A0A087XXX6_POEFO Loading...

Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A

Inositol 5-phosphatase, which converts inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate. Also converts phosphatidylinositol 4,5-bisphosphate to phosphatidylinositol 4-phosphate and inositol 1,3,4,5-tetrakisphosphate to inositol 1,3,4-trisphosphate in vitro. May be involved in modulation of the function of inositol and phosphatidylinositol polyphosphate-binding proteins that are present at membranes ruffles.

AlphaFold DB , UniProt , Accession A0A087XXX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 851 aa.

						>A0A087XXX6_POEFO|A0A087XXX6
MDQHNLRQSKRQKEGPRSRAEASAPASAPAQAAASDGANDPTTSQSPVPSRPPRPQRSSRIEGSVDISEPTVENKTEPKTEPRVEPKAKPRVEPKTKPKTEPRVEPKTEPKTEPRVEPKTEPRVEPKTKPKTEPRVEPKAEPKTEPRVEPKTEPRVEPKTEPRVEPKAEPKAEPKAEPKAEPKTEPKTEPKTEPAPQTNQNETTPDDSVVSQPETSTQTEEHTGPSVRAGPKGPVRAASMPQPPPSRSVSSHLNPHAQRALSLVGTADTLPQIQDEFRVHIITWNVGSATPPDDITTLLGLNVGDGNTDMYIIGLQEVNSMINKRLKDVLFTDQWSEACMESLSPFGYVLVTSERMQGLILLVFAKYFHLPFLRGVQTETTRTGLGGYWGNKGGISARMTVFGHSVCFLNCHLPAHIENHEDRMYDFESILQQQQFDSQGASGVLDHDIVFWFGDLNFRIEKMDIQAVKSAIENNKYSMLWENDQLNMTKDSETVLEGFQEGPLRFPPTYKFDVGTNTYDTSGKKRKPAWTDRILWRLRATAPAAQNVAKRVSVSGLASGIRVTQHFYRSHMEYLVSDHKPVSSIFTLEFPYRADVPLVTLIVEDEWKSYDDAKVIFKLMPSYSRSAWDWIGLYKVGFKHHKDYVGYMWARNEGANLYSQEHQLQFSEEELPKFSGDFILGYYSNNMSTIVGVTEPFQIQLPAESDSGSSSDSSDVSSENDSTVVMKLMTRSPSLRRKHRSRSRSRGRSQSSSQSRSRSFSGGRSGSIASNLLSSLSGNFFSNVPSSPPSTRPTSRCGTPASSRPGTPTELRVMELGLTDGTAAGSENTGRPAEGSQSQGATDKNKECSGM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	37.8	Very low	224 Å²	224	154.4 Å²	154.4	100%	1.103	72%	0.723	S	S	*	*				0	91	0	-69.4	173	177.1	0	0	106.3
2	D	33.8	Very low	37.9	Very low	134 Å²	134	151.5 Å²	151.5	72%	0.717	71%	0.709	S	S	*	*			cis	75.5	128.1	42.2	-58.7	-82.1	0	0	0	112.8
3	Q	38	Very low	37.8	Very low	144 Å²	144	152.3 Å²	152.3	67%	0.673	71%	0.709	S	S	*	*			cis	-142.3	-138.2	-8.2	-138.6	171	83.7	0	0	111.3	N5	Q3-N5 PolarHBondContact OE1-ND2 3.23Å
4	H	42.5	Very low	37.4	Very low	142 Å²	142	150.8 Å²	150.8	66%	0.657	70%	0.702	S	S	*	*			cis	-157.1	130	15	174.3	-86.8	0	0	0	107.1
5	N	42.8	Very low	37	Very low	104 Å²	104	145.4 Å²	145.4	56%	0.556	70%	0.703	S	S	*	*				58	144.7	91.5	-99.7	-48.4	0	0	0	114.8	Q3	Q3-N5 PolarHBondContact OE1-ND2 3.23Å
6	L	39.5	Very low	37.8	Very low	103 Å²	103	143.3 Å²	143.3	54%	0.539	71%	0.705	S	S	.	*			cis	-167	135.5	36.4	-170.4	62.4	0	0	0	115.3
7	R	38.9	Very low	37.6	Very low	200 Å²	200	148.9 Å²	148.9	76%	0.755	72%	0.716	S	S	*	*			trans	67.1	152.4	152.1	-73.5	171.9	-171.8	-170.7	3.7	120.3
8	Q	38.6	Very low	37.3	Very low	159 Å²	159	146.7 Å²	146.7	74%	0.743	72%	0.719	S	S	*	*			cis	-161.9	-178.8	2.4	-128.9	169.8	-131.1	0	0	110.1
9	S	37.5	Very low	37.1	Very low	80 Å²	80	149.6 Å²	149.6	56%	0.559	72%	0.721	S	S	*	*			cis	-161.3	170.4	-2.5	72.4	0	0	0	0	112.1
10	K	33.8	Very low	36.9	Very low	188 Å²	188	145.7 Å²	145.7	82%	0.817	71%	0.714	S	S	*	*			trans	60.1	111.8	161.6	-64.6	175.7	179.2	179.4	0	117.3
11	R	39.7	Very low	36.7	Very low	220 Å²	220	145.7 Å²	145.7	83%	0.83	71%	0.713	S	S	*	*				62.9	131	68.3	-72	-173.6	175	-122.9	11.9	113.4
12	Q	38.4	Very low	36.8	Very low	120 Å²	120	139.4 Å²	139.4	56%	0.561	70%	0.696	S	S	*	*			cis	-155.5	-175.5	-1.5	-130.3	161.1	-71.7	0	0	106.8	E14	Q12-E14 PolarHBondContact NE2-OE1 3.34Å
13	K	37.1	Very low	36.8	Very low	162 Å²	162	139 Å²	139	70%	0.704	70%	0.704	S	S	*	*			cis	-157.9	168.3	23.8	-98.9	-139.6	171.3	-153.9	0	108.4
14	E	31.8	Very low	36.6	Very low	131 Å²	131	136.4 Å²	136.4	61%	0.612	71%	0.707	S	S	*	*			cis	-167.1	-46.5	-27.4	-161.9	155	-81.3	0	0	114.1	Q12	Q12-E14 PolarHBondContact NE2-OE1 3.34Å
15	G	30.8	Very low	37.3	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	71%	0.713	S	S	*	*			trans	151.5	-173.1	-178.4	0	0	0	0	0	113.8
16	P	50.3	Low	36.8	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	72%	0.721	S	S	*	*			cis	-127.3	150.3	15.5	45.6	-31.3	0	0	0	114.7
17	R	34.7	Very low	36.5	Very low	238 Å²	238	135.7 Å²	135.7	90%	0.898	74%	0.737	S	S	*	*				66.6	157	96.4	-60.8	-176.7	177.7	-174.8	-1.5	116.8
18	S	32.7	Very low	36.2	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	74%	0.738	S	S	*	*			cis	172.3	159.3	-22.6	62.4	0	0	0	0	107.6
19	R	32.8	Very low	36.8	Very low	203 Å²	203	128.6 Å²	128.6	77%	0.766	74%	0.738	S	S	*	*			cis	-171.5	145.5	-10.9	153.8	-106.5	164.9	129.9	-5.8	105.7	E21	R19-E21 IonicContact CZ-OE2 3.36Å; R19-E21 IonicContact NE-OE2 3.22Å; R19-E21 PolarHBondContact NE-OE2 3.32Å; R19-E21 IonicContact NH2-OE2 2.68Å; R19-E21 PolarHBondContact NH2-OE2 3.29Å
20	A	32.6	Very low	36.6	Very low	70 Å²	70	128.6 Å²	128.6	58%	0.579	74%	0.743	S	S	*	*			trans	67.6	170.2	158.4	0	0	0	0	0	119.5
21	E	33.2	Very low	36.6	Very low	147 Å²	147	128.4 Å²	128.4	69%	0.687	75%	0.746	S	S	*	*			cis	-159.1	151	-21.3	-108.3	158.6	118.9	0	0	109.9	R19	R19-E21 IonicContact CZ-OE2 3.36Å; R19-E21 IonicContact NE-OE2 3.22Å; R19-E21 PolarHBondContact NE-OE2 3.32Å; R19-E21 IonicContact NH2-OE2 2.68Å; R19-E21 PolarHBondContact NH2-OE2 3.29Å
22	A	34.2	Very low	36.4	Very low	91 Å²	91	122.6 Å²	122.6	75%	0.752	74%	0.744	S	S	*	*			trans	62.6	164	145.8	0	0	0	0	0	122.7
23	S	32.2	Very low	36.2	Very low	127 Å²	127	121.4 Å²	121.4	89%	0.888	76%	0.755	S	S	*	*			trans	76.1	147.8	165.1	79.9	0	0	0	0	121.2
24	A	34.9	Very low	36.1	Very low	89 Å²	89	118.5 Å²	118.5	74%	0.736	76%	0.761	S	S	*	*			trans	-124	-178.1	171.2	0	0	0	0	0	106.6
25	P	56.5	Low	36.4	Very low	121 Å²	121	117 Å²	117	79%	0.786	77%	0.766	S	S	*	*			cis	-141.8	-171.2	9.8	43.8	-24.7	0	0	0	116.5
26	A	31.8	Very low	36.5	Very low	88 Å²	88	121 Å²	121	73%	0.727	77%	0.77	S	S	*	*			trans	80.3	157.6	148.1	0	0	0	0	0	121.6
27	S	33.8	Very low	35.7	Very low	125 Å²	125	118.9 Å²	118.9	87%	0.874	77%	0.769	S	S	*	*			trans	89.8	131.1	162.8	-50.3	0	0	0	0	119.8
28	A	33.4	Very low	35.9	Very low	92 Å²	92	111.8 Å²	111.8	76%	0.76	76%	0.761	S	S	*	*			trans	-98	-171.8	161.6	0	0	0	0	0	108.5
29	P	51.2	Low	35.9	Very low	117 Å²	117	115 Å²	115	76%	0.76	77%	0.77	S	S	*	*			cis	-145.3	-172.4	9.4	44.8	-24.6	0	0	0	117.7
30	A	33.3	Very low	36.2	Very low	80 Å²	80	112.4 Å²	112.4	66%	0.661	77%	0.771	S	S	*	*			trans	76.3	128	142.1	0	0	0	0	0	123.8
31	Q	33.8	Very low	37.5	Very low	185 Å²	185	113.5 Å²	113.5	86%	0.864	77%	0.772	S	S	*	*			trans	61.1	116.9	136.1	-64.4	178.2	4.6	0	0	120
32	A	34.2	Very low	37.6	Very low	97 Å²	97	112 Å²	112	80%	0.802	77%	0.774	S	S	*	*				92.4	157.4	83.3	0	0	0	0	0	112.5
33	A	34.8	Very low	37.7	Very low	95 Å²	95	113.2 Å²	113.2	79%	0.785	77%	0.772	S	S	*	*			cis	-157.1	-165.7	10.4	0	0	0	0	0	112.7
34	A	35.6	Very low	37.8	Very low	102 Å²	102	111.8 Å²	111.8	84%	0.843	76%	0.762	S	S	*	*			trans	77.1	146.4	160	0	0	0	0	0	118.9
35	S	37.1	Very low	37.5	Very low	100 Å²	100	116.5 Å²	116.5	70%	0.699	77%	0.768	S	S	*	*			cis	-157.3	-175.4	-14.6	57.1	0	0	0	0	107.7
36	D	32.3	Very low	36.4	Very low	152 Å²	152	116 Å²	116	81%	0.813	77%	0.768	S	S	*	*			cis	-143.6	-170.1	8.8	-101.6	-60.8	0	0	0	108.4
37	G	34.8	Very low	37	Very low	68 Å²	68	117.9 Å²	117.9	70%	0.701	77%	0.773	S	S	*	*			cis	106.2	133.9	11.7	0	0	0	0	0	112.5
38	A	38	Very low	37	Very low	90 Å²	90	118.5 Å²	118.5	74%	0.744	77%	0.771	S	S	*	*			cis	-162.3	165.8	-12	0	0	0	0	0	111.1
39	N	33.5	Very low	37.6	Very low	175 Å²	175	119.4 Å²	119.4	94%	0.936	77%	0.769	S	S	*	*			trans	168.5	161.5	136.7	-85.3	-21.3	0	0	0	115.2
40	D	38	Very low	36.5	Very low	149 Å²	149	120.1 Å²	120.1	80%	0.797	78%	0.777	S	S	*	*			trans	-118.2	-159.8	-162.1	-153	31	0	0	0	110.6
41	P	60	Low	36.4	Very low	93 Å²	93	126.5 Å²	126.5	60%	0.604	78%	0.784	S	S	*	*			cis	-146.9	177.4	0.3	39.7	-16.2	0	0	0	121
42	T	35.4	Very low	36.8	Very low	117 Å²	117	123.4 Å²	123.4	72%	0.718	78%	0.78	S	S	*	*			trans	69.1	145.6	143.9	41.8	0	0	0	0	122.9
43	T	36.5	Very low	37.1	Very low	116 Å²	116	123.6 Å²	123.6	71%	0.712	77%	0.773	S	S	*	*			cis	-165.2	152.5	-18.4	-17.7	0	0	0	0	113
44	S	33.9	Very low	37.1	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	78%	0.777	S	S	*	*			trans	52.2	157.4	142.9	65	0	0	0	0	122.7
45	Q	29.2	Very low	37.2	Very low	188 Å²	188	130.6 Å²	130.6	88%	0.879	77%	0.771	S	S	*	*			cis	-159	177.4	4.2	-127.8	165.3	48.4	0	0	111.2
46	S	33.1	Very low	36.8	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	77%	0.774	S	S	*	*			trans	-113	165	-174	-44.9	0	0	0	0	114.5
47	P	45.4	Very low	36.6	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	78%	0.775	S	S	*	*				-152.9	-174.7	89.5	39.3	-18.2	0	0	0	116.9
48	V	32.5	Very low	36.3	Very low	138 Å²	138	138.5 Å²	138.5	84%	0.836	78%	0.777	S	S	*	*			trans	-156.8	163.1	-166.8	152.3	0	0	0	0	109
49	P	46.3	Very low	35.9	Very low	112 Å²	112	139.3 Å²	139.3	73%	0.727	78%	0.777	S	S	*	*			cis	-129.8	-171.4	2.8	43.3	-27.5	0	0	0	116.3
50	S	28.3	Very low	35.8	Very low	131 Å²	131	141.3 Å²	141.3	92%	0.916	77%	0.771	S	S	*	*			trans	-167.8	166.6	146.2	-89.9	0	0	0	0	116
51	R	32.3	Very low	35.6	Very low	214 Å²	214	140.2 Å²	140.2	81%	0.808	76%	0.764	S	S	*	*			trans	-126.1	166.6	-169.8	-158.2	-163.2	-179.6	-167.2	4.3	111.3
52	P	42.2	Very low	34.2	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	77%	0.773	S	S	*	*				-150.5	-167.2	100.5	38.8	-17	0	0	0	113.8
53	P	39.3	Very low	33.9	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	78%	0.776	S	S	*	*			trans	-130.3	-164.7	-151	46.6	-32.9	0	0	0	119.1
54	R	35.2	Very low	33.6	Very low	232 Å²	232	141.3 Å²	141.3	88%	0.875	78%	0.777	S	S	*	*			trans	-89.6	139.5	-179.3	-177.7	-161.6	-163.8	-157.2	9.4	114.1
55	P	37.4	Very low	33.4	Very low	112 Å²	112	142.6 Å²	142.6	73%	0.727	78%	0.78	S	S	*	*			trans	-145.3	138.4	132.5	32.3	-14.2	0	0	0	113.8
56	Q	28.3	Very low	33.5	Very low	161 Å²	161	139.9 Å²	139.9	75%	0.752	77%	0.771	S	S	*	*				74.4	125.4	86.8	-73.2	-147.9	6	0	0	120.2
57	R	28.4	Very low	33.6	Very low	220 Å²	220	141.5 Å²	141.5	83%	0.83	77%	0.77	S	S	*	*			trans	70.6	138.3	139.6	-92.1	-171.5	169.1	-149.9	-0.5	124.2
58	S	28.3	Very low	32.9	Very low	106 Å²	106	141 Å²	141	74%	0.741	77%	0.77	S	S	*	*			trans	65.9	148.6	147.2	42.4	0	0	0	0	120.9
59	S	31.3	Very low	33.1	Very low	107 Å²	107	142.3 Å²	142.3	75%	0.748	77%	0.767	S	S	*	*			cis	-177.5	160.8	-15.2	53.4	0	0	0	0	113.7
60	R	31.2	Very low	32.9	Very low	217 Å²	217	143 Å²	143	82%	0.819	77%	0.771	S	S	*	*			trans	84	163.3	144.9	-152.5	-173.1	174.9	164.9	1.8	119.1
61	I	32.8	Very low	32.9	Very low	126 Å²	126	141.9 Å²	141.9	65%	0.646	76%	0.759	S	S	*	*			trans	84.9	94.3	167.1	-57.3	-176.5	0	0	0	112.5
62	E	31	Very low	32.9	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	75%	0.751	S	S	*	*				74.7	137.5	96	-68.7	157.6	-143.1	0	0	112.5
63	G	28.6	Very low	32.2	Very low	75 Å²	75	139 Å²	139	77%	0.773	75%	0.751	S	S	*	*			cis	-166.2	-171.4	-6.6	0	0	0	0	0	106.9
64	S	31.2	Very low	31.7	Very low	105 Å²	105	139 Å²	139	73%	0.734	75%	0.746	S	S	*	*			cis	162.9	121.9	-8.5	174.5	0	0	0	0	104.4
65	V	29.8	Very low	31.4	Very low	123 Å²	123	136.2 Å²	136.2	75%	0.745	74%	0.74	S	S	*	*			trans	57.1	162.8	175.6	-87.6	0	0	0	0	117.7
66	D	30.2	Very low	30.9	Very low	130 Å²	130	137.4 Å²	137.4	70%	0.695	75%	0.746	S	S	*	*			cis	-145.6	-179.4	4.8	-135	-36	0	0	0	115.3
67	I	36.5	Very low	31.2	Very low	146 Å²	146	137.6 Å²	137.6	75%	0.749	75%	0.746	S	S	*	*			trans	-56.1	143.2	175.6	-63.4	154.7	0	0	0	114.4
68	S	30.8	Very low	32.1	Very low	117 Å²	117	133 Å²	133	82%	0.818	75%	0.745	S	S	*	*			trans	-159.6	138.5	148.5	-60.6	0	0	0	0	111.9
69	E	35.9	Very low	32.3	Very low	164 Å²	164	136.6 Å²	136.6	77%	0.766	75%	0.748	S	S	*	*			trans	-76.6	178	154.6	-58.4	-174.9	129.6	0	0	109.8
70	P	42.1	Very low	32.2	Very low	126 Å²	126	138.9 Å²	138.9	82%	0.818	76%	0.757	S	S	*	*				-149.1	157	91.3	41.2	-25.1	0	0	0	117.7
71	T	27	Very low	32.4	Very low	108 Å²	108	137.2 Å²	137.2	66%	0.663	76%	0.758	S	S	*	*			trans	-61	174.3	152.5	49.4	0	0	0	0	111.8
72	V	32.3	Very low	33.2	Very low	108 Å²	108	137.3 Å²	137.3	66%	0.655	77%	0.768	S	S	*	*			cis	-169.9	147.9	-13.3	132.7	0	0	0	0	107.6
73	E	29.2	Very low	33.3	Very low	165 Å²	165	139 Å²	139	77%	0.771	77%	0.767	S	S	*	*			trans	61.7	172.6	162.8	-81.1	170.6	-155.9	0	0	118.9
74	N	27.9	Very low	33.5	Very low	102 Å²	102	142.2 Å²	142.2	55%	0.545	77%	0.771	S	S	.	*			cis	-145.3	-169	-4.3	-138.4	-55.3	0	0	0	112.8
75	K	28.9	Very low	33.6	Very low	174 Å²	174	142.6 Å²	142.6	76%	0.757	76%	0.761	S	S	*	*			trans	-49.2	164	175.2	-57.9	142.4	-167.1	157.4	0	114.5
76	T	27.3	Very low	34.4	Very low	137 Å²	137	142.9 Å²	142.9	84%	0.84	77%	0.765	S	S	*	*				-162.5	171.3	53.9	50.6	0	0	0	0	116.6
77	E	34.9	Very low	34.3	Very low	164 Å²	164	145.3 Å²	145.3	77%	0.766	77%	0.77	S	S	*	*			trans	-61.9	176.8	159.9	-72.4	-159.1	151.2	0	0	113.3
78	P	47.3	Very low	33.9	Very low	125 Å²	125	143.2 Å²	143.2	81%	0.812	77%	0.774	S	S	*	*			cis	-147.1	-151.2	26.5	45.1	-21.4	0	0	0	118.4
79	K	31.3	Very low	33.6	Very low	181 Å²	181	147.2 Å²	147.2	79%	0.787	78%	0.777	S	S	*	*			trans	-106.3	157	-164.9	-47.5	156.9	-177	157.3	0	114.8
80	T	29.6	Very low	34.2	Very low	154 Å²	154	145 Å²	145	95%	0.945	78%	0.777	S	S	*	*			trans	-165.8	167	131	17.2	0	0	0	0	114.2
81	E	35.6	Very low	33.3	Very low	182 Å²	182	150.2 Å²	150.2	85%	0.85	78%	0.78	S	S	*	*			trans	-104.5	175.3	-177.8	-114.5	178.8	-131.2	0	0	111.6
82	P	50.4	Low	33.3	Very low	129 Å²	129	150.8 Å²	150.8	84%	0.838	78%	0.783	S	S	*	*			cis	-149.7	-143.9	47.7	42.4	-17.6	0	0	0	117.5
83	R	32.8	Very low	33	Very low	205 Å²	205	152.1 Å²	152.1	77%	0.774	78%	0.782	S	S	*	*			trans	-142.8	155.6	-152.1	155	-171.9	175	-142.2	-3.6	114.7
84	V	33.1	Very low	33.3	Very low	142 Å²	142	150 Å²	150	86%	0.861	78%	0.783	S	S	*	*			trans	-177.4	169.4	139.3	142	0	0	0	0	115.2
85	E	33.2	Very low	33.1	Very low	113 Å²	113	152.1 Å²	152.1	53%	0.528	79%	0.787	S	S	.	*			trans	-86.9	173.2	-163.5	-122.2	166.8	-97.1	0	0	117.1	K87	E85-K87 WeakPolarHBondContact OE2-CE 3.46Å; E85-K87 IonicContact OE2-NZ 3.86Å; E85-K87 PolarHBondContact OE2-NZ 2.7Å
86	P	47.3	Very low	32.9	Very low	129 Å²	129	150.3 Å²	150.3	84%	0.838	79%	0.791	S	S	*	*				-153.6	-152.7	72.9	41.6	-17.6	0	0	0	118.5
87	K	27.2	Very low	32.7	Very low	180 Å²	180	153 Å²	153	78%	0.783	79%	0.791	S	S	*	*			trans	-138.5	162.3	-155	-50	163.8	-172.6	159	0	117.1	E85	E85-K87 WeakPolarHBondContact OE2-CE 3.46Å; E85-K87 IonicContact OE2-NZ 3.86Å; E85-K87 PolarHBondContact OE2-NZ 2.7Å
88	A	27.4	Very low	32.8	Very low	102 Å²	102	150.5 Å²	150.5	84%	0.843	79%	0.789	S	S	*	*			trans	-165.4	174.8	155.9	0	0	0	0	0	116.6
89	K	25.9	Very low	31.7	Very low	202 Å²	202	153.6 Å²	153.6	88%	0.878	79%	0.79	S	S	*	*			trans	-144.6	-154.4	176.5	-52.4	-177.6	179.9	179.6	0	110.1
90	P	48	Very low	31.3	Very low	117 Å²	117	151.4 Å²	151.4	76%	0.76	79%	0.791	S	S	*	*			cis	-142.8	-161.9	-20.2	40.4	-18.3	0	0	0	116.9
91	R	23.7	Very low	31.1	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	79%	0.785	S	S	*	*			trans	103	169.9	147.8	-147.2	173.2	-178.3	173.5	0.8	120.3
92	V	26.4	Very low	31.4	Very low	120 Å²	120	149.4 Å²	149.4	73%	0.727	78%	0.782	S	S	*	*				-168.1	137.1	-88.5	147.1	0	0	0	0	114.9
93	E	25.6	Very low	30.2	Very low	137 Å²	137	153.9 Å²	153.9	64%	0.64	78%	0.782	S	S	*	*			trans	59.9	169.8	158.8	-86.5	-160.3	-159.7	0	0	122.2	K95	E93-K95 WeakPolarHBondContact OE1-CE 3.4Å; E93-K95 IonicContact OE1-NZ 2.65Å; E93-K95 PolarHBondContact OE1-NZ 3.28Å; E93-K95 VanDerWaalsContact OE2-CE 3.25Å; E93-K95 WeakPolarHBondContact OE2-CE 3.38Å; E93-K95 IonicContact OE2-NZ 3.61Å; E93-K95 PolarHBondContact OE2-NZ 2.96Å
94	P	36.4	Very low	29.9	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	78%	0.782	S	S	*	*			cis	-140.3	-156.8	25.2	44.4	-21.8	0	0	0	119.4
95	K	23.4	Very low	29.6	Very low	147 Å²	147	149.6 Å²	149.6	64%	0.639	77%	0.77	S	S	*	*			trans	-104.8	-172.9	-163.8	-61.8	114	174.6	176.1	0	114.8	E93	E93-K95 WeakPolarHBondContact OE1-CE 3.4Å; E93-K95 IonicContact OE1-NZ 2.65Å; E93-K95 PolarHBondContact OE1-NZ 3.28Å; E93-K95 VanDerWaalsContact OE2-CE 3.25Å; E93-K95 WeakPolarHBondContact OE2-CE 3.38Å; E93-K95 IonicContact OE2-NZ 3.61Å; E93-K95 PolarHBondContact OE2-NZ 2.96Å
96	T	24.1	Very low	29.8	Very low	135 Å²	135	150 Å²	150	83%	0.828	78%	0.783	S	S	*	*			cis	-158.4	-126.3	35.4	-37.4	0	0	0	0	117.2
97	K	23.5	Very low	28.8	Very low	193 Å²	193	151 Å²	151	84%	0.839	77%	0.774	S	S	*	*			trans	-159.5	-166.6	-164.4	-57.8	-170.6	179.1	-177.4	0	110.1
98	P	37.6	Very low	28.7	Very low	112 Å²	112	148.3 Å²	148.3	73%	0.727	77%	0.772	S	S	*	*			cis	-144.9	-162	-1.2	44.8	-23	0	0	0	117.8
99	K	23.6	Very low	28.7	Very low	191 Å²	191	150 Å²	150	83%	0.83	76%	0.763	S	S	*	*			trans	76.2	153.4	163.5	-72.8	-177.2	176.2	-175.1	0	118.8
100	T	23.1	Very low	29.3	Very low	134 Å²	134	146.1 Å²	146.1	82%	0.822	76%	0.758	S	S	*	*			cis	-149.7	176.4	7.7	-13.2	0	0	0	0	114.5
101	E	25.3	Very low	28.2	Very low	172 Å²	172	147.7 Å²	147.7	80%	0.804	75%	0.753	S	S	*	*			trans	-68.8	-178.8	174.5	-92.9	175.1	-141.1	0	0	116.1
102	P	41.5	Very low	28.2	Very low	123 Å²	123	143 Å²	143	80%	0.799	75%	0.75	S	S	*	*			cis	-137.4	-161.8	19.1	44.3	-25.3	0	0	0	114.8
103	R	24.3	Very low	28.4	Very low	222 Å²	222	145.6 Å²	145.6	84%	0.838	76%	0.755	S	S	*	*			cis	177	143.9	-39	176.6	-165.2	169.4	-166.8	-2	106.6
104	V	26.4	Very low	29	Very low	129 Å²	129	144.5 Å²	144.5	78%	0.782	76%	0.76	S	S	*	*			trans	160.8	149.7	136.8	157.6	0	0	0	0	113.8
105	E	28.4	Very low	28.5	Very low	128 Å²	128	148.7 Å²	148.7	60%	0.598	76%	0.76	S	S	*	*			trans	-107.9	172.2	-170.1	-86	-176.7	152.1	0	0	112.2	K107	E105-K107 VanDerWaalsContact CD-CE 3.47Å; E105-K107 WeakPolarHBondContact OE1-CE 3.48Å; E105-K107 IonicContact OE1-NZ 2.77Å; E105-K107 PolarHBondContact OE1-NZ 2.99Å; E105-K107 WeakPolarHBondContact OE2-CE 3.47Å; E105-K107 IonicContact OE2-NZ 2.73Å; E105-K107 PolarHBondContact OE2-NZ 2.58Å
106	P	36.6	Very low	28.7	Very low	122 Å²	122	148.5 Å²	148.5	79%	0.792	77%	0.771	S	S	*	*			cis	-133.5	166.1	49.4	29	-4.4	0	0	0	116.2
107	K	25.6	Very low	29	Very low	151 Å²	151	148.5 Å²	148.5	66%	0.657	76%	0.761	S	S	*	*			cis	77	142.5	37.3	-74.9	177.3	171.4	156.6	0	114.2	E105	E105-K107 VanDerWaalsContact CD-CE 3.47Å; E105-K107 WeakPolarHBondContact OE1-CE 3.48Å; E105-K107 IonicContact OE1-NZ 2.77Å; E105-K107 PolarHBondContact OE1-NZ 2.99Å; E105-K107 WeakPolarHBondContact OE2-CE 3.47Å; E105-K107 IonicContact OE2-NZ 2.73Å; E105-K107 PolarHBondContact OE2-NZ 2.58Å
108	T	25.5	Very low	29.5	Very low	122 Å²	122	145.3 Å²	145.3	75%	0.748	76%	0.76	S	S	*	*			cis	-132.6	155.4	10.1	44	0	0	0	0	111.3
109	E	27.7	Very low	28.8	Very low	138 Å²	138	148.6 Å²	148.6	65%	0.645	76%	0.763	S	S	*	*				57.7	145.8	67.7	-80.7	-137.4	140.3	0	0	115.7	K111	E109-K111 IonicContact OE1-NZ 3.31Å; E109-K111 PolarHBondContact OE1-NZ 3.44Å; E109-K111 IonicContact OE2-NZ 2.65Å
110	P	38.8	Very low	28.9	Very low	120 Å²	120	146.4 Å²	146.4	78%	0.779	77%	0.766	S	S	*	*			cis	-140.1	-165.4	34.6	44.8	-25.9	0	0	0	118.5
111	K	24	Very low	29.1	Very low	151 Å²	151	149.2 Å²	149.2	66%	0.657	77%	0.77	S	S	*	*			trans	-87.9	-177.8	-179.9	-50.4	174.4	-176.5	72.5	0	111.1	E109	E109-K111 IonicContact OE1-NZ 3.31Å; E109-K111 PolarHBondContact OE1-NZ 3.44Å; E109-K111 IonicContact OE2-NZ 2.65Å
112	T	25.1	Very low	29.7	Very low	135 Å²	135	146.8 Å²	146.8	83%	0.828	77%	0.769	S	S	*	*			cis	-165.3	175.4	28.4	-26.6	0	0	0	0	112.3
113	E	30	Very low	28.8	Very low	175 Å²	175	152.1 Å²	152.1	82%	0.818	77%	0.773	S	S	*	*			trans	-56.9	174	172.8	-84.4	-177.9	-156.3	0	0	117.3
114	P	38.9	Very low	29	Very low	114 Å²	114	147.1 Å²	147.1	74%	0.74	77%	0.767	S	S	*	*			cis	-146.9	159.8	26	42.4	-21.6	0	0	0	122.3
115	R	25.6	Very low	29.1	Very low	208 Å²	208	147.4 Å²	147.4	79%	0.785	76%	0.759	S	S	*	*			trans	28.9	120.2	139.3	-171.1	-170.2	-174.3	-163.9	2.7	123
116	V	26.8	Very low	29.3	Very low	144 Å²	144	147.4 Å²	147.4	87%	0.873	77%	0.771	S	S	*	*			trans	-149.7	149	132.5	179.2	0	0	0	0	109.4
117	E	30.4	Very low	28.8	Very low	134 Å²	134	149.2 Å²	149.2	63%	0.626	77%	0.766	S	S	*	*			trans	-93.8	162.9	175.8	-59.7	170.8	-159	0	0	112.7
118	P	33.8	Very low	28.8	Very low	126 Å²	126	148.2 Å²	148.2	82%	0.818	77%	0.773	S	S	*	*				-148.1	142.4	99.1	36.3	-19.3	0	0	0	118
119	K	23.9	Very low	28.8	Very low	182 Å²	182	151.4 Å²	151.4	79%	0.791	78%	0.776	S	S	*	*			trans	-12.7	144.4	154.6	-53.3	165.5	-176.9	172	0	119.8
120	T	25.1	Very low	29.7	Very low	144 Å²	144	149.7 Å²	149.7	88%	0.883	78%	0.777	S	S	*	*				-165	128.7	117.4	28.7	0	0	0	0	112.2
121	E	28.4	Very low	29	Very low	194 Å²	194	152.9 Å²	152.9	91%	0.907	78%	0.779	S	S	*	*			trans	-156.7	158.5	150.8	-110.8	-163.2	-167.2	0	0	110.4
122	P	36.5	Very low	29	Very low	120 Å²	120	151.8 Å²	151.8	78%	0.779	79%	0.785	S	S	*	*			trans	-95.4	178.6	-166.8	38.6	-36.9	0	0	0	114.9
123	R	22.8	Very low	29.2	Very low	236 Å²	236	153.2 Å²	153.2	89%	0.891	78%	0.782	S	S	*	*			trans	-151.3	151.3	-179.1	-160.1	-160.3	164.7	-160.1	-4.8	114.3
124	V	28.5	Very low	29.5	Very low	116 Å²	116	150.9 Å²	150.9	70%	0.703	78%	0.782	S	S	*	*			trans	100.1	132.7	156.7	-168.3	0	0	0	0	117.4
125	E	29	Very low	28.8	Very low	135 Å²	135	154.2 Å²	154.2	63%	0.631	78%	0.78	S	S	*	*			trans	-94.5	165.8	178.5	-38	150.2	111.1	0	0	112.1	K127	E125-K127 IonicContact OE1-NZ 2.95Å; E125-K127 PolarHBondContact OE1-NZ 3.38Å; E125-K127 IonicContact OE2-NZ 3.17Å; E125-K127 PolarHBondContact OE2-NZ 3.11Å
126	P	32.3	Very low	28.9	Very low	128 Å²	128	151.3 Å²	151.3	83%	0.831	79%	0.785	S	S	*	*			trans	-88.8	142.2	159.3	34.7	-31.4	0	0	0	112.6
127	K	27	Very low	29.1	Very low	160 Å²	160	150.7 Å²	150.7	70%	0.696	77%	0.773	S	S	*	*			trans	-143.2	133.6	170.1	-75.9	-166.5	168.6	94.5	0	113.7	E125	E125-K127 IonicContact OE1-NZ 2.95Å; E125-K127 PolarHBondContact OE1-NZ 3.38Å; E125-K127 IonicContact OE2-NZ 3.17Å; E125-K127 PolarHBondContact OE2-NZ 3.11Å
128	T	24.7	Very low	29.7	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	78%	0.781	S	S	*	*			trans	-156.6	152.2	166.2	39	0	0	0	0	106.2
129	K	25.6	Very low	29.4	Very low	189 Å²	189	154.4 Å²	154.4	82%	0.822	79%	0.787	S	S	*	*			cis	-167	-171.5	12.6	-115.5	168.7	-176.8	177.4	0	105.6
130	P	45.8	Very low	29.5	Very low	102 Å²	102	149.8 Å²	149.8	66%	0.662	78%	0.782	S	S	*	*			cis	-136.5	-170	-35.3	39.9	-22.3	0	0	0	114.2
131	K	24.8	Very low	29.7	Very low	187 Å²	187	151.5 Å²	151.5	81%	0.813	78%	0.78	S	S	*	*			trans	75.7	144.4	157.7	-70.9	-171.6	177	-174.2	0	118.3
132	T	25.1	Very low	30.6	Very low	129 Å²	129	146.5 Å²	146.5	79%	0.791	76%	0.764	S	S	*	*			cis	-144.1	172.8	1.7	-11.6	0	0	0	0	113
133	E	29.3	Very low	30	Very low	164 Å²	164	149.5 Å²	149.5	77%	0.766	77%	0.765	S	S	*	*			trans	-81.9	-172.3	-171.3	-52.3	170.8	174.4	0	0	115.4
134	P	34.3	Very low	30.1	Very low	126 Å²	126	144.3 Å²	144.3	82%	0.818	76%	0.76	S	S	*	*				-135.4	124.3	101.3	36.9	-27.5	0	0	0	117.6
135	R	25.2	Very low	30.4	Very low	184 Å²	184	146.9 Å²	146.9	69%	0.694	76%	0.764	S	S	*	*				29.5	120.5	128.7	-175.6	-173.1	-177.5	-167.7	2.2	120.4	E137	R135-E137 IonicContact CZ-OE1 3.5Å; R135-E137 IonicContact NE-OE1 3.21Å; R135-E137 PolarHBondContact NE-OE1 2.82Å; R135-E137 IonicContact NH2-OE1 3.19Å; R135-E137 PolarHBondContact NH2-OE1 3.28Å
136	V	27.5	Very low	31	Very low	148 Å²	148	146.5 Å²	146.5	90%	0.897	77%	0.774	S	S	*	*			trans	-141.6	152.1	130.3	-179.3	0	0	0	0	109
137	E	30.6	Very low	30.8	Very low	130 Å²	130	150.3 Å²	150.3	61%	0.607	77%	0.771	S	S	*	*			trans	-88.4	163.1	-173.7	-80.6	143.4	-132.5	0	0	115.1	R135	R135-E137 IonicContact CZ-OE1 3.5Å; R135-E137 IonicContact NE-OE1 3.21Å; R135-E137 PolarHBondContact NE-OE1 2.82Å; R135-E137 IonicContact NH2-OE1 3.19Å; R135-E137 PolarHBondContact NH2-OE1 3.28Å
138	P	44.5	Very low	30.8	Very low	122 Å²	122	149.6 Å²	149.6	79%	0.792	78%	0.78	S	S	*	*			trans	-95.4	160.7	-164	37.3	-36.9	0	0	0	115.8
139	K	25.8	Very low	31	Very low	217 Å²	217	151 Å²	151	94%	0.943	78%	0.778	S	S	*	*			trans	-139.3	157.3	160.8	-84.5	-169.6	174.9	179.2	0	111.6
140	A	26.9	Very low	31.9	Very low	84 Å²	84	146.8 Å²	146.8	69%	0.694	77%	0.77	S	S	*	*			trans	-93.4	156.7	-159	0	0	0	0	0	116
141	E	30.2	Very low	31.1	Very low	180 Å²	180	150.9 Å²	150.9	84%	0.841	78%	0.777	S	S	*	*			trans	64.7	167.6	136.9	-89.5	-175.5	-126.7	0	0	121
142	P	45.7	Very low	31.1	Very low	89 Å²	89	148.2 Å²	148.2	58%	0.578	78%	0.777	S	S	*	*			cis	-138.6	-177.4	-19.3	31	-9.7	0	0	0	116
143	K	25.3	Very low	31.5	Very low	183 Å²	183	150.3 Å²	150.3	80%	0.796	78%	0.777	S	S	*	*			trans	85.4	148.4	136.5	-95.2	170.1	-174.6	174	0	124
144	T	23.2	Very low	32.3	Very low	128 Å²	128	148.9 Å²	148.9	79%	0.785	78%	0.782	S	S	*	*			trans	76.9	111.1	147.4	40.3	0	0	0	0	122.9
145	E	34.8	Very low	31.9	Very low	170 Å²	170	153.1 Å²	153.1	79%	0.794	78%	0.782	S	S	*	*			trans	-19.4	153.7	130.7	-111.2	-178.8	-110.2	0	0	117
146	P	42.3	Very low	32	Very low	127 Å²	127	151.3 Å²	151.3	83%	0.825	79%	0.791	S	S	*	*				-148	169.2	79.9	39.7	-21.7	0	0	0	118.7
147	R	28.4	Very low	32.2	Very low	208 Å²	208	151.9 Å²	151.9	79%	0.785	78%	0.784	S	S	*	*			trans	-80.5	156.7	175.8	167.1	-172.7	179.5	-158.8	2.9	113.8
148	V	25.9	Very low	32.8	Very low	145 Å²	145	150.4 Å²	150.4	88%	0.879	79%	0.785	S	S	*	*			trans	-178.1	146.8	138.3	142	0	0	0	0	113.3
149	E	30.8	Very low	31.9	Very low	160 Å²	160	153.8 Å²	153.8	75%	0.748	79%	0.788	S	S	*	*			trans	-108.8	174.7	179.8	-113	172.3	-131	0	0	110
150	P	44.2	Very low	31.9	Very low	100 Å²	100	150.1 Å²	150.1	65%	0.649	78%	0.784	S	S	*	*				-164.3	-169.1	52.8	41.6	-16.1	0	0	0	119.9
151	K	27.5	Very low	32.2	Very low	187 Å²	187	153.6 Å²	153.6	81%	0.813	79%	0.786	S	S	*	*			trans	79.6	144	158	-64.6	-179.2	-178.9	-179.5	0	118.9
152	T	26.4	Very low	33.1	Very low	132 Å²	132	150.7 Å²	150.7	81%	0.81	78%	0.783	S	S	*	*			cis	-159	159.5	-4	8.5	0	0	0	0	112.3
153	E	32.4	Very low	32.2	Very low	172 Å²	172	156.5 Å²	156.5	80%	0.804	79%	0.793	S	S	*	*			trans	-84.2	177.4	171.9	-49.3	-176.1	148.4	0	0	114
154	P	46.8	Very low	32.3	Very low	135 Å²	135	154.6 Å²	154.6	88%	0.877	80%	0.796	S	S	*	*				-144.7	176.8	84.3	39.4	-21.9	0	0	0	117.2
155	R	26.1	Very low	32.9	Very low	214 Å²	214	156.3 Å²	156.3	81%	0.808	80%	0.795	S	S	*	*			trans	-108.8	146.1	-167.3	161.3	-166.6	176.2	-156.4	3.3	114.4
156	V	26.4	Very low	33.6	Very low	146 Å²	146	152.9 Å²	152.9	89%	0.885	79%	0.788	S	S	*	*			trans	-145.3	139.1	159.6	-175	0	0	0	0	112.4
157	E	32.7	Very low	33	Very low	161 Å²	161	155.6 Å²	155.6	75%	0.752	79%	0.787	S	S	*	*			trans	-157.9	149.8	169.5	-137	-167.8	-119.7	0	0	105.8
158	P	42	Very low	33	Very low	98 Å²	98	149.7 Å²	149.7	64%	0.636	78%	0.783	S	S	*	*				-165.1	174.3	76	44.2	-23.1	0	0	0	119.5
159	K	26.8	Very low	33.5	Very low	193 Å²	193	150.1 Å²	150.1	84%	0.839	78%	0.775	S	S	*	*			trans	61.1	149.8	148.7	-71	164.5	-179.1	179.9	0	119.3
160	T	25.4	Very low	34.4	Very low	141 Å²	141	147.4 Å²	147.4	87%	0.865	77%	0.771	S	S	*	*			cis	-147.2	165.9	33.4	41.5	0	0	0	0	114.9
161	E	33.3	Very low	33.8	Very low	156 Å²	156	151.2 Å²	151.2	73%	0.729	78%	0.777	S	S	*	*			trans	-100.4	173.3	172	-136.7	-163.7	-93.9	0	0	111.4	R163	E161-R163 WeakPolarHBondContact OE2-CB 3.12Å; E161-R163 PolarHBondContact OE2-N 2.89Å
162	P	49.2	Very low	34	Very low	120 Å²	120	147.2 Å²	147.2	78%	0.779	78%	0.78	S	S	*	*				-151.8	140.1	66.4	38.3	-16.2	0	0	0	120.1
163	R	26.8	Very low	34.4	Very low	211 Å²	211	148 Å²	148	80%	0.796	77%	0.774	S	S	*	*				22.2	130.9	128.4	179.9	-176.6	-173.6	-160.4	4.3	122.7	E161	E161-R163 WeakPolarHBondContact OE2-CB 3.12Å; E161-R163 PolarHBondContact OE2-N 2.89Å
164	V	26.4	Very low	34.9	Very low	142 Å²	142	145.9 Å²	145.9	86%	0.861	78%	0.775	S	S	*	*				-153.2	134.6	117.2	174.9	0	0	0	0	111
165	E	36.7	Very low	34.1	Very low	165 Å²	165	147.9 Å²	147.9	77%	0.771	77%	0.77	S	S	*	*			trans	-151.4	178.2	169.6	-126.8	-150.8	-132.5	0	0	106.8
166	P	48.8	Very low	34.3	Very low	98 Å²	98	142.6 Å²	142.6	64%	0.636	77%	0.772	S	S	*	*			cis	-117.6	-143.4	19.6	30.6	-5.9	0	0	0	111.8
167	K	29.7	Very low	34.8	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	77%	0.766	S	S	*	*			cis	-165.7	178.6	18.6	-141	-175	174.3	-172.7	0	107.3
168	A	27.9	Very low	35.3	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	77%	0.771	S	S	*	*			cis	-157.5	-146.4	17.6	0	0	0	0	0	116
169	E	36.6	Very low	34.8	Very low	154 Å²	154	145.8 Å²	145.8	72%	0.72	78%	0.778	S	S	*	*			trans	-145.7	-177.3	-162.3	-48.4	-167.6	126.9	0	0	109.6
170	P	51	Low	35	Very low	103 Å²	103	141.3 Å²	141.3	67%	0.669	78%	0.777	S	S	*	*			cis	-145.4	157.3	8.1	40	-18.9	0	0	0	121
171	K	32	Very low	35.4	Very low	179 Å²	179	142.4 Å²	142.4	78%	0.778	77%	0.772	S	S	*	*			trans	44.8	132.8	135	-58.9	170.5	-177.3	172.2	0	122.4
172	A	30.2	Very low	35.8	Very low	104 Å²	104	141.1 Å²	141.1	86%	0.86	78%	0.777	S	S	*	*				166.1	158.6	103	0	0	0	0	0	114.8
173	E	34.8	Very low	34.9	Very low	148 Å²	148	143.7 Å²	143.7	69%	0.692	78%	0.776	S	S	*	*			trans	-96.9	164.5	177.6	-142	-177.7	-96.4	0	0	111	K175	E173-K175 WeakPolarHBondContact OE2-CE 3.23Å
174	P	44.1	Very low	34.9	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	78%	0.781	S	S	*	*				-152.4	-165	89	41.1	-20.8	0	0	0	115.8
175	K	30.3	Very low	35.3	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	78%	0.778	S	S	*	*			trans	-117.5	171.1	-163.5	-55.1	172.5	-178.3	172.9	0	115.5	E173	E173-K175 WeakPolarHBondContact OE2-CE 3.23Å
176	A	30.2	Very low	35.4	Very low	103 Å²	103	140.3 Å²	140.3	85%	0.851	78%	0.782	S	S	*	*			trans	110.8	148.7	139.2	0	0	0	0	0	120
177	E	36.3	Very low	34.4	Very low	160 Å²	160	144 Å²	144	75%	0.748	79%	0.788	S	S	*	*			trans	-79.6	173.7	176.6	-52.3	-177.8	152.2	0	0	112.6
178	P	43.6	Very low	34.4	Very low	132 Å²	132	141.4 Å²	141.4	86%	0.857	79%	0.787	S	S	*	*				-143.3	-179.7	98	40.1	-26.5	0	0	0	115.7
179	K	31	Very low	34.7	Very low	180 Å²	180	145.4 Å²	145.4	78%	0.783	79%	0.791	S	S	*	*			trans	-105.1	166.2	-178.9	-64.5	178.8	178.3	177.1	0	113.9
180	A	30.9	Very low	34.9	Very low	99 Å²	99	143.5 Å²	143.5	82%	0.818	79%	0.792	S	S	*	*			trans	101.2	123.6	144.2	0	0	0	0	0	121
181	E	34.6	Very low	33.7	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.762	80%	0.798	S	S	*	*			trans	3.5	147.5	141.3	-89.5	-177.6	-118	0	0	121.2
182	P	40.5	Very low	33.6	Very low	129 Å²	129	144.8 Å²	144.8	84%	0.838	80%	0.799	S	S	*	*				-145.9	-178.1	75.4	40.3	-21.8	0	0	0	118.2
183	K	30.4	Very low	33.6	Very low	174 Å²	174	148.3 Å²	148.3	76%	0.757	80%	0.797	S	S	*	*			trans	-88.9	156.6	-172.3	-47.9	167.1	-177.7	175.6	0	114.6
184	T	27.5	Very low	33.6	Very low	148 Å²	148	147 Å²	147	91%	0.908	80%	0.801	S	S	*	*				-170.8	157.3	128.4	22.3	0	0	0	0	113.2
185	E	34.7	Very low	33	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	80%	0.798	S	S	*	*			trans	-82.2	170.2	171.6	-49.5	179.3	154.6	0	0	112.2
186	P	39.3	Very low	33.4	Very low	132 Å²	132	143 Å²	143	86%	0.857	80%	0.801	S	S	*	*				-145.5	-167.2	88.6	39.1	-20.7	0	0	0	115.8
187	K	27.3	Very low	33.3	Very low	176 Å²	176	146.6 Å²	146.6	77%	0.765	80%	0.801	S	S	*	*			trans	-93.1	166.2	-157.3	-61.5	178.2	175.6	178.8	0	118.1
188	T	29.1	Very low	32.8	Very low	128 Å²	128	145.8 Å²	145.8	79%	0.785	81%	0.807	S	S	*	*			trans	74.5	112.9	144.7	35.8	0	0	0	0	121.7
189	E	35.2	Very low	32.1	Very low	168 Å²	168	146.8 Å²	146.8	79%	0.785	81%	0.805	S	S	*	*				21.6	145.3	126	-97.5	-170.1	-111.4	0	0	121.5
190	P	39.1	Very low	32	Very low	115 Å²	115	147.3 Å²	147.3	75%	0.747	81%	0.81	S	S	*	*				-151.1	159.2	63.7	42.5	-23.8	0	0	0	120.3
191	K	27.2	Very low	32	Very low	180 Å²	180	149.8 Å²	149.8	78%	0.783	81%	0.809	S	S	*	*			trans	53.6	121	139.8	-77.4	-170.5	175.4	-177.7	0	124.4
192	T	28.5	Very low	31.8	Very low	129 Å²	129	149.8 Å²	149.8	79%	0.791	81%	0.809	S	S	*	*				95.2	125.4	124.5	-60.9	0	0	0	0	120
193	E	31.7	Very low	31.1	Very low	177 Å²	177	150.3 Å²	150.3	83%	0.827	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-98.9	142.4	177.6	169	-177.2	-142.8	0	0	110.9
194	P	33.6	Very low	31.1	Very low	120 Å²	120	148.3 Å²	148.3	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-97.5	128.1	173.8	34.6	-29.8	0	0	0	112.9
195	A	31.9	Very low	32.3	Very low	91 Å²	91	146 Å²	146	75%	0.752	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.8	155.8	169.8	0	0	0	0	0	112
196	P	39.2	Very low	32.1	Very low	131 Å²	131	145 Å²	145	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.6	153	-167.2	31.5	-36.5	0	0	0	114.6
197	Q	28.1	Very low	31.7	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-89.7	143.4	176.3	-63.1	177.4	-57.1	0	0	112.4
198	T	26.2	Very low	31.9	Very low	143 Å²	143	141.7 Å²	141.7	88%	0.877	79%	0.792	S	S	*	*			trans	-112.4	131.7	159.3	39.6	0	0	0	0	109.4
199	N	29.3	Very low	31.9	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	79%	0.791	S	S	*	*			trans	-89.4	127.4	-176.9	-80.7	-16.3	0	0	0	112.2
200	Q	28.4	Very low	31.7	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	79%	0.79	S	S	*	*			trans	-143.2	115.8	147.7	-67.8	-167.3	4.8	0	0	110
201	N	30.5	Very low	31.3	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	79%	0.791	S	S	*	*			trans	-92.4	166.4	149.2	-77	6.1	0	0	0	106.5
202	E	30.4	Very low	31.4	Very low	163 Å²	163	139.7 Å²	139.7	76%	0.762	80%	0.795	S	S	*	*			cis	-162.9	133.6	25.1	-158.8	160.5	-116.8	0	0	110.8
203	T	26.6	Very low	32.3	Very low	141 Å²	141	138.3 Å²	138.3	87%	0.865	79%	0.789	S	S	*	*			trans	174.2	159.8	142.6	22.9	0	0	0	0	112.4
204	T	30.4	Very low	32.2	Very low	132 Å²	132	137.9 Å²	137.9	81%	0.81	79%	0.786	S	S	*	*			trans	-138.4	-175.3	-179.6	54.1	0	0	0	0	109.2
205	P	52.6	Low	31.8	Very low	100 Å²	100	137.8 Å²	137.8	65%	0.649	78%	0.784	S	S	*	*				-119.8	179.1	-71.1	38.1	-23.5	0	0	0	111.4
206	D	30.7	Very low	31.6	Very low	147 Å²	147	138.1 Å²	138.1	79%	0.786	78%	0.781	S	S	*	*				170.1	161.6	105.6	-110.6	-35.3	0	0	0	116
207	D	30.8	Very low	31.1	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	77%	0.771	S	S	*	*			trans	66.7	127.1	151.5	-111.7	-28.7	0	0	0	125.9
208	S	30.2	Very low	31.1	Very low	96 Å²	96	136.5 Å²	136.5	67%	0.671	77%	0.769	S	S	*	*				104.1	108.6	129.4	76.7	0	0	0	0	123.3
209	V	30.1	Very low	31.2	Very low	128 Å²	128	134.8 Å²	134.8	78%	0.776	76%	0.758	S	S	*	*			trans	80.3	106.1	133.7	-179.3	0	0	0	0	121.9
210	V	30	Very low	31.4	Very low	124 Å²	124	135.9 Å²	135.9	75%	0.752	76%	0.759	S	S	*	*				26.8	121	127.5	-157.3	0	0	0	0	116.9
211	S	30.4	Very low	31.4	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	75%	0.753	S	S	*	*				-163.6	140.8	74.3	-56.6	0	0	0	0	115.2
212	Q	30.6	Very low	31.6	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	75%	0.749	S	S	*	*			trans	-91.1	176.2	152.5	-91.3	-166.5	5.4	0	0	109
213	P	47.5	Very low	31.5	Very low	100 Å²	100	133.8 Å²	133.8	65%	0.649	75%	0.753	S	S	*	*			cis	-136.6	-160.9	22.5	42.9	-20.3	0	0	0	113.3
214	E	28.3	Very low	31.6	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	75%	0.749	S	S	*	*			cis	-155.4	177.7	13	-146.4	157.2	-122.9	0	0	114
215	T	26	Very low	32.7	Very low	118 Å²	118	130.4 Å²	130.4	72%	0.724	75%	0.75	S	S	*	*			trans	-45.7	169.8	175.3	52.4	0	0	0	0	118.8
216	S	27.8	Very low	31.6	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	76%	0.755	S	S	*	*			cis	-173.5	173.2	-19.5	58.9	0	0	0	0	111.9
217	T	27.6	Very low	31.7	Very low	106 Å²	106	130 Å²	130	65%	0.65	76%	0.755	S	S	*	*			trans	-39.4	163.4	149.5	45.8	0	0	0	0	115.3
218	Q	29.3	Very low	31.6	Very low	170 Å²	170	134.4 Å²	134.4	79%	0.794	76%	0.761	S	S	*	*			cis	-160.4	-174.9	12.3	-130.1	156.2	12.6	0	0	115.1
219	T	28.5	Very low	31.6	Very low	107 Å²	107	134.7 Å²	134.7	66%	0.656	77%	0.769	S	S	*	*			trans	-41.1	158.5	178.2	40.6	0	0	0	0	123.8
220	E	33.3	Very low	31.6	Very low	175 Å²	175	132.1 Å²	132.1	82%	0.818	77%	0.769	S	S	*	*			trans	99.7	158.5	130.8	-92.6	170.4	-163.7	0	0	125.1
221	E	28.8	Very low	32.4	Very low	168 Å²	168	131.9 Å²	131.9	79%	0.785	77%	0.77	S	S	*	*			trans	67.9	157.5	166.2	-69.2	-140.7	105.7	0	0	122.1
222	H	32.9	Very low	32.5	Very low	154 Å²	154	136.6 Å²	136.6	71%	0.713	78%	0.776	S	S	*	*			cis	-167.3	168.5	-43.8	-144.1	7.7	0	0	0	112.1
223	T	30	Very low	32.4	Very low	139 Å²	139	131 Å²	131	85%	0.853	77%	0.769	S	S	*	*			trans	68.2	153	165.2	71.8	0	0	0	0	122.5
224	G	28.9	Very low	32.5	Very low	74 Å²	74	132.5 Å²	132.5	76%	0.763	78%	0.778	S	S	*	*			trans	142.4	113.2	166.7	0	0	0	0	0	116.9
225	P	53.5	Low	32.6	Very low	128 Å²	128	130.8 Å²	130.8	83%	0.831	78%	0.779	S	S	*	*			trans	-125.4	168.6	-171.9	41.5	-31	0	0	0	118.6
226	S	29.3	Very low	32.9	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	79%	0.788	S	S	*	*			trans	109.5	125.7	139.4	-143.2	0	0	0	0	122.7
227	V	31.3	Very low	32.9	Very low	129 Å²	129	136.9 Å²	136.9	78%	0.782	80%	0.795	S	S	*	*			trans	75.3	95.5	141.3	171.2	0	0	0	0	124
228	R	29.3	Very low	33	Very low	235 Å²	235	136.9 Å²	136.9	89%	0.887	81%	0.806	S	S	*	*				71.4	102.3	109.7	-147.7	175.9	-164.2	-145.6	5.6	125
229	A	29.9	Very low	33	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	81%	0.806	S	S	*	*				89.1	123.6	125	0	0	0	0	0	126.5
230	G	30	Very low	33.2	Very low	75 Å²	75	137.7 Å²	137.7	77%	0.773	82%	0.818	S	S	*	*			trans	100.9	161.6	143.1	0	0	0	0	0	118
231	P	46.6	Very low	33.2	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	82%	0.816	S	S	*	*			cis	-141.2	164	-0.8	42.7	-24.8	0	0	0	118.7
232	K	32.5	Very low	33.4	Very low	210 Å²	210	135.7 Å²	135.7	91%	0.913	82%	0.819	S	S	*	*			trans	66.9	142.6	153.4	-68.3	169.1	-178.4	178.7	0	121.6
233	G	29.6	Very low	33.4	Very low	70 Å²	70	134 Å²	134	72%	0.722	82%	0.821	S	S	*	*			trans	-108.9	-151.5	176.4	0	0	0	0	0	113.7
234	P	50.2	Low	33.7	Very low	130 Å²	130	132.8 Å²	132.8	84%	0.844	82%	0.816	S	S	*	*			cis	-104.7	-142	24.6	10.1	14.9	0	0	0	113.6
235	V	30.4	Very low	33.8	Very low	131 Å²	131	135.1 Å²	135.1	79%	0.794	82%	0.817	S	S	*	*			cis	-150.7	171.3	19.7	-175	0	0	0	0	111.8
236	R	30.8	Very low	32.7	Very low	242 Å²	242	134.9 Å²	134.9	91%	0.913	82%	0.819	S	S	*	*			trans	-54.1	142.5	177.5	-72	172.4	160.2	169.5	-7.5	116.8
237	A	28.3	Very low	32.7	Very low	102 Å²	102	140.8 Å²	140.8	84%	0.843	82%	0.824	S	S	*	*				-163.6	167.1	122.4	0	0	0	0	0	112.2
238	A	30.7	Very low	32.8	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	83%	0.826	S	S	*	*			trans	-51.7	158.6	-166.9	0	0	0	0	0	119.6
239	S	28.6	Very low	32.9	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	82%	0.824	S	S	*	*			trans	-103.2	149.6	-179.2	-46.8	0	0	0	0	114.1
240	M	31.7	Very low	32.8	Very low	181 Å²	181	135.4 Å²	135.4	89%	0.892	82%	0.816	S	S	*	*			trans	-140.6	127.7	147.3	-90.2	-63.5	-179.6	0	0	108.8
241	P	34.2	Very low	33.3	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.4	145.1	178.4	-13.8	29.8	0	0	0	112.7
242	Q	32.7	Very low	32.9	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.6	152.8	158.9	-74.3	-171.3	-21.7	0	0	110.4
243	P	33	Very low	33.1	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-63.5	147.5	173.3	27.6	-34.8	0	0	0	111.3
244	P	35.6	Very low	33.5	Very low	114 Å²	114	136.8 Å²	136.8	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70	156	-180	30.3	-35.7	0	0	0	112
245	P	32.3	Very low	32.5	Very low	122 Å²	122	134.8 Å²	134.8	79%	0.792	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.6	145.6	174.1	27.3	-35.1	0	0	0	111.2	R247	P245-R247 PolarHBondContact O-N 2.82Å
246	S	29.8	Very low	33	Very low	123 Å²	123	134.1 Å²	134.1	86%	0.86	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.3	119.3	-179.4	37.4	0	0	0	0	111.6
247	R	29.1	Very low	33.2	Very low	235 Å²	235	124.8 Å²	124.8	89%	0.887	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-68.4	133.9	167.7	-86	-177.9	162.5	-175	-5.8	109.5	P245 V249	P245-R247 PolarHBondContact O-N 2.82Å; R247-V249 PolarHBondContact O-N 2.83Å
248	S	32.8	Very low	33.4	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-56.3	123.4	168.6	51.6	0	0	0	0	110.8
249	V	31.3	Very low	33.8	Very low	140 Å²	140	128.8 Å²	128.8	85%	0.848	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-71.8	139.3	175.6	-178.5	0	0	0	0	109.8	R247	R247-V249 PolarHBondContact O-N 2.83Å
250	S	28.3	Very low	34.1	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-68.8	134.1	-178.3	-173.6	0	0	0	0	112.1	H252	S250-H252 VanDerWaalsContact C-N 3.29Å; S250-H252 PolarHBondContact O-N 2.77Å
251	S	39.8	Very low	34.4	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	69%	0.689	S	S	*	*	S	Bend	trans	-83	58.9	-173.4	59	0	0	0	0	113.5
252	H	38.9	Very low	34.4	Very low	171 Å²	171	121.2 Å²	121.2	79%	0.792	68%	0.681	S	S	*	*			trans	-133.3	54.7	177.7	-76.3	-65.2	0	0	0	113.2	S250	S250-H252 VanDerWaalsContact C-N 3.29Å; S250-H252 PolarHBondContact O-N 2.77Å
253	L	37.1	Very low	34.9	Very low	123 Å²	123	119.3 Å²	119.3	64%	0.644	68%	0.676	S	S	*	*	S	Bend	trans	-112.8	145.4	159.3	-71.4	174.1	0	0	0	109.4
254	N	37.6	Very low	35.4	Very low	98 Å²	98	117.3 Å²	117.3	52%	0.524	66%	0.661	S	S	.	*			trans	-65.1	130.1	176.8	178.8	-18.8	0	0	0	109.6	H256 A257 Q258	N254-H256 PolarHBondContact O-N 3.37Å; N254-H256 PolarHBondContact OD1-CD2 2.74Å; N254-H256 PolarHBondContact OD1-N 3.49Å; N254-A257 WeakPolarHBondContact O-CB 3.33Å; N254-A257 PolarHBondContact O-N 3.07Å; N254-Q258 PolarHBondContact O-N 3.05Å
255	P	29.5	Very low	35.2	Very low	88 Å²	88	115.3 Å²	115.3	57%	0.571	66%	0.661	S	S	*	*	H	α-helix	trans	-56.9	-22.1	179.5	21.5	-33.7	0	0	0	114.3	R259	P255-R259 PolarHBondContact O-N 3.27Å
256	H	41.3	Very low	35.1	Very low	117 Å²	117	114.8 Å²	114.8	54%	0.542	66%	0.656	S	S	.	*	H	α-helix	trans	-68.6	-37.8	172.4	-73.1	-101.9	0	0	0	113	N254 R259 A260	N254-H256 PolarHBondContact O-N 3.37Å; N254-H256 PolarHBondContact OD1-CD2 2.74Å; N254-H256 PolarHBondContact OD1-N 3.49Å; H256-R259 PolarHBondContact O-N 2.93Å; H256-A260 PolarHBondContact O-N 3.12Å; H256-A260 VanDerWaalsContact O-N 3.12Å
257	A	34.7	Very low	35.5	Very low	46 Å²	46	113.9 Å²	113.9	38%	0.38	66%	0.655	S	S	.	*	H	α-helix	trans	-67.9	-37.7	177.8	0	0	0	0	0	111.5	N254 R259 A260 L261	N254-A257 WeakPolarHBondContact O-CB 3.33Å; N254-A257 PolarHBondContact O-N 3.07Å; A257-R259 VanDerWaalsContact C-N 3.28Å; A257-R259 PolarHBondContact O-N 3.19Å; A257-A260 PolarHBondContact O-N 2.67Å; A257-L261 PolarHBondContact O-N 3.21Å; A257-L261 VanDerWaalsContact O-N 3.16Å
258	Q	32.7	Very low	35.7	Very low	109 Å²	109	110.6 Å²	110.6	51%	0.509	66%	0.655	S	S	.	*	H	α-helix	trans	-64.3	-32.1	173.8	-67.8	177.4	-24.5	0	0	112.1	N254 S262	N254-Q258 PolarHBondContact O-N 3.05Å; Q258-S262 WeakPolarHBondContact O-CB 3.14Å; Q258-S262 PolarHBondContact O-N 3.42Å
259	R	39.4	Very low	35.8	Very low	182 Å²	182	110 Å²	110	69%	0.687	65%	0.647	S	S	*	*	H	α-helix	trans	-69.4	-41.8	172.7	-94.5	-175.4	175.1	170.9	-0.3	113.5	P255 H256 A257 L261 S262	P255-R259 PolarHBondContact O-N 3.27Å; H256-R259 PolarHBondContact O-N 2.93Å; A257-R259 VanDerWaalsContact C-N 3.28Å; A257-R259 PolarHBondContact O-N 3.19Å; R259-L261 VanDerWaalsContact C-N 3.28Å; R259-L261 PolarHBondContact O-N 2.61Å; R259-S262 WeakPolarHBondContact CA-OG 3.27Å; R259-S262 PolarHBondContact O-N 2.97Å; R259-S262 VanDerWaalsContact O-N 3.12Å; R259-S262 PolarHBondContact O-OG 3.12Å
260	A	34.6	Very low	35.6	Very low	52 Å²	52	110.8 Å²	110.8	43%	0.43	65%	0.646	S	S	.	*	H	α-helix	trans	-58.1	-43.2	174.9	0	0	0	0	0	111.4	H256 A257	H256-A260 PolarHBondContact O-N 3.12Å; H256-A260 VanDerWaalsContact O-N 3.12Å; A257-A260 PolarHBondContact O-N 2.67Å
261	L	37	Very low	35.9	Very low	117 Å²	117	112 Å²	112	61%	0.613	65%	0.651	S	S	*	*	H	α-helix	trans	-67.7	-33.5	174.3	-66.8	170.4	0	0	0	113.2	A257 R259 L263 V264	A257-L261 PolarHBondContact O-N 3.21Å; A257-L261 VanDerWaalsContact O-N 3.16Å; R259-L261 VanDerWaalsContact C-N 3.28Å; R259-L261 PolarHBondContact O-N 2.61Å; L261-L263 PolarHBondContact O-N 3.22Å; L261-L263 VanDerWaalsContact O-N 3.15Å; L261-V264 PolarHBondContact O-N 3.41Å
262	S	35.1	Very low	35.7	Very low	87 Å²	87	115.2 Å²	115.2	61%	0.608	65%	0.654	S	S	*	*	H	α-helix	trans	-66.7	-13.3	-180	71.7	0	0	0	0	115.2	Q258 R259	Q258-S262 WeakPolarHBondContact O-CB 3.14Å; Q258-S262 PolarHBondContact O-N 3.42Å; R259-S262 WeakPolarHBondContact CA-OG 3.27Å; R259-S262 PolarHBondContact O-N 2.97Å; R259-S262 VanDerWaalsContact O-N 3.12Å; R259-S262 PolarHBondContact O-OG 3.12Å
263	L	42.3	Very low	36	Very low	142 Å²	142	113.2 Å²	113.2	74%	0.743	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7	170.7	-67.4	172.5	0	0	0	112.8	L261	L261-L263 PolarHBondContact O-N 3.22Å; L261-L263 VanDerWaalsContact O-N 3.15Å
264	V	44.2	Very low	36.6	Very low	76 Å²	76	114.1 Å²	114.1	46%	0.461	65%	0.649	S	S	.	*	S	Bend	trans	-109.9	83.8	-177	-174.2	0	0	0	0	109.5	L261	L261-V264 PolarHBondContact O-N 3.41Å
265	G	30.6	Very low	37.9	Very low	71 Å²	71	114 Å²	114	73%	0.732	65%	0.648	S	S	*	*			trans	84.1	97.8	162.7	0	0	0	0	0	117.1
266	T	30.5	Very low	40.4	Very low	112 Å²	112	113.6 Å²	113.6	69%	0.687	64%	0.639	S	S	*	*			trans	-100.3	114.1	139.5	47	0	0	0	0	107.3	D268 T269	T266-D268 PolarHBondContact O-N 2.91Å; T266-D268 VanDerWaalsContact O-N 3.12Å; T266-T269 PolarHBondContact O-OG1 3.15Å
267	A	38.7	Very low	42.9	Very low	103 Å²	103	108.1 Å²	108.1	85%	0.851	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	1.3	-163.3	0	0	0	0	0	115.4
268	D	33.2	Very low	45.8	Very low	166 Å²	166	109 Å²	109	89%	0.888	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-0.3	-174.4	-72.5	-59.6	0	0	0	114.5	T266	T266-D268 PolarHBondContact O-N 2.91Å; T266-D268 VanDerWaalsContact O-N 3.12Å
269	T	34.6	Very low	48.9	Very low	106 Å²	106	103.9 Å²	103.9	65%	0.65	58%	0.583	S	S	*	*	S	Bend	trans	-82.4	117.9	167.1	47.6	0	0	0	0	110.6	T266	T266-T269 PolarHBondContact O-OG1 3.15Å
270	L	28.4	Very low	51.7	Low	155 Å²	155	95.2 Å²	95.2	81%	0.812	55%	0.55	S	S	*	*			trans	-44.4	136.9	164.3	-79.7	160	0	0	0	110.3	Q272	L270-Q272 PolarHBondContact O-N 3.04Å
271	P	34.8	Very low	54.7	Low	120 Å²	120	92.8 Å²	92.8	78%	0.779	53%	0.53	S	S	*	.			trans	-67.4	95.9	-178.4	27.5	-34.3	0	0	0	110.1	I273	P271-I273 PolarHBondContact O-N 2.97Å
272	Q	35.2	Very low	57.7	Low	178 Å²	178	87.2 Å²	87.2	83%	0.832	50%	0.501	S	S	*	.			trans	-65.8	121.8	160.1	-67.2	-155.1	5.3	0	0	107.4	L270 Q274	L270-Q272 PolarHBondContact O-N 3.04Å; Q272-Q274 PolarHBondContact O-N 2.93Å; Q272-Q274 VanDerWaalsContact O-N 3.09Å
273	I	43.7	Very low	60.7	Low	129 Å²	129	83.1 Å²	83.1	66%	0.662	47%	0.472	S	S	*	.			trans	-64.3	113.4	176.5	-51.8	175.4	0	0	0	106.4	P271 D275	P271-I273 PolarHBondContact O-N 2.97Å; I273-D275 VanDerWaalsContact CG2-OD1 3.25Å; I273-D275 WeakPolarHBondContact CG2-OD1 3.45Å; I273-D275 PolarHBondContact O-N 3.45Å
274	Q	51.2	Low	63.4	Low	142 Å²	142	76.4 Å²	76.4	66%	0.664	44%	0.437	S	S	*	.			trans	-75.9	79.9	172.6	-78.2	-174.3	-46.8	0	0	108.7	Q272 E276 R593	Q272-Q274 PolarHBondContact O-N 2.93Å; Q272-Q274 VanDerWaalsContact O-N 3.09Å; Q274-E276 PolarHBondContact O-N 2.94Å; Q274-R593 PolarHBondContact O-NH1 3.3Å
275	D	63.7	Low	66	Low	96 Å²	96	72.9 Å²	72.9	51%	0.513	42%	0.415	S	S	.	.			trans	-65	-15.9	177.5	-71.3	-45.7	0	0	0	112.8	I273	I273-D275 VanDerWaalsContact CG2-OD1 3.25Å; I273-D275 WeakPolarHBondContact CG2-OD1 3.45Å; I273-D275 PolarHBondContact O-N 3.45Å
276	E	83	Confident	69.2	Low	80 Å²	80	69.5 Å²	69.5	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.8	174.7	-59.3	-164	-174.2	0	0	112.6	Q274 R278 T587	Q274-E276 PolarHBondContact O-N 2.94Å; E276-R278 IonicContact OE1-NH2 2.66Å; E276-R278 IonicContact OE2-CZ 2.74Å; E276-R278 IonicContact OE2-NE 3.82Å; E276-R278 PolarHBondContact OE2-NE 2.9Å; E276-R278 IonicContact OE2-NH2 3.14Å; E276-R278 PolarHBondContact OE2-NH2 2.85Å; E276-T587 HydrophobicContact CB-CG2 3.63Å; E276-T587 HydrophobicContact CG-CG2 3.58Å; E276-T587 PolarHBondContact OE2-OG1 3.42Å; E276-T587 VanDerWaalsContact OE2-OG1 3.08Å
277	F	93.4	Very high	72.3	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.1	163.6	177.6	-100.1	0	0	0	109.6	V279 D309 M310 H369 V401 F402 L588 F590	F277-V279 HydrophobicContact CD1-CG2 3.94Å; F277-V279 HydrophobicContact CE1-CG2 3.76Å; F277-D309 WeakPolarHBondContact CA-OD2 3.43Å; F277-D309 HydrophobicContact CD2-CB 3.55Å; F277-D309 HydrophobicContact CE2-CB 3.36Å; F277-D309 HydrophobicContact CG-CB 4.31Å; F277-D309 HydrophobicContact CZ-CB 3.95Å; F277-M310 HydrophobicContact CE1-CB 4.06Å; F277-M310 HydrophobicContact CE1-SD 3.87Å; F277-M310 HydrophobicContact CZ-CB 3.85Å; F277-M310 HydrophobicContact CZ-CG 4.47Å; F277-M310 HydrophobicContact CZ-SD 3.97Å; F277-H369 AromaticContact CE2-CD2 3.8Å; F277-H369 AromaticContact CE2-CG 3.98Å; F277-H369 AromaticContact CE2-NE2 3.94Å; F277-V401 HydrophobicContact CD1-CG1 4.14Å; F277-V401 HydrophobicContact CE1-CG1 3.74Å; F277-V401 HydrophobicContact CZ-CG1 4Å; F277-F402 AromaticContact CD2-CE2 3.53Å; F277-F402 HydrophobicContact CD2-CE2 3.53Å; F277-F402 HydrophobicContact CD2-CZ 4.22Å; F277-F402 AromaticContact CE2-CE2 3.72Å; F277-F402 HydrophobicContact CE2-CE2 3.72Å; F277-F402 HydrophobicContact CE2-CZ 4.26Å; F277-F402 HydrophobicContact CG-CE2 4.05Å; F277-F402 HydrophobicContact CZ-CE2 4.42Å; F277-L588 HydrophobicContact CD1-CD1 4.07Å; F277-L588 HydrophobicContact CD1-CG 4.43Å; F277-L588 PolarHBondContact N-O 2.98Å; F277-L588 PolarHBondContact O-N 2.86Å; F277-F590 HydrophobicContact CB-CE2 3.95Å; F277-F590 HydrophobicContact CD1-CE2 4.36Å; F277-F590 HydrophobicContact CG-CE2 4.36Å
278	R	95.6	Very high	74.9	Confident	66 Å²	66	63.5 Å²	63.5	25%	0.249	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.8	-169.7	-52.9	-165.3	-177.3	154.5	6.5	113.7	E276 N307 D309 M310 F586	E276-R278 IonicContact OE1-NH2 2.66Å; E276-R278 IonicContact OE2-CZ 2.74Å; E276-R278 IonicContact OE2-NE 3.82Å; E276-R278 PolarHBondContact OE2-NE 2.9Å; E276-R278 IonicContact OE2-NH2 3.14Å; E276-R278 PolarHBondContact OE2-NH2 2.85Å; R278-N307 WeakPolarHBondContact CB-O 3.43Å; R278-N307 PolarHBondContact NH1-ND2 2.89Å; R278-D309 PolarHBondContact N-OD2 2.86Å; R278-D309 WeakPolarHBondContact O-CB 3.29Å; R278-D309 PolarHBondContact O-N 3.02Å; R278-M310 PolarHBondContact O-N 2.93Å; R278-F586 CarbonylContact C-O 3.54Å; R278-F586 VanDerWaalsContact CA-O 3.25Å; R278-F586 WeakPolarHBondContact CA-O 3.47Å
279	V	97.6	Very high	77.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	-178.8	-171.6	0	0	0	0	110.2	F277 I281 M310 I312 F408 I585 F586 L588	F277-V279 HydrophobicContact CD1-CG2 3.94Å; F277-V279 HydrophobicContact CE1-CG2 3.76Å; V279-I281 HydrophobicContact CG1-CD1 4.4Å; V279-I281 HydrophobicContact CG1-CG1 3.87Å; V279-M310 WeakPolarHBondContact CA-O 3.37Å; V279-M310 HydrophobicContact CG1-CB 4.38Å; V279-M310 HydrophobicContact CG2-CB 4.26Å; V279-M310 HydrophobicContact CG2-SD 4.44Å; V279-I312 HydrophobicContact CG1-CD1 4.47Å; V279-I312 HydrophobicContact CG1-CG1 3.61Å; V279-F408 HydrophobicContact CG1-CE1 4.12Å; V279-F408 HydrophobicContact CG1-CZ 4.43Å; V279-I585 WeakPolarHBondContact O-CA 3.49Å; V279-F586 PolarHBondContact N-O 3.29Å; V279-F586 PolarHBondContact O-N 2.75Å; V279-L588 HydrophobicContact CG2-CD1 3.76Å; V279-L588 HydrophobicContact CG2-CG 4.02Å
280	H	97.9	Very high	80.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.4	172.9	-169.6	172.7	0	0	0	108.9	L298 L299 G300 T308 M310 Y311 I312 S583 S584 I585	H280-L298 PolarHBondContact CE1-O 2.88Å; H280-L298 PolarHBondContact NE2-O 2.88Å; H280-L299 PolarHBondContact CE1-O 2.78Å; H280-G300 PolarHBondContact CE1-N 2.83Å; H280-T308 HydrophobicContact CB-CG2 3.68Å; H280-M310 PolarHBondContact N-O 2.77Å; H280-Y311 HydrophobicContact CB-CD1 3.8Å; H280-Y311 HydrophobicContact CB-CE1 3.86Å; H280-Y311 AromaticContact CG-CE1 3.83Å; H280-Y311 AromaticContact ND1-CD1 3.98Å; H280-Y311 AromaticContact ND1-CE1 3.34Å; H280-Y311 VanDerWaalsContact ND1-CE1 3.34Å; H280-Y311 WeakPolarHBondContact ND1-CE1 3.19Å; H280-Y311 WeakPolarHBondContact O-CA 3.47Å; H280-I312 PolarHBondContact O-N 2.81Å; H280-S583 WeakPolarHBondContact NE2-CB 3.43Å; H280-S583 PolarHBondContact NE2-OG 2.88Å; H280-S584 CarbonylContact C-O 3.5Å; H280-S584 WeakPolarHBondContact CA-O 3.49Å; H280-S584 PolarHBondContact CD2-O 2.76Å; H280-I585 HydrophobicContact CB-CG1 4.12Å
281	I	98.8	Very high	83.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.4	178.4	-51.4	-169.5	0	0	0	108.9	V279 I312 F408 F451 F453 I534 S583 S584 F586	V279-I281 HydrophobicContact CG1-CD1 4.4Å; V279-I281 HydrophobicContact CG1-CG1 3.87Å; I281-I312 CarbonylContact C-O 3.6Å; I281-I312 WeakPolarHBondContact CA-O 3.21Å; I281-I312 HydrophobicContact CB-CB 4.43Å; I281-I312 HydrophobicContact CG1-CB 4.09Å; I281-I312 HydrophobicContact CG1-CG1 4.2Å; I281-I312 HydrophobicContact CG2-CB 4.3Å; I281-I312 HydrophobicContact CG2-CG2 4.41Å; I281-F408 HydrophobicContact CD1-CD1 4.29Å; I281-F408 HydrophobicContact CD1-CE1 4.32Å; I281-F451 HydrophobicContact CD1-CB 3.75Å; I281-F451 HydrophobicContact CD1-CD1 3.31Å; I281-F451 HydrophobicContact CD1-CD2 4.03Å; I281-F451 HydrophobicContact CD1-CE1 3.85Å; I281-F451 HydrophobicContact CD1-CE2 4.47Å; I281-F451 HydrophobicContact CD1-CG 3.41Å; I281-F451 VanDerWaalsContact CD1-CG 3.41Å; I281-F451 HydrophobicContact CD1-CZ 4.4Å; I281-F453 HydrophobicContact CG2-CB 4.5Å; I281-F453 HydrophobicContact CG2-CD1 3.96Å; I281-F453 HydrophobicContact CG2-CD2 4Å; I281-F453 HydrophobicContact CG2-CE1 4.17Å; I281-F453 HydrophobicContact CG2-CE2 4.18Å; I281-F453 HydrophobicContact CG2-CG 3.9Å; I281-F453 HydrophobicContact CG2-CZ 4.29Å; I281-I534 HydrophobicContact CB-CD1 4.33Å; I281-I534 HydrophobicContact CB-CG2 4.3Å; I281-I534 HydrophobicContact CG2-CD1 4.16Å; I281-I534 HydrophobicContact CG2-CG1 4.5Å; I281-I534 HydrophobicContact CG2-CG2 4.09Å; I281-I534 WeakPolarHBondContact O-CD1 3.46Å; I281-S583 CarbonylContact O-C 3.53Å; I281-S583 WeakPolarHBondContact O-CA 3.4Å; I281-S583 WeakPolarHBondContact O-CB 3.38Å; I281-S584 PolarHBondContact N-O 2.97Å; I281-S584 PolarHBondContact O-N 3Å; I281-F586 HydrophobicContact CB-CE2 4.42Å; I281-F586 HydrophobicContact CD1-CD2 4.09Å; I281-F586 HydrophobicContact CD1-CE2 3.81Å; I281-F586 HydrophobicContact CG1-CD2 4.16Å; I281-F586 HydrophobicContact CG1-CE2 4.07Å
282	I	98.8	Very high	86.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.1	178.6	-66.1	160.3	0	0	0	108.3	L298 L299 Y311 I312 I313 G314 V582	I282-L298 HydrophobicContact CD1-CD1 4.44Å; I282-L298 HydrophobicContact CD1-CG 4.25Å; I282-L298 HydrophobicContact CG1-CD1 4.4Å; I282-L298 HydrophobicContact CG2-CD1 3.97Å; I282-L298 HydrophobicContact CG2-CD2 4.33Å; I282-L298 HydrophobicContact CG2-CG 4.3Å; I282-L299 HydrophobicContact CD1-CD2 3.81Å; I282-Y311 HydrophobicContact CD1-CD1 4.46Å; I282-I312 PolarHBondContact N-O 3.23Å; I282-I313 HydrophobicContact CB-CG2 4.45Å; I282-I313 HydrophobicContact CD1-CG1 4.37Å; I282-I313 HydrophobicContact CG2-CG2 4.36Å; I282-G314 PolarHBondContact O-N 3.4Å; I282-V582 CarbonylContact C-O 3.52Å; I282-V582 WeakPolarHBondContact CA-O 3.36Å
283	T	98.9	Very high	89.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.2	166.4	-175	0	0	0	0	111.2	G314 Q316 G454 D532 I534 V582	T283-G314 CarbonylContact C-O 3.59Å; T283-G314 VanDerWaalsContact CA-O 3.26Å; T283-G314 WeakPolarHBondContact CA-O 3.39Å; T283-Q316 PolarHBondContact OG1-NE2 2.96Å; T283-Q316 PolarHBondContact OG1-OE1 2.85Å; T283-G454 WeakPolarHBondContact OG1-CA 3.18Å; T283-D532 HydrophobicContact CG2-CB 4.28Å; T283-I534 HydrophobicContact CG2-CD1 4.4Å; T283-I534 HydrophobicContact CG2-CG1 4Å; T283-V582 HydrophobicContact CG2-CB 3.93Å; T283-V582 HydrophobicContact CG2-CG1 4.45Å; T283-V582 PolarHBondContact N-O 3.18Å; T283-V582 PolarHBondContact O-N 3.04Å
284	W	98.8	Very high	91.4	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	119.8	175.5	-168.3	10	0	0	0	112.8	V286 P292 L298 G314 L315 Q316 W335 Y574 V576 H579 P581	W284-V286 HydrophobicContact CB-CG1 4.39Å; W284-V286 HydrophobicContact CD2-CG1 4.04Å; W284-V286 HydrophobicContact CE3-CG1 4.33Å; W284-V286 HydrophobicContact CG-CG1 4.08Å; W284-V286 PolarHBondContact O-N 3.04Å; W284-P292 HydrophobicContact CH2-CG 4.12Å; W284-L298 HydrophobicContact CE3-CD2 3.95Å; W284-L298 HydrophobicContact CZ3-CD2 4.01Å; W284-G314 PolarHBondContact N-O 2.9Å; W284-L315 HydrophobicContact CB-CD2 4.07Å; W284-L315 WeakPolarHBondContact O-CA 3.39Å; W284-Q316 PolarHBondContact O-N 3.43Å; W284-Q316 PolarHBondContact O-OE1 3.44Å; W284-W335 HydrophobicContact CD2-CH2 4.45Å; W284-W335 AromaticContact CE3-CH2 3.7Å; W284-W335 HydrophobicContact CE3-CH2 3.7Å; W284-W335 AromaticContact CE3-CZ3 3.72Å; W284-W335 HydrophobicContact CE3-CZ3 3.72Å; W284-W335 AromaticContact CH2-CH2 3.78Å; W284-W335 HydrophobicContact CH2-CH2 3.78Å; W284-W335 HydrophobicContact CH2-CZ3 4.37Å; W284-W335 HydrophobicContact CZ2-CH2 4.49Å; W284-W335 AromaticContact CZ3-CH2 3.35Å; W284-W335 HydrophobicContact CZ3-CH2 3.35Å; W284-W335 AromaticContact CZ3-CZ3 3.51Å; W284-W335 HydrophobicContact CZ3-CZ3 3.51Å; W284-Y574 AromaticContact CH2-CD1 3.79Å; W284-Y574 HydrophobicContact CH2-CD1 3.79Å; W284-Y574 AromaticContact CH2-CG 3.92Å; W284-Y574 HydrophobicContact CH2-CG 3.92Å; W284-Y574 HydrophobicContact CZ2-CG 4.48Å; W284-Y574 HydrophobicContact CZ3-CD1 4.25Å; W284-Y574 HydrophobicContact CZ3-CG 4.42Å; W284-V576 HydrophobicContact CH2-CG2 3.6Å; W284-V576 HydrophobicContact CZ2-CG2 3.54Å; W284-H579 PolarHBondContact NE1-O 3.46Å; W284-P581 HydrophobicContact CB-CB 4Å; W284-P581 HydrophobicContact CD2-CB 3.71Å; W284-P581 HydrophobicContact CD2-CG 3.54Å; W284-P581 HydrophobicContact CE3-CB 3.93Å; W284-P581 HydrophobicContact CE3-CG 3.72Å; W284-P581 HydrophobicContact CG-CB 3.73Å; W284-P581 HydrophobicContact CG-CG 4.02Å; W284-P581 HydrophobicContact CH2-CG 4.04Å; W284-P581 HydrophobicContact CZ2-CG 3.89Å; W284-P581 HydrophobicContact CZ3-CG 3.94Å
285	N	98.7	Very high	93.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	110.5	163	-176.6	-21.5	0	0	0	108.7	G287 Q316 E317 D455 S577 H579	N285-G287 VanDerWaalsContact C-N 3.34Å; N285-G287 PolarHBondContact O-N 3.4Å; N285-G287 PolarHBondContact OD1-N 2.99Å; N285-G287 VanDerWaalsContact OD1-N 3.14Å; N285-Q316 CarbonylContact C-O 3.33Å; N285-Q316 WeakPolarHBondContact CA-O 3.5Å; N285-Q316 HydrophobicContact CB-CB 4.01Å; N285-Q316 PolarHBondContact OD1-O 3.24Å; N285-E317 WeakPolarHBondContact OD1-CB 3.32Å; N285-E317 WeakPolarHBondContact OD1-CG 3.48Å; N285-D455 HydrophobicContact CB-CB 4.29Å; N285-D455 PolarHBondContact ND2-OD2 3.28Å; N285-S577 WeakPolarHBondContact O-CB 3.29Å; N285-S577 PolarHBondContact O-OG 3.03Å; N285-H579 HydrophobicContact CB-CB 4Å; N285-H579 PolarHBondContact ND2-NE2 3.21Å; N285-H579 WeakPolarHBondContact O-CB 3.37Å
286	V	97.9	Very high	94.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.			trans	-87.6	-0.1	-172	-52.3	0	0	0	0	113.3	W284 S288 A289 L315 Q316 V318 W335	W284-V286 HydrophobicContact CB-CG1 4.39Å; W284-V286 HydrophobicContact CD2-CG1 4.04Å; W284-V286 HydrophobicContact CE3-CG1 4.33Å; W284-V286 HydrophobicContact CG-CG1 4.08Å; W284-V286 PolarHBondContact O-N 3.04Å; V286-S288 PolarHBondContact O-N 2.72Å; V286-S288 VanDerWaalsContact O-N 3.12Å; V286-A289 WeakPolarHBondContact O-CB 3.18Å; V286-A289 PolarHBondContact O-N 3.41Å; V286-L315 HydrophobicContact CG1-CD2 4.07Å; V286-Q316 WeakPolarHBondContact CG2-O 3.37Å; V286-Q316 PolarHBondContact N-O 3.42Å; V286-V318 HydrophobicContact CG2-CB 4.35Å; V286-V318 HydrophobicContact CG2-CG2 3.88Å; V286-W335 HydrophobicContact CB-CH2 4.25Å; V286-W335 HydrophobicContact CB-CZ2 3.61Å; V286-W335 HydrophobicContact CG1-CD2 4.29Å; V286-W335 HydrophobicContact CG1-CE3 4.49Å; V286-W335 HydrophobicContact CG1-CH2 3.7Å; V286-W335 HydrophobicContact CG1-CZ2 3.47Å; V286-W335 VanDerWaalsContact CG1-CZ2 3.47Å; V286-W335 HydrophobicContact CG1-CZ3 4.22Å; V286-W335 HydrophobicContact CG2-CZ2 4.18Å
287	G	95.4	Very high	95	Very high	33 Å²	33	32 Å²	32	34%	0.34	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	30	176.4	0	0	0	0	0	114.5	N285 A289	N285-G287 VanDerWaalsContact C-N 3.34Å; N285-G287 PolarHBondContact O-N 3.4Å; N285-G287 PolarHBondContact OD1-N 2.99Å; N285-G287 VanDerWaalsContact OD1-N 3.14Å; G287-A289 PolarHBondContact O-N 3.16Å
288	S	93.8	Very high	95	Very high	57 Å²	57	32.5 Å²	32.5	40%	0.399	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	16.3	-169.9	-75.3	0	0	0	0	116.8	V286 E317	V286-S288 PolarHBondContact O-N 2.72Å; V286-S288 VanDerWaalsContact O-N 3.12Å; S288-E317 WeakPolarHBondContact CA-O 3.39Å; S288-E317 PolarHBondContact N-O 2.93Å; S288-E317 PolarHBondContact OG-O 2.89Å
289	A	94.1	Very high	94.9	Very high	23 Å²	23	29.4 Å²	29.4	19%	0.19	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-66.2	159.7	168.8	0	0	0	0	0	112.9	V286 G287 W335 V576	V286-A289 WeakPolarHBondContact O-CB 3.18Å; V286-A289 PolarHBondContact O-N 3.41Å; G287-A289 PolarHBondContact O-N 3.16Å; A289-W335 PolarHBondContact O-NE1 3.12Å; A289-V576 HydrophobicContact CB-CB 4.13Å; A289-V576 HydrophobicContact CB-CG2 4.2Å
290	T	93.5	Very high	94.4	Very high	82 Å²	82	29.8 Å²	29.8	50%	0.503	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-78.2	159.8	164	55	0	0	0	0	110	W335	T290-W335 VanDerWaalsContact C-CZ2 3.5Å; T290-W335 VanDerWaalsContact O-CZ2 3.32Å; T290-W335 WeakPolarHBondContact O-CZ2 3.4Å
291	P	94.9	Very high	93.7	Very high	23 Å²	23	31 Å²	31	15%	0.149	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-56.7	146.4	169	26.5	-36.7	0	0	0	111.2	Q334 W335 A338	P291-Q334 HydrophobicContact CG-CB 3.98Å; P291-W335 HydrophobicContact CB-CD2 3.95Å; P291-W335 HydrophobicContact CB-CE3 3.93Å; P291-W335 HydrophobicContact CB-CG 4.49Å; P291-W335 HydrophobicContact CB-CH2 4.4Å; P291-W335 HydrophobicContact CB-CZ2 4.4Å; P291-W335 HydrophobicContact CB-CZ3 4.16Å; P291-A338 HydrophobicContact CB-CB 3.86Å; P291-A338 HydrophobicContact CG-CB 4.01Å
292	P	93.9	Very high	92.2	Very high	28 Å²	28	36.2 Å²	36.2	18%	0.182	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-64	158	161.6	-15.1	28.7	0	0	0	111.3	W284 D294 I295 Y574 V576	W284-P292 HydrophobicContact CH2-CG 4.12Å; P292-D294 PolarHBondContact O-N 2.99Å; P292-I295 HydrophobicContact CG-CG2 4.43Å; P292-Y574 HydrophobicContact CB-CE1 4.46Å; P292-Y574 HydrophobicContact CG-CD1 3.85Å; P292-Y574 HydrophobicContact CG-CE1 4.05Å; P292-V576 HydrophobicContact CG-CG1 4.26Å; P292-V576 HydrophobicContact CG-CG2 4.17Å
293	D	89.3	Confident	90.2	Very high	183 Å²	183	39.7 Å²	39.7	98%	0.979	24%	0.241	S	C	*	.	S	Bend	trans	-64	-23.5	176.7	-54.3	-41.4	0	0	0	113.2
294	D	89.6	Confident	87.8	Confident	80 Å²	80	43.7 Å²	43.7	43%	0.428	28%	0.282	S	S	.	.			trans	-130.7	117.2	177.2	-179	20.6	0	0	0	112.3	P292 T296 Y574	P292-D294 PolarHBondContact O-N 2.99Å; D294-T296 WeakPolarHBondContact OD1-CA 3.35Å; D294-T296 WeakPolarHBondContact OD1-CB 3.49Å; D294-T296 PolarHBondContact OD1-N 2.94Å; D294-T296 PolarHBondContact OD1-OG1 2.83Å; D294-Y574 WeakPolarHBondContact O-CE1 3.4Å; D294-Y574 PolarHBondContact O-OH 3.03Å
295	I	93.4	Very high	85.4	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.036	30%	0.298	C	S	.	.			trans	-114.4	9.9	171.9	61.4	170.9	0	0	0	112.9	P292 T297 L298 L299 A338 S342	P292-I295 HydrophobicContact CG-CG2 4.43Å; I295-T297 VanDerWaalsContact C-N 3.29Å; I295-T297 PolarHBondContact O-N 2.86Å; I295-L298 WeakPolarHBondContact O-CB 3.23Å; I295-L298 PolarHBondContact O-N 2.65Å; I295-L299 HydrophobicContact CD1-CD1 3.84Å; I295-L299 HydrophobicContact CD1-CG 4.44Å; I295-L299 HydrophobicContact CG1-CD1 3.85Å; I295-L299 HydrophobicContact CG1-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 2.68Å; I295-A338 HydrophobicContact CD1-CB 4.37Å; I295-S342 VanDerWaalsContact CG1-OG 3.27Å; I295-S342 WeakPolarHBondContact CG1-OG 2.94Å
296	T	90.4	Very high	83.3	Confident	33 Å²	33	48.6 Å²	48.6	20%	0.202	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.8	-173.9	-49.8	0	0	0	0	112.2	D294 G300 L301 N302	D294-T296 WeakPolarHBondContact OD1-CA 3.35Å; D294-T296 WeakPolarHBondContact OD1-CB 3.49Å; D294-T296 PolarHBondContact OD1-N 2.94Å; D294-T296 PolarHBondContact OD1-OG1 2.83Å; T296-G300 CarbonylContact O-C 3.55Å; T296-G300 PolarHBondContact O-N 3.09Å; T296-L301 HydrophobicContact CG2-CB 3.67Å; T296-L301 HydrophobicContact CG2-CD1 4.48Å; T296-L301 PolarHBondContact O-N 3.35Å; T296-N302 HydrophobicContact CG2-CB 4.38Å; T296-N302 VanDerWaalsContact CG2-CG 3.46Å; T296-N302 WeakPolarHBondContact CG2-ND2 3.28Å; T296-N302 WeakPolarHBondContact CG2-OD1 3.22Å
297	T	90.3	Very high	82.2	Confident	52 Å²	52	51.7 Å²	51.7	32%	0.319	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-40.4	177.3	-57.9	0	0	0	0	112.6	I295 L299 G300 N302 E573	I295-T297 VanDerWaalsContact C-N 3.29Å; I295-T297 PolarHBondContact O-N 2.86Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 2.84Å; T297-G300 PolarHBondContact O-N 3.18Å; T297-N302 PolarHBondContact OG1-ND2 2.66Å; T297-E573 VanDerWaalsContact CG2-OE1 3.31Å; T297-E573 WeakPolarHBondContact CG2-OE1 3.42Å
298	L	93.6	Very high	82.1	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.052	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-44.7	172.6	175.7	55.9	0	0	0	111.7	H280 I282 W284 I295 G300 Y574 P581	H280-L298 PolarHBondContact CE1-O 2.88Å; H280-L298 PolarHBondContact NE2-O 2.88Å; I282-L298 HydrophobicContact CD1-CD1 4.44Å; I282-L298 HydrophobicContact CD1-CG 4.25Å; I282-L298 HydrophobicContact CG1-CD1 4.4Å; I282-L298 HydrophobicContact CG2-CD1 3.97Å; I282-L298 HydrophobicContact CG2-CD2 4.33Å; I282-L298 HydrophobicContact CG2-CG 4.3Å; W284-L298 HydrophobicContact CE3-CD2 3.95Å; W284-L298 HydrophobicContact CZ3-CD2 4.01Å; I295-L298 WeakPolarHBondContact O-CB 3.23Å; I295-L298 PolarHBondContact O-N 2.65Å; L298-G300 PolarHBondContact O-N 3.07Å; L298-Y574 HydrophobicContact CB-CE2 3.71Å; L298-Y574 PolarHBondContact N-OH 2.97Å; L298-P581 HydrophobicContact CD1-CB 3.69Å; L298-P581 HydrophobicContact CD1-CG 4.3Å; L298-P581 HydrophobicContact CD2-CB 4.13Å; L298-P581 HydrophobicContact CD2-CG 4.33Å
299	L	92.9	Very high	82.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.6	175	-62.7	173.4	0	0	0	113.5	H280 I282 I295 T297 L301 Y311 I313 S342 L343	H280-L299 PolarHBondContact CE1-O 2.78Å; I282-L299 HydrophobicContact CD1-CD2 3.81Å; I295-L299 HydrophobicContact CD1-CD1 3.84Å; I295-L299 HydrophobicContact CD1-CG 4.44Å; I295-L299 HydrophobicContact CG1-CD1 3.85Å; I295-L299 HydrophobicContact CG1-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 2.68Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 2.84Å; L299-L301 HydrophobicContact CB-CD1 3.85Å; L299-L301 HydrophobicContact CB-CG 3.81Å; L299-L301 HydrophobicContact CD1-CD1 3.8Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-Y311 HydrophobicContact CB-CE1 4.26Å; L299-Y311 HydrophobicContact CD2-CD1 4.12Å; L299-Y311 HydrophobicContact CD2-CE1 4.19Å; L299-Y311 VanDerWaalsContact O-CE1 3.22Å; L299-Y311 WeakPolarHBondContact O-CE1 3.33Å; L299-Y311 PolarHBondContact O-OH 2.76Å; L299-I313 HydrophobicContact CD2-CD1 3.86Å; L299-S342 VanDerWaalsContact CD1-CB 3.45Å; L299-L343 HydrophobicContact CD1-CD2 4.01Å; L299-L343 HydrophobicContact CD1-CG 4.03Å; L299-L343 HydrophobicContact CD2-CD1 4.41Å; L299-L343 HydrophobicContact CD2-CD2 4.31Å
300	G	87.6	Confident	82.3	Confident	7 Å²	7	47.4 Å²	47.4	7%	0.072	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	2.2	-179.6	0	0	0	0	0	115.8	H280 T296 T297 L298 N302 V303	H280-G300 PolarHBondContact CE1-N 2.83Å; T296-G300 CarbonylContact O-C 3.55Å; T296-G300 PolarHBondContact O-N 3.09Å; T297-G300 PolarHBondContact O-N 3.18Å; L298-G300 PolarHBondContact O-N 3.07Å; G300-N302 PolarHBondContact O-N 3.32Å; G300-N302 VanDerWaalsContact O-N 3.07Å; G300-V303 VanDerWaalsContact O-CB 3.32Å; G300-V303 WeakPolarHBondContact O-CB 3.47Å; G300-V303 WeakPolarHBondContact O-CG2 3.49Å; G300-V303 PolarHBondContact O-N 3.08Å
301	L	84.3	Confident	82.6	Confident	26 Å²	26	43.7 Å²	43.7	14%	0.136	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.8	-171.8	-62	167.8	0	0	0	114.5	T296 L299 V303 S342 L343 F346	T296-L301 HydrophobicContact CG2-CB 3.67Å; T296-L301 HydrophobicContact CG2-CD1 4.48Å; T296-L301 PolarHBondContact O-N 3.35Å; L299-L301 HydrophobicContact CB-CD1 3.85Å; L299-L301 HydrophobicContact CB-CG 3.81Å; L299-L301 HydrophobicContact CD1-CD1 3.8Å; L299-L301 PolarHBondContact O-N 2.87Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-S342 WeakPolarHBondContact CD1-O 3.41Å; L301-L343 HydrophobicContact CD1-CD2 4.21Å; L301-L343 HydrophobicContact CD2-CD2 4.25Å; L301-F346 HydrophobicContact CB-CE2 4.3Å; L301-F346 HydrophobicContact CB-CZ 4.1Å; L301-F346 HydrophobicContact CD1-CD2 4.13Å; L301-F346 HydrophobicContact CD1-CE2 3.84Å; L301-F346 HydrophobicContact CD1-CZ 4.47Å; L301-F346 HydrophobicContact CD2-CD1 4.3Å; L301-F346 HydrophobicContact CD2-CD2 3.94Å; L301-F346 HydrophobicContact CD2-CE1 4.48Å; L301-F346 HydrophobicContact CD2-CE2 4.15Å; L301-F346 HydrophobicContact CD2-CG 4.03Å; L301-F346 HydrophobicContact CD2-CZ 4.41Å; L301-F346 HydrophobicContact CG-CE2 4.33Å
302	N	66.6	Low	82.8	Confident	110 Å²	110	42.6 Å²	42.6	59%	0.588	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.8	172.2	-79.2	-35.8	0	0	0	113.2	T296 T297 G300	T296-N302 HydrophobicContact CG2-CB 4.38Å; T296-N302 VanDerWaalsContact CG2-CG 3.46Å; T296-N302 WeakPolarHBondContact CG2-ND2 3.28Å; T296-N302 WeakPolarHBondContact CG2-OD1 3.22Å; T297-N302 PolarHBondContact OG1-ND2 2.66Å; G300-N302 PolarHBondContact O-N 3.32Å; G300-N302 VanDerWaalsContact O-N 3.07Å
303	V	57.5	Low	83	Confident	75 Å²	75	41.5 Å²	41.5	46%	0.455	26%	0.259	S	S	.	.	S	Bend	trans	-78.9	128.3	172.6	-169.5	0	0	0	0	107.5	G300 L301 D305	G300-V303 VanDerWaalsContact O-CB 3.32Å; G300-V303 WeakPolarHBondContact O-CB 3.47Å; G300-V303 WeakPolarHBondContact O-CG2 3.49Å; G300-V303 PolarHBondContact O-N 3.08Å; L301-V303 VanDerWaalsContact C-N 3.33Å; V303-D305 HydrophobicContact CG1-CB 3.92Å; V303-D305 WeakPolarHBondContact CG1-OD2 3.4Å; V303-D305 PolarHBondContact O-N 3.44Å
304	G	46.8	Very low	83.5	Confident	84 Å²	84	32.8 Å²	32.8	87%	0.866	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	25.7	177.1	0	0	0	0	0	114.3
305	D	49	Very low	83.9	Confident	63 Å²	63	29 Å²	29	34%	0.337	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-30.3	-176.7	63.1	20.3	0	0	0	112.7	V303 N307	V303-D305 HydrophobicContact CG1-CB 3.92Å; V303-D305 WeakPolarHBondContact CG1-OD2 3.4Å; V303-D305 PolarHBondContact O-N 3.44Å; D305-N307 WeakPolarHBondContact O-CB 3.41Å; D305-N307 PolarHBondContact O-N 3.06Å; D305-N307 PolarHBondContact O-ND2 2.95Å
306	G	54.2	Low	84.1	Confident	43 Å²	43	28.7 Å²	28.7	44%	0.443	19%	0.191	S	C	.	.			trans	60.5	-5	166.7	0	0	0	0	0	117.3	K366	G306-K366 PolarHBondContact O-NZ 2.98Å
307	N	74.7	Confident	84.4	Confident	64 Å²	64	31 Å²	31	34%	0.342	20%	0.199	S	C	.	.			trans	-95.8	-5.5	-160.8	-81.2	-57.9	0	0	0	114	R278 D305 D309	R278-N307 WeakPolarHBondContact CB-O 3.43Å; R278-N307 PolarHBondContact NH1-ND2 2.89Å; D305-N307 WeakPolarHBondContact O-CB 3.41Å; D305-N307 PolarHBondContact O-N 3.06Å; D305-N307 PolarHBondContact O-ND2 2.95Å; N307-D309 PolarHBondContact O-N 2.83Å
308	T	93.1	Very high	84.5	Confident	6 Å²	6	28.7 Å²	28.7	4%	0.037	19%	0.185	C	C	.	.			trans	-59.1	133.2	168	-60.8	0	0	0	0	109	H280 M310 Y311 Y348 K366	H280-T308 HydrophobicContact CB-CG2 3.68Å; T308-M310 WeakPolarHBondContact CG2-O 3.24Å; T308-Y311 HydrophobicContact CG2-CD1 4.32Å; T308-Y311 HydrophobicContact CG2-CD2 3.92Å; T308-Y311 HydrophobicContact CG2-CE1 4.07Å; T308-Y311 HydrophobicContact CG2-CE2 3.63Å; T308-Y311 HydrophobicContact CG2-CG 4.25Å; T308-Y348 PolarHBondContact O-OH 2.85Å; T308-K366 WeakPolarHBondContact O-CE 3.34Å; T308-K366 PolarHBondContact O-NZ 2.69Å
309	D	95.8	Very high	84.2	Confident	16 Å²	16	31.2 Å²	31.2	9%	0.086	20%	0.199	C	C	.	.			trans	-104.3	-27.3	177.3	-67.5	-54.3	0	0	0	112.2	F277 R278 N307 A365 K366 H369	F277-D309 WeakPolarHBondContact CA-OD2 3.43Å; F277-D309 HydrophobicContact CD2-CB 3.55Å; F277-D309 HydrophobicContact CE2-CB 3.36Å; F277-D309 HydrophobicContact CG-CB 4.31Å; F277-D309 HydrophobicContact CZ-CB 3.95Å; R278-D309 PolarHBondContact N-OD2 2.86Å; R278-D309 WeakPolarHBondContact O-CB 3.29Å; R278-D309 PolarHBondContact O-N 3.02Å; N307-D309 PolarHBondContact O-N 2.83Å; D309-A365 WeakPolarHBondContact O-CA 3.45Å; D309-K366 PolarHBondContact O-N 2.8Å; D309-K366 IonicContact OD1-NZ 2.68Å; D309-K366 PolarHBondContact OD1-NZ 3.12Å; D309-H369 WeakPolarHBondContact CB-NE2 3.44Å; D309-H369 IonicContact OD1-CD2 3.2Å; D309-H369 IonicContact OD1-CE1 3.51Å; D309-H369 IonicContact OD1-NE2 3.1Å; D309-H369 PolarHBondContact OD1-NE2 3.12Å
310	M	97.9	Very high	83.2	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	130.9	-171.7	-164.8	176	-159.8	0	0	110.6	F277 R278 V279 H280 T308 I312 V363 F364 A365 L373 M399 F408	F277-M310 HydrophobicContact CE1-CB 4.06Å; F277-M310 HydrophobicContact CE1-SD 3.87Å; F277-M310 HydrophobicContact CZ-CB 3.85Å; F277-M310 HydrophobicContact CZ-CG 4.47Å; F277-M310 HydrophobicContact CZ-SD 3.97Å; R278-M310 PolarHBondContact O-N 2.93Å; V279-M310 WeakPolarHBondContact CA-O 3.37Å; V279-M310 HydrophobicContact CG1-CB 4.38Å; V279-M310 HydrophobicContact CG2-CB 4.26Å; V279-M310 HydrophobicContact CG2-SD 4.44Å; H280-M310 PolarHBondContact N-O 2.77Å; T308-M310 WeakPolarHBondContact CG2-O 3.24Å; M310-I312 HydrophobicContact CE-CD1 4.07Å; M310-I312 HydrophobicContact CG-CD1 3.99Å; M310-I312 HydrophobicContact SD-CD1 4.17Å; M310-V363 HydrophobicContact CE-CG1 3.51Å; M310-F364 CarbonylContact C-O 3.59Å; M310-F364 VanDerWaalsContact CA-O 3.25Å; M310-F364 WeakPolarHBondContact CA-O 3.26Å; M310-F364 VanDerWaalsContact CG-O 3.28Å; M310-F364 WeakPolarHBondContact CG-O 3.21Å; M310-A365 HydrophobicContact CG-CB 4.37Å; M310-L373 HydrophobicContact CE-CD1 4.26Å; M310-L373 HydrophobicContact CE-CD2 4.28Å; M310-M399 HydrophobicContact CE-CE 4.47Å; M310-M399 HydrophobicContact CE-SD 3.51Å; M310-M399 VanDerWaalsContact CE-SD 3.51Å; M310-F408 HydrophobicContact CE-CE2 3.87Å; M310-F408 HydrophobicContact CE-CZ 4.24Å; M310-F408 HydrophobicContact SD-CE2 4.26Å; M310-F408 HydrophobicContact SD-CZ 4.02Å
311	Y	98.6	Very high	81.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.3	170.7	-71.9	-90	0	0	0	110.4	H280 I282 L299 T308 L343 Y348 F364	H280-Y311 HydrophobicContact CB-CD1 3.8Å; H280-Y311 HydrophobicContact CB-CE1 3.86Å; H280-Y311 AromaticContact CG-CE1 3.83Å; H280-Y311 AromaticContact ND1-CD1 3.98Å; H280-Y311 AromaticContact ND1-CE1 3.34Å; H280-Y311 VanDerWaalsContact ND1-CE1 3.34Å; H280-Y311 WeakPolarHBondContact ND1-CE1 3.19Å; H280-Y311 WeakPolarHBondContact O-CA 3.47Å; I282-Y311 HydrophobicContact CD1-CD1 4.46Å; L299-Y311 HydrophobicContact CB-CE1 4.26Å; L299-Y311 HydrophobicContact CD2-CD1 4.12Å; L299-Y311 HydrophobicContact CD2-CE1 4.19Å; L299-Y311 VanDerWaalsContact O-CE1 3.22Å; L299-Y311 WeakPolarHBondContact O-CE1 3.33Å; L299-Y311 PolarHBondContact O-OH 2.76Å; T308-Y311 HydrophobicContact CG2-CD1 4.32Å; T308-Y311 HydrophobicContact CG2-CD2 3.92Å; T308-Y311 HydrophobicContact CG2-CE1 4.07Å; T308-Y311 HydrophobicContact CG2-CE2 3.63Å; T308-Y311 HydrophobicContact CG2-CG 4.25Å; Y311-L343 HydrophobicContact CD2-CD1 4.24Å; Y311-L343 HydrophobicContact CD2-CD2 3.62Å; Y311-L343 HydrophobicContact CE1-CD2 4.45Å; Y311-L343 HydrophobicContact CE2-CD2 3.46Å; Y311-L343 VanDerWaalsContact CE2-CD2 3.46Å; Y311-L343 HydrophobicContact CG-CD1 4.32Å; Y311-L343 HydrophobicContact CG-CD2 4.19Å; Y311-Y348 AromaticContact CD2-CD1 3.88Å; Y311-Y348 HydrophobicContact CD2-CD1 3.88Å; Y311-Y348 AromaticContact CD2-CE1 3.72Å; Y311-Y348 HydrophobicContact CD2-CE1 3.72Å; Y311-Y348 HydrophobicContact CD2-CG 4.4Å; Y311-Y348 HydrophobicContact CE2-CD1 4.1Å; Y311-Y348 HydrophobicContact CE2-CD2 4.38Å; Y311-Y348 AromaticContact CE2-CE1 3.58Å; Y311-Y348 HydrophobicContact CE2-CE1 3.58Å; Y311-Y348 AromaticContact CE2-CE2 3.9Å; Y311-Y348 HydrophobicContact CE2-CE2 3.9Å; Y311-Y348 HydrophobicContact CE2-CG 4.48Å; Y311-Y348 AromaticContact CE2-CZ 3.48Å; Y311-Y348 VanDerWaalsContact CE2-CZ 3.48Å; Y311-F364 PolarHBondContact N-O 2.9Å; Y311-F364 PolarHBondContact O-N 2.88Å
312	I	98.9	Very high	80.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.3	176.3	-49.4	-65	0	0	0	107.2	V279 H280 I281 I282 M310 L361 V363 F408 F453	V279-I312 HydrophobicContact CG1-CD1 4.47Å; V279-I312 HydrophobicContact CG1-CG1 3.61Å; H280-I312 PolarHBondContact O-N 2.81Å; I281-I312 CarbonylContact C-O 3.6Å; I281-I312 WeakPolarHBondContact CA-O 3.21Å; I281-I312 HydrophobicContact CB-CB 4.43Å; I281-I312 HydrophobicContact CG1-CB 4.09Å; I281-I312 HydrophobicContact CG1-CG1 4.2Å; I281-I312 HydrophobicContact CG2-CB 4.3Å; I281-I312 HydrophobicContact CG2-CG2 4.41Å; I282-I312 PolarHBondContact N-O 3.23Å; M310-I312 HydrophobicContact CE-CD1 4.07Å; M310-I312 HydrophobicContact CG-CD1 3.99Å; M310-I312 HydrophobicContact SD-CD1 4.17Å; I312-L361 HydrophobicContact CG2-CD1 3.86Å; I312-V363 HydrophobicContact CD1-CB 4.34Å; I312-V363 HydrophobicContact CD1-CG1 3.86Å; I312-V363 HydrophobicContact CD1-CG2 3.99Å; I312-F408 HydrophobicContact CB-CD1 4.36Å; I312-F408 HydrophobicContact CD1-CD1 3.88Å; I312-F408 HydrophobicContact CD1-CD2 3.79Å; I312-F408 HydrophobicContact CD1-CE1 3.75Å; I312-F408 HydrophobicContact CD1-CE2 3.64Å; I312-F408 HydrophobicContact CD1-CG 3.9Å; I312-F408 HydrophobicContact CD1-CZ 3.62Å; I312-F408 HydrophobicContact CG1-CD1 3.71Å; I312-F408 HydrophobicContact CG1-CE1 3.59Å; I312-F408 HydrophobicContact CG1-CE2 4.42Å; I312-F408 HydrophobicContact CG1-CG 4.2Å; I312-F408 HydrophobicContact CG1-CZ 3.96Å; I312-F408 HydrophobicContact CG2-CB 3.99Å; I312-F408 HydrophobicContact CG2-CD1 3.91Å; I312-F408 HydrophobicContact CG2-CG 4Å; I312-F453 HydrophobicContact CG2-CE1 4.05Å; I312-F453 HydrophobicContact CG2-CE2 4.11Å; I312-F453 HydrophobicContact CG2-CZ 3.41Å; I312-F453 VanDerWaalsContact CG2-CZ 3.41Å
313	I	98.9	Very high	79.7	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.1	-172.9	-49.6	-179.1	0	0	0	109	I282 L299 L315 C339 L343 L362 F364	I282-I313 HydrophobicContact CB-CG2 4.45Å; I282-I313 HydrophobicContact CD1-CG1 4.37Å; I282-I313 HydrophobicContact CG2-CG2 4.36Å; L299-I313 HydrophobicContact CD2-CD1 3.86Å; I313-L315 HydrophobicContact CG2-CD2 3.96Å; I313-L315 HydrophobicContact CG2-CG 4.11Å; I313-C339 HydrophobicContact CD1-CB 4.17Å; I313-L343 HydrophobicContact CD1-CD1 4.41Å; I313-L362 HydrophobicContact CB-CB 4.29Å; I313-L362 PolarHBondContact N-O 2.89Å; I313-L362 PolarHBondContact O-N 2.82Å; I313-F364 HydrophobicContact CD1-CD2 4.37Å; I313-F364 HydrophobicContact CD1-CE2 4.08Å
314	G	98.8	Very high	79.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121	173.5	0	0	0	0	0	111.5	I282 T283 W284 Q316 I360 N410	I282-G314 PolarHBondContact O-N 3.4Å; T283-G314 CarbonylContact C-O 3.59Å; T283-G314 VanDerWaalsContact CA-O 3.26Å; T283-G314 WeakPolarHBondContact CA-O 3.39Å; W284-G314 PolarHBondContact N-O 2.9Å; G314-Q316 PolarHBondContact O-NE2 2.94Å; G314-I360 WeakPolarHBondContact CA-O 3.44Å; G314-N410 WeakPolarHBondContact CA-ND2 3.26Å
315	L	98.5	Very high	79.1	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.6	178.4	-56.1	176.2	0	0	0	110.7	W284 V286 I313 V318 W335 L359 I360 N410	W284-L315 HydrophobicContact CB-CD2 4.07Å; W284-L315 WeakPolarHBondContact O-CA 3.39Å; V286-L315 HydrophobicContact CG1-CD2 4.07Å; I313-L315 HydrophobicContact CG2-CD2 3.96Å; I313-L315 HydrophobicContact CG2-CG 4.11Å; L315-V318 HydrophobicContact CB-CG2 3.45Å; L315-V318 VanDerWaalsContact CB-CG2 3.45Å; L315-V318 HydrophobicContact CD1-CG2 4.16Å; L315-V318 HydrophobicContact CG-CG2 4.46Å; L315-W335 HydrophobicContact CD1-CB 3.49Å; L315-W335 VanDerWaalsContact CD1-CB 3.49Å; L315-W335 HydrophobicContact CD1-CD2 3.95Å; L315-W335 HydrophobicContact CD1-CE3 4Å; L315-W335 HydrophobicContact CD1-CG 3.77Å; L315-L359 WeakPolarHBondContact O-CA 3.44Å; L315-I360 HydrophobicContact CB-CB 4.46Å; L315-I360 PolarHBondContact N-O 2.8Å; L315-I360 PolarHBondContact O-N 2.87Å; L315-N410 PolarHBondContact N-ND2 3.2Å
316	Q	98.2	Very high	79.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.9	176.6	-51.2	81.9	32.5	0	0	111.4	T283 W284 N285 V286 G314 V318 G358 L359 N410 H412 D455	T283-Q316 PolarHBondContact OG1-NE2 2.96Å; T283-Q316 PolarHBondContact OG1-OE1 2.85Å; W284-Q316 PolarHBondContact O-N 3.43Å; W284-Q316 PolarHBondContact O-OE1 3.44Å; N285-Q316 CarbonylContact C-O 3.33Å; N285-Q316 WeakPolarHBondContact CA-O 3.5Å; N285-Q316 HydrophobicContact CB-CB 4.01Å; N285-Q316 PolarHBondContact OD1-O 3.24Å; V286-Q316 WeakPolarHBondContact CG2-O 3.37Å; V286-Q316 PolarHBondContact N-O 3.42Å; G314-Q316 PolarHBondContact O-NE2 2.94Å; Q316-V318 PolarHBondContact O-N 3.14Å; Q316-G358 CarbonylContact C-O 3.59Å; Q316-G358 VanDerWaalsContact C-O 3.28Å; Q316-G358 WeakPolarHBondContact CA-O 3.49Å; Q316-L359 HydrophobicContact CG-CD1 3.72Å; Q316-N410 PolarHBondContact NE2-OD1 3.13Å; Q316-H412 HydrophobicContact CB-CB 4.32Å; Q316-H412 HydrophobicContact CG-CB 3.99Å; Q316-D455 HydrophobicContact CB-CB 4.34Å; Q316-D455 HydrophobicContact CG-CB 3.95Å
317	E	95.6	Very high	78.7	Confident	81 Å²	81	58.5 Å²	58.5	38%	0.379	28%	0.28	S	S	.	.	S	Bend	trans	53.2	25.2	-173.2	-51.4	-152.4	167.9	0	0	116.2	N285 S288 N319 G358 K392 H412	N285-E317 WeakPolarHBondContact OD1-CB 3.32Å; N285-E317 WeakPolarHBondContact OD1-CG 3.48Å; S288-E317 WeakPolarHBondContact CA-O 3.39Å; S288-E317 PolarHBondContact N-O 2.93Å; S288-E317 PolarHBondContact OG-O 2.89Å; E317-N319 PolarHBondContact O-N 3.09Å; E317-G358 PolarHBondContact N-O 2.82Å; E317-K392 IonicContact OE1-NZ 3Å; E317-H412 VanDerWaalsContact CG-CE1 3.48Å; E317-H412 WeakPolarHBondContact CG-CE1 3.34Å; E317-H412 IonicContact OE1-CE1 2.85Å; E317-H412 PolarHBondContact OE1-CE1 2.74Å; E317-H412 VanDerWaalsContact OE1-CE1 3.31Å
318	V	93.4	Very high	77.3	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.024	30%	0.299	C	S	.	.			trans	-57.1	134.5	173.9	-176.4	0	0	0	0	110.8	V286 L315 Q316 S320 G358 I360	V286-V318 HydrophobicContact CG2-CB 4.35Å; V286-V318 HydrophobicContact CG2-CG2 3.88Å; L315-V318 HydrophobicContact CB-CG2 3.45Å; L315-V318 VanDerWaalsContact CB-CG2 3.45Å; L315-V318 HydrophobicContact CD1-CG2 4.16Å; L315-V318 HydrophobicContact CG-CG2 4.46Å; Q316-V318 PolarHBondContact O-N 3.14Å; V318-S320 PolarHBondContact O-N 3.36Å; V318-S320 VanDerWaalsContact O-N 3.12Å; V318-S320 PolarHBondContact O-OG 2.77Å; V318-G358 PolarHBondContact N-O 3.07Å; V318-G358 WeakPolarHBondContact O-CA 3.32Å; V318-I360 HydrophobicContact CB-CD1 3.86Å; V318-I360 HydrophobicContact CB-CG1 4.24Å; V318-I360 HydrophobicContact CG1-CD1 3.67Å; V318-I360 HydrophobicContact CG2-CD1 3.93Å; V318-I360 HydrophobicContact CG2-CG1 4.09Å
319	N	87.8	Confident	75.3	Confident	63 Å²	63	67.8 Å²	67.8	34%	0.337	33%	0.333	S	S	.	.			trans	-57.7	119.4	-171.6	-165.7	-30.7	0	0	0	112	E317 M321 R355	E317-N319 PolarHBondContact O-N 3.09Å; N319-M321 VanDerWaalsContact OD1-CB 3.26Å; N319-M321 WeakPolarHBondContact OD1-CB 3.27Å; N319-M321 WeakPolarHBondContact OD1-CG 3.32Å; N319-M321 PolarHBondContact OD1-N 3.07Å; N319-R355 PolarHBondContact O-NH2 2.72Å
320	S	71.1	Confident	73.2	Confident	46 Å²	46	71.3 Å²	71.3	32%	0.322	35%	0.352	S	S	.	.			trans	-95.3	3.2	-175.1	-61.2	0	0	0	0	113.7	V318 I322 N323 Q357 G358	V318-S320 PolarHBondContact O-N 3.36Å; V318-S320 VanDerWaalsContact O-N 3.12Å; V318-S320 PolarHBondContact O-OG 2.77Å; S320-I322 PolarHBondContact O-N 2.94Å; S320-N323 PolarHBondContact O-N 2.9Å; S320-Q357 PolarHBondContact OG-O 2.85Å; S320-Q357 VanDerWaalsContact OG-O 3.1Å; S320-G358 PolarHBondContact OG-N 3.44Å
321	M	61.2	Low	71.1	Confident	129 Å²	129	77.6 Å²	77.6	64%	0.635	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-70.9	-13.9	-177.5	-71	-86.8	-87.5	0	0	114	N319 N323 K324	N319-M321 VanDerWaalsContact OD1-CB 3.26Å; N319-M321 WeakPolarHBondContact OD1-CB 3.27Å; N319-M321 WeakPolarHBondContact OD1-CG 3.32Å; N319-M321 PolarHBondContact OD1-N 3.07Å; M321-N323 PolarHBondContact O-N 2.81Å; M321-K324 PolarHBondContact O-N 2.79Å
322	I	53.7	Low	69.9	Low	59 Å²	59	80.6 Å²	80.6	30%	0.303	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-52.6	-40.2	173.4	-61.3	175	0	0	0	110.4	S320 K324 R325 F331 D333	S320-I322 PolarHBondContact O-N 2.94Å; I322-K324 PolarHBondContact O-N 3.46Å; I322-R325 PolarHBondContact O-N 2.81Å; I322-F331 HydrophobicContact CG2-CB 4.48Å; I322-D333 HydrophobicContact CD1-CB 3.9Å
323	N	50	Low	69.3	Low	101 Å²	101	81 Å²	81	54%	0.54	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-66.1	-4.6	-178	-57.7	26.4	0	0	0	114	S320 M321	S320-N323 PolarHBondContact O-N 2.9Å; M321-N323 PolarHBondContact O-N 2.81Å
324	K	46.8	Very low	68.9	Low	177 Å²	177	86.4 Å²	86.4	77%	0.77	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-94	-2.5	169.1	-87.4	-177.9	175	174.2	0	114.2	M321 I322	M321-K324 PolarHBondContact O-N 2.79Å; I322-K324 PolarHBondContact O-N 3.46Å
325	R	44.8	Very low	68.7	Low	214 Å²	214	86.8 Å²	86.8	81%	0.808	43%	0.427	S	S	*	.	S	Bend	trans	-135.7	73.5	179.7	-71.1	-168.4	177.1	-174.3	1.8	113.8	I322	I322-R325 PolarHBondContact O-N 2.81Å
326	L	51.9	Low	68.5	Low	137 Å²	137	86.7 Å²	86.7	72%	0.717	43%	0.427	S	S	*	.	S	Bend	trans	68.9	101.9	145.6	-169.1	67	0	0	0	118
327	K	43.5	Very low	68.3	Low	120 Å²	120	89.4 Å²	89.4	52%	0.522	44%	0.439	S	S	.	.			trans	82.4	99.2	165.6	-59.2	168.4	178.7	179.2	0	116.9	V329 L330	K327-V329 PolarHBondContact O-N 3.41Å; K327-L330 HydrophobicContact CD-CD1 3.59Å; K327-L330 HydrophobicContact CD-CG 4.29Å; K327-L330 PolarHBondContact O-N 3.05Å
328	D	45.7	Very low	68.2	Low	141 Å²	141	86.5 Å²	86.5	75%	0.754	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	33.4	169.4	-36.4	-77.4	0	0	0	113.7
329	V	49.9	Very low	68.4	Low	123 Å²	123	86.5 Å²	86.5	75%	0.745	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	-12.7	-178.1	-169.3	0	0	0	0	111.9	K327	K327-V329 PolarHBondContact O-N 3.41Å
330	L	51.5	Low	68.7	Low	90 Å²	90	84 Å²	84	47%	0.471	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-3.3	-173.5	-64.9	-177	0	0	0	114.8	K327	K327-L330 HydrophobicContact CD-CD1 3.59Å; K327-L330 HydrophobicContact CD-CG 4.29Å; K327-L330 PolarHBondContact O-N 3.05Å
331	F	54.6	Low	69.8	Low	133 Å²	133	87.3 Å²	87.3	58%	0.583	43%	0.426	S	S	*	.			trans	-134.9	95.7	-179.7	-59.8	-66.3	0	0	0	110	I322	I322-F331 HydrophobicContact CG2-CB 4.48Å
332	T	73.9	Confident	71.4	Confident	68 Å²	68	82.4 Å²	82.4	42%	0.417	40%	0.404	S	S	.	.			trans	-53.1	150.2	149.4	-15.9	0	0	0	0	108.5	E337 M340	T332-E337 WeakPolarHBondContact CB-OE1 3.49Å; T332-E337 PolarHBondContact OG1-OE1 2.83Å; T332-M340 HydrophobicContact CG2-CE 4.03Å
333	D	86.2	Confident	73.4	Confident	9 Å²	9	79.6 Å²	79.6	5%	0.048	39%	0.39	C	S	.	.			trans	-74.2	160.4	174.2	69.4	91	0	0	0	111.7	I322 W335 S336 E337	I322-D333 HydrophobicContact CD1-CB 3.9Å; D333-W335 VanDerWaalsContact C-N 3.26Å; D333-W335 PolarHBondContact O-N 2.96Å; D333-W335 WeakPolarHBondContact OD1-CB 3.42Å; D333-W335 PolarHBondContact OD1-N 2.75Å; D333-S336 WeakPolarHBondContact O-CB 3.42Å; D333-S336 PolarHBondContact O-N 2.85Å; D333-S336 PolarHBondContact OD1-N 2.89Å; D333-S336 PolarHBondContact OD1-OG 3.09Å; D333-S336 WeakPolarHBondContact OD2-CB 3.28Å; D333-S336 PolarHBondContact OD2-OG 3.33Å; D333-E337 PolarHBondContact O-N 2.84Å
334	Q	91.1	Very high	75.5	Confident	118 Å²	118	75.4 Å²	75.4	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-62.4	-31	-174.2	-67.5	175.6	-37.3	0	0	113.3	P291 A338	P291-Q334 HydrophobicContact CG-CB 3.98Å; Q334-A338 VanDerWaalsContact O-CB 3.32Å; Q334-A338 WeakPolarHBondContact O-CB 3.47Å; Q334-A338 PolarHBondContact O-N 3.25Å
335	W	94.6	Very high	77.7	Confident	8 Å²	8	70.7 Å²	70.7	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-71.8	-42	177.6	-73.1	90.7	0	0	0	111	W284 V286 A289 T290 P291 L315 D333 A338 C339	W284-W335 HydrophobicContact CD2-CH2 4.45Å; W284-W335 AromaticContact CE3-CH2 3.7Å; W284-W335 HydrophobicContact CE3-CH2 3.7Å; W284-W335 AromaticContact CE3-CZ3 3.72Å; W284-W335 HydrophobicContact CE3-CZ3 3.72Å; W284-W335 AromaticContact CH2-CH2 3.78Å; W284-W335 HydrophobicContact CH2-CH2 3.78Å; W284-W335 HydrophobicContact CH2-CZ3 4.37Å; W284-W335 HydrophobicContact CZ2-CH2 4.49Å; W284-W335 AromaticContact CZ3-CH2 3.35Å; W284-W335 HydrophobicContact CZ3-CH2 3.35Å; W284-W335 AromaticContact CZ3-CZ3 3.51Å; W284-W335 HydrophobicContact CZ3-CZ3 3.51Å; V286-W335 HydrophobicContact CB-CH2 4.25Å; V286-W335 HydrophobicContact CB-CZ2 3.61Å; V286-W335 HydrophobicContact CG1-CD2 4.29Å; V286-W335 HydrophobicContact CG1-CE3 4.49Å; V286-W335 HydrophobicContact CG1-CH2 3.7Å; V286-W335 HydrophobicContact CG1-CZ2 3.47Å; V286-W335 VanDerWaalsContact CG1-CZ2 3.47Å; V286-W335 HydrophobicContact CG1-CZ3 4.22Å; V286-W335 HydrophobicContact CG2-CZ2 4.18Å; A289-W335 PolarHBondContact O-NE1 3.12Å; T290-W335 VanDerWaalsContact C-CZ2 3.5Å; T290-W335 VanDerWaalsContact O-CZ2 3.32Å; T290-W335 WeakPolarHBondContact O-CZ2 3.4Å; P291-W335 HydrophobicContact CB-CD2 3.95Å; P291-W335 HydrophobicContact CB-CE3 3.93Å; P291-W335 HydrophobicContact CB-CG 4.49Å; P291-W335 HydrophobicContact CB-CH2 4.4Å; P291-W335 HydrophobicContact CB-CZ2 4.4Å; P291-W335 HydrophobicContact CB-CZ3 4.16Å; L315-W335 HydrophobicContact CD1-CB 3.49Å; L315-W335 VanDerWaalsContact CD1-CB 3.49Å; L315-W335 HydrophobicContact CD1-CD2 3.95Å; L315-W335 HydrophobicContact CD1-CE3 4Å; L315-W335 HydrophobicContact CD1-CG 3.77Å; D333-W335 VanDerWaalsContact C-N 3.26Å; D333-W335 PolarHBondContact O-N 2.96Å; D333-W335 WeakPolarHBondContact OD1-CB 3.42Å; D333-W335 PolarHBondContact OD1-N 2.75Å; W335-A338 PolarHBondContact O-N 3.26Å; W335-C339 WeakPolarHBondContact O-CB 3.22Å; W335-C339 PolarHBondContact O-N 3.06Å; W335-C339 PolarHBondContact O-SG 2.91Å
336	S	94.1	Very high	79.9	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-43.7	173.2	-63.4	0	0	0	0	112.6	D333 M340 L362	D333-S336 WeakPolarHBondContact O-CB 3.42Å; D333-S336 PolarHBondContact O-N 2.85Å; D333-S336 PolarHBondContact OD1-N 2.89Å; D333-S336 PolarHBondContact OD1-OG 3.09Å; D333-S336 WeakPolarHBondContact OD2-CB 3.28Å; D333-S336 PolarHBondContact OD2-OG 3.33Å; S336-M340 WeakPolarHBondContact O-CB 3.46Å; S336-M340 WeakPolarHBondContact O-CG 3.38Å; S336-M340 PolarHBondContact O-N 3.29Å; S336-L362 WeakPolarHBondContact OG-CD2 3.5Å
337	E	92.4	Very high	81.9	Confident	57 Å²	57	59.3 Å²	59.3	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-48.7	173.8	-72.4	-57.7	150	0	0	112.3	T332 D333 C339 M340 E341 K639	T332-E337 WeakPolarHBondContact CB-OE1 3.49Å; T332-E337 PolarHBondContact OG1-OE1 2.83Å; D333-E337 PolarHBondContact O-N 2.84Å; E337-C339 VanDerWaalsContact C-N 3.27Å; E337-C339 PolarHBondContact O-N 2.94Å; E337-M340 HydrophobicContact CG-CE 4.34Å; E337-M340 PolarHBondContact O-N 2.58Å; E337-M340 VanDerWaalsContact OE1-CE 3.25Å; E337-M340 WeakPolarHBondContact OE1-CE 3.47Å; E337-M340 WeakPolarHBondContact OE2-CE 3.36Å; E337-E341 WeakPolarHBondContact O-CG 3.48Å; E337-E341 PolarHBondContact O-N 2.81Å; E337-K639 IonicContact OE2-NZ 2.78Å; E337-K639 PolarHBondContact OE2-NZ 3.25Å
338	A	94.8	Very high	84.5	Confident	20 Å²	20	54 Å²	54	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-38.1	179.6	0	0	0	0	0	112.4	P291 I295 Q334 W335 S342	P291-A338 HydrophobicContact CB-CB 3.86Å; P291-A338 HydrophobicContact CG-CB 4.01Å; I295-A338 HydrophobicContact CD1-CB 4.37Å; Q334-A338 VanDerWaalsContact O-CB 3.32Å; Q334-A338 WeakPolarHBondContact O-CB 3.47Å; Q334-A338 PolarHBondContact O-N 3.25Å; W335-A338 PolarHBondContact O-N 3.26Å; A338-S342 WeakPolarHBondContact O-CB 3.32Å; A338-S342 PolarHBondContact O-N 3.21Å; A338-S342 PolarHBondContact O-OG 3.44Å
339	C	96.5	Very high	87	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-45.9	173.1	-65.2	0	0	0	0	111.6	I313 W335 E337 E341 S342 L343 L362 F364	I313-C339 HydrophobicContact CD1-CB 4.17Å; W335-C339 WeakPolarHBondContact O-CB 3.22Å; W335-C339 PolarHBondContact O-N 3.06Å; W335-C339 PolarHBondContact O-SG 2.91Å; E337-C339 VanDerWaalsContact C-N 3.27Å; E337-C339 PolarHBondContact O-N 2.94Å; C339-E341 PolarHBondContact O-N 2.95Å; C339-S342 PolarHBondContact O-N 3Å; C339-L343 WeakPolarHBondContact O-CB 3.41Å; C339-L343 VanDerWaalsContact O-CG 3.26Å; C339-L343 WeakPolarHBondContact O-CG 3.43Å; C339-L343 PolarHBondContact O-N 2.79Å; C339-L362 HydrophobicContact CB-CD1 4.21Å; C339-F364 HydrophobicContact CB-CE2 3.88Å; C339-F364 HydrophobicContact CB-CZ 3.58Å
340	M	95.4	Very high	89.3	Confident	9 Å²	9	42 Å²	42	4%	0.044	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-41.3	176.1	-80.4	-172.8	-60.4	0	0	112.6	T332 S336 E337 L343 S344 L350 F364 K639 H640	T332-M340 HydrophobicContact CG2-CE 4.03Å; S336-M340 WeakPolarHBondContact O-CB 3.46Å; S336-M340 WeakPolarHBondContact O-CG 3.38Å; S336-M340 PolarHBondContact O-N 3.29Å; E337-M340 HydrophobicContact CG-CE 4.34Å; E337-M340 PolarHBondContact O-N 2.58Å; E337-M340 VanDerWaalsContact OE1-CE 3.25Å; E337-M340 WeakPolarHBondContact OE1-CE 3.47Å; E337-M340 WeakPolarHBondContact OE2-CE 3.36Å; M340-L343 PolarHBondContact O-N 2.82Å; M340-S344 WeakPolarHBondContact O-CB 3.39Å; M340-S344 PolarHBondContact O-N 2.91Å; M340-L350 HydrophobicContact CG-CB 4.34Å; M340-L350 HydrophobicContact CG-CD2 4.24Å; M340-L350 HydrophobicContact SD-CB 4.33Å; M340-L350 HydrophobicContact SD-CD2 3.73Å; M340-F364 HydrophobicContact CB-CE1 4.44Å; M340-F364 HydrophobicContact CG-CE1 3.7Å; M340-F364 HydrophobicContact CG-CZ 4.09Å; M340-K639 HydrophobicContact CB-CB 3.99Å; M340-K639 HydrophobicContact CB-CD 3.89Å; M340-K639 HydrophobicContact CB-CG 4Å; M340-K639 HydrophobicContact CG-CB 4.09Å; M340-K639 HydrophobicContact SD-CB 3.9Å; M340-K639 HydrophobicContact SD-CD 4.46Å; M340-H640 HydrophobicContact SD-CB 4.27Å
341	E	93.7	Very high	91.5	Very high	116 Å²	116	38 Å²	38	54%	0.542	20%	0.201	S	C	.	.	H	α-helix	trans	-72.1	-34.4	-179.6	-71.4	-175.7	163.6	0	0	113.1	E337 C339 P345 K639	E337-E341 WeakPolarHBondContact O-CG 3.48Å; E337-E341 PolarHBondContact O-N 2.81Å; C339-E341 PolarHBondContact O-N 2.95Å; E341-P345 WeakPolarHBondContact O-CD 3.42Å; E341-P345 WeakPolarHBondContact O-CG 3.42Å; E341-K639 IonicContact OE1-NZ 2.66Å; E341-K639 PolarHBondContact OE1-NZ 3.48Å
342	S	94.2	Very high	93.5	Very high	27 Å²	27	32.9 Å²	32.9	19%	0.189	18%	0.18	C	C	.	.	H	α-helix	trans	-72.5	-34.1	174.3	-56.5	0	0	0	0	112.4	I295 L299 L301 A338 C339 F346	I295-S342 VanDerWaalsContact CG1-OG 3.27Å; I295-S342 WeakPolarHBondContact CG1-OG 2.94Å; L299-S342 VanDerWaalsContact CD1-CB 3.45Å; L301-S342 WeakPolarHBondContact CD1-O 3.41Å; A338-S342 WeakPolarHBondContact O-CB 3.32Å; A338-S342 PolarHBondContact O-N 3.21Å; A338-S342 PolarHBondContact O-OG 3.44Å; C339-S342 PolarHBondContact O-N 3Å; S342-F346 WeakPolarHBondContact O-CD2 3.35Å; S342-F346 WeakPolarHBondContact O-CE2 3.24Å
343	L	95	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-96	-37.5	-170	-69.8	173.1	0	0	0	114.5	L299 L301 Y311 I313 C339 M340 P345 F346 Y348 F364	L299-L343 HydrophobicContact CD1-CD2 4.01Å; L299-L343 HydrophobicContact CD1-CG 4.03Å; L299-L343 HydrophobicContact CD2-CD1 4.41Å; L299-L343 HydrophobicContact CD2-CD2 4.31Å; L301-L343 HydrophobicContact CD1-CD2 4.21Å; L301-L343 HydrophobicContact CD2-CD2 4.25Å; Y311-L343 HydrophobicContact CD2-CD1 4.24Å; Y311-L343 HydrophobicContact CD2-CD2 3.62Å; Y311-L343 HydrophobicContact CE1-CD2 4.45Å; Y311-L343 HydrophobicContact CE2-CD2 3.46Å; Y311-L343 VanDerWaalsContact CE2-CD2 3.46Å; Y311-L343 HydrophobicContact CG-CD1 4.32Å; Y311-L343 HydrophobicContact CG-CD2 4.19Å; I313-L343 HydrophobicContact CD1-CD1 4.41Å; C339-L343 WeakPolarHBondContact O-CB 3.41Å; C339-L343 VanDerWaalsContact O-CG 3.26Å; C339-L343 WeakPolarHBondContact O-CG 3.43Å; C339-L343 PolarHBondContact O-N 2.79Å; M340-L343 PolarHBondContact O-N 2.82Å; L343-P345 VanDerWaalsContact C-CD 3.4Å; L343-F346 PolarHBondContact O-N 2.81Å; L343-Y348 HydrophobicContact CB-CD2 4.42Å; L343-Y348 HydrophobicContact CD2-CD2 4.24Å; L343-Y348 WeakPolarHBondContact O-CD2 3.41Å; L343-F364 HydrophobicContact CB-CD1 4.45Å; L343-F364 HydrophobicContact CD1-CB 4.18Å; L343-F364 HydrophobicContact CD1-CD1 3.82Å; L343-F364 HydrophobicContact CD1-CD2 3.68Å; L343-F364 HydrophobicContact CD1-CE1 4.02Å; L343-F364 HydrophobicContact CD1-CE2 3.9Å; L343-F364 HydrophobicContact CD1-CG 3.65Å; L343-F364 HydrophobicContact CD1-CZ 4.07Å
344	S	94.9	Very high	95	Very high	12 Å²	12	34.3 Å²	34.3	8%	0.084	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.8	-175.1	94.5	0	0	0	0	115.7	M340 F346 G347 Y348 G637	M340-S344 WeakPolarHBondContact O-CB 3.39Å; M340-S344 PolarHBondContact O-N 2.91Å; S344-F346 PolarHBondContact O-N 3.33Å; S344-F346 VanDerWaalsContact O-N 3.12Å; S344-G347 PolarHBondContact O-N 3.26Å; S344-Y348 WeakPolarHBondContact CA-O 3.38Å; S344-G637 VanDerWaalsContact CB-O 3.26Å; S344-G637 WeakPolarHBondContact CB-O 3.31Å; S344-G637 PolarHBondContact OG-O 3.06Å
345	P	92.6	Very high	95	Very high	79 Å²	79	31.7 Å²	31.7	51%	0.513	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-60.4	-18.5	170.9	-26	36.4	0	0	0	114.6	E341 L343	E341-P345 WeakPolarHBondContact O-CD 3.42Å; E341-P345 WeakPolarHBondContact O-CG 3.42Å; L343-P345 VanDerWaalsContact C-CD 3.4Å
346	F	92.5	Very high	94.9	Very high	91 Å²	91	31.5 Å²	31.5	40%	0.399	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-102.7	14.6	177	-57.2	-95.7	0	0	0	112.4	L301 S342 L343 S344 Y348	L301-F346 HydrophobicContact CB-CE2 4.3Å; L301-F346 HydrophobicContact CB-CZ 4.1Å; L301-F346 HydrophobicContact CD1-CD2 4.13Å; L301-F346 HydrophobicContact CD1-CE2 3.84Å; L301-F346 HydrophobicContact CD1-CZ 4.47Å; L301-F346 HydrophobicContact CD2-CD1 4.3Å; L301-F346 HydrophobicContact CD2-CD2 3.94Å; L301-F346 HydrophobicContact CD2-CE1 4.48Å; L301-F346 HydrophobicContact CD2-CE2 4.15Å; L301-F346 HydrophobicContact CD2-CG 4.03Å; L301-F346 HydrophobicContact CD2-CZ 4.41Å; L301-F346 HydrophobicContact CG-CE2 4.33Å; S342-F346 WeakPolarHBondContact O-CD2 3.35Å; S342-F346 WeakPolarHBondContact O-CE2 3.24Å; L343-F346 PolarHBondContact O-N 2.81Å; S344-F346 PolarHBondContact O-N 3.33Å; S344-F346 VanDerWaalsContact O-N 3.12Å; F346-Y348 HydrophobicContact CB-CD2 3.76Å; F346-Y348 HydrophobicContact CB-CE2 3.63Å
347	G	93.7	Very high	94.6	Very high	21 Å²	21	34.2 Å²	34.2	22%	0.216	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	12.1	174.1	0	0	0	0	0	115.5	S344 K366 Y367	S344-G347 PolarHBondContact O-N 3.26Å; G347-K366 CarbonylContact O-C 3.58Å; G347-K366 WeakPolarHBondContact O-CA 3.49Å; G347-Y367 PolarHBondContact O-N 2.89Å
348	Y	97.2	Very high	94.6	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.3	175.7	-59.4	-93.3	0	0	0	112	T308 Y311 L343 S344 F346 A365 K366	T308-Y348 PolarHBondContact O-OH 2.85Å; Y311-Y348 AromaticContact CD2-CD1 3.88Å; Y311-Y348 HydrophobicContact CD2-CD1 3.88Å; Y311-Y348 AromaticContact CD2-CE1 3.72Å; Y311-Y348 HydrophobicContact CD2-CE1 3.72Å; Y311-Y348 HydrophobicContact CD2-CG 4.4Å; Y311-Y348 HydrophobicContact CE2-CD1 4.1Å; Y311-Y348 HydrophobicContact CE2-CD2 4.38Å; Y311-Y348 AromaticContact CE2-CE1 3.58Å; Y311-Y348 HydrophobicContact CE2-CE1 3.58Å; Y311-Y348 AromaticContact CE2-CE2 3.9Å; Y311-Y348 HydrophobicContact CE2-CE2 3.9Å; Y311-Y348 HydrophobicContact CE2-CG 4.48Å; Y311-Y348 AromaticContact CE2-CZ 3.48Å; Y311-Y348 VanDerWaalsContact CE2-CZ 3.48Å; L343-Y348 HydrophobicContact CB-CD2 4.42Å; L343-Y348 HydrophobicContact CD2-CD2 4.24Å; L343-Y348 WeakPolarHBondContact O-CD2 3.41Å; S344-Y348 WeakPolarHBondContact CA-O 3.38Å; F346-Y348 HydrophobicContact CB-CD2 3.76Å; F346-Y348 HydrophobicContact CB-CE2 3.63Å; Y348-A365 CarbonylContact C-O 3.58Å; Y348-A365 WeakPolarHBondContact CA-O 3.31Å; Y348-K366 HydrophobicContact CD1-CG 3.78Å; Y348-K366 HydrophobicContact CE1-CD 4.36Å; Y348-K366 HydrophobicContact CE1-CG 3.46Å; Y348-K366 VanDerWaalsContact CE1-CG 3.46Å; Y348-K366 HydrophobicContact CG-CG 4.41Å; Y348-K366 WeakPolarHBondContact OH-CE 3.13Å
349	V	97.9	Very high	94.6	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.1	179.7	-175.9	0	0	0	0	109	V351 F364 A365 L370 F638 K639	V349-V351 PolarHBondContact O-N 3.26Å; V349-V351 VanDerWaalsContact O-N 3.13Å; V349-F364 VanDerWaalsContact O-CA 3.29Å; V349-F364 WeakPolarHBondContact O-CA 3.36Å; V349-A365 PolarHBondContact N-O 2.88Å; V349-A365 PolarHBondContact O-N 3.22Å; V349-A365 VanDerWaalsContact O-N 3.09Å; V349-L370 HydrophobicContact CB-CD1 4.11Å; V349-L370 HydrophobicContact CG1-CD1 4.29Å; V349-L370 HydrophobicContact CG2-CD1 4.15Å; V349-F638 HydrophobicContact CB-CE2 4.32Å; V349-F638 HydrophobicContact CG1-CD2 4.11Å; V349-F638 HydrophobicContact CG1-CE2 3.66Å; V349-F638 HydrophobicContact CG1-CZ 4.42Å; V349-F638 HydrophobicContact CG2-CD2 4.09Å; V349-F638 HydrophobicContact CG2-CE1 4.12Å; V349-F638 HydrophobicContact CG2-CE2 3.61Å; V349-F638 HydrophobicContact CG2-CZ 3.62Å; V349-K639 CarbonylContact C-O 3.48Å; V349-K639 WeakPolarHBondContact CA-O 3.48Å
350	L	98.1	Very high	94.5	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	105.5	171	-178.1	62.7	0	0	0	109.6	M340 T352 L362 F364 K639 H640	M340-L350 HydrophobicContact CG-CB 4.34Å; M340-L350 HydrophobicContact CG-CD2 4.24Å; M340-L350 HydrophobicContact SD-CB 4.33Å; M340-L350 HydrophobicContact SD-CD2 3.73Å; L350-T352 WeakPolarHBondContact CD1-O 3.29Å; L350-L362 HydrophobicContact CD1-CB 4.23Å; L350-L362 HydrophobicContact CD1-CD2 4.46Å; L350-F364 HydrophobicContact CB-CD1 3.97Å; L350-F364 HydrophobicContact CB-CE1 3.81Å; L350-F364 HydrophobicContact CB-CZ 4.49Å; L350-F364 HydrophobicContact CD1-CD1 4.24Å; L350-F364 HydrophobicContact CD1-CD2 4.3Å; L350-F364 HydrophobicContact CD1-CE1 3.95Å; L350-F364 HydrophobicContact CD1-CE2 4.01Å; L350-F364 HydrophobicContact CD1-CG 4.4Å; L350-F364 HydrophobicContact CD1-CZ 3.82Å; L350-F364 HydrophobicContact CG-CE1 4.4Å; L350-K639 PolarHBondContact N-O 3.25Å; L350-H640 HydrophobicContact CB-CB 4.28Å
351	V	97.9	Very high	94.7	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-49.8	-178.7	-170.3	0	0	0	0	110	V349 V363 A365 L370 L373 V376	V349-V351 PolarHBondContact O-N 3.26Å; V349-V351 VanDerWaalsContact O-N 3.13Å; V351-V363 HydrophobicContact CB-CG1 4.16Å; V351-V363 WeakPolarHBondContact CB-O 3.34Å; V351-V363 HydrophobicContact CG2-CG1 4.35Å; V351-V363 PolarHBondContact N-O 3.11Å; V351-A365 HydrophobicContact CG2-CB 3.91Å; V351-L370 HydrophobicContact CG2-CD2 3.7Å; V351-L373 HydrophobicContact CG1-CD1 4.39Å; V351-L373 HydrophobicContact CG2-CD1 4.02Å; V351-V376 HydrophobicContact CG1-CG2 4.25Å
352	T	96.9	Very high	94.9	Very high	25 Å²	25	25 Å²	25	15%	0.153	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	156.1	175.4	-172.2	0	0	0	0	111.7	L350 V363 V376 T378 A397	L350-T352 WeakPolarHBondContact CD1-O 3.29Å; T352-V363 HydrophobicContact CG2-CB 3.87Å; T352-V363 HydrophobicContact CG2-CG2 3.93Å; T352-V363 PolarHBondContact N-O 2.84Å; T352-V363 PolarHBondContact O-N 3.43Å; T352-V376 HydrophobicContact CG2-CG1 3.79Å; T352-T378 HydrophobicContact CG2-CG2 4.22Å; T352-T378 WeakPolarHBondContact OG1-CG2 3.14Å; T352-A397 HydrophobicContact CG2-CB 3.99Å
353	S	95.8	Very high	95.1	Very high	49 Å²	49	23.7 Å²	23.7	34%	0.343	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	129.9	179.1	173.8	0	0	0	0	108.3	L361 L362	S353-L361 WeakPolarHBondContact CA-O 3.02Å; S353-L362 WeakPolarHBondContact OG-CD2 3.4Å
354	E	95.1	Very high	95.3	Very high	58 Å²	58	23.7 Å²	23.7	27%	0.271	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144	178.1	-174.6	59.5	-94.5	0	0	111.2	I360 L361 T378 I395	E354-I360 WeakPolarHBondContact O-CA 3.35Å; E354-L361 PolarHBondContact N-O 3.01Å; E354-L361 PolarHBondContact O-N 2.84Å; E354-T378 HydrophobicContact CB-CG2 3.9Å; E354-T378 HydrophobicContact CG-CG2 4.46Å; E354-T378 WeakPolarHBondContact OE2-CB 3.42Å; E354-T378 PolarHBondContact OE2-OG1 2.85Å; E354-I395 HydrophobicContact CB-CG2 3.61Å; E354-I395 HydrophobicContact CG-CG2 3.51Å
355	R	92.8	Very high	95.5	Very high	63 Å²	63	23.1 Å²	23.1	24%	0.238	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	121.8	-168.7	177.3	165.3	-171.3	178.8	7	114.4	N319 Q357 I360	N319-R355 PolarHBondContact O-NH2 2.72Å; R355-Q357 VanDerWaalsContact CZ-O 3.31Å; R355-Q357 PolarHBondContact NE-O 2.77Å; R355-Q357 PolarHBondContact NH2-O 3.02Å; R355-I360 HydrophobicContact CB-CG1 4.31Å; R355-I360 HydrophobicContact CG-CD1 4.31Å; R355-I360 HydrophobicContact CG-CG1 3.92Å
356	M	90.9	Very high	95.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	93	172.2	-171.3	-177.8	74.6	0	0	110.2	G358 L359 T380 T381 R382 G390 K392 I395	M356-G358 PolarHBondContact O-N 3.46Å; M356-L359 HydrophobicContact CB-CB 4.36Å; M356-L359 HydrophobicContact CE-CB 4.41Å; M356-L359 HydrophobicContact CE-CD2 3.77Å; M356-L359 PolarHBondContact N-O 3.29Å; M356-L359 WeakPolarHBondContact O-CB 3.31Å; M356-L359 PolarHBondContact O-N 2.99Å; M356-T380 HydrophobicContact CB-CG2 3.75Å; M356-T380 HydrophobicContact CG-CG2 3.76Å; M356-T380 HydrophobicContact SD-CG2 3.46Å; M356-T380 WeakPolarHBondContact SD-CG2 3.3Å; M356-T381 VanDerWaalsContact SD-O 3.39Å; M356-R382 HydrophobicContact CG-CG 4.21Å; M356-R382 HydrophobicContact SD-CB 4.23Å; M356-R382 HydrophobicContact SD-CG 3.44Å; M356-R382 WeakPolarHBondContact SD-CG 3.17Å; M356-G390 WeakPolarHBondContact CE-O 3.48Å; M356-G390 VanDerWaalsContact O-O 3.13Å; M356-K392 WeakPolarHBondContact CE-O 3.21Å; M356-I395 HydrophobicContact CB-CD1 3.7Å; M356-I395 HydrophobicContact CB-CG1 3.9Å; M356-I395 VanDerWaalsContact N-CD1 3.31Å
357	Q	88.8	Confident	95.8	Very high	58 Å²	58	17.4 Å²	17.4	27%	0.271	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-99.8	-174.3	-55.8	-174.2	-3.8	0	0	112.8	S320 R355 W389 G390	S320-Q357 PolarHBondContact OG-O 2.85Å; S320-Q357 VanDerWaalsContact OG-O 3.1Å; R355-Q357 VanDerWaalsContact CZ-O 3.31Å; R355-Q357 PolarHBondContact NE-O 2.77Å; R355-Q357 PolarHBondContact NH2-O 3.02Å; Q357-W389 VanDerWaalsContact OE1-CD1 3.25Å; Q357-G390 VanDerWaalsContact CD-C 3.49Å; Q357-G390 VanDerWaalsContact NE2-N 3.11Å
358	G	91.1	Very high	95.9	Very high	7 Å²	7	20.4 Å²	20.4	7%	0.072	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	0.1	177.7	0	0	0	0	0	114.5	Q316 E317 V318 S320 M356	Q316-G358 CarbonylContact C-O 3.59Å; Q316-G358 VanDerWaalsContact C-O 3.28Å; Q316-G358 WeakPolarHBondContact CA-O 3.49Å; E317-G358 PolarHBondContact N-O 2.82Å; V318-G358 PolarHBondContact N-O 3.07Å; V318-G358 WeakPolarHBondContact O-CA 3.32Å; S320-G358 PolarHBondContact OG-N 3.44Å; M356-G358 PolarHBondContact O-N 3.46Å
359	L	94.8	Very high	95.8	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.016	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.7	167.1	-170.9	60.5	0	0	0	107.9	L315 Q316 M356 I395 N410 H412	L315-L359 WeakPolarHBondContact O-CA 3.44Å; Q316-L359 HydrophobicContact CG-CD1 3.72Å; M356-L359 HydrophobicContact CB-CB 4.36Å; M356-L359 HydrophobicContact CE-CB 4.41Å; M356-L359 HydrophobicContact CE-CD2 3.77Å; M356-L359 PolarHBondContact N-O 3.29Å; M356-L359 WeakPolarHBondContact O-CB 3.31Å; M356-L359 PolarHBondContact O-N 2.99Å; L359-I395 HydrophobicContact CB-CD1 3.95Å; L359-I395 HydrophobicContact CD2-CB 4.5Å; L359-I395 HydrophobicContact CD2-CD1 4.18Å; L359-I395 HydrophobicContact CD2-CG1 3.87Å; L359-I395 HydrophobicContact CG-CD1 3.7Å; L359-I395 HydrophobicContact CG-CG1 3.95Å; L359-I395 WeakPolarHBondContact O-CD1 3.47Å; L359-N410 VanDerWaalsContact CD1-ND2 3.32Å; L359-N410 WeakPolarHBondContact CD1-ND2 3.41Å; L359-H412 HydrophobicContact CD1-CB 4.14Å
360	I	96.3	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.7	178.1	-56.3	-172.2	0	0	0	109.1	G314 L315 V318 E354 R355 L362 N410	G314-I360 WeakPolarHBondContact CA-O 3.44Å; L315-I360 HydrophobicContact CB-CB 4.46Å; L315-I360 PolarHBondContact N-O 2.8Å; L315-I360 PolarHBondContact O-N 2.87Å; V318-I360 HydrophobicContact CB-CD1 3.86Å; V318-I360 HydrophobicContact CB-CG1 4.24Å; V318-I360 HydrophobicContact CG1-CD1 3.67Å; V318-I360 HydrophobicContact CG2-CD1 3.93Å; V318-I360 HydrophobicContact CG2-CG1 4.09Å; E354-I360 WeakPolarHBondContact O-CA 3.35Å; R355-I360 HydrophobicContact CB-CG1 4.31Å; R355-I360 HydrophobicContact CG-CD1 4.31Å; R355-I360 HydrophobicContact CG-CG1 3.92Å; I360-L362 HydrophobicContact CG2-CD2 3.67Å; I360-L362 HydrophobicContact CG2-CG 4.01Å; I360-N410 PolarHBondContact O-ND2 2.81Å
361	L	98.5	Very high	95.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.2	168.9	175.8	56.6	0	0	0	109.6	I312 S353 E354 I395 A397 F408 N410 F453	I312-L361 HydrophobicContact CG2-CD1 3.86Å; S353-L361 WeakPolarHBondContact CA-O 3.02Å; E354-L361 PolarHBondContact N-O 3.01Å; E354-L361 PolarHBondContact O-N 2.84Å; L361-I395 HydrophobicContact CB-CB 4.38Å; L361-I395 HydrophobicContact CB-CG2 3.78Å; L361-I395 HydrophobicContact CD2-CG2 4.21Å; L361-A397 HydrophobicContact CD2-CB 3.63Å; L361-A397 HydrophobicContact CG-CB 4.32Å; L361-F408 WeakPolarHBondContact CD2-O 3.5Å; L361-N410 HydrophobicContact CB-CB 4.33Å; L361-N410 HydrophobicContact CD1-CB 4.28Å; L361-F453 HydrophobicContact CD1-CE2 4.09Å; L361-F453 HydrophobicContact CD1-CZ 3.75Å
362	L	98.6	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139	175.1	-49.8	178.5	0	0	0	110.2	I313 S336 C339 L350 S353 I360 F364	I313-L362 HydrophobicContact CB-CB 4.29Å; I313-L362 PolarHBondContact N-O 2.89Å; I313-L362 PolarHBondContact O-N 2.82Å; S336-L362 WeakPolarHBondContact OG-CD2 3.5Å; C339-L362 HydrophobicContact CB-CD1 4.21Å; L350-L362 HydrophobicContact CD1-CB 4.23Å; L350-L362 HydrophobicContact CD1-CD2 4.46Å; S353-L362 WeakPolarHBondContact OG-CD2 3.4Å; I360-L362 HydrophobicContact CG2-CD2 3.67Å; I360-L362 HydrophobicContact CG2-CG 4.01Å; L362-F364 HydrophobicContact CB-CD2 4.28Å; L362-F364 HydrophobicContact CB-CE2 3.68Å; L362-F364 HydrophobicContact CD1-CE2 4.03Å; L362-F364 HydrophobicContact CD1-CZ 4.35Å; L362-F364 HydrophobicContact CG-CE2 4.48Å
363	V	98.8	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.1	176.6	177.6	0	0	0	0	109.2	M310 I312 V351 T352 A397 M399	M310-V363 HydrophobicContact CE-CG1 3.51Å; I312-V363 HydrophobicContact CD1-CB 4.34Å; I312-V363 HydrophobicContact CD1-CG1 3.86Å; I312-V363 HydrophobicContact CD1-CG2 3.99Å; V351-V363 HydrophobicContact CB-CG1 4.16Å; V351-V363 WeakPolarHBondContact CB-O 3.34Å; V351-V363 HydrophobicContact CG2-CG1 4.35Å; V351-V363 PolarHBondContact N-O 3.11Å; T352-V363 HydrophobicContact CG2-CB 3.87Å; T352-V363 HydrophobicContact CG2-CG2 3.93Å; T352-V363 PolarHBondContact N-O 2.84Å; T352-V363 PolarHBondContact O-N 3.43Å; V363-A397 HydrophobicContact CG2-CB 3.89Å; V363-M399 HydrophobicContact CG1-CE 4.26Å; V363-M399 HydrophobicContact CG1-SD 4.42Å
364	F	98.6	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.9	175.1	-59.2	-102.1	0	0	0	110.6	M310 Y311 I313 C339 M340 L343 V349 L350 L362	M310-F364 CarbonylContact C-O 3.59Å; M310-F364 VanDerWaalsContact CA-O 3.25Å; M310-F364 WeakPolarHBondContact CA-O 3.26Å; M310-F364 VanDerWaalsContact CG-O 3.28Å; M310-F364 WeakPolarHBondContact CG-O 3.21Å; Y311-F364 PolarHBondContact N-O 2.9Å; Y311-F364 PolarHBondContact O-N 2.88Å; I313-F364 HydrophobicContact CD1-CD2 4.37Å; I313-F364 HydrophobicContact CD1-CE2 4.08Å; C339-F364 HydrophobicContact CB-CE2 3.88Å; C339-F364 HydrophobicContact CB-CZ 3.58Å; M340-F364 HydrophobicContact CB-CE1 4.44Å; M340-F364 HydrophobicContact CG-CE1 3.7Å; M340-F364 HydrophobicContact CG-CZ 4.09Å; L343-F364 HydrophobicContact CB-CD1 4.45Å; L343-F364 HydrophobicContact CD1-CB 4.18Å; L343-F364 HydrophobicContact CD1-CD1 3.82Å; L343-F364 HydrophobicContact CD1-CD2 3.68Å; L343-F364 HydrophobicContact CD1-CE1 4.02Å; L343-F364 HydrophobicContact CD1-CE2 3.9Å; L343-F364 HydrophobicContact CD1-CG 3.65Å; L343-F364 HydrophobicContact CD1-CZ 4.07Å; V349-F364 VanDerWaalsContact O-CA 3.29Å; V349-F364 WeakPolarHBondContact O-CA 3.36Å; L350-F364 HydrophobicContact CB-CD1 3.97Å; L350-F364 HydrophobicContact CB-CE1 3.81Å; L350-F364 HydrophobicContact CB-CZ 4.49Å; L350-F364 HydrophobicContact CD1-CD1 4.24Å; L350-F364 HydrophobicContact CD1-CD2 4.3Å; L350-F364 HydrophobicContact CD1-CE1 3.95Å; L350-F364 HydrophobicContact CD1-CE2 4.01Å; L350-F364 HydrophobicContact CD1-CG 4.4Å; L350-F364 HydrophobicContact CD1-CZ 3.82Å; L350-F364 HydrophobicContact CG-CE1 4.4Å; L362-F364 HydrophobicContact CB-CD2 4.28Å; L362-F364 HydrophobicContact CB-CE2 3.68Å; L362-F364 HydrophobicContact CD1-CE2 4.03Å; L362-F364 HydrophobicContact CD1-CZ 4.35Å; L362-F364 HydrophobicContact CG-CE2 4.48Å
365	A	98.1	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.7	170.5	0	0	0	0	0	111	D309 M310 Y348 V349 V351 L370 L373	D309-A365 WeakPolarHBondContact O-CA 3.45Å; M310-A365 HydrophobicContact CG-CB 4.37Å; Y348-A365 CarbonylContact C-O 3.58Å; Y348-A365 WeakPolarHBondContact CA-O 3.31Å; V349-A365 PolarHBondContact N-O 2.88Å; V349-A365 PolarHBondContact O-N 3.22Å; V349-A365 VanDerWaalsContact O-N 3.09Å; V351-A365 HydrophobicContact CG2-CB 3.91Å; A365-L370 HydrophobicContact CB-CD2 4.43Å; A365-L373 HydrophobicContact CB-CD1 3.5Å; A365-L373 VanDerWaalsContact CB-CD1 3.5Å
366	K	96.4	Very high	95.4	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.096	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	139	172.3	-64.4	179.6	177.1	149.3	0	110.1	G306 T308 D309 G347 Y348 F368 H369	G306-K366 PolarHBondContact O-NZ 2.98Å; T308-K366 WeakPolarHBondContact O-CE 3.34Å; T308-K366 PolarHBondContact O-NZ 2.69Å; D309-K366 PolarHBondContact O-N 2.8Å; D309-K366 IonicContact OD1-NZ 2.68Å; D309-K366 PolarHBondContact OD1-NZ 3.12Å; G347-K366 CarbonylContact O-C 3.58Å; G347-K366 WeakPolarHBondContact O-CA 3.49Å; Y348-K366 HydrophobicContact CD1-CG 3.78Å; Y348-K366 HydrophobicContact CE1-CD 4.36Å; Y348-K366 HydrophobicContact CE1-CG 3.46Å; Y348-K366 VanDerWaalsContact CE1-CG 3.46Å; Y348-K366 HydrophobicContact CG-CG 4.41Å; Y348-K366 WeakPolarHBondContact OH-CE 3.13Å; K366-F368 HydrophobicContact CB-CD1 4.19Å; K366-F368 HydrophobicContact CB-CE1 3.85Å; K366-F368 HydrophobicContact CB-CE2 4.2Å; K366-F368 HydrophobicContact CB-CZ 3.88Å; K366-F368 HydrophobicContact CD-CE1 3.83Å; K366-F368 HydrophobicContact CD-CE2 4.12Å; K366-F368 HydrophobicContact CD-CZ 3.38Å; K366-F368 HydrophobicContact CG-CE1 4.4Å; K366-F368 HydrophobicContact CG-CZ 4.26Å; K366-F368 PolarHBondContact O-N 3.07Å; K366-F368 VanDerWaalsContact O-N 3.09Å; K366-H369 WeakPolarHBondContact O-CB 3.48Å; K366-H369 PolarHBondContact O-N 2.62Å
367	Y	96	Very high	95.7	Very high	27 Å²	27	17.9 Å²	17.9	11%	0.106	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-55.7	-34	-170.3	76.6	-86.3	0	0	0	114	G347 H369 L370 I679 P696	G347-Y367 PolarHBondContact O-N 2.89Å; Y367-H369 VanDerWaalsContact C-N 3.29Å; Y367-H369 PolarHBondContact O-N 2.92Å; Y367-L370 WeakPolarHBondContact O-CB 3.27Å; Y367-L370 VanDerWaalsContact O-CG 3.24Å; Y367-L370 WeakPolarHBondContact O-CG 3.26Å; Y367-L370 PolarHBondContact O-N 2.96Å; Y367-I679 HydrophobicContact CD1-CD1 4.48Å; Y367-I679 HydrophobicContact CD2-CD1 3.79Å; Y367-I679 HydrophobicContact CD2-CG2 4.42Å; Y367-I679 HydrophobicContact CE1-CD1 4.41Å; Y367-I679 HydrophobicContact CE2-CD1 3.7Å; Y367-I679 HydrophobicContact CE2-CG1 4.37Å; Y367-I679 HydrophobicContact CG-CD1 4.19Å; Y367-P696 WeakPolarHBondContact OH-CD 2.93Å
368	F	94.8	Very high	96.1	Very high	84 Å²	84	16.9 Å²	16.9	37%	0.368	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-71.6	-18.1	178.2	54.5	-103.7	0	0	0	114.1	K366 P371 F372	K366-F368 HydrophobicContact CB-CD1 4.19Å; K366-F368 HydrophobicContact CB-CE1 3.85Å; K366-F368 HydrophobicContact CB-CE2 4.2Å; K366-F368 HydrophobicContact CB-CZ 3.88Å; K366-F368 HydrophobicContact CD-CE1 3.83Å; K366-F368 HydrophobicContact CD-CE2 4.12Å; K366-F368 HydrophobicContact CD-CZ 3.38Å; K366-F368 HydrophobicContact CG-CE1 4.4Å; K366-F368 HydrophobicContact CG-CZ 4.26Å; K366-F368 PolarHBondContact O-N 3.07Å; K366-F368 VanDerWaalsContact O-N 3.09Å; F368-P371 WeakPolarHBondContact O-CD 3.32Å; F368-F372 WeakPolarHBondContact O-CE2 3.42Å
369	H	96.4	Very high	96.4	Very high	19 Å²	19	20.2 Å²	20.2	9%	0.088	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-82	-19.8	174.4	-69.7	-45.7	0	0	0	113.3	F277 D309 K366 Y367 F372 F402	F277-H369 AromaticContact CE2-CD2 3.8Å; F277-H369 AromaticContact CE2-CG 3.98Å; F277-H369 AromaticContact CE2-NE2 3.94Å; D309-H369 WeakPolarHBondContact CB-NE2 3.44Å; D309-H369 IonicContact OD1-CD2 3.2Å; D309-H369 IonicContact OD1-CE1 3.51Å; D309-H369 IonicContact OD1-NE2 3.1Å; D309-H369 PolarHBondContact OD1-NE2 3.12Å; K366-H369 WeakPolarHBondContact O-CB 3.48Å; K366-H369 PolarHBondContact O-N 2.62Å; Y367-H369 VanDerWaalsContact C-N 3.29Å; Y367-H369 PolarHBondContact O-N 2.92Å; H369-F372 WeakPolarHBondContact O-CD2 3.34Å; H369-F372 PolarHBondContact O-N 3.08Å; H369-F402 AromaticContact ND1-CZ 3.64Å
370	L	97.3	Very high	96.5	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-51.6	-42.9	-175	-59	175.8	0	0	0	114.2	V349 V351 A365 Y367 F372 L373 I690	V349-L370 HydrophobicContact CB-CD1 4.11Å; V349-L370 HydrophobicContact CG1-CD1 4.29Å; V349-L370 HydrophobicContact CG2-CD1 4.15Å; V351-L370 HydrophobicContact CG2-CD2 3.7Å; A365-L370 HydrophobicContact CB-CD2 4.43Å; Y367-L370 WeakPolarHBondContact O-CB 3.27Å; Y367-L370 VanDerWaalsContact O-CG 3.24Å; Y367-L370 WeakPolarHBondContact O-CG 3.26Å; Y367-L370 PolarHBondContact O-N 2.96Å; L370-F372 PolarHBondContact O-N 2.82Å; L370-L373 HydrophobicContact CD2-CD1 4.36Å; L370-L373 PolarHBondContact O-N 3.24Å; L370-I690 CarbonylContact C-O 3.6Å; L370-I690 HydrophobicContact CB-CB 4.21Å; L370-I690 HydrophobicContact CB-CG2 4.46Å; L370-I690 HydrophobicContact CD1-CB 4.19Å; L370-I690 HydrophobicContact CD1-CD1 4.16Å
371	P	97.1	Very high	96.5	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.026	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.3	-13.7	179.3	-24	35.6	0	0	0	115.3	F368 R374 P597 V693	F368-P371 WeakPolarHBondContact O-CD 3.32Å; P371-R374 VanDerWaalsContact O-CZ 3.27Å; P371-R374 PolarHBondContact O-NE 2.72Å; P371-R374 PolarHBondContact O-NH2 2.87Å; P371-P597 HydrophobicContact CB-CB 3.73Å; P371-V693 HydrophobicContact CG-CG1 4.37Å; P371-V693 HydrophobicContact CG-CG2 3.92Å
372	F	96.3	Very high	96.3	Very high	28 Å²	28	28.1 Å²	28.1	12%	0.123	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-110.2	-2.7	-177.4	-41.9	-67	0	0	0	113.1	F368 H369 L370 T400 F402 D595 P597	F368-F372 WeakPolarHBondContact O-CE2 3.42Å; H369-F372 WeakPolarHBondContact O-CD2 3.34Å; H369-F372 PolarHBondContact O-N 3.08Å; L370-F372 PolarHBondContact O-N 2.82Å; F372-T400 VanDerWaalsContact O-O 3.11Å; F372-F402 HydrophobicContact CB-CD1 3.45Å; F372-F402 VanDerWaalsContact CB-CD1 3.45Å; F372-F402 HydrophobicContact CB-CE1 3.35Å; F372-F402 HydrophobicContact CB-CG 4.27Å; F372-F402 HydrophobicContact CB-CZ 4.07Å; F372-F402 HydrophobicContact CD1-CD1 4.35Å; F372-F402 HydrophobicContact CD1-CE1 4.31Å; F372-F402 HydrophobicContact CD2-CD1 4.24Å; F372-F402 AromaticContact CD2-CE1 3.44Å; F372-F402 HydrophobicContact CD2-CE1 3.44Å; F372-F402 VanDerWaalsContact CD2-CE1 3.44Å; F372-F402 HydrophobicContact CD2-CZ 4.16Å; F372-F402 HydrophobicContact CE2-CE1 4.34Å; F372-F402 AromaticContact CG-CD1 3.75Å; F372-F402 HydrophobicContact CG-CD1 3.75Å; F372-F402 AromaticContact CG-CE1 3.41Å; F372-F402 HydrophobicContact CG-CE1 3.41Å; F372-F402 VanDerWaalsContact CG-CE1 3.41Å; F372-F402 HydrophobicContact CG-CZ 4.37Å; F372-F402 PolarHBondContact O-N 3.29Å; F372-D595 WeakPolarHBondContact CE1-O 3.27Å; F372-P597 HydrophobicContact CE1-CB 4.23Å
373	L	95.8	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	99	171.8	-57.5	-176.5	0	0	0	109.4	M310 V351 A365 L370 T400 V401 T689	M310-L373 HydrophobicContact CE-CD1 4.26Å; M310-L373 HydrophobicContact CE-CD2 4.28Å; V351-L373 HydrophobicContact CG1-CD1 4.39Å; V351-L373 HydrophobicContact CG2-CD1 4.02Å; A365-L373 HydrophobicContact CB-CD1 3.5Å; A365-L373 VanDerWaalsContact CB-CD1 3.5Å; L370-L373 HydrophobicContact CD2-CD1 4.36Å; L370-L373 PolarHBondContact O-N 3.24Å; L373-T400 WeakPolarHBondContact CA-O 3.38Å; L373-V401 HydrophobicContact CD2-CB 4.24Å; L373-V401 HydrophobicContact CD2-CG1 3.96Å; L373-V401 HydrophobicContact CD2-CG2 3.85Å; L373-T689 WeakPolarHBondContact O-CG2 3.3Å; L373-T689 PolarHBondContact O-OG1 2.85Å
374	R	92.4	Very high	95	Very high	30 Å²	30	29 Å²	29	11%	0.113	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.3	-164.7	-62.3	165.3	-174.6	174.6	7.2	112.9	P371 V376 M399 T400 V596 L598 M687	P371-R374 VanDerWaalsContact O-CZ 3.27Å; P371-R374 PolarHBondContact O-NE 2.72Å; P371-R374 PolarHBondContact O-NH2 2.87Å; R374-V376 PolarHBondContact O-N 3.41Å; R374-M399 CarbonylContact O-C 3.59Å; R374-M399 WeakPolarHBondContact O-CA 3.42Å; R374-T400 PolarHBondContact N-O 2.88Å; R374-T400 PolarHBondContact O-N 3.01Å; R374-T400 PolarHBondContact O-OG1 3.09Å; R374-V596 PolarHBondContact NH2-O 2.87Å; R374-L598 HydrophobicContact CG-CD1 4.02Å; R374-M687 HydrophobicContact CB-SD 4.12Å; R374-M687 HydrophobicContact CG-SD 4.3Å
375	G	91.7	Very high	93.9	Very high	23 Å²	23	35.5 Å²	35.5	24%	0.237	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60	45	177.9	0	0	0	0	0	112.7	Q377 R398	G375-Q377 PolarHBondContact O-N 3Å; G375-R398 PolarHBondContact O-NH1 3.24Å
376	V	95.8	Very high	92.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.8	-177.2	-176.2	0	0	0	0	109.3	V351 T352 R374 R398 M399 M687 T689	V351-V376 HydrophobicContact CG1-CG2 4.25Å; T352-V376 HydrophobicContact CG2-CG1 3.79Å; R374-V376 PolarHBondContact O-N 3.41Å; V376-R398 WeakPolarHBondContact CA-O 3.46Å; V376-M399 HydrophobicContact CG2-CB 4.05Å; V376-M687 PolarHBondContact N-O 3.26Å; V376-T689 HydrophobicContact CG2-CG2 4.28Å
377	Q	96.3	Very high	91.2	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.2	177.9	-62.7	176	-2.4	0	0	109.8	G375 R398 F436 D437	G375-Q377 PolarHBondContact O-N 3Å; Q377-R398 HydrophobicContact CB-CG 4.2Å; Q377-R398 PolarHBondContact N-O 3.45Å; Q377-R398 PolarHBondContact O-N 3.01Å; Q377-F436 HydrophobicContact CB-CD1 4.19Å; Q377-D437 PolarHBondContact NE2-O 2.94Å; Q377-D437 VanDerWaalsContact OE1-N 3.13Å
378	T	97.1	Very high	89.6	Confident	38 Å²	38	47.8 Å²	47.8	23%	0.233	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.1	177.3	51.6	0	0	0	0	110	T352 E354 S396 A397	T352-T378 HydrophobicContact CG2-CG2 4.22Å; T352-T378 WeakPolarHBondContact OG1-CG2 3.14Å; E354-T378 HydrophobicContact CB-CG2 3.9Å; E354-T378 HydrophobicContact CG-CG2 4.46Å; E354-T378 WeakPolarHBondContact OE2-CB 3.42Å; E354-T378 PolarHBondContact OE2-OG1 2.85Å; T378-S396 WeakPolarHBondContact CA-O 3.46Å; T378-A397 HydrophobicContact CG2-CB 4.04Å
379	E	97.1	Very high	88.4	Confident	77 Å²	77	50.2 Å²	50.2	36%	0.36	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159	176.9	-89.5	-59	159.4	0	0	111.6	I395 S396 Q434 F436	E379-I395 WeakPolarHBondContact O-CA 3.38Å; E379-S396 PolarHBondContact N-O 2.67Å; E379-S396 PolarHBondContact O-N 3.41Å; E379-Q434 HydrophobicContact CB-CB 4.09Å; E379-Q434 HydrophobicContact CB-CG 4.04Å; E379-F436 HydrophobicContact CB-CD1 4.42Å; E379-F436 HydrophobicContact CB-CE1 3.68Å; E379-F436 HydrophobicContact CB-CZ 4.21Å; E379-F436 HydrophobicContact CG-CD1 3.89Å; E379-F436 HydrophobicContact CG-CE1 3.66Å; E379-F436 HydrophobicContact CG-CZ 4.48Å
380	T	96.5	Very high	87.3	Confident	33 Å²	33	49.3 Å²	49.3	20%	0.202	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	121.4	-170	-72.7	0	0	0	0	113.1	M356 G394 I395	M356-T380 HydrophobicContact CB-CG2 3.75Å; M356-T380 HydrophobicContact CG-CG2 3.76Å; M356-T380 HydrophobicContact SD-CG2 3.46Å; M356-T380 WeakPolarHBondContact SD-CG2 3.3Å; T380-G394 WeakPolarHBondContact CA-O 3.31Å; T380-I395 HydrophobicContact CG2-CG1 4.41Å
381	T	96.3	Very high	86.6	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.6	177.3	-56.2	0	0	0	0	110.5	M356 T383 G393 G394 I430 Q433 Q434	M356-T381 VanDerWaalsContact SD-O 3.39Å; T381-T383 HydrophobicContact CG2-CG2 4.31Å; T381-G393 VanDerWaalsContact O-CA 3.31Å; T381-G393 WeakPolarHBondContact O-CA 2.95Å; T381-G394 PolarHBondContact N-O 3.37Å; T381-G394 PolarHBondContact O-N 2.9Å; T381-I430 HydrophobicContact CG2-CG1 4.08Å; T381-Q433 HydrophobicContact CG2-CB 4.18Å; T381-Q433 HydrophobicContact CG2-CG 4.47Å; T381-Q434 VanDerWaalsContact N-NE2 3.18Å; T381-Q434 WeakPolarHBondContact OG1-CG 3.42Å; T381-Q434 PolarHBondContact OG1-NE2 2.85Å
382	R	94.8	Very high	86.4	Confident	134 Å²	134	53.7 Å²	53.7	51%	0.506	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.8	170.8	-64	176.9	-171.5	90.8	13.4	109	M356 G387	M356-R382 HydrophobicContact CG-CG 4.21Å; M356-R382 HydrophobicContact SD-CB 4.23Å; M356-R382 HydrophobicContact SD-CG 3.44Å; M356-R382 WeakPolarHBondContact SD-CG 3.17Å; R382-G387 WeakPolarHBondContact CB-O 3.25Å; R382-G387 VanDerWaalsContact O-CA 3.31Å; R382-G387 WeakPolarHBondContact O-CA 3.37Å
383	T	90.6	Very high	86.4	Confident	13 Å²	13	52.3 Å²	52.3	8%	0.08	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-22.4	171.2	64	0	0	0	0	112.7	T381 L385 G386 G387 K392 G393 D426 I430	T381-T383 HydrophobicContact CG2-CG2 4.31Å; T383-L385 PolarHBondContact O-N 3.17Å; T383-G386 PolarHBondContact O-N 2.95Å; T383-G387 PolarHBondContact O-N 3.22Å; T383-K392 PolarHBondContact N-O 2.85Å; T383-K392 PolarHBondContact OG1-O 3.46Å; T383-G393 VanDerWaalsContact OG1-CA 3.31Å; T383-G393 WeakPolarHBondContact OG1-CA 3.18Å; T383-G393 PolarHBondContact OG1-N 2.86Å; T383-G393 VanDerWaalsContact OG1-N 3.11Å; T383-D426 VanDerWaalsContact CB-OD1 3.27Å; T383-D426 WeakPolarHBondContact CB-OD1 3.29Å; T383-D426 WeakPolarHBondContact CB-OD2 3.43Å; T383-D426 HydrophobicContact CG2-CB 4.07Å; T383-D426 VanDerWaalsContact OG1-CG 3.32Å; T383-D426 PolarHBondContact OG1-OD2 2.88Å; T383-I430 HydrophobicContact CG2-CG1 4.35Å
384	G	78.8	Confident	86.5	Confident	5 Å²	5	52.3 Å²	52.3	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	132	179	0	0	0	0	0	113.3	G386 G387 Y388 W389 K392	G384-G386 VanDerWaalsContact C-N 3.26Å; G384-G386 PolarHBondContact O-N 3.39Å; G384-G387 CarbonylContact O-C 3.58Å; G384-G387 PolarHBondContact O-N 2.81Å; G384-G387 VanDerWaalsContact O-N 3.17Å; G384-Y388 PolarHBondContact O-N 3.01Å; G384-W389 CarbonylContact C-O 3.59Å; G384-W389 WeakPolarHBondContact CA-O 3.25Å; G384-W389 PolarHBondContact N-O 2.95Å; G384-W389 PolarHBondContact O-N 3.38Å; G384-W389 VanDerWaalsContact O-O 3.07Å; G384-K392 PolarHBondContact N-O 2.96Å
385	L	76.9	Confident	86.8	Confident	137 Å²	137	50.9 Å²	50.9	72%	0.717	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.1	-174.1	-57	179.8	0	0	0	113.6	T383 Y388 W389	T383-L385 PolarHBondContact O-N 3.17Å; L385-Y388 WeakPolarHBondContact O-CD2 3.25Å; L385-W389 HydrophobicContact CB-CB 4.19Å; L385-W389 HydrophobicContact CD1-CB 3.97Å; L385-W389 HydrophobicContact CD1-CG 4.36Å; L385-W389 HydrophobicContact CG-CB 4.12Å
386	G	67.3	Low	87.1	Confident	70 Å²	70	49.8 Å²	49.8	72%	0.722	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	38.1	-177.2	0	0	0	0	0	112.8	T383 G384 Y388	T383-G386 PolarHBondContact O-N 2.95Å; G384-G386 VanDerWaalsContact C-N 3.26Å; G384-G386 PolarHBondContact O-N 3.39Å; G386-Y388 VanDerWaalsContact C-N 3.27Å; G386-Y388 PolarHBondContact O-N 2.92Å
387	G	71	Confident	87.2	Confident	28 Å²	28	49.5 Å²	49.5	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-10	-179.8	0	0	0	0	0	115.8	R382 T383 G384 W389	R382-G387 WeakPolarHBondContact CB-O 3.25Å; R382-G387 VanDerWaalsContact O-CA 3.31Å; R382-G387 WeakPolarHBondContact O-CA 3.37Å; T383-G387 PolarHBondContact O-N 3.22Å; G384-G387 CarbonylContact O-C 3.58Å; G384-G387 PolarHBondContact O-N 2.81Å; G384-G387 VanDerWaalsContact O-N 3.17Å; G387-W389 PolarHBondContact O-N 2.74Å
388	Y	60.5	Low	87.3	Confident	209 Å²	209	47.2 Å²	47.2	82%	0.82	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.1	177.2	-69.2	-67.7	0	0	0	114	G384 L385 G386	G384-Y388 PolarHBondContact O-N 3.01Å; L385-Y388 WeakPolarHBondContact O-CD2 3.25Å; G386-Y388 VanDerWaalsContact C-N 3.27Å; G386-Y388 PolarHBondContact O-N 2.92Å
389	W	70.4	Confident	87.2	Confident	135 Å²	135	45.4 Å²	45.4	51%	0.511	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.4	-176.1	-157.6	-92.2	0	0	0	112.4	Q357 G384 L385 G387 N391	Q357-W389 VanDerWaalsContact OE1-CD1 3.25Å; G384-W389 CarbonylContact C-O 3.59Å; G384-W389 WeakPolarHBondContact CA-O 3.25Å; G384-W389 PolarHBondContact N-O 2.95Å; G384-W389 PolarHBondContact O-N 3.38Å; G384-W389 VanDerWaalsContact O-O 3.07Å; L385-W389 HydrophobicContact CB-CB 4.19Å; L385-W389 HydrophobicContact CD1-CB 3.97Å; L385-W389 HydrophobicContact CD1-CG 4.36Å; L385-W389 HydrophobicContact CG-CB 4.12Å; G387-W389 PolarHBondContact O-N 2.74Å; W389-N391 PolarHBondContact O-N 2.81Å
390	G	72.3	Confident	87.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	28.3	-171.3	0	0	0	0	0	115.6	M356 Q357 K392	M356-G390 WeakPolarHBondContact CE-O 3.48Å; M356-G390 VanDerWaalsContact O-O 3.13Å; Q357-G390 VanDerWaalsContact CD-C 3.49Å; Q357-G390 VanDerWaalsContact NE2-N 3.11Å; G390-K392 VanDerWaalsContact C-N 3.33Å
391	N	83.6	Confident	87.1	Confident	73 Å²	73	41.8 Å²	41.8	39%	0.39	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-2.2	176.2	72.9	-37.4	0	0	0	113.5	W389	W389-N391 PolarHBondContact O-N 2.81Å
392	K	93.2	Very high	87	Confident	26 Å²	26	41.7 Å²	41.7	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149	176.8	-65.2	-70.7	173.3	-86.7	0	108.8	E317 M356 T383 G384 G390 H412 L413	E317-K392 IonicContact OE1-NZ 3Å; M356-K392 WeakPolarHBondContact CE-O 3.21Å; T383-K392 PolarHBondContact N-O 2.85Å; T383-K392 PolarHBondContact OG1-O 3.46Å; G384-K392 PolarHBondContact N-O 2.96Å; G390-K392 VanDerWaalsContact C-N 3.33Å; K392-H412 CarbonylContact C-O 3.55Å; K392-H412 VanDerWaalsContact CA-O 3.24Å; K392-H412 WeakPolarHBondContact CA-O 3.25Å; K392-H412 HydrophobicContact CD-CB 4.5Å; K392-H412 VanDerWaalsContact CD-O 3.26Å; K392-H412 WeakPolarHBondContact CD-O 3.28Å; K392-H412 WeakPolarHBondContact CE-NE2 3.39Å; K392-H412 PolarHBondContact NZ-CD2 2.66Å; K392-H412 VanDerWaalsContact NZ-CD2 3.29Å; K392-H412 PolarHBondContact NZ-CE1 3.12Å; K392-H412 PolarHBondContact NZ-ND1 2.93Å; K392-H412 PolarHBondContact NZ-NE2 3.4Å; K392-L413 VanDerWaalsContact CD-O 3.27Å; K392-L413 WeakPolarHBondContact CD-O 3.29Å; K392-L413 WeakPolarHBondContact CE-O 3.45Å
393	G	96.1	Very high	86.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.4	-149.6	-176.7	0	0	0	0	0	111.7	T381 T383 C411 H412	T381-G393 VanDerWaalsContact O-CA 3.31Å; T381-G393 WeakPolarHBondContact O-CA 2.95Å; T383-G393 VanDerWaalsContact OG1-CA 3.31Å; T383-G393 WeakPolarHBondContact OG1-CA 3.18Å; T383-G393 PolarHBondContact OG1-N 2.86Å; T383-G393 VanDerWaalsContact OG1-N 3.11Å; G393-C411 WeakPolarHBondContact O-CA 3.34Å; G393-H412 PolarHBondContact N-O 3.14Å; G393-H412 PolarHBondContact O-N 2.86Å
394	G	97.8	Very high	87	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.7	-175.5	0	0	0	0	0	113.6	T380 T381 N410 Q434	T380-G394 WeakPolarHBondContact CA-O 3.31Å; T381-G394 PolarHBondContact N-O 3.37Å; T381-G394 PolarHBondContact O-N 2.9Å; G394-N410 CarbonylContact C-O 3.53Å; G394-N410 WeakPolarHBondContact CA-O 3.34Å; G394-Q434 PolarHBondContact O-NE2 2.4Å
395	I	98.2	Very high	87.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.7	169.8	-63.1	173.9	0	0	0	107.8	E354 M356 L359 L361 E379 T380 N410	E354-I395 HydrophobicContact CB-CG2 3.61Å; E354-I395 HydrophobicContact CG-CG2 3.51Å; M356-I395 HydrophobicContact CB-CD1 3.7Å; M356-I395 HydrophobicContact CB-CG1 3.9Å; M356-I395 VanDerWaalsContact N-CD1 3.31Å; L359-I395 HydrophobicContact CB-CD1 3.95Å; L359-I395 HydrophobicContact CD2-CB 4.5Å; L359-I395 HydrophobicContact CD2-CD1 4.18Å; L359-I395 HydrophobicContact CD2-CG1 3.87Å; L359-I395 HydrophobicContact CG-CD1 3.7Å; L359-I395 HydrophobicContact CG-CG1 3.95Å; L359-I395 WeakPolarHBondContact O-CD1 3.47Å; L361-I395 HydrophobicContact CB-CB 4.38Å; L361-I395 HydrophobicContact CB-CG2 3.78Å; L361-I395 HydrophobicContact CD2-CG2 4.21Å; E379-I395 WeakPolarHBondContact O-CA 3.38Å; T380-I395 HydrophobicContact CG2-CG1 4.41Å; I395-N410 PolarHBondContact N-O 2.8Å; I395-N410 PolarHBondContact O-N 3.41Å
396	S	98.6	Very high	88.8	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.1	172.2	54.8	0	0	0	0	112.9	T378 E379 F408 Q434 F436	T378-S396 WeakPolarHBondContact CA-O 3.46Å; E379-S396 PolarHBondContact N-O 2.67Å; E379-S396 PolarHBondContact O-N 3.41Å; S396-F408 CarbonylContact C-O 3.47Å; S396-F408 WeakPolarHBondContact CA-O 3.22Å; S396-Q434 VanDerWaalsContact CB-OE1 3.25Å; S396-Q434 PolarHBondContact OG-OE1 3.34Å; S396-F436 WeakPolarHBondContact OG-CZ 3.4Å
397	A	98.3	Very high	90.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125	166.5	0	0	0	0	0	108.2	T352 L361 V363 T378 M399 F408	T352-A397 HydrophobicContact CG2-CB 3.99Å; L361-A397 HydrophobicContact CD2-CB 3.63Å; L361-A397 HydrophobicContact CG-CB 4.32Å; V363-A397 HydrophobicContact CG2-CB 3.89Å; T378-A397 HydrophobicContact CG2-CB 4.04Å; A397-M399 HydrophobicContact CB-CE 4.34Å; A397-F408 PolarHBondContact N-O 3.21Å; A397-F408 PolarHBondContact O-N 3.28Å
398	R	97.1	Very high	91.6	Very high	9 Å²	9	25.4 Å²	25.4	3%	0.034	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.4	-179.5	68.5	79.6	56.9	177.8	12.7	111.8	G375 V376 Q377 V406 C407 F436 S438 H447	G375-R398 PolarHBondContact O-NH1 3.24Å; V376-R398 WeakPolarHBondContact CA-O 3.46Å; Q377-R398 HydrophobicContact CB-CG 4.2Å; Q377-R398 PolarHBondContact N-O 3.45Å; Q377-R398 PolarHBondContact O-N 3.01Å; R398-V406 VanDerWaalsContact CA-O 3.31Å; R398-V406 WeakPolarHBondContact CA-O 3.22Å; R398-C407 HydrophobicContact CB-CB 4.11Å; R398-F436 HydrophobicContact CB-CE1 4.25Å; R398-F436 HydrophobicContact CB-CE2 4.37Å; R398-F436 HydrophobicContact CB-CZ 4.11Å; R398-F436 HydrophobicContact CG-CB 4.42Å; R398-F436 HydrophobicContact CG-CD1 3.36Å; R398-F436 HydrophobicContact CG-CD2 3.92Å; R398-F436 HydrophobicContact CG-CE1 3.34Å; R398-F436 HydrophobicContact CG-CE2 3.92Å; R398-F436 HydrophobicContact CG-CG 3.64Å; R398-F436 HydrophobicContact CG-CZ 3.62Å; R398-S438 PolarHBondContact NH2-OG 3.18Å; R398-H447 PolarHBondContact NE-NE2 3.33Å; R398-H447 PolarHBondContact NH2-NE2 3.22Å
399	M	96.9	Very high	93.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	171.7	178.4	58.7	-142.5	74.6	0	0	109.8	M310 V363 R374 V376 A397 V401 V406 F408	M310-M399 HydrophobicContact CE-CE 4.47Å; M310-M399 HydrophobicContact CE-SD 3.51Å; M310-M399 VanDerWaalsContact CE-SD 3.51Å; V363-M399 HydrophobicContact CG1-CE 4.26Å; V363-M399 HydrophobicContact CG1-SD 4.42Å; R374-M399 CarbonylContact O-C 3.59Å; R374-M399 WeakPolarHBondContact O-CA 3.42Å; V376-M399 HydrophobicContact CG2-CB 4.05Å; A397-M399 HydrophobicContact CB-CE 4.34Å; M399-V401 HydrophobicContact CG-CG2 3.9Å; M399-V406 PolarHBondContact N-O 3.49Å; M399-V406 PolarHBondContact O-N 3.41Å; M399-V406 VanDerWaalsContact O-O 3.08Å; M399-F408 HydrophobicContact CE-CD2 4.19Å; M399-F408 HydrophobicContact CE-CE2 4.26Å
400	T	94.9	Very high	94.8	Very high	35 Å²	35	9 Å²	9	22%	0.215	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	138.8	157.3	57.5	0	0	0	0	110.3	F372 L373 R374 H404	F372-T400 VanDerWaalsContact O-O 3.11Å; L373-T400 WeakPolarHBondContact CA-O 3.38Å; R374-T400 PolarHBondContact N-O 2.88Å; R374-T400 PolarHBondContact O-N 3.01Å; R374-T400 PolarHBondContact O-OG1 3.09Å; T400-H404 CarbonylContact C-O 3.53Å; T400-H404 WeakPolarHBondContact CA-O 3.43Å
401	V	95.9	Very high	96	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.9	-179.9	-176.1	0	0	0	0	106.4	F277 L373 M399 G403 H404 V406 F590	F277-V401 HydrophobicContact CD1-CG1 4.14Å; F277-V401 HydrophobicContact CE1-CG1 3.74Å; F277-V401 HydrophobicContact CZ-CG1 4Å; L373-V401 HydrophobicContact CD2-CB 4.24Å; L373-V401 HydrophobicContact CD2-CG1 3.96Å; L373-V401 HydrophobicContact CD2-CG2 3.85Å; M399-V401 HydrophobicContact CG-CG2 3.9Å; V401-G403 PolarHBondContact O-N 3.02Å; V401-H404 PolarHBondContact N-O 3Å; V401-H404 PolarHBondContact O-N 3.49Å; V401-V406 HydrophobicContact CB-CG2 4.09Å; V401-V406 HydrophobicContact CG2-CB 4.04Å; V401-V406 HydrophobicContact CG2-CG2 3.75Å; V401-F590 HydrophobicContact CB-CZ 4.25Å; V401-F590 HydrophobicContact CG1-CE2 4.2Å; V401-F590 HydrophobicContact CG1-CZ 3.93Å
402	F	94.5	Very high	96.7	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	29.6	-170.9	-54.6	-73.9	0	0	0	114.4	F277 H369 F372 F590 R593 A594 D595	F277-F402 AromaticContact CD2-CE2 3.53Å; F277-F402 HydrophobicContact CD2-CE2 3.53Å; F277-F402 HydrophobicContact CD2-CZ 4.22Å; F277-F402 AromaticContact CE2-CE2 3.72Å; F277-F402 HydrophobicContact CE2-CE2 3.72Å; F277-F402 HydrophobicContact CE2-CZ 4.26Å; F277-F402 HydrophobicContact CG-CE2 4.05Å; F277-F402 HydrophobicContact CZ-CE2 4.42Å; H369-F402 AromaticContact ND1-CZ 3.64Å; F372-F402 HydrophobicContact CB-CD1 3.45Å; F372-F402 VanDerWaalsContact CB-CD1 3.45Å; F372-F402 HydrophobicContact CB-CE1 3.35Å; F372-F402 HydrophobicContact CB-CG 4.27Å; F372-F402 HydrophobicContact CB-CZ 4.07Å; F372-F402 HydrophobicContact CD1-CD1 4.35Å; F372-F402 HydrophobicContact CD1-CE1 4.31Å; F372-F402 HydrophobicContact CD2-CD1 4.24Å; F372-F402 AromaticContact CD2-CE1 3.44Å; F372-F402 HydrophobicContact CD2-CE1 3.44Å; F372-F402 VanDerWaalsContact CD2-CE1 3.44Å; F372-F402 HydrophobicContact CD2-CZ 4.16Å; F372-F402 HydrophobicContact CE2-CE1 4.34Å; F372-F402 AromaticContact CG-CD1 3.75Å; F372-F402 HydrophobicContact CG-CD1 3.75Å; F372-F402 AromaticContact CG-CE1 3.41Å; F372-F402 HydrophobicContact CG-CE1 3.41Å; F372-F402 VanDerWaalsContact CG-CE1 3.41Å; F372-F402 HydrophobicContact CG-CZ 4.37Å; F372-F402 PolarHBondContact O-N 3.29Å; F402-F590 HydrophobicContact CD2-CD2 4.24Å; F402-F590 AromaticContact CD2-CE2 3.88Å; F402-F590 HydrophobicContact CD2-CE2 3.88Å; F402-R593 HydrophobicContact CB-CB 4.14Å; F402-R593 HydrophobicContact CB-CG 4.31Å; F402-R593 VanDerWaalsContact CZ-NH2 3.26Å; F402-A594 VanDerWaalsContact O-CB 3.25Å; F402-A594 WeakPolarHBondContact O-CB 3.48Å; F402-A594 PolarHBondContact O-N 2.8Å; F402-D595 WeakPolarHBondContact CD1-OD1 3.49Å; F402-D595 WeakPolarHBondContact CE1-OD1 3.47Å
403	G	91.9	Very high	96.9	Very high	31 Å²	31	4.6 Å²	4.6	32%	0.32	3%	0.033	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-8.7	179.7	0	0	0	0	0	115.9	V401	V401-G403 PolarHBondContact O-N 3.02Å
404	H	93.4	Very high	96.9	Very high	5 Å²	5	5.4 Å²	5.4	2%	0.023	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.4	176.9	-60.4	-84	0	0	0	110.7	T400 V401 I561 F590 Y592	T400-H404 CarbonylContact C-O 3.53Å; T400-H404 WeakPolarHBondContact CA-O 3.43Å; V401-H404 PolarHBondContact N-O 3Å; V401-H404 PolarHBondContact O-N 3.49Å; H404-I561 HydrophobicContact CB-CD1 4.34Å; H404-F590 HydrophobicContact CB-CD1 3.86Å; H404-F590 HydrophobicContact CB-CE1 3.79Å; H404-F590 AromaticContact CD2-CD1 3.29Å; H404-F590 WeakPolarHBondContact CD2-CD1 3.39Å; H404-F590 AromaticContact CD2-CE1 3.99Å; H404-F590 AromaticContact CD2-CG 3.68Å; H404-F590 AromaticContact CG-CD1 3.53Å; H404-F590 AromaticContact NE2-CD1 3.99Å; H404-Y592 AromaticContact CE1-CD1 3.81Å; H404-Y592 AromaticContact CE1-CE1 3.37Å; H404-Y592 WeakPolarHBondContact CE1-CE1 3.2Å; H404-Y592 AromaticContact CE1-CE2 3.74Å; H404-Y592 AromaticContact CE1-CZ 3.32Å; H404-Y592 AromaticContact NE2-CD2 3.76Å; H404-Y592 AromaticContact NE2-CE1 3.96Å; H404-Y592 AromaticContact NE2-CE2 3.57Å; H404-Y592 AromaticContact NE2-CZ 3.67Å; H404-Y592 PolarHBondContact NE2-O 2.97Å
405	S	95.9	Very high	96.7	Very high	8 Å²	8	6.8 Å²	6.8	6%	0.056	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.1	-174.2	64	0	0	0	0	112.1	H447 D448 I449	S405-H447 WeakPolarHBondContact OG-CA 3.25Å; S405-D448 WeakPolarHBondContact CB-OD2 3.18Å; S405-D448 PolarHBondContact N-OD2 2.84Å; S405-D448 WeakPolarHBondContact O-CA 3.5Å; S405-D448 WeakPolarHBondContact O-CB 3.47Å; S405-D448 PolarHBondContact O-N 2.95Å; S405-D448 PolarHBondContact OG-N 3.3Å; S405-D448 PolarHBondContact OG-OD2 3.33Å; S405-I449 PolarHBondContact O-N 3.02Å
406	V	97.5	Very high	96.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.4	-177	-173.4	0	0	0	0	110.1	R398 M399 V401 F408 I449 F451	R398-V406 VanDerWaalsContact CA-O 3.31Å; R398-V406 WeakPolarHBondContact CA-O 3.22Å; M399-V406 PolarHBondContact N-O 3.49Å; M399-V406 PolarHBondContact O-N 3.41Å; M399-V406 VanDerWaalsContact O-O 3.08Å; V401-V406 HydrophobicContact CB-CG2 4.09Å; V401-V406 HydrophobicContact CG2-CB 4.04Å; V401-V406 HydrophobicContact CG2-CG2 3.75Å; V406-F408 HydrophobicContact CB-CE2 4.49Å; V406-F408 HydrophobicContact CG1-CD2 4.34Å; V406-F408 HydrophobicContact CG1-CE1 3.99Å; V406-F408 HydrophobicContact CG1-CE2 3.69Å; V406-F408 HydrophobicContact CG1-CZ 3.49Å; V406-F408 VanDerWaalsContact CG1-CZ 3.49Å; V406-I449 WeakPolarHBondContact CA-O 3.48Å; V406-I449 HydrophobicContact CG1-CB 4.33Å; V406-I449 HydrophobicContact CG2-CB 4.3Å; V406-I449 HydrophobicContact CG2-CD1 4.19Å; V406-I449 HydrophobicContact CG2-CG1 4.4Å; V406-F451 HydrophobicContact CG1-CD2 4.34Å; V406-F451 HydrophobicContact CG1-CE2 4.46Å
407	C	98.4	Very high	96.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	173.8	-172.7	0	0	0	0	110.7	R398 H447 I449 V450 F451	R398-C407 HydrophobicContact CB-CB 4.11Å; C407-H447 HydrophobicContact CB-CB 4.1Å; C407-I449 PolarHBondContact N-O 3.33Å; C407-V450 WeakPolarHBondContact O-CA 3.41Å; C407-F451 PolarHBondContact O-N 2.77Å
408	F	98.8	Very high	95.9	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.8	174.9	-57.2	-78.8	0	0	0	108.6	V279 I281 M310 I312 L361 S396 A397 M399 V406 F451 F453	V279-F408 HydrophobicContact CG1-CE1 4.12Å; V279-F408 HydrophobicContact CG1-CZ 4.43Å; I281-F408 HydrophobicContact CD1-CD1 4.29Å; I281-F408 HydrophobicContact CD1-CE1 4.32Å; M310-F408 HydrophobicContact CE-CE2 3.87Å; M310-F408 HydrophobicContact CE-CZ 4.24Å; M310-F408 HydrophobicContact SD-CE2 4.26Å; M310-F408 HydrophobicContact SD-CZ 4.02Å; I312-F408 HydrophobicContact CB-CD1 4.36Å; I312-F408 HydrophobicContact CD1-CD1 3.88Å; I312-F408 HydrophobicContact CD1-CD2 3.79Å; I312-F408 HydrophobicContact CD1-CE1 3.75Å; I312-F408 HydrophobicContact CD1-CE2 3.64Å; I312-F408 HydrophobicContact CD1-CG 3.9Å; I312-F408 HydrophobicContact CD1-CZ 3.62Å; I312-F408 HydrophobicContact CG1-CD1 3.71Å; I312-F408 HydrophobicContact CG1-CE1 3.59Å; I312-F408 HydrophobicContact CG1-CE2 4.42Å; I312-F408 HydrophobicContact CG1-CG 4.2Å; I312-F408 HydrophobicContact CG1-CZ 3.96Å; I312-F408 HydrophobicContact CG2-CB 3.99Å; I312-F408 HydrophobicContact CG2-CD1 3.91Å; I312-F408 HydrophobicContact CG2-CG 4Å; L361-F408 WeakPolarHBondContact CD2-O 3.5Å; S396-F408 CarbonylContact C-O 3.47Å; S396-F408 WeakPolarHBondContact CA-O 3.22Å; A397-F408 PolarHBondContact N-O 3.21Å; A397-F408 PolarHBondContact O-N 3.28Å; M399-F408 HydrophobicContact CE-CD2 4.19Å; M399-F408 HydrophobicContact CE-CE2 4.26Å; V406-F408 HydrophobicContact CB-CE2 4.49Å; V406-F408 HydrophobicContact CG1-CD2 4.34Å; V406-F408 HydrophobicContact CG1-CE1 3.99Å; V406-F408 HydrophobicContact CG1-CE2 3.69Å; V406-F408 HydrophobicContact CG1-CZ 3.49Å; V406-F408 VanDerWaalsContact CG1-CZ 3.49Å; F408-F451 HydrophobicContact CD1-CB 3.88Å; F408-F451 AromaticContact CD1-CD2 3.7Å; F408-F451 HydrophobicContact CD1-CD2 3.7Å; F408-F451 HydrophobicContact CD1-CG 4.1Å; F408-F451 HydrophobicContact CE1-CB 4.45Å; F408-F451 AromaticContact CE1-CD2 3.41Å; F408-F451 HydrophobicContact CE1-CD2 3.41Å; F408-F451 VanDerWaalsContact CE1-CD2 3.41Å; F408-F451 AromaticContact CE1-CE2 3.95Å; F408-F451 HydrophobicContact CE1-CE2 3.95Å; F408-F451 HydrophobicContact CE1-CG 4.18Å; F408-F451 HydrophobicContact CZ-CD2 4.41Å; F408-F453 HydrophobicContact CB-CE1 3.97Å; F408-F453 HydrophobicContact CB-CZ 4.19Å
409	L	98.8	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.6	-177.6	173.9	62	0	0	0	110.4	F427 I430 L431 V444 F451 W452 F453	L409-F427 HydrophobicContact CD2-CE2 4.14Å; L409-I430 HydrophobicContact CD1-CG2 3.78Å; L409-I430 HydrophobicContact CD2-CG2 3.96Å; L409-I430 HydrophobicContact CG-CG2 4.49Å; L409-L431 HydrophobicContact CD2-CD2 4.1Å; L409-V444 HydrophobicContact CD2-CG1 4.4Å; L409-F451 PolarHBondContact N-O 2.94Å; L409-W452 HydrophobicContact CD2-CG 4.43Å; L409-W452 WeakPolarHBondContact O-CA 3.26Å; L409-F453 WeakPolarHBondContact O-CD1 3.44Å; L409-F453 PolarHBondContact O-N 2.88Å
410	N	98.8	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.4	171.3	178.5	19.8	0	0	0	110.3	G314 L315 Q316 L359 I360 L361 G394 I395 F453	G314-N410 WeakPolarHBondContact CA-ND2 3.26Å; L315-N410 PolarHBondContact N-ND2 3.2Å; Q316-N410 PolarHBondContact NE2-OD1 3.13Å; L359-N410 VanDerWaalsContact CD1-ND2 3.32Å; L359-N410 WeakPolarHBondContact CD1-ND2 3.41Å; I360-N410 PolarHBondContact O-ND2 2.81Å; L361-N410 HydrophobicContact CB-CB 4.33Å; L361-N410 HydrophobicContact CD1-CB 4.28Å; G394-N410 CarbonylContact C-O 3.53Å; G394-N410 WeakPolarHBondContact CA-O 3.34Å; I395-N410 PolarHBondContact N-O 2.8Å; I395-N410 PolarHBondContact O-N 3.41Å; N410-F453 CarbonylContact C-O 3.6Å; N410-F453 WeakPolarHBondContact CA-O 3.43Å; N410-F453 HydrophobicContact CB-CD2 4.21Å; N410-F453 HydrophobicContact CB-CE2 3.71Å; N410-F453 HydrophobicContact CB-CZ 4.11Å
411	C	97.8	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.7	178.7	-67.9	0	0	0	0	113.8	G393 L413 F453 G454 D455 L456	G393-C411 WeakPolarHBondContact O-CA 3.34Å; C411-L413 HydrophobicContact CB-CD2 3.95Å; C411-L413 HydrophobicContact CB-CG 4.06Å; C411-F453 PolarHBondContact N-O 3.29Å; C411-G454 VanDerWaalsContact O-CA 3.29Å; C411-G454 WeakPolarHBondContact O-CA 2.45Å; C411-D455 PolarHBondContact O-N 3.44Å; C411-D455 VanDerWaalsContact O-N 3.12Å; C411-L456 HydrophobicContact CB-CD2 3.9Å
412	H	98.1	Very high	95.3	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	104.3	156.4	-170.3	164.4	0	0	0	107.9	Q316 E317 L359 K392 G393 D455 N457	Q316-H412 HydrophobicContact CB-CB 4.32Å; Q316-H412 HydrophobicContact CG-CB 3.99Å; E317-H412 VanDerWaalsContact CG-CE1 3.48Å; E317-H412 WeakPolarHBondContact CG-CE1 3.34Å; E317-H412 IonicContact OE1-CE1 2.85Å; E317-H412 PolarHBondContact OE1-CE1 2.74Å; E317-H412 VanDerWaalsContact OE1-CE1 3.31Å; L359-H412 HydrophobicContact CD1-CB 4.14Å; K392-H412 CarbonylContact C-O 3.55Å; K392-H412 VanDerWaalsContact CA-O 3.24Å; K392-H412 WeakPolarHBondContact CA-O 3.25Å; K392-H412 HydrophobicContact CD-CB 4.5Å; K392-H412 VanDerWaalsContact CD-O 3.26Å; K392-H412 WeakPolarHBondContact CD-O 3.28Å; K392-H412 WeakPolarHBondContact CE-NE2 3.39Å; K392-H412 PolarHBondContact NZ-CD2 2.66Å; K392-H412 VanDerWaalsContact NZ-CD2 3.29Å; K392-H412 PolarHBondContact NZ-CE1 3.12Å; K392-H412 PolarHBondContact NZ-ND1 2.93Å; K392-H412 PolarHBondContact NZ-NE2 3.4Å; G393-H412 PolarHBondContact N-O 3.14Å; G393-H412 PolarHBondContact O-N 2.86Å; H412-D455 WeakPolarHBondContact CA-O 3.18Å; H412-D455 IonicContact CD2-OD2 2.83Å; H412-D455 IonicContact CE1-OD2 2.88Å; H412-D455 IonicContact NE2-OD2 3.31Å; H412-D455 PolarHBondContact NE2-OD2 3.07Å; H412-N457 PolarHBondContact CD2-ND2 2.88Å; H412-N457 PolarHBondContact NE2-ND2 3.07Å
413	L	97.5	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.			trans	-93.8	165.5	-173.3	-59.2	-174.6	0	0	0	113	K392 C411 A415 R423 D426 I430 W452 D455 L456 N457	K392-L413 VanDerWaalsContact CD-O 3.27Å; K392-L413 WeakPolarHBondContact CD-O 3.29Å; K392-L413 WeakPolarHBondContact CE-O 3.45Å; C411-L413 HydrophobicContact CB-CD2 3.95Å; C411-L413 HydrophobicContact CB-CG 4.06Å; L413-A415 PolarHBondContact O-N 2.96Å; L413-R423 HydrophobicContact CB-CG 4.02Å; L413-R423 HydrophobicContact CD1-CB 4.46Å; L413-D426 HydrophobicContact CD2-CB 4.16Å; L413-I430 HydrophobicContact CD2-CD1 3.86Å; L413-W452 HydrophobicContact CD1-CZ2 4.05Å; L413-D455 PolarHBondContact N-O 2.96Å; L413-L456 HydrophobicContact CD1-CB 4.22Å; L413-L456 HydrophobicContact CD1-CD2 4.06Å; L413-L456 HydrophobicContact CG-CD2 4.35Å; L413-N457 PolarHBondContact O-ND2 3.19Å
414	P	96.3	Very high	95.6	Very high	17 Å²	17	32.4 Å²	32.4	11%	0.11	16%	0.164	C	C	.	.			trans	-52.6	122.8	-179.5	-31.9	39	0	0	0	113	N419 D422 R423 D426 N457	P414-N419 HydrophobicContact CB-CB 4.36Å; P414-D422 HydrophobicContact CB-CB 3.92Å; P414-D422 HydrophobicContact CG-CB 3.93Å; P414-R423 HydrophobicContact CB-CG 4.29Å; P414-R423 WeakPolarHBondContact O-CG 3.41Å; P414-R423 PolarHBondContact O-NH1 2.81Å; P414-D426 WeakPolarHBondContact CD-OD2 3.4Å; P414-D426 HydrophobicContact CG-CB 4.31Å; P414-D426 WeakPolarHBondContact CG-OD2 3.35Å; P414-N457 WeakPolarHBondContact O-CB 3.49Å
415	A	93.6	Very high	95.6	Very high	29 Å²	29	39.8 Å²	39.8	24%	0.24	19%	0.193	C	C	.	.			trans	-75.6	176	177.5	0	0	0	0	0	112.2	L413 N419 N457	L413-A415 PolarHBondContact O-N 2.96Å; A415-N419 PolarHBondContact O-ND2 2.87Å; A415-N457 VanDerWaalsContact CA-CG 3.49Å; A415-N457 WeakPolarHBondContact CA-OD1 3.38Å; A415-N457 VanDerWaalsContact CB-OD1 3.31Å; A415-N457 WeakPolarHBondContact CB-OD1 3.21Å
416	H	91.8	Very high	95.6	Very high	85 Å²	85	40.1 Å²	40.1	39%	0.394	19%	0.194	S	C	.	.	S	Bend	trans	78.2	159.2	-174.4	-65.6	-133.5	0	0	0	114	E418 R423 R526	H416-E418 WeakPolarHBondContact CB-OE2 3.27Å; H416-R423 PolarHBondContact O-NH1 3.31Å; H416-R423 PolarHBondContact O-NH2 2.86Å; H416-R526 PolarHBondContact CE1-NH2 3.44Å; H416-R526 PolarHBondContact NE2-NH2 3.39Å
417	I	92.2	Very high	95.6	Very high	50 Å²	50	40.1 Å²	40.1	26%	0.256	19%	0.194	S	C	.	.	S	Bend	trans	-81.1	-36.6	-168	179.6	165	0	0	0	111.5	N419 R423 R459 E461 Q485	I417-N419 PolarHBondContact O-N 3.16Å; I417-R423 PolarHBondContact O-NH2 2.9Å; I417-R459 HydrophobicContact CB-CB 4.18Å; I417-R459 HydrophobicContact CB-CG 3.98Å; I417-R459 HydrophobicContact CD1-CB 4.28Å; I417-R459 HydrophobicContact CG1-CB 3.99Å; I417-R459 HydrophobicContact CG1-CG 4.33Å; I417-E461 HydrophobicContact CD1-CG 4.49Å; I417-Q485 PolarHBondContact O-NE2 3.18Å
418	E	93.6	Very high	95.4	Very high	127 Å²	127	43.6 Å²	43.6	59%	0.593	21%	0.21	S	C	*	.	S	Bend	trans	-62.6	-40.7	-178.8	-55.9	81.7	177.6	0	0	111.9	H416 H420	H416-E418 WeakPolarHBondContact CB-OE2 3.27Å; E418-H420 PolarHBondContact O-N 3.07Å; E418-H420 PolarHBondContact O-ND1 3.03Å
419	N	93.9	Very high	95.3	Very high	56 Å²	56	44.5 Å²	44.5	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	37.9	-169.4	-61.3	30.1	0	0	0	114.4	P414 A415 I417 D422 R423	P414-N419 HydrophobicContact CB-CB 4.36Å; A415-N419 PolarHBondContact O-ND2 2.87Å; I417-N419 PolarHBondContact O-N 3.16Å; N419-D422 HydrophobicContact CB-CB 4.14Å; N419-D422 VanDerWaalsContact CB-OD2 3.24Å; N419-D422 WeakPolarHBondContact CB-OD2 3.42Å; N419-D422 VanDerWaalsContact CG-OD2 3.26Å; N419-D422 PolarHBondContact ND2-OD2 3.36Å; N419-R423 WeakPolarHBondContact O-CG 3.42Å; N419-R423 PolarHBondContact O-N 3.03Å; N419-R423 PolarHBondContact O-NH1 2.65Å
420	H	91.9	Very high	95.2	Very high	65 Å²	65	44.5 Å²	44.5	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-73.2	-38.7	-179.1	78.8	-67.5	0	0	0	112.6	E418 R423 M424	E418-H420 PolarHBondContact O-N 3.07Å; E418-H420 PolarHBondContact O-ND1 3.03Å; H420-R423 WeakPolarHBondContact O-CB 3.39Å; H420-R423 PolarHBondContact O-N 3.04Å; H420-M424 PolarHBondContact O-N 3.26Å
421	E	92.8	Very high	95.1	Very high	143 Å²	143	45.2 Å²	45.2	67%	0.668	22%	0.22	S	C	*	.	H	α-helix	trans	-59.8	-45.5	170.6	-65.2	174.9	-164.4	0	0	110.8	R423 M424 Y425	E421-R423 VanDerWaalsContact C-N 3.26Å; E421-R423 PolarHBondContact O-N 3.04Å; E421-M424 PolarHBondContact O-N 3.15Å; E421-M424 VanDerWaalsContact O-N 3.08Å; E421-Y425 PolarHBondContact O-N 3.19Å
422	D	94.8	Very high	94.9	Very high	76 Å²	76	51.3 Å²	51.3	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-36.9	175.8	-61.4	-38.2	0	0	0	112.1	P414 N419 D426	P414-D422 HydrophobicContact CB-CB 3.92Å; P414-D422 HydrophobicContact CG-CB 3.93Å; N419-D422 HydrophobicContact CB-CB 4.14Å; N419-D422 VanDerWaalsContact CB-OD2 3.24Å; N419-D422 WeakPolarHBondContact CB-OD2 3.42Å; N419-D422 VanDerWaalsContact CG-OD2 3.26Å; N419-D422 PolarHBondContact ND2-OD2 3.36Å; D422-D426 VanDerWaalsContact O-CB 3.3Å; D422-D426 WeakPolarHBondContact O-CB 3.4Å; D422-D426 PolarHBondContact O-N 3.02Å
423	R	95.8	Very high	94.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-37.3	176.7	-75	-174.9	-81.1	-76.8	5.4	112.6	L413 P414 H416 I417 N419 H420 E421 F427 L456	L413-R423 HydrophobicContact CB-CG 4.02Å; L413-R423 HydrophobicContact CD1-CB 4.46Å; P414-R423 HydrophobicContact CB-CG 4.29Å; P414-R423 WeakPolarHBondContact O-CG 3.41Å; P414-R423 PolarHBondContact O-NH1 2.81Å; H416-R423 PolarHBondContact O-NH1 3.31Å; H416-R423 PolarHBondContact O-NH2 2.86Å; I417-R423 PolarHBondContact O-NH2 2.9Å; N419-R423 WeakPolarHBondContact O-CG 3.42Å; N419-R423 PolarHBondContact O-N 3.03Å; N419-R423 PolarHBondContact O-NH1 2.65Å; H420-R423 WeakPolarHBondContact O-CB 3.39Å; H420-R423 PolarHBondContact O-N 3.04Å; E421-R423 VanDerWaalsContact C-N 3.26Å; E421-R423 PolarHBondContact O-N 3.04Å; R423-F427 WeakPolarHBondContact O-CB 3.46Å; R423-F427 PolarHBondContact O-N 3.29Å; R423-L456 WeakPolarHBondContact CD-O 3.35Å
424	M	95.1	Very high	94.7	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.064	27%	0.273	C	S	.	.	H	α-helix	trans	-78.4	-39.3	178.8	-62.1	-64.8	78.7	0	0	111.8	H420 E421 D426 F427 E428 W452 F458 T489 E493 V495 L496	H420-M424 PolarHBondContact O-N 3.26Å; E421-M424 PolarHBondContact O-N 3.15Å; E421-M424 VanDerWaalsContact O-N 3.08Å; M424-D426 PolarHBondContact O-N 2.76Å; M424-F427 HydrophobicContact CE-CB 4Å; M424-F427 HydrophobicContact CE-CD1 4.24Å; M424-F427 HydrophobicContact CE-CG 4.45Å; M424-F427 PolarHBondContact O-N 2.88Å; M424-E428 PolarHBondContact O-N 3Å; M424-W452 HydrophobicContact CE-CH2 4.41Å; M424-F458 HydrophobicContact CE-CE1 4.41Å; M424-F458 HydrophobicContact CE-CE2 3.99Å; M424-F458 HydrophobicContact CE-CZ 3.41Å; M424-F458 VanDerWaalsContact CE-CZ 3.41Å; M424-F458 HydrophobicContact SD-CZ 4.07Å; M424-T489 HydrophobicContact CG-CG2 4.13Å; M424-T489 HydrophobicContact SD-CG2 3.82Å; M424-E493 HydrophobicContact CG-CG 4.28Å; M424-E493 HydrophobicContact SD-CG 4.32Å; M424-V495 HydrophobicContact SD-CG1 4.42Å; M424-L496 HydrophobicContact SD-CD1 4.21Å; M424-L496 HydrophobicContact SD-CD2 4.39Å; M424-L496 HydrophobicContact SD-CG 4.4Å
425	Y	94.9	Very high	94.7	Very high	160 Å²	160	60.2 Å²	60.2	63%	0.627	29%	0.289	S	S	*	.	H	α-helix	trans	-58.1	-47.1	169.3	-178.6	-98.3	0	0	0	112.3	E421 F427 S429	E421-Y425 PolarHBondContact O-N 3.19Å; Y425-F427 VanDerWaalsContact C-N 3.34Å; Y425-F427 PolarHBondContact O-N 2.84Å; Y425-S429 WeakPolarHBondContact O-CB 3.5Å; Y425-S429 PolarHBondContact O-N 3.34Å
426	D	95.6	Very high	94.7	Very high	16 Å²	16	59.5 Å²	59.5	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-40.7	176.5	-90.7	14.8	0	0	0	111.8	T383 L413 P414 D422 M424 S429 I430	T383-D426 VanDerWaalsContact CB-OD1 3.27Å; T383-D426 WeakPolarHBondContact CB-OD1 3.29Å; T383-D426 WeakPolarHBondContact CB-OD2 3.43Å; T383-D426 HydrophobicContact CG2-CB 4.07Å; T383-D426 VanDerWaalsContact OG1-CG 3.32Å; T383-D426 PolarHBondContact OG1-OD2 2.88Å; L413-D426 HydrophobicContact CD2-CB 4.16Å; P414-D426 WeakPolarHBondContact CD-OD2 3.4Å; P414-D426 HydrophobicContact CG-CB 4.31Å; P414-D426 WeakPolarHBondContact CG-OD2 3.35Å; D422-D426 VanDerWaalsContact O-CB 3.3Å; D422-D426 WeakPolarHBondContact O-CB 3.4Å; D422-D426 PolarHBondContact O-N 3.02Å; M424-D426 PolarHBondContact O-N 2.76Å; D426-S429 PolarHBondContact O-N 3.07Å; D426-I430 WeakPolarHBondContact O-CB 3.32Å; D426-I430 VanDerWaalsContact O-CD1 3.27Å; D426-I430 WeakPolarHBondContact O-CD1 3.46Å; D426-I430 WeakPolarHBondContact O-CG1 3.39Å; D426-I430 PolarHBondContact O-N 3.48Å
427	F	96.5	Very high	94.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-46.4	179.2	-178	-127.4	0	0	0	112.8	L409 R423 M424 Y425 S429 I430 L431 W452 V495 L496 F499	L409-F427 HydrophobicContact CD2-CE2 4.14Å; R423-F427 WeakPolarHBondContact O-CB 3.46Å; R423-F427 PolarHBondContact O-N 3.29Å; M424-F427 HydrophobicContact CE-CB 4Å; M424-F427 HydrophobicContact CE-CD1 4.24Å; M424-F427 HydrophobicContact CE-CG 4.45Å; M424-F427 PolarHBondContact O-N 2.88Å; Y425-F427 VanDerWaalsContact C-N 3.34Å; Y425-F427 PolarHBondContact O-N 2.84Å; F427-S429 VanDerWaalsContact C-N 3.3Å; F427-S429 PolarHBondContact O-N 2.91Å; F427-I430 WeakPolarHBondContact O-CB 3.46Å; F427-I430 PolarHBondContact O-N 2.81Å; F427-L431 HydrophobicContact CD1-CD1 4.16Å; F427-L431 HydrophobicContact CD2-CD1 4.3Å; F427-L431 HydrophobicContact CD2-CG 4.3Å; F427-L431 HydrophobicContact CE1-CD1 3.73Å; F427-L431 HydrophobicContact CE2-CD1 3.88Å; F427-L431 HydrophobicContact CE2-CD2 4.14Å; F427-L431 HydrophobicContact CE2-CG 3.98Å; F427-L431 HydrophobicContact CG-CD1 4.44Å; F427-L431 HydrophobicContact CZ-CD1 3.59Å; F427-L431 HydrophobicContact CZ-CD2 4.38Å; F427-L431 HydrophobicContact CZ-CG 4.2Å; F427-L431 WeakPolarHBondContact O-CG 3.37Å; F427-L431 PolarHBondContact O-N 2.86Å; F427-W452 HydrophobicContact CB-CZ2 4.48Å; F427-W452 AromaticContact CD1-CH2 3.91Å; F427-W452 HydrophobicContact CD1-CH2 3.91Å; F427-W452 HydrophobicContact CD1-CZ2 4.04Å; F427-W452 HydrophobicContact CD1-CZ3 4.44Å; F427-W452 HydrophobicContact CD2-CD2 4.25Å; F427-W452 AromaticContact CD2-CE2 3.53Å; F427-W452 HydrophobicContact CD2-CH2 4.17Å; F427-W452 AromaticContact CD2-CZ2 3.48Å; F427-W452 HydrophobicContact CD2-CZ2 3.48Å; F427-W452 VanDerWaalsContact CD2-CZ2 3.48Å; F427-W452 AromaticContact CD2-NE1 3.75Å; F427-W452 HydrophobicContact CE1-CD2 4.47Å; F427-W452 HydrophobicContact CE1-CE3 4.18Å; F427-W452 AromaticContact CE1-CH2 3.78Å; F427-W452 HydrophobicContact CE1-CH2 3.78Å; F427-W452 HydrophobicContact CE1-CZ2 4.08Å; F427-W452 AromaticContact CE1-CZ3 3.85Å; F427-W452 HydrophobicContact CE1-CZ3 3.85Å; F427-W452 AromaticContact CE2-CD1 3.87Å; F427-W452 AromaticContact CE2-CD2 3.45Å; F427-W452 HydrophobicContact CE2-CD2 3.45Å; F427-W452 VanDerWaalsContact CE2-CD2 3.45Å; F427-W452 AromaticContact CE2-CE2 3.21Å; F427-W452 AromaticContact CE2-CE3 3.98Å; F427-W452 HydrophobicContact CE2-CE3 3.98Å; F427-W452 AromaticContact CE2-CG 3.85Å; F427-W452 HydrophobicContact CE2-CG 3.85Å; F427-W452 HydrophobicContact CE2-CH2 4.05Å; F427-W452 AromaticContact CE2-CZ2 3.54Å; F427-W452 HydrophobicContact CE2-CZ2 3.54Å; F427-W452 HydrophobicContact CE2-CZ3 4.26Å; F427-W452 AromaticContact CE2-NE1 3.5Å; F427-W452 HydrophobicContact CG-CH2 4.1Å; F427-W452 AromaticContact CG-CZ2 3.74Å; F427-W452 HydrophobicContact CG-CZ2 3.74Å; F427-W452 AromaticContact CZ-CD2 3.57Å; F427-W452 HydrophobicContact CZ-CD2 3.57Å; F427-W452 AromaticContact CZ-CE2 3.7Å; F427-W452 AromaticContact CZ-CE3 3.58Å; F427-W452 HydrophobicContact CZ-CE3 3.58Å; F427-W452 HydrophobicContact CZ-CG 4.22Å; F427-W452 AromaticContact CZ-CH2 3.83Å; F427-W452 HydrophobicContact CZ-CH2 3.83Å; F427-W452 AromaticContact CZ-CZ2 3.82Å; F427-W452 HydrophobicContact CZ-CZ2 3.82Å; F427-W452 AromaticContact CZ-CZ3 3.73Å; F427-W452 HydrophobicContact CZ-CZ3 3.73Å; F427-V495 HydrophobicContact CD1-CB 4.48Å; F427-V495 HydrophobicContact CD1-CG1 3.89Å; F427-V495 HydrophobicContact CD1-CG2 3.76Å; F427-V495 HydrophobicContact CE1-CG1 4.22Å; F427-V495 HydrophobicContact CE1-CG2 3.78Å; F427-L496 HydrophobicContact CD1-CD2 4.27Å; F427-L496 HydrophobicContact CE1-CD2 3.88Å; F427-F499 HydrophobicContact CE1-CE2 4.47Å; F427-F499 HydrophobicContact CZ-CE2 4.03Å; F427-F499 HydrophobicContact CZ-CZ 4.11Å
428	E	95.8	Very high	93.7	Very high	73 Å²	73	61.6 Å²	61.6	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-56.8	-45.8	171	-77.8	-168.8	176.8	0	0	111.5	M424 I430 L431 Q432 V495	M424-E428 PolarHBondContact O-N 3Å; E428-I430 VanDerWaalsContact C-N 3.31Å; E428-I430 PolarHBondContact O-N 2.83Å; E428-L431 PolarHBondContact O-N 2.91Å; E428-Q432 WeakPolarHBondContact O-CB 3.49Å; E428-Q432 VanDerWaalsContact O-CG 3.24Å; E428-Q432 WeakPolarHBondContact O-CG 3.41Å; E428-Q432 PolarHBondContact O-N 3Å; E428-V495 HydrophobicContact CG-CB 4.01Å; E428-V495 HydrophobicContact CG-CG1 4.28Å; E428-V495 HydrophobicContact CG-CG2 3.76Å
429	S	95.2	Very high	92.5	Very high	19 Å²	19	65.4 Å²	65.4	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-36.6	-179.7	-171	0	0	0	0	112.3	Y425 D426 F427 Q433	Y425-S429 WeakPolarHBondContact O-CB 3.5Å; Y425-S429 PolarHBondContact O-N 3.34Å; D426-S429 PolarHBondContact O-N 3.07Å; F427-S429 VanDerWaalsContact C-N 3.3Å; F427-S429 PolarHBondContact O-N 2.91Å; S429-Q433 VanDerWaalsContact O-CB 3.26Å; S429-Q433 WeakPolarHBondContact O-CB 2.99Å; S429-Q433 WeakPolarHBondContact O-CG 3.5Å; S429-Q433 PolarHBondContact O-N 2.82Å; S429-Q433 VanDerWaalsContact O-N 3.11Å; S429-Q433 PolarHBondContact O-NE2 2.96Å; S429-Q433 PolarHBondContact OG-NE2 2.89Å
430	I	97.1	Very high	91.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-52	171	-71.3	158.6	0	0	0	110.7	T381 T383 L409 L413 D426 F427 E428 Q432 Q433 Q434	T381-I430 HydrophobicContact CG2-CG1 4.08Å; T383-I430 HydrophobicContact CG2-CG1 4.35Å; L409-I430 HydrophobicContact CD1-CG2 3.78Å; L409-I430 HydrophobicContact CD2-CG2 3.96Å; L409-I430 HydrophobicContact CG-CG2 4.49Å; L413-I430 HydrophobicContact CD2-CD1 3.86Å; D426-I430 WeakPolarHBondContact O-CB 3.32Å; D426-I430 VanDerWaalsContact O-CD1 3.27Å; D426-I430 WeakPolarHBondContact O-CD1 3.46Å; D426-I430 WeakPolarHBondContact O-CG1 3.39Å; D426-I430 PolarHBondContact O-N 3.48Å; F427-I430 WeakPolarHBondContact O-CB 3.46Å; F427-I430 PolarHBondContact O-N 2.81Å; E428-I430 VanDerWaalsContact C-N 3.31Å; E428-I430 PolarHBondContact O-N 2.83Å; I430-Q432 VanDerWaalsContact C-N 3.33Å; I430-Q432 PolarHBondContact O-N 3.17Å; I430-Q433 PolarHBondContact O-N 2.82Å; I430-Q434 WeakPolarHBondContact O-CG 3.49Å; I430-Q434 PolarHBondContact O-N 3.16Å; I430-Q434 VanDerWaalsContact O-N 3.14Å
431	L	96.4	Very high	91.1	Very high	16 Å²	16	62.4 Å²	62.4	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-33.1	-177.1	-67.2	174.6	0	0	0	113.4	L409 F427 E428 V444 L445 V495	L409-L431 HydrophobicContact CD2-CD2 4.1Å; F427-L431 HydrophobicContact CD1-CD1 4.16Å; F427-L431 HydrophobicContact CD2-CD1 4.3Å; F427-L431 HydrophobicContact CD2-CG 4.3Å; F427-L431 HydrophobicContact CE1-CD1 3.73Å; F427-L431 HydrophobicContact CE2-CD1 3.88Å; F427-L431 HydrophobicContact CE2-CD2 4.14Å; F427-L431 HydrophobicContact CE2-CG 3.98Å; F427-L431 HydrophobicContact CG-CD1 4.44Å; F427-L431 HydrophobicContact CZ-CD1 3.59Å; F427-L431 HydrophobicContact CZ-CD2 4.38Å; F427-L431 HydrophobicContact CZ-CG 4.2Å; F427-L431 WeakPolarHBondContact O-CG 3.37Å; F427-L431 PolarHBondContact O-N 2.86Å; E428-L431 PolarHBondContact O-N 2.91Å; L431-V444 HydrophobicContact CD2-CB 3.69Å; L431-V444 HydrophobicContact CD2-CG1 3.6Å; L431-V444 HydrophobicContact CD2-CG2 4.26Å; L431-L445 HydrophobicContact CD1-CD1 4.17Å; L431-L445 HydrophobicContact CD1-CD2 4.29Å; L431-L445 HydrophobicContact CD1-CG 4.3Å; L431-L445 HydrophobicContact CD2-CD2 3.99Å; L431-L445 HydrophobicContact CD2-CG 4.19Å; L431-V495 HydrophobicContact CD1-CG2 3.47Å; L431-V495 VanDerWaalsContact CD1-CG2 3.47Å
432	Q	94.3	Very high	91	Very high	128 Å²	128	58.3 Å²	58.3	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-74.7	-42.8	176.9	-70.3	172.9	30.5	0	0	112	E428 I430 Q435	E428-Q432 WeakPolarHBondContact O-CB 3.49Å; E428-Q432 VanDerWaalsContact O-CG 3.24Å; E428-Q432 WeakPolarHBondContact O-CG 3.41Å; E428-Q432 PolarHBondContact O-N 3Å; I430-Q432 VanDerWaalsContact C-N 3.33Å; I430-Q432 PolarHBondContact O-N 3.17Å; Q432-Q435 PolarHBondContact O-NE2 2.82Å
433	Q	95.4	Very high	91	Very high	113 Å²	113	55 Å²	55	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-76.7	-30.4	-174.6	-73	-177.6	68	0	0	114	T381 S429 I430 Q435	T381-Q433 HydrophobicContact CG2-CB 4.18Å; T381-Q433 HydrophobicContact CG2-CG 4.47Å; S429-Q433 VanDerWaalsContact O-CB 3.26Å; S429-Q433 WeakPolarHBondContact O-CB 2.99Å; S429-Q433 WeakPolarHBondContact O-CG 3.5Å; S429-Q433 PolarHBondContact O-N 2.82Å; S429-Q433 VanDerWaalsContact O-N 3.11Å; S429-Q433 PolarHBondContact O-NE2 2.96Å; S429-Q433 PolarHBondContact OG-NE2 2.89Å; I430-Q433 PolarHBondContact O-N 2.82Å; Q433-Q435 PolarHBondContact O-N 2.86Å
434	Q	96.4	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.			trans	-83.1	109.6	-175.9	-63.6	-173.3	4.1	0	0	111.3	E379 T381 G394 S396 I430 V444	E379-Q434 HydrophobicContact CB-CB 4.09Å; E379-Q434 HydrophobicContact CB-CG 4.04Å; T381-Q434 VanDerWaalsContact N-NE2 3.18Å; T381-Q434 WeakPolarHBondContact OG1-CG 3.42Å; T381-Q434 PolarHBondContact OG1-NE2 2.85Å; G394-Q434 PolarHBondContact O-NE2 2.4Å; S396-Q434 VanDerWaalsContact CB-OE1 3.25Å; S396-Q434 PolarHBondContact OG-OE1 3.34Å; I430-Q434 WeakPolarHBondContact O-CG 3.49Å; I430-Q434 PolarHBondContact O-N 3.16Å; I430-Q434 VanDerWaalsContact O-N 3.14Å; Q434-V444 HydrophobicContact CB-CG2 3.87Å
435	Q	94.9	Very high	91	Very high	96 Å²	96	56.9 Å²	56.9	45%	0.449	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-131.9	131.6	-174.6	-60.3	-62.9	-33.4	0	0	109.9	Q432 Q433 S442	Q432-Q435 PolarHBondContact O-NE2 2.82Å; Q433-Q435 PolarHBondContact O-N 2.86Å; Q435-S442 CarbonylContact C-O 3.57Å; Q435-S442 WeakPolarHBondContact CA-O 3.37Å
436	F	93.7	Very high	90.9	Very high	13 Å²	13	52.1 Å²	52.1	6%	0.057	28%	0.281	C	S	.	.			trans	-111.2	141.9	-170.9	-57.6	-72.2	0	0	0	111.9	Q377 E379 S396 R398 S438 S442 V444 H447	Q377-F436 HydrophobicContact CB-CD1 4.19Å; E379-F436 HydrophobicContact CB-CD1 4.42Å; E379-F436 HydrophobicContact CB-CE1 3.68Å; E379-F436 HydrophobicContact CB-CZ 4.21Å; E379-F436 HydrophobicContact CG-CD1 3.89Å; E379-F436 HydrophobicContact CG-CE1 3.66Å; E379-F436 HydrophobicContact CG-CZ 4.48Å; S396-F436 WeakPolarHBondContact OG-CZ 3.4Å; R398-F436 HydrophobicContact CB-CE1 4.25Å; R398-F436 HydrophobicContact CB-CE2 4.37Å; R398-F436 HydrophobicContact CB-CZ 4.11Å; R398-F436 HydrophobicContact CG-CB 4.42Å; R398-F436 HydrophobicContact CG-CD1 3.36Å; R398-F436 HydrophobicContact CG-CD2 3.92Å; R398-F436 HydrophobicContact CG-CE1 3.34Å; R398-F436 HydrophobicContact CG-CE2 3.92Å; R398-F436 HydrophobicContact CG-CG 3.64Å; R398-F436 HydrophobicContact CG-CZ 3.62Å; F436-S438 VanDerWaalsContact C-N 3.32Å; F436-S438 PolarHBondContact O-N 2.88Å; F436-S442 VanDerWaalsContact CD2-O 3.26Å; F436-S442 WeakPolarHBondContact CD2-O 3.39Å; F436-S442 PolarHBondContact N-O 2.85Å; F436-V444 HydrophobicContact CE2-CG2 4.12Å; F436-H447 AromaticContact CD2-CE1 3.62Å; F436-H447 AromaticContact CE2-CE1 3.82Å
437	D	86.6	Confident	90.9	Very high	151 Å²	151	51.4 Å²	51.4	81%	0.807	28%	0.277	S	S	*	.			trans	-81.2	80.3	175.5	-170.9	10	0	0	0	109.6	Q377	Q377-D437 PolarHBondContact NE2-O 2.94Å; Q377-D437 VanDerWaalsContact OE1-N 3.13Å
438	S	76.2	Confident	90.8	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	28%	0.281	C	S	.	.			trans	-147.5	134.2	-167.1	142.9	0	0	0	0	112.2	R398 F436 G440 A441	R398-S438 PolarHBondContact NH2-OG 3.18Å; F436-S438 VanDerWaalsContact C-N 3.32Å; F436-S438 PolarHBondContact O-N 2.88Å; S438-G440 PolarHBondContact O-N 3.47Å; S438-A441 VanDerWaalsContact CB-O 3.28Å; S438-A441 WeakPolarHBondContact CB-O 3.43Å; S438-A441 PolarHBondContact OG-O 3.45Å
439	Q	68.4	Low	90.9	Very high	207 Å²	207	48.6 Å²	48.6	97%	0.967	27%	0.265	S	S	*	.	S	Bend	trans	-79	107.7	175.4	-63.7	-176.4	8.9	0	0	110.1
440	G	72.3	Confident	91	Very high	57 Å²	57	47.7 Å²	47.7	59%	0.588	26%	0.259	S	S	*	.	S	Bend	trans	104.2	-7.1	170.7	0	0	0	0	0	116.5	S438 R539	S438-G440 PolarHBondContact O-N 3.47Å; G440-R539 PolarHBondContact O-NH1 3.26Å
441	A	84.8	Confident	91.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	26%	0.259	C	S	.	.			trans	-151	108.2	165.6	0	0	0	0	0	109.8	S438 D446	S438-A441 VanDerWaalsContact CB-O 3.28Å; S438-A441 WeakPolarHBondContact CB-O 3.43Å; S438-A441 PolarHBondContact OG-O 3.45Å; A441-D446 HydrophobicContact CB-CB 3.9Å
442	S	90.4	Very high	91.2	Very high	57 Å²	57	47 Å²	47	40%	0.399	26%	0.255	S	S	.	.			trans	-102.6	-54.2	-172.9	24.7	0	0	0	0	112.1	Q435 F436 D446	Q435-S442 CarbonylContact C-O 3.57Å; Q435-S442 WeakPolarHBondContact CA-O 3.37Å; F436-S442 VanDerWaalsContact CD2-O 3.26Å; F436-S442 WeakPolarHBondContact CD2-O 3.39Å; F436-S442 PolarHBondContact N-O 2.85Å; S442-D446 WeakPolarHBondContact CA-OD2 3.45Å; S442-D446 WeakPolarHBondContact CB-OD2 3.31Å; S442-D446 PolarHBondContact N-OD2 3Å; S442-D446 PolarHBondContact OG-OD2 2.91Å
443	G	94.3	Very high	91.5	Very high	7 Å²	7	40.9 Å²	40.9	7%	0.072	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-85.2	168.9	171.4	0	0	0	0	0	112.3	L445 D446 H447	G443-L445 PolarHBondContact O-N 2.7Å; G443-D446 PolarHBondContact N-OD2 2.9Å; G443-D446 WeakPolarHBondContact O-CB 2.97Å; G443-D446 PolarHBondContact O-N 2.91Å; G443-H447 PolarHBondContact O-CE1 3.28Å; G443-H447 VanDerWaalsContact O-CE1 3.31Å; G443-H447 PolarHBondContact O-ND1 3.3Å
444	V	96.1	Very high	91.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54.6	-50.3	176.1	176.1	0	0	0	0	111.2	L409 L431 Q434 F436 D446 H447 V450	L409-V444 HydrophobicContact CD2-CG1 4.4Å; L431-V444 HydrophobicContact CD2-CB 3.69Å; L431-V444 HydrophobicContact CD2-CG1 3.6Å; L431-V444 HydrophobicContact CD2-CG2 4.26Å; Q434-V444 HydrophobicContact CB-CG2 3.87Å; F436-V444 HydrophobicContact CE2-CG2 4.12Å; V444-D446 PolarHBondContact O-N 2.89Å; V444-H447 PolarHBondContact O-N 2.94Å; V444-H447 PolarHBondContact O-ND1 2.98Å; V444-V450 HydrophobicContact CG1-CG1 3.81Å; V444-V450 HydrophobicContact CG1-CG2 4.45Å; V444-V450 WeakPolarHBondContact O-CG2 3.35Å
445	L	94.9	Very high	91.7	Very high	52 Å²	52	35.5 Å²	35.5	27%	0.272	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72.5	-7.3	-175.7	-60	-172.1	0	0	0	115.3	L431 G443 H447 F499 R537	L431-L445 HydrophobicContact CD1-CD1 4.17Å; L431-L445 HydrophobicContact CD1-CD2 4.29Å; L431-L445 HydrophobicContact CD1-CG 4.3Å; L431-L445 HydrophobicContact CD2-CD2 3.99Å; L431-L445 HydrophobicContact CD2-CG 4.19Å; G443-L445 PolarHBondContact O-N 2.7Å; L445-H447 VanDerWaalsContact C-N 3.29Å; L445-F499 HydrophobicContact CD2-CE2 3.87Å; L445-F499 HydrophobicContact CD2-CZ 3.81Å; L445-R537 PolarHBondContact O-NH1 2.91Å
446	D	93.8	Very high	91.9	Very high	61 Å²	61	31 Å²	31	33%	0.326	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-77.6	-14.5	177.2	-61.3	-11.8	0	0	0	112.7	A441 S442 G443 V444 R539	A441-D446 HydrophobicContact CB-CB 3.9Å; S442-D446 WeakPolarHBondContact CA-OD2 3.45Å; S442-D446 WeakPolarHBondContact CB-OD2 3.31Å; S442-D446 PolarHBondContact N-OD2 3Å; S442-D446 PolarHBondContact OG-OD2 2.91Å; G443-D446 PolarHBondContact N-OD2 2.9Å; G443-D446 WeakPolarHBondContact O-CB 2.97Å; G443-D446 PolarHBondContact O-N 2.91Å; V444-D446 PolarHBondContact O-N 2.89Å; D446-R539 WeakPolarHBondContact O-CD 3.48Å; D446-R539 PolarHBondContact O-NH1 2.88Å
447	H	95.4	Very high	92.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-74.2	146.9	-177.5	-66.5	72.1	0	0	0	111.4	R398 S405 C407 F436 G443 V444 L445 I449 V450	R398-H447 PolarHBondContact NE-NE2 3.33Å; R398-H447 PolarHBondContact NH2-NE2 3.22Å; S405-H447 WeakPolarHBondContact OG-CA 3.25Å; C407-H447 HydrophobicContact CB-CB 4.1Å; F436-H447 AromaticContact CD2-CE1 3.62Å; F436-H447 AromaticContact CE2-CE1 3.82Å; G443-H447 PolarHBondContact O-CE1 3.28Å; G443-H447 VanDerWaalsContact O-CE1 3.31Å; G443-H447 PolarHBondContact O-ND1 3.3Å; V444-H447 PolarHBondContact O-N 2.94Å; V444-H447 PolarHBondContact O-ND1 2.98Å; L445-H447 VanDerWaalsContact C-N 3.29Å; H447-I449 VanDerWaalsContact C-N 3.25Å; H447-I449 PolarHBondContact O-N 2.98Å; H447-V450 HydrophobicContact CB-CG2 4.09Å
448	D	94.9	Very high	92.6	Very high	15 Å²	15	23.3 Å²	23.3	8%	0.08	14%	0.14	C	C	.	.	S	Bend	trans	-58.8	-38	179.3	-63.9	-69.1	0	0	0	112.4	S405 L538 R539 I561	S405-D448 WeakPolarHBondContact CB-OD2 3.18Å; S405-D448 PolarHBondContact N-OD2 2.84Å; S405-D448 WeakPolarHBondContact O-CA 3.5Å; S405-D448 WeakPolarHBondContact O-CB 3.47Å; S405-D448 PolarHBondContact O-N 2.95Å; S405-D448 PolarHBondContact OG-N 3.3Å; S405-D448 PolarHBondContact OG-OD2 3.33Å; D448-L538 WeakPolarHBondContact O-CA 3.43Å; D448-R539 PolarHBondContact O-N 3.48Å; D448-R539 IonicContact OD1-CZ 3.79Å; D448-R539 IonicContact OD1-NE 3.26Å; D448-R539 PolarHBondContact OD1-NE 3.04Å; D448-R539 VanDerWaalsContact OD1-NE 3.1Å; D448-R539 IonicContact OD1-NH2 3.97Å; D448-R539 PolarHBondContact OD1-NH2 2.96Å; D448-R539 IonicContact OD2-NH2 2.72Å; D448-I561 HydrophobicContact CB-CD1 3.66Å
449	I	97.4	Very high	93.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.4	172.9	-41.4	176.9	0	0	0	109.1	S405 V406 C407 H447 F451 L538 I561 V563 L588 F590	S405-I449 PolarHBondContact O-N 3.02Å; V406-I449 WeakPolarHBondContact CA-O 3.48Å; V406-I449 HydrophobicContact CG1-CB 4.33Å; V406-I449 HydrophobicContact CG2-CB 4.3Å; V406-I449 HydrophobicContact CG2-CD1 4.19Å; V406-I449 HydrophobicContact CG2-CG1 4.4Å; C407-I449 PolarHBondContact N-O 3.33Å; H447-I449 VanDerWaalsContact C-N 3.25Å; H447-I449 PolarHBondContact O-N 2.98Å; I449-F451 HydrophobicContact CG2-CD2 4.04Å; I449-F451 HydrophobicContact CG2-CE2 3.53Å; I449-F451 HydrophobicContact CG2-CZ 3.95Å; I449-L538 HydrophobicContact CG1-CD2 3.97Å; I449-L538 HydrophobicContact CG2-CD2 4.47Å; I449-I561 HydrophobicContact CD1-CG2 3.8Å; I449-I561 HydrophobicContact CG1-CG2 4.07Å; I449-V563 HydrophobicContact CD1-CG2 4.14Å; I449-V563 HydrophobicContact CG2-CG2 4.21Å; I449-L588 HydrophobicContact CD1-CD1 3.99Å; I449-L588 HydrophobicContact CD1-CD2 4.32Å; I449-F590 HydrophobicContact CD1-CE1 4.12Å
450	V	98.4	Very high	94.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	170.1	-178.9	0	0	0	0	108.7	C407 V444 H447 F499 W536 R537	C407-V450 WeakPolarHBondContact O-CA 3.41Å; V444-V450 HydrophobicContact CG1-CG1 3.81Å; V444-V450 HydrophobicContact CG1-CG2 4.45Å; V444-V450 WeakPolarHBondContact O-CG2 3.35Å; H447-V450 HydrophobicContact CB-CG2 4.09Å; V450-F499 HydrophobicContact CG1-CE1 4.13Å; V450-F499 HydrophobicContact CG1-CZ 4.17Å; V450-W536 CarbonylContact O-C 3.57Å; V450-W536 VanDerWaalsContact O-CA 3.23Å; V450-W536 WeakPolarHBondContact O-CA 3.36Å; V450-R537 HydrophobicContact CB-CB 4.45Å; V450-R537 PolarHBondContact N-O 3.18Å; V450-R537 PolarHBondContact O-N 3.37Å
451	F	98.8	Very high	95.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.5	166	-70.4	-80.6	0	0	0	109.2	I281 V406 C407 F408 L409 I449 F453 L535 W536 V563 F586 L588	I281-F451 HydrophobicContact CD1-CB 3.75Å; I281-F451 HydrophobicContact CD1-CD1 3.31Å; I281-F451 HydrophobicContact CD1-CD2 4.03Å; I281-F451 HydrophobicContact CD1-CE1 3.85Å; I281-F451 HydrophobicContact CD1-CE2 4.47Å; I281-F451 HydrophobicContact CD1-CG 3.41Å; I281-F451 VanDerWaalsContact CD1-CG 3.41Å; I281-F451 HydrophobicContact CD1-CZ 4.4Å; V406-F451 HydrophobicContact CG1-CD2 4.34Å; V406-F451 HydrophobicContact CG1-CE2 4.46Å; C407-F451 PolarHBondContact O-N 2.77Å; F408-F451 HydrophobicContact CD1-CB 3.88Å; F408-F451 AromaticContact CD1-CD2 3.7Å; F408-F451 HydrophobicContact CD1-CD2 3.7Å; F408-F451 HydrophobicContact CD1-CG 4.1Å; F408-F451 HydrophobicContact CE1-CB 4.45Å; F408-F451 AromaticContact CE1-CD2 3.41Å; F408-F451 HydrophobicContact CE1-CD2 3.41Å; F408-F451 VanDerWaalsContact CE1-CD2 3.41Å; F408-F451 AromaticContact CE1-CE2 3.95Å; F408-F451 HydrophobicContact CE1-CE2 3.95Å; F408-F451 HydrophobicContact CE1-CG 4.18Å; F408-F451 HydrophobicContact CZ-CD2 4.41Å; L409-F451 PolarHBondContact N-O 2.94Å; I449-F451 HydrophobicContact CG2-CD2 4.04Å; I449-F451 HydrophobicContact CG2-CE2 3.53Å; I449-F451 HydrophobicContact CG2-CZ 3.95Å; F451-F453 HydrophobicContact CB-CD1 4.24Å; F451-F453 HydrophobicContact CB-CE1 4.28Å; F451-L535 WeakPolarHBondContact CA-O 3.49Å; F451-W536 HydrophobicContact CD1-CB 3.55Å; F451-W536 HydrophobicContact CE1-CB 3.53Å; F451-W536 HydrophobicContact CE1-CG 4.31Å; F451-W536 HydrophobicContact CG-CB 4.44Å; F451-W536 HydrophobicContact CZ-CB 4.4Å; F451-V563 HydrophobicContact CE1-CG1 4.46Å; F451-V563 HydrophobicContact CZ-CG1 4.24Å; F451-F586 HydrophobicContact CD1-CD2 4.43Å; F451-F586 HydrophobicContact CD1-CE2 4.02Å; F451-F586 HydrophobicContact CD1-CZ 4.19Å; F451-F586 HydrophobicContact CE1-CD1 4.01Å; F451-F586 AromaticContact CE1-CD2 3.68Å; F451-F586 HydrophobicContact CE1-CD2 3.68Å; F451-F586 AromaticContact CE1-CE1 3.98Å; F451-F586 HydrophobicContact CE1-CE1 3.98Å; F451-F586 AromaticContact CE1-CE2 3.63Å; F451-F586 HydrophobicContact CE1-CE2 3.63Å; F451-F586 AromaticContact CE1-CG 3.87Å; F451-F586 HydrophobicContact CE1-CG 3.87Å; F451-F586 AromaticContact CE1-CZ 3.78Å; F451-F586 HydrophobicContact CE1-CZ 3.78Å; F451-F586 HydrophobicContact CZ-CD2 4.25Å; F451-F586 HydrophobicContact CZ-CG 4.22Å; F451-L588 HydrophobicContact CE2-CD2 4.19Å; F451-L588 HydrophobicContact CZ-CD2 3.79Å
452	W	98.7	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	177.4	171.6	43	0	0	0	109.3	L409 L413 M424 F427 L456 L486 L496 F499 L535	L409-W452 HydrophobicContact CD2-CG 4.43Å; L409-W452 WeakPolarHBondContact O-CA 3.26Å; L413-W452 HydrophobicContact CD1-CZ2 4.05Å; M424-W452 HydrophobicContact CE-CH2 4.41Å; F427-W452 HydrophobicContact CB-CZ2 4.48Å; F427-W452 AromaticContact CD1-CH2 3.91Å; F427-W452 HydrophobicContact CD1-CH2 3.91Å; F427-W452 HydrophobicContact CD1-CZ2 4.04Å; F427-W452 HydrophobicContact CD1-CZ3 4.44Å; F427-W452 HydrophobicContact CD2-CD2 4.25Å; F427-W452 AromaticContact CD2-CE2 3.53Å; F427-W452 HydrophobicContact CD2-CH2 4.17Å; F427-W452 AromaticContact CD2-CZ2 3.48Å; F427-W452 HydrophobicContact CD2-CZ2 3.48Å; F427-W452 VanDerWaalsContact CD2-CZ2 3.48Å; F427-W452 AromaticContact CD2-NE1 3.75Å; F427-W452 HydrophobicContact CE1-CD2 4.47Å; F427-W452 HydrophobicContact CE1-CE3 4.18Å; F427-W452 AromaticContact CE1-CH2 3.78Å; F427-W452 HydrophobicContact CE1-CH2 3.78Å; F427-W452 HydrophobicContact CE1-CZ2 4.08Å; F427-W452 AromaticContact CE1-CZ3 3.85Å; F427-W452 HydrophobicContact CE1-CZ3 3.85Å; F427-W452 AromaticContact CE2-CD1 3.87Å; F427-W452 AromaticContact CE2-CD2 3.45Å; F427-W452 HydrophobicContact CE2-CD2 3.45Å; F427-W452 VanDerWaalsContact CE2-CD2 3.45Å; F427-W452 AromaticContact CE2-CE2 3.21Å; F427-W452 AromaticContact CE2-CE3 3.98Å; F427-W452 HydrophobicContact CE2-CE3 3.98Å; F427-W452 AromaticContact CE2-CG 3.85Å; F427-W452 HydrophobicContact CE2-CG 3.85Å; F427-W452 HydrophobicContact CE2-CH2 4.05Å; F427-W452 AromaticContact CE2-CZ2 3.54Å; F427-W452 HydrophobicContact CE2-CZ2 3.54Å; F427-W452 HydrophobicContact CE2-CZ3 4.26Å; F427-W452 AromaticContact CE2-NE1 3.5Å; F427-W452 HydrophobicContact CG-CH2 4.1Å; F427-W452 AromaticContact CG-CZ2 3.74Å; F427-W452 HydrophobicContact CG-CZ2 3.74Å; F427-W452 AromaticContact CZ-CD2 3.57Å; F427-W452 HydrophobicContact CZ-CD2 3.57Å; F427-W452 AromaticContact CZ-CE2 3.7Å; F427-W452 AromaticContact CZ-CE3 3.58Å; F427-W452 HydrophobicContact CZ-CE3 3.58Å; F427-W452 HydrophobicContact CZ-CG 4.22Å; F427-W452 AromaticContact CZ-CH2 3.83Å; F427-W452 HydrophobicContact CZ-CH2 3.83Å; F427-W452 AromaticContact CZ-CZ2 3.82Å; F427-W452 HydrophobicContact CZ-CZ2 3.82Å; F427-W452 AromaticContact CZ-CZ3 3.73Å; F427-W452 HydrophobicContact CZ-CZ3 3.73Å; W452-L456 HydrophobicContact CD2-CD1 4.23Å; W452-L456 HydrophobicContact CE3-CD1 4.47Å; W452-L456 HydrophobicContact CH2-CD1 4.01Å; W452-L456 HydrophobicContact CZ2-CD1 3.71Å; W452-L456 HydrophobicContact CZ2-CD2 3.93Å; W452-L456 HydrophobicContact CZ2-CG 4.39Å; W452-L456 HydrophobicContact CZ3-CD1 4.36Å; W452-L486 HydrophobicContact CH2-CD1 4.49Å; W452-L496 HydrophobicContact CH2-CD2 3.77Å; W452-L496 HydrophobicContact CZ3-CD2 3.51Å; W452-F499 HydrophobicContact CB-CD1 4.35Å; W452-F499 HydrophobicContact CB-CE1 3.69Å; W452-F499 HydrophobicContact CB-CZ 4.36Å; W452-F499 HydrophobicContact CE3-CD1 4.16Å; W452-F499 HydrophobicContact CE3-CE1 4.23Å; W452-F499 HydrophobicContact CE3-CG 4.43Å; W452-L535 HydrophobicContact CE3-CB 4.37Å; W452-L535 HydrophobicContact CE3-CD1 4.11Å; W452-L535 HydrophobicContact CE3-CD2 4.34Å; W452-L535 HydrophobicContact CZ3-CD1 4.38Å; W452-L535 HydrophobicContact CZ3-CD2 4.31Å; W452-L535 PolarHBondContact N-O 2.84Å; W452-L535 PolarHBondContact O-N 2.99Å
453	F	98.9	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	170.4	-172.3	53.3	-80	0	0	0	110.4	I281 I312 L361 F408 L409 N410 C411 F451 R533 I534	I281-F453 HydrophobicContact CG2-CB 4.5Å; I281-F453 HydrophobicContact CG2-CD1 3.96Å; I281-F453 HydrophobicContact CG2-CD2 4Å; I281-F453 HydrophobicContact CG2-CE1 4.17Å; I281-F453 HydrophobicContact CG2-CE2 4.18Å; I281-F453 HydrophobicContact CG2-CG 3.9Å; I281-F453 HydrophobicContact CG2-CZ 4.29Å; I312-F453 HydrophobicContact CG2-CE1 4.05Å; I312-F453 HydrophobicContact CG2-CE2 4.11Å; I312-F453 HydrophobicContact CG2-CZ 3.41Å; I312-F453 VanDerWaalsContact CG2-CZ 3.41Å; L361-F453 HydrophobicContact CD1-CE2 4.09Å; L361-F453 HydrophobicContact CD1-CZ 3.75Å; F408-F453 HydrophobicContact CB-CE1 3.97Å; F408-F453 HydrophobicContact CB-CZ 4.19Å; L409-F453 WeakPolarHBondContact O-CD1 3.44Å; L409-F453 PolarHBondContact O-N 2.88Å; N410-F453 CarbonylContact C-O 3.6Å; N410-F453 WeakPolarHBondContact CA-O 3.43Å; N410-F453 HydrophobicContact CB-CD2 4.21Å; N410-F453 HydrophobicContact CB-CE2 3.71Å; N410-F453 HydrophobicContact CB-CZ 4.11Å; C411-F453 PolarHBondContact N-O 3.29Å; F451-F453 HydrophobicContact CB-CD1 4.24Å; F451-F453 HydrophobicContact CB-CE1 4.28Å; F453-R533 WeakPolarHBondContact CA-O 3.4Å; F453-R533 VanDerWaalsContact CB-O 3.23Å; F453-R533 WeakPolarHBondContact CB-O 3.3Å; F453-I534 HydrophobicContact CB-CB 4.26Å; F453-I534 HydrophobicContact CB-CG1 3.97Å; F453-I534 HydrophobicContact CB-CG2 4.26Å
454	G	98.8	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	-168	175.6	0	0	0	0	0	113.4	T283 C411 L456 D532 R533	T283-G454 WeakPolarHBondContact OG1-CA 3.18Å; C411-G454 VanDerWaalsContact O-CA 3.29Å; C411-G454 WeakPolarHBondContact O-CA 2.45Å; G454-L456 VanDerWaalsContact C-N 3.29Å; G454-L456 PolarHBondContact O-N 2.66Å; G454-L456 VanDerWaalsContact O-N 3.15Å; G454-D532 WeakPolarHBondContact O-CA 3.45Å; G454-R533 PolarHBondContact N-O 2.62Å; G454-R533 VanDerWaalsContact N-O 3.14Å; G454-R533 PolarHBondContact O-N 2.94Å
455	D	98.8	Very high	96.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	85.6	158.5	-176.1	-3.3	0	0	0	108	N285 Q316 C411 H412 L413 N457 T531 H579	N285-D455 HydrophobicContact CB-CB 4.29Å; N285-D455 PolarHBondContact ND2-OD2 3.28Å; Q316-D455 HydrophobicContact CB-CB 4.34Å; Q316-D455 HydrophobicContact CG-CB 3.95Å; C411-D455 PolarHBondContact O-N 3.44Å; C411-D455 VanDerWaalsContact O-N 3.12Å; H412-D455 WeakPolarHBondContact CA-O 3.18Å; H412-D455 IonicContact CD2-OD2 2.83Å; H412-D455 IonicContact CE1-OD2 2.88Å; H412-D455 IonicContact NE2-OD2 3.31Å; H412-D455 PolarHBondContact NE2-OD2 3.07Å; L413-D455 PolarHBondContact N-O 2.96Å; D455-N457 PolarHBondContact O-N 3.44Å; D455-N457 VanDerWaalsContact OD1-CA 3.27Å; D455-N457 WeakPolarHBondContact OD1-CA 3.41Å; D455-N457 PolarHBondContact OD1-N 2.95Å; D455-N457 PolarHBondContact OD1-ND2 3.21Å; D455-N457 PolarHBondContact OD2-ND2 3.24Å; D455-T531 CarbonylContact C-O 3.56Å; D455-T531 WeakPolarHBondContact OD1-CB 3.37Å; D455-H579 IonicContact OD2-CE1 2.82Å; D455-H579 PolarHBondContact OD2-CE1 3.03Å; D455-H579 VanDerWaalsContact OD2-CE1 3.26Å; D455-H579 IonicContact OD2-NE2 3.19Å
456	L	98.4	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.			trans	-74.9	-5.3	176.5	-52.7	-167.8	0	0	0	111.8	C411 L413 R423 W452 G454 F458 L486 T531 R533 L535	C411-L456 HydrophobicContact CB-CD2 3.9Å; L413-L456 HydrophobicContact CD1-CB 4.22Å; L413-L456 HydrophobicContact CD1-CD2 4.06Å; L413-L456 HydrophobicContact CG-CD2 4.35Å; R423-L456 WeakPolarHBondContact CD-O 3.35Å; W452-L456 HydrophobicContact CD2-CD1 4.23Å; W452-L456 HydrophobicContact CE3-CD1 4.47Å; W452-L456 HydrophobicContact CH2-CD1 4.01Å; W452-L456 HydrophobicContact CZ2-CD1 3.71Å; W452-L456 HydrophobicContact CZ2-CD2 3.93Å; W452-L456 HydrophobicContact CZ2-CG 4.39Å; W452-L456 HydrophobicContact CZ3-CD1 4.36Å; G454-L456 VanDerWaalsContact C-N 3.29Å; G454-L456 PolarHBondContact O-N 2.66Å; G454-L456 VanDerWaalsContact O-N 3.15Å; L456-F458 HydrophobicContact CB-CD2 3.81Å; L456-F458 HydrophobicContact CB-CE2 4.27Å; L456-F458 WeakPolarHBondContact O-CD2 3.39Å; L456-F458 PolarHBondContact O-N 2.93Å; L456-L486 HydrophobicContact CD1-CD2 4.03Å; L456-T531 PolarHBondContact N-O 3.16Å; L456-R533 HydrophobicContact CB-CG 4.41Å; L456-R533 HydrophobicContact CD1-CB 3.75Å; L456-R533 HydrophobicContact CD1-CG 4.24Å; L456-R533 HydrophobicContact CG-CB 4.08Å; L456-R533 HydrophobicContact CG-CG 4.39Å; L456-L535 HydrophobicContact CD1-CD1 3.64Å
457	N	98.2	Very high	96.3	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	14%	0.136	C	C	.	.			trans	57.3	6.2	170.2	-107.8	-66	0	0	0	117.8	H412 L413 P414 A415 D455 R459 T531	H412-N457 PolarHBondContact CD2-ND2 2.88Å; H412-N457 PolarHBondContact NE2-ND2 3.07Å; L413-N457 PolarHBondContact O-ND2 3.19Å; P414-N457 WeakPolarHBondContact O-CB 3.49Å; A415-N457 VanDerWaalsContact CA-CG 3.49Å; A415-N457 WeakPolarHBondContact CA-OD1 3.38Å; A415-N457 VanDerWaalsContact CB-OD1 3.31Å; A415-N457 WeakPolarHBondContact CB-OD1 3.21Å; D455-N457 PolarHBondContact O-N 3.44Å; D455-N457 VanDerWaalsContact OD1-CA 3.27Å; D455-N457 WeakPolarHBondContact OD1-CA 3.41Å; D455-N457 PolarHBondContact OD1-N 2.95Å; D455-N457 PolarHBondContact OD1-ND2 3.21Å; D455-N457 PolarHBondContact OD2-ND2 3.24Å; N457-R459 WeakPolarHBondContact O-CD 3.21Å; N457-R459 PolarHBondContact O-NE 3.02Å; N457-R459 PolarHBondContact OD1-NH2 2.94Å; N457-T531 PolarHBondContact N-O 3.27Å
458	F	97.3	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-59.6	151.5	173.1	-76.3	-79.6	0	0	0	112.9	M424 L456 Q485 L486	M424-F458 HydrophobicContact CE-CE1 4.41Å; M424-F458 HydrophobicContact CE-CE2 3.99Å; M424-F458 HydrophobicContact CE-CZ 3.41Å; M424-F458 VanDerWaalsContact CE-CZ 3.41Å; M424-F458 HydrophobicContact SD-CZ 4.07Å; L456-F458 HydrophobicContact CB-CD2 3.81Å; L456-F458 HydrophobicContact CB-CE2 4.27Å; L456-F458 WeakPolarHBondContact O-CD2 3.39Å; L456-F458 PolarHBondContact O-N 2.93Å; F458-Q485 HydrophobicContact CB-CB 4.43Å; F458-Q485 HydrophobicContact CD1-CB 3.6Å; F458-Q485 HydrophobicContact CE1-CB 4.32Å; F458-Q485 HydrophobicContact CG-CB 4.49Å; F458-L486 HydrophobicContact CB-CB 4.04Å; F458-L486 HydrophobicContact CD1-CB 3.99Å; F458-L486 HydrophobicContact CD2-CB 3.66Å; F458-L486 HydrophobicContact CD2-CD1 4.3Å; F458-L486 HydrophobicContact CD2-CD2 4.02Å; F458-L486 HydrophobicContact CD2-CG 4.2Å; F458-L486 HydrophobicContact CE1-CB 4.19Å; F458-L486 HydrophobicContact CE2-CB 3.91Å; F458-L486 HydrophobicContact CE2-CD1 3.69Å; F458-L486 HydrophobicContact CE2-CD2 4.11Å; F458-L486 HydrophobicContact CE2-CG 4.1Å; F458-L486 HydrophobicContact CG-CB 3.66Å; F458-L486 HydrophobicContact CZ-CB 4.12Å; F458-L486 HydrophobicContact CZ-CD1 3.81Å; F458-L486 HydrophobicContact CZ-CG 4.46Å
459	R	96.9	Very high	96.4	Very high	13 Å²	13	29.2 Å²	29.2	5%	0.049	14%	0.143	C	C	.	.			trans	-127.4	156.9	-171.5	-51.7	-58.9	170.5	106.2	-13.3	112.1	I417 N457 E461 Q485 A529	I417-R459 HydrophobicContact CB-CB 4.18Å; I417-R459 HydrophobicContact CB-CG 3.98Å; I417-R459 HydrophobicContact CD1-CB 4.28Å; I417-R459 HydrophobicContact CG1-CB 3.99Å; I417-R459 HydrophobicContact CG1-CG 4.33Å; N457-R459 WeakPolarHBondContact O-CD 3.21Å; N457-R459 PolarHBondContact O-NE 3.02Å; N457-R459 PolarHBondContact OD1-NH2 2.94Å; R459-E461 PolarHBondContact O-N 2.8Å; R459-Q485 VanDerWaalsContact N-OE1 3.12Å; R459-Q485 WeakPolarHBondContact O-CB 3.31Å; R459-Q485 WeakPolarHBondContact O-CG 3.32Å; R459-Q485 PolarHBondContact O-N 3.05Å; R459-A529 HydrophobicContact CB-CB 4.39Å
460	I	96.5	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-71.3	124.7	162.8	-57.4	170.3	0	0	0	107.2	M463 V468 L480 N483 P508 K527 W530	I460-M463 HydrophobicContact CG2-CB 4.27Å; I460-M463 HydrophobicContact CG2-SD 4.44Å; I460-V468 HydrophobicContact CD1-CG1 4.08Å; I460-V468 HydrophobicContact CD1-CG2 4.37Å; I460-V468 HydrophobicContact CG2-CG2 3.96Å; I460-L480 HydrophobicContact CD1-CB 3.93Å; I460-L480 HydrophobicContact CD1-CD1 4.21Å; I460-L480 HydrophobicContact CD1-CD2 4.17Å; I460-L480 HydrophobicContact CD1-CG 4.33Å; I460-N483 CarbonylContact C-O 3.57Å; I460-N483 WeakPolarHBondContact CA-O 3.31Å; I460-N483 HydrophobicContact CG2-CB 4.08Å; I460-P508 HydrophobicContact CD1-CG 4.3Å; I460-K527 WeakPolarHBondContact O-CE 3.29Å; I460-K527 PolarHBondContact O-NZ 2.97Å; I460-W530 HydrophobicContact CD1-CE3 4.39Å; I460-W530 HydrophobicContact CD1-CZ3 4.38Å; I460-W530 HydrophobicContact CG1-CE3 4.5Å
461	E	91.4	Very high	96.3	Very high	76 Å²	76	32.3 Å²	32.3	36%	0.355	17%	0.166	S	C	.	.			trans	-97.4	-73.4	-172.4	-168.5	172.6	124.5	0	0	113.1	I417 R459 M463 N483 Q485 K527	I417-E461 HydrophobicContact CD1-CG 4.49Å; R459-E461 PolarHBondContact O-N 2.8Å; E461-M463 PolarHBondContact O-N 3.47Å; E461-N483 PolarHBondContact N-O 2.86Å; E461-Q485 HydrophobicContact CB-CG 3.98Å; E461-Q485 WeakPolarHBondContact OE2-CG 3.26Å; E461-Q485 PolarHBondContact OE2-NE2 2.88Å; E461-K527 PolarHBondContact O-NZ 2.84Å
462	K	90.3	Very high	96.2	Very high	135 Å²	135	33.2 Å²	33.2	59%	0.587	17%	0.17	S	C	*	.	S	Bend	trans	-68.2	-5.4	-163	-62.8	159.6	177.2	160.9	0	116	N483 M488	K462-N483 HydrophobicContact CB-CB 4.43Å; K462-N483 WeakPolarHBondContact CB-OD1 3.43Å; K462-N483 WeakPolarHBondContact CD-OD1 3.43Å; K462-M488 HydrophobicContact CD-CE 4.46Å; K462-M488 HydrophobicContact CD-SD 3.88Å; K462-M488 WeakPolarHBondContact CE-SD 3.46Å; K462-M488 HydrophobicContact CG-SD 4.5Å; K462-M488 PolarHBondContact NZ-SD 2.61Å
463	M	93.9	Very high	96.1	Very high	28 Å²	28	40 Å²	40	14%	0.138	20%	0.202	C	C	.	.	S	Bend	trans	-104.2	143.3	179.7	-63.5	179.1	69.9	0	0	112	I460 E461 A467 V468 A471 L480 N483 K527	I460-M463 HydrophobicContact CG2-CB 4.27Å; I460-M463 HydrophobicContact CG2-SD 4.44Å; E461-M463 PolarHBondContact O-N 3.47Å; M463-A467 HydrophobicContact CB-CB 4.46Å; M463-A467 HydrophobicContact CE-CB 3.91Å; M463-V468 HydrophobicContact CB-CG2 3.69Å; M463-V468 HydrophobicContact CE-CG2 4.47Å; M463-V468 HydrophobicContact SD-CG2 4.46Å; M463-A471 HydrophobicContact CE-CB 4.29Å; M463-L480 HydrophobicContact CE-CD2 3.83Å; M463-L480 HydrophobicContact SD-CD2 3.74Å; M463-N483 HydrophobicContact CG-CB 4.06Å; M463-N483 HydrophobicContact SD-CB 4.16Å; M463-K527 VanDerWaalsContact O-CD 3.29Å; M463-K527 WeakPolarHBondContact O-CD 3.42Å; M463-K527 WeakPolarHBondContact O-CE 3.44Å; M463-K527 PolarHBondContact O-NZ 3.28Å
464	D	93.9	Very high	96	Very high	94 Å²	94	44.3 Å²	44.3	50%	0.503	23%	0.225	S	C	.	.			trans	-74.7	169.4	170.8	78.2	80.3	0	0	0	112.4	Q466 A467 V468	D464-Q466 PolarHBondContact O-N 3.45Å; D464-Q466 WeakPolarHBondContact OD1-CA 3.47Å; D464-Q466 WeakPolarHBondContact OD1-CB 3.14Å; D464-Q466 PolarHBondContact OD1-N 2.84Å; D464-A467 PolarHBondContact O-N 3.48Å; D464-A467 PolarHBondContact OD1-N 2.97Å; D464-A467 VanDerWaalsContact OD2-CB 3.32Å; D464-A467 WeakPolarHBondContact OD2-CB 3.35Å; D464-V468 WeakPolarHBondContact O-CG2 3.17Å; D464-V468 PolarHBondContact O-N 3.02Å
465	I	94.1	Very high	95.9	Very high	43 Å²	43	49.4 Å²	49.4	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-29.9	-175.1	-169.8	165.3	0	0	0	114.5	K469 K525 K527	I465-K469 WeakPolarHBondContact O-CB 3.14Å; I465-K469 WeakPolarHBondContact O-CG 3.35Å; I465-K469 PolarHBondContact O-N 2.89Å; I465-K525 HydrophobicContact CD1-CB 4.27Å; I465-K525 WeakPolarHBondContact CD1-O 3.45Å; I465-K527 HydrophobicContact CB-CB 4.45Å; I465-K527 HydrophobicContact CB-CD 4.49Å; I465-K527 HydrophobicContact CB-CG 4.21Å; I465-K527 HydrophobicContact CD1-CB 4.38Å; I465-K527 HydrophobicContact CG1-CB 4.36Å; I465-K527 HydrophobicContact CG1-CG 4.28Å
466	Q	94.5	Very high	95.8	Very high	134 Å²	134	54.2 Å²	54.2	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-76.4	-41.9	176.5	-52.4	-58.3	-20.7	0	0	110.2	D464 V468 K469 S470	D464-Q466 PolarHBondContact O-N 3.45Å; D464-Q466 WeakPolarHBondContact OD1-CA 3.47Å; D464-Q466 WeakPolarHBondContact OD1-CB 3.14Å; D464-Q466 PolarHBondContact OD1-N 2.84Å; Q466-V468 VanDerWaalsContact C-N 3.31Å; Q466-V468 PolarHBondContact O-N 3.03Å; Q466-K469 PolarHBondContact O-N 2.82Å; Q466-S470 VanDerWaalsContact O-CB 3.27Å; Q466-S470 WeakPolarHBondContact O-CB 3.38Å; Q466-S470 PolarHBondContact O-N 3.47Å
467	A	96.4	Very high	95.7	Very high	34 Å²	34	55.7 Å²	55.7	28%	0.281	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-42.3	171.6	0	0	0	0	0	111.8	M463 D464 A471	M463-A467 HydrophobicContact CB-CB 4.46Å; M463-A467 HydrophobicContact CE-CB 3.91Å; D464-A467 PolarHBondContact O-N 3.48Å; D464-A467 PolarHBondContact OD1-N 2.97Å; D464-A467 VanDerWaalsContact OD2-CB 3.32Å; D464-A467 WeakPolarHBondContact OD2-CB 3.35Å; A467-A471 VanDerWaalsContact O-CB 3.27Å; A467-A471 WeakPolarHBondContact O-CB 3.46Å; A467-A471 PolarHBondContact O-N 3Å
468	V	97	Very high	95.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-49.6	174.8	170.9	0	0	0	0	111.8	I460 M463 D464 Q466 S470 A471 I472 L480 K527 P528	I460-V468 HydrophobicContact CD1-CG1 4.08Å; I460-V468 HydrophobicContact CD1-CG2 4.37Å; I460-V468 HydrophobicContact CG2-CG2 3.96Å; M463-V468 HydrophobicContact CB-CG2 3.69Å; M463-V468 HydrophobicContact CE-CG2 4.47Å; M463-V468 HydrophobicContact SD-CG2 4.46Å; D464-V468 WeakPolarHBondContact O-CG2 3.17Å; D464-V468 PolarHBondContact O-N 3.02Å; Q466-V468 VanDerWaalsContact C-N 3.31Å; Q466-V468 PolarHBondContact O-N 3.03Å; V468-S470 PolarHBondContact O-N 3.45Å; V468-A471 PolarHBondContact O-N 2.85Å; V468-I472 HydrophobicContact CG1-CD1 3.87Å; V468-I472 VanDerWaalsContact O-CG1 3.31Å; V468-I472 WeakPolarHBondContact O-CG1 3.37Å; V468-I472 PolarHBondContact O-N 2.99Å; V468-L480 HydrophobicContact CB-CD2 4.33Å; V468-L480 HydrophobicContact CG1-CD2 4.21Å; V468-L480 HydrophobicContact CG2-CD2 4.1Å; V468-K527 HydrophobicContact CB-CG 4.25Å; V468-K527 HydrophobicContact CG1-CG 4.4Å; V468-K527 HydrophobicContact CG2-CD 3.95Å; V468-K527 HydrophobicContact CG2-CG 4.08Å; V468-P528 HydrophobicContact CG1-CB 3.91Å; V468-P528 HydrophobicContact CG1-CG 3.98Å
469	K	95.8	Very high	95.3	Very high	52 Å²	52	63.5 Å²	63.5	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-45.2	179.2	-75.3	-169.1	174.7	-160	0	112	I465 Q466 A471 I472 E473 Y519 P528	I465-K469 WeakPolarHBondContact O-CB 3.14Å; I465-K469 WeakPolarHBondContact O-CG 3.35Å; I465-K469 PolarHBondContact O-N 2.89Å; Q466-K469 PolarHBondContact O-N 2.82Å; K469-A471 VanDerWaalsContact C-N 3.34Å; K469-A471 PolarHBondContact O-N 2.9Å; K469-I472 PolarHBondContact O-N 2.89Å; K469-I472 VanDerWaalsContact O-N 3.14Å; K469-E473 VanDerWaalsContact O-CG 3.3Å; K469-E473 WeakPolarHBondContact O-CG 3.47Å; K469-E473 PolarHBondContact O-N 3.43Å; K469-Y519 PolarHBondContact NZ-O 3.01Å; K469-P528 HydrophobicContact CG-CG 4.48Å
470	S	97.1	Very high	95.2	Very high	58 Å²	58	62.9 Å²	62.9	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-39.2	176.2	-172.6	0	0	0	0	112.8	Q466 V468 E473 N474	Q466-S470 VanDerWaalsContact O-CB 3.27Å; Q466-S470 WeakPolarHBondContact O-CB 3.38Å; Q466-S470 PolarHBondContact O-N 3.47Å; V468-S470 PolarHBondContact O-N 3.45Å; S470-E473 PolarHBondContact O-N 2.88Å; S470-N474 WeakPolarHBondContact O-CB 3.29Å; S470-N474 PolarHBondContact O-N 2.69Å; S470-N474 VanDerWaalsContact O-N 3.08Å; S470-N474 PolarHBondContact O-ND2 3.1Å
471	A	97.2	Very high	95.1	Very high	8 Å²	8	65.2 Å²	65.2	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-37.8	174.8	0	0	0	0	0	112.4	M463 A467 V468 K469 N474 N475 K476 L480	M463-A471 HydrophobicContact CE-CB 4.29Å; A467-A471 VanDerWaalsContact O-CB 3.27Å; A467-A471 WeakPolarHBondContact O-CB 3.46Å; A467-A471 PolarHBondContact O-N 3Å; V468-A471 PolarHBondContact O-N 2.85Å; K469-A471 VanDerWaalsContact C-N 3.34Å; K469-A471 PolarHBondContact O-N 2.9Å; A471-N474 CarbonylContact O-C 3.57Å; A471-N474 PolarHBondContact O-N 3.01Å; A471-N475 PolarHBondContact O-N 2.68Å; A471-N475 VanDerWaalsContact O-N 3.15Å; A471-K476 HydrophobicContact CB-CB 4.21Å; A471-K476 PolarHBondContact O-N 3.49Å; A471-L480 HydrophobicContact CB-CD2 3.6Å; A471-L480 HydrophobicContact CB-CG 4.08Å
472	I	96.8	Very high	95.1	Very high	19 Å²	19	67.3 Å²	67.3	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-48.9	173.6	-63	163.9	0	0	0	110.8	V468 K469 N474 N475 Y477 L480 P507 P508 Y519 P528	V468-I472 HydrophobicContact CG1-CD1 3.87Å; V468-I472 VanDerWaalsContact O-CG1 3.31Å; V468-I472 WeakPolarHBondContact O-CG1 3.37Å; V468-I472 PolarHBondContact O-N 2.99Å; K469-I472 PolarHBondContact O-N 2.89Å; K469-I472 VanDerWaalsContact O-N 3.14Å; I472-N474 PolarHBondContact O-N 2.61Å; I472-N474 VanDerWaalsContact O-N 3.15Å; I472-N475 PolarHBondContact O-N 3.31Å; I472-Y477 HydrophobicContact CG2-CE1 4.41Å; I472-L480 HydrophobicContact CG1-CD1 3.68Å; I472-P507 HydrophobicContact CG2-CB 4.14Å; I472-P508 HydrophobicContact CD1-CB 4.48Å; I472-P508 HydrophobicContact CD1-CG 3.81Å; I472-P508 HydrophobicContact CG1-CG 4.11Å; I472-Y519 HydrophobicContact CD1-CE2 3.98Å; I472-Y519 HydrophobicContact CG2-CE2 4.06Å; I472-P528 HydrophobicContact CD1-CB 3.72Å; I472-P528 HydrophobicContact CD1-CG 3.86Å
473	E	96.5	Very high	95.3	Very high	142 Å²	142	62.4 Å²	62.4	66%	0.664	32%	0.321	S	S	*	.	H	α-helix	trans	-56.2	-30.6	177.4	-71.2	158.8	-167.3	0	0	112.6	K469 S470	K469-E473 VanDerWaalsContact O-CG 3.3Å; K469-E473 WeakPolarHBondContact O-CG 3.47Å; K469-E473 PolarHBondContact O-N 3.43Å; S470-E473 PolarHBondContact O-N 2.88Å
474	N	97.2	Very high	95.4	Very high	90 Å²	90	61 Å²	61	48%	0.481	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9	177.8	-73	-104.3	0	0	0	113.6	S470 A471 I472 K476	S470-N474 WeakPolarHBondContact O-CB 3.29Å; S470-N474 PolarHBondContact O-N 2.69Å; S470-N474 VanDerWaalsContact O-N 3.08Å; S470-N474 PolarHBondContact O-ND2 3.1Å; A471-N474 CarbonylContact O-C 3.57Å; A471-N474 PolarHBondContact O-N 3.01Å; I472-N474 PolarHBondContact O-N 2.61Å; I472-N474 VanDerWaalsContact O-N 3.15Å; N474-K476 HydrophobicContact CB-CD 3.98Å; N474-K476 HydrophobicContact CB-CG 3.94Å; N474-K476 PolarHBondContact O-N 2.88Å
475	N	95.9	Very high	95.5	Very high	108 Å²	108	56.6 Å²	56.6	58%	0.578	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	26.1	-176.4	-62.6	-80.1	0	0	0	115.2	A471 I472 Y477	A471-N475 PolarHBondContact O-N 2.68Å; A471-N475 VanDerWaalsContact O-N 3.15Å; I472-N475 PolarHBondContact O-N 3.31Å; N475-Y477 HydrophobicContact CB-CE2 4.1Å; N475-Y477 PolarHBondContact O-N 2.84Å; N475-Y477 PolarHBondContact OD1-OH 2.94Å
476	K	96.3	Very high	95.6	Very high	102 Å²	102	54.6 Å²	54.6	44%	0.443	28%	0.28	S	S	.	.			trans	-82.7	52.3	-177.1	-64	179.5	178.7	173.1	0	112.3	A471 N474 S478 M479	A471-K476 HydrophobicContact CB-CB 4.21Å; A471-K476 PolarHBondContact O-N 3.49Å; N474-K476 HydrophobicContact CB-CD 3.98Å; N474-K476 HydrophobicContact CB-CG 3.94Å; N474-K476 PolarHBondContact O-N 2.88Å; K476-S478 VanDerWaalsContact C-N 3.28Å; K476-S478 PolarHBondContact O-N 3.17Å; K476-M479 HydrophobicContact CB-CG 4.43Å; K476-M479 HydrophobicContact CB-SD 4.15Å; K476-M479 HydrophobicContact CD-SD 3.91Å; K476-M479 PolarHBondContact O-N 2.99Å
477	Y	95.8	Very high	95.6	Very high	31 Å²	31	50.2 Å²	50.2	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-28.6	-173.7	-54.4	-47.9	0	0	0	113.7	I472 N475 M479 L480 W481 P507 W530	I472-Y477 HydrophobicContact CG2-CE1 4.41Å; N475-Y477 HydrophobicContact CB-CE2 4.1Å; N475-Y477 PolarHBondContact O-N 2.84Å; N475-Y477 PolarHBondContact OD1-OH 2.94Å; Y477-M479 PolarHBondContact O-N 2.93Å; Y477-L480 HydrophobicContact CD1-CD1 4.24Å; Y477-L480 WeakPolarHBondContact O-CB 3.04Å; Y477-L480 PolarHBondContact O-N 2.78Å; Y477-W481 WeakPolarHBondContact O-CB 3.49Å; Y477-W481 PolarHBondContact O-N 3.41Å; Y477-P507 HydrophobicContact CE1-CB 3.78Å; Y477-W530 HydrophobicContact CD1-CZ2 4.16Å; Y477-W530 HydrophobicContact CG-CZ2 4.34Å
478	S	93.4	Very high	95.3	Very high	76 Å²	76	51 Å²	51	53%	0.531	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-44.8	173.7	50.1	0	0	0	0	112.9	K476 L480 W481 E482	K476-S478 VanDerWaalsContact C-N 3.28Å; K476-S478 PolarHBondContact O-N 3.17Å; S478-L480 VanDerWaalsContact C-N 3.26Å; S478-L480 PolarHBondContact O-N 3.31Å; S478-W481 WeakPolarHBondContact O-CB 3.42Å; S478-W481 PolarHBondContact O-N 2.92Å; S478-W481 VanDerWaalsContact O-N 3.13Å; S478-E482 WeakPolarHBondContact O-CG 3.04Å; S478-E482 PolarHBondContact O-N 2.78Å
479	M	93.6	Very high	95.1	Very high	90 Å²	90	51.5 Å²	51.5	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-33.2	177.3	-63.6	-178.1	67.7	0	0	112.2	K476 Y477 N483	K476-M479 HydrophobicContact CB-CG 4.43Å; K476-M479 HydrophobicContact CB-SD 4.15Å; K476-M479 HydrophobicContact CD-SD 3.91Å; K476-M479 PolarHBondContact O-N 2.99Å; Y477-M479 PolarHBondContact O-N 2.93Å; M479-N483 PolarHBondContact O-ND2 2.96Å
480	L	96.1	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-39.2	175.1	-59.5	-175.6	0	0	0	111.4	I460 M463 V468 A471 I472 Y477 S478 N483 D484 P508 W530	I460-L480 HydrophobicContact CD1-CB 3.93Å; I460-L480 HydrophobicContact CD1-CD1 4.21Å; I460-L480 HydrophobicContact CD1-CD2 4.17Å; I460-L480 HydrophobicContact CD1-CG 4.33Å; M463-L480 HydrophobicContact CE-CD2 3.83Å; M463-L480 HydrophobicContact SD-CD2 3.74Å; V468-L480 HydrophobicContact CB-CD2 4.33Å; V468-L480 HydrophobicContact CG1-CD2 4.21Å; V468-L480 HydrophobicContact CG2-CD2 4.1Å; A471-L480 HydrophobicContact CB-CD2 3.6Å; A471-L480 HydrophobicContact CB-CG 4.08Å; I472-L480 HydrophobicContact CG1-CD1 3.68Å; Y477-L480 HydrophobicContact CD1-CD1 4.24Å; Y477-L480 WeakPolarHBondContact O-CB 3.04Å; Y477-L480 PolarHBondContact O-N 2.78Å; S478-L480 VanDerWaalsContact C-N 3.26Å; S478-L480 PolarHBondContact O-N 3.31Å; L480-N483 CarbonylContact O-C 3.49Å; L480-N483 WeakPolarHBondContact O-CA 3.34Å; L480-N483 PolarHBondContact O-N 2.94Å; L480-N483 VanDerWaalsContact O-N 3.12Å; L480-D484 PolarHBondContact O-N 2.81Å; L480-P508 HydrophobicContact CD1-CG 4.05Å; L480-W530 HydrophobicContact CB-CH2 3.54Å; L480-W530 HydrophobicContact CB-CZ3 3.49Å; L480-W530 VanDerWaalsContact CB-CZ3 3.49Å; L480-W530 HydrophobicContact CD1-CH2 4.04Å; L480-W530 HydrophobicContact CD1-CZ3 4.48Å; L480-W530 HydrophobicContact CG-CH2 4.39Å
481	W	93.7	Very high	94	Very high	50 Å²	50	56 Å²	56	19%	0.189	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-39.1	-178.7	175.4	-95.1	0	0	0	113.1	Y477 S478 N483 D484 N487 E501 L504 W530 R533	Y477-W481 WeakPolarHBondContact O-CB 3.49Å; Y477-W481 PolarHBondContact O-N 3.41Å; S478-W481 WeakPolarHBondContact O-CB 3.42Å; S478-W481 PolarHBondContact O-N 2.92Å; S478-W481 VanDerWaalsContact O-N 3.13Å; W481-N483 PolarHBondContact O-N 3.12Å; W481-D484 WeakPolarHBondContact O-CB 3.49Å; W481-D484 PolarHBondContact O-N 2.86Å; W481-D484 VanDerWaalsContact O-N 3.1Å; W481-N487 HydrophobicContact CD2-CB 4.2Å; W481-N487 VanDerWaalsContact CE2-OD1 3.24Å; W481-N487 HydrophobicContact CZ2-CB 4.33Å; W481-N487 WeakPolarHBondContact CZ2-OD1 3.29Å; W481-N487 VanDerWaalsContact NE1-CG 3.3Å; W481-N487 PolarHBondContact NE1-OD1 3.17Å; W481-N487 WeakPolarHBondContact O-CB 3.16Å; W481-N487 PolarHBondContact O-ND2 2.93Å; W481-E501 HydrophobicContact CH2-CB 4.43Å; W481-E501 HydrophobicContact CH2-CG 4.11Å; W481-E501 WeakPolarHBondContact CH2-OE2 3.32Å; W481-L504 HydrophobicContact CE3-CB 4.16Å; W481-L504 HydrophobicContact CE3-CD1 3.61Å; W481-L504 HydrophobicContact CE3-CG 3.78Å; W481-L504 HydrophobicContact CH2-CG 4.34Å; W481-L504 HydrophobicContact CZ3-CB 4.28Å; W481-L504 HydrophobicContact CZ3-CD1 3.4Å; W481-L504 HydrophobicContact CZ3-CG 3.44Å; W481-L504 VanDerWaalsContact CZ3-CG 3.44Å; W481-W530 HydrophobicContact CB-CZ3 4.43Å; W481-R533 VanDerWaalsContact CZ3-NH2 3.26Å
482	E	92.6	Very high	93.6	Very high	120 Å²	120	59 Å²	59	56%	0.561	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.8	170.2	-71	162.6	-159.1	0	0	113.2	S478	S478-E482 WeakPolarHBondContact O-CG 3.04Å; S478-E482 PolarHBondContact O-N 2.78Å
483	N	94.6	Very high	93.4	Very high	31 Å²	31	61.6 Å²	61.6	17%	0.166	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	9.4	-178.7	-63.3	-77.9	0	0	0	112.8	I460 E461 K462 M463 M479 L480 W481	I460-N483 CarbonylContact C-O 3.57Å; I460-N483 WeakPolarHBondContact CA-O 3.31Å; I460-N483 HydrophobicContact CG2-CB 4.08Å; E461-N483 PolarHBondContact N-O 2.86Å; K462-N483 HydrophobicContact CB-CB 4.43Å; K462-N483 WeakPolarHBondContact CB-OD1 3.43Å; K462-N483 WeakPolarHBondContact CD-OD1 3.43Å; M463-N483 HydrophobicContact CG-CB 4.06Å; M463-N483 HydrophobicContact SD-CB 4.16Å; M479-N483 PolarHBondContact O-ND2 2.96Å; L480-N483 CarbonylContact O-C 3.49Å; L480-N483 WeakPolarHBondContact O-CA 3.34Å; L480-N483 PolarHBondContact O-N 2.94Å; L480-N483 VanDerWaalsContact O-N 3.12Å; W481-N483 PolarHBondContact O-N 3.12Å
484	D	95.8	Very high	93.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-79	130.5	172.3	176.1	66.8	0	0	0	110.5	L480 W481 L486 N487 M488 R533	L480-D484 PolarHBondContact O-N 2.81Å; W481-D484 WeakPolarHBondContact O-CB 3.49Å; W481-D484 PolarHBondContact O-N 2.86Å; W481-D484 VanDerWaalsContact O-N 3.1Å; D484-L486 PolarHBondContact O-N 3.27Å; D484-L486 PolarHBondContact OD2-N 2.78Å; D484-N487 HydrophobicContact CB-CB 4.18Å; D484-N487 PolarHBondContact O-N 3.1Å; D484-N487 PolarHBondContact OD2-N 3.01Å; D484-N487 VanDerWaalsContact OD2-N 3.14Å; D484-M488 WeakPolarHBondContact O-CG 3.47Å; D484-M488 PolarHBondContact O-N 3.12Å; D484-R533 VanDerWaalsContact CG-NH1 3.26Å; D484-R533 IonicContact OD1-NH1 2.61Å; D484-R533 PolarHBondContact OD1-NH1 2.96Å; D484-R533 IonicContact OD2-CZ 2.76Å; D484-R533 VanDerWaalsContact OD2-CZ 3.31Å; D484-R533 IonicContact OD2-NH1 3.77Å; D484-R533 PolarHBondContact OD2-NH1 3.03Å; D484-R533 IonicContact OD2-NH2 3.66Å; D484-R533 PolarHBondContact OD2-NH2 3.19Å
485	Q	96.3	Very high	92.8	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-46.1	-177.9	-78.2	171.6	-24.5	0	0	112.4	I417 F458 R459 E461 N487 M488 T489	I417-Q485 PolarHBondContact O-NE2 3.18Å; F458-Q485 HydrophobicContact CB-CB 4.43Å; F458-Q485 HydrophobicContact CD1-CB 3.6Å; F458-Q485 HydrophobicContact CE1-CB 4.32Å; F458-Q485 HydrophobicContact CG-CB 4.49Å; R459-Q485 VanDerWaalsContact N-OE1 3.12Å; R459-Q485 WeakPolarHBondContact O-CB 3.31Å; R459-Q485 WeakPolarHBondContact O-CG 3.32Å; R459-Q485 PolarHBondContact O-N 3.05Å; E461-Q485 HydrophobicContact CB-CG 3.98Å; E461-Q485 WeakPolarHBondContact OE2-CG 3.26Å; E461-Q485 PolarHBondContact OE2-NE2 2.88Å; Q485-N487 VanDerWaalsContact C-N 3.28Å; Q485-N487 PolarHBondContact O-N 2.96Å; Q485-M488 PolarHBondContact O-N 2.66Å; Q485-M488 VanDerWaalsContact O-N 3.12Å; Q485-T489 WeakPolarHBondContact O-CB 3.49Å; Q485-T489 PolarHBondContact O-N 2.9Å; Q485-T489 PolarHBondContact O-OG1 3.28Å
486	L	95.8	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-38.1	-179.9	177.6	52.3	0	0	0	111.4	W452 L456 F458 D484 K490 L496 R533 L535	W452-L486 HydrophobicContact CH2-CD1 4.49Å; L456-L486 HydrophobicContact CD1-CD2 4.03Å; F458-L486 HydrophobicContact CB-CB 4.04Å; F458-L486 HydrophobicContact CD1-CB 3.99Å; F458-L486 HydrophobicContact CD2-CB 3.66Å; F458-L486 HydrophobicContact CD2-CD1 4.3Å; F458-L486 HydrophobicContact CD2-CD2 4.02Å; F458-L486 HydrophobicContact CD2-CG 4.2Å; F458-L486 HydrophobicContact CE1-CB 4.19Å; F458-L486 HydrophobicContact CE2-CB 3.91Å; F458-L486 HydrophobicContact CE2-CD1 3.69Å; F458-L486 HydrophobicContact CE2-CD2 4.11Å; F458-L486 HydrophobicContact CE2-CG 4.1Å; F458-L486 HydrophobicContact CG-CB 3.66Å; F458-L486 HydrophobicContact CZ-CB 4.12Å; F458-L486 HydrophobicContact CZ-CD1 3.81Å; F458-L486 HydrophobicContact CZ-CG 4.46Å; D484-L486 PolarHBondContact O-N 3.27Å; D484-L486 PolarHBondContact OD2-N 2.78Å; L486-K490 WeakPolarHBondContact O-CG 3.17Å; L486-K490 PolarHBondContact O-N 2.8Å; L486-L496 HydrophobicContact CD1-CD1 4.09Å; L486-L496 HydrophobicContact CD1-CD2 4.33Å; L486-R533 HydrophobicContact CD2-CG 4.29Å; L486-L535 HydrophobicContact CD2-CD1 3.95Å; L486-L535 HydrophobicContact CD2-CD2 4.18Å
487	N	93.3	Very high	92.5	Very high	42 Å²	42	53.9 Å²	53.9	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-42.8	173.8	-171.1	67.6	0	0	0	112.6	W481 D484 Q485 T489	W481-N487 HydrophobicContact CD2-CB 4.2Å; W481-N487 VanDerWaalsContact CE2-OD1 3.24Å; W481-N487 HydrophobicContact CZ2-CB 4.33Å; W481-N487 WeakPolarHBondContact CZ2-OD1 3.29Å; W481-N487 VanDerWaalsContact NE1-CG 3.3Å; W481-N487 PolarHBondContact NE1-OD1 3.17Å; W481-N487 WeakPolarHBondContact O-CB 3.16Å; W481-N487 PolarHBondContact O-ND2 2.93Å; D484-N487 HydrophobicContact CB-CB 4.18Å; D484-N487 PolarHBondContact O-N 3.1Å; D484-N487 PolarHBondContact OD2-N 3.01Å; D484-N487 VanDerWaalsContact OD2-N 3.14Å; Q485-N487 VanDerWaalsContact C-N 3.28Å; Q485-N487 PolarHBondContact O-N 2.96Å; N487-T489 VanDerWaalsContact C-N 3.33Å; N487-T489 PolarHBondContact O-N 3.33Å
488	M	91.9	Very high	92.3	Very high	50 Å²	50	54.4 Å²	54.4	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-33.7	176	-73.3	171.7	28.2	0	0	113.7	K462 D484 Q485	K462-M488 HydrophobicContact CD-CE 4.46Å; K462-M488 HydrophobicContact CD-SD 3.88Å; K462-M488 WeakPolarHBondContact CE-SD 3.46Å; K462-M488 HydrophobicContact CG-SD 4.5Å; K462-M488 PolarHBondContact NZ-SD 2.61Å; D484-M488 WeakPolarHBondContact O-CG 3.47Å; D484-M488 PolarHBondContact O-N 3.12Å; Q485-M488 PolarHBondContact O-N 2.66Å; Q485-M488 VanDerWaalsContact O-N 3.12Å
489	T	91.1	Very high	92.4	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-82.3	-20.9	-173.6	-64.2	0	0	0	0	112.6	M424 Q485 N487 D491 S492 E493 L496	M424-T489 HydrophobicContact CG-CG2 4.13Å; M424-T489 HydrophobicContact SD-CG2 3.82Å; Q485-T489 WeakPolarHBondContact O-CB 3.49Å; Q485-T489 PolarHBondContact O-N 2.9Å; Q485-T489 PolarHBondContact O-OG1 3.28Å; N487-T489 VanDerWaalsContact C-N 3.33Å; N487-T489 PolarHBondContact O-N 3.33Å; T489-D491 PolarHBondContact O-N 3.1Å; T489-S492 PolarHBondContact O-N 2.82Å; T489-S492 VanDerWaalsContact O-N 3.13Å; T489-S492 PolarHBondContact O-OG 3.08Å; T489-E493 HydrophobicContact CG2-CB 4.13Å; T489-E493 HydrophobicContact CG2-CG 3.25Å; T489-E493 PolarHBondContact O-N 3.15Å; T489-L496 HydrophobicContact CG2-CD1 3.76Å
490	K	88.3	Confident	92.5	Very high	45 Å²	45	51.6 Å²	51.6	20%	0.196	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.5	176.8	-80.8	166.2	-169	168.2	0	114.2	L486 L496 E501	L486-K490 WeakPolarHBondContact O-CG 3.17Å; L486-K490 PolarHBondContact O-N 2.8Å; K490-L496 HydrophobicContact CG-CD1 4.12Å; K490-E501 IonicContact NZ-OE2 3.02Å; K490-E501 PolarHBondContact NZ-OE2 2.81Å
491	D	83.2	Confident	92.6	Very high	159 Å²	159	52.8 Å²	52.8	85%	0.85	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.9	-179.9	-65.7	-25.2	0	0	0	113.1	T489	T489-D491 PolarHBondContact O-N 3.1Å
492	S	87.7	Confident	92.6	Very high	73 Å²	73	50.6 Å²	50.6	51%	0.51	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-37.8	-177.2	67.2	0	0	0	0	114.4	T489	T489-S492 PolarHBondContact O-N 2.82Å; T489-S492 VanDerWaalsContact O-N 3.13Å; T489-S492 PolarHBondContact O-OG 3.08Å
493	E	92.1	Very high	92.7	Very high	72 Å²	72	48.7 Å²	48.7	34%	0.336	27%	0.272	S	S	.	.			trans	-95.9	116.5	-171.3	-55	-51.3	135.9	0	0	112.7	M424 T489 V495 L496	M424-E493 HydrophobicContact CG-CG 4.28Å; M424-E493 HydrophobicContact SD-CG 4.32Å; T489-E493 HydrophobicContact CG2-CB 4.13Å; T489-E493 HydrophobicContact CG2-CG 3.25Å; T489-E493 PolarHBondContact O-N 3.15Å; E493-V495 HydrophobicContact CB-CG1 4.16Å; E493-V495 PolarHBondContact O-N 3.41Å; E493-L496 HydrophobicContact CB-CD1 4.14Å; E493-L496 HydrophobicContact CB-CG 4.16Å; E493-L496 WeakPolarHBondContact O-CB 3.16Å; E493-L496 PolarHBondContact O-N 3.47Å
494	T	90.9	Very high	92.7	Very high	113 Å²	113	47.8 Å²	47.8	69%	0.693	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24.1	-179.8	56.1	0	0	0	0	113.3	L496 E497	T494-L496 PolarHBondContact O-N 2.91Å; T494-E497 VanDerWaalsContact O-CB 3.25Å; T494-E497 WeakPolarHBondContact O-CB 3.48Å; T494-E497 PolarHBondContact O-N 2.92Å; T494-E497 VanDerWaalsContact O-N 3.08Å
495	V	91.1	Very high	92.7	Very high	18 Å²	18	57.6 Å²	57.6	11%	0.109	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-64.1	-21.1	173.3	74.4	0	0	0	0	112.8	M424 F427 E428 L431 E493	M424-V495 HydrophobicContact SD-CG1 4.42Å; F427-V495 HydrophobicContact CD1-CB 4.48Å; F427-V495 HydrophobicContact CD1-CG1 3.89Å; F427-V495 HydrophobicContact CD1-CG2 3.76Å; F427-V495 HydrophobicContact CE1-CG1 4.22Å; F427-V495 HydrophobicContact CE1-CG2 3.78Å; E428-V495 HydrophobicContact CG-CB 4.01Å; E428-V495 HydrophobicContact CG-CG1 4.28Å; E428-V495 HydrophobicContact CG-CG2 3.76Å; L431-V495 HydrophobicContact CD1-CG2 3.47Å; L431-V495 VanDerWaalsContact CD1-CG2 3.47Å; E493-V495 HydrophobicContact CB-CG1 4.16Å; E493-V495 PolarHBondContact O-N 3.41Å
496	L	93.5	Very high	92.7	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-89.2	-2	176	-58.4	178.9	0	0	0	113.1	M424 F427 W452 L486 T489 K490 E493 T494 G498 F499	M424-L496 HydrophobicContact SD-CD1 4.21Å; M424-L496 HydrophobicContact SD-CD2 4.39Å; M424-L496 HydrophobicContact SD-CG 4.4Å; F427-L496 HydrophobicContact CD1-CD2 4.27Å; F427-L496 HydrophobicContact CE1-CD2 3.88Å; W452-L496 HydrophobicContact CH2-CD2 3.77Å; W452-L496 HydrophobicContact CZ3-CD2 3.51Å; L486-L496 HydrophobicContact CD1-CD1 4.09Å; L486-L496 HydrophobicContact CD1-CD2 4.33Å; T489-L496 HydrophobicContact CG2-CD1 3.76Å; K490-L496 HydrophobicContact CG-CD1 4.12Å; E493-L496 HydrophobicContact CB-CD1 4.14Å; E493-L496 HydrophobicContact CB-CG 4.16Å; E493-L496 WeakPolarHBondContact O-CB 3.16Å; E493-L496 PolarHBondContact O-N 3.47Å; T494-L496 PolarHBondContact O-N 2.91Å; L496-G498 PolarHBondContact O-N 3.01Å; L496-F499 WeakPolarHBondContact O-CB 3.38Å; L496-F499 PolarHBondContact O-N 3.14Å
497	E	92.2	Very high	92.8	Very high	145 Å²	145	59.4 Å²	59.4	68%	0.678	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	121.4	-173.4	-166.8	-175.8	166.7	0	0	112.6	T494 R537	T494-E497 VanDerWaalsContact O-CB 3.25Å; T494-E497 WeakPolarHBondContact O-CB 3.48Å; T494-E497 PolarHBondContact O-N 2.92Å; T494-E497 VanDerWaalsContact O-N 3.08Å; E497-R537 WeakPolarHBondContact O-CD 3.15Å; E497-R537 PolarHBondContact O-NE 3.15Å
498	G	91.6	Very high	93.1	Very high	42 Å²	42	57.4 Å²	57.4	43%	0.433	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-1.6	-178.7	0	0	0	0	0	115.2	L496 Q500	L496-G498 PolarHBondContact O-N 3.01Å; G498-Q500 PolarHBondContact O-N 2.87Å
499	F	95.9	Very high	93.4	Very high	14 Å²	14	55 Å²	55	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.7	169.6	-78.4	-82.4	0	0	0	111.4	F427 L445 V450 W452 L496 L535 W536 R537	F427-F499 HydrophobicContact CE1-CE2 4.47Å; F427-F499 HydrophobicContact CZ-CE2 4.03Å; F427-F499 HydrophobicContact CZ-CZ 4.11Å; L445-F499 HydrophobicContact CD2-CE2 3.87Å; L445-F499 HydrophobicContact CD2-CZ 3.81Å; V450-F499 HydrophobicContact CG1-CE1 4.13Å; V450-F499 HydrophobicContact CG1-CZ 4.17Å; W452-F499 HydrophobicContact CB-CD1 4.35Å; W452-F499 HydrophobicContact CB-CE1 3.69Å; W452-F499 HydrophobicContact CB-CZ 4.36Å; W452-F499 HydrophobicContact CE3-CD1 4.16Å; W452-F499 HydrophobicContact CE3-CE1 4.23Å; W452-F499 HydrophobicContact CE3-CG 4.43Å; L496-F499 WeakPolarHBondContact O-CB 3.38Å; L496-F499 PolarHBondContact O-N 3.14Å; F499-L535 HydrophobicContact CB-CD2 4.32Å; F499-L535 HydrophobicContact CD1-CB 4.19Å; F499-W536 CarbonylContact C-O 3.59Å; F499-W536 WeakPolarHBondContact CA-O 3.23Å; F499-R537 HydrophobicContact CD1-CB 3.64Å; F499-R537 HydrophobicContact CD2-CB 4.28Å; F499-R537 HydrophobicContact CE1-CB 3.71Å; F499-R537 HydrophobicContact CE2-CB 4.35Å; F499-R537 HydrophobicContact CG-CB 3.94Å; F499-R537 HydrophobicContact CZ-CB 4.08Å
500	Q	95.9	Very high	93.7	Very high	92 Å²	92	55.3 Å²	55.3	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.9	175.9	-69.2	164.9	74.5	0	0	110.3	G498 L535 W536	G498-Q500 PolarHBondContact O-N 2.87Å; Q500-L535 VanDerWaalsContact O-CA 3.24Å; Q500-L535 WeakPolarHBondContact O-CA 3.48Å; Q500-L535 WeakPolarHBondContact O-CB 3.36Å; Q500-W536 HydrophobicContact CB-CD2 3.94Å; Q500-W536 HydrophobicContact CB-CE3 4.3Å; Q500-W536 HydrophobicContact CB-CH2 4.02Å; Q500-W536 HydrophobicContact CB-CZ2 3.61Å; Q500-W536 HydrophobicContact CB-CZ3 4.34Å; Q500-W536 PolarHBondContact N-O 2.75Å; Q500-W536 PolarHBondContact O-N 2.96Å
501	E	97	Very high	94.2	Very high	26 Å²	26	55 Å²	55	12%	0.121	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142.5	176.5	-170.9	174.2	-168.1	0	0	109.3	W481 K490 R533 L535 Y568	W481-E501 HydrophobicContact CH2-CB 4.43Å; W481-E501 HydrophobicContact CH2-CG 4.11Å; W481-E501 WeakPolarHBondContact CH2-OE2 3.32Å; K490-E501 IonicContact NZ-OE2 3.02Å; K490-E501 PolarHBondContact NZ-OE2 2.81Å; E501-R533 IonicContact OE1-CZ 3.83Å; E501-R533 IonicContact OE1-NE 3.76Å; E501-R533 PolarHBondContact OE1-NE 2.74Å; E501-R533 IonicContact OE1-NH2 3.26Å; E501-R533 IonicContact OE2-CZ 3.42Å; E501-R533 IonicContact OE2-NE 2.69Å; E501-R533 IonicContact OE2-NH2 3.97Å; E501-R533 PolarHBondContact OE2-NH2 3.04Å; E501-L535 HydrophobicContact CB-CD2 4.02Å; E501-L535 HydrophobicContact CB-CG 3.98Å; E501-L535 HydrophobicContact CG-CG 4.1Å; E501-Y568 HydrophobicContact CG-CE1 3.82Å; E501-Y568 PolarHBondContact OE1-OH 2.62Å
502	G	94.9	Very high	94.9	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	25%	0.25	C	S	.	.			trans	-72.5	160.2	176.9	0	0	0	0	0	113.4	L504 Y568	G502-L504 PolarHBondContact O-N 3Å; G502-Y568 WeakPolarHBondContact O-CE1 3.43Å
503	P	93.9	Very high	95.3	Very high	80 Å²	80	45.7 Å²	45.7	52%	0.519	24%	0.235	S	C	.	.			trans	-66.2	124.8	176.7	28	-34.4	0	0	0	111.1	R505	P503-R505 HydrophobicContact CB-CG 4.47Å; P503-R505 PolarHBondContact O-N 2.79Å
504	L	94.9	Very high	95.6	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.063	25%	0.246	C	C	.	.			trans	-71.5	93.1	175.1	-64.8	-173.3	0	0	0	111.2	W481 G502 F506 W530 Y568	W481-L504 HydrophobicContact CE3-CB 4.16Å; W481-L504 HydrophobicContact CE3-CD1 3.61Å; W481-L504 HydrophobicContact CE3-CG 3.78Å; W481-L504 HydrophobicContact CH2-CG 4.34Å; W481-L504 HydrophobicContact CZ3-CB 4.28Å; W481-L504 HydrophobicContact CZ3-CD1 3.4Å; W481-L504 HydrophobicContact CZ3-CG 3.44Å; W481-L504 VanDerWaalsContact CZ3-CG 3.44Å; G502-L504 PolarHBondContact O-N 3Å; L504-F506 VanDerWaalsContact C-N 3.29Å; L504-F506 HydrophobicContact CD2-CD1 4.37Å; L504-F506 HydrophobicContact CD2-CE1 3.52Å; L504-F506 HydrophobicContact CD2-CE2 4.06Å; L504-F506 HydrophobicContact CD2-CZ 3.36Å; L504-W530 HydrophobicContact CB-CZ2 4.06Å; L504-W530 HydrophobicContact CD1-CB 3.76Å; L504-W530 HydrophobicContact CD1-CD2 3.42Å; L504-W530 VanDerWaalsContact CD1-CD2 3.42Å; L504-W530 HydrophobicContact CD1-CE3 3.88Å; L504-W530 HydrophobicContact CD1-CG 3.39Å; L504-W530 HydrophobicContact CD1-CZ2 4.36Å; L504-W530 HydrophobicContact CD1-CZ3 4.48Å; L504-Y568 HydrophobicContact CD2-CD1 3.91Å; L504-Y568 HydrophobicContact CD2-CE1 3.3Å; L504-Y568 HydrophobicContact CG-CE1 4.39Å
505	R	95.3	Very high	95.9	Very high	206 Å²	206	43.6 Å²	43.6	78%	0.777	24%	0.236	S	C	*	.			trans	-92	16.3	175.9	-63	-178.6	179.6	-176.8	0.9	113.1	P503	P503-R505 HydrophobicContact CB-CG 4.47Å; P503-R505 PolarHBondContact O-N 2.79Å
506	F	97.2	Very high	96.2	Very high	14 Å²	14	45 Å²	45	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-133.9	151	-175.9	58.6	-96.2	0	0	0	110.7	L504 T509 W530 Y568 S570 V582	L504-F506 VanDerWaalsContact C-N 3.29Å; L504-F506 HydrophobicContact CD2-CD1 4.37Å; L504-F506 HydrophobicContact CD2-CE1 3.52Å; L504-F506 HydrophobicContact CD2-CE2 4.06Å; L504-F506 HydrophobicContact CD2-CZ 3.36Å; F506-T509 HydrophobicContact CD2-CG2 4.39Å; F506-T509 HydrophobicContact CE2-CG2 3.88Å; F506-W530 AromaticContact CE2-CD1 4Å; F506-W530 WeakPolarHBondContact O-CZ2 3.24Å; F506-W530 PolarHBondContact O-NE1 2.91Å; F506-Y568 WeakPolarHBondContact CD1-O 3.24Å; F506-Y568 HydrophobicContact CE1-CD1 4.25Å; F506-Y568 HydrophobicContact CE1-CD2 4.03Å; F506-Y568 HydrophobicContact CE1-CE2 4.33Å; F506-Y568 AromaticContact CE1-CG 3.98Å; F506-Y568 HydrophobicContact CE1-CG 3.98Å; F506-Y568 WeakPolarHBondContact CE1-O 3.29Å; F506-Y568 HydrophobicContact CZ-CD2 4.25Å; F506-Y568 HydrophobicContact CZ-CE2 4.13Å; F506-S570 VanDerWaalsContact CD2-CB 3.48Å; F506-S570 VanDerWaalsContact CD2-OG 3.29Å; F506-S570 WeakPolarHBondContact CD2-OG 3.18Å; F506-V582 HydrophobicContact CE2-CG1 4.48Å; F506-V582 HydrophobicContact CE2-CG2 4.04Å; F506-V582 HydrophobicContact CZ-CG1 3.92Å; F506-V582 HydrophobicContact CZ-CG2 4.29Å
507	P	97.6	Very high	96.4	Very high	25 Å²	25	48.3 Å²	48.3	16%	0.162	26%	0.262	C	S	.	.			trans	-68.8	159.9	-173.1	29.4	-37.1	0	0	0	112.9	I472 Y477 T509 W530 M572	I472-P507 HydrophobicContact CG2-CB 4.14Å; Y477-P507 HydrophobicContact CE1-CB 3.78Å; P507-T509 PolarHBondContact O-N 2.89Å; P507-W530 VanDerWaalsContact C-NE1 3.29Å; P507-W530 PolarHBondContact O-NE1 2.85Å; P507-M572 HydrophobicContact CG-SD 4.15Å
508	P	98.3	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.			trans	-47.1	132.3	177.7	-34.6	40.7	0	0	0	114.7	I460 I472 L480 F512 Y519 P528 A529 W530	I460-P508 HydrophobicContact CD1-CG 4.3Å; I472-P508 HydrophobicContact CD1-CB 4.48Å; I472-P508 HydrophobicContact CD1-CG 3.81Å; I472-P508 HydrophobicContact CG1-CG 4.11Å; L480-P508 HydrophobicContact CD1-CG 4.05Å; P508-F512 WeakPolarHBondContact O-CE2 3.49Å; P508-F512 WeakPolarHBondContact O-CZ 3.39Å; P508-Y519 HydrophobicContact CB-CE1 4.29Å; P508-Y519 WeakPolarHBondContact O-CE1 3.45Å; P508-Y519 PolarHBondContact O-OH 3.04Å; P508-P528 HydrophobicContact CB-CB 3.75Å; P508-P528 HydrophobicContact CG-CB 4.17Å; P508-A529 CarbonylContact C-O 3.49Å; P508-A529 WeakPolarHBondContact CB-O 3.18Å; P508-W530 HydrophobicContact CG-CD2 4.18Å; P508-W530 HydrophobicContact CG-CZ2 4.22Å
509	T	98.6	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.			trans	-82.1	-14.3	-170.1	55.8	0	0	0	0	114	F506 P507 F512 A529 T531 D532 H579 K580 V582	F506-T509 HydrophobicContact CD2-CG2 4.39Å; F506-T509 HydrophobicContact CE2-CG2 3.88Å; P507-T509 PolarHBondContact O-N 2.89Å; T509-F512 WeakPolarHBondContact O-CD2 3.46Å; T509-F512 VanDerWaalsContact O-CE2 3.31Å; T509-F512 WeakPolarHBondContact O-CE2 3.37Å; T509-A529 PolarHBondContact N-O 2.97Å; T509-A529 VanDerWaalsContact N-O 3.09Å; T509-T531 PolarHBondContact OG1-N 3.1Å; T509-T531 PolarHBondContact OG1-OG1 2.88Å; T509-D532 WeakPolarHBondContact CB-OD2 3.43Å; T509-D532 HydrophobicContact CG2-CB 4.38Å; T509-D532 PolarHBondContact OG1-N 3.07Å; T509-D532 PolarHBondContact OG1-OD2 2.79Å; T509-H579 WeakPolarHBondContact O-CA 3.39Å; T509-K580 PolarHBondContact O-N 2.99Å; T509-V582 HydrophobicContact CG2-CG2 3.37Å
510	Y	98.4	Very high	96.8	Very high	17 Å²	17	43.6 Å²	43.6	7%	0.067	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-137	152.7	-179.8	173.5	-99.5	0	0	0	109.8	R526 P528 A529 T531 H579	Y510-R526 PolarHBondContact OH-NH1 2.95Å; Y510-P528 CarbonylContact O-C 3.52Å; Y510-P528 WeakPolarHBondContact O-CA 3.46Å; Y510-A529 PolarHBondContact N-O 3.41Å; Y510-A529 VanDerWaalsContact N-O 3.1Å; Y510-A529 PolarHBondContact O-N 3.34Å; Y510-T531 WeakPolarHBondContact CB-OG1 3.23Å; Y510-T531 HydrophobicContact CD1-CG2 3.9Å; Y510-T531 HydrophobicContact CG-CG2 4.07Å; Y510-H579 AromaticContact CD2-CD2 3.53Å; Y510-H579 AromaticContact CD2-CE1 3.53Å; Y510-H579 AromaticContact CD2-NE2 3.17Å; Y510-H579 WeakPolarHBondContact CD2-NE2 3.34Å; Y510-H579 AromaticContact CE2-NE2 3.46Å; Y510-H579 WeakPolarHBondContact CE2-NE2 3.21Å
511	K	97.4	Very high	96.7	Very high	40 Å²	40	43.8 Å²	43.8	17%	0.174	24%	0.241	C	C	.	.			cis	-107.6	131.6	-8.9	178.1	174.8	162.3	47.5	0	109.7	Y519 D520 R526 D578	K511-Y519 CarbonylContact O-C 3.51Å; K511-Y519 WeakPolarHBondContact O-CA 3.39Å; K511-Y519 WeakPolarHBondContact O-CD1 3.26Å; K511-D520 HydrophobicContact CB-CB 4.2Å; K511-D520 HydrophobicContact CD-CB 4.16Å; K511-D520 HydrophobicContact CG-CB 4.12Å; K511-D520 PolarHBondContact O-N 2.92Å; K511-R526 HydrophobicContact CB-CB 4.07Å; K511-R526 HydrophobicContact CD-CB 4.13Å; K511-R526 HydrophobicContact CD-CG 4Å; K511-D578 HydrophobicContact CG-CB 4.1Å; K511-D578 VanDerWaalsContact NZ-CB 3.28Å; K511-D578 VanDerWaalsContact NZ-CG 3.35Å; K511-D578 IonicContact NZ-OD2 3.36Å; K511-D578 PolarHBondContact NZ-OD2 2.97Å
512	F	97.9	Very high	96.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-98.2	158.3	174.4	-66.7	-83.2	0	0	0	113	P508 T509 N517 T518 Y519 M572 D578 K580	P508-F512 WeakPolarHBondContact O-CE2 3.49Å; P508-F512 WeakPolarHBondContact O-CZ 3.39Å; T509-F512 WeakPolarHBondContact O-CD2 3.46Å; T509-F512 VanDerWaalsContact O-CE2 3.31Å; T509-F512 WeakPolarHBondContact O-CE2 3.37Å; F512-N517 VanDerWaalsContact CD1-C 3.5Å; F512-N517 WeakPolarHBondContact CE1-O 3.47Å; F512-T518 CarbonylContact C-O 3.18Å; F512-T518 WeakPolarHBondContact CA-O 3.17Å; F512-Y519 HydrophobicContact CD1-CD1 4.22Å; F512-Y519 HydrophobicContact CD1-CE1 4.32Å; F512-Y519 HydrophobicContact CD2-CE1 4.48Å; F512-Y519 AromaticContact CE1-CD1 3.86Å; F512-Y519 HydrophobicContact CE1-CD1 3.86Å; F512-Y519 HydrophobicContact CE1-CD2 4.26Å; F512-Y519 AromaticContact CE1-CE1 3.58Å; F512-Y519 HydrophobicContact CE1-CE1 3.58Å; F512-Y519 HydrophobicContact CE1-CE2 4Å; F512-Y519 HydrophobicContact CE1-CG 4.2Å; F512-Y519 AromaticContact CE1-CZ 3.66Å; F512-Y519 HydrophobicContact CE2-CD1 4.42Å; F512-Y519 AromaticContact CE2-CE1 3.77Å; F512-Y519 HydrophobicContact CE2-CE1 3.77Å; F512-Y519 AromaticContact CZ-CD1 3.98Å; F512-Y519 HydrophobicContact CZ-CD1 3.98Å; F512-Y519 AromaticContact CZ-CE1 3.27Å; F512-Y519 HydrophobicContact CZ-CE1 3.27Å; F512-Y519 HydrophobicContact CZ-CE2 4.18Å; F512-Y519 AromaticContact CZ-CZ 3.39Å; F512-Y519 WeakPolarHBondContact CZ-OH 3.49Å; F512-M572 HydrophobicContact CE1-CE 3.97Å; F512-M572 HydrophobicContact CZ-CE 3.7Å; F512-D578 PolarHBondContact N-O 3.49Å; F512-D578 WeakPolarHBondContact O-CB 3.34Å; F512-K580 HydrophobicContact CD2-CD 4.21Å; F512-K580 VanDerWaalsContact CD2-CE 3.45Å; F512-K580 HydrophobicContact CD2-CG 3.71Å; F512-K580 HydrophobicContact CE2-CD 4.24Å; F512-K580 HydrophobicContact CE2-CG 3.39Å; F512-K580 HydrophobicContact CZ-CG 4.07Å
513	D	97.8	Very high	96	Very high	35 Å²	35	48.7 Å²	48.7	19%	0.187	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-78.9	121	159.8	-64.4	-38	0	0	0	108.2	T516 T518 D520 T521	D513-T516 WeakPolarHBondContact O-CB 3.42Å; D513-T516 PolarHBondContact O-N 3.05Å; D513-T516 PolarHBondContact O-OG1 3.14Å; D513-T518 PolarHBondContact N-O 2.88Å; D513-D520 WeakPolarHBondContact OD1-CA 3.46Å; D513-T521 PolarHBondContact OD1-N 3.01Å; D513-T521 VanDerWaalsContact OD2-CB 3.29Å; D513-T521 WeakPolarHBondContact OD2-CB 3.4Å; D513-T521 VanDerWaalsContact OD2-CG2 3.24Å; D513-T521 WeakPolarHBondContact OD2-CG2 3.32Å; D513-T521 PolarHBondContact OD2-N 2.66Å; D513-T521 PolarHBondContact OD2-OG1 3.09Å
514	V	97.2	Very high	95.7	Very high	94 Å²	94	52.8 Å²	52.8	57%	0.57	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	138.2	-174.2	-177.7	0	0	0	0	110.8	T516 D578	V514-T516 VanDerWaalsContact C-N 3.35Å; V514-D578 HydrophobicContact CG2-CB 4.07Å
515	G	97.2	Very high	95.3	Very high	47 Å²	47	59 Å²	59	49%	0.485	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	4.3	-171.4	0	0	0	0	0	114.2	L575	G515-L575 WeakPolarHBondContact CA-O 3.37Å; G515-L575 PolarHBondContact N-O 3.13Å
516	T	97.2	Very high	95.1	Very high	47 Å²	47	52 Å²	52	29%	0.288	30%	0.301	S	S	.	.	S	Bend	trans	-140.8	176.5	-176.6	82.5	0	0	0	0	113.6	D513 V514 T518 K580	D513-T516 WeakPolarHBondContact O-CB 3.42Å; D513-T516 PolarHBondContact O-N 3.05Å; D513-T516 PolarHBondContact O-OG1 3.14Å; V514-T516 VanDerWaalsContact C-N 3.35Å; T516-T518 WeakPolarHBondContact OG1-CB 3.48Å; T516-T518 PolarHBondContact OG1-N 2.82Å; T516-K580 PolarHBondContact O-NZ 3.39Å
517	N	97.4	Very high	95	Very high	75 Å²	75	53.5 Å²	53.5	40%	0.401	31%	0.308	S	S	.	.	S	Bend	trans	-108.4	22.3	163.8	-75	-27.3	0	0	0	112.3	F512 M572 L575 K580	F512-N517 VanDerWaalsContact CD1-C 3.5Å; F512-N517 WeakPolarHBondContact CE1-O 3.47Å; N517-M572 HydrophobicContact CB-CE 4.24Å; N517-M572 PolarHBondContact ND2-O 2.94Å; N517-M572 PolarHBondContact OD1-O 3.28Å; N517-L575 WeakPolarHBondContact OD1-CD2 3.09Å; N517-K580 WeakPolarHBondContact OD1-CE 3.46Å; N517-K580 PolarHBondContact OD1-NZ 3.27Å
518	T	96.9	Very high	95	Very high	72 Å²	72	52.3 Å²	52.3	44%	0.442	30%	0.3	S	S	.	.			trans	-89.4	132	176.2	-53.4	0	0	0	0	110.6	F512 D513 T516 T521	F512-T518 CarbonylContact C-O 3.18Å; F512-T518 WeakPolarHBondContact CA-O 3.17Å; D513-T518 PolarHBondContact N-O 2.88Å; T516-T518 WeakPolarHBondContact OG1-CB 3.48Å; T516-T518 PolarHBondContact OG1-N 2.82Å; T518-T521 HydrophobicContact CG2-CG2 3.74Å
519	Y	97.1	Very high	95	Very high	27 Å²	27	52.3 Å²	52.3	11%	0.106	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-78.3	125.6	177.1	-73	-74.3	0	0	0	113.3	K469 I472 P508 K511 F512 T521 P528	K469-Y519 PolarHBondContact NZ-O 3.01Å; I472-Y519 HydrophobicContact CD1-CE2 3.98Å; I472-Y519 HydrophobicContact CG2-CE2 4.06Å; P508-Y519 HydrophobicContact CB-CE1 4.29Å; P508-Y519 WeakPolarHBondContact O-CE1 3.45Å; P508-Y519 PolarHBondContact O-OH 3.04Å; K511-Y519 CarbonylContact O-C 3.51Å; K511-Y519 WeakPolarHBondContact O-CA 3.39Å; K511-Y519 WeakPolarHBondContact O-CD1 3.26Å; F512-Y519 HydrophobicContact CD1-CD1 4.22Å; F512-Y519 HydrophobicContact CD1-CE1 4.32Å; F512-Y519 HydrophobicContact CD2-CE1 4.48Å; F512-Y519 AromaticContact CE1-CD1 3.86Å; F512-Y519 HydrophobicContact CE1-CD1 3.86Å; F512-Y519 HydrophobicContact CE1-CD2 4.26Å; F512-Y519 AromaticContact CE1-CE1 3.58Å; F512-Y519 HydrophobicContact CE1-CE1 3.58Å; F512-Y519 HydrophobicContact CE1-CE2 4Å; F512-Y519 HydrophobicContact CE1-CG 4.2Å; F512-Y519 AromaticContact CE1-CZ 3.66Å; F512-Y519 HydrophobicContact CE2-CD1 4.42Å; F512-Y519 AromaticContact CE2-CE1 3.77Å; F512-Y519 HydrophobicContact CE2-CE1 3.77Å; F512-Y519 AromaticContact CZ-CD1 3.98Å; F512-Y519 HydrophobicContact CZ-CD1 3.98Å; F512-Y519 AromaticContact CZ-CE1 3.27Å; F512-Y519 HydrophobicContact CZ-CE1 3.27Å; F512-Y519 HydrophobicContact CZ-CE2 4.18Å; F512-Y519 AromaticContact CZ-CZ 3.39Å; F512-Y519 WeakPolarHBondContact CZ-OH 3.49Å; Y519-T521 PolarHBondContact O-N 3.05Å; Y519-P528 HydrophobicContact CD1-CB 3.87Å; Y519-P528 HydrophobicContact CD1-CG 3.69Å; Y519-P528 HydrophobicContact CD2-CG 4.39Å; Y519-P528 HydrophobicContact CE1-CB 3.8Å; Y519-P528 HydrophobicContact CE1-CG 4.1Å; Y519-P528 HydrophobicContact CG-CB 4.46Å; Y519-P528 HydrophobicContact CG-CG 3.85Å
520	D	95.1	Very high	95	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	30%	0.3	C	S	.	.			trans	-2.2	97.2	-176.6	-171.9	10.5	0	0	0	115.3	K511 D513 S522 R526	K511-D520 HydrophobicContact CB-CB 4.2Å; K511-D520 HydrophobicContact CD-CB 4.16Å; K511-D520 HydrophobicContact CG-CB 4.12Å; K511-D520 PolarHBondContact O-N 2.92Å; D513-D520 WeakPolarHBondContact OD1-CA 3.46Å; D520-S522 WeakPolarHBondContact OD1-CA 3.38Å; D520-S522 WeakPolarHBondContact OD1-CB 3.49Å; D520-S522 PolarHBondContact OD1-N 2.82Å; D520-S522 PolarHBondContact OD1-OG 3.31Å; D520-S522 PolarHBondContact OD2-OG 2.96Å; D520-R526 HydrophobicContact CB-CB 4.3Å; D520-R526 VanDerWaalsContact OD2-CB 3.25Å; D520-R526 WeakPolarHBondContact OD2-CB 3.42Å; D520-R526 VanDerWaalsContact OD2-CG 3.32Å; D520-R526 WeakPolarHBondContact OD2-CG 3.33Å; D520-R526 PolarHBondContact OD2-N 2.68Å
521	T	92.6	Very high	95	Very high	97 Å²	97	51.5 Å²	51.5	60%	0.595	30%	0.297	S	S	*	.			trans	-87.4	-5	173.2	59.2	0	0	0	0	113.2	D513 T518 Y519	D513-T521 PolarHBondContact OD1-N 3.01Å; D513-T521 VanDerWaalsContact OD2-CB 3.29Å; D513-T521 WeakPolarHBondContact OD2-CB 3.4Å; D513-T521 VanDerWaalsContact OD2-CG2 3.24Å; D513-T521 WeakPolarHBondContact OD2-CG2 3.32Å; D513-T521 PolarHBondContact OD2-N 2.66Å; D513-T521 PolarHBondContact OD2-OG1 3.09Å; T518-T521 HydrophobicContact CG2-CG2 3.74Å; Y519-T521 PolarHBondContact O-N 3.05Å
522	S	92.8	Very high	95.1	Very high	47 Å²	47	49.6 Å²	49.6	33%	0.329	29%	0.288	S	S	.	.	S	Bend	trans	-63.1	163.9	-179.6	83.3	0	0	0	0	112.3	D520 K524 K525	D520-S522 WeakPolarHBondContact OD1-CA 3.38Å; D520-S522 WeakPolarHBondContact OD1-CB 3.49Å; D520-S522 PolarHBondContact OD1-N 2.82Å; D520-S522 PolarHBondContact OD1-OG 3.31Å; D520-S522 PolarHBondContact OD2-OG 2.96Å; S522-K524 PolarHBondContact O-N 3.2Å; S522-K524 PolarHBondContact OG-N 2.85Å; S522-K525 WeakPolarHBondContact O-CG 3.45Å; S522-K525 PolarHBondContact O-N 2.68Å
523	G	84.8	Confident	95.1	Very high	85 Å²	85	49.6 Å²	49.6	88%	0.876	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-12.6	175.6	0	0	0	0	0	115.1
524	K	87.1	Confident	95.1	Very high	166 Å²	166	48 Å²	48	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-20.3	174.7	-66	179.4	-179.4	174.7	0	113.6	S522 R526	S522-K524 PolarHBondContact O-N 3.2Å; S522-K524 PolarHBondContact OG-N 2.85Å; K524-R526 VanDerWaalsContact C-N 3.33Å; K524-R526 PolarHBondContact O-N 2.87Å; K524-R526 VanDerWaalsContact O-N 3.16Å
525	K	87.2	Confident	95.2	Very high	143 Å²	143	43.5 Å²	43.5	62%	0.622	25%	0.252	S	S	*	.			trans	37.1	57.1	176.9	-58.9	-172.3	179.5	-178.8	0	113.2	I465 S522 K527	I465-K525 HydrophobicContact CD1-CB 4.27Å; I465-K525 WeakPolarHBondContact CD1-O 3.45Å; S522-K525 WeakPolarHBondContact O-CG 3.45Å; S522-K525 PolarHBondContact O-N 2.68Å; K525-K527 PolarHBondContact O-N 3.33Å
526	R	91.4	Very high	95.3	Very high	59 Å²	59	42.1 Å²	42.1	22%	0.223	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-60.2	125.2	179.6	-69.8	-68.7	179.7	96.2	-19.1	109.7	H416 Y510 K511 D520 K524	H416-R526 PolarHBondContact CE1-NH2 3.44Å; H416-R526 PolarHBondContact NE2-NH2 3.39Å; Y510-R526 PolarHBondContact OH-NH1 2.95Å; K511-R526 HydrophobicContact CB-CB 4.07Å; K511-R526 HydrophobicContact CD-CB 4.13Å; K511-R526 HydrophobicContact CD-CG 4Å; D520-R526 HydrophobicContact CB-CB 4.3Å; D520-R526 VanDerWaalsContact OD2-CB 3.25Å; D520-R526 WeakPolarHBondContact OD2-CB 3.42Å; D520-R526 VanDerWaalsContact OD2-CG 3.32Å; D520-R526 WeakPolarHBondContact OD2-CG 3.33Å; D520-R526 PolarHBondContact OD2-N 2.68Å; K524-R526 VanDerWaalsContact C-N 3.33Å; K524-R526 PolarHBondContact O-N 2.87Å; K524-R526 VanDerWaalsContact O-N 3.16Å
527	K	95.2	Very high	95.2	Very high	45 Å²	45	41.8 Å²	41.8	20%	0.196	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-61.6	133.6	174.3	-169.8	169.9	69.2	180	0	109.3	I460 E461 M463 I465 V468 K525	I460-K527 WeakPolarHBondContact O-CE 3.29Å; I460-K527 PolarHBondContact O-NZ 2.97Å; E461-K527 PolarHBondContact O-NZ 2.84Å; M463-K527 VanDerWaalsContact O-CD 3.29Å; M463-K527 WeakPolarHBondContact O-CD 3.42Å; M463-K527 WeakPolarHBondContact O-CE 3.44Å; M463-K527 PolarHBondContact O-NZ 3.28Å; I465-K527 HydrophobicContact CB-CB 4.45Å; I465-K527 HydrophobicContact CB-CD 4.49Å; I465-K527 HydrophobicContact CB-CG 4.21Å; I465-K527 HydrophobicContact CD1-CB 4.38Å; I465-K527 HydrophobicContact CG1-CB 4.36Å; I465-K527 HydrophobicContact CG1-CG 4.28Å; V468-K527 HydrophobicContact CB-CG 4.25Å; V468-K527 HydrophobicContact CG1-CG 4.4Å; V468-K527 HydrophobicContact CG2-CD 3.95Å; V468-K527 HydrophobicContact CG2-CG 4.08Å; K525-K527 PolarHBondContact O-N 3.33Å
528	P	97.8	Very high	95.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-57	148	177.6	-26.4	34.6	0	0	0	112.8	V468 K469 I472 P508 Y510 Y519	V468-P528 HydrophobicContact CG1-CB 3.91Å; V468-P528 HydrophobicContact CG1-CG 3.98Å; K469-P528 HydrophobicContact CG-CG 4.48Å; I472-P528 HydrophobicContact CD1-CB 3.72Å; I472-P528 HydrophobicContact CD1-CG 3.86Å; P508-P528 HydrophobicContact CB-CB 3.75Å; P508-P528 HydrophobicContact CG-CB 4.17Å; Y510-P528 CarbonylContact O-C 3.52Å; Y510-P528 WeakPolarHBondContact O-CA 3.46Å; Y519-P528 HydrophobicContact CD1-CB 3.87Å; Y519-P528 HydrophobicContact CD1-CG 3.69Å; Y519-P528 HydrophobicContact CD2-CG 4.39Å; Y519-P528 HydrophobicContact CE1-CB 3.8Å; Y519-P528 HydrophobicContact CE1-CG 4.1Å; Y519-P528 HydrophobicContact CG-CB 4.46Å; Y519-P528 HydrophobicContact CG-CG 3.85Å
529	A	97.9	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-154.1	155	-179.6	0	0	0	0	0	112.2	R459 P508 T509 Y510 T531	R459-A529 HydrophobicContact CB-CB 4.39Å; P508-A529 CarbonylContact C-O 3.49Å; P508-A529 WeakPolarHBondContact CB-O 3.18Å; T509-A529 PolarHBondContact N-O 2.97Å; T509-A529 VanDerWaalsContact N-O 3.09Å; Y510-A529 PolarHBondContact N-O 3.41Å; Y510-A529 VanDerWaalsContact N-O 3.1Å; Y510-A529 PolarHBondContact O-N 3.34Å; A529-T531 HydrophobicContact CB-CG2 4.18Å; A529-T531 PolarHBondContact O-N 3.44Å
530	W	98.4	Very high	93.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.			trans	-91.9	83.9	165.4	-66.4	-78.4	0	0	0	109.5	I460 Y477 L480 W481 L504 F506 P507 P508 R533	I460-W530 HydrophobicContact CD1-CE3 4.39Å; I460-W530 HydrophobicContact CD1-CZ3 4.38Å; I460-W530 HydrophobicContact CG1-CE3 4.5Å; Y477-W530 HydrophobicContact CD1-CZ2 4.16Å; Y477-W530 HydrophobicContact CG-CZ2 4.34Å; L480-W530 HydrophobicContact CB-CH2 3.54Å; L480-W530 HydrophobicContact CB-CZ3 3.49Å; L480-W530 VanDerWaalsContact CB-CZ3 3.49Å; L480-W530 HydrophobicContact CD1-CH2 4.04Å; L480-W530 HydrophobicContact CD1-CZ3 4.48Å; L480-W530 HydrophobicContact CG-CH2 4.39Å; W481-W530 HydrophobicContact CB-CZ3 4.43Å; L504-W530 HydrophobicContact CB-CZ2 4.06Å; L504-W530 HydrophobicContact CD1-CB 3.76Å; L504-W530 HydrophobicContact CD1-CD2 3.42Å; L504-W530 VanDerWaalsContact CD1-CD2 3.42Å; L504-W530 HydrophobicContact CD1-CE3 3.88Å; L504-W530 HydrophobicContact CD1-CG 3.39Å; L504-W530 HydrophobicContact CD1-CZ2 4.36Å; L504-W530 HydrophobicContact CD1-CZ3 4.48Å; F506-W530 AromaticContact CE2-CD1 4Å; F506-W530 WeakPolarHBondContact O-CZ2 3.24Å; F506-W530 PolarHBondContact O-NE1 2.91Å; P507-W530 VanDerWaalsContact C-NE1 3.29Å; P507-W530 PolarHBondContact O-NE1 2.85Å; P508-W530 HydrophobicContact CG-CD2 4.18Å; P508-W530 HydrophobicContact CG-CZ2 4.22Å; W530-R533 WeakPolarHBondContact O-CD 3.31Å; W530-R533 PolarHBondContact O-NH1 3.46Å
531	T	98.5	Very high	91.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.			trans	-77.5	-32.6	176.5	40.5	0	0	0	0	112.2	D455 L456 N457 T509 Y510 A529 H579	D455-T531 CarbonylContact C-O 3.56Å; D455-T531 WeakPolarHBondContact OD1-CB 3.37Å; L456-T531 PolarHBondContact N-O 3.16Å; N457-T531 PolarHBondContact N-O 3.27Å; T509-T531 PolarHBondContact OG1-N 3.1Å; T509-T531 PolarHBondContact OG1-OG1 2.88Å; Y510-T531 WeakPolarHBondContact CB-OG1 3.23Å; Y510-T531 HydrophobicContact CD1-CG2 3.9Å; Y510-T531 HydrophobicContact CG-CG2 4.07Å; A529-T531 HydrophobicContact CB-CG2 4.18Å; A529-T531 PolarHBondContact O-N 3.44Å; T531-H579 PolarHBondContact OG1-CE1 3.15Å; T531-H579 PolarHBondContact OG1-ND1 3.12Å
532	D	98.8	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.6	-171.8	-49.2	-104.8	0	0	0	109.1	T283 G454 T509 H579 V582	T283-D532 HydrophobicContact CG2-CB 4.28Å; G454-D532 WeakPolarHBondContact O-CA 3.45Å; T509-D532 WeakPolarHBondContact CB-OD2 3.43Å; T509-D532 HydrophobicContact CG2-CB 4.38Å; T509-D532 PolarHBondContact OG1-N 3.07Å; T509-D532 PolarHBondContact OG1-OD2 2.79Å; D532-H579 IonicContact OD1-CG 2.87Å; D532-H579 IonicContact OD1-ND1 2.62Å; D532-H579 PolarHBondContact OD1-ND1 2.85Å; D532-H579 VanDerWaalsContact OD1-ND1 3.16Å; D532-H579 IonicContact OD2-CE1 2.64Å; D532-H579 IonicContact OD2-CG 3.98Å; D532-H579 IonicContact OD2-ND1 3.31Å; D532-H579 PolarHBondContact OD2-ND1 2.85Å; D532-V582 HydrophobicContact CB-CB 4.4Å; D532-V582 HydrophobicContact CB-CG2 3.8Å
533	R	98.6	Very high	87.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.8	-164.4	-52.4	-66.6	-86.3	-93.7	-3.8	112.8	F453 G454 L456 W481 D484 L486 E501 W530 L535	F453-R533 WeakPolarHBondContact CA-O 3.4Å; F453-R533 VanDerWaalsContact CB-O 3.23Å; F453-R533 WeakPolarHBondContact CB-O 3.3Å; G454-R533 PolarHBondContact N-O 2.62Å; G454-R533 VanDerWaalsContact N-O 3.14Å; G454-R533 PolarHBondContact O-N 2.94Å; L456-R533 HydrophobicContact CB-CG 4.41Å; L456-R533 HydrophobicContact CD1-CB 3.75Å; L456-R533 HydrophobicContact CD1-CG 4.24Å; L456-R533 HydrophobicContact CG-CB 4.08Å; L456-R533 HydrophobicContact CG-CG 4.39Å; W481-R533 VanDerWaalsContact CZ3-NH2 3.26Å; D484-R533 VanDerWaalsContact CG-NH1 3.26Å; D484-R533 IonicContact OD1-NH1 2.61Å; D484-R533 PolarHBondContact OD1-NH1 2.96Å; D484-R533 IonicContact OD2-CZ 2.76Å; D484-R533 VanDerWaalsContact OD2-CZ 3.31Å; D484-R533 IonicContact OD2-NH1 3.77Å; D484-R533 PolarHBondContact OD2-NH1 3.03Å; D484-R533 IonicContact OD2-NH2 3.66Å; D484-R533 PolarHBondContact OD2-NH2 3.19Å; L486-R533 HydrophobicContact CD2-CG 4.29Å; E501-R533 IonicContact OE1-CZ 3.83Å; E501-R533 IonicContact OE1-NE 3.76Å; E501-R533 PolarHBondContact OE1-NE 2.74Å; E501-R533 IonicContact OE1-NH2 3.26Å; E501-R533 IonicContact OE2-CZ 3.42Å; E501-R533 IonicContact OE2-NE 2.69Å; E501-R533 IonicContact OE2-NH2 3.97Å; E501-R533 PolarHBondContact OE2-NH2 3.04Å; W530-R533 WeakPolarHBondContact O-CD 3.31Å; W530-R533 PolarHBondContact O-NH1 3.46Å; R533-L535 HydrophobicContact CB-CD1 3.98Å
534	I	98.8	Very high	84.9	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	114.1	174.8	-53.3	174.2	0	0	0	109.7	I281 T283 F453 Y568 V582 F586	I281-I534 HydrophobicContact CB-CD1 4.33Å; I281-I534 HydrophobicContact CB-CG2 4.3Å; I281-I534 HydrophobicContact CG2-CD1 4.16Å; I281-I534 HydrophobicContact CG2-CG1 4.5Å; I281-I534 HydrophobicContact CG2-CG2 4.09Å; I281-I534 WeakPolarHBondContact O-CD1 3.46Å; T283-I534 HydrophobicContact CG2-CD1 4.4Å; T283-I534 HydrophobicContact CG2-CG1 4Å; F453-I534 HydrophobicContact CB-CB 4.26Å; F453-I534 HydrophobicContact CB-CG1 3.97Å; F453-I534 HydrophobicContact CB-CG2 4.26Å; I534-Y568 HydrophobicContact CB-CE2 3.9Å; I534-Y568 HydrophobicContact CD1-CE2 4.32Å; I534-Y568 HydrophobicContact CG1-CE2 4.15Å; I534-Y568 PolarHBondContact N-OH 2.87Å; I534-V582 HydrophobicContact CD1-CG1 4.1Å; I534-V582 HydrophobicContact CG1-CG1 4.35Å; I534-F586 HydrophobicContact CG2-CE2 3.98Å; I534-F586 HydrophobicContact CG2-CZ 3.99Å
535	L	98.6	Very high	82.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	158.3	179	-60.9	93.8	0	0	0	110.6	F451 W452 L456 L486 F499 Q500 E501 R533	F451-L535 WeakPolarHBondContact CA-O 3.49Å; W452-L535 HydrophobicContact CE3-CB 4.37Å; W452-L535 HydrophobicContact CE3-CD1 4.11Å; W452-L535 HydrophobicContact CE3-CD2 4.34Å; W452-L535 HydrophobicContact CZ3-CD1 4.38Å; W452-L535 HydrophobicContact CZ3-CD2 4.31Å; W452-L535 PolarHBondContact N-O 2.84Å; W452-L535 PolarHBondContact O-N 2.99Å; L456-L535 HydrophobicContact CD1-CD1 3.64Å; L486-L535 HydrophobicContact CD2-CD1 3.95Å; L486-L535 HydrophobicContact CD2-CD2 4.18Å; F499-L535 HydrophobicContact CB-CD2 4.32Å; F499-L535 HydrophobicContact CD1-CB 4.19Å; Q500-L535 VanDerWaalsContact O-CA 3.24Å; Q500-L535 WeakPolarHBondContact O-CA 3.48Å; Q500-L535 WeakPolarHBondContact O-CB 3.36Å; E501-L535 HydrophobicContact CB-CD2 4.02Å; E501-L535 HydrophobicContact CB-CG 3.98Å; E501-L535 HydrophobicContact CG-CG 4.1Å; R533-L535 HydrophobicContact CB-CD1 3.98Å
536	W	98.4	Very high	80.2	Confident	19 Å²	19	48.6 Å²	48.6	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.5	172.7	73.8	100	0	0	0	112	V450 F451 F499 Q500 V563 Q565 F586	V450-W536 CarbonylContact O-C 3.57Å; V450-W536 VanDerWaalsContact O-CA 3.23Å; V450-W536 WeakPolarHBondContact O-CA 3.36Å; F451-W536 HydrophobicContact CD1-CB 3.55Å; F451-W536 HydrophobicContact CE1-CB 3.53Å; F451-W536 HydrophobicContact CE1-CG 4.31Å; F451-W536 HydrophobicContact CG-CB 4.44Å; F451-W536 HydrophobicContact CZ-CB 4.4Å; F499-W536 CarbonylContact C-O 3.59Å; F499-W536 WeakPolarHBondContact CA-O 3.23Å; Q500-W536 HydrophobicContact CB-CD2 3.94Å; Q500-W536 HydrophobicContact CB-CE3 4.3Å; Q500-W536 HydrophobicContact CB-CH2 4.02Å; Q500-W536 HydrophobicContact CB-CZ2 3.61Å; Q500-W536 HydrophobicContact CB-CZ3 4.34Å; Q500-W536 PolarHBondContact N-O 2.75Å; Q500-W536 PolarHBondContact O-N 2.96Å; W536-V563 HydrophobicContact CG-CG1 4.12Å; W536-Q565 HydrophobicContact CH2-CB 4.11Å; W536-Q565 HydrophobicContact CZ3-CB 4.38Å; W536-Q565 VanDerWaalsContact CZ3-OE1 3.29Å; W536-F586 AromaticContact CD2-CE1 3.89Å; W536-F586 HydrophobicContact CD2-CE1 3.89Å; W536-F586 AromaticContact CE3-CE1 3.52Å; W536-F586 HydrophobicContact CE3-CE1 3.52Å; W536-F586 AromaticContact CE3-CZ 3.96Å; W536-F586 HydrophobicContact CE3-CZ 3.96Å; W536-F586 HydrophobicContact CG-CE1 4.43Å; W536-F586 AromaticContact CZ3-CE1 3.88Å; W536-F586 HydrophobicContact CZ3-CE1 3.88Å; W536-F586 HydrophobicContact CZ3-CZ 4.45Å
537	R	96.4	Very high	77.5	Confident	39 Å²	39	52.8 Å²	52.8	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.2	175.8	173.8	173.5	176	-80.9	7.5	109.4	L445 V450 E497 F499	L445-R537 PolarHBondContact O-NH1 2.91Å; V450-R537 HydrophobicContact CB-CB 4.45Å; V450-R537 PolarHBondContact N-O 3.18Å; V450-R537 PolarHBondContact O-N 3.37Å; E497-R537 WeakPolarHBondContact O-CD 3.15Å; E497-R537 PolarHBondContact O-NE 3.15Å; F499-R537 HydrophobicContact CD1-CB 3.64Å; F499-R537 HydrophobicContact CD2-CB 4.28Å; F499-R537 HydrophobicContact CE1-CB 3.71Å; F499-R537 HydrophobicContact CE2-CB 4.35Å; F499-R537 HydrophobicContact CG-CB 3.94Å; F499-R537 HydrophobicContact CZ-CB 4.08Å
538	L	94.7	Very high	74.7	Confident	43 Å²	43	56.9 Å²	56.9	23%	0.225	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.1	166.8	-73.3	175.7	0	0	0	109.8	D448 I449 A540 I561 V563	D448-L538 WeakPolarHBondContact O-CA 3.43Å; I449-L538 HydrophobicContact CG1-CD2 3.97Å; I449-L538 HydrophobicContact CG2-CD2 4.47Å; L538-A540 PolarHBondContact O-N 3.34Å; L538-I561 HydrophobicContact CD2-CB 4.43Å; L538-I561 HydrophobicContact CD2-CG2 3.94Å; L538-V563 HydrophobicContact CD2-CG2 3.86Å; L538-V563 HydrophobicContact CG-CG2 4.47Å
539	R	89.8	Confident	71.8	Confident	77 Å²	77	61.3 Å²	61.3	29%	0.291	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-64.5	116.7	172.9	-177.4	155.2	67.9	164.6	6.1	110.3	G440 D446 D448 T541	G440-R539 PolarHBondContact O-NH1 3.26Å; D446-R539 WeakPolarHBondContact O-CD 3.48Å; D446-R539 PolarHBondContact O-NH1 2.88Å; D448-R539 PolarHBondContact O-N 3.48Å; D448-R539 IonicContact OD1-CZ 3.79Å; D448-R539 IonicContact OD1-NE 3.26Å; D448-R539 PolarHBondContact OD1-NE 3.04Å; D448-R539 VanDerWaalsContact OD1-NE 3.1Å; D448-R539 IonicContact OD1-NH2 3.97Å; D448-R539 PolarHBondContact OD1-NH2 2.96Å; D448-R539 IonicContact OD2-NH2 2.72Å; R539-T541 PolarHBondContact O-N 3.26Å
540	A	72.3	Confident	69.3	Low	83 Å²	83	71.4 Å²	71.4	69%	0.686	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-60	124.9	172.9	0	0	0	0	0	110.2	L538 A542	L538-A540 PolarHBondContact O-N 3.34Å; A540-A542 PolarHBondContact O-N 3.49Å
541	T	59.4	Low	66.3	Low	72 Å²	72	83 Å²	83	44%	0.442	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-69.1	126.8	167.6	40.7	0	0	0	0	110	R539 A558	R539-T541 PolarHBondContact O-N 3.26Å; T541-A558 HydrophobicContact CG2-CB 3.8Å; T541-A558 VanDerWaalsContact CG2-O 3.24Å; T541-A558 WeakPolarHBondContact CG2-O 3.28Å
542	A	45	Very low	63.6	Low	87 Å²	87	90 Å²	90	72%	0.719	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-53.6	130.5	158.2	0	0	0	0	0	108.6	A540 A544	A540-A542 PolarHBondContact O-N 3.49Å; A542-A544 PolarHBondContact O-N 3.14Å
543	P	39.2	Very low	60.4	Low	122 Å²	122	94.7 Å²	94.7	79%	0.792	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-53.9	125.9	176.2	-26.9	35	0	0	0	109.9	A545	P543-A545 PolarHBondContact O-N 2.85Å
544	A	40.2	Very low	57.7	Low	96 Å²	96	101.7 Å²	101.7	79%	0.793	59%	0.594	S	S	*	*			trans	-62.3	102.3	-176.9	0	0	0	0	0	109.7	A542 Q546	A542-A544 PolarHBondContact O-N 3.14Å; A544-Q546 PolarHBondContact O-N 2.95Å
545	A	35	Very low	55	Low	97 Å²	97	106.6 Å²	106.6	80%	0.802	63%	0.628	S	S	*	*			trans	-59.9	109.8	179.9	0	0	0	0	0	109	P543 N547	P543-A545 PolarHBondContact O-N 2.85Å; A545-N547 VanDerWaalsContact C-N 3.3Å; A545-N547 PolarHBondContact O-N 2.59Å
546	Q	39.9	Very low	52.1	Low	182 Å²	182	110.2 Å²	110.2	85%	0.85	67%	0.665	S	S	*	*			trans	-66.9	89.1	175.8	-69.3	178.3	-19.4	0	0	109.1	A544	A544-Q546 PolarHBondContact O-N 2.95Å
547	N	33.7	Very low	49.5	Very low	146 Å²	146	114.7 Å²	114.7	78%	0.781	69%	0.69	S	S	*	*			trans	177.6	137.7	130	-98.7	-62.9	0	0	0	115.3	A545	A545-N547 VanDerWaalsContact C-N 3.3Å; A545-N547 PolarHBondContact O-N 2.59Å
548	V	37.7	Very low	47.1	Very low	131 Å²	131	114.7 Å²	114.7	79%	0.794	70%	0.698	S	S	*	*			trans	76.8	137.4	144	173.5	0	0	0	0	120.9
549	A	37.1	Very low	45.4	Very low	93 Å²	93	115.7 Å²	115.7	77%	0.769	71%	0.709	S	S	*	*			trans	80.8	109.1	162.8	0	0	0	0	0	119.6	R551	A549-R551 PolarHBondContact O-N 2.64Å
550	K	45.3	Very low	44.7	Very low	213 Å²	213	114 Å²	114	93%	0.926	72%	0.715	S	S	*	*			trans	-59.4	121.6	167.5	-65.9	176.2	176.3	179.3	0	112.2
551	R	34.1	Very low	45.5	Very low	244 Å²	244	110.5 Å²	110.5	92%	0.921	69%	0.685	S	S	*	*			trans	-144.3	139.9	142.5	-98.7	-178.6	-179.6	166.8	0.8	109	A549 S553	A549-R551 PolarHBondContact O-N 2.64Å; R551-S553 PolarHBondContact O-N 3.31Å
552	V	42	Very low	47.1	Very low	147 Å²	147	114 Å²	114	89%	0.891	69%	0.69	S	S	*	*			trans	-72.6	115.9	179.3	179.2	0	0	0	0	108.8
553	S	32.5	Very low	49.5	Very low	97 Å²	97	110.8 Å²	110.8	68%	0.678	66%	0.662	S	S	*	*			trans	-138.6	124	170.9	-176.9	0	0	0	0	107.6	R551 S555	R551-S553 PolarHBondContact O-N 3.31Å; S553-S555 PolarHBondContact O-N 3.03Å
554	V	42.6	Very low	52.2	Low	148 Å²	148	107.4 Å²	107.4	90%	0.897	64%	0.638	S	S	*	*	S	Bend	trans	-88.2	42.3	-171.1	-158.3	0	0	0	0	111
555	S	41.2	Very low	54.9	Low	103 Å²	103	104.8 Å²	104.8	72%	0.72	61%	0.61	S	S	*	*			trans	-144.9	69.8	-174.3	-165	0	0	0	0	110.2	S553	S553-S555 PolarHBondContact O-N 3.03Å
556	G	36.9	Very low	57.6	Low	75 Å²	75	104.3 Å²	104.3	77%	0.773	59%	0.591	S	S	*	*			trans	-177.5	38.7	-173.1	0	0	0	0	0	113.2
557	L	44.8	Very low	60.1	Low	113 Å²	113	101.2 Å²	101.2	59%	0.592	58%	0.575	S	S	*	*			trans	-131.6	15.5	-172.2	-126.5	165.9	0	0	0	113.9	Y592	L557-Y592 HydrophobicContact CB-CE1 4.34Å; L557-Y592 HydrophobicContact CD1-CE1 4.41Å; L557-Y592 HydrophobicContact CD2-CD1 4.42Å
558	A	45.1	Very low	63.1	Low	39 Å²	39	95.5 Å²	95.5	32%	0.322	54%	0.542	S	S	.	.			trans	-73.1	146.9	151.1	0	0	0	0	0	108	T541	T541-A558 HydrophobicContact CG2-CB 3.8Å; T541-A558 VanDerWaalsContact CG2-O 3.24Å; T541-A558 WeakPolarHBondContact CG2-O 3.28Å
559	S	60.3	Low	65.9	Low	65 Å²	65	93.2 Å²	93.2	46%	0.455	52%	0.52	S	S	.	.			cis	-131.4	112.5	0.7	179.7	0	0	0	0	109.6
560	G	75.6	Confident	68.8	Low	40 Å²	40	89.5 Å²	89.5	41%	0.412	49%	0.488	S	S	.	.			trans	-121.7	13.6	159.9	0	0	0	0	0	111.9
561	I	89.1	Confident	71.3	Confident	11 Å²	11	79.4 Å²	79.4	6%	0.056	44%	0.444	C	S	.	.			trans	-76.7	132.7	177.1	-61.3	167.9	0	0	0	108.1	H404 D448 I449 L538 E589 P591	H404-I561 HydrophobicContact CB-CD1 4.34Å; D448-I561 HydrophobicContact CB-CD1 3.66Å; I449-I561 HydrophobicContact CD1-CG2 3.8Å; I449-I561 HydrophobicContact CG1-CG2 4.07Å; L538-I561 HydrophobicContact CD2-CB 4.43Å; L538-I561 HydrophobicContact CD2-CG2 3.94Å; I561-E589 WeakPolarHBondContact CA-O 3.46Å; I561-P591 VanDerWaalsContact CG1-CD 3.48Å; I561-P591 HydrophobicContact CG1-CG 4.07Å
562	R	91.9	Very high	74.2	Confident	145 Å²	145	70 Å²	70	55%	0.547	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.1	174.6	-53.6	170.3	59.6	-155.8	-2.1	109.4	E589	R562-E589 HydrophobicContact CB-CB 4.03Å; R562-E589 HydrophobicContact CB-CG 4.19Å; R562-E589 WeakPolarHBondContact CB-OE2 3.45Å; R562-E589 WeakPolarHBondContact CD-OE1 3.24Å; R562-E589 IonicContact CZ-OE1 3.83Å; R562-E589 VanDerWaalsContact CZ-OE1 3.31Å; R562-E589 IonicContact CZ-OE2 3.83Å; R562-E589 PolarHBondContact N-O 3.42Å; R562-E589 IonicContact NE-OE1 3.88Å; R562-E589 IonicContact NE-OE2 3.75Å; R562-E589 PolarHBondContact NE-OE2 2.89Å; R562-E589 VanDerWaalsContact NH1-CD 3.31Å; R562-E589 IonicContact NH1-OE1 3.16Å; R562-E589 PolarHBondContact NH1-OE1 3.34Å; R562-E589 IonicContact NH1-OE2 3.07Å; R562-E589 PolarHBondContact NH1-OE2 2.94Å; R562-E589 IonicContact NH2-OE2 2.81Å; R562-E589 PolarHBondContact O-N 3.47Å
563	V	95.3	Very high	76.8	Confident	20 Å²	20	67.9 Å²	67.9	12%	0.121	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.2	176.5	176	0	0	0	0	107.2	I449 F451 W536 L538 F586 T587 L588	I449-V563 HydrophobicContact CD1-CG2 4.14Å; I449-V563 HydrophobicContact CG2-CG2 4.21Å; F451-V563 HydrophobicContact CE1-CG1 4.46Å; F451-V563 HydrophobicContact CZ-CG1 4.24Å; W536-V563 HydrophobicContact CG-CG1 4.12Å; L538-V563 HydrophobicContact CD2-CG2 3.86Å; L538-V563 HydrophobicContact CG-CG2 4.47Å; V563-F586 HydrophobicContact CG1-CB 4.44Å; V563-F586 HydrophobicContact CG1-CD1 3.8Å; V563-F586 HydrophobicContact CG1-CE1 4.49Å; V563-F586 HydrophobicContact CG1-CG 4.44Å; V563-T587 WeakPolarHBondContact CA-O 3.47Å; V563-L588 HydrophobicContact CG1-CD2 4.14Å; V563-L588 HydrophobicContact CG2-CD2 3.93Å
564	T	95.8	Very high	79.9	Confident	50 Å²	50	64 Å²	64	31%	0.307	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.4	-176.7	-65.3	0	0	0	0	108.6	F586 T587	T564-F586 CarbonylContact O-C 3.58Å; T564-F586 VanDerWaalsContact O-CA 3.31Å; T564-F586 WeakPolarHBondContact O-CA 3.48Å; T564-T587 PolarHBondContact N-O 3.35Å; T564-T587 PolarHBondContact O-N 3.3Å
565	Q	96.3	Very high	82.5	Confident	42 Å²	42	60 Å²	60	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119	175.8	-169.1	-179	35.2	0	0	110.2	W536 S584 F586	W536-Q565 HydrophobicContact CH2-CB 4.11Å; W536-Q565 HydrophobicContact CZ3-CB 4.38Å; W536-Q565 VanDerWaalsContact CZ3-OE1 3.29Å; Q565-S584 WeakPolarHBondContact CG-OG 3.49Å; Q565-S584 PolarHBondContact NE2-OG 3.4Å; Q565-F586 HydrophobicContact CB-CD1 3.73Å; Q565-F586 HydrophobicContact CB-CE1 3.69Å; Q565-F586 HydrophobicContact CG-CD1 3.91Å; Q565-F586 HydrophobicContact CG-CE1 3.58Å; Q565-F586 HydrophobicContact CG-CZ 4.2Å
566	H	92.8	Very high	85.1	Confident	87 Å²	87	57.7 Å²	57.7	40%	0.403	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-42.6	-177.4	-63	-69.7	0	0	0	112.6	I585 T587	H566-I585 PolarHBondContact N-O 3.26Å; H566-T587 WeakPolarHBondContact NE2-CB 3.35Å; H566-T587 PolarHBondContact NE2-OG1 3.49Å
567	F	92.1	Very high	88	Confident	117 Å²	117	54.2 Å²	54.2	51%	0.513	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.5	-177.4	-63.2	-76.9	0	0	0	109.9	S584 I585	F567-S584 WeakPolarHBondContact O-CA 3.45Å; F567-S584 PolarHBondContact O-OG 3.47Å; F567-I585 HydrophobicContact CB-CB 4.45Å; F567-I585 HydrophobicContact CD2-CB 4.22Å; F567-I585 HydrophobicContact CD2-CD1 4.07Å; F567-I585 PolarHBondContact O-N 3.21Å
568	Y	97.1	Very high	90.6	Very high	25 Å²	25	50.2 Å²	50.2	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	113.2	168.1	-169.4	-159	0	0	0	107.1	E501 G502 L504 F506 I534 V582	E501-Y568 HydrophobicContact CG-CE1 3.82Å; E501-Y568 PolarHBondContact OE1-OH 2.62Å; G502-Y568 WeakPolarHBondContact O-CE1 3.43Å; L504-Y568 HydrophobicContact CD2-CD1 3.91Å; L504-Y568 HydrophobicContact CD2-CE1 3.3Å; L504-Y568 HydrophobicContact CG-CE1 4.39Å; F506-Y568 WeakPolarHBondContact CD1-O 3.24Å; F506-Y568 HydrophobicContact CE1-CD1 4.25Å; F506-Y568 HydrophobicContact CE1-CD2 4.03Å; F506-Y568 HydrophobicContact CE1-CE2 4.33Å; F506-Y568 AromaticContact CE1-CG 3.98Å; F506-Y568 HydrophobicContact CE1-CG 3.98Å; F506-Y568 WeakPolarHBondContact CE1-O 3.29Å; F506-Y568 HydrophobicContact CZ-CD2 4.25Å; F506-Y568 HydrophobicContact CZ-CE2 4.13Å; I534-Y568 HydrophobicContact CB-CE2 3.9Å; I534-Y568 HydrophobicContact CD1-CE2 4.32Å; I534-Y568 HydrophobicContact CG1-CE2 4.15Å; I534-Y568 PolarHBondContact N-OH 2.87Å; Y568-V582 HydrophobicContact CD2-CG1 4.07Å; Y568-V582 HydrophobicContact CE2-CG1 3.56Å
569	R	96.4	Very high	93.1	Very high	83 Å²	83	48.6 Å²	48.6	31%	0.313	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.1	-168.4	59.7	177.9	174.7	178.4	-0.1	112.5	H571 V582 S583	R569-H571 PolarHBondContact NE-CE1 3.38Å; R569-V582 CarbonylContact O-C 3.54Å; R569-V582 WeakPolarHBondContact O-CA 3.34Å; R569-S583 PolarHBondContact N-O 3.35Å; R569-S583 PolarHBondContact O-N 3.14Å
570	S	97.6	Very high	94.9	Very high	15 Å²	15	45.5 Å²	45.5	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	154.2	156.9	61	0	0	0	0	110.9	F506 P581	F506-S570 VanDerWaalsContact CD2-CB 3.48Å; F506-S570 VanDerWaalsContact CD2-OG 3.29Å; F506-S570 WeakPolarHBondContact CD2-OG 3.18Å; S570-P581 CarbonylContact C-O 3.56Å; S570-P581 VanDerWaalsContact CA-O 3.26Å; S570-P581 WeakPolarHBondContact CA-O 3.17Å
571	H	97.3	Very high	96	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	20%	0.204	C	C	.	.			trans	-110.4	94.8	179.2	-59.5	-109.9	0	0	0	109.1	R569 E573 Y574 P581 S583	R569-H571 PolarHBondContact NE-CE1 3.38Å; H571-E573 VanDerWaalsContact C-N 3.28Å; H571-E573 VanDerWaalsContact CA-OE2 3.22Å; H571-E573 WeakPolarHBondContact CA-OE2 3.36Å; H571-E573 WeakPolarHBondContact CB-OE2 3.1Å; H571-E573 IonicContact ND1-OE1 2.87Å; H571-E573 PolarHBondContact O-N 3.21Å; H571-Y574 HydrophobicContact CB-CD2 3.69Å; H571-Y574 HydrophobicContact CB-CE2 4.1Å; H571-P581 HydrophobicContact CB-CB 4.48Å; H571-P581 HydrophobicContact CB-CG 4.12Å; H571-P581 PolarHBondContact N-O 3.12Å; H571-S583 WeakPolarHBondContact NE2-CB 3.22Å; H571-S583 PolarHBondContact NE2-OG 2.83Å
572	M	96.6	Very high	96.5	Very high	47 Å²	47	43 Å²	43	23%	0.232	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.3	-171.3	-64.1	-60.9	-58.5	0	0	113.8	P507 F512 N517 Y574 K580	P507-M572 HydrophobicContact CG-SD 4.15Å; F512-M572 HydrophobicContact CE1-CE 3.97Å; F512-M572 HydrophobicContact CZ-CE 3.7Å; N517-M572 HydrophobicContact CB-CE 4.24Å; N517-M572 PolarHBondContact ND2-O 2.94Å; N517-M572 PolarHBondContact OD1-O 3.28Å; M572-Y574 VanDerWaalsContact C-N 3.28Å; M572-Y574 PolarHBondContact O-N 3.46Å; M572-K580 HydrophobicContact CE-CD 4.49Å; M572-K580 HydrophobicContact CE-CG 4.31Å; M572-K580 HydrophobicContact SD-CB 4.39Å; M572-K580 HydrophobicContact SD-CD 4.4Å; M572-K580 HydrophobicContact SD-CG 3.9Å
573	E	95.7	Very high	96.8	Very high	101 Å²	101	36.1 Å²	36.1	47%	0.472	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.4	175.9	63.2	-90.2	-133.8	0	0	113.1	T297 H571 L575	T297-E573 VanDerWaalsContact CG2-OE1 3.31Å; T297-E573 WeakPolarHBondContact CG2-OE1 3.42Å; H571-E573 VanDerWaalsContact C-N 3.28Å; H571-E573 VanDerWaalsContact CA-OE2 3.22Å; H571-E573 WeakPolarHBondContact CA-OE2 3.36Å; H571-E573 WeakPolarHBondContact CB-OE2 3.1Å; H571-E573 IonicContact ND1-OE1 2.87Å; H571-E573 PolarHBondContact O-N 3.21Å; E573-L575 PolarHBondContact O-N 3.27Å
574	Y	96.9	Very high	96.9	Very high	17 Å²	17	35.2 Å²	35.2	7%	0.067	17%	0.17	C	C	.	.			trans	-85.8	114.6	-180	-69.6	-77.6	0	0	0	111.5	W284 P292 D294 L298 H571 M572 K580 P581	W284-Y574 AromaticContact CH2-CD1 3.79Å; W284-Y574 HydrophobicContact CH2-CD1 3.79Å; W284-Y574 AromaticContact CH2-CG 3.92Å; W284-Y574 HydrophobicContact CH2-CG 3.92Å; W284-Y574 HydrophobicContact CZ2-CG 4.48Å; W284-Y574 HydrophobicContact CZ3-CD1 4.25Å; W284-Y574 HydrophobicContact CZ3-CG 4.42Å; P292-Y574 HydrophobicContact CB-CE1 4.46Å; P292-Y574 HydrophobicContact CG-CD1 3.85Å; P292-Y574 HydrophobicContact CG-CE1 4.05Å; D294-Y574 WeakPolarHBondContact O-CE1 3.4Å; D294-Y574 PolarHBondContact O-OH 3.03Å; L298-Y574 HydrophobicContact CB-CE2 3.71Å; L298-Y574 PolarHBondContact N-OH 2.97Å; H571-Y574 HydrophobicContact CB-CD2 3.69Å; H571-Y574 HydrophobicContact CB-CE2 4.1Å; M572-Y574 VanDerWaalsContact C-N 3.28Å; M572-Y574 PolarHBondContact O-N 3.46Å; Y574-K580 VanDerWaalsContact O-CD 3.29Å; Y574-K580 WeakPolarHBondContact O-CD 3.48Å; Y574-K580 PolarHBondContact O-NZ 2.97Å; Y574-P581 HydrophobicContact CD2-CG 3.8Å; Y574-P581 HydrophobicContact CG-CG 3.89Å
575	L	97.3	Very high	96.9	Very high	63 Å²	63	33.5 Å²	33.5	33%	0.33	16%	0.159	S	C	.	.			trans	-109.9	-2.8	-170.5	-48.9	-174.2	0	0	0	114.6	G515 N517 E573 S577	G515-L575 WeakPolarHBondContact CA-O 3.37Å; G515-L575 PolarHBondContact N-O 3.13Å; N517-L575 WeakPolarHBondContact OD1-CD2 3.09Å; E573-L575 PolarHBondContact O-N 3.27Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 3.33Å
576	V	96.8	Very high	96.9	Very high	54 Å²	54	31.5 Å²	31.5	33%	0.327	15%	0.149	S	C	.	.	S	Bend	trans	-73.8	-13.5	-171.4	-60.5	0	0	0	0	115.1	W284 A289 P292	W284-V576 HydrophobicContact CH2-CG2 3.6Å; W284-V576 HydrophobicContact CZ2-CG2 3.54Å; A289-V576 HydrophobicContact CB-CB 4.13Å; A289-V576 HydrophobicContact CB-CG2 4.2Å; P292-V576 HydrophobicContact CG-CG1 4.26Å; P292-V576 HydrophobicContact CG-CG2 4.17Å
577	S	97.9	Very high	97.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	13%	0.131	C	C	.	.	S	Bend	trans	-126.4	161.7	-179.2	177	0	0	0	0	110.9	N285 L575 H579	N285-S577 WeakPolarHBondContact O-CB 3.29Å; N285-S577 PolarHBondContact O-OG 3.03Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 3.33Å; S577-H579 WeakPolarHBondContact CB-O 3.18Å; S577-H579 PolarHBondContact OG-N 2.76Å; S577-H579 VanDerWaalsContact OG-N 3.1Å
578	D	97.9	Very high	97.2	Very high	29 Å²	29	22 Å²	22	16%	0.155	11%	0.107	C	C	.	.	S	Bend	trans	-80	-3.5	168.2	66.7	-38.5	0	0	0	113.5	K511 F512 V514	K511-D578 HydrophobicContact CG-CB 4.1Å; K511-D578 VanDerWaalsContact NZ-CB 3.28Å; K511-D578 VanDerWaalsContact NZ-CG 3.35Å; K511-D578 IonicContact NZ-OD2 3.36Å; K511-D578 PolarHBondContact NZ-OD2 2.97Å; F512-D578 PolarHBondContact N-O 3.49Å; F512-D578 WeakPolarHBondContact O-CB 3.34Å; V514-D578 HydrophobicContact CG2-CB 4.07Å
579	H	98.7	Very high	97	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.023	11%	0.112	C	C	.	.	S	Bend	trans	-107.9	149.4	163.7	-68.8	-119.4	0	0	0	111.5	W284 N285 D455 T509 Y510 T531 D532 S577	W284-H579 PolarHBondContact NE1-O 3.46Å; N285-H579 HydrophobicContact CB-CB 4Å; N285-H579 PolarHBondContact ND2-NE2 3.21Å; N285-H579 WeakPolarHBondContact O-CB 3.37Å; D455-H579 IonicContact OD2-CE1 2.82Å; D455-H579 PolarHBondContact OD2-CE1 3.03Å; D455-H579 VanDerWaalsContact OD2-CE1 3.26Å; D455-H579 IonicContact OD2-NE2 3.19Å; T509-H579 WeakPolarHBondContact O-CA 3.39Å; Y510-H579 AromaticContact CD2-CD2 3.53Å; Y510-H579 AromaticContact CD2-CE1 3.53Å; Y510-H579 AromaticContact CD2-NE2 3.17Å; Y510-H579 WeakPolarHBondContact CD2-NE2 3.34Å; Y510-H579 AromaticContact CE2-NE2 3.46Å; Y510-H579 WeakPolarHBondContact CE2-NE2 3.21Å; T531-H579 PolarHBondContact OG1-CE1 3.15Å; T531-H579 PolarHBondContact OG1-ND1 3.12Å; D532-H579 IonicContact OD1-CG 2.87Å; D532-H579 IonicContact OD1-ND1 2.62Å; D532-H579 PolarHBondContact OD1-ND1 2.85Å; D532-H579 VanDerWaalsContact OD1-ND1 3.16Å; D532-H579 IonicContact OD2-CE1 2.64Å; D532-H579 IonicContact OD2-CG 3.98Å; D532-H579 IonicContact OD2-ND1 3.31Å; D532-H579 PolarHBondContact OD2-ND1 2.85Å; S577-H579 WeakPolarHBondContact CB-O 3.18Å; S577-H579 PolarHBondContact OG-N 2.76Å; S577-H579 VanDerWaalsContact OG-N 3.1Å
580	K	98.4	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.			trans	-97.6	138	172.5	-56.1	-67.2	163	174.4	0	110.7	T509 F512 T516 N517 M572 Y574	T509-K580 PolarHBondContact O-N 2.99Å; F512-K580 HydrophobicContact CD2-CD 4.21Å; F512-K580 VanDerWaalsContact CD2-CE 3.45Å; F512-K580 HydrophobicContact CD2-CG 3.71Å; F512-K580 HydrophobicContact CE2-CD 4.24Å; F512-K580 HydrophobicContact CE2-CG 3.39Å; F512-K580 HydrophobicContact CZ-CG 4.07Å; T516-K580 PolarHBondContact O-NZ 3.39Å; N517-K580 WeakPolarHBondContact OD1-CE 3.46Å; N517-K580 PolarHBondContact OD1-NZ 3.27Å; M572-K580 HydrophobicContact CE-CD 4.49Å; M572-K580 HydrophobicContact CE-CG 4.31Å; M572-K580 HydrophobicContact SD-CB 4.39Å; M572-K580 HydrophobicContact SD-CD 4.4Å; M572-K580 HydrophobicContact SD-CG 3.9Å; Y574-K580 VanDerWaalsContact O-CD 3.29Å; Y574-K580 WeakPolarHBondContact O-CD 3.48Å; Y574-K580 PolarHBondContact O-NZ 2.97Å
581	P	98.6	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.			trans	-59.4	141.7	175.3	2.1	1.3	0	0	0	110.6	W284 L298 S570 H571 Y574	W284-P581 HydrophobicContact CB-CB 4Å; W284-P581 HydrophobicContact CD2-CB 3.71Å; W284-P581 HydrophobicContact CD2-CG 3.54Å; W284-P581 HydrophobicContact CE3-CB 3.93Å; W284-P581 HydrophobicContact CE3-CG 3.72Å; W284-P581 HydrophobicContact CG-CB 3.73Å; W284-P581 HydrophobicContact CG-CG 4.02Å; W284-P581 HydrophobicContact CH2-CG 4.04Å; W284-P581 HydrophobicContact CZ2-CG 3.89Å; W284-P581 HydrophobicContact CZ3-CG 3.94Å; L298-P581 HydrophobicContact CD1-CB 3.69Å; L298-P581 HydrophobicContact CD1-CG 4.3Å; L298-P581 HydrophobicContact CD2-CB 4.13Å; L298-P581 HydrophobicContact CD2-CG 4.33Å; S570-P581 CarbonylContact C-O 3.56Å; S570-P581 VanDerWaalsContact CA-O 3.26Å; S570-P581 WeakPolarHBondContact CA-O 3.17Å; H571-P581 HydrophobicContact CB-CB 4.48Å; H571-P581 HydrophobicContact CB-CG 4.12Å; H571-P581 PolarHBondContact N-O 3.12Å; Y574-P581 HydrophobicContact CD2-CG 3.8Å; Y574-P581 HydrophobicContact CG-CG 3.89Å
582	V	98.8	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.7	173.4	174	0	0	0	0	108.7	I282 T283 F506 T509 D532 I534 Y568 R569	I282-V582 CarbonylContact C-O 3.52Å; I282-V582 WeakPolarHBondContact CA-O 3.36Å; T283-V582 HydrophobicContact CG2-CB 3.93Å; T283-V582 HydrophobicContact CG2-CG1 4.45Å; T283-V582 PolarHBondContact N-O 3.18Å; T283-V582 PolarHBondContact O-N 3.04Å; F506-V582 HydrophobicContact CE2-CG1 4.48Å; F506-V582 HydrophobicContact CE2-CG2 4.04Å; F506-V582 HydrophobicContact CZ-CG1 3.92Å; F506-V582 HydrophobicContact CZ-CG2 4.29Å; T509-V582 HydrophobicContact CG2-CG2 3.37Å; D532-V582 HydrophobicContact CB-CB 4.4Å; D532-V582 HydrophobicContact CB-CG2 3.8Å; I534-V582 HydrophobicContact CD1-CG1 4.1Å; I534-V582 HydrophobicContact CG1-CG1 4.35Å; Y568-V582 HydrophobicContact CD2-CG1 4.07Å; Y568-V582 HydrophobicContact CE2-CG1 3.56Å; R569-V582 CarbonylContact O-C 3.54Å; R569-V582 WeakPolarHBondContact O-CA 3.34Å
583	S	98.2	Very high	95.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.1	173.6	80.8	0	0	0	0	113.3	H280 I281 R569 H571	H280-S583 WeakPolarHBondContact NE2-CB 3.43Å; H280-S583 PolarHBondContact NE2-OG 2.88Å; I281-S583 CarbonylContact O-C 3.53Å; I281-S583 WeakPolarHBondContact O-CA 3.4Å; I281-S583 WeakPolarHBondContact O-CB 3.38Å; R569-S583 PolarHBondContact N-O 3.35Å; R569-S583 PolarHBondContact O-N 3.14Å; H571-S583 WeakPolarHBondContact NE2-CB 3.22Å; H571-S583 PolarHBondContact NE2-OG 2.83Å
584	S	97.8	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.4	175.1	-178.8	0	0	0	0	110.9	H280 I281 Q565 F567 F586	H280-S584 CarbonylContact C-O 3.5Å; H280-S584 WeakPolarHBondContact CA-O 3.49Å; H280-S584 PolarHBondContact CD2-O 2.76Å; I281-S584 PolarHBondContact N-O 2.97Å; I281-S584 PolarHBondContact O-N 3Å; Q565-S584 WeakPolarHBondContact CG-OG 3.49Å; Q565-S584 PolarHBondContact NE2-OG 3.4Å; F567-S584 WeakPolarHBondContact O-CA 3.45Å; F567-S584 PolarHBondContact O-OG 3.47Å; S584-F586 WeakPolarHBondContact OG-CE2 3.09Å; S584-F586 WeakPolarHBondContact OG-CZ 3.45Å
585	I	96.1	Very high	94.6	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.077	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.7	173.4	-61.1	177	0	0	0	108.5	V279 H280 H566 F567	V279-I585 WeakPolarHBondContact O-CA 3.49Å; H280-I585 HydrophobicContact CB-CG1 4.12Å; H566-I585 PolarHBondContact N-O 3.26Å; F567-I585 HydrophobicContact CB-CB 4.45Å; F567-I585 HydrophobicContact CD2-CB 4.22Å; F567-I585 HydrophobicContact CD2-CD1 4.07Å; F567-I585 PolarHBondContact O-N 3.21Å
586	F	97	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.1	179.3	-57.6	-88.6	0	0	0	110.6	R278 V279 I281 F451 I534 W536 V563 T564 Q565 S584 L588	R278-F586 CarbonylContact C-O 3.54Å; R278-F586 VanDerWaalsContact CA-O 3.25Å; R278-F586 WeakPolarHBondContact CA-O 3.47Å; V279-F586 PolarHBondContact N-O 3.29Å; V279-F586 PolarHBondContact O-N 2.75Å; I281-F586 HydrophobicContact CB-CE2 4.42Å; I281-F586 HydrophobicContact CD1-CD2 4.09Å; I281-F586 HydrophobicContact CD1-CE2 3.81Å; I281-F586 HydrophobicContact CG1-CD2 4.16Å; I281-F586 HydrophobicContact CG1-CE2 4.07Å; F451-F586 HydrophobicContact CD1-CD2 4.43Å; F451-F586 HydrophobicContact CD1-CE2 4.02Å; F451-F586 HydrophobicContact CD1-CZ 4.19Å; F451-F586 HydrophobicContact CE1-CD1 4.01Å; F451-F586 AromaticContact CE1-CD2 3.68Å; F451-F586 HydrophobicContact CE1-CD2 3.68Å; F451-F586 AromaticContact CE1-CE1 3.98Å; F451-F586 HydrophobicContact CE1-CE1 3.98Å; F451-F586 AromaticContact CE1-CE2 3.63Å; F451-F586 HydrophobicContact CE1-CE2 3.63Å; F451-F586 AromaticContact CE1-CG 3.87Å; F451-F586 HydrophobicContact CE1-CG 3.87Å; F451-F586 AromaticContact CE1-CZ 3.78Å; F451-F586 HydrophobicContact CE1-CZ 3.78Å; F451-F586 HydrophobicContact CZ-CD2 4.25Å; F451-F586 HydrophobicContact CZ-CG 4.22Å; I534-F586 HydrophobicContact CG2-CE2 3.98Å; I534-F586 HydrophobicContact CG2-CZ 3.99Å; W536-F586 AromaticContact CD2-CE1 3.89Å; W536-F586 HydrophobicContact CD2-CE1 3.89Å; W536-F586 AromaticContact CE3-CE1 3.52Å; W536-F586 HydrophobicContact CE3-CE1 3.52Å; W536-F586 AromaticContact CE3-CZ 3.96Å; W536-F586 HydrophobicContact CE3-CZ 3.96Å; W536-F586 HydrophobicContact CG-CE1 4.43Å; W536-F586 AromaticContact CZ3-CE1 3.88Å; W536-F586 HydrophobicContact CZ3-CE1 3.88Å; W536-F586 HydrophobicContact CZ3-CZ 4.45Å; V563-F586 HydrophobicContact CG1-CB 4.44Å; V563-F586 HydrophobicContact CG1-CD1 3.8Å; V563-F586 HydrophobicContact CG1-CE1 4.49Å; V563-F586 HydrophobicContact CG1-CG 4.44Å; T564-F586 CarbonylContact O-C 3.58Å; T564-F586 VanDerWaalsContact O-CA 3.31Å; T564-F586 WeakPolarHBondContact O-CA 3.48Å; Q565-F586 HydrophobicContact CB-CD1 3.73Å; Q565-F586 HydrophobicContact CB-CE1 3.69Å; Q565-F586 HydrophobicContact CG-CD1 3.91Å; Q565-F586 HydrophobicContact CG-CE1 3.58Å; Q565-F586 HydrophobicContact CG-CZ 4.2Å; S584-F586 WeakPolarHBondContact OG-CE2 3.09Å; S584-F586 WeakPolarHBondContact OG-CZ 3.45Å; F586-L588 HydrophobicContact CB-CD2 4.26Å
587	T	96	Very high	94.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.6	154.9	-73.4	0	0	0	0	108.4	E276 V563 T564 H566 E589	E276-T587 HydrophobicContact CB-CG2 3.63Å; E276-T587 HydrophobicContact CG-CG2 3.58Å; E276-T587 PolarHBondContact OE2-OG1 3.42Å; E276-T587 VanDerWaalsContact OE2-OG1 3.08Å; V563-T587 WeakPolarHBondContact CA-O 3.47Å; T564-T587 PolarHBondContact N-O 3.35Å; T564-T587 PolarHBondContact O-N 3.3Å; H566-T587 WeakPolarHBondContact NE2-CB 3.35Å; H566-T587 PolarHBondContact NE2-OG1 3.49Å; T587-E589 HydrophobicContact CG2-CG 3.96Å
588	L	95.1	Very high	94.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.5	165.4	-40.4	-175.1	0	0	0	107.6	F277 V279 I449 F451 V563 F586 F590	F277-L588 HydrophobicContact CD1-CD1 4.07Å; F277-L588 HydrophobicContact CD1-CG 4.43Å; F277-L588 PolarHBondContact N-O 2.98Å; F277-L588 PolarHBondContact O-N 2.86Å; V279-L588 HydrophobicContact CG2-CD1 3.76Å; V279-L588 HydrophobicContact CG2-CG 4.02Å; I449-L588 HydrophobicContact CD1-CD1 3.99Å; I449-L588 HydrophobicContact CD1-CD2 4.32Å; F451-L588 HydrophobicContact CE2-CD2 4.19Å; F451-L588 HydrophobicContact CZ-CD2 3.79Å; V563-L588 HydrophobicContact CG1-CD2 4.14Å; V563-L588 HydrophobicContact CG2-CD2 3.93Å; F586-L588 HydrophobicContact CB-CD2 4.26Å; L588-F590 HydrophobicContact CB-CE1 4.3Å; L588-F590 HydrophobicContact CB-CE2 4.11Å; L588-F590 HydrophobicContact CB-CZ 3.85Å; L588-F590 HydrophobicContact CD1-CZ 3.86Å
589	E	92.9	Very high	94	Very high	43 Å²	43	26.4 Å²	26.4	20%	0.201	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.1	171.5	-49.2	167.8	54.5	0	0	107.5	I561 R562 T587	I561-E589 WeakPolarHBondContact CA-O 3.46Å; R562-E589 HydrophobicContact CB-CB 4.03Å; R562-E589 HydrophobicContact CB-CG 4.19Å; R562-E589 WeakPolarHBondContact CB-OE2 3.45Å; R562-E589 WeakPolarHBondContact CD-OE1 3.24Å; R562-E589 IonicContact CZ-OE1 3.83Å; R562-E589 VanDerWaalsContact CZ-OE1 3.31Å; R562-E589 IonicContact CZ-OE2 3.83Å; R562-E589 PolarHBondContact N-O 3.42Å; R562-E589 IonicContact NE-OE1 3.88Å; R562-E589 IonicContact NE-OE2 3.75Å; R562-E589 PolarHBondContact NE-OE2 2.89Å; R562-E589 VanDerWaalsContact NH1-CD 3.31Å; R562-E589 IonicContact NH1-OE1 3.16Å; R562-E589 PolarHBondContact NH1-OE1 3.34Å; R562-E589 IonicContact NH1-OE2 3.07Å; R562-E589 PolarHBondContact NH1-OE2 2.94Å; R562-E589 IonicContact NH2-OE2 2.81Å; R562-E589 PolarHBondContact O-N 3.47Å; T587-E589 HydrophobicContact CG2-CG 3.96Å
590	F	90	Very high	93.9	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.075	16%	0.157	C	C	.	.			trans	-107.3	133.1	-175.7	-62.4	-67.3	0	0	0	111	F277 V401 F402 H404 I449 L588 Y592 R593	F277-F590 HydrophobicContact CB-CE2 3.95Å; F277-F590 HydrophobicContact CD1-CE2 4.36Å; F277-F590 HydrophobicContact CG-CE2 4.36Å; V401-F590 HydrophobicContact CB-CZ 4.25Å; V401-F590 HydrophobicContact CG1-CE2 4.2Å; V401-F590 HydrophobicContact CG1-CZ 3.93Å; F402-F590 HydrophobicContact CD2-CD2 4.24Å; F402-F590 AromaticContact CD2-CE2 3.88Å; F402-F590 HydrophobicContact CD2-CE2 3.88Å; H404-F590 HydrophobicContact CB-CD1 3.86Å; H404-F590 HydrophobicContact CB-CE1 3.79Å; H404-F590 AromaticContact CD2-CD1 3.29Å; H404-F590 WeakPolarHBondContact CD2-CD1 3.39Å; H404-F590 AromaticContact CD2-CE1 3.99Å; H404-F590 AromaticContact CD2-CG 3.68Å; H404-F590 AromaticContact CG-CD1 3.53Å; H404-F590 AromaticContact NE2-CD1 3.99Å; I449-F590 HydrophobicContact CD1-CE1 4.12Å; L588-F590 HydrophobicContact CB-CE1 4.3Å; L588-F590 HydrophobicContact CB-CE2 4.11Å; L588-F590 HydrophobicContact CB-CZ 3.85Å; L588-F590 HydrophobicContact CD1-CZ 3.86Å; F590-Y592 WeakPolarHBondContact CB-O 3.45Å; F590-Y592 PolarHBondContact O-N 3.43Å; F590-Y592 VanDerWaalsContact O-N 3.15Å; F590-R593 HydrophobicContact CB-CG 4.07Å
591	P	87.6	Confident	93.8	Very high	57 Å²	57	29.8 Å²	29.8	37%	0.37	16%	0.16	S	C	.	.	S	Bend	trans	-71.5	-10.5	-175.9	29.7	-36.4	0	0	0	114.1	I561	I561-P591 VanDerWaalsContact CG1-CD 3.48Å; I561-P591 HydrophobicContact CG1-CG 4.07Å
592	Y	87.9	Confident	93.7	Very high	105 Å²	105	33.3 Å²	33.3	41%	0.412	18%	0.178	S	C	.	.	S	Bend	trans	-156.7	160.5	165.4	63.1	-95.7	0	0	0	106.9	H404 L557 F590	H404-Y592 AromaticContact CE1-CD1 3.81Å; H404-Y592 AromaticContact CE1-CE1 3.37Å; H404-Y592 WeakPolarHBondContact CE1-CE1 3.2Å; H404-Y592 AromaticContact CE1-CE2 3.74Å; H404-Y592 AromaticContact CE1-CZ 3.32Å; H404-Y592 AromaticContact NE2-CD2 3.76Å; H404-Y592 AromaticContact NE2-CE1 3.96Å; H404-Y592 AromaticContact NE2-CE2 3.57Å; H404-Y592 AromaticContact NE2-CZ 3.67Å; H404-Y592 PolarHBondContact NE2-O 2.97Å; L557-Y592 HydrophobicContact CB-CE1 4.34Å; L557-Y592 HydrophobicContact CD1-CE1 4.41Å; L557-Y592 HydrophobicContact CD2-CD1 4.42Å; F590-Y592 WeakPolarHBondContact CB-O 3.45Å; F590-Y592 PolarHBondContact O-N 3.43Å; F590-Y592 VanDerWaalsContact O-N 3.15Å
593	R	88.1	Confident	93.5	Very high	61 Å²	61	34.8 Å²	34.8	23%	0.23	19%	0.187	C	C	.	.			trans	-130.2	138.5	176.3	-67.3	173.8	56.6	130.4	5.9	111	Q274 F402 F590 D595	Q274-R593 PolarHBondContact O-NH1 3.3Å; F402-R593 HydrophobicContact CB-CB 4.14Å; F402-R593 HydrophobicContact CB-CG 4.31Å; F402-R593 VanDerWaalsContact CZ-NH2 3.26Å; F590-R593 HydrophobicContact CB-CG 4.07Å; R593-D595 VanDerWaalsContact C-N 3.31Å; R593-D595 WeakPolarHBondContact CB-OD2 3.27Å; R593-D595 IonicContact CZ-OD1 3.08Å; R593-D595 IonicContact NE-OD1 3.69Å; R593-D595 PolarHBondContact NE-OD1 2.96Å; R593-D595 IonicContact NE-OD2 3.46Å; R593-D595 PolarHBondContact NE-OD2 3.02Å; R593-D595 IonicContact NH2-OD1 2.8Å; R593-D595 PolarHBondContact NH2-OD1 3.4Å; R593-D595 PolarHBondContact O-N 2.94Å
594	A	89.3	Confident	93.4	Very high	32 Å²	32	41 Å²	41	26%	0.264	22%	0.216	S	C	.	.			trans	-92.9	52	176.9	0	0	0	0	0	111.8	F402 V596	F402-A594 VanDerWaalsContact O-CB 3.25Å; F402-A594 WeakPolarHBondContact O-CB 3.48Å; F402-A594 PolarHBondContact O-N 2.8Å; A594-V596 PolarHBondContact O-N 2.69Å
595	D	87	Confident	93.2	Very high	73 Å²	73	47.3 Å²	47.3	39%	0.39	25%	0.25	S	C	.	.			trans	-70.5	15	-175	-54.3	-60	0	0	0	114.7	F372 F402 R593	F372-D595 WeakPolarHBondContact CE1-O 3.27Å; F402-D595 WeakPolarHBondContact CD1-OD1 3.49Å; F402-D595 WeakPolarHBondContact CE1-OD1 3.47Å; R593-D595 VanDerWaalsContact C-N 3.31Å; R593-D595 WeakPolarHBondContact CB-OD2 3.27Å; R593-D595 IonicContact CZ-OD1 3.08Å; R593-D595 IonicContact NE-OD1 3.69Å; R593-D595 PolarHBondContact NE-OD1 2.96Å; R593-D595 IonicContact NE-OD2 3.46Å; R593-D595 PolarHBondContact NE-OD2 3.02Å; R593-D595 IonicContact NH2-OD1 2.8Å; R593-D595 PolarHBondContact NH2-OD1 3.4Å; R593-D595 PolarHBondContact O-N 2.94Å
596	V	91.3	Very high	93.1	Very high	98 Å²	98	50.5 Å²	50.5	59%	0.594	27%	0.265	S	S	*	.	S	Bend	trans	-96.2	117.9	172	-173.5	0	0	0	0	109	R374 A594 M620	R374-V596 PolarHBondContact NH2-O 2.87Å; A594-V596 PolarHBondContact O-N 2.69Å; V596-M620 HydrophobicContact CB-CE 3.96Å; V596-M620 HydrophobicContact CG1-CE 3.67Å; V596-M620 WeakPolarHBondContact O-CE 3.45Å
597	P	94.6	Very high	93.1	Very high	33 Å²	33	50.5 Å²	50.5	21%	0.214	27%	0.265	C	S	.	.			trans	-68.4	152.4	-177.6	29.9	-36.3	0	0	0	111.5	P371 F372 V599 M620	P371-P597 HydrophobicContact CB-CB 3.73Å; F372-P597 HydrophobicContact CE1-CB 4.23Å; P597-V599 VanDerWaalsContact C-N 3.31Å; P597-M620 WeakPolarHBondContact O-CE 3.26Å
598	L	94.1	Very high	92.9	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	29%	0.285	C	S	.	.	S	Bend	trans	-74.1	-27.6	179.3	-66.8	164.8	0	0	0	112.2	R374 M620 Y623 M687 V691	R374-L598 HydrophobicContact CG-CD1 4.02Å; L598-M620 HydrophobicContact CD2-CE 4.28Å; L598-M620 HydrophobicContact CD2-SD 3.88Å; L598-M620 WeakPolarHBondContact O-CB 3.07Å; L598-M620 PolarHBondContact O-N 3.29Å; L598-Y623 HydrophobicContact CB-CD2 3.89Å; L598-Y623 HydrophobicContact CB-CE2 4.49Å; L598-Y623 HydrophobicContact CB-CG 4.2Å; L598-Y623 HydrophobicContact CD1-CD2 4Å; L598-Y623 HydrophobicContact CD1-CE2 4.33Å; L598-Y623 HydrophobicContact CD2-CD2 4.22Å; L598-Y623 HydrophobicContact CG-CD2 4.26Å; L598-M687 HydrophobicContact CD1-CE 3.61Å; L598-M687 HydrophobicContact CD1-SD 3.39Å; L598-M687 WeakPolarHBondContact CD1-SD 3.2Å; L598-V691 HydrophobicContact CB-CB 4.23Å; L598-V691 HydrophobicContact CD1-CB 4.18Å; L598-V691 HydrophobicContact CD1-CG1 4.16Å; L598-V691 PolarHBondContact N-O 2.8Å
599	V	95.8	Very high	92.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.2	170.1	-173.2	0	0	0	0	109.1	P597 L601 F617 K618 L619 Y623 Y682 V691 G692	P597-V599 VanDerWaalsContact C-N 3.31Å; V599-L601 HydrophobicContact CG1-CD2 4.19Å; V599-F617 HydrophobicContact CG1-CB 3.97Å; V599-F617 HydrophobicContact CG1-CD2 4.13Å; V599-K618 WeakPolarHBondContact CA-O 3.41Å; V599-L619 HydrophobicContact CB-CD2 4.42Å; V599-L619 HydrophobicContact CG1-CD2 4.1Å; V599-L619 HydrophobicContact CG2-CD2 3.61Å; V599-Y623 HydrophobicContact CG2-CD1 4.3Å; V599-Y623 HydrophobicContact CG2-CE1 4.2Å; V599-Y682 HydrophobicContact CB-CD1 4.33Å; V599-Y682 HydrophobicContact CB-CD2 4.23Å; V599-Y682 HydrophobicContact CB-CG 4.04Å; V599-Y682 HydrophobicContact CG1-CD2 3.64Å; V599-Y682 HydrophobicContact CG1-CE2 4.07Å; V599-Y682 HydrophobicContact CG1-CG 3.94Å; V599-Y682 HydrophobicContact CG2-CD1 3.78Å; V599-Y682 HydrophobicContact CG2-CD2 4.17Å; V599-Y682 HydrophobicContact CG2-CE1 3.85Å; V599-Y682 HydrophobicContact CG2-CE2 4.21Å; V599-Y682 HydrophobicContact CG2-CG 3.95Å; V599-V691 HydrophobicContact CG2-CG2 3.99Å; V599-V691 PolarHBondContact N-O 3.23Å; V599-G692 WeakPolarHBondContact O-CA 3.34Å
600	T	96.6	Very high	92.5	Very high	64 Å²	64	59.1 Å²	59.1	39%	0.393	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.4	166.2	-54.2	0	0	0	0	108.6	I602 F617 K618	T600-I602 HydrophobicContact CG2-CG1 4.33Å; T600-F617 CarbonylContact O-C 3.59Å; T600-F617 VanDerWaalsContact O-CA 3.29Å; T600-F617 WeakPolarHBondContact O-CA 3.44Å; T600-K618 PolarHBondContact N-O 2.89Å; T600-K618 PolarHBondContact O-N 2.89Å
601	L	97	Very high	92.5	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.063	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.7	172.9	-63.8	-179.5	0	0	0	109.6	V599 V615 F617 I631 L680 Y682 T694	V599-L601 HydrophobicContact CG1-CD2 4.19Å; L601-V615 HydrophobicContact CD2-CG1 4.43Å; L601-F617 HydrophobicContact CD2-CB 3.59Å; L601-I631 HydrophobicContact CD1-CG2 4.41Å; L601-I631 HydrophobicContact CD2-CD1 3.96Å; L601-I631 HydrophobicContact CD2-CG1 4.49Å; L601-L680 HydrophobicContact CD1-CB 3.69Å; L601-Y682 HydrophobicContact CD2-CD2 4.37Å; L601-T694 HydrophobicContact CB-CG2 3.53Å; L601-T694 HydrophobicContact CD1-CG2 4.33Å
602	I	95.9	Very high	92.8	Very high	74 Å²	74	62.9 Å²	62.9	38%	0.379	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.5	179	-56.1	178.2	0	0	0	108.2	T600 I616 K618	T600-I602 HydrophobicContact CG2-CG1 4.33Å; I602-I616 HydrophobicContact CB-CB 4.27Å; I602-I616 PolarHBondContact N-O 3.11Å; I602-I616 PolarHBondContact O-N 2.96Å; I602-K618 HydrophobicContact CD1-CD 4.42Å; I602-K618 VanDerWaalsContact CD1-CE 3.5Å
603	V	96.2	Very high	93.1	Very high	30 Å²	30	57.9 Å²	57.9	18%	0.182	30%	0.303	C	S	.	.			trans	-143.1	164.2	179.1	-66.1	0	0	0	0	108.9	W607 V615 L680 T694 F697	V603-W607 HydrophobicContact CB-CZ2 4.18Å; V603-W607 HydrophobicContact CG1-CZ2 3.79Å; V603-V615 HydrophobicContact CG1-CG1 4.34Å; V603-V615 HydrophobicContact CG1-CG2 4.3Å; V603-L680 HydrophobicContact CG1-CD1 3.44Å; V603-L680 VanDerWaalsContact CG1-CD1 3.44Å; V603-L680 HydrophobicContact CG1-CG 4.31Å; V603-T694 HydrophobicContact CG1-CG2 4.47Å; V603-T694 HydrophobicContact CG2-CG2 4.1Å; V603-F697 HydrophobicContact CG2-CB 4.34Å; V603-F697 HydrophobicContact CG2-CD1 4.07Å; V603-F697 HydrophobicContact CG2-CD2 4.37Å; V603-F697 HydrophobicContact CG2-CE1 4.5Å; V603-F697 HydrophobicContact CG2-CG 4Å
604	E	94.9	Very high	93.4	Very high	130 Å²	130	58.3 Å²	58.3	61%	0.607	31%	0.307	S	S	*	.			trans	-70.5	148	162.7	-55.3	-61.4	150.1	0	0	110.5	E606	E604-E606 VanDerWaalsContact C-N 3.26Å; E604-E606 PolarHBondContact O-N 3.34Å
605	D	93.1	Very high	93.7	Very high	133 Å²	133	56.8 Å²	56.8	71%	0.711	29%	0.294	S	S	*	.	S	Bend	trans	-65.1	-25.4	-176.7	-60	-43.4	0	0	0	113.8	Q698	D605-Q698 PolarHBondContact O-N 3.47Å
606	E	95.3	Very high	94.1	Very high	82 Å²	82	55.8 Å²	55.8	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	121.6	-178.9	-61.2	-178	105.5	0	0	111.4	E604 K608 Q698	E604-E606 VanDerWaalsContact C-N 3.26Å; E604-E606 PolarHBondContact O-N 3.34Å; E606-K608 IonicContact OE1-NZ 3.44Å; E606-K608 PolarHBondContact OE1-NZ 3.26Å; E606-K608 WeakPolarHBondContact OE2-CE 3.46Å; E606-K608 IonicContact OE2-NZ 2.58Å; E606-K608 PolarHBondContact OE2-NZ 3.16Å; E606-Q698 CarbonylContact C-O 3.56Å; E606-Q698 WeakPolarHBondContact CA-O 3.33Å; E606-Q698 HydrophobicContact CG-CB 4.43Å
607	W	95.7	Very high	94.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.6	172.2	-62.7	-0.3	0	0	0	110.7	V603 D612 A613 V615 F666 L671 F697 Q698 I699 Q700	V603-W607 HydrophobicContact CB-CZ2 4.18Å; V603-W607 HydrophobicContact CG1-CZ2 3.79Å; W607-D612 HydrophobicContact CB-CB 4.06Å; W607-D612 HydrophobicContact CG-CB 4.16Å; W607-D612 PolarHBondContact NE1-O 3.46Å; W607-A613 HydrophobicContact CD2-CB 4.18Å; W607-A613 HydrophobicContact CE3-CB 3.75Å; W607-A613 HydrophobicContact CH2-CB 4.42Å; W607-A613 HydrophobicContact CZ3-CB 3.9Å; W607-V615 HydrophobicContact CH2-CG2 4.23Å; W607-V615 HydrophobicContact CZ2-CG2 4.33Å; W607-F666 AromaticContact CH2-CD2 3.62Å; W607-F666 HydrophobicContact CH2-CD2 3.62Å; W607-F666 AromaticContact CH2-CE2 3.82Å; W607-F666 HydrophobicContact CH2-CE2 3.82Å; W607-F666 AromaticContact CZ3-CD2 3.87Å; W607-F666 HydrophobicContact CZ3-CD2 3.87Å; W607-F666 HydrophobicContact CZ3-CE2 4.3Å; W607-L671 HydrophobicContact CE3-CD2 3.98Å; W607-L671 HydrophobicContact CZ3-CD2 3.74Å; W607-F697 HydrophobicContact CD2-CD2 4.4Å; W607-F697 AromaticContact CD2-CE2 3.65Å; W607-F697 HydrophobicContact CD2-CE2 3.65Å; W607-F697 AromaticContact CE2-CE2 3.51Å; W607-F697 AromaticContact CE3-CE2 3.96Å; W607-F697 HydrophobicContact CE3-CE2 3.96Å; W607-F697 HydrophobicContact CG-CE2 4.18Å; W607-F697 HydrophobicContact CH2-CE2 4.06Å; W607-F697 HydrophobicContact CH2-CZ 4.04Å; W607-F697 AromaticContact CZ2-CE2 3.76Å; W607-F697 HydrophobicContact CZ2-CE2 3.76Å; W607-F697 HydrophobicContact CZ2-CZ 4.02Å; W607-F697 HydrophobicContact CZ3-CE2 4.15Å; W607-F697 HydrophobicContact CZ3-CZ 4.31Å; W607-F697 AromaticContact NE1-CE2 3.89Å; W607-Q698 PolarHBondContact N-O 2.93Å; W607-I699 HydrophobicContact CB-CG1 4.27Å; W607-I699 HydrophobicContact CB-CG2 4.49Å; W607-I699 HydrophobicContact CD2-CD1 4.46Å; W607-I699 HydrophobicContact CD2-CG1 4.32Å; W607-I699 HydrophobicContact CE3-CD1 3.66Å; W607-I699 HydrophobicContact CE3-CG1 3.95Å; W607-I699 HydrophobicContact CG-CG1 4.49Å; W607-I699 HydrophobicContact CZ3-CD1 4Å; W607-Q700 CarbonylContact O-C 3.56Å; W607-Q700 PolarHBondContact O-N 3.34Å
608	K	93.1	Very high	94.2	Very high	103 Å²	103	53.1 Å²	53.1	45%	0.448	27%	0.265	S	S	.	.			trans	-109.3	-9.8	-177.2	-69.8	166.2	-177.7	159.2	0	112.8	E606 D612 P702	E606-K608 IonicContact OE1-NZ 3.44Å; E606-K608 PolarHBondContact OE1-NZ 3.26Å; E606-K608 WeakPolarHBondContact OE2-CE 3.46Å; E606-K608 IonicContact OE2-NZ 2.58Å; E606-K608 PolarHBondContact OE2-NZ 3.16Å; K608-D612 WeakPolarHBondContact CA-OD2 3.46Å; K608-D612 PolarHBondContact N-OD2 2.8Å; K608-P702 WeakPolarHBondContact O-CD 3.43Å
609	S	91.1	Very high	94.1	Very high	42 Å²	42	53.5 Å²	53.5	29%	0.294	27%	0.267	S	S	.	.	S	Bend	trans	-148.7	165	179.8	72.4	0	0	0	0	110.7	D611 D612	S609-D611 PolarHBondContact O-N 2.78Å; S609-D611 PolarHBondContact OG-N 2.96Å; S609-D612 WeakPolarHBondContact CB-OD2 3.48Å; S609-D612 PolarHBondContact N-OD2 2.83Å; S609-D612 PolarHBondContact O-N 3.21Å; S609-D612 VanDerWaalsContact O-N 3.07Å; S609-D612 PolarHBondContact OG-N 3.23Å; S609-D612 PolarHBondContact OG-OD1 3.25Å; S609-D612 PolarHBondContact OG-OD2 3.29Å
610	Y	88	Confident	93.9	Very high	82 Å²	82	55.8 Å²	55.8	32%	0.322	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19	175.2	-52.2	-52.2	0	0	0	113.3	D612 Q665 E668 L671 L701	Y610-D612 VanDerWaalsContact C-N 3.31Å; Y610-Q665 PolarHBondContact O-NE2 3.4Å; Y610-E668 HydrophobicContact CD1-CB 4.47Å; Y610-E668 HydrophobicContact CD1-CG 4.33Å; Y610-E668 HydrophobicContact CD2-CG 4.44Å; Y610-E668 HydrophobicContact CE1-CB 4.43Å; Y610-E668 HydrophobicContact CE1-CG 3.84Å; Y610-E668 HydrophobicContact CE2-CG 3.97Å; Y610-E668 VanDerWaalsContact CE2-OE1 3.27Å; Y610-E668 WeakPolarHBondContact CE2-OE1 3.46Å; Y610-E668 PolarHBondContact OH-OE1 2.69Å; Y610-L671 HydrophobicContact CD1-CD1 3.7Å; Y610-L671 HydrophobicContact CE1-CD1 4.29Å; Y610-L701 HydrophobicContact CD1-CD1 4.41Å; Y610-L701 HydrophobicContact CD1-CD2 3.89Å; Y610-L701 HydrophobicContact CE1-CD1 4.11Å; Y610-L701 HydrophobicContact CE1-CD2 4.04Å; Y610-L701 HydrophobicContact CE1-CG 4.5Å
611	D	90.4	Very high	93.4	Very high	104 Å²	104	57.7 Å²	57.7	56%	0.556	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.1	171.6	-92.4	-55	0	0	0	112.6	S609 A613 K614	S609-D611 PolarHBondContact O-N 2.78Å; S609-D611 PolarHBondContact OG-N 2.96Å; D611-A613 VanDerWaalsContact C-N 3.31Å; D611-K614 VanDerWaalsContact O-CD 3.23Å; D611-K614 WeakPolarHBondContact O-CD 3.19Å; D611-K614 WeakPolarHBondContact O-CE 3.47Å; D611-K614 PolarHBondContact O-NZ 2.95Å; D611-K614 IonicContact OD1-NZ 2.61Å; D611-K614 PolarHBondContact OD1-NZ 3.01Å
612	D	92.9	Very high	92.8	Very high	49 Å²	49	61.4 Å²	61.4	26%	0.262	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.5	-179.9	-50.3	-42.2	0	0	0	112.1	W607 K608 S609 Y610 K614	W607-D612 HydrophobicContact CB-CB 4.06Å; W607-D612 HydrophobicContact CG-CB 4.16Å; W607-D612 PolarHBondContact NE1-O 3.46Å; K608-D612 WeakPolarHBondContact CA-OD2 3.46Å; K608-D612 PolarHBondContact N-OD2 2.8Å; S609-D612 WeakPolarHBondContact CB-OD2 3.48Å; S609-D612 PolarHBondContact N-OD2 2.83Å; S609-D612 PolarHBondContact O-N 3.21Å; S609-D612 VanDerWaalsContact O-N 3.07Å; S609-D612 PolarHBondContact OG-N 3.23Å; S609-D612 PolarHBondContact OG-OD1 3.25Å; S609-D612 PolarHBondContact OG-OD2 3.29Å; Y610-D612 VanDerWaalsContact C-N 3.31Å; D612-K614 PolarHBondContact O-N 2.87Å
613	A	94.1	Very high	92.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.304	C	S	.	.			trans	-72.9	35.9	-173.8	0	0	0	0	0	115.1	W607 D611 Q665 F666 L671	W607-A613 HydrophobicContact CD2-CB 4.18Å; W607-A613 HydrophobicContact CE3-CB 3.75Å; W607-A613 HydrophobicContact CH2-CB 4.42Å; W607-A613 HydrophobicContact CZ3-CB 3.9Å; D611-A613 VanDerWaalsContact C-N 3.31Å; A613-Q665 WeakPolarHBondContact O-CA 3.37Å; A613-F666 HydrophobicContact CB-CB 4.28Å; A613-F666 PolarHBondContact O-N 2.92Å; A613-L671 HydrophobicContact CB-CD1 3.8Å; A613-L671 HydrophobicContact CB-CD2 4.16Å
614	K	94.9	Very high	92	Very high	71 Å²	71	61.8 Å²	61.8	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.8	-179.4	-70.3	162.5	-179.3	133.3	0	109.9	D611 D612 L664 Q665	D611-K614 VanDerWaalsContact O-CD 3.23Å; D611-K614 WeakPolarHBondContact O-CD 3.19Å; D611-K614 WeakPolarHBondContact O-CE 3.47Å; D611-K614 PolarHBondContact O-NZ 2.95Å; D611-K614 IonicContact OD1-NZ 2.61Å; D611-K614 PolarHBondContact OD1-NZ 3.01Å; D612-K614 PolarHBondContact O-N 2.87Å; K614-L664 WeakPolarHBondContact CA-O 3.35Å; K614-Q665 HydrophobicContact CG-CB 4.23Å; K614-Q665 HydrophobicContact CG-CG 3.98Å
615	V	95.8	Very high	91.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.4	178.5	-171.3	0	0	0	0	108.8	L601 V603 W607 I631 M648 Q663 L664 F666 L680	L601-V615 HydrophobicContact CD2-CG1 4.43Å; V603-V615 HydrophobicContact CG1-CG1 4.34Å; V603-V615 HydrophobicContact CG1-CG2 4.3Å; W607-V615 HydrophobicContact CH2-CG2 4.23Å; W607-V615 HydrophobicContact CZ2-CG2 4.33Å; V615-I631 HydrophobicContact CG1-CD1 4.09Å; V615-M648 HydrophobicContact CG2-CE 4.49Å; V615-M648 HydrophobicContact CG2-SD 4.45Å; V615-Q663 CarbonylContact O-C 3.55Å; V615-Q663 WeakPolarHBondContact O-CA 3.49Å; V615-L664 PolarHBondContact N-O 3.25Å; V615-L664 PolarHBondContact O-N 3.46Å; V615-F666 HydrophobicContact CG2-CD2 4.02Å; V615-F666 HydrophobicContact CG2-CE2 3.73Å; V615-L680 HydrophobicContact CB-CD1 4.19Å; V615-L680 HydrophobicContact CG1-CD1 3.58Å; V615-L680 HydrophobicContact CG2-CD1 3.49Å; V615-L680 VanDerWaalsContact CG2-CD1 3.49Å
616	I	95	Very high	91.4	Very high	51 Å²	51	53.2 Å²	53.2	26%	0.262	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.1	168.1	-63.4	170.7	0	0	0	107.4	I602 K618 E661 H662 Q663	I602-I616 HydrophobicContact CB-CB 4.27Å; I602-I616 PolarHBondContact N-O 3.11Å; I602-I616 PolarHBondContact O-N 2.96Å; I616-K618 HydrophobicContact CG2-CG 4.5Å; I616-E661 HydrophobicContact CG2-CG 3.79Å; I616-H662 WeakPolarHBondContact CA-O 3.42Å; I616-Q663 HydrophobicContact CG1-CB 4.29Å; I616-Q663 HydrophobicContact CG1-CG 4.11Å
617	F	94.6	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.2	173	72	-85.6	0	0	0	111.7	V599 T600 L601 L619 I631 A650 H662 L664 Y682	V599-F617 HydrophobicContact CG1-CB 3.97Å; V599-F617 HydrophobicContact CG1-CD2 4.13Å; T600-F617 CarbonylContact O-C 3.59Å; T600-F617 VanDerWaalsContact O-CA 3.29Å; T600-F617 WeakPolarHBondContact O-CA 3.44Å; L601-F617 HydrophobicContact CD2-CB 3.59Å; F617-L619 HydrophobicContact CD2-CD2 3.76Å; F617-L619 HydrophobicContact CD2-CG 4.26Å; F617-L619 HydrophobicContact CE2-CD1 4.49Å; F617-L619 HydrophobicContact CE2-CD2 3.88Å; F617-L619 HydrophobicContact CE2-CG 4.26Å; F617-I631 HydrophobicContact CB-CD1 4.32Å; F617-I631 HydrophobicContact CD1-CD1 3.84Å; F617-I631 HydrophobicContact CE1-CD1 4.34Å; F617-I631 HydrophobicContact CG-CD1 4.2Å; F617-A650 HydrophobicContact CZ-CB 4.23Å; F617-H662 HydrophobicContact CD1-CB 3.82Å; F617-H662 WeakPolarHBondContact CD1-O 2.88Å; F617-H662 HydrophobicContact CD2-CB 4.33Å; F617-H662 HydrophobicContact CE1-CB 3.42Å; F617-H662 VanDerWaalsContact CE1-CB 3.42Å; F617-H662 HydrophobicContact CE2-CB 3.99Å; F617-H662 AromaticContact CE2-CD2 3.52Å; F617-H662 HydrophobicContact CG-CB 4.27Å; F617-H662 HydrophobicContact CZ-CB 3.52Å; F617-H662 AromaticContact CZ-CD2 3.58Å; F617-H662 AromaticContact CZ-CG 3.91Å; F617-H662 PolarHBondContact N-O 2.98Å; F617-H662 PolarHBondContact O-N 3.02Å; F617-L664 HydrophobicContact CD1-CD1 4.32Å; F617-L664 HydrophobicContact CE1-CD1 3.64Å; F617-L664 HydrophobicContact CE1-CG 3.97Å; F617-Y682 HydrophobicContact CD2-CD2 4.23Å; F617-Y682 AromaticContact CD2-CE2 3.67Å; F617-Y682 HydrophobicContact CD2-CE2 3.67Å; F617-Y682 AromaticContact CE2-CE2 3.68Å; F617-Y682 HydrophobicContact CE2-CE2 3.68Å; F617-Y682 HydrophobicContact CG-CE2 4.35Å; F617-Y682 HydrophobicContact CZ-CE2 4.39Å
618	K	94.1	Very high	91	Very high	76 Å²	76	58 Å²	58	33%	0.33	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.3	-179.2	-48.2	-160.2	-171.1	-150.5	0	109.7	V599 T600 I602 I616 Q660 E661	V599-K618 WeakPolarHBondContact CA-O 3.41Å; T600-K618 PolarHBondContact N-O 2.89Å; T600-K618 PolarHBondContact O-N 2.89Å; I602-K618 HydrophobicContact CD1-CD 4.42Å; I602-K618 VanDerWaalsContact CD1-CE 3.5Å; I616-K618 HydrophobicContact CG2-CG 4.5Å; K618-Q660 CarbonylContact C-O 3.45Å; K618-Q660 VanDerWaalsContact CA-O 3.31Å; K618-Q660 WeakPolarHBondContact CA-O 3.49Å; K618-E661 HydrophobicContact CD-CG 4.33Å; K618-E661 WeakPolarHBondContact CD-OE2 3.18Å; K618-E661 WeakPolarHBondContact CE-OE1 3.42Å; K618-E661 VanDerWaalsContact CE-OE2 3.22Å; K618-E661 WeakPolarHBondContact CE-OE2 3.27Å; K618-E661 HydrophobicContact CG-CB 4.48Å; K618-E661 HydrophobicContact CG-CG 4.16Å; K618-E661 IonicContact NZ-OE1 3.4Å; K618-E661 PolarHBondContact NZ-OE1 2.95Å; K618-E661 VanDerWaalsContact NZ-OE1 3.08Å; K618-E661 IonicContact NZ-OE2 3.99Å; K618-E661 PolarHBondContact NZ-OE2 2.93Å
619	L	92.7	Very high	91.1	Very high	21 Å²	21	53.1 Å²	53.1	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.6	-178.2	-57.6	-177.9	0	0	0	110.6	V599 F617 Y623 R625 Q660	V599-L619 HydrophobicContact CB-CD2 4.42Å; V599-L619 HydrophobicContact CG1-CD2 4.1Å; V599-L619 HydrophobicContact CG2-CD2 3.61Å; F617-L619 HydrophobicContact CD2-CD2 3.76Å; F617-L619 HydrophobicContact CD2-CG 4.26Å; F617-L619 HydrophobicContact CE2-CD1 4.49Å; F617-L619 HydrophobicContact CE2-CD2 3.88Å; F617-L619 HydrophobicContact CE2-CG 4.26Å; L619-Y623 HydrophobicContact CD2-CD1 4.05Å; L619-Y623 HydrophobicContact CD2-CE1 4.33Å; L619-R625 HydrophobicContact CD1-CB 4.27Å; L619-Q660 PolarHBondContact N-O 3.05Å
620	M	90.9	Very high	91.4	Very high	47 Å²	47	52.9 Å²	52.9	23%	0.232	28%	0.279	C	S	.	.			trans	-58.6	137.8	168.8	-175.5	-178	-69.5	0	0	109.7	V596 P597 L598 S622 Y623	V596-M620 HydrophobicContact CB-CE 3.96Å; V596-M620 HydrophobicContact CG1-CE 3.67Å; V596-M620 WeakPolarHBondContact O-CE 3.45Å; P597-M620 WeakPolarHBondContact O-CE 3.26Å; L598-M620 HydrophobicContact CD2-CE 4.28Å; L598-M620 HydrophobicContact CD2-SD 3.88Å; L598-M620 WeakPolarHBondContact O-CB 3.07Å; L598-M620 PolarHBondContact O-N 3.29Å; M620-S622 PolarHBondContact O-N 3.49Å; M620-S622 PolarHBondContact SD-OG 3.3Å; M620-Y623 WeakPolarHBondContact O-CB 3.37Å; M620-Y623 PolarHBondContact O-N 3.28Å
621	P	86.6	Confident	91.8	Very high	105 Å²	105	49 Å²	49	68%	0.682	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.7	-173.1	-27.5	34.1	0	0	0	116.2
622	S	83.8	Confident	92.1	Very high	90 Å²	90	44 Å²	44	63%	0.629	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.5	176.7	51.5	0	0	0	0	114.1	M620	M620-S622 PolarHBondContact O-N 3.49Å; M620-S622 PolarHBondContact SD-OG 3.3Å
623	Y	88.9	Confident	92.4	Very high	18 Å²	18	41.7 Å²	41.7	7%	0.071	23%	0.225	C	C	.	.			trans	-80	122.3	-176	178.3	-103.1	0	0	0	112	L598 V599 L619 M620 R625 D629 Y682 S684 M687	L598-Y623 HydrophobicContact CB-CD2 3.89Å; L598-Y623 HydrophobicContact CB-CE2 4.49Å; L598-Y623 HydrophobicContact CB-CG 4.2Å; L598-Y623 HydrophobicContact CD1-CD2 4Å; L598-Y623 HydrophobicContact CD1-CE2 4.33Å; L598-Y623 HydrophobicContact CD2-CD2 4.22Å; L598-Y623 HydrophobicContact CG-CD2 4.26Å; V599-Y623 HydrophobicContact CG2-CD1 4.3Å; V599-Y623 HydrophobicContact CG2-CE1 4.2Å; L619-Y623 HydrophobicContact CD2-CD1 4.05Å; L619-Y623 HydrophobicContact CD2-CE1 4.33Å; M620-Y623 WeakPolarHBondContact O-CB 3.37Å; M620-Y623 PolarHBondContact O-N 3.28Å; Y623-R625 HydrophobicContact CD1-CB 4.4Å; Y623-R625 VanDerWaalsContact CE1-CA 3.47Å; Y623-R625 HydrophobicContact CE1-CB 3.9Å; Y623-R625 PolarHBondContact O-N 2.98Å; Y623-D629 PolarHBondContact OH-OD2 3.43Å; Y623-Y682 HydrophobicContact CE1-CE1 4.33Å; Y623-S684 VanDerWaalsContact OH-CB 3.27Å; Y623-S684 WeakPolarHBondContact OH-CB 3.26Å; Y623-S684 PolarHBondContact OH-OG 3.5Å; Y623-M687 HydrophobicContact CD2-CE 4.11Å; Y623-M687 HydrophobicContact CE2-CE 4.04Å; Y623-M687 HydrophobicContact CE2-SD 4.47Å
624	S	85.3	Confident	92.5	Very high	94 Å²	94	41.7 Å²	41.7	66%	0.657	23%	0.225	S	C	*	.			trans	-95.7	92.2	177.1	-66.8	0	0	0	0	111	N686	S624-N686 PolarHBondContact O-ND2 3.31Å
625	R	87.2	Confident	92.6	Very high	67 Å²	67	43.2 Å²	43.2	25%	0.253	23%	0.232	S	C	.	.			trans	-53.1	137.8	174.9	168.6	175.2	61.8	-170.8	-18.4	112.3	L619 Y623 D629 A650 H662 Y682	L619-R625 HydrophobicContact CD1-CB 4.27Å; Y623-R625 HydrophobicContact CD1-CB 4.4Å; Y623-R625 VanDerWaalsContact CE1-CA 3.47Å; Y623-R625 HydrophobicContact CE1-CB 3.9Å; Y623-R625 PolarHBondContact O-N 2.98Å; R625-D629 WeakPolarHBondContact CA-OD2 3.25Å; R625-D629 HydrophobicContact CG-CB 4.36Å; R625-D629 WeakPolarHBondContact CG-OD2 3.31Å; R625-A650 VanDerWaalsContact CD-O 3.29Å; R625-A650 WeakPolarHBondContact CD-O 3.41Å; R625-A650 PolarHBondContact NH1-O 2.86Å; R625-H662 PolarHBondContact NH1-CD2 3.18Å; R625-H662 VanDerWaalsContact NH1-CD2 3.26Å; R625-H662 PolarHBondContact NH1-NE2 3.46Å; R625-H662 PolarHBondContact NH2-NE2 3.01Å; R625-Y682 WeakPolarHBondContact CD-OH 3.39Å; R625-Y682 WeakPolarHBondContact CG-OH 3.24Å
626	S	90.2	Very high	92.6	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.112	25%	0.251	C	S	.	.			trans	-84.4	150.7	168.9	-146.1	0	0	0	0	112.3	W628 D629 N686	S626-W628 PolarHBondContact O-N 3.21Å; S626-W628 VanDerWaalsContact O-N 3.07Å; S626-D629 WeakPolarHBondContact CB-OD1 3.32Å; S626-D629 VanDerWaalsContact N-CG 3.32Å; S626-D629 PolarHBondContact N-OD1 3.29Å; S626-D629 PolarHBondContact N-OD2 2.92Å; S626-D629 PolarHBondContact O-N 2.78Å; S626-D629 VanDerWaalsContact O-N 3.16Å; S626-N686 WeakPolarHBondContact CB-OD1 3.31Å; S626-N686 PolarHBondContact OG-OD1 3.31Å
627	A	89.4	Confident	92.6	Very high	56 Å²	56	45.2 Å²	45.2	46%	0.463	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	0.8	168.7	0	0	0	0	0	113.7	R651	A627-R651 PolarHBondContact O-NE 2.79Å; A627-R651 PolarHBondContact O-NH2 2.9Å
628	W	92.4	Very high	92.6	Very high	125 Å²	125	46 Å²	46	47%	0.473	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	12.7	177.6	-58.2	105.5	0	0	0	112.8	S626 W630 W649 N685	S626-W628 PolarHBondContact O-N 3.21Å; S626-W628 VanDerWaalsContact O-N 3.07Å; W628-W630 VanDerWaalsContact O-CE3 3.23Å; W628-W649 HydrophobicContact CB-CZ3 4.4Å; W628-W649 AromaticContact CE3-CH2 3.95Å; W628-W649 HydrophobicContact CE3-CH2 3.95Å; W628-W649 HydrophobicContact CE3-CZ3 4Å; W628-W649 HydrophobicContact CZ3-CH2 4.43Å; W628-N685 HydrophobicContact CB-CB 3.85Å; W628-N685 WeakPolarHBondContact O-CB 3.15Å
629	D	95.1	Very high	92.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.249	C	C	.	.			trans	-74.5	149.6	169.7	-68.7	-5.1	0	0	0	109.8	Y623 R625 S626 A650 Y682 Y683 S684 N685	Y623-D629 PolarHBondContact OH-OD2 3.43Å; R625-D629 WeakPolarHBondContact CA-OD2 3.25Å; R625-D629 HydrophobicContact CG-CB 4.36Å; R625-D629 WeakPolarHBondContact CG-OD2 3.31Å; S626-D629 WeakPolarHBondContact CB-OD1 3.32Å; S626-D629 VanDerWaalsContact N-CG 3.32Å; S626-D629 PolarHBondContact N-OD1 3.29Å; S626-D629 PolarHBondContact N-OD2 2.92Å; S626-D629 PolarHBondContact O-N 2.78Å; S626-D629 VanDerWaalsContact O-N 3.16Å; D629-A650 HydrophobicContact CB-CB 3.98Å; D629-A650 WeakPolarHBondContact O-CB 3.41Å; D629-A650 PolarHBondContact O-N 3.06Å; D629-Y682 HydrophobicContact CB-CE1 3.71Å; D629-Y682 WeakPolarHBondContact CB-OH 3.41Å; D629-Y682 PolarHBondContact OD2-OH 3.18Å; D629-Y682 VanDerWaalsContact OD2-OH 3.14Å; D629-Y683 WeakPolarHBondContact CA-O 3.17Å; D629-Y683 WeakPolarHBondContact CB-O 3.07Å; D629-S684 WeakPolarHBondContact OD1-CA 3.21Å; D629-N685 PolarHBondContact OD1-N 3.28Å
630	W	96.2	Very high	92.8	Very high	37 Å²	37	45.3 Å²	45.3	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.6	178.9	68.1	86.8	0	0	0	112.4	W628 Y647 M648 W649 Y682 Y683	W628-W630 VanDerWaalsContact O-CE3 3.23Å; W630-Y647 HydrophobicContact CB-CD2 4.29Å; W630-Y647 HydrophobicContact CG-CD2 4.45Å; W630-M648 CarbonylContact C-O 3.58Å; W630-M648 VanDerWaalsContact CA-O 3.3Å; W630-M648 WeakPolarHBondContact CA-O 3.34Å; W630-M648 VanDerWaalsContact CB-O 3.31Å; W630-M648 WeakPolarHBondContact CB-O 3.25Å; W630-W649 HydrophobicContact CB-CE3 4.29Å; W630-W649 HydrophobicContact CE3-CZ3 4.04Å; W630-Y682 CarbonylContact O-C 3.58Å; W630-Y682 WeakPolarHBondContact O-CA 3.37Å; W630-Y683 HydrophobicContact CD2-CD1 4.12Å; W630-Y683 HydrophobicContact CD2-CG 4.33Å; W630-Y683 AromaticContact CE2-CD1 3.81Å; W630-Y683 AromaticContact CE2-CG 3.73Å; W630-Y683 AromaticContact CE3-CD1 3.97Å; W630-Y683 HydrophobicContact CE3-CD1 3.97Å; W630-Y683 AromaticContact CH2-CD1 3.19Å; W630-Y683 HydrophobicContact CH2-CD1 3.19Å; W630-Y683 AromaticContact CH2-CE1 3.33Å; W630-Y683 HydrophobicContact CH2-CE1 3.33Å; W630-Y683 AromaticContact CH2-CG 3.85Å; W630-Y683 HydrophobicContact CH2-CG 3.85Å; W630-Y683 AromaticContact CZ2-CD1 3.35Å; W630-Y683 HydrophobicContact CZ2-CD1 3.35Å; W630-Y683 HydrophobicContact CZ2-CD2 4.06Å; W630-Y683 AromaticContact CZ2-CE1 3.82Å; W630-Y683 HydrophobicContact CZ2-CE1 3.82Å; W630-Y683 HydrophobicContact CZ2-CE2 4.45Å; W630-Y683 AromaticContact CZ2-CG 3.48Å; W630-Y683 HydrophobicContact CZ2-CG 3.48Å; W630-Y683 VanDerWaalsContact CZ2-CG 3.48Å; W630-Y683 AromaticContact CZ3-CD1 3.52Å; W630-Y683 HydrophobicContact CZ3-CD1 3.52Å; W630-Y683 AromaticContact CZ3-CE1 3.85Å; W630-Y683 HydrophobicContact CZ3-CE1 3.85Å; W630-Y683 HydrophobicContact CZ3-CG 4.41Å; W630-Y683 PolarHBondContact N-O 3.22Å; W630-Y683 PolarHBondContact O-N 3Å
631	I	97.6	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.7	168.3	-55.1	176.8	0	0	0	106.8	L601 V615 F617 Y647 M648 L664 L680 Y682	L601-I631 HydrophobicContact CD1-CG2 4.41Å; L601-I631 HydrophobicContact CD2-CD1 3.96Å; L601-I631 HydrophobicContact CD2-CG1 4.49Å; V615-I631 HydrophobicContact CG1-CD1 4.09Å; F617-I631 HydrophobicContact CB-CD1 4.32Å; F617-I631 HydrophobicContact CD1-CD1 3.84Å; F617-I631 HydrophobicContact CE1-CD1 4.34Å; F617-I631 HydrophobicContact CG-CD1 4.2Å; I631-Y647 CarbonylContact O-C 3.51Å; I631-Y647 VanDerWaalsContact O-CA 3.28Å; I631-Y647 WeakPolarHBondContact O-CA 3.34Å; I631-M648 HydrophobicContact CB-CG 3.9Å; I631-M648 HydrophobicContact CB-SD 4.42Å; I631-M648 HydrophobicContact CD1-SD 4.35Å; I631-M648 PolarHBondContact N-O 2.81Å; I631-M648 PolarHBondContact O-N 3.1Å; I631-L664 HydrophobicContact CD1-CD1 4.46Å; I631-L680 HydrophobicContact CG2-CB 4.08Å; I631-L680 HydrophobicContact CG2-CD1 4.19Å; I631-L680 HydrophobicContact CG2-CD2 4.39Å; I631-L680 HydrophobicContact CG2-CG 4.48Å; I631-Y682 HydrophobicContact CD1-CD2 4.06Å; I631-Y682 HydrophobicContact CG1-CD2 3.63Å; I631-Y682 HydrophobicContact CG1-CE2 4.28Å; I631-Y682 HydrophobicContact CG1-CG 4.36Å
632	G	97.4	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.7	171.4	0	0	0	0	0	110.9	Y634 L680 G681	G632-Y634 VanDerWaalsContact C-CE2 3.49Å; G632-Y634 WeakPolarHBondContact O-CD2 3.26Å; G632-Y634 VanDerWaalsContact O-CE2 3.27Å; G632-Y634 WeakPolarHBondContact O-CE2 3.24Å; G632-L680 WeakPolarHBondContact O-CA 3.5Å; G632-G681 PolarHBondContact N-O 2.93Å; G632-G681 PolarHBondContact O-N 3.1Å
633	L	97.6	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.4	166.8	173.5	63.2	0	0	0	108	Y644 V645 G646 F666 L671 P672 F678 L680 F697 I699	L633-Y644 CarbonylContact O-C 3.59Å; L633-Y644 VanDerWaalsContact O-CA 3.22Å; L633-Y644 WeakPolarHBondContact O-CA 3.42Å; L633-Y644 WeakPolarHBondContact O-CB 3.39Å; L633-V645 HydrophobicContact CB-CG2 4.37Å; L633-V645 HydrophobicContact CD2-CG2 3.98Å; L633-V645 HydrophobicContact CG-CG2 3.81Å; L633-V645 WeakPolarHBondContact O-CG2 3.27Å; L633-V645 PolarHBondContact O-N 3.46Å; L633-G646 PolarHBondContact N-O 3.12Å; L633-F666 HydrophobicContact CB-CE1 4.22Å; L633-F666 HydrophobicContact CB-CZ 3.92Å; L633-L671 HydrophobicContact CD2-CD2 4.24Å; L633-P672 HydrophobicContact CD2-CG 4.29Å; L633-F678 HydrophobicContact CD1-CB 3.68Å; L633-F678 HydrophobicContact CD1-CD1 4.03Å; L633-F678 HydrophobicContact CD1-CG 4.07Å; L633-F678 HydrophobicContact CG-CD1 4.2Å; L633-L680 HydrophobicContact CB-CD2 3.86Å; L633-L680 HydrophobicContact CD1-CD2 3.57Å; L633-L680 HydrophobicContact CG-CD2 4.32Å; L633-F697 HydrophobicContact CD1-CE1 4.32Å; L633-F697 HydrophobicContact CD1-CZ 3.75Å; L633-I699 HydrophobicContact CD1-CD1 3.88Å; L633-I699 HydrophobicContact CD2-CD1 3.85Å; L633-I699 HydrophobicContact CG-CD1 4.46Å
634	Y	97.5	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.9	-175.3	-56.2	-91.1	0	0	0	110.1	G632 F638 H641 Y644 F678 I679 I690	G632-Y634 VanDerWaalsContact C-CE2 3.49Å; G632-Y634 WeakPolarHBondContact O-CD2 3.26Å; G632-Y634 VanDerWaalsContact O-CE2 3.27Å; G632-Y634 WeakPolarHBondContact O-CE2 3.24Å; Y634-F638 HydrophobicContact CD1-CB 4.34Å; Y634-F638 HydrophobicContact CD1-CD1 4.49Å; Y634-F638 AromaticContact CD1-CD2 3.55Å; Y634-F638 HydrophobicContact CD1-CD2 3.55Å; Y634-F638 AromaticContact CD1-CE2 3.83Å; Y634-F638 HydrophobicContact CD1-CE2 3.83Å; Y634-F638 AromaticContact CD1-CG 3.91Å; Y634-F638 HydrophobicContact CD1-CG 3.91Å; Y634-F638 HydrophobicContact CD1-CZ 4.43Å; Y634-F638 HydrophobicContact CD2-CZ 4.48Å; Y634-F638 HydrophobicContact CE1-CD2 4.15Å; Y634-F638 HydrophobicContact CE1-CE2 4.18Å; Y634-F638 HydrophobicContact CG-CD1 4.2Å; Y634-F638 HydrophobicContact CG-CD2 4Å; Y634-F638 HydrophobicContact CG-CE1 4.26Å; Y634-F638 HydrophobicContact CG-CE2 4.05Å; Y634-F638 HydrophobicContact CG-CG 4.08Å; Y634-F638 HydrophobicContact CG-CZ 4.18Å; Y634-H641 PolarHBondContact OH-O 2.75Å; Y634-H641 VanDerWaalsContact OH-O 3.11Å; Y634-Y644 HydrophobicContact CE1-CD1 4.3Å; Y634-F678 CarbonylContact O-C 3.54Å; Y634-F678 VanDerWaalsContact O-CA 3.23Å; Y634-F678 WeakPolarHBondContact O-CA 3.33Å; Y634-F678 WeakPolarHBondContact O-CB 3.34Å; Y634-F678 WeakPolarHBondContact O-CD1 3.4Å; Y634-I679 PolarHBondContact N-O 3Å; Y634-I679 PolarHBondContact O-N 2.86Å; Y634-I690 HydrophobicContact CE2-CD1 4.26Å
635	K	96.5	Very high	94.6	Very high	103 Å²	103	44.3 Å²	44.3	45%	0.448	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144.4	167.7	-170	175.5	-177.3	172.1	0	109.3	G637 F638 F674 F678	K635-G637 PolarHBondContact O-N 3.3Å; K635-F638 WeakPolarHBondContact O-CB 3.27Å; K635-F638 WeakPolarHBondContact O-CD1 3.15Å; K635-F638 PolarHBondContact O-N 3.32Å; K635-F674 HydrophobicContact CD-CE2 4.07Å; K635-F674 HydrophobicContact CD-CZ 4.45Å; K635-F678 HydrophobicContact CB-CD1 4.25Å; K635-F678 HydrophobicContact CB-CE1 4.15Å; K635-F678 HydrophobicContact CG-CE1 4.43Å
636	V	95.8	Very high	94.9	Very high	65 Å²	65	41.3 Å²	41.3	39%	0.394	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	133.2	171.9	171.5	0	0	0	0	110.1	D677 I679 P696	V636-D677 HydrophobicContact CB-CB 4.36Å; V636-D677 HydrophobicContact CG2-CB 3.76Å; V636-D677 WeakPolarHBondContact CG2-O 3.47Å; V636-D677 PolarHBondContact N-O 3.37Å; V636-D677 VanDerWaalsContact N-O 3.09Å; V636-I679 HydrophobicContact CG2-CD1 3.95Å; V636-I679 HydrophobicContact CG2-CG1 4.04Å; V636-P696 HydrophobicContact CG2-CB 4Å; V636-P696 HydrophobicContact CG2-CG 4.39Å
637	G	93.7	Very high	95.2	Very high	28 Å²	28	44.3 Å²	44.3	29%	0.289	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	15.1	-174.6	0	0	0	0	0	115.7	S344 K635	S344-G637 VanDerWaalsContact CB-O 3.26Å; S344-G637 WeakPolarHBondContact CB-O 3.31Å; S344-G637 PolarHBondContact OG-O 3.06Å; K635-G637 PolarHBondContact O-N 3.3Å
638	F	96.6	Very high	95.4	Very high	17 Å²	17	42.3 Å²	42.3	8%	0.075	20%	0.2	C	C	.	.			trans	-57.5	141.4	173.1	71.6	-79.5	0	0	0	112.7	V349 Y634 K635 D643 I679 I690	V349-F638 HydrophobicContact CB-CE2 4.32Å; V349-F638 HydrophobicContact CG1-CD2 4.11Å; V349-F638 HydrophobicContact CG1-CE2 3.66Å; V349-F638 HydrophobicContact CG1-CZ 4.42Å; V349-F638 HydrophobicContact CG2-CD2 4.09Å; V349-F638 HydrophobicContact CG2-CE1 4.12Å; V349-F638 HydrophobicContact CG2-CE2 3.61Å; V349-F638 HydrophobicContact CG2-CZ 3.62Å; Y634-F638 HydrophobicContact CD1-CB 4.34Å; Y634-F638 HydrophobicContact CD1-CD1 4.49Å; Y634-F638 AromaticContact CD1-CD2 3.55Å; Y634-F638 HydrophobicContact CD1-CD2 3.55Å; Y634-F638 AromaticContact CD1-CE2 3.83Å; Y634-F638 HydrophobicContact CD1-CE2 3.83Å; Y634-F638 AromaticContact CD1-CG 3.91Å; Y634-F638 HydrophobicContact CD1-CG 3.91Å; Y634-F638 HydrophobicContact CD1-CZ 4.43Å; Y634-F638 HydrophobicContact CD2-CZ 4.48Å; Y634-F638 HydrophobicContact CE1-CD2 4.15Å; Y634-F638 HydrophobicContact CE1-CE2 4.18Å; Y634-F638 HydrophobicContact CG-CD1 4.2Å; Y634-F638 HydrophobicContact CG-CD2 4Å; Y634-F638 HydrophobicContact CG-CE1 4.26Å; Y634-F638 HydrophobicContact CG-CE2 4.05Å; Y634-F638 HydrophobicContact CG-CG 4.08Å; Y634-F638 HydrophobicContact CG-CZ 4.18Å; K635-F638 WeakPolarHBondContact O-CB 3.27Å; K635-F638 WeakPolarHBondContact O-CD1 3.15Å; K635-F638 PolarHBondContact O-N 3.32Å; F638-D643 HydrophobicContact CB-CB 4.14Å; F638-I679 HydrophobicContact CE1-CD1 4.27Å; F638-I690 HydrophobicContact CE2-CD1 4.26Å; F638-I690 HydrophobicContact CZ-CD1 4.48Å
639	K	95.8	Very high	95.5	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.196	19%	0.194	C	C	.	.			trans	-84.5	-34.6	-174.4	-60.8	166.8	161	-171.8	0	112.1	E337 M340 E341 V349 L350 D643	E337-K639 IonicContact OE2-NZ 2.78Å; E337-K639 PolarHBondContact OE2-NZ 3.25Å; M340-K639 HydrophobicContact CB-CB 3.99Å; M340-K639 HydrophobicContact CB-CD 3.89Å; M340-K639 HydrophobicContact CB-CG 4Å; M340-K639 HydrophobicContact CG-CB 4.09Å; M340-K639 HydrophobicContact SD-CB 3.9Å; M340-K639 HydrophobicContact SD-CD 4.46Å; E341-K639 IonicContact OE1-NZ 2.66Å; E341-K639 PolarHBondContact OE1-NZ 3.48Å; V349-K639 CarbonylContact C-O 3.48Å; V349-K639 WeakPolarHBondContact CA-O 3.48Å; L350-K639 PolarHBondContact N-O 3.25Å; K639-D643 WeakPolarHBondContact CA-OD2 3.31Å; K639-D643 VanDerWaalsContact CB-OD2 3.26Å; K639-D643 WeakPolarHBondContact CB-OD2 3.31Å; K639-D643 PolarHBondContact N-OD2 3.08Å
640	H	95.3	Very high	95.2	Very high	37 Å²	37	40.8 Å²	40.8	17%	0.171	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-155.7	157.8	-166.4	167.1	-104.9	0	0	0	112.6	M340 L350 K642 D643	M340-H640 HydrophobicContact SD-CB 4.27Å; L350-H640 HydrophobicContact CB-CB 4.28Å; H640-K642 VanDerWaalsContact CE1-CG 3.46Å; H640-K642 WeakPolarHBondContact CE1-CG 3.32Å; H640-K642 PolarHBondContact CE1-NZ 3.44Å; H640-K642 PolarHBondContact ND1-N 3.44Å; H640-K642 PolarHBondContact O-N 2.97Å; H640-D643 PolarHBondContact N-OD2 2.73Å; H640-D643 IonicContact ND1-OD1 3.56Å; H640-D643 VanDerWaalsContact O-CB 3.3Å; H640-D643 WeakPolarHBondContact O-CB 3.19Å; H640-D643 PolarHBondContact O-N 3.03Å
641	H	93.9	Very high	94.4	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	1	-172.9	69.2	-102.9	0	0	0	116.1	Y634 Y683 I690	Y634-H641 PolarHBondContact OH-O 2.75Å; Y634-H641 VanDerWaalsContact OH-O 3.11Å; H641-Y683 HydrophobicContact CB-CD2 4.02Å; H641-Y683 HydrophobicContact CB-CE2 4.07Å; H641-Y683 AromaticContact CD2-CD2 3.98Å; H641-Y683 AromaticContact CD2-CE2 3.46Å; H641-Y683 VanDerWaalsContact CD2-CE2 3.46Å; H641-Y683 WeakPolarHBondContact CD2-CE2 3.27Å; H641-Y683 AromaticContact CG-CE2 3.6Å; H641-Y683 AromaticContact NE2-CE2 3.91Å; H641-I690 HydrophobicContact CB-CD1 4.1Å; H641-I690 HydrophobicContact CB-CG1 4.29Å
642	K	93.8	Very high	92.9	Very high	113 Å²	113	47.2 Å²	47.2	49%	0.491	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	2.1	174.8	-58.1	-172.5	-173.6	75.8	0	113	H640 Y644	H640-K642 VanDerWaalsContact CE1-CG 3.46Å; H640-K642 WeakPolarHBondContact CE1-CG 3.32Å; H640-K642 PolarHBondContact CE1-NZ 3.44Å; H640-K642 PolarHBondContact ND1-N 3.44Å; H640-K642 PolarHBondContact O-N 2.97Å; K642-Y644 PolarHBondContact O-N 3.01Å
643	D	94.6	Very high	90.9	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	26%	0.263	S	S	.	.			trans	-87.7	24.1	-175.2	-54.1	2.7	0	0	0	112.2	F638 K639 H640	F638-D643 HydrophobicContact CB-CB 4.14Å; K639-D643 WeakPolarHBondContact CA-OD2 3.31Å; K639-D643 VanDerWaalsContact CB-OD2 3.26Å; K639-D643 WeakPolarHBondContact CB-OD2 3.31Å; K639-D643 PolarHBondContact N-OD2 3.08Å; H640-D643 PolarHBondContact N-OD2 2.73Å; H640-D643 IonicContact ND1-OD1 3.56Å; H640-D643 VanDerWaalsContact O-CB 3.3Å; H640-D643 WeakPolarHBondContact O-CB 3.19Å; H640-D643 PolarHBondContact O-N 3.03Å
644	Y	95.2	Very high	88.8	Confident	76 Å²	76	59.4 Å²	59.4	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139.1	178.6	55.6	-102.8	0	0	0	110.2	L633 Y634 K642 G646 Y647	L633-Y644 CarbonylContact O-C 3.59Å; L633-Y644 VanDerWaalsContact O-CA 3.22Å; L633-Y644 WeakPolarHBondContact O-CA 3.42Å; L633-Y644 WeakPolarHBondContact O-CB 3.39Å; Y634-Y644 HydrophobicContact CE1-CD1 4.3Å; K642-Y644 PolarHBondContact O-N 3.01Å; Y644-G646 WeakPolarHBondContact CB-O 3.44Å; Y644-Y647 HydrophobicContact CD2-CD1 4Å; Y644-Y647 HydrophobicContact CD2-CG 4.17Å; Y644-Y647 AromaticContact CE2-CD1 3.39Å; Y644-Y647 HydrophobicContact CE2-CD1 3.39Å; Y644-Y647 HydrophobicContact CE2-CE1 4.19Å; Y644-Y647 AromaticContact CE2-CG 3.75Å; Y644-Y647 HydrophobicContact CE2-CG 3.75Å
645	V	95	Very high	86.8	Confident	63 Å²	63	61.1 Å²	61.1	38%	0.382	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-26.2	173.6	-61.5	0	0	0	0	111.7	L633 P672 F674 F678	L633-V645 HydrophobicContact CB-CG2 4.37Å; L633-V645 HydrophobicContact CD2-CG2 3.98Å; L633-V645 HydrophobicContact CG-CG2 3.81Å; L633-V645 WeakPolarHBondContact O-CG2 3.27Å; L633-V645 PolarHBondContact O-N 3.46Å; V645-P672 HydrophobicContact CG2-CB 4.24Å; V645-P672 HydrophobicContact CG2-CG 4.42Å; V645-F674 HydrophobicContact CG1-CZ 4.28Å; V645-F678 HydrophobicContact CG2-CD1 4.21Å; V645-F678 HydrophobicContact CG2-CE1 3.84Å
646	G	94.3	Very high	85	Confident	4 Å²	4	61.5 Å²	61.5	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.4	175	0	0	0	0	0	110	L633 Y644 E670	L633-G646 PolarHBondContact N-O 3.12Å; Y644-G646 WeakPolarHBondContact CB-O 3.44Å; G646-E670 WeakPolarHBondContact CA-O 3.42Å
647	Y	95.2	Very high	83.1	Confident	79 Å²	79	65.3 Å²	65.3	31%	0.31	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	154.3	177.9	78.9	-67.7	0	0	0	110.8	W630 I631 Y644 W649	W630-Y647 HydrophobicContact CB-CD2 4.29Å; W630-Y647 HydrophobicContact CG-CD2 4.45Å; I631-Y647 CarbonylContact O-C 3.51Å; I631-Y647 VanDerWaalsContact O-CA 3.28Å; I631-Y647 WeakPolarHBondContact O-CA 3.34Å; Y644-Y647 HydrophobicContact CD2-CD1 4Å; Y644-Y647 HydrophobicContact CD2-CG 4.17Å; Y644-Y647 AromaticContact CE2-CD1 3.39Å; Y644-Y647 HydrophobicContact CE2-CD1 3.39Å; Y644-Y647 HydrophobicContact CE2-CE1 4.19Å; Y644-Y647 AromaticContact CE2-CG 3.75Å; Y644-Y647 HydrophobicContact CE2-CG 3.75Å; Y647-W649 AromaticContact CE2-CE2 3.95Å; Y647-W649 HydrophobicContact CE2-CZ2 4.13Å; Y647-W649 AromaticContact CE2-NE1 3.88Å
648	M	94.3	Very high	81.6	Confident	14 Å²	14	73.8 Å²	73.8	7%	0.069	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.3	172.4	53.9	170.2	52.6	0	0	110	V615 W630 I631 L664 Q665 F666	V615-M648 HydrophobicContact CG2-CE 4.49Å; V615-M648 HydrophobicContact CG2-SD 4.45Å; W630-M648 CarbonylContact C-O 3.58Å; W630-M648 VanDerWaalsContact CA-O 3.3Å; W630-M648 WeakPolarHBondContact CA-O 3.34Å; W630-M648 VanDerWaalsContact CB-O 3.31Å; W630-M648 WeakPolarHBondContact CB-O 3.25Å; I631-M648 HydrophobicContact CB-CG 3.9Å; I631-M648 HydrophobicContact CB-SD 4.42Å; I631-M648 HydrophobicContact CD1-SD 4.35Å; I631-M648 PolarHBondContact N-O 2.81Å; I631-M648 PolarHBondContact O-N 3.1Å; M648-L664 HydrophobicContact CE-CB 3.96Å; M648-L664 HydrophobicContact CG-CD1 4.37Å; M648-L664 HydrophobicContact SD-CB 3.49Å; M648-L664 WeakPolarHBondContact SD-CB 3.42Å; M648-L664 HydrophobicContact SD-CD1 3.48Å; M648-L664 WeakPolarHBondContact SD-CD1 3.45Å; M648-L664 HydrophobicContact SD-CG 4.11Å; M648-Q665 WeakPolarHBondContact CE-O 3.34Å; M648-F666 HydrophobicContact CB-CE1 4.38Å; M648-F666 HydrophobicContact CE-CB 4.16Å; M648-F666 HydrophobicContact CE-CD1 3.82Å; M648-F666 HydrophobicContact CE-CD2 3.49Å; M648-F666 VanDerWaalsContact CE-CD2 3.49Å; M648-F666 HydrophobicContact CE-CE1 4.04Å; M648-F666 HydrophobicContact CE-CE2 3.72Å; M648-F666 HydrophobicContact CE-CG 3.55Å; M648-F666 HydrophobicContact CE-CZ 3.99Å; M648-F666 HydrophobicContact CG-CE1 4.09Å; M648-F666 HydrophobicContact CG-CZ 4.03Å; M648-F666 HydrophobicContact SD-CE2 4.3Å; M648-F666 HydrophobicContact SD-CZ 4.35Å
649	W	93.6	Very high	80.4	Confident	92 Å²	92	75.3 Å²	75.3	35%	0.348	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	137.4	170.7	-66.8	99.6	0	0	0	109.8	W628 W630 Y647 R651	W628-W649 HydrophobicContact CB-CZ3 4.4Å; W628-W649 AromaticContact CE3-CH2 3.95Å; W628-W649 HydrophobicContact CE3-CH2 3.95Å; W628-W649 HydrophobicContact CE3-CZ3 4Å; W628-W649 HydrophobicContact CZ3-CH2 4.43Å; W630-W649 HydrophobicContact CB-CE3 4.29Å; W630-W649 HydrophobicContact CE3-CZ3 4.04Å; Y647-W649 AromaticContact CE2-CE2 3.95Å; Y647-W649 HydrophobicContact CE2-CZ2 4.13Å; Y647-W649 AromaticContact CE2-NE1 3.88Å; W649-R651 HydrophobicContact CB-CG 4.38Å; W649-R651 PolarHBondContact O-N 3.48Å
650	A	89.6	Confident	79.7	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.008	39%	0.392	C	S	.	.	S	Bend	trans	-75	31.7	179.7	0	0	0	0	0	113.2	F617 R625 D629 Y682	F617-A650 HydrophobicContact CZ-CB 4.23Å; R625-A650 VanDerWaalsContact CD-O 3.29Å; R625-A650 WeakPolarHBondContact CD-O 3.41Å; R625-A650 PolarHBondContact NH1-O 2.86Å; D629-A650 HydrophobicContact CB-CB 3.98Å; D629-A650 WeakPolarHBondContact O-CB 3.41Å; D629-A650 PolarHBondContact O-N 3.06Å; A650-Y682 HydrophobicContact CB-CD2 4.37Å; A650-Y682 HydrophobicContact CB-CE2 3.46Å; A650-Y682 VanDerWaalsContact CB-CE2 3.46Å; A650-Y682 WeakPolarHBondContact CB-OH 3.15Å
651	R	79.6	Confident	79.5	Confident	115 Å²	115	80.9 Å²	80.9	43%	0.434	40%	0.404	S	S	.	.			trans	-97.3	135.2	175.2	-66.1	178.7	174.8	-156.2	1.5	108.8	A627 W649 L664	A627-R651 PolarHBondContact O-NE 2.79Å; A627-R651 PolarHBondContact O-NH2 2.9Å; W649-R651 HydrophobicContact CB-CG 4.38Å; W649-R651 PolarHBondContact O-N 3.48Å; R651-L664 WeakPolarHBondContact O-CD2 3.21Å
652	N	66.1	Low	79.3	Confident	58 Å²	58	80.1 Å²	80.1	31%	0.31	40%	0.4	S	S	.	.			trans	-111.5	114.2	163.1	-177.5	-55.8	0	0	0	107.6	G654 A655 Q663 L664	N652-G654 PolarHBondContact O-N 2.88Å; N652-G654 VanDerWaalsContact O-N 3.12Å; N652-A655 HydrophobicContact CB-CB 3.84Å; N652-A655 VanDerWaalsContact CG-CB 3.4Å; N652-A655 WeakPolarHBondContact OD1-CB 3.32Å; N652-A655 PolarHBondContact OD1-N 3.31Å; N652-Q663 PolarHBondContact ND2-O 3.28Å; N652-L664 HydrophobicContact CB-CD2 4.24Å
653	E	55	Low	79.2	Confident	178 Å²	178	79.6 Å²	79.6	83%	0.832	40%	0.4	S	S	*	.	S	Bend	trans	-84.1	81.7	-178.3	-62	-159.3	156.4	0	0	110.4
654	G	53.5	Low	79.1	Confident	77 Å²	77	78 Å²	78	79%	0.794	39%	0.391	S	S	*	.	S	Bend	trans	141.5	-22.5	176.8	0	0	0	0	0	114.1	N652	N652-G654 PolarHBondContact O-N 2.88Å; N652-G654 VanDerWaalsContact O-N 3.12Å
655	A	55.9	Low	79	Confident	36 Å²	36	78.8 Å²	78.8	30%	0.298	40%	0.397	S	S	.	.	S	Bend	trans	-60.9	146.1	174.9	0	0	0	0	0	112.5	N652 L657	N652-A655 HydrophobicContact CB-CB 3.84Å; N652-A655 VanDerWaalsContact CG-CB 3.4Å; N652-A655 WeakPolarHBondContact OD1-CB 3.32Å; N652-A655 PolarHBondContact OD1-N 3.31Å; A655-L657 PolarHBondContact O-N 3.29Å
656	N	57.9	Low	78.9	Confident	111 Å²	111	76.1 Å²	76.1	59%	0.594	38%	0.38	S	S	*	.			trans	-62	122.3	174.2	-165.4	-0.1	0	0	0	109.8	Y658 S659	N656-Y658 PolarHBondContact O-N 3.21Å; N656-Y658 WeakPolarHBondContact OD1-CD2 3.34Å; N656-S659 WeakPolarHBondContact O-CB 3.29Å; N656-S659 PolarHBondContact O-N 2.79Å
657	L	56.8	Low	78.7	Confident	146 Å²	146	78.4 Å²	78.4	76%	0.764	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.4	-174.7	-79.9	163.6	0	0	0	114	A655	A655-L657 PolarHBondContact O-N 3.29Å
658	Y	61.3	Low	78.4	Confident	205 Å²	205	80.1 Å²	80.1	80%	0.804	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.8	175.6	-51.6	-71.1	0	0	0	113.9	N656	N656-Y658 PolarHBondContact O-N 3.21Å; N656-Y658 WeakPolarHBondContact OD1-CD2 3.34Å
659	S	72.2	Confident	78.1	Confident	49 Å²	49	88.7 Å²	88.7	34%	0.343	45%	0.446	S	S	.	.			trans	-70.9	129.7	173.1	-169.4	0	0	0	0	110.1	N656 E661 H662	N656-S659 WeakPolarHBondContact O-CB 3.29Å; N656-S659 PolarHBondContact O-N 2.79Å; S659-E661 VanDerWaalsContact C-N 3.25Å; S659-E661 WeakPolarHBondContact CB-O 3.34Å; S659-E661 PolarHBondContact OG-N 2.89Å; S659-E661 PolarHBondContact OG-O 3.42Å; S659-H662 PolarHBondContact O-CE1 2.75Å
660	Q	81.4	Confident	77.7	Confident	111 Å²	111	87.2 Å²	87.2	52%	0.519	44%	0.444	S	S	.	.	S	Bend	trans	-79.7	-12.6	170.5	-69.6	170.9	1.3	0	0	112	K618 L619	K618-Q660 CarbonylContact C-O 3.45Å; K618-Q660 VanDerWaalsContact CA-O 3.31Å; K618-Q660 WeakPolarHBondContact CA-O 3.49Å; L619-Q660 PolarHBondContact N-O 3.05Å
661	E	89.8	Confident	77.7	Confident	88 Å²	88	87.9 Å²	87.9	41%	0.411	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.6	-178	-175	161.6	166.2	0	0	110.9	I616 K618 S659	I616-E661 HydrophobicContact CG2-CG 3.79Å; K618-E661 HydrophobicContact CD-CG 4.33Å; K618-E661 WeakPolarHBondContact CD-OE2 3.18Å; K618-E661 WeakPolarHBondContact CE-OE1 3.42Å; K618-E661 VanDerWaalsContact CE-OE2 3.22Å; K618-E661 WeakPolarHBondContact CE-OE2 3.27Å; K618-E661 HydrophobicContact CG-CB 4.48Å; K618-E661 HydrophobicContact CG-CG 4.16Å; K618-E661 IonicContact NZ-OE1 3.4Å; K618-E661 PolarHBondContact NZ-OE1 2.95Å; K618-E661 VanDerWaalsContact NZ-OE1 3.08Å; K618-E661 IonicContact NZ-OE2 3.99Å; K618-E661 PolarHBondContact NZ-OE2 2.93Å; S659-E661 VanDerWaalsContact C-N 3.25Å; S659-E661 WeakPolarHBondContact CB-O 3.34Å; S659-E661 PolarHBondContact OG-N 2.89Å; S659-E661 PolarHBondContact OG-O 3.42Å
662	H	89.9	Confident	78.1	Confident	5 Å²	5	82.8 Å²	82.8	2%	0.023	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.8	-175.5	-65	-39.2	0	0	0	110.4	I616 F617 R625 S659	I616-H662 WeakPolarHBondContact CA-O 3.42Å; F617-H662 HydrophobicContact CD1-CB 3.82Å; F617-H662 WeakPolarHBondContact CD1-O 2.88Å; F617-H662 HydrophobicContact CD2-CB 4.33Å; F617-H662 HydrophobicContact CE1-CB 3.42Å; F617-H662 VanDerWaalsContact CE1-CB 3.42Å; F617-H662 HydrophobicContact CE2-CB 3.99Å; F617-H662 AromaticContact CE2-CD2 3.52Å; F617-H662 HydrophobicContact CG-CB 4.27Å; F617-H662 HydrophobicContact CZ-CB 3.52Å; F617-H662 AromaticContact CZ-CD2 3.58Å; F617-H662 AromaticContact CZ-CG 3.91Å; F617-H662 PolarHBondContact N-O 2.98Å; F617-H662 PolarHBondContact O-N 3.02Å; R625-H662 PolarHBondContact NH1-CD2 3.18Å; R625-H662 VanDerWaalsContact NH1-CD2 3.26Å; R625-H662 PolarHBondContact NH1-NE2 3.46Å; R625-H662 PolarHBondContact NH2-NE2 3.01Å; S659-H662 PolarHBondContact O-CE1 2.75Å
663	Q	92.3	Very high	79	Confident	102 Å²	102	88.5 Å²	88.5	48%	0.477	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.3	171.3	-171.5	177.5	-2.2	0	0	110.4	V615 I616 N652	V615-Q663 CarbonylContact O-C 3.55Å; V615-Q663 WeakPolarHBondContact O-CA 3.49Å; I616-Q663 HydrophobicContact CG1-CB 4.29Å; I616-Q663 HydrophobicContact CG1-CG 4.11Å; N652-Q663 PolarHBondContact ND2-O 3.28Å
664	L	91.8	Very high	80.6	Confident	29 Å²	29	84.5 Å²	84.5	15%	0.152	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	170.5	168.9	-62.5	175.6	0	0	0	109	K614 V615 F617 I631 M648 R651 N652	K614-L664 WeakPolarHBondContact CA-O 3.35Å; V615-L664 PolarHBondContact N-O 3.25Å; V615-L664 PolarHBondContact O-N 3.46Å; F617-L664 HydrophobicContact CD1-CD1 4.32Å; F617-L664 HydrophobicContact CE1-CD1 3.64Å; F617-L664 HydrophobicContact CE1-CG 3.97Å; I631-L664 HydrophobicContact CD1-CD1 4.46Å; M648-L664 HydrophobicContact CE-CB 3.96Å; M648-L664 HydrophobicContact CG-CD1 4.37Å; M648-L664 HydrophobicContact SD-CB 3.49Å; M648-L664 WeakPolarHBondContact SD-CB 3.42Å; M648-L664 HydrophobicContact SD-CD1 3.48Å; M648-L664 WeakPolarHBondContact SD-CD1 3.45Å; M648-L664 HydrophobicContact SD-CG 4.11Å; R651-L664 WeakPolarHBondContact O-CD2 3.21Å; N652-L664 HydrophobicContact CB-CD2 4.24Å
665	Q	92.9	Very high	82.4	Confident	91 Å²	91	84.4 Å²	84.4	43%	0.425	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.5	173.3	-174.5	171.7	-7.4	0	0	108	Y610 A613 K614 M648	Y610-Q665 PolarHBondContact O-NE2 3.4Å; A613-Q665 WeakPolarHBondContact O-CA 3.37Å; K614-Q665 HydrophobicContact CG-CB 4.23Å; K614-Q665 HydrophobicContact CG-CG 3.98Å; M648-Q665 WeakPolarHBondContact CE-O 3.34Å
666	F	93.4	Very high	84.3	Confident	8 Å²	8	83.7 Å²	83.7	4%	0.035	41%	0.414	C	S	.	.			trans	-70.5	146	175.8	-81.6	-85.8	0	0	0	110.4	W607 A613 V615 L633 M648 E670 L671 L680	W607-F666 AromaticContact CH2-CD2 3.62Å; W607-F666 HydrophobicContact CH2-CD2 3.62Å; W607-F666 AromaticContact CH2-CE2 3.82Å; W607-F666 HydrophobicContact CH2-CE2 3.82Å; W607-F666 AromaticContact CZ3-CD2 3.87Å; W607-F666 HydrophobicContact CZ3-CD2 3.87Å; W607-F666 HydrophobicContact CZ3-CE2 4.3Å; A613-F666 HydrophobicContact CB-CB 4.28Å; A613-F666 PolarHBondContact O-N 2.92Å; V615-F666 HydrophobicContact CG2-CD2 4.02Å; V615-F666 HydrophobicContact CG2-CE2 3.73Å; L633-F666 HydrophobicContact CB-CE1 4.22Å; L633-F666 HydrophobicContact CB-CZ 3.92Å; M648-F666 HydrophobicContact CB-CE1 4.38Å; M648-F666 HydrophobicContact CE-CB 4.16Å; M648-F666 HydrophobicContact CE-CD1 3.82Å; M648-F666 HydrophobicContact CE-CD2 3.49Å; M648-F666 VanDerWaalsContact CE-CD2 3.49Å; M648-F666 HydrophobicContact CE-CE1 4.04Å; M648-F666 HydrophobicContact CE-CE2 3.72Å; M648-F666 HydrophobicContact CE-CG 3.55Å; M648-F666 HydrophobicContact CE-CZ 3.99Å; M648-F666 HydrophobicContact CG-CE1 4.09Å; M648-F666 HydrophobicContact CG-CZ 4.03Å; M648-F666 HydrophobicContact SD-CE2 4.3Å; M648-F666 HydrophobicContact SD-CZ 4.35Å; F666-E670 HydrophobicContact CD1-CB 4Å; F666-L671 HydrophobicContact CB-CD1 4.37Å; F666-L671 HydrophobicContact CB-CD2 3.86Å; F666-L671 HydrophobicContact CB-CG 4Å; F666-L671 HydrophobicContact CG-CD2 4.24Å; F666-L680 HydrophobicContact CE2-CD1 4.45Å; F666-L680 HydrophobicContact CE2-CD2 3.86Å; F666-L680 HydrophobicContact CZ-CD2 4.02Å
667	S	90.6	Very high	86.1	Confident	52 Å²	52	81.9 Å²	81.9	36%	0.364	40%	0.404	S	S	.	.			trans	-78.3	155	168.1	66.6	0	0	0	0	111.2	E669 E670 L671	S667-E669 PolarHBondContact O-N 2.86Å; S667-E670 WeakPolarHBondContact CB-OE2 3.21Å; S667-E670 PolarHBondContact N-OE2 3.39Å; S667-E670 PolarHBondContact O-N 3.18Å; S667-E670 VanDerWaalsContact OG-CG 3.28Å; S667-E670 WeakPolarHBondContact OG-CG 3.38Å; S667-E670 PolarHBondContact OG-OE2 3.39Å; S667-L671 PolarHBondContact O-N 2.91Å
668	E	88.6	Confident	88.1	Confident	114 Å²	114	74.9 Å²	74.9	53%	0.533	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-56.3	-34.1	176.3	179.7	171.4	-171.2	0	0	112.5	Y610 E670 L671	Y610-E668 HydrophobicContact CD1-CB 4.47Å; Y610-E668 HydrophobicContact CD1-CG 4.33Å; Y610-E668 HydrophobicContact CD2-CG 4.44Å; Y610-E668 HydrophobicContact CE1-CB 4.43Å; Y610-E668 HydrophobicContact CE1-CG 3.84Å; Y610-E668 HydrophobicContact CE2-CG 3.97Å; Y610-E668 VanDerWaalsContact CE2-OE1 3.27Å; Y610-E668 WeakPolarHBondContact CE2-OE1 3.46Å; Y610-E668 PolarHBondContact OH-OE1 2.69Å; E668-E670 VanDerWaalsContact C-N 3.28Å; E668-E670 PolarHBondContact O-N 3.14Å; E668-L671 PolarHBondContact O-N 2.96Å
669	E	87.6	Confident	89.8	Confident	194 Å²	194	65.2 Å²	65.2	91%	0.907	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-68.9	-21.6	176.1	-64.5	-175.7	-149.2	0	0	113.9	S667	S667-E669 PolarHBondContact O-N 2.86Å
670	E	85.9	Confident	91.1	Very high	62 Å²	62	62.9 Å²	62.9	29%	0.29	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-95.4	-5.8	-179	-69.4	160	153.5	0	0	113	G646 F666 S667 E668	G646-E670 WeakPolarHBondContact CA-O 3.42Å; F666-E670 HydrophobicContact CD1-CB 4Å; S667-E670 WeakPolarHBondContact CB-OE2 3.21Å; S667-E670 PolarHBondContact N-OE2 3.39Å; S667-E670 PolarHBondContact O-N 3.18Å; S667-E670 VanDerWaalsContact OG-CG 3.28Å; S667-E670 WeakPolarHBondContact OG-CG 3.38Å; S667-E670 PolarHBondContact OG-OE2 3.39Å; E668-E670 VanDerWaalsContact C-N 3.28Å; E668-E670 PolarHBondContact O-N 3.14Å
671	L	89.8	Confident	91.9	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.073	29%	0.289	C	S	.	.	S	Bend	trans	-92.5	146.6	-175.7	-72.8	168.5	0	0	0	112.8	W607 Y610 A613 L633 F666 S667 E668 K673 L701	W607-L671 HydrophobicContact CE3-CD2 3.98Å; W607-L671 HydrophobicContact CZ3-CD2 3.74Å; Y610-L671 HydrophobicContact CD1-CD1 3.7Å; Y610-L671 HydrophobicContact CE1-CD1 4.29Å; A613-L671 HydrophobicContact CB-CD1 3.8Å; A613-L671 HydrophobicContact CB-CD2 4.16Å; L633-L671 HydrophobicContact CD2-CD2 4.24Å; F666-L671 HydrophobicContact CB-CD1 4.37Å; F666-L671 HydrophobicContact CB-CD2 3.86Å; F666-L671 HydrophobicContact CB-CG 4Å; F666-L671 HydrophobicContact CG-CD2 4.24Å; S667-L671 PolarHBondContact O-N 2.91Å; E668-L671 PolarHBondContact O-N 2.96Å; L671-K673 PolarHBondContact O-N 3.11Å; L671-L701 HydrophobicContact CB-CD1 3.79Å; L671-L701 HydrophobicContact CD1-CD1 4.04Å; L671-L701 HydrophobicContact CD2-CD1 4.47Å; L671-L701 HydrophobicContact CG-CD1 4.32Å
672	P	88.6	Confident	92.3	Very high	9 Å²	9	53.4 Å²	53.4	6%	0.058	27%	0.27	C	S	.	.			trans	-71.2	128	-178.2	28.1	-33.5	0	0	0	111.3	L633 V645 F674 F678 I699	L633-P672 HydrophobicContact CD2-CG 4.29Å; V645-P672 HydrophobicContact CG2-CB 4.24Å; V645-P672 HydrophobicContact CG2-CG 4.42Å; P672-F674 HydrophobicContact CB-CD1 4.07Å; P672-F674 HydrophobicContact CB-CE1 3.84Å; P672-F674 HydrophobicContact CB-CZ 4.09Å; P672-F674 PolarHBondContact O-N 3.42Å; P672-F678 HydrophobicContact CB-CE1 4.12Å; P672-F678 HydrophobicContact CB-CZ 3.81Å; P672-F678 HydrophobicContact CG-CE1 3.86Å; P672-F678 HydrophobicContact CG-CE2 4.08Å; P672-F678 HydrophobicContact CG-CZ 3.52Å; P672-I699 HydrophobicContact CG-CD1 4.03Å; P672-I699 HydrophobicContact CG-CG2 4.21Å
673	K	85.2	Confident	92.6	Very high	177 Å²	177	54.2 Å²	54.2	77%	0.77	27%	0.273	S	S	*	.	S	Bend	trans	-72.8	24.8	172.6	-60	-158.7	173.9	-160.7	0	114.1	L671 E704	L671-K673 PolarHBondContact O-N 3.11Å; K673-E704 IonicContact NZ-OE1 3.05Å; K673-E704 IonicContact NZ-OE2 3.55Å; K673-E704 PolarHBondContact NZ-OE2 3.08Å
674	F	87.6	Confident	92.8	Very high	94 Å²	94	49.4 Å²	49.4	41%	0.412	25%	0.25	S	C	.	.	S	Bend	trans	-149.5	142.7	-179.6	64.2	-92.7	0	0	0	110.6	K635 V645 P672 F678	K635-F674 HydrophobicContact CD-CE2 4.07Å; K635-F674 HydrophobicContact CD-CZ 4.45Å; V645-F674 HydrophobicContact CG1-CZ 4.28Å; P672-F674 HydrophobicContact CB-CD1 4.07Å; P672-F674 HydrophobicContact CB-CE1 3.84Å; P672-F674 HydrophobicContact CB-CZ 4.09Å; P672-F674 PolarHBondContact O-N 3.42Å; F674-F678 HydrophobicContact CD2-CZ 4.12Å; F674-F678 HydrophobicContact CE2-CE1 4.05Å; F674-F678 AromaticContact CE2-CZ 3.49Å; F674-F678 HydrophobicContact CE2-CZ 3.49Å; F674-F678 VanDerWaalsContact CE2-CZ 3.49Å; F674-F678 HydrophobicContact CZ-CE1 4.15Å; F674-F678 AromaticContact CZ-CZ 3.97Å; F674-F678 HydrophobicContact CZ-CZ 3.97Å
675	S	92.3	Very high	92.8	Very high	76 Å²	76	51.4 Å²	51.4	53%	0.531	26%	0.261	S	S	.	.			trans	-77.5	155.3	178.5	-43.5	0	0	0	0	112.7	I699	S675-I699 CarbonylContact C-O 3.59Å; S675-I699 WeakPolarHBondContact CA-O 3.39Å; S675-I699 WeakPolarHBondContact CB-O 3.25Å
676	G	94.9	Very high	92.7	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-171.3	173.5	0	0	0	0	0	113.1	F678 I699	G676-F678 WeakPolarHBondContact O-CD2 3.36Å; G676-F678 WeakPolarHBondContact O-CE2 3.38Å; G676-I699 PolarHBondContact N-O 2.57Å; G676-I699 PolarHBondContact O-N 3.28Å
677	D	96.5	Very high	92.5	Very high	72 Å²	72	53 Å²	53	39%	0.385	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.9	177.8	-40.9	-73.1	0	0	0	111	V636 Q698	V636-D677 HydrophobicContact CB-CB 4.36Å; V636-D677 HydrophobicContact CG2-CB 3.76Å; V636-D677 WeakPolarHBondContact CG2-O 3.47Å; V636-D677 PolarHBondContact N-O 3.37Å; V636-D677 VanDerWaalsContact N-O 3.09Å; D677-Q698 PolarHBondContact OD1-NE2 3.24Å
678	F	97.3	Very high	92.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.9	-175.6	-65.4	-93.5	0	0	0	111.8	L633 Y634 K635 V645 P672 F674 G676 P696 F697 I699	L633-F678 HydrophobicContact CD1-CB 3.68Å; L633-F678 HydrophobicContact CD1-CD1 4.03Å; L633-F678 HydrophobicContact CD1-CG 4.07Å; L633-F678 HydrophobicContact CG-CD1 4.2Å; Y634-F678 CarbonylContact O-C 3.54Å; Y634-F678 VanDerWaalsContact O-CA 3.23Å; Y634-F678 WeakPolarHBondContact O-CA 3.33Å; Y634-F678 WeakPolarHBondContact O-CB 3.34Å; Y634-F678 WeakPolarHBondContact O-CD1 3.4Å; K635-F678 HydrophobicContact CB-CD1 4.25Å; K635-F678 HydrophobicContact CB-CE1 4.15Å; K635-F678 HydrophobicContact CG-CE1 4.43Å; V645-F678 HydrophobicContact CG2-CD1 4.21Å; V645-F678 HydrophobicContact CG2-CE1 3.84Å; P672-F678 HydrophobicContact CB-CE1 4.12Å; P672-F678 HydrophobicContact CB-CZ 3.81Å; P672-F678 HydrophobicContact CG-CE1 3.86Å; P672-F678 HydrophobicContact CG-CE2 4.08Å; P672-F678 HydrophobicContact CG-CZ 3.52Å; F674-F678 HydrophobicContact CD2-CZ 4.12Å; F674-F678 HydrophobicContact CE2-CE1 4.05Å; F674-F678 AromaticContact CE2-CZ 3.49Å; F674-F678 HydrophobicContact CE2-CZ 3.49Å; F674-F678 VanDerWaalsContact CE2-CZ 3.49Å; F674-F678 HydrophobicContact CZ-CE1 4.15Å; F674-F678 AromaticContact CZ-CZ 3.97Å; F674-F678 HydrophobicContact CZ-CZ 3.97Å; G676-F678 WeakPolarHBondContact O-CD2 3.36Å; G676-F678 WeakPolarHBondContact O-CE2 3.38Å; F678-P696 CarbonylContact O-C 3.28Å; F678-P696 VanDerWaalsContact O-CA 3.32Å; F678-P696 WeakPolarHBondContact O-CA 3.4Å; F678-F697 HydrophobicContact CB-CE1 4.11Å; F678-F697 HydrophobicContact CB-CZ 4.13Å; F678-F697 PolarHBondContact N-O 2.91Å; F678-F697 WeakPolarHBondContact O-CD1 3.45Å; F678-F697 PolarHBondContact O-N 2.76Å; F678-I699 HydrophobicContact CB-CD1 4.24Å; F678-I699 HydrophobicContact CD1-CD1 4.5Å; F678-I699 HydrophobicContact CD2-CB 3.76Å; F678-I699 HydrophobicContact CD2-CD1 3.68Å; F678-I699 HydrophobicContact CD2-CG1 3.63Å; F678-I699 HydrophobicContact CE2-CB 3.77Å; F678-I699 HydrophobicContact CE2-CD1 4.12Å; F678-I699 HydrophobicContact CE2-CG1 4.12Å; F678-I699 HydrophobicContact CG-CD1 3.9Å; F678-I699 HydrophobicContact CG-CG1 4.26Å
679	I	98	Very high	92.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.7	176.4	-66.6	160.1	0	0	0	107.3	Y367 Y634 V636 F638 V693 P696	Y367-I679 HydrophobicContact CD1-CD1 4.48Å; Y367-I679 HydrophobicContact CD2-CD1 3.79Å; Y367-I679 HydrophobicContact CD2-CG2 4.42Å; Y367-I679 HydrophobicContact CE1-CD1 4.41Å; Y367-I679 HydrophobicContact CE2-CD1 3.7Å; Y367-I679 HydrophobicContact CE2-CG1 4.37Å; Y367-I679 HydrophobicContact CG-CD1 4.19Å; Y634-I679 PolarHBondContact N-O 3Å; Y634-I679 PolarHBondContact O-N 2.86Å; V636-I679 HydrophobicContact CG2-CD1 3.95Å; V636-I679 HydrophobicContact CG2-CG1 4.04Å; F638-I679 HydrophobicContact CE1-CD1 4.27Å; I679-V693 HydrophobicContact CG2-CB 4.35Å; I679-P696 HydrophobicContact CD1-CG 4.46Å; I679-P696 HydrophobicContact CG1-CB 4.43Å; I679-P696 HydrophobicContact CG1-CG 4.27Å
680	L	98.3	Very high	93.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.9	164.5	-62.6	-172.4	0	0	0	110.2	L601 V603 V615 I631 G632 L633 F666 V693 T694 F697	L601-L680 HydrophobicContact CD1-CB 3.69Å; V603-L680 HydrophobicContact CG1-CD1 3.44Å; V603-L680 VanDerWaalsContact CG1-CD1 3.44Å; V603-L680 HydrophobicContact CG1-CG 4.31Å; V615-L680 HydrophobicContact CB-CD1 4.19Å; V615-L680 HydrophobicContact CG1-CD1 3.58Å; V615-L680 HydrophobicContact CG2-CD1 3.49Å; V615-L680 VanDerWaalsContact CG2-CD1 3.49Å; I631-L680 HydrophobicContact CG2-CB 4.08Å; I631-L680 HydrophobicContact CG2-CD1 4.19Å; I631-L680 HydrophobicContact CG2-CD2 4.39Å; I631-L680 HydrophobicContact CG2-CG 4.48Å; G632-L680 WeakPolarHBondContact O-CA 3.5Å; L633-L680 HydrophobicContact CB-CD2 3.86Å; L633-L680 HydrophobicContact CD1-CD2 3.57Å; L633-L680 HydrophobicContact CG-CD2 4.32Å; F666-L680 HydrophobicContact CE2-CD1 4.45Å; F666-L680 HydrophobicContact CE2-CD2 3.86Å; F666-L680 HydrophobicContact CZ-CD2 4.02Å; L680-V693 CarbonylContact O-C 3.45Å; L680-V693 VanDerWaalsContact O-CA 3.24Å; L680-V693 WeakPolarHBondContact O-CA 3.24Å; L680-T694 HydrophobicContact CB-CG2 3.93Å; L680-T694 HydrophobicContact CG-CG2 4.41Å; L680-T694 PolarHBondContact N-OG1 2.79Å; L680-T694 PolarHBondContact O-N 3.18Å; L680-F697 HydrophobicContact CD2-CE1 4.3Å; L680-F697 HydrophobicContact CD2-CZ 4.17Å; L680-F697 HydrophobicContact CG-CE1 3.88Å; L680-F697 HydrophobicContact CG-CZ 4.09Å
681	G	98.1	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.9	174.6	0	0	0	0	0	111.9	G632 Y683 G692	G632-G681 PolarHBondContact N-O 2.93Å; G632-G681 PolarHBondContact O-N 3.1Å; G681-Y683 PolarHBondContact O-N 3.39Å; G681-G692 WeakPolarHBondContact CA-O 3.46Å
682	Y	98	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.2	174.6	-169.8	-70.9	0	0	0	109.3	V599 L601 F617 Y623 R625 D629 W630 I631 A650 I690 V691 G692	V599-Y682 HydrophobicContact CB-CD1 4.33Å; V599-Y682 HydrophobicContact CB-CD2 4.23Å; V599-Y682 HydrophobicContact CB-CG 4.04Å; V599-Y682 HydrophobicContact CG1-CD2 3.64Å; V599-Y682 HydrophobicContact CG1-CE2 4.07Å; V599-Y682 HydrophobicContact CG1-CG 3.94Å; V599-Y682 HydrophobicContact CG2-CD1 3.78Å; V599-Y682 HydrophobicContact CG2-CD2 4.17Å; V599-Y682 HydrophobicContact CG2-CE1 3.85Å; V599-Y682 HydrophobicContact CG2-CE2 4.21Å; V599-Y682 HydrophobicContact CG2-CG 3.95Å; L601-Y682 HydrophobicContact CD2-CD2 4.37Å; F617-Y682 HydrophobicContact CD2-CD2 4.23Å; F617-Y682 AromaticContact CD2-CE2 3.67Å; F617-Y682 HydrophobicContact CD2-CE2 3.67Å; F617-Y682 AromaticContact CE2-CE2 3.68Å; F617-Y682 HydrophobicContact CE2-CE2 3.68Å; F617-Y682 HydrophobicContact CG-CE2 4.35Å; F617-Y682 HydrophobicContact CZ-CE2 4.39Å; Y623-Y682 HydrophobicContact CE1-CE1 4.33Å; R625-Y682 WeakPolarHBondContact CD-OH 3.39Å; R625-Y682 WeakPolarHBondContact CG-OH 3.24Å; D629-Y682 HydrophobicContact CB-CE1 3.71Å; D629-Y682 WeakPolarHBondContact CB-OH 3.41Å; D629-Y682 PolarHBondContact OD2-OH 3.18Å; D629-Y682 VanDerWaalsContact OD2-OH 3.14Å; W630-Y682 CarbonylContact O-C 3.58Å; W630-Y682 WeakPolarHBondContact O-CA 3.37Å; I631-Y682 HydrophobicContact CD1-CD2 4.06Å; I631-Y682 HydrophobicContact CG1-CD2 3.63Å; I631-Y682 HydrophobicContact CG1-CE2 4.28Å; I631-Y682 HydrophobicContact CG1-CG 4.36Å; A650-Y682 HydrophobicContact CB-CD2 4.37Å; A650-Y682 HydrophobicContact CB-CE2 3.46Å; A650-Y682 VanDerWaalsContact CB-CE2 3.46Å; A650-Y682 WeakPolarHBondContact CB-OH 3.15Å; Y682-I690 CarbonylContact O-C 3.57Å; Y682-I690 VanDerWaalsContact O-CA 3.31Å; Y682-I690 WeakPolarHBondContact O-CA 3.47Å; Y682-V691 HydrophobicContact CD1-CG2 3.6Å; Y682-V691 HydrophobicContact CE1-CG2 4.16Å; Y682-V691 PolarHBondContact O-N 3.17Å; Y682-G692 PolarHBondContact N-O 3.13Å
683	Y	97.6	Very high	94.7	Very high	22 Å²	22	36.3 Å²	36.3	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126	175.9	-171.1	-84.9	0	0	0	111.3	D629 W630 H641 G681 S688 I690	D629-Y683 WeakPolarHBondContact CA-O 3.17Å; D629-Y683 WeakPolarHBondContact CB-O 3.07Å; W630-Y683 HydrophobicContact CD2-CD1 4.12Å; W630-Y683 HydrophobicContact CD2-CG 4.33Å; W630-Y683 AromaticContact CE2-CD1 3.81Å; W630-Y683 AromaticContact CE2-CG 3.73Å; W630-Y683 AromaticContact CE3-CD1 3.97Å; W630-Y683 HydrophobicContact CE3-CD1 3.97Å; W630-Y683 AromaticContact CH2-CD1 3.19Å; W630-Y683 HydrophobicContact CH2-CD1 3.19Å; W630-Y683 AromaticContact CH2-CE1 3.33Å; W630-Y683 HydrophobicContact CH2-CE1 3.33Å; W630-Y683 AromaticContact CH2-CG 3.85Å; W630-Y683 HydrophobicContact CH2-CG 3.85Å; W630-Y683 AromaticContact CZ2-CD1 3.35Å; W630-Y683 HydrophobicContact CZ2-CD1 3.35Å; W630-Y683 HydrophobicContact CZ2-CD2 4.06Å; W630-Y683 AromaticContact CZ2-CE1 3.82Å; W630-Y683 HydrophobicContact CZ2-CE1 3.82Å; W630-Y683 HydrophobicContact CZ2-CE2 4.45Å; W630-Y683 AromaticContact CZ2-CG 3.48Å; W630-Y683 HydrophobicContact CZ2-CG 3.48Å; W630-Y683 VanDerWaalsContact CZ2-CG 3.48Å; W630-Y683 AromaticContact CZ3-CD1 3.52Å; W630-Y683 HydrophobicContact CZ3-CD1 3.52Å; W630-Y683 AromaticContact CZ3-CE1 3.85Å; W630-Y683 HydrophobicContact CZ3-CE1 3.85Å; W630-Y683 HydrophobicContact CZ3-CG 4.41Å; W630-Y683 PolarHBondContact N-O 3.22Å; W630-Y683 PolarHBondContact O-N 3Å; H641-Y683 HydrophobicContact CB-CD2 4.02Å; H641-Y683 HydrophobicContact CB-CE2 4.07Å; H641-Y683 AromaticContact CD2-CD2 3.98Å; H641-Y683 AromaticContact CD2-CE2 3.46Å; H641-Y683 VanDerWaalsContact CD2-CE2 3.46Å; H641-Y683 WeakPolarHBondContact CD2-CE2 3.27Å; H641-Y683 AromaticContact CG-CE2 3.6Å; H641-Y683 AromaticContact NE2-CE2 3.91Å; G681-Y683 PolarHBondContact O-N 3.39Å; Y683-S688 WeakPolarHBondContact OH-CA 3.3Å; Y683-I690 HydrophobicContact CD2-CG1 4.04Å
684	S	95.7	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.7	172.3	-177.3	0	0	0	0	110.6	Y623 D629 N686 M687 S688 T689	Y623-S684 VanDerWaalsContact OH-CB 3.27Å; Y623-S684 WeakPolarHBondContact OH-CB 3.26Å; Y623-S684 PolarHBondContact OH-OG 3.5Å; D629-S684 WeakPolarHBondContact OD1-CA 3.21Å; S684-N686 PolarHBondContact O-N 2.86Å; S684-N686 PolarHBondContact OG-N 3.3Å; S684-M687 PolarHBondContact O-N 2.83Å; S684-M687 PolarHBondContact OG-N 2.97Å; S684-S688 PolarHBondContact O-N 3.17Å; S684-T689 PolarHBondContact N-O 3.01Å
685	N	92.5	Very high	95.7	Very high	72 Å²	72	29.7 Å²	29.7	39%	0.385	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.4	169.7	178.6	99.7	0	0	0	111.4	W628 D629	W628-N685 HydrophobicContact CB-CB 3.85Å; W628-N685 WeakPolarHBondContact O-CB 3.15Å; D629-N685 PolarHBondContact OD1-N 3.28Å
686	N	90.1	Very high	95.9	Very high	85 Å²	85	28.5 Å²	28.5	46%	0.455	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.5	-179.3	-66.6	-10.3	0	0	0	113.2	S624 S626 S684	S624-N686 PolarHBondContact O-ND2 3.31Å; S626-N686 WeakPolarHBondContact CB-OD1 3.31Å; S626-N686 PolarHBondContact OG-OD1 3.31Å; S684-N686 PolarHBondContact O-N 2.86Å; S684-N686 PolarHBondContact OG-N 3.3Å
687	M	89.3	Confident	96	Very high	47 Å²	47	27.9 Å²	27.9	23%	0.232	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	0.5	179.9	-60	-167.1	179.1	0	0	114.2	R374 V376 L598 Y623 S684 T689 V691	R374-M687 HydrophobicContact CB-SD 4.12Å; R374-M687 HydrophobicContact CG-SD 4.3Å; V376-M687 PolarHBondContact N-O 3.26Å; L598-M687 HydrophobicContact CD1-CE 3.61Å; L598-M687 HydrophobicContact CD1-SD 3.39Å; L598-M687 WeakPolarHBondContact CD1-SD 3.2Å; Y623-M687 HydrophobicContact CD2-CE 4.11Å; Y623-M687 HydrophobicContact CE2-CE 4.04Å; Y623-M687 HydrophobicContact CE2-SD 4.47Å; S684-M687 PolarHBondContact O-N 2.83Å; S684-M687 PolarHBondContact OG-N 2.97Å; M687-T689 VanDerWaalsContact C-N 3.26Å; M687-T689 HydrophobicContact CB-CG2 3.83Å; M687-T689 WeakPolarHBondContact O-CG2 3.34Å; M687-T689 PolarHBondContact O-N 2.84Å; M687-V691 HydrophobicContact CB-CG1 4.2Å; M687-V691 HydrophobicContact SD-CG1 4.03Å
688	S	91.3	Very high	96	Very high	58 Å²	58	27.7 Å²	27.7	41%	0.406	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.1	-179.9	-58.6	0	0	0	0	114.4	Y683 S684	Y683-S688 WeakPolarHBondContact OH-CA 3.3Å; S684-S688 PolarHBondContact O-N 3.17Å
689	T	95.4	Very high	95.9	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	166.5	-170.8	-169.6	0	0	0	0	111.8	L373 V376 S684 M687 V691	L373-T689 WeakPolarHBondContact O-CG2 3.3Å; L373-T689 PolarHBondContact O-OG1 2.85Å; V376-T689 HydrophobicContact CG2-CG2 4.28Å; S684-T689 PolarHBondContact N-O 3.01Å; M687-T689 VanDerWaalsContact C-N 3.26Å; M687-T689 HydrophobicContact CB-CG2 3.83Å; M687-T689 WeakPolarHBondContact O-CG2 3.34Å; M687-T689 PolarHBondContact O-N 2.84Å; T689-V691 HydrophobicContact CG2-CG1 3.7Å
690	I	97.6	Very high	95.7	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.9	170.4	-64.2	178.9	0	0	0	108.7	L370 Y634 F638 H641 Y682 Y683 G692 V693	L370-I690 CarbonylContact C-O 3.6Å; L370-I690 HydrophobicContact CB-CB 4.21Å; L370-I690 HydrophobicContact CB-CG2 4.46Å; L370-I690 HydrophobicContact CD1-CB 4.19Å; L370-I690 HydrophobicContact CD1-CD1 4.16Å; Y634-I690 HydrophobicContact CE2-CD1 4.26Å; F638-I690 HydrophobicContact CE2-CD1 4.26Å; F638-I690 HydrophobicContact CZ-CD1 4.48Å; H641-I690 HydrophobicContact CB-CD1 4.1Å; H641-I690 HydrophobicContact CB-CG1 4.29Å; Y682-I690 CarbonylContact O-C 3.57Å; Y682-I690 VanDerWaalsContact O-CA 3.31Å; Y682-I690 WeakPolarHBondContact O-CA 3.47Å; Y683-I690 HydrophobicContact CD2-CG1 4.04Å; I690-G692 VanDerWaalsContact CG2-O 3.29Å; I690-G692 WeakPolarHBondContact CG2-O 3.1Å; I690-V693 HydrophobicContact CG2-CG1 3.59Å
691	V	96.8	Very high	95.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	7	-172.5	-62.6	0	0	0	0	114.1	L598 V599 Y682 M687 T689	L598-V691 HydrophobicContact CB-CB 4.23Å; L598-V691 HydrophobicContact CD1-CB 4.18Å; L598-V691 HydrophobicContact CD1-CG1 4.16Å; L598-V691 PolarHBondContact N-O 2.8Å; V599-V691 HydrophobicContact CG2-CG2 3.99Å; V599-V691 PolarHBondContact N-O 3.23Å; Y682-V691 HydrophobicContact CD1-CG2 3.6Å; Y682-V691 HydrophobicContact CE1-CG2 4.16Å; Y682-V691 PolarHBondContact O-N 3.17Å; M687-V691 HydrophobicContact CB-CG1 4.2Å; M687-V691 HydrophobicContact SD-CG1 4.03Å; T689-V691 HydrophobicContact CG2-CG1 3.7Å
692	G	97.4	Very high	94.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	138.3	177.1	0	0	0	0	0	110.2	V599 G681 Y682 I690	V599-G692 WeakPolarHBondContact O-CA 3.34Å; G681-G692 WeakPolarHBondContact CA-O 3.46Å; Y682-G692 PolarHBondContact N-O 3.13Å; I690-G692 VanDerWaalsContact CG2-O 3.29Å; I690-G692 WeakPolarHBondContact CG2-O 3.1Å
693	V	97.9	Very high	92.7	Very high	28 Å²	28	41.3 Å²	41.3	17%	0.17	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.5	175.2	-62.2	0	0	0	0	110.5	P371 I679 L680 I690	P371-V693 HydrophobicContact CG-CG1 4.37Å; P371-V693 HydrophobicContact CG-CG2 3.92Å; I679-V693 HydrophobicContact CG2-CB 4.35Å; L680-V693 CarbonylContact O-C 3.45Å; L680-V693 VanDerWaalsContact O-CA 3.24Å; L680-V693 WeakPolarHBondContact O-CA 3.24Å; I690-V693 HydrophobicContact CG2-CG1 3.59Å
694	T	98.1	Very high	90.9	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.067	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-92	166.9	161.1	60.3	0	0	0	0	110.6	L601 V603 L680	L601-T694 HydrophobicContact CB-CG2 3.53Å; L601-T694 HydrophobicContact CD1-CG2 4.33Å; V603-T694 HydrophobicContact CG1-CG2 4.47Å; V603-T694 HydrophobicContact CG2-CG2 4.1Å; L680-T694 HydrophobicContact CB-CG2 3.93Å; L680-T694 HydrophobicContact CG-CG2 4.41Å; L680-T694 PolarHBondContact N-OG1 2.79Å; L680-T694 PolarHBondContact O-N 3.18Å
695	E	95.9	Very high	88.6	Confident	121 Å²	121	51.3 Å²	51.3	57%	0.565	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-63.7	167	152	-67.8	-56.3	145.4	0	0	110.7
696	P	96.7	Very high	86.4	Confident	52 Å²	52	56 Å²	56	34%	0.338	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.4	132.2	171.7	-21.7	34.6	0	0	0	112.1	Y367 V636 F678 I679	Y367-P696 WeakPolarHBondContact OH-CD 2.93Å; V636-P696 HydrophobicContact CG2-CB 4Å; V636-P696 HydrophobicContact CG2-CG 4.39Å; F678-P696 CarbonylContact O-C 3.28Å; F678-P696 VanDerWaalsContact O-CA 3.32Å; F678-P696 WeakPolarHBondContact O-CA 3.4Å; I679-P696 HydrophobicContact CD1-CG 4.46Å; I679-P696 HydrophobicContact CG1-CB 4.43Å; I679-P696 HydrophobicContact CG1-CG 4.27Å
697	F	96.8	Very high	84.3	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.8	176.6	72.7	-79.6	0	0	0	110.2	V603 W607 L633 F678 L680 I699	V603-F697 HydrophobicContact CG2-CB 4.34Å; V603-F697 HydrophobicContact CG2-CD1 4.07Å; V603-F697 HydrophobicContact CG2-CD2 4.37Å; V603-F697 HydrophobicContact CG2-CE1 4.5Å; V603-F697 HydrophobicContact CG2-CG 4Å; W607-F697 HydrophobicContact CD2-CD2 4.4Å; W607-F697 AromaticContact CD2-CE2 3.65Å; W607-F697 HydrophobicContact CD2-CE2 3.65Å; W607-F697 AromaticContact CE2-CE2 3.51Å; W607-F697 AromaticContact CE3-CE2 3.96Å; W607-F697 HydrophobicContact CE3-CE2 3.96Å; W607-F697 HydrophobicContact CG-CE2 4.18Å; W607-F697 HydrophobicContact CH2-CE2 4.06Å; W607-F697 HydrophobicContact CH2-CZ 4.04Å; W607-F697 AromaticContact CZ2-CE2 3.76Å; W607-F697 HydrophobicContact CZ2-CE2 3.76Å; W607-F697 HydrophobicContact CZ2-CZ 4.02Å; W607-F697 HydrophobicContact CZ3-CE2 4.15Å; W607-F697 HydrophobicContact CZ3-CZ 4.31Å; W607-F697 AromaticContact NE1-CE2 3.89Å; L633-F697 HydrophobicContact CD1-CE1 4.32Å; L633-F697 HydrophobicContact CD1-CZ 3.75Å; F678-F697 HydrophobicContact CB-CE1 4.11Å; F678-F697 HydrophobicContact CB-CZ 4.13Å; F678-F697 PolarHBondContact N-O 2.91Å; F678-F697 WeakPolarHBondContact O-CD1 3.45Å; F678-F697 PolarHBondContact O-N 2.76Å; L680-F697 HydrophobicContact CD2-CE1 4.3Å; L680-F697 HydrophobicContact CD2-CZ 4.17Å; L680-F697 HydrophobicContact CG-CE1 3.88Å; L680-F697 HydrophobicContact CG-CZ 4.09Å; F697-I699 HydrophobicContact CD2-CG1 4.36Å; F697-I699 HydrophobicContact CE2-CD1 3.97Å; F697-I699 HydrophobicContact CE2-CG1 3.74Å; F697-I699 HydrophobicContact CZ-CD1 4.24Å; F697-I699 HydrophobicContact CZ-CG1 4.44Å
698	Q	96.8	Very high	82	Confident	69 Å²	69	58.5 Å²	58.5	32%	0.322	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142	-174.7	-62	-150.6	-26.2	0	0	113.2	D605 E606 W607 D677	D605-Q698 PolarHBondContact O-N 3.47Å; E606-Q698 CarbonylContact C-O 3.56Å; E606-Q698 WeakPolarHBondContact CA-O 3.33Å; E606-Q698 HydrophobicContact CG-CB 4.43Å; W607-Q698 PolarHBondContact N-O 2.93Å; D677-Q698 PolarHBondContact OD1-NE2 3.24Å
699	I	95.8	Very high	79.4	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.8	166.2	-57.4	-177.8	0	0	0	108	W607 L633 P672 S675 G676 F678 F697 L701	W607-I699 HydrophobicContact CB-CG1 4.27Å; W607-I699 HydrophobicContact CB-CG2 4.49Å; W607-I699 HydrophobicContact CD2-CD1 4.46Å; W607-I699 HydrophobicContact CD2-CG1 4.32Å; W607-I699 HydrophobicContact CE3-CD1 3.66Å; W607-I699 HydrophobicContact CE3-CG1 3.95Å; W607-I699 HydrophobicContact CG-CG1 4.49Å; W607-I699 HydrophobicContact CZ3-CD1 4Å; L633-I699 HydrophobicContact CD1-CD1 3.88Å; L633-I699 HydrophobicContact CD2-CD1 3.85Å; L633-I699 HydrophobicContact CG-CD1 4.46Å; P672-I699 HydrophobicContact CG-CD1 4.03Å; P672-I699 HydrophobicContact CG-CG2 4.21Å; S675-I699 CarbonylContact C-O 3.59Å; S675-I699 WeakPolarHBondContact CA-O 3.39Å; S675-I699 WeakPolarHBondContact CB-O 3.25Å; G676-I699 PolarHBondContact N-O 2.57Å; G676-I699 PolarHBondContact O-N 3.28Å; F678-I699 HydrophobicContact CB-CD1 4.24Å; F678-I699 HydrophobicContact CD1-CD1 4.5Å; F678-I699 HydrophobicContact CD2-CB 3.76Å; F678-I699 HydrophobicContact CD2-CD1 3.68Å; F678-I699 HydrophobicContact CD2-CG1 3.63Å; F678-I699 HydrophobicContact CE2-CB 3.77Å; F678-I699 HydrophobicContact CE2-CD1 4.12Å; F678-I699 HydrophobicContact CE2-CG1 4.12Å; F678-I699 HydrophobicContact CG-CD1 3.9Å; F678-I699 HydrophobicContact CG-CG1 4.26Å; F697-I699 HydrophobicContact CD2-CG1 4.36Å; F697-I699 HydrophobicContact CE2-CD1 3.97Å; F697-I699 HydrophobicContact CE2-CG1 3.74Å; F697-I699 HydrophobicContact CZ-CD1 4.24Å; F697-I699 HydrophobicContact CZ-CG1 4.44Å; I699-L701 HydrophobicContact CG2-CD1 3.69Å; I699-L701 HydrophobicContact CG2-CG 3.68Å
700	Q	93.1	Very high	77.2	Confident	84 Å²	84	66.4 Å²	66.4	39%	0.393	42%	0.415	S	S	.	.			trans	-139.2	55.2	-178.6	-60.6	-171.6	27	0	0	110.2	W607	W607-Q700 CarbonylContact O-C 3.56Å; W607-Q700 PolarHBondContact O-N 3.34Å
701	L	87.4	Confident	74.4	Confident	24 Å²	24	71.5 Å²	71.5	13%	0.126	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-69.2	150.4	-178.5	-65.5	165.5	0	0	0	111.7	Y610 L671 I699 A703	Y610-L701 HydrophobicContact CD1-CD1 4.41Å; Y610-L701 HydrophobicContact CD1-CD2 3.89Å; Y610-L701 HydrophobicContact CE1-CD1 4.11Å; Y610-L701 HydrophobicContact CE1-CD2 4.04Å; Y610-L701 HydrophobicContact CE1-CG 4.5Å; L671-L701 HydrophobicContact CB-CD1 3.79Å; L671-L701 HydrophobicContact CD1-CD1 4.04Å; L671-L701 HydrophobicContact CD2-CD1 4.47Å; L671-L701 HydrophobicContact CG-CD1 4.32Å; I699-L701 HydrophobicContact CG2-CD1 3.69Å; I699-L701 HydrophobicContact CG2-CG 3.68Å; L701-A703 PolarHBondContact O-N 3.2Å
702	P	78.5	Confident	71.9	Confident	85 Å²	85	79 Å²	79	55%	0.552	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-64	130.3	175.1	-17	31.6	0	0	0	110	K608	K608-P702 WeakPolarHBondContact O-CD 3.43Å
703	A	66	Low	69.1	Low	94 Å²	94	83.9 Å²	83.9	78%	0.777	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-63.7	137.4	166.6	0	0	0	0	0	109.3	L701 S705	L701-A703 PolarHBondContact O-N 3.2Å; A703-S705 PolarHBondContact O-N 2.83Å; A703-S705 VanDerWaalsContact O-N 3.11Å
704	E	59	Low	66.4	Low	132 Å²	132	87.1 Å²	87.1	62%	0.617	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-53	119.7	171.3	-74.4	172.1	109.8	0	0	109	K673 D706	K673-E704 IonicContact NZ-OE1 3.05Å; K673-E704 IonicContact NZ-OE2 3.55Å; K673-E704 PolarHBondContact NZ-OE2 3.08Å; E704-D706 PolarHBondContact O-N 2.9Å
705	S	47.8	Very low	63.6	Low	100 Å²	100	93.9 Å²	93.9	70%	0.699	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-75.4	116.3	177.6	52.8	0	0	0	0	109.3	A703 S707	A703-S705 PolarHBondContact O-N 2.83Å; A703-S705 VanDerWaalsContact O-N 3.11Å; S705-S707 PolarHBondContact O-N 3.27Å; S705-S707 PolarHBondContact O-OG 3.19Å
706	D	47.8	Very low	60.7	Low	171 Å²	171	95.2 Å²	95.2	91%	0.914	60%	0.601	S	S	*	*			trans	-61	81.9	171.6	-94.7	-40.8	0	0	0	110.4	E704 G708	E704-D706 PolarHBondContact O-N 2.9Å; D706-G708 PolarHBondContact O-N 2.91Å
707	S	44.7	Very low	57.8	Low	114 Å²	114	98.4 Å²	98.4	80%	0.797	62%	0.624	S	S	*	*			trans	-80.6	74.2	176.1	37.5	0	0	0	0	108.4	S705	S705-S707 PolarHBondContact O-N 3.27Å; S705-S707 PolarHBondContact O-OG 3.19Å
708	G	41.4	Very low	54.9	Low	70 Å²	70	102.9 Å²	102.9	72%	0.722	66%	0.656	S	S	*	*			trans	-68.2	159.4	-161.9	0	0	0	0	0	116.3	D706	D706-G708 PolarHBondContact O-N 2.91Å
709	S	35.9	Very low	52.5	Low	112 Å²	112	108.8 Å²	108.8	78%	0.783	68%	0.684	S	S	*	*			trans	-110	102.3	160.9	172.2	0	0	0	0	108.5	S711	S709-S711 PolarHBondContact O-N 3.48Å
710	S	49.2	Very low	49.5	Very low	117 Å²	117	115.3 Å²	115.3	82%	0.818	72%	0.719	S	S	*	*			trans	-66.1	121.7	177.8	55.9	0	0	0	0	111.4
711	S	38.7	Very low	47	Very low	109 Å²	109	119 Å²	119	76%	0.762	74%	0.741	S	S	*	*			trans	-150.2	81.5	169.5	-73.2	0	0	0	0	110.8	S709	S709-S711 PolarHBondContact O-N 3.48Å
712	D	44.5	Very low	44.2	Very low	157 Å²	157	121.9 Å²	121.9	84%	0.84	76%	0.763	S	S	*	*			trans	-14.3	121.3	160.6	-168.2	7.9	0	0	0	117.8
713	S	39.5	Very low	42.1	Very low	104 Å²	104	124 Å²	124	73%	0.727	78%	0.775	S	S	*	*				-170.7	122.9	126.4	36.6	0	0	0	0	114.1
714	S	40.5	Very low	40.2	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	77%	0.774	S	S	*	*			trans	17.8	128.4	150.4	61.4	0	0	0	0	122.7
715	D	38.8	Very low	38.8	Very low	153 Å²	153	125.4 Å²	125.4	82%	0.818	78%	0.782	S	S	*	*			trans	51	121.2	136.5	-64	-54	0	0	0	121.9
716	V	35.7	Very low	37.9	Very low	149 Å²	149	128.3 Å²	128.3	90%	0.903	79%	0.787	S	S	*	*				-158.6	158.2	93.1	-87.3	0	0	0	0	111
717	S	36.9	Very low	36.8	Very low	118 Å²	118	129.5 Å²	129.5	83%	0.825	78%	0.784	S	S	*	*			trans	-105.4	135	175.8	176.4	0	0	0	0	112.5
718	S	35	Very low	36.3	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	78%	0.78	S	S	*	*			trans	-164.3	137	148.9	58.7	0	0	0	0	110.6
719	E	46.3	Very low	35.6	Very low	192 Å²	192	135.9 Å²	135.9	90%	0.897	79%	0.788	S	S	*	*			trans	-74.1	133.6	-179.1	-59.8	169.2	110.8	0	0	112.3
720	N	33.7	Very low	35.3	Very low	138 Å²	138	134.5 Å²	134.5	74%	0.738	78%	0.775	S	S	*	*			trans	-143.1	100.6	162.9	-89.3	118.2	0	0	0	110.7
721	D	38.7	Very low	34.3	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	78%	0.779	S	S	*	*			trans	-60	137.7	156.5	-179.1	21.9	0	0	0	109.1
722	S	29.8	Very low	34.1	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	77%	0.774	S	S	*	*			trans	-164.9	107.1	-177.1	-80.2	0	0	0	0	110.6	V724	S722-V724 PolarHBondContact O-N 3.4Å
723	T	34.3	Very low	33.6	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	76%	0.764	S	S	*	*			trans	-55.8	109	168.7	26.1	0	0	0	0	110.5	V725	T723-V725 PolarHBondContact O-N 3.23Å
724	V	26.2	Very low	33.1	Very low	125 Å²	125	137.1 Å²	137.1	76%	0.758	77%	0.767	S	S	*	*			trans	-72.1	90.7	-179.7	-176.9	0	0	0	0	109.5	S722 M726	S722-V724 PolarHBondContact O-N 3.4Å; V724-M726 VanDerWaalsContact C-N 3.32Å; V724-M726 PolarHBondContact O-N 3.42Å
725	V	28.9	Very low	32.7	Very low	129 Å²	129	141 Å²	141	78%	0.782	78%	0.779	S	S	*	*			trans	-65.1	94	168.5	179.6	0	0	0	0	108.3	T723 K727	T723-V725 PolarHBondContact O-N 3.23Å; V725-K727 PolarHBondContact O-N 2.89Å; V725-K727 VanDerWaalsContact O-N 3.07Å
726	M	30.1	Very low	32.2	Very low	161 Å²	161	144.6 Å²	144.6	79%	0.793	78%	0.782	S	S	*	*			trans	-52.3	114.1	175.4	-85.9	-68.7	-149.7	0	0	110	V724 L728	V724-M726 VanDerWaalsContact C-N 3.32Å; V724-M726 PolarHBondContact O-N 3.42Å; M726-L728 VanDerWaalsContact C-N 3.26Å; M726-L728 PolarHBondContact O-N 2.69Å
727	K	24.2	Very low	32	Very low	197 Å²	197	149.4 Å²	149.4	86%	0.857	78%	0.784	S	S	*	*			trans	-81.5	72	-169.9	-168.4	177.1	-176.7	174.4	0	111.1	V725 M729	V725-K727 PolarHBondContact O-N 2.89Å; V725-K727 VanDerWaalsContact O-N 3.07Å; K727-M729 PolarHBondContact O-N 2.65Å; K727-M729 VanDerWaalsContact O-N 3.14Å
728	L	33.3	Very low	31.6	Very low	137 Å²	137	153 Å²	153	72%	0.717	78%	0.784	S	S	*	*			trans	-50.1	116	-176	-155.6	77.2	0	0	0	111.4	M726 T730	M726-L728 VanDerWaalsContact C-N 3.26Å; M726-L728 PolarHBondContact O-N 2.69Å; L728-T730 VanDerWaalsContact C-N 3.28Å; L728-T730 HydrophobicContact CD2-CG2 4.18Å; L728-T730 PolarHBondContact O-N 2.61Å
729	M	26.7	Very low	31.3	Very low	180 Å²	180	157.1 Å²	157.1	89%	0.887	79%	0.792	S	S	*	*			trans	-78.8	75.7	177.8	-79.8	-153.6	178.4	0	0	111.1	K727 R731	K727-M729 PolarHBondContact O-N 2.65Å; K727-M729 VanDerWaalsContact O-N 3.14Å; M729-R731 PolarHBondContact O-N 2.68Å
730	T	29.4	Very low	30.5	Very low	84 Å²	84	159.8 Å²	159.8	52%	0.515	79%	0.794	S	S	.	*			trans	-60.3	99.6	177.3	57.6	0	0	0	0	111.8	L728	L728-T730 VanDerWaalsContact C-N 3.28Å; L728-T730 HydrophobicContact CD2-CG2 4.18Å; L728-T730 PolarHBondContact O-N 2.61Å
731	R	28.8	Very low	30.2	Very low	236 Å²	236	159 Å²	159	89%	0.891	80%	0.799	S	S	*	*			trans	-113.9	54	171.8	-89.8	-168.9	166.7	-168.9	0.1	112.2	M729 P733	M729-R731 PolarHBondContact O-N 2.68Å; R731-P733 WeakPolarHBondContact O-CD 3Å
732	S	34.9	Very low	29.8	Very low	96 Å²	96	163.3 Å²	163.3	67%	0.671	80%	0.803	S	S	*	*			trans	-69.8	121.5	171.5	-47.6	0	0	0	0	111.1	S734	S732-S734 PolarHBondContact O-N 3.22Å
733	P	33	Very low	29.8	Very low	97 Å²	97	165 Å²	165	63%	0.63	82%	0.815	S	S	*	*			trans	-86.6	95.9	179.9	32.9	-32.1	0	0	0	111.6	R731	R731-P733 WeakPolarHBondContact O-CD 3Å
734	S	30.4	Very low	29.5	Very low	112 Å²	112	170.6 Å²	170.6	78%	0.783	82%	0.821	S	S	*	*			trans	-77.4	151.8	179.6	57.5	0	0	0	0	114.3	S732 R736	S732-S734 PolarHBondContact O-N 3.22Å; S734-R736 PolarHBondContact O-N 2.85Å
735	L	31.2	Very low	29.7	Very low	177 Å²	177	170.1 Å²	170.1	93%	0.927	82%	0.824	S	S	*	*			trans	-64.1	100.8	-168.6	-71.5	165.7	0	0	0	114.2
736	R	28.1	Very low	29.8	Very low	230 Å²	230	176.2 Å²	176.2	87%	0.868	83%	0.832	S	S	*	*			trans	-88.8	102.3	165.2	-81.2	-167.1	169.9	-147.5	-2.2	112.3	S734 K738	S734-R736 PolarHBondContact O-N 2.85Å; R736-K738 PolarHBondContact O-N 2.73Å
737	R	32.3	Very low	29.7	Very low	250 Å²	250	171.7 Å²	171.7	94%	0.943	83%	0.827	S	S	*	*			trans	-52.6	107	160.9	-86.9	178.9	159.8	169.5	-5.2	110
738	K	29.2	Very low	30	Very low	192 Å²	192	173.9 Å²	173.9	84%	0.835	83%	0.83	S	S	*	*			trans	-94.2	109.9	174.7	-76.3	-177	178.4	175.4	0	110.9	R736 R740	R736-K738 PolarHBondContact O-N 2.73Å; K738-R740 PolarHBondContact O-N 2.77Å
739	H	28.9	Very low	29.8	Very low	190 Å²	190	170.9 Å²	170.9	88%	0.88	82%	0.821	S	S	*	*			trans	-64.3	132.3	161.2	-88.1	-94.3	0	0	0	110	S741	H739-S741 PolarHBondContact O-N 2.74Å
740	R	28.2	Very low	30	Very low	248 Å²	248	170.8 Å²	170.8	94%	0.936	82%	0.818	S	S	*	*			trans	-75.2	117.3	168.7	-80.1	175	161.7	170.1	-5.2	109.7	K738	K738-R740 PolarHBondContact O-N 2.77Å
741	S	28.6	Very low	30	Very low	120 Å²	120	171.4 Å²	171.4	84%	0.839	83%	0.826	S	S	*	*			trans	-105.5	136.1	153.4	54.4	0	0	0	0	109.3	H739	H739-S741 PolarHBondContact O-N 2.74Å
742	R	29	Very low	30	Very low	252 Å²	252	164.8 Å²	164.8	95%	0.951	82%	0.816	S	S	*	*			trans	-96.8	127.5	175.7	-73.9	170	163.9	159.3	-7.9	108.8
743	S	29.4	Very low	29.8	Very low	121 Å²	121	164.7 Å²	164.7	85%	0.846	82%	0.815	S	S	*	*			trans	-114.2	122.7	158.2	47.3	0	0	0	0	108.9
744	R	29.3	Very low	29.8	Very low	249 Å²	249	168.3 Å²	168.3	94%	0.94	82%	0.824	S	S	*	*			trans	-89.1	152.4	173.9	-93.7	-179.3	166.5	170.8	-6.1	110
745	S	29.3	Very low	29.7	Very low	115 Å²	115	167.6 Å²	167.6	80%	0.804	82%	0.819	S	S	*	*			trans	-66.1	144.7	177.9	45.5	0	0	0	0	113.8
746	R	30.7	Very low	29.6	Very low	256 Å²	256	170.6 Å²	170.6	97%	0.966	82%	0.818	S	S	*	*			trans	-136.2	152.2	142.8	-86.9	-173.4	166.1	175.4	-4.9	107.2
747	G	28.4	Very low	29.7	Very low	67 Å²	67	163.6 Å²	163.6	69%	0.691	80%	0.804	S	S	*	*			trans	-152	-155	-174.6	0	0	0	0	0	112.2
748	R	30	Very low	29.6	Very low	242 Å²	242	162.8 Å²	162.8	91%	0.913	80%	0.801	S	S	*	*			trans	75	145.7	-162.8	-63.1	-178.6	76.6	162.4	5.5	113.3
749	S	29.4	Very low	29.6	Very low	74 Å²	74	158 Å²	158	52%	0.517	79%	0.791	S	S	.	*			cis	-173.5	157	-19.2	47.2	0	0	0	0	110.3
750	Q	31.5	Very low	29.5	Very low	179 Å²	179	157.8 Å²	157.8	84%	0.836	79%	0.788	S	S	*	*			trans	66.9	153.4	162.7	-71.9	163.7	-35	0	0	115.6
751	S	28.6	Very low	29.6	Very low	96 Å²	96	151.2 Å²	151.2	67%	0.671	78%	0.78	S	S	*	*			cis	-160.2	-177.8	-16.9	48.6	0	0	0	0	109.3
752	S	29.5	Very low	29.5	Very low	97 Å²	97	149.4 Å²	149.4	68%	0.678	78%	0.78	S	S	*	*			trans	31.3	132	143.8	57.8	0	0	0	0	119.8
753	S	30.9	Very low	29.5	Very low	94 Å²	94	141.4 Å²	141.4	66%	0.657	78%	0.776	S	S	*	*			cis	176.4	171.4	14	43.1	0	0	0	0	110.4
754	Q	32.8	Very low	29.5	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	78%	0.78	S	S	*	*			trans	64.2	113.3	164.2	-66	170	4.3	0	0	115.5
755	S	28.9	Very low	29.6	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	78%	0.778	S	S	*	*			cis	85.8	136.1	44.4	81	0	0	0	0	114.6
756	R	29.6	Very low	29.5	Very low	240 Å²	240	139.8 Å²	139.8	91%	0.906	78%	0.777	S	S	*	*			trans	72.8	151	172.7	-61.9	-178.7	174.1	-173.8	-1.8	116.2
757	S	29.6	Very low	29.4	Very low	82 Å²	82	133.5 Å²	133.5	57%	0.573	77%	0.773	S	S	*	*			cis	-177.5	155.1	-28.7	57.7	0	0	0	0	109
758	R	29.8	Very low	29.5	Very low	234 Å²	234	138 Å²	138	88%	0.883	78%	0.779	S	S	*	*			trans	67.5	156.2	159.6	-68.5	170.2	-179.8	-177.3	-1.5	115.2
759	S	29	Very low	29.3	Very low	90 Å²	90	131 Å²	131	63%	0.629	77%	0.774	S	S	*	*			cis	-174.7	170.7	-23.3	51.9	0	0	0	0	110.4
760	F	28	Very low	29.3	Very low	187 Å²	187	131.9 Å²	131.9	82%	0.82	78%	0.78	S	S	*	*			trans	76.3	105.5	156.7	-86.6	-77.7	0	0	0	120.2
761	S	28.5	Very low	29.1	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	78%	0.776	S	S	*	*				58.1	127.6	126	65.5	0	0	0	0	122.9
762	G	28.4	Very low	29	Very low	81 Å²	81	133.1 Å²	133.1	84%	0.835	78%	0.783	S	S	*	*				117.9	157.8	123.4	0	0	0	0	0	116.9
763	G	28.3	Very low	28.8	Very low	85 Å²	85	135.5 Å²	135.5	88%	0.876	79%	0.788	S	S	*	*			trans	107.2	108.3	167.5	0	0	0	0	0	115.5
764	R	29.9	Very low	28.6	Very low	247 Å²	247	136.1 Å²	136.1	93%	0.932	79%	0.792	S	S	*	*			trans	-75.9	153.7	163.2	-76.8	172	159	176.3	-7.6	110.5
765	S	29.7	Very low	28.2	Very low	126 Å²	126	133.1 Å²	133.1	88%	0.881	79%	0.79	S	S	*	*			trans	52.8	110.5	139.3	-177.2	0	0	0	0	119.3
766	G	27.8	Very low	28.1	Very low	77 Å²	77	136.2 Å²	136.2	79%	0.794	80%	0.798	S	S	*	*			trans	-147.8	137.2	163.1	0	0	0	0	0	111.2
767	S	28	Very low	28	Very low	124 Å²	124	130.5 Å²	130.5	87%	0.867	80%	0.795	S	S	*	*			trans	-80.4	160.4	-176.6	-168.9	0	0	0	0	113.2
768	I	30.5	Very low	27.8	Very low	161 Å²	161	129.9 Å²	129.9	83%	0.826	80%	0.802	S	S	*	*			trans	-63.5	139	173	-64.5	166	0	0	0	110.8
769	A	27.1	Very low	27.8	Very low	97 Å²	97	125.3 Å²	125.3	80%	0.802	80%	0.795	S	S	*	*			trans	-121.3	160.8	155.5	0	0	0	0	0	109.1
770	S	28.1	Very low	27.7	Very low	92 Å²	92	129.7 Å²	129.7	64%	0.643	80%	0.803	S	S	*	*			trans	-123.3	165.9	-154.3	54.6	0	0	0	0	115.8
771	N	27.6	Very low	27.7	Very low	142 Å²	142	130 Å²	130	76%	0.759	80%	0.804	S	S	*	*			trans	73.6	133.3	162.8	-51.6	-33.7	0	0	0	117.8
772	L	26.8	Very low	27.7	Very low	158 Å²	158	130.6 Å²	130.6	83%	0.827	81%	0.809	S	S	*	*				-171.5	155.2	103	-95.1	163.6	0	0	0	113.5
773	L	26.3	Very low	27.7	Very low	148 Å²	148	133.8 Å²	133.8	78%	0.775	81%	0.807	S	S	*	*			trans	-30.2	143.7	171.5	-56.5	167.9	0	0	0	115.8
774	S	25.1	Very low	27.7	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	80%	0.804	S	S	*	*			cis	91.1	98.3	32.5	84.7	0	0	0	0	116.8
775	S	25.8	Very low	28.6	Very low	110 Å²	110	130 Å²	130	77%	0.769	80%	0.796	S	S	*	*			trans	-158.6	154.4	150.4	87.3	0	0	0	0	107.6
776	L	26.4	Very low	28.5	Very low	162 Å²	162	129 Å²	129	85%	0.848	79%	0.789	S	S	*	*			cis	68.8	132.8	25.1	-61.6	177.5	0	0	0	113.7
777	S	27.3	Very low	28.6	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	79%	0.79	S	S	*	*			cis	-157.3	167.9	2.3	52.8	0	0	0	0	112.5
778	G	25.2	Very low	30	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	79%	0.786	S	S	*	*			trans	128.8	146.5	162.2	0	0	0	0	0	115.7
779	N	29.3	Very low	30.9	Very low	138 Å²	138	128.5 Å²	128.5	74%	0.738	78%	0.782	S	S	*	*			cis	-163.4	170.1	-11.5	-151.2	-3.4	0	0	0	112.2
780	F	27.3	Very low	31.1	Very low	181 Å²	181	128.6 Å²	128.6	79%	0.794	78%	0.777	S	S	*	*			trans	83.2	159.7	165.7	-75	-72.8	0	0	0	122.7
781	F	28.3	Very low	31.3	Very low	193 Å²	193	130.3 Å²	130.3	85%	0.846	78%	0.783	S	S	*	*			trans	-105.7	159.7	-161.4	-74.9	-118.3	0	0	0	113.9
782	S	28.1	Very low	31.6	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	79%	0.785	S	S	*	*				169.2	177.2	115.9	50.2	0	0	0	0	113.3
783	N	29.1	Very low	32.3	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	78%	0.782	S	S	*	*			trans	-132.6	145.3	-157.4	-85.3	-28.6	0	0	0	114.9
784	V	27.7	Very low	32.5	Very low	136 Å²	136	130.2 Å²	130.2	82%	0.824	78%	0.779	S	S	*	*			trans	68.6	156.6	146.3	170.5	0	0	0	0	116.7
785	P	49.1	Very low	32.8	Very low	116 Å²	116	130.3 Å²	130.3	75%	0.753	78%	0.78	S	S	*	*			cis	-113.6	-131.3	0.6	27.6	-1.6	0	0	0	113
786	S	28	Very low	32.8	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	79%	0.789	S	S	*	*			cis	-168.8	168.4	5.6	20.7	0	0	0	0	113.8
787	S	28.7	Very low	32.8	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	79%	0.789	S	S	*	*			trans	-141.2	-179.5	174.8	-43.6	0	0	0	0	110.6
788	P	59.4	Low	32.7	Very low	120 Å²	120	133.2 Å²	133.2	78%	0.779	79%	0.785	S	S	*	*			cis	-106.7	-120	-19.3	41.1	-24.8	0	0	0	110.4
789	P	48.9	Very low	32.9	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	79%	0.789	S	S	*	*			cis	-103.9	-167.5	-7.8	44.3	-34	0	0	0	113.1
790	S	31.4	Very low	33.7	Very low	98 Å²	98	135 Å²	135	69%	0.685	79%	0.79	S	S	*	*			cis	83.4	141.9	15.7	-141.8	0	0	0	0	117.5
791	T	31.5	Very low	33.6	Very low	128 Å²	128	131.2 Å²	131.2	79%	0.785	79%	0.791	S	S	*	*			cis	-150.6	164.7	10.4	-31.3	0	0	0	0	114.9
792	R	33.5	Very low	33.7	Very low	213 Å²	213	127.7 Å²	127.7	80%	0.804	79%	0.791	S	S	*	*			trans	-62.2	171.2	165.3	-79.3	-178.3	172.7	-179.8	-1.6	114.7
793	P	42.9	Very low	33.7	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	79%	0.785	S	S	*	*				-142	-168.1	99.8	38.1	-23.2	0	0	0	114
794	T	29.9	Very low	33.6	Very low	116 Å²	116	130.8 Å²	130.8	71%	0.712	79%	0.789	S	S	*	*				-155.2	167.1	-84.6	32.1	0	0	0	0	111
795	S	30.7	Very low	34.6	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	79%	0.789	S	S	*	*			trans	-73.9	154.5	175.5	49.3	0	0	0	0	114.4
796	R	25.5	Very low	33.5	Very low	252 Å²	252	128.4 Å²	128.4	95%	0.951	79%	0.79	S	S	*	*			trans	-172.6	161.6	133.1	-108.9	177.3	-177.7	-148.4	-1.6	112.9
797	C	26.5	Very low	33.4	Very low	127 Å²	127	130 Å²	130	86%	0.858	80%	0.795	S	S	*	*			trans	-114.2	158.3	166.8	-172.7	0	0	0	0	108.8
798	G	24.9	Very low	34.3	Very low	73 Å²	73	129.4 Å²	129.4	75%	0.753	79%	0.789	S	S	*	*			trans	-176.7	128.4	175.8	0	0	0	0	0	113.1
799	T	30.7	Very low	32.8	Very low	131 Å²	131	129.2 Å²	129.2	80%	0.804	79%	0.785	S	S	*	*			trans	-99.6	170.3	173.7	58.8	0	0	0	0	109.9
800	P	45.1	Very low	31.8	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	79%	0.787	S	S	*	*				-153.9	177.8	83.9	40.9	-21.5	0	0	0	116.7
801	A	26.5	Very low	31.7	Very low	101 Å²	101	133.2 Å²	133.2	84%	0.835	79%	0.787	S	S	*	*			trans	64	127.7	168.6	0	0	0	0	0	116.8
802	S	28.8	Very low	31.5	Very low	119 Å²	119	138.5 Å²	138.5	83%	0.832	79%	0.792	S	S	*	*			cis	-153.7	-171.1	4.9	61	0	0	0	0	108.8
803	S	28.1	Very low	31.5	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	79%	0.786	S	S	*	*			cis	-151	-145.7	12	66.6	0	0	0	0	112
804	R	28.3	Very low	30.7	Very low	231 Å²	231	136.7 Å²	136.7	87%	0.872	79%	0.792	S	S	*	*			trans	-163.1	171.8	177.5	-103.9	-173.4	178.7	-165.1	-0.2	108.1
805	P	48.6	Very low	30.7	Very low	127 Å²	127	138.7 Å²	138.7	83%	0.825	79%	0.793	S	S	*	*			cis	-125.4	-172.3	-7.8	37.2	-19.5	0	0	0	113.2
806	G	25.3	Very low	30.6	Very low	75 Å²	75	141 Å²	141	77%	0.773	80%	0.796	S	S	*	*			trans	168.3	87.9	168.8	0	0	0	0	0	117.1
807	T	26.9	Very low	30.6	Very low	138 Å²	138	132.2 Å²	132.2	85%	0.847	79%	0.785	S	S	*	*			trans	-150.9	166.1	171.9	46.4	0	0	0	0	108.5
808	P	47.9	Very low	30.7	Very low	104 Å²	104	134.5 Å²	134.5	68%	0.675	79%	0.787	S	S	*	*			cis	-133	-159.9	-15.3	26.2	0.4	0	0	0	112.5
809	T	26.3	Very low	31	Very low	116 Å²	116	136.3 Å²	136.3	71%	0.712	78%	0.784	S	S	*	*			trans	42.5	147.1	141	45.1	0	0	0	0	122.7
810	E	27.5	Very low	31	Very low	166 Å²	166	137.5 Å²	137.5	78%	0.776	79%	0.786	S	S	*	*			cis	-163.9	-175.8	-1.9	-137.9	-176.1	155.8	0	0	113.5
811	L	29.7	Very low	30.2	Very low	131 Å²	131	135.4 Å²	135.4	69%	0.686	78%	0.784	S	S	*	*			trans	-39.5	137	172.4	-76.8	153.1	0	0	0	120.3	V813	L811-V813 HydrophobicContact CD2-CG2 4.4Å
812	R	27.9	Very low	30.4	Very low	240 Å²	240	137.9 Å²	137.9	91%	0.906	79%	0.79	S	S	*	*				-179.6	135.9	120.8	-99.2	175.6	161.1	151.1	-2.6	108.9
813	V	34.2	Very low	30.4	Very low	109 Å²	109	136.7 Å²	136.7	66%	0.661	79%	0.787	S	S	*	*			cis	82.5	96.5	35.1	-177.7	0	0	0	0	114.7	L811	L811-V813 HydrophobicContact CD2-CG2 4.4Å
814	M	24.4	Very low	30.5	Very low	183 Å²	183	136.9 Å²	136.9	90%	0.901	80%	0.795	S	S	*	*				-157.6	129.2	129.9	-69.7	-164.5	176.4	0	0	104.9
815	E	30.9	Very low	30.4	Very low	157 Å²	157	128.8 Å²	128.8	73%	0.734	78%	0.783	S	S	*	*			cis	92.7	140.8	32.1	-148.7	-161.5	158.5	0	0	114.4
816	L	28.3	Very low	29.6	Very low	158 Å²	158	128.4 Å²	128.4	83%	0.827	78%	0.783	S	S	*	*			trans	70.8	145.2	177	-48	176.5	0	0	0	115.9
817	G	26.6	Very low	30	Very low	69 Å²	69	132.9 Å²	132.9	71%	0.711	78%	0.784	S	S	*	*			cis	143.1	135.6	-4.3	0	0	0	0	0	111.7
818	L	28.6	Very low	30.4	Very low	174 Å²	174	132.8 Å²	132.8	91%	0.911	78%	0.779	S	S	*	*			trans	-164.3	161.3	174.2	-110.1	169.6	0	0	0	112.2
819	T	30.9	Very low	29.7	Very low	111 Å²	111	134.1 Å²	134.1	68%	0.681	79%	0.785	S	S	*	*			trans	-140.9	173	-163.8	52.6	0	0	0	0	115.3
820	D	30.8	Very low	29.8	Very low	157 Å²	157	132.2 Å²	132.2	84%	0.84	79%	0.788	S	S	*	*			trans	85.8	141.4	152.5	-59.5	-56.7	0	0	0	123.6
821	G	28.2	Very low	30.1	Very low	70 Å²	70	135.5 Å²	135.5	72%	0.722	79%	0.794	S	S	*	*			trans	91.7	147.6	160.4	0	0	0	0	0	118.2
822	T	29.3	Very low	31.1	Very low	154 Å²	154	134.9 Å²	134.9	95%	0.945	80%	0.797	S	S	*	*			cis	-157.6	179.9	-9.4	-41.2	0	0	0	0	109.8
823	A	29.2	Very low	31.6	Very low	93 Å²	93	127.2 Å²	127.2	77%	0.769	79%	0.785	S	S	*	*			trans	-96.7	178.9	-159.4	0	0	0	0	0	119.4
824	A	29.9	Very low	31.7	Very low	111 Å²	111	131.5 Å²	131.5	92%	0.917	80%	0.798	S	S	*	*			trans	75.8	149.4	164.1	0	0	0	0	0	119.1
825	G	27.3	Very low	32	Very low	61 Å²	61	125.7 Å²	125.7	63%	0.629	79%	0.785	S	S	*	*			cis	169.8	168.7	-7.2	0	0	0	0	0	113
826	S	31.3	Very low	32.4	Very low	119 Å²	119	123.6 Å²	123.6	83%	0.832	79%	0.788	S	S	*	*			trans	53.5	149.2	162.6	41.9	0	0	0	0	120.2
827	E	33.9	Very low	32.8	Very low	170 Å²	170	124.5 Å²	124.5	79%	0.794	79%	0.788	S	S	*	*			cis	-157.7	141.9	-0.7	-110	171.5	148.7	0	0	108.2
828	N	35.1	Very low	33.3	Very low	136 Å²	136	125.3 Å²	125.3	73%	0.727	78%	0.783	S	S	*	*				57.6	116.8	92	-153.4	17.7	0	0	0	114.2
829	T	32.4	Very low	33.7	Very low	132 Å²	132	125.6 Å²	125.6	81%	0.81	78%	0.779	S	S	*	*				-168	168.5	67.2	46	0	0	0	0	110.8
830	G	29.1	Very low	33.6	Very low	75 Å²	75	123.3 Å²	123.3	77%	0.773	78%	0.778	S	S	*	*			cis	-168.7	-169.8	7.4	0	0	0	0	0	114.2
831	R	33.7	Very low	33.9	Very low	236 Å²	236	119.9 Å²	119.9	89%	0.891	77%	0.772	S	S	*	*			trans	-111.5	-172.7	-170.8	-112.3	-174.9	-174.1	-169.9	3.1	112.1
832	P	51.8	Low	34.3	Very low	117 Å²	117	122.3 Å²	122.3	76%	0.76	77%	0.773	S	S	*	*			cis	-117.7	161.4	13.7	10.1	17.5	0	0	0	115.2
833	A	37.4	Very low	34.6	Very low	80 Å²	80	121.7 Å²	121.7	66%	0.661	76%	0.764	S	S	*	*				76.6	147.5	70	0	0	0	0	0	114
834	E	36	Very low	34.8	Very low	198 Å²	198	127.1 Å²	127.1	93%	0.925	77%	0.77	S	S	*	*			cis	-136.9	175.7	12.1	-58.2	177	135	0	0	110.2
835	G	32.1	Very low	34.9	Very low	61 Å²	61	129.1 Å²	129.1	63%	0.629	77%	0.765	S	S	*	*			cis	-166.9	141.1	-2.5	0	0	0	0	0	109.4
836	S	37.7	Very low	35.2	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	77%	0.769	S	S	*	*				80.1	136.4	95.7	61.3	0	0	0	0	114.9
837	Q	37.8	Very low	35.4	Very low	176 Å²	176	135 Å²	135	82%	0.822	76%	0.761	S	S	*	*			cis	-169.9	-179.3	-3.4	-113	-174.2	-114.9	0	0	106.8
838	S	37.2	Very low	35.4	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	76%	0.761	S	S	*	*			cis	-176.1	169.6	-27.2	49.3	0	0	0	0	105.4
839	Q	36.1	Very low	35.5	Very low	180 Å²	180	132.1 Å²	132.1	84%	0.841	77%	0.769	S	S	*	*			cis	-161.6	178.8	5.3	-140.4	164.1	-42.4	0	0	105.6
840	G	29.5	Very low	35.8	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	77%	0.766	S	S	*	*			cis	-144.6	-159.3	0.2	0	0	0	0	0	109.7
841	A	35.8	Very low	36.3	Very low	85 Å²	85	138.8 Å²	138.8	70%	0.702	79%	0.794	S	S	*	*			cis	84.9	128.7	16.5	0	0	0	0	0	116.1
842	T	36.9	Very low	36.4	Very low	121 Å²	121	134 Å²	134	74%	0.742	79%	0.789	S	S	*	*			cis	-166.2	153.3	-4.4	11.3	0	0	0	0	112.9
843	D	36.2	Very low	35.6	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	79%	0.79	S	S	*	*			trans	14.8	138.5	153.7	-44.6	-24.6	0	0	0	124
844	K	32.6	Very low	35.5	Very low	207 Å²	207	137.9 Å²	137.9	90%	0.9	80%	0.797	S	S	*	*				-178.4	173.5	106.3	-99	170.1	-175.4	175.1	0	116.3
845	N	33.8	Very low	35.5	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	79%	0.79	S	S	*	*			trans	-88.6	168.3	-166.1	-76.1	-31.1	0	0	0	117.3
846	K	33.1	Very low	35.7	Very low	161 Å²	161	138.9 Å²	138.9	70%	0.7	80%	0.8	S	S	*	*			trans	110	125.4	131.8	-107.9	177.9	176.6	-80.8	0	120.9
847	E	34.3	Very low	35.6	Very low	143 Å²	143	140.6 Å²	140.6	67%	0.668	80%	0.8	S	S	*	*			trans	60.8	111.1	139	-77.9	158.7	-176.9	0	0	124.2
848	C	34.3	Very low	35.4	Very low	118 Å²	118	138.1 Å²	138.1	80%	0.797	80%	0.799	S	S	*	*				56.9	138.1	121.6	-62.1	0	0	0	0	125
849	S	38.1	Very low	35.3	Very low	127 Å²	127	142.1 Å²	142.1	89%	0.888	81%	0.814	S	S	*	*			trans	98.2	141.5	140.6	77.3	0	0	0	0	121
850	G	38.3	Very low	35.2	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	81%	0.812	S	S	*	*			trans	90.7	123.1	176.1	0	0	0	0	0	114.1
851	M	39.3	Very low	35.7	Very low	273 Å²	273	145.7 Å²	145.7	100%	1.345	83%	0.825	S	S	*	*			cis	-131.2	0	-5.1	-85	-176.8	161.1	0	0	110.1

Retrieved 851 of 851 residues in 921.7 ms (Link to these results)

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