A0A087YD66_POEFO Loading...

Zinc finger protein 800

AlphaFold DB , UniProt , Accession A0A087YD66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 901 aa.

						>A0A087YD66_POEFO|A0A087YD66
MAKAQKSPGRKTAHCLRRQGGGQTDMEELNVDTQHPPQDQSKGGDQILIQNSPPAGSLSENCEHKEAPVEAQEKSDTSAQPQAKSLWKPIPPLVPELHRSTETRDQSCQTEEQGQPPAANNDGHNAGLCAEPGDPPLLQQPLQTSKSGIQQIIECFRSGTNQLRTMLLREVDTIFECKLCRSLFRGLPNLITHKEYYCLSRLPESDGSSGDDRQSVAMKDLLDAIYPRADRPDYVVRLEPIQTTNKAVFQYLTTEEELARFPSHTTSARESPVAWEGETMEGVENNPDSQPNAPESHVSPVPKTWEADDEAKEEQPKPEDEGSNSGVEDVTISCCLCGQDFNSRRSIRRHCRKMHQTKLEELRKFTETRTVPTSLLSMVKGRPRTLSMPTGKSCPVCLKTFATKANVRRHFDEVHRGLRRDTITPNIASRPGQPFTLEVTPPKKSNNSSPTRAHSSKTTPVNSKTSASNQAQGKPQSKQTNSASCRCTLCKRNYSSQLMLKRHMRIVHKIYSVRSNKSGGTPSPAASASSANVSLSNNVRVKEEAMEPSDEDDDDSSPAPSPSNSNGTARGVPQAVLKVKEEESPSSPKVPSSTSSSSRGGSAYTNMAAKLSKLSVGFDFKQLFCKLCKRQFSSRQNLTKHIELHTDGNDIFIKFYRCPLCRYESRRKRDVLRHVTVVHKKSSQYLAKIMPKLESRAVKRLAEAVLNSTKRTGGSAKEEMNGRHISSSSSSSSSSSPSPPITRKQEASTSASAATSASAPPAAPITRKQQELSSPVPTPSPPVTRKQERQQTAHQSRPVSPPLTRRSEKHSLSRSASSSTPSSNQTPHTRRHDAQSESSPVTSSTEVKVTKNFSLHACDQCGRAFAKKLYLESHKRSHRNATVGAASRRKGVSTRSKSLVW
					

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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	30.2	Very low	37.5	Very low	240 Å²	240	156.8 Å²	156.8	100%	1.182	84%	0.84	S	S	*	*				0	111.2	0	-65.9	165.7	176.2	0	0	106.5
2	A	34	Very low	37.3	Very low	93 Å²	93	155 Å²	155	77%	0.769	84%	0.839	S	S	*	*				80	143.7	89	0	0	0	0	0	112.7
3	K	37	Very low	36.7	Very low	205 Å²	205	151.4 Å²	151.4	89%	0.891	84%	0.844	S	S	*	*			cis	-164.5	163.7	-8.1	-108.4	174.5	179.9	179.6	0	107.7
4	A	37.1	Very low	36.3	Very low	82 Å²	82	153.4 Å²	153.4	68%	0.678	84%	0.842	S	S	*	*			cis	-171.5	130.2	-45.3	0	0	0	0	0	111.8
5	Q	44.8	Very low	35.9	Very low	161 Å²	161	149.7 Å²	149.7	75%	0.752	83%	0.831	S	S	*	*			trans	70.5	173	164.9	-52.2	-172.6	-13.6	0	0	116.7
6	K	36.8	Very low	35.4	Very low	185 Å²	185	150.4 Å²	150.4	80%	0.804	83%	0.831	S	S	*	*			cis	-157.8	169.6	15.2	-149.1	151	-172.1	148.6	0	114.1
7	S	37.6	Very low	35.2	Very low	103 Å²	103	153.9 Å²	153.9	72%	0.72	83%	0.829	S	S	*	*			trans	-124	163.8	168.7	62.2	0	0	0	0	111.2
8	P	53.9	Low	34.8	Very low	133 Å²	133	157.8 Å²	157.8	86%	0.864	83%	0.83	S	S	*	*				-147	-173	100.1	38.6	-20.2	0	0	0	112.6
9	G	29.2	Very low	34.8	Very low	75 Å²	75	158.2 Å²	158.2	77%	0.773	83%	0.827	S	S	*	*			cis	-170.5	179.3	3.3	0	0	0	0	0	113.3
10	R	38.6	Very low	34.4	Very low	238 Å²	238	154.3 Å²	154.3	90%	0.898	83%	0.827	S	S	*	*			trans	-86.5	161	-175.6	-68.4	174.9	168.7	173.7	-4.9	114.3
11	K	33.8	Very low	34	Very low	210 Å²	210	150.8 Å²	150.8	91%	0.913	83%	0.828	S	S	*	*				-161.1	158.4	123.6	-106.4	161.2	-173.5	179.4	0	112.3
12	T	34.9	Very low	33.9	Very low	135 Å²	135	143 Å²	143	83%	0.828	81%	0.809	S	S	*	*			trans	-143.8	145	-172.1	45.5	0	0	0	0	111
13	A	29.1	Very low	33.8	Very low	108 Å²	108	147.4 Å²	147.4	89%	0.893	81%	0.813	S	S	*	*			trans	-147.9	167.8	168.1	0	0	0	0	0	110.8
14	H	31.8	Very low	33.5	Very low	179 Å²	179	144.2 Å²	144.2	83%	0.829	81%	0.811	S	S	*	*			trans	-151.9	176.1	-162	-170.4	-94.7	0	0	0	110.9
15	C	29	Very low	33.2	Very low	99 Å²	99	147.8 Å²	147.8	67%	0.669	82%	0.819	S	S	*	*			trans	71.4	159.5	174.2	-74.9	0	0	0	0	116.2
16	L	29.4	Very low	32.5	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	82%	0.816	S	S	*	*			cis	-148	-164.9	0.8	-128.9	166.4	0	0	0	112.6
17	R	30.5	Very low	32.2	Very low	211 Å²	211	145.6 Å²	145.6	80%	0.796	81%	0.813	S	S	*	*			trans	-146.4	130.8	-165.4	168.7	-160.8	-176.9	-162.2	4.4	111.8
18	R	28.7	Very low	31.8	Very low	224 Å²	224	148.3 Å²	148.3	85%	0.845	82%	0.815	S	S	*	*			trans	176.5	157.5	151.3	-96.9	161.8	-174.5	-99.8	5.3	108.2
19	Q	34.7	Very low	30.6	Very low	164 Å²	164	148.7 Å²	148.7	77%	0.766	81%	0.808	S	S	*	*			cis	125	124.8	-8	-174.9	-177.7	32.4	0	0	112.7
20	G	27.4	Very low	30.5	Very low	81 Å²	81	152.1 Å²	152.1	84%	0.835	81%	0.809	S	S	*	*			trans	113.1	146.6	175.2	0	0	0	0	0	113.7
21	G	26.3	Very low	30.1	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	80%	0.8	S	S	*	*			cis	160.1	127.6	-14.3	0	0	0	0	0	115.2
22	G	27.2	Very low	29.7	Very low	76 Å²	76	142.8 Å²	142.8	78%	0.784	79%	0.791	S	S	*	*			trans	78.4	172.9	169.4	0	0	0	0	0	117
23	Q	31.5	Very low	29.5	Very low	186 Å²	186	141.4 Å²	141.4	87%	0.869	78%	0.783	S	S	*	*			cis	-167.5	-170.4	-36.4	-131.8	173.6	2	0	0	109.9
24	T	30.4	Very low	29.3	Very low	138 Å²	138	145 Å²	145	85%	0.847	78%	0.781	S	S	*	*			trans	69.2	135.1	-178	68.8	0	0	0	0	115.9
25	D	32.1	Very low	29	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	78%	0.782	S	S	*	*			cis	121.7	147.8	-12.1	-145.1	-16.6	0	0	0	116.1
26	M	30.2	Very low	30	Very low	141 Å²	141	145.6 Å²	145.6	70%	0.695	78%	0.783	S	S	*	*			trans	77	127.1	174.1	-58.2	-176.2	94.2	0	0	123.3
27	E	30.1	Very low	31.1	Very low	158 Å²	158	142.4 Å²	142.4	74%	0.738	77%	0.772	S	S	*	*			trans	59	168.9	135.8	-65.3	174	152.1	0	0	122.9
28	E	29.9	Very low	31	Very low	161 Å²	161	140.1 Å²	140.1	75%	0.752	77%	0.77	S	S	*	*				-158.6	-171.2	-56.7	-145.2	-151.7	112.9	0	0	110.7
29	L	27.6	Very low	30.9	Very low	140 Å²	140	134.3 Å²	134.3	73%	0.733	76%	0.756	S	S	*	*			trans	68.8	98.9	159.9	-66.9	164.9	0	0	0	123.7
30	N	27.8	Very low	30.6	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	76%	0.755	S	S	*	*				51.3	161.3	106.9	-152.5	24.6	0	0	0	125.6
31	V	28.9	Very low	30.5	Very low	115 Å²	115	134 Å²	134	70%	0.697	74%	0.741	S	S	*	*			trans	100.8	96.2	156.9	-168.3	0	0	0	0	121.5
32	D	27.2	Very low	30.6	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	74%	0.744	S	S	*	*				45.4	132.3	115.4	-117.5	-102.7	0	0	0	127.5
33	T	28.7	Very low	30.5	Very low	106 Å²	106	140.1 Å²	140.1	65%	0.65	75%	0.746	S	S	*	*				106.6	134.6	122.5	-111.3	0	0	0	0	126.4
34	Q	25.2	Very low	30.3	Very low	182 Å²	182	134.4 Å²	134.4	85%	0.85	74%	0.738	S	S	*	*			trans	86.2	158.4	150.3	-76.6	171.4	36	0	0	127.9
35	H	25.5	Very low	30.1	Very low	185 Å²	185	134.7 Å²	134.7	86%	0.856	73%	0.734	S	S	*	*			trans	-102.6	-161.3	-171.5	-116.8	-100	0	0	0	110.8
36	P	50.7	Low	29.9	Very low	107 Å²	107	134 Å²	134	70%	0.695	73%	0.726	S	S	*	*			cis	-128.7	-135.7	10.4	39.4	-15.2	0	0	0	111.8
37	P	51.9	Low	29.6	Very low	93 Å²	93	134.1 Å²	134.1	60%	0.604	73%	0.728	S	S	*	*			cis	-136.8	176	-24.3	40.1	-21.6	0	0	0	117.5
38	Q	29.9	Very low	29.3	Very low	163 Å²	163	133.4 Å²	133.4	76%	0.762	73%	0.728	S	S	*	*			trans	61.9	150.6	141.4	-78.4	172.9	-73.9	0	0	123.1
39	D	25.3	Very low	29	Very low	102 Å²	102	131.7 Å²	131.7	55%	0.545	72%	0.723	S	S	.	*			cis	-156.6	167.2	0.3	-134.8	-34	0	0	0	116.1
40	Q	28.1	Very low	28.9	Very low	161 Å²	161	132.3 Å²	132.3	75%	0.752	72%	0.722	S	S	*	*			trans	21	160.3	152.4	-79.1	163.1	81.4	0	0	124.6
41	S	26.7	Very low	28.7	Very low	77 Å²	77	132 Å²	132	54%	0.538	72%	0.72	S	S	.	*			cis	-177.4	170.2	-20.9	63.5	0	0	0	0	114
42	K	27.7	Very low	28.6	Very low	203 Å²	203	131.6 Å²	131.6	88%	0.883	72%	0.723	S	S	*	*			trans	69.5	150.4	164.1	-59.9	165.8	-175	174.8	0	117.2
43	G	24.8	Very low	29.6	Very low	82 Å²	82	131 Å²	131	85%	0.845	73%	0.726	S	S	*	*			cis	124.9	136.1	-0.9	0	0	0	0	0	112.3
44	G	26.6	Very low	30.9	Very low	66 Å²	66	131.2 Å²	131.2	68%	0.68	73%	0.73	S	S	*	*			cis	-173.4	-153.8	2.4	0	0	0	0	0	112.4
45	D	26.9	Very low	30.8	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	73%	0.729	S	S	*	*			trans	67.6	159.6	166.8	-61.1	-45.8	0	0	0	119.6
46	Q	28	Very low	30.8	Very low	143 Å²	143	121.9 Å²	121.9	67%	0.668	72%	0.722	S	S	*	*			cis	-167	153.3	-24.6	-109.3	175.1	62.9	0	0	110.4
47	I	24.8	Very low	29.7	Very low	142 Å²	142	122.4 Å²	122.4	73%	0.728	73%	0.728	S	S	*	*			trans	61.1	152.5	143.9	-70.2	175.7	0	0	0	119.3
48	L	23.5	Very low	28.3	Very low	144 Å²	144	125.8 Å²	125.8	75%	0.754	74%	0.74	S	S	*	*			cis	-175.8	175.2	-24.8	-171.8	69.1	0	0	0	108.1
49	I	23.9	Very low	27.9	Very low	124 Å²	124	122.2 Å²	122.2	64%	0.636	73%	0.733	S	S	*	*			trans	90.3	95.9	156.9	-55.4	-169.2	0	0	0	120.5
50	Q	24.5	Very low	27.9	Very low	153 Å²	153	124.4 Å²	124.4	72%	0.715	74%	0.74	S	S	*	*				60.6	155	122.1	-55.1	178.2	6.6	0	0	125.8
51	N	23.9	Very low	27.7	Very low	141 Å²	141	122.9 Å²	122.9	75%	0.754	74%	0.738	S	S	*	*			trans	94	108.6	144.9	-63.6	-32.7	0	0	0	121.7
52	S	27.7	Very low	27.6	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	75%	0.748	S	S	*	*			trans	-93.4	-174.7	148.8	-17.1	0	0	0	0	109.4
53	P	47.1	Very low	27.5	Very low	124 Å²	124	122.6 Å²	122.6	81%	0.805	74%	0.742	S	S	*	*			cis	-120.7	-104.3	-19.1	21.4	3.1	0	0	0	115.7
54	P	55.2	Low	27.7	Very low	111 Å²	111	125.9 Å²	125.9	72%	0.721	74%	0.735	S	S	*	*				-134.4	180	-118.8	43.7	-25.9	0	0	0	119.3
55	A	25.1	Very low	27.8	Very low	102 Å²	102	129.8 Å²	129.8	84%	0.843	73%	0.733	S	S	*	*			trans	87.7	156.2	146.1	0	0	0	0	0	121.3
56	G	23.9	Very low	27.7	Very low	68 Å²	68	129 Å²	129	70%	0.701	73%	0.725	S	S	*	*			trans	99.6	118.5	178.6	0	0	0	0	0	113.7
57	S	27.2	Very low	27.7	Very low	118 Å²	118	125.7 Å²	125.7	83%	0.825	72%	0.722	S	S	*	*			cis	101.1	100.1	14.6	84.8	0	0	0	0	116.8
58	L	23.4	Very low	29.5	Very low	164 Å²	164	124.5 Å²	124.5	86%	0.859	72%	0.723	S	S	*	*			trans	-151.1	133.6	165.3	-86.6	172.9	0	0	0	106.8
59	S	22.8	Very low	29.9	Very low	88 Å²	88	124.2 Å²	124.2	62%	0.615	73%	0.727	S	S	*	*				64.3	138.2	84.9	-72.2	0	0	0	0	114.3
60	E	24.6	Very low	30.3	Very low	148 Å²	148	127 Å²	127	69%	0.692	74%	0.737	S	S	*	*			cis	-170.9	167.6	-7.6	-126.6	165.8	92.9	0	0	111.6
61	N	24.4	Very low	30.7	Very low	130 Å²	130	123.4 Å²	123.4	70%	0.695	73%	0.734	S	S	*	*			trans	55.5	134.9	159.9	-56.6	-42.2	0	0	0	119.6
62	C	24.5	Very low	31	Very low	111 Å²	111	124.8 Å²	124.8	75%	0.75	74%	0.736	S	S	*	*			cis	95.8	125	26.2	-168.8	0	0	0	0	114.1
63	E	25	Very low	31.1	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	73%	0.728	S	S	*	*				179.7	137.4	127.7	-98.4	-166.7	130.9	0	0	113.6
64	H	29.1	Very low	30.3	Very low	151 Å²	151	127.1 Å²	127.1	70%	0.699	72%	0.722	S	S	*	*			trans	42.8	153.3	145.8	-67.4	-48.2	0	0	0	123.7
65	K	27.6	Very low	29.1	Very low	148 Å²	148	126.6 Å²	126.6	64%	0.643	72%	0.721	S	S	*	*			cis	-158.6	169.6	3.1	-123.2	161	159.9	-70.4	0	107.1
66	E	24.9	Very low	29.3	Very low	130 Å²	130	128.5 Å²	128.5	61%	0.607	72%	0.717	S	S	*	*			cis	-112.8	-172.7	0	-62.9	-69.2	-10.7	0	0	108.8
67	A	29.7	Very low	29.7	Very low	73 Å²	73	131 Å²	131	60%	0.603	72%	0.719	S	S	*	*			cis	69.3	165	16.4	0	0	0	0	0	116.4
68	P	62.5	Low	29.8	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	72%	0.718	S	S	*	*			cis	-70.2	-138.4	-23	-18.6	36.5	0	0	0	112.5
69	V	31.9	Very low	30.3	Very low	137 Å²	137	127.8 Å²	127.8	83%	0.83	72%	0.716	S	S	*	*			cis	-148.8	-165.3	13.6	-144	0	0	0	0	110.8
70	E	30.9	Very low	30.6	Very low	182 Å²	182	130.5 Å²	130.5	85%	0.85	72%	0.719	S	S	*	*			trans	-86.3	157.4	-171.9	-69	179.8	139.8	0	0	114.5
71	A	32.9	Very low	31.6	Very low	78 Å²	78	129.6 Å²	129.6	65%	0.645	73%	0.726	S	S	*	*			cis	-167.2	161.2	-16.3	0	0	0	0	0	111.4
72	Q	31.3	Very low	32.4	Very low	171 Å²	171	128.7 Å²	128.7	80%	0.799	72%	0.717	S	S	*	*			trans	65.3	154.2	160.6	-78.4	-170.8	-76.4	0	0	120
73	E	29.3	Very low	32.6	Very low	124 Å²	124	128 Å²	128	58%	0.579	72%	0.72	S	S	*	*			cis	-163.4	175.7	-29.8	-133.3	-166.8	138.5	0	0	112.7
74	K	31	Very low	33	Very low	156 Å²	156	128.9 Å²	128.9	68%	0.678	72%	0.721	S	S	*	*			trans	39.9	113.7	150.9	-81.4	-180	-178.8	109.2	0	122.9
75	S	29.2	Very low	33.1	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	73%	0.729	S	S	*	*				52.5	143.9	123.6	68.1	0	0	0	0	121.7
76	D	29.8	Very low	33.4	Very low	141 Å²	141	127.8 Å²	127.8	75%	0.754	74%	0.737	S	S	*	*			cis	-164.1	167.8	8.7	-135.7	-36.5	0	0	0	116
77	T	30.9	Very low	33.5	Very low	121 Å²	121	132.2 Å²	132.2	74%	0.742	75%	0.748	S	S	*	*			trans	54.3	112.9	154.1	42.9	0	0	0	0	125.3
78	S	30.8	Very low	33.8	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	76%	0.757	S	S	*	*				102.8	135.9	109.3	-157.2	0	0	0	0	124.7
79	A	33	Very low	32.3	Very low	100 Å²	100	138.1 Å²	138.1	83%	0.826	76%	0.761	S	S	*	*			trans	90.9	151	148.3	0	0	0	0	0	122.9
80	Q	30	Very low	32.3	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.673	76%	0.759	S	S	*	*			trans	-147	169.3	-166.4	-150.5	-175.5	44.9	0	0	110.1	Q82	Q80-Q82 HydrophobicContact CG-CG 4.43Å; Q80-Q82 VanDerWaalsContact OE1-NE2 3.09Å
81	P	44.5	Very low	32.8	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	75%	0.75	S	S	*	*				-148	-170.1	95.4	35.9	-16	0	0	0	115.2
82	Q	41.1	Very low	32.9	Very low	110 Å²	110	137.3 Å²	137.3	51%	0.514	76%	0.758	S	S	.	*			trans	-130.8	155.4	-164.2	-52.5	176.2	-0.8	0	0	115.7	Q80	Q80-Q82 HydrophobicContact CG-CG 4.43Å; Q80-Q82 VanDerWaalsContact OE1-NE2 3.09Å
83	A	28.7	Very low	32.8	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	76%	0.763	S	S	*	*			trans	-165.1	110.7	136.1	0	0	0	0	0	109.6
84	K	33.5	Very low	33.2	Very low	180 Å²	180	137.8 Å²	137.8	78%	0.783	77%	0.773	S	S	*	*				71.7	110.4	66.6	-74.5	171.7	166.8	149.9	0	114.7
85	S	32.2	Very low	33.6	Very low	123 Å²	123	136.3 Å²	136.3	86%	0.86	78%	0.78	S	S	*	*			trans	-102.1	147.9	179	46.2	0	0	0	0	112.3
86	L	32.7	Very low	33.6	Very low	154 Å²	154	141 Å²	141	81%	0.806	79%	0.79	S	S	*	*			trans	-132.5	89.3	-172	-89.6	167.9	0	0	0	112.8
87	W	26.7	Very low	33.4	Very low	222 Å²	222	141.1 Å²	141.1	84%	0.841	79%	0.79	S	S	*	*			trans	-144.3	128.6	154.5	-84.2	85.7	0	0	0	108.4	L142	W87-L142 HydrophobicContact CH2-CD1 4.19Å; W87-L142 HydrophobicContact CZ3-CD1 4.49Å
88	K	35.9	Very low	33.4	Very low	185 Å²	185	142.1 Å²	142.1	80%	0.804	79%	0.786	S	S	*	*			trans	-127.7	145.1	174.8	-71.5	-176.7	177.1	-178.8	0	109.3
89	P	32.5	Very low	33.2	Very low	129 Å²	129	147.2 Å²	147.2	84%	0.838	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-65.9	154.8	172.9	-19.1	32.7	0	0	0	112.6
90	I	31.9	Very low	32.9	Very low	154 Å²	154	146.8 Å²	146.8	79%	0.79	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-96.5	131.6	174.1	-58.8	175.5	0	0	0	108.8
91	P	41.7	Very low	32.7	Very low	103 Å²	103	146 Å²	146	67%	0.669	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.9	158.1	177.1	-18.9	32.7	0	0	0	113.8
92	P	34.3	Very low	31.9	Very low	123 Å²	123	148.3 Å²	148.3	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.5	142.5	170.5	31.8	-34.2	0	0	0	111.3
93	L	30	Very low	31.3	Very low	175 Å²	175	149 Å²	149	92%	0.916	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-95.4	133.9	175.1	-66.2	174	0	0	0	110.9
94	V	37.3	Very low	31.3	Very low	130 Å²	130	154.8 Å²	154.8	79%	0.788	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-99.5	141.9	171.8	-178.9	0	0	0	0	108.5
95	P	38.1	Very low	31.1	Very low	126 Å²	126	151 Å²	151	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-79.1	127.7	175.1	-7.8	25.5	0	0	0	111.3
96	E	29.8	Very low	31.4	Very low	198 Å²	198	153.6 Å²	153.6	93%	0.925	78%	0.784	S	S	*	*			trans	-139.1	163.3	169.8	-159.2	153.3	-134	0	0	109.8
97	L	26.6	Very low	31.2	Very low	144 Å²	144	150.4 Å²	150.4	75%	0.754	77%	0.774	S	S	*	*			trans	-132.1	153.7	-150.2	-158.5	69.3	0	0	0	113.3
98	H	30	Very low	31.4	Very low	143 Å²	143	145.2 Å²	145.2	66%	0.662	77%	0.771	S	S	*	*			trans	82.3	121	169.1	-70.5	-83	0	0	0	120.9
99	R	26.8	Very low	31.2	Very low	221 Å²	221	142.1 Å²	142.1	83%	0.834	76%	0.759	S	S	*	*				49	155.4	122.3	-70.7	-166.8	-170	-164.9	5.2	122.5
100	S	25.8	Very low	31.1	Very low	92 Å²	92	143.1 Å²	143.1	64%	0.643	76%	0.763	S	S	*	*			cis	176.6	129.4	-29.7	52.2	0	0	0	0	110.9
101	T	26.4	Very low	31.3	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	75%	0.751	S	S	*	*			trans	-165.3	122.7	154.3	34.8	0	0	0	0	105.6
102	E	28	Very low	30.7	Very low	179 Å²	179	145.6 Å²	145.6	84%	0.836	76%	0.762	S	S	*	*				62.3	130.9	80.2	-63.9	-172.9	173.6	0	0	112.4
103	T	29	Very low	30.5	Very low	126 Å²	126	145.7 Å²	145.7	77%	0.773	75%	0.752	S	S	*	*			cis	-147.8	156.9	41.4	57	0	0	0	0	114.5
104	R	28.7	Very low	30.4	Very low	218 Å²	218	141.1 Å²	141.1	82%	0.823	75%	0.748	S	S	*	*			trans	69.4	135.9	141.5	-144.8	171	-170.3	158.3	7	120.6
105	D	29	Very low	30.2	Very low	100 Å²	100	143.8 Å²	143.8	54%	0.535	75%	0.751	S	S	.	*			cis	-147.6	132.7	-18.1	-96.4	-18	0	0	0	105.7
106	Q	38.6	Very low	31.1	Very low	177 Å²	177	143 Å²	143	83%	0.827	75%	0.747	S	S	*	*				59.9	142.2	88.7	-66.4	-172.7	7.6	0	0	115.8
107	S	29.1	Very low	31.7	Very low	88 Å²	88	139.6 Å²	139.6	62%	0.615	74%	0.741	S	S	*	*			cis	-156.2	-174.7	-16.4	-144.1	0	0	0	0	106.8
108	C	30	Very low	31.8	Very low	113 Å²	113	137.2 Å²	137.2	76%	0.764	74%	0.743	S	S	*	*			cis	-125.3	173.2	10.2	-68.6	0	0	0	0	110.1
109	Q	31.8	Very low	31.9	Very low	120 Å²	120	134.5 Å²	134.5	56%	0.561	75%	0.745	S	S	*	*			cis	86.2	125.2	22	-81.8	-172.4	-49.4	0	0	118.4	E111	Q109-E111 HydrophobicContact CG-CG 4.4Å; Q109-E111 PolarHBondContact NE2-OE1 2.59Å; Q109-E111 PolarHBondContact NE2-OE2 3.2Å
110	T	31	Very low	31.9	Very low	150 Å²	150	130.9 Å²	130.9	92%	0.92	74%	0.742	S	S	*	*			trans	-145.1	127.7	145.7	-44.2	0	0	0	0	106
111	E	35.2	Very low	32.2	Very low	113 Å²	113	132.9 Å²	132.9	53%	0.528	75%	0.746	S	S	.	*			trans	-119.5	168.6	-169	-55	-180	103	0	0	111.6	Q109 Q113	Q109-E111 HydrophobicContact CG-CG 4.4Å; Q109-E111 PolarHBondContact NE2-OE1 2.59Å; Q109-E111 PolarHBondContact NE2-OE2 3.2Å; E111-Q113 PolarHBondContact OE1-NE2 3.24Å
112	E	28.8	Very low	32.6	Very low	195 Å²	195	133.9 Å²	133.9	91%	0.911	75%	0.746	S	S	*	*				-150.8	147	128.6	-137.1	-171.6	129.3	0	0	111.1
113	Q	31.9	Very low	32.8	Very low	125 Å²	125	127.9 Å²	127.9	58%	0.584	73%	0.732	S	S	*	*			trans	-102.3	161.7	-169.4	-96.8	75	-9	0	0	113	E111	E111-Q113 PolarHBondContact OE1-NE2 3.24Å
114	G	26.4	Very low	33.3	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	74%	0.741	S	S	*	*			trans	-155.3	111.8	158.1	0	0	0	0	0	109.9
115	Q	33.7	Very low	33.7	Very low	185 Å²	185	129 Å²	129	86%	0.864	74%	0.743	S	S	*	*			trans	-97.7	160.9	-169.1	-92.3	-173.2	-62.1	0	0	115
116	P	57	Low	34.2	Very low	111 Å²	111	128.8 Å²	128.8	72%	0.721	76%	0.755	S	S	*	*			trans	-100.8	176.3	-175.3	41.4	-37.2	0	0	0	114
117	P	42.2	Very low	33.8	Very low	125 Å²	125	123.7 Å²	123.7	81%	0.812	75%	0.75	S	S	*	*				-142.4	173.5	119.7	38	-25.5	0	0	0	113.1
118	A	29	Very low	34.3	Very low	95 Å²	95	128 Å²	128	79%	0.785	77%	0.765	S	S	*	*			cis	-170	168.7	-30.6	0	0	0	0	0	110
119	A	30.7	Very low	34.6	Very low	85 Å²	85	128.6 Å²	128.6	70%	0.702	77%	0.769	S	S	*	*			trans	76	112.2	161.7	0	0	0	0	0	122.4
120	N	28.8	Very low	35.6	Very low	145 Å²	145	127.3 Å²	127.3	78%	0.775	78%	0.779	S	S	*	*			trans	67.5	116	132.8	-54.9	0	0	0	0	119.8
121	N	32.2	Very low	36.8	Very low	135 Å²	135	126.9 Å²	126.9	72%	0.722	77%	0.767	S	S	*	*				72.3	129.9	74.3	-72.1	53.4	0	0	0	113.2
122	D	34.8	Very low	38	Very low	147 Å²	147	127.4 Å²	127.4	79%	0.786	78%	0.78	S	S	*	*			cis	-157.3	175.9	4.7	-113.2	-42.4	0	0	0	110.6
123	G	30.5	Very low	39.6	Very low	53 Å²	53	120.6 Å²	120.6	55%	0.546	76%	0.762	S	S	.	*			cis	170.5	8.3	0.6	0	0	0	0	0	117.5
124	H	39.2	Very low	41.4	Very low	207 Å²	207	119.2 Å²	119.2	96%	0.958	76%	0.759	S	S	*	*			trans	-65.4	138.2	-172.1	-85.4	-169	0	0	0	115
125	N	37.5	Very low	43.4	Very low	159 Å²	159	119.8 Å²	119.8	85%	0.85	75%	0.748	S	S	*	*			trans	-140.6	170.4	-161.9	-165.7	3.1	0	0	0	113.2
126	A	39.8	Very low	45.4	Very low	96 Å²	96	115.1 Å²	115.1	79%	0.793	73%	0.734	S	S	*	*			trans	76.6	144.2	173.1	0	0	0	0	0	117.6
127	G	29.7	Very low	45.9	Very low	70 Å²	70	116.3 Å²	116.3	72%	0.722	73%	0.733	S	S	*	*			cis	-148.1	129.8	2.6	0	0	0	0	0	114
128	L	40.2	Very low	47	Very low	178 Å²	178	117.5 Å²	117.5	93%	0.932	73%	0.732	S	S	*	*			trans	-101.8	107	164.7	-83.9	166.7	0	0	0	108.8	A130	L128-A130 PolarHBondContact O-N 3.08Å
129	C	37.2	Very low	48.9	Very low	126 Å²	126	118.5 Å²	118.5	85%	0.851	72%	0.72	S	S	*	*			trans	-69.3	98	172.6	-61.9	0	0	0	0	110.3	E131	C129-E131 PolarHBondContact O-N 2.8Å
130	A	52.7	Low	50.4	Low	94 Å²	94	122.5 Å²	122.5	78%	0.777	73%	0.725	S	S	*	*			trans	-72.3	101.1	165.3	0	0	0	0	0	108.9	L128	L128-A130 PolarHBondContact O-N 3.08Å
131	E	55.2	Low	52.4	Low	140 Å²	140	121.9 Å²	121.9	65%	0.654	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.9	173.5	-69.8	-139.5	106.2	0	0	110.7	C129 G133 R711	C129-E131 PolarHBondContact O-N 2.8Å; E131-G133 PolarHBondContact O-N 3.29Å; E131-G133 VanDerWaalsContact O-N 3.13Å; E131-R711 IonicContact OE2-CZ 3.85Å; E131-R711 IonicContact OE2-NH2 3.99Å; E131-R711 PolarHBondContact OE2-NH2 2.99Å
132	P	60.8	Low	54.2	Low	125 Å²	125	120.4 Å²	120.4	81%	0.812	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-56.8	118.1	170.9	-24.9	35	0	0	0	110.4
133	G	61.7	Low	55.5	Low	52 Å²	52	122.9 Å²	122.9	54%	0.536	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-68.7	136.8	178	0	0	0	0	0	111.3	E131 P135	E131-G133 PolarHBondContact O-N 3.29Å; E131-G133 VanDerWaalsContact O-N 3.13Å; G133-P135 WeakPolarHBondContact O-CD 3.31Å; G133-P135 WeakPolarHBondContact O-CG 3.42Å
134	D	69.6	Low	57.7	Low	96 Å²	96	123.5 Å²	123.5	51%	0.513	72%	0.72	S	S	.	*			trans	-47.4	100.3	179.5	-174.4	14.8	0	0	0	112.2	P136 L137	D134-P136 WeakPolarHBondContact OD1-CD 3.39Å; D134-L137 HydrophobicContact CB-CD1 3.94Å; D134-L137 HydrophobicContact CB-CG 4.12Å; D134-L137 WeakPolarHBondContact O-CB 3.39Å; D134-L137 PolarHBondContact O-N 3.41Å; D134-L137 WeakPolarHBondContact OD2-CD1 3.41Å; D134-L137 WeakPolarHBondContact OD2-CG 3.37Å
135	P	70.1	Confident	59.3	Low	92 Å²	92	119.9 Å²	119.9	60%	0.597	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-61.8	-37.6	-163.6	-23.9	33.9	0	0	0	115.3	G133 L137 L138 Q139	G133-P135 WeakPolarHBondContact O-CD 3.31Å; G133-P135 WeakPolarHBondContact O-CG 3.42Å; P135-L137 PolarHBondContact O-N 3.37Å; P135-L137 VanDerWaalsContact O-N 3.11Å; P135-L138 PolarHBondContact O-N 3.4Å; P135-Q139 PolarHBondContact O-N 2.65Å
136	P	73.9	Confident	61	Low	86 Å²	86	116.6 Å²	116.6	56%	0.558	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-56.5	-22.4	173.1	-28.8	37.1	0	0	0	115.3	D134 L138	D134-P136 WeakPolarHBondContact OD1-CD 3.39Å; P136-L138 VanDerWaalsContact C-N 3.3Å
137	L	68	Low	62.8	Low	137 Å²	137	116.1 Å²	116.1	72%	0.717	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-79.3	-12.7	176.1	-59.2	-176.1	0	0	0	113.6	D134 P135	D134-L137 HydrophobicContact CB-CD1 3.94Å; D134-L137 HydrophobicContact CB-CG 4.12Å; D134-L137 WeakPolarHBondContact O-CB 3.39Å; D134-L137 PolarHBondContact O-N 3.41Å; D134-L137 WeakPolarHBondContact OD2-CD1 3.41Å; D134-L137 WeakPolarHBondContact OD2-CG 3.37Å; P135-L137 PolarHBondContact O-N 3.37Å; P135-L137 VanDerWaalsContact O-N 3.11Å
138	L	66.2	Low	65.2	Low	149 Å²	149	115 Å²	115	78%	0.78	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-14.5	176.2	-58.4	178.8	0	0	0	112.4	P135 P136	P135-L138 PolarHBondContact O-N 3.4Å; P136-L138 VanDerWaalsContact C-N 3.3Å
139	Q	67.4	Low	67.3	Low	116 Å²	116	111.1 Å²	111.1	54%	0.542	66%	0.655	S	S	.	*	S	Bend	trans	-79.5	145	179.3	-163	171.8	15.9	0	0	111.6	P135	P135-Q139 PolarHBondContact O-N 2.65Å
140	Q	63.3	Low	69.5	Low	170 Å²	170	110.6 Å²	110.6	79%	0.794	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-67.4	142.9	172.2	-65.2	-173.3	3.3	0	0	110.6	L142	Q140-L142 PolarHBondContact O-N 3.28Å
141	P	69.6	Low	71.1	Confident	131 Å²	131	110.1 Å²	110.1	85%	0.851	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-58.2	120.1	-179.2	-25.7	35	0	0	0	112.6	Q143	P141-Q143 PolarHBondContact O-N 3.46Å
142	L	71.6	Confident	72.7	Confident	105 Å²	105	106 Å²	106	55%	0.55	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-64	118.9	-179.9	-63.7	174.4	0	0	0	110.9	W87 Q140 T144	W87-L142 HydrophobicContact CH2-CD1 4.19Å; W87-L142 HydrophobicContact CZ3-CD1 4.49Å; Q140-L142 PolarHBondContact O-N 3.28Å; L142-T144 PolarHBondContact O-N 3.34Å; L142-T144 VanDerWaalsContact O-N 3.12Å
143	Q	61.5	Low	74	Confident	199 Å²	199	104.1 Å²	104.1	93%	0.93	59%	0.586	S	S	*	*			trans	-73.6	103.8	-179.2	-175.1	168.3	-16.4	0	0	110.6	P141	P141-Q143 PolarHBondContact O-N 3.46Å
144	T	77.5	Confident	75.3	Confident	66 Å²	66	104.2 Å²	104.2	41%	0.405	57%	0.572	S	S	.	*			trans	-99	154.5	178.1	47.6	0	0	0	0	111.3	L142 K146 Q151	L142-T144 PolarHBondContact O-N 3.34Å; L142-T144 VanDerWaalsContact O-N 3.12Å; T144-K146 PolarHBondContact O-N 3.44Å; T144-K146 PolarHBondContact OG1-O 3.31Å; T144-Q151 PolarHBondContact OG1-NE2 2.89Å
145	S	71.9	Confident	76.1	Confident	130 Å²	130	101.1 Å²	101.1	91%	0.909	56%	0.558	S	S	*	*	S	Bend	trans	-69.2	-10.2	-176.6	54.4	0	0	0	0	115
146	K	73.4	Confident	77.1	Confident	90 Å²	90	100 Å²	100	39%	0.391	54%	0.544	S	S	.	.	S	Bend	trans	-129.9	128.8	174.5	-69.9	171.8	178	168.4	0	107.8	T144 Q150 Q151 E154	T144-K146 PolarHBondContact O-N 3.44Å; T144-K146 PolarHBondContact OG1-O 3.31Å; K146-Q150 HydrophobicContact CB-CB 4.33Å; K146-Q151 WeakPolarHBondContact O-CB 3.23Å; K146-E154 HydrophobicContact CD-CB 4.21Å; K146-E154 HydrophobicContact CD-CG 4.16Å; K146-E154 IonicContact NZ-OE2 2.64Å; K146-E154 PolarHBondContact NZ-OE2 3.02Å
147	S	77.6	Confident	77.9	Confident	87 Å²	87	104.3 Å²	104.3	61%	0.608	55%	0.549	S	S	*	.			trans	-115.2	147.7	-171.8	65.1	0	0	0	0	113.9	I149 Q150	S147-I149 PolarHBondContact O-N 2.84Å; S147-Q150 PolarHBondContact O-N 2.91Å
148	G	79.8	Confident	79	Confident	47 Å²	47	101.7 Å²	101.7	49%	0.485	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	-126.9	175.1	0	0	0	0	0	113	Q150 Q151 I152	G148-Q150 PolarHBondContact O-N 2.83Å; G148-Q151 VanDerWaalsContact O-CB 3.3Å; G148-Q151 WeakPolarHBondContact O-CB 3.24Å; G148-Q151 PolarHBondContact O-N 2.86Å; G148-I152 PolarHBondContact O-N 3.22Å
149	I	84.8	Confident	80	Confident	95 Å²	95	95.5 Å²	95.5	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-28.3	-175.8	-166	60.6	0	0	0	113.4	S147 Q151 I152 I153	S147-I149 PolarHBondContact O-N 2.84Å; I149-Q151 VanDerWaalsContact C-N 3.33Å; I149-I152 HydrophobicContact CD1-CB 4.41Å; I149-I152 HydrophobicContact CD1-CD1 4.29Å; I149-I152 PolarHBondContact O-N 3.24Å; I149-I153 HydrophobicContact CG1-CD1 4.13Å; I149-I153 WeakPolarHBondContact O-CD1 3.5Å; I149-I153 VanDerWaalsContact O-CG1 3.27Å; I149-I153 WeakPolarHBondContact O-CG1 3.38Å; I149-I153 PolarHBondContact O-N 2.85Å
150	Q	83.9	Confident	81.2	Confident	116 Å²	116	94.2 Å²	94.2	54%	0.542	51%	0.514	S	S	.	.	H	α-helix	trans	-67.4	-35.2	176.3	-68.8	177.5	-21.5	0	0	112	K146 S147 G148 I153 E154	K146-Q150 HydrophobicContact CB-CB 4.33Å; S147-Q150 PolarHBondContact O-N 2.91Å; G148-Q150 PolarHBondContact O-N 2.83Å; Q150-I153 PolarHBondContact O-N 3.06Å; Q150-E154 WeakPolarHBondContact O-CB 3.32Å; Q150-E154 PolarHBondContact O-N 2.95Å
151	Q	85.4	Confident	82.5	Confident	84 Å²	84	91.7 Å²	91.7	39%	0.393	51%	0.506	S	S	.	.	H	α-helix	trans	-65.2	-44.7	174.9	-162	-178	3.5	0	0	110.6	T144 K146 G148 I149 E154 C155	T144-Q151 PolarHBondContact OG1-NE2 2.89Å; K146-Q151 WeakPolarHBondContact O-CB 3.23Å; G148-Q151 VanDerWaalsContact O-CB 3.3Å; G148-Q151 WeakPolarHBondContact O-CB 3.24Å; G148-Q151 PolarHBondContact O-N 2.86Å; I149-Q151 VanDerWaalsContact C-N 3.33Å; Q151-E154 WeakPolarHBondContact O-CB 3.27Å; Q151-E154 PolarHBondContact O-N 3.45Å; Q151-C155 PolarHBondContact O-N 3.18Å; Q151-C155 PolarHBondContact O-SG 2.98Å
152	I	88.6	Confident	83.6	Confident	52 Å²	52	92.5 Å²	92.5	27%	0.267	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-44.7	177.1	-59.7	173	0	0	0	110.9	G148 I149 E154 C155 F156 T173	G148-I152 PolarHBondContact O-N 3.22Å; I149-I152 HydrophobicContact CD1-CB 4.41Å; I149-I152 HydrophobicContact CD1-CD1 4.29Å; I149-I152 PolarHBondContact O-N 3.24Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 2.9Å; I152-C155 PolarHBondContact O-N 3.04Å; I152-F156 HydrophobicContact CG2-CD2 3.97Å; I152-F156 HydrophobicContact CG2-CE2 3.72Å; I152-F156 VanDerWaalsContact O-CD2 3.23Å; I152-F156 WeakPolarHBondContact O-CD2 3.09Å; I152-F156 PolarHBondContact O-N 2.8Å; I152-F156 VanDerWaalsContact O-N 3.1Å; I152-T173 HydrophobicContact CD1-CG2 4.3Å
153	I	89.3	Confident	84.4	Confident	86 Å²	86	90.4 Å²	90.4	44%	0.441	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-42.2	175.5	-70.8	163.8	0	0	0	110.6	I149 Q150 F156 R157	I149-I153 HydrophobicContact CG1-CD1 4.13Å; I149-I153 WeakPolarHBondContact O-CD1 3.5Å; I149-I153 VanDerWaalsContact O-CG1 3.27Å; I149-I153 WeakPolarHBondContact O-CG1 3.38Å; I149-I153 PolarHBondContact O-N 2.85Å; Q150-I153 PolarHBondContact O-N 3.06Å; I153-F156 PolarHBondContact O-N 3.3Å; I153-R157 HydrophobicContact CG2-CG 4.48Å; I153-R157 WeakPolarHBondContact O-CG 3.36Å; I153-R157 PolarHBondContact O-N 3.4Å
154	E	87.8	Confident	85.8	Confident	54 Å²	54	83.8 Å²	83.8	25%	0.252	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-45.8	176.2	-167	57.6	-122.8	0	0	111.8	K146 Q150 Q151 I152 F156 R157 S158	K146-E154 HydrophobicContact CD-CB 4.21Å; K146-E154 HydrophobicContact CD-CG 4.16Å; K146-E154 IonicContact NZ-OE2 2.64Å; K146-E154 PolarHBondContact NZ-OE2 3.02Å; Q150-E154 WeakPolarHBondContact O-CB 3.32Å; Q150-E154 PolarHBondContact O-N 2.95Å; Q151-E154 WeakPolarHBondContact O-CB 3.27Å; Q151-E154 PolarHBondContact O-N 3.45Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 2.9Å; E154-F156 PolarHBondContact O-N 3.46Å; E154-F156 VanDerWaalsContact O-N 3.17Å; E154-R157 PolarHBondContact O-N 3.17Å; E154-S158 PolarHBondContact O-N 2.81Å; E154-S158 PolarHBondContact O-OG 3.34Å; E154-S158 VanDerWaalsContact O-OG 3.12Å; E154-S158 WeakPolarHBondContact OE1-CB 3.43Å; E154-S158 PolarHBondContact OE1-OG 2.93Å
155	C	87.4	Confident	86.4	Confident	31 Å²	31	83.1 Å²	83.1	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-57.6	-30.7	174.9	-63.7	0	0	0	0	113.2	Q151 I152 G159 L163 L167	Q151-C155 PolarHBondContact O-N 3.18Å; Q151-C155 PolarHBondContact O-SG 2.98Å; I152-C155 PolarHBondContact O-N 3.04Å; C155-G159 VanDerWaalsContact O-CA 3.27Å; C155-G159 WeakPolarHBondContact O-CA 3.37Å; C155-G159 PolarHBondContact O-N 2.8Å; C155-G159 VanDerWaalsContact O-N 3.16Å; C155-L163 HydrophobicContact CB-CD2 3.91Å; C155-L163 HydrophobicContact CB-CG 4.36Å; C155-L167 HydrophobicContact CB-CD1 3.56Å
156	F	89.3	Confident	87.3	Confident	69 Å²	69	80.6 Å²	80.6	30%	0.303	43%	0.425	S	S	.	.	H	α-helix	trans	-77	-34.8	171.7	-78.2	-66.2	0	0	0	113.6	I152 I153 E154 R164 L167 L168	I152-F156 HydrophobicContact CG2-CD2 3.97Å; I152-F156 HydrophobicContact CG2-CE2 3.72Å; I152-F156 VanDerWaalsContact O-CD2 3.23Å; I152-F156 WeakPolarHBondContact O-CD2 3.09Å; I152-F156 PolarHBondContact O-N 2.8Å; I152-F156 VanDerWaalsContact O-N 3.1Å; I153-F156 PolarHBondContact O-N 3.3Å; E154-F156 PolarHBondContact O-N 3.46Å; E154-F156 VanDerWaalsContact O-N 3.17Å; F156-R164 HydrophobicContact CD1-CB 4.29Å; F156-R164 HydrophobicContact CD1-CG 3.92Å; F156-R164 HydrophobicContact CE1-CB 4.15Å; F156-R164 HydrophobicContact CE1-CG 4.27Å; F156-R164 PolarHBondContact O-NE 3.05Å; F156-R164 PolarHBondContact O-NH2 3.14Å; F156-L167 HydrophobicContact CE2-CB 4.26Å; F156-L167 HydrophobicContact CE2-CD1 4.44Å; F156-L167 HydrophobicContact CZ-CB 3.77Å; F156-L168 HydrophobicContact CE1-CD1 3.84Å; F156-L168 HydrophobicContact CE1-CD2 3.93Å; F156-L168 HydrophobicContact CE1-CG 3.65Å; F156-L168 HydrophobicContact CZ-CD1 4.38Å; F156-L168 HydrophobicContact CZ-CD2 3.66Å; F156-L168 HydrophobicContact CZ-CG 3.69Å
157	R	91.6	Very high	88	Confident	176 Å²	176	78.2 Å²	78.2	66%	0.664	42%	0.416	S	S	*	.	H	α-helix	trans	-71.9	-57.7	177.5	-67.5	177.7	83.8	104.4	0.4	111.8	I153 E154 R164	I153-R157 HydrophobicContact CG2-CG 4.48Å; I153-R157 WeakPolarHBondContact O-CG 3.36Å; I153-R157 PolarHBondContact O-N 3.4Å; E154-R157 PolarHBondContact O-N 3.17Å; R157-R164 PolarHBondContact O-NH2 3.19Å
158	S	90.4	Very high	88.5	Confident	83 Å²	83	80.1 Å²	80.1	58%	0.58	42%	0.419	S	S	*	.	H	α-helix	trans	-110	-7.9	-169	54.1	0	0	0	0	115.5	E154	E154-S158 PolarHBondContact O-N 2.81Å; E154-S158 PolarHBondContact O-OG 3.34Å; E154-S158 VanDerWaalsContact O-OG 3.12Å; E154-S158 WeakPolarHBondContact OE1-CB 3.43Å; E154-S158 PolarHBondContact OE1-OG 2.93Å
159	G	88.7	Confident	88.9	Confident	18 Å²	18	87.8 Å²	87.8	19%	0.186	43%	0.433	C	S	.	.	S	Bend	trans	-71.1	176.1	-177.6	0	0	0	0	0	115.6	C155 R164	C155-G159 VanDerWaalsContact O-CA 3.27Å; C155-G159 WeakPolarHBondContact O-CA 3.37Å; C155-G159 PolarHBondContact O-N 2.8Å; C155-G159 VanDerWaalsContact O-N 3.16Å; G159-R164 PolarHBondContact O-NH1 3.45Å; G159-R164 PolarHBondContact O-NH2 3.47Å
160	T	92.8	Very high	89.1	Confident	89 Å²	89	89.5 Å²	89.5	55%	0.546	44%	0.439	S	S	.	.			trans	-80	158.4	174.1	67	0	0	0	0	111.7	Q162 L163 R164	T160-Q162 PolarHBondContact O-N 2.94Å; T160-L163 PolarHBondContact O-N 2.94Å; T160-L163 VanDerWaalsContact O-N 3.16Å; T160-L163 PolarHBondContact OG1-N 2.83Å; T160-R164 WeakPolarHBondContact O-CG 3.43Å; T160-R164 PolarHBondContact O-N 3.02Å
161	N	90.6	Very high	89.3	Confident	118 Å²	118	87.9 Å²	87.9	63%	0.631	44%	0.437	S	S	*	.	H	α-helix	trans	-66.2	-23.7	176.9	-70.7	-23.3	0	0	0	113.3	R164 T165	N161-R164 PolarHBondContact OD1-NH1 2.8Å; N161-T165 WeakPolarHBondContact O-CB 3.34Å; N161-T165 PolarHBondContact O-N 2.75Å; N161-T165 PolarHBondContact O-OG1 3.45Å
162	Q	92.6	Very high	89.4	Confident	148 Å²	148	89.3 Å²	89.3	69%	0.692	45%	0.447	S	S	*	.	H	α-helix	trans	-66	-51.1	169.4	-172.5	178.5	12.1	0	0	110.5	T160 R164 T165 M166	T160-Q162 PolarHBondContact O-N 2.94Å; Q162-R164 VanDerWaalsContact C-N 3.35Å; Q162-R164 PolarHBondContact O-N 3.16Å; Q162-T165 WeakPolarHBondContact O-CA 3.49Å; Q162-T165 WeakPolarHBondContact O-CB 3.17Å; Q162-T165 PolarHBondContact O-N 2.85Å; Q162-M166 HydrophobicContact CG-SD 4.37Å; Q162-M166 WeakPolarHBondContact O-CG 3.16Å; Q162-M166 PolarHBondContact O-N 3.05Å
163	L	88.4	Confident	89.4	Confident	61 Å²	61	90 Å²	90	32%	0.319	45%	0.454	S	S	.	.	H	α-helix	trans	-60.4	-41.8	177.6	-177.8	61.6	0	0	0	112.2	C155 T160 T165 M166 L167	C155-L163 HydrophobicContact CB-CD2 3.91Å; C155-L163 HydrophobicContact CB-CG 4.36Å; T160-L163 PolarHBondContact O-N 2.94Å; T160-L163 VanDerWaalsContact O-N 3.16Å; T160-L163 PolarHBondContact OG1-N 2.83Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 2.95Å; L163-M166 PolarHBondContact O-N 3.26Å; L163-L167 HydrophobicContact CD1-CD1 4.23Å; L163-L167 HydrophobicContact CD1-CG 4.35Å; L163-L167 HydrophobicContact CG-CD1 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.37Å; L163-L167 WeakPolarHBondContact O-CG 3.29Å; L163-L167 PolarHBondContact O-N 3.23Å
164	R	90	Very high	89.5	Confident	59 Å²	59	89.9 Å²	89.9	22%	0.223	45%	0.454	C	S	.	.	H	α-helix	trans	-59.5	-40.4	172.4	-67.9	-174.9	-176.9	87.7	14.5	111.9	F156 R157 G159 T160 N161 Q162 L168	F156-R164 HydrophobicContact CD1-CB 4.29Å; F156-R164 HydrophobicContact CD1-CG 3.92Å; F156-R164 HydrophobicContact CE1-CB 4.15Å; F156-R164 HydrophobicContact CE1-CG 4.27Å; F156-R164 PolarHBondContact O-NE 3.05Å; F156-R164 PolarHBondContact O-NH2 3.14Å; R157-R164 PolarHBondContact O-NH2 3.19Å; G159-R164 PolarHBondContact O-NH1 3.45Å; G159-R164 PolarHBondContact O-NH2 3.47Å; T160-R164 WeakPolarHBondContact O-CG 3.43Å; T160-R164 PolarHBondContact O-N 3.02Å; N161-R164 PolarHBondContact OD1-NH1 2.8Å; Q162-R164 VanDerWaalsContact C-N 3.35Å; Q162-R164 PolarHBondContact O-N 3.16Å; R164-L168 WeakPolarHBondContact O-CB 3.38Å; R164-L168 VanDerWaalsContact O-CG 3.28Å; R164-L168 WeakPolarHBondContact O-CG 3.31Å; R164-L168 PolarHBondContact O-N 3.19Å
165	T	89.6	Confident	89.6	Confident	53 Å²	53	89.8 Å²	89.8	33%	0.325	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-48.2	178.5	-60.5	0	0	0	0	111.5	N161 Q162 L163 L167 L168 R169	N161-T165 WeakPolarHBondContact O-CB 3.34Å; N161-T165 PolarHBondContact O-N 2.75Å; N161-T165 PolarHBondContact O-OG1 3.45Å; Q162-T165 WeakPolarHBondContact O-CA 3.49Å; Q162-T165 WeakPolarHBondContact O-CB 3.17Å; Q162-T165 PolarHBondContact O-N 2.85Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 2.95Å; T165-L167 PolarHBondContact O-N 3.05Å; T165-L168 PolarHBondContact O-N 3.43Å; T165-L168 VanDerWaalsContact O-N 3.14Å; T165-R169 HydrophobicContact CG2-CG 4.28Å; T165-R169 WeakPolarHBondContact O-CB 3.37Å; T165-R169 PolarHBondContact O-N 2.66Å
166	M	90.9	Very high	89.8	Confident	76 Å²	76	92.3 Å²	92.3	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-56.3	-49.9	176.3	-64.4	168.5	70.2	0	0	111.1	Q162 L163 L168 R169 E170 V171	Q162-M166 HydrophobicContact CG-SD 4.37Å; Q162-M166 WeakPolarHBondContact O-CG 3.16Å; Q162-M166 PolarHBondContact O-N 3.05Å; L163-M166 PolarHBondContact O-N 3.26Å; M166-L168 PolarHBondContact O-N 2.98Å; M166-R169 PolarHBondContact O-N 2.69Å; M166-E170 WeakPolarHBondContact CG-OE2 3.35Å; M166-E170 WeakPolarHBondContact O-CB 3.34Å; M166-E170 PolarHBondContact O-N 3.09Å; M166-V171 PolarHBondContact O-N 3.1Å; M166-V171 VanDerWaalsContact O-N 3.14Å
167	L	89.4	Confident	89.9	Confident	41 Å²	41	89.3 Å²	89.3	22%	0.215	45%	0.449	C	S	.	.	H	α-helix	trans	-66.1	-15.1	179.9	-69.8	174.5	0	0	0	114.8	C155 F156 L163 T165	C155-L167 HydrophobicContact CB-CD1 3.56Å; F156-L167 HydrophobicContact CE2-CB 4.26Å; F156-L167 HydrophobicContact CE2-CD1 4.44Å; F156-L167 HydrophobicContact CZ-CB 3.77Å; L163-L167 HydrophobicContact CD1-CD1 4.23Å; L163-L167 HydrophobicContact CD1-CG 4.35Å; L163-L167 HydrophobicContact CG-CD1 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.37Å; L163-L167 WeakPolarHBondContact O-CG 3.29Å; L163-L167 PolarHBondContact O-N 3.23Å; T165-L167 PolarHBondContact O-N 3.05Å
168	L	86.9	Confident	89.6	Confident	126 Å²	126	90.3 Å²	90.3	66%	0.66	46%	0.458	S	S	*	.	H	α-helix	trans	-106.4	-23.4	178.1	-71.2	175	0	0	0	114.4	F156 R164 T165 M166	F156-L168 HydrophobicContact CE1-CD1 3.84Å; F156-L168 HydrophobicContact CE1-CD2 3.93Å; F156-L168 HydrophobicContact CE1-CG 3.65Å; F156-L168 HydrophobicContact CZ-CD1 4.38Å; F156-L168 HydrophobicContact CZ-CD2 3.66Å; F156-L168 HydrophobicContact CZ-CG 3.69Å; R164-L168 WeakPolarHBondContact O-CB 3.38Å; R164-L168 VanDerWaalsContact O-CG 3.28Å; R164-L168 WeakPolarHBondContact O-CG 3.31Å; R164-L168 PolarHBondContact O-N 3.19Å; T165-L168 PolarHBondContact O-N 3.43Å; T165-L168 VanDerWaalsContact O-N 3.14Å; M166-L168 PolarHBondContact O-N 2.98Å
169	R	87.6	Confident	89.6	Confident	208 Å²	208	90.7 Å²	90.7	79%	0.785	45%	0.453	S	S	*	.	H	α-helix	trans	-118.7	-26.8	-172.2	-57.9	-168.5	-170	-171.1	3	114.4	T165 M166	T165-R169 HydrophobicContact CG2-CG 4.28Å; T165-R169 WeakPolarHBondContact O-CB 3.37Å; T165-R169 PolarHBondContact O-N 2.66Å; M166-R169 PolarHBondContact O-N 2.69Å
170	E	91.1	Very high	89.5	Confident	132 Å²	132	92.2 Å²	92.2	62%	0.617	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-23.3	-170	-65.1	157.4	-137.5	0	0	112.5	M166	M166-E170 WeakPolarHBondContact CG-OE2 3.35Å; M166-E170 WeakPolarHBondContact O-CB 3.34Å; M166-E170 PolarHBondContact O-N 3.09Å
171	V	87.6	Confident	89.4	Confident	81 Å²	81	96.9 Å²	96.9	49%	0.491	47%	0.468	S	S	.	.			trans	-112.8	126.6	-175.3	-175.6	0	0	0	0	112.5	M166	M166-V171 PolarHBondContact O-N 3.1Å; M166-V171 VanDerWaalsContact O-N 3.14Å
172	D	87.4	Confident	89.3	Confident	114 Å²	114	93.7 Å²	93.7	61%	0.61	45%	0.454	S	S	*	.			trans	-90.4	124.1	175.7	-133.2	8	0	0	0	109.5	R185	D172-R185 IonicContact OD2-NH1 2.64Å; D172-R185 PolarHBondContact OD2-NH1 3.06Å
173	T	87.7	Confident	89.4	Confident	68 Å²	68	92.3 Å²	92.3	42%	0.417	45%	0.451	S	S	.	.			trans	-81.5	133.8	177.7	51.3	0	0	0	0	112.5	I152	I152-T173 HydrophobicContact CD1-CG2 4.3Å
174	I	90.9	Very high	89.6	Confident	83 Å²	83	91 Å²	91	43%	0.426	44%	0.443	S	S	.	.			trans	-124.6	124.6	177.7	-51.9	-173.6	0	0	0	109.1	L183 R185	I174-L183 HydrophobicContact CG2-CB 3.87Å; I174-L183 HydrophobicContact CG2-CD2 4.29Å; I174-R185 HydrophobicContact CD1-CG 4.32Å; I174-R185 HydrophobicContact CG1-CG 4.21Å
175	F	90.4	Very high	89.6	Confident	51 Å²	51	96.7 Å²	96.7	22%	0.224	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.3	-178.8	-53.6	-95.1	0	0	0	110.7	F184 L187 L190	F175-F184 WeakPolarHBondContact CD2-O 3.29Å; F175-F184 PolarHBondContact N-O 2.99Å; F175-F184 PolarHBondContact O-N 3.39Å; F175-L187 HydrophobicContact CE1-CD1 4.46Å; F175-L187 HydrophobicContact CE2-CB 4.12Å; F175-L187 HydrophobicContact CZ-CB 4.08Å; F175-L190 HydrophobicContact CB-CD2 3.71Å; F175-L190 HydrophobicContact CG-CD2 4.32Å
176	E	91.8	Very high	89.6	Confident	85 Å²	85	95.1 Å²	95.1	40%	0.397	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.9	167.7	-172.2	-178.6	164.5	0	0	110.2	K178 R181 L183	E176-K178 PolarHBondContact O-N 3.01Å; E176-R181 WeakPolarHBondContact OE1-CB 3.42Å; E176-R181 IonicContact OE1-CZ 3.67Å; E176-R181 IonicContact OE1-NE 3.23Å; E176-R181 PolarHBondContact OE1-NE 2.78Å; E176-R181 IonicContact OE1-NH2 2.7Å; E176-R181 PolarHBondContact OE1-NH2 3.39Å; E176-L183 HydrophobicContact CB-CD2 3.78Å; E176-L183 HydrophobicContact CG-CD2 4.05Å
177	C	91	Very high	89.5	Confident	6 Å²	6	95.7 Å²	95.7	4%	0.041	46%	0.462	C	S	.	.			trans	-77	106.6	165.5	-176.1	0	0	0	0	109.4	L179 C180 R181 S182 F184 L190	C177-L179 PolarHBondContact O-N 3.49Å; C177-C180 PolarHBondContact O-N 3.09Å; C177-R181 VanDerWaalsContact O-CA 3.28Å; C177-R181 WeakPolarHBondContact O-CA 3.22Å; C177-R181 PolarHBondContact O-N 3.26Å; C177-S182 PolarHBondContact N-O 2.87Å; C177-F184 HydrophobicContact CB-CD2 4.42Å; C177-F184 HydrophobicContact CB-CE2 3.83Å; C177-L190 HydrophobicContact CB-CD1 3.57Å
178	K	86.8	Confident	89.6	Confident	197 Å²	197	98 Å²	98	86%	0.857	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-22.8	-177.6	-65.8	-170.2	176.1	-172.4	0	115.2	E176	E176-K178 PolarHBondContact O-N 3.01Å
179	L	88.5	Confident	89.7	Confident	90 Å²	90	96.3 Å²	96.3	47%	0.471	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-43.6	-176.1	-57	174.2	0	0	0	113.3	C177 S200	C177-L179 PolarHBondContact O-N 3.49Å; L179-S200 WeakPolarHBondContact CD1-OG 3.33Å; L179-S200 WeakPolarHBondContact CD2-OG 3.46Å
180	C	88.1	Confident	89.9	Confident	50 Å²	50	87.9 Å²	87.9	34%	0.338	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	0.9	-173.6	68.6	0	0	0	0	113.4	C177 S182 H193	C177-C180 PolarHBondContact O-N 3.09Å; C180-S182 PolarHBondContact O-N 3.39Å; C180-S182 VanDerWaalsContact SG-CB 3.53Å; C180-S182 PolarHBondContact SG-OG 3.47Å; C180-H193 PolarHBondContact SG-NE2 2.9Å
181	R	90.7	Very high	89.8	Confident	188 Å²	188	85 Å²	85	71%	0.709	43%	0.43	S	S	*	.			trans	55.6	21.3	-179.2	-42.9	-159.1	76.7	152.9	2.2	114.6	E176 C177	E176-R181 WeakPolarHBondContact OE1-CB 3.42Å; E176-R181 IonicContact OE1-CZ 3.67Å; E176-R181 IonicContact OE1-NE 3.23Å; E176-R181 PolarHBondContact OE1-NE 2.78Å; E176-R181 IonicContact OE1-NH2 2.7Å; E176-R181 PolarHBondContact OE1-NH2 3.39Å; C177-R181 VanDerWaalsContact O-CA 3.28Å; C177-R181 WeakPolarHBondContact O-CA 3.22Å; C177-R181 PolarHBondContact O-N 3.26Å
182	S	87.6	Confident	90	Very high	50 Å²	50	84 Å²	84	35%	0.35	42%	0.424	S	S	.	.			trans	-78	139.5	176.1	-66.5	0	0	0	0	110.9	C177 C180 F184	C177-S182 PolarHBondContact N-O 2.87Å; C180-S182 PolarHBondContact O-N 3.39Å; C180-S182 VanDerWaalsContact SG-CB 3.53Å; C180-S182 PolarHBondContact SG-OG 3.47Å; S182-F184 VanDerWaalsContact O-CD2 3.3Å; S182-F184 WeakPolarHBondContact O-CD2 3.3Å; S182-F184 WeakPolarHBondContact O-CE2 2.94Å
183	L	94.1	Very high	90.3	Very high	120 Å²	120	80.1 Å²	80.1	63%	0.628	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.1	-175.8	-62.5	177.6	0	0	0	111.8	I174 E176	I174-L183 HydrophobicContact CG2-CB 3.87Å; I174-L183 HydrophobicContact CG2-CD2 4.29Å; E176-L183 HydrophobicContact CB-CD2 3.78Å; E176-L183 HydrophobicContact CG-CD2 4.05Å
184	F	92.5	Very high	90.2	Very high	33 Å²	33	83 Å²	83	15%	0.145	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.2	-175.4	-60.8	-84.6	0	0	0	111.3	F175 C177 S182 G186 N189 L190 H193	F175-F184 WeakPolarHBondContact CD2-O 3.29Å; F175-F184 PolarHBondContact N-O 2.99Å; F175-F184 PolarHBondContact O-N 3.39Å; C177-F184 HydrophobicContact CB-CD2 4.42Å; C177-F184 HydrophobicContact CB-CE2 3.83Å; S182-F184 VanDerWaalsContact O-CD2 3.3Å; S182-F184 WeakPolarHBondContact O-CD2 3.3Å; S182-F184 WeakPolarHBondContact O-CE2 2.94Å; F184-G186 PolarHBondContact O-N 3.46Å; F184-N189 HydrophobicContact CB-CB 4.4Å; F184-N189 HydrophobicContact CD1-CB 3.89Å; F184-L190 HydrophobicContact CB-CB 4.09Å; F184-L190 HydrophobicContact CD2-CB 4.13Å; F184-L190 HydrophobicContact CD2-CD1 3.81Å; F184-L190 HydrophobicContact CE2-CD1 4.04Å; F184-L190 HydrophobicContact CG-CB 4.09Å; F184-H193 HydrophobicContact CE1-CB 3.74Å; F184-H193 AromaticContact CE1-CG 3.83Å; F184-H193 HydrophobicContact CE2-CB 4.38Å; F184-H193 AromaticContact CE2-CD2 3.61Å; F184-H193 HydrophobicContact CZ-CB 3.65Å; F184-H193 AromaticContact CZ-CD2 3.28Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.44Å; F184-H193 AromaticContact CZ-CE1 3.91Å; F184-H193 AromaticContact CZ-CG 3.27Å; F184-H193 AromaticContact CZ-ND1 3.69Å; F184-H193 AromaticContact CZ-NE2 3.68Å
185	R	90.7	Very high	90	Very high	179 Å²	179	83.7 Å²	83.7	68%	0.675	41%	0.411	S	S	*	.	S	Bend	trans	-80.3	48.4	174.3	-65.7	-176.3	170.1	-123.8	-0	112.5	D172 I174	D172-R185 IonicContact OD2-NH1 2.64Å; D172-R185 PolarHBondContact OD2-NH1 3.06Å; I174-R185 HydrophobicContact CD1-CG 4.32Å; I174-R185 HydrophobicContact CG1-CG 4.21Å
186	G	89	Confident	89.7	Confident	19 Å²	19	88.8 Å²	88.8	20%	0.196	43%	0.429	C	S	.	.	S	Bend	trans	155.3	130.3	-180	0	0	0	0	0	113.2	F184 N189 L190	F184-G186 PolarHBondContact O-N 3.46Å; G186-N189 WeakPolarHBondContact O-CB 3.34Å; G186-N189 PolarHBondContact O-N 3.03Å; G186-L190 PolarHBondContact O-N 2.94Å
187	L	89.8	Confident	89.3	Confident	88 Å²	88	93.7 Å²	93.7	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-53.8	-41.9	-175.5	-178.4	61.1	0	0	0	114.3	F175 N189 L190 I191	F175-L187 HydrophobicContact CE1-CD1 4.46Å; F175-L187 HydrophobicContact CE2-CB 4.12Å; F175-L187 HydrophobicContact CZ-CB 4.08Å; L187-N189 PolarHBondContact O-N 2.85Å; L187-L190 PolarHBondContact O-N 2.77Å; L187-L190 VanDerWaalsContact O-N 3.12Å; L187-I191 HydrophobicContact CD1-CD1 4.05Å; L187-I191 HydrophobicContact CD1-CG1 4.12Å; L187-I191 HydrophobicContact CD2-CD1 4.4Å; L187-I191 HydrophobicContact CG-CD1 3.76Å; L187-I191 HydrophobicContact CG-CG1 4.29Å; L187-I191 WeakPolarHBondContact O-CG1 3.14Å; L187-I191 PolarHBondContact O-N 3.36Å
188	P	90.6	Very high	89	Confident	89 Å²	89	94.3 Å²	94.3	58%	0.578	45%	0.449	S	S	*	.	H	α-helix	trans	-61.2	-28.8	176.9	-25.3	36.2	0	0	0	114.2	T192	P188-T192 WeakPolarHBondContact O-CB 3.28Å; P188-T192 WeakPolarHBondContact O-CG2 3.43Å; P188-T192 PolarHBondContact O-N 3.08Å; P188-T192 PolarHBondContact O-OG1 3.19Å
189	N	89.8	Confident	88.6	Confident	92 Å²	92	91.1 Å²	91.1	49%	0.492	44%	0.441	S	S	.	.	H	α-helix	trans	-75.6	-35.9	176.8	-60.3	-49.8	0	0	0	111.5	F184 G186 L187 T192 H193	F184-N189 HydrophobicContact CB-CB 4.4Å; F184-N189 HydrophobicContact CD1-CB 3.89Å; G186-N189 WeakPolarHBondContact O-CB 3.34Å; G186-N189 PolarHBondContact O-N 3.03Å; L187-N189 PolarHBondContact O-N 2.85Å; N189-T192 PolarHBondContact O-OG1 2.82Å; N189-H193 WeakPolarHBondContact O-CB 3.44Å; N189-H193 PolarHBondContact O-N 2.8Å
190	L	92	Very high	87.6	Confident	30 Å²	30	90.1 Å²	90.1	16%	0.157	44%	0.442	C	S	.	.	H	α-helix	trans	-68.1	-42.9	171.4	174	61.1	0	0	0	111.4	F175 C177 F184 G186 L187 H193 K194	F175-L190 HydrophobicContact CB-CD2 3.71Å; F175-L190 HydrophobicContact CG-CD2 4.32Å; C177-L190 HydrophobicContact CB-CD1 3.57Å; F184-L190 HydrophobicContact CB-CB 4.09Å; F184-L190 HydrophobicContact CD2-CB 4.13Å; F184-L190 HydrophobicContact CD2-CD1 3.81Å; F184-L190 HydrophobicContact CE2-CD1 4.04Å; F184-L190 HydrophobicContact CG-CB 4.09Å; G186-L190 PolarHBondContact O-N 2.94Å; L187-L190 PolarHBondContact O-N 2.77Å; L187-L190 VanDerWaalsContact O-N 3.12Å; L190-H193 WeakPolarHBondContact O-CB 3.11Å; L190-H193 PolarHBondContact O-N 2.92Å; L190-K194 WeakPolarHBondContact O-CB 3.32Å; L190-K194 PolarHBondContact O-N 3.26Å
191	I	89.9	Confident	85.7	Confident	73 Å²	73	99.2 Å²	99.2	37%	0.374	47%	0.469	S	S	.	.	H	α-helix	trans	-59.3	-58.9	177.8	-70.4	170.8	0	0	0	110	L187 H193 K194 E195	L187-I191 HydrophobicContact CD1-CD1 4.05Å; L187-I191 HydrophobicContact CD1-CG1 4.12Å; L187-I191 HydrophobicContact CD2-CD1 4.4Å; L187-I191 HydrophobicContact CG-CD1 3.76Å; L187-I191 HydrophobicContact CG-CG1 4.29Å; L187-I191 WeakPolarHBondContact O-CG1 3.14Å; L187-I191 PolarHBondContact O-N 3.36Å; I191-H193 PolarHBondContact O-N 3.48Å; I191-H193 VanDerWaalsContact O-N 3.16Å; I191-K194 CarbonylContact O-C 3.45Å; I191-K194 PolarHBondContact O-N 3.35Å; I191-E195 VanDerWaalsContact CG2-CD 3.43Å; I191-E195 HydrophobicContact CG2-CG 4.11Å; I191-E195 WeakPolarHBondContact CG2-OE1 3.06Å; I191-E195 WeakPolarHBondContact O-CB 3.1Å; I191-E195 WeakPolarHBondContact O-CG 3.27Å; I191-E195 PolarHBondContact O-N 3.05Å
192	T	91.5	Very high	83.4	Confident	59 Å²	59	97 Å²	97	36%	0.362	47%	0.471	S	S	.	.	H	α-helix	trans	-62.5	-26.5	179.4	52.5	0	0	0	0	113.2	P188 N189 Y196	P188-T192 WeakPolarHBondContact O-CB 3.28Å; P188-T192 WeakPolarHBondContact O-CG2 3.43Å; P188-T192 PolarHBondContact O-N 3.08Å; P188-T192 PolarHBondContact O-OG1 3.19Å; N189-T192 PolarHBondContact O-OG1 2.82Å; T192-Y196 HydrophobicContact CG2-CE2 4.39Å; T192-Y196 WeakPolarHBondContact O-CB 3.37Å; T192-Y196 WeakPolarHBondContact O-CD2 3.28Å; T192-Y196 PolarHBondContact O-N 2.98Å
193	H	92	Very high	81.2	Confident	33 Å²	33	100.1 Å²	100.1	15%	0.153	49%	0.489	C	S	.	.	H	α-helix	trans	-66.5	-49.6	169.2	179.2	71.6	0	0	0	112	C180 F184 N189 L190 I191 Y197 C198	C180-H193 PolarHBondContact SG-NE2 2.9Å; F184-H193 HydrophobicContact CE1-CB 3.74Å; F184-H193 AromaticContact CE1-CG 3.83Å; F184-H193 HydrophobicContact CE2-CB 4.38Å; F184-H193 AromaticContact CE2-CD2 3.61Å; F184-H193 HydrophobicContact CZ-CB 3.65Å; F184-H193 AromaticContact CZ-CD2 3.28Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.44Å; F184-H193 AromaticContact CZ-CE1 3.91Å; F184-H193 AromaticContact CZ-CG 3.27Å; F184-H193 AromaticContact CZ-ND1 3.69Å; F184-H193 AromaticContact CZ-NE2 3.68Å; N189-H193 WeakPolarHBondContact O-CB 3.44Å; N189-H193 PolarHBondContact O-N 2.8Å; L190-H193 WeakPolarHBondContact O-CB 3.11Å; L190-H193 PolarHBondContact O-N 2.92Å; I191-H193 PolarHBondContact O-N 3.48Å; I191-H193 VanDerWaalsContact O-N 3.16Å; H193-Y197 CarbonylContact O-C 3.57Å; H193-Y197 WeakPolarHBondContact O-CA 3.3Å; H193-Y197 WeakPolarHBondContact O-CB 3.33Å; H193-Y197 PolarHBondContact O-N 3.26Å; H193-C198 VanDerWaalsContact NE2-CB 3.3Å; H193-C198 WeakPolarHBondContact NE2-CB 3.26Å; H193-C198 PolarHBondContact O-N 3.14Å
194	K	87.4	Confident	78.6	Confident	127 Å²	127	102.8 Å²	102.8	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-68.1	-31.9	179.3	-169.2	173.6	-177.9	-70.8	0	113	L190 I191	L190-K194 WeakPolarHBondContact O-CB 3.32Å; L190-K194 PolarHBondContact O-N 3.26Å; I191-K194 CarbonylContact O-C 3.45Å; I191-K194 PolarHBondContact O-N 3.35Å
195	E	86.6	Confident	75.8	Confident	99 Å²	99	106.8 Å²	106.8	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-73.7	-36.5	177.8	-71.9	173.4	155.1	0	0	113.9	I191 L199	I191-E195 VanDerWaalsContact CG2-CD 3.43Å; I191-E195 HydrophobicContact CG2-CG 4.11Å; I191-E195 WeakPolarHBondContact CG2-OE1 3.06Å; I191-E195 WeakPolarHBondContact O-CB 3.1Å; I191-E195 WeakPolarHBondContact O-CG 3.27Å; I191-E195 PolarHBondContact O-N 3.05Å; E195-L199 WeakPolarHBondContact O-CD2 3.49Å
196	Y	83.6	Confident	73.6	Confident	157 Å²	157	105.8 Å²	105.8	62%	0.616	54%	0.538	S	S	*	.	H	α-helix	trans	-123.9	-15	-167.3	-59.7	-59.8	0	0	0	115.6	T192	T192-Y196 HydrophobicContact CG2-CE2 4.39Å; T192-Y196 WeakPolarHBondContact O-CB 3.37Å; T192-Y196 WeakPolarHBondContact O-CD2 3.28Å; T192-Y196 PolarHBondContact O-N 2.98Å
197	Y	83	Confident	71.2	Confident	189 Å²	189	108.4 Å²	108.4	74%	0.741	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	-29.4	-169.2	-61.3	-78.1	0	0	0	114.6	H193	H193-Y197 CarbonylContact O-C 3.57Å; H193-Y197 WeakPolarHBondContact O-CA 3.3Å; H193-Y197 WeakPolarHBondContact O-CB 3.33Å; H193-Y197 PolarHBondContact O-N 3.26Å
198	C	85.4	Confident	68.7	Low	18 Å²	18	109.9 Å²	109.9	12%	0.122	58%	0.583	C	S	.	*			trans	-120.6	59.4	179.2	-162.1	0	0	0	0	110.5	H193 S200	H193-C198 VanDerWaalsContact NE2-CB 3.3Å; H193-C198 WeakPolarHBondContact NE2-CB 3.26Å; H193-C198 PolarHBondContact O-N 3.14Å; C198-S200 PolarHBondContact O-N 2.73Å; C198-S200 VanDerWaalsContact O-N 3.17Å
199	L	77.4	Confident	66.8	Low	131 Å²	131	111.8 Å²	111.8	69%	0.686	60%	0.599	S	S	*	*			trans	-77.1	91	174.1	-68.2	172.9	0	0	0	109.6	E195 R201	E195-L199 WeakPolarHBondContact O-CD2 3.49Å; L199-R201 PolarHBondContact O-N 2.79Å; L199-R201 VanDerWaalsContact O-N 3.11Å
200	S	68.9	Low	64.9	Low	68 Å²	68	110.6 Å²	110.6	48%	0.476	61%	0.608	S	S	.	*			trans	-67	106.3	158.2	-84.7	0	0	0	0	109.1	L179 C198 L202	L179-S200 WeakPolarHBondContact CD1-OG 3.33Å; L179-S200 WeakPolarHBondContact CD2-OG 3.46Å; C198-S200 PolarHBondContact O-N 2.73Å; C198-S200 VanDerWaalsContact O-N 3.17Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 2.7Å
201	R	47.8	Very low	62.7	Low	242 Å²	242	113.6 Å²	113.6	91%	0.913	62%	0.624	S	S	*	*			trans	-64.5	101.6	135.6	-79	-172.7	170.8	-148.7	-2.7	106.4	L199	L199-R201 PolarHBondContact O-N 2.79Å; L199-R201 VanDerWaalsContact O-N 3.11Å
202	L	41.5	Very low	61	Low	142 Å²	142	116.2 Å²	116.2	74%	0.743	64%	0.639	S	S	*	*			trans	-66.3	137.9	143.3	-76.1	164.6	0	0	0	106	S200 E204	S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 2.7Å; L202-E204 PolarHBondContact O-N 2.91Å
203	P	42.2	Very low	59.3	Low	114 Å²	114	124.1 Å²	124.1	74%	0.74	66%	0.662	S	S	*	*			trans	-58.9	126.3	152.5	-14.4	29.8	0	0	0	107.1	S205	P203-S205 PolarHBondContact O-N 2.92Å
204	E	38.9	Very low	57.6	Low	177 Å²	177	128.1 Å²	128.1	83%	0.827	68%	0.681	S	S	*	*			trans	-67.7	115.2	158.3	-74.7	160	147.4	0	0	105.2	L202 D206	L202-E204 PolarHBondContact O-N 2.91Å; E204-D206 VanDerWaalsContact C-N 3.3Å; E204-D206 PolarHBondContact O-N 3.23Å; E204-D206 VanDerWaalsContact O-N 3.12Å
205	S	34.2	Very low	56.1	Low	116 Å²	116	125.4 Å²	125.4	81%	0.811	68%	0.678	S	S	*	*			trans	-85.6	78.1	-178.3	-174.9	0	0	0	0	108.5	P203 G207	P203-S205 PolarHBondContact O-N 2.92Å; S205-G207 PolarHBondContact O-N 2.84Å; S205-G207 VanDerWaalsContact O-N 3.09Å
206	D	43.2	Very low	55.1	Low	158 Å²	158	125.2 Å²	125.2	85%	0.845	68%	0.684	S	S	*	*			trans	-53.8	114.1	170.4	-66.5	-42.7	0	0	0	109	E204	E204-D206 VanDerWaalsContact C-N 3.3Å; E204-D206 PolarHBondContact O-N 3.23Å; E204-D206 VanDerWaalsContact O-N 3.12Å
207	G	40.1	Very low	54.4	Low	74 Å²	74	120.3 Å²	120.3	76%	0.763	68%	0.675	S	S	*	*			trans	147.6	39.4	179.1	0	0	0	0	0	119.4	S205	S205-G207 PolarHBondContact O-N 2.84Å; S205-G207 VanDerWaalsContact O-N 3.09Å
208	S	36.4	Very low	53.3	Low	120 Å²	120	116.5 Å²	116.5	84%	0.839	67%	0.665	S	S	*	*			trans	-158.9	117.5	144.6	-157.9	0	0	0	0	111.8	G210	S208-G210 PolarHBondContact O-N 3.05Å
209	S	50.6	Low	52.5	Low	128 Å²	128	122.4 Å²	122.4	90%	0.895	69%	0.689	S	S	*	*			trans	-82.9	101.5	174.1	178.4	0	0	0	0	108.9
210	G	49.4	Very low	52	Low	67 Å²	67	121.6 Å²	121.6	69%	0.691	69%	0.686	S	S	*	*			trans	-174.4	0.1	-173.5	0	0	0	0	0	120.8	S208	S208-G210 PolarHBondContact O-N 3.05Å
211	D	46.8	Very low	52.2	Low	94 Å²	94	123.5 Å²	123.5	50%	0.503	69%	0.69	S	S	.	*			trans	-145.8	33.5	-179.3	-154	19.8	0	0	0	118.4	R213 Q214 S215	D211-R213 PolarHBondContact O-N 3.44Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.41Å; D211-Q214 PolarHBondContact OD1-N 3.37Å; D211-Q214 WeakPolarHBondContact OD2-CB 3.28Å; D211-S215 PolarHBondContact O-OG 3.3Å
212	D	53.5	Low	53.3	Low	127 Å²	127	117 Å²	117	68%	0.679	67%	0.673	S	S	*	*	H	α-helix	trans	-66.6	-20.6	164.9	-73.8	-63.1	0	0	0	112.3	S215 V216	D212-S215 WeakPolarHBondContact O-CB 3.47Å; D212-S215 PolarHBondContact O-N 3Å; D212-V216 WeakPolarHBondContact O-CG2 3.05Å; D212-V216 PolarHBondContact O-N 3.48Å
213	R	55.4	Low	54.5	Low	226 Å²	226	114.4 Å²	114.4	85%	0.853	66%	0.659	S	S	*	*	H	α-helix	trans	-66.5	-45.2	179	-81.7	-171.6	167.7	-165.4	-4.3	112.8	D211 S215 V216 A217	D211-R213 PolarHBondContact O-N 3.44Å; R213-S215 PolarHBondContact O-N 3.16Å; R213-V216 PolarHBondContact O-N 3.49Å; R213-A217 WeakPolarHBondContact O-CB 3.24Å; R213-A217 PolarHBondContact O-N 2.85Å
214	Q	56.3	Low	55.8	Low	117 Å²	117	112.3 Å²	112.3	55%	0.547	65%	0.652	S	S	.	*	H	α-helix	trans	-63.2	-36	175.2	-159.5	95	-41.6	0	0	111.1	D211 M218	D211-Q214 WeakPolarHBondContact OD1-CB 3.41Å; D211-Q214 PolarHBondContact OD1-N 3.37Å; D211-Q214 WeakPolarHBondContact OD2-CB 3.28Å; Q214-M218 HydrophobicContact CG-CE 4.03Å; Q214-M218 WeakPolarHBondContact O-CB 3.13Å; Q214-M218 WeakPolarHBondContact O-CE 3.39Å; Q214-M218 WeakPolarHBondContact O-CG 3.3Å; Q214-M218 PolarHBondContact O-N 3.14Å
215	S	55.8	Low	57.3	Low	69 Å²	69	108.8 Å²	108.8	48%	0.483	64%	0.638	S	S	.	*	H	α-helix	trans	-67	-45.2	178.8	-59.1	0	0	0	0	112.8	D211 D212 R213 K219	D211-S215 PolarHBondContact O-OG 3.3Å; D212-S215 WeakPolarHBondContact O-CB 3.47Å; D212-S215 PolarHBondContact O-N 3Å; R213-S215 PolarHBondContact O-N 3.16Å; S215-K219 PolarHBondContact O-N 3.01Å
216	V	67.5	Low	57.9	Low	96 Å²	96	110.4 Å²	110.4	58%	0.582	63%	0.627	S	S	*	*	H	α-helix	trans	-69	-45.1	174.6	173	0	0	0	0	110.8	D212 R213 M218 K219 D220	D212-V216 WeakPolarHBondContact O-CG2 3.05Å; D212-V216 PolarHBondContact O-N 3.48Å; R213-V216 PolarHBondContact O-N 3.49Å; V216-M218 VanDerWaalsContact C-N 3.34Å; V216-M218 PolarHBondContact O-N 3.37Å; V216-K219 WeakPolarHBondContact O-CA 3.41Å; V216-K219 WeakPolarHBondContact O-CB 3.48Å; V216-K219 PolarHBondContact O-N 3.13Å; V216-D220 WeakPolarHBondContact O-CB 3.4Å; V216-D220 PolarHBondContact O-N 3.3Å
217	A	67.4	Low	58.2	Low	54 Å²	54	107.5 Å²	107.5	45%	0.446	62%	0.617	S	S	.	*	H	α-helix	trans	-61.6	-38.4	179.1	0	0	0	0	0	112.7	R213 K219 D220 L221	R213-A217 WeakPolarHBondContact O-CB 3.24Å; R213-A217 PolarHBondContact O-N 2.85Å; A217-K219 VanDerWaalsContact C-N 3.3Å; A217-K219 PolarHBondContact O-N 3.04Å; A217-D220 PolarHBondContact O-N 3.24Å; A217-L221 WeakPolarHBondContact O-CB 3.21Å; A217-L221 PolarHBondContact O-N 3.36Å
218	M	60.8	Low	58.7	Low	108 Å²	108	113.8 Å²	113.8	53%	0.532	62%	0.618	S	S	.	*	H	α-helix	trans	-66.9	-29.5	173.4	-77.9	-173	-70	0	0	113.1	Q214 V216 L222	Q214-M218 HydrophobicContact CG-CE 4.03Å; Q214-M218 WeakPolarHBondContact O-CB 3.13Å; Q214-M218 WeakPolarHBondContact O-CE 3.39Å; Q214-M218 WeakPolarHBondContact O-CG 3.3Å; Q214-M218 PolarHBondContact O-N 3.14Å; V216-M218 VanDerWaalsContact C-N 3.34Å; V216-M218 PolarHBondContact O-N 3.37Å; M218-L222 WeakPolarHBondContact O-CD1 3.4Å; M218-L222 VanDerWaalsContact O-CG 3.22Å; M218-L222 WeakPolarHBondContact O-CG 3.4Å; M218-L222 PolarHBondContact O-N 2.99Å
219	K	67.4	Low	59.1	Low	142 Å²	142	112.2 Å²	112.2	62%	0.617	61%	0.612	S	S	*	*	H	α-helix	trans	-73.3	-49	174.3	-171.5	-169.8	171.9	-160.8	0	110.9	S215 V216 A217 L221 L222 D223	S215-K219 PolarHBondContact O-N 3.01Å; V216-K219 WeakPolarHBondContact O-CA 3.41Å; V216-K219 WeakPolarHBondContact O-CB 3.48Å; V216-K219 PolarHBondContact O-N 3.13Å; A217-K219 VanDerWaalsContact C-N 3.3Å; A217-K219 PolarHBondContact O-N 3.04Å; K219-L221 VanDerWaalsContact C-N 3.32Å; K219-L221 PolarHBondContact O-N 3.01Å; K219-L222 WeakPolarHBondContact O-CA 3.4Å; K219-L222 WeakPolarHBondContact O-CB 3.41Å; K219-L222 PolarHBondContact O-N 2.84Å; K219-D223 PolarHBondContact O-N 3.49Å
220	D	68.7	Low	59.3	Low	115 Å²	115	113.6 Å²	113.6	62%	0.615	61%	0.609	S	S	*	*	H	α-helix	trans	-59.1	-43	178.5	-159.9	53.7	0	0	0	111.3	V216 A217 L222 D223 A224	V216-D220 WeakPolarHBondContact O-CB 3.4Å; V216-D220 PolarHBondContact O-N 3.3Å; A217-D220 PolarHBondContact O-N 3.24Å; D220-L222 VanDerWaalsContact C-N 3.32Å; D220-L222 PolarHBondContact O-N 2.96Å; D220-D223 PolarHBondContact O-N 2.96Å; D220-A224 VanDerWaalsContact O-CB 3.27Å; D220-A224 WeakPolarHBondContact O-CB 3.41Å; D220-A224 PolarHBondContact O-N 3.02Å
221	L	72.8	Confident	59	Low	107 Å²	107	120.2 Å²	120.2	56%	0.56	61%	0.613	S	S	*	*	H	α-helix	trans	-63.5	-33.1	173.4	-164.8	79.3	0	0	0	112.8	A217 K219 I225	A217-L221 WeakPolarHBondContact O-CB 3.21Å; A217-L221 PolarHBondContact O-N 3.36Å; K219-L221 VanDerWaalsContact C-N 3.32Å; K219-L221 PolarHBondContact O-N 3.01Å; L221-I225 HydrophobicContact CD1-CD1 4.48Å; L221-I225 HydrophobicContact CD2-CD1 4.24Å; L221-I225 HydrophobicContact CG-CD1 3.84Å; L221-I225 VanDerWaalsContact O-CB 3.3Å; L221-I225 WeakPolarHBondContact O-CB 3.39Å; L221-I225 WeakPolarHBondContact O-CD1 3.3Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.13Å
222	L	70.8	Confident	59	Low	106 Å²	106	118.8 Å²	118.8	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-74.1	-39.9	176.7	-78.4	168.9	0	0	0	112.2	M218 K219 D220 A224 I225 Y226	M218-L222 WeakPolarHBondContact O-CD1 3.4Å; M218-L222 VanDerWaalsContact O-CG 3.22Å; M218-L222 WeakPolarHBondContact O-CG 3.4Å; M218-L222 PolarHBondContact O-N 2.99Å; K219-L222 WeakPolarHBondContact O-CA 3.4Å; K219-L222 WeakPolarHBondContact O-CB 3.41Å; K219-L222 PolarHBondContact O-N 2.84Å; D220-L222 VanDerWaalsContact C-N 3.32Å; D220-L222 PolarHBondContact O-N 2.96Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-I225 PolarHBondContact O-N 3.42Å; L222-Y226 PolarHBondContact O-N 2.87Å
223	D	67.2	Low	58.5	Low	87 Å²	87	118.6 Å²	118.6	47%	0.465	61%	0.608	S	S	.	*	H	α-helix	trans	-69.7	-32.6	175.5	-70.2	-33.1	0	0	0	111.1	K219 D220 Y226 P227	K219-D223 PolarHBondContact O-N 3.49Å; D220-D223 PolarHBondContact O-N 2.96Å; D223-Y226 CarbonylContact O-C 3.55Å; D223-Y226 VanDerWaalsContact O-C 3.25Å; D223-P227 WeakPolarHBondContact O-CA 3.37Å
224	A	69.4	Low	58.5	Low	70 Å²	70	114.6 Å²	114.6	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-73.2	-35.3	172.3	0	0	0	0	0	114.2	D220 L222 P227	D220-A224 VanDerWaalsContact O-CB 3.27Å; D220-A224 WeakPolarHBondContact O-CB 3.41Å; D220-A224 PolarHBondContact O-N 3.02Å; L222-A224 VanDerWaalsContact C-N 3.34Å; A224-P227 WeakPolarHBondContact O-CD 3.23Å; A224-P227 WeakPolarHBondContact O-CG 3.34Å
225	I	69.3	Low	58.9	Low	104 Å²	104	112.1 Å²	112.1	53%	0.533	59%	0.587	S	S	.	*	H	α-helix	trans	-78	-25.5	176.6	-70.3	169.3	0	0	0	111.9	L221 L222	L221-I225 HydrophobicContact CD1-CD1 4.48Å; L221-I225 HydrophobicContact CD2-CD1 4.24Å; L221-I225 HydrophobicContact CG-CD1 3.84Å; L221-I225 VanDerWaalsContact O-CB 3.3Å; L221-I225 WeakPolarHBondContact O-CB 3.39Å; L221-I225 WeakPolarHBondContact O-CD1 3.3Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.13Å; L222-I225 PolarHBondContact O-N 3.42Å
226	Y	46.1	Very low	59.3	Low	149 Å²	149	112.2 Å²	112.2	58%	0.584	58%	0.584	S	S	*	*	S	Bend	trans	-125.5	72	172.1	-68.6	-87.4	0	0	0	111.9	L222 D223 R228	L222-Y226 PolarHBondContact O-N 2.87Å; D223-Y226 CarbonylContact O-C 3.55Å; D223-Y226 VanDerWaalsContact O-C 3.25Å; Y226-R228 PolarHBondContact O-N 2.98Å
227	P	51.1	Low	59.2	Low	98 Å²	98	111.5 Å²	111.5	64%	0.636	57%	0.571	S	S	*	*			trans	-53.5	113.1	179.2	-27.1	36.2	0	0	0	111.5	D223 A224 A229	D223-P227 WeakPolarHBondContact O-CA 3.37Å; A224-P227 WeakPolarHBondContact O-CD 3.23Å; A224-P227 WeakPolarHBondContact O-CG 3.34Å; P227-A229 PolarHBondContact O-N 3.3Å
228	R	50.3	Low	59	Low	206 Å²	206	113.6 Å²	113.6	78%	0.777	57%	0.574	S	S	*	*			trans	-78.9	75.6	170.4	-72.7	-68.5	-176	141	1.4	108.8	Y226 D230	Y226-R228 PolarHBondContact O-N 2.98Å; R228-D230 PolarHBondContact O-N 2.95Å
229	A	45	Very low	59.3	Low	87 Å²	87	112 Å²	112	72%	0.719	57%	0.565	S	S	*	*			trans	-51.2	136	160	0	0	0	0	0	108.7	P227 R231	P227-A229 PolarHBondContact O-N 3.3Å; A229-R231 PolarHBondContact O-N 3.01Å
230	D	54	Low	58.9	Low	156 Å²	156	109.7 Å²	109.7	83%	0.834	57%	0.565	S	S	*	*			trans	-50.9	129.2	-167.1	-82.5	-58	0	0	0	112.7	R228	R228-D230 PolarHBondContact O-N 2.95Å
231	R	43.2	Very low	58.4	Low	206 Å²	206	106.2 Å²	106.2	78%	0.777	55%	0.546	S	S	*	.			trans	-93.9	112.5	154.9	-75.6	-171.1	170.6	-165.3	-5.6	105.8	A229 D233	A229-R231 PolarHBondContact O-N 3.01Å; R231-D233 PolarHBondContact O-N 2.91Å
232	P	46.9	Very low	57.7	Low	64 Å²	64	110.9 Å²	110.9	42%	0.416	57%	0.565	S	S	.	*			trans	-58.8	133.4	171.7	26.2	-33.5	0	0	0	108.2	Y234 T254	P232-Y234 HydrophobicContact CG-CE2 3.95Å; P232-Y234 WeakPolarHBondContact O-CD2 3.2Å; P232-Y234 PolarHBondContact O-N 3.36Å; P232-T254 HydrophobicContact CB-CG2 3.94Å; P232-T254 HydrophobicContact CG-CG2 4.18Å
233	D	43.8	Very low	57.3	Low	124 Å²	124	111.7 Å²	111.7	66%	0.663	57%	0.574	S	S	*	*			trans	-69.7	110.3	-177.5	-93.1	-47.1	0	0	0	109.9	R231 V235 E255	R231-D233 PolarHBondContact O-N 2.91Å; D233-V235 PolarHBondContact O-N 2.76Å; D233-E255 PolarHBondContact O-N 3.26Å
234	Y	55.5	Low	56.7	Low	142 Å²	142	111.1 Å²	111.1	56%	0.557	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.9	103.4	179.5	-72.7	-81.3	0	0	0	110	P232 L252 T253 T254	P232-Y234 HydrophobicContact CG-CE2 3.95Å; P232-Y234 WeakPolarHBondContact O-CD2 3.2Å; P232-Y234 PolarHBondContact O-N 3.36Å; Y234-L252 HydrophobicContact CD1-CB 4.39Å; Y234-T253 CarbonylContact C-O 3.36Å; Y234-T253 WeakPolarHBondContact CA-O 3.49Å; Y234-T254 HydrophobicContact CD1-CG2 3.86Å; Y234-T254 HydrophobicContact CE1-CG2 3.6Å
235	V	63.4	Low	56.3	Low	64 Å²	64	114.7 Å²	114.7	39%	0.388	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	127.6	175.5	-174	0	0	0	0	109.5	D233 R237 T253	D233-V235 PolarHBondContact O-N 2.76Å; V235-R237 PolarHBondContact O-N 2.96Å; V235-T253 PolarHBondContact N-O 3.21Å; V235-T253 PolarHBondContact O-N 2.97Å; V235-T253 VanDerWaalsContact O-N 3.15Å; V235-T253 PolarHBondContact O-OG1 3.3Å
236	V	65.2	Low	55.9	Low	71 Å²	71	119 Å²	119	43%	0.43	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.6	113.2	173.7	177.3	0	0	0	0	109.3	L238 Q250 L252	V236-L238 HydrophobicContact CG1-CD2 4.35Å; V236-L238 HydrophobicContact CG1-CG 4.43Å; V236-Q250 HydrophobicContact CG1-CG 3.76Å; V236-L252 HydrophobicContact CG2-CD2 3.64Å
237	R	64.5	Low	56.5	Low	82 Å²	82	113.5 Å²	113.5	31%	0.309	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	141.4	172.1	-174.9	158.3	161.4	174.5	-9.1	110.2	V235 E239 Y251	V235-R237 PolarHBondContact O-N 2.96Å; R237-E239 HydrophobicContact CG-CG 4.2Å; R237-E239 IonicContact CZ-OE1 2.68Å; R237-E239 IonicContact NE-OE1 2.73Å; R237-E239 PolarHBondContact NE-OE1 3.02Å; R237-E239 IonicContact NH2-OE1 2.91Å; R237-E239 PolarHBondContact NH2-OE1 2.79Å; R237-Y251 HydrophobicContact CB-CD2 4.49Å; R237-Y251 HydrophobicContact CB-CE1 4.3Å; R237-Y251 HydrophobicContact CB-CE2 4.07Å; R237-Y251 VanDerWaalsContact CD-OH 3.23Å; R237-Y251 WeakPolarHBondContact CD-OH 3.34Å; R237-Y251 HydrophobicContact CG-CE1 4.18Å; R237-Y251 HydrophobicContact CG-CE2 4.41Å; R237-Y251 PolarHBondContact N-O 2.97Å; R237-Y251 VanDerWaalsContact N-O 3.11Å; R237-Y251 PolarHBondContact NE-OH 3.16Å; R237-Y251 PolarHBondContact O-N 3.44Å
238	L	64.6	Low	57.3	Low	97 Å²	97	112.4 Å²	112.4	51%	0.508	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.5	113.8	-179.3	-66.5	178.2	0	0	0	109.7	V236 V248 F249 Q250	V236-L238 HydrophobicContact CG1-CD2 4.35Å; V236-L238 HydrophobicContact CG1-CG 4.43Å; L238-V248 HydrophobicContact CB-CB 4.25Å; L238-V248 HydrophobicContact CB-CG1 4.47Å; L238-V248 HydrophobicContact CB-CG2 4.37Å; L238-V248 HydrophobicContact CD2-CB 4.5Å; L238-V248 HydrophobicContact CD2-CG2 3.97Å; L238-F249 WeakPolarHBondContact CA-O 3.43Å; L238-Q250 HydrophobicContact CD2-CB 3.57Å; L238-Q250 HydrophobicContact CD2-CG 3.64Å
239	E	65	Low	57.7	Low	75 Å²	75	108.8 Å²	108.8	35%	0.35	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	127.1	-178.6	-61.1	-157.7	146.9	0	0	111.7	R237 I241 V248 F249 Y251	R237-E239 HydrophobicContact CG-CG 4.2Å; R237-E239 IonicContact CZ-OE1 2.68Å; R237-E239 IonicContact NE-OE1 2.73Å; R237-E239 PolarHBondContact NE-OE1 3.02Å; R237-E239 IonicContact NH2-OE1 2.91Å; R237-E239 PolarHBondContact NH2-OE1 2.79Å; E239-I241 PolarHBondContact O-N 3.42Å; E239-V248 CarbonylContact O-C 3.25Å; E239-V248 WeakPolarHBondContact O-CA 3.43Å; E239-F249 PolarHBondContact N-O 3.13Å; E239-F249 PolarHBondContact O-N 2.86Å; E239-Y251 HydrophobicContact CG-CE1 4.11Å
240	P	59.5	Low	58.6	Low	93 Å²	93	111.1 Å²	111.1	60%	0.604	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-59.2	129.8	178.8	-24.7	34.7	0	0	0	112.7	Q242	P240-Q242 PolarHBondContact O-N 2.85Å
241	I	58.7	Low	59	Low	42 Å²	42	107.8 Å²	107.8	22%	0.215	54%	0.538	C	S	.	.			trans	-71.3	120.5	172.7	-51.7	-171.4	0	0	0	107.6	E239 T243 T244 A247 F249	E239-I241 PolarHBondContact O-N 3.42Å; I241-T243 PolarHBondContact O-N 3.18Å; I241-T244 CarbonylContact O-C 3.6Å; I241-T244 PolarHBondContact O-N 2.8Å; I241-T244 VanDerWaalsContact O-O 3.08Å; I241-A247 HydrophobicContact CB-CB 4.3Å; I241-A247 HydrophobicContact CD1-CB 3.77Å; I241-A247 HydrophobicContact CG1-CB 4.04Å; I241-A247 PolarHBondContact N-O 3.41Å; I241-F249 HydrophobicContact CB-CE2 4.38Å; I241-F249 HydrophobicContact CD1-CD1 4.2Å; I241-F249 HydrophobicContact CD1-CD2 4.14Å; I241-F249 HydrophobicContact CD1-CE1 3.94Å; I241-F249 HydrophobicContact CD1-CE2 3.89Å; I241-F249 HydrophobicContact CD1-CG 4.28Å; I241-F249 HydrophobicContact CD1-CZ 3.78Å; I241-F249 HydrophobicContact CG1-CD2 3.71Å; I241-F249 HydrophobicContact CG1-CE2 3.7Å; I241-F249 HydrophobicContact CG1-CG 4.17Å; I241-F249 HydrophobicContact CG1-CZ 4.14Å; I241-F249 HydrophobicContact CG2-CE2 4.11Å; I241-F249 HydrophobicContact CG2-CZ 4.48Å
242	Q	57.9	Low	59.8	Low	206 Å²	206	103.5 Å²	103.5	96%	0.963	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.8	-171.4	-62.9	-178.7	4.6	0	0	114.4	P240	P240-Q242 PolarHBondContact O-N 2.85Å
243	T	63.5	Low	60.8	Low	123 Å²	123	101.5 Å²	101.5	76%	0.755	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.4	178.3	57.7	0	0	0	0	114.5	I241	I241-T243 PolarHBondContact O-N 3.18Å
244	T	54	Low	62.2	Low	75 Å²	75	96.9 Å²	96.9	46%	0.46	49%	0.492	S	S	.	.			trans	-152.2	121	178.2	55	0	0	0	0	112.7	I241 K246 A247	I241-T244 CarbonylContact O-C 3.6Å; I241-T244 PolarHBondContact O-N 2.8Å; I241-T244 VanDerWaalsContact O-O 3.08Å; T244-K246 PolarHBondContact O-N 3.49Å; T244-A247 PolarHBondContact O-N 2.98Å; T244-A247 VanDerWaalsContact O-N 3.17Å
245	N	61.8	Low	62.4	Low	144 Å²	144	96.2 Å²	96.2	77%	0.77	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	15.7	177	71.8	-6	0	0	0	115.8
246	K	60.9	Low	62.1	Low	195 Å²	195	99 Å²	99	85%	0.848	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-0.5	178.4	-53.2	-159	178.5	-169.8	0	113.5	T244	T244-K246 PolarHBondContact O-N 3.49Å
247	A	58.5	Low	61.7	Low	34 Å²	34	100.7 Å²	100.7	28%	0.281	51%	0.507	S	S	.	.			trans	-112.5	142.3	166.8	0	0	0	0	0	108.7	I241 T244	I241-A247 HydrophobicContact CB-CB 4.3Å; I241-A247 HydrophobicContact CD1-CB 3.77Å; I241-A247 HydrophobicContact CG1-CB 4.04Å; I241-A247 PolarHBondContact N-O 3.41Å; T244-A247 PolarHBondContact O-N 2.98Å; T244-A247 VanDerWaalsContact O-N 3.17Å
248	V	67.8	Low	61.3	Low	75 Å²	75	100.7 Å²	100.7	46%	0.455	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.3	177.2	-73.9	0	0	0	0	109.2	L238 E239	L238-V248 HydrophobicContact CB-CB 4.25Å; L238-V248 HydrophobicContact CB-CG1 4.47Å; L238-V248 HydrophobicContact CB-CG2 4.37Å; L238-V248 HydrophobicContact CD2-CB 4.5Å; L238-V248 HydrophobicContact CD2-CG2 3.97Å; E239-V248 CarbonylContact O-C 3.25Å; E239-V248 WeakPolarHBondContact O-CA 3.43Å
249	F	58	Low	60.9	Low	129 Å²	129	99.9 Å²	99.9	57%	0.566	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.2	162.9	-73.4	-62.1	0	0	0	108.9	L238 E239 I241	L238-F249 WeakPolarHBondContact CA-O 3.43Å; E239-F249 PolarHBondContact N-O 3.13Å; E239-F249 PolarHBondContact O-N 2.86Å; I241-F249 HydrophobicContact CB-CE2 4.38Å; I241-F249 HydrophobicContact CD1-CD1 4.2Å; I241-F249 HydrophobicContact CD1-CD2 4.14Å; I241-F249 HydrophobicContact CD1-CE1 3.94Å; I241-F249 HydrophobicContact CD1-CE2 3.89Å; I241-F249 HydrophobicContact CD1-CG 4.28Å; I241-F249 HydrophobicContact CD1-CZ 3.78Å; I241-F249 HydrophobicContact CG1-CD2 3.71Å; I241-F249 HydrophobicContact CG1-CE2 3.7Å; I241-F249 HydrophobicContact CG1-CG 4.17Å; I241-F249 HydrophobicContact CG1-CZ 4.14Å; I241-F249 HydrophobicContact CG2-CE2 4.11Å; I241-F249 HydrophobicContact CG2-CZ 4.48Å
250	Q	63.9	Low	60.1	Low	137 Å²	137	103.2 Å²	103.2	64%	0.64	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.9	177.8	-177.4	177.7	-1.4	0	0	109.5	V236 L238	V236-Q250 HydrophobicContact CG1-CG 3.76Å; L238-Q250 HydrophobicContact CD2-CB 3.57Å; L238-Q250 HydrophobicContact CD2-CG 3.64Å
251	Y	61.8	Low	59.3	Low	86 Å²	86	106.2 Å²	106.2	34%	0.337	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	166	171.6	61.8	-88.5	0	0	0	111.5	R237 E239 T253	R237-Y251 HydrophobicContact CB-CD2 4.49Å; R237-Y251 HydrophobicContact CB-CE1 4.3Å; R237-Y251 HydrophobicContact CB-CE2 4.07Å; R237-Y251 VanDerWaalsContact CD-OH 3.23Å; R237-Y251 WeakPolarHBondContact CD-OH 3.34Å; R237-Y251 HydrophobicContact CG-CE1 4.18Å; R237-Y251 HydrophobicContact CG-CE2 4.41Å; R237-Y251 PolarHBondContact N-O 2.97Å; R237-Y251 VanDerWaalsContact N-O 3.11Å; R237-Y251 PolarHBondContact NE-OH 3.16Å; R237-Y251 PolarHBondContact O-N 3.44Å; E239-Y251 HydrophobicContact CG-CE1 4.11Å; Y251-T253 HydrophobicContact CD2-CG2 3.88Å; Y251-T253 HydrophobicContact CE2-CG2 3.69Å
252	L	60.7	Low	58.5	Low	115 Å²	115	108.9 Å²	108.9	60%	0.602	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.9	130	-179.7	-68.5	163.5	0	0	0	108	Y234 V236	Y234-L252 HydrophobicContact CD1-CB 4.39Å; V236-L252 HydrophobicContact CG2-CD2 3.64Å
253	T	67.3	Low	57.3	Low	22 Å²	22	103.5 Å²	103.5	14%	0.135	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.8	-179.6	23.2	0	0	0	0	108.7	Y234 V235 Y251	Y234-T253 CarbonylContact C-O 3.36Å; Y234-T253 WeakPolarHBondContact CA-O 3.49Å; V235-T253 PolarHBondContact N-O 3.21Å; V235-T253 PolarHBondContact O-N 2.97Å; V235-T253 VanDerWaalsContact O-N 3.15Å; V235-T253 PolarHBondContact O-OG1 3.3Å; Y251-T253 HydrophobicContact CD2-CG2 3.88Å; Y251-T253 HydrophobicContact CE2-CG2 3.69Å
254	T	72.9	Confident	56.1	Low	27 Å²	27	105.9 Å²	105.9	17%	0.166	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	156.1	176.5	59.6	0	0	0	0	111.3	P232 Y234 E256 E257 L258	P232-T254 HydrophobicContact CB-CG2 3.94Å; P232-T254 HydrophobicContact CG-CG2 4.18Å; Y234-T254 HydrophobicContact CD1-CG2 3.86Å; Y234-T254 HydrophobicContact CE1-CG2 3.6Å; T254-E256 VanDerWaalsContact C-N 3.26Å; T254-E256 PolarHBondContact O-N 3.12Å; T254-E257 PolarHBondContact O-N 2.21Å; T254-L258 PolarHBondContact O-N 2.98Å; T254-L258 VanDerWaalsContact O-N 3.08Å
255	E	61.1	Low	54.9	Low	129 Å²	129	108.8 Å²	108.8	60%	0.603	56%	0.558	S	S	*	*	H	α-helix	trans	-59.2	-35.7	176.4	-172.8	167.4	-155.3	0	0	112.8	D233 E257 L258 A259	D233-E255 PolarHBondContact O-N 3.26Å; E255-E257 VanDerWaalsContact C-N 3.34Å; E255-E257 PolarHBondContact O-N 3.15Å; E255-L258 WeakPolarHBondContact O-CB 3.31Å; E255-L258 PolarHBondContact O-N 2.54Å; E255-A259 PolarHBondContact O-N 3.48Å
256	E	57	Low	53.3	Low	121 Å²	121	108.4 Å²	108.4	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-64.8	-35.3	176.7	-159.6	-156.9	140.7	0	0	113	T254 R260	T254-E256 VanDerWaalsContact C-N 3.26Å; T254-E256 PolarHBondContact O-N 3.12Å; E256-R260 PolarHBondContact O-N 3.35Å; E256-R260 IonicContact OE1-CZ 3.18Å; E256-R260 IonicContact OE1-NH1 3.24Å; E256-R260 PolarHBondContact OE1-NH1 2.82Å; E256-R260 IonicContact OE1-NH2 2.7Å; E256-R260 PolarHBondContact OE1-NH2 2.78Å
257	E	56	Low	51.9	Low	108 Å²	108	105 Å²	105	51%	0.505	56%	0.562	S	S	.	*	H	α-helix	trans	-74.4	-35.8	176.3	-168.6	170.8	-151.6	0	0	111	T254 E255 R260	T254-E257 PolarHBondContact O-N 2.21Å; E255-E257 VanDerWaalsContact C-N 3.34Å; E255-E257 PolarHBondContact O-N 3.15Å; E257-R260 PolarHBondContact O-N 3.14Å
258	L	56	Low	50.3	Low	81 Å²	81	108.2 Å²	108.2	42%	0.424	59%	0.588	S	S	.	*	H	α-helix	trans	-66.4	-35.6	174.9	-167.6	68.1	0	0	0	112.5	T254 E255 R260	T254-L258 PolarHBondContact O-N 2.98Å; T254-L258 VanDerWaalsContact O-N 3.08Å; E255-L258 WeakPolarHBondContact O-CB 3.31Å; E255-L258 PolarHBondContact O-N 2.54Å; L258-R260 VanDerWaalsContact C-N 3.26Å; L258-R260 PolarHBondContact O-N 3.37Å
259	A	56.7	Low	48.6	Very low	81 Å²	81	114.4 Å²	114.4	67%	0.669	60%	0.604	S	S	*	*	H	α-helix	trans	-70.2	-20	174.7	0	0	0	0	0	113.6	E255	E255-A259 PolarHBondContact O-N 3.48Å
260	R	48.8	Very low	47.2	Very low	145 Å²	145	114.6 Å²	114.6	55%	0.547	61%	0.606	S	S	.	*	H	α-helix	trans	-91.5	-20.9	-170.4	-165.1	161	-74	136.1	-1.3	114.4	E256 E257 L258	E256-R260 PolarHBondContact O-N 3.35Å; E256-R260 IonicContact OE1-CZ 3.18Å; E256-R260 IonicContact OE1-NH1 3.24Å; E256-R260 PolarHBondContact OE1-NH1 2.82Å; E256-R260 IonicContact OE1-NH2 2.7Å; E256-R260 PolarHBondContact OE1-NH2 2.78Å; E257-R260 PolarHBondContact O-N 3.14Å; L258-R260 VanDerWaalsContact C-N 3.26Å; L258-R260 PolarHBondContact O-N 3.37Å
261	F	41.4	Very low	45.3	Very low	155 Å²	155	113.6 Å²	113.6	68%	0.68	61%	0.614	S	S	*	*			trans	-140.9	88.6	178.9	-69.8	-75.7	0	0	0	113.7	S263	F261-S263 PolarHBondContact O-N 3.18Å
262	P	42.6	Very low	44.7	Very low	99 Å²	99	115.1 Å²	115.1	64%	0.643	64%	0.635	S	S	*	*			trans	-74.9	91.5	175.1	-12.1	28.7	0	0	0	111.6	H264	P262-H264 PolarHBondContact O-CE1 3.11Å; P262-H264 PolarHBondContact O-ND1 3.26Å
263	S	33.2	Very low	43.2	Very low	92 Å²	92	116.1 Å²	116.1	64%	0.643	65%	0.645	S	S	*	*			trans	-72.4	128	-179.4	-41.7	0	0	0	0	112.6	F261	F261-S263 PolarHBondContact O-N 3.18Å
264	H	37.1	Very low	41.3	Very low	174 Å²	174	119 Å²	119	81%	0.806	67%	0.671	S	S	*	*			trans	-89.9	142.2	-170.9	-28.6	-76.3	0	0	0	113.8	P262	P262-H264 PolarHBondContact O-CE1 3.11Å; P262-H264 PolarHBondContact O-ND1 3.26Å
265	T	28.8	Very low	39.1	Very low	135 Å²	135	127.7 Å²	127.7	83%	0.828	70%	0.701	S	S	*	*			trans	-136.3	83.5	156.6	60.1	0	0	0	0	111
266	T	28.1	Very low	37.4	Very low	136 Å²	136	129.1 Å²	129.1	83%	0.834	71%	0.708	S	S	*	*			trans	35.6	108.4	154.9	55.7	0	0	0	0	119.4
267	S	31.9	Very low	36	Very low	125 Å²	125	126.2 Å²	126.2	87%	0.874	71%	0.71	S	S	*	*			trans	-78.8	148.9	157.8	-178.9	0	0	0	0	111.3
268	A	25.8	Very low	34.4	Very low	101 Å²	101	129.7 Å²	129.7	84%	0.835	73%	0.726	S	S	*	*			trans	-154	91.4	167.6	0	0	0	0	0	112.6
269	R	31.4	Very low	33	Very low	205 Å²	205	131.1 Å²	131.1	77%	0.774	74%	0.738	S	S	*	*			trans	-94	157.8	144.3	-98.9	174.6	155.7	-119.2	-5.4	105.9
270	E	28.6	Very low	31.4	Very low	133 Å²	133	134.7 Å²	134.7	62%	0.621	74%	0.743	S	S	*	*			cis	-162.1	-172.2	9.5	-138.4	153.9	155.7	0	0	110.1
271	S	24.6	Very low	30.4	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	75%	0.754	S	S	*	*			trans	80	159	156.7	-79.4	0	0	0	0	120.1
272	P	49.6	Very low	29.7	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	75%	0.753	S	S	*	*			trans	-128.7	173.4	-141.3	43.1	-29	0	0	0	116.2
273	V	27.6	Very low	29	Very low	137 Å²	137	133 Å²	133	83%	0.83	76%	0.761	S	S	*	*			trans	-136.3	144.8	165.3	-178.3	0	0	0	0	108.9
274	A	28.6	Very low	28.5	Very low	82 Å²	82	136 Å²	136	68%	0.678	77%	0.765	S	S	*	*			trans	-103.8	-145.1	-179.9	0	0	0	0	0	111.6
275	W	25.4	Very low	28	Very low	210 Å²	210	134 Å²	134	80%	0.795	76%	0.76	S	S	*	*			trans	74	144.1	-175.1	-47.3	99.8	0	0	0	115.7
276	E	26.1	Very low	27.8	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.743	76%	0.759	S	S	*	*			cis	-173.6	178.3	-44.2	-114.8	173.2	-149.1	0	0	107.8
277	G	27	Very low	28.4	Very low	59 Å²	59	132.8 Å²	132.8	61%	0.608	75%	0.749	S	S	*	*			trans	93.6	105.6	-173.4	0	0	0	0	0	111.1
278	E	24.2	Very low	27.9	Very low	181 Å²	181	133.7 Å²	133.7	85%	0.846	74%	0.744	S	S	*	*			cis	63.3	140.3	49.8	-48.9	-166.5	116	0	0	112.9
279	T	24.8	Very low	27.9	Very low	111 Å²	111	134 Å²	134	68%	0.681	74%	0.74	S	S	*	*			cis	-138.7	150.4	12	6.9	0	0	0	0	109.1
280	M	24.8	Very low	27.7	Very low	156 Å²	156	133.1 Å²	133.1	77%	0.768	75%	0.745	S	S	*	*				63.2	127.7	81.9	-147.7	155.6	122.6	0	0	111.2
281	E	27.3	Very low	27.8	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	75%	0.746	S	S	*	*			cis	-139.3	171.6	20.4	-70.1	-177.6	149.5	0	0	111.5
282	G	26.4	Very low	27.6	Very low	64 Å²	64	133.8 Å²	133.8	66%	0.66	75%	0.749	S	S	*	*			cis	155	178.1	-4.1	0	0	0	0	0	111.7
283	V	27.2	Very low	26.3	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	75%	0.748	S	S	*	*			trans	61.9	125.6	151.3	174.2	0	0	0	0	118.1
284	E	24.2	Very low	26.7	Very low	154 Å²	154	131.3 Å²	131.3	72%	0.72	74%	0.743	S	S	*	*			cis	-172.4	-177.8	-9.1	-146	177.6	-149	0	0	111.3
285	N	26.2	Very low	26.5	Very low	132 Å²	132	136.3 Å²	136.3	71%	0.706	75%	0.753	S	S	*	*			trans	73.3	106.7	151.6	-63.6	-35.5	0	0	0	122.3
286	N	23.4	Very low	26.4	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	74%	0.744	S	S	*	*			trans	-67.4	178.6	141.4	-141.1	24.4	0	0	0	109.2
287	P	41	Very low	26.4	Very low	96 Å²	96	131.1 Å²	131.1	62%	0.623	75%	0.746	S	S	*	*			cis	-140.6	174.3	5.3	42.7	-23.8	0	0	0	118.4
288	D	22.7	Very low	26.2	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	76%	0.757	S	S	*	*			trans	89	155.1	136.1	-107.4	-55.6	0	0	0	124.6
289	S	24.1	Very low	26.1	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	75%	0.753	S	S	*	*			trans	73	121.9	165.5	-61.8	0	0	0	0	121.4
290	Q	28.1	Very low	26.7	Very low	187 Å²	187	131.6 Å²	131.6	87%	0.874	76%	0.756	S	S	*	*			trans	-69.7	171.1	150.2	-78.3	-165.7	-16.5	0	0	110.5
291	P	30.9	Very low	26.7	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	76%	0.758	S	S	*	*			cis	-148.6	-172.4	25.8	44.7	-24.1	0	0	0	118.4
292	N	20	Very low	27	Very low	162 Å²	162	128.1 Å²	128.1	87%	0.866	76%	0.757	S	S	*	*			trans	69.4	161.6	152.8	-70.1	-18.5	0	0	0	120.6
293	A	21.7	Very low	26.8	Very low	91 Å²	91	134.4 Å²	134.4	75%	0.752	77%	0.766	S	S	*	*			trans	-98.2	-178.2	172.8	0	0	0	0	0	110
294	P	36.7	Very low	26.7	Very low	111 Å²	111	133.6 Å²	133.6	72%	0.721	76%	0.762	S	S	*	*				-155.7	174.6	69	46	-26.8	0	0	0	117.5
295	E	23.8	Very low	26.5	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	77%	0.771	S	S	*	*			trans	58.7	157	154.8	-48.5	-126.8	102.2	0	0	118.4
296	S	24	Very low	26.3	Very low	87 Å²	87	139.5 Å²	139.5	61%	0.608	78%	0.775	S	S	*	*			cis	-152	174.9	-16.4	50.6	0	0	0	0	106.2
297	H	25	Very low	26.6	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.796	77%	0.767	S	S	*	*			cis	-165.6	-177.8	33.7	-112.7	-57.1	0	0	0	110.6
298	V	23.5	Very low	25.9	Very low	139 Å²	139	138.7 Å²	138.7	84%	0.842	78%	0.776	S	S	*	*			trans	91.1	129.7	163	-164.2	0	0	0	0	118.6
299	S	21.8	Very low	26.1	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	78%	0.776	S	S	*	*			trans	-94.6	-161.1	-173.6	-31.1	0	0	0	0	112.2
300	P	37	Very low	26.2	Very low	115 Å²	115	141.9 Å²	141.9	75%	0.747	78%	0.779	S	S	*	*			cis	-133.3	175.9	-17.2	38.8	-22.6	0	0	0	114.4
301	V	25.8	Very low	26.3	Very low	136 Å²	136	136.8 Å²	136.8	82%	0.824	77%	0.769	S	S	*	*			trans	174.3	140.1	131	145.4	0	0	0	0	110.8
302	P	32.5	Very low	26	Very low	115 Å²	115	140 Å²	140	75%	0.747	77%	0.773	S	S	*	*			trans	-105.1	-178	-167.4	41.2	-38.1	0	0	0	115.8
303	K	23	Very low	26.3	Very low	196 Å²	196	138.8 Å²	138.8	85%	0.852	76%	0.762	S	S	*	*			trans	-134.8	139.5	160.5	-83.9	-176	178.1	174.1	0	112
304	T	24.2	Very low	26.4	Very low	117 Å²	117	142.8 Å²	142.8	72%	0.718	77%	0.765	S	S	*	*			trans	36.9	129.5	144.7	-42.7	0	0	0	0	121.2
305	W	21	Very low	25.9	Very low	242 Å²	242	144.1 Å²	144.1	92%	0.917	76%	0.762	S	S	*	*			trans	-132.6	168.4	145.6	42.5	-81.6	0	0	0	109.8
306	E	22.6	Very low	26.3	Very low	167 Å²	167	141.1 Å²	141.1	78%	0.78	76%	0.758	S	S	*	*			trans	-108.4	-168.5	-172.7	-68.5	-84.3	152.6	0	0	111.3
307	A	29.8	Very low	26.6	Very low	79 Å²	79	145.5 Å²	145.5	65%	0.653	77%	0.766	S	S	*	*			trans	99.6	103.5	160.1	0	0	0	0	0	119.4
308	D	26	Very low	27.3	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	76%	0.76	S	S	*	*				73.9	152.1	116.2	-72.8	-61.6	0	0	0	127
309	D	26.8	Very low	27.6	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	76%	0.759	S	S	*	*			trans	94.1	146.2	142.7	-92	-47.1	0	0	0	127.2
310	E	27.1	Very low	27.9	Very low	175 Å²	175	146 Å²	146	82%	0.818	76%	0.761	S	S	*	*			trans	-59.8	172.6	-164	-82.3	-173	32.4	0	0	122.5
311	A	28.5	Very low	28.1	Very low	79 Å²	79	148.7 Å²	148.7	65%	0.653	76%	0.764	S	S	*	*				116.4	123.9	128.2	0	0	0	0	0	120.1
312	K	25.4	Very low	28.2	Very low	168 Å²	168	145.9 Å²	145.9	73%	0.73	76%	0.763	S	S	*	*			trans	63.5	154.7	150.8	-63.2	178.9	150.6	-73.4	0	117.5
313	E	25.4	Very low	28.5	Very low	137 Å²	137	146.2 Å²	146.2	64%	0.64	77%	0.768	S	S	*	*			cis	-152.7	176.3	-5.5	-141.6	93.8	-104.4	0	0	106.3
314	E	25.1	Very low	28.7	Very low	174 Å²	174	143.6 Å²	143.6	81%	0.813	76%	0.764	S	S	*	*			cis	-149	-123.4	-5.4	-160.3	-158.5	137.5	0	0	109.6
315	Q	25.7	Very low	29.5	Very low	140 Å²	140	142.9 Å²	142.9	65%	0.654	76%	0.763	S	S	*	*			trans	-150.9	159.7	170.2	-139	-179	111.7	0	0	109.1
316	P	32.8	Very low	30	Very low	125 Å²	125	134.3 Å²	134.3	81%	0.812	75%	0.75	S	S	*	*				-148.2	174.4	88.1	37.7	-19.4	0	0	0	115.4
317	K	29.1	Very low	30.8	Very low	179 Å²	179	133.6 Å²	133.6	78%	0.778	76%	0.757	S	S	*	*			trans	-95.5	162	165.2	-71.4	-176.2	170	-174.4	0	111
318	P	40.9	Very low	31.6	Very low	101 Å²	101	137.9 Å²	137.9	66%	0.656	76%	0.763	S	S	*	*				-146.6	178.2	95	37.2	-19.1	0	0	0	116
319	E	29	Very low	32.9	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	76%	0.757	S	S	*	*			trans	30.1	150	148.4	69.5	-149.5	128.2	0	0	123.6
320	D	29.4	Very low	34.7	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	75%	0.754	S	S	*	*			cis	-159	174.5	-21.8	-174.4	-131	0	0	0	109.6
321	E	39.5	Very low	37.1	Very low	172 Å²	172	131.1 Å²	131.1	80%	0.804	74%	0.74	S	S	*	*			trans	-41.8	138.5	-174.2	-70.9	-76.1	129.9	0	0	118.6
322	G	29.6	Very low	39.5	Very low	78 Å²	78	129.2 Å²	129.2	80%	0.804	72%	0.718	S	S	*	*			trans	176.4	71.4	173.6	0	0	0	0	0	117.2
323	S	37.6	Very low	42.3	Very low	122 Å²	122	124.5 Å²	124.5	85%	0.853	71%	0.706	S	S	*	*			trans	-71.5	132.4	-173	-76.8	0	0	0	0	116.5
324	N	28	Very low	45.1	Very low	141 Å²	141	118 Å²	118	75%	0.754	68%	0.676	S	S	*	*				-156.3	107.5	129.8	-151.2	0.3	0	0	0	116.4	G326	N324-G326 PolarHBondContact O-N 2.76Å
325	S	39.8	Very low	47.6	Very low	101 Å²	101	116 Å²	116	71%	0.706	68%	0.68	S	S	*	*			trans	36.6	58.2	152.2	80.9	0	0	0	0	120.4
326	G	31.3	Very low	50.1	Low	63 Å²	63	112.4 Å²	112.4	65%	0.649	67%	0.665	S	S	*	*			trans	-67.9	132.4	142.2	0	0	0	0	0	109	N324 E328	N324-G326 PolarHBondContact O-N 2.76Å; G326-E328 PolarHBondContact O-N 3.36Å; G326-E328 VanDerWaalsContact O-N 3.08Å
327	V	41.3	Very low	52.4	Low	151 Å²	151	109 Å²	109	92%	0.915	64%	0.644	S	S	*	*			trans	-85.6	74.4	171.5	-163	0	0	0	0	108.2
328	E	46.3	Very low	54.7	Low	170 Å²	170	103.1 Å²	103.1	79%	0.794	63%	0.634	S	S	*	*			trans	-58.9	141.4	-178.9	-62.8	-170.6	137.8	0	0	111.5	G326 V330	G326-E328 PolarHBondContact O-N 3.36Å; G326-E328 VanDerWaalsContact O-N 3.08Å; E328-V330 PolarHBondContact O-N 3.28Å
329	D	52.8	Low	56.7	Low	127 Å²	127	103.9 Å²	103.9	68%	0.679	63%	0.628	S	S	*	*			trans	-67.7	106.9	179.3	-124.8	-21.5	0	0	0	108.2	T331	D329-T331 PolarHBondContact O-N 2.74Å
330	V	65.4	Low	59.2	Low	115 Å²	115	100.1 Å²	100.1	70%	0.697	61%	0.614	S	S	*	*			trans	-63.4	95	-173.9	-178.8	0	0	0	0	110.2	E328 I332	E328-V330 PolarHBondContact O-N 3.28Å; V330-I332 HydrophobicContact CG1-CG1 4.45Å; V330-I332 WeakPolarHBondContact O-CG1 3.15Å; V330-I332 PolarHBondContact O-N 3.49Å
331	T	76.6	Confident	62	Low	84 Å²	84	94.7 Å²	94.7	52%	0.515	58%	0.583	S	S	.	*			trans	-69.4	116.8	176.5	45.3	0	0	0	0	109.3	D329	D329-T331 PolarHBondContact O-N 2.74Å
332	I	79.4	Confident	64.1	Low	40 Å²	40	91.8 Å²	91.8	21%	0.205	57%	0.573	C	S	.	*			trans	-101.6	101.8	-176.8	-48.6	-175.3	0	0	0	108.2	V330 F341 R344 I347	V330-I332 HydrophobicContact CG1-CG1 4.45Å; V330-I332 WeakPolarHBondContact O-CG1 3.15Å; V330-I332 PolarHBondContact O-N 3.49Å; I332-F341 PolarHBondContact N-O 3.16Å; I332-F341 WeakPolarHBondContact O-CB 3.48Å; I332-F341 PolarHBondContact O-N 2.8Å; I332-R344 HydrophobicContact CD1-CB 3.62Å; I332-R344 HydrophobicContact CD1-CG 3.69Å; I332-I347 HydrophobicContact CB-CD1 4.49Å; I332-I347 HydrophobicContact CG2-CD1 3.78Å; I332-I347 HydrophobicContact CG2-CG2 4.38Å
333	S	82.6	Confident	66.5	Low	68 Å²	68	90.4 Å²	90.4	48%	0.476	55%	0.551	S	S	.	*			trans	-70.7	147.4	178.6	49.5	0	0	0	0	113.9	C335 G338 Q339 I347	S333-C335 PolarHBondContact O-N 3.04Å; S333-G338 WeakPolarHBondContact CB-O 3.23Å; S333-Q339 CarbonylContact C-O 3.57Å; S333-Q339 WeakPolarHBondContact CA-O 3.32Å; S333-I347 VanDerWaalsContact O-CD1 3.23Å; S333-I347 WeakPolarHBondContact O-CD1 3.22Å
334	C	84.3	Confident	68.2	Low	2 Å²	2	92.9 Å²	92.9	1%	0.014	54%	0.542	C	S	.	.			trans	-85	110.5	176.8	-170.6	0	0	0	0	110.9	L336 C337 G338 Q339 F341 I347 C351	C334-L336 PolarHBondContact O-N 3.42Å; C334-C337 PolarHBondContact O-N 3.45Å; C334-G338 PolarHBondContact O-N 3.38Å; C334-Q339 WeakPolarHBondContact CB-O 3Å; C334-Q339 PolarHBondContact N-O 3.2Å; C334-F341 HydrophobicContact CB-CE2 4.13Å; C334-I347 HydrophobicContact CB-CD1 4.4Å; C334-I347 HydrophobicContact CB-CG1 4.35Å; C334-C351 PolarHBondContact SG-SG 3.46Å
335	C	79.1	Confident	70.8	Confident	131 Å²	131	96 Å²	96	89%	0.885	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	2.4	179.2	-39.9	0	0	0	0	115.3	S333	S333-C335 PolarHBondContact O-N 3.04Å
336	L	77	Confident	72.9	Confident	64 Å²	64	92.9 Å²	92.9	34%	0.335	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-8.8	178	-61.7	177.9	0	0	0	113.5	C334 H355	C334-L336 PolarHBondContact O-N 3.42Å; L336-H355 HydrophobicContact CD1-CB 3.7Å
337	C	81.4	Confident	75.4	Confident	55 Å²	55	90.8 Å²	90.8	37%	0.372	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	11.2	179.3	67.6	0	0	0	0	115.6	C334 Q339 H350 H355	C334-C337 PolarHBondContact O-N 3.45Å; C337-Q339 PolarHBondContact O-N 2.93Å; C337-H350 VanDerWaalsContact SG-CE1 3.59Å; C337-H350 PolarHBondContact SG-NE2 3.34Å; C337-H355 PolarHBondContact SG-NE2 3.41Å
338	G	77.1	Confident	77.3	Confident	55 Å²	55	90.6 Å²	90.6	57%	0.567	48%	0.478	S	S	*	.			trans	77.6	-42.6	-178.7	0	0	0	0	0	115	S333 C334 D340	S333-G338 WeakPolarHBondContact CB-O 3.23Å; C334-G338 PolarHBondContact O-N 3.38Å; G338-D340 PolarHBondContact O-N 3.11Å
339	Q	83.2	Confident	79.2	Confident	117 Å²	117	91.9 Å²	91.9	55%	0.547	48%	0.475	S	S	.	.			trans	-38	125.7	-172.8	-68	-71.2	-47.2	0	0	114.5	S333 C334 C337 F341	S333-Q339 CarbonylContact C-O 3.57Å; S333-Q339 WeakPolarHBondContact CA-O 3.32Å; C334-Q339 WeakPolarHBondContact CB-O 3Å; C334-Q339 PolarHBondContact N-O 3.2Å; C337-Q339 PolarHBondContact O-N 2.93Å; Q339-F341 HydrophobicContact CB-CE2 3.87Å; Q339-F341 HydrophobicContact CB-CZ 4.03Å; Q339-F341 VanDerWaalsContact O-CD2 3.3Å; Q339-F341 WeakPolarHBondContact O-CD2 3.18Å; Q339-F341 WeakPolarHBondContact O-CE2 3.4Å
340	D	82.6	Confident	80.8	Confident	97 Å²	97	87.2 Å²	87.2	52%	0.519	45%	0.449	S	S	.	.			trans	-91.4	153.4	-174.9	77.7	-67.8	0	0	0	113.4	G338	G338-D340 PolarHBondContact O-N 3.11Å
341	F	87.9	Confident	81.5	Confident	36 Å²	36	82.8 Å²	82.8	16%	0.158	42%	0.423	C	S	.	.			trans	-147.9	115.4	-175.2	-64.3	-75.5	0	0	0	112	I332 C334 Q339 S343 I347 H350	I332-F341 PolarHBondContact N-O 3.16Å; I332-F341 WeakPolarHBondContact O-CB 3.48Å; I332-F341 PolarHBondContact O-N 2.8Å; C334-F341 HydrophobicContact CB-CE2 4.13Å; Q339-F341 HydrophobicContact CB-CE2 3.87Å; Q339-F341 HydrophobicContact CB-CZ 4.03Å; Q339-F341 VanDerWaalsContact O-CD2 3.3Å; Q339-F341 WeakPolarHBondContact O-CD2 3.18Å; Q339-F341 WeakPolarHBondContact O-CE2 3.4Å; F341-S343 PolarHBondContact O-N 2.05Å; F341-I347 HydrophobicContact CB-CB 3.95Å; F341-I347 HydrophobicContact CD2-CB 3.61Å; F341-I347 HydrophobicContact CD2-CG1 3.91Å; F341-I347 HydrophobicContact CE2-CB 4.43Å; F341-I347 HydrophobicContact CE2-CG1 4.44Å; F341-I347 HydrophobicContact CG-CB 3.91Å; F341-H350 HydrophobicContact CE1-CB 4Å; F341-H350 HydrophobicContact CE2-CB 3.95Å; F341-H350 AromaticContact CE2-CD2 3.63Å; F341-H350 AromaticContact CE2-CG 3.62Å; F341-H350 HydrophobicContact CZ-CB 3.52Å; F341-H350 AromaticContact CZ-CD2 3.78Å; F341-H350 AromaticContact CZ-CG 3.29Å; F341-H350 AromaticContact CZ-ND1 3.5Å; F341-H350 WeakPolarHBondContact CZ-ND1 3.34Å
342	N	82.8	Confident	81.8	Confident	110 Å²	110	87.1 Å²	87.1	59%	0.588	43%	0.43	S	S	*	.	S	Bend	trans	-56.6	7.2	168.6	66.4	8.2	0	0	0	116
343	S	80.6	Confident	82	Confident	49 Å²	49	92.6 Å²	92.6	34%	0.343	45%	0.453	S	S	.	.	S	Bend	trans	-153.4	136.1	173.8	-165.5	0	0	0	0	113.6	F341 R345 S346 I347	F341-S343 PolarHBondContact O-N 2.05Å; S343-R345 PolarHBondContact O-N 2.91Å; S343-R345 PolarHBondContact OG-N 3.33Å; S343-S346 WeakPolarHBondContact CB-OG 3.29Å; S343-S346 PolarHBondContact N-OG 3.03Å; S343-S346 PolarHBondContact O-N 3.1Å; S343-S346 PolarHBondContact O-OG 2.97Å; S343-I347 PolarHBondContact O-N 3.15Å
344	R	73.4	Confident	81.7	Confident	175 Å²	175	94.4 Å²	94.4	66%	0.66	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	7.2	167.2	-142.9	168.3	-171.9	135.1	2.5	113.8	I332 R348	I332-R344 HydrophobicContact CD1-CB 3.62Å; I332-R344 HydrophobicContact CD1-CG 3.69Å; R344-R348 VanDerWaalsContact O-CZ 3.23Å; R344-R348 PolarHBondContact O-NE 3.48Å; R344-R348 PolarHBondContact O-NH2 2.82Å
345	R	81.3	Confident	81.4	Confident	205 Å²	205	95.5 Å²	95.5	77%	0.774	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-37	167.4	-69.5	-176.6	-176.2	159.4	5.3	113.2	S343 R348 R349	S343-R345 PolarHBondContact O-N 2.91Å; S343-R345 PolarHBondContact OG-N 3.33Å; R345-R348 PolarHBondContact O-N 2.85Å; R345-R349 PolarHBondContact O-N 2.79Å
346	S	83.9	Confident	81.5	Confident	37 Å²	37	94.1 Å²	94.1	26%	0.259	44%	0.44	S	S	.	.	H	α-helix	trans	-66.1	-51.6	176.4	31.2	0	0	0	0	110.3	S343 R348 R349 H350	S343-S346 WeakPolarHBondContact CB-OG 3.29Å; S343-S346 PolarHBondContact N-OG 3.03Å; S343-S346 PolarHBondContact O-N 3.1Å; S343-S346 PolarHBondContact O-OG 2.97Å; S346-R348 VanDerWaalsContact C-N 3.31Å; S346-R348 PolarHBondContact O-N 2.97Å; S346-R349 CarbonylContact O-C 3.37Å; S346-R349 WeakPolarHBondContact O-CA 3.41Å; S346-R349 WeakPolarHBondContact O-CB 3.06Å; S346-R349 PolarHBondContact O-N 3.46Å; S346-H350 WeakPolarHBondContact O-CB 2.98Å; S346-H350 PolarHBondContact O-N 3.22Å
347	I	84.6	Confident	81.4	Confident	19 Å²	19	96.6 Å²	96.6	10%	0.097	46%	0.458	C	S	.	.	H	α-helix	trans	-52.1	-46	173	-173.4	177.4	0	0	0	112.5	I332 S333 C334 F341 S343 R349 H350 C351	I332-I347 HydrophobicContact CB-CD1 4.49Å; I332-I347 HydrophobicContact CG2-CD1 3.78Å; I332-I347 HydrophobicContact CG2-CG2 4.38Å; S333-I347 VanDerWaalsContact O-CD1 3.23Å; S333-I347 WeakPolarHBondContact O-CD1 3.22Å; C334-I347 HydrophobicContact CB-CD1 4.4Å; C334-I347 HydrophobicContact CB-CG1 4.35Å; F341-I347 HydrophobicContact CB-CB 3.95Å; F341-I347 HydrophobicContact CD2-CB 3.61Å; F341-I347 HydrophobicContact CD2-CG1 3.91Å; F341-I347 HydrophobicContact CE2-CB 4.43Å; F341-I347 HydrophobicContact CE2-CG1 4.44Å; F341-I347 HydrophobicContact CG-CB 3.91Å; S343-I347 PolarHBondContact O-N 3.15Å; I347-R349 VanDerWaalsContact C-N 3.28Å; I347-R349 PolarHBondContact O-N 3.1Å; I347-H350 WeakPolarHBondContact O-CB 3.45Å; I347-H350 PolarHBondContact O-N 3.23Å; I347-H350 VanDerWaalsContact O-N 3.16Å; I347-C351 PolarHBondContact O-N 2.95Å; I347-C351 PolarHBondContact O-SG 3.09Å
348	R	80.7	Confident	80.6	Confident	146 Å²	146	99.4 Å²	99.4	55%	0.551	46%	0.464	S	S	*	.	H	α-helix	trans	-70	-20.9	180	-86.5	-171.8	-66.6	-179.8	-4.7	114.1	R344 R345 S346 R352	R344-R348 VanDerWaalsContact O-CZ 3.23Å; R344-R348 PolarHBondContact O-NE 3.48Å; R344-R348 PolarHBondContact O-NH2 2.82Å; R345-R348 PolarHBondContact O-N 2.85Å; S346-R348 VanDerWaalsContact C-N 3.31Å; S346-R348 PolarHBondContact O-N 2.97Å; R348-R352 WeakPolarHBondContact O-CB 3.12Å; R348-R352 VanDerWaalsContact O-CD 3.29Å; R348-R352 WeakPolarHBondContact O-CD 3.27Å; R348-R352 VanDerWaalsContact O-CG 3.22Å; R348-R352 WeakPolarHBondContact O-CG 3.37Å
349	R	85.8	Confident	80.5	Confident	197 Å²	197	99.5 Å²	99.5	74%	0.743	45%	0.451	S	S	*	.	H	α-helix	trans	-81.2	-41	169	169.2	174.6	156.7	146.6	-7.3	110.6	R345 S346 I347 R352 K353	R345-R349 PolarHBondContact O-N 2.79Å; S346-R349 CarbonylContact O-C 3.37Å; S346-R349 WeakPolarHBondContact O-CA 3.41Å; S346-R349 WeakPolarHBondContact O-CB 3.06Å; S346-R349 PolarHBondContact O-N 3.46Å; I347-R349 VanDerWaalsContact C-N 3.28Å; I347-R349 PolarHBondContact O-N 3.1Å; R349-R352 PolarHBondContact O-N 3.39Å; R349-K353 PolarHBondContact O-N 3.05Å; R349-K353 VanDerWaalsContact O-N 3.15Å
350	H	86.3	Confident	79.9	Confident	29 Å²	29	97.1 Å²	97.1	13%	0.134	44%	0.44	C	S	.	.	H	α-helix	trans	-59.5	-56.5	175.6	164.6	86.4	0	0	0	111.5	C337 F341 S346 I347 R352 K353 M354 H355	C337-H350 VanDerWaalsContact SG-CE1 3.59Å; C337-H350 PolarHBondContact SG-NE2 3.34Å; F341-H350 HydrophobicContact CE1-CB 4Å; F341-H350 HydrophobicContact CE2-CB 3.95Å; F341-H350 AromaticContact CE2-CD2 3.63Å; F341-H350 AromaticContact CE2-CG 3.62Å; F341-H350 HydrophobicContact CZ-CB 3.52Å; F341-H350 AromaticContact CZ-CD2 3.78Å; F341-H350 AromaticContact CZ-CG 3.29Å; F341-H350 AromaticContact CZ-ND1 3.5Å; F341-H350 WeakPolarHBondContact CZ-ND1 3.34Å; S346-H350 WeakPolarHBondContact O-CB 2.98Å; S346-H350 PolarHBondContact O-N 3.22Å; I347-H350 WeakPolarHBondContact O-CB 3.45Å; I347-H350 PolarHBondContact O-N 3.23Å; I347-H350 VanDerWaalsContact O-N 3.16Å; H350-R352 PolarHBondContact O-N 3.44Å; H350-R352 VanDerWaalsContact O-N 3.09Å; H350-K353 PolarHBondContact O-N 2.76Å; H350-M354 PolarHBondContact O-N 3.2Å; H350-H355 AromaticContact NE2-CD2 3.66Å; H350-H355 AromaticContact NE2-NE2 3.27Å; H350-H355 PolarHBondContact NE2-NE2 3.24Å
351	C	81.2	Confident	79	Confident	22 Å²	22	97.3 Å²	97.3	15%	0.149	44%	0.438	C	S	.	.	H	α-helix	trans	-57.6	-31.8	179	-56	0	0	0	0	112.8	C334 I347 H355 Q356	C334-C351 PolarHBondContact SG-SG 3.46Å; I347-C351 PolarHBondContact O-N 2.95Å; I347-C351 PolarHBondContact O-SG 3.09Å; C351-H355 CarbonylContact O-C 3.48Å; C351-H355 WeakPolarHBondContact O-CA 3.4Å; C351-H355 WeakPolarHBondContact O-CB 3.49Å; C351-H355 PolarHBondContact O-N 3.06Å; C351-Q356 PolarHBondContact O-N 3.33Å
352	R	82.7	Confident	77.6	Confident	176 Å²	176	99.9 Å²	99.9	66%	0.664	45%	0.453	S	S	*	.	H	α-helix	trans	-82.4	-6.6	177.6	-73.6	-179.4	177.2	-145.8	-5.2	114.8	R348 R349 H350 Q356 L359	R348-R352 WeakPolarHBondContact O-CB 3.12Å; R348-R352 VanDerWaalsContact O-CD 3.29Å; R348-R352 WeakPolarHBondContact O-CD 3.27Å; R348-R352 VanDerWaalsContact O-CG 3.22Å; R348-R352 WeakPolarHBondContact O-CG 3.37Å; R349-R352 PolarHBondContact O-N 3.39Å; H350-R352 PolarHBondContact O-N 3.44Å; H350-R352 VanDerWaalsContact O-N 3.09Å; R352-Q356 PolarHBondContact O-OE1 3.4Å; R352-L359 HydrophobicContact CG-CD2 4.49Å
353	K	82.9	Confident	76.8	Confident	154 Å²	154	99.8 Å²	99.8	67%	0.67	44%	0.444	S	S	*	.	H	α-helix	trans	-116.2	-39.4	177.8	-159	-158.3	173.7	-151.2	0	112.3	R349 H350	R349-K353 PolarHBondContact O-N 3.05Å; R349-K353 VanDerWaalsContact O-N 3.15Å; H350-K353 PolarHBondContact O-N 2.76Å
354	M	76.5	Confident	75.7	Confident	107 Å²	107	104.2 Å²	104.2	53%	0.527	46%	0.457	S	S	.	.	H	α-helix	trans	-97.5	-23.5	-176.3	-51.1	-72.2	70.7	0	0	113.1	H350	H350-M354 PolarHBondContact O-N 3.2Å
355	H	79.3	Confident	74.2	Confident	25 Å²	25	101.9 Å²	101.9	12%	0.116	45%	0.452	C	S	.	.	S	Bend	trans	-123	23.9	178.6	-53.3	-47.1	0	0	0	112.2	L336 C337 H350 C351 T357 K358 L359	L336-H355 HydrophobicContact CD1-CB 3.7Å; C337-H355 PolarHBondContact SG-NE2 3.41Å; H350-H355 AromaticContact NE2-CD2 3.66Å; H350-H355 AromaticContact NE2-NE2 3.27Å; H350-H355 PolarHBondContact NE2-NE2 3.24Å; C351-H355 CarbonylContact O-C 3.48Å; C351-H355 WeakPolarHBondContact O-CA 3.4Å; C351-H355 WeakPolarHBondContact O-CB 3.49Å; C351-H355 PolarHBondContact O-N 3.06Å; H355-T357 VanDerWaalsContact C-N 3.33Å; H355-T357 PolarHBondContact O-N 3.48Å; H355-K358 PolarHBondContact O-N 2.81Å; H355-L359 WeakPolarHBondContact O-CB 3.48Å; H355-L359 PolarHBondContact O-N 2.83Å
356	Q	79.7	Confident	73	Confident	102 Å²	102	97.6 Å²	97.6	48%	0.477	45%	0.449	S	S	.	.	H	α-helix	trans	-59.4	-45.2	-172.7	-160.8	-167	-46.7	0	0	111.6	C351 R352 L359 E360	C351-Q356 PolarHBondContact O-N 3.33Å; R352-Q356 PolarHBondContact O-OE1 3.4Å; Q356-L359 CarbonylContact O-C 3.32Å; Q356-L359 PolarHBondContact O-N 2.98Å; Q356-E360 WeakPolarHBondContact CG-OE2 3.41Å; Q356-E360 PolarHBondContact NE2-OE2 3.2Å; Q356-E360 WeakPolarHBondContact O-CB 3.48Å; Q356-E360 PolarHBondContact O-N 3.16Å
357	T	75.9	Confident	71.3	Confident	115 Å²	115	103 Å²	103	71%	0.706	47%	0.47	S	S	*	.	H	α-helix	trans	-56.5	-57.2	174.8	47	0	0	0	0	111.4	H355 L359 E360 E361	H355-T357 VanDerWaalsContact C-N 3.33Å; H355-T357 PolarHBondContact O-N 3.48Å; T357-L359 PolarHBondContact O-N 3.24Å; T357-L359 VanDerWaalsContact O-N 3.16Å; T357-E360 CarbonylContact O-C 3.49Å; T357-E360 WeakPolarHBondContact O-CB 3.46Å; T357-E360 PolarHBondContact O-N 3.31Å; T357-E361 VanDerWaalsContact O-CB 3.28Å; T357-E361 WeakPolarHBondContact O-CB 3.42Å; T357-E361 PolarHBondContact O-N 2.77Å
358	K	65.2	Low	69.4	Low	115 Å²	115	107.2 Å²	107.2	50%	0.5	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-28.1	178.9	-144.9	166.6	-171.3	171.9	0	112.7	H355 L362	H355-K358 PolarHBondContact O-N 2.81Å; K358-L362 VanDerWaalsContact O-CB 3.25Å; K358-L362 WeakPolarHBondContact O-CB 3.38Å; K358-L362 WeakPolarHBondContact O-CD1 3.47Å; K358-L362 WeakPolarHBondContact O-CG 3.32Å; K358-L362 PolarHBondContact O-N 2.82Å
359	L	72.9	Confident	67.4	Low	57 Å²	57	110.2 Å²	110.2	30%	0.298	51%	0.508	S	S	.	.	H	α-helix	trans	-87.4	-20.9	176.9	-157	82.3	0	0	0	113.9	R352 H355 Q356 T357 R363	R352-L359 HydrophobicContact CG-CD2 4.49Å; H355-L359 WeakPolarHBondContact O-CB 3.48Å; H355-L359 PolarHBondContact O-N 2.83Å; Q356-L359 CarbonylContact O-C 3.32Å; Q356-L359 PolarHBondContact O-N 2.98Å; T357-L359 PolarHBondContact O-N 3.24Å; T357-L359 VanDerWaalsContact O-N 3.16Å; L359-R363 WeakPolarHBondContact O-CB 3.48Å; L359-R363 PolarHBondContact O-NH2 2.84Å
360	E	72.1	Confident	65.6	Low	67 Å²	67	107.6 Å²	107.6	31%	0.313	51%	0.514	S	S	.	.	H	α-helix	trans	-77.9	-40.6	165.8	-115.5	82	-92.7	0	0	109.9	Q356 T357 R363 K364	Q356-E360 WeakPolarHBondContact CG-OE2 3.41Å; Q356-E360 PolarHBondContact NE2-OE2 3.2Å; Q356-E360 WeakPolarHBondContact O-CB 3.48Å; Q356-E360 PolarHBondContact O-N 3.16Å; T357-E360 CarbonylContact O-C 3.49Å; T357-E360 WeakPolarHBondContact O-CB 3.46Å; T357-E360 PolarHBondContact O-N 3.31Å; E360-R363 WeakPolarHBondContact O-CB 3.39Å; E360-R363 PolarHBondContact O-N 3.37Å; E360-R363 IonicContact OE1-CZ 3.2Å; E360-R363 IonicContact OE1-NH1 2.79Å; E360-R363 PolarHBondContact OE1-NH1 2.81Å; E360-R363 IonicContact OE1-NH2 2.73Å; E360-R363 PolarHBondContact OE1-NH2 2.66Å; E360-K364 WeakPolarHBondContact O-CG 3.19Å; E360-K364 PolarHBondContact O-N 3.33Å
361	E	63.8	Low	64	Low	101 Å²	101	111.5 Å²	111.5	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-54.4	176.4	178.6	176.3	-144.7	0	0	111.7	T357 R363 K364 F365	T357-E361 VanDerWaalsContact O-CB 3.28Å; T357-E361 WeakPolarHBondContact O-CB 3.42Å; T357-E361 PolarHBondContact O-N 2.77Å; E361-R363 PolarHBondContact O-N 2.92Å; E361-R363 VanDerWaalsContact O-N 3.11Å; E361-K364 WeakPolarHBondContact O-CB 3.5Å; E361-K364 PolarHBondContact O-N 3.12Å; E361-F365 HydrophobicContact CG-CD2 3.85Å; E361-F365 HydrophobicContact CG-CE2 3.82Å; E361-F365 WeakPolarHBondContact O-CD2 3.3Å; E361-F365 PolarHBondContact O-N 3.27Å
362	L	57.2	Low	61.9	Low	89 Å²	89	115.4 Å²	115.4	47%	0.466	57%	0.565	S	S	.	*	H	α-helix	trans	-52.4	-34.7	171.2	-81.3	165.8	0	0	0	112	K358 T366	K358-L362 VanDerWaalsContact O-CB 3.25Å; K358-L362 WeakPolarHBondContact O-CB 3.38Å; K358-L362 WeakPolarHBondContact O-CD1 3.47Å; K358-L362 WeakPolarHBondContact O-CG 3.32Å; K358-L362 PolarHBondContact O-N 2.82Å; L362-T366 WeakPolarHBondContact O-CG2 3.49Å; L362-T366 PolarHBondContact O-N 3.1Å; L362-T366 PolarHBondContact O-OG1 3.45Å
363	R	65.9	Low	60.2	Low	108 Å²	108	112.4 Å²	112.4	41%	0.408	57%	0.567	S	S	.	*	H	α-helix	trans	-69.5	-49.4	176.9	-161.9	179.8	-46.6	129.4	27.3	111.5	L359 E360 E361 F365 T366 E367	L359-R363 WeakPolarHBondContact O-CB 3.48Å; L359-R363 PolarHBondContact O-NH2 2.84Å; E360-R363 WeakPolarHBondContact O-CB 3.39Å; E360-R363 PolarHBondContact O-N 3.37Å; E360-R363 IonicContact OE1-CZ 3.2Å; E360-R363 IonicContact OE1-NH1 2.79Å; E360-R363 PolarHBondContact OE1-NH1 2.81Å; E360-R363 IonicContact OE1-NH2 2.73Å; E360-R363 PolarHBondContact OE1-NH2 2.66Å; E361-R363 PolarHBondContact O-N 2.92Å; E361-R363 VanDerWaalsContact O-N 3.11Å; R363-F365 VanDerWaalsContact C-N 3.29Å; R363-F365 PolarHBondContact O-N 2.83Å; R363-T366 WeakPolarHBondContact CA-OG1 3.42Å; R363-T366 CarbonylContact O-C 3.36Å; R363-T366 PolarHBondContact O-N 3.25Å; R363-T366 VanDerWaalsContact O-N 3.08Å; R363-T366 PolarHBondContact O-OG1 3.08Å; R363-E367 WeakPolarHBondContact O-CB 3.25Å; R363-E367 PolarHBondContact O-N 3.04Å
364	K	58.7	Low	58.1	Low	143 Å²	143	108.8 Å²	108.8	62%	0.622	56%	0.56	S	S	*	*	H	α-helix	trans	-55	-43.4	173.1	-73.2	179.9	176.1	-173.5	0	111.5	E360 E361 E367 T368	E360-K364 WeakPolarHBondContact O-CG 3.19Å; E360-K364 PolarHBondContact O-N 3.33Å; E361-K364 WeakPolarHBondContact O-CB 3.5Å; E361-K364 PolarHBondContact O-N 3.12Å; K364-E367 PolarHBondContact O-N 2.88Å; K364-E367 VanDerWaalsContact O-N 3.14Å; K364-T368 WeakPolarHBondContact O-CG2 3.45Å; K364-T368 PolarHBondContact O-N 3.39Å; K364-T368 VanDerWaalsContact O-N 3.07Å; K364-T368 PolarHBondContact O-OG1 2.83Å
365	F	42.4	Very low	56.4	Low	125 Å²	125	111.7 Å²	111.7	55%	0.548	58%	0.577	S	S	.	*	H	α-helix	trans	-64.7	-37.8	175.4	-85.7	-74.8	0	0	0	113.2	E361 R363 E367	E361-F365 HydrophobicContact CG-CD2 3.85Å; E361-F365 HydrophobicContact CG-CE2 3.82Å; E361-F365 WeakPolarHBondContact O-CD2 3.3Å; E361-F365 PolarHBondContact O-N 3.27Å; R363-F365 VanDerWaalsContact C-N 3.29Å; R363-F365 PolarHBondContact O-N 2.83Å; F365-E367 PolarHBondContact O-N 3.49Å
366	T	55.4	Low	54.6	Low	115 Å²	115	117.9 Å²	117.9	71%	0.706	61%	0.61	S	S	*	*	H	α-helix	trans	-73.5	-11.9	172.5	55.3	0	0	0	0	114.6	L362 R363	L362-T366 WeakPolarHBondContact O-CG2 3.49Å; L362-T366 PolarHBondContact O-N 3.1Å; L362-T366 PolarHBondContact O-OG1 3.45Å; R363-T366 WeakPolarHBondContact CA-OG1 3.42Å; R363-T366 CarbonylContact O-C 3.36Å; R363-T366 PolarHBondContact O-N 3.25Å; R363-T366 VanDerWaalsContact O-N 3.08Å; R363-T366 PolarHBondContact O-OG1 3.08Å
367	E	47.1	Very low	52.5	Low	151 Å²	151	117.3 Å²	117.3	71%	0.706	62%	0.618	S	S	*	*	H	α-helix	trans	-108	-12.8	-172.3	-165.8	154.4	-143.7	0	0	112.6	R363 K364 F365	R363-E367 WeakPolarHBondContact O-CB 3.25Å; R363-E367 PolarHBondContact O-N 3.04Å; K364-E367 PolarHBondContact O-N 2.88Å; K364-E367 VanDerWaalsContact O-N 3.14Å; F365-E367 PolarHBondContact O-N 3.49Å
368	T	45.8	Very low	50.5	Low	108 Å²	108	120.7 Å²	120.7	66%	0.663	63%	0.628	S	S	*	*	H	α-helix	trans	-118.3	-3.4	-176.2	60.6	0	0	0	0	116.4	K364	K364-T368 WeakPolarHBondContact O-CG2 3.45Å; K364-T368 PolarHBondContact O-N 3.39Å; K364-T368 VanDerWaalsContact O-N 3.07Å; K364-T368 PolarHBondContact O-OG1 2.83Å
369	R	38.7	Very low	48.9	Very low	208 Å²	208	120.8 Å²	120.8	79%	0.785	64%	0.638	S	S	*	*	S	Bend	trans	-134.1	133.4	174.4	-75	-171.1	170.2	161.3	-1	114.1	V371	R369-V371 PolarHBondContact O-N 2.89Å; R369-V371 VanDerWaalsContact O-N 3.1Å
370	T	48.6	Very low	47	Very low	142 Å²	142	127.9 Å²	127.9	87%	0.871	67%	0.666	S	S	*	*			trans	-75	93.6	176.2	45.2	0	0	0	0	111.8
371	V	51.7	Low	45.1	Very low	112 Å²	112	128.5 Å²	128.5	68%	0.679	69%	0.691	S	S	*	*			trans	55.7	123	148.1	-161.2	0	0	0	0	117.4	R369	R369-V371 PolarHBondContact O-N 2.89Å; R369-V371 VanDerWaalsContact O-N 3.1Å
372	P	38.3	Very low	43.5	Very low	104 Å²	104	133 Å²	133	68%	0.675	70%	0.704	S	S	*	*				-130.2	136.3	114.9	26.8	-13.9	0	0	0	112.9	S374	P372-S374 PolarHBondContact O-N 3.31Å
373	T	45.9	Very low	43	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.693	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-77.4	30.5	174.9	-33.6	0	0	0	0	112.3
374	S	40	Very low	41.6	Very low	77 Å²	77	138.1 Å²	138.1	54%	0.538	73%	0.731	S	S	.	*	G	3₁₀ helix	trans	-85.9	-26.6	-172.3	52.2	0	0	0	0	114	P372 L376	P372-S374 PolarHBondContact O-N 3.31Å; S374-L376 PolarHBondContact O-N 3.38Å
375	L	39.6	Very low	40.2	Very low	169 Å²	169	137 Å²	137	89%	0.885	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-74.6	14.3	174.4	-62.7	-179.1	0	0	0	113.8
376	L	42.3	Very low	39.6	Very low	154 Å²	154	139 Å²	139	81%	0.806	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-139.9	38.2	179.4	-81.8	175.8	0	0	0	113.3	S374	S374-L376 PolarHBondContact O-N 3.38Å
377	S	35.3	Very low	38.6	Very low	90 Å²	90	138.9 Å²	138.9	63%	0.629	76%	0.756	S	S	*	*			trans	-154.4	87.6	167	65.9	0	0	0	0	116.5
378	M	34.2	Very low	38.2	Very low	186 Å²	186	139.6 Å²	139.6	92%	0.916	76%	0.762	S	S	*	*			trans	-162.6	130.8	143.6	-72.9	-148.7	89.9	0	0	104.7
379	V	30.9	Very low	38.1	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.715	75%	0.752	S	S	*	*	S	Bend	cis	-144.3	149.7	10.3	178.4	0	0	0	0	106
380	K	33.7	Very low	39.1	Very low	205 Å²	205	134.3 Å²	134.3	89%	0.891	75%	0.754	S	S	*	*	S	Bend	cis	-145	158.8	8.1	-136.7	157	-175.3	173	0	108.9
381	G	30.9	Very low	39.8	Very low	81 Å²	81	129.6 Å²	129.6	84%	0.835	73%	0.734	S	S	*	*			trans	115.5	116	162.3	0	0	0	0	0	116.8
382	R	31.7	Very low	41	Very low	196 Å²	196	129.8 Å²	129.8	74%	0.74	73%	0.725	S	S	*	*			trans	-139.8	167.6	170.6	-119.9	-151.7	172.5	167.4	4	107.1
383	P	46.9	Very low	43.3	Very low	115 Å²	115	125.7 Å²	125.7	75%	0.747	70%	0.699	S	S	*	*			cis	-131.8	176.8	26.2	39.2	-20.6	0	0	0	118.1
384	R	34.7	Very low	45.2	Very low	188 Å²	188	120.3 Å²	120.3	71%	0.709	67%	0.666	S	S	*	*			trans	-17.1	151.6	160.9	-55.8	165.3	163.8	145.5	-10.2	116.3
385	T	30	Very low	47.1	Very low	121 Å²	121	121 Å²	121	74%	0.742	67%	0.668	S	S	*	*				-160	-176.4	54.3	46.7	0	0	0	0	113.8
386	L	30.9	Very low	49.1	Very low	165 Å²	165	117.1 Å²	117.1	86%	0.864	65%	0.652	S	S	*	*			trans	87.4	134.7	164.3	-53.5	-177.3	0	0	0	119.7
387	S	33.9	Very low	51.2	Low	113 Å²	113	111.7 Å²	111.7	79%	0.79	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.7	137.5	-165.2	-49.1	0	0	0	0	116.8	P389	S387-P389 WeakPolarHBondContact O-CD 3.42Å
388	M	38.3	Very low	53.4	Low	167 Å²	167	112.5 Å²	112.5	82%	0.823	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-74.6	123.3	171.4	-72.3	-142.2	76.1	0	0	112.7
389	P	44	Very low	55.5	Low	70 Å²	70	109.7 Å²	109.7	46%	0.455	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-73.4	149	171.6	-14.2	30	0	0	0	112.3	S387 G391	S387-P389 WeakPolarHBondContact O-CD 3.42Å; P389-G391 PolarHBondContact O-N 3.24Å
390	T	59.5	Low	58	Low	134 Å²	134	109.3 Å²	109.3	82%	0.822	60%	0.604	S	S	*	*			trans	-72.5	88.8	-164.7	44.1	0	0	0	0	115.3	K392	T390-K392 PolarHBondContact O-N 2.93Å
391	G	62.9	Low	60.5	Low	44 Å²	44	102.1 Å²	102.1	45%	0.454	57%	0.573	S	S	.	*	S	Bend	trans	64.4	-2.4	152.5	0	0	0	0	0	118.6	P389	P389-G391 PolarHBondContact O-N 3.24Å
392	K	78.1	Confident	63	Low	116 Å²	116	102.2 Å²	102.2	50%	0.504	57%	0.566	S	S	.	*	S	Bend	trans	-121.1	-9.1	-175	-76.4	178.9	-178.2	171.2	0	113.3	T390 T400 F401 V407	T390-K392 PolarHBondContact O-N 2.93Å; K392-T400 HydrophobicContact CB-CG2 4.09Å; K392-F401 WeakPolarHBondContact CB-O 3.42Å; K392-F401 PolarHBondContact O-N 3.44Å; K392-V407 WeakPolarHBondContact O-CG2 3.17Å
393	S	85.1	Confident	65.5	Low	17 Å²	17	96 Å²	96	12%	0.119	55%	0.55	C	S	.	.	B	Isolated β-bridge	trans	-91.4	155.2	173.5	50.4	0	0	0	0	112.5	L398 K399 V407	S393-L398 VanDerWaalsContact CB-O 3.27Å; S393-L398 WeakPolarHBondContact CB-O 3.35Å; S393-K399 CarbonylContact C-O 3.46Å; S393-K399 WeakPolarHBondContact CA-O 3.43Å; S393-V407 VanDerWaalsContact O-CG1 3.26Å; S393-V407 WeakPolarHBondContact O-CG1 3.24Å
394	C	87.5	Confident	67.3	Low	0 Å²	0	97.2 Å²	97.2	0%	0	54%	0.543	C	S	.	.			trans	-75.6	130.6	168.2	-173.1	0	0	0	0	110.6	V396 L398 K399 F401 H415	C394-V396 PolarHBondContact O-N 2.94Å; C394-L398 WeakPolarHBondContact O-CA 3.47Å; C394-L398 PolarHBondContact O-N 3.34Å; C394-K399 PolarHBondContact N-O 3.1Å; C394-F401 HydrophobicContact CB-CE2 4.28Å; C394-H415 VanDerWaalsContact SG-CD2 3.59Å
395	P	79.1	Confident	69.7	Low	91 Å²	91	91 Å²	91	59%	0.591	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.1	-178.4	27.4	-35.2	0	0	0	114.6	F411	P395-F411 HydrophobicContact CG-CD2 4.37Å; P395-F411 HydrophobicContact CG-CE2 4.45Å
396	V	81.6	Confident	72.4	Confident	88 Å²	88	88 Å²	88	53%	0.533	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-32.3	-175.5	-175.5	0	0	0	0	113.2	C394 F411 H415	C394-V396 PolarHBondContact O-N 2.94Å; V396-F411 HydrophobicContact CG2-CD2 4.04Å; V396-F411 HydrophobicContact CG2-CE2 3.63Å; V396-H415 WeakPolarHBondContact CG1-ND1 3.4Å
397	C	85.8	Confident	75.3	Confident	41 Å²	41	80.7 Å²	80.7	28%	0.277	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	10	178.6	69.8	0	0	0	0	114.4	K399 H410 H415	C397-K399 PolarHBondContact O-N 3.44Å; C397-H410 PolarHBondContact SG-NE2 3.25Å; C397-H415 PolarHBondContact SG-NE2 3.08Å
398	L	81.7	Confident	77.6	Confident	107 Å²	107	82.6 Å²	82.6	56%	0.56	46%	0.464	S	S	*	.			trans	56.7	-2.5	177.4	-57.8	179.1	0	0	0	117.3	S393 C394 T400	S393-L398 VanDerWaalsContact CB-O 3.27Å; S393-L398 WeakPolarHBondContact CB-O 3.35Å; C394-L398 WeakPolarHBondContact O-CA 3.47Å; C394-L398 PolarHBondContact O-N 3.34Å; L398-T400 PolarHBondContact O-N 2.94Å
399	K	77.6	Confident	80	Confident	126 Å²	126	80.6 Å²	80.6	55%	0.548	45%	0.447	S	S	.	.			trans	-52.7	127.1	176.8	-67.3	176.2	-171.3	174.8	0	111.4	S393 C394 C397 F401	S393-K399 CarbonylContact C-O 3.46Å; S393-K399 WeakPolarHBondContact CA-O 3.43Å; C394-K399 PolarHBondContact N-O 3.1Å; C397-K399 PolarHBondContact O-N 3.44Å; K399-F401 HydrophobicContact CB-CE2 3.75Å; K399-F401 HydrophobicContact CB-CZ 4Å; K399-F401 WeakPolarHBondContact O-CD2 3.39Å; K399-F401 WeakPolarHBondContact O-CE2 3.37Å
400	T	85.1	Confident	82.1	Confident	110 Å²	110	78.4 Å²	78.4	68%	0.675	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-90.4	135.1	-176.1	-46.9	0	0	0	0	111.7	K392 L398	K392-T400 HydrophobicContact CB-CG2 4.09Å; L398-T400 PolarHBondContact O-N 2.94Å
401	F	86.4	Confident	83.4	Confident	54 Å²	54	74.8 Å²	74.8	24%	0.237	40%	0.404	C	S	.	.			trans	-128.4	145.1	-178.3	-61.2	-88.7	0	0	0	110.7	K392 C394 K399 T403 N406 V407 H410	K392-F401 WeakPolarHBondContact CB-O 3.42Å; K392-F401 PolarHBondContact O-N 3.44Å; C394-F401 HydrophobicContact CB-CE2 4.28Å; K399-F401 HydrophobicContact CB-CE2 3.75Å; K399-F401 HydrophobicContact CB-CZ 4Å; K399-F401 WeakPolarHBondContact O-CD2 3.39Å; K399-F401 WeakPolarHBondContact O-CE2 3.37Å; F401-T403 PolarHBondContact O-N 3Å; F401-N406 HydrophobicContact CB-CB 4.03Å; F401-N406 HydrophobicContact CD1-CB 4.36Å; F401-N406 HydrophobicContact CG-CB 4.44Å; F401-V407 HydrophobicContact CB-CG2 3.96Å; F401-V407 HydrophobicContact CD2-CG2 4.04Å; F401-V407 HydrophobicContact CG-CG2 4.4Å; F401-H410 HydrophobicContact CE1-CB 4.05Å; F401-H410 HydrophobicContact CE2-CB 4.03Å; F401-H410 AromaticContact CE2-CD2 3.27Å; F401-H410 WeakPolarHBondContact CE2-CD2 3.47Å; F401-H410 AromaticContact CE2-CG 3.66Å; F401-H410 AromaticContact CE2-NE2 3.91Å; F401-H410 HydrophobicContact CZ-CB 3.67Å; F401-H410 AromaticContact CZ-CD2 3.31Å; F401-H410 WeakPolarHBondContact CZ-CD2 3.43Å; F401-H410 AromaticContact CZ-CG 3.25Å; F401-H410 AromaticContact CZ-ND1 3.73Å; F401-H410 AromaticContact CZ-NE2 3.78Å
402	A	82.8	Confident	84.4	Confident	84 Å²	84	75.2 Å²	75.2	69%	0.694	40%	0.396	S	S	*	.	S	Bend	trans	-55.8	-25.3	-177.4	0	0	0	0	0	114.9
403	T	84.5	Confident	84.7	Confident	65 Å²	65	73.1 Å²	73.1	40%	0.399	39%	0.388	S	S	.	.	S	Bend	trans	-141.7	146.4	-179.6	70.5	0	0	0	0	113.2	F401 A405 N406 V407	F401-T403 PolarHBondContact O-N 3Å; T403-A405 PolarHBondContact O-N 2.76Å; T403-N406 PolarHBondContact O-N 3.13Å; T403-N406 PolarHBondContact OG1-N 2.83Å; T403-V407 PolarHBondContact O-N 2.83Å; T403-V407 VanDerWaalsContact O-N 3.08Å
404	K	83.7	Confident	84.5	Confident	140 Å²	140	76.6 Å²	76.6	61%	0.609	41%	0.408	S	S	*	.	H	α-helix	trans	-61.6	-7.1	172.8	-166.3	169.6	-178.2	175.3	0	114	R408	K404-R408 PolarHBondContact O-NE 2.73Å
405	A	85.4	Confident	84.2	Confident	59 Å²	59	80 Å²	80	49%	0.488	42%	0.424	S	S	.	.	H	α-helix	trans	-85.1	-42	169	0	0	0	0	0	111.7	T403 R408 R409	T403-A405 PolarHBondContact O-N 2.76Å; A405-R408 PolarHBondContact O-N 2.81Å; A405-R409 PolarHBondContact O-N 2.83Å
406	N	86.2	Confident	84.2	Confident	58 Å²	58	83.7 Å²	83.7	31%	0.31	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-36.3	172.5	-79.4	-35.5	0	0	0	111.9	F401 T403 R408 R409 H410	F401-N406 HydrophobicContact CB-CB 4.03Å; F401-N406 HydrophobicContact CD1-CB 4.36Å; F401-N406 HydrophobicContact CG-CB 4.44Å; T403-N406 PolarHBondContact O-N 3.13Å; T403-N406 PolarHBondContact OG1-N 2.83Å; N406-R408 PolarHBondContact O-N 3.31Å; N406-R409 PolarHBondContact O-N 3.37Å; N406-R409 PolarHBondContact OD1-NH2 3.2Å; N406-H410 VanDerWaalsContact O-CB 3.28Å; N406-H410 WeakPolarHBondContact O-CB 3.11Å; N406-H410 PolarHBondContact O-N 3.39Å
407	V	91.6	Very high	83.4	Confident	11 Å²	11	82.1 Å²	82.1	7%	0.067	43%	0.427	C	S	.	.	H	α-helix	trans	-53.9	-51.5	170.5	179.6	0	0	0	0	111.4	K392 S393 F401 T403 H410 F411	K392-V407 WeakPolarHBondContact O-CG2 3.17Å; S393-V407 VanDerWaalsContact O-CG1 3.26Å; S393-V407 WeakPolarHBondContact O-CG1 3.24Å; F401-V407 HydrophobicContact CB-CG2 3.96Å; F401-V407 HydrophobicContact CD2-CG2 4.04Å; F401-V407 HydrophobicContact CG-CG2 4.4Å; T403-V407 PolarHBondContact O-N 2.83Å; T403-V407 VanDerWaalsContact O-N 3.08Å; V407-H410 PolarHBondContact O-N 2.84Å; V407-F411 WeakPolarHBondContact O-CB 3.24Å; V407-F411 PolarHBondContact O-N 3.39Å
408	R	83.8	Confident	82.2	Confident	152 Å²	152	85.2 Å²	85.2	57%	0.574	44%	0.441	S	S	*	.	H	α-helix	trans	-64.8	-43.9	-179.4	-81.7	179.2	-76.6	176.4	-3.7	112.1	K404 A405 N406 H410 F411 D412	K404-R408 PolarHBondContact O-NE 2.73Å; A405-R408 PolarHBondContact O-N 2.81Å; N406-R408 PolarHBondContact O-N 3.31Å; R408-H410 PolarHBondContact O-N 3.2Å; R408-F411 WeakPolarHBondContact O-CB 3.47Å; R408-F411 PolarHBondContact O-N 2.8Å; R408-D412 PolarHBondContact O-N 3.39Å
409	R	87.1	Confident	81	Confident	126 Å²	126	90.5 Å²	90.5	48%	0.475	45%	0.453	S	S	.	.	H	α-helix	trans	-60.6	-44.7	175.7	-177.9	167.9	63	89.6	-1.4	112	A405 N406 D412 E413	A405-R409 PolarHBondContact O-N 2.83Å; N406-R409 PolarHBondContact O-N 3.37Å; N406-R409 PolarHBondContact OD1-NH2 3.2Å; R409-D412 PolarHBondContact O-N 3.38Å; R409-E413 VanDerWaalsContact CD-OE1 3.3Å; R409-E413 WeakPolarHBondContact CD-OE1 3.47Å; R409-E413 HydrophobicContact CG-CG 4.19Å; R409-E413 WeakPolarHBondContact CG-OE1 3.45Å; R409-E413 WeakPolarHBondContact CG-OE2 3.2Å; R409-E413 IonicContact NH1-OE1 2.65Å; R409-E413 IonicContact NH1-OE2 3.87Å; R409-E413 PolarHBondContact NH1-OE2 2.77Å; R409-E413 VanDerWaalsContact O-CB 3.23Å; R409-E413 WeakPolarHBondContact O-CB 3.46Å; R409-E413 VanDerWaalsContact O-CG 3.28Å; R409-E413 WeakPolarHBondContact O-CG 3.22Å; R409-E413 PolarHBondContact O-N 3.15Å
410	H	89	Confident	80.2	Confident	23 Å²	23	93.2 Å²	93.2	11%	0.106	46%	0.46	C	S	.	.	H	α-helix	trans	-62.3	-41.8	174.5	166.5	65	0	0	0	112.3	C397 F401 N406 V407 R408 V414 H415	C397-H410 PolarHBondContact SG-NE2 3.25Å; F401-H410 HydrophobicContact CE1-CB 4.05Å; F401-H410 HydrophobicContact CE2-CB 4.03Å; F401-H410 AromaticContact CE2-CD2 3.27Å; F401-H410 WeakPolarHBondContact CE2-CD2 3.47Å; F401-H410 AromaticContact CE2-CG 3.66Å; F401-H410 AromaticContact CE2-NE2 3.91Å; F401-H410 HydrophobicContact CZ-CB 3.67Å; F401-H410 AromaticContact CZ-CD2 3.31Å; F401-H410 WeakPolarHBondContact CZ-CD2 3.43Å; F401-H410 AromaticContact CZ-CG 3.25Å; F401-H410 AromaticContact CZ-ND1 3.73Å; F401-H410 AromaticContact CZ-NE2 3.78Å; N406-H410 VanDerWaalsContact O-CB 3.28Å; N406-H410 WeakPolarHBondContact O-CB 3.11Å; N406-H410 PolarHBondContact O-N 3.39Å; V407-H410 PolarHBondContact O-N 2.84Å; R408-H410 PolarHBondContact O-N 3.2Å; H410-V414 WeakPolarHBondContact ND1-CG2 3.48Å; H410-V414 WeakPolarHBondContact O-CA 3.41Å; H410-V414 VanDerWaalsContact O-CB 3.24Å; H410-V414 WeakPolarHBondContact O-CB 3.35Å; H410-V414 PolarHBondContact O-N 3.17Å; H410-H415 AromaticContact NE2-NE2 3.77Å
411	F	85.6	Confident	78	Confident	59 Å²	59	95.1 Å²	95.1	26%	0.259	47%	0.466	S	S	.	.	I	π-helix	trans	-60.6	-50.5	173.8	179.7	-85.9	0	0	0	111.7	P395 V396 V407 R408 E413 H415 R416	P395-F411 HydrophobicContact CG-CD2 4.37Å; P395-F411 HydrophobicContact CG-CE2 4.45Å; V396-F411 HydrophobicContact CG2-CD2 4.04Å; V396-F411 HydrophobicContact CG2-CE2 3.63Å; V407-F411 WeakPolarHBondContact O-CB 3.24Å; V407-F411 PolarHBondContact O-N 3.39Å; R408-F411 WeakPolarHBondContact O-CB 3.47Å; R408-F411 PolarHBondContact O-N 2.8Å; F411-E413 PolarHBondContact O-N 2.83Å; F411-H415 HydrophobicContact CD2-CB 4.2Å; F411-H415 HydrophobicContact CE2-CB 4.46Å; F411-H415 CarbonylContact O-C 3.56Å; F411-H415 WeakPolarHBondContact O-CA 3.44Å; F411-H415 WeakPolarHBondContact O-CB 3.29Å; F411-H415 PolarHBondContact O-N 2.99Å; F411-R416 PolarHBondContact O-N 3.36Å
412	D	83.9	Confident	75.6	Confident	53 Å²	53	98.8 Å²	98.8	28%	0.283	49%	0.493	S	S	.	.	I	π-helix	trans	-66.5	-33.6	-180	-69	-41.2	0	0	0	112.8	R408 R409 R416 G417 L418	R408-D412 PolarHBondContact O-N 3.39Å; R409-D412 PolarHBondContact O-N 3.38Å; D412-R416 CarbonylContact O-C 3.59Å; D412-R416 WeakPolarHBondContact O-CB 3.2Å; D412-R416 WeakPolarHBondContact OD1-CD 3.21Å; D412-R416 IonicContact OD1-CZ 3.1Å; D412-R416 IonicContact OD1-NH1 2.69Å; D412-R416 PolarHBondContact OD1-NH1 3.09Å; D412-G417 PolarHBondContact O-N 3.26Å; D412-L418 PolarHBondContact O-N 3.11Å
413	E	85.6	Confident	73.4	Confident	72 Å²	72	102.2 Å²	102.2	34%	0.336	50%	0.498	S	S	.	.	I	π-helix	trans	-83.1	-37	-179.9	-71.8	169.1	-177.4	0	0	113.4	R409 F411	R409-E413 VanDerWaalsContact CD-OE1 3.3Å; R409-E413 WeakPolarHBondContact CD-OE1 3.47Å; R409-E413 HydrophobicContact CG-CG 4.19Å; R409-E413 WeakPolarHBondContact CG-OE1 3.45Å; R409-E413 WeakPolarHBondContact CG-OE2 3.2Å; R409-E413 IonicContact NH1-OE1 2.65Å; R409-E413 IonicContact NH1-OE2 3.87Å; R409-E413 PolarHBondContact NH1-OE2 2.77Å; R409-E413 VanDerWaalsContact O-CB 3.23Å; R409-E413 WeakPolarHBondContact O-CB 3.46Å; R409-E413 VanDerWaalsContact O-CG 3.28Å; R409-E413 WeakPolarHBondContact O-CG 3.22Å; R409-E413 PolarHBondContact O-N 3.15Å; F411-E413 PolarHBondContact O-N 2.83Å
414	V	80.3	Confident	70.9	Confident	90 Å²	90	105.7 Å²	105.7	55%	0.545	52%	0.519	S	S	.	.	I	π-helix	trans	-106.6	-36.9	-171.5	-178	0	0	0	0	113.4	H410	H410-V414 WeakPolarHBondContact ND1-CG2 3.48Å; H410-V414 WeakPolarHBondContact O-CA 3.41Å; H410-V414 VanDerWaalsContact O-CB 3.24Å; H410-V414 WeakPolarHBondContact O-CB 3.35Å; H410-V414 PolarHBondContact O-N 3.17Å
415	H	80.8	Confident	69.3	Low	71 Å²	71	104.2 Å²	104.2	33%	0.329	52%	0.524	S	S	.	.	I	π-helix	trans	-101.2	-8.5	179.8	-65.2	-66.8	0	0	0	113.4	C394 V396 C397 H410 F411	C394-H415 VanDerWaalsContact SG-CD2 3.59Å; V396-H415 WeakPolarHBondContact CG1-ND1 3.4Å; C397-H415 PolarHBondContact SG-NE2 3.08Å; H410-H415 AromaticContact NE2-NE2 3.77Å; F411-H415 HydrophobicContact CD2-CB 4.2Å; F411-H415 HydrophobicContact CE2-CB 4.46Å; F411-H415 CarbonylContact O-C 3.56Å; F411-H415 WeakPolarHBondContact O-CA 3.44Å; F411-H415 WeakPolarHBondContact O-CB 3.29Å; F411-H415 PolarHBondContact O-N 2.99Å
416	R	80.4	Confident	66.5	Low	169 Å²	169	108.6 Å²	108.6	64%	0.638	54%	0.539	S	S	*	.	S	Bend	trans	-128.5	2.3	-178.1	-132.4	-178.4	-168.4	166.4	4	114.5	F411 D412 L418	F411-R416 PolarHBondContact O-N 3.36Å; D412-R416 CarbonylContact O-C 3.59Å; D412-R416 WeakPolarHBondContact O-CB 3.2Å; D412-R416 WeakPolarHBondContact OD1-CD 3.21Å; D412-R416 IonicContact OD1-CZ 3.1Å; D412-R416 IonicContact OD1-NH1 2.69Å; D412-R416 PolarHBondContact OD1-NH1 3.09Å; R416-L418 PolarHBondContact O-N 2.98Å
417	G	64.4	Low	64	Low	55 Å²	55	113.8 Å²	113.8	57%	0.567	57%	0.565	S	S	*	*			trans	65	6.9	170.8	0	0	0	0	0	117.3	D412 R419	D412-G417 PolarHBondContact O-N 3.26Å; G417-R419 VanDerWaalsContact C-N 3.29Å; G417-R419 PolarHBondContact O-N 3.07Å
418	L	60.2	Low	61	Low	106 Å²	106	117.8 Å²	117.8	56%	0.555	60%	0.599	S	S	*	*			trans	-81.5	69.1	-167.4	-167.3	65	0	0	0	112.9	D412 R416	D412-L418 PolarHBondContact O-N 3.11Å; R416-L418 PolarHBondContact O-N 2.98Å
419	R	56.8	Low	58.5	Low	217 Å²	217	115.8 Å²	115.8	82%	0.819	61%	0.609	S	S	*	*			trans	-71.1	150.3	175.6	-59.5	-179.3	67.3	-142	-3.2	111.1	G417	G417-R419 VanDerWaalsContact C-N 3.29Å; G417-R419 PolarHBondContact O-N 3.07Å
420	R	61.3	Low	55.9	Low	184 Å²	184	121.4 Å²	121.4	69%	0.694	63%	0.63	S	S	*	*			trans	-109.8	-10.8	-168.6	-83.1	-168.1	173.3	84.2	7.8	117.4
421	D	37.7	Very low	53.2	Low	149 Å²	149	126.8 Å²	126.8	80%	0.797	67%	0.667	S	S	*	*			trans	-124.1	77.3	-154.7	-58.7	-69.6	0	0	0	115.2
422	T	37.5	Very low	50.5	Low	132 Å²	132	127.4 Å²	127.4	81%	0.81	69%	0.691	S	S	*	*			trans	-147.9	75.3	160.9	-34.2	0	0	0	0	114.4
423	I	35.2	Very low	48.1	Very low	155 Å²	155	133.8 Å²	133.8	80%	0.795	72%	0.718	S	S	*	*			trans	-137.2	125.2	151.6	-69.4	88.8	0	0	0	109.6
424	T	33.5	Very low	45.9	Very low	138 Å²	138	134.4 Å²	134.4	85%	0.847	73%	0.729	S	S	*	*			trans	-146.5	117.6	155.8	-70.9	0	0	0	0	107.5	N426	T424-N426 PolarHBondContact O-N 3.41Å
425	P	48.2	Very low	43.3	Very low	109 Å²	109	138.5 Å²	138.5	71%	0.708	74%	0.74	S	S	*	*			trans	-98.7	90.9	-164.2	36	-34.6	0	0	0	114
426	N	27.4	Very low	40.6	Very low	152 Å²	152	140.4 Å²	140.4	81%	0.813	76%	0.756	S	S	*	*			trans	-165.3	118.4	147.3	-128.7	-90.6	0	0	0	114.6	T424	T424-N426 PolarHBondContact O-N 3.41Å
427	I	32.7	Very low	38.2	Very low	166 Å²	166	139.8 Å²	139.8	85%	0.851	77%	0.765	S	S	*	*				175.9	144.5	123.2	-88.1	156	0	0	0	105.7
428	A	29.9	Very low	36.4	Very low	95 Å²	95	145.5 Å²	145.5	79%	0.785	78%	0.777	S	S	*	*			trans	-114.4	139.6	-164.4	0	0	0	0	0	113.7
429	S	30.7	Very low	35	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	78%	0.782	S	S	*	*			trans	-170.3	108.9	142.8	55.2	0	0	0	0	113.6
430	R	32.5	Very low	33.7	Very low	243 Å²	243	141.3 Å²	141.3	92%	0.917	78%	0.78	S	S	*	*			trans	50.5	135.1	145.4	-48.8	-176.6	80.4	164.9	3.1	120.8
431	P	32.4	Very low	32.9	Very low	136 Å²	136	137.6 Å²	137.6	88%	0.883	78%	0.78	S	S	*	*			trans	-95.7	163.4	175.5	38.7	-35.3	0	0	0	114.5
432	G	28.5	Very low	33.1	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	77%	0.773	S	S	*	*			trans	146.4	89	165.7	0	0	0	0	0	112.1
433	Q	34.1	Very low	32.7	Very low	186 Å²	186	138 Å²	138	87%	0.869	77%	0.773	S	S	*	*				91.7	159.8	85.1	-121.9	-152.7	-13.2	0	0	113
434	P	39.5	Very low	32.5	Very low	86 Å²	86	139.8 Å²	139.8	56%	0.558	78%	0.775	S	S	*	*				-125	-137.8	-87.4	43	-28.7	0	0	0	114.3
435	F	24.9	Very low	32.2	Very low	176 Å²	176	138 Å²	138	77%	0.772	77%	0.769	S	S	*	*			trans	80.2	103.2	-175.8	-61.1	-81.7	0	0	0	114.6
436	T	25.7	Very low	31.3	Very low	110 Å²	110	140.1 Å²	140.1	68%	0.675	77%	0.774	S	S	*	*				71.3	104.2	76	60.9	0	0	0	0	112.8
437	L	29.7	Very low	31.4	Very low	156 Å²	156	140.4 Å²	140.4	82%	0.817	78%	0.775	S	S	*	*				84.8	108.8	80.8	-85.6	174.4	0	0	0	113.2
438	E	25.2	Very low	31.2	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	77%	0.774	S	S	*	*			trans	-162.5	163	153.2	-122.1	-69.2	72.5	0	0	110
439	V	31.7	Very low	31.2	Very low	108 Å²	108	139.1 Å²	139.1	66%	0.655	78%	0.775	S	S	*	*			trans	-124.7	96.6	-151.8	-177.9	0	0	0	0	115
440	T	30.2	Very low	32	Very low	127 Å²	127	138.7 Å²	138.7	78%	0.779	77%	0.77	S	S	*	*			trans	72.5	-167.6	151	-15.4	0	0	0	0	116
441	P	43	Very low	32	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	77%	0.765	S	S	*	*				-122.8	-165.7	-129	48.2	-30.3	0	0	0	113.3
442	P	43.3	Very low	32	Very low	102 Å²	102	137.5 Å²	137.5	66%	0.662	76%	0.763	S	S	*	*			cis	-139.9	-172.1	-0.1	45.4	-27.8	0	0	0	116.7
443	K	28.7	Very low	32	Very low	187 Å²	187	137.3 Å²	137.3	81%	0.813	75%	0.754	S	S	*	*			trans	79	123.9	153.3	-72.1	171.6	-177	172.1	0	121.7
444	K	29.7	Very low	32.2	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.835	75%	0.753	S	S	*	*			trans	83.8	131.8	141.4	-73	-174	172.7	-172.2	0	122.9
445	S	28.7	Very low	31.8	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	76%	0.76	S	S	*	*			trans	65.9	107.4	144.3	53.1	0	0	0	0	124
446	N	28.5	Very low	32.2	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	76%	0.759	S	S	*	*				53.3	112.7	124.5	-61.7	7.3	0	0	0	123.7
447	N	29.2	Very low	32.5	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	77%	0.766	S	S	*	*			trans	49.3	107.1	130.3	-70.7	3.1	0	0	0	122.9
448	S	29.3	Very low	32.3	Very low	118 Å²	118	137 Å²	137	83%	0.825	76%	0.764	S	S	*	*			trans	-178.4	155	130.8	39.8	0	0	0	0	108
449	S	29.5	Very low	32.4	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	76%	0.76	S	S	*	*			cis	-150.3	176.2	-9.8	-106.1	0	0	0	0	109.1
450	P	48.3	Very low	32.8	Very low	102 Å²	102	135.2 Å²	135.2	66%	0.662	77%	0.768	S	S	*	*			trans	-115.4	-172.6	-155.1	43.4	-36.8	0	0	0	117.3
451	T	31.6	Very low	32.6	Very low	131 Å²	131	135.1 Å²	135.1	80%	0.804	77%	0.767	S	S	*	*			trans	74.5	154.5	156.6	50.2	0	0	0	0	119.6
452	R	31.9	Very low	32	Very low	224 Å²	224	137 Å²	137	85%	0.845	77%	0.771	S	S	*	*			cis	-176.3	155.8	-15.8	164.3	177.2	176.8	-156.8	-0.4	111.8
453	A	30	Very low	31.2	Very low	69 Å²	69	136.3 Å²	136.3	57%	0.57	77%	0.769	S	S	*	*			trans	70.5	129.1	161.6	0	0	0	0	0	118.3
454	H	37.9	Very low	31.2	Very low	182 Å²	182	136.2 Å²	136.2	84%	0.843	77%	0.769	S	S	*	*				78.4	149.8	77.5	-48.9	-43.8	0	0	0	113.6
455	S	30.2	Very low	31.1	Very low	101 Å²	101	133 Å²	133	71%	0.706	77%	0.766	S	S	*	*			cis	-162	171.5	17.2	-153.9	0	0	0	0	114
456	S	33.1	Very low	30.9	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	77%	0.767	S	S	*	*			trans	62.8	157.2	153.4	40.8	0	0	0	0	121
457	K	32	Very low	30.8	Very low	188 Å²	188	130.9 Å²	130.9	82%	0.817	77%	0.768	S	S	*	*			cis	-170.1	179.9	-27	-162.3	-178.6	172.6	-173.7	0	108.9
458	T	26.5	Very low	30.6	Very low	126 Å²	126	128.5 Å²	128.5	77%	0.773	76%	0.764	S	S	*	*			trans	83.2	120.7	154.1	41	0	0	0	0	122.5
459	T	27	Very low	30.5	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	76%	0.762	S	S	*	*			trans	-80.8	161.1	164.6	47.5	0	0	0	0	113
460	P	40	Very low	30.7	Very low	127 Å²	127	132.7 Å²	132.7	83%	0.825	76%	0.763	S	S	*	*				-132	-141	100.5	25.9	-6.6	0	0	0	116.3
461	V	27	Very low	29.7	Very low	125 Å²	125	132 Å²	132	76%	0.758	77%	0.765	S	S	*	*				-163.2	137.4	-120.8	148.2	0	0	0	0	116.4
462	N	29	Very low	29.7	Very low	145 Å²	145	135 Å²	135	78%	0.775	77%	0.77	S	S	*	*			trans	68.7	163.2	160.5	-130.2	8.3	0	0	0	117.3
463	S	28.2	Very low	29.6	Very low	88 Å²	88	128 Å²	128	62%	0.615	77%	0.768	S	S	*	*			cis	-153.8	165.7	7.3	-42	0	0	0	0	114.1
464	K	27.6	Very low	29.7	Very low	185 Å²	185	134.4 Å²	134.4	80%	0.804	78%	0.783	S	S	*	*			trans	8.7	154.4	136.3	-62.1	-179.2	-178.8	178.4	0	120.6
465	T	27	Very low	29.7	Very low	126 Å²	126	131.7 Å²	131.7	77%	0.773	78%	0.781	S	S	*	*			cis	179	171.8	1.4	27.1	0	0	0	0	108.1
466	S	26	Very low	29.8	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	79%	0.787	S	S	*	*			cis	-178	176.4	-15.9	54.6	0	0	0	0	111
467	A	25.9	Very low	29.6	Very low	102 Å²	102	134.6 Å²	134.6	84%	0.843	78%	0.782	S	S	*	*			trans	76.2	152.9	175.8	0	0	0	0	0	115.8
468	S	24.8	Very low	29.5	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	78%	0.781	S	S	*	*			cis	-146.8	-171.9	23	-165.9	0	0	0	0	114.3
469	N	28.1	Very low	30	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	79%	0.785	S	S	*	*			trans	-59.3	163.4	-176.4	-59.9	-82.1	0	0	0	115.3
470	Q	32.7	Very low	30.1	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	79%	0.785	S	S	*	*			cis	-129.1	-125.8	17.1	-152.7	-161.4	105.4	0	0	114
471	A	27.2	Very low	29.6	Very low	87 Å²	87	138.2 Å²	138.2	72%	0.719	78%	0.784	S	S	*	*			cis	-150.5	-156.8	8.9	0	0	0	0	0	113.7
472	Q	32.8	Very low	29.9	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	78%	0.784	S	S	*	*			trans	-58.8	149.1	-175.4	-64.6	172.8	-12.8	0	0	116.4
473	G	28	Very low	30.9	Very low	77 Å²	77	135.2 Å²	135.2	79%	0.794	79%	0.786	S	S	*	*			trans	140.8	106.6	160.2	0	0	0	0	0	117.6
474	K	33.5	Very low	32.6	Very low	205 Å²	205	135 Å²	135	89%	0.891	78%	0.784	S	S	*	*			trans	-154.7	157	167.8	-105.4	-179.3	-177.7	171.1	0	108.6
475	P	37.4	Very low	35.1	Very low	125 Å²	125	128 Å²	128	81%	0.812	76%	0.758	S	S	*	*			cis	-132.6	-163.5	33.7	41.3	-23.4	0	0	0	116
476	Q	32.7	Very low	37.8	Very low	178 Å²	178	127.5 Å²	127.5	83%	0.832	74%	0.742	S	S	*	*			trans	-83.3	175.2	-170.1	-64.7	172.5	-74	0	0	115.9
477	S	27.7	Very low	40.7	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	71%	0.707	S	S	*	*			trans	92.1	156.8	154.5	79.9	0	0	0	0	116.6
478	K	31.1	Very low	43.5	Very low	186 Å²	186	123 Å²	123	81%	0.809	70%	0.7	S	S	*	*			cis	-135.4	161.1	9.5	-102.2	106.5	-164.4	157.9	0	112.7
479	Q	36.3	Very low	46.2	Very low	183 Å²	183	122.7 Å²	122.7	86%	0.855	69%	0.689	S	S	*	*			trans	-81.6	143.2	153.2	-62.9	172.5	-17.7	0	0	110.2
480	T	29.3	Very low	49	Very low	120 Å²	120	117.5 Å²	117.5	74%	0.736	66%	0.664	S	S	*	*			trans	177.4	158.8	152.1	27.6	0	0	0	0	108.8
481	N	29.3	Very low	51.5	Low	149 Å²	149	116.3 Å²	116.3	80%	0.797	66%	0.656	S	S	*	*			cis	-152.1	126.6	-6.6	-126.3	-26.4	0	0	0	109.9
482	S	32.8	Very low	54	Low	108 Å²	108	119.3 Å²	119.3	76%	0.755	65%	0.648	S	S	*	*			trans	-117.5	122.4	160.2	64	0	0	0	0	108.2	S484	S482-S484 PolarHBondContact O-N 3.14Å
483	A	51	Low	56.4	Low	98 Å²	98	115.8 Å²	115.8	81%	0.81	64%	0.636	S	S	*	*			trans	-58.1	97.7	-163.3	0	0	0	0	0	112.4	C485	A483-C485 PolarHBondContact O-N 2.86Å
484	S	62.5	Low	59.4	Low	83 Å²	83	115.2 Å²	115.2	58%	0.58	61%	0.61	S	S	*	*			trans	-68.7	120.3	-168.3	71.2	0	0	0	0	110.4	S482 R486	S482-S484 PolarHBondContact O-N 3.14Å; S484-R486 PolarHBondContact O-N 3.27Å
485	C	80.3	Confident	61.4	Low	38 Å²	38	111.2 Å²	111.2	26%	0.257	61%	0.608	S	S	.	*			trans	-72.4	42.1	166	-67.9	0	0	0	0	110.9	A483 Y494 Q497	A483-C485 PolarHBondContact O-N 2.86Å; C485-Y494 WeakPolarHBondContact CB-O 3.45Å; C485-Y494 PolarHBondContact O-N 2.95Å; C485-Q497 PolarHBondContact SG-N 3.16Å; C485-Q497 VanDerWaalsContact SG-N 3.39Å
486	R	85.4	Confident	63.8	Low	117 Å²	117	107.2 Å²	107.2	44%	0.442	58%	0.583	S	S	.	*	B	Isolated β-bridge	trans	-102.9	131.7	-177.4	-174.7	170	-158.9	175.3	6.3	109.3	S484 T488 K491 R492 N493 L500	S484-R486 PolarHBondContact O-N 3.27Å; R486-T488 PolarHBondContact O-N 3.29Å; R486-K491 PolarHBondContact NE-O 2.92Å; R486-K491 PolarHBondContact NH2-O 2.82Å; R486-R492 CarbonylContact C-O 3.54Å; R486-R492 WeakPolarHBondContact CA-O 3.08Å; R486-N493 WeakPolarHBondContact CB-OD1 3.47Å; R486-N493 VanDerWaalsContact CD-OD1 3.24Å; R486-N493 WeakPolarHBondContact CD-OD1 3.4Å; R486-N493 WeakPolarHBondContact CG-OD1 3.38Å; R486-N493 PolarHBondContact NE-OD1 3.27Å; R486-L500 WeakPolarHBondContact O-CD2 3.38Å
487	C	87	Confident	66.2	Low	1 Å²	1	103.3 Å²	103.3	1%	0.007	57%	0.565	C	S	.	*			trans	-63.2	118.6	168.2	173.1	0	0	0	0	109.9	L489 C490 K491 R492 Y494 L500 H503 M504	C487-L489 VanDerWaalsContact C-N 3.28Å; C487-L489 PolarHBondContact O-N 3.35Å; C487-L489 PolarHBondContact SG-N 2.84Å; C487-L489 VanDerWaalsContact SG-N 3.4Å; C487-C490 PolarHBondContact SG-N 3.27Å; C487-K491 WeakPolarHBondContact O-CA 3.38Å; C487-K491 PolarHBondContact O-N 3.26Å; C487-R492 PolarHBondContact N-O 3.02Å; C487-Y494 HydrophobicContact CB-CE2 4.06Å; C487-L500 HydrophobicContact CB-CD1 3.83Å; C487-H503 WeakPolarHBondContact CB-NE2 3.49Å; C487-H503 PolarHBondContact SG-NE2 2.68Å; C487-M504 HydrophobicContact CB-CE 3.97Å; C487-M504 WeakPolarHBondContact SG-CE 3.25Å
488	T	84.4	Confident	69	Low	113 Å²	113	104.8 Å²	104.8	69%	0.693	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-36	174.9	47.9	0	0	0	0	111.9	R486	R486-T488 PolarHBondContact O-N 3.29Å
489	L	81.4	Confident	71.6	Confident	100 Å²	100	99.7 Å²	99.7	52%	0.524	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-29.9	-170.6	-57.8	175.9	0	0	0	115.3	C487 M504 H508 I510	C487-L489 VanDerWaalsContact C-N 3.28Å; C487-L489 PolarHBondContact O-N 3.35Å; C487-L489 PolarHBondContact SG-N 2.84Å; C487-L489 VanDerWaalsContact SG-N 3.4Å; L489-M504 HydrophobicContact CD1-SD 4.37Å; L489-H508 VanDerWaalsContact CB-CE1 3.43Å; L489-H508 WeakPolarHBondContact CB-CE1 3.45Å; L489-H508 HydrophobicContact CD1-CB 3.85Å; L489-I510 HydrophobicContact CD1-CD1 3.56Å
490	C	87	Confident	74.2	Confident	38 Å²	38	91.5 Å²	91.5	26%	0.257	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	9.7	176.2	85.4	0	0	0	0	114	C487 R492 H503	C487-C490 PolarHBondContact SG-N 3.27Å; C490-R492 PolarHBondContact O-N 3.38Å; C490-R492 PolarHBondContact SG-NH1 3.35Å; C490-R492 VanDerWaalsContact SG-NH1 3.35Å; C490-H503 VanDerWaalsContact SG-CE1 3.52Å; C490-H503 PolarHBondContact SG-NE2 3.16Å
491	K	84.9	Confident	76.9	Confident	151 Å²	151	91.9 Å²	91.9	66%	0.657	50%	0.499	S	S	*	.			trans	57.5	12.8	171	-61.7	-176.5	180	179.8	0	116.4	R486 C487	R486-K491 PolarHBondContact NE-O 2.92Å; R486-K491 PolarHBondContact NH2-O 2.82Å; C487-K491 WeakPolarHBondContact O-CA 3.38Å; C487-K491 PolarHBondContact O-N 3.26Å
492	R	79.2	Confident	79.6	Confident	150 Å²	150	92.1 Å²	92.1	57%	0.566	49%	0.488	S	S	*	.			trans	-76	139.1	172.8	-72.5	-176	174	90	-0.1	112.4	R486 C487 C490 Y494	R486-R492 CarbonylContact C-O 3.54Å; R486-R492 WeakPolarHBondContact CA-O 3.08Å; C487-R492 PolarHBondContact N-O 3.02Å; C490-R492 PolarHBondContact O-N 3.38Å; C490-R492 PolarHBondContact SG-NH1 3.35Å; C490-R492 VanDerWaalsContact SG-NH1 3.35Å; R492-Y494 HydrophobicContact CB-CE2 3.69Å; R492-Y494 WeakPolarHBondContact CD-OH 3.43Å; R492-Y494 WeakPolarHBondContact O-CE2 3.44Å
493	N	83.9	Confident	82.3	Confident	120 Å²	120	87.7 Å²	87.7	64%	0.642	46%	0.455	S	S	*	.	B	Isolated β-bridge	trans	-90.4	144.8	174.1	-63.3	-8.4	0	0	0	110.7	R486	R486-N493 WeakPolarHBondContact CB-OD1 3.47Å; R486-N493 VanDerWaalsContact CD-OD1 3.24Å; R486-N493 WeakPolarHBondContact CD-OD1 3.4Å; R486-N493 WeakPolarHBondContact CG-OD1 3.38Å; R486-N493 PolarHBondContact NE-OD1 3.27Å
494	Y	90.8	Very high	84	Confident	64 Å²	64	84.2 Å²	84.2	25%	0.251	42%	0.423	S	S	.	.			trans	-127.1	148.7	177.7	-65.8	-86.7	0	0	0	110.3	C485 C487 R492 S496 M499 L500 H503	C485-Y494 WeakPolarHBondContact CB-O 3.45Å; C485-Y494 PolarHBondContact O-N 2.95Å; C487-Y494 HydrophobicContact CB-CE2 4.06Å; R492-Y494 HydrophobicContact CB-CE2 3.69Å; R492-Y494 WeakPolarHBondContact CD-OH 3.43Å; R492-Y494 WeakPolarHBondContact O-CE2 3.44Å; Y494-S496 PolarHBondContact O-N 3.42Å; Y494-M499 HydrophobicContact CD1-CB 4.19Å; Y494-L500 HydrophobicContact CD2-CB 4.29Å; Y494-L500 HydrophobicContact CD2-CD1 4.08Å; Y494-L500 HydrophobicContact CE2-CD1 4.38Å; Y494-L500 HydrophobicContact CG-CB 4.47Å; Y494-H503 HydrophobicContact CE1-CB 4.06Å; Y494-H503 HydrophobicContact CE2-CB 4.28Å; Y494-H503 AromaticContact CE2-CD2 3.26Å; Y494-H503 WeakPolarHBondContact CE2-CD2 3.41Å; Y494-H503 AromaticContact CE2-CG 3.83Å; Y494-H503 AromaticContact CE2-NE2 3.87Å; Y494-H503 AromaticContact CZ-CD2 3.4Å; Y494-H503 VanDerWaalsContact CZ-CD2 3.4Å; Y494-H503 AromaticContact CZ-CG 3.49Å; Y494-H503 VanDerWaalsContact CZ-CG 3.49Å; Y494-H503 AromaticContact CZ-NE2 3.95Å; Y494-H503 PolarHBondContact OH-CD2 3.46Å; Y494-H503 VanDerWaalsContact OH-CD2 3.3Å; Y494-H503 PolarHBondContact OH-CE1 3.3Å; Y494-H503 VanDerWaalsContact OH-CG 3.28Å; Y494-H503 PolarHBondContact OH-ND1 3.37Å; Y494-H503 PolarHBondContact OH-NE2 2.85Å
495	S	75.7	Confident	85.2	Confident	121 Å²	121	87.1 Å²	87.1	85%	0.846	42%	0.421	S	S	*	.	S	Bend	trans	-71.3	-6.1	-180	53.8	0	0	0	0	114.6
496	S	86.8	Confident	85.5	Confident	41 Å²	41	90.7 Å²	90.7	29%	0.287	44%	0.437	S	S	.	.	S	Bend	trans	-160.6	153.9	176	60.1	0	0	0	0	112.3	Y494 L498 M499 L500	Y494-S496 PolarHBondContact O-N 3.42Å; S496-L498 PolarHBondContact O-N 2.85Å; S496-M499 PolarHBondContact O-N 3.42Å; S496-M499 VanDerWaalsContact O-N 3.14Å; S496-M499 WeakPolarHBondContact OG-CG 3.05Å; S496-M499 PolarHBondContact OG-N 3.44Å; S496-L500 PolarHBondContact O-N 2.92Å
497	Q	83.4	Confident	85.6	Confident	97 Å²	97	89.4 Å²	89.4	45%	0.453	44%	0.442	S	S	.	.	H	α-helix	trans	-62.7	-24.8	174.3	-164.6	65.3	-2.1	0	0	112.6	C485 K501	C485-Q497 PolarHBondContact SG-N 3.16Å; C485-Q497 VanDerWaalsContact SG-N 3.39Å; Q497-K501 WeakPolarHBondContact O-CB 3.44Å; Q497-K501 WeakPolarHBondContact O-CG 3.4Å; Q497-K501 PolarHBondContact O-N 3.38Å
498	L	87.3	Confident	85.6	Confident	122 Å²	122	92 Å²	92	64%	0.639	45%	0.454	S	S	*	.	H	α-helix	trans	-72.4	-40.1	174.7	-173.5	143	0	0	0	111.8	S496 K501 R502	S496-L498 PolarHBondContact O-N 2.85Å; L498-K501 PolarHBondContact O-N 2.81Å; L498-R502 WeakPolarHBondContact O-CB 3.36Å; L498-R502 PolarHBondContact O-N 3.01Å
499	M	84.8	Confident	85.4	Confident	79 Å²	79	94.6 Å²	94.6	39%	0.389	46%	0.455	S	S	.	.	H	α-helix	trans	-67.5	-36.9	171.6	-74.2	-64.5	152.3	0	0	112	Y494 S496 R502 H503	Y494-M499 HydrophobicContact CD1-CB 4.19Å; S496-M499 PolarHBondContact O-N 3.42Å; S496-M499 VanDerWaalsContact O-N 3.14Å; S496-M499 WeakPolarHBondContact OG-CG 3.05Å; S496-M499 PolarHBondContact OG-N 3.44Å; M499-R502 PolarHBondContact O-N 3.14Å; M499-H503 WeakPolarHBondContact O-CB 3.47Å; M499-H503 PolarHBondContact O-N 2.69Å
500	L	91.4	Very high	85.2	Confident	12 Å²	12	93.5 Å²	93.5	6%	0.063	45%	0.449	C	S	.	.	H	α-helix	trans	-61.6	-48.7	170.1	175.9	53.5	0	0	0	111.6	R486 C487 Y494 S496 R502 H503 M504	R486-L500 WeakPolarHBondContact O-CD2 3.38Å; C487-L500 HydrophobicContact CB-CD1 3.83Å; Y494-L500 HydrophobicContact CD2-CB 4.29Å; Y494-L500 HydrophobicContact CD2-CD1 4.08Å; Y494-L500 HydrophobicContact CE2-CD1 4.38Å; Y494-L500 HydrophobicContact CG-CB 4.47Å; S496-L500 PolarHBondContact O-N 2.92Å; L500-R502 VanDerWaalsContact C-N 3.32Å; L500-R502 PolarHBondContact O-N 2.8Å; L500-H503 CarbonylContact O-C 3.59Å; L500-H503 WeakPolarHBondContact O-CA 3.47Å; L500-H503 WeakPolarHBondContact O-CB 3.47Å; L500-H503 PolarHBondContact O-N 2.9Å; L500-H503 VanDerWaalsContact O-N 3.08Å; L500-M504 HydrophobicContact CD1-CE 3.9Å; L500-M504 HydrophobicContact CD1-CG 4.09Å; L500-M504 HydrophobicContact CD1-SD 4.48Å; L500-M504 HydrophobicContact CG-CG 4.45Å; L500-M504 WeakPolarHBondContact O-CG 3.28Å; L500-M504 PolarHBondContact O-N 2.79Å
501	K	86.3	Confident	84.4	Confident	128 Å²	128	98.5 Å²	98.5	56%	0.557	46%	0.464	S	S	*	.	H	α-helix	trans	-58.8	-40.2	176	-78.7	-178.8	176.1	-174.3	0	112.5	Q497 L498 M504 R505	Q497-K501 WeakPolarHBondContact O-CB 3.44Å; Q497-K501 WeakPolarHBondContact O-CG 3.4Å; Q497-K501 PolarHBondContact O-N 3.38Å; L498-K501 PolarHBondContact O-N 2.81Å; K501-M504 PolarHBondContact O-N 3.03Å; K501-R505 PolarHBondContact O-N 2.91Å
502	R	84.9	Confident	83.4	Confident	153 Å²	153	96 Å²	96	58%	0.577	47%	0.465	S	S	*	.	H	α-helix	trans	-63.4	-41.4	173.6	-172.9	175.2	-174.8	175.9	4.7	111.7	L498 M499 L500 R505 I506	L498-R502 WeakPolarHBondContact O-CB 3.36Å; L498-R502 PolarHBondContact O-N 3.01Å; M499-R502 PolarHBondContact O-N 3.14Å; L500-R502 VanDerWaalsContact C-N 3.32Å; L500-R502 PolarHBondContact O-N 2.8Å; R502-R505 PolarHBondContact O-N 3.18Å; R502-I506 HydrophobicContact CG-CD1 3.7Å; R502-I506 HydrophobicContact CG-CG1 4.44Å; R502-I506 WeakPolarHBondContact O-CB 3.43Å; R502-I506 WeakPolarHBondContact O-CG1 3.41Å; R502-I506 PolarHBondContact O-N 3.24Å
503	H	89.8	Confident	81.5	Confident	15 Å²	15	95.2 Å²	95.2	7%	0.069	48%	0.476	C	S	.	.	H	α-helix	trans	-66.6	-39.8	175.7	164.7	55.2	0	0	0	113	C487 C490 Y494 M499 L500 I506 V507 H508	C487-H503 WeakPolarHBondContact CB-NE2 3.49Å; C487-H503 PolarHBondContact SG-NE2 2.68Å; C490-H503 VanDerWaalsContact SG-CE1 3.52Å; C490-H503 PolarHBondContact SG-NE2 3.16Å; Y494-H503 HydrophobicContact CE1-CB 4.06Å; Y494-H503 HydrophobicContact CE2-CB 4.28Å; Y494-H503 AromaticContact CE2-CD2 3.26Å; Y494-H503 WeakPolarHBondContact CE2-CD2 3.41Å; Y494-H503 AromaticContact CE2-CG 3.83Å; Y494-H503 AromaticContact CE2-NE2 3.87Å; Y494-H503 AromaticContact CZ-CD2 3.4Å; Y494-H503 VanDerWaalsContact CZ-CD2 3.4Å; Y494-H503 AromaticContact CZ-CG 3.49Å; Y494-H503 VanDerWaalsContact CZ-CG 3.49Å; Y494-H503 AromaticContact CZ-NE2 3.95Å; Y494-H503 PolarHBondContact OH-CD2 3.46Å; Y494-H503 VanDerWaalsContact OH-CD2 3.3Å; Y494-H503 PolarHBondContact OH-CE1 3.3Å; Y494-H503 VanDerWaalsContact OH-CG 3.28Å; Y494-H503 PolarHBondContact OH-ND1 3.37Å; Y494-H503 PolarHBondContact OH-NE2 2.85Å; M499-H503 WeakPolarHBondContact O-CB 3.47Å; M499-H503 PolarHBondContact O-N 2.69Å; L500-H503 CarbonylContact O-C 3.59Å; L500-H503 WeakPolarHBondContact O-CA 3.47Å; L500-H503 WeakPolarHBondContact O-CB 3.47Å; L500-H503 PolarHBondContact O-N 2.9Å; L500-H503 VanDerWaalsContact O-N 3.08Å; H503-I506 PolarHBondContact O-N 3.43Å; H503-V507 WeakPolarHBondContact ND1-CB 3.43Å; H503-V507 VanDerWaalsContact ND1-CG2 3.29Å; H503-V507 WeakPolarHBondContact ND1-CG2 3.4Å; H503-V507 WeakPolarHBondContact O-CB 3.44Å; H503-V507 PolarHBondContact O-N 3.07Å; H503-H508 AromaticContact CE1-CD2 3.62Å; H503-H508 AromaticContact CE1-NE2 3.47Å; H503-H508 PolarHBondContact CE1-NE2 3.11Å; H503-H508 AromaticContact NE2-CD2 3.71Å; H503-H508 AromaticContact NE2-NE2 3.53Å
504	M	86.2	Confident	79.7	Confident	26 Å²	26	99.4 Å²	99.4	13%	0.128	48%	0.483	C	S	.	.	H	α-helix	trans	-57.6	-47.9	171.8	-70.3	-65.4	93.9	0	0	111.7	C487 L489 L500 K501 H508 K509 I510	C487-M504 HydrophobicContact CB-CE 3.97Å; C487-M504 WeakPolarHBondContact SG-CE 3.25Å; L489-M504 HydrophobicContact CD1-SD 4.37Å; L500-M504 HydrophobicContact CD1-CE 3.9Å; L500-M504 HydrophobicContact CD1-CG 4.09Å; L500-M504 HydrophobicContact CD1-SD 4.48Å; L500-M504 HydrophobicContact CG-CG 4.45Å; L500-M504 WeakPolarHBondContact O-CG 3.28Å; L500-M504 PolarHBondContact O-N 2.79Å; K501-M504 PolarHBondContact O-N 3.03Å; M504-H508 VanDerWaalsContact CE-CD2 3.44Å; M504-H508 WeakPolarHBondContact CE-CD2 3.42Å; M504-H508 CarbonylContact O-C 3.59Å; M504-H508 WeakPolarHBondContact O-CA 3.37Å; M504-H508 WeakPolarHBondContact O-CB 3.26Å; M504-H508 PolarHBondContact O-N 2.91Å; M504-K509 PolarHBondContact O-N 2.98Å; M504-I510 HydrophobicContact CB-CB 4.42Å; M504-I510 PolarHBondContact O-N 2.82Å
505	R	89.1	Confident	76.7	Confident	143 Å²	143	101.6 Å²	101.6	54%	0.54	51%	0.508	S	S	.	.	H	α-helix	trans	-67.6	-39.5	-179.8	-165.4	-177.6	-67.4	175.3	-4.2	113.2	K501 R502 K509 I510 Y511	K501-R505 PolarHBondContact O-N 2.91Å; R502-R505 PolarHBondContact O-N 3.18Å; R505-K509 WeakPolarHBondContact O-CA 3.34Å; R505-I510 WeakPolarHBondContact CA-O 3.29Å; R505-Y511 HydrophobicContact CG-CD1 3.73Å; R505-Y511 HydrophobicContact CG-CD2 4.48Å; R505-Y511 HydrophobicContact CG-CE1 3.5Å; R505-Y511 VanDerWaalsContact CG-CE1 3.5Å; R505-Y511 HydrophobicContact CG-CE2 4.25Å; R505-Y511 HydrophobicContact CG-CG 4.22Å
506	I	85.6	Confident	74.6	Confident	114 Å²	114	101.6 Å²	101.6	59%	0.585	50%	0.498	S	S	*	.	H	α-helix	trans	-85.8	-46.5	-175.1	-65.3	176.3	0	0	0	112.7	R502 H503	R502-I506 HydrophobicContact CG-CD1 3.7Å; R502-I506 HydrophobicContact CG-CG1 4.44Å; R502-I506 WeakPolarHBondContact O-CB 3.43Å; R502-I506 WeakPolarHBondContact O-CG1 3.41Å; R502-I506 PolarHBondContact O-N 3.24Å; H503-I506 PolarHBondContact O-N 3.43Å
507	V	87.6	Confident	72	Confident	90 Å²	90	109.5 Å²	109.5	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-94.9	-27.6	-170.5	-177	0	0	0	0	112.4	H503	H503-V507 WeakPolarHBondContact ND1-CB 3.43Å; H503-V507 VanDerWaalsContact ND1-CG2 3.29Å; H503-V507 WeakPolarHBondContact ND1-CG2 3.4Å; H503-V507 WeakPolarHBondContact O-CB 3.44Å; H503-V507 PolarHBondContact O-N 3.07Å
508	H	86.5	Confident	69.7	Low	56 Å²	56	110.3 Å²	110.3	26%	0.259	54%	0.544	S	S	.	.	S	Bend	trans	-113.4	0.2	-179.6	-63.4	-81.9	0	0	0	113.3	L489 H503 M504 I510	L489-H508 VanDerWaalsContact CB-CE1 3.43Å; L489-H508 WeakPolarHBondContact CB-CE1 3.45Å; L489-H508 HydrophobicContact CD1-CB 3.85Å; H503-H508 AromaticContact CE1-CD2 3.62Å; H503-H508 AromaticContact CE1-NE2 3.47Å; H503-H508 PolarHBondContact CE1-NE2 3.11Å; H503-H508 AromaticContact NE2-CD2 3.71Å; H503-H508 AromaticContact NE2-NE2 3.53Å; M504-H508 VanDerWaalsContact CE-CD2 3.44Å; M504-H508 WeakPolarHBondContact CE-CD2 3.42Å; M504-H508 CarbonylContact O-C 3.59Å; M504-H508 WeakPolarHBondContact O-CA 3.37Å; M504-H508 WeakPolarHBondContact O-CB 3.26Å; M504-H508 PolarHBondContact O-N 2.91Å; H508-I510 HydrophobicContact CB-CD1 4.39Å; H508-I510 HydrophobicContact CB-CG1 4.28Å; H508-I510 PolarHBondContact O-N 2.8Å; H508-I510 VanDerWaalsContact O-N 3.09Å
509	K	81.3	Confident	67	Low	166 Å²	166	108.1 Å²	108.1	72%	0.722	55%	0.551	S	S	*	*			trans	50.9	27.1	-176.1	-95	-171.6	172.9	-174.2	0	114.5	M504 R505 Y511	M504-K509 PolarHBondContact O-N 2.98Å; R505-K509 WeakPolarHBondContact O-CA 3.34Å; K509-Y511 HydrophobicContact CB-CE2 4.5Å; K509-Y511 HydrophobicContact CG-CE2 4.43Å; K509-Y511 WeakPolarHBondContact O-CD2 3.49Å; K509-Y511 WeakPolarHBondContact O-CE2 3.33Å
510	I	77.6	Confident	64.2	Low	78 Å²	78	108.3 Å²	108.3	40%	0.4	57%	0.573	S	S	.	*			trans	-87.3	114.6	176.3	-63.1	179.8	0	0	0	109.5	L489 M504 R505 H508	L489-I510 HydrophobicContact CD1-CD1 3.56Å; M504-I510 HydrophobicContact CB-CB 4.42Å; M504-I510 PolarHBondContact O-N 2.82Å; R505-I510 WeakPolarHBondContact CA-O 3.29Å; H508-I510 HydrophobicContact CB-CD1 4.39Å; H508-I510 HydrophobicContact CB-CG1 4.28Å; H508-I510 PolarHBondContact O-N 2.8Å; H508-I510 VanDerWaalsContact O-N 3.09Å
511	Y	68.8	Low	61.3	Low	143 Å²	143	114.4 Å²	114.4	56%	0.561	61%	0.611	S	S	*	*			trans	-103.9	110.5	171	-61	-107.6	0	0	0	107.1	R505 K509 V513	R505-Y511 HydrophobicContact CG-CD1 3.73Å; R505-Y511 HydrophobicContact CG-CD2 4.48Å; R505-Y511 HydrophobicContact CG-CE1 3.5Å; R505-Y511 VanDerWaalsContact CG-CE1 3.5Å; R505-Y511 HydrophobicContact CG-CE2 4.25Å; R505-Y511 HydrophobicContact CG-CG 4.22Å; K509-Y511 HydrophobicContact CB-CE2 4.5Å; K509-Y511 HydrophobicContact CG-CE2 4.43Å; K509-Y511 WeakPolarHBondContact O-CD2 3.49Å; K509-Y511 WeakPolarHBondContact O-CE2 3.33Å; Y511-V513 PolarHBondContact O-N 3.29Å; Y511-V513 VanDerWaalsContact O-N 3.12Å
512	S	65.8	Low	58.9	Low	99 Å²	99	114.3 Å²	114.3	69%	0.692	62%	0.624	S	S	*	*			trans	-68.2	109.2	179.1	-53.5	0	0	0	0	110.5
513	V	38.3	Very low	56	Low	132 Å²	132	112.8 Å²	112.8	80%	0.8	64%	0.637	S	S	*	*			trans	-71.1	145.7	166.6	-175.9	0	0	0	0	108.9	Y511	Y511-V513 PolarHBondContact O-N 3.29Å; Y511-V513 VanDerWaalsContact O-N 3.12Å
514	R	46	Very low	54.1	Low	209 Å²	209	118 Å²	118	79%	0.789	67%	0.671	S	S	*	*			trans	-109.5	114.5	169.5	170.7	-176.9	170	167.3	-0.5	107.8	N516	R514-N516 PolarHBondContact NE-OD1 3.03Å; R514-N516 PolarHBondContact NH2-OD1 3.47Å
515	S	28.3	Very low	51.3	Low	109 Å²	109	121.4 Å²	121.4	76%	0.762	70%	0.704	S	S	*	*			trans	-90.9	131	161.5	-55.8	0	0	0	0	108.7
516	N	31.6	Very low	48.4	Very low	121 Å²	121	118.9 Å²	118.9	65%	0.647	71%	0.714	S	S	*	*			trans	-82.5	146.6	157.3	-76.3	-5.5	0	0	0	107.9	R514	R514-N516 PolarHBondContact NE-OD1 3.03Å; R514-N516 PolarHBondContact NH2-OD1 3.47Å
517	K	31.8	Very low	45.6	Very low	207 Å²	207	119.2 Å²	119.2	90%	0.9	73%	0.726	S	S	*	*			trans	-148.5	120.3	148.9	-139.2	-164.9	175.3	-175	0	108.5
518	S	34.4	Very low	42.8	Very low	114 Å²	114	119.8 Å²	119.8	80%	0.797	74%	0.741	S	S	*	*			trans	-68.3	162.4	151.8	35.3	0	0	0	0	108.5
519	G	30.2	Very low	40	Very low	77 Å²	77	122.4 Å²	122.4	79%	0.794	77%	0.765	S	S	*	*			cis	156.2	156.1	1.3	0	0	0	0	0	107.5
520	G	27.4	Very low	37.4	Very low	83 Å²	83	120.1 Å²	120.1	86%	0.856	77%	0.77	S	S	*	*			trans	139.8	130.8	173.4	0	0	0	0	0	115.4
521	T	30.3	Very low	35.1	Very low	140 Å²	140	120.4 Å²	120.4	86%	0.859	78%	0.784	S	S	*	*			trans	-127.4	135.2	163.4	40.6	0	0	0	0	107.2
522	P	35.9	Very low	33	Very low	126 Å²	126	120.7 Å²	120.7	82%	0.818	80%	0.795	S	S	*	*			trans	-96.7	151.1	175.8	36.4	-32.2	0	0	0	112.6
523	S	24.2	Very low	31.2	Very low	121 Å²	121	121.3 Å²	121.3	85%	0.846	79%	0.794	S	S	*	*			trans	-157.4	162.1	159.6	-112.7	0	0	0	0	108.8
524	P	50.3	Low	30.5	Very low	123 Å²	123	120.3 Å²	120.3	80%	0.799	79%	0.794	S	S	*	*			trans	-120.1	165	-130.5	41.7	-35.4	0	0	0	116.7
525	A	26.5	Very low	29.6	Very low	99 Å²	99	117.4 Å²	117.4	82%	0.818	79%	0.793	S	S	*	*			trans	-159.8	146.2	152.6	0	0	0	0	0	113
526	A	28.2	Very low	29.6	Very low	89 Å²	89	116.4 Å²	116.4	74%	0.736	79%	0.786	S	S	*	*			trans	32.1	114.3	150.6	0	0	0	0	0	122.7
527	S	27.2	Very low	29.5	Very low	122 Å²	122	117.2 Å²	117.2	85%	0.853	79%	0.79	S	S	*	*				41.6	111	116	-46.8	0	0	0	0	121.7
528	A	28.6	Very low	29.3	Very low	102 Å²	102	114.2 Å²	114.2	84%	0.843	78%	0.784	S	S	*	*				-172.4	148.2	118.6	0	0	0	0	0	113.1
529	S	27.4	Very low	28.9	Very low	111 Å²	111	115 Å²	115	78%	0.776	78%	0.784	S	S	*	*			trans	-62	158.9	160.9	33.1	0	0	0	0	111.8
530	S	27.1	Very low	28.6	Very low	118 Å²	118	121.9 Å²	121.9	83%	0.825	79%	0.786	S	S	*	*			cis	-149.7	176.5	15.1	-123.2	0	0	0	0	113
531	A	28.6	Very low	28.6	Very low	84 Å²	84	124.4 Å²	124.4	69%	0.694	78%	0.784	S	S	*	*			trans	-70.5	175.6	170.1	0	0	0	0	0	111.6
532	N	25.5	Very low	28.4	Very low	149 Å²	149	127.6 Å²	127.6	80%	0.797	79%	0.786	S	S	*	*			cis	-155.4	161	21.9	-146.8	-4.6	0	0	0	115.7
533	V	27.9	Very low	28.1	Very low	111 Å²	111	129.3 Å²	129.3	67%	0.673	78%	0.783	S	S	*	*			trans	-35.4	138.9	165.2	170.9	0	0	0	0	116
534	S	23.8	Very low	28.3	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	78%	0.782	S	S	*	*				-165.6	156.3	127.4	-90.2	0	0	0	0	117.6
535	L	26.5	Very low	27.1	Very low	147 Å²	147	130.5 Å²	130.5	77%	0.77	78%	0.781	S	S	*	*			trans	-43.7	166.5	164.1	-69	86	0	0	0	115.1
536	S	28.3	Very low	26.9	Very low	88 Å²	88	134.4 Å²	134.4	62%	0.615	78%	0.784	S	S	*	*			cis	-172.8	165.3	-13.8	-97.1	0	0	0	0	110.9
537	N	28.7	Very low	27.2	Very low	138 Å²	138	138 Å²	138	74%	0.738	79%	0.786	S	S	*	*			trans	62.6	125.9	145.5	-74.5	-4.2	0	0	0	122.8
538	N	29	Very low	27.7	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	78%	0.782	S	S	*	*			trans	90.1	154.4	136.3	-65.1	-20.6	0	0	0	122.2
539	V	25	Very low	27.9	Very low	130 Å²	130	137.1 Å²	137.1	79%	0.788	77%	0.771	S	S	*	*			trans	102	121.2	157.7	-170.1	0	0	0	0	118.4
540	R	23.8	Very low	28	Very low	222 Å²	222	138.2 Å²	138.2	84%	0.838	77%	0.768	S	S	*	*			trans	57.1	117.8	158.6	-79.8	179.6	163.1	-178.5	-5.9	123
541	V	28.5	Very low	28	Very low	135 Å²	135	141.1 Å²	141.1	82%	0.818	77%	0.768	S	S	*	*				34.4	118.6	105.5	-177.6	0	0	0	0	118.7
542	K	26	Very low	28.4	Very low	207 Å²	207	144.2 Å²	144.2	90%	0.9	77%	0.773	S	S	*	*				-154.7	179.4	125.7	-138.8	-166	171.5	-171.2	0	112
543	E	29.3	Very low	28.8	Very low	163 Å²	163	144.1 Å²	144.1	76%	0.762	77%	0.773	S	S	*	*			trans	-135.2	161	-164.8	-151.2	179	165.3	0	0	110.2
544	E	28.1	Very low	29	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	78%	0.78	S	S	*	*			trans	68	156.9	157.6	-66.6	-133.8	100.5	0	0	123.6
545	A	24.6	Very low	29.1	Very low	95 Å²	95	147.4 Å²	147.4	79%	0.785	78%	0.778	S	S	*	*			trans	72.6	147.9	153.6	0	0	0	0	0	120.5
546	M	23.3	Very low	29.1	Very low	180 Å²	180	144.8 Å²	144.8	89%	0.887	77%	0.772	S	S	*	*			cis	-165.2	165.1	-23	-178.5	157.1	169.8	0	0	109.3
547	E	34.3	Very low	29.7	Very low	165 Å²	165	146.1 Å²	146.1	77%	0.771	78%	0.781	S	S	*	*			trans	-56.6	165.2	168.1	-60	-71.2	129.7	0	0	113.4
548	P	37.2	Very low	30.9	Very low	119 Å²	119	145 Å²	145	77%	0.773	78%	0.781	S	S	*	*				-145.7	143.5	100.5	38.2	-23.3	0	0	0	117.5
549	S	32.5	Very low	30.8	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	78%	0.781	S	S	*	*			trans	38.7	127.8	130.6	-76.6	0	0	0	0	124.7
550	D	29.1	Very low	31.8	Very low	133 Å²	133	142.2 Å²	142.2	71%	0.711	78%	0.782	S	S	*	*				64.8	166.2	120.1	-43	-36	0	0	0	118.8
551	E	29.1	Very low	32.2	Very low	179 Å²	179	136.9 Å²	136.9	84%	0.836	78%	0.778	S	S	*	*			cis	-146.6	-167.7	13.8	27.9	-155.3	77.9	0	0	112.1
552	D	36.5	Very low	33.2	Very low	149 Å²	149	136.5 Å²	136.5	80%	0.797	78%	0.779	S	S	*	*			trans	-83	-165.3	-153.6	-53.3	-98.4	0	0	0	117.8
553	D	33.5	Very low	33.5	Very low	148 Å²	148	131.4 Å²	131.4	79%	0.791	77%	0.769	S	S	*	*			cis	-154.8	157.3	42.2	-75.3	-53	0	0	0	115.8
554	D	32.9	Very low	33.4	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	78%	0.776	S	S	*	*			trans	36.1	155.9	147.1	-76.8	-40.1	0	0	0	124.6
555	D	24.5	Very low	33.6	Very low	138 Å²	138	128.2 Å²	128.2	74%	0.738	77%	0.771	S	S	*	*			cis	-154.3	165.7	34.8	174	48.3	0	0	0	115.5
556	S	27	Very low	33.9	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	78%	0.778	S	S	*	*			trans	81.1	138.3	155.2	-86.9	0	0	0	0	122
557	S	41.4	Very low	34	Very low	116 Å²	116	126.9 Å²	126.9	81%	0.811	77%	0.772	S	S	*	*			trans	-153.4	-153.7	-177.7	-67.4	0	0	0	0	108.4
558	P	53.7	Low	33.7	Very low	115 Å²	115	126.1 Å²	126.1	75%	0.747	78%	0.779	S	S	*	*			cis	-139.3	166.7	-16.7	41.8	-24.6	0	0	0	116.9
559	A	26	Very low	33.3	Very low	94 Å²	94	125.1 Å²	125.1	78%	0.777	78%	0.781	S	S	*	*			trans	63.8	174.8	136.1	0	0	0	0	0	120.5
560	P	46.7	Very low	33.1	Very low	122 Å²	122	133.3 Å²	133.3	79%	0.792	80%	0.798	S	S	*	*			cis	-131.4	174.4	2.6	43.1	-26.9	0	0	0	118.2
561	S	31.5	Very low	32.9	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	80%	0.803	S	S	*	*			trans	-115	-172.1	161.6	-53	0	0	0	0	109.1
562	P	50.4	Low	32.8	Very low	128 Å²	128	129.1 Å²	129.1	83%	0.831	81%	0.805	S	S	*	*				-153.7	-173.9	76.4	40.4	-19.1	0	0	0	116.4
563	S	31.1	Very low	33.3	Very low	100 Å²	100	126.8 Å²	126.8	70%	0.699	80%	0.798	S	S	*	*			trans	-118	178.2	174.5	-51.5	0	0	0	0	110.6
564	N	28.5	Very low	33.1	Very low	167 Å²	167	128.2 Å²	128.2	89%	0.893	80%	0.8	S	S	*	*				168.7	175.6	125.3	-84.8	-10.4	0	0	0	114.8
565	S	31.4	Very low	32.8	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	80%	0.795	S	S	*	*			trans	-151	162.8	-173.7	55.8	0	0	0	0	114.1
566	N	31.5	Very low	32.9	Very low	172 Å²	172	124.6 Å²	124.6	92%	0.92	80%	0.797	S	S	*	*			trans	71.5	139.5	165.3	-72.7	10.4	0	0	0	121.4
567	G	26.1	Very low	33	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	80%	0.804	S	S	*	*			trans	-173.1	158.7	170.1	0	0	0	0	0	109.8
568	T	27.7	Very low	32.3	Very low	150 Å²	150	130.9 Å²	130.9	92%	0.92	81%	0.805	S	S	*	*			trans	-134.5	155.8	-165.8	34.3	0	0	0	0	116
569	A	27.8	Very low	31	Very low	98 Å²	98	131 Å²	131	81%	0.81	80%	0.803	S	S	*	*			trans	100	140.2	153.1	0	0	0	0	0	120.9
570	R	29.7	Very low	31	Very low	258 Å²	258	134.6 Å²	134.6	97%	0.974	80%	0.801	S	S	*	*			trans	8.5	127	164.3	-61.5	-178.1	174.3	-163.3	-1.7	120.8
571	G	23.8	Very low	30	Very low	78 Å²	78	135.5 Å²	135.5	80%	0.804	80%	0.795	S	S	*	*			trans	172.2	135.6	156.7	0	0	0	0	0	115.1
572	V	28	Very low	29.8	Very low	146 Å²	146	138 Å²	138	89%	0.885	79%	0.794	S	S	*	*			trans	-154.7	145	179.2	158.7	0	0	0	0	105.7
573	P	47	Very low	28.5	Very low	101 Å²	101	140.2 Å²	140.2	66%	0.656	79%	0.794	S	S	*	*			cis	-137	-163.1	23.6	41.1	-20.7	0	0	0	116.9
574	Q	28.2	Very low	28.2	Very low	178 Å²	178	140.3 Å²	140.3	83%	0.832	79%	0.794	S	S	*	*			trans	72.9	119.4	160.3	-75.2	170.9	-57.2	0	0	117.9
575	A	27.2	Very low	28.7	Very low	88 Å²	88	138 Å²	138	73%	0.727	79%	0.788	S	S	*	*				86.5	135.8	68.2	0	0	0	0	0	111.9
576	V	25.8	Very low	28.3	Very low	127 Å²	127	138.4 Å²	138.4	77%	0.77	79%	0.791	S	S	*	*				-154.7	150	51.5	160.5	0	0	0	0	113.1
577	L	30.1	Very low	28	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	78%	0.782	S	S	*	*			trans	8.2	142.8	155.4	-51.4	171.6	0	0	0	120.5
578	K	25.4	Very low	29	Very low	191 Å²	191	137.1 Å²	137.1	83%	0.83	78%	0.781	S	S	*	*				-169.1	126.8	70.1	-136.7	150.6	177	178.2	0	109.2
579	V	27.2	Very low	28.8	Very low	117 Å²	117	139.5 Å²	139.5	71%	0.709	78%	0.779	S	S	*	*				60.5	126.1	85.9	176.9	0	0	0	0	112.4
580	K	26	Very low	29	Very low	170 Å²	170	141.2 Å²	141.2	74%	0.739	78%	0.779	S	S	*	*			cis	-156.9	154.8	45.5	-151.7	-179.9	173.7	-172.6	0	116.5
581	E	26.4	Very low	29.4	Very low	141 Å²	141	134.3 Å²	134.3	66%	0.659	77%	0.768	S	S	*	*			trans	-1.7	137.3	156.8	-65.3	151.9	75.5	0	0	122.6
582	E	25.5	Very low	29.6	Very low	161 Å²	161	136 Å²	136	75%	0.752	77%	0.767	S	S	*	*				84.3	159.7	102.2	-64.8	-66.2	165.3	0	0	115
583	E	24.2	Very low	29.5	Very low	176 Å²	176	134.7 Å²	134.7	82%	0.822	76%	0.764	S	S	*	*			cis	-140.3	-178.4	3.8	-154	178.4	75.1	0	0	111
584	S	24.5	Very low	28.6	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	77%	0.769	S	S	*	*			trans	-89.4	-158.7	169.6	-60.9	0	0	0	0	110.7
585	P	40.1	Very low	28.7	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	77%	0.767	S	S	*	*			cis	-141.4	-166.5	-5.9	43.4	-23.2	0	0	0	116.7
586	S	21.6	Very low	28.9	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	77%	0.766	S	S	*	*			trans	109.2	161.9	147	-149.4	0	0	0	0	120.6
587	S	25.8	Very low	29.3	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	77%	0.767	S	S	*	*			trans	-133.6	-162.4	-176.2	-59.5	0	0	0	0	108.2
588	P	46.5	Very low	29.6	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	76%	0.764	S	S	*	*			cis	-143.2	-160	-0.2	39.7	-16.1	0	0	0	115.5
589	K	23.7	Very low	30.1	Very low	200 Å²	200	132.8 Å²	132.8	87%	0.87	77%	0.767	S	S	*	*			trans	116.2	152.7	157.3	-72.4	-176.7	173.2	174.5	0	119.7
590	V	32.1	Very low	30.2	Very low	133 Å²	133	131.2 Å²	131.2	81%	0.806	78%	0.775	S	S	*	*			trans	-140.4	161.1	177.8	-63.9	0	0	0	0	108.3
591	P	37.5	Very low	30.5	Very low	114 Å²	114	127 Å²	127	74%	0.74	78%	0.78	S	S	*	*				-160.5	158.3	90.2	41	-20	0	0	0	120.1
592	S	28.1	Very low	31.1	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	79%	0.788	S	S	*	*			trans	38.4	137.2	136.1	-52.3	0	0	0	0	126.5
593	S	27.1	Very low	31.7	Very low	118 Å²	118	121.2 Å²	121.2	83%	0.825	78%	0.777	S	S	*	*			trans	-164.1	126.9	134.3	2.7	0	0	0	0	116.4
594	T	28.7	Very low	32.3	Very low	124 Å²	124	122.8 Å²	122.8	76%	0.761	78%	0.777	S	S	*	*			trans	15	122.1	146.3	45.5	0	0	0	0	121.7
595	S	30.3	Very low	33.2	Very low	111 Å²	111	123 Å²	123	78%	0.776	77%	0.773	S	S	*	*				78.6	143.8	72.4	86.5	0	0	0	0	115.4
596	S	30.8	Very low	33.3	Very low	103 Å²	103	122.3 Å²	122.3	72%	0.72	76%	0.764	S	S	*	*			cis	-162	170	30.6	64.5	0	0	0	0	115.2
597	S	34.3	Very low	34.4	Very low	111 Å²	111	123.1 Å²	123.1	78%	0.776	76%	0.757	S	S	*	*			trans	26.5	144.7	143.5	-63.8	0	0	0	0	122.1
598	S	36	Very low	35.5	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	75%	0.746	S	S	*	*			cis	-178	-172	-2.7	51.9	0	0	0	0	107.2
599	R	36.8	Very low	35.8	Very low	242 Å²	242	118.4 Å²	118.4	91%	0.913	73%	0.734	S	S	*	*			cis	-146.1	-168.1	10.6	-51.3	174.1	101.9	155.2	3.6	108.1
600	G	27.7	Very low	37.3	Very low	85 Å²	85	114.5 Å²	114.5	88%	0.876	72%	0.716	S	S	*	*			trans	108.5	49.7	145.4	0	0	0	0	0	120.3
601	G	32.8	Very low	38.6	Very low	82 Å²	82	112 Å²	112	85%	0.845	70%	0.698	S	S	*	*			trans	-148.9	88.5	176.5	0	0	0	0	0	115.9
602	S	38.4	Very low	39.6	Very low	117 Å²	117	110.2 Å²	110.2	82%	0.818	69%	0.689	S	S	*	*			trans	-136.8	95.2	171.2	-169	0	0	0	0	111.8
603	A	39.6	Very low	41.1	Very low	62 Å²	62	110.2 Å²	110.2	51%	0.512	67%	0.674	S	S	.	*	S	Bend	trans	-162.8	-39.2	174.9	0	0	0	0	0	112.6
604	Y	37.1	Very low	42.6	Very low	210 Å²	210	106.2 Å²	106.2	82%	0.824	64%	0.644	S	S	*	*	H	α-helix	trans	-76.8	-28.6	-168.8	-66.5	-76.5	0	0	0	114.7	N606 M607	Y604-N606 PolarHBondContact O-N 3.47Å; Y604-M607 PolarHBondContact O-N 2.91Å
605	T	42.4	Very low	44.2	Very low	104 Å²	104	103.2 Å²	103.2	64%	0.638	63%	0.627	S	S	*	*	H	α-helix	trans	-60.6	-43.5	179	48.8	0	0	0	0	112.5	M607 A608 A609	T605-M607 PolarHBondContact O-N 3.17Å; T605-A608 PolarHBondContact O-N 2.86Å; T605-A608 VanDerWaalsContact O-N 3.1Å; T605-A609 PolarHBondContact O-N 3.44Å
606	N	42.3	Very low	45.7	Very low	105 Å²	105	102 Å²	102	56%	0.561	62%	0.615	S	S	*	*	H	α-helix	trans	-61.4	-29.8	-178.6	-116.6	-53	0	0	0	113.3	Y604 K610	Y604-N606 PolarHBondContact O-N 3.47Å; N606-K610 WeakPolarHBondContact O-CG 3.38Å; N606-K610 PolarHBondContact O-N 3.08Å
607	M	44.5	Very low	47.3	Very low	130 Å²	130	97.1 Å²	97.1	64%	0.64	58%	0.582	S	S	*	*	H	α-helix	trans	-74	-35.8	176.5	-66.2	-65.3	-178.3	0	0	112.2	Y604 T605 K610 L611	Y604-M607 PolarHBondContact O-N 2.91Å; T605-M607 PolarHBondContact O-N 3.17Å; M607-K610 PolarHBondContact O-N 3.08Å; M607-L611 WeakPolarHBondContact O-CB 3.42Å; M607-L611 WeakPolarHBondContact O-CG 3.49Å; M607-L611 PolarHBondContact O-N 3.41Å
608	A	48.2	Very low	49.4	Very low	62 Å²	62	91.9 Å²	91.9	51%	0.512	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-44.8	177.3	0	0	0	0	0	111.7	T605 K610 L611 S612	T605-A608 PolarHBondContact O-N 2.86Å; T605-A608 VanDerWaalsContact O-N 3.1Å; A608-K610 VanDerWaalsContact C-N 3.34Å; A608-K610 PolarHBondContact O-N 3.4Å; A608-L611 PolarHBondContact O-N 2.81Å; A608-S612 PolarHBondContact O-N 2.98Å
609	A	53.7	Low	51.5	Low	58 Å²	58	89.1 Å²	89.1	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-35.9	176.1	0	0	0	0	0	113.1	T605 S612 K613	T605-A609 PolarHBondContact O-N 3.44Å; A609-S612 PolarHBondContact O-OG 2.9Å; A609-K613 PolarHBondContact O-N 3.43Å
610	K	55.3	Low	53.5	Low	117 Å²	117	78.7 Å²	78.7	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-71.9	-36.7	173.4	-70.7	-177.4	-179.6	-171	0	112.2	N606 M607 A608 L614	N606-K610 WeakPolarHBondContact O-CG 3.38Å; N606-K610 PolarHBondContact O-N 3.08Å; M607-K610 PolarHBondContact O-N 3.08Å; A608-K610 VanDerWaalsContact C-N 3.34Å; A608-K610 PolarHBondContact O-N 3.4Å; K610-L614 WeakPolarHBondContact O-CB 3.18Å; K610-L614 WeakPolarHBondContact O-CD1 3.43Å; K610-L614 WeakPolarHBondContact O-CG 3.49Å; K610-L614 PolarHBondContact O-N 3.25Å; K610-L614 VanDerWaalsContact O-N 3.14Å
611	L	59	Low	56	Low	80 Å²	80	83.9 Å²	83.9	42%	0.419	48%	0.482	S	S	.	.	H	α-helix	trans	-66.2	-36.2	175.8	-80.4	163.7	0	0	0	113.1	M607 A608 S615 F620	M607-L611 WeakPolarHBondContact O-CB 3.42Å; M607-L611 WeakPolarHBondContact O-CG 3.49Å; M607-L611 PolarHBondContact O-N 3.41Å; A608-L611 PolarHBondContact O-N 2.81Å; L611-S615 PolarHBondContact O-N 3.14Å; L611-S615 VanDerWaalsContact O-N 3.13Å; L611-F620 HydrophobicContact CD2-CD1 4.32Å; L611-F620 HydrophobicContact CD2-CD2 4.43Å; L611-F620 HydrophobicContact CD2-CE1 3.9Å; L611-F620 HydrophobicContact CD2-CE2 4.03Å; L611-F620 HydrophobicContact CD2-CZ 3.73Å
612	S	59.1	Low	58.2	Low	78 Å²	78	85.7 Å²	85.7	55%	0.545	47%	0.468	S	S	.	.	H	α-helix	trans	-67.7	-48.4	176.5	61.7	0	0	0	0	111.9	A608 A609 L614 S615	A608-S612 PolarHBondContact O-N 2.98Å; A609-S612 PolarHBondContact O-OG 2.9Å; S612-L614 VanDerWaalsContact C-N 3.27Å; S612-L614 PolarHBondContact O-N 3.36Å; S612-S615 WeakPolarHBondContact O-CB 3.4Å; S612-S615 PolarHBondContact O-N 2.84Å
613	K	58.3	Low	60.5	Low	114 Å²	114	82 Å²	82	50%	0.496	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-33.8	177.1	-160	172.1	-173.3	-177.3	0	112.4	A609 S615 E703	A609-K613 PolarHBondContact O-N 3.43Å; K613-S615 PolarHBondContact O-N 2.95Å; K613-E703 WeakPolarHBondContact CE-OE1 3.14Å
614	L	60	Low	62.6	Low	34 Å²	34	82.2 Å²	82.2	18%	0.178	43%	0.428	C	S	.	.	H	α-helix	trans	-71.4	-23.2	173.5	-70.5	171.2	0	0	0	114.2	K610 S612 V616 G617 F618 F620 I642 T646 I651	K610-L614 WeakPolarHBondContact O-CB 3.18Å; K610-L614 WeakPolarHBondContact O-CD1 3.43Å; K610-L614 WeakPolarHBondContact O-CG 3.49Å; K610-L614 PolarHBondContact O-N 3.25Å; K610-L614 VanDerWaalsContact O-N 3.14Å; S612-L614 VanDerWaalsContact C-N 3.27Å; S612-L614 PolarHBondContact O-N 3.36Å; L614-V616 PolarHBondContact O-N 3.18Å; L614-V616 VanDerWaalsContact O-N 3.16Å; L614-G617 PolarHBondContact O-N 2.89Å; L614-F618 HydrophobicContact CB-CD2 4.46Å; L614-F618 HydrophobicContact CD2-CD2 4.25Å; L614-F618 HydrophobicContact CD2-CE2 4.23Å; L614-F618 WeakPolarHBondContact O-CD2 3.46Å; L614-F618 PolarHBondContact O-N 3.18Å; L614-F620 HydrophobicContact CB-CE2 4Å; L614-F620 HydrophobicContact CB-CZ 3.93Å; L614-F620 HydrophobicContact CD1-CZ 4.38Å; L614-I642 HydrophobicContact CD1-CG2 4.1Å; L614-I642 HydrophobicContact CD2-CG2 3.65Å; L614-I642 HydrophobicContact CG-CG2 4.5Å; L614-T646 HydrophobicContact CD2-CG2 4.09Å; L614-I651 HydrophobicContact CD2-CD1 3.93Å; L614-I651 HydrophobicContact CD2-CG1 4.39Å
615	S	61.7	Low	64.9	Low	60 Å²	60	72.2 Å²	72.2	42%	0.42	39%	0.389	S	S	.	.	H	α-helix	trans	-59.1	-28.1	-179.7	-167.2	0	0	0	0	113	L611 S612 K613 G617 F618 K626	L611-S615 PolarHBondContact O-N 3.14Å; L611-S615 VanDerWaalsContact O-N 3.13Å; S612-S615 WeakPolarHBondContact O-CB 3.4Å; S612-S615 PolarHBondContact O-N 2.84Å; K613-S615 PolarHBondContact O-N 2.95Å; S615-G617 VanDerWaalsContact C-N 3.33Å; S615-G617 PolarHBondContact O-N 3Å; S615-F618 CarbonylContact C-O 3.6Å; S615-F618 WeakPolarHBondContact CA-O 3.46Å; S615-F618 VanDerWaalsContact O-O 3.07Å; S615-K626 PolarHBondContact O-NZ 3.03Å
616	V	62.8	Low	66.6	Low	85 Å²	85	70.9 Å²	70.9	52%	0.515	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-43	175.2	-175.6	0	0	0	0	111.2	L614 K626 L706	L614-V616 PolarHBondContact O-N 3.18Å; L614-V616 VanDerWaalsContact O-N 3.16Å; V616-K626 WeakPolarHBondContact O-CD 3.37Å; V616-L706 HydrophobicContact CG1-CD1 4.02Å
617	G	64.3	Low	68.2	Low	2 Å²	2	65.9 Å²	65.9	2%	0.021	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-18.8	-178.5	0	0	0	0	0	115.7	L614 S615 K626 L627	L614-G617 PolarHBondContact O-N 2.89Å; S615-G617 VanDerWaalsContact C-N 3.33Å; S615-G617 PolarHBondContact O-N 3Å; G617-K626 WeakPolarHBondContact O-CA 3.45Å; G617-K626 WeakPolarHBondContact O-CB 3.42Å; G617-K626 PolarHBondContact O-N 3.39Å; G617-L627 PolarHBondContact O-N 3.44Å
618	F	77.6	Confident	69.5	Low	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142	-167.1	-56.8	-82.6	0	0	0	112.4	L614 S615 F620 C625 L627 L638 I642 H645 I651	L614-F618 HydrophobicContact CB-CD2 4.46Å; L614-F618 HydrophobicContact CD2-CD2 4.25Å; L614-F618 HydrophobicContact CD2-CE2 4.23Å; L614-F618 WeakPolarHBondContact O-CD2 3.46Å; L614-F618 PolarHBondContact O-N 3.18Å; S615-F618 CarbonylContact C-O 3.6Å; S615-F618 WeakPolarHBondContact CA-O 3.46Å; S615-F618 VanDerWaalsContact O-O 3.07Å; F618-F620 HydrophobicContact CB-CE2 4.23Å; F618-F620 HydrophobicContact CB-CZ 4.35Å; F618-C625 HydrophobicContact CD1-CB 3.86Å; F618-C625 HydrophobicContact CE1-CB 3.97Å; F618-L627 HydrophobicContact CE1-CD1 4.21Å; F618-L627 HydrophobicContact CE1-CG 4.29Å; F618-L627 HydrophobicContact CE2-CD1 3.77Å; F618-L627 HydrophobicContact CE2-CG 4.3Å; F618-L627 HydrophobicContact CZ-CD1 3.42Å; F618-L627 VanDerWaalsContact CZ-CD1 3.42Å; F618-L627 HydrophobicContact CZ-CG 3.94Å; F618-L638 HydrophobicContact CD1-CD1 4.19Å; F618-I642 HydrophobicContact CB-CD1 4.07Å; F618-I642 HydrophobicContact CB-CG1 4.35Å; F618-I642 HydrophobicContact CD1-CD1 4.14Å; F618-I642 HydrophobicContact CD1-CG1 3.5Å; F618-I642 HydrophobicContact CD2-CD1 4.08Å; F618-I642 HydrophobicContact CD2-CG1 3.76Å; F618-I642 HydrophobicContact CD2-CG2 4.35Å; F618-I642 HydrophobicContact CE1-CB 4.43Å; F618-I642 HydrophobicContact CE1-CG1 3.61Å; F618-I642 HydrophobicContact CE2-CB 4.35Å; F618-I642 HydrophobicContact CE2-CG1 3.86Å; F618-I642 HydrophobicContact CE2-CG2 3.96Å; F618-I642 HydrophobicContact CG-CD1 3.82Å; F618-I642 HydrophobicContact CG-CG1 3.59Å; F618-I642 HydrophobicContact CZ-CB 4.23Å; F618-I642 HydrophobicContact CZ-CG1 3.78Å; F618-I642 HydrophobicContact CZ-CG2 4.24Å; F618-H645 HydrophobicContact CZ-CB 3.86Å; F618-I651 HydrophobicContact CE2-CG2 4.35Å
619	D	79.3	Confident	70.9	Confident	44 Å²	44	64.4 Å²	64.4	24%	0.235	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	105.3	174.9	-170.3	-31.5	0	0	0	110.1	K621 Q622 L623 F624 L638	D619-K621 VanDerWaalsContact C-N 3.31Å; D619-K621 WeakPolarHBondContact OD1-CA 3.21Å; D619-K621 WeakPolarHBondContact OD1-CB 3.34Å; D619-K621 PolarHBondContact OD1-N 2.85Å; D619-Q622 HydrophobicContact CB-CB 4.28Å; D619-Q622 PolarHBondContact OD1-N 3.43Å; D619-Q622 WeakPolarHBondContact OD2-CG 3.28Å; D619-L623 CarbonylContact O-C 3.54Å; D619-L623 WeakPolarHBondContact O-CA 3.3Å; D619-L623 PolarHBondContact O-N 2.84Å; D619-L623 VanDerWaalsContact O-N 3.09Å; D619-F624 HydrophobicContact CB-CB 4.29Å; D619-F624 PolarHBondContact N-O 2.72Å; D619-F624 PolarHBondContact O-N 2.91Å; D619-L638 WeakPolarHBondContact O-CD2 3.44Å
620	F	79.6	Confident	71.9	Confident	24 Å²	24	68.7 Å²	68.7	11%	0.105	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.3	179.2	-61.9	-84.5	0	0	0	114.1	L611 L614 F618 R635 L638 I642	L611-F620 HydrophobicContact CD2-CD1 4.32Å; L611-F620 HydrophobicContact CD2-CD2 4.43Å; L611-F620 HydrophobicContact CD2-CE1 3.9Å; L611-F620 HydrophobicContact CD2-CE2 4.03Å; L611-F620 HydrophobicContact CD2-CZ 3.73Å; L614-F620 HydrophobicContact CB-CE2 4Å; L614-F620 HydrophobicContact CB-CZ 3.93Å; L614-F620 HydrophobicContact CD1-CZ 4.38Å; F618-F620 HydrophobicContact CB-CE2 4.23Å; F618-F620 HydrophobicContact CB-CZ 4.35Å; F620-R635 PolarHBondContact O-NE 3.05Å; F620-R635 PolarHBondContact O-NH2 3.05Å; F620-L638 HydrophobicContact CD1-CD2 3.97Å; F620-L638 HydrophobicContact CE1-CD2 4.4Å; F620-L638 HydrophobicContact CG-CD2 4.49Å; F620-I642 HydrophobicContact CE1-CD1 3.39Å; F620-I642 HydrophobicContact CZ-CD1 3.45Å; F620-I642 VanDerWaalsContact CZ-CD1 3.45Å
621	K	80.2	Confident	73.4	Confident	194 Å²	194	69.4 Å²	69.4	84%	0.843	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-52.1	171.9	-62.8	-176.4	178.8	-177.2	0	109.9	D619 L623	D619-K621 VanDerWaalsContact C-N 3.31Å; D619-K621 WeakPolarHBondContact OD1-CA 3.21Å; D619-K621 WeakPolarHBondContact OD1-CB 3.34Å; D619-K621 PolarHBondContact OD1-N 2.85Å; K621-L623 VanDerWaalsContact C-N 3.26Å; K621-L623 PolarHBondContact O-N 3.18Å
622	Q	79.6	Confident	74.7	Confident	120 Å²	120	66.7 Å²	66.7	56%	0.561	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.3	179	-64.5	-64.1	-15	0	0	114.5	D619 F624 Q631	D619-Q622 HydrophobicContact CB-CB 4.28Å; D619-Q622 PolarHBondContact OD1-N 3.43Å; D619-Q622 WeakPolarHBondContact OD2-CG 3.28Å; Q622-F624 HydrophobicContact CB-CB 4.08Å; Q622-F624 PolarHBondContact O-N 3.03Å; Q622-Q631 PolarHBondContact O-NE2 3.09Å
623	L	86.6	Confident	75.9	Confident	39 Å²	39	68.2 Å²	68.2	20%	0.204	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.2	-175.4	-55.8	-179.7	0	0	0	112.3	D619 K621 Q631 F632 R635	D619-L623 CarbonylContact O-C 3.54Å; D619-L623 WeakPolarHBondContact O-CA 3.3Å; D619-L623 PolarHBondContact O-N 2.84Å; D619-L623 VanDerWaalsContact O-N 3.09Å; K621-L623 VanDerWaalsContact C-N 3.26Å; K621-L623 PolarHBondContact O-N 3.18Å; L623-Q631 CarbonylContact O-C 3.56Å; L623-Q631 WeakPolarHBondContact O-CA 3.38Å; L623-F632 HydrophobicContact CB-CB 4.48Å; L623-F632 VanDerWaalsContact CB-O 3.24Å; L623-F632 WeakPolarHBondContact CB-O 3.47Å; L623-F632 WeakPolarHBondContact CD1-O 3.44Å; L623-F632 PolarHBondContact O-N 3.06Å; L623-R635 HydrophobicContact CD2-CB 3.95Å
624	F	83.8	Confident	77.3	Confident	66 Å²	66	64.2 Å²	64.2	29%	0.289	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128	-165.4	176.5	-96.5	0	0	0	112.5	D619 Q622 K626 K629 Q631	D619-F624 HydrophobicContact CB-CB 4.29Å; D619-F624 PolarHBondContact N-O 2.72Å; D619-F624 PolarHBondContact O-N 2.91Å; Q622-F624 HydrophobicContact CB-CB 4.08Å; Q622-F624 PolarHBondContact O-N 3.03Å; F624-K626 HydrophobicContact CD1-CG 4.16Å; F624-K626 HydrophobicContact CE1-CB 4.44Å; F624-K626 HydrophobicContact CE1-CG 4.24Å; F624-K629 HydrophobicContact CE2-CB 4.44Å; F624-K629 HydrophobicContact CZ-CB 4.08Å; F624-K629 HydrophobicContact CZ-CG 4.26Å; F624-Q631 HydrophobicContact CD2-CB 4.26Å
625	C	84.4	Confident	78.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	112.1	173	156	0	0	0	0	110.4	F618 C628 K629 R630 F632 L638 H641	F618-C625 HydrophobicContact CD1-CB 3.86Å; F618-C625 HydrophobicContact CE1-CB 3.97Å; C625-C628 WeakPolarHBondContact CB-SG 3.37Å; C625-C628 WeakPolarHBondContact SG-CB 3.39Å; C625-C628 PolarHBondContact SG-N 3.03Å; C625-C628 CovalentContact SG-SG 2.05Å; C625-C628 PolarHBondContact SG-SG 3.43Å; C625-K629 WeakPolarHBondContact O-CA 3.28Å; C625-K629 PolarHBondContact O-N 3.24Å; C625-R630 PolarHBondContact N-O 3.16Å; C625-R630 PolarHBondContact O-N 2.93Å; C625-F632 HydrophobicContact CB-CE2 4.15Å; C625-L638 HydrophobicContact CB-CD1 4.13Å; C625-H641 PolarHBondContact SG-NE2 3.02Å
626	K	78.3	Confident	79.6	Confident	77 Å²	77	72 Å²	72	34%	0.335	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-37.2	178.6	-49.7	169.5	-179.2	169.3	0	110.6	S615 V616 G617 F624 C628	S615-K626 PolarHBondContact O-NZ 3.03Å; V616-K626 WeakPolarHBondContact O-CD 3.37Å; G617-K626 WeakPolarHBondContact O-CA 3.45Å; G617-K626 WeakPolarHBondContact O-CB 3.42Å; G617-K626 PolarHBondContact O-N 3.39Å; F624-K626 HydrophobicContact CD1-CG 4.16Å; F624-K626 HydrophobicContact CE1-CB 4.44Å; F624-K626 HydrophobicContact CE1-CG 4.24Å; K626-C628 VanDerWaalsContact C-N 3.29Å; K626-C628 PolarHBondContact O-N 3.29Å
627	L	75.9	Confident	80.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.7	179.4	-51.3	-170.1	0	0	0	113.5	G617 F618 H645 I651 I653 R666 A702 L706	G617-L627 PolarHBondContact O-N 3.44Å; F618-L627 HydrophobicContact CE1-CD1 4.21Å; F618-L627 HydrophobicContact CE1-CG 4.29Å; F618-L627 HydrophobicContact CE2-CD1 3.77Å; F618-L627 HydrophobicContact CE2-CG 4.3Å; F618-L627 HydrophobicContact CZ-CD1 3.42Å; F618-L627 VanDerWaalsContact CZ-CD1 3.42Å; F618-L627 HydrophobicContact CZ-CG 3.94Å; L627-H645 HydrophobicContact CD1-CB 4.14Å; L627-I651 HydrophobicContact CD1-CG2 3.51Å; L627-I653 HydrophobicContact CB-CD1 4.35Å; L627-I653 HydrophobicContact CB-CG1 4.4Å; L627-I653 HydrophobicContact CD1-CG1 4.26Å; L627-I653 HydrophobicContact CD2-CD1 4.07Å; L627-R666 WeakPolarHBondContact O-CD 3.38Å; L627-R666 PolarHBondContact O-NH1 3.22Å; L627-A702 HydrophobicContact CD1-CB 4.42Å; L627-A702 HydrophobicContact CD2-CB 4.2Å; L627-L706 HydrophobicContact CD2-CD1 4.05Å
628	C	72.3	Confident	81.6	Confident	12 Å²	12	71.4 Å²	71.4	8%	0.081	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-2.5	-169.8	69.9	0	0	0	0	113.8	C625 K626 H641 R667	C625-C628 WeakPolarHBondContact CB-SG 3.37Å; C625-C628 WeakPolarHBondContact SG-CB 3.39Å; C625-C628 PolarHBondContact SG-N 3.03Å; C625-C628 CovalentContact SG-SG 2.05Å; C625-C628 PolarHBondContact SG-SG 3.43Å; K626-C628 VanDerWaalsContact C-N 3.29Å; K626-C628 PolarHBondContact O-N 3.29Å; C628-H641 PolarHBondContact SG-NE2 3.2Å; C628-R667 PolarHBondContact O-NE 3.43Å; C628-R667 VanDerWaalsContact O-NE 3.16Å; C628-R667 PolarHBondContact O-NH2 3.14Å
629	K	77.3	Confident	81.9	Confident	149 Å²	149	74.2 Å²	74.2	65%	0.648	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	64.3	-172.9	-58.7	-170.2	179.8	-171.1	0	112	F624 C625 R667	F624-K629 HydrophobicContact CE2-CB 4.44Å; F624-K629 HydrophobicContact CZ-CB 4.08Å; F624-K629 HydrophobicContact CZ-CG 4.26Å; C625-K629 WeakPolarHBondContact O-CA 3.28Å; C625-K629 PolarHBondContact O-N 3.24Å; K629-R667 PolarHBondContact O-NH2 3.06Å; K629-R667 VanDerWaalsContact O-NH2 3.13Å
630	R	75.7	Confident	82	Confident	148 Å²	148	79 Å²	79	56%	0.558	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.6	177.9	-179.8	174.9	167.1	177.5	-2.9	111	C625 F632	C625-R630 PolarHBondContact N-O 3.16Å; C625-R630 PolarHBondContact O-N 2.93Å; R630-F632 HydrophobicContact CB-CE2 3.93Å; R630-F632 HydrophobicContact CB-CZ 4.29Å; R630-F632 HydrophobicContact CG-CD2 4.31Å; R630-F632 HydrophobicContact CG-CE1 4.45Å; R630-F632 HydrophobicContact CG-CE2 3.62Å; R630-F632 HydrophobicContact CG-CZ 3.7Å; R630-F632 VanDerWaalsContact NE-CZ 3.3Å; R630-F632 WeakPolarHBondContact O-CD2 3.44Å; R630-F632 WeakPolarHBondContact O-CE2 3.28Å
631	Q	86.5	Confident	82.1	Confident	131 Å²	131	78.7 Å²	78.7	61%	0.612	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	152.4	171.7	-158	174.7	24.9	0	0	111.1	Q622 L623 F624	Q622-Q631 PolarHBondContact O-NE2 3.09Å; L623-Q631 CarbonylContact O-C 3.56Å; L623-Q631 WeakPolarHBondContact O-CA 3.38Å; F624-Q631 HydrophobicContact CD2-CB 4.26Å
632	F	85.8	Confident	82.1	Confident	24 Å²	24	69.9 Å²	69.9	11%	0.105	33%	0.332	C	S	.	.			trans	-129.2	152.7	-177.2	-67.9	-93.9	0	0	0	111.1	L623 C625 R630 N637 L638 H641	L623-F632 HydrophobicContact CB-CB 4.48Å; L623-F632 VanDerWaalsContact CB-O 3.24Å; L623-F632 WeakPolarHBondContact CB-O 3.47Å; L623-F632 WeakPolarHBondContact CD1-O 3.44Å; L623-F632 PolarHBondContact O-N 3.06Å; C625-F632 HydrophobicContact CB-CE2 4.15Å; R630-F632 HydrophobicContact CB-CE2 3.93Å; R630-F632 HydrophobicContact CB-CZ 4.29Å; R630-F632 HydrophobicContact CG-CD2 4.31Å; R630-F632 HydrophobicContact CG-CE1 4.45Å; R630-F632 HydrophobicContact CG-CE2 3.62Å; R630-F632 HydrophobicContact CG-CZ 3.7Å; R630-F632 VanDerWaalsContact NE-CZ 3.3Å; R630-F632 WeakPolarHBondContact O-CD2 3.44Å; R630-F632 WeakPolarHBondContact O-CE2 3.28Å; F632-N637 HydrophobicContact CB-CB 4.27Å; F632-N637 HydrophobicContact CD1-CB 4.02Å; F632-N637 WeakPolarHBondContact CD1-O 3.33Å; F632-L638 HydrophobicContact CB-CB 4.39Å; F632-L638 HydrophobicContact CD2-CB 4.42Å; F632-L638 HydrophobicContact CD2-CD1 3.77Å; F632-L638 HydrophobicContact CE2-CD1 4.05Å; F632-L638 HydrophobicContact CG-CB 4.44Å; F632-H641 HydrophobicContact CE1-CB 3.77Å; F632-H641 AromaticContact CE1-CG 3.92Å; F632-H641 HydrophobicContact CE2-CB 4.26Å; F632-H641 AromaticContact CE2-CD2 3.27Å; F632-H641 WeakPolarHBondContact CE2-CD2 3.48Å; F632-H641 AromaticContact CE2-CG 3.85Å; F632-H641 HydrophobicContact CZ-CB 3.55Å; F632-H641 AromaticContact CZ-CD2 3.12Å; F632-H641 WeakPolarHBondContact CZ-CD2 3.39Å; F632-H641 AromaticContact CZ-CG 3.21Å; F632-H641 AromaticContact CZ-NE2 3.86Å
633	S	83.1	Confident	82	Confident	110 Å²	110	69.3 Å²	69.3	77%	0.769	33%	0.329	S	S	*	.	S	Bend	trans	-84.8	-6.8	-177.9	53.3	0	0	0	0	114.8	N637	S633-N637 PolarHBondContact OG-ND2 3.21Å
634	S	88.1	Confident	81.4	Confident	30 Å²	30	74 Å²	74	21%	0.21	35%	0.354	C	S	.	.	S	Bend	trans	-156.1	161.1	171.7	90.4	0	0	0	0	111.4	Q636 N637 L638	S634-Q636 VanDerWaalsContact C-N 3.34Å; S634-Q636 VanDerWaalsContact CB-OE1 3.3Å; S634-Q636 PolarHBondContact O-N 3.23Å; S634-Q636 PolarHBondContact OG-N 3.12Å; S634-Q636 PolarHBondContact OG-OE1 3.44Å; S634-N637 PolarHBondContact O-N 3.4Å; S634-N637 PolarHBondContact OG-N 3.12Å; S634-N637 PolarHBondContact OG-ND2 3.29Å; S634-L638 PolarHBondContact O-N 3.23Å
635	R	85.4	Confident	80.7	Confident	129 Å²	129	71.9 Å²	71.9	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-39.6	176.4	-175.6	173.2	-77.5	-167.9	-1.5	112.2	F620 L623 N637 L638 T639	F620-R635 PolarHBondContact O-NE 3.05Å; F620-R635 PolarHBondContact O-NH2 3.05Å; L623-R635 HydrophobicContact CD2-CB 3.95Å; R635-N637 VanDerWaalsContact C-N 3.27Å; R635-N637 PolarHBondContact O-N 3.03Å; R635-L638 CarbonylContact O-C 3.22Å; R635-L638 WeakPolarHBondContact O-CA 3.42Å; R635-L638 WeakPolarHBondContact O-CB 3.34Å; R635-L638 PolarHBondContact O-N 2.8Å; R635-T639 PolarHBondContact O-N 3.32Å; R635-T639 PolarHBondContact O-OG1 3.34Å; R635-T639 VanDerWaalsContact O-OG1 3.13Å
636	Q	85.9	Confident	80.2	Confident	128 Å²	128	73.6 Å²	73.6	60%	0.598	36%	0.356	S	S	*	.	H	α-helix	trans	-62.5	-35.7	177.9	-55.5	81.2	3.3	0	0	112	S634 L638 T639 K640	S634-Q636 VanDerWaalsContact C-N 3.34Å; S634-Q636 VanDerWaalsContact CB-OE1 3.3Å; S634-Q636 PolarHBondContact O-N 3.23Å; S634-Q636 PolarHBondContact OG-N 3.12Å; S634-Q636 PolarHBondContact OG-OE1 3.44Å; Q636-L638 VanDerWaalsContact C-N 3.33Å; Q636-T639 PolarHBondContact O-N 3.06Å; Q636-K640 WeakPolarHBondContact O-CG 3.48Å; Q636-K640 PolarHBondContact O-N 3.47Å
637	N	85	Confident	79.3	Confident	74 Å²	74	74.6 Å²	74.6	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-72	-26.6	175.5	-69	-32.2	0	0	0	112.7	F632 S633 S634 R635 H641	F632-N637 HydrophobicContact CB-CB 4.27Å; F632-N637 HydrophobicContact CD1-CB 4.02Å; F632-N637 WeakPolarHBondContact CD1-O 3.33Å; S633-N637 PolarHBondContact OG-ND2 3.21Å; S634-N637 PolarHBondContact O-N 3.4Å; S634-N637 PolarHBondContact OG-N 3.12Å; S634-N637 PolarHBondContact OG-ND2 3.29Å; R635-N637 VanDerWaalsContact C-N 3.27Å; R635-N637 PolarHBondContact O-N 3.03Å; N637-H641 WeakPolarHBondContact O-CB 3.3Å
638	L	83.2	Confident	79	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-74.2	-45	169.1	-179.4	66.2	0	0	0	111	F618 D619 F620 C625 F632 S634 R635 Q636 K640 H641 I642	F618-L638 HydrophobicContact CD1-CD1 4.19Å; D619-L638 WeakPolarHBondContact O-CD2 3.44Å; F620-L638 HydrophobicContact CD1-CD2 3.97Å; F620-L638 HydrophobicContact CE1-CD2 4.4Å; F620-L638 HydrophobicContact CG-CD2 4.49Å; C625-L638 HydrophobicContact CB-CD1 4.13Å; F632-L638 HydrophobicContact CB-CB 4.39Å; F632-L638 HydrophobicContact CD2-CB 4.42Å; F632-L638 HydrophobicContact CD2-CD1 3.77Å; F632-L638 HydrophobicContact CE2-CD1 4.05Å; F632-L638 HydrophobicContact CG-CB 4.44Å; S634-L638 PolarHBondContact O-N 3.23Å; R635-L638 CarbonylContact O-C 3.22Å; R635-L638 WeakPolarHBondContact O-CA 3.42Å; R635-L638 WeakPolarHBondContact O-CB 3.34Å; R635-L638 PolarHBondContact O-N 2.8Å; Q636-L638 VanDerWaalsContact C-N 3.33Å; L638-K640 PolarHBondContact O-N 2.91Å; L638-H641 CarbonylContact O-C 3.56Å; L638-H641 WeakPolarHBondContact O-CA 3.12Å; L638-H641 WeakPolarHBondContact O-CB 3.47Å; L638-H641 PolarHBondContact O-N 3.41Å; L638-I642 HydrophobicContact CG-CD1 4.16Å; L638-I642 HydrophobicContact CG-CG1 4.47Å; L638-I642 WeakPolarHBondContact O-CG1 3.39Å; L638-I642 PolarHBondContact O-N 2.78Å
639	T	83	Confident	78.3	Confident	59 Å²	59	83.6 Å²	83.6	36%	0.362	43%	0.427	S	S	.	.	H	α-helix	trans	-57.2	-50.9	177.4	-53.5	0	0	0	0	111.6	R635 Q636 H641 I642 E643	R635-T639 PolarHBondContact O-N 3.32Å; R635-T639 PolarHBondContact O-OG1 3.34Å; R635-T639 VanDerWaalsContact O-OG1 3.13Å; Q636-T639 PolarHBondContact O-N 3.06Å; T639-H641 PolarHBondContact O-N 3.16Å; T639-I642 WeakPolarHBondContact O-CB 3.46Å; T639-I642 PolarHBondContact O-N 3Å; T639-E643 PolarHBondContact O-N 3.09Å; T639-E643 VanDerWaalsContact O-N 3.09Å
640	K	82.8	Confident	77.5	Confident	144 Å²	144	80 Å²	80	63%	0.626	41%	0.414	S	S	*	.	H	α-helix	trans	-62.4	-8	173.9	-70.4	-168	173.3	-162	0	115.4	Q636 L638	Q636-K640 WeakPolarHBondContact O-CG 3.48Å; Q636-K640 PolarHBondContact O-N 3.47Å; L638-K640 PolarHBondContact O-N 2.91Å
641	H	81.8	Confident	77.5	Confident	19 Å²	19	73.7 Å²	73.7	9%	0.088	39%	0.392	C	S	.	.	H	α-helix	trans	-104.9	-27.3	174	171.2	52.4	0	0	0	112.7	C625 C628 F632 N637 L638 T639 E643 L644 H645	C625-H641 PolarHBondContact SG-NE2 3.02Å; C628-H641 PolarHBondContact SG-NE2 3.2Å; F632-H641 HydrophobicContact CE1-CB 3.77Å; F632-H641 AromaticContact CE1-CG 3.92Å; F632-H641 HydrophobicContact CE2-CB 4.26Å; F632-H641 AromaticContact CE2-CD2 3.27Å; F632-H641 WeakPolarHBondContact CE2-CD2 3.48Å; F632-H641 AromaticContact CE2-CG 3.85Å; F632-H641 HydrophobicContact CZ-CB 3.55Å; F632-H641 AromaticContact CZ-CD2 3.12Å; F632-H641 WeakPolarHBondContact CZ-CD2 3.39Å; F632-H641 AromaticContact CZ-CG 3.21Å; F632-H641 AromaticContact CZ-NE2 3.86Å; N637-H641 WeakPolarHBondContact O-CB 3.3Å; L638-H641 CarbonylContact O-C 3.56Å; L638-H641 WeakPolarHBondContact O-CA 3.12Å; L638-H641 WeakPolarHBondContact O-CB 3.47Å; L638-H641 PolarHBondContact O-N 3.41Å; T639-H641 PolarHBondContact O-N 3.16Å; H641-E643 PolarHBondContact O-N 3.2Å; H641-L644 WeakPolarHBondContact O-CB 3.48Å; H641-L644 PolarHBondContact O-N 2.79Å; H641-H645 AromaticContact CE1-CD2 3.53Å; H641-H645 AromaticContact CE1-NE2 3.59Å; H641-H645 AromaticContact NE2-CD2 3.76Å; H641-H645 AromaticContact NE2-NE2 3.88Å
642	I	79.4	Confident	76.9	Confident	8 Å²	8	69.8 Å²	69.8	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-40.5	164.8	-67.1	166.9	0	0	0	109.4	L614 F618 F620 L638 T639 L644 H645 T646	L614-I642 HydrophobicContact CD1-CG2 4.1Å; L614-I642 HydrophobicContact CD2-CG2 3.65Å; L614-I642 HydrophobicContact CG-CG2 4.5Å; F618-I642 HydrophobicContact CB-CD1 4.07Å; F618-I642 HydrophobicContact CB-CG1 4.35Å; F618-I642 HydrophobicContact CD1-CD1 4.14Å; F618-I642 HydrophobicContact CD1-CG1 3.5Å; F618-I642 HydrophobicContact CD2-CD1 4.08Å; F618-I642 HydrophobicContact CD2-CG1 3.76Å; F618-I642 HydrophobicContact CD2-CG2 4.35Å; F618-I642 HydrophobicContact CE1-CB 4.43Å; F618-I642 HydrophobicContact CE1-CG1 3.61Å; F618-I642 HydrophobicContact CE2-CB 4.35Å; F618-I642 HydrophobicContact CE2-CG1 3.86Å; F618-I642 HydrophobicContact CE2-CG2 3.96Å; F618-I642 HydrophobicContact CG-CD1 3.82Å; F618-I642 HydrophobicContact CG-CG1 3.59Å; F618-I642 HydrophobicContact CZ-CB 4.23Å; F618-I642 HydrophobicContact CZ-CG1 3.78Å; F618-I642 HydrophobicContact CZ-CG2 4.24Å; F620-I642 HydrophobicContact CE1-CD1 3.39Å; F620-I642 HydrophobicContact CZ-CD1 3.45Å; F620-I642 VanDerWaalsContact CZ-CD1 3.45Å; L638-I642 HydrophobicContact CG-CD1 4.16Å; L638-I642 HydrophobicContact CG-CG1 4.47Å; L638-I642 WeakPolarHBondContact O-CG1 3.39Å; L638-I642 PolarHBondContact O-N 2.78Å; T639-I642 WeakPolarHBondContact O-CB 3.46Å; T639-I642 PolarHBondContact O-N 3Å; I642-L644 PolarHBondContact O-N 2.9Å; I642-L644 VanDerWaalsContact O-N 3.09Å; I642-H645 CarbonylContact O-C 3.54Å; I642-H645 WeakPolarHBondContact O-CA 3.2Å; I642-H645 WeakPolarHBondContact O-CB 3.49Å; I642-H645 PolarHBondContact O-N 3.09Å; I642-T646 HydrophobicContact CG2-CG2 3.83Å; I642-T646 PolarHBondContact O-N 3.01Å; I642-T646 PolarHBondContact O-OG1 3.01Å
643	E	77.5	Confident	76.5	Confident	109 Å²	109	68.7 Å²	68.7	51%	0.509	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.7	171.7	-70.1	158.2	-144.4	0	0	113.5	T639 H641 H645	T639-E643 PolarHBondContact O-N 3.09Å; T639-E643 VanDerWaalsContact O-N 3.09Å; H641-E643 PolarHBondContact O-N 3.2Å; E643-H645 VanDerWaalsContact C-N 3.25Å; E643-H645 PolarHBondContact O-N 3.12Å
644	L	73.9	Confident	76.3	Confident	137 Å²	137	66.9 Å²	66.9	72%	0.717	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	3.7	174.8	-58.3	173.9	0	0	0	113.6	H641 I642	H641-L644 WeakPolarHBondContact O-CB 3.48Å; H641-L644 PolarHBondContact O-N 2.79Å; I642-L644 PolarHBondContact O-N 2.9Å; I642-L644 VanDerWaalsContact O-N 3.09Å
645	H	70.1	Confident	76.1	Confident	21 Å²	21	66.2 Å²	66.2	10%	0.097	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-6.5	179.3	-82.9	-63.8	0	0	0	112.8	F618 L627 H641 I642 E643 I651 F652	F618-H645 HydrophobicContact CZ-CB 3.86Å; L627-H645 HydrophobicContact CD1-CB 4.14Å; H641-H645 AromaticContact CE1-CD2 3.53Å; H641-H645 AromaticContact CE1-NE2 3.59Å; H641-H645 AromaticContact NE2-CD2 3.76Å; H641-H645 AromaticContact NE2-NE2 3.88Å; I642-H645 CarbonylContact O-C 3.54Å; I642-H645 WeakPolarHBondContact O-CA 3.2Å; I642-H645 WeakPolarHBondContact O-CB 3.49Å; I642-H645 PolarHBondContact O-N 3.09Å; E643-H645 VanDerWaalsContact C-N 3.25Å; E643-H645 PolarHBondContact O-N 3.12Å; H645-I651 HydrophobicContact CB-CG2 4.44Å; H645-I651 CarbonylContact O-C 3.59Å; H645-I651 WeakPolarHBondContact O-CA 3.27Å; H645-F652 PolarHBondContact ND1-O 2.96Å; H645-F652 PolarHBondContact O-N 2.86Å
646	T	73.8	Confident	76.3	Confident	37 Å²	37	61.8 Å²	61.8	23%	0.227	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-119.7	103.4	-179.1	54.2	0	0	0	0	110.5	L614 I642 G648 I651	L614-T646 HydrophobicContact CD2-CG2 4.09Å; I642-T646 HydrophobicContact CG2-CG2 3.83Å; I642-T646 PolarHBondContact O-N 3.01Å; I642-T646 PolarHBondContact O-OG1 3.01Å; T646-G648 PolarHBondContact O-N 2.84Å; T646-I651 HydrophobicContact CG2-CG1 4.28Å
647	D	59.4	Low	76.4	Confident	98 Å²	98	60.7 Å²	60.7	52%	0.524	31%	0.313	S	S	.	.	S	Bend	trans	-94.6	70.7	170.5	-65.8	-62.4	0	0	0	108.3	D650 F652 K699	D647-D650 PolarHBondContact N-O 2.77Å; D647-F652 HydrophobicContact CB-CD2 3.93Å; D647-F652 HydrophobicContact CB-CE2 4.11Å; D647-K699 IonicContact OD1-NZ 2.59Å; D647-K699 WeakPolarHBondContact OD2-CE 3.45Å; D647-K699 IonicContact OD2-NZ 3.63Å; D647-K699 PolarHBondContact OD2-NZ 2.82Å
648	G	69	Low	76.7	Confident	62 Å²	62	57.6 Å²	57.6	64%	0.639	30%	0.297	S	S	*	.	S	Bend	trans	97.5	-138.1	-173.7	0	0	0	0	0	113.2	T646 D650	T646-G648 PolarHBondContact O-N 2.84Å; G648-D650 VanDerWaalsContact C-N 3.3Å
649	N	57.5	Low	77	Confident	139 Å²	139	59.8 Å²	59.8	74%	0.743	31%	0.311	S	S	*	.	S	Bend	trans	-72.6	-21.5	179.2	-85.8	-1.2	0	0	0	113.4
650	D	60.5	Low	77.1	Confident	73 Å²	73	59.8 Å²	59.8	39%	0.39	31%	0.309	S	S	.	.	S	Bend	trans	-100	142.4	-173.9	-67.9	-51.9	0	0	0	113.5	D647 G648 F652	D647-D650 PolarHBondContact N-O 2.77Å; G648-D650 VanDerWaalsContact C-N 3.3Å; D650-F652 HydrophobicContact CB-CD2 4.39Å; D650-F652 HydrophobicContact CB-CE1 4.41Å; D650-F652 HydrophobicContact CB-CE2 3.58Å; D650-F652 HydrophobicContact CB-CZ 3.58Å
651	I	75.9	Confident	77.5	Confident	16 Å²	16	55.3 Å²	55.3	8%	0.082	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-96.8	115.1	-177.7	-46.2	176.7	0	0	0	108.9	L614 F618 L627 H645 T646 A702	L614-I651 HydrophobicContact CD2-CD1 3.93Å; L614-I651 HydrophobicContact CD2-CG1 4.39Å; F618-I651 HydrophobicContact CE2-CG2 4.35Å; L627-I651 HydrophobicContact CD1-CG2 3.51Å; H645-I651 HydrophobicContact CB-CG2 4.44Å; H645-I651 CarbonylContact O-C 3.59Å; H645-I651 WeakPolarHBondContact O-CA 3.27Å; T646-I651 HydrophobicContact CG2-CG1 4.28Å; I651-A702 HydrophobicContact CB-CB 3.83Å; I651-A702 HydrophobicContact CG2-CB 3.74Å; I651-A702 WeakPolarHBondContact O-CB 3.23Å; I651-A702 PolarHBondContact O-N 2.95Å
652	F	74	Confident	77.8	Confident	49 Å²	49	66.6 Å²	66.6	22%	0.215	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.6	-179.3	-61.3	-74.5	0	0	0	113	H645 D647 D650 K699 L701	H645-F652 PolarHBondContact ND1-O 2.96Å; H645-F652 PolarHBondContact O-N 2.86Å; D647-F652 HydrophobicContact CB-CD2 3.93Å; D647-F652 HydrophobicContact CB-CE2 4.11Å; D650-F652 HydrophobicContact CB-CD2 4.39Å; D650-F652 HydrophobicContact CB-CE1 4.41Å; D650-F652 HydrophobicContact CB-CE2 3.58Å; D650-F652 HydrophobicContact CB-CZ 3.58Å; F652-K699 HydrophobicContact CB-CB 4.32Å; F652-K699 HydrophobicContact CB-CD 4.35Å; F652-K699 HydrophobicContact CD1-CB 4.23Å; F652-K699 HydrophobicContact CG-CB 4.47Å; F652-K699 HydrophobicContact CG-CD 4.3Å; F652-L701 HydrophobicContact CD1-CG 4.42Å; F652-L701 HydrophobicContact CE1-CD1 4.39Å; F652-L701 HydrophobicContact CE1-CG 4.08Å
653	I	77.4	Confident	78.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.1	172.1	-53.9	178.2	0	0	0	107.9	L627 F655 R666 R700 A702 V705	L627-I653 HydrophobicContact CB-CD1 4.35Å; L627-I653 HydrophobicContact CB-CG1 4.4Å; L627-I653 HydrophobicContact CD1-CG1 4.26Å; L627-I653 HydrophobicContact CD2-CD1 4.07Å; I653-F655 HydrophobicContact CB-CD2 4.4Å; I653-F655 HydrophobicContact CB-CE2 3.91Å; I653-F655 HydrophobicContact CG2-CD2 3.95Å; I653-F655 HydrophobicContact CG2-CE2 3.46Å; I653-F655 VanDerWaalsContact CG2-CE2 3.46Å; I653-F655 HydrophobicContact CG2-CZ 4.01Å; I653-F655 WeakPolarHBondContact O-CD2 3.3Å; I653-F655 PolarHBondContact O-N 3.02Å; I653-R666 HydrophobicContact CG2-CB 4.42Å; I653-R666 HydrophobicContact CG2-CG 3.89Å; I653-R700 PolarHBondContact N-O 3.34Å; I653-R700 PolarHBondContact O-N 3.37Å; I653-A702 HydrophobicContact CD1-CB 4.09Å; I653-A702 HydrophobicContact CG1-CB 4.09Å; I653-V705 HydrophobicContact CD1-CB 3.94Å; I653-V705 HydrophobicContact CD1-CG1 3.78Å; I653-V705 HydrophobicContact CD1-CG2 4.43Å
654	K	79.5	Confident	78.8	Confident	73 Å²	73	68.1 Å²	68.1	32%	0.317	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.4	177.8	-171.5	162.4	-178.6	170.7	0	111.1	Y656 E694 A697	K654-Y656 HydrophobicContact CG-CE2 4.16Å; K654-E694 WeakPolarHBondContact CE-O 3.41Å; K654-E694 PolarHBondContact NZ-O 2.95Å; K654-A697 HydrophobicContact CD-CB 4.24Å; K654-A697 HydrophobicContact CG-CB 3.85Å
655	F	83.5	Confident	79.3	Confident	15 Å²	15	62.3 Å²	62.3	7%	0.066	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.5	176.5	-75.9	-96.5	0	0	0	111.2	I653 E664 R666 A697 V698 R700 V705	I653-F655 HydrophobicContact CB-CD2 4.4Å; I653-F655 HydrophobicContact CB-CE2 3.91Å; I653-F655 HydrophobicContact CG2-CD2 3.95Å; I653-F655 HydrophobicContact CG2-CE2 3.46Å; I653-F655 VanDerWaalsContact CG2-CE2 3.46Å; I653-F655 HydrophobicContact CG2-CZ 4.01Å; I653-F655 WeakPolarHBondContact O-CD2 3.3Å; I653-F655 PolarHBondContact O-N 3.02Å; F655-E664 HydrophobicContact CD1-CG 4.24Å; F655-R666 HydrophobicContact CD1-CG 4.1Å; F655-R666 HydrophobicContact CE1-CG 3.67Å; F655-R666 HydrophobicContact CZ-CG 3.92Å; F655-A697 CarbonylContact O-C 3.59Å; F655-A697 WeakPolarHBondContact O-CA 3.12Å; F655-A697 WeakPolarHBondContact O-CB 3.43Å; F655-V698 PolarHBondContact N-O 2.83Å; F655-V698 PolarHBondContact O-N 3.41Å; F655-R700 HydrophobicContact CD2-CB 4.44Å; F655-R700 HydrophobicContact CD2-CG 4.32Å; F655-R700 HydrophobicContact CE2-CB 4.36Å; F655-R700 HydrophobicContact CE2-CG 4.5Å; F655-V705 HydrophobicContact CE2-CG1 4.06Å; F655-V705 HydrophobicContact CE2-CG2 4Å; F655-V705 HydrophobicContact CZ-CG1 3.8Å; F655-V705 HydrophobicContact CZ-CG2 4.48Å
656	Y	89.6	Confident	79.9	Confident	36 Å²	36	64.7 Å²	64.7	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.4	173.7	-59.8	-95.4	0	0	0	108.3	K654 E664 S665 K668 V671 L693 E694 A697	K654-Y656 HydrophobicContact CG-CE2 4.16Å; Y656-E664 WeakPolarHBondContact O-CA 3.27Å; Y656-S665 PolarHBondContact N-O 3.17Å; Y656-S665 PolarHBondContact O-N 3.21Å; Y656-K668 HydrophobicContact CD1-CB 4.03Å; Y656-K668 HydrophobicContact CD1-CG 4.13Å; Y656-K668 HydrophobicContact CE1-CB 3.99Å; Y656-K668 HydrophobicContact CE1-CG 4.2Å; Y656-K668 HydrophobicContact CG-CB 4.33Å; Y656-V671 VanDerWaalsContact O-CG2 3.24Å; Y656-V671 WeakPolarHBondContact O-CG2 3.47Å; Y656-L693 WeakPolarHBondContact CD1-O 3.29Å; Y656-E694 HydrophobicContact CE1-CG 4.07Å; Y656-A697 HydrophobicContact CD1-CB 3.65Å; Y656-A697 HydrophobicContact CE1-CB 3.84Å; Y656-A697 HydrophobicContact CG-CB 4.09Å
657	R	88.3	Confident	80.3	Confident	106 Å²	106	67.5 Å²	67.5	40%	0.4	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141	179	-62.2	-163.8	162.7	142.1	4.9	111.5	E664 L693	R657-E664 HydrophobicContact CG-CB 3.93Å; R657-E664 IonicContact CZ-OE2 2.68Å; R657-E664 IonicContact NE-OE2 3.58Å; R657-E664 PolarHBondContact NE-OE2 3.49Å; R657-E664 IonicContact NH2-OE2 3.03Å; R657-E664 PolarHBondContact NH2-OE2 3.42Å; R657-L693 WeakPolarHBondContact O-CD2 3.15Å
658	C	91.5	Very high	81.4	Confident	9 Å²	9	64.7 Å²	64.7	6%	0.061	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-64.8	131.6	168.6	-172.6	0	0	0	0	109.6	L660 C661 Y663 V671 V675	C658-L660 PolarHBondContact O-N 3.1Å; C658-L660 VanDerWaalsContact O-N 3.14Å; C658-C661 VanDerWaalsContact O-O 3.09Å; C658-Y663 VanDerWaalsContact CB-O 3.31Å; C658-Y663 WeakPolarHBondContact CB-O 3.5Å; C658-Y663 PolarHBondContact N-O 3.25Å; C658-V671 HydrophobicContact CB-CG1 4.26Å; C658-V675 VanDerWaalsContact SG-CG2 3.59Å
659	P	87.9	Confident	82.2	Confident	45 Å²	45	70.6 Å²	70.6	29%	0.292	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	10.1	176.9	31	-33.2	0	0	0	113.4	I689	P659-I689 HydrophobicContact CG-CB 4.41Å; P659-I689 HydrophobicContact CG-CD1 3.92Å; P659-I689 HydrophobicContact CG-CG2 4.12Å
660	L	86.9	Confident	83.7	Confident	59 Å²	59	64.9 Å²	64.9	31%	0.309	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-5.3	-166.5	-64	160.8	0	0	0	113.9	C658 V675 H679 K681 Y685	C658-L660 PolarHBondContact O-N 3.1Å; C658-L660 VanDerWaalsContact O-N 3.14Å; L660-V675 HydrophobicContact CD1-CG1 4.03Å; L660-V675 HydrophobicContact CD1-CG2 4.42Å; L660-H679 HydrophobicContact CD1-CB 4.32Å; L660-K681 HydrophobicContact CD1-CD 3.79Å; L660-K681 VanDerWaalsContact CD1-CE 3.48Å; L660-K681 HydrophobicContact CD1-CG 4.12Å; L660-Y685 HydrophobicContact CD1-CE1 3.9Å
661	C	91.1	Very high	85.1	Confident	51 Å²	51	61.4 Å²	61.4	35%	0.345	26%	0.263	S	S	.	.	S	Bend	trans	-168.5	178.5	172.5	63.1	0	0	0	0	109.7	C658 Y663 H674 H679	C658-C661 VanDerWaalsContact O-O 3.09Å; C661-Y663 PolarHBondContact O-N 2.95Å; C661-Y663 VanDerWaalsContact O-N 3.14Å; C661-H674 PolarHBondContact SG-NE2 3.26Å; C661-H679 PolarHBondContact SG-NE2 3.27Å
662	R	87.8	Confident	85.9	Confident	256 Å²	256	62.2 Å²	62.2	97%	0.966	27%	0.267	S	S	*	.	S	Bend	trans	-71.2	1.5	179.9	-61	-176.3	-180	-178	0.4	115.2	E664	R662-E664 PolarHBondContact O-N 2.95Å
663	Y	88.6	Confident	86.8	Confident	92 Å²	92	66.2 Å²	66.2	36%	0.361	28%	0.281	S	S	.	.			trans	-65.2	125.1	-179.6	-177	-97.9	0	0	0	112.3	C658 C661 H674	C658-Y663 VanDerWaalsContact CB-O 3.31Å; C658-Y663 WeakPolarHBondContact CB-O 3.5Å; C658-Y663 PolarHBondContact N-O 3.25Å; C661-Y663 PolarHBondContact O-N 2.95Å; C661-Y663 VanDerWaalsContact O-N 3.14Å; Y663-H674 HydrophobicContact CD1-CB 3.8Å; Y663-H674 AromaticContact CD1-CD2 3.96Å; Y663-H674 AromaticContact CD1-CG 3.5Å; Y663-H674 AromaticContact CD1-ND1 3.7Å; Y663-H674 AromaticContact CD2-ND1 3.86Å; Y663-H674 HydrophobicContact CE1-CB 3.7Å; Y663-H674 AromaticContact CE1-CG 3.89Å; Y663-H674 AromaticContact CG-CG 3.85Å; Y663-H674 AromaticContact CG-ND1 3.57Å
664	E	89.2	Confident	87.5	Confident	57 Å²	57	68 Å²	68	27%	0.266	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.4	174.3	67.4	177.1	-162.5	0	0	111.9	F655 Y656 R657 R662 R700	F655-E664 HydrophobicContact CD1-CG 4.24Å; Y656-E664 WeakPolarHBondContact O-CA 3.27Å; R657-E664 HydrophobicContact CG-CB 3.93Å; R657-E664 IonicContact CZ-OE2 2.68Å; R657-E664 IonicContact NE-OE2 3.58Å; R657-E664 PolarHBondContact NE-OE2 3.49Å; R657-E664 IonicContact NH2-OE2 3.03Å; R657-E664 PolarHBondContact NH2-OE2 3.42Å; R662-E664 PolarHBondContact O-N 2.95Å; E664-R700 IonicContact OE1-CZ 2.69Å; E664-R700 VanDerWaalsContact OE1-CZ 3.23Å; E664-R700 IonicContact OE1-NH1 3.26Å; E664-R700 PolarHBondContact OE1-NH1 3.36Å; E664-R700 IonicContact OE1-NH2 3.89Å; E664-R700 PolarHBondContact OE1-NH2 2.81Å; E664-R700 IonicContact OE2-NH1 2.85Å; E664-R700 IonicContact OE2-NH2 2.66Å
665	S	84.4	Confident	88.1	Confident	14 Å²	14	64.5 Å²	64.5	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.3	178	75.1	0	0	0	0	112.9	Y656 R667 V671	Y656-S665 PolarHBondContact N-O 3.17Å; Y656-S665 PolarHBondContact O-N 3.21Å; S665-R667 PolarHBondContact O-N 3.33Å; S665-R667 VanDerWaalsContact O-N 3.11Å; S665-R667 PolarHBondContact OG-O 3.36Å; S665-V671 VanDerWaalsContact OG-CG2 3.23Å; S665-V671 WeakPolarHBondContact OG-CG2 3.48Å
666	R	81.6	Confident	88.6	Confident	72 Å²	72	66.5 Å²	66.5	27%	0.272	29%	0.288	S	S	.	.	S	Bend	trans	-73.7	3.5	-177.2	-52	179.9	-167.1	170.4	0.2	113.7	L627 I653 F655	L627-R666 WeakPolarHBondContact O-CD 3.38Å; L627-R666 PolarHBondContact O-NH1 3.22Å; I653-R666 HydrophobicContact CG2-CB 4.42Å; I653-R666 HydrophobicContact CG2-CG 3.89Å; F655-R666 HydrophobicContact CD1-CG 4.1Å; F655-R666 HydrophobicContact CE1-CG 3.67Å; F655-R666 HydrophobicContact CZ-CG 3.92Å
667	R	83.3	Confident	88.8	Confident	95 Å²	95	69.5 Å²	69.5	36%	0.358	31%	0.309	S	S	.	.			trans	-142.7	125.1	-176.5	-43	-168.6	-162	111.9	-11.4	112.4	C628 K629 S665 R669 D670 V671	C628-R667 PolarHBondContact O-NE 3.43Å; C628-R667 VanDerWaalsContact O-NE 3.16Å; C628-R667 PolarHBondContact O-NH2 3.14Å; K629-R667 PolarHBondContact O-NH2 3.06Å; K629-R667 VanDerWaalsContact O-NH2 3.13Å; S665-R667 PolarHBondContact O-N 3.33Å; S665-R667 VanDerWaalsContact O-N 3.11Å; S665-R667 PolarHBondContact OG-O 3.36Å; R667-R669 PolarHBondContact O-N 3.2Å; R667-R669 VanDerWaalsContact O-N 3.11Å; R667-D670 HydrophobicContact CB-CB 4.43Å; R667-D670 WeakPolarHBondContact CB-OD2 3.36Å; R667-D670 VanDerWaalsContact CD-OD2 3.29Å; R667-D670 WeakPolarHBondContact CD-OD2 3.32Å; R667-D670 IonicContact CZ-OD2 4Å; R667-D670 IonicContact NE-OD2 2.92Å; R667-D670 IonicContact NH1-OD2 3.03Å; R667-D670 PolarHBondContact NH1-OD2 3.31Å; R667-D670 PolarHBondContact O-N 3.19Å; R667-V671 PolarHBondContact O-N 3.35Å
668	K	83	Confident	89.1	Confident	39 Å²	39	68.5 Å²	68.5	17%	0.17	32%	0.315	C	S	.	.	H	α-helix	trans	-47.1	-42.6	175.8	-161.3	-174.6	-166.6	-172.1	0	113.8	Y656 D670 V671 L672 M690 E694	Y656-K668 HydrophobicContact CD1-CB 4.03Å; Y656-K668 HydrophobicContact CD1-CG 4.13Å; Y656-K668 HydrophobicContact CE1-CB 3.99Å; Y656-K668 HydrophobicContact CE1-CG 4.2Å; Y656-K668 HydrophobicContact CG-CB 4.33Å; K668-D670 VanDerWaalsContact C-N 3.31Å; K668-D670 PolarHBondContact O-N 3.2Å; K668-V671 PolarHBondContact O-N 2.9Å; K668-L672 HydrophobicContact CG-CD1 4.39Å; K668-L672 WeakPolarHBondContact O-CG 3.45Å; K668-L672 PolarHBondContact O-N 3.21Å; K668-M690 WeakPolarHBondContact CE-O 3.17Å; K668-M690 VanDerWaalsContact NZ-CG 3.26Å; K668-M690 PolarHBondContact NZ-O 3.3Å; K668-E694 HydrophobicContact CD-CG 4.29Å; K668-E694 WeakPolarHBondContact CD-OE1 3.46Å; K668-E694 VanDerWaalsContact CE-CD 3.44Å; K668-E694 VanDerWaalsContact CE-OE1 3.29Å; K668-E694 WeakPolarHBondContact CE-OE1 3.43Å; K668-E694 IonicContact NZ-OE1 2.76Å; K668-E694 PolarHBondContact NZ-OE1 3.15Å; K668-E694 IonicContact NZ-OE2 3.7Å; K668-E694 PolarHBondContact NZ-OE2 3.39Å
669	R	85.8	Confident	89.1	Confident	186 Å²	186	70.1 Å²	70.1	70%	0.702	32%	0.322	S	S	*	.	H	α-helix	trans	-62.8	-32.8	178.8	-62.9	-168.2	-58.4	179.9	2.1	113.9	R667 L672 R673	R667-R669 PolarHBondContact O-N 3.2Å; R667-R669 VanDerWaalsContact O-N 3.11Å; R669-L672 PolarHBondContact O-N 3.47Å; R669-R673 PolarHBondContact O-N 2.93Å
670	D	88.8	Confident	89.2	Confident	20 Å²	20	76.9 Å²	76.9	11%	0.107	35%	0.346	C	S	.	.	H	α-helix	trans	-79.6	-34.8	-176.1	-63.3	-36.8	0	0	0	110.4	R667 K668 R673 H674	R667-D670 HydrophobicContact CB-CB 4.43Å; R667-D670 WeakPolarHBondContact CB-OD2 3.36Å; R667-D670 VanDerWaalsContact CD-OD2 3.29Å; R667-D670 WeakPolarHBondContact CD-OD2 3.32Å; R667-D670 IonicContact CZ-OD2 4Å; R667-D670 IonicContact NE-OD2 2.92Å; R667-D670 IonicContact NH1-OD2 3.03Å; R667-D670 PolarHBondContact NH1-OD2 3.31Å; R667-D670 PolarHBondContact O-N 3.19Å; K668-D670 VanDerWaalsContact C-N 3.31Å; K668-D670 PolarHBondContact O-N 3.2Å; D670-R673 PolarHBondContact O-N 2.83Å; D670-R673 IonicContact OD1-CZ 3.03Å; D670-R673 VanDerWaalsContact OD1-CZ 3.24Å; D670-R673 IonicContact OD1-NH1 3.57Å; D670-R673 PolarHBondContact OD1-NH1 2.97Å; D670-R673 IonicContact OD1-NH2 2.8Å; D670-R673 PolarHBondContact OD1-NH2 2.89Å; D670-H674 WeakPolarHBondContact O-CB 3.36Å; D670-H674 PolarHBondContact O-N 2.85Å
671	V	90	Very high	89.4	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-44.3	165.5	-174.9	0	0	0	0	111.9	Y656 C658 S665 R667 K668 R673 H674 V675 L693	Y656-V671 VanDerWaalsContact O-CG2 3.24Å; Y656-V671 WeakPolarHBondContact O-CG2 3.47Å; C658-V671 HydrophobicContact CB-CG1 4.26Å; S665-V671 VanDerWaalsContact OG-CG2 3.23Å; S665-V671 WeakPolarHBondContact OG-CG2 3.48Å; R667-V671 PolarHBondContact O-N 3.35Å; K668-V671 PolarHBondContact O-N 2.9Å; V671-R673 VanDerWaalsContact C-N 3.33Å; V671-R673 PolarHBondContact O-N 3Å; V671-H674 WeakPolarHBondContact O-CB 3.47Å; V671-H674 PolarHBondContact O-N 3.12Å; V671-V675 HydrophobicContact CG1-CG2 4.29Å; V671-V675 WeakPolarHBondContact O-CG2 3.33Å; V671-V675 PolarHBondContact O-N 3.39Å; V671-L693 HydrophobicContact CG1-CD1 4.43Å; V671-L693 HydrophobicContact CG1-CD2 4.09Å
672	L	91.3	Very high	89.3	Confident	32 Å²	32	78.4 Å²	78.4	17%	0.168	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-39.5	178.5	-69.6	170.7	0	0	0	111.8	K668 R669 V675 T676 L686 I689 L693	K668-L672 HydrophobicContact CG-CD1 4.39Å; K668-L672 WeakPolarHBondContact O-CG 3.45Å; K668-L672 PolarHBondContact O-N 3.21Å; R669-L672 PolarHBondContact O-N 3.47Å; L672-V675 PolarHBondContact O-N 2.91Å; L672-T676 PolarHBondContact O-N 3.03Å; L672-T676 VanDerWaalsContact O-N 3.1Å; L672-T676 PolarHBondContact O-OG1 3.02Å; L672-L686 HydrophobicContact CD2-CB 4.18Å; L672-L686 HydrophobicContact CD2-CD2 4.05Å; L672-I689 HydrophobicContact CD2-CD1 4.41Å; L672-L693 HydrophobicContact CD2-CD1 3.87Å; L672-L693 HydrophobicContact CG-CD1 4.33Å
673	R	92.4	Very high	89.2	Confident	134 Å²	134	70.9 Å²	70.9	51%	0.506	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-41.1	172.8	-164.3	-166.4	-53.5	97.4	5.3	112.1	R669 D670 V671 V675 T676 V677	R669-R673 PolarHBondContact O-N 2.93Å; D670-R673 PolarHBondContact O-N 2.83Å; D670-R673 IonicContact OD1-CZ 3.03Å; D670-R673 VanDerWaalsContact OD1-CZ 3.24Å; D670-R673 IonicContact OD1-NH1 3.57Å; D670-R673 PolarHBondContact OD1-NH1 2.97Å; D670-R673 IonicContact OD1-NH2 2.8Å; D670-R673 PolarHBondContact OD1-NH2 2.89Å; V671-R673 VanDerWaalsContact C-N 3.33Å; V671-R673 PolarHBondContact O-N 3Å; R673-V675 VanDerWaalsContact C-N 3.34Å; R673-V675 PolarHBondContact O-N 3.05Å; R673-T676 PolarHBondContact O-N 2.92Å; R673-T676 PolarHBondContact O-OG1 2.93Å; R673-V677 HydrophobicContact CG-CG2 4.2Å; R673-V677 WeakPolarHBondContact O-CB 3.37Å; R673-V677 WeakPolarHBondContact O-CG2 3.38Å; R673-V677 PolarHBondContact O-N 3.1Å
674	H	92.8	Very high	89.2	Confident	37 Å²	37	73.7 Å²	73.7	17%	0.171	36%	0.356	C	S	.	.	H	α-helix	trans	-58.2	-46.5	173.7	172.2	90.2	0	0	0	111.4	C661 Y663 D670 V671 T676 V677 V678 H679	C661-H674 PolarHBondContact SG-NE2 3.26Å; Y663-H674 HydrophobicContact CD1-CB 3.8Å; Y663-H674 AromaticContact CD1-CD2 3.96Å; Y663-H674 AromaticContact CD1-CG 3.5Å; Y663-H674 AromaticContact CD1-ND1 3.7Å; Y663-H674 AromaticContact CD2-ND1 3.86Å; Y663-H674 HydrophobicContact CE1-CB 3.7Å; Y663-H674 AromaticContact CE1-CG 3.89Å; Y663-H674 AromaticContact CG-CG 3.85Å; Y663-H674 AromaticContact CG-ND1 3.57Å; D670-H674 WeakPolarHBondContact O-CB 3.36Å; D670-H674 PolarHBondContact O-N 2.85Å; V671-H674 WeakPolarHBondContact O-CB 3.47Å; V671-H674 PolarHBondContact O-N 3.12Å; H674-T676 VanDerWaalsContact C-N 3.32Å; H674-T676 PolarHBondContact O-N 2.85Å; H674-V677 PolarHBondContact O-N 3.17Å; H674-V678 VanDerWaalsContact CE1-CG1 3.42Å; H674-V678 WeakPolarHBondContact CE1-CG1 3.42Å; H674-V678 WeakPolarHBondContact O-CB 3.39Å; H674-V678 PolarHBondContact O-N 3.11Å; H674-H679 AromaticContact CD2-CD2 3.73Å; H674-H679 AromaticContact CD2-NE2 3.81Å; H674-H679 AromaticContact NE2-CD2 2.83Å; H674-H679 PolarHBondContact NE2-CD2 2.93Å; H674-H679 AromaticContact NE2-CE1 3.12Å; H674-H679 PolarHBondContact NE2-CE1 3.18Å; H674-H679 AromaticContact NE2-CG 3.84Å; H674-H679 AromaticContact NE2-ND1 3.97Å; H674-H679 AromaticContact NE2-NE2 2.21Å; H674-H679 PolarHBondContact NE2-NE2 3.04Å
675	V	93.1	Very high	89.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-32.7	179.7	173.2	0	0	0	0	112.6	C658 L660 V671 L672 R673 K680 K681 Y685 L686 I689	C658-V675 VanDerWaalsContact SG-CG2 3.59Å; L660-V675 HydrophobicContact CD1-CG1 4.03Å; L660-V675 HydrophobicContact CD1-CG2 4.42Å; V671-V675 HydrophobicContact CG1-CG2 4.29Å; V671-V675 WeakPolarHBondContact O-CG2 3.33Å; V671-V675 PolarHBondContact O-N 3.39Å; L672-V675 PolarHBondContact O-N 2.91Å; R673-V675 VanDerWaalsContact C-N 3.34Å; R673-V675 PolarHBondContact O-N 3.05Å; V675-K680 PolarHBondContact O-N 2.93Å; V675-K681 HydrophobicContact CG1-CB 3.7Å; V675-K681 HydrophobicContact CG1-CG 4.23Å; V675-K681 PolarHBondContact O-N 3.24Å; V675-Y685 HydrophobicContact CG1-CD1 4.37Å; V675-Y685 HydrophobicContact CG1-CE1 4.39Å; V675-L686 HydrophobicContact CB-CD2 3.99Å; V675-L686 HydrophobicContact CG1-CD2 3.54Å; V675-I689 HydrophobicContact CG1-CD1 4.13Å; V675-I689 HydrophobicContact CG2-CD1 4.24Å
676	T	93.6	Very high	89.3	Confident	57 Å²	57	75.3 Å²	75.3	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-76.6	-40.9	172.4	53	0	0	0	0	113.6	L672 R673 H674 K680 L686	L672-T676 PolarHBondContact O-N 3.03Å; L672-T676 VanDerWaalsContact O-N 3.1Å; L672-T676 PolarHBondContact O-OG1 3.02Å; R673-T676 PolarHBondContact O-N 2.92Å; R673-T676 PolarHBondContact O-OG1 2.93Å; H674-T676 VanDerWaalsContact C-N 3.32Å; H674-T676 PolarHBondContact O-N 2.85Å; T676-K680 VanDerWaalsContact O-CA 3.25Å; T676-K680 WeakPolarHBondContact O-CA 3.46Å; T676-K680 PolarHBondContact O-N 2.95Å; T676-L686 HydrophobicContact CG2-CD1 3.47Å; T676-L686 VanDerWaalsContact CG2-CD1 3.47Å; T676-L686 HydrophobicContact CG2-CD2 4.01Å; T676-L686 HydrophobicContact CG2-CG 4.18Å
677	V	94.6	Very high	89.6	Confident	98 Å²	98	74.5 Å²	74.5	59%	0.594	37%	0.369	S	S	*	.	H	α-helix	trans	-83.3	-56.6	-172.7	175.7	0	0	0	0	112	R673 H674	R673-V677 HydrophobicContact CG-CG2 4.2Å; R673-V677 WeakPolarHBondContact O-CB 3.37Å; R673-V677 WeakPolarHBondContact O-CG2 3.38Å; R673-V677 PolarHBondContact O-N 3.1Å; H674-V677 PolarHBondContact O-N 3.17Å
678	V	92.7	Very high	89.8	Confident	85 Å²	85	77.6 Å²	77.6	52%	0.515	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-36.2	-174.5	179.1	0	0	0	0	111.3	H674	H674-V678 VanDerWaalsContact CE1-CG1 3.42Å; H674-V678 WeakPolarHBondContact CE1-CG1 3.42Å; H674-V678 WeakPolarHBondContact O-CB 3.39Å; H674-V678 PolarHBondContact O-N 3.11Å
679	H	91.4	Very high	90.1	Very high	44 Å²	44	76.5 Å²	76.5	20%	0.204	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.4	-174.7	-59.8	-59.3	0	0	0	115.1	L660 C661 H674 K681	L660-H679 HydrophobicContact CD1-CB 4.32Å; C661-H679 PolarHBondContact SG-NE2 3.27Å; H674-H679 AromaticContact CD2-CD2 3.73Å; H674-H679 AromaticContact CD2-NE2 3.81Å; H674-H679 AromaticContact NE2-CD2 2.83Å; H674-H679 PolarHBondContact NE2-CD2 2.93Å; H674-H679 AromaticContact NE2-CE1 3.12Å; H674-H679 PolarHBondContact NE2-CE1 3.18Å; H674-H679 AromaticContact NE2-CG 3.84Å; H674-H679 AromaticContact NE2-ND1 3.97Å; H674-H679 AromaticContact NE2-NE2 2.21Å; H674-H679 PolarHBondContact NE2-NE2 3.04Å; H679-K681 HydrophobicContact CB-CD 3.69Å; H679-K681 WeakPolarHBondContact O-CD 3.41Å; H679-K681 PolarHBondContact O-N 2.82Å; H679-K681 VanDerWaalsContact O-N 3.08Å
680	K	91.9	Very high	90.1	Very high	187 Å²	187	71.5 Å²	71.5	81%	0.813	37%	0.366	S	S	*	.			trans	53.1	27	177.9	-57.8	179.4	-177.8	175.3	0	115	V675 T676	V675-K680 PolarHBondContact O-N 2.93Å; T676-K680 VanDerWaalsContact O-CA 3.25Å; T676-K680 WeakPolarHBondContact O-CA 3.46Å; T676-K680 PolarHBondContact O-N 2.95Å
681	K	89.4	Confident	89.9	Confident	72 Å²	72	74.4 Å²	74.4	31%	0.313	39%	0.386	S	S	.	.			trans	-72.7	142.1	179.8	-94.1	65.8	175.4	-179.6	0	111.6	L660 V675 H679 Y685	L660-K681 HydrophobicContact CD1-CD 3.79Å; L660-K681 VanDerWaalsContact CD1-CE 3.48Å; L660-K681 HydrophobicContact CD1-CG 4.12Å; V675-K681 HydrophobicContact CG1-CB 3.7Å; V675-K681 HydrophobicContact CG1-CG 4.23Å; V675-K681 PolarHBondContact O-N 3.24Å; H679-K681 HydrophobicContact CB-CD 3.69Å; H679-K681 WeakPolarHBondContact O-CD 3.41Å; H679-K681 PolarHBondContact O-N 2.82Å; H679-K681 VanDerWaalsContact O-N 3.08Å; K681-Y685 HydrophobicContact CB-CD1 3.77Å; K681-Y685 HydrophobicContact CB-CE1 4.44Å; K681-Y685 HydrophobicContact CB-CG 4.22Å; K681-Y685 HydrophobicContact CG-CD1 3.47Å; K681-Y685 VanDerWaalsContact CG-CD1 3.47Å; K681-Y685 HydrophobicContact CG-CD2 4.45Å; K681-Y685 HydrophobicContact CG-CE1 3.8Å; K681-Y685 HydrophobicContact CG-CG 3.84Å
682	S	89.6	Confident	89.5	Confident	70 Å²	70	81.2 Å²	81.2	49%	0.49	42%	0.416	S	S	.	.			trans	-70.1	157.8	-179.2	72.8	0	0	0	0	113.2	Q684 Y685 L686	S682-Q684 PolarHBondContact O-N 2.99Å; S682-Y685 WeakPolarHBondContact O-CB 3.42Å; S682-Y685 PolarHBondContact O-N 3.01Å; S682-L686 PolarHBondContact O-N 3.36Å; S682-L686 VanDerWaalsContact O-N 3.1Å
683	S	86.3	Confident	89.1	Confident	97 Å²	97	80.1 Å²	80.1	68%	0.678	41%	0.41	S	S	*	.	H	α-helix	trans	-56.9	-34	177.3	-167.5	0	0	0	0	113.1	Y685 L686 A687	S683-Y685 VanDerWaalsContact C-N 3.34Å; S683-Y685 PolarHBondContact O-N 3.16Å; S683-L686 WeakPolarHBondContact O-CB 3.5Å; S683-L686 PolarHBondContact O-N 3Å; S683-A687 PolarHBondContact O-N 3.12Å
684	Q	87.6	Confident	88.6	Confident	152 Å²	152	77.9 Å²	77.9	71%	0.71	41%	0.405	S	S	*	.	H	α-helix	trans	-64.2	-37	174.7	-65.3	178.9	-5.7	0	0	112.5	S682 K688	S682-Q684 PolarHBondContact O-N 2.99Å; Q684-K688 PolarHBondContact O-N 2.94Å
685	Y	88.4	Confident	87.8	Confident	78 Å²	78	80.9 Å²	80.9	31%	0.306	43%	0.431	S	S	.	.	H	α-helix	trans	-68.3	-41.3	173.3	-177.4	-87.6	0	0	0	111.2	L660 V675 K681 S682 S683 A687 K688 I689	L660-Y685 HydrophobicContact CD1-CE1 3.9Å; V675-Y685 HydrophobicContact CG1-CD1 4.37Å; V675-Y685 HydrophobicContact CG1-CE1 4.39Å; K681-Y685 HydrophobicContact CB-CD1 3.77Å; K681-Y685 HydrophobicContact CB-CE1 4.44Å; K681-Y685 HydrophobicContact CB-CG 4.22Å; K681-Y685 HydrophobicContact CG-CD1 3.47Å; K681-Y685 VanDerWaalsContact CG-CD1 3.47Å; K681-Y685 HydrophobicContact CG-CD2 4.45Å; K681-Y685 HydrophobicContact CG-CE1 3.8Å; K681-Y685 HydrophobicContact CG-CG 3.84Å; S682-Y685 WeakPolarHBondContact O-CB 3.42Å; S682-Y685 PolarHBondContact O-N 3.01Å; S683-Y685 VanDerWaalsContact C-N 3.34Å; S683-Y685 PolarHBondContact O-N 3.16Å; Y685-A687 VanDerWaalsContact C-N 3.3Å; Y685-A687 PolarHBondContact O-N 2.85Å; Y685-K688 PolarHBondContact O-N 2.96Å; Y685-K688 VanDerWaalsContact O-N 3.14Å; Y685-I689 HydrophobicContact CD1-CD1 4.31Å; Y685-I689 HydrophobicContact CD1-CG1 4.47Å; Y685-I689 HydrophobicContact CD1-CG2 4.07Å; Y685-I689 HydrophobicContact CE1-CD1 3.98Å; Y685-I689 HydrophobicContact CE1-CG1 4.35Å; Y685-I689 HydrophobicContact CE1-CG2 3.48Å; Y685-I689 VanDerWaalsContact CE1-CG2 3.48Å; Y685-I689 HydrophobicContact CE2-CG2 4.37Å; Y685-I689 PolarHBondContact O-N 2.64Å
686	L	87.1	Confident	87	Confident	27 Å²	27	89.2 Å²	89.2	14%	0.141	46%	0.462	C	S	.	.	H	α-helix	trans	-54.5	-47.3	174	-57.3	-180	0	0	0	111.3	L672 V675 T676 S682 S683 K688 I689 M690	L672-L686 HydrophobicContact CD2-CB 4.18Å; L672-L686 HydrophobicContact CD2-CD2 4.05Å; V675-L686 HydrophobicContact CB-CD2 3.99Å; V675-L686 HydrophobicContact CG1-CD2 3.54Å; T676-L686 HydrophobicContact CG2-CD1 3.47Å; T676-L686 VanDerWaalsContact CG2-CD1 3.47Å; T676-L686 HydrophobicContact CG2-CD2 4.01Å; T676-L686 HydrophobicContact CG2-CG 4.18Å; S682-L686 PolarHBondContact O-N 3.36Å; S682-L686 VanDerWaalsContact O-N 3.1Å; S683-L686 WeakPolarHBondContact O-CB 3.5Å; S683-L686 PolarHBondContact O-N 3Å; L686-K688 VanDerWaalsContact C-N 3.3Å; L686-K688 PolarHBondContact O-N 2.63Å; L686-I689 VanDerWaalsContact O-CG1 3.3Å; L686-I689 WeakPolarHBondContact O-CG1 3.3Å; L686-I689 PolarHBondContact O-N 2.99Å; L686-M690 WeakPolarHBondContact O-CB 3.46Å; L686-M690 PolarHBondContact O-N 3.45Å
687	A	87.8	Confident	86.5	Confident	55 Å²	55	87 Å²	87	46%	0.455	45%	0.45	S	S	.	.	H	α-helix	trans	-58.4	-40.5	178.5	0	0	0	0	0	112.4	S683 Y685 M690 P691	S683-A687 PolarHBondContact O-N 3.12Å; Y685-A687 VanDerWaalsContact C-N 3.3Å; Y685-A687 PolarHBondContact O-N 2.85Å; A687-M690 PolarHBondContact O-N 2.82Å; A687-P691 VanDerWaalsContact O-CD 3.3Å; A687-P691 WeakPolarHBondContact O-CD 3.44Å
688	K	88.6	Confident	85.8	Confident	160 Å²	160	84.9 Å²	84.9	70%	0.696	44%	0.437	S	S	*	.	H	α-helix	trans	-70.6	-33.1	178.1	-68.7	178.8	-179.9	-176.3	0	113.7	Q684 Y685 L686	Q684-K688 PolarHBondContact O-N 2.94Å; Y685-K688 PolarHBondContact O-N 2.96Å; Y685-K688 VanDerWaalsContact O-N 3.14Å; L686-K688 VanDerWaalsContact C-N 3.3Å; L686-K688 PolarHBondContact O-N 2.63Å
689	I	88.3	Confident	85.2	Confident	15 Å²	15	86.1 Å²	86.1	8%	0.077	44%	0.435	C	S	.	.	H	α-helix	trans	-84.8	-20.7	174.9	66.4	166.6	0	0	0	113.3	P659 L672 V675 Y685 L686 K692 L693	P659-I689 HydrophobicContact CG-CB 4.41Å; P659-I689 HydrophobicContact CG-CD1 3.92Å; P659-I689 HydrophobicContact CG-CG2 4.12Å; L672-I689 HydrophobicContact CD2-CD1 4.41Å; V675-I689 HydrophobicContact CG1-CD1 4.13Å; V675-I689 HydrophobicContact CG2-CD1 4.24Å; Y685-I689 HydrophobicContact CD1-CD1 4.31Å; Y685-I689 HydrophobicContact CD1-CG1 4.47Å; Y685-I689 HydrophobicContact CD1-CG2 4.07Å; Y685-I689 HydrophobicContact CE1-CD1 3.98Å; Y685-I689 HydrophobicContact CE1-CG1 4.35Å; Y685-I689 HydrophobicContact CE1-CG2 3.48Å; Y685-I689 VanDerWaalsContact CE1-CG2 3.48Å; Y685-I689 HydrophobicContact CE2-CG2 4.37Å; Y685-I689 PolarHBondContact O-N 2.64Å; L686-I689 VanDerWaalsContact O-CG1 3.3Å; L686-I689 WeakPolarHBondContact O-CG1 3.3Å; L686-I689 PolarHBondContact O-N 2.99Å; I689-K692 CarbonylContact O-C 3.55Å; I689-K692 PolarHBondContact O-N 2.96Å; I689-L693 HydrophobicContact CD1-CD1 4.03Å; I689-L693 HydrophobicContact CG1-CD1 4.18Å; I689-L693 WeakPolarHBondContact O-CG 3.49Å; I689-L693 PolarHBondContact O-N 3.22Å
690	M	86.5	Confident	84.7	Confident	82 Å²	82	88 Å²	88	40%	0.404	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.9	-170.9	179.7	168.6	62.1	0	0	114.4	K668 L686 A687	K668-M690 WeakPolarHBondContact CE-O 3.17Å; K668-M690 VanDerWaalsContact NZ-CG 3.26Å; K668-M690 PolarHBondContact NZ-O 3.3Å; L686-M690 WeakPolarHBondContact O-CB 3.46Å; L686-M690 PolarHBondContact O-N 3.45Å; A687-M690 PolarHBondContact O-N 2.82Å
691	P	84.6	Confident	83.9	Confident	80 Å²	80	82.1 Å²	82.1	52%	0.519	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-42	170.9	-17.9	32.3	0	0	0	112.5	A687 L693 E694	A687-P691 VanDerWaalsContact O-CD 3.3Å; A687-P691 WeakPolarHBondContact O-CD 3.44Å; P691-L693 PolarHBondContact O-N 3.22Å; P691-L693 VanDerWaalsContact O-N 3.16Å; P691-E694 PolarHBondContact O-N 2.88Å
692	K	81	Confident	82.9	Confident	144 Å²	144	78.8 Å²	78.8	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-63.6	-22	-179.9	-61	-169.2	178	-169.6	0	113	I689 S695 R696	I689-K692 CarbonylContact O-C 3.55Å; I689-K692 PolarHBondContact O-N 2.96Å; K692-S695 PolarHBondContact O-OG 3.19Å; K692-R696 VanDerWaalsContact O-CB 3.31Å; K692-R696 WeakPolarHBondContact O-CB 3.5Å; K692-R696 VanDerWaalsContact O-CG 3.29Å; K692-R696 WeakPolarHBondContact O-CG 3.18Å; K692-R696 PolarHBondContact O-N 3.36Å
693	L	84	Confident	81.8	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-70.8	-25.3	171.4	-78.5	173.6	0	0	0	113.4	Y656 R657 V671 L672 I689 P691 A697	Y656-L693 WeakPolarHBondContact CD1-O 3.29Å; R657-L693 WeakPolarHBondContact O-CD2 3.15Å; V671-L693 HydrophobicContact CG1-CD1 4.43Å; V671-L693 HydrophobicContact CG1-CD2 4.09Å; L672-L693 HydrophobicContact CD2-CD1 3.87Å; L672-L693 HydrophobicContact CG-CD1 4.33Å; I689-L693 HydrophobicContact CD1-CD1 4.03Å; I689-L693 HydrophobicContact CG1-CD1 4.18Å; I689-L693 WeakPolarHBondContact O-CG 3.49Å; I689-L693 PolarHBondContact O-N 3.22Å; P691-L693 PolarHBondContact O-N 3.22Å; P691-L693 VanDerWaalsContact O-N 3.16Å; L693-A697 WeakPolarHBondContact O-CB 3.44Å
694	E	80.9	Confident	80.6	Confident	88 Å²	88	78.2 Å²	78.2	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-85.3	-30.3	-178.9	-87.6	155.7	167.5	0	0	113.5	K654 Y656 K668 P691	K654-E694 WeakPolarHBondContact CE-O 3.41Å; K654-E694 PolarHBondContact NZ-O 2.95Å; Y656-E694 HydrophobicContact CE1-CG 4.07Å; K668-E694 HydrophobicContact CD-CG 4.29Å; K668-E694 WeakPolarHBondContact CD-OE1 3.46Å; K668-E694 VanDerWaalsContact CE-CD 3.44Å; K668-E694 VanDerWaalsContact CE-OE1 3.29Å; K668-E694 WeakPolarHBondContact CE-OE1 3.43Å; K668-E694 IonicContact NZ-OE1 2.76Å; K668-E694 PolarHBondContact NZ-OE1 3.15Å; K668-E694 IonicContact NZ-OE2 3.7Å; K668-E694 PolarHBondContact NZ-OE2 3.39Å; P691-E694 PolarHBondContact O-N 2.88Å
695	S	76.3	Confident	79.5	Confident	100 Å²	100	71.2 Å²	71.2	70%	0.699	36%	0.361	S	S	*	.	H	α-helix	trans	-81.3	-38.5	172.3	54.6	0	0	0	0	112.8	K692 A697	K692-S695 PolarHBondContact O-OG 3.19Å; S695-A697 PolarHBondContact O-N 3.42Å
696	R	77.2	Confident	78.2	Confident	174 Å²	174	69.7 Å²	69.7	66%	0.657	36%	0.358	S	S	*	.	S	Bend	trans	-82	11.3	176.6	-60	-177.7	75.9	-164	6.5	114.5	K692	K692-R696 VanDerWaalsContact O-CB 3.31Å; K692-R696 WeakPolarHBondContact O-CB 3.5Å; K692-R696 VanDerWaalsContact O-CG 3.29Å; K692-R696 WeakPolarHBondContact O-CG 3.18Å; K692-R696 PolarHBondContact O-N 3.36Å
697	A	82.5	Confident	76.6	Confident	11 Å²	11	73.3 Å²	73.3	9%	0.091	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-92.7	116.8	-178.5	0	0	0	0	0	111.7	K654 F655 Y656 L693 S695	K654-A697 HydrophobicContact CD-CB 4.24Å; K654-A697 HydrophobicContact CG-CB 3.85Å; F655-A697 CarbonylContact O-C 3.59Å; F655-A697 WeakPolarHBondContact O-CA 3.12Å; F655-A697 WeakPolarHBondContact O-CB 3.43Å; Y656-A697 HydrophobicContact CD1-CB 3.65Å; Y656-A697 HydrophobicContact CE1-CB 3.84Å; Y656-A697 HydrophobicContact CG-CB 4.09Å; L693-A697 WeakPolarHBondContact O-CB 3.44Å; S695-A697 PolarHBondContact O-N 3.42Å
698	V	79.7	Confident	74.8	Confident	53 Å²	53	73.4 Å²	73.4	32%	0.321	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.4	-171.1	176.4	0	0	0	0	110.6	F655 R700	F655-V698 PolarHBondContact N-O 2.83Å; F655-V698 PolarHBondContact O-N 3.41Å; V698-R700 HydrophobicContact CG1-CG 4.22Å
699	K	80.6	Confident	72.8	Confident	112 Å²	112	69.9 Å²	69.9	49%	0.487	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.3	163.2	-61.4	-172.1	-173.7	-171.9	0	108.4	D647 F652	D647-K699 IonicContact OD1-NZ 2.59Å; D647-K699 WeakPolarHBondContact OD2-CE 3.45Å; D647-K699 IonicContact OD2-NZ 3.63Å; D647-K699 PolarHBondContact OD2-NZ 2.82Å; F652-K699 HydrophobicContact CB-CB 4.32Å; F652-K699 HydrophobicContact CB-CD 4.35Å; F652-K699 HydrophobicContact CD1-CB 4.23Å; F652-K699 HydrophobicContact CG-CB 4.47Å; F652-K699 HydrophobicContact CG-CD 4.3Å
700	R	80.8	Confident	70.6	Confident	82 Å²	82	78 Å²	78	31%	0.309	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.7	164	-68.2	-169.6	-178.2	114.3	-14.4	109	I653 F655 E664 V698 V705	I653-R700 PolarHBondContact N-O 3.34Å; I653-R700 PolarHBondContact O-N 3.37Å; F655-R700 HydrophobicContact CD2-CB 4.44Å; F655-R700 HydrophobicContact CD2-CG 4.32Å; F655-R700 HydrophobicContact CE2-CB 4.36Å; F655-R700 HydrophobicContact CE2-CG 4.5Å; E664-R700 IonicContact OE1-CZ 2.69Å; E664-R700 VanDerWaalsContact OE1-CZ 3.23Å; E664-R700 IonicContact OE1-NH1 3.26Å; E664-R700 PolarHBondContact OE1-NH1 3.36Å; E664-R700 IonicContact OE1-NH2 3.89Å; E664-R700 PolarHBondContact OE1-NH2 2.81Å; E664-R700 IonicContact OE2-NH1 2.85Å; E664-R700 IonicContact OE2-NH2 2.66Å; V698-R700 HydrophobicContact CG1-CG 4.22Å; R700-V705 HydrophobicContact CB-CG2 3.44Å; R700-V705 VanDerWaalsContact CB-CG2 3.44Å; R700-V705 HydrophobicContact CG-CG2 4.24Å
701	L	75.3	Confident	68.5	Low	64 Å²	64	83.5 Å²	83.5	34%	0.335	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.7	176.7	-135.2	157.6	0	0	0	110	F652 E703 A704 V705	F652-L701 HydrophobicContact CD1-CG 4.42Å; F652-L701 HydrophobicContact CE1-CD1 4.39Å; F652-L701 HydrophobicContact CE1-CG 4.08Å; L701-E703 PolarHBondContact O-N 3.28Å; L701-A704 PolarHBondContact O-N 2.83Å; L701-V705 WeakPolarHBondContact O-CG2 3.37Å; L701-V705 PolarHBondContact O-N 3.04Å
702	A	68.9	Low	66	Low	3 Å²	3	85 Å²	85	3%	0.025	43%	0.426	C	S	.	.	H	α-helix	trans	-64.5	-38.7	-168.2	0	0	0	0	0	113	L627 I651 I653 V705 L706	L627-A702 HydrophobicContact CD1-CB 4.42Å; L627-A702 HydrophobicContact CD2-CB 4.2Å; I651-A702 HydrophobicContact CB-CB 3.83Å; I651-A702 HydrophobicContact CG2-CB 3.74Å; I651-A702 WeakPolarHBondContact O-CB 3.23Å; I651-A702 PolarHBondContact O-N 2.95Å; I653-A702 HydrophobicContact CD1-CB 4.09Å; I653-A702 HydrophobicContact CG1-CB 4.09Å; A702-V705 PolarHBondContact O-N 3.16Å; A702-L706 WeakPolarHBondContact O-CB 3.3Å; A702-L706 VanDerWaalsContact O-CG 3.28Å; A702-L706 WeakPolarHBondContact O-CG 3.42Å; A702-L706 PolarHBondContact O-N 2.94Å
703	E	64.9	Low	63.6	Low	89 Å²	89	82.2 Å²	82.2	42%	0.416	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-49.2	-179.6	-63.9	175.5	-176.8	0	0	110.8	K613 L701 V705 L706 N707	K613-E703 WeakPolarHBondContact CE-OE1 3.14Å; L701-E703 PolarHBondContact O-N 3.28Å; E703-V705 VanDerWaalsContact C-N 3.28Å; E703-V705 PolarHBondContact O-N 3.47Å; E703-L706 PolarHBondContact O-N 3.12Å; E703-N707 WeakPolarHBondContact O-CB 3.22Å; E703-N707 VanDerWaalsContact O-CG 3.24Å; E703-N707 PolarHBondContact O-N 3.34Å
704	A	62.3	Low	60.9	Low	65 Å²	65	85.1 Å²	85.1	54%	0.537	47%	0.47	S	S	.	.	H	α-helix	trans	-57.6	-37.3	175	0	0	0	0	0	113.2	L701 S708	L701-A704 PolarHBondContact O-N 2.83Å; A704-S708 VanDerWaalsContact O-CB 3.3Å; A704-S708 WeakPolarHBondContact O-CB 3.44Å; A704-S708 PolarHBondContact O-N 2.64Å; A704-S708 PolarHBondContact O-OG 3.23Å
705	V	63.1	Low	58.5	Low	6 Å²	6	86.8 Å²	86.8	4%	0.036	49%	0.491	C	S	.	.	H	α-helix	trans	-77.7	-34.1	-179.6	174.2	0	0	0	0	113	I653 F655 R700 L701 A702 E703 S708 T709	I653-V705 HydrophobicContact CD1-CB 3.94Å; I653-V705 HydrophobicContact CD1-CG1 3.78Å; I653-V705 HydrophobicContact CD1-CG2 4.43Å; F655-V705 HydrophobicContact CE2-CG1 4.06Å; F655-V705 HydrophobicContact CE2-CG2 4Å; F655-V705 HydrophobicContact CZ-CG1 3.8Å; F655-V705 HydrophobicContact CZ-CG2 4.48Å; R700-V705 HydrophobicContact CB-CG2 3.44Å; R700-V705 VanDerWaalsContact CB-CG2 3.44Å; R700-V705 HydrophobicContact CG-CG2 4.24Å; L701-V705 WeakPolarHBondContact O-CG2 3.37Å; L701-V705 PolarHBondContact O-N 3.04Å; A702-V705 PolarHBondContact O-N 3.16Å; E703-V705 VanDerWaalsContact C-N 3.28Å; E703-V705 PolarHBondContact O-N 3.47Å; V705-S708 PolarHBondContact O-OG 2.98Å; V705-T709 PolarHBondContact O-N 3.45Å; V705-T709 PolarHBondContact O-OG1 3.39Å
706	L	62.2	Low	56.3	Low	45 Å²	45	87 Å²	87	24%	0.236	50%	0.499	C	S	.	.	H	α-helix	trans	-73.5	-38.3	175.9	-69	170.8	0	0	0	110.5	V616 L627 A702 E703 T709	V616-L706 HydrophobicContact CG1-CD1 4.02Å; L627-L706 HydrophobicContact CD2-CD1 4.05Å; A702-L706 WeakPolarHBondContact O-CB 3.3Å; A702-L706 VanDerWaalsContact O-CG 3.28Å; A702-L706 WeakPolarHBondContact O-CG 3.42Å; A702-L706 PolarHBondContact O-N 2.94Å; E703-L706 PolarHBondContact O-N 3.12Å; L706-T709 PolarHBondContact O-N 3.4Å; L706-T709 PolarHBondContact O-OG1 3.41Å
707	N	52.1	Low	54.2	Low	104 Å²	104	86.3 Å²	86.3	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-69.6	-41.9	174.8	-67.6	-8.1	0	0	0	111.7	E703 T709 K710	E703-N707 WeakPolarHBondContact O-CB 3.22Å; E703-N707 VanDerWaalsContact O-CG 3.24Å; E703-N707 PolarHBondContact O-N 3.34Å; N707-T709 PolarHBondContact O-N 3.31Å; N707-K710 WeakPolarHBondContact O-CB 3.5Å; N707-K710 PolarHBondContact O-N 3.09Å
708	S	50.2	Low	51.7	Low	57 Å²	57	94.9 Å²	94.9	40%	0.399	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-33.3	176.9	78.2	0	0	0	0	112.4	A704 V705 K710 R711 T712	A704-S708 VanDerWaalsContact O-CB 3.3Å; A704-S708 WeakPolarHBondContact O-CB 3.44Å; A704-S708 PolarHBondContact O-N 2.64Å; A704-S708 PolarHBondContact O-OG 3.23Å; V705-S708 PolarHBondContact O-OG 2.98Å; S708-K710 PolarHBondContact O-N 3.1Å; S708-K710 VanDerWaalsContact O-N 3.12Å; S708-R711 PolarHBondContact O-N 3.15Å; S708-T712 PolarHBondContact O-N 3.38Å; S708-T712 PolarHBondContact O-OG1 3.29Å
709	T	46.9	Very low	49.4	Very low	86 Å²	86	100 Å²	100	53%	0.528	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-7	174.7	41.8	0	0	0	0	115.3	V705 L706 N707	V705-T709 PolarHBondContact O-N 3.45Å; V705-T709 PolarHBondContact O-OG1 3.39Å; L706-T709 PolarHBondContact O-N 3.4Å; L706-T709 PolarHBondContact O-OG1 3.41Å; N707-T709 PolarHBondContact O-N 3.31Å
710	K	43.3	Very low	46.9	Very low	185 Å²	185	102.5 Å²	102.5	80%	0.804	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-17.3	167	-65.7	-171.9	174.9	-173.6	0	113.9	N707 S708	N707-K710 WeakPolarHBondContact O-CB 3.5Å; N707-K710 PolarHBondContact O-N 3.09Å; S708-K710 PolarHBondContact O-N 3.1Å; S708-K710 VanDerWaalsContact O-N 3.12Å
711	R	41.4	Very low	44.4	Very low	198 Å²	198	105.6 Å²	105.6	75%	0.747	60%	0.598	S	S	*	*	S	Bend	trans	-117.5	12.6	-175.9	-75.6	-171.2	167.2	-176.2	-6.1	114.4	E131 S708	E131-R711 IonicContact OE2-CZ 3.85Å; E131-R711 IonicContact OE2-NH2 3.99Å; E131-R711 PolarHBondContact OE2-NH2 2.99Å; S708-R711 PolarHBondContact O-N 3.15Å
712	T	32.6	Very low	42.1	Very low	110 Å²	110	106.1 Å²	106.1	68%	0.675	62%	0.619	S	S	*	*			trans	-120.2	59.3	177.5	-41	0	0	0	0	111.7	S708	S708-T712 PolarHBondContact O-N 3.38Å; S708-T712 PolarHBondContact O-OG1 3.29Å
713	G	29.4	Very low	40.2	Very low	87 Å²	87	116.8 Å²	116.8	90%	0.897	66%	0.658	S	S	*	*			trans	-107.5	29	172	0	0	0	0	0	113.4
714	G	29	Very low	38.5	Very low	68 Å²	68	121 Å²	121	70%	0.701	68%	0.678	S	S	*	*			trans	-135.8	138.4	-179.1	0	0	0	0	0	111.4
715	S	30.2	Very low	36.7	Very low	123 Å²	123	126 Å²	126	86%	0.86	69%	0.693	S	S	*	*			trans	-116	104.5	-175.4	175.7	0	0	0	0	111
716	A	29.5	Very low	35	Very low	105 Å²	105	131 Å²	131	87%	0.868	73%	0.729	S	S	*	*			trans	-93.1	118.2	173.3	0	0	0	0	0	111
717	K	33.5	Very low	33.4	Very low	159 Å²	159	133.7 Å²	133.7	69%	0.691	75%	0.751	S	S	*	*			trans	-156.3	106.2	163.3	-164.2	-173.7	-176.3	-60	0	110.8	E719	K717-E719 IonicContact NZ-OE2 3.41Å; K717-E719 PolarHBondContact NZ-OE2 3.01Å
718	E	28.9	Very low	32.2	Very low	191 Å²	191	133.9 Å²	133.9	89%	0.893	76%	0.761	S	S	*	*			trans	-115.8	160	167.1	-70.8	-174.8	103.2	0	0	110.4
719	E	31.6	Very low	31.3	Very low	162 Å²	162	136.7 Å²	136.7	76%	0.757	78%	0.78	S	S	*	*			trans	-158	124.5	168.5	-111.4	171.3	126.3	0	0	111.1	K717	K717-E719 IonicContact NZ-OE2 3.41Å; K717-E719 PolarHBondContact NZ-OE2 3.01Å
720	M	29.3	Very low	30.4	Very low	164 Å²	164	137.1 Å²	137.1	81%	0.808	79%	0.787	S	S	*	*			trans	88	129.4	143.9	-153.8	60.2	172.8	0	0	122
721	N	26.9	Very low	29.6	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	78%	0.784	S	S	*	*			trans	70.1	131	167.5	-62.2	-25.6	0	0	0	119.6
722	G	27.8	Very low	29	Very low	75 Å²	75	128.5 Å²	128.5	77%	0.773	78%	0.78	S	S	*	*			cis	168.5	152.5	-13	0	0	0	0	0	117.1
723	R	29.4	Very low	28.8	Very low	226 Å²	226	128.5 Å²	128.5	85%	0.853	79%	0.785	S	S	*	*			trans	79.6	106.7	161.9	-72	-164.8	136.4	164.1	1.5	123.2
724	H	28.2	Very low	28.7	Very low	178 Å²	178	129.1 Å²	129.1	82%	0.824	78%	0.775	S	S	*	*				71.1	121.2	129.7	-56.4	-50.1	0	0	0	123.3
725	I	25.1	Very low	28.7	Very low	170 Å²	170	131.4 Å²	131.4	87%	0.872	78%	0.78	S	S	*	*				-154.4	160.7	118.1	-101.1	158.9	0	0	0	108.6
726	S	27.5	Very low	28.6	Very low	112 Å²	112	131 Å²	131	78%	0.783	78%	0.778	S	S	*	*			trans	-75.5	174.9	-173.2	-47.2	0	0	0	0	113.3
727	S	28.6	Very low	28.9	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	77%	0.773	S	S	*	*			cis	-164	171	24.5	51.2	0	0	0	0	112.6
728	S	28.1	Very low	28.5	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	78%	0.78	S	S	*	*			trans	39.4	131.4	157.1	57.9	0	0	0	0	120.1
729	S	29.7	Very low	29	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	78%	0.775	S	S	*	*				-164.8	175	51	53	0	0	0	0	114.4
730	S	28.3	Very low	29.4	Very low	96 Å²	96	124.6 Å²	124.6	67%	0.671	78%	0.777	S	S	*	*			trans	-56.8	147.4	-176.4	49.7	0	0	0	0	118.7
731	S	27.3	Very low	29.3	Very low	106 Å²	106	124.1 Å²	124.1	74%	0.741	78%	0.776	S	S	*	*			trans	53.3	144.8	138.7	61.5	0	0	0	0	122
732	S	28.1	Very low	29.5	Very low	96 Å²	96	123.2 Å²	123.2	67%	0.671	78%	0.776	S	S	*	*			cis	174.8	147.6	-26.6	44.4	0	0	0	0	108.9
733	S	28.1	Very low	29.6	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	78%	0.781	S	S	*	*			trans	61.4	154.8	156.9	43.8	0	0	0	0	119.7
734	S	28.4	Very low	29.6	Very low	100 Å²	100	127 Å²	127	70%	0.699	77%	0.771	S	S	*	*			cis	-175.2	159	-23	57.8	0	0	0	0	112.7
735	S	29	Very low	29.8	Very low	116 Å²	116	125.8 Å²	125.8	81%	0.811	77%	0.766	S	S	*	*			trans	74.6	153.8	141.4	-64.6	0	0	0	0	122
736	S	27	Very low	29.8	Very low	116 Å²	116	124.1 Å²	124.1	81%	0.811	76%	0.755	S	S	*	*			trans	-85	159.1	179.4	-38.1	0	0	0	0	113.6
737	P	35.6	Very low	29.8	Very low	117 Å²	117	122.8 Å²	122.8	76%	0.76	75%	0.75	S	S	*	*			trans	-98.8	141.7	176.6	36.3	-32.8	0	0	0	114.5
738	S	25.8	Very low	30	Very low	121 Å²	121	123 Å²	123	85%	0.846	75%	0.752	S	S	*	*			trans	170.7	148	154.7	-78.8	0	0	0	0	110.4
739	P	39.9	Very low	30.2	Very low	121 Å²	121	124 Å²	124	79%	0.786	75%	0.754	S	S	*	*			cis	-122.7	172.1	-44.6	39.5	-26.6	0	0	0	111.9
740	P	39.1	Very low	30.3	Very low	123 Å²	123	123.3 Å²	123.3	80%	0.799	75%	0.749	S	S	*	*			trans	-105.8	150	-174	38	-32.4	0	0	0	115.5
741	I	27.4	Very low	30.5	Very low	153 Å²	153	123 Å²	123	79%	0.785	75%	0.752	S	S	*	*			trans	-145.2	132.5	163.5	-68	-172.4	0	0	0	110
742	T	31.8	Very low	30.9	Very low	129 Å²	129	123.3 Å²	123.3	79%	0.791	75%	0.754	S	S	*	*			trans	62.1	148.4	169.2	51.7	0	0	0	0	119.1
743	R	29.6	Very low	31.3	Very low	229 Å²	229	123.6 Å²	123.6	86%	0.864	76%	0.762	S	S	*	*			cis	-164.2	123	-16.5	170.7	174.9	-178.2	165.8	0.3	111.1
744	K	29.8	Very low	31.6	Very low	150 Å²	150	122.2 Å²	122.2	65%	0.652	76%	0.757	S	S	*	*			trans	18.8	123.3	152.9	-158.1	-170.8	-171.7	-85.2	0	120.3	E746	K744-E746 WeakPolarHBondContact CE-OE1 3.17Å; K744-E746 IonicContact NZ-OE1 2.73Å; K744-E746 PolarHBondContact NZ-OE1 3.02Å; K744-E746 IonicContact NZ-OE2 2.83Å
745	Q	30.8	Very low	32	Very low	153 Å²	153	124.1 Å²	124.1	72%	0.715	77%	0.765	S	S	*	*				166	118.2	118.4	-84.8	-168.1	-90.9	0	0	108.7
746	E	26.6	Very low	32.5	Very low	136 Å²	136	123.6 Å²	123.6	64%	0.636	76%	0.762	S	S	*	*				71	129	90.5	-72	153.1	-155.6	0	0	113.2	K744	K744-E746 WeakPolarHBondContact CE-OE1 3.17Å; K744-E746 IonicContact NZ-OE1 2.73Å; K744-E746 PolarHBondContact NZ-OE1 3.02Å; K744-E746 IonicContact NZ-OE2 2.83Å
747	A	27.6	Very low	32.9	Very low	83 Å²	83	122.5 Å²	122.5	69%	0.686	76%	0.76	S	S	*	*			cis	-150.2	157.8	2.4	0	0	0	0	0	110.6
748	S	32.8	Very low	32.9	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	77%	0.767	S	S	*	*				58.2	143.3	101.3	-57	0	0	0	0	116.4
749	T	31.9	Very low	33.4	Very low	129 Å²	129	121.8 Å²	121.8	79%	0.791	76%	0.763	S	S	*	*			cis	-176.7	165.5	-3.1	22.9	0	0	0	0	106.8
750	S	32.4	Very low	34.3	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	76%	0.762	S	S	*	*			cis	-179	171.9	-15.9	52.3	0	0	0	0	109.8
751	A	32.3	Very low	35.6	Very low	90 Å²	90	121.2 Å²	121.2	74%	0.744	76%	0.759	S	S	*	*			trans	71.4	159.1	159.6	0	0	0	0	0	118.5
752	S	34.3	Very low	35.8	Very low	112 Å²	112	118.8 Å²	118.8	78%	0.783	76%	0.762	S	S	*	*			cis	-171.1	156.6	-24	-92.7	0	0	0	0	111.7
753	A	36.3	Very low	36.4	Very low	102 Å²	102	117.4 Å²	117.4	84%	0.843	76%	0.763	S	S	*	*			trans	63.5	160.2	155.1	0	0	0	0	0	120
754	A	35.8	Very low	37.4	Very low	79 Å²	79	112.7 Å²	112.7	65%	0.653	76%	0.762	S	S	*	*			cis	-170.1	162.9	-28.5	0	0	0	0	0	111.5
755	T	36.7	Very low	37.8	Very low	140 Å²	140	113 Å²	113	86%	0.859	77%	0.77	S	S	*	*			trans	63.1	156.4	156.5	42	0	0	0	0	119.9
756	S	38.2	Very low	37.9	Very low	106 Å²	106	111.9 Å²	111.9	74%	0.741	77%	0.773	S	S	*	*			cis	-171.8	151.4	-12.8	48.2	0	0	0	0	114.6
757	A	37	Very low	38.2	Very low	93 Å²	93	116.3 Å²	116.3	77%	0.769	78%	0.784	S	S	*	*			trans	75.7	133.8	142	0	0	0	0	0	126.4
758	S	34.9	Very low	38.5	Very low	130 Å²	130	120.5 Å²	120.5	91%	0.909	79%	0.787	S	S	*	*			trans	85	157.9	141.1	-64.2	0	0	0	0	124.5
759	A	37.2	Very low	38.5	Very low	92 Å²	92	122.4 Å²	122.4	76%	0.76	78%	0.784	S	S	*	*			trans	-119.1	-159.3	-168.3	0	0	0	0	0	112.1
760	P	57	Low	38.8	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	78%	0.777	S	S	*	*			cis	-140.6	-132.8	10.2	42.4	-16.9	0	0	0	114.2
761	P	66.6	Low	38.6	Very low	113 Å²	113	124.4 Å²	124.4	73%	0.734	77%	0.773	S	S	*	*				-127.6	-176.6	-59.8	36.9	-18.7	0	0	0	117.7
762	A	33	Very low	38.6	Very low	101 Å²	101	126.9 Å²	126.9	84%	0.835	77%	0.773	S	S	*	*			trans	87.5	152.5	143.8	0	0	0	0	0	124.1
763	A	42.8	Very low	38.2	Very low	100 Å²	100	126.8 Å²	126.8	83%	0.826	77%	0.773	S	S	*	*			trans	-165.6	157.2	174	0	0	0	0	0	115.2
764	P	50.8	Low	38.1	Very low	130 Å²	130	127.5 Å²	127.5	84%	0.844	77%	0.771	S	S	*	*			trans	-120.2	-173.4	-178.7	42.8	-32.6	0	0	0	117.3
765	I	38.2	Very low	38.9	Very low	158 Å²	158	129.1 Å²	129.1	81%	0.81	78%	0.775	S	S	*	*			trans	-146.5	153.5	-173.8	-34.9	174.9	0	0	0	114.3
766	T	33.3	Very low	38.7	Very low	128 Å²	128	128.7 Å²	128.7	79%	0.785	77%	0.772	S	S	*	*			trans	118.8	143	141.3	74.1	0	0	0	0	123.4
767	R	33.9	Very low	39.2	Very low	230 Å²	230	128.5 Å²	128.5	87%	0.868	77%	0.768	S	S	*	*			trans	97.8	95.5	130.6	-137.8	166.4	-169.6	167.6	1.5	126.5
768	K	32.2	Very low	38.8	Very low	171 Å²	171	130.2 Å²	130.2	74%	0.743	77%	0.77	S	S	*	*				69.3	152.3	121.3	-144.1	-161.1	173.4	-165.3	0	124.8
769	Q	34.2	Very low	39.4	Very low	145 Å²	145	129.6 Å²	129.6	68%	0.678	76%	0.762	S	S	*	*			trans	87.7	143.4	161.1	-81.1	175.4	-84.8	0	0	119
770	Q	38	Very low	38.9	Very low	138 Å²	138	130.5 Å²	130.5	65%	0.645	76%	0.763	S	S	*	*			cis	-160.2	-175.8	-14.9	-149.7	176.2	-82.2	0	0	111.8
771	E	28.6	Very low	39.1	Very low	135 Å²	135	129.9 Å²	129.9	63%	0.631	76%	0.759	S	S	*	*			trans	75.1	142.2	172.4	-51.1	-53.2	80.4	0	0	117.5
772	L	32.8	Very low	37.7	Very low	141 Å²	141	130.2 Å²	130.2	74%	0.738	76%	0.761	S	S	*	*			cis	-158.3	166.1	-3.6	-121.7	170.4	0	0	0	112.8
773	S	25.9	Very low	37.6	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	76%	0.758	S	S	*	*			trans	84.2	145.3	158.7	-60.2	0	0	0	0	122.5
774	S	32.4	Very low	37.8	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	76%	0.758	S	S	*	*			trans	-130.7	-160	-170	-47.5	0	0	0	0	110.5
775	P	52.7	Low	36.9	Very low	113 Å²	113	136.8 Å²	136.8	73%	0.734	76%	0.755	S	S	*	*			cis	-117.1	165.2	-25.3	15.6	9.8	0	0	0	112.4
776	V	33.5	Very low	36.7	Very low	132 Å²	132	137.8 Å²	137.8	80%	0.8	75%	0.754	S	S	*	*			cis	78.4	138.6	43.9	175.8	0	0	0	0	112.7
777	P	47.8	Very low	36.8	Very low	102 Å²	102	138.2 Å²	138.2	66%	0.662	75%	0.747	S	S	*	*			cis	-135.1	150.9	12.1	30.6	-7.7	0	0	0	120.6
778	T	30.2	Very low	36.7	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	74%	0.736	S	S	*	*			trans	44.9	175.8	132.8	75.5	0	0	0	0	124.4
779	P	46	Very low	36.6	Very low	117 Å²	117	136 Å²	136	76%	0.76	74%	0.74	S	S	*	*			cis	-127.5	-174.4	-46.8	30.9	-10.9	0	0	0	115.1
780	S	26.8	Very low	36.6	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	73%	0.732	S	S	*	*			trans	-68.6	-179.6	173.4	-28.4	0	0	0	0	115
781	P	62.6	Low	36.5	Very low	107 Å²	107	135.5 Å²	135.5	70%	0.695	74%	0.737	S	S	*	*			cis	-135.1	-155.3	-6.3	44.3	-25.2	0	0	0	112.9
782	P	37.2	Very low	36.6	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	74%	0.741	S	S	*	*			trans	-142.1	157.4	138.9	37.8	-25	0	0	0	113.3
783	V	30	Very low	36.4	Very low	128 Å²	128	131.8 Å²	131.8	78%	0.776	74%	0.738	S	S	*	*			cis	73.1	133.3	-9.8	-168.1	0	0	0	0	120
784	T	47	Very low	36.5	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	74%	0.738	S	S	*	*			trans	-61.3	154.5	-166.4	55.8	0	0	0	0	121.3
785	R	32.7	Very low	36.4	Very low	207 Å²	207	137.2 Å²	137.2	78%	0.781	74%	0.738	S	S	*	*			trans	-158.1	147.1	150.8	-145.1	-158.8	179.8	111.1	-2.3	108	Q787	R785-Q787 VanDerWaalsContact NE-OE1 3.16Å
786	K	32.9	Very low	35.1	Very low	180 Å²	180	137.1 Å²	137.1	78%	0.783	74%	0.74	S	S	*	*			cis	93.4	140.4	9.4	-154.9	177.3	179.8	-176.1	0	117.6
787	Q	36	Very low	34.7	Very low	137 Å²	137	141.8 Å²	141.8	64%	0.64	74%	0.743	S	S	*	*			trans	84.8	123.2	179.9	-56.3	175.3	-70.1	0	0	114.5	R785	R785-Q787 VanDerWaalsContact NE-OE1 3.16Å
788	E	31.6	Very low	34.9	Very low	139 Å²	139	142.3 Å²	142.3	65%	0.65	75%	0.747	S	S	*	*			cis	94.1	112.9	18	-163.1	-153.5	142.8	0	0	115.9	Q790	E788-Q790 PolarHBondContact OE1-NE2 3.33Å
789	R	29.5	Very low	34.7	Very low	215 Å²	215	142.7 Å²	142.7	81%	0.811	75%	0.749	S	S	*	*				-159.8	107.1	127.6	-155.7	157.5	-165.6	-140.7	-1.1	114.3
790	Q	35.7	Very low	33.8	Very low	112 Å²	112	142 Å²	142	52%	0.523	75%	0.747	S	S	.	*			trans	32.1	130.8	134.2	-62.3	162.9	28.2	0	0	120.6	E788	E788-Q790 PolarHBondContact OE1-NE2 3.33Å
791	Q	35.1	Very low	35.2	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	75%	0.747	S	S	*	*			cis	-120.5	-106.5	-7.6	-59.7	90.7	-3.3	0	0	113.4
792	T	30	Very low	33.9	Very low	117 Å²	117	143.3 Å²	143.3	72%	0.718	75%	0.753	S	S	*	*			cis	-160.9	156.3	0.3	-38.8	0	0	0	0	111.6
793	A	28.1	Very low	34	Very low	82 Å²	82	145.6 Å²	145.6	68%	0.678	76%	0.757	S	S	*	*			trans	49.5	95.4	161.2	0	0	0	0	0	122.3
794	H	29.1	Very low	34	Very low	165 Å²	165	146 Å²	146	76%	0.764	76%	0.76	S	S	*	*			trans	47.6	122.1	136.6	-62	-72.9	0	0	0	124.6
795	Q	30.1	Very low	33.2	Very low	175 Å²	175	149.8 Å²	149.8	82%	0.818	76%	0.76	S	S	*	*			trans	68.5	151.2	131.2	-63.7	-174.6	87.6	0	0	119.7
796	S	25.9	Very low	33.1	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	76%	0.758	S	S	*	*			cis	-159.4	-160	-18.2	63.5	0	0	0	0	111
797	R	25.1	Very low	33	Very low	230 Å²	230	144.8 Å²	144.8	87%	0.868	75%	0.749	S	S	*	*			trans	-66.8	178.7	176.7	-83.2	-179.6	167.4	-165.9	-0.4	113
798	P	51.5	Low	32.7	Very low	114 Å²	114	145.1 Å²	145.1	74%	0.74	75%	0.75	S	S	*	*			cis	-132	-145.8	-44.9	40.5	-23.5	0	0	0	110.5
799	V	25.7	Very low	32.5	Very low	136 Å²	136	148.1 Å²	148.1	82%	0.824	76%	0.761	S	S	*	*			trans	135.4	148.2	147.5	172.6	0	0	0	0	115.3
800	S	28.3	Very low	32.8	Very low	103 Å²	103	146 Å²	146	72%	0.72	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-79.5	173	-177.1	-49.8	0	0	0	0	114.1
801	P	55.4	Low	32.3	Very low	120 Å²	120	144.6 Å²	144.6	78%	0.779	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-92.6	158.5	-167	36.9	-35.8	0	0	0	115.2
802	P	35.2	Very low	32.1	Very low	125 Å²	125	145.1 Å²	145.1	81%	0.812	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-100.4	161.8	165.3	37.2	-31.7	0	0	0	113.8
803	L	39.2	Very low	31.9	Very low	167 Å²	167	144.3 Å²	144.3	87%	0.874	77%	0.769	S	S	*	*			trans	-104.9	138.7	172.1	-67.5	164.6	0	0	0	111
804	T	30.4	Very low	31.9	Very low	136 Å²	136	151.6 Å²	151.6	83%	0.834	78%	0.779	S	S	*	*			trans	-173.7	140.8	145.8	27	0	0	0	0	107.8
805	R	30	Very low	31.8	Very low	215 Å²	215	149.6 Å²	149.6	81%	0.811	78%	0.784	S	S	*	*			cis	95.3	137.3	36.1	-166.5	-167.9	178.7	-164.2	0.8	111.8
806	R	29.7	Very low	31.8	Very low	196 Å²	196	146.1 Å²	146.1	74%	0.74	78%	0.784	S	S	*	*			trans	89.8	145.8	175.7	-73.6	-163.4	146.2	151.8	-2.5	116.2	E808	R806-E808 IonicContact NE-OE2 3.2Å; R806-E808 PolarHBondContact NE-OE2 2.93Å
807	S	30.9	Very low	32.1	Very low	85 Å²	85	146.1 Å²	146.1	59%	0.594	79%	0.785	S	S	*	*			cis	-149.6	140.8	-5	-97.3	0	0	0	0	109.2
808	E	30.3	Very low	32.4	Very low	144 Å²	144	140.3 Å²	140.3	67%	0.673	78%	0.779	S	S	*	*				69.4	100.9	82.9	-60.6	167.5	87.3	0	0	117.5	R806	R806-E808 IonicContact NE-OE2 3.2Å; R806-E808 PolarHBondContact NE-OE2 2.93Å
809	K	28.1	Very low	31.2	Very low	202 Å²	202	140 Å²	140	88%	0.878	78%	0.78	S	S	*	*			trans	-166	127.3	132	-115	161.4	176.8	178	0	108
810	H	34.3	Very low	31.4	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.796	78%	0.778	S	S	*	*				61.8	135	66.8	-87.5	-122.1	0	0	0	113.8
811	S	26.7	Very low	32	Very low	82 Å²	82	140.3 Å²	140.3	57%	0.573	78%	0.78	S	S	*	*			cis	-177.6	154.5	-3.2	45	0	0	0	0	114.2
812	L	30	Very low	30.7	Very low	171 Å²	171	139.6 Å²	139.6	90%	0.895	78%	0.778	S	S	*	*			trans	71.4	162.1	160	-61.9	158.6	0	0	0	116.8
813	S	25.3	Very low	30.5	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	77%	0.774	S	S	*	*			cis	-148.7	163.2	12.1	64.1	0	0	0	0	115.8
814	R	28	Very low	30	Very low	235 Å²	235	136.5 Å²	136.5	89%	0.887	76%	0.764	S	S	*	*			trans	6.9	145.6	153.8	-63.2	176.2	169.3	167.9	-5.3	120.4
815	S	27.2	Very low	29.9	Very low	123 Å²	123	137.9 Å²	137.9	86%	0.86	76%	0.76	S	S	*	*				-162.6	177.7	61.4	-68.4	0	0	0	0	115.5
816	A	31.2	Very low	29.9	Very low	101 Å²	101	131.9 Å²	131.9	84%	0.835	75%	0.748	S	S	*	*			trans	-85.2	-178.7	-175.5	0	0	0	0	0	113.8
817	S	32.1	Very low	30.9	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	74%	0.743	S	S	*	*			cis	-146.9	-164.8	11.3	63	0	0	0	0	109.8
818	S	30.5	Very low	30.8	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	75%	0.752	S	S	*	*			cis	-153.7	-162.5	6	56.2	0	0	0	0	107.8
819	S	27.5	Very low	30.9	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	76%	0.762	S	S	*	*			cis	-150.9	154.2	2.4	51.4	0	0	0	0	111
820	T	29.1	Very low	30.8	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	76%	0.759	S	S	*	*			trans	-115.6	-174.9	-179	49	0	0	0	0	110.2
821	P	41.9	Very low	30.5	Very low	116 Å²	116	133.2 Å²	133.2	75%	0.753	76%	0.757	S	S	*	*			cis	-113.8	172.7	12.6	42.6	-28.5	0	0	0	114.5
822	S	28	Very low	30.7	Very low	106 Å²	106	136 Å²	136	74%	0.741	76%	0.76	S	S	*	*			cis	77.9	146.2	29.9	-62.8	0	0	0	0	115.5
823	S	30	Very low	30.5	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	76%	0.755	S	S	*	*			cis	-124.9	-147.7	-7.1	-151.3	0	0	0	0	109.3
824	N	28.9	Very low	30.7	Very low	122 Å²	122	134 Å²	134	65%	0.652	75%	0.754	S	S	*	*			cis	-156.9	175.8	-1	-130.9	12.2	0	0	0	106.5
825	Q	29.2	Very low	30.6	Very low	164 Å²	164	131.5 Å²	131.5	77%	0.766	75%	0.753	S	S	*	*			cis	-121.3	176.1	4.4	-82.5	-139.6	59.2	0	0	110.3
826	T	29.6	Very low	30.7	Very low	90 Å²	90	130.6 Å²	130.6	55%	0.552	75%	0.747	S	S	*	*			cis	85.5	139.2	21.8	55.4	0	0	0	0	116.1
827	P	50.8	Low	30.4	Very low	97 Å²	97	134.3 Å²	134.3	63%	0.63	75%	0.746	S	S	*	*				-149.3	-140.3	-116.5	45.8	-23.6	0	0	0	117.7
828	H	28.8	Very low	30.2	Very low	169 Å²	169	133.4 Å²	133.4	78%	0.782	74%	0.74	S	S	*	*			trans	93.8	150.2	175.7	-53	-69	0	0	0	116
829	T	30.8	Very low	30.1	Very low	143 Å²	143	133.7 Å²	133.7	88%	0.877	74%	0.742	S	S	*	*			cis	-124.3	-115.9	24.7	64.6	0	0	0	0	118
830	R	27.5	Very low	30.3	Very low	218 Å²	218	134.6 Å²	134.6	82%	0.823	75%	0.746	S	S	*	*			trans	-163.1	108.9	-136.6	-177.2	-169.5	-169.6	-141.4	11.9	118.8
831	R	27.8	Very low	30.4	Very low	199 Å²	199	134.9 Å²	134.9	75%	0.751	75%	0.747	S	S	*	*			trans	64.8	161.2	145.7	-62.9	176.4	155.4	-106	-0.9	123.5
832	H	31.1	Very low	30	Very low	141 Å²	141	135.2 Å²	135.2	65%	0.653	75%	0.747	S	S	*	*			trans	68.6	147.7	157.6	-67.7	-60.6	0	0	0	118.5
833	D	26.1	Very low	30.4	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	75%	0.746	S	S	*	*			cis	-152.4	-163.2	-26.3	-142.1	-76.4	0	0	0	110.9
834	A	28	Very low	31.2	Very low	83 Å²	83	131.5 Å²	131.5	69%	0.686	72%	0.721	S	S	*	*			trans	-96.2	148.8	-165.4	0	0	0	0	0	117.7
835	Q	27.5	Very low	32.4	Very low	184 Å²	184	129.2 Å²	129.2	86%	0.86	71%	0.711	S	S	*	*			trans	-170.4	119.9	144.8	-98.1	168.8	-3	0	0	105.5
836	S	28.3	Very low	33.6	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	70%	0.698	S	S	*	*				74.8	99.3	54.3	78.2	0	0	0	0	114.5
837	E	25.9	Very low	34.9	Very low	178 Å²	178	125.7 Å²	125.7	83%	0.832	69%	0.694	S	S	*	*			trans	-162.9	166.1	146.8	-110.3	-76.2	51.6	0	0	110.9
838	S	26.9	Very low	35.4	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	70%	0.697	S	S	*	*			trans	-100.7	141.8	-145	52.8	0	0	0	0	117
839	S	27.9	Very low	36.9	Very low	115 Å²	115	125 Å²	125	80%	0.804	69%	0.686	S	S	*	*			trans	-171	151.3	155.1	-92.3	0	0	0	0	113.1	V841	S839-V841 PolarHBondContact O-N 3.38Å
840	P	32.3	Very low	38.5	Very low	126 Å²	126	122.1 Å²	122.1	82%	0.818	67%	0.669	S	S	*	*			trans	-81.7	115.2	-158.6	29.7	-36	0	0	0	115.4	T842	P840-T842 PolarHBondContact O-N 3.37Å
841	V	31	Very low	40	Very low	134 Å²	134	121.2 Å²	121.2	81%	0.812	67%	0.671	S	S	*	*			trans	-77	116.7	166.9	177.8	0	0	0	0	110	S839 S843	S839-V841 PolarHBondContact O-N 3.38Å; V841-S843 PolarHBondContact O-N 3.25Å
842	T	33.1	Very low	41.2	Very low	123 Å²	123	119 Å²	119	76%	0.755	67%	0.674	S	S	*	*			trans	-74.7	91.1	170.8	44.5	0	0	0	0	110.5	P840 S844	P840-T842 PolarHBondContact O-N 3.37Å; T842-S844 PolarHBondContact O-N 3.32Å
843	S	36.7	Very low	42.6	Very low	104 Å²	104	117.4 Å²	117.4	73%	0.727	67%	0.665	S	S	*	*			trans	-53	129.1	174.3	47.5	0	0	0	0	110.4	V841	V841-S843 PolarHBondContact O-N 3.25Å
844	S	46.7	Very low	44.9	Very low	30 Å²	30	112 Å²	112	21%	0.21	64%	0.639	C	S	.	*			trans	-111.3	123.2	177	-55.8	0	0	0	0	107.8	T842 E846 K868	T842-S844 PolarHBondContact O-N 3.32Å; S844-E846 PolarHBondContact O-N 2.87Å; S844-K868 WeakPolarHBondContact OG-CE 3.43Å; S844-K868 PolarHBondContact OG-NZ 3.35Å
845	T	54.3	Low	47.7	Very low	73 Å²	73	109.9 Å²	109.9	45%	0.448	62%	0.616	S	S	.	*			trans	-69.9	112.2	-178.3	44.3	0	0	0	0	110.9	A857 D859	T845-A857 PolarHBondContact O-N 2.87Å; T845-D859 PolarHBondContact OG1-OD1 2.89Å
846	E	54.8	Low	50.4	Low	103 Å²	103	102.3 Å²	102.3	48%	0.481	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	113.4	175	-67.2	-152	-175.5	0	0	111.4	S844 S854 L855 H856	S844-E846 PolarHBondContact O-N 2.87Å; E846-S854 PolarHBondContact OE2-OG 2.89Å; E846-L855 WeakPolarHBondContact CA-O 3.49Å; E846-H856 VanDerWaalsContact CD-ND1 3.33Å; E846-H856 IonicContact OE1-CE1 3.9Å; E846-H856 PolarHBondContact OE1-CE1 3.31Å; E846-H856 IonicContact OE1-ND1 2.86Å; E846-H856 PolarHBondContact OE1-ND1 2.96Å; E846-H856 IonicContact OE2-CE1 3.45Å
847	V	57.5	Low	53.1	Low	78 Å²	78	98 Å²	98	47%	0.473	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	111.1	178.3	-176.2	0	0	0	0	108.6	V849 S854 L855 A857	V847-V849 PolarHBondContact O-N 3.17Å; V847-S854 CarbonylContact O-C 3.57Å; V847-S854 WeakPolarHBondContact O-CA 3.4Å; V847-L855 PolarHBondContact N-O 2.96Å; V847-L855 PolarHBondContact O-N 2.98Å; V847-A857 HydrophobicContact CG2-CB 4.43Å
848	K	61	Low	56.1	Low	161 Å²	161	89.5 Å²	89.5	70%	0.7	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	119.7	174	-81.7	178.4	176.9	172.2	0	110.4
849	V	59	Low	58.7	Low	91 Å²	91	89.1 Å²	89.1	55%	0.552	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	-29.1	176	-177.8	0	0	0	0	110.8	V847 F853 L855	V847-V849 PolarHBondContact O-N 3.17Å; V849-F853 PolarHBondContact N-O 2.81Å; V849-L855 HydrophobicContact CG2-CD1 3.83Å; V849-L855 HydrophobicContact CG2-CG 3.98Å
850	T	64.2	Low	61	Low	82 Å²	82	89.7 Å²	89.7	50%	0.503	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	170.6	165.6	68.6	0	0	0	0	110.1	N852 F853	T850-N852 PolarHBondContact O-N 3.24Å; T850-F853 PolarHBondContact N-O 3.38Å; T850-F853 PolarHBondContact O-N 3.48Å; T850-F853 VanDerWaalsContact O-N 3.12Å; T850-F853 WeakPolarHBondContact OG1-CB 3.39Å; T850-F853 PolarHBondContact OG1-N 3.38Å
851	K	60.8	Low	63.4	Low	199 Å²	199	86.2 Å²	86.2	87%	0.865	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-25.2	177.5	-159.9	169.8	-174.4	174.7	0	113.6
852	N	52.2	Low	65.8	Low	153 Å²	153	82.9 Å²	82.9	82%	0.818	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	7.9	-176.7	-61.7	21.4	0	0	0	113.7	T850	T850-N852 PolarHBondContact O-N 3.24Å
853	F	59.4	Low	68.3	Low	106 Å²	106	84.8 Å²	84.8	47%	0.465	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	111.8	-175.1	-164.3	-109	0	0	0	112.4	V849 T850 L855 A866	V849-F853 PolarHBondContact N-O 2.81Å; T850-F853 PolarHBondContact N-O 3.38Å; T850-F853 PolarHBondContact O-N 3.48Å; T850-F853 VanDerWaalsContact O-N 3.12Å; T850-F853 WeakPolarHBondContact OG1-CB 3.39Å; T850-F853 PolarHBondContact OG1-N 3.38Å; F853-L855 HydrophobicContact CD1-CD2 4.37Å; F853-L855 HydrophobicContact CE1-CD2 3.6Å; F853-L855 HydrophobicContact CE1-CG 4.36Å; F853-L855 HydrophobicContact CZ-CD2 4.07Å; F853-A866 HydrophobicContact CZ-CB 4.03Å
854	S	75.8	Confident	70.8	Confident	33 Å²	33	82.3 Å²	82.3	23%	0.231	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	150.3	169.6	52.4	0	0	0	0	112.1	E846 V847	E846-S854 PolarHBondContact OE2-OG 2.89Å; V847-S854 CarbonylContact O-C 3.57Å; V847-S854 WeakPolarHBondContact O-CA 3.4Å
855	L	85.6	Confident	72.8	Confident	38 Å²	38	83 Å²	83	20%	0.199	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.2	167.9	-58.6	179.1	0	0	0	108.6	E846 V847 V849 F853 A864 A866	E846-L855 WeakPolarHBondContact CA-O 3.49Å; V847-L855 PolarHBondContact N-O 2.96Å; V847-L855 PolarHBondContact O-N 2.98Å; V849-L855 HydrophobicContact CG2-CD1 3.83Å; V849-L855 HydrophobicContact CG2-CG 3.98Å; F853-L855 HydrophobicContact CD1-CD2 4.37Å; F853-L855 HydrophobicContact CE1-CD2 3.6Å; F853-L855 HydrophobicContact CE1-CG 4.36Å; F853-L855 HydrophobicContact CZ-CD2 4.07Å; L855-A864 HydrophobicContact CB-CB 4.04Å; L855-A864 HydrophobicContact CD1-CB 4.02Å; L855-A866 HydrophobicContact CD2-CB 3.79Å
856	H	85.1	Confident	74.4	Confident	24 Å²	24	82.2 Å²	82.2	11%	0.111	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123	175.1	-38.4	-94.7	0	0	0	108.9	E846 F865 K868 L871	E846-H856 VanDerWaalsContact CD-ND1 3.33Å; E846-H856 IonicContact OE1-CE1 3.9Å; E846-H856 PolarHBondContact OE1-CE1 3.31Å; E846-H856 IonicContact OE1-ND1 2.86Å; E846-H856 PolarHBondContact OE1-ND1 2.96Å; E846-H856 IonicContact OE2-CE1 3.45Å; H856-F865 PolarHBondContact CD2-O 3.45Å; H856-F865 PolarHBondContact N-O 2.86Å; H856-F865 PolarHBondContact O-N 2.88Å; H856-K868 PolarHBondContact CD2-N 3.47Å; H856-K868 PolarHBondContact NE2-N 2.98Å; H856-L871 HydrophobicContact CB-CB 4.45Å; H856-L871 HydrophobicContact CB-CD2 3.6Å
857	A	85.3	Confident	75.7	Confident	13 Å²	13	83.3 Å²	83.3	11%	0.107	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	157.7	-177.4	0	0	0	0	0	112.8	T845 V847 R863 L871	T845-A857 PolarHBondContact O-N 2.87Å; V847-A857 HydrophobicContact CG2-CB 4.43Å; A857-R863 CarbonylContact C-O 3.48Å; A857-L871 VanDerWaalsContact O-CD1 3.29Å; A857-L871 WeakPolarHBondContact O-CD1 3.42Å; A857-L871 WeakPolarHBondContact O-CD2 3.38Å
858	C	88.7	Confident	77	Confident	1 Å²	1	84 Å²	84	1%	0.007	44%	0.442	C	S	.	.			trans	-100.9	110.6	174.2	-167.8	0	0	0	0	110.6	Q860 C861 G862 R863 F865 L871	C858-Q860 PolarHBondContact O-N 2.97Å; C858-C861 VanDerWaalsContact CB-SG 3.57Å; C858-C861 PolarHBondContact O-N 3.35Å; C858-C861 VanDerWaalsContact SG-SG 3.63Å; C858-G862 PolarHBondContact O-N 3.5Å; C858-R863 WeakPolarHBondContact CB-O 3.32Å; C858-R863 PolarHBondContact N-O 3.25Å; C858-F865 HydrophobicContact CB-CE2 4.3Å; C858-L871 HydrophobicContact CB-CD1 3.47Å; C858-L871 VanDerWaalsContact CB-CD1 3.47Å
859	D	81.5	Confident	78.3	Confident	85 Å²	85	83 Å²	83	46%	0.455	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.6	-172.2	-29.5	-88	0	0	0	113.2	T845 K875	T845-D859 PolarHBondContact OG1-OD1 2.89Å; D859-K875 WeakPolarHBondContact OD2-CE 3.23Å; D859-K875 IonicContact OD2-NZ 2.66Å; D859-K875 PolarHBondContact OD2-NZ 2.68Å
860	Q	76	Confident	79.6	Confident	127 Å²	127	85.5 Å²	85.5	59%	0.593	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-2.8	176.7	-62.2	-177.7	7.7	0	0	114.1	C858 H878	C858-Q860 PolarHBondContact O-N 2.97Å; Q860-H878 VanDerWaalsContact OE1-CG 3.25Å
861	C	83.4	Confident	80.8	Confident	53 Å²	53	81.7 Å²	81.7	36%	0.358	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.6	9.1	-177.9	64.3	0	0	0	0	115.9	C858 R863 H874 H878	C858-C861 VanDerWaalsContact CB-SG 3.57Å; C858-C861 PolarHBondContact O-N 3.35Å; C858-C861 VanDerWaalsContact SG-SG 3.63Å; C861-R863 PolarHBondContact O-N 3.45Å; C861-H874 PolarHBondContact SG-NE2 3.15Å; C861-H878 PolarHBondContact SG-NE2 3.42Å
862	G	81.6	Confident	82	Confident	63 Å²	63	75.7 Å²	75.7	65%	0.649	40%	0.395	S	S	*	.			trans	68.9	-10.3	179.7	0	0	0	0	0	116.3	C858 A864	C858-G862 PolarHBondContact O-N 3.5Å; G862-A864 PolarHBondContact O-N 3.06Å
863	R	84.4	Confident	83.7	Confident	163 Å²	163	72 Å²	72	62%	0.615	38%	0.381	S	S	*	.			trans	-65	124.6	-173.6	-69	-176.1	173.3	-164.7	-1.3	112	A857 C858 C861 F865	A857-R863 CarbonylContact C-O 3.48Å; C858-R863 WeakPolarHBondContact CB-O 3.32Å; C858-R863 PolarHBondContact N-O 3.25Å; C861-R863 PolarHBondContact O-N 3.45Å; R863-F865 HydrophobicContact CB-CE2 3.72Å; R863-F865 HydrophobicContact CB-CZ 3.93Å; R863-F865 VanDerWaalsContact O-CD2 3.3Å; R863-F865 WeakPolarHBondContact O-CD2 3.44Å; R863-F865 WeakPolarHBondContact O-CE2 3.08Å
864	A	89.4	Confident	85	Confident	53 Å²	53	68.5 Å²	68.5	44%	0.438	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139	-178	0	0	0	0	0	112.6	L855 G862	L855-A864 HydrophobicContact CB-CB 4.04Å; L855-A864 HydrophobicContact CD1-CB 4.02Å; G862-A864 PolarHBondContact O-N 3.06Å
865	F	89	Confident	85.4	Confident	45 Å²	45	69.1 Å²	69.1	20%	0.197	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134	-173.7	-62.8	-88.6	0	0	0	112.3	H856 C858 R863 K867 L871 H874	H856-F865 PolarHBondContact CD2-O 3.45Å; H856-F865 PolarHBondContact N-O 2.86Å; H856-F865 PolarHBondContact O-N 2.88Å; C858-F865 HydrophobicContact CB-CE2 4.3Å; R863-F865 HydrophobicContact CB-CE2 3.72Å; R863-F865 HydrophobicContact CB-CZ 3.93Å; R863-F865 VanDerWaalsContact O-CD2 3.3Å; R863-F865 WeakPolarHBondContact O-CD2 3.44Å; R863-F865 WeakPolarHBondContact O-CE2 3.08Å; F865-K867 PolarHBondContact O-N 3.38Å; F865-K867 VanDerWaalsContact O-N 3.09Å; F865-L871 HydrophobicContact CB-CB 4.24Å; F865-L871 HydrophobicContact CD2-CB 3.97Å; F865-L871 HydrophobicContact CD2-CD1 3.96Å; F865-L871 HydrophobicContact CE2-CD1 4.22Å; F865-L871 HydrophobicContact CG-CB 4.3Å; F865-H874 HydrophobicContact CE1-CB 4.27Å; F865-H874 HydrophobicContact CE2-CB 3.98Å; F865-H874 AromaticContact CE2-CD2 3.41Å; F865-H874 VanDerWaalsContact CE2-CD2 3.41Å; F865-H874 WeakPolarHBondContact CE2-CD2 3.39Å; F865-H874 AromaticContact CE2-CG 3.88Å; F865-H874 HydrophobicContact CZ-CB 3.66Å; F865-H874 AromaticContact CZ-CD2 3.33Å; F865-H874 WeakPolarHBondContact CZ-CD2 3.47Å; F865-H874 AromaticContact CZ-CG 3.47Å; F865-H874 VanDerWaalsContact CZ-CG 3.47Å
866	A	86.7	Confident	85.2	Confident	55 Å²	55	73.8 Å²	73.8	46%	0.455	38%	0.38	S	S	.	.	S	Bend	trans	-72.3	1.5	-178	0	0	0	0	0	115.7	F853 L855	F853-A866 HydrophobicContact CZ-CB 4.03Å; L855-A866 HydrophobicContact CD2-CB 3.79Å
867	K	83.8	Confident	84.9	Confident	126 Å²	126	76 Å²	76	55%	0.548	40%	0.398	S	S	.	.	S	Bend	trans	-152.9	136.2	171.1	-56.7	-172.7	-178.1	-175.2	0	110.4	F865 L869 Y870	F865-K867 PolarHBondContact O-N 3.38Å; F865-K867 VanDerWaalsContact O-N 3.09Å; K867-L869 PolarHBondContact O-N 3.02Å; K867-L869 VanDerWaalsContact O-N 3.1Å; K867-Y870 HydrophobicContact CB-CD2 3.8Å; K867-Y870 HydrophobicContact CB-CE2 4.14Å; K867-Y870 HydrophobicContact CD-CE2 3.97Å; K867-Y870 HydrophobicContact CG-CD2 4.24Å; K867-Y870 HydrophobicContact CG-CE2 4.15Å; K867-Y870 PolarHBondContact O-N 2.84Å
868	K	84.8	Confident	84.4	Confident	94 Å²	94	77.5 Å²	77.5	41%	0.409	40%	0.403	S	S	.	.	H	α-helix	trans	-52.9	-35.2	-179.5	-167.4	169.4	-177.3	172	0	113.2	S844 H856 Y870 L871 E872	S844-K868 WeakPolarHBondContact OG-CE 3.43Å; S844-K868 PolarHBondContact OG-NZ 3.35Å; H856-K868 PolarHBondContact CD2-N 3.47Å; H856-K868 PolarHBondContact NE2-N 2.98Å; K868-Y870 VanDerWaalsContact C-N 3.29Å; K868-Y870 PolarHBondContact O-N 3.47Å; K868-L871 WeakPolarHBondContact O-CB 3.48Å; K868-L871 PolarHBondContact O-N 3.4Å; K868-E872 WeakPolarHBondContact O-CB 3.18Å; K868-E872 PolarHBondContact O-N 2.89Å
869	L	88	Confident	83.6	Confident	139 Å²	139	86.1 Å²	86.1	73%	0.728	44%	0.435	S	S	*	.	H	α-helix	trans	-60.3	-30.8	176.1	-67.3	174.7	0	0	0	114.6	K867 S873	K867-L869 PolarHBondContact O-N 3.02Å; K867-L869 VanDerWaalsContact O-N 3.1Å; L869-S873 PolarHBondContact O-N 3.11Å
870	Y	86.2	Confident	82.4	Confident	143 Å²	143	88.4 Å²	88.4	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-77.8	-38.4	175.9	-64.1	-55	0	0	0	111.4	K867 K868 E872 S873 H874	K867-Y870 HydrophobicContact CB-CD2 3.8Å; K867-Y870 HydrophobicContact CB-CE2 4.14Å; K867-Y870 HydrophobicContact CD-CE2 3.97Å; K867-Y870 HydrophobicContact CG-CD2 4.24Å; K867-Y870 HydrophobicContact CG-CE2 4.15Å; K867-Y870 PolarHBondContact O-N 2.84Å; K868-Y870 VanDerWaalsContact C-N 3.29Å; K868-Y870 PolarHBondContact O-N 3.47Å; Y870-E872 VanDerWaalsContact C-N 3.35Å; Y870-S873 PolarHBondContact O-N 2.91Å; Y870-H874 WeakPolarHBondContact O-CB 3.48Å; Y870-H874 PolarHBondContact O-N 3.38Å
871	L	90.1	Very high	81.5	Confident	2 Å²	2	85.3 Å²	85.3	1%	0.01	44%	0.443	C	S	.	.	H	α-helix	trans	-58.7	-46.5	168.8	172.7	62.7	0	0	0	111.2	H856 A857 C858 F865 K868 S873 H874 K875	H856-L871 HydrophobicContact CB-CB 4.45Å; H856-L871 HydrophobicContact CB-CD2 3.6Å; A857-L871 VanDerWaalsContact O-CD1 3.29Å; A857-L871 WeakPolarHBondContact O-CD1 3.42Å; A857-L871 WeakPolarHBondContact O-CD2 3.38Å; C858-L871 HydrophobicContact CB-CD1 3.47Å; C858-L871 VanDerWaalsContact CB-CD1 3.47Å; F865-L871 HydrophobicContact CB-CB 4.24Å; F865-L871 HydrophobicContact CD2-CB 3.97Å; F865-L871 HydrophobicContact CD2-CD1 3.96Å; F865-L871 HydrophobicContact CE2-CD1 4.22Å; F865-L871 HydrophobicContact CG-CB 4.3Å; K868-L871 WeakPolarHBondContact O-CB 3.48Å; K868-L871 PolarHBondContact O-N 3.4Å; L871-S873 VanDerWaalsContact C-N 3.29Å; L871-S873 PolarHBondContact O-N 3.28Å; L871-H874 CarbonylContact O-C 3.47Å; L871-H874 WeakPolarHBondContact O-CA 3.14Å; L871-H874 WeakPolarHBondContact O-CB 3.45Å; L871-H874 PolarHBondContact O-N 3.42Å; L871-K875 HydrophobicContact CD1-CD 4.36Å; L871-K875 HydrophobicContact CD1-CG 4.11Å; L871-K875 HydrophobicContact CG-CD 4.4Å; L871-K875 HydrophobicContact CG-CG 4.49Å; L871-K875 PolarHBondContact O-N 3.4Å
872	E	84.9	Confident	80	Confident	74 Å²	74	87.4 Å²	87.4	35%	0.346	46%	0.455	S	S	.	.	H	α-helix	trans	-58.3	-40.5	175.7	-153	69.8	-116.6	0	0	111.7	K868 Y870 H874 R876	K868-E872 WeakPolarHBondContact O-CB 3.18Å; K868-E872 PolarHBondContact O-N 2.89Å; Y870-E872 VanDerWaalsContact C-N 3.35Å; E872-H874 VanDerWaalsContact C-N 3.29Å; E872-R876 VanDerWaalsContact C-NH1 3.27Å; E872-R876 WeakPolarHBondContact O-CG 3.27Å; E872-R876 PolarHBondContact O-NH1 3.19Å
873	S	87.9	Confident	78.5	Confident	75 Å²	75	89.7 Å²	89.7	52%	0.524	46%	0.456	S	S	.	.	H	α-helix	trans	-69.6	-26.5	173.8	-170	0	0	0	0	113	L869 Y870 L871	L869-S873 PolarHBondContact O-N 3.11Å; Y870-S873 PolarHBondContact O-N 2.91Å; L871-S873 VanDerWaalsContact C-N 3.29Å; L871-S873 PolarHBondContact O-N 3.28Å
874	H	86.6	Confident	76.5	Confident	33 Å²	33	84.6 Å²	84.6	15%	0.153	45%	0.454	C	S	.	.	H	α-helix	trans	-83.6	-40.7	-179.9	-174.5	49.7	0	0	0	112.3	C861 F865 Y870 L871 E872 R876 S877 H878	C861-H874 PolarHBondContact SG-NE2 3.15Å; F865-H874 HydrophobicContact CE1-CB 4.27Å; F865-H874 HydrophobicContact CE2-CB 3.98Å; F865-H874 AromaticContact CE2-CD2 3.41Å; F865-H874 VanDerWaalsContact CE2-CD2 3.41Å; F865-H874 WeakPolarHBondContact CE2-CD2 3.39Å; F865-H874 AromaticContact CE2-CG 3.88Å; F865-H874 HydrophobicContact CZ-CB 3.66Å; F865-H874 AromaticContact CZ-CD2 3.33Å; F865-H874 WeakPolarHBondContact CZ-CD2 3.47Å; F865-H874 AromaticContact CZ-CG 3.47Å; F865-H874 VanDerWaalsContact CZ-CG 3.47Å; Y870-H874 WeakPolarHBondContact O-CB 3.48Å; Y870-H874 PolarHBondContact O-N 3.38Å; L871-H874 CarbonylContact O-C 3.47Å; L871-H874 WeakPolarHBondContact O-CA 3.14Å; L871-H874 WeakPolarHBondContact O-CB 3.45Å; L871-H874 PolarHBondContact O-N 3.42Å; E872-H874 VanDerWaalsContact C-N 3.29Å; H874-R876 PolarHBondContact O-N 2.91Å; H874-S877 WeakPolarHBondContact O-CA 3.18Å; H874-S877 WeakPolarHBondContact O-CB 3.34Å; H874-S877 PolarHBondContact O-N 2.82Å; H874-H878 AromaticContact CE1-NE2 3.96Å; H874-H878 AromaticContact NE2-NE2 3.69Å
875	K	84	Confident	74.1	Confident	46 Å²	46	85.5 Å²	85.5	20%	0.2	46%	0.462	C	S	.	.	H	α-helix	trans	-57.2	-31.2	173.6	-73.8	-173	172.8	-171.7	0	112.5	D859 L871 S877 H878	D859-K875 WeakPolarHBondContact OD2-CE 3.23Å; D859-K875 IonicContact OD2-NZ 2.66Å; D859-K875 PolarHBondContact OD2-NZ 2.68Å; L871-K875 HydrophobicContact CD1-CD 4.36Å; L871-K875 HydrophobicContact CD1-CG 4.11Å; L871-K875 HydrophobicContact CG-CD 4.4Å; L871-K875 HydrophobicContact CG-CG 4.49Å; L871-K875 PolarHBondContact O-N 3.4Å; K875-S877 VanDerWaalsContact C-N 3.29Å; K875-S877 PolarHBondContact O-N 3.34Å; K875-H878 PolarHBondContact O-N 3.32Å
876	R	82.4	Confident	71.8	Confident	135 Å²	135	87.6 Å²	87.6	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-27.3	170.6	-67.9	178.1	-171.5	101.6	0.2	113.8	E872 H874 H878 N880	E872-R876 VanDerWaalsContact C-NH1 3.27Å; E872-R876 WeakPolarHBondContact O-CG 3.27Å; E872-R876 PolarHBondContact O-NH1 3.19Å; H874-R876 PolarHBondContact O-N 2.91Å; R876-H878 VanDerWaalsContact C-N 3.34Å; R876-N880 PolarHBondContact O-N 3.07Å; R876-N880 PolarHBondContact O-OD1 3.22Å
877	S	77.6	Confident	69.5	Low	72 Å²	72	90.1 Å²	90.1	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-68	-33.6	177.1	-159.5	0	0	0	0	112.3	H874 K875 A881	H874-S877 WeakPolarHBondContact O-CA 3.18Å; H874-S877 WeakPolarHBondContact O-CB 3.34Å; H874-S877 PolarHBondContact O-N 2.82Å; K875-S877 VanDerWaalsContact C-N 3.29Å; K875-S877 PolarHBondContact O-N 3.34Å; S877-A881 PolarHBondContact O-N 3.44Å
878	H	75.5	Confident	67.5	Low	43 Å²	43	95 Å²	95	20%	0.199	52%	0.516	C	S	.	.	H	α-helix	trans	-71.4	-43.1	177.1	-70.8	-93.5	0	0	0	112	Q860 C861 H874 K875 R876 N880 A881 T882	Q860-H878 VanDerWaalsContact OE1-CG 3.25Å; C861-H878 PolarHBondContact SG-NE2 3.42Å; H874-H878 AromaticContact CE1-NE2 3.96Å; H874-H878 AromaticContact NE2-NE2 3.69Å; K875-H878 PolarHBondContact O-N 3.32Å; R876-H878 VanDerWaalsContact C-N 3.34Å; H878-N880 PolarHBondContact O-N 3.08Å; H878-A881 WeakPolarHBondContact O-CB 3.48Å; H878-A881 PolarHBondContact O-N 3.35Å; H878-T882 PolarHBondContact O-N 3.27Å; H878-T882 VanDerWaalsContact O-N 3.16Å
879	R	70.8	Confident	65.5	Low	183 Å²	183	101.6 Å²	101.6	69%	0.691	54%	0.539	S	S	*	.	H	α-helix	trans	-59	-30.9	175.4	-71	-176.3	175	159	-0.1	113.2	T882	R879-T882 PolarHBondContact O-OG1 2.97Å
880	N	57.7	Low	63	Low	132 Å²	132	105 Å²	105	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-80.7	-16.2	175.8	-67.4	9	0	0	0	113.2	R876 H878	R876-N880 PolarHBondContact O-N 3.07Å; R876-N880 PolarHBondContact O-OD1 3.22Å; H878-N880 PolarHBondContact O-N 3.08Å
881	A	55.8	Low	60.5	Low	62 Å²	62	102 Å²	102	51%	0.512	56%	0.56	S	S	.	*	H	α-helix	trans	-87.6	-41.4	179.2	0	0	0	0	0	112.2	S877 H878 V883 G884	S877-A881 PolarHBondContact O-N 3.44Å; H878-A881 WeakPolarHBondContact O-CB 3.48Å; H878-A881 PolarHBondContact O-N 3.35Å; A881-V883 VanDerWaalsContact C-N 3.34Å; A881-V883 PolarHBondContact O-N 2.73Å; A881-G884 PolarHBondContact O-N 2.7Å; A881-G884 VanDerWaalsContact O-N 3.1Å
882	T	53.2	Low	57.7	Low	98 Å²	98	108.6 Å²	108.6	60%	0.601	60%	0.6	S	S	*	*	H	α-helix	trans	-62.8	-38	180	45.7	0	0	0	0	113	H878 R879 G884 A885	H878-T882 PolarHBondContact O-N 3.27Å; H878-T882 VanDerWaalsContact O-N 3.16Å; R879-T882 PolarHBondContact O-OG1 2.97Å; T882-G884 PolarHBondContact O-N 3.48Å; T882-A885 PolarHBondContact O-N 3.05Å; T882-A885 VanDerWaalsContact O-N 3.15Å
883	V	50.8	Low	55.2	Low	111 Å²	111	110.1 Å²	110.1	67%	0.673	62%	0.619	S	S	*	*	H	α-helix	trans	-62.7	-30.2	175.5	178.8	0	0	0	0	112.1	A881 A885	A881-V883 VanDerWaalsContact C-N 3.34Å; A881-V883 PolarHBondContact O-N 2.73Å; V883-A885 VanDerWaalsContact C-N 3.34Å
884	G	40.4	Very low	52.6	Low	55 Å²	55	113.2 Å²	113.2	57%	0.567	64%	0.635	S	S	*	*	H	α-helix	trans	-72.6	-22.7	176.5	0	0	0	0	0	114.4	A881 T882	A881-G884 PolarHBondContact O-N 2.7Å; A881-G884 VanDerWaalsContact O-N 3.1Å; T882-G884 PolarHBondContact O-N 3.48Å
885	A	40.9	Very low	50	Low	73 Å²	73	121.9 Å²	121.9	60%	0.603	67%	0.666	S	S	*	*	H	α-helix	trans	-83.6	-32.1	-178	0	0	0	0	0	113.2	T882 V883 S887 R888	T882-A885 PolarHBondContact O-N 3.05Å; T882-A885 VanDerWaalsContact O-N 3.15Å; V883-A885 VanDerWaalsContact C-N 3.34Å; A885-S887 PolarHBondContact O-N 3.43Å; A885-R888 PolarHBondContact O-N 3.16Å
886	A	39.2	Very low	47.5	Very low	88 Å²	88	125.2 Å²	125.2	73%	0.727	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-23.7	-175.4	0	0	0	0	0	114	R888	A886-R888 VanDerWaalsContact C-N 3.32Å; A886-R888 PolarHBondContact O-N 3.28Å
887	S	39	Very low	45.4	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	5.2	-175.5	-165.3	0	0	0	0	115	A885	A885-S887 PolarHBondContact O-N 3.43Å
888	R	41.1	Very low	43.1	Very low	228 Å²	228	129.6 Å²	129.6	86%	0.86	72%	0.722	S	S	*	*	S	Bend	trans	-122	42.9	-178.2	-80.8	-167	168.5	-152.3	-3.3	113.9	A885 A886	A885-R888 PolarHBondContact O-N 3.16Å; A886-R888 VanDerWaalsContact C-N 3.32Å; A886-R888 PolarHBondContact O-N 3.28Å
889	R	42.6	Very low	41.2	Very low	234 Å²	234	134.9 Å²	134.9	88%	0.883	75%	0.751	S	S	*	*			trans	-142.8	81.6	165.7	-70.4	-165.6	-176.6	-164.6	1.3	112.3
890	K	37	Very low	39.3	Very low	209 Å²	209	131.7 Å²	131.7	91%	0.909	75%	0.752	S	S	*	*			trans	-159.8	78.8	158.1	-108.5	-176.5	-179.5	-170	0	108.8
891	G	33.1	Very low	38.3	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-85.6	131.8	160.6	0	0	0	0	0	108
892	V	31.1	Very low	37.5	Very low	141 Å²	141	144.9 Å²	144.9	86%	0.855	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.3	135.3	176.3	176.1	0	0	0	0	108.6
893	S	31.6	Very low	36.6	Very low	107 Å²	107	147.3 Å²	147.3	75%	0.748	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-100.7	120.3	177.1	-179.1	0	0	0	0	109.6
894	T	33.4	Very low	35.9	Very low	139 Å²	139	149.3 Å²	149.3	85%	0.853	81%	0.808	S	S	*	*			trans	-87.1	109.4	171.6	39.6	0	0	0	0	109.7
895	R	33.4	Very low	35.6	Very low	216 Å²	216	154.9 Å²	154.9	82%	0.815	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103	116.1	178.3	176.5	-179.3	176.1	-163.6	-0.1	110.9
896	S	31.5	Very low	35.3	Very low	116 Å²	116	160 Å²	160	81%	0.811	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.7	149.5	163	-60.2	0	0	0	0	111.2
897	K	37.8	Very low	35	Very low	191 Å²	191	164.8 Å²	164.8	83%	0.83	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-94.8	151.6	-173.2	-61.1	173.3	-177.8	172.3	0	112.5
898	S	29.3	Very low	34.7	Very low	107 Å²	107	168.9 Å²	168.9	75%	0.748	85%	0.849	S	S	*	*			trans	-142.1	154.6	140.7	51.5	0	0	0	0	108.4
899	L	34.7	Very low	34.2	Very low	154 Å²	154	164.3 Å²	164.3	81%	0.806	85%	0.848	S	S	*	*			trans	-99	167.3	-179.5	-69.7	74.4	0	0	0	109.8
900	V	32.7	Very low	33.5	Very low	117 Å²	117	158.5 Å²	158.5	71%	0.709	85%	0.845	S	S	*	*				159.7	132.7	111.9	162.7	0	0	0	0	109.7
901	W	36.7	Very low	33.2	Very low	325 Å²	325	153.9 Å²	153.9	100%	1.231	84%	0.839	S	S	*	*			trans	63.2	0	172.9	-63.1	-6.4	0	0	0	116.6

Retrieved 901 of 901 residues in 654.4 ms (Link to these results)

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