266 CarbonylContact C-O 3.56Å; W261-T266 WeakPolarHBondContact CA-O 3.49Å; G262-T266 PolarHBondContact N-O 2.89Å; S263-T266 WeakPolarHBondContact O-CB 3.41Å; S263-T266 PolarHBondContact O-N 2.88Å; S263-T266 PolarHBondContact O-OG1 3.26Å; D264-T266 VanDerWaalsContact C-N 3.28Å; T266-F268 HydrophobicContact CG2-CD2 4.22Å; T266-F268 HydrophobicContact CG2-CE1 4.06Å; T266-F268 HydrophobicContact CG2-CE2 3.73Å; T266-F268 HydrophobicContact CG2-CZ 3.64Å; T266-R288 HydrophobicContact CG2-CG 3.73Å; T266-L290 HydrophobicContact CG2-CD2 3.79Å; T266-L290 WeakPolarHBondContact OG1-CD2 3.45Å; T266-Q333 PolarHBondContact OG1-OE1 3.27Å
267	I	98.6	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.2	171.4	-52.7	172.6	0	0	0	109.3	L231 L239 V241 I252 W261 F269 R288 T289 L292	L231-I267 HydrophobicContact CD2-CD1 4.25Å; L231-I267 HydrophobicContact CD2-CG1 4.15Å; L231-I267 HydrophobicContact CD2-CG2 3.75Å; L239-I267 HydrophobicContact CD2-CG2 4.29Å; V241-I267 HydrophobicContact CG2-CD1 3.62Å; I252-I267 HydrophobicContact CD1-CD1 4.19Å; W261-I267 HydrophobicContact CD2-CG1 4.36Å; W261-I267 HydrophobicContact CE3-CD1 4.39Å; W261-I267 HydrophobicContact CE3-CG1 3.61Å; W261-I267 HydrophobicContact CH2-CD1 3.85Å; W261-I267 HydrophobicContact CH2-CG1 3.99Å; W261-I267 HydrophobicContact CZ3-CD1 3.77Å; W261-I267 HydrophobicContact CZ3-CG1 3.39Å; I267-F269 HydrophobicContact CG2-CD1 4.23Å; I267-R288 WeakPolarHBondContact O-CA 3.38Å; I267-T289 HydrophobicContact CB-CG2 3.84Å; I267-T289 HydrophobicContact CD1-CG2 4.29Å; I267-T289 HydrophobicContact CG1-CG2 4.38Å; I267-T289 PolarHBondContact N-O 3.25Å; I267-T289 PolarHBondContact O-N 2.97Å; I267-L292 HydrophobicContact CD1-CD2 4.07Å; I267-L292 HydrophobicContact CG1-CD2 4.46Å
268	F	98.7	Very high	95.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.7	169.8	-61.2	-74.4	0	0	0	109.5	A259 K260 T266 W287 R288 I299 F306 L308 L313 Q333	A259-F268 CarbonylContact C-O 3.54Å; A259-F268 VanDerWaalsContact CA-O 3.32Å; A259-F268 WeakPolarHBondContact CA-O 3.48Å; K260-F268 PolarHBondContact N-O 2.97Å; K260-F268 PolarHBondContact O-N 2.91Å; T266-F268 HydrophobicContact CG2-CD2 4.22Å; T266-F268 HydrophobicContact CG2-CE1 4.06Å; T266-F268 HydrophobicContact CG2-CE2 3.73Å; T266-F268 HydrophobicContact CG2-CZ 3.64Å; F268-W287 WeakPolarHBondContact CA-O 3.06Å; F268-R288 HydrophobicContact CD1-CB 4.23Å; F268-R288 HydrophobicContact CD1-CG 4.09Å; F268-R288 HydrophobicContact CE1-CB 4.31Å; F268-R288 HydrophobicContact CE1-CG 3.84Å; F268-I299 HydrophobicContact CD1-CD1 3.84Å; F268-I299 HydrophobicContact CE1-CD1 3.98Å; F268-F306 HydrophobicContact CB-CD2 4.38Å; F268-F306 HydrophobicContact CB-CE2 3.53Å; F268-F306 HydrophobicContact CB-CZ 3.83Å; F268-F306 HydrophobicContact CG-CE2 4.46Å; F268-F306 WeakPolarHBondContact O-CZ 3.45Å; F268-L308 HydrophobicContact CD2-CD1 4.11Å; F268-L308 HydrophobicContact CD2-CD2 4.15Å; F268-L308 HydrophobicContact CE2-CD2 4.05Å; F268-L313 HydrophobicContact CD1-CD2 4.17Å; F268-L313 HydrophobicContact CE1-CD2 3.77Å; F268-L313 HydrophobicContact CZ-CD2 4.23Å; F268-Q333 HydrophobicContact CE1-CB 4.21Å; F268-Q333 WeakPolarHBondContact CE1-O 3.36Å; F268-Q333 HydrophobicContact CZ-CB 3.79Å; F268-Q333 HydrophobicContact CZ-CG 4.14Å
269	F	98.6	Very high	94.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	150.1	178.3	64.1	-85.5	0	0	0	113.3	L239 H253 V256 L258 A259 I267 T271 W287 T289 F296	L239-F269 HydrophobicContact CD2-CB 3.98Å; L239-F269 HydrophobicContact CD2-CD1 3.77Å; L239-F269 HydrophobicContact CD2-CD2 4.18Å; L239-F269 HydrophobicContact CD2-CE1 4.27Å; L239-F269 HydrophobicContact CD2-CG 3.72Å; H253-F269 HydrophobicContact CB-CE2 3.77Å; H253-F269 HydrophobicContact CB-CZ 4Å; H253-F269 AromaticContact CD2-CE2 3.86Å; H253-F269 AromaticContact CD2-CZ 3.91Å; H253-F269 AromaticContact CG-CE2 3.51Å; H253-F269 AromaticContact CG-CZ 3.9Å; H253-F269 AromaticContact ND1-CE2 3.84Å; V256-F269 HydrophobicContact CG1-CB 3.89Å; V256-F269 HydrophobicContact CG1-CD2 4.09Å; V256-F269 HydrophobicContact CG1-CG 4.4Å; V256-F269 HydrophobicContact CG2-CD2 3.77Å; V256-F269 HydrophobicContact CG2-CE2 4.17Å; L258-F269 CarbonylContact O-C 3.58Å; L258-F269 WeakPolarHBondContact O-CA 3.46Å; L258-F269 VanDerWaalsContact O-CB 3.32Å; L258-F269 WeakPolarHBondContact O-CB 3.23Å; A259-F269 HydrophobicContact CB-CB 3.88Å; I267-F269 HydrophobicContact CG2-CD1 4.23Å; F269-T271 HydrophobicContact CD2-CG2 3.8Å; F269-T271 HydrophobicContact CE2-CG2 3.68Å; F269-W287 HydrophobicContact CD1-CB 4.23Å; F269-W287 HydrophobicContact CD2-CB 4.06Å; F269-W287 HydrophobicContact CE1-CB 3.81Å; F269-W287 HydrophobicContact CE2-CB 3.62Å; F269-W287 HydrophobicContact CE2-CG 4.04Å; F269-W287 HydrophobicContact CG-CB 4.35Å; F269-W287 HydrophobicContact CZ-CB 3.49Å; F269-W287 VanDerWaalsContact CZ-CB 3.49Å; F269-W287 HydrophobicContact CZ-CG 4.17Å; F269-W287 PolarHBondContact N-O 2.94Å; F269-W287 PolarHBondContact O-N 2.85Å; F269-T289 HydrophobicContact CE1-CG2 4.41Å; F269-F296 AromaticContact CE1-CD1 3.94Å; F269-F296 HydrophobicContact CE1-CD1 3.94Å; F269-F296 HydrophobicContact CE1-CE1 4.09Å; F269-F296 AromaticContact CZ-CD1 3.71Å; F269-F296 HydrophobicContact CZ-CD1 3.71Å; F269-F296 AromaticContact CZ-CE1 3.9Å; F269-F296 HydrophobicContact CZ-CE1 3.9Å
270	T	98.5	Very high	94.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.1	175.1	47.4	0	0	0	0	112.6	V256 C257 L258 E285 L286 I303 F306	V256-T270 CarbonylContact C-O 3.57Å; V256-T270 WeakPolarHBondContact CA-O 3.26Å; V256-T270 WeakPolarHBondContact CG1-O 3.32Å; C257-T270 PolarHBondContact N-O 2.89Å; L258-T270 PolarHBondContact O-N 2.97Å; T270-E285 CarbonylContact C-O 3.5Å; T270-E285 WeakPolarHBondContact CA-O 3.41Å; T270-L286 HydrophobicContact CG2-CB 4.2Å; T270-L286 HydrophobicContact CG2-CD1 3.72Å; T270-I303 HydrophobicContact CG2-CG2 3.99Å; T270-F306 HydrophobicContact CG2-CD1 3.69Å; T270-F306 HydrophobicContact CG2-CE1 4.16Å
271	T	97.9	Very high	93.7	Very high	7 Å²	7	48 Å²	48	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.6	-177.6	56.5	0	0	0	0	112.6	H253 A255 V256 F269 L284 E285 W287	H253-T271 WeakPolarHBondContact ND1-CG2 3.48Å; A255-T271 CarbonylContact O-C 3.26Å; A255-T271 VanDerWaalsContact O-CA 3.22Å; A255-T271 WeakPolarHBondContact O-CA 3.17Å; V256-T271 HydrophobicContact CG2-CG2 4.15Å; F269-T271 HydrophobicContact CD2-CG2 3.8Å; F269-T271 HydrophobicContact CE2-CG2 3.68Å; T271-L284 WeakPolarHBondContact O-CA 3.38Å; T271-L284 WeakPolarHBondContact O-CB 3.39Å; T271-E285 PolarHBondContact N-O 3.32Å; T271-E285 PolarHBondContact O-N 2.97Å; T271-E285 VanDerWaalsContact O-N 3.09Å; T271-W287 VanDerWaalsContact OG1-CD1 3.28Å; T271-W287 PolarHBondContact OG1-NE1 3.09Å; T271-W287 VanDerWaalsContact OG1-NE1 3.08Å
272	Y	96.5	Very high	93.2	Very high	43 Å²	43	47.2 Å²	47.2	17%	0.169	30%	0.295	C	S	.	.			trans	-100.8	154.9	165.9	67.2	-84.1	0	0	0	111	N237 A255 C257 G275 C277	N237-Y272 HydrophobicContact CB-CE1 4.03Å; N237-Y272 PolarHBondContact ND2-OH 3.42Å; A255-Y272 VanDerWaalsContact C-CE1 3.46Å; A255-Y272 VanDerWaalsContact CA-CE1 3.41Å; A255-Y272 HydrophobicContact CB-CD1 3.82Å; A255-Y272 HydrophobicContact CB-CD2 4.16Å; A255-Y272 HydrophobicContact CB-CE1 3.62Å; A255-Y272 HydrophobicContact CB-CE2 3.93Å; A255-Y272 HydrophobicContact CB-CG 4.11Å; A255-Y272 WeakPolarHBondContact CB-O 3.49Å; A255-Y272 WeakPolarHBondContact O-CD1 3.23Å; A255-Y272 WeakPolarHBondContact O-CE1 3.33Å; A255-Y272 PolarHBondContact O-N 2.87Å; C257-Y272 VanDerWaalsContact SG-CD1 3.59Å; Y272-G275 VanDerWaalsContact CE2-O 3.31Å; Y272-G275 WeakPolarHBondContact CE2-O 3.36Å; Y272-C277 WeakPolarHBondContact CD1-SG 2.99Å
273	A	91.6	Very high	93.1	Very high	84 Å²	84	49.5 Å²	49.5	69%	0.694	31%	0.312	S	S	*	.	S	Bend	trans	-105	-38	178.1	0	0	0	0	0	112.2	D280	A273-D280 PolarHBondContact N-OD2 2.9Å
274	N	83.3	Confident	93.3	Very high	118 Å²	118	46.6 Å²	46.6	63%	0.631	29%	0.291	S	S	*	.	S	Bend	trans	-126.3	132.2	-174.8	-66	-67.1	0	0	0	111.8	S276 D280	N274-S276 PolarHBondContact O-N 3.12Å; N274-D280 PolarHBondContact N-OD2 2.84Å
275	G	87.3	Confident	93.5	Very high	71 Å²	71	45.4 Å²	45.4	73%	0.732	28%	0.283	S	S	*	.	S	Bend	trans	68.5	-85.3	171.8	0	0	0	0	0	114.5	Y272	Y272-G275 VanDerWaalsContact CE2-O 3.31Å; Y272-G275 WeakPolarHBondContact CE2-O 3.36Å
276	S	92.9	Very high	93.6	Very high	48 Å²	48	44 Å²	44	34%	0.336	28%	0.275	S	S	.	.			trans	-161.3	165.5	-175.2	71.6	0	0	0	0	113.1	N274 K278 A279 D280	N274-S276 PolarHBondContact O-N 3.12Å; S276-K278 PolarHBondContact O-N 2.96Å; S276-K278 PolarHBondContact OG-N 2.81Å; S276-A279 WeakPolarHBondContact O-CB 3.41Å; S276-A279 PolarHBondContact O-N 2.83Å; S276-A279 PolarHBondContact OG-N 2.84Å; S276-D280 PolarHBondContact O-N 3.49Å
277	C	92.4	Very high	93.6	Very high	31 Å²	31	46 Å²	46	21%	0.209	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.4	173.1	-60.4	0	0	0	0	115.8	C257 Y272	C257-C277 WeakPolarHBondContact CA-SG 3.32Å; C257-C277 HydrophobicContact CB-CB 3.81Å; C257-C277 WeakPolarHBondContact CB-SG 3.25Å; C257-C277 VanDerWaalsContact SG-CA 3.52Å; C257-C277 WeakPolarHBondContact SG-CB 3.34Å; C257-C277 CovalentContact SG-SG 2.03Å; C257-C277 PolarHBondContact SG-SG 2.79Å; Y272-C277 WeakPolarHBondContact CD1-SG 2.99Å
278	K	91	Very high	93.6	Very high	184 Å²	184	46.7 Å²	46.7	80%	0.8	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-21.3	176.3	-173.5	168.4	-178.6	174.2	0	112.8	S276	S276-K278 PolarHBondContact O-N 2.96Å; S276-K278 PolarHBondContact OG-N 2.81Å
279	A	90.1	Very high	93.6	Very high	70 Å²	70	46.6 Å²	46.6	58%	0.579	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-46.6	175.7	0	0	0	0	0	111.1	S276 L281	S276-A279 WeakPolarHBondContact O-CB 3.41Å; S276-A279 PolarHBondContact O-N 2.83Å; S276-A279 PolarHBondContact OG-N 2.84Å; A279-L281 PolarHBondContact O-N 3.05Å
280	D	88.5	Confident	93.6	Very high	24 Å²	24	51 Å²	51	13%	0.128	31%	0.308	C	S	.	.	S	Bend	trans	-85.4	25.3	176.3	-72.4	-7.9	0	0	0	112.5	A273 N274 S276 G282 A283 L284	A273-D280 PolarHBondContact N-OD2 2.9Å; N274-D280 PolarHBondContact N-OD2 2.84Å; S276-D280 PolarHBondContact O-N 3.49Å; D280-G282 PolarHBondContact O-N 3.2Å; D280-G282 VanDerWaalsContact O-N 3.15Å; D280-A283 HydrophobicContact CB-CB 4.18Å; D280-A283 CarbonylContact O-C 3.5Å; D280-A283 WeakPolarHBondContact O-CA 3.47Å; D280-A283 PolarHBondContact O-N 2.92Å; D280-L284 HydrophobicContact CB-CD2 3.84Å; D280-L284 VanDerWaalsContact O-CD2 3.28Å; D280-L284 WeakPolarHBondContact O-CD2 3.05Å; D280-L284 WeakPolarHBondContact O-CG 3.46Å; D280-L284 PolarHBondContact O-N 3.35Å; D280-L284 VanDerWaalsContact O-N 3.13Å
281	L	87.1	Confident	93.5	Very high	85 Å²	85	53.1 Å²	53.1	45%	0.445	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	115.2	-179	-169	75.8	0	0	0	110	A279 A283 Y304	A279-L281 PolarHBondContact O-N 3.05Å; L281-A283 VanDerWaalsContact C-N 3.29Å; L281-Y304 HydrophobicContact CD1-CE2 4.36Å; L281-Y304 HydrophobicContact CD2-CD2 4.45Å; L281-Y304 HydrophobicContact CD2-CE2 3.65Å; L281-Y304 HydrophobicContact CG-CD2 4.01Å; L281-Y304 HydrophobicContact CG-CE2 3.7Å
282	G	88.1	Confident	93.4	Very high	7 Å²	7	53.5 Å²	53.5	7%	0.072	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-5.2	-170.7	0	0	0	0	0	114.6	D280 K302 I303 M318	D280-G282 PolarHBondContact O-N 3.2Å; D280-G282 VanDerWaalsContact O-N 3.15Å; G282-K302 CarbonylContact O-C 3.05Å; G282-K302 WeakPolarHBondContact O-CA 3.47Å; G282-I303 CarbonylContact C-O 3.59Å; G282-I303 VanDerWaalsContact CA-O 3.23Å; G282-I303 WeakPolarHBondContact CA-O 3.3Å; G282-I303 PolarHBondContact N-O 2.91Å; G282-M318 WeakPolarHBondContact O-CG 3.48Å
283	A	93.7	Very high	93.4	Very high	60 Å²	60	52.3 Å²	52.3	50%	0.496	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	0.5	171.6	0	0	0	0	0	112.8	D280 L281	D280-A283 HydrophobicContact CB-CB 4.18Å; D280-A283 CarbonylContact O-C 3.5Å; D280-A283 WeakPolarHBondContact O-CA 3.47Å; D280-A283 PolarHBondContact O-N 2.92Å; L281-A283 VanDerWaalsContact C-N 3.29Å
284	L	96.7	Very high	93.6	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	158.1	-178.1	-50.5	177.4	0	0	0	111.8	C257 T271 D280 K302 I303	C257-L284 HydrophobicContact CB-CD1 4.45Å; T271-L284 WeakPolarHBondContact O-CA 3.38Å; T271-L284 WeakPolarHBondContact O-CB 3.39Å; D280-L284 HydrophobicContact CB-CD2 3.84Å; D280-L284 VanDerWaalsContact O-CD2 3.28Å; D280-L284 WeakPolarHBondContact O-CD2 3.05Å; D280-L284 WeakPolarHBondContact O-CG 3.46Å; D280-L284 PolarHBondContact O-N 3.35Å; D280-L284 VanDerWaalsContact O-N 3.13Å; L284-K302 PolarHBondContact O-N 2.77Å; L284-K302 VanDerWaalsContact O-N 3.12Å; L284-I303 HydrophobicContact CB-CB 4.24Å; L284-I303 VanDerWaalsContact CB-O 3.26Å; L284-I303 WeakPolarHBondContact CB-O 3.44Å; L284-I303 WeakPolarHBondContact CG-O 3.46Å; L284-I303 PolarHBondContact N-O 3.18Å; L284-I303 WeakPolarHBondContact O-CB 3.4Å; L284-I303 WeakPolarHBondContact O-CG1 3.4Å; L284-I303 PolarHBondContact O-N 3.43Å
285	E	97.9	Very high	94.3	Very high	77 Å²	77	53.8 Å²	53.8	36%	0.36	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.3	167	-55.5	-174.8	149.2	0	0	109.7	T270 T271 W287 T298 G300 V301	T270-E285 CarbonylContact C-O 3.5Å; T270-E285 WeakPolarHBondContact CA-O 3.41Å; T271-E285 PolarHBondContact N-O 3.32Å; T271-E285 PolarHBondContact O-N 2.97Å; T271-E285 VanDerWaalsContact O-N 3.09Å; E285-W287 WeakPolarHBondContact OE2-CZ2 3.46Å; E285-W287 PolarHBondContact OE2-NE1 3.3Å; E285-W287 VanDerWaalsContact OE2-NE1 3.12Å; E285-T298 HydrophobicContact CB-CG2 4.19Å; E285-G300 CarbonylContact C-O 3.41Å; E285-G300 WeakPolarHBondContact CA-O 3.31Å; E285-V301 HydrophobicContact CG-CG1 4.23Å
286	L	98.6	Very high	94.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.6	173.3	177.5	69.3	0	0	0	109	T270 I299 G300 I303 F306 A315 W337	T270-L286 HydrophobicContact CG2-CB 4.2Å; T270-L286 HydrophobicContact CG2-CD1 3.72Å; L286-I299 HydrophobicContact CB-CG1 4.31Å; L286-I299 HydrophobicContact CD2-CD1 3.79Å; L286-I299 HydrophobicContact CD2-CG1 3.95Å; L286-I299 HydrophobicContact CG-CD1 3.86Å; L286-I299 HydrophobicContact CG-CG1 3.73Å; L286-I299 WeakPolarHBondContact O-CG1 3.29Å; L286-I299 PolarHBondContact O-N 2.77Å; L286-G300 PolarHBondContact N-O 3Å; L286-G300 PolarHBondContact O-N 2.76Å; L286-G300 VanDerWaalsContact O-N 3.14Å; L286-I303 HydrophobicContact CB-CD1 4.49Å; L286-I303 HydrophobicContact CB-CG1 3.85Å; L286-I303 HydrophobicContact CB-CG2 4.45Å; L286-F306 HydrophobicContact CD1-CB 4.1Å; L286-F306 HydrophobicContact CD1-CD1 3.65Å; L286-F306 HydrophobicContact CD1-CD2 4.15Å; L286-F306 HydrophobicContact CD1-CE1 4.03Å; L286-F306 HydrophobicContact CD1-CG 3.7Å; L286-F306 HydrophobicContact CD1-CZ 4.45Å; L286-F306 HydrophobicContact CD2-CB 4.27Å; L286-A315 HydrophobicContact CD2-CB 4.24Å; L286-W337 HydrophobicContact CD2-CH2 3.89Å; L286-W337 HydrophobicContact CD2-CZ2 3.88Å
287	W	98.6	Very high	95.1	Very high	46 Å²	46	55.3 Å²	55.3	17%	0.174	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.2	-174.8	-69.6	83.5	0	0	0	111.5	F268 F269 T271 E285 F296 K297 T298	F268-W287 WeakPolarHBondContact CA-O 3.06Å; F269-W287 HydrophobicContact CD1-CB 4.23Å; F269-W287 HydrophobicContact CD2-CB 4.06Å; F269-W287 HydrophobicContact CE1-CB 3.81Å; F269-W287 HydrophobicContact CE2-CB 3.62Å; F269-W287 HydrophobicContact CE2-CG 4.04Å; F269-W287 HydrophobicContact CG-CB 4.35Å; F269-W287 HydrophobicContact CZ-CB 3.49Å; F269-W287 VanDerWaalsContact CZ-CB 3.49Å; F269-W287 HydrophobicContact CZ-CG 4.17Å; F269-W287 PolarHBondContact N-O 2.94Å; F269-W287 PolarHBondContact O-N 2.85Å; T271-W287 VanDerWaalsContact OG1-CD1 3.28Å; T271-W287 PolarHBondContact OG1-NE1 3.09Å; T271-W287 VanDerWaalsContact OG1-NE1 3.08Å; E285-W287 WeakPolarHBondContact OE2-CZ2 3.46Å; E285-W287 PolarHBondContact OE2-NE1 3.3Å; E285-W287 VanDerWaalsContact OE2-NE1 3.12Å; W287-F296 HydrophobicContact CE3-CB 3.75Å; W287-F296 HydrophobicContact CZ3-CB 3.89Å; W287-K297 WeakPolarHBondContact CA-O 3.16Å; W287-T298 HydrophobicContact CD2-CG2 4.32Å; W287-T298 WeakPolarHBondContact CH2-OG1 3.46Å; W287-T298 HydrophobicContact CZ2-CG2 4.26Å; W287-T298 WeakPolarHBondContact CZ2-OG1 3.44Å; W287-T298 WeakPolarHBondContact CZ3-OG1 3.36Å
288	R	98.5	Very high	95.4	Very high	14 Å²	14	56.5 Å²	56.5	5%	0.053	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.1	173.5	-173.1	179.2	76.4	-169.8	8.1	110.5	T266 I267 F268 L290 F296 K297 I299 D332 Q333 D335	T266-R288 HydrophobicContact CG2-CG 3.73Å; I267-R288 WeakPolarHBondContact O-CA 3.38Å; F268-R288 HydrophobicContact CD1-CB 4.23Å; F268-R288 HydrophobicContact CD1-CG 4.09Å; F268-R288 HydrophobicContact CE1-CB 4.31Å; F268-R288 HydrophobicContact CE1-CG 3.84Å; R288-L290 HydrophobicContact CG-CD2 4.26Å; R288-F296 WeakPolarHBondContact O-CA 3.32Å; R288-K297 PolarHBondContact N-O 3.04Å; R288-K297 PolarHBondContact O-N 2.96Å; R288-I299 HydrophobicContact CB-CD1 4.14Å; R288-I299 HydrophobicContact CB-CG1 4.46Å; R288-I299 HydrophobicContact CB-CG2 4Å; R288-D332 PolarHBondContact NH1-O 3.09Å; R288-Q333 VanDerWaalsContact CD-O 3.26Å; R288-Q333 WeakPolarHBondContact CD-O 3.44Å; R288-Q333 PolarHBondContact NH1-O 3.44Å; R288-D335 IonicContact CZ-OD1 2.75Å; R288-D335 IonicContact CZ-OD2 3.7Å; R288-D335 VanDerWaalsContact NH1-CG 3.34Å; R288-D335 IonicContact NH1-OD1 3.6Å; R288-D335 IonicContact NH1-OD2 2.7Å; R288-D335 PolarHBondContact NH1-OD2 2.92Å; R288-D335 VanDerWaalsContact NH2-CG 3.32Å; R288-D335 IonicContact NH2-OD1 2.68Å; R288-D335 PolarHBondContact NH2-OD1 2.75Å; R288-D335 VanDerWaalsContact NH2-OD1 3.17Å; R288-D335 IonicContact NH2-OD2 2.69Å; R288-D335 PolarHBondContact NH2-OD2 3.22Å
289	T	98.4	Very high	95.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	160.1	179.4	0	0	0	0	110.4	I252 I267 F269 D291 G293 S295 F296	I252-T289 HydrophobicContact CD1-CG2 4.19Å; I267-T289 HydrophobicContact CB-CG2 3.84Å; I267-T289 HydrophobicContact CD1-CG2 4.29Å; I267-T289 HydrophobicContact CG1-CG2 4.38Å; I267-T289 PolarHBondContact N-O 3.25Å; I267-T289 PolarHBondContact O-N 2.97Å; F269-T289 HydrophobicContact CE1-CG2 4.41Å; T289-D291 PolarHBondContact OG1-OD1 2.81Å; T289-D291 VanDerWaalsContact OG1-OD1 3.06Å; T289-G293 PolarHBondContact OG1-N 3.29Å; T289-S295 WeakPolarHBondContact CB-O 3.41Å; T289-S295 PolarHBondContact OG1-O 2.02Å; T289-F296 HydrophobicContact CG2-CD1 4.37Å; T289-F296 HydrophobicContact CG2-CE1 4.19Å
290	L	97	Very high	96	Very high	92 Å²	92	45.7 Å²	45.7	48%	0.482	25%	0.246	S	C	.	.	S	Bend	trans	-105.7	-8.1	-179.6	-62.3	174.8	0	0	0	112.6	T266 R288	T266-L290 HydrophobicContact CG2-CD2 3.79Å; T266-L290 WeakPolarHBondContact OG1-CD2 3.45Å; R288-L290 HydrophobicContact CG-CD2 4.26Å
291	D	96.5	Very high	96.4	Very high	46 Å²	46	48.5 Å²	48.5	25%	0.246	26%	0.264	C	S	.	.	S	Bend	trans	-125.7	18.4	-170.5	61.3	19.6	0	0	0	113.2	T289 G293 K294 S295	T289-D291 PolarHBondContact OG1-OD1 2.81Å; T289-D291 VanDerWaalsContact OG1-OD1 3.06Å; D291-G293 PolarHBondContact OD1-N 3.36Å; D291-K294 HydrophobicContact CB-CD 4.25Å; D291-K294 WeakPolarHBondContact O-CE 3.39Å; D291-K294 WeakPolarHBondContact OD1-CA 3.21Å; D291-K294 PolarHBondContact OD1-N 3.4Å; D291-S295 PolarHBondContact OD1-N 3.11Å; D291-S295 VanDerWaalsContact OD2-CB 3.3Å; D291-S295 WeakPolarHBondContact OD2-CB 3.39Å; D291-S295 PolarHBondContact OD2-N 2.74Å; D291-S295 VanDerWaalsContact OD2-N 3.08Å; D291-S295 PolarHBondContact OD2-OG 3.09Å
292	L	96.7	Very high	96.8	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.079	26%	0.261	C	S	.	.	S	Bend	trans	61.4	47.7	-179.3	-52.4	174.2	0	0	0	112.6	Y229 K243 W261 N265 I267	Y229-L292 HydrophobicContact CD1-CD1 4.49Å; Y229-L292 HydrophobicContact CD2-CD1 3.72Å; Y229-L292 HydrophobicContact CD2-CD2 4.49Å; Y229-L292 HydrophobicContact CE1-CD1 4.33Å; Y229-L292 HydrophobicContact CE2-CD1 3.55Å; Y229-L292 HydrophobicContact CG-CD1 4.21Å; K243-L292 VanDerWaalsContact CE-CB 3.4Å; K243-L292 WeakPolarHBondContact CE-O 3.46Å; K243-L292 HydrophobicContact CG-CD1 4.04Å; K243-L292 PolarHBondContact NZ-O 3.27Å; W261-L292 HydrophobicContact CH2-CD2 3.78Å; W261-L292 HydrophobicContact CZ3-CD2 3.63Å; N265-L292 HydrophobicContact CB-CD2 4.28Å; N265-L292 WeakPolarHBondContact O-CD2 3.38Å; I267-L292 HydrophobicContact CD1-CD2 4.07Å; I267-L292 HydrophobicContact CG1-CD2 4.46Å
293	G	96.3	Very high	97.3	Very high	18 Å²	18	48.3 Å²	48.3	19%	0.186	26%	0.258	C	S	.	.	S	Bend	trans	90.6	20.5	167.9	0	0	0	0	0	116.3	T289 D291 F296	T289-G293 PolarHBondContact OG1-N 3.29Å; D291-G293 PolarHBondContact OD1-N 3.36Å; G293-F296 VanDerWaalsContact CA-CZ 3.5Å; G293-F296 WeakPolarHBondContact O-CZ 3.49Å
294	K	96.4	Very high	97.4	Very high	170 Å²	170	47.9 Å²	47.9	74%	0.739	24%	0.244	S	C	*	.	S	Bend	trans	-90	-33.7	171.4	-46.3	169.2	-168.9	163.4	0	111.2	D291	D291-K294 HydrophobicContact CB-CD 4.25Å; D291-K294 WeakPolarHBondContact O-CE 3.39Å; D291-K294 WeakPolarHBondContact OD1-CA 3.21Å; D291-K294 PolarHBondContact OD1-N 3.4Å
295	S	97.7	Very high	97.4	Very high	64 Å²	64	50.1 Å²	50.1	45%	0.448	26%	0.259	S	S	.	.	S	Bend	trans	-134.3	153.8	172.4	70.3	0	0	0	0	111.2	T289 D291	T289-S295 WeakPolarHBondContact CB-O 3.41Å; T289-S295 PolarHBondContact OG1-O 2.02Å; D291-S295 PolarHBondContact OD1-N 3.11Å; D291-S295 VanDerWaalsContact OD2-CB 3.3Å; D291-S295 WeakPolarHBondContact OD2-CB 3.39Å; D291-S295 PolarHBondContact OD2-N 2.74Å; D291-S295 VanDerWaalsContact OD2-N 3.08Å; D291-S295 PolarHBondContact OD2-OG 3.09Å
296	F	98.2	Very high	97.4	Very high	71 Å²	71	46.9 Å²	46.9	31%	0.311	24%	0.244	S	C	.	.			trans	-136.7	144.5	-176.2	-56.5	-86.8	0	0	0	109.7	I252 F269 W287 R288 T289 G293	I252-F296 HydrophobicContact CB-CE1 4.48Å; I252-F296 HydrophobicContact CB-CZ 4.12Å; I252-F296 HydrophobicContact CD1-CE1 4.34Å; I252-F296 WeakPolarHBondContact O-CZ 3.38Å; F269-F296 AromaticContact CE1-CD1 3.94Å; F269-F296 HydrophobicContact CE1-CD1 3.94Å; F269-F296 HydrophobicContact CE1-CE1 4.09Å; F269-F296 AromaticContact CZ-CD1 3.71Å; F269-F296 HydrophobicContact CZ-CD1 3.71Å; F269-F296 AromaticContact CZ-CE1 3.9Å; F269-F296 HydrophobicContact CZ-CE1 3.9Å; W287-F296 HydrophobicContact CE3-CB 3.75Å; W287-F296 HydrophobicContact CZ3-CB 3.89Å; R288-F296 WeakPolarHBondContact O-CA 3.32Å; T289-F296 HydrophobicContact CG2-CD1 4.37Å; T289-F296 HydrophobicContact CG2-CE1 4.19Å; G293-F296 VanDerWaalsContact CA-CZ 3.5Å; G293-F296 WeakPolarHBondContact O-CZ 3.49Å
297	K	98.3	Very high	97.3	Very high	79 Å²	79	47.5 Å²	47.5	34%	0.343	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	170	-172.9	-170.3	176	-156.2	0	108.6	W287 R288 I299 D335	W287-K297 WeakPolarHBondContact CA-O 3.16Å; R288-K297 PolarHBondContact N-O 3.04Å; R288-K297 PolarHBondContact O-N 2.96Å; K297-I299 HydrophobicContact CB-CG2 4.34Å; K297-I299 HydrophobicContact CD-CG2 3.85Å; K297-I299 HydrophobicContact CG-CG2 4.05Å; K297-I299 PolarHBondContact O-N 3.44Å; K297-D335 IonicContact NZ-OD1 3.16Å; K297-D335 PolarHBondContact NZ-OD1 2.92Å
298	T	98.3	Very high	97.2	Very high	56 Å²	56	48 Å²	48	34%	0.344	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	117.2	162.8	-33.1	0	0	0	0	107.4	E285 W287 V301	E285-T298 HydrophobicContact CB-CG2 4.19Å; W287-T298 HydrophobicContact CD2-CG2 4.32Å; W287-T298 WeakPolarHBondContact CH2-OG1 3.46Å; W287-T298 HydrophobicContact CZ2-CG2 4.26Å; W287-T298 WeakPolarHBondContact CZ2-OG1 3.44Å; W287-T298 WeakPolarHBondContact CZ3-OG1 3.36Å; T298-V301 HydrophobicContact CG2-CG1 4.12Å
299	I	98.3	Very high	96.9	Very high	13 Å²	13	48 Å²	48	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-15.1	-179.3	57.4	166.6	0	0	0	112.5	F268 L286 R288 K297 L313 G334 W337	F268-I299 HydrophobicContact CD1-CD1 3.84Å; F268-I299 HydrophobicContact CE1-CD1 3.98Å; L286-I299 HydrophobicContact CB-CG1 4.31Å; L286-I299 HydrophobicContact CD2-CD1 3.79Å; L286-I299 HydrophobicContact CD2-CG1 3.95Å; L286-I299 HydrophobicContact CG-CD1 3.86Å; L286-I299 HydrophobicContact CG-CG1 3.73Å; L286-I299 WeakPolarHBondContact O-CG1 3.29Å; L286-I299 PolarHBondContact O-N 2.77Å; R288-I299 HydrophobicContact CB-CD1 4.14Å; R288-I299 HydrophobicContact CB-CG1 4.46Å; R288-I299 HydrophobicContact CB-CG2 4Å; K297-I299 HydrophobicContact CB-CG2 4.34Å; K297-I299 HydrophobicContact CD-CG2 3.85Å; K297-I299 HydrophobicContact CG-CG2 4.05Å; K297-I299 PolarHBondContact O-N 3.44Å; I299-L313 HydrophobicContact CD1-CD2 3.87Å; I299-G334 WeakPolarHBondContact CB-O 3.39Å; I299-G334 VanDerWaalsContact CG2-O 3.23Å; I299-G334 WeakPolarHBondContact CG2-O 3.45Å; I299-W337 HydrophobicContact CD1-CZ2 4.14Å; I299-W337 HydrophobicContact CG1-CZ2 4.42Å; I299-W337 PolarHBondContact O-NE1 3.27Å
300	G	96.9	Very high	96.6	Very high	15 Å²	15	50.2 Å²	50.2	16%	0.155	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158	173.1	0	0	0	0	0	112.8	E285 L286	E285-G300 CarbonylContact C-O 3.41Å; E285-G300 WeakPolarHBondContact CA-O 3.31Å; L286-G300 PolarHBondContact N-O 3Å; L286-G300 PolarHBondContact O-N 2.76Å; L286-G300 VanDerWaalsContact O-N 3.14Å
301	V	96.5	Very high	96.4	Very high	82 Å²	82	51.5 Å²	51.5	50%	0.497	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.6	177.8	-60.6	0	0	0	0	109.3	E285 T298 I303	E285-V301 HydrophobicContact CG-CG1 4.23Å; T298-V301 HydrophobicContact CG2-CG1 4.12Å; V301-I303 VanDerWaalsContact C-N 3.28Å; V301-I303 WeakPolarHBondContact O-CD1 3.2Å; V301-I303 PolarHBondContact O-N 3.25Å
302	K	95.4	Very high	96.5	Very high	87 Å²	87	49.4 Å²	49.4	38%	0.378	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.9	39.7	-171.7	-52.6	-172	-177.4	-172.9	0	112.9	G282 L284 V317 M318 D320	G282-K302 CarbonylContact O-C 3.05Å; G282-K302 WeakPolarHBondContact O-CA 3.47Å; L284-K302 PolarHBondContact O-N 2.77Å; L284-K302 VanDerWaalsContact O-N 3.12Å; K302-V317 HydrophobicContact CB-CG1 4.37Å; K302-V317 WeakPolarHBondContact O-CA 3.04Å; K302-M318 HydrophobicContact CB-CB 4.48Å; K302-M318 PolarHBondContact O-N 3.13Å; K302-D320 IonicContact NZ-OD1 3.87Å; K302-D320 PolarHBondContact NZ-OD1 2.75Å
303	I	97.5	Very high	96.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.6	-174.2	-53.1	-56.7	0	0	0	109.7	T270 G282 L284 L286 V301 A315 V317	T270-I303 HydrophobicContact CG2-CG2 3.99Å; G282-I303 CarbonylContact C-O 3.59Å; G282-I303 VanDerWaalsContact CA-O 3.23Å; G282-I303 WeakPolarHBondContact CA-O 3.3Å; G282-I303 PolarHBondContact N-O 2.91Å; L284-I303 HydrophobicContact CB-CB 4.24Å; L284-I303 VanDerWaalsContact CB-O 3.26Å; L284-I303 WeakPolarHBondContact CB-O 3.44Å; L284-I303 WeakPolarHBondContact CG-O 3.46Å; L284-I303 PolarHBondContact N-O 3.18Å; L284-I303 WeakPolarHBondContact O-CB 3.4Å; L284-I303 WeakPolarHBondContact O-CG1 3.4Å; L284-I303 PolarHBondContact O-N 3.43Å; L286-I303 HydrophobicContact CB-CD1 4.49Å; L286-I303 HydrophobicContact CB-CG1 3.85Å; L286-I303 HydrophobicContact CB-CG2 4.45Å; V301-I303 VanDerWaalsContact C-N 3.28Å; V301-I303 WeakPolarHBondContact O-CD1 3.2Å; V301-I303 PolarHBondContact O-N 3.25Å; I303-A315 HydrophobicContact CD1-CB 4.29Å; I303-V317 HydrophobicContact CD1-CG2 3.98Å
304	Y	95.8	Very high	96.6	Very high	51 Å²	51	48.2 Å²	48.2	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-50.9	170.8	-171.2	-86.3	0	0	0	110.5	L281 S316 M318 R325	L281-Y304 HydrophobicContact CD1-CE2 4.36Å; L281-Y304 HydrophobicContact CD2-CD2 4.45Å; L281-Y304 HydrophobicContact CD2-CE2 3.65Å; L281-Y304 HydrophobicContact CG-CD2 4.01Å; L281-Y304 HydrophobicContact CG-CE2 3.7Å; Y304-S316 WeakPolarHBondContact CB-O 3.22Å; Y304-S316 PolarHBondContact N-O 3.3Å; Y304-M318 HydrophobicContact CD2-SD 3.92Å; Y304-R325 VanDerWaalsContact CG-CD 3.43Å
305	S	97.3	Very high	96.7	Very high	52 Å²	52	40.2 Å²	40.2	36%	0.364	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	174.2	174	-167.6	0	0	0	0	110.9	S316	S305-S316 PolarHBondContact O-N 3.18Å
306	F	98.1	Very high	96.7	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151	177.5	84.1	-81.3	0	0	0	114	L258 K260 F268 T270 L286 L313 F314	L258-F306 HydrophobicContact CB-CE1 4.11Å; L258-F306 HydrophobicContact CD2-CD1 3.93Å; L258-F306 HydrophobicContact CD2-CE1 3.69Å; L258-F306 HydrophobicContact CD2-CZ 4.38Å; L258-F306 HydrophobicContact CG-CD1 4.44Å; L258-F306 HydrophobicContact CG-CE1 3.73Å; L258-F306 HydrophobicContact CG-CZ 4.28Å; K260-F306 HydrophobicContact CB-CE2 4.07Å; K260-F306 HydrophobicContact CB-CZ 4.02Å; K260-F306 HydrophobicContact CD-CE2 3.95Å; K260-F306 HydrophobicContact CD-CZ 4.12Å; K260-F306 HydrophobicContact CG-CE2 4.22Å; K260-F306 HydrophobicContact CG-CZ 4.01Å; K260-F306 PolarHBondContact NZ-O 2.03Å; F268-F306 HydrophobicContact CB-CD2 4.38Å; F268-F306 HydrophobicContact CB-CE2 3.53Å; F268-F306 HydrophobicContact CB-CZ 3.83Å; F268-F306 HydrophobicContact CG-CE2 4.46Å; F268-F306 WeakPolarHBondContact O-CZ 3.45Å; T270-F306 HydrophobicContact CG2-CD1 3.69Å; T270-F306 HydrophobicContact CG2-CE1 4.16Å; L286-F306 HydrophobicContact CD1-CB 4.1Å; L286-F306 HydrophobicContact CD1-CD1 3.65Å; L286-F306 HydrophobicContact CD1-CD2 4.15Å; L286-F306 HydrophobicContact CD1-CE1 4.03Å; L286-F306 HydrophobicContact CD1-CG 3.7Å; L286-F306 HydrophobicContact CD1-CZ 4.45Å; L286-F306 HydrophobicContact CD2-CB 4.27Å; F306-L313 HydrophobicContact CD2-CD1 3.91Å; F306-F314 CarbonylContact C-O 3.55Å; F306-F314 VanDerWaalsContact CA-O 3.22Å; F306-F314 WeakPolarHBondContact CA-O 3.44Å; F306-F314 WeakPolarHBondContact CB-O 3.04Å
307	G	97.3	Very high	96.6	Very high	13 Å²	13	35.6 Å²	35.6	13%	0.134	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.1	-179.6	0	0	0	0	0	112.2	F314	G307-F314 PolarHBondContact N-O 2.83Å; G307-F314 PolarHBondContact O-N 2.88Å
308	L	96.4	Very high	96.4	Very high	57 Å²	57	33.3 Å²	33.3	30%	0.298	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.6	170.8	-68.8	169.1	0	0	0	106.7	K260 W261 F268 F312 L313	K260-L308 HydrophobicContact CB-CD1 3.96Å; K260-L308 HydrophobicContact CD-CD1 4.37Å; W261-L308 VanDerWaalsContact O-CD1 3.28Å; W261-L308 WeakPolarHBondContact O-CD1 3.3Å; F268-L308 HydrophobicContact CD2-CD1 4.11Å; F268-L308 HydrophobicContact CD2-CD2 4.15Å; F268-L308 HydrophobicContact CE2-CD2 4.05Å; L308-F312 WeakPolarHBondContact CA-O 3.42Å; L308-L313 HydrophobicContact CD2-CB 4.11Å; L308-L313 HydrophobicContact CD2-CD1 3.66Å; L308-L313 HydrophobicContact CD2-CG 4.47Å; L308-L313 HydrophobicContact CG-CD1 4.45Å
309	G	92.8	Very high	96	Very high	13 Å²	13	32 Å²	32	13%	0.134	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	123.4	175.7	0	0	0	0	0	110	R311 F312 A356	G309-R311 PolarHBondContact O-N 2.68Å; G309-F312 PolarHBondContact N-O 2.95Å; G309-F312 WeakPolarHBondContact O-CB 3.49Å; G309-F312 WeakPolarHBondContact O-CD2 3.47Å; G309-F312 PolarHBondContact O-N 2.87Å; G309-A356 VanDerWaalsContact C-CB 3.46Å
310	G	91.9	Very high	95.2	Very high	49 Å²	49	37.5 Å²	37.5	51%	0.505	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-133	-167.4	0	0	0	0	0	111.5	F312	G310-F312 VanDerWaalsContact C-N 3.28Å; G310-F312 PolarHBondContact O-N 3.31Å
311	R	93.1	Very high	94.2	Very high	119 Å²	119	46.6 Å²	46.6	45%	0.449	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.7	174.4	65.8	179.8	-69.6	-150	-5.5	115.7	G309 D358 D381	G309-R311 PolarHBondContact O-N 2.68Å; R311-D358 WeakPolarHBondContact CD-O 3.42Å; R311-D381 PolarHBondContact NH1-O 2.74Å
312	F	97.1	Very high	93.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.2	-168.8	-51.8	-78.7	0	0	0	112.5	L308 G309 G310 F314 V329 T331 N357 R382	L308-F312 WeakPolarHBondContact CA-O 3.42Å; G309-F312 PolarHBondContact N-O 2.95Å; G309-F312 WeakPolarHBondContact O-CB 3.49Å; G309-F312 WeakPolarHBondContact O-CD2 3.47Å; G309-F312 PolarHBondContact O-N 2.87Å; G310-F312 VanDerWaalsContact C-N 3.28Å; G310-F312 PolarHBondContact O-N 3.31Å; F312-F314 HydrophobicContact CB-CD2 4.17Å; F312-F314 HydrophobicContact CB-CE1 4.26Å; F312-F314 HydrophobicContact CB-CE2 3.38Å; F312-F314 HydrophobicContact CB-CZ 3.42Å; F312-F314 VanDerWaalsContact CB-CZ 3.42Å; F312-F314 HydrophobicContact CD2-CZ 4.44Å; F312-F314 HydrophobicContact CG-CE2 4.27Å; F312-F314 AromaticContact CG-CZ 3.95Å; F312-F314 HydrophobicContact CG-CZ 3.95Å; F312-V329 HydrophobicContact CB-CG2 4.23Å; F312-V329 HydrophobicContact CD1-CG2 4.15Å; F312-T331 HydrophobicContact CD1-CG2 3.42Å; F312-T331 VanDerWaalsContact CD1-CG2 3.42Å; F312-T331 HydrophobicContact CE1-CG2 3.66Å; F312-T331 HydrophobicContact CG-CG2 4.49Å; F312-N357 WeakPolarHBondContact CE2-O 3.28Å; F312-R382 VanDerWaalsContact CE1-C 3.44Å
313	L	98.2	Very high	93.1	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.7	165.7	170.8	66.8	0	0	0	108.6	F268 I299 F306 L308 V329 S330 W337	F268-L313 HydrophobicContact CD1-CD2 4.17Å; F268-L313 HydrophobicContact CE1-CD2 3.77Å; F268-L313 HydrophobicContact CZ-CD2 4.23Å; I299-L313 HydrophobicContact CD1-CD2 3.87Å; F306-L313 HydrophobicContact CD2-CD1 3.91Å; L308-L313 HydrophobicContact CD2-CB 4.11Å; L308-L313 HydrophobicContact CD2-CD1 3.66Å; L308-L313 HydrophobicContact CD2-CG 4.47Å; L308-L313 HydrophobicContact CG-CD1 4.45Å; L313-V329 CarbonylContact O-C 3.6Å; L313-V329 WeakPolarHBondContact O-CA 3.36Å; L313-S330 PolarHBondContact N-O 3.05Å; L313-S330 PolarHBondContact O-N 3.03Å; L313-W337 HydrophobicContact CD2-CH2 3.62Å; L313-W337 HydrophobicContact CD2-CZ2 3.87Å; L313-W337 HydrophobicContact CD2-CZ3 4.5Å; L313-W337 HydrophobicContact CG-CH2 3.67Å; L313-W337 HydrophobicContact CG-CZ2 4.42Å; L313-W337 HydrophobicContact CG-CZ3 4.25Å
314	F	98.3	Very high	92.9	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.4	177	-61.3	-77.2	0	0	0	110.7	F306 G307 F312 I327 H328 V329 I353 V361 M363	F306-F314 CarbonylContact C-O 3.55Å; F306-F314 VanDerWaalsContact CA-O 3.22Å; F306-F314 WeakPolarHBondContact CA-O 3.44Å; F306-F314 WeakPolarHBondContact CB-O 3.04Å; G307-F314 PolarHBondContact N-O 2.83Å; G307-F314 PolarHBondContact O-N 2.88Å; F312-F314 HydrophobicContact CB-CD2 4.17Å; F312-F314 HydrophobicContact CB-CE1 4.26Å; F312-F314 HydrophobicContact CB-CE2 3.38Å; F312-F314 HydrophobicContact CB-CZ 3.42Å; F312-F314 VanDerWaalsContact CB-CZ 3.42Å; F312-F314 HydrophobicContact CD2-CZ 4.44Å; F312-F314 HydrophobicContact CG-CE2 4.27Å; F312-F314 AromaticContact CG-CZ 3.95Å; F312-F314 HydrophobicContact CG-CZ 3.95Å; F314-I327 HydrophobicContact CD1-CG2 3.76Å; F314-H328 WeakPolarHBondContact CA-O 3.49Å; F314-V329 HydrophobicContact CD1-CB 3.94Å; F314-V329 HydrophobicContact CD1-CG2 3.79Å; F314-V329 HydrophobicContact CE1-CB 3.93Å; F314-V329 HydrophobicContact CE1-CG2 3.47Å; F314-V329 VanDerWaalsContact CE1-CG2 3.47Å; F314-V329 HydrophobicContact CZ-CG2 4.15Å; F314-I353 HydrophobicContact CD2-CD1 3.53Å; F314-I353 HydrophobicContact CD2-CG1 4.4Å; F314-I353 HydrophobicContact CE2-CD1 4.05Å; F314-I353 HydrophobicContact CG-CD1 4.34Å; F314-V361 HydrophobicContact CE1-CG1 4.28Å; F314-V361 HydrophobicContact CE2-CB 4.49Å; F314-V361 HydrophobicContact CE2-CG1 4.41Å; F314-V361 HydrophobicContact CE2-CG2 4.36Å; F314-V361 HydrophobicContact CZ-CB 4.11Å; F314-V361 HydrophobicContact CZ-CG1 3.6Å; F314-V361 HydrophobicContact CZ-CG2 4.3Å; F314-M363 HydrophobicContact CD1-CE 4.21Å; F314-M363 HydrophobicContact CE1-CE 4.16Å; F314-M363 HydrophobicContact CG-CE 4.43Å; F314-M363 HydrophobicContact CZ-CE 4.33Å
315	A	98.2	Very high	92.9	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.2	169.6	0	0	0	0	0	109.9	L286 I303 V317 H328 W337	L286-A315 HydrophobicContact CD2-CB 4.24Å; I303-A315 HydrophobicContact CD1-CB 4.29Å; A315-V317 HydrophobicContact CB-CG2 4.49Å; A315-H328 PolarHBondContact N-O 2.94Å; A315-H328 PolarHBondContact O-N 3.33Å; A315-W337 HydrophobicContact CB-CH2 3.57Å; A315-W337 HydrophobicContact CB-CZ2 4.48Å; A315-W337 HydrophobicContact CB-CZ3 3.65Å
316	S	97.4	Very high	92.8	Very high	10 Å²	10	45 Å²	45	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.6	172.2	-168.3	0	0	0	0	108.7	Y304 S305 R325 R326	Y304-S316 WeakPolarHBondContact CB-O 3.22Å; Y304-S316 PolarHBondContact N-O 3.3Å; S305-S316 PolarHBondContact O-N 3.18Å; S316-R325 VanDerWaalsContact OG-CD 3.29Å; S316-R325 WeakPolarHBondContact OG-CD 3.47Å; S316-R325 WeakPolarHBondContact OG-CG 3.27Å; S316-R325 PolarHBondContact OG-NE 2.94Å; S316-R326 WeakPolarHBondContact CA-O 3.42Å
317	V	96.6	Very high	92.8	Very high	28 Å²	28	45 Å²	45	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.5	-170.6	-169.5	0	0	0	0	109.7	K302 I303 A315 R325 R326 H328	K302-V317 HydrophobicContact CB-CG1 4.37Å; K302-V317 WeakPolarHBondContact O-CA 3.04Å; I303-V317 HydrophobicContact CD1-CG2 3.98Å; A315-V317 HydrophobicContact CB-CG2 4.49Å; V317-R325 CarbonylContact O-C 3.6Å; V317-R325 VanDerWaalsContact O-CA 3.23Å; V317-R325 WeakPolarHBondContact O-CA 3.48Å; V317-R325 WeakPolarHBondContact O-CB 3.49Å; V317-R326 PolarHBondContact N-O 2.89Å; V317-R326 PolarHBondContact O-N 2.89Å; V317-H328 HydrophobicContact CG2-CB 4.16Å
318	M	94.1	Very high	92.8	Very high	31 Å²	31	46.5 Å²	46.5	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	149	177.7	-64.7	-61.6	-61	0	0	112.6	G282 K302 Y304 T323 R325	G282-M318 WeakPolarHBondContact O-CG 3.48Å; K302-M318 HydrophobicContact CB-CB 4.48Å; K302-M318 PolarHBondContact O-N 3.13Å; Y304-M318 HydrophobicContact CD2-SD 3.92Å; M318-T323 WeakPolarHBondContact CE-O 3.32Å; M318-R325 HydrophobicContact SD-CB 3.83Å
319	A	89.9	Confident	92.9	Very high	27 Å²	27	43.9 Å²	43.9	22%	0.223	24%	0.235	C	C	.	.			trans	-72.5	150.4	168.6	0	0	0	0	0	112.3	K321 D322 T324	A319-K321 VanDerWaalsContact C-N 3.27Å; A319-K321 PolarHBondContact O-N 3.23Å; A319-D322 HydrophobicContact CB-CB 4.11Å; A319-T324 PolarHBondContact N-O 3.09Å
320	D	81.3	Confident	93.1	Very high	130 Å²	130	43.5 Å²	43.5	70%	0.695	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.9	-173.9	-93	6	0	0	0	115.7	K302	K302-D320 IonicContact NZ-OD1 3.87Å; K302-D320 PolarHBondContact NZ-OD1 2.75Å
321	K	75.9	Confident	93.3	Very high	206 Å²	206	44.2 Å²	44.2	90%	0.896	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.5	9.9	-168.8	-63.5	-176	-179.8	176.1	0	113.9	A319	A319-K321 VanDerWaalsContact C-N 3.27Å; A319-K321 PolarHBondContact O-N 3.23Å
322	D	80.4	Confident	93.5	Very high	86 Å²	86	41 Å²	41	46%	0.46	22%	0.216	S	C	.	.	S	Bend	trans	-150.1	161.9	-166.4	-176.3	30.3	0	0	0	110.6	A319 T324	A319-D322 HydrophobicContact CB-CB 4.11Å; D322-T324 VanDerWaalsContact C-N 3.29Å; D322-T324 WeakPolarHBondContact OD2-CB 3.36Å; D322-T324 WeakPolarHBondContact OD2-CG2 3.4Å; D322-T324 PolarHBondContact OD2-OG1 3.29Å
323	T	88	Confident	93.5	Very high	81 Å²	81	43.4 Å²	43.4	50%	0.497	23%	0.227	S	C	.	.	S	Bend	trans	-86.4	1.3	180	57.6	0	0	0	0	113.5	M318	M318-T323 WeakPolarHBondContact CE-O 3.32Å
324	T	93.8	Very high	93.4	Very high	26 Å²	26	43.2 Å²	43.2	16%	0.16	23%	0.227	C	C	.	.			trans	-79.6	158	175.4	59.2	0	0	0	0	113.3	A319 D322 V345	A319-T324 PolarHBondContact N-O 3.09Å; D322-T324 VanDerWaalsContact C-N 3.29Å; D322-T324 WeakPolarHBondContact OD2-CB 3.36Å; D322-T324 WeakPolarHBondContact OD2-CG2 3.4Å; D322-T324 PolarHBondContact OD2-OG1 3.29Å; T324-V345 VanDerWaalsContact CA-O 3.28Å; T324-V345 WeakPolarHBondContact CA-O 3.38Å
325	R	95	Very high	93.3	Very high	13 Å²	13	46.9 Å²	46.9	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157	176	66.2	-171.1	-164.4	-80.4	3.8	111.8	Y304 S316 V317 M318 S344 V345 G346 Q349 Y351	Y304-R325 VanDerWaalsContact CG-CD 3.43Å; S316-R325 VanDerWaalsContact OG-CD 3.29Å; S316-R325 WeakPolarHBondContact OG-CD 3.47Å; S316-R325 WeakPolarHBondContact OG-CG 3.27Å; S316-R325 PolarHBondContact OG-NE 2.94Å; V317-R325 CarbonylContact O-C 3.6Å; V317-R325 VanDerWaalsContact O-CA 3.23Å; V317-R325 WeakPolarHBondContact O-CA 3.48Å; V317-R325 WeakPolarHBondContact O-CB 3.49Å; M318-R325 HydrophobicContact SD-CB 3.83Å; R325-S344 CarbonylContact O-C 3.54Å; R325-S344 VanDerWaalsContact O-CA 3.27Å; R325-S344 WeakPolarHBondContact O-CA 3.48Å; R325-S344 WeakPolarHBondContact O-CB 3.47Å; R325-V345 HydrophobicContact CG-CG2 3.92Å; R325-V345 PolarHBondContact N-O 2.91Å; R325-V345 PolarHBondContact O-N 2.81Å; R325-G346 PolarHBondContact NH1-O 2.91Å; R325-Q349 PolarHBondContact NH1-O 2.91Å; R325-Q349 PolarHBondContact NH2-O 3.2Å; R325-Y351 HydrophobicContact CG-CE2 4.44Å; R325-Y351 PolarHBondContact O-OH 3.13Å
326	R	95.3	Very high	93.2	Very high	34 Å²	34	50 Å²	50	13%	0.128	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.3	-178.6	62.4	-170.7	64.7	-127.9	-9.9	112	S316 V317 E700	S316-R326 WeakPolarHBondContact CA-O 3.42Å; V317-R326 PolarHBondContact N-O 2.89Å; V317-R326 PolarHBondContact O-N 2.89Å; R326-E700 IonicContact CZ-OE2 2.68Å; R326-E700 IonicContact NH1-OE2 2.7Å; R326-E700 PolarHBondContact NH1-OE2 2.9Å; R326-E700 IonicContact NH2-OE2 2.62Å; R326-E700 PolarHBondContact NH2-OE2 2.83Å
327	I	97.9	Very high	93.2	Very high	10 Å²	10	52 Å²	52	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.3	176	-63.4	-58.5	0	0	0	110.8	F314 A340 L342 Y351	F314-I327 HydrophobicContact CD1-CG2 3.76Å; I327-A340 HydrophobicContact CB-CB 4.03Å; I327-A340 HydrophobicContact CG2-CB 3.91Å; I327-A340 WeakPolarHBondContact O-CB 3.35Å; I327-A340 PolarHBondContact O-N 2.89Å; I327-L342 HydrophobicContact CB-CD1 4.25Å; I327-L342 HydrophobicContact CG1-CD1 4.28Å; I327-Y351 HydrophobicContact CD1-CD1 4.48Å; I327-Y351 HydrophobicContact CD1-CD2 3.49Å; I327-Y351 VanDerWaalsContact CD1-CD2 3.49Å; I327-Y351 HydrophobicContact CD1-CE2 3.77Å; I327-Y351 HydrophobicContact CD1-CG 3.87Å; I327-Y351 HydrophobicContact CG1-CD1 4.04Å; I327-Y351 HydrophobicContact CG1-CD2 3.81Å; I327-Y351 HydrophobicContact CG1-CE1 4.01Å; I327-Y351 HydrophobicContact CG1-CE2 3.76Å; I327-Y351 HydrophobicContact CG1-CG 3.94Å
328	H	97.5	Very high	93.1	Very high	43 Å²	43	51.1 Å²	51.1	20%	0.199	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.4	161.8	-73.7	-116.9	0	0	0	108.9	F314 A315 V317 W337 S338	F314-H328 WeakPolarHBondContact CA-O 3.49Å; A315-H328 PolarHBondContact N-O 2.94Å; A315-H328 PolarHBondContact O-N 3.33Å; V317-H328 HydrophobicContact CG2-CB 4.16Å; H328-W337 HydrophobicContact CB-CE3 3.96Å; H328-S338 CarbonylContact C-O 3.49Å; H328-S338 VanDerWaalsContact CA-O 3.26Å; H328-S338 WeakPolarHBondContact CA-O 3.28Å
329	V	98	Very high	93.2	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.9	-179	67.9	0	0	0	0	111.2	F312 L313 F314 W337 S338 G383 I384	F312-V329 HydrophobicContact CB-CG2 4.23Å; F312-V329 HydrophobicContact CD1-CG2 4.15Å; L313-V329 CarbonylContact O-C 3.6Å; L313-V329 WeakPolarHBondContact O-CA 3.36Å; F314-V329 HydrophobicContact CD1-CB 3.94Å; F314-V329 HydrophobicContact CD1-CG2 3.79Å; F314-V329 HydrophobicContact CE1-CB 3.93Å; F314-V329 HydrophobicContact CE1-CG2 3.47Å; F314-V329 VanDerWaalsContact CE1-CG2 3.47Å; F314-V329 HydrophobicContact CZ-CG2 4.15Å; V329-W337 VanDerWaalsContact C-CE3 3.49Å; V329-W337 WeakPolarHBondContact O-CA 3.41Å; V329-S338 PolarHBondContact N-O 3.45Å; V329-S338 PolarHBondContact O-N 2.85Å; V329-G383 WeakPolarHBondContact CG1-O 3Å; V329-I384 HydrophobicContact CG1-CD1 4.41Å; V329-I384 HydrophobicContact CG1-CG1 3.47Å; V329-I384 VanDerWaalsContact CG1-CG1 3.47Å
330	S	97.9	Very high	93.5	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.035	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.4	168	169.2	0	0	0	0	110.1	L313 D332 G334 T336	L313-S330 PolarHBondContact N-O 3.05Å; L313-S330 PolarHBondContact O-N 3.03Å; S330-D332 PolarHBondContact OG-N 3Å; S330-D332 PolarHBondContact OG-OD1 3.5Å; S330-G334 WeakPolarHBondContact OG-CA 3.44Å; S330-G334 PolarHBondContact OG-N 2.99Å; S330-T336 WeakPolarHBondContact CB-O 3.49Å; S330-T336 PolarHBondContact OG-O 3.36Å; S330-T336 VanDerWaalsContact OG-O 3.07Å
331	T	96.3	Very high	94.1	Very high	63 Å²	63	44.3 Å²	44.3	39%	0.387	23%	0.226	S	C	.	.	S	Bend	trans	-114.7	7.6	169.5	54.5	0	0	0	0	112.7	F312	F312-T331 HydrophobicContact CD1-CG2 3.42Å; F312-T331 VanDerWaalsContact CD1-CG2 3.42Å; F312-T331 HydrophobicContact CE1-CG2 3.66Å; F312-T331 HydrophobicContact CG-CG2 4.49Å
332	D	96.3	Very high	95	Very high	53 Å²	53	34.8 Å²	34.8	28%	0.283	19%	0.186	S	C	.	.	S	Bend	trans	-118.6	33.7	179.2	60.8	18.4	0	0	0	111.3	R288 S330 G334 D335 T336	R288-D332 PolarHBondContact NH1-O 3.09Å; S330-D332 PolarHBondContact OG-N 3Å; S330-D332 PolarHBondContact OG-OD1 3.5Å; D332-G334 PolarHBondContact O-N 3.1Å; D332-G334 PolarHBondContact OD1-N 2.93Å; D332-D335 HydrophobicContact CB-CB 4.4Å; D332-D335 PolarHBondContact O-N 2.82Å; D332-D335 VanDerWaalsContact O-N 3.15Å; D332-D335 PolarHBondContact OD1-N 3.3Å; D332-T336 VanDerWaalsContact CG-N 3.26Å; D332-T336 PolarHBondContact OD1-N 3.35Å; D332-T336 VanDerWaalsContact OD1-O 3.07Å; D332-T336 VanDerWaalsContact OD2-CB 3.28Å; D332-T336 WeakPolarHBondContact OD2-CB 3.41Å; D332-T336 WeakPolarHBondContact OD2-CG2 3.17Å; D332-T336 PolarHBondContact OD2-N 2.98Å; D332-T336 PolarHBondContact OD2-OG1 2.78Å
333	Q	96.3	Very high	95.7	Very high	51 Å²	51	32.3 Å²	32.3	24%	0.238	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	27.2	-179.1	-59.6	-177.6	4.2	0	0	114	S263 T266 F268 R288	S263-Q333 PolarHBondContact OG-NE2 2.86Å; S263-Q333 VanDerWaalsContact OG-NE2 3.08Å; T266-Q333 PolarHBondContact OG1-OE1 3.27Å; F268-Q333 HydrophobicContact CE1-CB 4.21Å; F268-Q333 WeakPolarHBondContact CE1-O 3.36Å; F268-Q333 HydrophobicContact CZ-CB 3.79Å; F268-Q333 HydrophobicContact CZ-CG 4.14Å; R288-Q333 VanDerWaalsContact CD-O 3.26Å; R288-Q333 WeakPolarHBondContact CD-O 3.44Å; R288-Q333 PolarHBondContact NH1-O 3.44Å
334	G	96.8	Very high	96	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	23.8	-178.4	0	0	0	0	0	114.4	I299 S330 D332	I299-G334 WeakPolarHBondContact CB-O 3.39Å; I299-G334 VanDerWaalsContact CG2-O 3.23Å; I299-G334 WeakPolarHBondContact CG2-O 3.45Å; S330-G334 WeakPolarHBondContact OG-CA 3.44Å; S330-G334 PolarHBondContact OG-N 2.99Å; D332-G334 PolarHBondContact O-N 3.1Å; D332-G334 PolarHBondContact OD1-N 2.93Å
335	D	96.8	Very high	96	Very high	82 Å²	82	28.9 Å²	28.9	44%	0.439	16%	0.155	S	C	.	.	S	Bend	trans	-76.5	-34.7	167.1	-82.3	-55.2	0	0	0	112.4	R288 K297 D332	R288-D335 IonicContact CZ-OD1 2.75Å; R288-D335 IonicContact CZ-OD2 3.7Å; R288-D335 VanDerWaalsContact NH1-CG 3.34Å; R288-D335 IonicContact NH1-OD1 3.6Å; R288-D335 IonicContact NH1-OD2 2.7Å; R288-D335 PolarHBondContact NH1-OD2 2.92Å; R288-D335 VanDerWaalsContact NH2-CG 3.32Å; R288-D335 IonicContact NH2-OD1 2.68Å; R288-D335 PolarHBondContact NH2-OD1 2.75Å; R288-D335 VanDerWaalsContact NH2-OD1 3.17Å; R288-D335 IonicContact NH2-OD2 2.69Å; R288-D335 PolarHBondContact NH2-OD2 3.22Å; K297-D335 IonicContact NZ-OD1 3.16Å; K297-D335 PolarHBondContact NZ-OD1 2.92Å; D332-D335 HydrophobicContact CB-CB 4.4Å; D332-D335 PolarHBondContact O-N 2.82Å; D332-D335 VanDerWaalsContact O-N 3.15Å; D332-D335 PolarHBondContact OD1-N 3.3Å
336	T	96.4	Very high	95.9	Very high	68 Å²	68	29.2 Å²	29.2	42%	0.417	16%	0.162	S	C	.	.	S	Bend	trans	-135.8	154.2	168	82	0	0	0	0	111.4	S330 D332 R706	S330-T336 WeakPolarHBondContact CB-O 3.49Å; S330-T336 PolarHBondContact OG-O 3.36Å; S330-T336 VanDerWaalsContact OG-O 3.07Å; D332-T336 VanDerWaalsContact CG-N 3.26Å; D332-T336 PolarHBondContact OD1-N 3.35Å; D332-T336 VanDerWaalsContact OD1-O 3.07Å; D332-T336 VanDerWaalsContact OD2-CB 3.28Å; D332-T336 WeakPolarHBondContact OD2-CB 3.41Å; D332-T336 WeakPolarHBondContact OD2-CG2 3.17Å; D332-T336 PolarHBondContact OD2-N 2.98Å; D332-T336 PolarHBondContact OD2-OG1 2.78Å; T336-R706 PolarHBondContact OG1-NH2 3.19Å
337	W	96.6	Very high	95.7	Very high	52 Å²	52	32.9 Å²	32.9	20%	0.197	18%	0.18	C	C	.	.			trans	-132.1	143.3	-177.3	-66.3	91.6	0	0	0	112.4	L286 I299 L313 A315 H328 V329 R706	L286-W337 HydrophobicContact CD2-CH2 3.89Å; L286-W337 HydrophobicContact CD2-CZ2 3.88Å; I299-W337 HydrophobicContact CD1-CZ2 4.14Å; I299-W337 HydrophobicContact CG1-CZ2 4.42Å; I299-W337 PolarHBondContact O-NE1 3.27Å; L313-W337 HydrophobicContact CD2-CH2 3.62Å; L313-W337 HydrophobicContact CD2-CZ2 3.87Å; L313-W337 HydrophobicContact CD2-CZ3 4.5Å; L313-W337 HydrophobicContact CG-CH2 3.67Å; L313-W337 HydrophobicContact CG-CZ2 4.42Å; L313-W337 HydrophobicContact CG-CZ3 4.25Å; A315-W337 HydrophobicContact CB-CH2 3.57Å; A315-W337 HydrophobicContact CB-CZ2 4.48Å; A315-W337 HydrophobicContact CB-CZ3 3.65Å; H328-W337 HydrophobicContact CB-CE3 3.96Å; V329-W337 VanDerWaalsContact C-CE3 3.49Å; V329-W337 WeakPolarHBondContact O-CA 3.41Å; W337-R706 VanDerWaalsContact C-NH2 3.27Å; W337-R706 PolarHBondContact O-NE 3.26Å; W337-R706 PolarHBondContact O-NH2 3.35Å
338	S	95.6	Very high	95.3	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.7	167	-74	0	0	0	0	110.2	H328 V329 R706 H709	H328-S338 CarbonylContact C-O 3.49Å; H328-S338 VanDerWaalsContact CA-O 3.26Å; H328-S338 WeakPolarHBondContact CA-O 3.28Å; V329-S338 PolarHBondContact N-O 3.45Å; V329-S338 PolarHBondContact O-N 2.85Å; S338-R706 WeakPolarHBondContact OG-CD 3.43Å; S338-R706 PolarHBondContact OG-NE 3.19Å; S338-R706 VanDerWaalsContact OG-NE 3.08Å; S338-H709 PolarHBondContact OG-NE2 3.34Å
339	M	95.2	Very high	95.2	Very high	27 Å²	27	40.3 Å²	40.3	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.2	167.4	-170.3	-177.9	-60.3	0	0	108.6	F701	M339-F701 WeakPolarHBondContact O-CE2 3.32Å
340	A	95.9	Very high	95.1	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.041	22%	0.223	C	C	.	.			trans	-80.5	144.8	169.7	0	0	0	0	0	110.7	I327 L342 Y386	I327-A340 HydrophobicContact CB-CB 4.03Å; I327-A340 HydrophobicContact CG2-CB 3.91Å; I327-A340 WeakPolarHBondContact O-CB 3.35Å; I327-A340 PolarHBondContact O-N 2.89Å; A340-L342 HydrophobicContact CB-CB 4.46Å; A340-L342 HydrophobicContact CB-CD1 4Å; A340-L342 HydrophobicContact CB-CG 4.16Å; A340-L342 PolarHBondContact O-N 2.96Å; A340-Y386 HydrophobicContact CB-CD2 4.38Å; A340-Y386 HydrophobicContact CB-CE2 3.75Å
341	Q	93.9	Very high	95.1	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.061	23%	0.229	C	C	.	.	S	Bend	trans	-75.5	68.1	168.6	-173.2	-153.3	-7.9	0	0	109.5	I384 F677 D698 F701	Q341-I384 WeakPolarHBondContact CB-O 3.43Å; Q341-I384 PolarHBondContact N-O 3.33Å; Q341-F677 HydrophobicContact CG-CD2 4.18Å; Q341-D698 PolarHBondContact NE2-OD1 2.96Å; Q341-F701 HydrophobicContact CB-CD2 3.81Å; Q341-F701 HydrophobicContact CB-CE2 4Å; Q341-F701 HydrophobicContact CB-CG 4.12Å; Q341-F701 HydrophobicContact CB-CZ 4.46Å; Q341-F701 HydrophobicContact CG-CB 4.42Å; Q341-F701 HydrophobicContact CG-CD2 4.42Å; Q341-F701 HydrophobicContact CG-CG 4.22Å
342	L	95.5	Very high	95.1	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-131.7	151.6	178.3	-71.7	171.8	0	0	0	110.1	I327 A340 S344 M363 V365 F377 Y386	I327-L342 HydrophobicContact CB-CD1 4.25Å; I327-L342 HydrophobicContact CG1-CD1 4.28Å; A340-L342 HydrophobicContact CB-CB 4.46Å; A340-L342 HydrophobicContact CB-CD1 4Å; A340-L342 HydrophobicContact CB-CG 4.16Å; A340-L342 PolarHBondContact O-N 2.96Å; L342-S344 PolarHBondContact O-N 2.92Å; L342-M363 HydrophobicContact CD1-CB 4.47Å; L342-M363 HydrophobicContact CD1-CG 3.87Å; L342-V365 HydrophobicContact CD2-CG2 4.11Å; L342-F377 HydrophobicContact CD2-CB 3.81Å; L342-F377 HydrophobicContact CD2-CD1 4.02Å; L342-F377 HydrophobicContact CD2-CD2 3.91Å; L342-F377 HydrophobicContact CD2-CE2 4.46Å; L342-F377 HydrophobicContact CD2-CG 3.66Å; L342-Y386 HydrophobicContact CD1-CD1 4.48Å; L342-Y386 HydrophobicContact CD1-CD2 4.24Å; L342-Y386 HydrophobicContact CD1-CE1 4.15Å; L342-Y386 HydrophobicContact CD1-CE2 3.95Å; L342-Y386 HydrophobicContact CD2-CD1 3.81Å; L342-Y386 HydrophobicContact CD2-CD2 4Å; L342-Y386 HydrophobicContact CD2-CE1 4.28Å; L342-Y386 HydrophobicContact CD2-CE2 4.49Å; L342-Y386 HydrophobicContact CD2-CG 3.64Å; L342-Y386 HydrophobicContact CG-CD1 4.32Å; L342-Y386 HydrophobicContact CG-CD2 3.76Å; L342-Y386 HydrophobicContact CG-CE1 4.46Å; L342-Y386 HydrophobicContact CG-CE2 3.98Å; L342-Y386 HydrophobicContact CG-CG 3.97Å
343	P	94.4	Very high	95.2	Very high	34 Å²	34	42.2 Å²	42.2	22%	0.221	22%	0.219	C	C	.	.			trans	-53.5	135.8	169.8	-23	32	0	0	0	112.1	Y351 V365 F377	P343-Y351 PolarHBondContact O-OH 2.86Å; P343-V365 HydrophobicContact CB-CG1 4.29Å; P343-V365 HydrophobicContact CG-CG1 4.42Å; P343-F377 HydrophobicContact CG-CE2 4.42Å; P343-F377 HydrophobicContact CG-CZ 4.02Å
344	S	93.8	Very high	95.2	Very high	35 Å²	35	41.2 Å²	41.2	25%	0.245	22%	0.215	C	C	.	.			trans	-75.4	139.9	165.9	55.8	0	0	0	0	110.3	R325 L342	R325-S344 CarbonylContact O-C 3.54Å; R325-S344 VanDerWaalsContact O-CA 3.27Å; R325-S344 WeakPolarHBondContact O-CA 3.48Å; R325-S344 WeakPolarHBondContact O-CB 3.47Å; L342-S344 PolarHBondContact O-N 2.92Å
345	V	94.9	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-117	149.9	-173	-58.4	0	0	0	0	112.4	T324 R325 Q349 Y351 V365	T324-V345 VanDerWaalsContact CA-O 3.28Å; T324-V345 WeakPolarHBondContact CA-O 3.38Å; R325-V345 HydrophobicContact CG-CG2 3.92Å; R325-V345 PolarHBondContact N-O 2.91Å; R325-V345 PolarHBondContact O-N 2.81Å; V345-Q349 HydrophobicContact CB-CB 3.77Å; V345-Q349 HydrophobicContact CG1-CB 4.37Å; V345-Q349 HydrophobicContact CG2-CB 4.35Å; V345-Y351 HydrophobicContact CG1-CE1 3.79Å; V345-Y351 HydrophobicContact CG1-CE2 4.39Å; V345-Y351 HydrophobicContact CG2-CD2 4.04Å; V345-Y351 HydrophobicContact CG2-CE1 4.35Å; V345-Y351 HydrophobicContact CG2-CE2 3.43Å; V345-Y351 VanDerWaalsContact CG2-CE2 3.43Å; V345-V365 HydrophobicContact CG1-CG1 3.71Å
346	G	93.3	Very high	95.1	Very high	19 Å²	19	39.9 Å²	39.9	20%	0.196	22%	0.216	C	C	.	.			trans	-73.4	177.3	172.8	0	0	0	0	0	113.1	R325 E348 Q349	R325-G346 PolarHBondContact NH1-O 2.91Å; G346-E348 PolarHBondContact O-N 3.27Å; G346-Q349 PolarHBondContact O-N 3.35Å
347	Q	89.9	Confident	94.8	Very high	112 Å²	112	39.2 Å²	39.2	52%	0.523	21%	0.209	S	C	.	.	S	Bend	trans	-66.2	-33.1	-174.1	-66.1	-171.2	-6.9	0	0	114.3
348	E	90.6	Very high	94.4	Very high	182 Å²	182	42.2 Å²	42.2	85%	0.85	23%	0.229	S	C	*	.	S	Bend	trans	-77.7	-28.7	-177.7	-62.5	176.8	156.4	0	0	112.1	G346	G346-E348 PolarHBondContact O-N 3.27Å
349	Q	95.1	Very high	94.2	Very high	27 Å²	27	44.8 Å²	44.8	13%	0.126	24%	0.242	C	C	.	.			trans	-76.9	160.1	177.4	-71.2	171	-82.9	0	0	113.1	R325 V345 G346 D366	R325-Q349 PolarHBondContact NH1-O 2.91Å; R325-Q349 PolarHBondContact NH2-O 3.2Å; V345-Q349 HydrophobicContact CB-CB 3.77Å; V345-Q349 HydrophobicContact CG1-CB 4.37Å; V345-Q349 HydrophobicContact CG2-CB 4.35Å; G346-Q349 PolarHBondContact O-N 3.35Å; Q349-D366 WeakPolarHBondContact CA-OD2 3.43Å; Q349-D366 HydrophobicContact CB-CB 4.3Å; Q349-D366 PolarHBondContact NE2-O 3.45Å
350	F	95.7	Very high	94.1	Very high	45 Å²	45	43.8 Å²	43.8	20%	0.197	24%	0.238	C	C	.	.			trans	-129.1	169.7	175.8	65.9	-80.7	0	0	0	115.6	H364 D366 Y395	F350-H364 AromaticContact CE2-CD2 3.6Å; F350-H364 AromaticContact CE2-NE2 3.97Å; F350-H364 AromaticContact CZ-CD2 3.99Å; F350-H364 AromaticContact CZ-NE2 3.87Å; F350-D366 HydrophobicContact CD1-CB 3.7Å; F350-D366 VanDerWaalsContact CD1-CG 3.5Å; F350-D366 WeakPolarHBondContact CD1-OD2 3.35Å; F350-D366 HydrophobicContact CE1-CB 3.7Å; F350-D366 VanDerWaalsContact CE1-OD2 3.26Å; F350-D366 WeakPolarHBondContact CE1-OD2 3.35Å; F350-D366 HydrophobicContact CG-CB 4.11Å; F350-D366 HydrophobicContact CZ-CB 4.12Å; F350-D366 PolarHBondContact N-OD2 3.27Å; F350-D366 VanDerWaalsContact O-CB 3.25Å; F350-D366 WeakPolarHBondContact O-CB 3.24Å; F350-D366 PolarHBondContact O-N 3.15Å; F350-D366 VanDerWaalsContact O-N 3.14Å; F350-Y395 AromaticContact CE2-CD1 3.56Å; F350-Y395 HydrophobicContact CE2-CD1 3.56Å; F350-Y395 HydrophobicContact CE2-CD2 4.09Å; F350-Y395 AromaticContact CE2-CE1 3.6Å; F350-Y395 HydrophobicContact CE2-CE1 3.6Å; F350-Y395 HydrophobicContact CE2-CE2 4.12Å; F350-Y395 AromaticContact CE2-CG 3.83Å; F350-Y395 HydrophobicContact CE2-CG 3.83Å; F350-Y395 AromaticContact CE2-CZ 3.9Å; F350-Y395 AromaticContact CZ-CD1 3.37Å; F350-Y395 HydrophobicContact CZ-CD1 3.37Å; F350-Y395 HydrophobicContact CZ-CD2 4.4Å; F350-Y395 AromaticContact CZ-CE1 3.85Å; F350-Y395 HydrophobicContact CZ-CE1 3.85Å; F350-Y395 AromaticContact CZ-CG 3.71Å; F350-Y395 HydrophobicContact CZ-CG 3.71Å
351	Y	97.1	Very high	94.1	Very high	36 Å²	36	43.6 Å²	43.6	14%	0.141	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.9	165.5	-62.5	-73	0	0	0	107.6	R325 I327 P343 V345 H364 V365	R325-Y351 HydrophobicContact CG-CE2 4.44Å; R325-Y351 PolarHBondContact O-OH 3.13Å; I327-Y351 HydrophobicContact CD1-CD1 4.48Å; I327-Y351 HydrophobicContact CD1-CD2 3.49Å; I327-Y351 VanDerWaalsContact CD1-CD2 3.49Å; I327-Y351 HydrophobicContact CD1-CE2 3.77Å; I327-Y351 HydrophobicContact CD1-CG 3.87Å; I327-Y351 HydrophobicContact CG1-CD1 4.04Å; I327-Y351 HydrophobicContact CG1-CD2 3.81Å; I327-Y351 HydrophobicContact CG1-CE1 4.01Å; I327-Y351 HydrophobicContact CG1-CE2 3.76Å; I327-Y351 HydrophobicContact CG1-CG 3.94Å; P343-Y351 PolarHBondContact O-OH 2.86Å; V345-Y351 HydrophobicContact CG1-CE1 3.79Å; V345-Y351 HydrophobicContact CG1-CE2 4.39Å; V345-Y351 HydrophobicContact CG2-CD2 4.04Å; V345-Y351 HydrophobicContact CG2-CE1 4.35Å; V345-Y351 HydrophobicContact CG2-CE2 3.43Å; V345-Y351 VanDerWaalsContact CG2-CE2 3.43Å; Y351-H364 WeakPolarHBondContact CA-O 3.39Å; Y351-V365 HydrophobicContact CD1-CB 4.43Å; Y351-V365 HydrophobicContact CD1-CG1 4.23Å; Y351-V365 HydrophobicContact CD1-CG2 3.98Å; Y351-V365 HydrophobicContact CE1-CG1 3.95Å; Y351-V365 HydrophobicContact CE1-CG2 4.04Å
352	S	97.3	Very high	94.3	Very high	24 Å²	24	43 Å²	43	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.4	173.6	-163.7	0	0	0	0	111.9	L354 H364 Y395	S352-L354 PolarHBondContact O-N 3.2Å; S352-H364 PolarHBondContact N-O 2.64Å; S352-H364 PolarHBondContact O-N 2.86Å; S352-Y395 PolarHBondContact OG-OH 2.57Å
353	I	97.7	Very high	94.4	Very high	58 Å²	58	42.8 Å²	42.8	30%	0.297	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	100.4	173.7	-64.5	169.5	0	0	0	106.4	F314 A356 V361 M363	F314-I353 HydrophobicContact CD2-CD1 3.53Å; F314-I353 HydrophobicContact CD2-CG1 4.4Å; F314-I353 HydrophobicContact CE2-CD1 4.05Å; F314-I353 HydrophobicContact CG-CD1 4.34Å; I353-A356 HydrophobicContact CG2-CB 4.12Å; I353-V361 HydrophobicContact CG2-CG2 3.87Å; I353-M363 HydrophobicContact CG1-CE 3.87Å; I353-M363 HydrophobicContact CG1-SD 4.04Å
354	L	97.3	Very high	94.6	Very high	30 Å²	30	41.1 Å²	41.1	16%	0.157	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-44.4	-175.4	-59.7	177.1	0	0	0	111.4	S352 F362 H364 I376 Y395 F404	S352-L354 PolarHBondContact O-N 3.2Å; L354-F362 HydrophobicContact CB-CB 3.97Å; L354-F362 HydrophobicContact CD1-CB 4.5Å; L354-F362 PolarHBondContact N-O 3.2Å; L354-H364 HydrophobicContact CD1-CB 4.02Å; L354-H364 HydrophobicContact CD2-CB 3.92Å; L354-H364 HydrophobicContact CG-CB 3.92Å; L354-I376 HydrophobicContact CD1-CD1 3.83Å; L354-I376 HydrophobicContact CD1-CG1 3.86Å; L354-I376 HydrophobicContact CD1-CG2 4.27Å; L354-Y395 HydrophobicContact CD2-CD2 4.11Å; L354-Y395 HydrophobicContact CD2-CE2 3.7Å; L354-F404 HydrophobicContact CB-CD1 3.68Å; L354-F404 HydrophobicContact CB-CD2 4.31Å; L354-F404 HydrophobicContact CB-CE1 3.76Å; L354-F404 HydrophobicContact CB-CE2 4.38Å; L354-F404 HydrophobicContact CB-CG 3.97Å; L354-F404 HydrophobicContact CB-CZ 4.12Å; L354-F404 HydrophobicContact CD1-CD2 3.68Å; L354-F404 HydrophobicContact CD1-CE2 3.94Å; L354-F404 HydrophobicContact CD1-CG 4Å; L354-F404 HydrophobicContact CD1-CZ 4.47Å; L354-F404 HydrophobicContact CD2-CB 4.32Å; L354-F404 HydrophobicContact CD2-CG 4.4Å; L354-F404 HydrophobicContact CG-CD2 4.49Å; L354-F404 HydrophobicContact CG-CG 4.35Å
355	A	95.9	Very high	94.8	Very high	21 Å²	21	39.8 Å²	39.8	17%	0.174	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	147	172.2	0	0	0	0	0	109.6	V361 F362 F404 Y414	A355-V361 WeakPolarHBondContact O-CA 3.07Å; A355-F362 HydrophobicContact CB-CD2 4.17Å; A355-F362 PolarHBondContact O-N 3.13Å; A355-F404 HydrophobicContact CB-CE1 3.96Å; A355-Y414 HydrophobicContact CB-CE1 4.29Å
356	A	94.6	Very high	95	Very high	35 Å²	35	40 Å²	40	29%	0.289	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.1	173.7	0	0	0	0	0	110.4	G309 I353 M360 V361	G309-A356 VanDerWaalsContact C-CB 3.46Å; I353-A356 HydrophobicContact CG2-CB 4.12Å; A356-M360 WeakPolarHBondContact CA-O 3.22Å; A356-V361 HydrophobicContact CB-CB 4.1Å; A356-V361 HydrophobicContact CB-CG2 4.04Å
357	N	90.4	Very high	95.1	Very high	53 Å²	53	42.7 Å²	42.7	28%	0.283	22%	0.22	S	C	.	.			trans	-132.1	-167.5	173.6	63.3	13	0	0	0	109.4	F312 D359 M360	F312-N357 WeakPolarHBondContact CE2-O 3.28Å; N357-D359 PolarHBondContact O-N 2.96Å; N357-D359 WeakPolarHBondContact OD1-CA 3.37Å; N357-D359 WeakPolarHBondContact OD1-CB 3.2Å; N357-D359 PolarHBondContact OD1-N 2.84Å; N357-M360 PolarHBondContact N-O 3.41Å; N357-M360 PolarHBondContact OD1-N 3.04Å; N357-M360 PolarHBondContact OD1-O 3.43Å
358	D	88.6	Confident	95.3	Very high	115 Å²	115	41.5 Å²	41.5	62%	0.615	22%	0.222	S	C	*	.	S	Bend	trans	-73.8	-15	178.1	-67.4	-31.6	0	0	0	113.5	R311	R311-D358 WeakPolarHBondContact CD-O 3.42Å
359	D	90.6	Very high	95.3	Very high	62 Å²	62	34.9 Å²	34.9	33%	0.332	20%	0.203	S	C	.	.	S	Bend	trans	-91.9	-45.9	-179.5	-69	-56.5	0	0	0	112.4	N357 D381 P719 G720	N357-D359 PolarHBondContact O-N 2.96Å; N357-D359 WeakPolarHBondContact OD1-CA 3.37Å; N357-D359 WeakPolarHBondContact OD1-CB 3.2Å; N357-D359 PolarHBondContact OD1-N 2.84Å; D359-D381 VanDerWaalsContact O-CA 3.26Å; D359-D381 WeakPolarHBondContact O-CA 3.41Å; D359-P719 HydrophobicContact CB-CB 4.05Å; D359-P719 VanDerWaalsContact O-CB 3.24Å; D359-P719 WeakPolarHBondContact O-CB 3.3Å; D359-G720 VanDerWaalsContact CG-CA 3.43Å; D359-G720 WeakPolarHBondContact OD1-CA 3.23Å; D359-G720 PolarHBondContact OD1-N 2.7Å
360	M	93.4	Very high	95.1	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.034	23%	0.232	C	C	.	.			trans	-160.8	178.3	-176.7	58.3	157.6	-107.1	0	0	114.3	A356 N357 F362 T378 S379 Q433 P719	A356-M360 WeakPolarHBondContact CA-O 3.22Å; N357-M360 PolarHBondContact N-O 3.41Å; N357-M360 PolarHBondContact OD1-N 3.04Å; N357-M360 PolarHBondContact OD1-O 3.43Å; M360-F362 HydrophobicContact CE-CD1 4.39Å; M360-F362 HydrophobicContact CE-CD2 3.4Å; M360-F362 VanDerWaalsContact CE-CD2 3.4Å; M360-F362 HydrophobicContact CE-CE1 4.36Å; M360-F362 HydrophobicContact CE-CE2 3.35Å; M360-F362 HydrophobicContact CE-CG 3.96Å; M360-F362 HydrophobicContact CE-CZ 3.87Å; M360-T378 HydrophobicContact CE-CG2 3.79Å; M360-S379 WeakPolarHBondContact CA-OG 3.3Å; M360-S379 WeakPolarHBondContact CB-OG 3.5Å; M360-Q433 HydrophobicContact CE-CG 3.94Å; M360-Q433 HydrophobicContact SD-CG 3.87Å; M360-Q433 PolarHBondContact SD-NE2 3.12Å; M360-P719 HydrophobicContact CB-CB 3.91Å; M360-P719 HydrophobicContact CB-CG 4.12Å; M360-P719 HydrophobicContact CG-CB 4.22Å
361	V	97	Very high	95	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.2	170.6	60.2	0	0	0	0	112.1	F314 I353 A355 A356 M363 S379 Y386	F314-V361 HydrophobicContact CE1-CG1 4.28Å; F314-V361 HydrophobicContact CE2-CB 4.49Å; F314-V361 HydrophobicContact CE2-CG1 4.41Å; F314-V361 HydrophobicContact CE2-CG2 4.36Å; F314-V361 HydrophobicContact CZ-CB 4.11Å; F314-V361 HydrophobicContact CZ-CG1 3.6Å; F314-V361 HydrophobicContact CZ-CG2 4.3Å; I353-V361 HydrophobicContact CG2-CG2 3.87Å; A355-V361 WeakPolarHBondContact O-CA 3.07Å; A356-V361 HydrophobicContact CB-CB 4.1Å; A356-V361 HydrophobicContact CB-CG2 4.04Å; V361-M363 HydrophobicContact CG2-CE 4.24Å; V361-S379 WeakPolarHBondContact CG1-OG 3.34Å; V361-S379 PolarHBondContact N-OG 2.84Å; V361-S379 PolarHBondContact O-N 2.92Å; V361-Y386 HydrophobicContact CG1-CE1 3.95Å; V361-Y386 WeakPolarHBondContact CG1-OH 3.39Å
362	F	97.6	Very high	94.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.5	157.4	-76.3	-90.7	0	0	0	108.8	L354 A355 M360 I376 T378 F404 Y414 Q433 W437	L354-F362 HydrophobicContact CB-CB 3.97Å; L354-F362 HydrophobicContact CD1-CB 4.5Å; L354-F362 PolarHBondContact N-O 3.2Å; A355-F362 HydrophobicContact CB-CD2 4.17Å; A355-F362 PolarHBondContact O-N 3.13Å; M360-F362 HydrophobicContact CE-CD1 4.39Å; M360-F362 HydrophobicContact CE-CD2 3.4Å; M360-F362 VanDerWaalsContact CE-CD2 3.4Å; M360-F362 HydrophobicContact CE-CE1 4.36Å; M360-F362 HydrophobicContact CE-CE2 3.35Å; M360-F362 HydrophobicContact CE-CG 3.96Å; M360-F362 HydrophobicContact CE-CZ 3.87Å; F362-I376 HydrophobicContact CD1-CG2 3.75Å; F362-T378 HydrophobicContact CD1-CG2 3.56Å; F362-T378 HydrophobicContact CE1-CG2 3.47Å; F362-T378 VanDerWaalsContact CE1-CG2 3.47Å; F362-T378 HydrophobicContact CG-CG2 4.3Å; F362-T378 HydrophobicContact CZ-CG2 4.14Å; F362-F404 HydrophobicContact CB-CZ 4.16Å; F362-F404 HydrophobicContact CD1-CE2 4.08Å; F362-F404 AromaticContact CD1-CZ 3.89Å; F362-F404 HydrophobicContact CD1-CZ 3.89Å; F362-F404 HydrophobicContact CD2-CZ 4.08Å; F362-F404 HydrophobicContact CE1-CE2 4.37Å; F362-F404 HydrophobicContact CE1-CZ 4.21Å; F362-F404 HydrophobicContact CE2-CZ 4.39Å; F362-F404 HydrophobicContact CG-CE2 4.4Å; F362-F404 AromaticContact CG-CZ 3.8Å; F362-F404 HydrophobicContact CG-CZ 3.8Å; F362-F404 HydrophobicContact CZ-CZ 4.44Å; F362-Y414 HydrophobicContact CD2-CE1 4.29Å; F362-Y414 HydrophobicContact CE2-CD1 4.1Å; F362-Y414 AromaticContact CE2-CD2 3.92Å; F362-Y414 HydrophobicContact CE2-CD2 3.92Å; F362-Y414 AromaticContact CE2-CE1 3.75Å; F362-Y414 HydrophobicContact CE2-CE1 3.75Å; F362-Y414 AromaticContact CE2-CE2 3.57Å; F362-Y414 HydrophobicContact CE2-CE2 3.57Å; F362-Y414 HydrophobicContact CE2-CG 4.19Å; F362-Y414 AromaticContact CE2-CZ 3.49Å; F362-Y414 VanDerWaalsContact CE2-CZ 3.49Å; F362-Y414 HydrophobicContact CZ-CD1 4.35Å; F362-Y414 AromaticContact CZ-CD2 3.69Å; F362-Y414 HydrophobicContact CZ-CD2 3.69Å; F362-Y414 HydrophobicContact CZ-CE1 4.4Å; F362-Y414 AromaticContact CZ-CE2 3.77Å; F362-Y414 HydrophobicContact CZ-CE2 3.77Å; F362-Y414 HydrophobicContact CZ-CG 4.02Å; F362-Q433 HydrophobicContact CE2-CG 4.22Å; F362-Q433 HydrophobicContact CZ-CG 4.34Å; F362-Q433 WeakPolarHBondContact CZ-O 3.41Å; F362-W437 HydrophobicContact CE1-CZ2 4.33Å
363	M	98.2	Very high	94.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.6	178.5	-169.9	69.6	66	0	0	110	F314 L342 I353 V361 F377 Y386	F314-M363 HydrophobicContact CD1-CE 4.21Å; F314-M363 HydrophobicContact CE1-CE 4.16Å; F314-M363 HydrophobicContact CG-CE 4.43Å; F314-M363 HydrophobicContact CZ-CE 4.33Å; L342-M363 HydrophobicContact CD1-CB 4.47Å; L342-M363 HydrophobicContact CD1-CG 3.87Å; I353-M363 HydrophobicContact CG1-CE 3.87Å; I353-M363 HydrophobicContact CG1-SD 4.04Å; V361-M363 HydrophobicContact CG2-CE 4.24Å; M363-F377 PolarHBondContact N-O 2.78Å; M363-F377 PolarHBondContact O-N 2.92Å; M363-Y386 HydrophobicContact CB-CE1 3.95Å
364	H	98.3	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.6	165.4	-177.9	77.4	0	0	0	110	F350 Y351 S352 L354 G374 T375 H393 Y395	F350-H364 AromaticContact CE2-CD2 3.6Å; F350-H364 AromaticContact CE2-NE2 3.97Å; F350-H364 AromaticContact CZ-CD2 3.99Å; F350-H364 AromaticContact CZ-NE2 3.87Å; Y351-H364 WeakPolarHBondContact CA-O 3.39Å; S352-H364 PolarHBondContact N-O 2.64Å; S352-H364 PolarHBondContact O-N 2.86Å; L354-H364 HydrophobicContact CD1-CB 4.02Å; L354-H364 HydrophobicContact CD2-CB 3.92Å; L354-H364 HydrophobicContact CG-CB 3.92Å; H364-G374 VanDerWaalsContact CE1-CA 3.4Å; H364-G374 WeakPolarHBondContact CE1-CA 3.31Å; H364-G374 PolarHBondContact CE1-N 2.6Å; H364-T375 WeakPolarHBondContact CA-O 3.17Å; H364-H393 AromaticContact CE1-ND1 3.54Å; H364-H393 AromaticContact ND1-ND1 3.17Å; H364-H393 PolarHBondContact ND1-ND1 2.83Å; H364-H393 VanDerWaalsContact ND1-ND1 3.17Å; H364-Y395 HydrophobicContact CB-CD2 4.35Å; H364-Y395 AromaticContact CD2-CD2 3.6Å; H364-Y395 AromaticContact CG-CD2 3.79Å; H364-Y395 WeakPolarHBondContact NE2-CB 3.34Å; H364-Y395 AromaticContact NE2-CD2 3.79Å; H364-Y395 AromaticContact NE2-CG 3.78Å
365	V	98.1	Very high	94.8	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.4	168.4	-173.3	0	0	0	0	107.3	L342 P343 V345 Y351 G374 T375 F377	L342-V365 HydrophobicContact CD2-CG2 4.11Å; P343-V365 HydrophobicContact CB-CG1 4.29Å; P343-V365 HydrophobicContact CG-CG1 4.42Å; V345-V365 HydrophobicContact CG1-CG1 3.71Å; Y351-V365 HydrophobicContact CD1-CB 4.43Å; Y351-V365 HydrophobicContact CD1-CG1 4.23Å; Y351-V365 HydrophobicContact CD1-CG2 3.98Å; Y351-V365 HydrophobicContact CE1-CG1 3.95Å; Y351-V365 HydrophobicContact CE1-CG2 4.04Å; V365-G374 CarbonylContact O-C 3.6Å; V365-G374 VanDerWaalsContact O-CA 3.27Å; V365-G374 WeakPolarHBondContact O-CA 3.32Å; V365-T375 PolarHBondContact N-O 3.49Å; V365-T375 PolarHBondContact O-N 3.36Å; V365-F377 HydrophobicContact CB-CD2 4.28Å; V365-F377 HydrophobicContact CB-CE2 3.96Å; V365-F377 HydrophobicContact CG2-CD2 3.62Å; V365-F377 HydrophobicContact CG2-CE2 3.63Å
366	D	97.5	Very high	94.9	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142	-180	-175.6	32	0	0	0	111.9	Q349 F350	Q349-D366 WeakPolarHBondContact CA-OD2 3.43Å; Q349-D366 HydrophobicContact CB-CB 4.3Å; Q349-D366 PolarHBondContact NE2-O 3.45Å; F350-D366 HydrophobicContact CD1-CB 3.7Å; F350-D366 VanDerWaalsContact CD1-CG 3.5Å; F350-D366 WeakPolarHBondContact CD1-OD2 3.35Å; F350-D366 HydrophobicContact CE1-CB 3.7Å; F350-D366 VanDerWaalsContact CE1-OD2 3.26Å; F350-D366 WeakPolarHBondContact CE1-OD2 3.35Å; F350-D366 HydrophobicContact CG-CB 4.11Å; F350-D366 HydrophobicContact CZ-CB 4.12Å; F350-D366 PolarHBondContact N-OD2 3.27Å; F350-D366 VanDerWaalsContact O-CB 3.25Å; F350-D366 WeakPolarHBondContact O-CB 3.24Å; F350-D366 PolarHBondContact O-N 3.15Å; F350-D366 VanDerWaalsContact O-N 3.14Å
367	E	95.7	Very high	95	Very high	75 Å²	75	33.8 Å²	33.8	35%	0.35	20%	0.197	S	C	.	.			trans	-81.9	147.1	-175.5	-160	60.8	-140.5	0	0	111.1	G369 T371 F373	E367-G369 PolarHBondContact O-N 2.75Å; E367-G369 VanDerWaalsContact O-N 3.11Å; E367-T371 HydrophobicContact CB-CG2 4.22Å; E367-T371 HydrophobicContact CG-CG2 4.46Å; E367-F373 HydrophobicContact CB-CD2 4.24Å; E367-F373 HydrophobicContact CB-CE2 4.16Å; E367-F373 VanDerWaalsContact CB-O 3.3Å; E367-F373 WeakPolarHBondContact CB-O 3.26Å; E367-F373 HydrophobicContact CG-CE2 4.05Å; E367-F373 PolarHBondContact N-O 3.05Å
368	P	94.3	Very high	95.1	Very high	88 Å²	88	31.6 Å²	31.6	57%	0.571	19%	0.186	S	C	*	.	S	Bend	trans	-64.5	114	-176.6	-22.9	34	0	0	0	114.4
369	G	91.9	Very high	95.4	Very high	43 Å²	43	26.1 Å²	26.1	44%	0.443	16%	0.156	S	C	.	.	S	Bend	trans	111.6	171.8	179	0	0	0	0	0	112.1	E367 T371	E367-G369 PolarHBondContact O-N 2.75Å; E367-G369 VanDerWaalsContact O-N 3.11Å; G369-T371 PolarHBondContact O-N 3Å
370	D	90.5	Very high	95.4	Very high	140 Å²	140	23.3 Å²	23.3	75%	0.749	14%	0.141	S	C	*	.	S	Bend	trans	-77.7	73.9	-179.7	-164.4	30.1	0	0	0	111	T397	D370-T397 WeakPolarHBondContact OD1-CB 3.49Å; D370-T397 PolarHBondContact OD1-OG1 2.87Å
371	T	93.4	Very high	95.2	Very high	45 Å²	45	25.7 Å²	25.7	28%	0.276	15%	0.154	S	C	.	.			trans	-92.7	-27.7	-175.9	62.3	0	0	0	0	113	E367 G369 F373	E367-T371 HydrophobicContact CB-CG2 4.22Å; E367-T371 HydrophobicContact CG-CG2 4.46Å; G369-T371 PolarHBondContact O-N 3Å; T371-F373 HydrophobicContact CG2-CE1 4.42Å; T371-F373 HydrophobicContact CG2-CZ 4.36Å; T371-F373 WeakPolarHBondContact O-CD1 3.33Å; T371-F373 PolarHBondContact O-N 3.42Å; T371-F373 PolarHBondContact OG1-N 2.96Å; T371-F373 PolarHBondContact OG1-O 3.19Å
372	G	94	Very high	94.9	Very high	16 Å²	16	28.6 Å²	28.6	17%	0.165	17%	0.165	C	C	.	.	S	Bend	trans	70.2	14.3	-170.1	0	0	0	0	0	114.5	Y395	G372-Y395 CarbonylContact C-O 3.59Å; G372-Y395 CarbonylContact O-C 3.59Å; G372-Y395 PolarHBondContact O-N 2.84Å; G372-Y395 VanDerWaalsContact O-N 3.13Å
373	F	96.9	Very high	94.8	Very high	30 Å²	30	28.5 Å²	28.5	13%	0.132	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	167.6	176.8	67.7	-103.3	0	0	0	112.9	E367 T371 R392 H393 L419	E367-F373 HydrophobicContact CB-CD2 4.24Å; E367-F373 HydrophobicContact CB-CE2 4.16Å; E367-F373 VanDerWaalsContact CB-O 3.3Å; E367-F373 WeakPolarHBondContact CB-O 3.26Å; E367-F373 HydrophobicContact CG-CE2 4.05Å; E367-F373 PolarHBondContact N-O 3.05Å; T371-F373 HydrophobicContact CG2-CE1 4.42Å; T371-F373 HydrophobicContact CG2-CZ 4.36Å; T371-F373 WeakPolarHBondContact O-CD1 3.33Å; T371-F373 PolarHBondContact O-N 3.42Å; T371-F373 PolarHBondContact OG1-N 2.96Å; T371-F373 PolarHBondContact OG1-O 3.19Å; F373-R392 HydrophobicContact CD2-CB 4.12Å; F373-R392 HydrophobicContact CD2-CG 4.11Å; F373-R392 HydrophobicContact CE2-CB 4.41Å; F373-R392 HydrophobicContact CE2-CG 3.91Å; F373-R392 HydrophobicContact CG-CB 4.4Å; F373-R392 HydrophobicContact CZ-CG 4.33Å; F373-H393 CarbonylContact C-O 3.47Å; F373-H393 WeakPolarHBondContact CA-O 3.4Å; F373-H393 WeakPolarHBondContact CB-O 3.36Å; F373-L419 HydrophobicContact CD1-CB 4.43Å; F373-L419 HydrophobicContact CD1-CD2 3.68Å; F373-L419 HydrophobicContact CE1-CD2 4.1Å
374	G	97	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	-159.1	174.2	0	0	0	0	0	112.3	H364 V365 R392 H393	H364-G374 VanDerWaalsContact CE1-CA 3.4Å; H364-G374 WeakPolarHBondContact CE1-CA 3.31Å; H364-G374 PolarHBondContact CE1-N 2.6Å; V365-G374 CarbonylContact O-C 3.6Å; V365-G374 VanDerWaalsContact O-CA 3.27Å; V365-G374 WeakPolarHBondContact O-CA 3.32Å; G374-R392 CarbonylContact O-C 3.57Å; G374-R392 WeakPolarHBondContact O-CA 3.48Å; G374-R392 PolarHBondContact O-N 3.25Å; G374-H393 PolarHBondContact N-O 3.15Å; G374-H393 WeakPolarHBondContact O-CB 3.35Å; G374-H393 PolarHBondContact O-N 3.03Å
375	T	97.7	Very high	94.1	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.1	-178.7	-65.1	0	0	0	0	110.8	H364 V365 F377 K388 L390	H364-T375 WeakPolarHBondContact CA-O 3.17Å; V365-T375 PolarHBondContact N-O 3.49Å; V365-T375 PolarHBondContact O-N 3.36Å; T375-F377 HydrophobicContact CG2-CD2 3.81Å; T375-F377 HydrophobicContact CG2-CE1 4.42Å; T375-F377 HydrophobicContact CG2-CE2 3.34Å; T375-F377 HydrophobicContact CG2-CZ 3.69Å; T375-K388 HydrophobicContact CG2-CD 4.15Å; T375-K388 VanDerWaalsContact CG2-CE 3.43Å; T375-K388 HydrophobicContact CG2-CG 3.62Å; T375-L390 WeakPolarHBondContact CA-O 3.12Å
376	I	97.9	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.6	166.3	-55.8	-173.2	0	0	0	109.6	L354 F362 S389 L390 H393 F404 T416 W437	L354-I376 HydrophobicContact CD1-CD1 3.83Å; L354-I376 HydrophobicContact CD1-CG1 3.86Å; L354-I376 HydrophobicContact CD1-CG2 4.27Å; F362-I376 HydrophobicContact CD1-CG2 3.75Å; I376-S389 PolarHBondContact O-N 3.39Å; I376-L390 HydrophobicContact CB-CB 3.98Å; I376-L390 HydrophobicContact CD1-CB 4.04Å; I376-L390 HydrophobicContact CD1-CD2 3.96Å; I376-L390 HydrophobicContact CG1-CB 4.07Å; I376-L390 PolarHBondContact N-O 3.07Å; I376-L390 PolarHBondContact O-N 3.04Å; I376-H393 HydrophobicContact CD1-CB 4.35Å; I376-H393 HydrophobicContact CG1-CB 3.82Å; I376-F404 HydrophobicContact CD1-CD2 3.83Å; I376-F404 HydrophobicContact CD1-CE2 3.87Å; I376-T416 HydrophobicContact CD1-CG2 4.31Å; I376-W437 HydrophobicContact CD1-CH2 4.47Å; I376-W437 HydrophobicContact CD1-CZ2 4.15Å
377	F	95.4	Very high	93.3	Very high	14 Å²	14	31.4 Å²	31.4	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.6	167.4	-64.8	-98.5	0	0	0	110.9	L342 P343 M363 V365 T375 Y386 S387 K388	L342-F377 HydrophobicContact CD2-CB 3.81Å; L342-F377 HydrophobicContact CD2-CD1 4.02Å; L342-F377 HydrophobicContact CD2-CD2 3.91Å; L342-F377 HydrophobicContact CD2-CE2 4.46Å; L342-F377 HydrophobicContact CD2-CG 3.66Å; P343-F377 HydrophobicContact CG-CE2 4.42Å; P343-F377 HydrophobicContact CG-CZ 4.02Å; M363-F377 PolarHBondContact N-O 2.78Å; M363-F377 PolarHBondContact O-N 2.92Å; V365-F377 HydrophobicContact CB-CD2 4.28Å; V365-F377 HydrophobicContact CB-CE2 3.96Å; V365-F377 HydrophobicContact CG2-CD2 3.62Å; V365-F377 HydrophobicContact CG2-CE2 3.63Å; T375-F377 HydrophobicContact CG2-CD2 3.81Å; T375-F377 HydrophobicContact CG2-CE1 4.42Å; T375-F377 HydrophobicContact CG2-CE2 3.34Å; T375-F377 HydrophobicContact CG2-CZ 3.69Å; F377-Y386 HydrophobicContact CB-CD1 3.77Å; F377-Y386 HydrophobicContact CB-CG 4.34Å; F377-S387 CarbonylContact C-O 3.5Å; F377-S387 WeakPolarHBondContact CA-O 3.5Å; F377-K388 HydrophobicContact CD1-CB 4.33Å; F377-K388 HydrophobicContact CE1-CB 4.16Å; F377-K388 HydrophobicContact CE1-CG 4.25Å
378	T	93.7	Very high	92.9	Very high	7 Å²	7	33 Å²	33	4%	0.043	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.9	172.8	46.8	0	0	0	0	110.2	M360 F362 Y386 S387	M360-T378 HydrophobicContact CE-CG2 3.79Å; F362-T378 HydrophobicContact CD1-CG2 3.56Å; F362-T378 HydrophobicContact CE1-CG2 3.47Å; F362-T378 VanDerWaalsContact CE1-CG2 3.47Å; F362-T378 HydrophobicContact CG-CG2 4.3Å; F362-T378 HydrophobicContact CZ-CG2 4.14Å; T378-Y386 CarbonylContact O-C 3.51Å; T378-Y386 WeakPolarHBondContact O-CA 3.3Å; T378-S387 PolarHBondContact N-O 2.92Å; T378-S387 PolarHBondContact O-N 2.59Å
379	S	94.3	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	166.1	-174.8	81.7	0	0	0	0	114.3	M360 V361 V385 Y386 P719	M360-S379 WeakPolarHBondContact CA-OG 3.3Å; M360-S379 WeakPolarHBondContact CB-OG 3.5Å; V361-S379 WeakPolarHBondContact CG1-OG 3.34Å; V361-S379 PolarHBondContact N-OG 2.84Å; V361-S379 PolarHBondContact O-N 2.92Å; S379-V385 CarbonylContact C-O 3.58Å; S379-V385 WeakPolarHBondContact CA-O 3.11Å; S379-Y386 VanDerWaalsContact CB-CE1 3.41Å; S379-P719 WeakPolarHBondContact O-CG 3.41Å
380	D	90.5	Very high	92.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	15%	0.152	C	C	.	.			trans	-74.7	173.1	155.9	78.7	-10.9	0	0	0	112.5	R382 G383 I384 V385 R716	D380-R382 PolarHBondContact O-N 2.78Å; D380-R382 WeakPolarHBondContact OD1-CB 3.36Å; D380-R382 PolarHBondContact OD1-N 3.49Å; D380-R382 VanDerWaalsContact OD1-N 3.13Å; D380-R382 IonicContact OD2-CZ 3.95Å; D380-R382 IonicContact OD2-NE 3.22Å; D380-R382 PolarHBondContact OD2-NE 3.44Å; D380-R382 IonicContact OD2-NH2 3.87Å; D380-R382 PolarHBondContact OD2-NH2 3Å; D380-G383 PolarHBondContact O-N 3.27Å; D380-G383 PolarHBondContact OD1-N 3.47Å; D380-I384 PolarHBondContact OD1-N 3.36Å; D380-V385 HydrophobicContact CB-CB 4.09Å; D380-V385 PolarHBondContact N-O 3.45Å; D380-V385 PolarHBondContact OD1-N 3.31Å; D380-R716 IonicContact OD2-CZ 3.92Å; D380-R716 IonicContact OD2-NH1 3.85Å; D380-R716 PolarHBondContact OD2-NH1 2.03Å; D380-R716 IonicContact OD2-NH2 2.86Å; D380-R716 PolarHBondContact OD2-NH2 3.18Å
381	D	90.1	Very high	93	Very high	58 Å²	58	26 Å²	26	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	3.2	178.9	55.8	-91.6	0	0	0	115.6	R311 D359 R716 P719	R311-D381 PolarHBondContact NH1-O 2.74Å; D359-D381 VanDerWaalsContact O-CA 3.26Å; D359-D381 WeakPolarHBondContact O-CA 3.41Å; D381-R716 IonicContact OD1-CZ 2.77Å; D381-R716 IonicContact OD1-NE 3.3Å; D381-R716 PolarHBondContact OD1-NE 3.02Å; D381-R716 IonicContact OD1-NH2 3.89Å; D381-R716 PolarHBondContact OD1-NH2 3.04Å; D381-R716 IonicContact OD2-CZ 2.79Å; D381-R716 IonicContact OD2-NH2 2.7Å; D381-R716 PolarHBondContact OD2-NH2 3.41Å; D381-P719 HydrophobicContact CB-CB 4.27Å; D381-P719 HydrophobicContact CB-CG 4.32Å
382	R	90.9	Very high	93.2	Very high	61 Å²	61	26.1 Å²	26.1	23%	0.23	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-13.4	172.2	-54.8	172.7	-61.1	-169.4	4.5	112	F312 D380 I384 H709 R716	F312-R382 VanDerWaalsContact CE1-C 3.44Å; D380-R382 PolarHBondContact O-N 2.78Å; D380-R382 WeakPolarHBondContact OD1-CB 3.36Å; D380-R382 PolarHBondContact OD1-N 3.49Å; D380-R382 VanDerWaalsContact OD1-N 3.13Å; D380-R382 IonicContact OD2-CZ 3.95Å; D380-R382 IonicContact OD2-NE 3.22Å; D380-R382 PolarHBondContact OD2-NE 3.44Å; D380-R382 IonicContact OD2-NH2 3.87Å; D380-R382 PolarHBondContact OD2-NH2 3Å; R382-I384 VanDerWaalsContact C-N 3.32Å; R382-I384 HydrophobicContact CB-CB 4.12Å; R382-I384 HydrophobicContact CB-CD1 3.55Å; R382-I384 HydrophobicContact CB-CG1 3.71Å; R382-I384 HydrophobicContact CG-CD1 4.42Å; R382-H709 PolarHBondContact NH1-ND1 2.91Å; R382-R716 VanDerWaalsContact NH2-NH1 3.12Å
383	G	94.1	Very high	93.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	73.3	21.3	-171	0	0	0	0	0	113.6	V329 D380 Y386	V329-G383 WeakPolarHBondContact CG1-O 3Å; D380-G383 PolarHBondContact O-N 3.27Å; D380-G383 PolarHBondContact OD1-N 3.47Å; G383-Y386 WeakPolarHBondContact O-CE2 3.47Å; G383-Y386 PolarHBondContact O-OH 2.76Å
384	I	92.6	Very high	93.4	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.051	12%	0.121	C	C	.	.			trans	-111.8	-56.2	-166.3	-64.5	175.2	0	0	0	112.3	V329 Q341 D380 R382 Y386 F701 H709	V329-I384 HydrophobicContact CG1-CD1 4.41Å; V329-I384 HydrophobicContact CG1-CG1 3.47Å; V329-I384 VanDerWaalsContact CG1-CG1 3.47Å; Q341-I384 WeakPolarHBondContact CB-O 3.43Å; Q341-I384 PolarHBondContact N-O 3.33Å; D380-I384 PolarHBondContact OD1-N 3.36Å; R382-I384 VanDerWaalsContact C-N 3.32Å; R382-I384 HydrophobicContact CB-CB 4.12Å; R382-I384 HydrophobicContact CB-CD1 3.55Å; R382-I384 HydrophobicContact CB-CG1 3.71Å; R382-I384 HydrophobicContact CG-CD1 4.42Å; I384-Y386 WeakPolarHBondContact O-CD2 3.41Å; I384-F701 HydrophobicContact CG2-CE2 4Å; I384-F701 HydrophobicContact CG2-CZ 3.94Å; I384-H709 WeakPolarHBondContact CD1-NE2 3.37Å
385	V	90	Very high	93.5	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.055	13%	0.126	C	C	.	.	S	Bend	trans	-88.5	139.5	177.6	168.3	0	0	0	0	107.5	S379 D380 F677	S379-V385 CarbonylContact C-O 3.58Å; S379-V385 WeakPolarHBondContact CA-O 3.11Å; D380-V385 HydrophobicContact CB-CB 4.09Å; D380-V385 PolarHBondContact N-O 3.45Å; D380-V385 PolarHBondContact OD1-N 3.31Å; V385-F677 HydrophobicContact CG2-CB 4.4Å
386	Y	91.1	Very high	93.2	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.047	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.3	-176.1	-75.4	-97.2	0	0	0	111.7	A340 L342 V361 M363 F377 T378 S379 G383 I384	A340-Y386 HydrophobicContact CB-CD2 4.38Å; A340-Y386 HydrophobicContact CB-CE2 3.75Å; L342-Y386 HydrophobicContact CD1-CD1 4.48Å; L342-Y386 HydrophobicContact CD1-CD2 4.24Å; L342-Y386 HydrophobicContact CD1-CE1 4.15Å; L342-Y386 HydrophobicContact CD1-CE2 3.95Å; L342-Y386 HydrophobicContact CD2-CD1 3.81Å; L342-Y386 HydrophobicContact CD2-CD2 4Å; L342-Y386 HydrophobicContact CD2-CE1 4.28Å; L342-Y386 HydrophobicContact CD2-CE2 4.49Å; L342-Y386 HydrophobicContact CD2-CG 3.64Å; L342-Y386 HydrophobicContact CG-CD1 4.32Å; L342-Y386 HydrophobicContact CG-CD2 3.76Å; L342-Y386 HydrophobicContact CG-CE1 4.46Å; L342-Y386 HydrophobicContact CG-CE2 3.98Å; L342-Y386 HydrophobicContact CG-CG 3.97Å; V361-Y386 HydrophobicContact CG1-CE1 3.95Å; V361-Y386 WeakPolarHBondContact CG1-OH 3.39Å; M363-Y386 HydrophobicContact CB-CE1 3.95Å; F377-Y386 HydrophobicContact CB-CD1 3.77Å; F377-Y386 HydrophobicContact CB-CG 4.34Å; T378-Y386 CarbonylContact O-C 3.51Å; T378-Y386 WeakPolarHBondContact O-CA 3.3Å; S379-Y386 VanDerWaalsContact CB-CE1 3.41Å; G383-Y386 WeakPolarHBondContact O-CE2 3.47Å; G383-Y386 PolarHBondContact O-OH 2.76Å; I384-Y386 WeakPolarHBondContact O-CD2 3.41Å
387	S	86.6	Confident	92.6	Very high	42 Å²	42	29.3 Å²	29.3	29%	0.294	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.6	167.6	-157.5	0	0	0	0	109.9	F377 T378 S389	F377-S387 CarbonylContact C-O 3.5Å; F377-S387 WeakPolarHBondContact CA-O 3.5Å; T378-S387 PolarHBondContact N-O 2.92Å; T378-S387 PolarHBondContact O-N 2.59Å; S387-S389 PolarHBondContact O-N 2.87Å
388	K	88.5	Confident	91.7	Very high	108 Å²	108	34.7 Å²	34.7	47%	0.47	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123.7	169.5	-164.7	-174.1	-170.8	-165.2	0	108.2	T375 F377 D391	T375-K388 HydrophobicContact CG2-CD 4.15Å; T375-K388 VanDerWaalsContact CG2-CE 3.43Å; T375-K388 HydrophobicContact CG2-CG 3.62Å; F377-K388 HydrophobicContact CD1-CB 4.33Å; F377-K388 HydrophobicContact CE1-CB 4.16Å; F377-K388 HydrophobicContact CE1-CG 4.25Å; K388-D391 VanDerWaalsContact CE-OD1 3.28Å; K388-D391 WeakPolarHBondContact CE-OD1 3.42Å; K388-D391 VanDerWaalsContact CE-OD2 3.25Å; K388-D391 WeakPolarHBondContact CE-OD2 3.34Å; K388-D391 IonicContact NZ-OD1 2.68Å; K388-D391 PolarHBondContact NZ-OD1 3.13Å; K388-D391 IonicContact NZ-OD2 2.61Å; K388-D391 PolarHBondContact NZ-OD2 3.45Å
389	S	89.4	Confident	90.8	Very high	21 Å²	21	37.6 Å²	37.6	15%	0.147	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-44.9	-171.1	177.2	0	0	0	0	112.9	I376 S387 G434 W437	I376-S389 PolarHBondContact O-N 3.39Å; S387-S389 PolarHBondContact O-N 2.87Å; S389-G434 WeakPolarHBondContact OG-CA 3.35Å; S389-G434 PolarHBondContact OG-O 2.95Å; S389-W437 PolarHBondContact O-NE1 2.89Å; S389-W437 PolarHBondContact OG-NE1 3.12Å
390	L	93.6	Very high	90.6	Very high	18 Å²	18	39.2 Å²	39.2	9%	0.094	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	130.5	-179.3	-169.2	60.2	0	0	0	111.8	T375 I376 T416 V418 W437	T375-L390 WeakPolarHBondContact CA-O 3.12Å; I376-L390 HydrophobicContact CB-CB 3.98Å; I376-L390 HydrophobicContact CD1-CB 4.04Å; I376-L390 HydrophobicContact CD1-CD2 3.96Å; I376-L390 HydrophobicContact CG1-CB 4.07Å; I376-L390 PolarHBondContact N-O 3.07Å; I376-L390 PolarHBondContact O-N 3.04Å; L390-T416 HydrophobicContact CD2-CG2 3.43Å; L390-T416 VanDerWaalsContact CD2-CG2 3.43Å; L390-V418 HydrophobicContact CD1-CG1 3.93Å; L390-V418 HydrophobicContact CD2-CG1 3.61Å; L390-V418 HydrophobicContact CG-CG1 3.77Å; L390-W437 HydrophobicContact CD1-CB 4.02Å; L390-W437 HydrophobicContact CD1-CD2 4.22Å; L390-W437 HydrophobicContact CD1-CG 3.81Å; L390-W437 HydrophobicContact CD2-CD2 3.93Å; L390-W437 HydrophobicContact CD2-CE3 4.12Å; L390-W437 HydrophobicContact CD2-CG 4.4Å; L390-W437 HydrophobicContact CD2-CH2 4.37Å; L390-W437 HydrophobicContact CD2-CZ2 4.19Å; L390-W437 HydrophobicContact CD2-CZ3 4.34Å; L390-W437 HydrophobicContact CG-CD2 4.48Å; L390-W437 HydrophobicContact CG-CG 4.48Å
391	D	94.9	Very high	90.8	Very high	86 Å²	86	42.1 Å²	42.1	46%	0.46	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	154.7	173.2	-94.3	-68	0	0	0	112.4	K388 H393	K388-D391 VanDerWaalsContact CE-OD1 3.28Å; K388-D391 WeakPolarHBondContact CE-OD1 3.42Å; K388-D391 VanDerWaalsContact CE-OD2 3.25Å; K388-D391 WeakPolarHBondContact CE-OD2 3.34Å; K388-D391 IonicContact NZ-OD1 2.68Å; K388-D391 PolarHBondContact NZ-OD1 3.13Å; K388-D391 IonicContact NZ-OD2 2.61Å; K388-D391 PolarHBondContact NZ-OD2 3.45Å; D391-H393 PolarHBondContact O-N 3.27Å; D391-H393 VanDerWaalsContact O-N 3.09Å
392	R	97.3	Very high	91.1	Very high	47 Å²	47	40.4 Å²	40.4	18%	0.177	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.7	37	171.9	-57.9	178.5	63.9	107.8	0.3	114.3	F373 G374 L394 V418 L419 S420 E421	F373-R392 HydrophobicContact CD2-CB 4.12Å; F373-R392 HydrophobicContact CD2-CG 4.11Å; F373-R392 HydrophobicContact CE2-CB 4.41Å; F373-R392 HydrophobicContact CE2-CG 3.91Å; F373-R392 HydrophobicContact CG-CB 4.4Å; F373-R392 HydrophobicContact CZ-CG 4.33Å; G374-R392 CarbonylContact O-C 3.57Å; G374-R392 WeakPolarHBondContact O-CA 3.48Å; G374-R392 PolarHBondContact O-N 3.25Å; R392-L394 PolarHBondContact O-N 2.82Å; R392-V418 CarbonylContact O-C 3.52Å; R392-V418 VanDerWaalsContact O-CA 3.27Å; R392-V418 WeakPolarHBondContact O-CA 3Å; R392-L419 WeakPolarHBondContact CB-O 3.48Å; R392-L419 PolarHBondContact NE-O 2.84Å; R392-L419 PolarHBondContact O-N 2.84Å; R392-S420 PolarHBondContact NH2-O 3.25Å; R392-E421 WeakPolarHBondContact CD-OE1 3.48Å; R392-E421 VanDerWaalsContact CZ-CD 3.46Å; R392-E421 IonicContact CZ-OE1 3.21Å; R392-E421 VanDerWaalsContact CZ-OE1 3.3Å; R392-E421 IonicContact CZ-OE2 3.59Å; R392-E421 IonicContact NE-OE1 2.74Å; R392-E421 IonicContact NH1-OE1 2.75Å; R392-E421 PolarHBondContact NH1-OE1 2.68Å; R392-E421 IonicContact NH1-OE2 3.77Å; R392-E421 PolarHBondContact NH1-OE2 3.24Å; R392-E421 IonicContact NH2-OE2 2.69Å
393	H	98.5	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.2	177.5	174.9	-105.5	0	0	0	111.5	H364 F373 G374 I376 D391 Y395 T402 F404 T416	H364-H393 AromaticContact CE1-ND1 3.54Å; H364-H393 AromaticContact ND1-ND1 3.17Å; H364-H393 PolarHBondContact ND1-ND1 2.83Å; H364-H393 VanDerWaalsContact ND1-ND1 3.17Å; F373-H393 CarbonylContact C-O 3.47Å; F373-H393 WeakPolarHBondContact CA-O 3.4Å; F373-H393 WeakPolarHBondContact CB-O 3.36Å; G374-H393 PolarHBondContact N-O 3.15Å; G374-H393 WeakPolarHBondContact O-CB 3.35Å; G374-H393 PolarHBondContact O-N 3.03Å; I376-H393 HydrophobicContact CD1-CB 4.35Å; I376-H393 HydrophobicContact CG1-CB 3.82Å; D391-H393 PolarHBondContact O-N 3.27Å; D391-H393 VanDerWaalsContact O-N 3.09Å; H393-Y395 PolarHBondContact O-N 2.91Å; H393-T402 PolarHBondContact CE1-OG1 2.94Å; H393-T402 PolarHBondContact NE2-OG1 2.85Å; H393-F404 AromaticContact NE2-CD2 3.96Å; H393-T416 PolarHBondContact CD2-OG1 3.33Å; H393-T416 VanDerWaalsContact CD2-OG1 3.23Å; H393-T416 PolarHBondContact NE2-OG1 2.94Å
394	L	98.1	Very high	91.7	Very high	7 Å²	7	39 Å²	39	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	118.2	-176.2	-171.6	71.8	0	0	0	111.3	R392 T402 S417 I425 Y466	R392-L394 PolarHBondContact O-N 2.82Å; L394-T402 WeakPolarHBondContact O-CB 3.39Å; L394-T402 PolarHBondContact O-OG1 3.35Å; L394-S417 WeakPolarHBondContact CB-O 3.33Å; L394-S417 PolarHBondContact N-O 3.47Å; L394-I425 HydrophobicContact CD2-CD1 3.98Å; L394-I425 HydrophobicContact CD2-CG2 3.91Å; L394-Y466 HydrophobicContact CD2-CD1 3.86Å; L394-Y466 HydrophobicContact CD2-CD2 3.92Å; L394-Y466 HydrophobicContact CD2-CE1 4.36Å; L394-Y466 HydrophobicContact CD2-CE2 4.39Å; L394-Y466 HydrophobicContact CD2-CG 3.63Å; L394-Y466 HydrophobicContact CG-CD2 4.44Å
395	Y	97.8	Very high	92	Very high	30 Å²	30	39.8 Å²	39.8	12%	0.118	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-152.8	113.4	175.4	-152.3	-48.2	0	0	0	108.7	F350 S352 L354 H364 G372 H393 G400 E401 T402	F350-Y395 AromaticContact CE2-CD1 3.56Å; F350-Y395 HydrophobicContact CE2-CD1 3.56Å; F350-Y395 HydrophobicContact CE2-CD2 4.09Å; F350-Y395 AromaticContact CE2-CE1 3.6Å; F350-Y395 HydrophobicContact CE2-CE1 3.6Å; F350-Y395 HydrophobicContact CE2-CE2 4.12Å; F350-Y395 AromaticContact CE2-CG 3.83Å; F350-Y395 HydrophobicContact CE2-CG 3.83Å; F350-Y395 AromaticContact CE2-CZ 3.9Å; F350-Y395 AromaticContact CZ-CD1 3.37Å; F350-Y395 HydrophobicContact CZ-CD1 3.37Å; F350-Y395 HydrophobicContact CZ-CD2 4.4Å; F350-Y395 AromaticContact CZ-CE1 3.85Å; F350-Y395 HydrophobicContact CZ-CE1 3.85Å; F350-Y395 AromaticContact CZ-CG 3.71Å; F350-Y395 HydrophobicContact CZ-CG 3.71Å; S352-Y395 PolarHBondContact OG-OH 2.57Å; L354-Y395 HydrophobicContact CD2-CD2 4.11Å; L354-Y395 HydrophobicContact CD2-CE2 3.7Å; H364-Y395 HydrophobicContact CB-CD2 4.35Å; H364-Y395 AromaticContact CD2-CD2 3.6Å; H364-Y395 AromaticContact CG-CD2 3.79Å; H364-Y395 WeakPolarHBondContact NE2-CB 3.34Å; H364-Y395 AromaticContact NE2-CD2 3.79Å; H364-Y395 AromaticContact NE2-CG 3.78Å; G372-Y395 CarbonylContact C-O 3.59Å; G372-Y395 CarbonylContact O-C 3.59Å; G372-Y395 PolarHBondContact O-N 2.84Å; G372-Y395 VanDerWaalsContact O-N 3.13Å; H393-Y395 PolarHBondContact O-N 2.91Å; Y395-G400 WeakPolarHBondContact CE1-O 3.47Å; Y395-E401 WeakPolarHBondContact CA-O 3.46Å; Y395-T402 HydrophobicContact CD2-CG2 3.94Å; Y395-T402 HydrophobicContact CE2-CG2 3.68Å; Y395-T402 HydrophobicContact CG-CG2 4.49Å
396	T	92.8	Very high	92.3	Very high	21 Å²	21	42.7 Å²	42.7	13%	0.129	25%	0.252	C	S	.	.			trans	-83.7	129.6	-169.9	64.2	0	0	0	0	113.7	T398 G400 E401 Y466	T396-T398 VanDerWaalsContact C-N 3.25Å; T396-T398 VanDerWaalsContact CB-O 3.31Å; T396-T398 WeakPolarHBondContact CB-O 3.44Å; T396-T398 PolarHBondContact O-N 2.93Å; T396-T398 PolarHBondContact OG1-O 2.7Å; T396-G400 VanDerWaalsContact O-CA 3.23Å; T396-G400 WeakPolarHBondContact O-CA 3.47Å; T396-G400 PolarHBondContact O-N 2.78Å; T396-G400 VanDerWaalsContact O-N 3.07Å; T396-E401 HydrophobicContact CG2-CB 4.48Å; T396-E401 PolarHBondContact N-O 3.01Å; T396-E401 WeakPolarHBondContact OG1-CB 3.41Å; T396-E401 PolarHBondContact OG1-N 3.46Å; T396-Y466 HydrophobicContact CG2-CD2 3.63Å; T396-Y466 HydrophobicContact CG2-CE2 3.61Å
397	T	84.5	Confident	92.7	Very high	63 Å²	63	42.1 Å²	42.1	39%	0.387	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-42.9	172.2	-20.7	0	0	0	0	112	D370	D370-T397 WeakPolarHBondContact OD1-CB 3.49Å; D370-T397 PolarHBondContact OD1-OG1 2.87Å
398	T	76.6	Confident	93.2	Very high	126 Å²	126	42.9 Å²	42.9	77%	0.773	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	126.8	173.6	-63.8	0	0	0	0	109.9	T396 G400	T396-T398 VanDerWaalsContact C-N 3.25Å; T396-T398 VanDerWaalsContact CB-O 3.31Å; T396-T398 WeakPolarHBondContact CB-O 3.44Å; T396-T398 PolarHBondContact O-N 2.93Å; T396-T398 PolarHBondContact OG1-O 2.7Å; T398-G400 VanDerWaalsContact C-N 3.28Å; T398-G400 PolarHBondContact O-N 3.32Å
399	G	74.1	Confident	93.7	Very high	68 Å²	68	38 Å²	38	70%	0.701	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-35.6	-177.6	0	0	0	0	0	113.9
400	G	90.3	Very high	94.1	Very high	34 Å²	34	37.4 Å²	37.4	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	29.4	-175	0	0	0	0	0	113	Y395 T396 T398	Y395-G400 WeakPolarHBondContact CE1-O 3.47Å; T396-G400 VanDerWaalsContact O-CA 3.23Å; T396-G400 WeakPolarHBondContact O-CA 3.47Å; T396-G400 PolarHBondContact O-N 2.78Å; T396-G400 VanDerWaalsContact O-N 3.07Å; T398-G400 VanDerWaalsContact C-N 3.28Å; T398-G400 PolarHBondContact O-N 3.32Å
401	E	94.5	Very high	94.1	Very high	64 Å²	64	38.8 Å²	38.8	30%	0.299	23%	0.232	S	C	.	.			trans	-82.6	135	-172.8	-56.8	-72.1	-177.4	0	0	110.8	Y395 T396	Y395-E401 WeakPolarHBondContact CA-O 3.46Å; T396-E401 HydrophobicContact CG2-CB 4.48Å; T396-E401 PolarHBondContact N-O 3.01Å; T396-E401 WeakPolarHBondContact OG1-CB 3.41Å; T396-E401 PolarHBondContact OG1-N 3.46Å
402	T	97.6	Very high	94	Very high	22 Å²	22	35 Å²	35	14%	0.135	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-147.6	150.4	172.5	-171.8	0	0	0	0	110.9	H393 L394 Y395 F404 S465	H393-T402 PolarHBondContact CE1-OG1 2.94Å; H393-T402 PolarHBondContact NE2-OG1 2.85Å; L394-T402 WeakPolarHBondContact O-CB 3.39Å; L394-T402 PolarHBondContact O-OG1 3.35Å; Y395-T402 HydrophobicContact CD2-CG2 3.94Å; Y395-T402 HydrophobicContact CE2-CG2 3.68Å; Y395-T402 HydrophobicContact CG-CG2 4.49Å; T402-F404 VanDerWaalsContact C-N 3.34Å; T402-F404 HydrophobicContact CG2-CB 4.31Å; T402-S465 WeakPolarHBondContact O-CB 3.43Å; T402-S465 PolarHBondContact O-OG 2.62Å
403	D	98.3	Very high	94.1	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	20%	0.204	C	C	.	.			trans	-91	4.3	-179.7	-67.9	-24.6	0	0	0	112.8	T405 S417 A464 S465 Y466	D403-T405 PolarHBondContact O-N 2.88Å; D403-T405 VanDerWaalsContact O-N 3.08Å; D403-T405 PolarHBondContact O-OG1 2.68Å; D403-S417 WeakPolarHBondContact CB-OG 3.42Å; D403-S417 VanDerWaalsContact OD2-CB 3.26Å; D403-S417 WeakPolarHBondContact OD2-CB 3.39Å; D403-S417 PolarHBondContact OD2-OG 3.48Å; D403-A464 HydrophobicContact CB-CB 3.93Å; D403-A464 WeakPolarHBondContact OD1-CB 3.43Å; D403-S465 PolarHBondContact OD1-N 2.94Å; D403-S465 VanDerWaalsContact OD1-N 3.08Å; D403-Y466 WeakPolarHBondContact OD1-CB 3.47Å; D403-Y466 PolarHBondContact OD1-N 3.11Å
404	F	98.6	Very high	94.1	Very high	26 Å²	26	33.5 Å²	33.5	11%	0.114	21%	0.207	C	C	.	.			trans	-60	113.6	-178.1	-171.6	-84.4	0	0	0	111.9	L354 A355 F362 I376 H393 T402 Y414 T416 W437	L354-F404 HydrophobicContact CB-CD1 3.68Å; L354-F404 HydrophobicContact CB-CD2 4.31Å; L354-F404 HydrophobicContact CB-CE1 3.76Å; L354-F404 HydrophobicContact CB-CE2 4.38Å; L354-F404 HydrophobicContact CB-CG 3.97Å; L354-F404 HydrophobicContact CB-CZ 4.12Å; L354-F404 HydrophobicContact CD1-CD2 3.68Å; L354-F404 HydrophobicContact CD1-CE2 3.94Å; L354-F404 HydrophobicContact CD1-CG 4Å; L354-F404 HydrophobicContact CD1-CZ 4.47Å; L354-F404 HydrophobicContact CD2-CB 4.32Å; L354-F404 HydrophobicContact CD2-CG 4.4Å; L354-F404 HydrophobicContact CG-CD2 4.49Å; L354-F404 HydrophobicContact CG-CG 4.35Å; A355-F404 HydrophobicContact CB-CE1 3.96Å; F362-F404 HydrophobicContact CB-CZ 4.16Å; F362-F404 HydrophobicContact CD1-CE2 4.08Å; F362-F404 AromaticContact CD1-CZ 3.89Å; F362-F404 HydrophobicContact CD1-CZ 3.89Å; F362-F404 HydrophobicContact CD2-CZ 4.08Å; F362-F404 HydrophobicContact CE1-CE2 4.37Å; F362-F404 HydrophobicContact CE1-CZ 4.21Å; F362-F404 HydrophobicContact CE2-CZ 4.39Å; F362-F404 HydrophobicContact CG-CE2 4.4Å; F362-F404 AromaticContact CG-CZ 3.8Å; F362-F404 HydrophobicContact CG-CZ 3.8Å; F362-F404 HydrophobicContact CZ-CZ 4.44Å; I376-F404 HydrophobicContact CD1-CD2 3.83Å; I376-F404 HydrophobicContact CD1-CE2 3.87Å; H393-F404 AromaticContact NE2-CD2 3.96Å; T402-F404 VanDerWaalsContact C-N 3.34Å; T402-F404 HydrophobicContact CG2-CB 4.31Å; F404-Y414 AromaticContact CE1-CD1 3.82Å; F404-Y414 HydrophobicContact CE1-CD1 3.82Å; F404-Y414 HydrophobicContact CE1-CE1 4.39Å; F404-Y414 AromaticContact CZ-CD1 3.62Å; F404-Y414 HydrophobicContact CZ-CD1 3.62Å; F404-Y414 HydrophobicContact CZ-CE1 4.33Å; F404-Y414 HydrophobicContact CZ-CG 4.16Å; F404-T416 WeakPolarHBondContact CA-OG1 3.38Å; F404-T416 HydrophobicContact CD2-CG2 4.4Å; F404-T416 PolarHBondContact N-OG1 2.79Å; F404-W437 HydrophobicContact CE2-CH2 4.07Å; F404-W437 HydrophobicContact CE2-CZ2 4.49Å
405	T	98.4	Very high	94.1	Very high	28 Å²	28	33.4 Å²	33.4	17%	0.172	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.8	-169.7	-58.9	0	0	0	0	110	D403 Y414 I415 P478	D403-T405 PolarHBondContact O-N 2.88Å; D403-T405 VanDerWaalsContact O-N 3.08Å; D403-T405 PolarHBondContact O-OG1 2.68Å; T405-Y414 WeakPolarHBondContact O-CA 3.16Å; T405-I415 PolarHBondContact N-O 3.44Å; T405-I415 PolarHBondContact O-N 3.29Å; T405-P478 HydrophobicContact CG2-CB 4.28Å
406	N	97.9	Very high	94.1	Very high	69 Å²	69	32 Å²	32	37%	0.369	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.1	168	-179.4	8.8	0	0	0	109.4	T408 Y414	N406-T408 PolarHBondContact O-N 3.1Å; N406-T408 VanDerWaalsContact O-N 3.11Å; N406-Y414 HydrophobicContact CB-CD1 3.93Å; N406-Y414 HydrophobicContact CB-CE1 3.78Å
407	V	98.3	Very high	94.4	Very high	1 Å²	1	31 Å²	31	1%	0.006	20%	0.195	C	C	.	.			trans	-86.9	81.6	179.1	-179.9	0	0	0	0	108.4	S409 L410 V413 I415 V488	V407-S409 PolarHBondContact O-N 2.94Å; V407-L410 PolarHBondContact O-N 3.18Å; V407-V413 HydrophobicContact CB-CB 3.9Å; V407-V413 HydrophobicContact CB-CG1 3.72Å; V407-V413 HydrophobicContact CG1-CB 4.38Å; V407-V413 HydrophobicContact CG1-CG1 4.13Å; V407-V413 HydrophobicContact CG2-CB 4.49Å; V407-V413 HydrophobicContact CG2-CG1 3.83Å; V407-V413 PolarHBondContact N-O 3.49Å; V407-I415 HydrophobicContact CG2-CD1 3.61Å; V407-I415 HydrophobicContact CG2-CG1 3.77Å; V407-V488 HydrophobicContact CG1-CB 4.47Å; V407-V488 HydrophobicContact CG1-CG1 4.19Å; V407-V488 HydrophobicContact CG1-CG2 3.43Å; V407-V488 VanDerWaalsContact CG1-CG2 3.43Å
408	T	97.7	Very high	95.1	Very high	58 Å²	58	28.7 Å²	28.7	36%	0.356	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.1	-167.4	69.3	0	0	0	0	114.7	N406 L410 S480 E481 P482	N406-T408 PolarHBondContact O-N 3.1Å; N406-T408 VanDerWaalsContact O-N 3.11Å; T408-L410 VanDerWaalsContact C-N 3.33Å; T408-S480 PolarHBondContact N-OG 2.64Å; T408-S480 VanDerWaalsContact OG1-C 3.31Å; T408-S480 PolarHBondContact OG1-O 3.09Å; T408-S480 VanDerWaalsContact OG1-O 3.1Å; T408-S480 PolarHBondContact OG1-OG 3.06Å; T408-E481 PolarHBondContact OG1-N 3.22Å; T408-P482 WeakPolarHBondContact O-CA 3.35Å
409	S	98.1	Very high	96.1	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.042	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.9	177.7	57.6	0	0	0	0	114.5	V407 E481 A484 G486 I487	V407-S409 PolarHBondContact O-N 2.94Å; S409-E481 WeakPolarHBondContact CB-O 3.35Å; S409-A484 VanDerWaalsContact CB-O 3.29Å; S409-A484 WeakPolarHBondContact CB-O 3.43Å; S409-G486 PolarHBondContact O-N 2.9Å; S409-I487 VanDerWaalsContact CB-O 3.27Å; S409-I487 WeakPolarHBondContact CB-O 3.46Å; S409-I487 PolarHBondContact OG-O 2.96Å
410	L	97.8	Very high	97.1	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	12%	0.122	C	C	.	.	S	Bend	trans	-144.9	137.4	171.8	-161.8	64.3	0	0	0	113.1	V407 T408 V413 D510 Y513 W620 A622	V407-L410 PolarHBondContact O-N 3.18Å; T408-L410 VanDerWaalsContact C-N 3.33Å; L410-V413 HydrophobicContact CB-CG2 3.93Å; L410-V413 HydrophobicContact CD2-CG2 4.03Å; L410-V413 HydrophobicContact CG-CG2 4.08Å; L410-D510 WeakPolarHBondContact CD2-O 3.48Å; L410-Y513 HydrophobicContact CD2-CE2 4.34Å; L410-W620 HydrophobicContact CD1-CH2 3.86Å; L410-W620 HydrophobicContact CD1-CZ3 4Å; L410-W620 HydrophobicContact CD2-CH2 4.35Å; L410-A622 HydrophobicContact CD1-CB 3.93Å
411	R	95.1	Very high	97.3	Very high	48 Å²	48	26.8 Å²	26.8	18%	0.181	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	137.3	-173.1	179.5	176.8	58.8	93	1.2	112	V413 H623 I635 Y638 E640	R411-V413 PolarHBondContact O-N 2.8Å; R411-H623 PolarHBondContact O-CE1 2.92Å; R411-H623 PolarHBondContact O-NE2 2.79Å; R411-I635 PolarHBondContact NH1-O 3.42Å; R411-I635 PolarHBondContact NH2-O 2.93Å; R411-Y638 WeakPolarHBondContact CD-OH 3.16Å; R411-Y638 PolarHBondContact NE-OH 3Å; R411-Y638 PolarHBondContact NH2-O 2.78Å; R411-Y638 VanDerWaalsContact NH2-O 3.09Å; R411-E640 IonicContact CZ-OE2 2.72Å; R411-E640 IonicContact NE-OE2 3.3Å; R411-E640 PolarHBondContact NE-OE2 2.68Å; R411-E640 IonicContact NH2-OE2 2.74Å
412	G	92.8	Very high	97.2	Very high	5 Å²	5	28.3 Å²	28.3	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	2.8	173.1	0	0	0	0	0	114.8	Y414 F431 D432 Q433	G412-Y414 WeakPolarHBondContact O-CD2 3.5Å; G412-F431 CarbonylContact O-C 3.56Å; G412-F431 VanDerWaalsContact O-C 3.26Å; G412-D432 PolarHBondContact O-N 3.36Å; G412-Q433 WeakPolarHBondContact O-CA 3.49Å; G412-Q433 PolarHBondContact O-N 2.83Å
413	V	98.1	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.			trans	-93.7	126.5	-177.2	-173.9	0	0	0	0	111.6	V407 L410 R411 I429 T430 F431 G511	V407-V413 HydrophobicContact CB-CB 3.9Å; V407-V413 HydrophobicContact CB-CG1 3.72Å; V407-V413 HydrophobicContact CG1-CB 4.38Å; V407-V413 HydrophobicContact CG1-CG1 4.13Å; V407-V413 HydrophobicContact CG2-CB 4.49Å; V407-V413 HydrophobicContact CG2-CG1 3.83Å; V407-V413 PolarHBondContact N-O 3.49Å; L410-V413 HydrophobicContact CB-CG2 3.93Å; L410-V413 HydrophobicContact CD2-CG2 4.03Å; L410-V413 HydrophobicContact CG-CG2 4.08Å; R411-V413 PolarHBondContact O-N 2.8Å; V413-I429 HydrophobicContact CG1-CD1 3.9Å; V413-I429 HydrophobicContact CG1-CG1 4.08Å; V413-T430 VanDerWaalsContact CA-O 3.3Å; V413-T430 WeakPolarHBondContact CA-O 3.39Å; V413-F431 HydrophobicContact CG1-CD1 4.13Å; V413-F431 HydrophobicContact CG1-CE1 4.24Å; V413-F431 HydrophobicContact CG2-CD1 3.7Å; V413-F431 HydrophobicContact CG2-CE1 4.4Å; V413-F431 HydrophobicContact CG2-CG 4.46Å; V413-G511 WeakPolarHBondContact CG1-O 3.43Å
414	Y	98.4	Very high	97	Very high	16 Å²	16	34.2 Å²	34.2	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142	175.7	-57.4	-98.4	0	0	0	110.1	A355 F362 F404 T405 N406 G412 I429 T430 Q433 W437	A355-Y414 HydrophobicContact CB-CE1 4.29Å; F362-Y414 HydrophobicContact CD2-CE1 4.29Å; F362-Y414 HydrophobicContact CE2-CD1 4.1Å; F362-Y414 AromaticContact CE2-CD2 3.92Å; F362-Y414 HydrophobicContact CE2-CD2 3.92Å; F362-Y414 AromaticContact CE2-CE1 3.75Å; F362-Y414 HydrophobicContact CE2-CE1 3.75Å; F362-Y414 AromaticContact CE2-CE2 3.57Å; F362-Y414 HydrophobicContact CE2-CE2 3.57Å; F362-Y414 HydrophobicContact CE2-CG 4.19Å; F362-Y414 AromaticContact CE2-CZ 3.49Å; F362-Y414 VanDerWaalsContact CE2-CZ 3.49Å; F362-Y414 HydrophobicContact CZ-CD1 4.35Å; F362-Y414 AromaticContact CZ-CD2 3.69Å; F362-Y414 HydrophobicContact CZ-CD2 3.69Å; F362-Y414 HydrophobicContact CZ-CE1 4.4Å; F362-Y414 AromaticContact CZ-CE2 3.77Å; F362-Y414 HydrophobicContact CZ-CE2 3.77Å; F362-Y414 HydrophobicContact CZ-CG 4.02Å; F404-Y414 AromaticContact CE1-CD1 3.82Å; F404-Y414 HydrophobicContact CE1-CD1 3.82Å; F404-Y414 HydrophobicContact CE1-CE1 4.39Å; F404-Y414 AromaticContact CZ-CD1 3.62Å; F404-Y414 HydrophobicContact CZ-CD1 3.62Å; F404-Y414 HydrophobicContact CZ-CE1 4.33Å; F404-Y414 HydrophobicContact CZ-CG 4.16Å; T405-Y414 WeakPolarHBondContact O-CA 3.16Å; N406-Y414 HydrophobicContact CB-CD1 3.93Å; N406-Y414 HydrophobicContact CB-CE1 3.78Å; G412-Y414 WeakPolarHBondContact O-CD2 3.5Å; Y414-I429 WeakPolarHBondContact O-CA 3.29Å; Y414-T430 HydrophobicContact CD2-CG2 4.13Å; Y414-T430 HydrophobicContact CG-CG2 4.39Å; Y414-T430 PolarHBondContact N-O 3.4Å; Y414-T430 VanDerWaalsContact N-O 3.1Å; Y414-T430 PolarHBondContact O-N 3.12Å; Y414-Q433 HydrophobicContact CE2-CG 4.15Å; Y414-W437 WeakPolarHBondContact O-CZ3 3.1Å
415	I	98.7	Very high	97	Very high	5 Å²	5	34 Å²	34	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.9	177.1	-63.4	171.2	0	0	0	108.2	T405 V407 T427 M428 I429 L440 W515	T405-I415 PolarHBondContact N-O 3.44Å; T405-I415 PolarHBondContact O-N 3.29Å; V407-I415 HydrophobicContact CG2-CD1 3.61Å; V407-I415 HydrophobicContact CG2-CG1 3.77Å; I415-T427 HydrophobicContact CG2-CG2 3.52Å; I415-M428 CarbonylContact C-O 3.47Å; I415-M428 WeakPolarHBondContact CA-O 3.14Å; I415-I429 HydrophobicContact CD1-CD1 4Å; I415-I429 HydrophobicContact CG1-CB 4.13Å; I415-I429 HydrophobicContact CG1-CD1 3.7Å; I415-I429 HydrophobicContact CG1-CG1 3.81Å; I415-L440 HydrophobicContact CD1-CD2 4.34Å; I415-W515 HydrophobicContact CD1-CZ2 4.29Å
416	T	98.8	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	175	169.2	-164.3	0	0	0	0	111.9	I376 L390 H393 F404 T427 M428 W437	I376-T416 HydrophobicContact CD1-CG2 4.31Å; L390-T416 HydrophobicContact CD2-CG2 3.43Å; L390-T416 VanDerWaalsContact CD2-CG2 3.43Å; H393-T416 PolarHBondContact CD2-OG1 3.33Å; H393-T416 VanDerWaalsContact CD2-OG1 3.23Å; H393-T416 PolarHBondContact NE2-OG1 2.94Å; F404-T416 WeakPolarHBondContact CA-OG1 3.38Å; F404-T416 HydrophobicContact CD2-CG2 4.4Å; F404-T416 PolarHBondContact N-OG1 2.79Å; T416-T427 WeakPolarHBondContact O-CA 3.11Å; T416-T427 WeakPolarHBondContact O-CG2 3.28Å; T416-M428 PolarHBondContact N-O 2.64Å; T416-M428 PolarHBondContact O-N 3.09Å; T416-W437 HydrophobicContact CG2-CE3 4.47Å; T416-W437 HydrophobicContact CG2-CH2 3.88Å; T416-W437 HydrophobicContact CG2-CZ3 3.74Å
417	S	98.6	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142	175.2	-68.7	0	0	0	0	111.8	L394 D403 Q426	L394-S417 WeakPolarHBondContact CB-O 3.33Å; L394-S417 PolarHBondContact N-O 3.47Å; D403-S417 WeakPolarHBondContact CB-OG 3.42Å; D403-S417 VanDerWaalsContact OD2-CB 3.26Å; D403-S417 WeakPolarHBondContact OD2-CB 3.39Å; D403-S417 PolarHBondContact OD2-OG 3.48Å; S417-Q426 CarbonylContact C-O 3.32Å; S417-Q426 WeakPolarHBondContact CA-O 3.39Å
418	V	98.2	Very high	97	Very high	14 Å²	14	32.9 Å²	32.9	9%	0.085	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.3	168.9	-60	0	0	0	0	110.5	L390 R392 I425 Q426 M428	L390-V418 HydrophobicContact CD1-CG1 3.93Å; L390-V418 HydrophobicContact CD2-CG1 3.61Å; L390-V418 HydrophobicContact CG-CG1 3.77Å; R392-V418 CarbonylContact O-C 3.52Å; R392-V418 VanDerWaalsContact O-CA 3.27Å; R392-V418 WeakPolarHBondContact O-CA 3Å; V418-I425 WeakPolarHBondContact O-CA 3.35Å; V418-Q426 HydrophobicContact CG2-CB 4.05Å; V418-Q426 PolarHBondContact N-O 2.03Å; V418-Q426 PolarHBondContact O-N 3.28Å; V418-M428 HydrophobicContact CG1-CG 3.95Å; V418-M428 HydrophobicContact CG2-CG 3.8Å
419	L	97.8	Very high	97.1	Very high	24 Å²	24	30.2 Å²	30.2	13%	0.126	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.5	171.1	-170.9	71.8	0	0	0	109.5	F373 R392 I425	F373-L419 HydrophobicContact CD1-CB 4.43Å; F373-L419 HydrophobicContact CD1-CD2 3.68Å; F373-L419 HydrophobicContact CE1-CD2 4.1Å; R392-L419 WeakPolarHBondContact CB-O 3.48Å; R392-L419 PolarHBondContact NE-O 2.84Å; R392-L419 PolarHBondContact O-N 2.84Å; L419-I425 HydrophobicContact CD1-CG1 4Å
420	S	95.3	Very high	97	Very high	16 Å²	16	29.9 Å²	29.9	11%	0.112	15%	0.153	C	C	.	.			trans	-71.3	174.4	175.3	77.3	0	0	0	0	112.2	R392 D422 N423 S424	R392-S420 PolarHBondContact NH2-O 3.25Å; S420-D422 VanDerWaalsContact C-N 3.28Å; S420-D422 WeakPolarHBondContact CB-OD1 3.02Å; S420-D422 PolarHBondContact OG-N 3.45Å; S420-D422 PolarHBondContact OG-OD1 3Å; S420-N423 PolarHBondContact O-N 3.25Å; S420-N423 PolarHBondContact OG-N 3.16Å; S420-S424 WeakPolarHBondContact CB-O 3.41Å; S420-S424 PolarHBondContact N-O 2.84Å; S420-S424 PolarHBondContact OG-N 3.24Å; S420-S424 PolarHBondContact OG-O 2.64Å; S420-S424 PolarHBondContact OG-OG 3.3Å; S420-S424 VanDerWaalsContact OG-OG 3.09Å
421	E	93.9	Very high	96.8	Very high	149 Å²	149	30 Å²	30	70%	0.696	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.1	167.3	-58.8	-59.3	158.8	0	0	113.6	R392 N423	R392-E421 WeakPolarHBondContact CD-OE1 3.48Å; R392-E421 VanDerWaalsContact CZ-CD 3.46Å; R392-E421 IonicContact CZ-OE1 3.21Å; R392-E421 VanDerWaalsContact CZ-OE1 3.3Å; R392-E421 IonicContact CZ-OE2 3.59Å; R392-E421 IonicContact NE-OE1 2.74Å; R392-E421 IonicContact NH1-OE1 2.75Å; R392-E421 PolarHBondContact NH1-OE1 2.68Å; R392-E421 IonicContact NH1-OE2 3.77Å; R392-E421 PolarHBondContact NH1-OE2 3.24Å; R392-E421 IonicContact NH2-OE2 2.69Å; E421-N423 VanDerWaalsContact C-N 3.29Å
422	D	93.4	Very high	96.6	Very high	95 Å²	95	30 Å²	30	51%	0.508	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	16.3	170.5	66	10.6	0	0	0	113	S420 S424 K453	S420-D422 VanDerWaalsContact C-N 3.28Å; S420-D422 WeakPolarHBondContact CB-OD1 3.02Å; S420-D422 PolarHBondContact OG-N 3.45Å; S420-D422 PolarHBondContact OG-OD1 3Å; D422-S424 PolarHBondContact O-N 2.9Å; D422-S424 VanDerWaalsContact O-N 3.09Å; D422-S424 WeakPolarHBondContact OD1-CB 3.35Å; D422-S424 PolarHBondContact OD1-OG 3.3Å; D422-K453 IonicContact OD2-NZ 2.77Å; D422-K453 PolarHBondContact OD2-NZ 3.43Å; D422-K453 VanDerWaalsContact OD2-NZ 3.09Å
423	N	94.8	Very high	96.5	Very high	120 Å²	120	30.3 Å²	30.3	64%	0.642	16%	0.157	S	C	*	.	S	Bend	trans	54.1	18.7	-176.7	-68	-13.7	0	0	0	114.6	S420 E421	S420-N423 PolarHBondContact O-N 3.25Å; S420-N423 PolarHBondContact OG-N 3.16Å; E421-N423 VanDerWaalsContact C-N 3.29Å
424	S	96.4	Very high	96.1	Very high	30 Å²	30	30.4 Å²	30.4	21%	0.21	16%	0.158	C	C	.	.			trans	-84.3	152.5	169.1	72.6	0	0	0	0	110.2	S420 D422	S420-S424 WeakPolarHBondContact CB-O 3.41Å; S420-S424 PolarHBondContact N-O 2.84Å; S420-S424 PolarHBondContact OG-N 3.24Å; S420-S424 PolarHBondContact OG-O 2.64Å; S420-S424 PolarHBondContact OG-OG 3.3Å; S420-S424 VanDerWaalsContact OG-OG 3.09Å; D422-S424 PolarHBondContact O-N 2.9Å; D422-S424 VanDerWaalsContact O-N 3.09Å; D422-S424 WeakPolarHBondContact OD1-CB 3.35Å; D422-S424 PolarHBondContact OD1-OG 3.3Å
425	I	98.3	Very high	95.4	Very high	22 Å²	22	32.1 Å²	32.1	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123	-176.3	-56.6	172.7	0	0	0	108.7	L394 V418 L419 Y466 A497 I498	L394-I425 HydrophobicContact CD2-CD1 3.98Å; L394-I425 HydrophobicContact CD2-CG2 3.91Å; V418-I425 WeakPolarHBondContact O-CA 3.35Å; L419-I425 HydrophobicContact CD1-CG1 4Å; I425-Y466 HydrophobicContact CD1-CD1 3.86Å; I425-Y466 HydrophobicContact CD1-CE1 3.28Å; I425-A497 CarbonylContact O-C 3.48Å; I425-A497 WeakPolarHBondContact O-CA 3.49Å; I425-I498 HydrophobicContact CB-CB 4.47Å; I425-I498 HydrophobicContact CB-CD1 4.15Å; I425-I498 HydrophobicContact CB-CG1 4.44Å; I425-I498 HydrophobicContact CG2-CD1 3.59Å; I425-I498 HydrophobicContact CG2-CG1 4.3Å; I425-I498 PolarHBondContact O-N 3.03Å
426	Q	98.4	Very high	94.7	Very high	48 Å²	48	41 Å²	41	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.9	-175.1	-57.6	-167.6	-53.2	0	0	110.8	S417 V418 D496	S417-Q426 CarbonylContact C-O 3.32Å; S417-Q426 WeakPolarHBondContact CA-O 3.39Å; V418-Q426 HydrophobicContact CG2-CB 4.05Å; V418-Q426 PolarHBondContact N-O 2.03Å; V418-Q426 PolarHBondContact O-N 3.28Å; Q426-D496 PolarHBondContact NE2-O 2.93Å
427	T	98.8	Very high	94.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.8	178.6	-47.5	0	0	0	0	110.1	I415 T416 H439 L440 H461 I462	I415-T427 HydrophobicContact CG2-CG2 3.52Å; T416-T427 WeakPolarHBondContact O-CA 3.11Å; T416-T427 WeakPolarHBondContact O-CG2 3.28Å; T427-H439 PolarHBondContact O-ND1 2.91Å; T427-L440 HydrophobicContact CG2-CD1 3.62Å; T427-H461 PolarHBondContact N-ND1 3.25Å; T427-H461 WeakPolarHBondContact OG1-CA 3.26Å; T427-I462 HydrophobicContact CG2-CB 3.89Å; T427-I462 HydrophobicContact CG2-CG1 3.95Å; T427-I462 PolarHBondContact OG1-N 2.89Å
428	M	98.4	Very high	94.3	Very high	26 Å²	26	46.8 Å²	46.8	13%	0.128	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.2	-179.5	-59.3	-59.9	-75.8	0	0	109.8	I415 T416 V418 W437 K438 H439	I415-M428 CarbonylContact C-O 3.47Å; I415-M428 WeakPolarHBondContact CA-O 3.14Å; T416-M428 PolarHBondContact N-O 2.64Å; T416-M428 PolarHBondContact O-N 3.09Å; V418-M428 HydrophobicContact CG1-CG 3.95Å; V418-M428 HydrophobicContact CG2-CG 3.8Å; M428-W437 HydrophobicContact CB-CB 4.39Å; M428-W437 HydrophobicContact CB-CE3 3.84Å; M428-W437 HydrophobicContact CE-CB 4.01Å; M428-K438 CarbonylContact C-O 3.56Å; M428-K438 WeakPolarHBondContact CA-O 3.33Å; M428-H439 PolarHBondContact SD-CE1 2.9Å; M428-H439 PolarHBondContact SD-ND1 2.87Å
429	I	98.6	Very high	94.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.2	175.5	-173.3	163.9	0	0	0	110.3	V413 Y414 I415 F431 W437 K438 L440	V413-I429 HydrophobicContact CG1-CD1 3.9Å; V413-I429 HydrophobicContact CG1-CG1 4.08Å; Y414-I429 WeakPolarHBondContact O-CA 3.29Å; I415-I429 HydrophobicContact CD1-CD1 4Å; I415-I429 HydrophobicContact CG1-CB 4.13Å; I415-I429 HydrophobicContact CG1-CD1 3.7Å; I415-I429 HydrophobicContact CG1-CG1 3.81Å; I429-F431 HydrophobicContact CB-CE2 4.21Å; I429-F431 HydrophobicContact CD1-CE1 3.84Å; I429-F431 HydrophobicContact CD1-CE2 3.86Å; I429-F431 HydrophobicContact CD1-CZ 3.37Å; I429-F431 HydrophobicContact CG1-CD2 4.23Å; I429-F431 HydrophobicContact CG1-CE1 4.29Å; I429-F431 HydrophobicContact CG1-CE2 3.63Å; I429-F431 HydrophobicContact CG1-CZ 3.71Å; I429-F431 HydrophobicContact CG2-CE2 3.64Å; I429-F431 HydrophobicContact CG2-CZ 4.11Å; I429-W437 WeakPolarHBondContact O-CA 3.19Å; I429-K438 HydrophobicContact CG2-CG 4.19Å; I429-K438 WeakPolarHBondContact CG2-O 3.47Å; I429-K438 PolarHBondContact N-O 3.25Å; I429-K438 PolarHBondContact O-N 3.45Å; I429-L440 HydrophobicContact CB-CD1 3.78Å; I429-L440 HydrophobicContact CB-CG 4Å; I429-L440 HydrophobicContact CD1-CG 4.42Å; I429-L440 HydrophobicContact CG2-CB 4.48Å; I429-L440 HydrophobicContact CG2-CD1 3.76Å; I429-L440 HydrophobicContact CG2-CG 3.75Å
430	T	96.2	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.7	166.2	170.3	0	0	0	0	108.7	V413 Y414 D432 G434 R436 W437	V413-T430 VanDerWaalsContact CA-O 3.3Å; V413-T430 WeakPolarHBondContact CA-O 3.39Å; Y414-T430 HydrophobicContact CD2-CG2 4.13Å; Y414-T430 HydrophobicContact CG-CG2 4.39Å; Y414-T430 PolarHBondContact N-O 3.4Å; Y414-T430 VanDerWaalsContact N-O 3.1Å; Y414-T430 PolarHBondContact O-N 3.12Å; T430-D432 PolarHBondContact OG1-N 3.28Å; T430-D432 PolarHBondContact OG1-OD1 2.91Å; T430-G434 WeakPolarHBondContact OG1-CA 3.39Å; T430-G434 PolarHBondContact OG1-N 3.11Å; T430-R436 WeakPolarHBondContact CA-O 3.14Å; T430-R436 VanDerWaalsContact CB-O 3.25Å; T430-R436 WeakPolarHBondContact CB-O 3.42Å; T430-R436 PolarHBondContact OG1-O 3.1Å; T430-W437 HydrophobicContact CG2-CD2 3.93Å; T430-W437 HydrophobicContact CG2-CE3 3.83Å; T430-W437 HydrophobicContact CG2-CH2 3.55Å; T430-W437 HydrophobicContact CG2-CZ2 3.62Å; T430-W437 HydrophobicContact CG2-CZ3 3.65Å
431	F	94.9	Very high	94.5	Very high	10 Å²	10	54.7 Å²	54.7	4%	0.044	27%	0.265	C	S	.	.	S	Bend	trans	-122	-2.8	176.2	-62.4	-94	0	0	0	112.3	G412 V413 I429 K438 G511 Y513 I635	G412-F431 CarbonylContact O-C 3.56Å; G412-F431 VanDerWaalsContact O-C 3.26Å; V413-F431 HydrophobicContact CG1-CD1 4.13Å; V413-F431 HydrophobicContact CG1-CE1 4.24Å; V413-F431 HydrophobicContact CG2-CD1 3.7Å; V413-F431 HydrophobicContact CG2-CE1 4.4Å; V413-F431 HydrophobicContact CG2-CG 4.46Å; I429-F431 HydrophobicContact CB-CE2 4.21Å; I429-F431 HydrophobicContact CD1-CE1 3.84Å; I429-F431 HydrophobicContact CD1-CE2 3.86Å; I429-F431 HydrophobicContact CD1-CZ 3.37Å; I429-F431 HydrophobicContact CG1-CD2 4.23Å; I429-F431 HydrophobicContact CG1-CE1 4.29Å; I429-F431 HydrophobicContact CG1-CE2 3.63Å; I429-F431 HydrophobicContact CG1-CZ 3.71Å; I429-F431 HydrophobicContact CG2-CE2 3.64Å; I429-F431 HydrophobicContact CG2-CZ 4.11Å; F431-K438 VanDerWaalsContact CD2-CE 3.48Å; F431-K438 HydrophobicContact CE2-CD 4.48Å; F431-G511 WeakPolarHBondContact CE1-O 3.19Å; F431-Y513 AromaticContact CD1-CD2 3.66Å; F431-Y513 HydrophobicContact CD1-CD2 3.66Å; F431-Y513 HydrophobicContact CD1-CE1 4.12Å; F431-Y513 AromaticContact CD1-CE2 3.11Å; F431-Y513 HydrophobicContact CD1-CE2 3.11Å; F431-Y513 HydrophobicContact CD1-CG 4.33Å; F431-Y513 AromaticContact CD1-CZ 3.37Å; F431-Y513 HydrophobicContact CE1-CD1 4.21Å; F431-Y513 AromaticContact CE1-CD2 3.26Å; F431-Y513 HydrophobicContact CE1-CD2 3.26Å; F431-Y513 HydrophobicContact CE1-CE1 4.24Å; F431-Y513 AromaticContact CE1-CE2 3.29Å; F431-Y513 HydrophobicContact CE1-CE2 3.29Å; F431-Y513 AromaticContact CE1-CG 3.74Å; F431-Y513 HydrophobicContact CE1-CG 3.74Å; F431-Y513 AromaticContact CE1-CZ 3.79Å; F431-Y513 HydrophobicContact CG-CE1 4.3Å; F431-Y513 AromaticContact CG-CE2 3.99Å; F431-Y513 HydrophobicContact CG-CE2 3.99Å; F431-Y513 AromaticContact CG-CZ 3.75Å; F431-Y513 HydrophobicContact CZ-CD1 4.33Å; F431-Y513 HydrophobicContact CZ-CD2 4.05Å; F431-Y513 HydrophobicContact CZ-CE2 4.28Å; F431-Y513 HydrophobicContact CZ-CG 4.06Å; F431-I635 WeakPolarHBondContact O-CG2 3.45Å
432	D	89.9	Confident	94.6	Very high	46 Å²	46	49.6 Å²	49.6	25%	0.246	24%	0.241	C	C	.	.	S	Bend	trans	-125.4	36.3	-171.1	62.3	-22.4	0	0	0	110.3	G412 T430 G434 G435 R436	G412-D432 PolarHBondContact O-N 3.36Å; T430-D432 PolarHBondContact OG1-N 3.28Å; T430-D432 PolarHBondContact OG1-OD1 2.91Å; D432-G434 VanDerWaalsContact C-N 3.28Å; D432-G434 PolarHBondContact O-N 2.9Å; D432-G435 PolarHBondContact O-N 2.79Å; D432-G435 VanDerWaalsContact O-N 3.12Å; D432-G435 PolarHBondContact OD1-N 2.94Å; D432-G435 VanDerWaalsContact OD2-C 3.29Å; D432-G435 WeakPolarHBondContact OD2-CA 3.45Å; D432-R436 VanDerWaalsContact CG-N 3.25Å; D432-R436 PolarHBondContact OD1-N 3.24Å; D432-R436 VanDerWaalsContact OD1-O 3.08Å; D432-R436 WeakPolarHBondContact OD2-CB 3.15Å; D432-R436 PolarHBondContact OD2-N 3.4Å
433	Q	91.2	Very high	94.8	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.061	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	37.2	173.7	-159.6	174.7	-92.2	0	0	113.5	M360 F362 G412 Y414 L636 P719	M360-Q433 HydrophobicContact CE-CG 3.94Å; M360-Q433 HydrophobicContact SD-CG 3.87Å; M360-Q433 PolarHBondContact SD-NE2 3.12Å; F362-Q433 HydrophobicContact CE2-CG 4.22Å; F362-Q433 HydrophobicContact CZ-CG 4.34Å; F362-Q433 WeakPolarHBondContact CZ-O 3.41Å; G412-Q433 WeakPolarHBondContact O-CA 3.49Å; G412-Q433 PolarHBondContact O-N 2.83Å; Y414-Q433 HydrophobicContact CE2-CG 4.15Å; Q433-L636 HydrophobicContact CB-CD1 4.09Å; Q433-L636 HydrophobicContact CB-CD2 4.49Å; Q433-P719 PolarHBondContact NE2-O 3.12Å
434	G	89	Confident	94.7	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	9.1	179.4	0	0	0	0	0	114.8	S389 T430 D432	S389-G434 WeakPolarHBondContact OG-CA 3.35Å; S389-G434 PolarHBondContact OG-O 2.95Å; T430-G434 WeakPolarHBondContact OG1-CA 3.39Å; T430-G434 PolarHBondContact OG1-N 3.11Å; D432-G434 VanDerWaalsContact C-N 3.28Å; D432-G434 PolarHBondContact O-N 2.9Å
435	G	83.8	Confident	94.4	Very high	51 Å²	51	52 Å²	52	53%	0.526	25%	0.248	S	C	.	.	S	Bend	trans	-64.9	-43	171.8	0	0	0	0	0	112.6	D432	D432-G435 PolarHBondContact O-N 2.79Å; D432-G435 VanDerWaalsContact O-N 3.12Å; D432-G435 PolarHBondContact OD1-N 2.94Å; D432-G435 VanDerWaalsContact OD2-C 3.29Å; D432-G435 WeakPolarHBondContact OD2-CA 3.45Å
436	R	84.5	Confident	94.2	Very high	191 Å²	191	51.7 Å²	51.7	72%	0.721	25%	0.248	S	C	*	.			trans	-144.3	131	179	-174.4	176.5	-178.7	174.8	2.2	111.9	T430 D432	T430-R436 WeakPolarHBondContact CA-O 3.14Å; T430-R436 VanDerWaalsContact CB-O 3.25Å; T430-R436 WeakPolarHBondContact CB-O 3.42Å; T430-R436 PolarHBondContact OG1-O 3.1Å; D432-R436 VanDerWaalsContact CG-N 3.25Å; D432-R436 PolarHBondContact OD1-N 3.24Å; D432-R436 VanDerWaalsContact OD1-O 3.08Å; D432-R436 WeakPolarHBondContact OD2-CB 3.15Å; D432-R436 PolarHBondContact OD2-N 3.4Å
437	W	93.1	Very high	93.9	Very high	27 Å²	27	57.8 Å²	57.8	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	146.4	173.4	-61.7	85.6	0	0	0	111.1	F362 I376 S389 L390 F404 Y414 T416 M428 I429 T430	F362-W437 HydrophobicContact CE1-CZ2 4.33Å; I376-W437 HydrophobicContact CD1-CH2 4.47Å; I376-W437 HydrophobicContact CD1-CZ2 4.15Å; S389-W437 PolarHBondContact O-NE1 2.89Å; S389-W437 PolarHBondContact OG-NE1 3.12Å; L390-W437 HydrophobicContact CD1-CB 4.02Å; L390-W437 HydrophobicContact CD1-CD2 4.22Å; L390-W437 HydrophobicContact CD1-CG 3.81Å; L390-W437 HydrophobicContact CD2-CD2 3.93Å; L390-W437 HydrophobicContact CD2-CE3 4.12Å; L390-W437 HydrophobicContact CD2-CG 4.4Å; L390-W437 HydrophobicContact CD2-CH2 4.37Å; L390-W437 HydrophobicContact CD2-CZ2 4.19Å; L390-W437 HydrophobicContact CD2-CZ3 4.34Å; L390-W437 HydrophobicContact CG-CD2 4.48Å; L390-W437 HydrophobicContact CG-CG 4.48Å; F404-W437 HydrophobicContact CE2-CH2 4.07Å; F404-W437 HydrophobicContact CE2-CZ2 4.49Å; Y414-W437 WeakPolarHBondContact O-CZ3 3.1Å; T416-W437 HydrophobicContact CG2-CE3 4.47Å; T416-W437 HydrophobicContact CG2-CH2 3.88Å; T416-W437 HydrophobicContact CG2-CZ3 3.74Å; M428-W437 HydrophobicContact CB-CB 4.39Å; M428-W437 HydrophobicContact CB-CE3 3.84Å; M428-W437 HydrophobicContact CE-CB 4.01Å; I429-W437 WeakPolarHBondContact O-CA 3.19Å; T430-W437 HydrophobicContact CG2-CD2 3.93Å; T430-W437 HydrophobicContact CG2-CE3 3.83Å; T430-W437 HydrophobicContact CG2-CH2 3.55Å; T430-W437 HydrophobicContact CG2-CZ2 3.62Å; T430-W437 HydrophobicContact CG2-CZ3 3.65Å
438	K	95.8	Very high	93.8	Very high	96 Å²	96	58.6 Å²	58.6	42%	0.417	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.9	174	61.2	-175.9	179.1	-172.8	0	110.2	M428 I429 F431	M428-K438 CarbonylContact C-O 3.56Å; M428-K438 WeakPolarHBondContact CA-O 3.33Å; I429-K438 HydrophobicContact CG2-CG 4.19Å; I429-K438 WeakPolarHBondContact CG2-O 3.47Å; I429-K438 PolarHBondContact N-O 3.25Å; I429-K438 PolarHBondContact O-N 3.45Å; F431-K438 VanDerWaalsContact CD2-CE 3.48Å; F431-K438 HydrophobicContact CE2-CD 4.48Å
439	H	98.2	Very high	93.6	Very high	78 Å²	78	59.6 Å²	59.6	36%	0.361	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	155.4	170.7	-59.7	-60.7	0	0	0	111.8	T427 M428 S459	T427-H439 PolarHBondContact O-ND1 2.91Å; M428-H439 PolarHBondContact SD-CE1 2.9Å; M428-H439 PolarHBondContact SD-ND1 2.87Å; H439-S459 VanDerWaalsContact CB-OG 3.27Å; H439-S459 WeakPolarHBondContact CB-OG 3.42Å
440	L	98.4	Very high	93.4	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.3	174.8	-65.9	71.6	0	0	0	109.6	I415 T427 I429 K442 S459 L460 I462 W515	I415-L440 HydrophobicContact CD1-CD2 4.34Å; T427-L440 HydrophobicContact CG2-CD1 3.62Å; I429-L440 HydrophobicContact CB-CD1 3.78Å; I429-L440 HydrophobicContact CB-CG 4Å; I429-L440 HydrophobicContact CD1-CG 4.42Å; I429-L440 HydrophobicContact CG2-CB 4.48Å; I429-L440 HydrophobicContact CG2-CD1 3.76Å; I429-L440 HydrophobicContact CG2-CG 3.75Å; L440-K442 PolarHBondContact O-N 3.38Å; L440-S459 WeakPolarHBondContact O-CB 3.2Å; L440-L460 HydrophobicContact CB-CB 4.01Å; L440-L460 HydrophobicContact CD2-CD2 4.4Å; L440-L460 PolarHBondContact O-N 3.08Å; L440-I462 HydrophobicContact CD2-CD1 4.05Å; L440-I462 HydrophobicContact CD2-CG1 3.64Å; L440-W515 HydrophobicContact CD2-CZ2 3.79Å
441	R	97.9	Very high	93.2	Very high	142 Å²	142	67 Å²	67	54%	0.536	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.7	178.6	176.8	176	172	179.3	-4.5	110.1	E444	R441-E444 IonicContact NH2-OE1 3.44Å; R441-E444 PolarHBondContact NH2-OE1 3Å
442	K	97.3	Very high	93.2	Very high	41 Å²	41	67.5 Å²	67.5	18%	0.178	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-58.5	148.4	173.1	76.3	170.9	-154.8	72.2	0	111.3	L440 E444 S446 C458 V494	L440-K442 PolarHBondContact O-N 3.38Å; K442-E444 PolarHBondContact NZ-O 2.89Å; K442-S446 PolarHBondContact NZ-O 3.33Å; K442-C458 WeakPolarHBondContact CD-SG 3.37Å; K442-V494 HydrophobicContact CB-CG1 3.86Å; K442-V494 HydrophobicContact CD-CG1 4.32Å
443	P	97.3	Very high	93.3	Very high	6 Å²	6	73.5 Å²	73.5	4%	0.039	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-55.8	144.9	168.2	-24.3	34	0	0	0	112	N445 S446 Y506 W515	P443-N445 VanDerWaalsContact C-N 3.28Å; P443-N445 PolarHBondContact O-N 2.96Å; P443-S446 PolarHBondContact O-N 3.28Å; P443-Y506 HydrophobicContact CG-CD1 3.77Å; P443-Y506 HydrophobicContact CG-CE1 3.81Å; P443-W515 VanDerWaalsContact CA-O 3.3Å; P443-W515 WeakPolarHBondContact CA-O 3.47Å; P443-W515 VanDerWaalsContact CB-O 3.25Å; P443-W515 WeakPolarHBondContact CB-O 3.49Å; P443-W515 HydrophobicContact CG-CB 4.11Å; P443-W515 WeakPolarHBondContact CG-O 3.45Å
444	E	91.6	Very high	93.3	Very high	125 Å²	125	75.6 Å²	75.6	58%	0.584	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-42.9	-176.5	-56.8	-160.3	134.1	0	0	111.3	R441 K442	R441-E444 IonicContact NH2-OE1 3.44Å; R441-E444 PolarHBondContact NH2-OE1 3Å; K442-E444 PolarHBondContact NZ-O 2.89Å
445	N	91.5	Very high	93.3	Very high	165 Å²	165	83.7 Å²	83.7	88%	0.882	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-1.4	-175.8	-61.1	-20.9	0	0	0	114.9	P443	P443-N445 VanDerWaalsContact C-N 3.28Å; P443-N445 PolarHBondContact O-N 2.96Å
446	S	92.6	Very high	93.6	Very high	16 Å²	16	87.3 Å²	87.3	11%	0.112	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-86	132	177.8	-70.2	0	0	0	0	111.7	K442 P443	K442-S446 PolarHBondContact NZ-O 3.33Å; P443-S446 PolarHBondContact O-N 3.28Å
447	E	93.4	Very high	94.1	Very high	176 Å²	176	84.9 Å²	84.9	82%	0.822	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-74.1	158.5	164.4	-61.3	-169.9	173.6	0	0	110.9	V494	E447-V494 WeakPolarHBondContact O-CG1 3.2Å
448	C	95.6	Very high	94.2	Very high	17 Å²	17	84.5 Å²	84.5	12%	0.115	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-85.1	137.4	175	-55.9	0	0	0	0	111.2	A452 K455 C458	C448-A452 HydrophobicContact CB-CB 3.67Å; C448-K455 WeakPolarHBondContact CB-O 3.25Å; C448-K455 PolarHBondContact SG-O 3.28Å; C448-C458 VanDerWaalsContact CA-SG 3.52Å; C448-C458 HydrophobicContact CB-CB 3.67Å; C448-C458 WeakPolarHBondContact CB-SG 3.46Å; C448-C458 WeakPolarHBondContact SG-CB 3.42Å; C448-C458 CovalentContact SG-SG 2.02Å; C448-C458 PolarHBondContact SG-SG 2.84Å
449	D	94.1	Very high	94.4	Very high	48 Å²	48	81 Å²	81	26%	0.257	41%	0.413	S	S	.	.			trans	-79.2	-174.8	-177.7	97.1	-27.1	0	0	0	113.6	T451 A452 V494 S499	D449-T451 PolarHBondContact O-N 3.24Å; D449-T451 VanDerWaalsContact OD1-CB 3.28Å; D449-T451 WeakPolarHBondContact OD1-CB 3.46Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.19Å; D449-T451 PolarHBondContact OD1-N 3.08Å; D449-T451 PolarHBondContact OD1-OG1 2.65Å; D449-A452 PolarHBondContact O-N 2.81Å; D449-A452 VanDerWaalsContact O-N 3.13Å; D449-V494 WeakPolarHBondContact CB-O 3.25Å; D449-V494 PolarHBondContact N-O 2.95Å; D449-S499 WeakPolarHBondContact OD2-CB 3.23Å; D449-S499 PolarHBondContact OD2-OG 2.78Å
450	A	94.6	Very high	94.4	Very high	108 Å²	108	77.3 Å²	77.3	89%	0.893	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.8	-177.3	0	0	0	0	0	115
451	T	93	Very high	94.4	Very high	48 Å²	48	77.3 Å²	77.3	29%	0.294	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.3	169.8	68.3	0	0	0	0	112	D449 G495 D496	D449-T451 PolarHBondContact O-N 3.24Å; D449-T451 VanDerWaalsContact OD1-CB 3.28Å; D449-T451 WeakPolarHBondContact OD1-CB 3.46Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.19Å; D449-T451 PolarHBondContact OD1-N 3.08Å; D449-T451 PolarHBondContact OD1-OG1 2.65Å; T451-G495 WeakPolarHBondContact OG1-CA 3.44Å; T451-D496 PolarHBondContact OG1-N 2.72Å
452	A	94.2	Very high	94.4	Very high	20 Å²	20	70.7 Å²	70.7	17%	0.165	37%	0.371	C	S	.	.			trans	-77.8	130.3	-170.5	0	0	0	0	0	113.3	C448 D449 N454 C458 D496	C448-A452 HydrophobicContact CB-CB 3.67Å; D449-A452 PolarHBondContact O-N 2.81Å; D449-A452 VanDerWaalsContact O-N 3.13Å; A452-N454 VanDerWaalsContact C-N 3.27Å; A452-N454 WeakPolarHBondContact CB-O 3.37Å; A452-N454 PolarHBondContact O-N 3.42Å; A452-C458 HydrophobicContact CB-CB 4Å; A452-D496 WeakPolarHBondContact CA-OD2 3.25Å
453	K	92.1	Very high	94.5	Very high	172 Å²	172	68.8 Å²	68.8	75%	0.748	36%	0.362	S	S	*	.	S	Bend	trans	-70.2	-25.4	175.3	-68.5	153.5	-173.7	160.8	0	111.7	D422 D496	D422-K453 IonicContact OD2-NZ 2.77Å; D422-K453 PolarHBondContact OD2-NZ 3.43Å; D422-K453 VanDerWaalsContact OD2-NZ 3.09Å; K453-D496 WeakPolarHBondContact CB-OD2 3.42Å; K453-D496 WeakPolarHBondContact CG-OD2 3.42Å; K453-D496 PolarHBondContact N-OD2 3.06Å
454	N	92.5	Very high	94.5	Very high	57 Å²	57	68.6 Å²	68.6	31%	0.305	36%	0.361	S	S	.	.	S	Bend	trans	-121.8	133.6	171.6	-173.9	-9.7	0	0	0	110.5	A452 N456 E457	A452-N454 VanDerWaalsContact C-N 3.27Å; A452-N454 WeakPolarHBondContact CB-O 3.37Å; A452-N454 PolarHBondContact O-N 3.42Å; N454-N456 PolarHBondContact O-N 2.79Å; N454-N456 PolarHBondContact OD1-N 3.23Å; N454-N456 VanDerWaalsContact OD1-N 3.09Å; N454-E457 HydrophobicContact CB-CB 4.1Å; N454-E457 WeakPolarHBondContact ND2-CG 3.44Å; N454-E457 PolarHBondContact ND2-OE2 3.26Å
455	K	88.8	Confident	94.8	Very high	172 Å²	172	64.7 Å²	64.7	75%	0.748	35%	0.348	S	S	*	.	S	Bend	trans	-68.1	-17.8	179.2	-67.8	-160.1	173.3	-152.7	0	114.9	C448	C448-K455 WeakPolarHBondContact CB-O 3.25Å; C448-K455 PolarHBondContact SG-O 3.28Å
456	N	89.9	Confident	95.1	Very high	128 Å²	128	59.3 Å²	59.3	68%	0.684	32%	0.316	S	S	*	.	S	Bend	trans	-111	-19.7	-174.2	-59.9	-30.2	0	0	0	113.4	N454	N454-N456 PolarHBondContact O-N 2.79Å; N454-N456 PolarHBondContact OD1-N 3.23Å; N454-N456 VanDerWaalsContact OD1-N 3.09Å
457	E	93.9	Very high	95.3	Very high	140 Å²	140	58.6 Å²	58.6	65%	0.654	31%	0.311	S	S	*	.			trans	-125	108.9	-172.2	-65.2	169.9	171.7	0	0	108.2	N454	N454-E457 HydrophobicContact CB-CB 4.1Å; N454-E457 WeakPolarHBondContact ND2-CG 3.44Å; N454-E457 PolarHBondContact ND2-OE2 3.26Å
458	C	96.6	Very high	95.5	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.128	29%	0.288	C	S	.	.			trans	-165.2	173.6	-176.2	62.4	0	0	0	0	109.1	K442 C448 A452 V494 G495	K442-C458 WeakPolarHBondContact CD-SG 3.37Å; C448-C458 VanDerWaalsContact CA-SG 3.52Å; C448-C458 HydrophobicContact CB-CB 3.67Å; C448-C458 WeakPolarHBondContact CB-SG 3.46Å; C448-C458 WeakPolarHBondContact SG-CB 3.42Å; C448-C458 CovalentContact SG-SG 2.02Å; C448-C458 PolarHBondContact SG-SG 2.84Å; A452-C458 HydrophobicContact CB-CB 4Å; C458-V494 VanDerWaalsContact SG-CG1 3.55Å; C458-G495 WeakPolarHBondContact CB-O 3.46Å
459	S	98.1	Very high	95.5	Very high	22 Å²	22	54.3 Å²	54.3	15%	0.154	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	171.5	-176.4	-59.1	0	0	0	0	112.4	H439 L440 V494 G495	H439-S459 VanDerWaalsContact CB-OG 3.27Å; H439-S459 WeakPolarHBondContact CB-OG 3.42Å; L440-S459 WeakPolarHBondContact O-CB 3.2Å; S459-V494 CarbonylContact O-C 3.49Å; S459-V494 WeakPolarHBondContact O-CA 3.41Å; S459-G495 PolarHBondContact N-O 3.14Å; S459-G495 PolarHBondContact O-N 2.93Å
460	L	98.7	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132	164	178.4	66.6	0	0	0	109.7	L440 I462 V494 Y506 W515	L440-L460 HydrophobicContact CB-CB 4.01Å; L440-L460 HydrophobicContact CD2-CD2 4.4Å; L440-L460 PolarHBondContact O-N 3.08Å; L460-I462 HydrophobicContact CD2-CD1 3.92Å; L460-I462 HydrophobicContact CG-CD1 3.96Å; L460-V494 HydrophobicContact CD1-CG2 3.8Å; L460-Y506 HydrophobicContact CD1-CD1 4.12Å; L460-Y506 HydrophobicContact CD1-CD2 3.93Å; L460-Y506 HydrophobicContact CD1-CE1 4.35Å; L460-Y506 HydrophobicContact CD1-CE2 4.18Å; L460-Y506 HydrophobicContact CD1-CG 3.91Å; L460-Y506 HydrophobicContact CD2-CG 4.47Å; L460-W515 HydrophobicContact CD2-CB 3.77Å; L460-W515 HydrophobicContact CD2-CD2 3.36Å; L460-W515 HydrophobicContact CD2-CE3 3.73Å; L460-W515 HydrophobicContact CD2-CG 3.37Å; L460-W515 HydrophobicContact CD2-CZ3 4.49Å
461	H	98.7	Very high	95.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.1	176.6	-67.8	-102.7	0	0	0	109.4	T427 G492 S493 G495 D496 A497 I498	T427-H461 PolarHBondContact N-ND1 3.25Å; T427-H461 WeakPolarHBondContact OG1-CA 3.26Å; H461-G492 CarbonylContact O-C 3.56Å; H461-G492 WeakPolarHBondContact O-CA 3.38Å; H461-S493 PolarHBondContact N-O 2.81Å; H461-S493 PolarHBondContact O-N 2.85Å; H461-G495 PolarHBondContact CD2-O 2.87Å; H461-G495 PolarHBondContact NE2-O 3.42Å; H461-D496 VanDerWaalsContact CE1-C 3.44Å; H461-D496 PolarHBondContact CE1-O 3.09Å; H461-D496 VanDerWaalsContact CE1-O 3.28Å; H461-D496 VanDerWaalsContact NE2-C 3.34Å; H461-A497 VanDerWaalsContact CE1-CA 3.42Å; H461-A497 WeakPolarHBondContact CE1-CA 3.44Å; H461-A497 PolarHBondContact CE1-N 2.72Å; H461-A497 VanDerWaalsContact CG-C 3.47Å; H461-A497 WeakPolarHBondContact ND1-CA 3.44Å; H461-A497 PolarHBondContact NE2-N 2.93Å; H461-I498 HydrophobicContact CB-CG1 3.93Å
462	I	98.8	Very high	95.8	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.3	-169	-59.4	-60.6	0	0	0	110.5	T427 L440 L460 P478 A490 I498 W515	T427-I462 HydrophobicContact CG2-CB 3.89Å; T427-I462 HydrophobicContact CG2-CG1 3.95Å; T427-I462 PolarHBondContact OG1-N 2.89Å; L440-I462 HydrophobicContact CD2-CD1 4.05Å; L440-I462 HydrophobicContact CD2-CG1 3.64Å; L460-I462 HydrophobicContact CD2-CD1 3.92Å; L460-I462 HydrophobicContact CG-CD1 3.96Å; I462-P478 HydrophobicContact CG2-CG 3.53Å; I462-A490 HydrophobicContact CD1-CB 3.96Å; I462-A490 HydrophobicContact CG2-CB 3.94Å; I462-I498 WeakPolarHBondContact O-CD1 3.36Å; I462-W515 HydrophobicContact CD1-CH2 4.43Å
463	H	98.6	Very high	96	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.306	C	S	.	.			trans	-92.7	120	172.2	-63.8	-77.6	0	0	0	110.8	S467 V474 H491 S493 I498 S499	H463-S467 WeakPolarHBondContact ND1-CB 3.46Å; H463-S467 PolarHBondContact ND1-OG 3.14Å; H463-V474 HydrophobicContact CB-CB 4.45Å; H463-V474 HydrophobicContact CB-CG1 3.87Å; H463-V474 HydrophobicContact CB-CG2 3.66Å; H463-H491 HydrophobicContact CB-CB 4.06Å; H463-H491 PolarHBondContact N-O 2.82Å; H463-S493 PolarHBondContact NE2-OG 3.42Å; H463-I498 WeakPolarHBondContact CE1-CG2 3.48Å; H463-S499 PolarHBondContact CE1-O 2.8Å; H463-S499 VanDerWaalsContact CE1-O 3.25Å
464	A	98.1	Very high	96.2	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	27%	0.273	C	S	.	.			trans	-129.1	-149.8	171.3	0	0	0	0	0	110.8	D403 Y466 S467 I468 P478	D403-A464 HydrophobicContact CB-CB 3.93Å; D403-A464 WeakPolarHBondContact OD1-CB 3.43Å; A464-Y466 VanDerWaalsContact C-N 3.3Å; A464-Y466 PolarHBondContact O-N 2.93Å; A464-S467 WeakPolarHBondContact O-CB 3.21Å; A464-S467 PolarHBondContact O-N 3.33Å; A464-I468 PolarHBondContact O-N 3.49Å; A464-P478 HydrophobicContact CB-CG 4.26Å
465	S	97.6	Very high	96.4	Very high	43 Å²	43	53.2 Å²	53.2	30%	0.301	27%	0.266	S	S	.	.	H	α-helix	trans	-47	-45.6	-170.1	-33.8	0	0	0	0	114	T402 D403 S467 I468 S469	T402-S465 WeakPolarHBondContact O-CB 3.43Å; T402-S465 PolarHBondContact O-OG 2.62Å; D403-S465 PolarHBondContact OD1-N 2.94Å; D403-S465 VanDerWaalsContact OD1-N 3.08Å; S465-S467 PolarHBondContact O-N 3.23Å; S465-I468 PolarHBondContact O-N 3.01Å; S465-S469 PolarHBondContact O-N 2.94Å
466	Y	96.7	Very high	96.9	Very high	52 Å²	52	47.4 Å²	47.4	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-42.9	-179.5	178.3	-92.9	0	0	0	111.9	L394 T396 D403 I425 A464 I468 S469 Q470	L394-Y466 HydrophobicContact CD2-CD1 3.86Å; L394-Y466 HydrophobicContact CD2-CD2 3.92Å; L394-Y466 HydrophobicContact CD2-CE1 4.36Å; L394-Y466 HydrophobicContact CD2-CE2 4.39Å; L394-Y466 HydrophobicContact CD2-CG 3.63Å; L394-Y466 HydrophobicContact CG-CD2 4.44Å; T396-Y466 HydrophobicContact CG2-CD2 3.63Å; T396-Y466 HydrophobicContact CG2-CE2 3.61Å; D403-Y466 WeakPolarHBondContact OD1-CB 3.47Å; D403-Y466 PolarHBondContact OD1-N 3.11Å; I425-Y466 HydrophobicContact CD1-CD1 3.86Å; I425-Y466 HydrophobicContact CD1-CE1 3.28Å; A464-Y466 VanDerWaalsContact C-N 3.3Å; A464-Y466 PolarHBondContact O-N 2.93Å; Y466-I468 PolarHBondContact O-N 3.02Å; Y466-S469 PolarHBondContact O-N 3.43Å; Y466-S469 PolarHBondContact O-OG 3.24Å; Y466-Q470 HydrophobicContact CD1-CG 4.07Å; Y466-Q470 HydrophobicContact CE1-CG 3.55Å; Y466-Q470 HydrophobicContact CE2-CG 4.13Å; Y466-Q470 WeakPolarHBondContact O-CG 3.38Å; Y466-Q470 PolarHBondContact O-N 2.9Å
467	S	97.3	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-34.5	176.9	-70.1	0	0	0	0	112.3	H463 A464 S465 L472	H463-S467 WeakPolarHBondContact ND1-CB 3.46Å; H463-S467 PolarHBondContact ND1-OG 3.14Å; A464-S467 WeakPolarHBondContact O-CB 3.21Å; A464-S467 PolarHBondContact O-N 3.33Å; S465-S467 PolarHBondContact O-N 3.23Å; S467-L472 WeakPolarHBondContact O-CB 3.48Å; S467-L472 PolarHBondContact O-N 3.17Å; S467-L472 VanDerWaalsContact O-N 3.14Å
468	I	96.9	Very high	97.5	Very high	68 Å²	68	37.5 Å²	37.5	35%	0.349	20%	0.2	S	C	.	.	H	α-helix	trans	-71.4	-43.2	176.2	-61.6	167.9	0	0	0	110.4	A464 S465 Y466 Q470 K471 V474 A477	A464-I468 PolarHBondContact O-N 3.49Å; S465-I468 PolarHBondContact O-N 3.01Å; Y466-I468 PolarHBondContact O-N 3.02Å; I468-Q470 VanDerWaalsContact C-N 3.32Å; I468-Q470 PolarHBondContact O-N 2.96Å; I468-K471 WeakPolarHBondContact O-CA 3.39Å; I468-K471 PolarHBondContact O-N 3.17Å; I468-V474 HydrophobicContact CD1-CG1 4.14Å; I468-V474 HydrophobicContact CG1-CB 3.95Å; I468-V474 HydrophobicContact CG1-CG1 3.63Å; I468-A477 HydrophobicContact CD1-CB 4.02Å
469	S	96	Very high	97.6	Very high	36 Å²	36	38.2 Å²	38.2	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-66.6	-32.5	178.6	79.7	0	0	0	0	112.8	S465 Y466 K471	S465-S469 PolarHBondContact O-N 2.94Å; Y466-S469 PolarHBondContact O-N 3.43Å; Y466-S469 PolarHBondContact O-OG 3.24Å; S469-K471 PolarHBondContact O-N 3.16Å
470	Q	95.6	Very high	97.6	Very high	102 Å²	102	38 Å²	38	48%	0.477	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-0.2	169.6	-61.9	-38.1	-70.7	0	0	114.1	Y466 I468 L472	Y466-Q470 HydrophobicContact CD1-CG 4.07Å; Y466-Q470 HydrophobicContact CE1-CG 3.55Å; Y466-Q470 HydrophobicContact CE2-CG 4.13Å; Y466-Q470 WeakPolarHBondContact O-CG 3.38Å; Y466-Q470 PolarHBondContact O-N 2.9Å; I468-Q470 VanDerWaalsContact C-N 3.32Å; I468-Q470 PolarHBondContact O-N 2.96Å; Q470-L472 VanDerWaalsContact C-N 3.28Å; Q470-L472 PolarHBondContact O-N 2.85Å
471	K	95.9	Very high	97.5	Very high	189 Å²	189	40.1 Å²	40.1	82%	0.822	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	32.5	177.6	-51.9	163.5	-170.7	163.7	0	113.3	I468 S469	I468-K471 WeakPolarHBondContact O-CA 3.39Å; I468-K471 PolarHBondContact O-N 3.17Å; S469-K471 PolarHBondContact O-N 3.16Å
472	L	96.9	Very high	97.5	Very high	44 Å²	44	44 Å²	44	23%	0.23	24%	0.236	C	C	.	.			trans	-65	165.2	164.2	-60	-177	0	0	0	109.9	S467 Q470 V474 V500	S467-L472 WeakPolarHBondContact O-CB 3.48Å; S467-L472 PolarHBondContact O-N 3.17Å; S467-L472 VanDerWaalsContact O-N 3.14Å; Q470-L472 VanDerWaalsContact C-N 3.28Å; Q470-L472 PolarHBondContact O-N 2.85Å; L472-V474 HydrophobicContact CB-CG2 3.98Å; L472-V474 PolarHBondContact O-N 3.38Å; L472-V500 HydrophobicContact CD2-CB 4.16Å; L472-V500 HydrophobicContact CD2-CG1 4.27Å
473	N	97.4	Very high	97.4	Very high	60 Å²	60	44.3 Å²	44.3	32%	0.321	24%	0.238	S	C	.	.	S	Bend	trans	-78.1	57.4	-175.7	-162.8	17.7	0	0	0	112.3	V502 P503 P522 H539	N473-V502 HydrophobicContact CB-CG1 4.48Å; N473-V502 HydrophobicContact CB-CG2 4.18Å; N473-V502 WeakPolarHBondContact ND2-CG1 3.45Å; N473-P503 WeakPolarHBondContact O-CD 3.33Å; N473-P522 WeakPolarHBondContact O-CB 3.43Å; N473-H539 PolarHBondContact OD1-CD2 3.32Å; N473-H539 VanDerWaalsContact OD1-CD2 3.27Å; N473-H539 PolarHBondContact OD1-NE2 2.91Å
474	V	98.1	Very high	97.4	Very high	10 Å²	10	44.3 Å²	44.3	6%	0.061	24%	0.238	C	C	.	.			trans	-117.9	98.8	-171.1	-179.1	0	0	0	0	108.5	H463 I468 L472 M476 H491 P503	H463-V474 HydrophobicContact CB-CB 4.45Å; H463-V474 HydrophobicContact CB-CG1 3.87Å; H463-V474 HydrophobicContact CB-CG2 3.66Å; I468-V474 HydrophobicContact CD1-CG1 4.14Å; I468-V474 HydrophobicContact CG1-CB 3.95Å; I468-V474 HydrophobicContact CG1-CG1 3.63Å; L472-V474 HydrophobicContact CB-CG2 3.98Å; L472-V474 PolarHBondContact O-N 3.38Å; V474-M476 WeakPolarHBondContact CG1-O 3.28Å; V474-H491 HydrophobicContact CG1-CB 4.2Å; V474-P503 HydrophobicContact CG2-CG 4.16Å
475	P	96.9	Very high	97.4	Very high	24 Å²	24	44.6 Å²	44.6	16%	0.156	24%	0.24	C	C	.	.	S	Bend	trans	-76.2	-22.9	-176.7	27.5	-35	0	0	0	114.2	H491 P522 Y524 H539	P475-H491 WeakPolarHBondContact CD-NE2 3.29Å; P475-H491 VanDerWaalsContact CG-CE1 3.47Å; P475-H491 WeakPolarHBondContact CG-CE1 3.42Å; P475-H491 WeakPolarHBondContact CG-NE2 3.45Å; P475-P522 HydrophobicContact CG-CB 3.94Å; P475-Y524 HydrophobicContact CB-CD1 3.98Å; P475-Y524 HydrophobicContact CB-CD2 3.99Å; P475-Y524 HydrophobicContact CB-CE1 3.56Å; P475-Y524 HydrophobicContact CB-CE2 3.58Å; P475-Y524 HydrophobicContact CB-CG 4.18Å; P475-Y524 HydrophobicContact CG-CE2 4.45Å; P475-Y524 WeakPolarHBondContact O-CE1 3.44Å; P475-H539 HydrophobicContact CB-CB 4.06Å; P475-H539 HydrophobicContact CG-CB 3.85Å
476	M	97.4	Very high	97.4	Very high	50 Å²	50	42.5 Å²	42.5	25%	0.246	23%	0.225	C	C	.	.			trans	-146.8	143.3	-178.9	-70.7	-171.5	59.6	0	0	111.6	V474 H491 Y524 Y525	V474-M476 WeakPolarHBondContact CG1-O 3.28Å; M476-H491 PolarHBondContact O-ND1 2.99Å; M476-Y524 HydrophobicContact CG-CD1 3.68Å; M476-Y524 HydrophobicContact CG-CE1 4.34Å; M476-Y524 HydrophobicContact CG-CG 4.4Å; M476-Y524 VanDerWaalsContact SD-CA 3.55Å; M476-Y524 HydrophobicContact SD-CD1 3.86Å; M476-Y524 HydrophobicContact SD-CG 4.27Å; M476-Y525 HydrophobicContact CB-CE1 4.46Å; M476-Y525 HydrophobicContact CB-CE2 4.05Å; M476-Y525 HydrophobicContact CE-CD2 3.96Å; M476-Y525 HydrophobicContact CE-CE2 3.99Å; M476-Y525 WeakPolarHBondContact CE-O 3.37Å; M476-Y525 PolarHBondContact O-OH 3.2Å; M476-Y525 HydrophobicContact SD-CD2 4.26Å; M476-Y525 HydrophobicContact SD-CE2 4.43Å; M476-Y525 PolarHBondContact SD-N 3.26Å
477	A	98	Very high	97.5	Very high	36 Å²	36	40.1 Å²	40.1	30%	0.298	22%	0.216	S	C	.	.			trans	-73.2	173.5	166.4	0	0	0	0	0	110.9	I468 Y525	I468-A477 HydrophobicContact CD1-CB 4.02Å; A477-Y525 PolarHBondContact O-OH 3.02Å
478	P	98.6	Very high	97.6	Very high	25 Å²	25	40.1 Å²	40.1	16%	0.162	22%	0.216	C	C	.	.			trans	-59.6	139.7	-179.6	-25.8	36.4	0	0	0	113.5	T405 I462 A464 I489 A490	T405-P478 HydrophobicContact CG2-CB 4.28Å; I462-P478 HydrophobicContact CG2-CG 3.53Å; A464-P478 HydrophobicContact CB-CG 4.26Å; P478-I489 CarbonylContact C-O 3.46Å; P478-I489 VanDerWaalsContact CA-O 3.3Å; P478-I489 WeakPolarHBondContact CA-O 3.19Å; P478-A490 HydrophobicContact CB-CB 3.98Å; P478-A490 HydrophobicContact CG-CB 3.99Å
479	L	98.6	Very high	97.7	Very high	34 Å²	34	36.9 Å²	36.9	18%	0.178	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-113.5	131.8	176.5	178.9	63.9	0	0	0	110.4	E481 I489 Y525 I527	L479-E481 HydrophobicContact CD1-CG 4.35Å; L479-I489 PolarHBondContact N-O 3.16Å; L479-I489 PolarHBondContact O-N 2.84Å; L479-Y525 HydrophobicContact CB-CD2 3.91Å; L479-Y525 HydrophobicContact CB-CE2 3.7Å; L479-Y525 HydrophobicContact CD2-CD2 4.02Å; L479-I527 HydrophobicContact CD2-CD1 4.18Å; L479-I527 HydrophobicContact CD2-CG1 3.97Å; L479-I527 HydrophobicContact CG-CD1 4.16Å
480	S	98.4	Very high	97.8	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.119	19%	0.188	C	C	.	.			trans	-145.6	147.9	166.4	59	0	0	0	0	108.3	T408	T408-S480 PolarHBondContact N-OG 2.64Å; T408-S480 VanDerWaalsContact OG1-C 3.31Å; T408-S480 PolarHBondContact OG1-O 3.09Å; T408-S480 VanDerWaalsContact OG1-O 3.1Å; T408-S480 PolarHBondContact OG1-OG 3.06Å
481	E	98.2	Very high	98	Very high	44 Å²	44	30.4 Å²	30.4	21%	0.206	17%	0.165	C	C	.	.			trans	-133.3	135.3	-178.6	-74.4	-82.3	-159.9	0	0	109.3	T408 S409 L479 N483 A484 I527 A578	T408-E481 PolarHBondContact OG1-N 3.22Å; S409-E481 WeakPolarHBondContact CB-O 3.35Å; L479-E481 HydrophobicContact CD1-CG 4.35Å; E481-N483 VanDerWaalsContact C-N 3.25Å; E481-N483 PolarHBondContact O-N 3.23Å; E481-A484 HydrophobicContact CB-CB 4.14Å; E481-A484 PolarHBondContact O-N 3.17Å; E481-I527 HydrophobicContact CB-CD1 4.45Å; E481-I527 HydrophobicContact CG-CD1 4.34Å; E481-A578 HydrophobicContact CB-CB 4.21Å; E481-A578 HydrophobicContact CG-CB 3.81Å
482	P	97.7	Very high	98.1	Very high	83 Å²	83	21.5 Å²	21.5	54%	0.539	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.4	-168.5	28.7	-35.9	0	0	0	114.4	T408	T408-P482 WeakPolarHBondContact O-CA 3.35Å
483	N	97.5	Very high	98.1	Very high	10 Å²	10	20 Å²	20	5%	0.053	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.6	169.7	50.7	-31.1	0	0	0	113.3	E481 V485 S530 G577 V659	E481-N483 VanDerWaalsContact C-N 3.25Å; E481-N483 PolarHBondContact O-N 3.23Å; N483-V485 PolarHBondContact O-N 2.91Å; N483-S530 WeakPolarHBondContact ND2-CB 3.22Å; N483-S530 PolarHBondContact ND2-OG 2.85Å; N483-G577 PolarHBondContact ND2-O 2.93Å; N483-V659 HydrophobicContact CB-CG2 4.4Å
484	A	97.9	Very high	98.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.008	11%	0.107	C	C	.	.	S	Bend	trans	-94.4	66.3	178.7	0	0	0	0	0	110.8	S409 E481 G486 I487 I527 S530	S409-A484 VanDerWaalsContact CB-O 3.29Å; S409-A484 WeakPolarHBondContact CB-O 3.43Å; E481-A484 HydrophobicContact CB-CB 4.14Å; E481-A484 PolarHBondContact O-N 3.17Å; A484-G486 PolarHBondContact O-N 3.26Å; A484-I487 HydrophobicContact CB-CB 4.29Å; A484-I487 HydrophobicContact CB-CD1 4.25Å; A484-I487 HydrophobicContact CB-CG1 4.47Å; A484-I487 WeakPolarHBondContact O-CB 3.47Å; A484-I487 PolarHBondContact O-N 2.88Å; A484-I527 HydrophobicContact CB-CD1 4.34Å; A484-I527 HydrophobicContact CB-CG2 3.89Å; A484-S530 WeakPolarHBondContact CA-O 3.4Å
485	V	98.4	Very high	98.2	Very high	7 Å²	7	17 Å²	17	4%	0.042	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	124.3	-168.7	-177.1	0	0	0	0	112.9	N483 I487 W620 F642 R644 V659	N483-V485 PolarHBondContact O-N 2.91Å; V485-I487 PolarHBondContact O-N 2.84Å; V485-W620 HydrophobicContact CG1-CE3 4.29Å; V485-W620 HydrophobicContact CG1-CZ3 3.8Å; V485-F642 HydrophobicContact CB-CD1 4.38Å; V485-F642 HydrophobicContact CG1-CD1 3.67Å; V485-F642 HydrophobicContact CG1-CD2 4.36Å; V485-F642 HydrophobicContact CG1-CE1 3.72Å; V485-F642 HydrophobicContact CG1-CE2 4.43Å; V485-F642 HydrophobicContact CG1-CG 4Å; V485-F642 HydrophobicContact CG1-CZ 4.13Å; V485-F642 HydrophobicContact CG2-CD1 3.86Å; V485-F642 HydrophobicContact CG2-CE1 3.94Å; V485-R644 HydrophobicContact CB-CG 4.23Å; V485-R644 HydrophobicContact CG1-CG 4.38Å; V485-R644 PolarHBondContact O-NE 2.67Å; V485-R644 PolarHBondContact O-NH2 3.04Å; V485-V659 HydrophobicContact CG2-CB 4.42Å; V485-V659 HydrophobicContact CG2-CG1 3.49Å; V485-V659 VanDerWaalsContact CG2-CG1 3.49Å; V485-V659 HydrophobicContact CG2-CG2 3.98Å
486	G	97.8	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-12.6	179.8	0	0	0	0	0	115.8	S409 A484 V488 D509 D510 G511	S409-G486 PolarHBondContact O-N 2.9Å; A484-G486 PolarHBondContact O-N 3.26Å; G486-V488 PolarHBondContact O-N 2.75Å; G486-D509 CarbonylContact O-C 3.57Å; G486-D509 WeakPolarHBondContact O-CA 3.24Å; G486-D510 PolarHBondContact O-N 2.74Å; G486-G511 PolarHBondContact O-N 3.41Å
487	I	98.8	Very high	98.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.097	C	C	.	.			trans	-77.2	126.9	-176.3	-56.6	-173.9	0	0	0	110.9	S409 A484 V485 I489 I507 S508 I527 I534 E553	S409-I487 VanDerWaalsContact CB-O 3.27Å; S409-I487 WeakPolarHBondContact CB-O 3.46Å; S409-I487 PolarHBondContact OG-O 2.96Å; A484-I487 HydrophobicContact CB-CB 4.29Å; A484-I487 HydrophobicContact CB-CD1 4.25Å; A484-I487 HydrophobicContact CB-CG1 4.47Å; A484-I487 WeakPolarHBondContact O-CB 3.47Å; A484-I487 PolarHBondContact O-N 2.88Å; V485-I487 PolarHBondContact O-N 2.84Å; I487-I489 HydrophobicContact CG2-CD1 4.47Å; I487-I489 HydrophobicContact CG2-CG1 4.13Å; I487-I507 HydrophobicContact CG2-CD1 4.26Å; I487-S508 CarbonylContact C-O 3.59Å; I487-S508 WeakPolarHBondContact CA-O 3.26Å; I487-I527 HydrophobicContact CG2-CD1 3.92Å; I487-I534 HydrophobicContact CG2-CD1 4.3Å; I487-E553 HydrophobicContact CD1-CB 4.36Å; I487-E553 HydrophobicContact CD1-CG 3.93Å
488	V	98.8	Very high	98.2	Very high	2 Å²	2	15 Å²	15	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124	174.3	-159.3	0	0	0	0	108.9	V407 G486 I507 S508 W515	V407-V488 HydrophobicContact CG1-CB 4.47Å; V407-V488 HydrophobicContact CG1-CG1 4.19Å; V407-V488 HydrophobicContact CG1-CG2 3.43Å; V407-V488 VanDerWaalsContact CG1-CG2 3.43Å; G486-V488 PolarHBondContact O-N 2.75Å; V488-I507 CarbonylContact O-C 3.46Å; V488-I507 VanDerWaalsContact O-CA 3.32Å; V488-I507 WeakPolarHBondContact O-CA 3.48Å; V488-S508 PolarHBondContact N-O 2.85Å; V488-S508 PolarHBondContact O-N 3Å; V488-W515 HydrophobicContact CB-CH2 3.87Å; V488-W515 HydrophobicContact CB-CZ3 4.37Å; V488-W515 HydrophobicContact CG1-CH2 3.79Å
489	I	98.9	Very high	98	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.3	-179.2	-48.3	174.9	0	0	0	109	P478 L479 I487 V505 I507 M518 Y525 I527 I534	P478-I489 CarbonylContact C-O 3.46Å; P478-I489 VanDerWaalsContact CA-O 3.3Å; P478-I489 WeakPolarHBondContact CA-O 3.19Å; L479-I489 PolarHBondContact N-O 3.16Å; L479-I489 PolarHBondContact O-N 2.84Å; I487-I489 HydrophobicContact CG2-CD1 4.47Å; I487-I489 HydrophobicContact CG2-CG1 4.13Å; I489-V505 HydrophobicContact CG2-CG1 3.63Å; I489-I507 HydrophobicContact CG1-CD1 4.05Å; I489-I507 HydrophobicContact CG1-CG1 4.21Å; I489-M518 HydrophobicContact CD1-SD 4.48Å; I489-M518 HydrophobicContact CG1-SD 4.49Å; I489-M518 HydrophobicContact CG2-CE 3.97Å; I489-M518 HydrophobicContact CG2-SD 3.78Å; I489-Y525 HydrophobicContact CB-CD2 4.16Å; I489-Y525 HydrophobicContact CB-CE2 4.28Å; I489-Y525 HydrophobicContact CB-CG 4.4Å; I489-Y525 HydrophobicContact CG2-CD1 3.62Å; I489-Y525 HydrophobicContact CG2-CD2 3.86Å; I489-Y525 HydrophobicContact CG2-CE1 3.85Å; I489-Y525 HydrophobicContact CG2-CE2 4.1Å; I489-Y525 HydrophobicContact CG2-CG 3.63Å; I489-I527 HydrophobicContact CD1-CD1 4.19Å; I489-I527 HydrophobicContact CD1-CG1 3.88Å; I489-I534 HydrophobicContact CD1-CD1 4.2Å; I489-I534 HydrophobicContact CD1-CG2 3.59Å
490	A	98.8	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150.6	-176.2	0	0	0	0	0	113.5	I462 P478 V505 Y506	I462-A490 HydrophobicContact CD1-CB 3.96Å; I462-A490 HydrophobicContact CG2-CB 3.94Å; P478-A490 HydrophobicContact CB-CB 3.98Å; P478-A490 HydrophobicContact CG-CB 3.99Å; A490-V505 WeakPolarHBondContact O-CA 3.36Å; A490-Y506 PolarHBondContact N-O 2.97Å; A490-Y506 PolarHBondContact O-N 3.12Å
491	H	98.9	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.2	162.4	-68.2	93	0	0	0	110.1	H463 V474 P475 M476 P503 D504 H523 Y525	H463-H491 HydrophobicContact CB-CB 4.06Å; H463-H491 PolarHBondContact N-O 2.82Å; V474-H491 HydrophobicContact CG1-CB 4.2Å; P475-H491 WeakPolarHBondContact CD-NE2 3.29Å; P475-H491 VanDerWaalsContact CG-CE1 3.47Å; P475-H491 WeakPolarHBondContact CG-CE1 3.42Å; P475-H491 WeakPolarHBondContact CG-NE2 3.45Å; M476-H491 PolarHBondContact O-ND1 2.99Å; H491-P503 HydrophobicContact CB-CB 4.24Å; H491-P503 HydrophobicContact CB-CG 4.15Å; H491-D504 WeakPolarHBondContact CA-O 3.29Å; H491-H523 PolarHBondContact CE1-O 3.42Å; H491-H523 PolarHBondContact NE2-N 3.09Å; H491-H523 PolarHBondContact NE2-O 2.96Å; H491-Y525 AromaticContact CE1-CE1 3.42Å; H491-Y525 VanDerWaalsContact CE1-CE1 3.42Å; H491-Y525 WeakPolarHBondContact CE1-CE1 3.18Å; H491-Y525 AromaticContact CE1-CZ 3.98Å; H491-Y525 AromaticContact ND1-CE1 3.76Å; H491-Y525 AromaticContact ND1-CZ 3.98Å; H491-Y525 PolarHBondContact ND1-OH 3.09Å
492	G	98.1	Very high	97.8	Very high	2 Å²	2	25 Å²	25	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	173.1	-178.6	0	0	0	0	0	116	H461 P503 D504 Y506	H461-G492 CarbonylContact O-C 3.56Å; H461-G492 WeakPolarHBondContact O-CA 3.38Å; G492-P503 WeakPolarHBondContact O-CB 3.34Å; G492-D504 PolarHBondContact N-O 3.1Å; G492-Y506 WeakPolarHBondContact O-CE2 3.49Å
493	S	98	Very high	97.8	Very high	12 Å²	12	21.3 Å²	21.3	8%	0.084	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.4	173.2	34.4	0	0	0	0	109.6	H461 H463 S499	H461-S493 PolarHBondContact N-O 2.81Å; H461-S493 PolarHBondContact O-N 2.85Å; H463-S493 PolarHBondContact NE2-OG 3.42Å; S493-S499 PolarHBondContact OG-N 3.18Å
494	V	98.4	Very high	97.9	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	111	-175.8	174.6	0	0	0	0	108.7	K442 E447 D449 C458 S459 L460 Y506	K442-V494 HydrophobicContact CB-CG1 3.86Å; K442-V494 HydrophobicContact CD-CG1 4.32Å; E447-V494 WeakPolarHBondContact O-CG1 3.2Å; D449-V494 WeakPolarHBondContact CB-O 3.25Å; D449-V494 PolarHBondContact N-O 2.95Å; C458-V494 VanDerWaalsContact SG-CG1 3.55Å; S459-V494 CarbonylContact O-C 3.49Å; S459-V494 WeakPolarHBondContact O-CA 3.41Å; L460-V494 HydrophobicContact CD1-CG2 3.8Å; V494-Y506 HydrophobicContact CG2-CE1 4.11Å
495	G	97.6	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-163.2	-162.9	0	0	0	0	0	113.2	T451 C458 S459 H461	T451-G495 WeakPolarHBondContact OG1-CA 3.44Å; C458-G495 WeakPolarHBondContact CB-O 3.46Å; S459-G495 PolarHBondContact N-O 3.14Å; S459-G495 PolarHBondContact O-N 2.93Å; H461-G495 PolarHBondContact CD2-O 2.87Å; H461-G495 PolarHBondContact NE2-O 3.42Å
496	D	97.4	Very high	97.9	Very high	36 Å²	36	22.6 Å²	22.6	19%	0.193	13%	0.128	C	C	.	.	S	Bend	trans	-92.8	-11.6	171.5	-74.5	-8.7	0	0	0	112.1	Q426 T451 A452 K453 H461	Q426-D496 PolarHBondContact NE2-O 2.93Å; T451-D496 PolarHBondContact OG1-N 2.72Å; A452-D496 WeakPolarHBondContact CA-OD2 3.25Å; K453-D496 WeakPolarHBondContact CB-OD2 3.42Å; K453-D496 WeakPolarHBondContact CG-OD2 3.42Å; K453-D496 PolarHBondContact N-OD2 3.06Å; H461-D496 VanDerWaalsContact CE1-C 3.44Å; H461-D496 PolarHBondContact CE1-O 3.09Å; H461-D496 VanDerWaalsContact CE1-O 3.28Å; H461-D496 VanDerWaalsContact NE2-C 3.34Å
497	A	97.4	Very high	98	Very high	9 Å²	9	23.1 Å²	23.1	7%	0.074	13%	0.131	C	C	.	.	S	Bend	trans	-152.6	169	-178.6	0	0	0	0	0	112	I425 H461 S499	I425-A497 CarbonylContact O-C 3.48Å; I425-A497 WeakPolarHBondContact O-CA 3.49Å; H461-A497 VanDerWaalsContact CE1-CA 3.42Å; H461-A497 WeakPolarHBondContact CE1-CA 3.44Å; H461-A497 PolarHBondContact CE1-N 2.72Å; H461-A497 VanDerWaalsContact CG-C 3.47Å; H461-A497 WeakPolarHBondContact ND1-CA 3.44Å; H461-A497 PolarHBondContact NE2-N 2.93Å; A497-S499 PolarHBondContact O-N 2.99Å
498	I	97.3	Very high	98	Very high	24 Å²	24	23 Å²	23	12%	0.123	13%	0.131	C	C	.	.			trans	-60.2	119.8	167.9	-65.8	179.8	0	0	0	109.2	I425 H461 I462 H463	I425-I498 HydrophobicContact CB-CB 4.47Å; I425-I498 HydrophobicContact CB-CD1 4.15Å; I425-I498 HydrophobicContact CB-CG1 4.44Å; I425-I498 HydrophobicContact CG2-CD1 3.59Å; I425-I498 HydrophobicContact CG2-CG1 4.3Å; I425-I498 PolarHBondContact O-N 3.03Å; H461-I498 HydrophobicContact CB-CG1 3.93Å; I462-I498 WeakPolarHBondContact O-CD1 3.36Å; H463-I498 WeakPolarHBondContact CE1-CG2 3.48Å
499	S	96.3	Very high	97.9	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.063	14%	0.14	C	C	.	.			trans	-87	147.1	-178.7	-163.7	0	0	0	0	111.9	D449 H463 S493 A497 M501	D449-S499 WeakPolarHBondContact OD2-CB 3.23Å; D449-S499 PolarHBondContact OD2-OG 2.78Å; H463-S499 PolarHBondContact CE1-O 2.8Å; H463-S499 VanDerWaalsContact CE1-O 3.25Å; S493-S499 PolarHBondContact OG-N 3.18Å; A497-S499 PolarHBondContact O-N 2.99Å; S499-M501 VanDerWaalsContact C-N 3.26Å; S499-M501 PolarHBondContact O-N 3.15Å
500	V	96.4	Very high	97.9	Very high	109 Å²	109	26.1 Å²	26.1	66%	0.661	15%	0.147	S	C	*	.	S	Bend	trans	-87	7.6	175.8	-59.7	0	0	0	0	113.5	L472	L472-V500 HydrophobicContact CD2-CB 4.16Å; L472-V500 HydrophobicContact CD2-CG1 4.27Å
501	M	96.6	Very high	97.8	Very high	123 Å²	123	26.1 Å²	26.1	61%	0.606	15%	0.147	S	C	*	.	S	Bend	trans	-72.1	165.9	174.9	-64.3	-61.9	96.2	0	0	111.5	S499 P503	S499-M501 VanDerWaalsContact C-N 3.26Å; S499-M501 PolarHBondContact O-N 3.15Å; M501-P503 WeakPolarHBondContact O-CD 3.42Å
502	V	97.4	Very high	97.8	Very high	90 Å²	90	26.1 Å²	26.1	55%	0.545	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-66.6	121.5	171.6	174.1	0	0	0	0	108.5	N473 P522	N473-V502 HydrophobicContact CB-CG1 4.48Å; N473-V502 HydrophobicContact CB-CG2 4.18Å; N473-V502 WeakPolarHBondContact ND2-CG1 3.45Å; V502-P522 VanDerWaalsContact CG1-CD 3.48Å; V502-P522 HydrophobicContact CG1-CG 3.98Å
503	P	98	Very high	97.8	Very high	5 Å²	5	28 Å²	28	3%	0.032	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-82.1	154	-170.3	32.6	-36.3	0	0	0	113	N473 V474 H491 G492 M501 G521 P522	N473-P503 WeakPolarHBondContact O-CD 3.33Å; V474-P503 HydrophobicContact CG2-CG 4.16Å; H491-P503 HydrophobicContact CB-CB 4.24Å; H491-P503 HydrophobicContact CB-CG 4.15Å; G492-P503 WeakPolarHBondContact O-CB 3.34Å; M501-P503 WeakPolarHBondContact O-CD 3.42Å; P503-G521 CarbonylContact O-C 3.55Å; P503-G521 WeakPolarHBondContact O-CA 3.37Å; P503-P522 WeakPolarHBondContact O-CD 3.29Å
504	D	98.4	Very high	97.8	Very high	35 Å²	35	29.4 Å²	29.4	19%	0.187	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	164.5	162.9	-69.5	-38.1	0	0	0	110.2	H491 G492 Y506 K517 E520 G521	H491-D504 WeakPolarHBondContact CA-O 3.29Å; G492-D504 PolarHBondContact N-O 3.1Å; D504-Y506 HydrophobicContact CB-CD2 4.49Å; D504-Y506 HydrophobicContact CB-CE2 3.7Å; D504-K517 HydrophobicContact CB-CD 4Å; D504-K517 HydrophobicContact CB-CG 4.02Å; D504-K517 IonicContact OD1-NZ 3.65Å; D504-K517 WeakPolarHBondContact OD2-CE 3.43Å; D504-K517 IonicContact OD2-NZ 2.72Å; D504-K517 PolarHBondContact OD2-NZ 2.92Å; D504-E520 VanDerWaalsContact OD1-CA 3.27Å; D504-E520 WeakPolarHBondContact OD1-CA 3.46Å; D504-G521 PolarHBondContact OD1-N 3.44Å
505	V	98.8	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.7	169.5	-173.8	0	0	0	0	110.1	I489 A490 M518 L519 H523 Y525	I489-V505 HydrophobicContact CG2-CG1 3.63Å; A490-V505 WeakPolarHBondContact O-CA 3.36Å; V505-M518 HydrophobicContact CB-CE 4.24Å; V505-M518 HydrophobicContact CG1-CB 4.31Å; V505-M518 HydrophobicContact CG1-CE 3.57Å; V505-M518 HydrophobicContact CG1-SD 4.25Å; V505-M518 WeakPolarHBondContact O-CB 3.48Å; V505-M518 PolarHBondContact O-N 2.78Å; V505-L519 HydrophobicContact CB-CB 4.4Å; V505-L519 PolarHBondContact N-O 3.09Å; V505-L519 PolarHBondContact O-N 3.5Å; V505-H523 HydrophobicContact CG2-CB 4.03Å; V505-Y525 HydrophobicContact CG1-CD1 3.88Å; V505-Y525 HydrophobicContact CG1-CE1 3.82Å; V505-Y525 HydrophobicContact CG2-CD1 4.36Å; V505-Y525 HydrophobicContact CG2-CE1 4.24Å
506	Y	98.8	Very high	97.8	Very high	10 Å²	10	33.3 Å²	33.3	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.6	176.8	-65	-89.8	0	0	0	110.2	P443 L460 A490 G492 V494 D504 T516 K517	P443-Y506 HydrophobicContact CG-CD1 3.77Å; P443-Y506 HydrophobicContact CG-CE1 3.81Å; L460-Y506 HydrophobicContact CD1-CD1 4.12Å; L460-Y506 HydrophobicContact CD1-CD2 3.93Å; L460-Y506 HydrophobicContact CD1-CE1 4.35Å; L460-Y506 HydrophobicContact CD1-CE2 4.18Å; L460-Y506 HydrophobicContact CD1-CG 3.91Å; L460-Y506 HydrophobicContact CD2-CG 4.47Å; A490-Y506 PolarHBondContact N-O 2.97Å; A490-Y506 PolarHBondContact O-N 3.12Å; G492-Y506 WeakPolarHBondContact O-CE2 3.49Å; V494-Y506 HydrophobicContact CG2-CE1 4.11Å; D504-Y506 HydrophobicContact CB-CD2 4.49Å; D504-Y506 HydrophobicContact CB-CE2 3.7Å; Y506-T516 WeakPolarHBondContact CA-O 3.43Å; Y506-K517 HydrophobicContact CD1-CB 4.14Å; Y506-K517 HydrophobicContact CD1-CG 4.41Å; Y506-K517 HydrophobicContact CE1-CB 3.81Å; Y506-K517 HydrophobicContact CE1-CG 3.95Å
507	I	98.7	Very high	97.8	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.1	175.1	-169.5	162.5	0	0	0	110.3	I487 V488 I489 W515 T516 M518 I534 E553	I487-I507 HydrophobicContact CG2-CD1 4.26Å; V488-I507 CarbonylContact O-C 3.46Å; V488-I507 VanDerWaalsContact O-CA 3.32Å; V488-I507 WeakPolarHBondContact O-CA 3.48Å; I489-I507 HydrophobicContact CG1-CD1 4.05Å; I489-I507 HydrophobicContact CG1-CG1 4.21Å; I507-W515 WeakPolarHBondContact O-CA 3.5Å; I507-T516 PolarHBondContact N-O 2.84Å; I507-T516 PolarHBondContact O-N 3.44Å; I507-M518 HydrophobicContact CB-CB 3.92Å; I507-M518 HydrophobicContact CB-CG 3.99Å; I507-M518 HydrophobicContact CB-SD 3.96Å; I507-M518 HydrophobicContact CD1-CG 4.45Å; I507-M518 HydrophobicContact CD1-SD 3.9Å; I507-M518 HydrophobicContact CG1-SD 4.44Å; I507-M518 HydrophobicContact CG2-CB 3.74Å; I507-M518 HydrophobicContact CG2-CG 3.87Å; I507-M518 HydrophobicContact CG2-SD 4.47Å; I507-I534 HydrophobicContact CD1-CD1 3.55Å; I507-E553 WeakPolarHBondContact CD1-O 3.38Å
508	S	98.7	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.6	160.9	179.8	0	0	0	0	108.6	I487 V488 D510 G512 S514	I487-S508 CarbonylContact C-O 3.59Å; I487-S508 WeakPolarHBondContact CA-O 3.26Å; V488-S508 PolarHBondContact N-O 2.85Å; V488-S508 PolarHBondContact O-N 3Å; S508-D510 PolarHBondContact OG-N 2.78Å; S508-D510 PolarHBondContact OG-OD1 3.02Å; S508-G512 WeakPolarHBondContact OG-CA 3.17Å; S508-G512 PolarHBondContact OG-N 2.04Å; S508-S514 WeakPolarHBondContact CB-O 3.04Å; S508-S514 PolarHBondContact OG-O 3.38Å
509	D	98	Very high	97.9	Very high	39 Å²	39	34.8 Å²	34.8	21%	0.209	19%	0.19	C	C	.	.	S	Bend	trans	-108.8	1	171.6	66.6	-46	0	0	0	112.4	G486 R644 K647	G486-D509 CarbonylContact O-C 3.57Å; G486-D509 WeakPolarHBondContact O-CA 3.24Å; D509-R644 PolarHBondContact O-NH1 3.07Å; D509-R644 PolarHBondContact O-NH2 2.81Å; D509-K647 WeakPolarHBondContact OD2-CE 3.32Å; D509-K647 IonicContact OD2-NZ 2.68Å; D509-K647 PolarHBondContact OD2-NZ 2.66Å
510	D	97.8	Very high	98	Very high	28 Å²	28	41.4 Å²	41.4	15%	0.15	22%	0.22	C	C	.	.	S	Bend	trans	-120.8	13.6	-174.6	65.9	19.8	0	0	0	113.9	L410 G486 S508 G512 Y513 S514 W620	L410-D510 WeakPolarHBondContact CD2-O 3.48Å; G486-D510 PolarHBondContact O-N 2.74Å; S508-D510 PolarHBondContact OG-N 2.78Å; S508-D510 PolarHBondContact OG-OD1 3.02Å; D510-G512 PolarHBondContact OD1-N 2.82Å; D510-G512 VanDerWaalsContact OD1-N 3.16Å; D510-Y513 WeakPolarHBondContact OD1-CA 3.42Å; D510-Y513 WeakPolarHBondContact OD1-CB 3.43Å; D510-Y513 PolarHBondContact OD1-N 2.95Å; D510-S514 PolarHBondContact OD1-N 2.89Å; D510-S514 VanDerWaalsContact OD2-CB 3.23Å; D510-S514 WeakPolarHBondContact OD2-CB 3.29Å; D510-S514 PolarHBondContact OD2-N 3.19Å; D510-S514 PolarHBondContact OD2-OG 2.88Å; D510-W620 HydrophobicContact CB-CZ2 4.13Å
511	G	97.6	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	79.7	20	-176.4	0	0	0	0	0	114	V413 F431 G486	V413-G511 WeakPolarHBondContact CG1-O 3.43Å; F431-G511 WeakPolarHBondContact CE1-O 3.19Å; G486-G511 PolarHBondContact O-N 3.41Å
512	G	97.9	Very high	98.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	101.7	8.4	170.2	0	0	0	0	0	115.8	S508 D510 W515	S508-G512 WeakPolarHBondContact OG-CA 3.17Å; S508-G512 PolarHBondContact OG-N 2.04Å; D510-G512 PolarHBondContact OD1-N 2.82Å; D510-G512 VanDerWaalsContact OD1-N 3.16Å; G512-W515 PolarHBondContact O-NE1 2.64Å
513	Y	97.9	Very high	98.2	Very high	41 Å²	41	27.5 Å²	27.5	16%	0.161	15%	0.146	C	C	.	.	S	Bend	trans	-70.7	-38.8	171.4	-75.3	-98.3	0	0	0	111.4	L410 F431 D510 H623 T625	L410-Y513 HydrophobicContact CD2-CE2 4.34Å; F431-Y513 AromaticContact CD1-CD2 3.66Å; F431-Y513 HydrophobicContact CD1-CD2 3.66Å; F431-Y513 HydrophobicContact CD1-CE1 4.12Å; F431-Y513 AromaticContact CD1-CE2 3.11Å; F431-Y513 HydrophobicContact CD1-CE2 3.11Å; F431-Y513 HydrophobicContact CD1-CG 4.33Å; F431-Y513 AromaticContact CD1-CZ 3.37Å; F431-Y513 HydrophobicContact CE1-CD1 4.21Å; F431-Y513 AromaticContact CE1-CD2 3.26Å; F431-Y513 HydrophobicContact CE1-CD2 3.26Å; F431-Y513 HydrophobicContact CE1-CE1 4.24Å; F431-Y513 AromaticContact CE1-CE2 3.29Å; F431-Y513 HydrophobicContact CE1-CE2 3.29Å; F431-Y513 AromaticContact CE1-CG 3.74Å; F431-Y513 HydrophobicContact CE1-CG 3.74Å; F431-Y513 AromaticContact CE1-CZ 3.79Å; F431-Y513 HydrophobicContact CG-CE1 4.3Å; F431-Y513 AromaticContact CG-CE2 3.99Å; F431-Y513 HydrophobicContact CG-CE2 3.99Å; F431-Y513 AromaticContact CG-CZ 3.75Å; F431-Y513 HydrophobicContact CZ-CD1 4.33Å; F431-Y513 HydrophobicContact CZ-CD2 4.05Å; F431-Y513 HydrophobicContact CZ-CE2 4.28Å; F431-Y513 HydrophobicContact CZ-CG 4.06Å; D510-Y513 WeakPolarHBondContact OD1-CA 3.42Å; D510-Y513 WeakPolarHBondContact OD1-CB 3.43Å; D510-Y513 PolarHBondContact OD1-N 2.95Å; Y513-H623 HydrophobicContact CE2-CB 4.32Å; Y513-H623 AromaticContact CE2-ND1 3.61Å; Y513-H623 AromaticContact CZ-ND1 3.72Å; Y513-H623 VanDerWaalsContact OH-CB 3.31Å; Y513-H623 WeakPolarHBondContact OH-CB 3.36Å; Y513-H623 PolarHBondContact OH-ND1 2.69Å; Y513-T625 HydrophobicContact CD1-CG2 3.95Å; Y513-T625 HydrophobicContact CE1-CG2 3.58Å
514	S	97.9	Very high	98.2	Very high	42 Å²	42	29.2 Å²	29.2	29%	0.294	15%	0.152	S	C	.	.	S	Bend	trans	-130.9	155.7	172.6	77	0	0	0	0	111.6	S508 D510	S508-S514 WeakPolarHBondContact CB-O 3.04Å; S508-S514 PolarHBondContact OG-O 3.38Å; D510-S514 PolarHBondContact OD1-N 2.89Å; D510-S514 VanDerWaalsContact OD2-CB 3.23Å; D510-S514 WeakPolarHBondContact OD2-CB 3.29Å; D510-S514 PolarHBondContact OD2-N 3.19Å; D510-S514 PolarHBondContact OD2-OG 2.88Å
515	W	98.5	Very high	98.2	Very high	9 Å²	9	27.5 Å²	27.5	3%	0.034	14%	0.143	C	C	.	.			trans	-141.3	146.6	-172.6	-68.4	87.1	0	0	0	110.6	I415 L440 P443 L460 I462 V488 I507 G512	I415-W515 HydrophobicContact CD1-CZ2 4.29Å; L440-W515 HydrophobicContact CD2-CZ2 3.79Å; P443-W515 VanDerWaalsContact CA-O 3.3Å; P443-W515 WeakPolarHBondContact CA-O 3.47Å; P443-W515 VanDerWaalsContact CB-O 3.25Å; P443-W515 WeakPolarHBondContact CB-O 3.49Å; P443-W515 HydrophobicContact CG-CB 4.11Å; P443-W515 WeakPolarHBondContact CG-O 3.45Å; L460-W515 HydrophobicContact CD2-CB 3.77Å; L460-W515 HydrophobicContact CD2-CD2 3.36Å; L460-W515 HydrophobicContact CD2-CE3 3.73Å; L460-W515 HydrophobicContact CD2-CG 3.37Å; L460-W515 HydrophobicContact CD2-CZ3 4.49Å; I462-W515 HydrophobicContact CD1-CH2 4.43Å; V488-W515 HydrophobicContact CB-CH2 3.87Å; V488-W515 HydrophobicContact CB-CZ3 4.37Å; V488-W515 HydrophobicContact CG1-CH2 3.79Å; I507-W515 WeakPolarHBondContact O-CA 3.5Å; G512-W515 PolarHBondContact O-NE1 2.64Å
516	T	98	Very high	98.2	Very high	79 Å²	79	28.2 Å²	28.2	49%	0.485	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147	174.5	-58.1	0	0	0	0	109.2	Y506 I507 M518	Y506-T516 WeakPolarHBondContact CA-O 3.43Å; I507-T516 PolarHBondContact N-O 2.84Å; I507-T516 PolarHBondContact O-N 3.44Å; T516-M518 PolarHBondContact O-N 2.88Å
517	K	98.2	Very high	98.2	Very high	70 Å²	70	27.8 Å²	27.8	30%	0.304	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	119.1	168.9	-164.5	-161	-65.4	-158.8	0	108.2	D504 Y506 E520	D504-K517 HydrophobicContact CB-CD 4Å; D504-K517 HydrophobicContact CB-CG 4.02Å; D504-K517 IonicContact OD1-NZ 3.65Å; D504-K517 WeakPolarHBondContact OD2-CE 3.43Å; D504-K517 IonicContact OD2-NZ 2.72Å; D504-K517 PolarHBondContact OD2-NZ 2.92Å; Y506-K517 HydrophobicContact CD1-CB 4.14Å; Y506-K517 HydrophobicContact CD1-CG 4.41Å; Y506-K517 HydrophobicContact CE1-CB 3.81Å; Y506-K517 HydrophobicContact CE1-CG 3.95Å; K517-E520 HydrophobicContact CD-CG 3.9Å; K517-E520 IonicContact NZ-OE1 3.35Å; K517-E520 PolarHBondContact NZ-OE1 2.98Å
518	M	97.6	Very high	98.2	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.059	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-48.1	-176.7	-166.3	-171.8	83.8	0	0	111.4	I489 V505 I507 T516 W557	I489-M518 HydrophobicContact CD1-SD 4.48Å; I489-M518 HydrophobicContact CG1-SD 4.49Å; I489-M518 HydrophobicContact CG2-CE 3.97Å; I489-M518 HydrophobicContact CG2-SD 3.78Å; V505-M518 HydrophobicContact CB-CE 4.24Å; V505-M518 HydrophobicContact CG1-CB 4.31Å; V505-M518 HydrophobicContact CG1-CE 3.57Å; V505-M518 HydrophobicContact CG1-SD 4.25Å; V505-M518 WeakPolarHBondContact O-CB 3.48Å; V505-M518 PolarHBondContact O-N 2.78Å; I507-M518 HydrophobicContact CB-CB 3.92Å; I507-M518 HydrophobicContact CB-CG 3.99Å; I507-M518 HydrophobicContact CB-SD 3.96Å; I507-M518 HydrophobicContact CD1-CG 4.45Å; I507-M518 HydrophobicContact CD1-SD 3.9Å; I507-M518 HydrophobicContact CG1-SD 4.44Å; I507-M518 HydrophobicContact CG2-CB 3.74Å; I507-M518 HydrophobicContact CG2-CG 3.87Å; I507-M518 HydrophobicContact CG2-SD 4.47Å; T516-M518 PolarHBondContact O-N 2.88Å; M518-W557 HydrophobicContact CE-CH2 3.94Å; M518-W557 HydrophobicContact CE-CZ2 3.67Å; M518-W557 HydrophobicContact CG-CZ2 3.62Å; M518-W557 PolarHBondContact O-NE1 2.87Å; M518-W557 HydrophobicContact SD-CH2 4.33Å; M518-W557 HydrophobicContact SD-CZ2 3.68Å
519	L	98.1	Very high	98.1	Very high	19 Å²	19	27.3 Å²	27.3	10%	0.099	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.3	-179.2	-68	173.9	0	0	0	109.8	V505 H523 A536 K548 W557	V505-L519 HydrophobicContact CB-CB 4.4Å; V505-L519 PolarHBondContact N-O 3.09Å; V505-L519 PolarHBondContact O-N 3.5Å; L519-H523 HydrophobicContact CD1-CB 4.31Å; L519-A536 HydrophobicContact CD1-CB 3.47Å; L519-A536 VanDerWaalsContact CD1-CB 3.47Å; L519-K548 HydrophobicContact CD1-CD 4.43Å; L519-K548 HydrophobicContact CD2-CD 4.31Å; L519-W557 HydrophobicContact CD1-CH2 4.33Å; L519-W557 HydrophobicContact CD1-CZ2 4.35Å; L519-W557 HydrophobicContact CD1-CZ3 4.46Å; L519-W557 HydrophobicContact CD2-CD2 3.91Å; L519-W557 HydrophobicContact CD2-CE3 4.48Å; L519-W557 HydrophobicContact CD2-CG 3.94Å; L519-W557 HydrophobicContact CG-CD2 4.48Å; L519-W557 HydrophobicContact CG-CZ2 4.4Å
520	E	97.8	Very high	98.1	Very high	147 Å²	147	25.8 Å²	25.8	69%	0.687	14%	0.136	S	C	*	.	S	Bend	trans	-82.1	133.1	173.9	-52.4	-154.7	120.3	0	0	111.1	D504 K517 H523	D504-E520 VanDerWaalsContact OD1-CA 3.27Å; D504-E520 WeakPolarHBondContact OD1-CA 3.46Å; K517-E520 HydrophobicContact CD-CG 3.9Å; K517-E520 IonicContact NZ-OE1 3.35Å; K517-E520 PolarHBondContact NZ-OE1 2.98Å; E520-H523 PolarHBondContact O-CE1 3.17Å; E520-H523 VanDerWaalsContact O-CE1 3.3Å
521	G	97.8	Very high	98.1	Very high	20 Å²	20	24.9 Å²	24.9	21%	0.206	13%	0.133	C	C	.	.	S	Bend	trans	72.6	169.7	-173.6	0	0	0	0	0	115	P503 D504 H523	P503-G521 CarbonylContact O-C 3.55Å; P503-G521 WeakPolarHBondContact O-CA 3.37Å; D504-G521 PolarHBondContact OD1-N 3.44Å; G521-H523 PolarHBondContact O-ND1 2.88Å
522	P	98.4	Very high	98	Very high	9 Å²	9	25 Å²	25	6%	0.058	13%	0.134	C	C	.	.			trans	-73.5	139.9	-172.1	27.5	-34.7	0	0	0	112.7	N473 P475 V502 P503 H539	N473-P522 WeakPolarHBondContact O-CB 3.43Å; P475-P522 HydrophobicContact CG-CB 3.94Å; V502-P522 VanDerWaalsContact CG1-CD 3.48Å; V502-P522 HydrophobicContact CG1-CG 3.98Å; P503-P522 WeakPolarHBondContact O-CD 3.29Å; P522-H539 HydrophobicContact CB-CB 4.18Å; P522-H539 HydrophobicContact CG-CB 4.2Å; P522-H539 WeakPolarHBondContact O-CB 3.29Å; P522-H539 PolarHBondContact O-N 3.26Å
523	H	98.7	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.8	-179.5	-70.8	70.6	0	0	0	111.7	H491 V505 L519 E520 G521 Y525 A536 I537 E538 K548	H491-H523 PolarHBondContact CE1-O 3.42Å; H491-H523 PolarHBondContact NE2-N 3.09Å; H491-H523 PolarHBondContact NE2-O 2.96Å; V505-H523 HydrophobicContact CG2-CB 4.03Å; L519-H523 HydrophobicContact CD1-CB 4.31Å; E520-H523 PolarHBondContact O-CE1 3.17Å; E520-H523 VanDerWaalsContact O-CE1 3.3Å; G521-H523 PolarHBondContact O-ND1 2.88Å; H523-Y525 WeakPolarHBondContact O-CD1 3.48Å; H523-A536 HydrophobicContact CB-CB 4.32Å; H523-I537 CarbonylContact C-O 3.6Å; H523-I537 WeakPolarHBondContact CA-O 3.02Å; H523-I537 WeakPolarHBondContact CB-O 3.03Å; H523-I537 PolarHBondContact CD2-O 3.3Å; H523-E538 VanDerWaalsContact CD2-CA 3.45Å; H523-E538 WeakPolarHBondContact CD2-CA 3.27Å; H523-E538 PolarHBondContact CD2-N 2.97Å; H523-K548 PolarHBondContact NE2-NZ 2.8Å
524	Y	98.7	Very high	98.1	Very high	41 Å²	41	23.1 Å²	23.1	16%	0.161	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.7	159.1	-60.4	-96.6	0	0	0	108.3	P475 M476 A536 I537 H539 F569	P475-Y524 HydrophobicContact CB-CD1 3.98Å; P475-Y524 HydrophobicContact CB-CD2 3.99Å; P475-Y524 HydrophobicContact CB-CE1 3.56Å; P475-Y524 HydrophobicContact CB-CE2 3.58Å; P475-Y524 HydrophobicContact CB-CG 4.18Å; P475-Y524 HydrophobicContact CG-CE2 4.45Å; P475-Y524 WeakPolarHBondContact O-CE1 3.44Å; M476-Y524 HydrophobicContact CG-CD1 3.68Å; M476-Y524 HydrophobicContact CG-CE1 4.34Å; M476-Y524 HydrophobicContact CG-CG 4.4Å; M476-Y524 VanDerWaalsContact SD-CA 3.55Å; M476-Y524 HydrophobicContact SD-CD1 3.86Å; M476-Y524 HydrophobicContact SD-CG 4.27Å; Y524-A536 CarbonylContact O-C 3.6Å; Y524-A536 WeakPolarHBondContact O-CA 3.49Å; Y524-I537 PolarHBondContact N-O 2.96Å; Y524-I537 PolarHBondContact O-N 3.15Å; Y524-H539 HydrophobicContact CD2-CB 4.23Å; Y524-H539 HydrophobicContact CE2-CB 3.83Å; Y524-H539 AromaticContact CE2-CG 3.98Å; Y524-H539 AromaticContact CE2-ND1 3.36Å; Y524-H539 WeakPolarHBondContact CE2-ND1 3.46Å; Y524-H539 AromaticContact CZ-ND1 3.63Å; Y524-H539 PolarHBondContact OH-ND1 2.86Å; Y524-H539 VanDerWaalsContact OH-ND1 3.15Å; Y524-F569 AromaticContact CD1-CE1 3.81Å; Y524-F569 HydrophobicContact CD1-CE1 3.81Å; Y524-F569 HydrophobicContact CD1-CZ 4.27Å; Y524-F569 AromaticContact CD2-CD1 3.81Å; Y524-F569 HydrophobicContact CD2-CD1 3.81Å; Y524-F569 AromaticContact CD2-CE1 3.19Å; Y524-F569 HydrophobicContact CD2-CE1 3.19Å; Y524-F569 AromaticContact CD2-CZ 3.91Å; Y524-F569 HydrophobicContact CD2-CZ 3.91Å; Y524-F569 AromaticContact CE1-CE1 3.93Å; Y524-F569 HydrophobicContact CE1-CE1 3.93Å; Y524-F569 AromaticContact CE2-CD1 3.63Å; Y524-F569 HydrophobicContact CE2-CD1 3.63Å; Y524-F569 AromaticContact CE2-CE1 3.31Å; Y524-F569 HydrophobicContact CE2-CE1 3.31Å; Y524-F569 HydrophobicContact CE2-CZ 4.42Å; Y524-F569 HydrophobicContact CG-CD1 4.48Å; Y524-F569 AromaticContact CG-CE1 3.45Å; Y524-F569 HydrophobicContact CG-CE1 3.45Å; Y524-F569 VanDerWaalsContact CG-CE1 3.45Å; Y524-F569 AromaticContact CG-CZ 3.83Å; Y524-F569 HydrophobicContact CG-CZ 3.83Å; Y524-F569 AromaticContact CZ-CE1 3.7Å
525	Y	98.5	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.1	-177.1	38.5	-108.7	0	0	0	112.5	M476 A477 L479 I489 H491 V505 H523 V535	M476-Y525 HydrophobicContact CB-CE1 4.46Å; M476-Y525 HydrophobicContact CB-CE2 4.05Å; M476-Y525 HydrophobicContact CE-CD2 3.96Å; M476-Y525 HydrophobicContact CE-CE2 3.99Å; M476-Y525 WeakPolarHBondContact CE-O 3.37Å; M476-Y525 PolarHBondContact O-OH 3.2Å; M476-Y525 HydrophobicContact SD-CD2 4.26Å; M476-Y525 HydrophobicContact SD-CE2 4.43Å; M476-Y525 PolarHBondContact SD-N 3.26Å; A477-Y525 PolarHBondContact O-OH 3.02Å; L479-Y525 HydrophobicContact CB-CD2 3.91Å; L479-Y525 HydrophobicContact CB-CE2 3.7Å; L479-Y525 HydrophobicContact CD2-CD2 4.02Å; I489-Y525 HydrophobicContact CB-CD2 4.16Å; I489-Y525 HydrophobicContact CB-CE2 4.28Å; I489-Y525 HydrophobicContact CB-CG 4.4Å; I489-Y525 HydrophobicContact CG2-CD1 3.62Å; I489-Y525 HydrophobicContact CG2-CD2 3.86Å; I489-Y525 HydrophobicContact CG2-CE1 3.85Å; I489-Y525 HydrophobicContact CG2-CE2 4.1Å; I489-Y525 HydrophobicContact CG2-CG 3.63Å; H491-Y525 AromaticContact CE1-CE1 3.42Å; H491-Y525 VanDerWaalsContact CE1-CE1 3.42Å; H491-Y525 WeakPolarHBondContact CE1-CE1 3.18Å; H491-Y525 AromaticContact CE1-CZ 3.98Å; H491-Y525 AromaticContact ND1-CE1 3.76Å; H491-Y525 AromaticContact ND1-CZ 3.98Å; H491-Y525 PolarHBondContact ND1-OH 3.09Å; V505-Y525 HydrophobicContact CG1-CD1 3.88Å; V505-Y525 HydrophobicContact CG1-CE1 3.82Å; V505-Y525 HydrophobicContact CG2-CD1 4.36Å; V505-Y525 HydrophobicContact CG2-CE1 4.24Å; H523-Y525 WeakPolarHBondContact O-CD1 3.48Å; Y525-V535 CarbonylContact C-O 3.39Å; Y525-V535 VanDerWaalsContact CA-O 3.25Å; Y525-V535 WeakPolarHBondContact CA-O 3.46Å
526	T	98.4	Very high	98.1	Very high	14 Å²	14	20.7 Å²	20.7	9%	0.086	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	140.2	177.3	-59.3	0	0	0	0	110.4	L528 V535 L572 S574 I583	T526-L528 HydrophobicContact CG2-CD2 4.14Å; T526-V535 PolarHBondContact N-O 3.13Å; T526-V535 PolarHBondContact O-N 2.54Å; T526-L572 VanDerWaalsContact OG1-CD1 3.32Å; T526-L572 WeakPolarHBondContact OG1-CD1 3.5Å; T526-S574 WeakPolarHBondContact CG2-OG 3.28Å; T526-I583 HydrophobicContact CG2-CD1 3.86Å
527	I	98.7	Very high	98.2	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.4	174.7	-60	169.8	0	0	0	108.3	L479 E481 A484 I487 I489 A578	L479-I527 HydrophobicContact CD2-CD1 4.18Å; L479-I527 HydrophobicContact CD2-CG1 3.97Å; L479-I527 HydrophobicContact CG-CD1 4.16Å; E481-I527 HydrophobicContact CB-CD1 4.45Å; E481-I527 HydrophobicContact CG-CD1 4.34Å; A484-I527 HydrophobicContact CB-CD1 4.34Å; A484-I527 HydrophobicContact CB-CG2 3.89Å; I487-I527 HydrophobicContact CG2-CD1 3.92Å; I489-I527 HydrophobicContact CD1-CD1 4.19Å; I489-I527 HydrophobicContact CD1-CG1 3.88Å; I527-A578 HydrophobicContact CB-CB 4.39Å; I527-A578 HydrophobicContact CG2-CB 4.28Å; I527-A578 WeakPolarHBondContact O-CB 3.41Å
528	L	98.5	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.5	178.6	-61.6	177.3	0	0	0	110.2	T526 S530 G531 G532 I533 V535 A578 S580 I583 F604	T526-L528 HydrophobicContact CG2-CD2 4.14Å; L528-S530 VanDerWaalsContact C-N 3.27Å; L528-S530 PolarHBondContact O-N 3.08Å; L528-S530 VanDerWaalsContact O-N 3.17Å; L528-G531 PolarHBondContact O-N 2.89Å; L528-G532 PolarHBondContact O-N 2.83Å; L528-I533 HydrophobicContact CB-CB 4.15Å; L528-I533 HydrophobicContact CD1-CG2 4.31Å; L528-I533 PolarHBondContact N-O 3.35Å; L528-I533 PolarHBondContact O-N 2.78Å; L528-V535 HydrophobicContact CD1-CG2 3.67Å; L528-V535 HydrophobicContact CG-CG2 4.43Å; L528-A578 CarbonylContact C-O 3.42Å; L528-S580 WeakPolarHBondContact CB-O 3.33Å; L528-S580 WeakPolarHBondContact CD2-O 3.2Å; L528-I583 HydrophobicContact CD1-CB 4.17Å; L528-I583 HydrophobicContact CD1-CG2 4.39Å; L528-F604 HydrophobicContact CD1-CD2 4.25Å; L528-F604 HydrophobicContact CD1-CE2 4.43Å
529	D	98.1	Very high	98.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	43.2	48.2	179.1	-165.5	63.7	0	0	0	114	G531 G532 A578 S580 M581 Q652 N653 G654	D529-G531 PolarHBondContact O-N 3.35Å; D529-G532 PolarHBondContact O-N 3.44Å; D529-A578 PolarHBondContact N-O 3.35Å; D529-S580 PolarHBondContact N-O 2.8Å; D529-M581 HydrophobicContact CB-CG 4.01Å; D529-Q652 WeakPolarHBondContact OD1-CG 3.26Å; D529-Q652 PolarHBondContact OD1-NE2 3.09Å; D529-Q652 WeakPolarHBondContact OD2-CA 3.48Å; D529-Q652 WeakPolarHBondContact OD2-CG 3.36Å; D529-N653 PolarHBondContact O-ND2 3.01Å; D529-N653 PolarHBondContact OD2-N 2.9Å; D529-G654 PolarHBondContact OD1-N 2.94Å
530	S	97.9	Very high	97.9	Very high	7 Å²	7	21.8 Å²	21.8	5%	0.049	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	56.2	29	-179.6	-48.8	0	0	0	0	115.3	N483 A484 L528 A578 Y657	N483-S530 WeakPolarHBondContact ND2-CB 3.22Å; N483-S530 PolarHBondContact ND2-OG 2.85Å; A484-S530 WeakPolarHBondContact CA-O 3.4Å; L528-S530 VanDerWaalsContact C-N 3.27Å; L528-S530 PolarHBondContact O-N 3.08Å; L528-S530 VanDerWaalsContact O-N 3.17Å; S530-A578 PolarHBondContact N-O 3.02Å; S530-Y657 VanDerWaalsContact CB-CD1 3.49Å; S530-Y657 WeakPolarHBondContact OG-CD1 3.19Å
531	G	96.8	Very high	97.7	Very high	8 Å²	8	20 Å²	20	8%	0.082	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	105.4	-7.2	-176.7	0	0	0	0	0	114.3	L528 D529 I533	L528-G531 PolarHBondContact O-N 2.89Å; D529-G531 PolarHBondContact O-N 3.35Å; G531-I533 PolarHBondContact O-N 3Å
532	G	96.5	Very high	97.5	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.031	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.9	176.9	0	0	0	0	0	113.9	L528 D529 T551	L528-G532 PolarHBondContact O-N 2.83Å; D529-G532 PolarHBondContact O-N 3.44Å; G532-T551 WeakPolarHBondContact O-CA 3.28Å
533	I	98.3	Very high	97.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.6	169.8	-66.6	147.1	0	0	0	110	L528 G531 V535 S550 T551 F604 L608	L528-I533 HydrophobicContact CB-CB 4.15Å; L528-I533 HydrophobicContact CD1-CG2 4.31Å; L528-I533 PolarHBondContact N-O 3.35Å; L528-I533 PolarHBondContact O-N 2.78Å; G531-I533 PolarHBondContact O-N 3Å; I533-V535 HydrophobicContact CG2-CG2 3.87Å; I533-S550 VanDerWaalsContact CA-O 3.32Å; I533-S550 WeakPolarHBondContact CA-O 3.31Å; I533-T551 HydrophobicContact CG1-CG2 4.16Å; I533-F604 HydrophobicContact CD1-CB 3.42Å; I533-F604 VanDerWaalsContact CD1-CB 3.42Å; I533-F604 HydrophobicContact CD1-CD1 3.88Å; I533-F604 HydrophobicContact CD1-CG 3.78Å; I533-F604 HydrophobicContact CG1-CD1 4.49Å; I533-F604 HydrophobicContact CG2-CD1 4.4Å; I533-F604 HydrophobicContact CG2-CE1 4.4Å; I533-L608 HydrophobicContact CD1-CD1 3.51Å; I533-L608 HydrophobicContact CD1-CG 3.92Å; I533-L608 HydrophobicContact CG1-CD1 3.85Å; I533-L608 HydrophobicContact CG1-CG 4.3Å
534	I	98.7	Very high	97.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.9	162.5	-50.4	-178.1	0	0	0	108.6	I487 I489 I507 F549 S550 W557	I487-I534 HydrophobicContact CG2-CD1 4.3Å; I489-I534 HydrophobicContact CD1-CD1 4.2Å; I489-I534 HydrophobicContact CD1-CG2 3.59Å; I507-I534 HydrophobicContact CD1-CD1 3.55Å; I534-F549 CarbonylContact O-C 3.59Å; I534-F549 WeakPolarHBondContact O-CA 3.39Å; I534-S550 PolarHBondContact N-O 3.01Å; I534-S550 PolarHBondContact O-N 3.13Å; I534-W557 HydrophobicContact CB-CH2 4.15Å; I534-W557 HydrophobicContact CG2-CH2 3.83Å; I534-W557 HydrophobicContact CG2-CZ2 4.42Å
535	V	98.6	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.8	178.7	169	0	0	0	0	110.2	Y525 T526 L528 I533 I547 L572 I583 F604	Y525-V535 CarbonylContact C-O 3.39Å; Y525-V535 VanDerWaalsContact CA-O 3.25Å; Y525-V535 WeakPolarHBondContact CA-O 3.46Å; T526-V535 PolarHBondContact N-O 3.13Å; T526-V535 PolarHBondContact O-N 2.54Å; L528-V535 HydrophobicContact CD1-CG2 3.67Å; L528-V535 HydrophobicContact CG-CG2 4.43Å; I533-V535 HydrophobicContact CG2-CG2 3.87Å; V535-I547 HydrophobicContact CG1-CD1 3.37Å; V535-I547 HydrophobicContact CG1-CG1 3.81Å; V535-L572 HydrophobicContact CG1-CD1 4.47Å; V535-I583 HydrophobicContact CG1-CG1 4.47Å; V535-F604 HydrophobicContact CG2-CE2 4.15Å; V535-F604 HydrophobicContact CG2-CZ 4.08Å
536	A	98.7	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.5	170.2	0	0	0	0	0	114.2	L519 H523 Y524 K548 W557	L519-A536 HydrophobicContact CD1-CB 3.47Å; L519-A536 VanDerWaalsContact CD1-CB 3.47Å; H523-A536 HydrophobicContact CB-CB 4.32Å; Y524-A536 CarbonylContact O-C 3.6Å; Y524-A536 WeakPolarHBondContact O-CA 3.49Å; A536-K548 HydrophobicContact CB-CB 4.31Å; A536-K548 PolarHBondContact N-O 3.27Å; A536-K548 PolarHBondContact O-N 2.89Å; A536-W557 HydrophobicContact CB-CH2 4.02Å; A536-W557 HydrophobicContact CB-CZ3 3.84Å
537	I	98.6	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.3	170.7	-61	-71.2	0	0	0	108.6	H523 Y524 I544 I547 F562 F569 L572 I585	H523-I537 CarbonylContact C-O 3.6Å; H523-I537 WeakPolarHBondContact CA-O 3.02Å; H523-I537 WeakPolarHBondContact CB-O 3.03Å; H523-I537 PolarHBondContact CD2-O 3.3Å; Y524-I537 PolarHBondContact N-O 2.96Å; Y524-I537 PolarHBondContact O-N 3.15Å; I537-I544 HydrophobicContact CG2-CD1 3.86Å; I537-I544 HydrophobicContact CG2-CG1 4.22Å; I537-I547 HydrophobicContact CD1-CB 3.71Å; I537-I547 HydrophobicContact CD1-CD1 4.11Å; I537-I547 HydrophobicContact CD1-CG1 3.81Å; I537-F562 HydrophobicContact CD1-CE1 4.45Å; I537-F569 HydrophobicContact CB-CD2 4.48Å; I537-F569 HydrophobicContact CB-CE2 4.12Å; I537-F569 HydrophobicContact CB-CZ 4.31Å; I537-F569 HydrophobicContact CG1-CD2 4.45Å; I537-F569 HydrophobicContact CG1-CE2 3.93Å; I537-F569 HydrophobicContact CG1-CZ 4.44Å; I537-F569 HydrophobicContact CG2-CD1 4.3Å; I537-F569 HydrophobicContact CG2-CD2 3.72Å; I537-F569 HydrophobicContact CG2-CE1 4.46Å; I537-F569 HydrophobicContact CG2-CE2 3.86Å; I537-F569 HydrophobicContact CG2-CG 3.93Å; I537-F569 HydrophobicContact CG2-CZ 4.22Å; I537-L572 HydrophobicContact CG1-CD1 4.33Å; I537-L572 HydrophobicContact CG1-CD2 3.86Å; I537-L572 HydrophobicContact CG1-CG 4.32Å; I537-I585 HydrophobicContact CD1-CD1 4.06Å; I537-I585 HydrophobicContact CD1-CG1 4.41Å; I537-I585 HydrophobicContact CD1-CG2 4.35Å
538	E	98.1	Very high	97.2	Very high	90 Å²	90	33.5 Å²	33.5	42%	0.421	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.4	178.2	-169.9	172.3	124.9	0	0	111.5	H523 S540 K548	H523-E538 VanDerWaalsContact CD2-CA 3.45Å; H523-E538 WeakPolarHBondContact CD2-CA 3.27Å; H523-E538 PolarHBondContact CD2-N 2.97Å; E538-S540 PolarHBondContact O-N 2.97Å; E538-K548 IonicContact OE2-NZ 3.27Å; E538-K548 PolarHBondContact OE2-NZ 2.86Å
539	H	97	Very high	97.1	Very high	63 Å²	63	33.5 Å²	33.5	29%	0.292	18%	0.177	S	C	.	.			trans	-79	109.5	173.9	177	87.6	0	0	0	109.6	N473 P475 P522 Y524	N473-H539 PolarHBondContact OD1-CD2 3.32Å; N473-H539 VanDerWaalsContact OD1-CD2 3.27Å; N473-H539 PolarHBondContact OD1-NE2 2.91Å; P475-H539 HydrophobicContact CB-CB 4.06Å; P475-H539 HydrophobicContact CG-CB 3.85Å; P522-H539 HydrophobicContact CB-CB 4.18Å; P522-H539 HydrophobicContact CG-CB 4.2Å; P522-H539 WeakPolarHBondContact O-CB 3.29Å; P522-H539 PolarHBondContact O-N 3.26Å; Y524-H539 HydrophobicContact CD2-CB 4.23Å; Y524-H539 HydrophobicContact CE2-CB 3.83Å; Y524-H539 AromaticContact CE2-CG 3.98Å; Y524-H539 AromaticContact CE2-ND1 3.36Å; Y524-H539 WeakPolarHBondContact CE2-ND1 3.46Å; Y524-H539 AromaticContact CZ-ND1 3.63Å; Y524-H539 PolarHBondContact OH-ND1 2.86Å; Y524-H539 VanDerWaalsContact OH-ND1 3.15Å
540	S	93.9	Very high	97.1	Very high	50 Å²	50	33.6 Å²	33.6	35%	0.35	18%	0.178	S	C	.	.			trans	-134.4	147.6	-176.5	-168.3	0	0	0	0	111.6	E538 R542	E538-S540 PolarHBondContact O-N 2.97Å; S540-R542 PolarHBondContact O-N 2.9Å; S540-R542 PolarHBondContact OG-N 2.94Å
541	S	92.2	Very high	97.1	Very high	111 Å²	111	34.1 Å²	34.1	78%	0.776	18%	0.18	S	C	*	.	S	Bend	trans	-79.2	1.4	170.9	57.2	0	0	0	0	113.4
542	R	93.8	Very high	97.1	Very high	191 Å²	191	34.9 Å²	34.9	72%	0.721	18%	0.183	S	C	*	.	S	Bend	trans	-113.9	156.4	175.9	-63.1	-174.5	179.3	-147.9	-1.1	110.6	S540	S540-R542 PolarHBondContact O-N 2.9Å; S540-R542 PolarHBondContact OG-N 2.94Å
543	P	95.1	Very high	97.1	Very high	33 Å²	33	35.9 Å²	35.9	21%	0.214	19%	0.187	C	C	.	.			trans	-55.2	138.3	172.3	-28.5	38.1	0	0	0	113	P566 I567 Y568	P543-P566 HydrophobicContact CB-CB 3.51Å; P543-I567 CarbonylContact C-O 3.57Å; P543-I567 VanDerWaalsContact CA-O 3.23Å; P543-I567 WeakPolarHBondContact CA-O 3.21Å; P543-Y568 HydrophobicContact CG-CD1 4.17Å; P543-Y568 HydrophobicContact CG-CD2 3.93Å; P543-Y568 HydrophobicContact CG-CE1 3.86Å; P543-Y568 HydrophobicContact CG-CE2 3.6Å; P543-Y568 HydrophobicContact CG-CG 4.21Å
544	I	96.8	Very high	96.9	Very high	20 Å²	20	36.1 Å²	36.1	10%	0.103	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-118.4	155.9	177.6	62.4	78.1	0	0	0	111.4	I537 F562 P566 I567 F569	I537-I544 HydrophobicContact CG2-CD1 3.86Å; I537-I544 HydrophobicContact CG2-CG1 4.22Å; I544-F562 HydrophobicContact CD1-CE1 3.88Å; I544-F562 HydrophobicContact CD1-CZ 3.83Å; I544-P566 WeakPolarHBondContact O-CA 3.36Å; I544-I567 PolarHBondContact N-O 2.85Å; I544-I567 PolarHBondContact O-N 3.06Å; I544-F569 HydrophobicContact CD1-CB 4.05Å; I544-F569 HydrophobicContact CD1-CD2 4.44Å; I544-F569 HydrophobicContact CG1-CB 3.85Å
545	N	97.6	Very high	96.7	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.241	22%	0.215	C	C	.	.			trans	-142.6	13.1	176.2	69.7	-29.4	0	0	0	113.8	T561 F562 T563 P566	N545-T561 WeakPolarHBondContact ND2-CG2 3.48Å; N545-T561 CarbonylContact O-C 3.59Å; N545-T561 WeakPolarHBondContact O-CA 3.4Å; N545-F562 VanDerWaalsContact C-CD1 3.49Å; N545-F562 VanDerWaalsContact O-CD1 3.29Å; N545-F562 WeakPolarHBondContact O-CD1 3.47Å; N545-F562 PolarHBondContact O-N 2.82Å; N545-T563 HydrophobicContact CB-CG2 3.59Å; N545-T563 WeakPolarHBondContact CB-O 2.99Å; N545-T563 PolarHBondContact ND2-O 2.89Å; N545-P566 HydrophobicContact CB-CB 4.24Å; N545-P566 HydrophobicContact CB-CG 4.15Å
546	V	98.2	Very high	96.6	Very high	45 Å²	45	43 Å²	43	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.7	-178.1	177.6	0	0	0	0	110	T559 Y560	V546-T559 HydrophobicContact CG1-CG2 4.1Å; V546-Y560 WeakPolarHBondContact CA-O 3.47Å
547	I	98.4	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.4	168.7	-178.8	162.1	0	0	0	109.2	V535 I537 Y560 F562 I583 I585 I602	V535-I547 HydrophobicContact CG1-CD1 3.37Å; V535-I547 HydrophobicContact CG1-CG1 3.81Å; I537-I547 HydrophobicContact CD1-CB 3.71Å; I537-I547 HydrophobicContact CD1-CD1 4.11Å; I537-I547 HydrophobicContact CD1-CG1 3.81Å; I547-Y560 HydrophobicContact CG2-CD1 3.66Å; I547-Y560 HydrophobicContact CG2-CG 4.33Å; I547-Y560 WeakPolarHBondContact CG2-O 3.46Å; I547-Y560 PolarHBondContact N-O 2.79Å; I547-Y560 PolarHBondContact O-N 2.91Å; I547-F562 HydrophobicContact CB-CD1 4.15Å; I547-F562 HydrophobicContact CG2-CB 4.44Å; I547-F562 HydrophobicContact CG2-CD1 4.16Å; I547-I583 HydrophobicContact CD1-CG2 4.44Å; I547-I585 HydrophobicContact CB-CD1 4.24Å; I547-I585 HydrophobicContact CD1-CD1 3.84Å; I547-I585 HydrophobicContact CD1-CG1 4.32Å; I547-I602 HydrophobicContact CD1-CD1 4.2Å; I547-I602 HydrophobicContact CG2-CD1 3.96Å
548	K	98.5	Very high	96.3	Very high	35 Å²	35	46.5 Å²	46.5	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.3	175.8	-54	-179.8	-175.4	171	0	107.6	L519 H523 A536 E538 W557 Q558 T559	L519-K548 HydrophobicContact CD1-CD 4.43Å; L519-K548 HydrophobicContact CD2-CD 4.31Å; H523-K548 PolarHBondContact NE2-NZ 2.8Å; A536-K548 HydrophobicContact CB-CB 4.31Å; A536-K548 PolarHBondContact N-O 3.27Å; A536-K548 PolarHBondContact O-N 2.89Å; E538-K548 IonicContact OE2-NZ 3.27Å; E538-K548 PolarHBondContact OE2-NZ 2.86Å; K548-W557 HydrophobicContact CB-CE3 3.75Å; K548-W557 HydrophobicContact CB-CZ3 4.12Å; K548-Q558 CarbonylContact C-O 3.34Å; K548-Q558 WeakPolarHBondContact CA-O 3.32Å; K548-T559 HydrophobicContact CG-CG2 4.2Å
549	F	98.2	Very high	96.3	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.4	173.8	72.8	-86.6	0	0	0	112.4	V89 F92 L96 I534 T551 W557 Q558 F604 I607	V89-F549 HydrophobicContact CG2-CE2 4.5Å; F92-F549 HydrophobicContact CB-CZ 4.08Å; F92-F549 AromaticContact CD2-CE1 3.77Å; F92-F549 HydrophobicContact CD2-CE1 3.77Å; F92-F549 AromaticContact CD2-CZ 3.81Å; F92-F549 HydrophobicContact CD2-CZ 3.81Å; F92-F549 HydrophobicContact CE2-CE1 4.24Å; F92-F549 HydrophobicContact CG-CZ 4.12Å; L96-F549 HydrophobicContact CD1-CD1 4.41Å; L96-F549 HydrophobicContact CD1-CE1 3.88Å; L96-F549 HydrophobicContact CD1-CZ 4.35Å; I534-F549 CarbonylContact O-C 3.59Å; I534-F549 WeakPolarHBondContact O-CA 3.39Å; F549-T551 HydrophobicContact CD2-CG2 4.38Å; F549-W557 VanDerWaalsContact C-CE3 3.46Å; F549-W557 WeakPolarHBondContact O-CA 3.41Å; F549-Q558 HydrophobicContact CD1-CB 4.2Å; F549-Q558 WeakPolarHBondContact CD1-O 3.28Å; F549-Q558 HydrophobicContact CE1-CB 3.65Å; F549-Q558 HydrophobicContact CE2-CB 4.14Å; F549-Q558 HydrophobicContact CZ-CB 3.62Å; F549-Q558 HydrophobicContact CZ-CG 4.36Å; F549-Q558 PolarHBondContact N-O 2.73Å; F549-Q558 PolarHBondContact O-N 2.7Å; F549-F604 HydrophobicContact CB-CE1 3.89Å; F549-F604 HydrophobicContact CB-CZ 4.17Å; F549-F604 HydrophobicContact CD1-CE1 4.22Å; F549-F604 HydrophobicContact CD2-CE1 4.06Å; F549-F604 AromaticContact CG-CE1 3.8Å; F549-F604 HydrophobicContact CG-CE1 3.8Å; F549-F604 HydrophobicContact CG-CZ 4.44Å; F549-I607 HydrophobicContact CE2-CG2 4.39Å; F549-I607 HydrophobicContact CZ-CD1 4.36Å
550	S	98.1	Very high	96.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.6	174.1	161.2	0	0	0	0	109.1	I533 I534 D552 G554 C556	I533-S550 VanDerWaalsContact CA-O 3.32Å; I533-S550 WeakPolarHBondContact CA-O 3.31Å; I534-S550 PolarHBondContact N-O 3.01Å; I534-S550 PolarHBondContact O-N 3.13Å; S550-D552 PolarHBondContact OG-N 2.96Å; S550-D552 PolarHBondContact OG-OD1 2.96Å; S550-G554 VanDerWaalsContact OG-CA 3.26Å; S550-G554 WeakPolarHBondContact OG-CA 3.01Å; S550-G554 PolarHBondContact OG-N 3.01Å; S550-C556 WeakPolarHBondContact CA-O 3.49Å; S550-C556 WeakPolarHBondContact CB-O 3.49Å; S550-C556 PolarHBondContact OG-O 2.89Å
551	T	97.1	Very high	96.6	Very high	17 Å²	17	45.5 Å²	45.5	10%	0.104	24%	0.239	C	C	.	.	S	Bend	trans	-122.4	20.5	173.6	61	0	0	0	0	112	V89 G532 I533 F549 I607 L608	V89-T551 HydrophobicContact CG2-CG2 4.37Å; G532-T551 WeakPolarHBondContact O-CA 3.28Å; I533-T551 HydrophobicContact CG1-CG2 4.16Å; F549-T551 HydrophobicContact CD2-CG2 4.38Å; T551-I607 HydrophobicContact CG2-CG2 4.14Å; T551-L608 HydrophobicContact CG2-CD2 4.32Å
552	D	96.3	Very high	96.8	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.134	20%	0.204	C	C	.	.	S	Bend	trans	-143.5	37.1	-167.3	70.8	-26.3	0	0	0	112.4	S550 G554 Q555 C556 K647	S550-D552 PolarHBondContact OG-N 2.96Å; S550-D552 PolarHBondContact OG-OD1 2.96Å; D552-G554 VanDerWaalsContact C-N 3.29Å; D552-G554 PolarHBondContact O-N 3.4Å; D552-Q555 PolarHBondContact OD1-N 3.49Å; D552-Q555 WeakPolarHBondContact OD2-CB 3.32Å; D552-C556 VanDerWaalsContact CG-N 3.29Å; D552-C556 PolarHBondContact OD1-N 2.89Å; D552-C556 WeakPolarHBondContact OD2-CB 3.39Å; D552-C556 PolarHBondContact OD2-N 3.38Å; D552-K647 HydrophobicContact CB-CB 4.16Å; D552-K647 WeakPolarHBondContact CB-O 3.46Å
553	E	96.6	Very high	97	Very high	24 Å²	24	32.2 Å²	32.2	11%	0.112	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	38.8	-176.8	-55.1	-176.5	135.7	0	0	113.2	I487 I507 R644 K647	I487-E553 HydrophobicContact CD1-CB 4.36Å; I487-E553 HydrophobicContact CD1-CG 3.93Å; I507-E553 WeakPolarHBondContact CD1-O 3.38Å; E553-R644 VanDerWaalsContact CD-NH2 3.31Å; E553-R644 IonicContact OE1-CZ 2.66Å; E553-R644 IonicContact OE1-NE 3.34Å; E553-R644 IonicContact OE1-NH2 2.7Å; E553-R644 PolarHBondContact OE1-NH2 2.92Å; E553-R644 IonicContact OE2-NH2 2.73Å; E553-R644 PolarHBondContact OE2-NH2 3.15Å; E553-R644 VanDerWaalsContact OE2-NH2 3.15Å; E553-K647 HydrophobicContact CB-CD 4.46Å; E553-K647 HydrophobicContact CB-CG 4.24Å; E553-K647 HydrophobicContact CG-CG 4.13Å; E553-K647 WeakPolarHBondContact OE2-CE 3.32Å; E553-K647 WeakPolarHBondContact OE2-CG 3.11Å; E553-K647 IonicContact OE2-NZ 2.75Å
554	G	95.3	Very high	97	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	11.7	170.1	0	0	0	0	0	115.8	S550 D552 W557	S550-G554 VanDerWaalsContact OG-CA 3.26Å; S550-G554 WeakPolarHBondContact OG-CA 3.01Å; S550-G554 PolarHBondContact OG-N 3.01Å; D552-G554 VanDerWaalsContact C-N 3.29Å; D552-G554 PolarHBondContact O-N 3.4Å; G554-W557 PolarHBondContact O-NE1 2.91Å
555	Q	94.1	Very high	96.9	Very high	119 Å²	119	46.1 Å²	46.1	56%	0.556	23%	0.229	S	C	*	.	S	Bend	trans	-83.9	-43.2	-178	-58.1	-165.3	-26.9	0	0	112.6	D552 K647	D552-Q555 PolarHBondContact OD1-N 3.49Å; D552-Q555 WeakPolarHBondContact OD2-CB 3.32Å; Q555-K647 HydrophobicContact CG-CD 4.43Å
556	C	95.6	Very high	96.8	Very high	28 Å²	28	46.7 Å²	46.7	19%	0.189	24%	0.235	C	C	.	.	S	Bend	trans	-111.3	138.6	172.9	-86.2	0	0	0	0	112	C86 S550 D552	C86-C556 WeakPolarHBondContact CA-SG 3.36Å; C86-C556 WeakPolarHBondContact CB-SG 3.44Å; C86-C556 WeakPolarHBondContact SG-CB 3.47Å; C86-C556 CovalentContact SG-SG 2.04Å; C86-C556 PolarHBondContact SG-SG 2.75Å; S550-C556 WeakPolarHBondContact CA-O 3.49Å; S550-C556 WeakPolarHBondContact CB-O 3.49Å; S550-C556 PolarHBondContact OG-O 2.89Å; D552-C556 VanDerWaalsContact CG-N 3.29Å; D552-C556 PolarHBondContact OD1-N 2.89Å; D552-C556 WeakPolarHBondContact OD2-CB 3.39Å; D552-C556 PolarHBondContact OD2-N 3.38Å
557	W	96.3	Very high	96.6	Very high	53 Å²	53	44.5 Å²	44.5	20%	0.201	22%	0.222	C	C	.	.			trans	-122.3	135.7	-179.5	-69.9	88.2	0	0	0	112.4	M518 L519 I534 A536 K548 F549 G554	M518-W557 HydrophobicContact CE-CH2 3.94Å; M518-W557 HydrophobicContact CE-CZ2 3.67Å; M518-W557 HydrophobicContact CG-CZ2 3.62Å; M518-W557 PolarHBondContact O-NE1 2.87Å; M518-W557 HydrophobicContact SD-CH2 4.33Å; M518-W557 HydrophobicContact SD-CZ2 3.68Å; L519-W557 HydrophobicContact CD1-CH2 4.33Å; L519-W557 HydrophobicContact CD1-CZ2 4.35Å; L519-W557 HydrophobicContact CD1-CZ3 4.46Å; L519-W557 HydrophobicContact CD2-CD2 3.91Å; L519-W557 HydrophobicContact CD2-CE3 4.48Å; L519-W557 HydrophobicContact CD2-CG 3.94Å; L519-W557 HydrophobicContact CG-CD2 4.48Å; L519-W557 HydrophobicContact CG-CZ2 4.4Å; I534-W557 HydrophobicContact CB-CH2 4.15Å; I534-W557 HydrophobicContact CG2-CH2 3.83Å; I534-W557 HydrophobicContact CG2-CZ2 4.42Å; A536-W557 HydrophobicContact CB-CH2 4.02Å; A536-W557 HydrophobicContact CB-CZ3 3.84Å; K548-W557 HydrophobicContact CB-CE3 3.75Å; K548-W557 HydrophobicContact CB-CZ3 4.12Å; F549-W557 VanDerWaalsContact C-CE3 3.46Å; F549-W557 WeakPolarHBondContact O-CA 3.41Å; G554-W557 PolarHBondContact O-NE1 2.91Å
558	Q	95.9	Very high	96.5	Very high	19 Å²	19	47.9 Å²	47.9	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.5	171.4	-66.4	-173.9	-102.5	0	0	110.4	R88 V89 K548 F549	R88-Q558 HydrophobicContact CG-CG 4.46Å; V89-Q558 VanDerWaalsContact CB-OE1 3.28Å; V89-Q558 PolarHBondContact O-NE2 3.35Å; V89-Q558 VanDerWaalsContact O-NE2 3.15Å; K548-Q558 CarbonylContact C-O 3.34Å; K548-Q558 WeakPolarHBondContact CA-O 3.32Å; F549-Q558 HydrophobicContact CD1-CB 4.2Å; F549-Q558 WeakPolarHBondContact CD1-O 3.28Å; F549-Q558 HydrophobicContact CE1-CB 3.65Å; F549-Q558 HydrophobicContact CE2-CB 4.14Å; F549-Q558 HydrophobicContact CZ-CB 3.62Å; F549-Q558 HydrophobicContact CZ-CG 4.36Å; F549-Q558 PolarHBondContact N-O 2.73Å; F549-Q558 PolarHBondContact O-N 2.7Å
559	T	97.4	Very high	96.4	Very high	89 Å²	89	47.7 Å²	47.7	55%	0.546	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.8	179	45.4	0	0	0	0	110.8	F92 V546 K548	F92-T559 VanDerWaalsContact CE2-O 3.29Å; F92-T559 WeakPolarHBondContact CE2-O 3.02Å; V546-T559 HydrophobicContact CG1-CG2 4.1Å; K548-T559 HydrophobicContact CG-CG2 4.2Å
560	Y	98.1	Very high	96.2	Very high	14 Å²	14	50.3 Å²	50.3	6%	0.055	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.5	176.4	169.8	-114.3	0	0	0	110.7	V93 L96 A97 T100 V546 I547 F562 I602	V93-Y560 HydrophobicContact CG1-CE2 4.47Å; L96-Y560 HydrophobicContact CB-CD1 4.03Å; L96-Y560 HydrophobicContact CB-CD2 4.04Å; L96-Y560 HydrophobicContact CB-CE1 3.72Å; L96-Y560 HydrophobicContact CB-CE2 3.74Å; L96-Y560 HydrophobicContact CB-CG 4.19Å; L96-Y560 HydrophobicContact CD1-CD1 3.76Å; L96-Y560 HydrophobicContact CD1-CD2 4.07Å; L96-Y560 HydrophobicContact CD1-CE1 4.32Å; L96-Y560 HydrophobicContact CD1-CG 3.63Å; L96-Y560 PolarHBondContact O-OH 3.47Å; A97-Y560 WeakPolarHBondContact CA-OH 3.31Å; A97-Y560 PolarHBondContact N-OH 2.77Å; T100-Y560 WeakPolarHBondContact OG1-CE1 3.07Å; T100-Y560 PolarHBondContact OG1-OH 2.04Å; V546-Y560 WeakPolarHBondContact CA-O 3.47Å; I547-Y560 HydrophobicContact CG2-CD1 3.66Å; I547-Y560 HydrophobicContact CG2-CG 4.33Å; I547-Y560 WeakPolarHBondContact CG2-O 3.46Å; I547-Y560 PolarHBondContact N-O 2.79Å; I547-Y560 PolarHBondContact O-N 2.91Å; Y560-F562 HydrophobicContact CD1-CB 4.19Å; Y560-F562 HydrophobicContact CE1-CB 3.83Å; Y560-F562 PolarHBondContact O-N 3.23Å; Y560-I602 HydrophobicContact CD1-CD1 4.21Å; Y560-I602 HydrophobicContact CE1-CD1 4.03Å
561	T	98.5	Very high	96.1	Very high	79 Å²	79	51.1 Å²	51.1	49%	0.485	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	101.8	176.7	-56.1	0	0	0	0	109.4	N545 T563	N545-T561 WeakPolarHBondContact ND2-CG2 3.48Å; N545-T561 CarbonylContact O-C 3.59Å; N545-T561 WeakPolarHBondContact O-CA 3.4Å; T561-T563 VanDerWaalsContact CG2-O 3.27Å; T561-T563 WeakPolarHBondContact CG2-O 3.2Å
562	F	97.8	Very high	96.1	Very high	10 Å²	10	52 Å²	52	4%	0.044	26%	0.263	C	S	.	.			trans	-81.9	-17.2	-174	68.6	-97.9	0	0	0	113.9	T100 I537 I544 N545 I547 Y560 I567 I585 Y600 I602	T100-F562 HydrophobicContact CG2-CB 4.29Å; I537-F562 HydrophobicContact CD1-CE1 4.45Å; I544-F562 HydrophobicContact CD1-CE1 3.88Å; I544-F562 HydrophobicContact CD1-CZ 3.83Å; N545-F562 VanDerWaalsContact C-CD1 3.49Å; N545-F562 VanDerWaalsContact O-CD1 3.29Å; N545-F562 WeakPolarHBondContact O-CD1 3.47Å; N545-F562 PolarHBondContact O-N 2.82Å; I547-F562 HydrophobicContact CB-CD1 4.15Å; I547-F562 HydrophobicContact CG2-CB 4.44Å; I547-F562 HydrophobicContact CG2-CD1 4.16Å; Y560-F562 HydrophobicContact CD1-CB 4.19Å; Y560-F562 HydrophobicContact CE1-CB 3.83Å; Y560-F562 PolarHBondContact O-N 3.23Å; F562-I567 HydrophobicContact CE2-CD1 4.04Å; F562-I567 HydrophobicContact CE2-CG1 4.49Å; F562-I567 HydrophobicContact CZ-CD1 4.07Å; F562-I567 HydrophobicContact CZ-CG1 4.28Å; F562-I585 HydrophobicContact CB-CD1 4.38Å; F562-I585 HydrophobicContact CD1-CD1 3.54Å; F562-I585 HydrophobicContact CD2-CD1 4.01Å; F562-I585 HydrophobicContact CE1-CD1 3.68Å; F562-I585 HydrophobicContact CE1-CG2 4.39Å; F562-I585 HydrophobicContact CE2-CD1 4.14Å; F562-I585 HydrophobicContact CE2-CG2 4.33Å; F562-I585 HydrophobicContact CG-CD1 3.72Å; F562-I585 HydrophobicContact CZ-CD1 3.99Å; F562-I585 HydrophobicContact CZ-CG2 3.93Å; F562-Y600 HydrophobicContact CD2-CD1 4.03Å; F562-Y600 AromaticContact CD2-CD2 4Å; F562-Y600 HydrophobicContact CD2-CD2 4Å; F562-Y600 AromaticContact CD2-CG 3.71Å; F562-Y600 HydrophobicContact CD2-CG 3.71Å; F562-Y600 HydrophobicContact CE2-CD1 4.49Å; F562-Y600 AromaticContact CE2-CD2 3.67Å; F562-Y600 HydrophobicContact CE2-CD2 3.67Å; F562-Y600 HydrophobicContact CE2-CE2 4.09Å; F562-Y600 AromaticContact CE2-CG 3.88Å; F562-Y600 HydrophobicContact CE2-CG 3.88Å; F562-I602 HydrophobicContact CB-CD1 3.83Å
563	T	97.3	Very high	96.1	Very high	14 Å²	14	51.4 Å²	51.4	9%	0.086	26%	0.262	C	S	.	.			trans	-146.8	157.9	175.3	-172.5	0	0	0	0	112.9	N545 T561 D565 Y600	N545-T563 HydrophobicContact CB-CG2 3.59Å; N545-T563 WeakPolarHBondContact CB-O 2.99Å; N545-T563 PolarHBondContact ND2-O 2.89Å; T561-T563 VanDerWaalsContact CG2-O 3.27Å; T561-T563 WeakPolarHBondContact CG2-O 3.2Å; T563-D565 WeakPolarHBondContact CG2-O 3.33Å; T563-D565 PolarHBondContact OG1-N 2.92Å; T563-D565 PolarHBondContact OG1-O 2.77Å; T563-Y600 HydrophobicContact CG2-CE1 4.41Å; T563-Y600 HydrophobicContact CG2-CE2 4.33Å; T563-Y600 PolarHBondContact OG1-OH 3.14Å
564	R	95.3	Very high	96.1	Very high	230 Å²	230	51.6 Å²	51.6	87%	0.868	27%	0.266	S	S	*	.	S	Bend	trans	-84.1	-30.2	172.2	-65.2	-177.4	-178.6	178.1	1.5	112.3	P566	R564-P566 WeakPolarHBondContact O-CD 3.38Å
565	D	93.8	Very high	96.1	Very high	115 Å²	115	51.4 Å²	51.4	62%	0.615	26%	0.264	S	S	*	.	S	Bend	trans	-107.3	102.9	-174.2	-57.1	-56.2	0	0	0	108.4	T563	T563-D565 WeakPolarHBondContact CG2-O 3.33Å; T563-D565 PolarHBondContact OG1-N 2.92Å; T563-D565 PolarHBondContact OG1-O 2.77Å
566	P	95.4	Very high	96.1	Very high	56 Å²	56	49.7 Å²	49.7	36%	0.364	26%	0.263	S	S	.	.			trans	-62	150.2	-173	-26.1	37.5	0	0	0	113.9	P543 I544 N545 R564	P543-P566 HydrophobicContact CB-CB 3.51Å; I544-P566 WeakPolarHBondContact O-CA 3.36Å; N545-P566 HydrophobicContact CB-CB 4.24Å; N545-P566 HydrophobicContact CB-CG 4.15Å; R564-P566 WeakPolarHBondContact O-CD 3.38Å
567	I	95.5	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.8	-178.1	63.9	177.5	0	0	0	111.4	P543 I544 F562 F569 I585 F588 V598 Y600	P543-I567 CarbonylContact C-O 3.57Å; P543-I567 VanDerWaalsContact CA-O 3.23Å; P543-I567 WeakPolarHBondContact CA-O 3.21Å; I544-I567 PolarHBondContact N-O 2.85Å; I544-I567 PolarHBondContact O-N 3.06Å; F562-I567 HydrophobicContact CE2-CD1 4.04Å; F562-I567 HydrophobicContact CE2-CG1 4.49Å; F562-I567 HydrophobicContact CZ-CD1 4.07Å; F562-I567 HydrophobicContact CZ-CG1 4.28Å; I567-F569 PolarHBondContact O-N 2.88Å; I567-F569 VanDerWaalsContact O-N 3.09Å; I567-I585 HydrophobicContact CD1-CG2 4.26Å; I567-F588 WeakPolarHBondContact CA-O 3.44Å; I567-V598 HydrophobicContact CB-CG1 4.5Å; I567-V598 HydrophobicContact CG2-CG1 3.65Å; I567-Y600 HydrophobicContact CD1-CD2 4.05Å; I567-Y600 HydrophobicContact CD1-CE2 4.09Å; I567-Y600 HydrophobicContact CG2-CE2 3.95Å
568	Y	95.4	Very high	95.9	Very high	70 Å²	70	47.3 Å²	47.3	28%	0.275	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	104.2	160.7	-75.3	-77	0	0	0	107.8	P543 G587 F588 E590	P543-Y568 HydrophobicContact CG-CD1 4.17Å; P543-Y568 HydrophobicContact CG-CD2 3.93Å; P543-Y568 HydrophobicContact CG-CE1 3.86Å; P543-Y568 HydrophobicContact CG-CE2 3.6Å; P543-Y568 HydrophobicContact CG-CG 4.21Å; Y568-G587 CarbonylContact O-C 3.59Å; Y568-G587 WeakPolarHBondContact O-CA 3.21Å; Y568-F588 VanDerWaalsContact CB-CE2 3.47Å; Y568-F588 HydrophobicContact CD2-CD2 4.06Å; Y568-F588 AromaticContact CD2-CE2 3.55Å; Y568-F588 HydrophobicContact CD2-CE2 3.55Å; Y568-F588 HydrophobicContact CD2-CZ 4.18Å; Y568-F588 HydrophobicContact CE2-CE2 4.48Å; Y568-F588 HydrophobicContact CG-CD2 4.34Å; Y568-F588 AromaticContact CG-CE2 3.67Å; Y568-F588 HydrophobicContact CG-CE2 3.67Å; Y568-F588 AromaticContact CG-CZ 3.81Å; Y568-F588 HydrophobicContact CG-CZ 3.81Å; Y568-F588 PolarHBondContact N-O 2.81Å; Y568-F588 PolarHBondContact O-N 3.49Å; Y568-E590 HydrophobicContact CD2-CB 4.4Å; Y568-E590 HydrophobicContact CE2-CB 3.97Å; Y568-E590 HydrophobicContact CE2-CG 4.09Å; Y568-E590 PolarHBondContact OH-OE1 2.62Å; Y568-E590 VanDerWaalsContact OH-OE1 3.11Å
569	F	96.6	Very high	96	Very high	32 Å²	32	49.7 Å²	49.7	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.1	-178.8	173.5	-86.4	0	0	0	111.4	Y524 I537 I544 I567 G571 L572 I585	Y524-F569 AromaticContact CD1-CE1 3.81Å; Y524-F569 HydrophobicContact CD1-CE1 3.81Å; Y524-F569 HydrophobicContact CD1-CZ 4.27Å; Y524-F569 AromaticContact CD2-CD1 3.81Å; Y524-F569 HydrophobicContact CD2-CD1 3.81Å; Y524-F569 AromaticContact CD2-CE1 3.19Å; Y524-F569 HydrophobicContact CD2-CE1 3.19Å; Y524-F569 AromaticContact CD2-CZ 3.91Å; Y524-F569 HydrophobicContact CD2-CZ 3.91Å; Y524-F569 AromaticContact CE1-CE1 3.93Å; Y524-F569 HydrophobicContact CE1-CE1 3.93Å; Y524-F569 AromaticContact CE2-CD1 3.63Å; Y524-F569 HydrophobicContact CE2-CD1 3.63Å; Y524-F569 AromaticContact CE2-CE1 3.31Å; Y524-F569 HydrophobicContact CE2-CE1 3.31Å; Y524-F569 HydrophobicContact CE2-CZ 4.42Å; Y524-F569 HydrophobicContact CG-CD1 4.48Å; Y524-F569 AromaticContact CG-CE1 3.45Å; Y524-F569 HydrophobicContact CG-CE1 3.45Å; Y524-F569 VanDerWaalsContact CG-CE1 3.45Å; Y524-F569 AromaticContact CG-CZ 3.83Å; Y524-F569 HydrophobicContact CG-CZ 3.83Å; Y524-F569 AromaticContact CZ-CE1 3.7Å; I537-F569 HydrophobicContact CB-CD2 4.48Å; I537-F569 HydrophobicContact CB-CE2 4.12Å; I537-F569 HydrophobicContact CB-CZ 4.31Å; I537-F569 HydrophobicContact CG1-CD2 4.45Å; I537-F569 HydrophobicContact CG1-CE2 3.93Å; I537-F569 HydrophobicContact CG1-CZ 4.44Å; I537-F569 HydrophobicContact CG2-CD1 4.3Å; I537-F569 HydrophobicContact CG2-CD2 3.72Å; I537-F569 HydrophobicContact CG2-CE1 4.46Å; I537-F569 HydrophobicContact CG2-CE2 3.86Å; I537-F569 HydrophobicContact CG2-CG 3.93Å; I537-F569 HydrophobicContact CG2-CZ 4.22Å; I544-F569 HydrophobicContact CD1-CB 4.05Å; I544-F569 HydrophobicContact CD1-CD2 4.44Å; I544-F569 HydrophobicContact CG1-CB 3.85Å; I567-F569 PolarHBondContact O-N 2.88Å; I567-F569 VanDerWaalsContact O-N 3.09Å; F569-G571 VanDerWaalsContact CE1-N 3.28Å; F569-G571 VanDerWaalsContact CE2-C 3.49Å; F569-G571 WeakPolarHBondContact CE2-O 3.25Å; F569-G571 VanDerWaalsContact CZ-N 3.34Å; F569-G571 WeakPolarHBondContact CZ-O 3.45Å; F569-L572 HydrophobicContact CE2-CD2 4.11Å; F569-L572 HydrophobicContact CE2-CG 4.18Å; F569-L572 HydrophobicContact CZ-CD2 4.44Å; F569-L572 HydrophobicContact CZ-CG 4Å; F569-I585 HydrophobicContact CD2-CG2 3.73Å; F569-I585 HydrophobicContact CE2-CG2 3.86Å
570	T	94.5	Very high	95.9	Very high	56 Å²	56	45.5 Å²	45.5	34%	0.344	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	-24.6	179.4	57.4	0	0	0	0	114.4	W586 F588 W597	T570-W586 PolarHBondContact N-O 3.25Å; T570-W586 PolarHBondContact OG1-O 2.83Å; T570-F588 HydrophobicContact CG2-CD1 3.86Å; T570-F588 HydrophobicContact CG2-CE1 3.9Å; T570-W597 HydrophobicContact CG2-CH2 4.01Å; T570-W597 HydrophobicContact CG2-CZ3 3.91Å; T570-W597 WeakPolarHBondContact OG1-CZ3 3.49Å
571	G	95.3	Very high	95.8	Very high	18 Å²	18	45.7 Å²	45.7	19%	0.186	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	162.8	-178.8	0	0	0	0	0	114.9	F569 W586	F569-G571 VanDerWaalsContact CE1-N 3.28Å; F569-G571 VanDerWaalsContact CE2-C 3.49Å; F569-G571 WeakPolarHBondContact CE2-O 3.25Å; F569-G571 VanDerWaalsContact CZ-N 3.34Å; F569-G571 WeakPolarHBondContact CZ-O 3.45Å; G571-W586 PolarHBondContact N-O 2.93Å; G571-W586 WeakPolarHBondContact O-CB 3.28Å; G571-W586 PolarHBondContact O-N 3.23Å
572	L	96.9	Very high	95.8	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.7	168.2	-73.2	177	0	0	0	109.3	T526 V535 I537 F569 I583 I585	T526-L572 VanDerWaalsContact OG1-CD1 3.32Å; T526-L572 WeakPolarHBondContact OG1-CD1 3.5Å; V535-L572 HydrophobicContact CG1-CD1 4.47Å; I537-L572 HydrophobicContact CG1-CD1 4.33Å; I537-L572 HydrophobicContact CG1-CD2 3.86Å; I537-L572 HydrophobicContact CG1-CG 4.32Å; F569-L572 HydrophobicContact CE2-CD2 4.11Å; F569-L572 HydrophobicContact CE2-CG 4.18Å; F569-L572 HydrophobicContact CZ-CD2 4.44Å; F569-L572 HydrophobicContact CZ-CG 4Å; L572-I583 HydrophobicContact CB-CD1 4.18Å; L572-I583 HydrophobicContact CD2-CD1 4.2Å; L572-I583 HydrophobicContact CD2-CG1 3.93Å; L572-I585 HydrophobicContact CD2-CG1 4.14Å
573	A	96.5	Very high	95.8	Very high	13 Å²	13	41.9 Å²	41.9	11%	0.107	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.6	168.8	0	0	0	0	0	110.8	L114 S584	L114-A573 HydrophobicContact CD1-CB 4.01Å; L114-A573 HydrophobicContact CD2-CB 4.33Å; A573-S584 PolarHBondContact N-O 2.84Å; A573-S584 PolarHBondContact O-N 3.17Å
574	S	95.9	Very high	95.8	Very high	27 Å²	27	41.3 Å²	41.3	19%	0.189	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	165.1	172.1	56.4	0	0	0	0	110	W116 T526	W116-S574 WeakPolarHBondContact CZ2-O 3.27Å; W116-S574 PolarHBondContact NE1-O 2.87Å; T526-S574 WeakPolarHBondContact CG2-OG 3.28Å
575	E	95.4	Very high	96	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	18%	0.176	C	C	.	.			trans	-60.8	132	168.8	-177.8	168.2	-120.2	0	0	109.8	W116 S120 Y150 S580 R655	W116-E575 HydrophobicContact CE3-CB 4.47Å; W116-E575 HydrophobicContact CH2-CB 4.2Å; W116-E575 VanDerWaalsContact CZ2-N 3.32Å; W116-E575 HydrophobicContact CZ3-CB 4.17Å; S120-E575 VanDerWaalsContact CA-OE1 3.3Å; S120-E575 WeakPolarHBondContact CA-OE1 3.44Å; S120-E575 PolarHBondContact N-OE1 2.7Å; Y150-E575 WeakPolarHBondContact CE1-OE1 2.8Å; E575-S580 WeakPolarHBondContact OE2-CB 3.4Å; E575-R655 IonicContact OE1-NH2 3.65Å; E575-R655 IonicContact OE2-CZ 2.73Å; E575-R655 IonicContact OE2-NE 2.76Å; E575-R655 PolarHBondContact OE2-NE 3.43Å; E575-R655 IonicContact OE2-NH2 2.68Å; E575-R655 PolarHBondContact OE2-NH2 3.03Å
576	P	94.6	Very high	96.1	Very high	83 Å²	83	25.5 Å²	25.5	54%	0.539	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	147.3	177.1	-26.7	35.8	0	0	0	113.2	W116	W116-P576 HydrophobicContact CG-CG 4.36Å
577	G	92.8	Very high	96.1	Very high	31 Å²	31	22.9 Å²	22.9	32%	0.32	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	15.3	-178.7	0	0	0	0	0	114.7	N483 R579	N483-G577 PolarHBondContact ND2-O 2.93Å; G577-R579 PolarHBondContact O-N 2.91Å
578	A	96	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	54.1	25.2	166.3	0	0	0	0	0	116.9	E481 I527 L528 D529 S530	E481-A578 HydrophobicContact CB-CB 4.21Å; E481-A578 HydrophobicContact CG-CB 3.81Å; I527-A578 HydrophobicContact CB-CB 4.39Å; I527-A578 HydrophobicContact CG2-CB 4.28Å; I527-A578 WeakPolarHBondContact O-CB 3.41Å; L528-A578 CarbonylContact C-O 3.42Å; D529-A578 PolarHBondContact N-O 3.35Å; S530-A578 PolarHBondContact N-O 3.02Å
579	R	96.6	Very high	95.6	Very high	69 Å²	69	24.1 Å²	24.1	26%	0.26	14%	0.141	S	C	.	.			trans	-91.8	-13.7	-179.4	-76.1	172.6	-177.7	-77.5	-11.2	114.9	G577 R655 Y657	G577-R579 PolarHBondContact O-N 2.91Å; R579-R655 HydrophobicContact CB-CG 4.4Å; R579-R655 PolarHBondContact NH1-O 2.9Å; R579-Y657 PolarHBondContact NH1-O 3.09Å; R579-Y657 PolarHBondContact NH2-O 2.93Å; R579-Y657 VanDerWaalsContact NH2-O 3.1Å
580	S	95.7	Very high	94.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	16%	0.163	C	C	.	.			trans	-82.7	154.6	178.4	-170.5	0	0	0	0	112.1	L528 D529 E575 N582 R655	L528-S580 WeakPolarHBondContact CB-O 3.33Å; L528-S580 WeakPolarHBondContact CD2-O 3.2Å; D529-S580 PolarHBondContact N-O 2.8Å; E575-S580 WeakPolarHBondContact OE2-CB 3.4Å; S580-N582 WeakPolarHBondContact OG-CB 3.23Å; S580-N582 PolarHBondContact OG-N 2.86Å; S580-N582 PolarHBondContact OG-ND2 2.96Å; S580-N582 VanDerWaalsContact OG-ND2 3.08Å; S580-R655 PolarHBondContact OG-NH2 3.38Å
581	M	96.4	Very high	93.5	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.089	16%	0.163	C	C	.	.	S	Bend	trans	-98.6	8.8	163.2	-69.8	-170.9	-64.1	0	0	112.9	D529 F604 K605 L608 Q652	D529-M581 HydrophobicContact CB-CG 4.01Å; M581-F604 HydrophobicContact CB-CB 4.21Å; M581-F604 PolarHBondContact O-N 3.45Å; M581-K605 HydrophobicContact CE-CB 3.64Å; M581-L608 HydrophobicContact SD-CB 4.22Å; M581-L608 HydrophobicContact SD-CD1 4.22Å; M581-Q652 HydrophobicContact CE-CG 4.19Å; M581-Q652 VanDerWaalsContact CE-OE1 3.29Å; M581-Q652 VanDerWaalsContact SD-CD 3.56Å; M581-Q652 HydrophobicContact SD-CG 3.71Å
582	N	97.9	Very high	91.8	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.1	-178.3	-56.5	-99.5	0	0	0	110	Y150 K152 S580 I602 D603	Y150-N582 HydrophobicContact CD1-CB 4.5Å; Y150-N582 HydrophobicContact CG-CB 4.16Å; K152-N582 WeakPolarHBondContact CE-OD1 3.47Å; K152-N582 PolarHBondContact NZ-OD1 3.33Å; S580-N582 WeakPolarHBondContact OG-CB 3.23Å; S580-N582 PolarHBondContact OG-N 2.86Å; S580-N582 PolarHBondContact OG-ND2 2.96Å; S580-N582 VanDerWaalsContact OG-ND2 3.08Å; N582-I602 WeakPolarHBondContact CA-O 3.2Å; N582-D603 PolarHBondContact OD1-OD2 2.74Å
583	I	98.3	Very high	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.9	177.2	-173	69.6	0	0	0	110.2	T526 L528 V535 I547 L572 T601 I602 F604	T526-I583 HydrophobicContact CG2-CD1 3.86Å; L528-I583 HydrophobicContact CD1-CB 4.17Å; L528-I583 HydrophobicContact CD1-CG2 4.39Å; V535-I583 HydrophobicContact CG1-CG1 4.47Å; I547-I583 HydrophobicContact CD1-CG2 4.44Å; L572-I583 HydrophobicContact CB-CD1 4.18Å; L572-I583 HydrophobicContact CD2-CD1 4.2Å; L572-I583 HydrophobicContact CD2-CG1 3.93Å; I583-T601 CarbonylContact O-C 3.21Å; I583-T601 VanDerWaalsContact O-CA 3.3Å; I583-T601 WeakPolarHBondContact O-CA 3.32Å; I583-I602 HydrophobicContact CG2-CB 4.13Å; I583-I602 PolarHBondContact N-O 3.3Å; I583-I602 PolarHBondContact O-N 3.18Å; I583-F604 HydrophobicContact CG2-CD2 4.4Å; I583-F604 HydrophobicContact CG2-CE2 3.77Å
584	S	98.3	Very high	88.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.4	174.9	-53.8	0	0	0	0	110.6	Y150 A573 T601	Y150-S584 PolarHBondContact O-OG 3.32Å; A573-S584 PolarHBondContact N-O 2.84Å; A573-S584 PolarHBondContact O-N 3.17Å; S584-T601 WeakPolarHBondContact CB-OG1 3.27Å; S584-T601 PolarHBondContact OG-OG1 3.46Å
585	I	98.4	Very high	88.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.8	171.5	-50.7	173.3	0	0	0	107.9	I537 I547 F562 I567 F569 L572 S599 Y600 I602	I537-I585 HydrophobicContact CD1-CD1 4.06Å; I537-I585 HydrophobicContact CD1-CG1 4.41Å; I537-I585 HydrophobicContact CD1-CG2 4.35Å; I547-I585 HydrophobicContact CB-CD1 4.24Å; I547-I585 HydrophobicContact CD1-CD1 3.84Å; I547-I585 HydrophobicContact CD1-CG1 4.32Å; F562-I585 HydrophobicContact CB-CD1 4.38Å; F562-I585 HydrophobicContact CD1-CD1 3.54Å; F562-I585 HydrophobicContact CD2-CD1 4.01Å; F562-I585 HydrophobicContact CE1-CD1 3.68Å; F562-I585 HydrophobicContact CE1-CG2 4.39Å; F562-I585 HydrophobicContact CE2-CD1 4.14Å; F562-I585 HydrophobicContact CE2-CG2 4.33Å; F562-I585 HydrophobicContact CG-CD1 3.72Å; F562-I585 HydrophobicContact CZ-CD1 3.99Å; F562-I585 HydrophobicContact CZ-CG2 3.93Å; I567-I585 HydrophobicContact CD1-CG2 4.26Å; F569-I585 HydrophobicContact CD2-CG2 3.73Å; F569-I585 HydrophobicContact CE2-CG2 3.86Å; L572-I585 HydrophobicContact CD2-CG1 4.14Å; I585-S599 CarbonylContact O-C 3.57Å; I585-S599 VanDerWaalsContact O-CA 3.3Å; I585-S599 WeakPolarHBondContact O-CA 3.31Å; I585-Y600 PolarHBondContact N-O 3.07Å; I585-Y600 PolarHBondContact O-N 2.73Å; I585-I602 HydrophobicContact CD1-CD1 3.84Å
586	W	96.8	Very high	87.6	Confident	14 Å²	14	50.5 Å²	50.5	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.8	-179.9	-75.1	81.1	0	0	0	112.3	F105 L114 V126 F154 T570 G571 W597	F105-W586 HydrophobicContact CD2-CH2 4.48Å; F105-W586 HydrophobicContact CD2-CZ3 4.18Å; F105-W586 HydrophobicContact CE1-CH2 4.32Å; F105-W586 HydrophobicContact CE2-CE3 4.44Å; F105-W586 AromaticContact CE2-CH2 3.44Å; F105-W586 HydrophobicContact CE2-CH2 3.44Å; F105-W586 VanDerWaalsContact CE2-CH2 3.44Å; F105-W586 HydrophobicContact CE2-CZ2 4.42Å; F105-W586 AromaticContact CE2-CZ3 3.45Å; F105-W586 HydrophobicContact CE2-CZ3 3.45Å; F105-W586 VanDerWaalsContact CE2-CZ3 3.45Å; F105-W586 AromaticContact CZ-CH2 3.34Å; F105-W586 HydrophobicContact CZ-CH2 3.34Å; F105-W586 HydrophobicContact CZ-CZ2 4.23Å; F105-W586 AromaticContact CZ-CZ3 3.85Å; F105-W586 HydrophobicContact CZ-CZ3 3.85Å; L114-W586 HydrophobicContact CD1-CZ2 3.64Å; V126-W586 HydrophobicContact CG1-CH2 4.13Å; V126-W586 HydrophobicContact CG2-CH2 3.72Å; V126-W586 HydrophobicContact CG2-CZ2 4Å; F154-W586 HydrophobicContact CE2-CZ2 4.24Å; F154-W586 HydrophobicContact CZ-CH2 4.45Å; F154-W586 HydrophobicContact CZ-CZ2 4.02Å; T570-W586 PolarHBondContact N-O 3.25Å; T570-W586 PolarHBondContact OG1-O 2.83Å; G571-W586 PolarHBondContact N-O 2.93Å; G571-W586 WeakPolarHBondContact O-CB 3.28Å; G571-W586 PolarHBondContact O-N 3.23Å; W586-W597 HydrophobicContact CE3-CE3 4.4Å
587	G	94.5	Very high	87.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	-166.4	172.7	0	0	0	0	0	112.9	Y568 V598	Y568-G587 CarbonylContact O-C 3.59Å; Y568-G587 WeakPolarHBondContact O-CA 3.21Å; G587-V598 PolarHBondContact N-O 3.06Å; G587-V598 VanDerWaalsContact N-O 3.12Å; G587-V598 PolarHBondContact O-N 3.44Å; G587-V598 VanDerWaalsContact O-O 3.1Å
588	F	91.6	Very high	87.6	Confident	65 Å²	65	47.6 Å²	47.6	29%	0.285	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.6	174	58.8	-88.6	0	0	0	112.6	I567 Y568 T570 Q596	I567-F588 WeakPolarHBondContact CA-O 3.44Å; Y568-F588 VanDerWaalsContact CB-CE2 3.47Å; Y568-F588 HydrophobicContact CD2-CD2 4.06Å; Y568-F588 AromaticContact CD2-CE2 3.55Å; Y568-F588 HydrophobicContact CD2-CE2 3.55Å; Y568-F588 HydrophobicContact CD2-CZ 4.18Å; Y568-F588 HydrophobicContact CE2-CE2 4.48Å; Y568-F588 HydrophobicContact CG-CD2 4.34Å; Y568-F588 AromaticContact CG-CE2 3.67Å; Y568-F588 HydrophobicContact CG-CE2 3.67Å; Y568-F588 AromaticContact CG-CZ 3.81Å; Y568-F588 HydrophobicContact CG-CZ 3.81Å; Y568-F588 PolarHBondContact N-O 2.81Å; Y568-F588 PolarHBondContact O-N 3.49Å; T570-F588 HydrophobicContact CG2-CD1 3.86Å; T570-F588 HydrophobicContact CG2-CE1 3.9Å; F588-Q596 CarbonylContact C-O 3.53Å; F588-Q596 WeakPolarHBondContact CA-O 3.32Å; F588-Q596 WeakPolarHBondContact CB-O 3.38Å
589	T	89.3	Confident	87.6	Confident	31 Å²	31	47.6 Å²	47.6	19%	0.19	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.2	-178.8	52.4	0	0	0	0	112.3	S591 S595 Q596 V598	T589-S591 PolarHBondContact O-N 2.83Å; T589-S595 VanDerWaalsContact O-CB 3.26Å; T589-S595 WeakPolarHBondContact O-CB 3.44Å; T589-S595 PolarHBondContact O-OG 3.46Å; T589-Q596 PolarHBondContact N-O 2.88Å; T589-Q596 PolarHBondContact OG1-N 2.68Å; T589-Q596 PolarHBondContact OG1-O 2.86Å; T589-V598 HydrophobicContact CG2-CG1 4.06Å
590	E	78.1	Confident	87.7	Confident	128 Å²	128	44.5 Å²	44.5	60%	0.598	23%	0.225	S	C	*	.			trans	-76.7	116.1	169.2	-174.1	163.5	-129.6	0	0	109.6	Y568	Y568-E590 HydrophobicContact CD2-CB 4.4Å; Y568-E590 HydrophobicContact CE2-CB 3.97Å; Y568-E590 HydrophobicContact CE2-CG 4.09Å; Y568-E590 PolarHBondContact OH-OE1 2.62Å; Y568-E590 VanDerWaalsContact OH-OE1 3.11Å
591	S	69.3	Low	87.8	Confident	50 Å²	50	44.5 Å²	44.5	35%	0.35	23%	0.225	S	C	.	.			trans	-150.7	128.1	-174.1	171.1	0	0	0	0	111	T589 L593 T594	T589-S591 PolarHBondContact O-N 2.83Å; S591-L593 PolarHBondContact O-N 3.29Å; S591-L593 VanDerWaalsContact O-N 3.13Å; S591-T594 WeakPolarHBondContact CB-O 3.37Å; S591-T594 PolarHBondContact OG-N 3.25Å; S591-T594 PolarHBondContact OG-O 2.8Å
592	F	58.4	Low	88	Confident	218 Å²	218	43.6 Å²	43.6	96%	0.956	22%	0.22	S	C	*	.	S	Bend	trans	-66.9	-9.7	-178.6	-69.1	-83.3	0	0	0	114.8
593	L	62.8	Low	88	Confident	164 Å²	164	43.9 Å²	43.9	86%	0.859	22%	0.222	S	C	*	.	S	Bend	trans	-123.9	-44.3	-175.3	-65	174.4	0	0	0	112.7	S591	S591-L593 PolarHBondContact O-N 3.29Å; S591-L593 VanDerWaalsContact O-N 3.13Å
594	T	70.1	Confident	88	Confident	62 Å²	62	43.9 Å²	43.9	38%	0.38	22%	0.222	S	C	.	.			trans	-154.5	107.5	178.7	51.3	0	0	0	0	110.1	S591	S591-T594 WeakPolarHBondContact CB-O 3.37Å; S591-T594 PolarHBondContact OG-N 3.25Å; S591-T594 PolarHBondContact OG-O 2.8Å
595	S	78.1	Confident	87.9	Confident	60 Å²	60	47.9 Å²	47.9	42%	0.42	24%	0.239	S	C	.	.			trans	-63	133.6	161.7	-72.3	0	0	0	0	109.6	T589	T589-S595 VanDerWaalsContact O-CB 3.26Å; T589-S595 WeakPolarHBondContact O-CB 3.44Å; T589-S595 PolarHBondContact O-OG 3.46Å
596	Q	86	Confident	87.8	Confident	56 Å²	56	50.2 Å²	50.2	26%	0.262	25%	0.251	S	S	.	.			trans	-115.1	145.4	176.2	-62	178.6	-67.1	0	0	109	V104 D106 F588 T589	V104-Q596 HydrophobicContact CG1-CB 4.25Å; D106-Q596 PolarHBondContact OD1-NE2 2.83Å; F588-Q596 CarbonylContact C-O 3.53Å; F588-Q596 WeakPolarHBondContact CA-O 3.32Å; F588-Q596 WeakPolarHBondContact CB-O 3.38Å; T589-Q596 PolarHBondContact N-O 2.88Å; T589-Q596 PolarHBondContact OG1-N 2.68Å; T589-Q596 PolarHBondContact OG1-O 2.86Å
597	W	91.6	Very high	87.7	Confident	54 Å²	54	49.9 Å²	49.9	21%	0.205	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.3	171.5	-73.8	86.4	0	0	0	110.5	F105 L108 V112 T570 W586	F105-W597 HydrophobicContact CB-CB 4.46Å; F105-W597 HydrophobicContact CD2-CB 4.33Å; F105-W597 PolarHBondContact N-O 2.95Å; L108-W597 HydrophobicContact CB-CB 4.09Å; L108-W597 HydrophobicContact CB-CG 4.28Å; L108-W597 HydrophobicContact CD2-CB 3.61Å; L108-W597 HydrophobicContact CD2-CD2 4.09Å; L108-W597 HydrophobicContact CD2-CG 3.44Å; L108-W597 VanDerWaalsContact CD2-CG 3.44Å; L108-W597 HydrophobicContact CG-CB 4.43Å; L108-W597 HydrophobicContact CG-CG 4.46Å; V112-W597 HydrophobicContact CG2-CD2 4Å; V112-W597 HydrophobicContact CG2-CE3 4.36Å; V112-W597 HydrophobicContact CG2-CH2 3.97Å; V112-W597 HydrophobicContact CG2-CZ2 3.57Å; V112-W597 HydrophobicContact CG2-CZ3 4.34Å; T570-W597 HydrophobicContact CG2-CH2 4.01Å; T570-W597 HydrophobicContact CG2-CZ3 3.91Å; T570-W597 WeakPolarHBondContact OG1-CZ3 3.49Å; W586-W597 HydrophobicContact CE3-CE3 4.4Å
598	V	95	Very high	87.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.8	178.9	58.9	0	0	0	0	109.9	Q102 H103 V104 I567 G587 T589 Y600	Q102-V598 HydrophobicContact CG-CG2 3.91Å; H103-V598 WeakPolarHBondContact O-CA 3.04Å; V104-V598 HydrophobicContact CG2-CB 4.3Å; V104-V598 HydrophobicContact CG2-CG2 3.81Å; I567-V598 HydrophobicContact CB-CG1 4.5Å; I567-V598 HydrophobicContact CG2-CG1 3.65Å; G587-V598 PolarHBondContact N-O 3.06Å; G587-V598 VanDerWaalsContact N-O 3.12Å; G587-V598 PolarHBondContact O-N 3.44Å; G587-V598 VanDerWaalsContact O-O 3.1Å; T589-V598 HydrophobicContact CG2-CG1 4.06Å; V598-Y600 HydrophobicContact CB-CE2 4.38Å; V598-Y600 HydrophobicContact CG1-CE2 3.92Å; V598-Y600 HydrophobicContact CG2-CD2 4.02Å; V598-Y600 HydrophobicContact CG2-CE2 3.51Å
599	S	97.1	Very high	87.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.6	170.5	59.6	0	0	0	0	110	Q102 H103 F105 I585	Q102-S599 WeakPolarHBondContact CA-O 3.1Å; H103-S599 PolarHBondContact N-O 2.7Å; H103-S599 PolarHBondContact O-N 2.82Å; H103-S599 PolarHBondContact O-OG 3.37Å; F105-S599 WeakPolarHBondContact CE2-OG 3.24Å; I585-S599 CarbonylContact O-C 3.57Å; I585-S599 VanDerWaalsContact O-CA 3.3Å; I585-S599 WeakPolarHBondContact O-CA 3.31Å
600	Y	98.4	Very high	88.2	Confident	4 Å²	4	56 Å²	56	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	108.5	171.8	-66.1	-95.4	0	0	0	108.3	T100 H101 Q102 F562 T563 I567 I585 V598	T100-Y600 HydrophobicContact CG2-CD1 4.44Å; H101-Y600 CarbonylContact O-C 3.55Å; H101-Y600 WeakPolarHBondContact O-CA 3.24Å; Q102-Y600 HydrophobicContact CB-CD1 3.84Å; Q102-Y600 HydrophobicContact CB-CE1 3.8Å; Q102-Y600 VanDerWaalsContact CD-CE1 3.45Å; Q102-Y600 HydrophobicContact CG-CD1 3.93Å; Q102-Y600 HydrophobicContact CG-CE1 3.51Å; Q102-Y600 PolarHBondContact NE2-OH 2.76Å; F562-Y600 HydrophobicContact CD2-CD1 4.03Å; F562-Y600 AromaticContact CD2-CD2 4Å; F562-Y600 HydrophobicContact CD2-CD2 4Å; F562-Y600 AromaticContact CD2-CG 3.71Å; F562-Y600 HydrophobicContact CD2-CG 3.71Å; F562-Y600 HydrophobicContact CE2-CD1 4.49Å; F562-Y600 AromaticContact CE2-CD2 3.67Å; F562-Y600 HydrophobicContact CE2-CD2 3.67Å; F562-Y600 HydrophobicContact CE2-CE2 4.09Å; F562-Y600 AromaticContact CE2-CG 3.88Å; F562-Y600 HydrophobicContact CE2-CG 3.88Å; T563-Y600 HydrophobicContact CG2-CE1 4.41Å; T563-Y600 HydrophobicContact CG2-CE2 4.33Å; T563-Y600 PolarHBondContact OG1-OH 3.14Å; I567-Y600 HydrophobicContact CD1-CD2 4.05Å; I567-Y600 HydrophobicContact CD1-CE2 4.09Å; I567-Y600 HydrophobicContact CG2-CE2 3.95Å; I585-Y600 PolarHBondContact N-O 3.07Å; I585-Y600 PolarHBondContact O-N 2.73Å; V598-Y600 HydrophobicContact CB-CE2 4.38Å; V598-Y600 HydrophobicContact CG1-CE2 3.92Å; V598-Y600 HydrophobicContact CG2-CD2 4.02Å; V598-Y600 HydrophobicContact CG2-CE2 3.51Å
601	T	98.6	Very high	89.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.3	-177.9	-63.2	0	0	0	0	110.8	H101 Y150 G151 K152 I583 S584	H101-T601 PolarHBondContact N-O 3.19Å; H101-T601 PolarHBondContact ND1-O 3.27Å; H101-T601 PolarHBondContact O-N 3.13Å; Y150-T601 VanDerWaalsContact O-CG2 3.31Å; Y150-T601 WeakPolarHBondContact O-CG2 3.42Å; G151-T601 VanDerWaalsContact C-OG1 3.25Å; G151-T601 WeakPolarHBondContact O-CB 3.44Å; G151-T601 PolarHBondContact O-OG1 2.93Å; K152-T601 HydrophobicContact CG-CG2 3.57Å; I583-T601 CarbonylContact O-C 3.21Å; I583-T601 VanDerWaalsContact O-CA 3.3Å; I583-T601 WeakPolarHBondContact O-CA 3.32Å; S584-T601 WeakPolarHBondContact CB-OG1 3.27Å; S584-T601 PolarHBondContact OG-OG1 3.46Å
602	I	98.7	Very high	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.1	-177	-57.6	175	0	0	0	108.9	L96 N99 T100 I547 Y560 F562 N582 I583 I585 F604	L96-I602 HydrophobicContact CD2-CG2 3.73Å; N99-I602 WeakPolarHBondContact O-CA 3.39Å; T100-I602 HydrophobicContact CG2-CG1 4.1Å; I547-I602 HydrophobicContact CD1-CD1 4.2Å; I547-I602 HydrophobicContact CG2-CD1 3.96Å; Y560-I602 HydrophobicContact CD1-CD1 4.21Å; Y560-I602 HydrophobicContact CE1-CD1 4.03Å; F562-I602 HydrophobicContact CB-CD1 3.83Å; N582-I602 WeakPolarHBondContact CA-O 3.2Å; I583-I602 HydrophobicContact CG2-CB 4.13Å; I583-I602 PolarHBondContact N-O 3.3Å; I583-I602 PolarHBondContact O-N 3.18Å; I585-I602 HydrophobicContact CD1-CD1 3.84Å; I602-F604 HydrophobicContact CB-CE2 4.23Å; I602-F604 HydrophobicContact CG2-CD2 4Å; I602-F604 HydrophobicContact CG2-CE2 3.65Å; I602-F604 HydrophobicContact CG2-CZ 4.2Å
603	D	98.2	Very high	92.3	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.08	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.8	176.9	-176.8	-5.7	0	0	0	110.3	N99 K152 N582 K605	N99-D603 HydrophobicContact CB-CB 4.25Å; N99-D603 WeakPolarHBondContact CB-O 3.46Å; N99-D603 PolarHBondContact O-N 2.68Å; K152-D603 IonicContact NZ-OD2 2.7Å; K152-D603 PolarHBondContact NZ-OD2 2.72Å; N582-D603 PolarHBondContact OD1-OD2 2.74Å; D603-K605 PolarHBondContact O-N 3.34Å; D603-K605 WeakPolarHBondContact OD1-CG 3.36Å; D603-K605 PolarHBondContact OD1-N 3.12Å
604	F	98.1	Very high	93.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-86.2	4.7	-173.3	-77.9	-101	0	0	0	114.9	L96 L528 I533 V535 F549 M581 I583 I602 D606 I607 L608	L96-F604 HydrophobicContact CD1-CE1 4.45Å; L96-F604 HydrophobicContact CD2-CD1 4.03Å; L96-F604 HydrophobicContact CD2-CE1 4.07Å; L96-F604 HydrophobicContact CD2-CG 4.36Å; L96-F604 HydrophobicContact CD2-CZ 4.45Å; L528-F604 HydrophobicContact CD1-CD2 4.25Å; L528-F604 HydrophobicContact CD1-CE2 4.43Å; I533-F604 HydrophobicContact CD1-CB 3.42Å; I533-F604 VanDerWaalsContact CD1-CB 3.42Å; I533-F604 HydrophobicContact CD1-CD1 3.88Å; I533-F604 HydrophobicContact CD1-CG 3.78Å; I533-F604 HydrophobicContact CG1-CD1 4.49Å; I533-F604 HydrophobicContact CG2-CD1 4.4Å; I533-F604 HydrophobicContact CG2-CE1 4.4Å; V535-F604 HydrophobicContact CG2-CE2 4.15Å; V535-F604 HydrophobicContact CG2-CZ 4.08Å; F549-F604 HydrophobicContact CB-CE1 3.89Å; F549-F604 HydrophobicContact CB-CZ 4.17Å; F549-F604 HydrophobicContact CD1-CE1 4.22Å; F549-F604 HydrophobicContact CD2-CE1 4.06Å; F549-F604 AromaticContact CG-CE1 3.8Å; F549-F604 HydrophobicContact CG-CE1 3.8Å; F549-F604 HydrophobicContact CG-CZ 4.44Å; M581-F604 HydrophobicContact CB-CB 4.21Å; M581-F604 PolarHBondContact O-N 3.45Å; I583-F604 HydrophobicContact CG2-CD2 4.4Å; I583-F604 HydrophobicContact CG2-CE2 3.77Å; I602-F604 HydrophobicContact CB-CE2 4.23Å; I602-F604 HydrophobicContact CG2-CD2 4Å; I602-F604 HydrophobicContact CG2-CE2 3.65Å; I602-F604 HydrophobicContact CG2-CZ 4.2Å; F604-D606 PolarHBondContact O-N 2.67Å; F604-I607 HydrophobicContact CD1-CB 4.18Å; F604-I607 HydrophobicContact CD1-CG1 3.92Å; F604-I607 HydrophobicContact CD1-CG2 4.44Å; F604-I607 WeakPolarHBondContact O-CA 3.39Å; F604-I607 WeakPolarHBondContact O-CB 3.44Å; F604-I607 PolarHBondContact O-N 2.87Å; F604-L608 PolarHBondContact O-N 2.94Å; F604-L608 VanDerWaalsContact O-N 3.11Å
605	K	96.3	Very high	95.2	Very high	84 Å²	84	51.8 Å²	51.8	37%	0.365	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-48.1	-35.4	176.9	61.8	171.6	-172	-176.4	0	115	N99 M581 D603 I607 L608 E609	N99-K605 WeakPolarHBondContact OD1-CE 3.3Å; N99-K605 PolarHBondContact OD1-NZ 3.18Å; M581-K605 HydrophobicContact CE-CB 3.64Å; D603-K605 PolarHBondContact O-N 3.34Å; D603-K605 WeakPolarHBondContact OD1-CG 3.36Å; D603-K605 PolarHBondContact OD1-N 3.12Å; K605-I607 VanDerWaalsContact C-N 3.35Å; K605-L608 CarbonylContact O-C 3.53Å; K605-L608 PolarHBondContact O-N 2.93Å; K605-E609 WeakPolarHBondContact O-CA 3.39Å; K605-E609 PolarHBondContact O-N 3.17Å
606	D	96.5	Very high	96.1	Very high	49 Å²	49	49.2 Å²	49.2	26%	0.262	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-91.3	-3	-176.5	-64.4	-5.7	0	0	0	111.2	K95 N99 F604 E609	K95-D606 HydrophobicContact CB-CB 4.07Å; K95-D606 WeakPolarHBondContact CB-O 3.46Å; K95-D606 WeakPolarHBondContact CD-O 3.47Å; K95-D606 HydrophobicContact CG-CB 4.41Å; K95-D606 VanDerWaalsContact CG-O 3.26Å; K95-D606 WeakPolarHBondContact CG-O 3.48Å; K95-D606 PolarHBondContact NZ-O 3.26Å; N99-D606 PolarHBondContact ND2-OD2 3.1Å; F604-D606 PolarHBondContact O-N 2.67Å; D606-E609 WeakPolarHBondContact O-CG 3.47Å
607	I	96.1	Very high	96.6	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.036	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-45	161.8	-66.2	-65.8	0	0	0	109.5	V89 F92 K95 L96 F549 T551 F604 K605	V89-I607 HydrophobicContact CG1-CD1 4.07Å; V89-I607 HydrophobicContact CG1-CG2 4.34Å; V89-I607 HydrophobicContact CG2-CG2 4.39Å; F92-I607 HydrophobicContact CB-CD1 3.62Å; K95-I607 HydrophobicContact CB-CD1 4.11Å; K95-I607 HydrophobicContact CD-CD1 4.24Å; L96-I607 HydrophobicContact CD1-CD1 4.26Å; L96-I607 HydrophobicContact CD1-CG1 4.4Å; L96-I607 HydrophobicContact CD2-CD1 4.28Å; L96-I607 HydrophobicContact CD2-CG1 3.68Å; L96-I607 HydrophobicContact CG-CD1 3.98Å; L96-I607 HydrophobicContact CG-CG1 3.96Å; F549-I607 HydrophobicContact CE2-CG2 4.39Å; F549-I607 HydrophobicContact CZ-CD1 4.36Å; T551-I607 HydrophobicContact CG2-CG2 4.14Å; F604-I607 HydrophobicContact CD1-CB 4.18Å; F604-I607 HydrophobicContact CD1-CG1 3.92Å; F604-I607 HydrophobicContact CD1-CG2 4.44Å; F604-I607 WeakPolarHBondContact O-CA 3.39Å; F604-I607 WeakPolarHBondContact O-CB 3.44Å; F604-I607 PolarHBondContact O-N 2.87Å; K605-I607 VanDerWaalsContact C-N 3.35Å
608	L	95.1	Very high	96.9	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-101.1	53.4	178.1	-57.9	-175	0	0	0	112.5	I533 T551 M581 F604 K605 R610 V650 Q652	I533-L608 HydrophobicContact CD1-CD1 3.51Å; I533-L608 HydrophobicContact CD1-CG 3.92Å; I533-L608 HydrophobicContact CG1-CD1 3.85Å; I533-L608 HydrophobicContact CG1-CG 4.3Å; T551-L608 HydrophobicContact CG2-CD2 4.32Å; M581-L608 HydrophobicContact SD-CB 4.22Å; M581-L608 HydrophobicContact SD-CD1 4.22Å; F604-L608 PolarHBondContact O-N 2.94Å; F604-L608 VanDerWaalsContact O-N 3.11Å; K605-L608 CarbonylContact O-C 3.53Å; K605-L608 PolarHBondContact O-N 2.93Å; L608-R610 PolarHBondContact O-N 2.83Å; L608-V650 HydrophobicContact CD2-CG1 3.56Å; L608-Q652 HydrophobicContact CB-CB 4.04Å; L608-Q652 HydrophobicContact CD1-CB 4.38Å; L608-Q652 HydrophobicContact CD1-CG 4.47Å
609	E	93.8	Very high	97.1	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	26%	0.258	S	S	*	.			trans	-58.1	-11.4	-176.4	-70.1	170.2	158	0	0	115.5	K95 K605 D606	K95-E609 IonicContact NZ-OE1 3.21Å; K95-E609 PolarHBondContact NZ-OE1 2.84Å; K95-E609 IonicContact NZ-OE2 2.75Å; K95-E609 PolarHBondContact NZ-OE2 2.85Å; K605-E609 WeakPolarHBondContact O-CA 3.39Å; K605-E609 PolarHBondContact O-N 3.17Å; D606-E609 WeakPolarHBondContact O-CG 3.47Å
610	R	96	Very high	97.1	Very high	86 Å²	86	56.6 Å²	56.6	33%	0.325	27%	0.268	S	S	.	.	S	Bend	trans	-122.6	126.8	-175	-173.9	-168.7	66.7	97.8	-12.3	109.5	L608 E613 D616 C651 Q652	L608-R610 PolarHBondContact O-N 2.83Å; R610-E613 IonicContact NH1-OE1 3.09Å; R610-E613 PolarHBondContact NH1-OE1 3.41Å; R610-D616 IonicContact CZ-OD1 2.8Å; R610-D616 IonicContact CZ-OD2 3.84Å; R610-D616 IonicContact NH1-OD1 2.73Å; R610-D616 IonicContact NH1-OD2 3.27Å; R610-D616 PolarHBondContact NH1-OD2 2.91Å; R610-D616 VanDerWaalsContact NH2-CG 3.27Å; R610-D616 IonicContact NH2-OD1 2.86Å; R610-D616 PolarHBondContact NH2-OD1 2.82Å; R610-D616 IonicContact NH2-OD2 3.17Å; R610-D616 PolarHBondContact NH2-OD2 2.83Å; R610-C651 CarbonylContact O-C 3.59Å; R610-C651 WeakPolarHBondContact O-CA 3.27Å; R610-C651 WeakPolarHBondContact O-CB 3.44Å; R610-Q652 PolarHBondContact O-N 3.25Å
611	N	97.5	Very high	97.1	Very high	113 Å²	113	58.5 Å²	58.5	60%	0.604	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-68.3	148.6	170.4	-58	15.8	0	0	0	110.6	Q652	N611-Q652 CarbonylContact C-O 3.56Å; N611-Q652 WeakPolarHBondContact CA-O 3.41Å
612	C	97.4	Very high	97	Very high	23 Å²	23	58.5 Å²	58.5	16%	0.155	28%	0.279	C	S	.	.			trans	-71.3	146.9	177.2	-63.1	0	0	0	0	112.2	D616 Y617 L645 C651 Q652	C612-D616 HydrophobicContact CB-CB 4.21Å; C612-Y617 HydrophobicContact CB-CE2 3.79Å; C612-L645 VanDerWaalsContact SG-CD1 3.59Å; C612-C651 WeakPolarHBondContact CA-SG 3.46Å; C612-C651 HydrophobicContact CB-CB 3.98Å; C612-C651 WeakPolarHBondContact CB-SG 3.47Å; C612-C651 WeakPolarHBondContact SG-CB 3.47Å; C612-C651 PolarHBondContact SG-O 2.91Å; C612-C651 CovalentContact SG-SG 2.04Å; C612-C651 PolarHBondContact SG-SG 2.96Å; C612-Q652 PolarHBondContact N-O 2.81Å; C612-Q652 PolarHBondContact SG-O 2.75Å; C612-Q652 VanDerWaalsContact SG-O 3.39Å
613	E	97.1	Very high	96.9	Very high	93 Å²	93	58.8 Å²	58.8	44%	0.435	28%	0.28	S	S	.	.			trans	-118	167.3	175.6	-64.7	162	-118.1	0	0	109.5	R610 K615 D616 Y617	R610-E613 IonicContact NH1-OE1 3.09Å; R610-E613 PolarHBondContact NH1-OE1 3.41Å; E613-K615 HydrophobicContact CB-CD 4.32Å; E613-K615 HydrophobicContact CB-CG 4.19Å; E613-K615 PolarHBondContact O-N 3.06Å; E613-K615 WeakPolarHBondContact OE1-CE 3.34Å; E613-K615 IonicContact OE1-NZ 3.06Å; E613-K615 PolarHBondContact OE1-NZ 2.77Å; E613-K615 WeakPolarHBondContact OE2-CE 3.43Å; E613-K615 IonicContact OE2-NZ 3.73Å; E613-K615 PolarHBondContact OE2-NZ 2.89Å; E613-D616 PolarHBondContact N-OD2 3.39Å; E613-D616 VanDerWaalsContact O-CB 3.32Å; E613-D616 WeakPolarHBondContact O-CB 3.22Å; E613-D616 PolarHBondContact O-N 2.61Å; E613-Y617 VanDerWaalsContact O-CD2 3.31Å; E613-Y617 WeakPolarHBondContact O-CD2 3.09Å
614	E	96.1	Very high	96.8	Very high	184 Å²	184	60.3 Å²	60.3	86%	0.86	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-50.1	-35	-179.2	-63.1	-178.5	166.6	0	0	113.9	D616 Y617	E614-D616 PolarHBondContact O-N 2.56Å; E614-Y617 PolarHBondContact O-N 2.88Å
615	K	96.9	Very high	96.6	Very high	119 Å²	119	65.1 Å²	65.1	52%	0.517	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-60.9	-29.7	177.2	75.1	-163.3	178.7	-158.8	0	113.8	E613 Y617 R646	E613-K615 HydrophobicContact CB-CD 4.32Å; E613-K615 HydrophobicContact CB-CG 4.19Å; E613-K615 PolarHBondContact O-N 3.06Å; E613-K615 WeakPolarHBondContact OE1-CE 3.34Å; E613-K615 IonicContact OE1-NZ 3.06Å; E613-K615 PolarHBondContact OE1-NZ 2.77Å; E613-K615 WeakPolarHBondContact OE2-CE 3.43Å; E613-K615 IonicContact OE2-NZ 3.73Å; E613-K615 PolarHBondContact OE2-NZ 2.89Å; K615-Y617 VanDerWaalsContact C-N 3.25Å; K615-Y617 PolarHBondContact O-N 2.86Å; K615-R646 PolarHBondContact O-NE 2.74Å
616	D	97.4	Very high	96.4	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.032	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-77.2	-16	-177.1	-65.2	-66.7	0	0	0	112.1	R610 C612 E613 E614 L645 R646 S649	R610-D616 IonicContact CZ-OD1 2.8Å; R610-D616 IonicContact CZ-OD2 3.84Å; R610-D616 IonicContact NH1-OD1 2.73Å; R610-D616 IonicContact NH1-OD2 3.27Å; R610-D616 PolarHBondContact NH1-OD2 2.91Å; R610-D616 VanDerWaalsContact NH2-CG 3.27Å; R610-D616 IonicContact NH2-OD1 2.86Å; R610-D616 PolarHBondContact NH2-OD1 2.82Å; R610-D616 IonicContact NH2-OD2 3.17Å; R610-D616 PolarHBondContact NH2-OD2 2.83Å; C612-D616 HydrophobicContact CB-CB 4.21Å; E613-D616 PolarHBondContact N-OD2 3.39Å; E613-D616 VanDerWaalsContact O-CB 3.32Å; E613-D616 WeakPolarHBondContact O-CB 3.22Å; E613-D616 PolarHBondContact O-N 2.61Å; E614-D616 PolarHBondContact O-N 2.56Å; D616-L645 HydrophobicContact CB-CD1 4.05Å; D616-R646 WeakPolarHBondContact O-CB 3.3Å; D616-R646 WeakPolarHBondContact O-CD 3.41Å; D616-R646 WeakPolarHBondContact O-CG 3.41Å; D616-R646 PolarHBondContact O-N 3.44Å; D616-S649 WeakPolarHBondContact CA-OG 3.18Å; D616-S649 VanDerWaalsContact OD1-CB 3.24Å; D616-S649 WeakPolarHBondContact OD1-CB 3.42Å; D616-S649 PolarHBondContact OD1-OG 2.94Å
617	Y	97.7	Very high	96.2	Very high	37 Å²	37	68 Å²	68	15%	0.145	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	155.5	175.4	-60.3	-89	0	0	0	111.6	C612 E613 E614 K615 R644 L645 R646 N653 Y657	C612-Y617 HydrophobicContact CB-CE2 3.79Å; E613-Y617 VanDerWaalsContact O-CD2 3.31Å; E613-Y617 WeakPolarHBondContact O-CD2 3.09Å; E614-Y617 PolarHBondContact O-N 2.88Å; K615-Y617 VanDerWaalsContact C-N 3.25Å; K615-Y617 PolarHBondContact O-N 2.86Å; Y617-R644 CarbonylContact C-O 3.58Å; Y617-R644 WeakPolarHBondContact CA-O 3.45Å; Y617-L645 HydrophobicContact CD1-CB 4.49Å; Y617-L645 HydrophobicContact CE1-CB 4.33Å; Y617-R646 VanDerWaalsContact O-CZ 3.28Å; Y617-R646 PolarHBondContact O-NE 2.87Å; Y617-R646 PolarHBondContact O-NH2 2.81Å; Y617-N653 PolarHBondContact OH-OD1 3.1Å; Y617-N653 VanDerWaalsContact OH-OD1 3.06Å; Y617-Y657 AromaticContact CE1-CE2 3.88Å; Y617-Y657 HydrophobicContact CE1-CE2 3.88Å
618	T	97.6	Very high	96	Very high	53 Å²	53	76.4 Å²	76.4	33%	0.325	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.4	173.3	-166	0	0	0	0	110.3	L643 R644 R646	T618-L643 WeakPolarHBondContact O-CA 3.39Å; T618-R644 PolarHBondContact N-O 3.37Å; T618-R644 PolarHBondContact O-N 2.78Å; T618-R646 HydrophobicContact CG2-CG 4.27Å
619	I	97.6	Very high	95.8	Very high	118 Å²	118	80.3 Å²	80.3	61%	0.605	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.8	171.5	-58.1	171.7	0	0	0	108.2	F642 L643	I619-F642 CarbonylContact C-O 3.45Å; I619-F642 WeakPolarHBondContact CA-O 3.48Å; I619-L643 HydrophobicContact CG1-CD2 3.82Å
620	W	97.8	Very high	95.6	Very high	57 Å²	57	82 Å²	82	22%	0.216	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.2	173.9	178	75.1	0	0	0	109.8	L410 V485 D510 A622 Q641 F642	L410-W620 HydrophobicContact CD1-CH2 3.86Å; L410-W620 HydrophobicContact CD1-CZ3 4Å; L410-W620 HydrophobicContact CD2-CH2 4.35Å; V485-W620 HydrophobicContact CG1-CE3 4.29Å; V485-W620 HydrophobicContact CG1-CZ3 3.8Å; D510-W620 HydrophobicContact CB-CZ2 4.13Å; W620-A622 HydrophobicContact CE3-CB 4.31Å; W620-A622 HydrophobicContact CH2-CB 4.02Å; W620-A622 HydrophobicContact CZ3-CB 3.7Å; W620-Q641 CarbonylContact O-C 3.6Å; W620-Q641 WeakPolarHBondContact O-CA 3.41Å; W620-F642 HydrophobicContact CE3-CB 4.26Å; W620-F642 AromaticContact CE3-CD2 3.96Å; W620-F642 HydrophobicContact CE3-CD2 3.96Å; W620-F642 HydrophobicContact CE3-CG 4.33Å; W620-F642 HydrophobicContact CZ3-CD2 4.07Å; W620-F642 HydrophobicContact CZ3-CE2 4.41Å; W620-F642 PolarHBondContact N-O 3.27Å; W620-F642 PolarHBondContact O-N 2.72Å
621	L	97.9	Very high	95.3	Very high	45 Å²	45	82.1 Å²	82.1	24%	0.236	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.1	173.9	174.7	59.6	0	0	0	108.9	D632 K639 Q641	L621-D632 WeakPolarHBondContact CD2-OD2 3.44Å; L621-K639 HydrophobicContact CD1-CB 4.01Å; L621-K639 HydrophobicContact CD1-CD 4.41Å; L621-Q641 HydrophobicContact CD1-CG 3.99Å
622	A	97.5	Very high	95.2	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	148.3	173.8	0	0	0	0	0	111.4	L410 W620 S624 E640 F642	L410-A622 HydrophobicContact CD1-CB 3.93Å; W620-A622 HydrophobicContact CE3-CB 4.31Å; W620-A622 HydrophobicContact CH2-CB 4.02Å; W620-A622 HydrophobicContact CZ3-CB 3.7Å; A622-S624 PolarHBondContact O-N 2.75Å; A622-S624 VanDerWaalsContact O-N 3.14Å; A622-E640 HydrophobicContact CB-CB 4.49Å; A622-E640 WeakPolarHBondContact CB-O 3.43Å; A622-E640 PolarHBondContact N-O 2.81Å; A622-F642 HydrophobicContact CB-CD2 4.05Å; A622-F642 HydrophobicContact CB-CE2 3.7Å
623	H	97	Very high	95	Very high	5 Å²	5	76 Å²	76	2%	0.023	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	17	177.1	-52.9	-87.2	0	0	0	115.5	R411 Y513 G633 I635	R411-H623 PolarHBondContact O-CE1 2.92Å; R411-H623 PolarHBondContact O-NE2 2.79Å; Y513-H623 HydrophobicContact CE2-CB 4.32Å; Y513-H623 AromaticContact CE2-ND1 3.61Å; Y513-H623 AromaticContact CZ-ND1 3.72Å; Y513-H623 VanDerWaalsContact OH-CB 3.31Å; Y513-H623 WeakPolarHBondContact OH-CB 3.36Å; Y513-H623 PolarHBondContact OH-ND1 2.69Å; H623-G633 WeakPolarHBondContact O-CA 3.3Å; H623-I635 HydrophobicContact CB-CG1 3.72Å
624	S	96.4	Very high	94.9	Very high	48 Å²	48	73.3 Å²	73.3	34%	0.336	37%	0.37	S	S	.	.			trans	-63.6	133.4	176.7	-173.7	0	0	0	0	111.5	A622 D632	A622-S624 PolarHBondContact O-N 2.75Å; A622-S624 VanDerWaalsContact O-N 3.14Å; S624-D632 WeakPolarHBondContact CA-OD1 3.32Å; S624-D632 WeakPolarHBondContact CA-OD2 3.47Å; S624-D632 VanDerWaalsContact CB-OD2 3.26Å; S624-D632 WeakPolarHBondContact CB-OD2 3.25Å; S624-D632 PolarHBondContact OG-OD2 3.05Å
625	T	92.3	Very high	94.7	Very high	101 Å²	101	65.6 Å²	65.6	62%	0.62	34%	0.335	S	S	*	.	S	Bend	trans	-138.7	-34.3	-175	50.6	0	0	0	0	113.2	Y513 D632	Y513-T625 HydrophobicContact CD1-CG2 3.95Å; Y513-T625 HydrophobicContact CE1-CG2 3.58Å; T625-D632 PolarHBondContact N-OD1 2.63Å; T625-D632 PolarHBondContact OG1-OD1 3.08Å
626	D	92.5	Very high	94.5	Very high	89 Å²	89	60.5 Å²	60.5	48%	0.476	31%	0.313	S	S	.	.			trans	-142.2	97	168.9	-170.8	-13.2	0	0	0	109.6	E628 D629 D632	D626-E628 PolarHBondContact O-N 3.14Å; D626-E628 PolarHBondContact OD1-N 2.78Å; D626-D629 HydrophobicContact CB-CB 4.4Å; D626-D629 WeakPolarHBondContact O-CB 3.22Å; D626-D629 PolarHBondContact O-N 3.21Å; D626-D632 PolarHBondContact N-OD1 2.59Å; D626-D632 VanDerWaalsContact O-CB 3.26Å; D626-D632 WeakPolarHBondContact O-CB 3.26Å; D626-D632 VanDerWaalsContact O-CG 3.22Å
627	P	91.8	Very high	94.3	Very high	103 Å²	103	60.2 Å²	60.2	67%	0.669	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-9.3	-176.1	-26.3	35.9	0	0	0	116.3
628	E	92.4	Very high	94.1	Very high	184 Å²	184	59.4 Å²	59.4	86%	0.86	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.8	173.9	-58	-73.2	145.2	0	0	112.3	D626	D626-E628 PolarHBondContact O-N 3.14Å; D626-E628 PolarHBondContact OD1-N 2.78Å
629	D	91.7	Very high	94.1	Very high	86 Å²	86	58.4 Å²	58.4	46%	0.46	30%	0.3	S	S	.	.			trans	-81.1	135.9	177.8	-172.9	7.4	0	0	0	112.2	D626 E631 D632	D626-D629 HydrophobicContact CB-CB 4.4Å; D626-D629 WeakPolarHBondContact O-CB 3.22Å; D626-D629 PolarHBondContact O-N 3.21Å; D629-E631 PolarHBondContact O-N 3.29Å; D629-E631 PolarHBondContact OD1-N 3.42Å; D629-D632 HydrophobicContact CB-CB 4.27Å; D629-D632 WeakPolarHBondContact O-CB 3.13Å; D629-D632 PolarHBondContact O-N 2.83Å
630	Y	88.6	Confident	94.1	Very high	172 Å²	172	53.1 Å²	53.1	68%	0.675	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.9	172.4	-177.1	-102.1	0	0	0	112.2	K639	Y630-K639 VanDerWaalsContact O-CE 3.32Å; Y630-K639 WeakPolarHBondContact O-CE 3.26Å; Y630-K639 PolarHBondContact O-NZ 3Å
631	E	90.3	Very high	94	Very high	88 Å²	88	53.9 Å²	53.9	41%	0.411	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5	-179.3	-60	-170.9	163.4	0	0	113.4	D629 G633 C634	D629-E631 PolarHBondContact O-N 3.29Å; D629-E631 PolarHBondContact OD1-N 3.42Å; E631-G633 PolarHBondContact O-N 2.91Å; E631-C634 WeakPolarHBondContact O-CB 3.3Å; E631-C634 PolarHBondContact O-N 2.94Å; E631-C634 PolarHBondContact O-SG 2.9Å
632	D	94.4	Very high	94	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	125.4	-178	-171.2	45.1	0	0	0	114.4	L621 S624 T625 D626 D629 C634 K639	L621-D632 WeakPolarHBondContact CD2-OD2 3.44Å; S624-D632 WeakPolarHBondContact CA-OD1 3.32Å; S624-D632 WeakPolarHBondContact CA-OD2 3.47Å; S624-D632 VanDerWaalsContact CB-OD2 3.26Å; S624-D632 WeakPolarHBondContact CB-OD2 3.25Å; S624-D632 PolarHBondContact OG-OD2 3.05Å; T625-D632 PolarHBondContact N-OD1 2.63Å; T625-D632 PolarHBondContact OG1-OD1 3.08Å; D626-D632 PolarHBondContact N-OD1 2.59Å; D626-D632 VanDerWaalsContact O-CB 3.26Å; D626-D632 WeakPolarHBondContact O-CB 3.26Å; D626-D632 VanDerWaalsContact O-CG 3.22Å; D629-D632 HydrophobicContact CB-CB 4.27Å; D629-D632 WeakPolarHBondContact O-CB 3.13Å; D629-D632 PolarHBondContact O-N 2.83Å; D632-C634 VanDerWaalsContact C-N 3.28Å; D632-C634 PolarHBondContact O-N 3.11Å; D632-K639 VanDerWaalsContact N-NZ 3.18Å; D632-K639 WeakPolarHBondContact O-CD 3.36Å; D632-K639 WeakPolarHBondContact O-CE 3.39Å; D632-K639 PolarHBondContact O-NZ 2.76Å
633	G	93.4	Very high	94	Very high	5 Å²	5	55.7 Å²	55.7	5%	0.052	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	9.7	-176.7	0	0	0	0	0	115.8	H623 E631 I635 K639	H623-G633 WeakPolarHBondContact O-CA 3.3Å; E631-G633 PolarHBondContact O-N 2.91Å; G633-I635 PolarHBondContact O-N 2.81Å; G633-K639 WeakPolarHBondContact O-CA 3.28Å
634	C	94.7	Very high	94	Very high	35 Å²	35	56.1 Å²	56.1	24%	0.236	29%	0.288	C	S	.	.			trans	-68.2	110	166.6	-71	0	0	0	0	110	E631 D632 K639 C666	E631-C634 WeakPolarHBondContact O-CB 3.3Å; E631-C634 PolarHBondContact O-N 2.94Å; E631-C634 PolarHBondContact O-SG 2.9Å; D632-C634 VanDerWaalsContact C-N 3.28Å; D632-C634 PolarHBondContact O-N 3.11Å; C634-K639 WeakPolarHBondContact SG-CE 3.39Å; C634-C666 HydrophobicContact CB-CB 3.96Å; C634-C666 WeakPolarHBondContact CB-SG 3.23Å; C634-C666 WeakPolarHBondContact SG-CB 3.47Å; C634-C666 CovalentContact SG-SG 2.03Å; C634-C666 PolarHBondContact SG-SG 2.91Å
635	I	93.5	Very high	94.1	Very high	23 Å²	23	55.1 Å²	55.1	12%	0.118	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-127.4	123.7	173.7	-69.8	-63.9	0	0	0	108.9	R411 F431 H623 G633 G637 Y638	R411-I635 PolarHBondContact NH1-O 3.42Å; R411-I635 PolarHBondContact NH2-O 2.93Å; F431-I635 WeakPolarHBondContact O-CG2 3.45Å; H623-I635 HydrophobicContact CB-CG1 3.72Å; G633-I635 PolarHBondContact O-N 2.81Å; I635-G637 VanDerWaalsContact C-N 3.29Å; I635-G637 PolarHBondContact O-N 3.06Å; I635-Y638 PolarHBondContact N-O 3.46Å; I635-Y638 VanDerWaalsContact N-O 3.13Å; I635-Y638 PolarHBondContact O-N 2.74Å; I635-Y638 VanDerWaalsContact O-O 3.05Å
636	L	91.9	Very high	94.3	Very high	11 Å²	11	55 Å²	55	6%	0.058	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	49.7	-172.2	-50.9	169.1	0	0	0	110.9	Q433 Y638 I718 D721 K722	Q433-L636 HydrophobicContact CB-CD1 4.09Å; Q433-L636 HydrophobicContact CB-CD2 4.49Å; L636-Y638 VanDerWaalsContact C-N 3.33Å; L636-Y638 VanDerWaalsContact O-CD1 3.26Å; L636-Y638 WeakPolarHBondContact O-CD1 3.35Å; L636-Y638 PolarHBondContact O-N 3.17Å; L636-I718 HydrophobicContact CD2-CB 4.15Å; L636-I718 HydrophobicContact CD2-CD1 4.17Å; L636-I718 HydrophobicContact CD2-CG2 3.55Å; L636-D721 VanDerWaalsContact C-CG 3.46Å; L636-D721 WeakPolarHBondContact CA-OD2 3.18Å; L636-D721 HydrophobicContact CB-CB 4.28Å; L636-D721 WeakPolarHBondContact O-CA 2.92Å; L636-K722 PolarHBondContact O-N 2.95Å
637	G	92.7	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	6.2	174.2	0	0	0	0	0	118	I635 C666 D672 D721 C723	I635-G637 VanDerWaalsContact C-N 3.29Å; I635-G637 PolarHBondContact O-N 3.06Å; G637-C666 WeakPolarHBondContact O-CB 3.12Å; G637-C666 PolarHBondContact O-N 3.25Å; G637-D672 WeakPolarHBondContact CA-OD1 3.37Å; G637-D672 PolarHBondContact N-OD1 2.85Å; G637-D672 VanDerWaalsContact N-OD1 3.13Å; G637-D721 PolarHBondContact N-OD2 2.75Å; G637-C723 WeakPolarHBondContact O-CA 3.23Å; G637-C723 PolarHBondContact O-N 3.3Å
638	Y	95.1	Very high	94.6	Very high	20 Å²	20	53.5 Å²	53.5	8%	0.078	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.6	172	67.1	-75	0	0	0	114.1	R411 I635 L636 E640 P663 S664 K722	R411-Y638 WeakPolarHBondContact CD-OH 3.16Å; R411-Y638 PolarHBondContact NE-OH 3Å; R411-Y638 PolarHBondContact NH2-O 2.78Å; R411-Y638 VanDerWaalsContact NH2-O 3.09Å; I635-Y638 PolarHBondContact N-O 3.46Å; I635-Y638 VanDerWaalsContact N-O 3.13Å; I635-Y638 PolarHBondContact O-N 2.74Å; I635-Y638 VanDerWaalsContact O-O 3.05Å; L636-Y638 VanDerWaalsContact C-N 3.33Å; L636-Y638 VanDerWaalsContact O-CD1 3.26Å; L636-Y638 WeakPolarHBondContact O-CD1 3.35Å; L636-Y638 PolarHBondContact O-N 3.17Å; Y638-E640 HydrophobicContact CD2-CG 3.78Å; Y638-E640 HydrophobicContact CE2-CG 3.61Å; Y638-P663 HydrophobicContact CD2-CB 4.01Å; Y638-P663 HydrophobicContact CE2-CB 4.49Å; Y638-S664 CarbonylContact C-O 3.51Å; Y638-S664 WeakPolarHBondContact CA-O 3.43Å; Y638-S664 WeakPolarHBondContact CB-O 3.42Å; Y638-K722 HydrophobicContact CD1-CB 3.72Å; Y638-K722 HydrophobicContact CD1-CD 4.12Å; Y638-K722 HydrophobicContact CD1-CG 4.17Å; Y638-K722 HydrophobicContact CE1-CB 4.07Å; Y638-K722 HydrophobicContact CE1-CD 3.6Å; Y638-K722 HydrophobicContact CE1-CG 3.97Å; Y638-K722 PolarHBondContact OH-NZ 2.83Å
639	K	96.2	Very high	94.7	Very high	33 Å²	33	45.5 Å²	45.5	14%	0.143	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	154.4	169.6	-41.1	-171.9	174.1	-153.3	0	110.5	L621 Y630 D632 G633 C634 P663 S664	L621-K639 HydrophobicContact CD1-CB 4.01Å; L621-K639 HydrophobicContact CD1-CD 4.41Å; Y630-K639 VanDerWaalsContact O-CE 3.32Å; Y630-K639 WeakPolarHBondContact O-CE 3.26Å; Y630-K639 PolarHBondContact O-NZ 3Å; D632-K639 VanDerWaalsContact N-NZ 3.18Å; D632-K639 WeakPolarHBondContact O-CD 3.36Å; D632-K639 WeakPolarHBondContact O-CE 3.39Å; D632-K639 PolarHBondContact O-NZ 2.76Å; G633-K639 WeakPolarHBondContact O-CA 3.28Å; C634-K639 WeakPolarHBondContact SG-CE 3.39Å; K639-P663 CarbonylContact O-C 3.59Å; K639-P663 VanDerWaalsContact O-CA 3.3Å; K639-P663 WeakPolarHBondContact O-CA 3.29Å; K639-S664 PolarHBondContact N-O 3.27Å; K639-S664 PolarHBondContact O-N 3.35Å
640	E	97.1	Very high	94.8	Very high	6 Å²	6	44 Å²	44	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.6	170.3	-67	-175.8	104.6	0	0	110.7	R411 A622 Y638 F642 K661	R411-E640 IonicContact CZ-OE2 2.72Å; R411-E640 IonicContact NE-OE2 3.3Å; R411-E640 PolarHBondContact NE-OE2 2.68Å; R411-E640 IonicContact NH2-OE2 2.74Å; A622-E640 HydrophobicContact CB-CB 4.49Å; A622-E640 WeakPolarHBondContact CB-O 3.43Å; A622-E640 PolarHBondContact N-O 2.81Å; Y638-E640 HydrophobicContact CD2-CG 3.78Å; Y638-E640 HydrophobicContact CE2-CG 3.61Å; E640-F642 HydrophobicContact CB-CD2 4.26Å; E640-F642 HydrophobicContact CB-CE2 3.57Å; E640-F642 HydrophobicContact CB-CZ 4.24Å; E640-K661 WeakPolarHBondContact OE1-CD 3.41Å; E640-K661 WeakPolarHBondContact OE1-CE 3.44Å; E640-K661 IonicContact OE1-NZ 2.66Å; E640-K661 PolarHBondContact OE1-NZ 3.13Å
641	Q	97.4	Very high	95.2	Very high	74 Å²	74	35.8 Å²	35.8	35%	0.346	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.9	172.7	-68.5	179.1	64.5	0	0	109.3	W620 L621 K661 Q662	W620-Q641 CarbonylContact O-C 3.6Å; W620-Q641 WeakPolarHBondContact O-CA 3.41Å; L621-Q641 HydrophobicContact CD1-CG 3.99Å; Q641-K661 CarbonylContact O-C 3.45Å; Q641-K661 WeakPolarHBondContact O-CA 3.28Å; Q641-Q662 PolarHBondContact N-O 3.35Å; Q641-Q662 PolarHBondContact O-N 2.85Å
642	F	97.8	Very high	95.6	Very high	13 Å²	13	33.3 Å²	33.3	6%	0.057	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	153	-178.6	-68.7	-103.3	0	0	0	111.4	V485 I619 W620 A622 E640 R644 V659 T660 K661	V485-F642 HydrophobicContact CB-CD1 4.38Å; V485-F642 HydrophobicContact CG1-CD1 3.67Å; V485-F642 HydrophobicContact CG1-CD2 4.36Å; V485-F642 HydrophobicContact CG1-CE1 3.72Å; V485-F642 HydrophobicContact CG1-CE2 4.43Å; V485-F642 HydrophobicContact CG1-CG 4Å; V485-F642 HydrophobicContact CG1-CZ 4.13Å; V485-F642 HydrophobicContact CG2-CD1 3.86Å; V485-F642 HydrophobicContact CG2-CE1 3.94Å; I619-F642 CarbonylContact C-O 3.45Å; I619-F642 WeakPolarHBondContact CA-O 3.48Å; W620-F642 HydrophobicContact CE3-CB 4.26Å; W620-F642 AromaticContact CE3-CD2 3.96Å; W620-F642 HydrophobicContact CE3-CD2 3.96Å; W620-F642 HydrophobicContact CE3-CG 4.33Å; W620-F642 HydrophobicContact CZ3-CD2 4.07Å; W620-F642 HydrophobicContact CZ3-CE2 4.41Å; W620-F642 PolarHBondContact N-O 3.27Å; W620-F642 PolarHBondContact O-N 2.72Å; A622-F642 HydrophobicContact CB-CD2 4.05Å; A622-F642 HydrophobicContact CB-CE2 3.7Å; E640-F642 HydrophobicContact CB-CD2 4.26Å; E640-F642 HydrophobicContact CB-CE2 3.57Å; E640-F642 HydrophobicContact CB-CZ 4.24Å; F642-R644 HydrophobicContact CB-CG 4.22Å; F642-V659 HydrophobicContact CD1-CG1 3.6Å; F642-V659 HydrophobicContact CE1-CG1 3.64Å; F642-T660 WeakPolarHBondContact CA-O 3.3Å; F642-K661 HydrophobicContact CD1-CB 3.71Å; F642-K661 HydrophobicContact CD1-CD 4.25Å; F642-K661 HydrophobicContact CD2-CB 4.49Å; F642-K661 HydrophobicContact CE1-CB 3.87Å; F642-K661 HydrophobicContact CE1-CD 3.53Å; F642-K661 HydrophobicContact CE1-CG 4.31Å; F642-K661 HydrophobicContact CG-CB 4.06Å; F642-K661 HydrophobicContact CZ-CB 4.31Å; F642-K661 HydrophobicContact CZ-CD 3.7Å
643	L	97.7	Very high	95.7	Very high	69 Å²	69	34 Å²	34	36%	0.361	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.4	155	-66	-177.9	0	0	0	108.2	T618 I619 T660	T618-L643 WeakPolarHBondContact O-CA 3.39Å; I619-L643 HydrophobicContact CG1-CD2 3.82Å; L643-T660 HydrophobicContact CD1-CG2 3.88Å; L643-T660 HydrophobicContact CG-CG2 4.23Å; L643-T660 PolarHBondContact N-O 3.08Å
644	R	96.8	Very high	95.8	Very high	14 Å²	14	34.2 Å²	34.2	5%	0.053	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.3	177.4	-78.3	-179.4	61.2	-178.5	0.3	111.1	V485 D509 E553 Y617 T618 F642 R646	V485-R644 HydrophobicContact CB-CG 4.23Å; V485-R644 HydrophobicContact CG1-CG 4.38Å; V485-R644 PolarHBondContact O-NE 2.67Å; V485-R644 PolarHBondContact O-NH2 3.04Å; D509-R644 PolarHBondContact O-NH1 3.07Å; D509-R644 PolarHBondContact O-NH2 2.81Å; E553-R644 VanDerWaalsContact CD-NH2 3.31Å; E553-R644 IonicContact OE1-CZ 2.66Å; E553-R644 IonicContact OE1-NE 3.34Å; E553-R644 IonicContact OE1-NH2 2.7Å; E553-R644 PolarHBondContact OE1-NH2 2.92Å; E553-R644 IonicContact OE2-NH2 2.73Å; E553-R644 PolarHBondContact OE2-NH2 3.15Å; E553-R644 VanDerWaalsContact OE2-NH2 3.15Å; Y617-R644 CarbonylContact C-O 3.58Å; Y617-R644 WeakPolarHBondContact CA-O 3.45Å; T618-R644 PolarHBondContact N-O 3.37Å; T618-R644 PolarHBondContact O-N 2.78Å; F642-R644 HydrophobicContact CB-CG 4.22Å; R644-R646 PolarHBondContact O-N 3.48Å
645	L	97.3	Very high	95.7	Very high	27 Å²	27	36.2 Å²	36.2	14%	0.141	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.3	174.7	-178.7	58.6	0	0	0	109.9	C612 D616 Y617	C612-L645 VanDerWaalsContact SG-CD1 3.59Å; D616-L645 HydrophobicContact CB-CD1 4.05Å; Y617-L645 HydrophobicContact CD1-CB 4.49Å; Y617-L645 HydrophobicContact CE1-CB 4.33Å
646	R	97.4	Very high	95.8	Very high	99 Å²	99	41.9 Å²	41.9	37%	0.374	21%	0.212	S	C	.	.			trans	-70.7	132.2	172.2	-66.7	164.9	-168.9	-67.6	-13.2	108.9	K615 D616 Y617 T618 R644 S648 S649	K615-R646 PolarHBondContact O-NE 2.74Å; D616-R646 WeakPolarHBondContact O-CB 3.3Å; D616-R646 WeakPolarHBondContact O-CD 3.41Å; D616-R646 WeakPolarHBondContact O-CG 3.41Å; D616-R646 PolarHBondContact O-N 3.44Å; Y617-R646 VanDerWaalsContact O-CZ 3.28Å; Y617-R646 PolarHBondContact O-NE 2.87Å; Y617-R646 PolarHBondContact O-NH2 2.81Å; T618-R646 HydrophobicContact CG2-CG 4.27Å; R644-R646 PolarHBondContact O-N 3.48Å; R646-S648 PolarHBondContact O-N 3.18Å; R646-S649 WeakPolarHBondContact O-CB 3.38Å; R646-S649 PolarHBondContact O-N 2.99Å
647	K	95.1	Very high	96	Very high	57 Å²	57	42.5 Å²	42.5	25%	0.248	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-29.3	171.8	-61.5	177.5	-177.5	171.9	0	113.8	D509 D552 E553 Q555	D509-K647 WeakPolarHBondContact OD2-CE 3.32Å; D509-K647 IonicContact OD2-NZ 2.68Å; D509-K647 PolarHBondContact OD2-NZ 2.66Å; D552-K647 HydrophobicContact CB-CB 4.16Å; D552-K647 WeakPolarHBondContact CB-O 3.46Å; E553-K647 HydrophobicContact CB-CD 4.46Å; E553-K647 HydrophobicContact CB-CG 4.24Å; E553-K647 HydrophobicContact CG-CG 4.13Å; E553-K647 WeakPolarHBondContact OE2-CE 3.32Å; E553-K647 WeakPolarHBondContact OE2-CG 3.11Å; E553-K647 IonicContact OE2-NZ 2.75Å; Q555-K647 HydrophobicContact CG-CD 4.43Å
648	S	93.9	Very high	96.1	Very high	104 Å²	104	47.6 Å²	47.6	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.8	175.5	61.7	0	0	0	0	115.1	R646	R646-S648 PolarHBondContact O-N 3.18Å
649	S	95	Very high	96.2	Very high	15 Å²	15	48.3 Å²	48.3	11%	0.105	25%	0.252	C	S	.	.			trans	-99.6	87.9	-173.7	-83.5	0	0	0	0	110.9	D616 R646 C651	D616-S649 WeakPolarHBondContact CA-OG 3.18Å; D616-S649 VanDerWaalsContact OD1-CB 3.24Å; D616-S649 WeakPolarHBondContact OD1-CB 3.42Å; D616-S649 PolarHBondContact OD1-OG 2.94Å; R646-S649 WeakPolarHBondContact O-CB 3.38Å; R646-S649 PolarHBondContact O-N 2.99Å; S649-C651 PolarHBondContact O-N 2.98Å
650	V	95.2	Very high	96.2	Very high	54 Å²	54	50 Å²	50	33%	0.327	27%	0.265	S	S	.	.			trans	-69.6	101.9	170.6	-173.3	0	0	0	0	109	V89 L608	V89-V650 HydrophobicContact CG2-CG1 4.4Å; L608-V650 HydrophobicContact CD2-CG1 3.56Å
651	C	96.3	Very high	96.2	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	29%	0.285	C	S	.	.			trans	-161.4	164.2	175.5	54.6	0	0	0	0	111.6	R610 C612 S649	R610-C651 CarbonylContact O-C 3.59Å; R610-C651 WeakPolarHBondContact O-CA 3.27Å; R610-C651 WeakPolarHBondContact O-CB 3.44Å; C612-C651 WeakPolarHBondContact CA-SG 3.46Å; C612-C651 HydrophobicContact CB-CB 3.98Å; C612-C651 WeakPolarHBondContact CB-SG 3.47Å; C612-C651 WeakPolarHBondContact SG-CB 3.47Å; C612-C651 PolarHBondContact SG-O 2.91Å; C612-C651 CovalentContact SG-SG 2.04Å; C612-C651 PolarHBondContact SG-SG 2.96Å; S649-C651 PolarHBondContact O-N 2.98Å
652	Q	97.8	Very high	96.1	Very high	35 Å²	35	57.4 Å²	57.4	16%	0.164	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-85.3	125.8	175.2	-160.2	-165.1	-11.7	0	0	111.5	D529 M581 L608 R610 N611 C612	D529-Q652 WeakPolarHBondContact OD1-CG 3.26Å; D529-Q652 PolarHBondContact OD1-NE2 3.09Å; D529-Q652 WeakPolarHBondContact OD2-CA 3.48Å; D529-Q652 WeakPolarHBondContact OD2-CG 3.36Å; M581-Q652 HydrophobicContact CE-CG 4.19Å; M581-Q652 VanDerWaalsContact CE-OE1 3.29Å; M581-Q652 VanDerWaalsContact SD-CD 3.56Å; M581-Q652 HydrophobicContact SD-CG 3.71Å; L608-Q652 HydrophobicContact CB-CB 4.04Å; L608-Q652 HydrophobicContact CD1-CB 4.38Å; L608-Q652 HydrophobicContact CD1-CG 4.47Å; R610-Q652 PolarHBondContact O-N 3.25Å; N611-Q652 CarbonylContact C-O 3.56Å; N611-Q652 WeakPolarHBondContact CA-O 3.41Å; C612-Q652 PolarHBondContact N-O 2.81Å; C612-Q652 PolarHBondContact SG-O 2.75Å; C612-Q652 VanDerWaalsContact SG-O 3.39Å
653	N	97.2	Very high	96	Very high	19 Å²	19	61 Å²	61	10%	0.102	32%	0.322	C	S	.	.			trans	-64.1	-43	168.7	-71.9	-58.6	0	0	0	111.5	D529 Y617 Y657	D529-N653 PolarHBondContact O-ND2 3.01Å; D529-N653 PolarHBondContact OD2-N 2.9Å; Y617-N653 PolarHBondContact OH-OD1 3.1Å; Y617-N653 VanDerWaalsContact OH-OD1 3.06Å; N653-Y657 HydrophobicContact CB-CD1 4.48Å; N653-Y657 HydrophobicContact CB-CD2 4.09Å; N653-Y657 HydrophobicContact CB-CG 3.96Å
654	G	94.9	Very high	96	Very high	9 Å²	9	59.7 Å²	59.7	9%	0.093	32%	0.319	C	S	.	.			trans	102.8	155.1	177.7	0	0	0	0	0	114.1	D529 D656 Y657	D529-G654 PolarHBondContact OD1-N 2.94Å; G654-D656 PolarHBondContact O-N 3.17Å; G654-Y657 WeakPolarHBondContact O-CB 3.22Å; G654-Y657 PolarHBondContact O-N 2.96Å; G654-Y657 VanDerWaalsContact O-N 3.14Å
655	R	93.5	Very high	96	Very high	77 Å²	77	63.1 Å²	63.1	29%	0.291	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32	178.5	-92.4	-160.8	164.4	98	7.2	113	Y150 E575 R579 S580 Y657	Y150-R655 PolarHBondContact OH-NH2 3.5Å; E575-R655 IonicContact OE1-NH2 3.65Å; E575-R655 IonicContact OE2-CZ 2.73Å; E575-R655 IonicContact OE2-NE 2.76Å; E575-R655 PolarHBondContact OE2-NE 3.43Å; E575-R655 IonicContact OE2-NH2 2.68Å; E575-R655 PolarHBondContact OE2-NH2 3.03Å; R579-R655 HydrophobicContact CB-CG 4.4Å; R579-R655 PolarHBondContact NH1-O 2.9Å; S580-R655 PolarHBondContact OG-NH2 3.38Å; R655-Y657 VanDerWaalsContact C-N 3.31Å
656	D	94.8	Very high	95.9	Very high	142 Å²	142	62.4 Å²	62.4	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	5.3	178.2	56.3	-41.3	0	0	0	113.6	G654 V658	G654-D656 PolarHBondContact O-N 3.17Å; D656-V658 PolarHBondContact O-N 3.22Å
657	Y	96.1	Very high	95.8	Very high	24 Å²	24	61.8 Å²	61.8	9%	0.094	34%	0.338	C	S	.	.			trans	-53.7	126.3	177.4	172.2	-108.3	0	0	0	112.8	S530 R579 Y617 N653 G654 R655 V659	S530-Y657 VanDerWaalsContact CB-CD1 3.49Å; S530-Y657 WeakPolarHBondContact OG-CD1 3.19Å; R579-Y657 PolarHBondContact NH1-O 3.09Å; R579-Y657 PolarHBondContact NH2-O 2.93Å; R579-Y657 VanDerWaalsContact NH2-O 3.1Å; Y617-Y657 AromaticContact CE1-CE2 3.88Å; Y617-Y657 HydrophobicContact CE1-CE2 3.88Å; N653-Y657 HydrophobicContact CB-CD1 4.48Å; N653-Y657 HydrophobicContact CB-CD2 4.09Å; N653-Y657 HydrophobicContact CB-CG 3.96Å; G654-Y657 WeakPolarHBondContact O-CB 3.22Å; G654-Y657 PolarHBondContact O-N 2.96Å; G654-Y657 VanDerWaalsContact O-N 3.14Å; R655-Y657 VanDerWaalsContact C-N 3.31Å; Y657-V659 HydrophobicContact CE1-CG2 3.77Å
658	V	96.4	Very high	95.7	Very high	107 Å²	107	59.7 Å²	59.7	65%	0.648	33%	0.331	S	S	*	.			trans	-113.6	122.8	174.4	-178.2	0	0	0	0	108.8	D656 T660	D656-V658 PolarHBondContact O-N 3.22Å; V658-T660 PolarHBondContact O-N 2.88Å; V658-T660 PolarHBondContact O-OG1 2.98Å
659	V	96.9	Very high	95.5	Very high	36 Å²	36	56.2 Å²	56.2	22%	0.218	31%	0.306	C	S	.	.			trans	-58.2	104.6	174.6	175.7	0	0	0	0	109.5	N483 V485 F642 Y657 K661	N483-V659 HydrophobicContact CB-CG2 4.4Å; V485-V659 HydrophobicContact CG2-CB 4.42Å; V485-V659 HydrophobicContact CG2-CG1 3.49Å; V485-V659 VanDerWaalsContact CG2-CG1 3.49Å; V485-V659 HydrophobicContact CG2-CG2 3.98Å; F642-V659 HydrophobicContact CD1-CG1 3.6Å; F642-V659 HydrophobicContact CE1-CG1 3.64Å; Y657-V659 HydrophobicContact CE1-CG2 3.77Å; V659-K661 PolarHBondContact O-N 2.85Å
660	T	96.3	Very high	95.2	Very high	69 Å²	69	57.5 Å²	57.5	42%	0.423	31%	0.312	S	S	.	.			trans	-84.7	117.6	-178.5	-65.7	0	0	0	0	109.5	F642 L643 V658	F642-T660 WeakPolarHBondContact CA-O 3.3Å; L643-T660 HydrophobicContact CD1-CG2 3.88Å; L643-T660 HydrophobicContact CG-CG2 4.23Å; L643-T660 PolarHBondContact N-O 3.08Å; V658-T660 PolarHBondContact O-N 2.88Å; V658-T660 PolarHBondContact O-OG1 2.98Å
661	K	96.1	Very high	94.7	Very high	102 Å²	102	60.9 Å²	60.9	44%	0.443	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.5	179.3	66.1	-177.8	-174.9	166.5	0	113	E640 Q641 F642 V659	E640-K661 WeakPolarHBondContact OE1-CD 3.41Å; E640-K661 WeakPolarHBondContact OE1-CE 3.44Å; E640-K661 IonicContact OE1-NZ 2.66Å; E640-K661 PolarHBondContact OE1-NZ 3.13Å; Q641-K661 CarbonylContact O-C 3.45Å; Q641-K661 WeakPolarHBondContact O-CA 3.28Å; F642-K661 HydrophobicContact CD1-CB 3.71Å; F642-K661 HydrophobicContact CD1-CD 4.25Å; F642-K661 HydrophobicContact CD2-CB 4.49Å; F642-K661 HydrophobicContact CE1-CB 3.87Å; F642-K661 HydrophobicContact CE1-CD 3.53Å; F642-K661 HydrophobicContact CE1-CG 4.31Å; F642-K661 HydrophobicContact CG-CB 4.06Å; F642-K661 HydrophobicContact CZ-CB 4.31Å; F642-K661 HydrophobicContact CZ-CD 3.7Å; V659-K661 PolarHBondContact O-N 2.85Å
662	Q	96	Very high	94.3	Very high	133 Å²	133	61.7 Å²	61.7	62%	0.621	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.4	178.9	-62.2	-173.7	9.7	0	0	109.6	Q641	Q641-Q662 PolarHBondContact N-O 3.35Å; Q641-Q662 PolarHBondContact O-N 2.85Å
663	P	96.3	Very high	93.7	Very high	87 Å²	87	60.8 Å²	60.8	57%	0.565	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	143.5	175.5	31.6	-33.5	0	0	0	110.9	Y638 K639	Y638-P663 HydrophobicContact CD2-CB 4.01Å; Y638-P663 HydrophobicContact CE2-CB 4.49Å; K639-P663 CarbonylContact O-C 3.59Å; K639-P663 VanDerWaalsContact O-CA 3.3Å; K639-P663 WeakPolarHBondContact O-CA 3.29Å
664	S	96.3	Very high	93.1	Very high	42 Å²	42	60.9 Å²	60.9	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.8	169.5	-57.4	0	0	0	0	108.8	Y638 K639	Y638-S664 CarbonylContact C-O 3.51Å; Y638-S664 WeakPolarHBondContact CA-O 3.43Å; Y638-S664 WeakPolarHBondContact CB-O 3.42Å; K639-S664 PolarHBondContact N-O 3.27Å; K639-S664 PolarHBondContact O-N 3.35Å
665	I	96.7	Very high	92.7	Very high	87 Å²	87	61.6 Å²	61.6	45%	0.446	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.3	-171.6	-59.7	178.9	0	0	0	110.1	K722 Q724	I665-K722 WeakPolarHBondContact CG2-O 3.38Å; I665-Q724 HydrophobicContact CG2-CB 3.85Å; I665-Q724 HydrophobicContact CG2-CG 3.83Å
666	C	95.6	Very high	92.4	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.074	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-92.8	158.9	178.2	-52.1	0	0	0	0	111.3	C634 G637 C723 Q724	C634-C666 HydrophobicContact CB-CB 3.96Å; C634-C666 WeakPolarHBondContact CB-SG 3.23Å; C634-C666 WeakPolarHBondContact SG-CB 3.47Å; C634-C666 CovalentContact SG-SG 2.03Å; C634-C666 PolarHBondContact SG-SG 2.91Å; G637-C666 WeakPolarHBondContact O-CB 3.12Å; G637-C666 PolarHBondContact O-N 3.25Å; C666-C723 WeakPolarHBondContact O-CA 3.44Å; C666-Q724 PolarHBondContact O-N 2.67Å
667	L	95.1	Very high	92.1	Very high	87 Å²	87	52.1 Å²	52.1	46%	0.455	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.8	147.1	167.3	-62.6	177.6	0	0	0	109.1	S669 Q724	L667-S669 PolarHBondContact O-N 2.92Å; L667-Q724 WeakPolarHBondContact CA-O 3.34Å
668	C	93.1	Very high	91.5	Very high	13 Å²	13	51 Å²	51	9%	0.088	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-71.6	131.3	174.7	-60.7	0	0	0	0	111.2	F673 C723 G725 G726 V727	C668-F673 HydrophobicContact CB-CE2 4.22Å; C668-C723 WeakPolarHBondContact CA-SG 3.39Å; C668-C723 HydrophobicContact CB-CB 3.91Å; C668-C723 WeakPolarHBondContact CB-SG 3.27Å; C668-C723 WeakPolarHBondContact SG-CB 3.46Å; C668-C723 PolarHBondContact SG-O 2.69Å; C668-C723 VanDerWaalsContact SG-O 3.42Å; C668-C723 CovalentContact SG-SG 2.03Å; C668-C723 PolarHBondContact SG-SG 3.19Å; C668-G725 WeakPolarHBondContact CB-O 3.28Å; C668-G725 PolarHBondContact N-O 3.12Å; C668-G725 PolarHBondContact SG-O 3.08Å; C668-G725 VanDerWaalsContact SG-O 3.36Å; C668-G726 CarbonylContact O-C 3.52Å; C668-G726 WeakPolarHBondContact O-CA 2.84Å; C668-V727 WeakPolarHBondContact CB-O 3.21Å; C668-V727 PolarHBondContact O-N 2.85Å
669	S	90.5	Very high	91.1	Very high	31 Å²	31	46.7 Å²	46.7	22%	0.217	25%	0.251	C	S	.	.			trans	-93.3	-164.9	166.8	74	0	0	0	0	110.3	L667 E671 D672 F673	L667-S669 PolarHBondContact O-N 2.92Å; S669-E671 PolarHBondContact OG-N 2.88Å; S669-D672 WeakPolarHBondContact CA-OD2 3.33Å; S669-D672 WeakPolarHBondContact CB-OD2 3.44Å; S669-D672 PolarHBondContact N-OD2 2.83Å; S669-D672 PolarHBondContact OG-N 2.93Å; S669-D672 PolarHBondContact OG-OD2 2.82Å; S669-F673 WeakPolarHBondContact O-CD2 3.25Å; S669-F673 WeakPolarHBondContact O-CE2 3.38Å
670	L	87.7	Confident	90.5	Very high	42 Å²	42	49.8 Å²	49.8	22%	0.22	26%	0.259	C	S	.	.	S	Bend	trans	-84.8	-14.3	162.5	-77	176.6	0	0	0	112.6	R681 K687 Y715 V727	L670-R681 PolarHBondContact O-NH2 2.94Å; L670-K687 HydrophobicContact CD1-CG 3.7Å; L670-Y715 HydrophobicContact CD2-CE1 4.06Å; L670-V727 HydrophobicContact CD2-CG1 3.79Å; L670-V727 HydrophobicContact CG-CG1 4.2Å
671	E	84.3	Confident	89.8	Confident	124 Å²	124	50.7 Å²	50.7	58%	0.579	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-29	-172.1	-45.9	-149.5	146.8	0	0	111.2	S669 F673 S686 I718	S669-E671 PolarHBondContact OG-N 2.88Å; E671-F673 PolarHBondContact O-N 3.45Å; E671-S686 PolarHBondContact OE1-OG 2.97Å; E671-I718 VanDerWaalsContact O-CD1 3.28Å; E671-I718 WeakPolarHBondContact O-CD1 3.26Å
672	D	88.1	Confident	89	Confident	18 Å²	18	48 Å²	48	10%	0.096	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	4.8	168.3	-50.9	-84.8	0	0	0	113.9	G637 S669 K717 I718 D721	G637-D672 WeakPolarHBondContact CA-OD1 3.37Å; G637-D672 PolarHBondContact N-OD1 2.85Å; G637-D672 VanDerWaalsContact N-OD1 3.13Å; S669-D672 WeakPolarHBondContact CA-OD2 3.33Å; S669-D672 WeakPolarHBondContact CB-OD2 3.44Å; S669-D672 PolarHBondContact N-OD2 2.83Å; S669-D672 PolarHBondContact OG-N 2.93Å; S669-D672 PolarHBondContact OG-OD2 2.82Å; D672-K717 WeakPolarHBondContact O-CA 2.98Å; D672-I718 PolarHBondContact O-N 3.1Å; D672-D721 WeakPolarHBondContact CB-OD2 3.31Å
673	F	86.4	Confident	88	Confident	16 Å²	16	50.4 Å²	50.4	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.5	176.6	-62	-101.3	0	0	0	111.7	C668 S669 E671 R681 Y715 R716 K717 P729	C668-F673 HydrophobicContact CB-CE2 4.22Å; S669-F673 WeakPolarHBondContact O-CD2 3.25Å; S669-F673 WeakPolarHBondContact O-CE2 3.38Å; E671-F673 PolarHBondContact O-N 3.45Å; F673-R681 VanDerWaalsContact O-CZ 3.31Å; F673-R681 PolarHBondContact O-NH1 3.06Å; F673-R681 PolarHBondContact O-NH2 2.87Å; F673-Y715 HydrophobicContact CB-CD1 4.1Å; F673-R716 CarbonylContact C-O 3.16Å; F673-R716 WeakPolarHBondContact CA-O 3.03Å; F673-K717 HydrophobicContact CD1-CB 4.26Å; F673-K717 HydrophobicContact CE1-CB 4.21Å; F673-P729 HydrophobicContact CD1-CG 3.9Å; F673-P729 HydrophobicContact CE1-CG 3.77Å; F673-P729 HydrophobicContact CG-CG 4.4Å; F673-P729 VanDerWaalsContact CZ-CD 3.44Å; F673-P729 HydrophobicContact CZ-CG 4.14Å
674	L	84.1	Confident	86.8	Confident	22 Å²	22	54.5 Å²	54.5	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	161.7	161.2	-57.4	179.3	0	0	0	110.6	Y715 R716 I718	L674-Y715 WeakPolarHBondContact O-CA 3.38Å; L674-R716 PolarHBondContact N-O 3.01Å; L674-R716 PolarHBondContact O-N 2.67Å; L674-I718 HydrophobicContact CD2-CG1 3.88Å; L674-I718 HydrophobicContact CG-CG1 3.84Å
675	C	86.4	Confident	85.8	Confident	23 Å²	23	55 Å²	55	16%	0.155	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.8	131.4	162.7	-54.3	0	0	0	0	109.6	C688	C675-C688 WeakPolarHBondContact CA-SG 3.32Å; C675-C688 HydrophobicContact CB-CB 3.76Å; C675-C688 WeakPolarHBondContact CB-SG 3.47Å; C675-C688 PolarHBondContact N-SG 3.45Å; C675-C688 VanDerWaalsContact N-SG 3.38Å; C675-C688 VanDerWaalsContact SG-CA 3.55Å; C675-C688 WeakPolarHBondContact SG-CB 3.33Å; C675-C688 CovalentContact SG-SG 2.04Å; C675-C688 PolarHBondContact SG-SG 2.64Å
676	D	87.4	Confident	84.8	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.102	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-82.6	172.1	173.6	-162.4	11.8	0	0	0	110.5	G678 Y679 T712 R716	D676-G678 PolarHBondContact O-N 3.43Å; D676-Y679 PolarHBondContact O-N 2.64Å; D676-Y679 VanDerWaalsContact O-N 3.1Å; D676-T712 VanDerWaalsContact CB-OG1 3.32Å; D676-T712 WeakPolarHBondContact CB-OG1 3.16Å; D676-T712 VanDerWaalsContact CG-OG1 3.23Å; D676-T712 WeakPolarHBondContact OD2-CB 3.07Å; D676-T712 PolarHBondContact OD2-OG1 2.89Å; D676-R716 HydrophobicContact CB-CB 4.37Å
677	F	87.4	Confident	84.4	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	132	-172	174.2	-106.4	0	0	0	113.9	Q341 V385 Y679 L694 D698 F701 C702 L710 L736	Q341-F677 HydrophobicContact CG-CD2 4.18Å; V385-F677 HydrophobicContact CG2-CB 4.4Å; F677-Y679 VanDerWaalsContact C-N 3.3Å; F677-Y679 PolarHBondContact O-N 3.06Å; F677-L694 HydrophobicContact CE1-CD1 4.33Å; F677-L694 HydrophobicContact CZ-CD1 4.02Å; F677-L694 HydrophobicContact CZ-CD2 4.16Å; F677-D698 HydrophobicContact CE2-CB 4.03Å; F677-D698 VanDerWaalsContact CZ-O 3.28Å; F677-D698 WeakPolarHBondContact CZ-O 3.19Å; F677-F701 HydrophobicContact CB-CE1 4.27Å; F677-F701 HydrophobicContact CD1-CD1 4.06Å; F677-F701 HydrophobicContact CD1-CE1 4.16Å; F677-F701 AromaticContact CD2-CD1 3.5Å; F677-F701 HydrophobicContact CD2-CD1 3.5Å; F677-F701 VanDerWaalsContact CD2-CD1 3.5Å; F677-F701 AromaticContact CD2-CE1 3.9Å; F677-F701 HydrophobicContact CD2-CE1 3.9Å; F677-F701 HydrophobicContact CD2-CG 4.41Å; F677-F701 HydrophobicContact CE1-CD1 4.13Å; F677-F701 HydrophobicContact CE2-CB 4.19Å; F677-F701 AromaticContact CE2-CD1 3.57Å; F677-F701 HydrophobicContact CE2-CD1 3.57Å; F677-F701 HydrophobicContact CE2-CE1 4.4Å; F677-F701 HydrophobicContact CE2-CG 4.28Å; F677-F701 AromaticContact CG-CD1 3.78Å; F677-F701 HydrophobicContact CG-CD1 3.78Å; F677-F701 AromaticContact CG-CE1 3.78Å; F677-F701 HydrophobicContact CG-CE1 3.78Å; F677-F701 AromaticContact CZ-CD1 3.9Å; F677-F701 HydrophobicContact CZ-CD1 3.9Å; F677-C702 HydrophobicContact CE1-CB 4.14Å; F677-C702 HydrophobicContact CZ-CB 3.88Å; F677-L710 HydrophobicContact CD1-CD2 3.68Å; F677-L710 HydrophobicContact CE1-CD2 3.54Å; F677-L710 HydrophobicContact CZ-CD2 4.35Å; F677-L736 HydrophobicContact CD1-CD1 3.85Å; F677-L736 HydrophobicContact CE1-CB 4.37Å; F677-L736 HydrophobicContact CE1-CD1 4.07Å; F677-L736 WeakPolarHBondContact O-CD1 3.49Å
678	G	85.1	Confident	84	Confident	1 Å²	1	53 Å²	53	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	11.6	178.8	0	0	0	0	0	115.6	D676 Q691	D676-G678 PolarHBondContact O-N 3.43Å; G678-Q691 WeakPolarHBondContact O-CB 3.47Å; G678-Q691 PolarHBondContact O-N 2.69Å
679	Y	87.2	Confident	83.8	Confident	16 Å²	16	54.6 Å²	54.6	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	162.5	168.5	-70.4	-109.4	0	0	0	110.8	D676 F677 V689 E690 T712 R731 L736	D676-Y679 PolarHBondContact O-N 2.64Å; D676-Y679 VanDerWaalsContact O-N 3.1Å; F677-Y679 VanDerWaalsContact C-N 3.3Å; F677-Y679 PolarHBondContact O-N 3.06Å; Y679-V689 CarbonylContact C-O 3.58Å; Y679-V689 WeakPolarHBondContact CA-O 3.36Å; Y679-V689 WeakPolarHBondContact CB-O 3.19Å; Y679-V689 WeakPolarHBondContact CD1-O 3.44Å; Y679-E690 HydrophobicContact CD1-CB 4.03Å; Y679-E690 HydrophobicContact CE1-CB 3.7Å; Y679-E690 HydrophobicContact CE1-CG 4.11Å; Y679-E690 HydrophobicContact CE2-CG 4.22Å; Y679-T712 HydrophobicContact CD2-CG2 4.29Å; Y679-T712 HydrophobicContact CE2-CG2 3.89Å; Y679-R731 VanDerWaalsContact CE1-NH1 3.31Å; Y679-L736 HydrophobicContact CE2-CD1 4.42Å
680	Y	85.1	Confident	83.7	Confident	102 Å²	102	56 Å²	56	40%	0.4	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.1	177.6	75.3	-71.1	0	0	0	111.5	C688 V689 Q691	Y680-C688 CarbonylContact O-C 3.53Å; Y680-C688 WeakPolarHBondContact O-CA 3.35Å; Y680-V689 HydrophobicContact CD1-CG2 3.86Å; Y680-V689 WeakPolarHBondContact CD1-O 3.5Å; Y680-V689 HydrophobicContact CE1-CG2 3.41Å; Y680-V689 VanDerWaalsContact CE1-CG2 3.41Å; Y680-V689 HydrophobicContact CE2-CG2 4.37Å; Y680-V689 PolarHBondContact N-O 2.92Å; Y680-V689 PolarHBondContact O-N 3.19Å; Y680-Q691 HydrophobicContact CD1-CB 4.33Å; Y680-Q691 HydrophobicContact CD1-CG 3.73Å; Y680-Q691 HydrophobicContact CE1-CG 4.48Å; Y680-Q691 HydrophobicContact CG-CG 4.39Å
681	R	81.9	Confident	83.6	Confident	88 Å²	88	55.3 Å²	55.3	33%	0.332	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-92.1	127.8	168.2	-73.5	-171.8	164.2	117.6	6	110.1	L670 F673 S686	L670-R681 PolarHBondContact O-NH2 2.94Å; F673-R681 VanDerWaalsContact O-CZ 3.31Å; F673-R681 PolarHBondContact O-NH1 3.06Å; F673-R681 PolarHBondContact O-NH2 2.87Å; R681-S686 PolarHBondContact NE-O 3.44Å; R681-S686 PolarHBondContact NH2-O 3.42Å
682	P	78.6	Confident	83.7	Confident	44 Å²	44	54.6 Å²	54.6	29%	0.286	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63.7	158.9	160.7	-19.3	33.2	0	0	0	111.4	N684 D685 K687 V689	P682-N684 PolarHBondContact O-N 3.36Å; P682-D685 HydrophobicContact CB-CB 4.46Å; P682-D685 PolarHBondContact O-N 2.93Å; P682-K687 WeakPolarHBondContact CD-O 3.5Å; P682-V689 HydrophobicContact CG-CG1 4.2Å; P682-V689 HydrophobicContact CG-CG2 3.83Å
683	E	74.3	Confident	83.6	Confident	185 Å²	185	58.8 Å²	58.8	86%	0.864	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	126.9	171.2	-67.3	177.6	-168	0	0	110.9	D685	E683-D685 VanDerWaalsContact C-N 3.32Å; E683-D685 PolarHBondContact O-N 3.46Å
684	N	71.3	Confident	83.6	Confident	172 Å²	172	58.7 Å²	58.7	92%	0.92	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	18.2	179.3	-46.3	-73.7	0	0	0	116.7	P682	P682-N684 PolarHBondContact O-N 3.36Å
685	D	74.6	Confident	83.8	Confident	54 Å²	54	63.9 Å²	63.9	29%	0.289	32%	0.318	S	S	.	.			trans	-119.8	120.7	166.1	-167.2	-9.7	0	0	0	111.2	P682 E683 K687	P682-D685 HydrophobicContact CB-CB 4.46Å; P682-D685 PolarHBondContact O-N 2.93Å; E683-D685 VanDerWaalsContact C-N 3.32Å; E683-D685 PolarHBondContact O-N 3.46Å; D685-K687 PolarHBondContact O-N 3.18Å; D685-K687 VanDerWaalsContact O-N 3.12Å; D685-K687 WeakPolarHBondContact OD1-CB 3.5Å; D685-K687 VanDerWaalsContact OD1-CG 3.29Å; D685-K687 WeakPolarHBondContact OD1-CG 3.48Å; D685-K687 PolarHBondContact OD1-N 3.26Å; D685-K687 IonicContact OD1-NZ 3.15Å; D685-K687 IonicContact OD2-NZ 3.67Å
686	S	77.6	Confident	83.9	Confident	39 Å²	39	65.1 Å²	65.1	27%	0.273	34%	0.335	S	S	.	.			trans	-66.2	-8.7	176	-39.7	0	0	0	0	112.9	E671 R681	E671-S686 PolarHBondContact OE1-OG 2.97Å; R681-S686 PolarHBondContact NE-O 3.44Å; R681-S686 PolarHBondContact NH2-O 3.42Å
687	K	86.4	Confident	83.8	Confident	104 Å²	104	66.8 Å²	66.8	45%	0.452	34%	0.342	S	S	.	.	S	Bend	trans	-83.2	133.7	178.8	-64.8	168	-160.7	126.6	0	113.5	L670 P682 D685 V689 Y715	L670-K687 HydrophobicContact CD1-CG 3.7Å; P682-K687 WeakPolarHBondContact CD-O 3.5Å; D685-K687 PolarHBondContact O-N 3.18Å; D685-K687 VanDerWaalsContact O-N 3.12Å; D685-K687 WeakPolarHBondContact OD1-CB 3.5Å; D685-K687 VanDerWaalsContact OD1-CG 3.29Å; D685-K687 WeakPolarHBondContact OD1-CG 3.48Å; D685-K687 PolarHBondContact OD1-N 3.26Å; D685-K687 IonicContact OD1-NZ 3.15Å; D685-K687 IonicContact OD2-NZ 3.67Å; K687-V689 PolarHBondContact O-N 3.3Å; K687-Y715 VanDerWaalsContact CA-OH 3.29Å; K687-Y715 WeakPolarHBondContact CA-OH 3.5Å; K687-Y715 WeakPolarHBondContact CB-OH 3.46Å
688	C	86.7	Confident	83.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.346	C	S	.	.			trans	-77.4	117.1	168.3	-64	0	0	0	0	110.7	C675 Y680 G714 Y715 R731	C675-C688 WeakPolarHBondContact CA-SG 3.32Å; C675-C688 HydrophobicContact CB-CB 3.76Å; C675-C688 WeakPolarHBondContact CB-SG 3.47Å; C675-C688 PolarHBondContact N-SG 3.45Å; C675-C688 VanDerWaalsContact N-SG 3.38Å; C675-C688 VanDerWaalsContact SG-CA 3.55Å; C675-C688 WeakPolarHBondContact SG-CB 3.33Å; C675-C688 CovalentContact SG-SG 2.04Å; C675-C688 PolarHBondContact SG-SG 2.64Å; Y680-C688 CarbonylContact O-C 3.53Å; Y680-C688 WeakPolarHBondContact O-CA 3.35Å; C688-G714 VanDerWaalsContact CB-O 3.28Å; C688-G714 WeakPolarHBondContact CB-O 3.47Å; C688-Y715 HydrophobicContact CB-CD1 3.82Å; C688-Y715 HydrophobicContact CB-CD2 4.5Å; C688-Y715 HydrophobicContact CB-CE1 3.53Å; C688-Y715 HydrophobicContact CB-CE2 4.29Å; C688-Y715 HydrophobicContact CB-CG 4.3Å; C688-Y715 PolarHBondContact N-OH 2.97Å; C688-Y715 VanDerWaalsContact N-OH 3.1Å; C688-Y715 VanDerWaalsContact SG-CE1 3.59Å; C688-R731 VanDerWaalsContact O-CZ 3.28Å; C688-R731 PolarHBondContact O-NH1 3.04Å; C688-R731 PolarHBondContact O-NH2 3.5Å
689	V	89.4	Confident	84	Confident	46 Å²	46	70 Å²	70	28%	0.279	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.5	174	-53.2	0	0	0	0	110.1	Y679 Y680 P682 K687 Q691	Y679-V689 CarbonylContact C-O 3.58Å; Y679-V689 WeakPolarHBondContact CA-O 3.36Å; Y679-V689 WeakPolarHBondContact CB-O 3.19Å; Y679-V689 WeakPolarHBondContact CD1-O 3.44Å; Y680-V689 HydrophobicContact CD1-CG2 3.86Å; Y680-V689 WeakPolarHBondContact CD1-O 3.5Å; Y680-V689 HydrophobicContact CE1-CG2 3.41Å; Y680-V689 VanDerWaalsContact CE1-CG2 3.41Å; Y680-V689 HydrophobicContact CE2-CG2 4.37Å; Y680-V689 PolarHBondContact N-O 2.92Å; Y680-V689 PolarHBondContact O-N 3.19Å; P682-V689 HydrophobicContact CG-CG1 4.2Å; P682-V689 HydrophobicContact CG-CG2 3.83Å; K687-V689 PolarHBondContact O-N 3.3Å; V689-Q691 PolarHBondContact O-N 2.73Å
690	E	88	Confident	83.9	Confident	59 Å²	59	72 Å²	72	28%	0.276	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.4	-177.3	-162.3	-175.1	131.4	0	0	109.6	Y679 K734 K739	Y679-E690 HydrophobicContact CD1-CB 4.03Å; Y679-E690 HydrophobicContact CE1-CB 3.7Å; Y679-E690 HydrophobicContact CE1-CG 4.11Å; Y679-E690 HydrophobicContact CE2-CG 4.22Å; E690-K734 IonicContact OE2-NZ 2.77Å; E690-K734 PolarHBondContact OE2-NZ 3.13Å; E690-K739 IonicContact OE1-NZ 2.7Å; E690-K739 PolarHBondContact OE1-NZ 2.7Å
691	Q	86.3	Confident	84.1	Confident	29 Å²	29	67.2 Å²	67.2	14%	0.136	35%	0.35	C	S	.	.			trans	-57.7	136.5	177.1	-70.5	-175.2	21.9	0	0	109.9	G678 Y680 V689 E693 L694 D698 K739	G678-Q691 WeakPolarHBondContact O-CB 3.47Å; G678-Q691 PolarHBondContact O-N 2.69Å; Y680-Q691 HydrophobicContact CD1-CB 4.33Å; Y680-Q691 HydrophobicContact CD1-CG 3.73Å; Y680-Q691 HydrophobicContact CE1-CG 4.48Å; Y680-Q691 HydrophobicContact CG-CG 4.39Å; V689-Q691 PolarHBondContact O-N 2.73Å; Q691-E693 VanDerWaalsContact C-N 3.33Å; Q691-E693 PolarHBondContact O-N 2.9Å; Q691-L694 HydrophobicContact CB-CD2 4.32Å; Q691-D698 PolarHBondContact NE2-OD2 3.44Å; Q691-D698 PolarHBondContact OE1-OD2 2.66Å; Q691-K739 PolarHBondContact O-NZ 2.83Å
692	P	86.1	Confident	84.5	Confident	109 Å²	109	63 Å²	63	71%	0.708	33%	0.334	S	S	*	.	S	Bend	trans	-64.7	-39.1	179.6	24.7	-33	0	0	0	112
693	E	85.4	Confident	85	Confident	106 Å²	106	63.6 Å²	63.6	50%	0.495	34%	0.335	S	S	.	.	S	Bend	trans	-148.6	127.6	-176.8	-175.6	-179.5	-167.7	0	0	109.2	Q691 K695	Q691-E693 VanDerWaalsContact C-N 3.33Å; Q691-E693 PolarHBondContact O-N 2.9Å; E693-K695 HydrophobicContact CG-CG 4.36Å; E693-K695 WeakPolarHBondContact OE2-CE 3.39Å; E693-K695 IonicContact OE2-NZ 2.74Å; E693-K695 PolarHBondContact OE2-NZ 3.3Å
694	L	86.6	Confident	85.6	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.073	32%	0.323	C	S	.	.			trans	-78.8	132.8	178.2	-57.6	171.2	0	0	0	109.6	F677 Q691 D698 L699 C702 C740	F677-L694 HydrophobicContact CE1-CD1 4.33Å; F677-L694 HydrophobicContact CZ-CD1 4.02Å; F677-L694 HydrophobicContact CZ-CD2 4.16Å; Q691-L694 HydrophobicContact CB-CD2 4.32Å; L694-D698 HydrophobicContact CB-CB 4.38Å; L694-D698 HydrophobicContact CD2-CB 4.38Å; L694-L699 HydrophobicContact CB-CB 4.46Å; L694-C702 HydrophobicContact CD1-CB 3.85Å; L694-C740 HydrophobicContact CD1-CB 4.24Å
695	K	87	Confident	86.3	Confident	130 Å²	130	54.7 Å²	54.7	57%	0.565	29%	0.285	S	S	*	.			trans	-136.4	153.6	-172.9	-66.3	-175.8	-179.4	178.4	0	112.7	E693 H697 D698	E693-K695 HydrophobicContact CG-CG 4.36Å; E693-K695 WeakPolarHBondContact OE2-CE 3.39Å; E693-K695 IonicContact OE2-NZ 2.74Å; E693-K695 PolarHBondContact OE2-NZ 3.3Å; K695-H697 PolarHBondContact O-N 2.8Å; K695-D698 PolarHBondContact O-N 2.68Å
696	G	89	Confident	86.9	Confident	50 Å²	50	56.1 Å²	56.1	52%	0.515	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-128.1	-179.7	0	0	0	0	0	111.9	D698 L699 E700	G696-D698 VanDerWaalsContact C-N 3.27Å; G696-D698 PolarHBondContact O-N 2.92Å; G696-L699 WeakPolarHBondContact O-CB 3.46Å; G696-L699 PolarHBondContact O-N 2.76Å; G696-E700 PolarHBondContact O-N 3.14Å; G696-E700 VanDerWaalsContact O-N 3.12Å
697	H	85.2	Confident	87.1	Confident	54 Å²	54	60 Å²	60	25%	0.25	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-28.2	-177.6	71.5	-86.2	0	0	0	114.4	K695 L699 E700 F701	K695-H697 PolarHBondContact O-N 2.8Å; H697-L699 VanDerWaalsContact C-N 3.35Å; H697-E700 PolarHBondContact O-N 2.88Å; H697-F701 WeakPolarHBondContact O-CB 3.22Å; H697-F701 PolarHBondContact O-N 2.67Å
698	D	87.7	Confident	86.9	Confident	16 Å²	16	60.1 Å²	60.1	9%	0.086	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-36.8	173.4	-83.2	-16.1	0	0	0	111.9	Q341 F677 Q691 L694 K695 G696 C702	Q341-D698 PolarHBondContact NE2-OD1 2.96Å; F677-D698 HydrophobicContact CE2-CB 4.03Å; F677-D698 VanDerWaalsContact CZ-O 3.28Å; F677-D698 WeakPolarHBondContact CZ-O 3.19Å; Q691-D698 PolarHBondContact NE2-OD2 3.44Å; Q691-D698 PolarHBondContact OE1-OD2 2.66Å; L694-D698 HydrophobicContact CB-CB 4.38Å; L694-D698 HydrophobicContact CD2-CB 4.38Å; K695-D698 PolarHBondContact O-N 2.68Å; G696-D698 VanDerWaalsContact C-N 3.27Å; G696-D698 PolarHBondContact O-N 2.92Å; D698-C702 WeakPolarHBondContact O-CB 3.34Å; D698-C702 PolarHBondContact O-N 3.19Å
699	L	88.9	Confident	86.6	Confident	54 Å²	54	60.5 Å²	60.5	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-69.4	-40.8	174.6	-178.5	58.9	0	0	0	111	L694 G696 H697 C702 L703 C740	L694-L699 HydrophobicContact CB-CB 4.46Å; G696-L699 WeakPolarHBondContact O-CB 3.46Å; G696-L699 PolarHBondContact O-N 2.76Å; H697-L699 VanDerWaalsContact C-N 3.35Å; L699-C702 PolarHBondContact O-N 2.88Å; L699-L703 HydrophobicContact CD1-CD1 4.14Å; L699-L703 HydrophobicContact CD1-CG 4.31Å; L699-L703 HydrophobicContact CG-CD1 4.03Å; L699-L703 VanDerWaalsContact O-CG 3.3Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 2.99Å; L699-C740 HydrophobicContact CD1-CB 3.82Å
700	E	86.4	Confident	86.4	Confident	56 Å²	56	58.3 Å²	58.3	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-43.8	175.7	-67.5	-176.9	-147.4	0	0	112.3	R326 G696 H697 C702 L703 Y704	R326-E700 IonicContact CZ-OE2 2.68Å; R326-E700 IonicContact NH1-OE2 2.7Å; R326-E700 PolarHBondContact NH1-OE2 2.9Å; R326-E700 IonicContact NH2-OE2 2.62Å; R326-E700 PolarHBondContact NH2-OE2 2.83Å; G696-E700 PolarHBondContact O-N 3.14Å; G696-E700 VanDerWaalsContact O-N 3.12Å; H697-E700 PolarHBondContact O-N 2.88Å; E700-C702 VanDerWaalsContact C-N 3.29Å; E700-C702 PolarHBondContact O-N 2.95Å; E700-L703 PolarHBondContact O-N 2.82Å; E700-Y704 HydrophobicContact CB-CD2 4.26Å; E700-Y704 VanDerWaalsContact O-CD2 3.26Å; E700-Y704 WeakPolarHBondContact O-CD2 3.26Å; E700-Y704 PolarHBondContact O-N 2.73Å
701	F	89.4	Confident	86.2	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.013	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-38.7	174.4	-172.9	-95.5	0	0	0	111.4	M339 Q341 I384 F677 H697 L703 G705 H709 L710	M339-F701 WeakPolarHBondContact O-CE2 3.32Å; Q341-F701 HydrophobicContact CB-CD2 3.81Å; Q341-F701 HydrophobicContact CB-CE2 4Å; Q341-F701 HydrophobicContact CB-CG 4.12Å; Q341-F701 HydrophobicContact CB-CZ 4.46Å; Q341-F701 HydrophobicContact CG-CB 4.42Å; Q341-F701 HydrophobicContact CG-CD2 4.42Å; Q341-F701 HydrophobicContact CG-CG 4.22Å; I384-F701 HydrophobicContact CG2-CE2 4Å; I384-F701 HydrophobicContact CG2-CZ 3.94Å; F677-F701 HydrophobicContact CB-CE1 4.27Å; F677-F701 HydrophobicContact CD1-CD1 4.06Å; F677-F701 HydrophobicContact CD1-CE1 4.16Å; F677-F701 AromaticContact CD2-CD1 3.5Å; F677-F701 HydrophobicContact CD2-CD1 3.5Å; F677-F701 VanDerWaalsContact CD2-CD1 3.5Å; F677-F701 AromaticContact CD2-CE1 3.9Å; F677-F701 HydrophobicContact CD2-CE1 3.9Å; F677-F701 HydrophobicContact CD2-CG 4.41Å; F677-F701 HydrophobicContact CE1-CD1 4.13Å; F677-F701 HydrophobicContact CE2-CB 4.19Å; F677-F701 AromaticContact CE2-CD1 3.57Å; F677-F701 HydrophobicContact CE2-CD1 3.57Å; F677-F701 HydrophobicContact CE2-CE1 4.4Å; F677-F701 HydrophobicContact CE2-CG 4.28Å; F677-F701 AromaticContact CG-CD1 3.78Å; F677-F701 HydrophobicContact CG-CD1 3.78Å; F677-F701 AromaticContact CG-CE1 3.78Å; F677-F701 HydrophobicContact CG-CE1 3.78Å; F677-F701 AromaticContact CZ-CD1 3.9Å; F677-F701 HydrophobicContact CZ-CD1 3.9Å; H697-F701 WeakPolarHBondContact O-CB 3.22Å; H697-F701 PolarHBondContact O-N 2.67Å; F701-L703 VanDerWaalsContact C-N 3.34Å; F701-L703 PolarHBondContact O-N 2.82Å; F701-G705 WeakPolarHBondContact O-CA 2.96Å; F701-G705 PolarHBondContact O-N 3Å; F701-H709 HydrophobicContact CE1-CB 4.08Å; F701-H709 HydrophobicContact CZ-CB 3.73Å; F701-L710 HydrophobicContact CD1-CD2 3.73Å; F701-L710 HydrophobicContact CE1-CD2 3.76Å
702	C	90.3	Very high	86.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-31.7	175.7	-161.8	0	0	0	0	114	F677 L694 D698 L699 E700 L710 L736 C740	F677-C702 HydrophobicContact CE1-CB 4.14Å; F677-C702 HydrophobicContact CZ-CB 3.88Å; L694-C702 HydrophobicContact CD1-CB 3.85Å; D698-C702 WeakPolarHBondContact O-CB 3.34Å; D698-C702 PolarHBondContact O-N 3.19Å; L699-C702 PolarHBondContact O-N 2.88Å; E700-C702 VanDerWaalsContact C-N 3.29Å; E700-C702 PolarHBondContact O-N 2.95Å; C702-L710 WeakPolarHBondContact O-CD1 3.33Å; C702-L736 PolarHBondContact SG-O 3.17Å; C702-L736 VanDerWaalsContact SG-O 3.35Å; C702-C740 VanDerWaalsContact C-SG 3.55Å; C702-C740 HydrophobicContact CB-CB 3.63Å; C702-C740 WeakPolarHBondContact CB-SG 3.37Å; C702-C740 PolarHBondContact O-SG 2.83Å; C702-C740 VanDerWaalsContact O-SG 3.34Å; C702-C740 WeakPolarHBondContact SG-CB 3.4Å; C702-C740 CovalentContact SG-SG 2.03Å; C702-C740 PolarHBondContact SG-SG 2.59Å
703	L	88.4	Confident	86.2	Confident	55 Å²	55	54 Å²	54	29%	0.288	27%	0.267	S	S	.	.	H	α-helix	trans	-86.2	-33.9	-178.8	-67.9	171.8	0	0	0	113.4	L699 E700 F701 T741 F744	L699-L703 HydrophobicContact CD1-CD1 4.14Å; L699-L703 HydrophobicContact CD1-CG 4.31Å; L699-L703 HydrophobicContact CG-CD1 4.03Å; L699-L703 VanDerWaalsContact O-CG 3.3Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 2.99Å; E700-L703 PolarHBondContact O-N 2.82Å; F701-L703 VanDerWaalsContact C-N 3.34Å; F701-L703 PolarHBondContact O-N 2.82Å; L703-T741 HydrophobicContact CD2-CG2 4.36Å; L703-F744 HydrophobicContact CD1-CE2 4.25Å; L703-F744 HydrophobicContact CD1-CZ 4Å; L703-F744 HydrophobicContact CD2-CD2 4.4Å; L703-F744 HydrophobicContact CD2-CE2 3.91Å; L703-F744 HydrophobicContact CD2-CZ 4.36Å
704	Y	87.4	Confident	86.3	Confident	159 Å²	159	49 Å²	49	62%	0.624	24%	0.244	S	C	*	.	H	α-helix	trans	-117.3	-8.8	-172.1	-54	-60.3	0	0	0	114.8	E700	E700-Y704 HydrophobicContact CB-CD2 4.26Å; E700-Y704 VanDerWaalsContact O-CD2 3.26Å; E700-Y704 WeakPolarHBondContact O-CD2 3.26Å; E700-Y704 PolarHBondContact O-N 2.73Å
705	G	85.9	Confident	86.3	Confident	11 Å²	11	49.1 Å²	49.1	11%	0.113	24%	0.243	C	C	.	.	S	Bend	trans	-73.1	163.9	177	0	0	0	0	0	113.8	F701	F701-G705 WeakPolarHBondContact O-CA 2.96Å; F701-G705 PolarHBondContact O-N 3Å
706	R	86	Confident	86.2	Confident	85 Å²	85	44.8 Å²	44.8	32%	0.321	22%	0.223	S	C	.	.			trans	-73.3	142.6	174.8	-58.7	-171.1	-175.4	-179.6	7.3	110.6	T336 W337 S338 E708 H709	T336-R706 PolarHBondContact OG1-NH2 3.19Å; W337-R706 VanDerWaalsContact C-NH2 3.27Å; W337-R706 PolarHBondContact O-NE 3.26Å; W337-R706 PolarHBondContact O-NH2 3.35Å; S338-R706 WeakPolarHBondContact OG-CD 3.43Å; S338-R706 PolarHBondContact OG-NE 3.19Å; S338-R706 VanDerWaalsContact OG-NE 3.08Å; R706-E708 VanDerWaalsContact C-N 3.25Å; R706-E708 HydrophobicContact CB-CG 3.75Å; R706-E708 WeakPolarHBondContact CD-OE1 2.96Å; R706-E708 IonicContact CZ-OE1 2.67Å; R706-E708 IonicContact NE-OE1 2.73Å; R706-E708 IonicContact NH1-OE1 2.68Å; R706-E708 PolarHBondContact NH1-OE1 2.65Å; R706-E708 PolarHBondContact O-N 3.29Å; R706-H709 PolarHBondContact O-N 3Å
707	E	81.8	Confident	86.1	Confident	119 Å²	119	45.6 Å²	45.6	56%	0.556	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-60.3	-34.6	-175.6	-55.5	-173.4	154.5	0	0	112.7	H709 L710 T711 K737	E707-H709 PolarHBondContact O-N 2.9Å; E707-H709 VanDerWaalsContact O-N 3.09Å; E707-L710 PolarHBondContact O-N 3.23Å; E707-T711 PolarHBondContact O-N 3.35Å; E707-T711 VanDerWaalsContact O-N 3.17Å; E707-T711 PolarHBondContact O-OG1 3.34Å; E707-K737 HydrophobicContact CG-CD 3.98Å; E707-K737 IonicContact OE1-NZ 2.64Å; E707-K737 PolarHBondContact OE1-NZ 3Å
708	E	82.3	Confident	86.3	Confident	107 Å²	107	44.2 Å²	44.2	50%	0.5	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-62.6	-6.5	172.4	53.5	167	167.5	0	0	115.5	R706	R706-E708 VanDerWaalsContact C-N 3.25Å; R706-E708 HydrophobicContact CB-CG 3.75Å; R706-E708 WeakPolarHBondContact CD-OE1 2.96Å; R706-E708 IonicContact CZ-OE1 2.67Å; R706-E708 IonicContact NE-OE1 2.73Å; R706-E708 IonicContact NH1-OE1 2.68Å; R706-E708 PolarHBondContact NH1-OE1 2.65Å; R706-E708 PolarHBondContact O-N 3.29Å
709	H	81.9	Confident	86.3	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.042	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-112.8	-4.9	172.3	-46.5	-26.8	0	0	0	112.3	S338 R382 I384 F701 R706 E707	S338-H709 PolarHBondContact OG-NE2 3.34Å; R382-H709 PolarHBondContact NH1-ND1 2.91Å; I384-H709 WeakPolarHBondContact CD1-NE2 3.37Å; F701-H709 HydrophobicContact CE1-CB 4.08Å; F701-H709 HydrophobicContact CZ-CB 3.73Å; R706-H709 PolarHBondContact O-N 3Å; E707-H709 PolarHBondContact O-N 2.9Å; E707-H709 VanDerWaalsContact O-N 3.09Å
710	L	84.1	Confident	86.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.1	177.5	-55.4	178.8	0	0	0	112.2	F677 F701 C702 E707 L736 K737	F677-L710 HydrophobicContact CD1-CD2 3.68Å; F677-L710 HydrophobicContact CE1-CD2 3.54Å; F677-L710 HydrophobicContact CZ-CD2 4.35Å; F701-L710 HydrophobicContact CD1-CD2 3.73Å; F701-L710 HydrophobicContact CE1-CD2 3.76Å; C702-L710 WeakPolarHBondContact O-CD1 3.33Å; E707-L710 PolarHBondContact O-N 3.23Å; L710-L736 WeakPolarHBondContact O-CB 3.18Å; L710-L736 PolarHBondContact O-N 2.75Å; L710-K737 HydrophobicContact CB-CB 4.42Å; L710-K737 HydrophobicContact CD1-CB 3.85Å; L710-K737 HydrophobicContact CD1-CD 4.09Å; L710-K737 HydrophobicContact CD1-CG 4.04Å
711	T	85.3	Confident	86.4	Confident	64 Å²	64	39.6 Å²	39.6	39%	0.393	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.3	171.9	51.5	0	0	0	0	110.9	E707 K734 D735	E707-T711 PolarHBondContact O-N 3.35Å; E707-T711 VanDerWaalsContact O-N 3.17Å; E707-T711 PolarHBondContact O-OG1 3.34Å; T711-K734 CarbonylContact C-O 3.57Å; T711-K734 VanDerWaalsContact CA-O 3.3Å; T711-K734 WeakPolarHBondContact CA-O 3.11Å; T711-D735 HydrophobicContact CG2-CB 4.23Å
712	T	86.6	Confident	86.6	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.1	-173.9	-177.3	0	0	0	0	114.4	D676 Y679 G714 K734 L736	D676-T712 VanDerWaalsContact CB-OG1 3.32Å; D676-T712 WeakPolarHBondContact CB-OG1 3.16Å; D676-T712 VanDerWaalsContact CG-OG1 3.23Å; D676-T712 WeakPolarHBondContact OD2-CB 3.07Å; D676-T712 PolarHBondContact OD2-OG1 2.89Å; Y679-T712 HydrophobicContact CD2-CG2 4.29Å; Y679-T712 HydrophobicContact CE2-CG2 3.89Å; T712-G714 PolarHBondContact OG1-N 2.03Å; T712-K734 PolarHBondContact N-O 2.81Å; T712-K734 PolarHBondContact O-N 3.12Å; T712-L736 HydrophobicContact CG2-CD1 3.8Å; T712-L736 HydrophobicContact CG2-CG 4.38Å
713	N	85.7	Confident	86.8	Confident	40 Å²	40	44.6 Å²	44.6	21%	0.214	21%	0.21	C	C	.	.			trans	-85	-8.1	166.5	67.7	-11.9	0	0	0	112.6	Y715 R731	N713-Y715 PolarHBondContact OD1-N 3.44Å; N713-Y715 PolarHBondContact OD1-O 2.84Å; N713-R731 HydrophobicContact CB-CB 4.13Å; N713-R731 WeakPolarHBondContact O-CD 3.36Å
714	G	86.6	Confident	87.1	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	87.9	8.5	-179.4	0	0	0	0	0	116.4	C688 T712	C688-G714 VanDerWaalsContact CB-O 3.28Å; C688-G714 WeakPolarHBondContact CB-O 3.47Å; T712-G714 PolarHBondContact OG1-N 2.03Å
715	Y	86.8	Confident	87.3	Confident	16 Å²	16	43.1 Å²	43.1	6%	0.063	22%	0.222	C	C	.	.			trans	-142.6	137.8	174.7	-70.3	-90.1	0	0	0	111.3	L670 F673 L674 K687 C688 N713 P729 R731	L670-Y715 HydrophobicContact CD2-CE1 4.06Å; F673-Y715 HydrophobicContact CB-CD1 4.1Å; L674-Y715 WeakPolarHBondContact O-CA 3.38Å; K687-Y715 VanDerWaalsContact CA-OH 3.29Å; K687-Y715 WeakPolarHBondContact CA-OH 3.5Å; K687-Y715 WeakPolarHBondContact CB-OH 3.46Å; C688-Y715 HydrophobicContact CB-CD1 3.82Å; C688-Y715 HydrophobicContact CB-CD2 4.5Å; C688-Y715 HydrophobicContact CB-CE1 3.53Å; C688-Y715 HydrophobicContact CB-CE2 4.29Å; C688-Y715 HydrophobicContact CB-CG 4.3Å; C688-Y715 PolarHBondContact N-OH 2.97Å; C688-Y715 VanDerWaalsContact N-OH 3.1Å; C688-Y715 VanDerWaalsContact SG-CE1 3.59Å; N713-Y715 PolarHBondContact OD1-N 3.44Å; N713-Y715 PolarHBondContact OD1-O 2.84Å; Y715-P729 VanDerWaalsContact CB-CG 3.5Å; Y715-P729 HydrophobicContact CD1-CB 4.39Å; Y715-P729 HydrophobicContact CD1-CG 4.38Å; Y715-P729 HydrophobicContact CD2-CB 3.38Å; Y715-P729 HydrophobicContact CD2-CG 3.92Å; Y715-P729 HydrophobicContact CE2-CB 3.74Å; Y715-P729 HydrophobicContact CG-CB 3.71Å; Y715-P729 HydrophobicContact CG-CG 3.73Å; Y715-R731 VanDerWaalsContact CE2-CZ 3.42Å; Y715-R731 VanDerWaalsContact CE2-NH1 3.28Å
716	R	84.1	Confident	87.6	Confident	40 Å²	40	45.2 Å²	45.2	15%	0.151	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.2	173.1	-160.1	-137.2	-164.2	89.9	-8.6	110.3	D380 D381 R382 F673 L674 D676	D380-R716 IonicContact OD2-CZ 3.92Å; D380-R716 IonicContact OD2-NH1 3.85Å; D380-R716 PolarHBondContact OD2-NH1 2.03Å; D380-R716 IonicContact OD2-NH2 2.86Å; D380-R716 PolarHBondContact OD2-NH2 3.18Å; D381-R716 IonicContact OD1-CZ 2.77Å; D381-R716 IonicContact OD1-NE 3.3Å; D381-R716 PolarHBondContact OD1-NE 3.02Å; D381-R716 IonicContact OD1-NH2 3.89Å; D381-R716 PolarHBondContact OD1-NH2 3.04Å; D381-R716 IonicContact OD2-CZ 2.79Å; D381-R716 IonicContact OD2-NH2 2.7Å; D381-R716 PolarHBondContact OD2-NH2 3.41Å; R382-R716 VanDerWaalsContact NH2-NH1 3.12Å; F673-R716 CarbonylContact C-O 3.16Å; F673-R716 WeakPolarHBondContact CA-O 3.03Å; L674-R716 PolarHBondContact N-O 3.01Å; L674-R716 PolarHBondContact O-N 2.67Å; D676-R716 HydrophobicContact CB-CB 4.37Å
717	K	87.6	Confident	87.8	Confident	67 Å²	67	44.2 Å²	44.2	29%	0.291	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	141.9	173.3	172.5	178.5	-87.4	-105.4	0	110.1	D672 F673 D721 C723	D672-K717 WeakPolarHBondContact O-CA 2.98Å; F673-K717 HydrophobicContact CD1-CB 4.26Å; F673-K717 HydrophobicContact CE1-CB 4.21Å; K717-D721 HydrophobicContact CD-CB 4.1Å; K717-D721 HydrophobicContact CG-CB 3.71Å; K717-D721 IonicContact NZ-OD1 3.98Å; K717-D721 PolarHBondContact NZ-OD1 2.89Å; K717-C723 PolarHBondContact NZ-O 2.94Å; K717-C723 PolarHBondContact NZ-SG 2.74Å
718	I	88.1	Confident	88.1	Confident	24 Å²	24	44.1 Å²	44.1	12%	0.123	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-62.8	139	177.5	-60.2	167.5	0	0	0	109.7	L636 E671 D672 L674 D721	L636-I718 HydrophobicContact CD2-CB 4.15Å; L636-I718 HydrophobicContact CD2-CD1 4.17Å; L636-I718 HydrophobicContact CD2-CG2 3.55Å; E671-I718 VanDerWaalsContact O-CD1 3.28Å; E671-I718 WeakPolarHBondContact O-CD1 3.26Å; D672-I718 PolarHBondContact O-N 3.1Å; L674-I718 HydrophobicContact CD2-CG1 3.88Å; L674-I718 HydrophobicContact CG-CG1 3.84Å; I718-D721 HydrophobicContact CB-CB 4.22Å; I718-D721 WeakPolarHBondContact O-CB 3.47Å; I718-D721 PolarHBondContact O-N 3.26Å; I718-D721 VanDerWaalsContact O-N 3.12Å
719	P	88.8	Confident	88.1	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.032	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	138.1	175.8	-24.2	36.5	0	0	0	112.9	D359 M360 S379 D381 Q433 D721	D359-P719 HydrophobicContact CB-CB 4.05Å; D359-P719 VanDerWaalsContact O-CB 3.24Å; D359-P719 WeakPolarHBondContact O-CB 3.3Å; M360-P719 HydrophobicContact CB-CB 3.91Å; M360-P719 HydrophobicContact CB-CG 4.12Å; M360-P719 HydrophobicContact CG-CB 4.22Å; S379-P719 WeakPolarHBondContact O-CG 3.41Å; D381-P719 HydrophobicContact CB-CB 4.27Å; D381-P719 HydrophobicContact CB-CG 4.32Å; Q433-P719 PolarHBondContact NE2-O 3.12Å; P719-D721 VanDerWaalsContact C-N 3.27Å
720	G	86.8	Confident	87.8	Confident	11 Å²	11	45.5 Å²	45.5	11%	0.113	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-5.7	-171.4	0	0	0	0	0	115	D359 K722	D359-G720 VanDerWaalsContact CG-CA 3.43Å; D359-G720 WeakPolarHBondContact OD1-CA 3.23Å; D359-G720 PolarHBondContact OD1-N 2.7Å; G720-K722 WeakPolarHBondContact O-CE 3.49Å
721	D	90.2	Very high	87.6	Confident	14 Å²	14	50 Å²	50	8%	0.075	28%	0.283	C	S	.	.			trans	-74.8	136.6	-178.9	-173.6	-72.6	0	0	0	114.1	L636 G637 D672 K717 I718 P719 C723	L636-D721 VanDerWaalsContact C-CG 3.46Å; L636-D721 WeakPolarHBondContact CA-OD2 3.18Å; L636-D721 HydrophobicContact CB-CB 4.28Å; L636-D721 WeakPolarHBondContact O-CA 2.92Å; G637-D721 PolarHBondContact N-OD2 2.75Å; D672-D721 WeakPolarHBondContact CB-OD2 3.31Å; K717-D721 HydrophobicContact CD-CB 4.1Å; K717-D721 HydrophobicContact CG-CB 3.71Å; K717-D721 IonicContact NZ-OD1 3.98Å; K717-D721 PolarHBondContact NZ-OD1 2.89Å; I718-D721 HydrophobicContact CB-CB 4.22Å; I718-D721 WeakPolarHBondContact O-CB 3.47Å; I718-D721 PolarHBondContact O-N 3.26Å; I718-D721 VanDerWaalsContact O-N 3.12Å; P719-D721 VanDerWaalsContact C-N 3.27Å; D721-C723 PolarHBondContact OD1-N 3.04Å; D721-C723 PolarHBondContact OD1-SG 3.41Å
722	K	94.2	Very high	87.4	Confident	101 Å²	101	55 Å²	55	44%	0.439	30%	0.303	S	S	.	.			trans	-125.6	17.4	-173.1	-57	172.1	-166.5	152.3	0	114.3	L636 Y638 I665 G720	L636-K722 PolarHBondContact O-N 2.95Å; Y638-K722 HydrophobicContact CD1-CB 3.72Å; Y638-K722 HydrophobicContact CD1-CD 4.12Å; Y638-K722 HydrophobicContact CD1-CG 4.17Å; Y638-K722 HydrophobicContact CE1-CB 4.07Å; Y638-K722 HydrophobicContact CE1-CD 3.6Å; Y638-K722 HydrophobicContact CE1-CG 3.97Å; Y638-K722 PolarHBondContact OH-NZ 2.83Å; I665-K722 WeakPolarHBondContact CG2-O 3.38Å; G720-K722 WeakPolarHBondContact O-CE 3.49Å
723	C	94.4	Very high	87.2	Confident	7 Å²	7	59.5 Å²	59.5	5%	0.047	33%	0.33	C	S	.	.			trans	-58	146.6	175.3	74.3	0	0	0	0	111.5	G637 C666 C668 K717 D721	G637-C723 WeakPolarHBondContact O-CA 3.23Å; G637-C723 PolarHBondContact O-N 3.3Å; C666-C723 WeakPolarHBondContact O-CA 3.44Å; C668-C723 WeakPolarHBondContact CA-SG 3.39Å; C668-C723 HydrophobicContact CB-CB 3.91Å; C668-C723 WeakPolarHBondContact CB-SG 3.27Å; C668-C723 WeakPolarHBondContact SG-CB 3.46Å; C668-C723 PolarHBondContact SG-O 2.69Å; C668-C723 VanDerWaalsContact SG-O 3.42Å; C668-C723 CovalentContact SG-SG 2.03Å; C668-C723 PolarHBondContact SG-SG 3.19Å; K717-C723 PolarHBondContact NZ-O 2.94Å; K717-C723 PolarHBondContact NZ-SG 2.74Å; D721-C723 PolarHBondContact OD1-N 3.04Å; D721-C723 PolarHBondContact OD1-SG 3.41Å
724	Q	94.2	Very high	87.2	Confident	125 Å²	125	62.1 Å²	62.1	58%	0.584	34%	0.339	S	S	*	.			trans	-136.4	139.9	179.5	-65.8	-176.5	13.8	0	0	112	I665 C666 L667	I665-Q724 HydrophobicContact CG2-CB 3.85Å; I665-Q724 HydrophobicContact CG2-CG 3.83Å; C666-Q724 PolarHBondContact O-N 2.67Å; L667-Q724 WeakPolarHBondContact CA-O 3.34Å
725	G	92.2	Very high	87.2	Confident	57 Å²	57	64.7 Å²	64.7	59%	0.588	35%	0.353	S	S	*	.	S	Bend	trans	69.7	-152.4	-172.6	0	0	0	0	0	111.6	C668	C668-G725 WeakPolarHBondContact CB-O 3.28Å; C668-G725 PolarHBondContact N-O 3.12Å; C668-G725 PolarHBondContact SG-O 3.08Å; C668-G725 VanDerWaalsContact SG-O 3.36Å
726	G	91.7	Very high	87.3	Confident	55 Å²	55	64.1 Å²	64.1	57%	0.567	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	66.4	-141.3	-179.3	0	0	0	0	0	113.5	C668	C668-G726 CarbonylContact O-C 3.52Å; C668-G726 WeakPolarHBondContact O-CA 2.84Å
727	V	91.1	Very high	87.5	Confident	64 Å²	64	65 Å²	65	39%	0.388	36%	0.356	S	S	.	.			trans	-76.7	128	179.8	-177.8	0	0	0	0	110.8	C668 L670	C668-V727 WeakPolarHBondContact CB-O 3.21Å; C668-V727 PolarHBondContact O-N 2.85Å; L670-V727 HydrophobicContact CD2-CG1 3.79Å; L670-V727 HydrophobicContact CG-CG1 4.2Å
728	N	87.8	Confident	87.4	Confident	118 Å²	118	68.7 Å²	68.7	63%	0.631	37%	0.372	S	S	*	.			trans	-120.8	119.3	162.8	-177.1	-1.5	0	0	0	107.9	V730	N728-V730 VanDerWaalsContact C-N 3.32Å; N728-V730 PolarHBondContact O-N 3.45Å
729	P	82.7	Confident	87.2	Confident	12 Å²	12	70.1 Å²	70.1	8%	0.078	38%	0.377	C	S	.	.			trans	-73.2	81.5	-176.1	28	-33.8	0	0	0	112.4	F673 Y715 R731	F673-P729 HydrophobicContact CD1-CG 3.9Å; F673-P729 HydrophobicContact CE1-CG 3.77Å; F673-P729 HydrophobicContact CG-CG 4.4Å; F673-P729 VanDerWaalsContact CZ-CD 3.44Å; F673-P729 HydrophobicContact CZ-CG 4.14Å; Y715-P729 VanDerWaalsContact CB-CG 3.5Å; Y715-P729 HydrophobicContact CD1-CB 4.39Å; Y715-P729 HydrophobicContact CD1-CG 4.38Å; Y715-P729 HydrophobicContact CD2-CB 3.38Å; Y715-P729 HydrophobicContact CD2-CG 3.92Å; Y715-P729 HydrophobicContact CE2-CB 3.74Å; Y715-P729 HydrophobicContact CG-CB 3.71Å; Y715-P729 HydrophobicContact CG-CG 3.73Å; P729-R731 PolarHBondContact O-N 3.3Å; P729-R731 VanDerWaalsContact O-N 3.16Å
730	V	75.1	Confident	87.1	Confident	132 Å²	132	70.1 Å²	70.1	80%	0.8	38%	0.377	S	S	*	.			trans	-70.9	107.5	174.5	-175.9	0	0	0	0	110.1	N728	N728-V730 VanDerWaalsContact C-N 3.32Å; N728-V730 PolarHBondContact O-N 3.45Å
731	R	79.7	Confident	87.1	Confident	94 Å²	94	72.1 Å²	72.1	36%	0.355	39%	0.387	S	S	.	.			trans	-133.5	154.8	168.1	-76.1	172.7	169.2	171.1	1.5	109.1	Y679 C688 N713 Y715 P729	Y679-R731 VanDerWaalsContact CE1-NH1 3.31Å; C688-R731 VanDerWaalsContact O-CZ 3.28Å; C688-R731 PolarHBondContact O-NH1 3.04Å; C688-R731 PolarHBondContact O-NH2 3.5Å; N713-R731 HydrophobicContact CB-CB 4.13Å; N713-R731 WeakPolarHBondContact O-CD 3.36Å; Y715-R731 VanDerWaalsContact CE2-CZ 3.42Å; Y715-R731 VanDerWaalsContact CE2-NH1 3.28Å; P729-R731 PolarHBondContact O-N 3.3Å; P729-R731 VanDerWaalsContact O-N 3.16Å
732	E	80.6	Confident	86.8	Confident	171 Å²	171	75.4 Å²	75.4	80%	0.799	41%	0.412	S	S	*	.			trans	-63.8	136.7	169.2	-173.6	174.2	-160.1	0	0	110	K734	E732-K734 PolarHBondContact O-N 2.85Å
733	V	83.8	Confident	86	Confident	97 Å²	97	76.6 Å²	76.6	59%	0.588	42%	0.423	S	S	*	.			trans	-73.3	112.5	179.8	-179.9	0	0	0	0	108.9
734	K	85	Confident	85.3	Confident	94 Å²	94	81.5 Å²	81.5	41%	0.409	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135.1	178.1	-64.1	-169.7	-175.6	-176.9	0	111.1	E690 T711 T712 E732 L736	E690-K734 IonicContact OE2-NZ 2.77Å; E690-K734 PolarHBondContact OE2-NZ 3.13Å; T711-K734 CarbonylContact C-O 3.57Å; T711-K734 VanDerWaalsContact CA-O 3.3Å; T711-K734 WeakPolarHBondContact CA-O 3.11Å; T712-K734 PolarHBondContact N-O 2.81Å; T712-K734 PolarHBondContact O-N 3.12Å; E732-K734 PolarHBondContact O-N 2.85Å; K734-L736 PolarHBondContact O-N 3.09Å
735	D	87.1	Confident	84.3	Confident	55 Å²	55	82.8 Å²	82.8	29%	0.294	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	104.8	165.1	165.8	16.1	0	0	0	109.7	T711 K737 K738	T711-D735 HydrophobicContact CG2-CB 4.23Å; D735-K737 VanDerWaalsContact C-N 3.33Å; D735-K737 WeakPolarHBondContact OD1-CA 3.34Å; D735-K737 WeakPolarHBondContact OD1-CB 3.46Å; D735-K737 PolarHBondContact OD1-N 3.2Å; D735-K738 WeakPolarHBondContact OD2-CD 3.29Å; D735-K738 VanDerWaalsContact OD2-CE 3.31Å; D735-K738 WeakPolarHBondContact OD2-CE 3.12Å; D735-K738 WeakPolarHBondContact OD2-CG 3.3Å; D735-K738 IonicContact OD2-NZ 3.6Å; D735-K738 PolarHBondContact OD2-NZ 3.05Å
736	L	87.9	Confident	83.1	Confident	3 Å²	3	83.6 Å²	83.6	2%	0.016	45%	0.45	C	S	.	.	S	Bend	trans	-78.1	-14.4	178.9	-65	177.4	0	0	0	113.3	F677 Y679 C702 L710 T712 K734 K738 K739 C740	F677-L736 HydrophobicContact CD1-CD1 3.85Å; F677-L736 HydrophobicContact CE1-CB 4.37Å; F677-L736 HydrophobicContact CE1-CD1 4.07Å; F677-L736 WeakPolarHBondContact O-CD1 3.49Å; Y679-L736 HydrophobicContact CE2-CD1 4.42Å; C702-L736 PolarHBondContact SG-O 3.17Å; C702-L736 VanDerWaalsContact SG-O 3.35Å; L710-L736 WeakPolarHBondContact O-CB 3.18Å; L710-L736 PolarHBondContact O-N 2.75Å; T712-L736 HydrophobicContact CG2-CD1 3.8Å; T712-L736 HydrophobicContact CG2-CG 4.38Å; K734-L736 PolarHBondContact O-N 3.09Å; L736-K738 PolarHBondContact O-N 2.82Å; L736-K739 HydrophobicContact CD2-CD 4.17Å; L736-K739 WeakPolarHBondContact O-CA 3.28Å; L736-K739 WeakPolarHBondContact O-CB 3.33Å; L736-K739 PolarHBondContact O-N 3.06Å; L736-C740 PolarHBondContact O-N 3.49Å
737	K	87.8	Confident	81.9	Confident	59 Å²	59	85.9 Å²	85.9	26%	0.257	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-37.2	177.4	-168.3	171.6	-179.2	170.9	0	111.1	E707 L710 D735 K739 C740 T741	E707-K737 HydrophobicContact CG-CD 3.98Å; E707-K737 IonicContact OE1-NZ 2.64Å; E707-K737 PolarHBondContact OE1-NZ 3Å; L710-K737 HydrophobicContact CB-CB 4.42Å; L710-K737 HydrophobicContact CD1-CB 3.85Å; L710-K737 HydrophobicContact CD1-CD 4.09Å; L710-K737 HydrophobicContact CD1-CG 4.04Å; D735-K737 VanDerWaalsContact C-N 3.33Å; D735-K737 WeakPolarHBondContact OD1-CA 3.34Å; D735-K737 WeakPolarHBondContact OD1-CB 3.46Å; D735-K737 PolarHBondContact OD1-N 3.2Å; K737-K739 VanDerWaalsContact C-N 3.25Å; K737-K739 PolarHBondContact O-N 3.47Å; K737-C740 PolarHBondContact O-SG 3.05Å; K737-C740 VanDerWaalsContact O-SG 3.34Å; K737-T741 HydrophobicContact CG-CG2 4.37Å; K737-T741 WeakPolarHBondContact O-CB 3.4Å; K737-T741 WeakPolarHBondContact O-CG2 3.4Å; K737-T741 PolarHBondContact O-N 3.21Å; K737-T741 PolarHBondContact O-OG1 2.97Å
738	K	85.6	Confident	80.1	Confident	144 Å²	144	90.8 Å²	90.8	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-61.6	-29.8	172.6	-72.9	175.7	-178	111	0	113.4	D735 L736 T741 S742	D735-K738 WeakPolarHBondContact OD2-CD 3.29Å; D735-K738 VanDerWaalsContact OD2-CE 3.31Å; D735-K738 WeakPolarHBondContact OD2-CE 3.12Å; D735-K738 WeakPolarHBondContact OD2-CG 3.3Å; D735-K738 IonicContact OD2-NZ 3.6Å; D735-K738 PolarHBondContact OD2-NZ 3.05Å; L736-K738 PolarHBondContact O-N 2.82Å; K738-T741 WeakPolarHBondContact CA-OG1 3.31Å; K738-S742 VanDerWaalsContact O-CB 3.3Å; K738-S742 WeakPolarHBondContact O-CB 3.43Å; K738-S742 PolarHBondContact O-N 3.15Å; K738-S742 PolarHBondContact O-OG 3.23Å
739	K	85.4	Confident	78	Confident	55 Å²	55	93.5 Å²	93.5	24%	0.239	48%	0.48	C	S	.	.	H	α-helix	trans	-79	-40.2	-178	-176.6	-178.5	176.3	178.6	0	112.9	E690 Q691 L736 K737 S742	E690-K739 IonicContact OE1-NZ 2.7Å; E690-K739 PolarHBondContact OE1-NZ 2.7Å; Q691-K739 PolarHBondContact O-NZ 2.83Å; L736-K739 HydrophobicContact CD2-CD 4.17Å; L736-K739 WeakPolarHBondContact O-CA 3.28Å; L736-K739 WeakPolarHBondContact O-CB 3.33Å; L736-K739 PolarHBondContact O-N 3.06Å; K737-K739 VanDerWaalsContact C-N 3.25Å; K737-K739 PolarHBondContact O-N 3.47Å; K739-S742 PolarHBondContact O-OG 2.89Å
740	C	85.9	Confident	76.2	Confident	5 Å²	5	100.7 Å²	100.7	3%	0.034	51%	0.512	C	S	.	.	H	α-helix	trans	-73.7	-38.3	171.2	51.1	0	0	0	0	111.7	L694 L699 C702 L736 K737 S742 F744	L694-C740 HydrophobicContact CD1-CB 4.24Å; L699-C740 HydrophobicContact CD1-CB 3.82Å; C702-C740 VanDerWaalsContact C-SG 3.55Å; C702-C740 HydrophobicContact CB-CB 3.63Å; C702-C740 WeakPolarHBondContact CB-SG 3.37Å; C702-C740 PolarHBondContact O-SG 2.83Å; C702-C740 VanDerWaalsContact O-SG 3.34Å; C702-C740 WeakPolarHBondContact SG-CB 3.4Å; C702-C740 CovalentContact SG-SG 2.03Å; C702-C740 PolarHBondContact SG-SG 2.59Å; L736-C740 PolarHBondContact O-N 3.49Å; K737-C740 PolarHBondContact O-SG 3.05Å; K737-C740 VanDerWaalsContact O-SG 3.34Å; C740-S742 PolarHBondContact O-N 2.62Å; C740-F744 VanDerWaalsContact O-CD2 3.29Å; C740-F744 WeakPolarHBondContact O-CD2 3.47Å; C740-F744 WeakPolarHBondContact O-CE2 3.14Å
741	T	87.8	Confident	74.6	Confident	52 Å²	52	101 Å²	101	32%	0.319	51%	0.51	S	S	.	.	H	α-helix	trans	-75.1	-19.9	-178.6	56.8	0	0	0	0	114.5	L703 K737 K738 N743 F744	L703-T741 HydrophobicContact CD2-CG2 4.36Å; K737-T741 HydrophobicContact CG-CG2 4.37Å; K737-T741 WeakPolarHBondContact O-CB 3.4Å; K737-T741 WeakPolarHBondContact O-CG2 3.4Å; K737-T741 PolarHBondContact O-N 3.21Å; K737-T741 PolarHBondContact O-OG1 2.97Å; K738-T741 WeakPolarHBondContact CA-OG1 3.31Å; T741-N743 PolarHBondContact O-N 2.79Å; T741-N743 VanDerWaalsContact O-N 3.17Å; T741-F744 PolarHBondContact O-N 3.49Å
742	S	82.8	Confident	72.7	Confident	84 Å²	84	100.9 Å²	100.9	59%	0.587	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.6	179.1	57.4	0	0	0	0	114.6	K738 K739 C740 F744	K738-S742 VanDerWaalsContact O-CB 3.3Å; K738-S742 WeakPolarHBondContact O-CB 3.43Å; K738-S742 PolarHBondContact O-N 3.15Å; K738-S742 PolarHBondContact O-OG 3.23Å; K739-S742 PolarHBondContact O-OG 2.89Å; C740-S742 PolarHBondContact O-N 2.62Å; S742-F744 VanDerWaalsContact C-N 3.33Å
743	N	78.1	Confident	71	Confident	125 Å²	125	101.3 Å²	101.3	67%	0.668	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.5	178.9	-65.1	-1.8	0	0	0	112.6	T741	T741-N743 PolarHBondContact O-N 2.79Å; T741-N743 VanDerWaalsContact O-N 3.17Å
744	F	79.6	Confident	69.2	Low	110 Å²	110	101.6 Å²	101.6	48%	0.482	53%	0.529	S	S	.	.	S	Bend	trans	-100.2	137.4	177.9	-63	-95.3	0	0	0	110.3	L703 C740 T741 S742 S746	L703-F744 HydrophobicContact CD1-CE2 4.25Å; L703-F744 HydrophobicContact CD1-CZ 4Å; L703-F744 HydrophobicContact CD2-CD2 4.4Å; L703-F744 HydrophobicContact CD2-CE2 3.91Å; L703-F744 HydrophobicContact CD2-CZ 4.36Å; C740-F744 VanDerWaalsContact O-CD2 3.29Å; C740-F744 WeakPolarHBondContact O-CD2 3.47Å; C740-F744 WeakPolarHBondContact O-CE2 3.14Å; T741-F744 PolarHBondContact O-N 3.49Å; S742-F744 VanDerWaalsContact C-N 3.33Å; F744-S746 PolarHBondContact O-N 3.01Å
745	L	73.4	Confident	67.8	Low	153 Å²	153	102.5 Å²	102.5	80%	0.801	54%	0.538	S	S	*	.			trans	-69.6	104.2	173.9	-80.3	90.3	0	0	0	110.3
746	S	67.2	Low	66.4	Low	73 Å²	73	102.6 Å²	102.6	51%	0.51	54%	0.543	S	S	.	.			trans	-59.2	131	173.2	-32.6	0	0	0	0	110.2	F744 E748 K749	F744-S746 PolarHBondContact O-N 3.01Å; S746-E748 PolarHBondContact O-N 3.14Å; S746-K749 PolarHBondContact O-N 3Å; S746-K749 VanDerWaalsContact O-N 3.14Å
747	P	64.7	Low	65.1	Low	103 Å²	103	106.5 Å²	106.5	67%	0.669	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-63.7	-22.1	-165.8	22	-33.5	0	0	0	114.7	K749 Q750	P747-K749 PolarHBondContact O-N 3.25Å; P747-Q750 PolarHBondContact O-N 3.01Å
748	E	53.6	Low	63.9	Low	168 Å²	168	107.7 Å²	107.7	79%	0.785	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-59.5	-27.9	176.7	-62.7	-166.5	125.1	0	0	113.3	S746 Q750 N751	S746-E748 PolarHBondContact O-N 3.14Å; E748-Q750 PolarHBondContact O-N 3.19Å; E748-N751 PolarHBondContact O-N 3.06Å
749	K	45.4	Very low	63	Low	174 Å²	174	105.8 Å²	105.8	76%	0.757	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-70.6	-9.3	175	-90.8	-177.5	176.4	174.2	0	114.6	S746 P747	S746-K749 PolarHBondContact O-N 3Å; S746-K749 VanDerWaalsContact O-N 3.14Å; P747-K749 PolarHBondContact O-N 3.25Å
750	Q	43.6	Very low	62.3	Low	163 Å²	163	107.5 Å²	107.5	76%	0.762	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-90.1	-15.2	167.1	-68.2	-171.7	-11.7	0	0	112.9	P747 E748	P747-Q750 PolarHBondContact O-N 3.01Å; E748-Q750 PolarHBondContact O-N 3.19Å
751	N	40.8	Very low	61.7	Low	140 Å²	140	112.7 Å²	112.7	75%	0.749	61%	0.613	S	S	*	*			trans	-96.6	10.4	179.9	-94.5	-31.2	0	0	0	114.3	E748 K753	E748-N751 PolarHBondContact O-N 3.06Å; N751-K753 VanDerWaalsContact C-N 3.3Å; N751-K753 PolarHBondContact O-N 2.89Å
752	S	40.9	Very low	61.1	Low	91 Å²	91	113.2 Å²	113.2	64%	0.636	62%	0.623	S	S	*	*	S	Bend	trans	-63.4	96	157	59	0	0	0	0	108.3	S754	S752-S754 PolarHBondContact O-N 2.94Å
753	K	45.6	Very low	60.9	Low	180 Å²	180	114 Å²	114	78%	0.783	62%	0.62	S	S	*	*			trans	-45.6	111.7	-177.7	-71.8	-179.6	178.4	175	0	110.3	N751 N755	N751-K753 VanDerWaalsContact C-N 3.3Å; N751-K753 PolarHBondContact O-N 2.89Å; K753-N755 PolarHBondContact O-N 2.82Å
754	S	45.1	Very low	60.9	Low	103 Å²	103	111.5 Å²	111.5	72%	0.72	61%	0.609	S	S	*	*			trans	-63.5	94.2	159.6	-177	0	0	0	0	106.5	S752 S756	S752-S754 PolarHBondContact O-N 2.94Å; S754-S756 PolarHBondContact O-N 3.31Å
755	N	55.8	Low	60.8	Low	113 Å²	113	107.7 Å²	107.7	60%	0.604	60%	0.601	S	S	*	*			trans	-64.1	93.3	170.4	-82.1	-24.7	0	0	0	106	K753 V757 P758	K753-N755 PolarHBondContact O-N 2.82Å; N755-V757 PolarHBondContact O-N 2.82Å; N755-P758 WeakPolarHBondContact O-CD 3Å
756	S	58.6	Low	61.3	Low	56 Å²	56	106 Å²	106	39%	0.392	59%	0.592	S	S	.	*			trans	-71.8	-8.6	176.3	53.2	0	0	0	0	112.4	S754 P758 I759 I760	S754-S756 PolarHBondContact O-N 3.31Å; S756-P758 VanDerWaalsContact C-CD 3.43Å; S756-I759 PolarHBondContact O-N 2.84Å; S756-I760 WeakPolarHBondContact O-CG1 3.21Å; S756-I760 PolarHBondContact O-N 3.5Å
757	V	60.6	Low	61.9	Low	86 Å²	86	108 Å²	108	52%	0.521	60%	0.595	S	S	.	*	H	α-helix	trans	-46.2	-49.8	177.7	-174.7	0	0	0	0	114.8	N755 I760 L761	N755-V757 PolarHBondContact O-N 2.82Å; V757-I760 PolarHBondContact O-N 2.84Å; V757-L761 HydrophobicContact CG1-CD1 3.85Å; V757-L761 HydrophobicContact CG1-CG 4.39Å; V757-L761 VanDerWaalsContact O-CB 3.28Å; V757-L761 WeakPolarHBondContact O-CB 3.28Å; V757-L761 WeakPolarHBondContact O-CG 3.38Å; V757-L761 PolarHBondContact O-N 3.05Å
758	P	61.8	Low	62.7	Low	83 Å²	83	107.9 Å²	107.9	54%	0.539	59%	0.588	S	S	.	*	H	α-helix	trans	-72.9	-28	179.8	31.5	-30.3	0	0	0	112.4	N755 S756 A762	N755-P758 WeakPolarHBondContact O-CD 3Å; S756-P758 VanDerWaalsContact C-CD 3.43Å; P758-A762 VanDerWaalsContact O-CB 3.25Å; P758-A762 WeakPolarHBondContact O-CB 3.25Å; P758-A762 PolarHBondContact O-N 2.88Å
759	I	67	Low	63.9	Low	104 Å²	104	104.5 Å²	104.5	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-72.1	-44.6	175.3	-58.6	175.4	0	0	0	109.7	S756 A762 I763	S756-I759 PolarHBondContact O-N 2.84Å; I759-A762 PolarHBondContact O-N 2.86Å; I759-I763 HydrophobicContact CG2-CD1 4Å; I759-I763 WeakPolarHBondContact O-CG1 3.34Å; I759-I763 PolarHBondContact O-N 2.8Å
760	I	69.9	Low	65.5	Low	92 Å²	92	99.8 Å²	99.8	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-63.4	-43.9	174.6	-66.5	167.1	0	0	0	110.2	S756 V757 A762 I763 V764	S756-I760 WeakPolarHBondContact O-CG1 3.21Å; S756-I760 PolarHBondContact O-N 3.5Å; V757-I760 PolarHBondContact O-N 2.84Å; I760-A762 PolarHBondContact O-N 3.46Å; I760-I763 PolarHBondContact O-N 2.82Å; I760-V764 HydrophobicContact CG2-CG2 4.24Å; I760-V764 WeakPolarHBondContact O-CB 3.47Å; I760-V764 VanDerWaalsContact O-CG2 3.26Å; I760-V764 WeakPolarHBondContact O-CG2 3.26Å; I760-V764 PolarHBondContact O-N 3.32Å
761	L	72.8	Confident	67.2	Low	113 Å²	113	96.2 Å²	96.2	59%	0.592	55%	0.553	S	S	*	*	H	α-helix	trans	-64.5	-36	174.9	-74.8	171.2	0	0	0	112.6	V757 G765	V757-L761 HydrophobicContact CG1-CD1 3.85Å; V757-L761 HydrophobicContact CG1-CG 4.39Å; V757-L761 VanDerWaalsContact O-CB 3.28Å; V757-L761 WeakPolarHBondContact O-CB 3.28Å; V757-L761 WeakPolarHBondContact O-CG 3.38Å; V757-L761 PolarHBondContact O-N 3.05Å; L761-G765 WeakPolarHBondContact O-CA 3.33Å; L761-G765 PolarHBondContact O-N 2.93Å
762	A	75.3	Confident	69	Low	64 Å²	64	94.3 Å²	94.3	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-66.2	-43.2	173.9	0	0	0	0	0	111.8	P758 I759 I760 G765 L766	P758-A762 VanDerWaalsContact O-CB 3.25Å; P758-A762 WeakPolarHBondContact O-CB 3.25Å; P758-A762 PolarHBondContact O-N 2.88Å; I759-A762 PolarHBondContact O-N 2.86Å; I760-A762 PolarHBondContact O-N 3.46Å; A762-G765 PolarHBondContact O-N 3.48Å; A762-L766 WeakPolarHBondContact O-CB 3.32Å; A762-L766 PolarHBondContact O-N 3.28Å
763	I	78.4	Confident	70.7	Confident	101 Å²	101	92 Å²	92	52%	0.518	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-44.9	177.2	-67.3	166.4	0	0	0	111	I759 I760 G765 L766 M767	I759-I763 HydrophobicContact CG2-CD1 4Å; I759-I763 WeakPolarHBondContact O-CG1 3.34Å; I759-I763 PolarHBondContact O-N 2.8Å; I760-I763 PolarHBondContact O-N 2.82Å; I763-G765 VanDerWaalsContact C-N 3.34Å; I763-L766 PolarHBondContact O-N 2.88Å; I763-M767 WeakPolarHBondContact O-CB 3.27Å; I763-M767 VanDerWaalsContact O-CG 3.27Å; I763-M767 WeakPolarHBondContact O-CG 3.32Å; I763-M767 PolarHBondContact O-N 3.32Å
764	V	79.4	Confident	72.2	Confident	71 Å²	71	85 Å²	85	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-39.3	175.6	169.9	0	0	0	0	111.1	I760 M767 L768	I760-V764 HydrophobicContact CG2-CG2 4.24Å; I760-V764 WeakPolarHBondContact O-CB 3.47Å; I760-V764 VanDerWaalsContact O-CG2 3.26Å; I760-V764 WeakPolarHBondContact O-CG2 3.26Å; I760-V764 PolarHBondContact O-N 3.32Å; V764-M767 PolarHBondContact O-N 2.9Å; V764-L768 HydrophobicContact CG1-CD1 4.04Å; V764-L768 WeakPolarHBondContact O-CB 3.38Å; V764-L768 WeakPolarHBondContact O-CG 3.4Å; V764-L768 PolarHBondContact O-N 3.29Å
765	G	77.5	Confident	73.6	Confident	30 Å²	30	84.3 Å²	84.3	31%	0.309	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-46.2	173	0	0	0	0	0	112.3	L761 A762 I763 M767 L768 V769	L761-G765 WeakPolarHBondContact O-CA 3.33Å; L761-G765 PolarHBondContact O-N 2.93Å; A762-G765 PolarHBondContact O-N 3.48Å; I763-G765 VanDerWaalsContact C-N 3.34Å; G765-M767 PolarHBondContact O-N 3.49Å; G765-L768 PolarHBondContact O-N 2.85Å; G765-V769 WeakPolarHBondContact O-CG2 3.22Å; G765-V769 PolarHBondContact O-N 3.43Å
766	L	82.4	Confident	74.1	Confident	118 Å²	118	84.1 Å²	84.1	62%	0.618	50%	0.497	S	S	*	.	H	α-helix	trans	-62.5	-42.5	176.4	-168.4	70.3	0	0	0	111.5	A762 I763 V769 T770	A762-L766 WeakPolarHBondContact O-CB 3.32Å; A762-L766 PolarHBondContact O-N 3.28Å; I763-L766 PolarHBondContact O-N 2.88Å; L766-V769 PolarHBondContact O-N 3.1Å; L766-T770 WeakPolarHBondContact O-CG2 3.41Å; L766-T770 PolarHBondContact O-N 3.27Å; L766-T770 PolarHBondContact O-OG1 2.9Å
767	M	81.4	Confident	74.6	Confident	116 Å²	116	86.4 Å²	86.4	57%	0.571	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-37	175.7	-72	-67.8	-74.1	0	0	112.6	I763 V764 G765 T770 V771	I763-M767 WeakPolarHBondContact O-CB 3.27Å; I763-M767 VanDerWaalsContact O-CG 3.27Å; I763-M767 WeakPolarHBondContact O-CG 3.32Å; I763-M767 PolarHBondContact O-N 3.32Å; V764-M767 PolarHBondContact O-N 2.9Å; G765-M767 PolarHBondContact O-N 3.49Å; M767-T770 WeakPolarHBondContact CA-OG1 3.31Å; M767-T770 PolarHBondContact O-OG1 3.27Å; M767-T770 VanDerWaalsContact O-OG1 3.1Å; M767-V771 WeakPolarHBondContact O-CB 3.46Å; M767-V771 WeakPolarHBondContact O-CG2 3.42Å; M767-V771 PolarHBondContact O-N 2.86Å
768	L	80.2	Confident	74.9	Confident	100 Å²	100	86.5 Å²	86.5	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-40.9	171.8	-79.9	165.7	0	0	0	111.4	V764 G765 V771 I772	V764-L768 HydrophobicContact CG1-CD1 4.04Å; V764-L768 WeakPolarHBondContact O-CB 3.38Å; V764-L768 WeakPolarHBondContact O-CG 3.4Å; V764-L768 PolarHBondContact O-N 3.29Å; G765-L768 PolarHBondContact O-N 2.85Å; L768-V771 PolarHBondContact O-N 3.45Å; L768-I772 WeakPolarHBondContact O-CB 3.18Å; L768-I772 WeakPolarHBondContact O-CD1 3.28Å; L768-I772 WeakPolarHBondContact O-CG1 3.34Å; L768-I772 PolarHBondContact O-N 2.94Å
769	V	80.2	Confident	74.8	Confident	96 Å²	96	89.8 Å²	89.8	58%	0.582	51%	0.51	S	S	*	.	H	α-helix	trans	-64.6	-42.9	176.3	169.7	0	0	0	0	111.6	G765 L766 I772 A773	G765-V769 WeakPolarHBondContact O-CG2 3.22Å; G765-V769 PolarHBondContact O-N 3.43Å; L766-V769 PolarHBondContact O-N 3.1Å; V769-I772 PolarHBondContact O-N 2.89Å; V769-A773 VanDerWaalsContact O-CB 3.31Å; V769-A773 WeakPolarHBondContact O-CB 3.34Å; V769-A773 PolarHBondContact O-N 2.88Å
770	T	78.8	Confident	74.4	Confident	76 Å²	76	92.9 Å²	92.9	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-69.8	-36.4	176.7	56.3	0	0	0	0	112.5	L766 M767 A773 G774	L766-T770 WeakPolarHBondContact O-CG2 3.41Å; L766-T770 PolarHBondContact O-N 3.27Å; L766-T770 PolarHBondContact O-OG1 2.9Å; M767-T770 WeakPolarHBondContact CA-OG1 3.31Å; M767-T770 PolarHBondContact O-OG1 3.27Å; M767-T770 VanDerWaalsContact O-OG1 3.1Å; T770-A773 PolarHBondContact O-N 2.91Å; T770-G774 PolarHBondContact O-N 2.84Å
771	V	79.8	Confident	73.8	Confident	87 Å²	87	97.3 Å²	97.3	53%	0.527	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-44.2	172.4	167.9	0	0	0	0	111.3	M767 L768 G774 V775	M767-V771 WeakPolarHBondContact O-CB 3.46Å; M767-V771 WeakPolarHBondContact O-CG2 3.42Å; M767-V771 PolarHBondContact O-N 2.86Å; L768-V771 PolarHBondContact O-N 3.45Å; V771-G774 PolarHBondContact O-N 2.86Å; V771-V775 HydrophobicContact CG1-CG2 4.47Å; V771-V775 WeakPolarHBondContact O-CB 3.44Å; V771-V775 WeakPolarHBondContact O-CG2 3.48Å; V771-V775 PolarHBondContact O-N 3.45Å
772	I	78.5	Confident	73.1	Confident	100 Å²	100	97.2 Å²	97.2	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-43.7	176.1	-70.9	164.4	0	0	0	110.6	L768 V769 V775 L776	L768-I772 WeakPolarHBondContact O-CB 3.18Å; L768-I772 WeakPolarHBondContact O-CD1 3.28Å; L768-I772 WeakPolarHBondContact O-CG1 3.34Å; L768-I772 PolarHBondContact O-N 2.94Å; V769-I772 PolarHBondContact O-N 2.89Å; I772-V775 PolarHBondContact O-N 3.28Å; I772-L776 HydrophobicContact CG2-CD1 3.97Å; I772-L776 HydrophobicContact CG2-CG 4.49Å; I772-L776 WeakPolarHBondContact O-CB 3.46Å; I772-L776 VanDerWaalsContact O-CG 3.28Å; I772-L776 WeakPolarHBondContact O-CG 3.16Å; I772-L776 PolarHBondContact O-N 3.47Å
773	A	75.9	Confident	71.9	Confident	43 Å²	43	99.6 Å²	99.6	36%	0.355	55%	0.547	S	S	.	.	H	α-helix	trans	-61.3	-44	174.7	0	0	0	0	0	111.9	V769 T770 L776 I777	V769-A773 VanDerWaalsContact O-CB 3.31Å; V769-A773 WeakPolarHBondContact O-CB 3.34Å; V769-A773 PolarHBondContact O-N 2.88Å; T770-A773 PolarHBondContact O-N 2.91Å; A773-L776 PolarHBondContact O-N 3.39Å; A773-I777 VanDerWaalsContact O-CG1 3.28Å; A773-I777 WeakPolarHBondContact O-CG1 3.28Å; A773-I777 PolarHBondContact O-N 3.3Å
774	G	76.4	Confident	70.3	Confident	32 Å²	32	97.8 Å²	97.8	33%	0.33	55%	0.553	S	S	.	*	H	α-helix	trans	-60.2	-47.1	175.1	0	0	0	0	0	112.5	T770 V771 L776 I777 V778	T770-G774 PolarHBondContact O-N 2.84Å; V771-G774 PolarHBondContact O-N 2.86Å; G774-L776 VanDerWaalsContact C-N 3.33Å; G774-L776 PolarHBondContact O-N 3.25Å; G774-I777 PolarHBondContact O-N 3.43Å; G774-V778 WeakPolarHBondContact O-CB 3.32Å; G774-V778 VanDerWaalsContact O-CG2 3.32Å; G774-V778 WeakPolarHBondContact O-CG2 3.38Å; G774-V778 PolarHBondContact O-N 2.98Å
775	V	74.3	Confident	68.3	Low	90 Å²	90	97.7 Å²	97.7	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-61.6	-39.4	175.6	169.2	0	0	0	0	111.6	V771 I772 K779	V771-V775 HydrophobicContact CG1-CG2 4.47Å; V771-V775 WeakPolarHBondContact O-CB 3.44Å; V771-V775 WeakPolarHBondContact O-CG2 3.48Å; V771-V775 PolarHBondContact O-N 3.45Å; I772-V775 PolarHBondContact O-N 3.28Å; V775-K779 WeakPolarHBondContact O-CB 3.33Å; V775-K779 PolarHBondContact O-N 2.87Å
776	L	67.6	Low	66.5	Low	108 Å²	108	108.4 Å²	108.4	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-67.2	-39.8	175.6	-72.9	170.1	0	0	0	112.5	I772 A773 G774 K780	I772-L776 HydrophobicContact CG2-CD1 3.97Å; I772-L776 HydrophobicContact CG2-CG 4.49Å; I772-L776 WeakPolarHBondContact O-CB 3.46Å; I772-L776 VanDerWaalsContact O-CG 3.28Å; I772-L776 WeakPolarHBondContact O-CG 3.16Å; I772-L776 PolarHBondContact O-N 3.47Å; A773-L776 PolarHBondContact O-N 3.39Å; G774-L776 VanDerWaalsContact C-N 3.33Å; G774-L776 PolarHBondContact O-N 3.25Å; L776-K780 VanDerWaalsContact O-CB 3.29Å; L776-K780 WeakPolarHBondContact O-CB 3.29Å; L776-K780 PolarHBondContact O-N 2.98Å
777	I	68.2	Low	64.4	Low	105 Å²	105	112.3 Å²	112.3	54%	0.538	61%	0.61	S	S	.	*	H	α-helix	trans	-66.4	-47.8	176	-69.9	164	0	0	0	110.5	A773 G774 K779 K780 Y781	A773-I777 VanDerWaalsContact O-CG1 3.28Å; A773-I777 WeakPolarHBondContact O-CG1 3.28Å; A773-I777 PolarHBondContact O-N 3.3Å; G774-I777 PolarHBondContact O-N 3.43Å; I777-K779 PolarHBondContact O-N 3.47Å; I777-K780 PolarHBondContact O-N 2.89Å; I777-K780 VanDerWaalsContact O-N 3.12Å; I777-Y781 HydrophobicContact CG2-CD2 4.3Å; I777-Y781 PolarHBondContact O-N 2.89Å
778	V	67.1	Low	62.2	Low	87 Å²	87	114.8 Å²	114.8	53%	0.527	63%	0.625	S	S	.	*	H	α-helix	trans	-60.1	-46	176.4	170.7	0	0	0	0	110.7	G774 K780 Y781 V782	G774-V778 WeakPolarHBondContact O-CB 3.32Å; G774-V778 VanDerWaalsContact O-CG2 3.32Å; G774-V778 WeakPolarHBondContact O-CG2 3.38Å; G774-V778 PolarHBondContact O-N 2.98Å; V778-K780 VanDerWaalsContact C-N 3.25Å; V778-K780 PolarHBondContact O-N 3.24Å; V778-Y781 PolarHBondContact O-N 3.3Å; V778-V782 HydrophobicContact CG1-CG2 3.9Å; V778-V782 WeakPolarHBondContact O-CB 3.45Å; V778-V782 WeakPolarHBondContact O-CG2 3.35Å; V778-V782 PolarHBondContact O-N 3.12Å
779	K	60.7	Low	60.1	Low	153 Å²	153	115.4 Å²	115.4	67%	0.665	63%	0.633	S	S	*	*	H	α-helix	trans	-61.9	-31.2	175.9	-172.1	173.4	-177.4	177.6	0	112.8	V775 I777	V775-K779 WeakPolarHBondContact O-CB 3.33Å; V775-K779 PolarHBondContact O-N 2.87Å; I777-K779 PolarHBondContact O-N 3.47Å
780	K	57.6	Low	57.8	Low	168 Å²	168	117.2 Å²	117.2	73%	0.73	63%	0.634	S	S	*	*	H	α-helix	trans	-77.6	-31.2	177.2	-169.7	174.2	-177.8	-178.8	0	113.3	L776 I777 V778	L776-K780 VanDerWaalsContact O-CB 3.29Å; L776-K780 WeakPolarHBondContact O-CB 3.29Å; L776-K780 PolarHBondContact O-N 2.98Å; I777-K780 PolarHBondContact O-N 2.89Å; I777-K780 VanDerWaalsContact O-N 3.12Å; V778-K780 VanDerWaalsContact C-N 3.25Å; V778-K780 PolarHBondContact O-N 3.24Å
781	Y	57.4	Low	55.6	Low	185 Å²	185	123.2 Å²	123.2	73%	0.725	65%	0.649	S	S	*	*	H	α-helix	trans	-99.4	-26.9	-176.3	-87.2	-90.2	0	0	0	115.3	I777 V778	I777-Y781 HydrophobicContact CG2-CD2 4.3Å; I777-Y781 PolarHBondContact O-N 2.89Å; V778-Y781 PolarHBondContact O-N 3.3Å
782	V	57.6	Low	53.4	Low	112 Å²	112	128.6 Å²	128.6	68%	0.679	66%	0.661	S	S	*	*	H	α-helix	trans	-87	-21.2	-175.8	178.2	0	0	0	0	113.1	V778	V778-V782 HydrophobicContact CG1-CG2 3.9Å; V778-V782 WeakPolarHBondContact O-CB 3.45Å; V778-V782 WeakPolarHBondContact O-CG2 3.35Å; V778-V782 PolarHBondContact O-N 3.12Å
783	C	50.8	Low	51.1	Low	113 Å²	113	129.5 Å²	129.5	76%	0.764	68%	0.676	S	S	*	*	S	Bend	trans	-103.3	12	-176.8	-63.6	0	0	0	0	115.1
784	G	44.3	Very low	49.1	Very low	63 Å²	63	133.3 Å²	133.3	65%	0.649	70%	0.695	S	S	*	*	S	Bend	trans	-138.8	47.9	-171.1	0	0	0	0	0	114.7
785	G	37.8	Very low	47.1	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	72%	0.716	S	S	*	*			trans	-79.8	138.6	-171.6	0	0	0	0	0	115.8
786	R	39.6	Very low	45.1	Very low	255 Å²	255	141.5 Å²	141.5	96%	0.962	72%	0.722	S	S	*	*			trans	-160.3	141.7	143	-110.8	170.7	-170.7	-167.7	1.4	111.9
787	F	38.6	Very low	43.4	Very low	199 Å²	199	142.7 Å²	142.7	87%	0.873	73%	0.725	S	S	*	*			trans	-71.5	155.9	171.9	-85.2	-116	0	0	0	111.8
788	L	35.9	Very low	41.7	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	74%	0.737	S	S	*	*			trans	-164.7	157.4	141.7	-109.5	161.3	0	0	0	113
789	V	34.6	Very low	40	Very low	113 Å²	113	144.9 Å²	144.9	69%	0.685	74%	0.739	S	S	*	*			trans	-151.7	145.2	-172.2	176.9	0	0	0	0	104.9
790	H	33	Very low	38.8	Very low	133 Å²	133	146.8 Å²	146.8	62%	0.616	75%	0.75	S	S	*	*			cis	-153.5	-156.2	41.6	-146.5	2	0	0	0	108
791	R	33	Very low	37.6	Very low	202 Å²	202	142.4 Å²	142.4	76%	0.762	75%	0.745	S	S	*	*			cis	-139.9	-101.1	4.3	-162.2	148.4	-146.3	-157	2.7	115.5
792	Y	33.6	Very low	36.5	Very low	201 Å²	201	141.5 Å²	141.5	79%	0.788	75%	0.753	S	S	*	*			trans	-156.4	162.1	-166.1	-92.9	-98.4	0	0	0	110.6
793	S	29.1	Very low	35.4	Very low	118 Å²	118	139.6 Å²	139.6	83%	0.825	76%	0.756	S	S	*	*			trans	-130.9	156.6	147.9	57.7	0	0	0	0	109.8
794	V	34.9	Very low	34.6	Very low	124 Å²	124	142.1 Å²	142.1	75%	0.752	76%	0.758	S	S	*	*			trans	-141.8	143.3	-173.5	174.2	0	0	0	0	109.2
795	L	32.9	Very low	34.3	Very low	149 Å²	149	146 Å²	146	78%	0.78	76%	0.764	S	S	*	*			trans	166.3	150.1	160.6	-92.7	158.7	0	0	0	107.6
796	Q	32	Very low	34.3	Very low	145 Å²	145	146 Å²	146	68%	0.678	76%	0.764	S	S	*	*			cis	-154.7	146.4	-0.5	-171.1	158.8	5.4	0	0	113.2
797	Q	32.3	Very low	34.1	Very low	133 Å²	133	140 Å²	140	62%	0.621	76%	0.756	S	S	*	*			trans	-1.5	148.5	157.1	-62.7	168.7	-73.8	0	0	125
798	H	32.9	Very low	34.1	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.787	75%	0.753	S	S	*	*			trans	53.3	159.5	135.2	-64	-55.7	0	0	0	121.9
799	A	31.9	Very low	34.2	Very low	68 Å²	68	133.2 Å²	133.2	56%	0.562	74%	0.739	S	S	*	*			cis	-174.6	166.3	-27.2	0	0	0	0	0	109.8
800	E	34.2	Very low	34.3	Very low	193 Å²	193	135.2 Å²	135.2	90%	0.902	75%	0.745	S	S	*	*			trans	65.1	151.7	157.2	-72.2	164.4	-145.2	0	0	119.2
801	A	33.6	Very low	34.3	Very low	75 Å²	75	134.9 Å²	134.9	62%	0.62	75%	0.748	S	S	*	*			cis	-165.1	161.9	-17.7	0	0	0	0	0	112.3
802	N	34	Very low	34.3	Very low	167 Å²	167	130.8 Å²	130.8	89%	0.893	75%	0.746	S	S	*	*			trans	67	141.6	161.5	-54.2	-24.2	0	0	0	119.4
803	G	34.3	Very low	34.4	Very low	72 Å²	72	125.3 Å²	125.3	74%	0.742	74%	0.742	S	S	*	*			cis	165.7	-179.1	-9.3	0	0	0	0	0	115.3
804	M	35.2	Very low	34.4	Very low	165 Å²	165	125 Å²	125	81%	0.813	74%	0.739	S	S	*	*			trans	90	117.8	165.4	-125.7	68.3	-161.3	0	0	120.7
805	D	36	Very low	34.3	Very low	144 Å²	144	126.7 Å²	126.7	77%	0.77	74%	0.739	S	S	*	*			trans	42.1	151.8	150.9	-49.9	-15.2	0	0	0	121.4
806	G	37.8	Very low	34.2	Very low	71 Å²	71	125.1 Å²	125.1	73%	0.732	74%	0.736	S	S	*	*			cis	151.9	145	6.4	0	0	0	0	0	107
807	V	37.2	Very low	34.2	Very low	129 Å²	129	125 Å²	125	78%	0.782	74%	0.74	S	S	*	*			cis	-175.1	145.7	49.5	156.2	0	0	0	0	109.6
808	D	38.3	Very low	34.1	Very low	153 Å²	153	127.8 Å²	127.8	82%	0.818	75%	0.75	S	S	*	*			trans	26.7	158.3	150.3	-58.4	-19	0	0	0	125.3
809	A	37.9	Very low	34	Very low	72 Å²	72	125.6 Å²	125.6	60%	0.595	75%	0.754	S	S	*	*			cis	-178.3	165.9	-23.3	0	0	0	0	0	112.5
810	L	35.9	Very low	33.9	Very low	155 Å²	155	125.6 Å²	125.6	81%	0.812	76%	0.76	S	S	*	*			trans	65.3	154.2	149.6	-72.3	161.4	0	0	0	119.7
811	D	33	Very low	33.7	Very low	127 Å²	127	126.6 Å²	126.6	68%	0.679	76%	0.757	S	S	*	*			cis	-157	169.3	-10.8	-149.3	-24	0	0	0	112.8
812	T	34.3	Very low	33.8	Very low	116 Å²	116	130.2 Å²	130.2	71%	0.712	76%	0.761	S	S	*	*			trans	17.9	122.2	156.5	28.1	0	0	0	0	126.1
813	A	33.9	Very low	33.8	Very low	86 Å²	86	127.9 Å²	127.9	71%	0.711	75%	0.749	S	S	*	*				62.1	116.7	122.3	0	0	0	0	0	125.7
814	S	30.2	Very low	33.9	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	75%	0.749	S	S	*	*			trans	96.8	148.3	130.8	84.3	0	0	0	0	123.5
815	H	31.6	Very low	34.4	Very low	160 Å²	160	127.1 Å²	127.1	74%	0.741	74%	0.737	S	S	*	*			trans	65.9	107.1	154.6	-83.5	-75.7	0	0	0	124.6
816	T	32.5	Very low	34.7	Very low	116 Å²	116	127 Å²	127	71%	0.712	74%	0.737	S	S	*	*			trans	71.4	143.6	131.8	50.2	0	0	0	0	124.9
817	N	30.4	Very low	34.9	Very low	144 Å²	144	132 Å²	132	77%	0.77	74%	0.741	S	S	*	*			trans	81.6	104.1	147.9	-75	-17.4	0	0	0	123.3
818	K	31.9	Very low	35.1	Very low	190 Å²	190	132 Å²	132	83%	0.826	74%	0.737	S	S	*	*				59.5	131.7	115.4	-113.5	-177	179.8	-175.2	0	122.4
819	S	30.5	Very low	35.3	Very low	124 Å²	124	131.1 Å²	131.1	87%	0.867	73%	0.731	S	S	*	*			trans	64.5	142	156	44	0	0	0	0	119.3
820	G	28.6	Very low	35.6	Very low	68 Å²	68	134.1 Å²	134.1	70%	0.701	74%	0.737	S	S	*	*			cis	160.9	169.7	-10	0	0	0	0	0	114.7
821	Y	30	Very low	36	Very low	215 Å²	215	138.6 Å²	138.6	84%	0.843	75%	0.753	S	S	*	*			trans	67.4	145.4	163.2	-92.3	-83	0	0	0	122.1
822	H	35.5	Very low	36.2	Very low	150 Å²	150	139.2 Å²	139.2	69%	0.694	76%	0.757	S	S	*	*			trans	65.7	142.5	159.9	-70.2	-62.1	0	0	0	118.8
823	D	35.4	Very low	36.3	Very low	119 Å²	119	140.4 Å²	140.4	64%	0.636	76%	0.759	S	S	*	*			cis	-161.8	-176.2	-19.9	-141	-17.3	0	0	0	111.5
824	D	36.4	Very low	36.4	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	76%	0.762	S	S	*	*			trans	69.1	155.4	151.6	-67.1	-29.2	0	0	0	120.3
825	S	44.2	Very low	36.8	Very low	82 Å²	82	145.4 Å²	145.4	57%	0.573	76%	0.762	S	S	*	*			cis	-170	-168.6	-27	60.3	0	0	0	0	110.1
826	D	42.5	Very low	37.1	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	76%	0.763	S	S	*	*			trans	71.6	144.1	163.9	-45.5	-13.7	0	0	0	117
827	E	42.9	Very low	37.4	Very low	175 Å²	175	146.3 Å²	146.3	82%	0.818	77%	0.766	S	S	*	*			cis	-148.4	-171.1	-11.5	-117.8	177.3	161.4	0	0	106.3
828	D	41.6	Very low	37.9	Very low	131 Å²	131	146.5 Å²	146.5	70%	0.701	77%	0.766	S	S	*	*			cis	-156.2	-178.7	23.4	-166.9	8.8	0	0	0	110.9
829	L	43.3	Very low	38.3	Very low	133 Å²	133	143.2 Å²	143.2	70%	0.696	76%	0.761	S	S	*	*			trans	-71.8	178.5	174.7	-68.7	168.1	0	0	0	114.4
830	L	42.8	Very low	39	Very low	136 Å²	136	144.8 Å²	144.8	71%	0.712	75%	0.753	S	S	*	*			cis	-157.8	-176.7	-7.4	-108.9	161.6	0	0	0	106.1
831	E	44.8	Very low	39.9	Very low	248 Å²	248	151.7 Å²	151.7	100%	1.159	76%	0.757	S	S	*	*			cis	-144	0	17.3	-163.2	167.5	-122.8	0	0	111.6

Retrieved 831 of 831 residues in 2057.8 ms (Link to these results)

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