A0A087XMX3_POEFO Loading...

Phosphoinositide phospholipase C

AlphaFold DB , UniProt , Accession A0A087XMX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,109 aa.

						>A0A087XMX3_POEFO|A0A087XMX3
MAELGEDGRLPPVHFGHTAVPSDEAAGKTHCEVSVLNGDCGISENMMCSGSPLTPGSQTGVETANTSVGPDAKSDIPRRSSIIKDGRQRKERKKTVSFSSMPTEKKISRVSDCINAMVDGSELKKVRSNSRIYHRYFLLDADMQSLRWEPTKKESEKAKIDVKSIKEVRTGKNTETFRTNGTYDQISEDCAFSIIFGENYESLDLVANTADVANIWVTGLRYLISYGKHTLNMIESSQNNLRSSWLSDLFDEEDVNHNKQIAICAAVQLIKKLNPGLKNVKIELKFKELHKAQDKSGSDVTKEEFAEVFHDLCTRPEIYFLFVQFSSNKEFLDTKDLMIFLEAEQGMAQVSEDTSLNVIHKYEPSKEGQLKGWLSLDGFSNYLMSAECHIFDPEHKSVCQDMNQPLSHYYINASHNTYLIEDQFRGPSDVTGYIRALKMGCRCVELDVWDGSDNEPVIYTGHTMTSQIVFRSVIDVINKYAFVASEFPLILCLENHCSVKQQKVMFQHLKKILGDRIHVDSPKLEDCYLPSPSELKGKILLKGKKLDTNCTASEGEVTDEDEGAEMSQRMSIESTEQQTNAPKKIPLLKDLSDLVTLCKSVEFKDFPTSFQKQKPWELCSFNEVFATRCACDFPGDFVNYNKKFLARVYPSPMRIDSSNMNPQDFWKCGCQIVAMNYQTPGLMMDLNIGWFRQNGNSGYVLRPAIMREQVSYFSANTKDSVPGVSPQLLHIKIISGQNFPKPKGSGAKGDVVDPYVYVEIHGIPADCAEQRTKTVHQNGDNPLFDESFEFQINLPELAMVRFVVLDDDYIGDEFIGQYTIPFECLQPGFRHVPLQSLTGELLPHTLLFVHVAITNRRGGGKPHKRGLSVRKGKKSREYASMRVLQIKAVDEVFKTALLPLREATDLRENMQNAIVSFKELCGLSAVANLKQCILALSPRLTGPDNSPLLLFNLSDPYPNLELQGLLPEVLKKVVTSYDMMIQTSKILLESSDCVYERILQTQKAAMEFHENLHDLAVKEGLKGRKLHKAVESFTWNITILKGQADLLKHARSEVQENLKQIHYSALTCNLSKGGTAGGSSGSTDSKSRRSLEAIPEKATGEEELTDEEN
					

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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	32	Very low	28.3	Very low	244 Å²	244	155.7 Å²	155.7	100%	1.202	87%	0.866	S	S	*	*				0	155	0	-85.7	-170.8	172.9	0	0	108.1
2	A	27.7	Very low	28.4	Very low	103 Å²	103	153.6 Å²	153.6	85%	0.851	87%	0.865	S	S	*	*			trans	70.2	131.4	-162.2	0	0	0	0	0	113.3
3	E	30.9	Very low	28.3	Very low	184 Å²	184	151.3 Å²	151.3	86%	0.86	86%	0.856	S	S	*	*			trans	-130.2	-166.7	-179	-62.1	175.4	115.8	0	0	108.4
4	L	29.6	Very low	27.9	Very low	181 Å²	181	153.4 Å²	153.4	95%	0.948	86%	0.855	S	S	*	*			trans	80.3	134.3	179.9	-48.1	169.9	0	0	0	114
5	G	25.7	Very low	27.9	Very low	73 Å²	73	156.1 Å²	156.1	75%	0.753	85%	0.854	S	S	*	*			cis	-169.5	173.1	-2.7	0	0	0	0	0	112
6	E	32.4	Very low	27.8	Very low	200 Å²	200	150.5 Å²	150.5	94%	0.935	84%	0.843	S	S	*	*			trans	-88.9	179.1	-173.8	-67.6	-172.2	107.5	0	0	115
7	D	26.2	Very low	27.7	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	85%	0.848	S	S	*	*			trans	85.2	133.4	163.5	-122.6	-22.6	0	0	0	118.8
8	G	25.9	Very low	27.7	Very low	70 Å²	70	153 Å²	153	72%	0.722	85%	0.851	S	S	*	*			trans	171.7	56.3	-168.5	0	0	0	0	0	115.1
9	R	25.8	Very low	27.6	Very low	231 Å²	231	149.7 Å²	149.7	87%	0.872	85%	0.846	S	S	*	*			trans	-67.2	143.1	177.5	-60.4	-177.1	-175.6	-163.4	-0.6	112.4
10	L	28.4	Very low	27.7	Very low	167 Å²	167	148.6 Å²	148.6	87%	0.874	84%	0.842	S	S	*	*			trans	-115.6	146.4	169.6	-72.2	171.8	0	0	0	111.5
11	P	26.8	Very low	28	Very low	109 Å²	109	148 Å²	148	71%	0.708	84%	0.844	S	S	*	*			trans	-89.3	158.9	-173.1	35.7	-36.5	0	0	0	114
12	P	29.4	Very low	27.8	Very low	130 Å²	130	141.1 Å²	141.1	84%	0.844	82%	0.82	S	S	*	*			trans	-79.6	150.7	174.4	33.7	-35.1	0	0	0	112.5
13	V	26.7	Very low	27.7	Very low	124 Å²	124	144.2 Å²	144.2	75%	0.752	82%	0.822	S	S	*	*			trans	-110.8	129.1	176.1	179	0	0	0	0	110.1	F15	V13-F15 HydrophobicContact CG1-CD2 4.07Å; V13-F15 HydrophobicContact CG1-CE2 3.72Å
14	H	23.8	Very low	27.6	Very low	181 Å²	181	144.5 Å²	144.5	84%	0.838	82%	0.824	S	S	*	*			trans	-99.7	129.9	177.6	-98.4	-53.6	0	0	0	112.3
15	F	27.1	Very low	27.4	Very low	194 Å²	194	141 Å²	141	85%	0.851	82%	0.82	S	S	*	*			trans	-142.2	150.1	151	-65.4	-80.2	0	0	0	107.2	V13	V13-F15 HydrophobicContact CG1-CD2 4.07Å; V13-F15 HydrophobicContact CG1-CE2 3.72Å
16	G	25.9	Very low	27.5	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	83%	0.828	S	S	*	*			cis	154.4	67.4	-0.9	0	0	0	0	0	111.2
17	H	27.4	Very low	27.1	Very low	200 Å²	200	137 Å²	137	93%	0.926	82%	0.822	S	S	*	*			trans	-74.5	129.4	-176.9	-83.5	-66.6	0	0	0	113.3
18	T	26.6	Very low	27	Very low	146 Å²	146	139.1 Å²	139.1	90%	0.896	82%	0.824	S	S	*	*			trans	-142.3	154.5	159.9	31.6	0	0	0	0	109.3
19	A	26	Very low	27	Very low	91 Å²	91	142.6 Å²	142.6	75%	0.752	83%	0.832	S	S	*	*			trans	-128.2	142.6	-164.7	0	0	0	0	0	114.1
20	V	30.1	Very low	26.9	Very low	127 Å²	127	138.9 Å²	138.9	77%	0.77	82%	0.824	S	S	*	*			trans	37	122.4	141.2	-167.5	0	0	0	0	117.9
21	P	33.9	Very low	26.7	Very low	135 Å²	135	137 Å²	137	88%	0.877	82%	0.823	S	S	*	*				-113.8	162.8	101	-12.1	30.3	0	0	0	114.8
22	S	28.5	Very low	26.5	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	83%	0.828	S	S	*	*			trans	-107.6	158	173.5	53.4	0	0	0	0	111.5
23	D	25.7	Very low	26.3	Very low	169 Å²	169	140.2 Å²	140.2	90%	0.904	83%	0.826	S	S	*	*			trans	-155	162.4	147.7	-118.6	-24.3	0	0	0	112
24	E	28	Very low	26.1	Very low	190 Å²	190	139 Å²	139	89%	0.888	82%	0.823	S	S	*	*			trans	-96.6	146.9	-164.9	-56.1	-176.2	126.2	0	0	115.5
25	A	25.8	Very low	26.1	Very low	107 Å²	107	136.5 Å²	136.5	88%	0.884	82%	0.821	S	S	*	*			trans	-160.1	143.9	144.5	0	0	0	0	0	110.9
26	A	26.3	Very low	25.9	Very low	111 Å²	111	134.8 Å²	134.8	92%	0.917	82%	0.819	S	S	*	*			trans	-101	144.9	-174.4	0	0	0	0	0	113.8
27	G	24.1	Very low	25.9	Very low	78 Å²	78	138.9 Å²	138.9	80%	0.804	83%	0.825	S	S	*	*			trans	-160.2	98.6	171.4	0	0	0	0	0	111.9
28	K	25.9	Very low	25.8	Very low	196 Å²	196	133 Å²	133	85%	0.852	82%	0.82	S	S	*	*			trans	-89.1	126.4	178.1	-72.3	-174.3	177.2	-174.6	0	111.8
29	T	25.3	Very low	25.7	Very low	143 Å²	143	134.1 Å²	134.1	88%	0.877	82%	0.82	S	S	*	*			trans	-141.9	121	151.7	26.3	0	0	0	0	108.8
30	H	24	Very low	25.7	Very low	153 Å²	153	136 Å²	136	71%	0.708	83%	0.826	S	S	*	*			trans	-83	134.6	169.3	-84.8	-113.9	0	0	0	109.4
31	C	23.1	Very low	25.5	Very low	127 Å²	127	133 Å²	133	86%	0.858	82%	0.821	S	S	*	*			trans	-138.9	104.1	151.1	-91.6	0	0	0	0	107.3
32	E	23.3	Very low	25	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	82%	0.82	S	S	*	*			trans	-80.3	129.5	170.9	-66.5	171	156.2	0	0	108.3
33	V	24.1	Very low	24.8	Very low	132 Å²	132	135.3 Å²	135.3	80%	0.8	83%	0.826	S	S	*	*			trans	-113.8	98.4	172.1	179.9	0	0	0	0	107.4	V35	V33-V35 PolarHBondContact O-N 3.21Å
34	S	22.8	Very low	24.8	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	82%	0.822	S	S	*	*			trans	-75.3	115.7	174.7	53.1	0	0	0	0	110.1	L36	S34-L36 PolarHBondContact O-N 3.43Å
35	V	23.9	Very low	24.8	Very low	129 Å²	129	133.8 Å²	133.8	78%	0.782	82%	0.818	S	S	*	*			trans	-70.6	122.7	169.8	-178.4	0	0	0	0	108.7	V33	V33-V35 PolarHBondContact O-N 3.21Å
36	L	23.7	Very low	24.7	Very low	157 Å²	157	137.9 Å²	137.9	82%	0.822	82%	0.821	S	S	*	*			trans	-108.9	121.5	172.7	-82.6	165.9	0	0	0	109	S34	S34-L36 PolarHBondContact O-N 3.43Å
37	N	25.9	Very low	24.7	Very low	152 Å²	152	140.4 Å²	140.4	81%	0.813	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.6	147.3	173.3	-70.4	-20	0	0	0	110.4
38	G	25	Very low	24.7	Very low	78 Å²	78	142.3 Å²	142.3	80%	0.804	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79	128.8	-176.7	0	0	0	0	0	113.5
39	D	25.5	Very low	24.7	Very low	169 Å²	169	138.7 Å²	138.7	90%	0.904	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.4	137.2	171.1	-105.4	-40.3	0	0	0	112.1	G41	D39-G41 PolarHBondContact O-N 2.6Å
40	C	25	Very low	24.6	Very low	130 Å²	130	135.6 Å²	135.6	88%	0.878	81%	0.812	S	S	*	*			trans	-80.9	76.4	175.5	-76.8	0	0	0	0	112.1	I42	C40-I42 PolarHBondContact O-N 3.41Å
41	G	25	Very low	24.5	Very low	65 Å²	65	133.9 Å²	133.9	67%	0.67	82%	0.817	S	S	*	*			trans	-73	100.7	179.8	0	0	0	0	0	114.8	D39 S43	D39-G41 PolarHBondContact O-N 2.6Å; G41-S43 PolarHBondContact O-N 3.1Å
42	I	25	Very low	25.4	Very low	165 Å²	165	133.1 Å²	133.1	85%	0.846	81%	0.81	S	S	*	*			trans	-62.8	123.3	169	-61.3	174.6	0	0	0	109.7	C40	C40-I42 PolarHBondContact O-N 3.41Å
43	S	24.6	Very low	25.5	Very low	118 Å²	118	132.6 Å²	132.6	83%	0.825	81%	0.812	S	S	*	*			trans	-108.7	97.6	-179.4	-67.1	0	0	0	0	112	G41	G41-S43 PolarHBondContact O-N 3.1Å
44	E	25.5	Very low	25.5	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	81%	0.811	S	S	*	*			trans	-92.8	121.7	163.6	-69.6	-166.8	139.7	0	0	110.6
45	N	27	Very low	26.4	Very low	151 Å²	151	133.7 Å²	133.7	81%	0.807	82%	0.818	S	S	*	*			trans	-176.8	133.7	141.6	-106.9	-67.8	0	0	0	112.4
46	M	23.8	Very low	26.5	Very low	194 Å²	194	130.4 Å²	130.4	96%	0.956	81%	0.81	S	S	*	*			trans	-148.3	134.4	158.3	-159.5	176	-171.5	0	0	108.4
47	M	25.9	Very low	26.6	Very low	163 Å²	163	128.5 Å²	128.5	80%	0.803	81%	0.81	S	S	*	*			trans	-113.3	177.6	-164.7	-96.6	-157	-177.5	0	0	114.5
48	C	24.7	Very low	26.7	Very low	119 Å²	119	129.2 Å²	129.2	80%	0.804	81%	0.808	S	S	*	*			trans	83.6	142.3	168.4	-61.2	0	0	0	0	116.8
49	S	25.2	Very low	26.8	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	81%	0.81	S	S	*	*			cis	-173.7	146.8	-12.8	47.6	0	0	0	0	111.1
50	G	23.1	Very low	26.8	Very low	78 Å²	78	127.3 Å²	127.3	80%	0.804	80%	0.801	S	S	*	*			trans	163.7	127	165.8	0	0	0	0	0	115.5
51	S	21.9	Very low	26.9	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	80%	0.797	S	S	*	*			trans	-133	-173.7	-177.8	-28.8	0	0	0	0	109.6
52	P	42.9	Very low	27	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	80%	0.804	S	S	*	*			cis	-136.1	-178.6	-15.7	29.2	-6.3	0	0	0	114.8
53	L	24.3	Very low	26.9	Very low	164 Å²	164	132 Å²	132	86%	0.859	81%	0.808	S	S	*	*			trans	133.9	146.7	140.6	-69.7	169.9	0	0	0	117.3
54	T	25.2	Very low	27	Very low	126 Å²	126	130.4 Å²	130.4	77%	0.773	80%	0.802	S	S	*	*			trans	-107	-172.6	-163.4	50.5	0	0	0	0	112.3
55	P	42.3	Very low	27.1	Very low	128 Å²	128	129.3 Å²	129.3	83%	0.831	80%	0.802	S	S	*	*			cis	-125.8	-175.8	-7.6	20.3	5.7	0	0	0	113.5
56	G	24.5	Very low	27	Very low	60 Å²	60	128 Å²	128	62%	0.619	80%	0.799	S	S	*	*			cis	161.4	-171.4	-4.9	0	0	0	0	0	113.8
57	S	26.5	Very low	27.1	Very low	117 Å²	117	123.5 Å²	123.5	82%	0.818	79%	0.787	S	S	*	*			trans	73.8	149.9	-178.5	84.2	0	0	0	0	116.1
58	Q	26.8	Very low	27.2	Very low	167 Å²	167	122.5 Å²	122.5	78%	0.78	79%	0.79	S	S	*	*			cis	-156	154.7	6.7	-145.3	170.7	43.5	0	0	112.4
59	T	27.3	Very low	27.1	Very low	138 Å²	138	119.9 Å²	119.9	85%	0.847	78%	0.783	S	S	*	*			trans	61.7	142.9	171.8	60.9	0	0	0	0	118.1
60	G	25.9	Very low	28	Very low	69 Å²	69	119.5 Å²	119.5	71%	0.711	78%	0.778	S	S	*	*			cis	116.6	135.5	1	0	0	0	0	0	112.8
61	V	27.5	Very low	28.1	Very low	130 Å²	130	123.3 Å²	123.3	79%	0.788	78%	0.779	S	S	*	*			cis	-152.7	145.7	5	157.7	0	0	0	0	110.7
62	E	26.5	Very low	28.3	Very low	177 Å²	177	122.3 Å²	122.3	83%	0.827	78%	0.778	S	S	*	*			trans	19.4	143.9	156.4	-60.2	166.2	173.9	0	0	124
63	T	24.3	Very low	27.5	Very low	151 Å²	151	126.6 Å²	126.6	93%	0.926	79%	0.786	S	S	*	*			trans	-160.1	132.3	134.2	-0.7	0	0	0	0	111.4
64	A	26.7	Very low	27.6	Very low	84 Å²	84	124 Å²	124	69%	0.694	78%	0.781	S	S	*	*			trans	-159.5	132.1	168.4	0	0	0	0	0	111.2
65	N	26.8	Very low	27.5	Very low	152 Å²	152	125 Å²	125	81%	0.813	78%	0.782	S	S	*	*			trans	157.4	135.8	133.5	-79.2	-19.5	0	0	0	114.2
66	T	25.5	Very low	26.9	Very low	124 Å²	124	125.6 Å²	125.6	76%	0.761	78%	0.776	S	S	*	*			trans	-16.8	151.4	140.9	43.7	0	0	0	0	117.2
67	S	25	Very low	27.2	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	79%	0.786	S	S	*	*			cis	-178.4	175	15.2	37	0	0	0	0	113.3
68	V	27.3	Very low	27.3	Very low	143 Å²	143	134.4 Å²	134.4	87%	0.867	79%	0.79	S	S	*	*			trans	80.3	142.3	161.4	-157.1	0	0	0	0	117.7
69	G	23.3	Very low	27.2	Very low	64 Å²	64	138.5 Å²	138.5	66%	0.66	80%	0.798	S	S	*	*			trans	-95.7	-146.4	171.1	0	0	0	0	0	113.1
70	P	43.4	Very low	27.2	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	80%	0.795	S	S	*	*			cis	-135	-172.1	12.2	44.3	-27.1	0	0	0	116.2
71	D	25.9	Very low	27.4	Very low	157 Å²	157	139 Å²	139	84%	0.84	80%	0.796	S	S	*	*			trans	62.7	158.2	161.4	-62.2	-42.7	0	0	0	118.7
72	A	26	Very low	27.4	Very low	96 Å²	96	140.1 Å²	140.1	79%	0.793	80%	0.796	S	S	*	*			cis	-140.7	-165.6	8	0	0	0	0	0	113.1
73	K	26.9	Very low	27.8	Very low	201 Å²	201	139.1 Å²	139.1	87%	0.874	80%	0.795	S	S	*	*			trans	-99.2	173.8	-173.2	-65.3	174.6	178	171.7	0	114.6
74	S	25.1	Very low	27.9	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	78%	0.783	S	S	*	*			trans	90.6	149.7	165	97.6	0	0	0	0	116.4
75	D	23.5	Very low	28	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	78%	0.783	S	S	*	*			cis	-152.3	172.3	-9	-135.6	-37.2	0	0	0	112.8
76	I	31.2	Very low	27.9	Very low	141 Å²	141	137.9 Å²	137.9	72%	0.723	78%	0.78	S	S	*	*			trans	-92.3	144.5	-178.1	-45.5	173	0	0	0	111.4	R78	I76-R78 HydrophobicContact CG2-CG 4.5Å
77	P	30.1	Very low	28.1	Very low	126 Å²	126	144.1 Å²	144.1	82%	0.818	79%	0.79	S	S	*	*				-137.5	141.6	127.5	28.2	-11.9	0	0	0	114.7
78	R	28	Very low	28.2	Very low	237 Å²	237	148.7 Å²	148.7	89%	0.894	80%	0.8	S	S	*	*			trans	-86.6	150	172.7	-60.6	172.3	175.5	167.1	-3	111.3	I76	I76-R78 HydrophobicContact CG2-CG 4.5Å
79	R	25.7	Very low	28.2	Very low	253 Å²	253	153.1 Å²	153.1	96%	0.955	80%	0.802	S	S	*	*			trans	-156.3	166.3	141.5	-116.4	174.3	-171.9	-163.4	1.4	113
80	S	27.4	Very low	28.4	Very low	112 Å²	112	159.9 Å²	159.9	78%	0.783	81%	0.813	S	S	*	*			trans	-153.9	146.5	-152.5	55.4	0	0	0	0	114.6
81	S	28.9	Very low	27.6	Very low	105 Å²	105	163.1 Å²	163.1	73%	0.734	82%	0.818	S	S	*	*			trans	-165.2	107.7	158.9	44.3	0	0	0	0	109.2
82	I	28.9	Very low	27.8	Very low	154 Å²	154	167.5 Å²	167.5	79%	0.79	82%	0.823	S	S	*	*				52.7	116.6	93.2	-45.9	-176.3	0	0	0	112.5
83	I	33.5	Very low	27.8	Very low	156 Å²	156	171.9 Å²	171.9	80%	0.8	82%	0.824	S	S	*	*				172.5	148.3	86.2	-105.7	164.9	0	0	0	106.3
84	K	26	Very low	27.9	Very low	158 Å²	158	172.7 Å²	172.7	69%	0.687	83%	0.828	S	S	*	*			cis	-164.1	-168.7	-4.4	-142.3	-172.6	160.4	-117.5	0	110.3
85	D	29.2	Very low	27.9	Very low	128 Å²	128	172.3 Å²	172.3	68%	0.684	82%	0.821	S	S	*	*			trans	20.6	139.8	157.5	-52.4	-17.8	0	0	0	122.4
86	G	24.7	Very low	28.2	Very low	74 Å²	74	172.2 Å²	172.2	76%	0.763	83%	0.825	S	S	*	*			cis	153.2	121.1	-8	0	0	0	0	0	115.1
87	R	29.7	Very low	27.9	Very low	256 Å²	256	168.7 Å²	168.7	97%	0.966	81%	0.813	S	S	*	*			trans	-162.6	140.6	154.9	-108.7	170.9	-165.3	-155.2	1.4	109.9
88	Q	26.9	Very low	27.9	Very low	194 Å²	194	173.1 Å²	173.1	91%	0.907	82%	0.82	S	S	*	*			trans	-82.3	124.3	-167.3	-67	173.6	-19.5	0	0	113.2
89	R	28.6	Very low	27.8	Very low	237 Å²	237	165.8 Å²	165.8	89%	0.894	81%	0.805	S	S	*	*			trans	-89.5	136	144	-88.2	-179.1	164	176	-6.1	107.6	E91	R89-E91 PolarHBondContact O-N 3.08Å
90	K	27.2	Very low	27.9	Very low	206 Å²	206	158.3 Å²	158.3	90%	0.896	79%	0.791	S	S	*	*			trans	-76.4	100.6	167.4	-80.7	-175.3	176.3	178.3	0	108.6	R92	K90-R92 PolarHBondContact O-N 2.84Å
91	E	26.6	Very low	27.8	Very low	180 Å²	180	160.9 Å²	160.9	84%	0.841	79%	0.793	S	S	*	*			trans	-67.5	121.8	168	-65.9	-176.3	138.9	0	0	109.7	R89 K93	R89-E91 PolarHBondContact O-N 3.08Å; E91-K93 PolarHBondContact O-N 2.64Å; E91-K93 VanDerWaalsContact O-N 3.12Å
92	R	29.1	Very low	27.9	Very low	248 Å²	248	161.4 Å²	161.4	94%	0.936	79%	0.794	S	S	*	*			trans	-68.3	105	166.4	-83.8	-178.2	167.7	175.6	-4.2	107.8	K90 K94	K90-R92 PolarHBondContact O-N 2.84Å; R92-K94 PolarHBondContact O-N 2.77Å
93	K	26.5	Very low	28.3	Very low	188 Å²	188	158.9 Å²	158.9	82%	0.817	79%	0.786	S	S	*	*			trans	-57.8	128	170.3	-71.7	-176.2	175.8	-178	0	109.1	E91 T95	E91-K93 PolarHBondContact O-N 2.64Å; E91-K93 VanDerWaalsContact O-N 3.12Å; K93-T95 PolarHBondContact O-N 3.45Å; K93-T95 VanDerWaalsContact O-N 3.13Å
94	K	29.5	Very low	29.2	Very low	219 Å²	219	160.4 Å²	160.4	95%	0.952	79%	0.79	S	S	*	*			trans	-69.6	104.4	166.3	-71.2	-170.9	175.7	-171.4	0	108.7	R92	R92-K94 PolarHBondContact O-N 2.77Å
95	T	25.7	Very low	30.5	Very low	102 Å²	102	162.2 Å²	162.2	63%	0.626	80%	0.797	S	S	*	*			trans	-106.7	131.6	163.8	45.5	0	0	0	0	108.5	K93 S97	K93-T95 PolarHBondContact O-N 3.45Å; K93-T95 VanDerWaalsContact O-N 3.13Å; T95-S97 PolarHBondContact O-N 3.03Å; T95-S97 VanDerWaalsContact O-N 3.13Å; T95-S97 PolarHBondContact OG1-OG 2.94Å
96	V	29.7	Very low	32.2	Very low	142 Å²	142	159.4 Å²	159.4	86%	0.861	78%	0.779	S	S	*	*			trans	-77.5	97.6	173.2	-175	0	0	0	0	107.4
97	S	24.4	Very low	34.4	Very low	68 Å²	68	157 Å²	157	48%	0.476	75%	0.749	S	S	.	*			trans	-116.4	117.6	-177.4	-58.5	0	0	0	0	109.7	T95 S99	T95-S97 PolarHBondContact O-N 3.03Å; T95-S97 VanDerWaalsContact O-N 3.13Å; T95-S97 PolarHBondContact OG1-OG 2.94Å; S97-S99 WeakPolarHBondContact CB-OG 3.28Å; S97-S99 PolarHBondContact O-N 3.32Å
98	F	28.9	Very low	36.1	Very low	219 Å²	219	145.9 Å²	145.9	96%	0.961	71%	0.71	S	S	*	*			trans	-76.3	52.8	167.8	-74.8	-88.3	0	0	0	110.9
99	S	26.4	Very low	38.3	Very low	82 Å²	82	139.9 Å²	139.9	57%	0.573	68%	0.679	S	S	*	*	S	Bend	trans	-122.7	126.6	172.6	56.5	0	0	0	0	107.1	S97	S97-S99 WeakPolarHBondContact CB-OG 3.28Å; S97-S99 PolarHBondContact O-N 3.32Å
100	S	28.9	Very low	40.4	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-47.4	144.1	169	37.7	0	0	0	0	110.7
101	M	24.9	Very low	42.7	Very low	167 Å²	167	120.6 Å²	120.6	82%	0.823	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-52.7	142	165.1	-70.2	-70.3	-168.5	0	0	108.2	T103	M101-T103 PolarHBondContact O-N 2.75Å; M101-T103 VanDerWaalsContact O-N 3.08Å
102	P	29.9	Very low	45.3	Very low	115 Å²	115	113.8 Å²	113.8	75%	0.747	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-52.8	122.1	167.2	-21.4	32.5	0	0	0	108	E104	P102-E104 PolarHBondContact O-N 2.69Å
103	T	38.3	Very low	47.9	Very low	102 Å²	102	102 Å²	102	63%	0.626	53%	0.531	S	S	*	.			trans	-60.8	111.4	-175.9	50.3	0	0	0	0	109.1	M101 K105	M101-T103 PolarHBondContact O-N 2.75Å; M101-T103 VanDerWaalsContact O-N 3.08Å; T103-K105 PolarHBondContact O-N 2.88Å
104	E	51.3	Low	50.6	Low	187 Å²	187	93 Å²	93	87%	0.874	49%	0.492	S	S	*	.			trans	-55.3	126.5	166.2	-64.5	-174.7	158.2	0	0	107.1	P102 K106	P102-E104 PolarHBondContact O-N 2.69Å; E104-K106 PolarHBondContact O-N 3.24Å
105	K	54.4	Low	53.3	Low	196 Å²	196	87 Å²	87	85%	0.852	47%	0.47	S	S	*	.			trans	-62.6	110.3	-172.8	-84.6	-166.8	170.5	-167.8	0	109.3	T103 I107	T103-K105 PolarHBondContact O-N 2.88Å; K105-I107 PolarHBondContact O-N 3.31Å
106	K	65.3	Low	56.2	Low	70 Å²	70	83.4 Å²	83.4	30%	0.304	45%	0.451	S	S	.	.			trans	-59	124.2	179.4	-159.1	-169.7	-164.7	-164.1	0	109.1	E104 S108 D311 T314 P316	E104-K106 PolarHBondContact O-N 3.24Å; K106-S108 PolarHBondContact O-N 3.24Å; K106-D311 VanDerWaalsContact CD-O 3.3Å; K106-D311 WeakPolarHBondContact CD-O 3.48Å; K106-D311 PolarHBondContact NZ-O 2.68Å; K106-T314 WeakPolarHBondContact CE-O 3.43Å; K106-T314 PolarHBondContact NZ-O 3.2Å; K106-P316 HydrophobicContact CG-CG 4.12Å
107	I	71.2	Confident	59.1	Low	23 Å²	23	76.6 Å²	76.6	12%	0.118	41%	0.41	C	S	.	.			trans	-63	119.3	179.7	-58.7	-61.1	0	0	0	109.1	K105 D112 C113 I215 Y319 F320	K105-I107 PolarHBondContact O-N 3.31Å; I107-D112 HydrophobicContact CD1-CB 3.79Å; I107-D112 HydrophobicContact CG2-CB 4.4Å; I107-C113 VanDerWaalsContact CG2-SG 3.54Å; I107-I215 HydrophobicContact CD1-CD1 4Å; I107-I215 HydrophobicContact CD1-CG1 4.18Å; I107-I215 HydrophobicContact CG1-CD1 3.85Å; I107-I215 HydrophobicContact CG1-CG1 3.97Å; I107-Y319 HydrophobicContact CG2-CD1 4.3Å; I107-Y319 HydrophobicContact CG2-CE1 3.93Å; I107-F320 HydrophobicContact CB-CZ 4.35Å; I107-F320 HydrophobicContact CG2-CE1 4.22Å; I107-F320 HydrophobicContact CG2-CZ 3.88Å
108	S	65.4	Low	62.1	Low	23 Å²	23	75.8 Å²	75.8	16%	0.161	40%	0.401	C	S	.	.			trans	-124.7	-24.6	-174.9	75.8	0	0	0	0	113.4	K106 D112	K106-S108 PolarHBondContact O-N 3.24Å; S108-D112 WeakPolarHBondContact CA-OD2 3.34Å; S108-D112 WeakPolarHBondContact CB-OD2 3.39Å; S108-D112 PolarHBondContact N-OD2 3.3Å; S108-D112 PolarHBondContact OG-OD2 2.93Å
109	R	71.2	Confident	64.9	Low	67 Å²	67	71.4 Å²	71.4	25%	0.253	39%	0.388	S	S	.	.	S	Bend	trans	-144.7	162.2	-174.7	-72.3	176.7	171.5	73.7	1.9	110.8	S111 D112 H310	R109-S111 VanDerWaalsContact CB-OG 3.24Å; R109-S111 WeakPolarHBondContact CB-OG 3.4Å; R109-S111 PolarHBondContact O-N 3.06Å; R109-D112 PolarHBondContact N-OD2 3Å; R109-D112 WeakPolarHBondContact O-CB 3.45Å; R109-D112 PolarHBondContact O-N 3.09Å; R109-H310 PolarHBondContact NH2-CE1 2.73Å; R109-H310 PolarHBondContact NH2-NE2 3.27Å
110	V	72.8	Confident	67.9	Low	15 Å²	15	68.1 Å²	68.1	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-30.7	179.1	-171.8	0	0	0	0	111.5	D112 C113 I114 Y222 Y319 K329	V110-D112 PolarHBondContact O-N 3.12Å; V110-C113 WeakPolarHBondContact O-CB 3.28Å; V110-C113 PolarHBondContact O-N 3.44Å; V110-C113 VanDerWaalsContact O-N 3.14Å; V110-I114 HydrophobicContact CG1-CG1 4.4Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 3.23Å; V110-Y222 HydrophobicContact CB-CD2 4.44Å; V110-Y222 HydrophobicContact CB-CE2 4.48Å; V110-Y222 HydrophobicContact CG1-CD1 3.66Å; V110-Y222 HydrophobicContact CG1-CD2 3.77Å; V110-Y222 HydrophobicContact CG1-CE1 4.1Å; V110-Y222 HydrophobicContact CG1-CE2 4.2Å; V110-Y222 HydrophobicContact CG1-CG 3.48Å; V110-Y222 VanDerWaalsContact CG1-CG 3.48Å; V110-Y222 HydrophobicContact CG2-CD2 4.32Å; V110-Y222 HydrophobicContact CG2-CE2 4.39Å; V110-Y319 WeakPolarHBondContact CA-OH 3.48Å; V110-Y319 WeakPolarHBondContact CG2-OH 3.33Å; V110-Y319 PolarHBondContact N-OH 3.42Å; V110-K329 HydrophobicContact CG2-CB 4.25Å
111	S	76.7	Confident	70.9	Confident	23 Å²	23	64.5 Å²	64.5	16%	0.161	34%	0.342	C	S	.	.	H	α-helix	trans	-49.5	-40	169.3	51.1	0	0	0	0	112.6	R109 I114 N115	R109-S111 VanDerWaalsContact CB-OG 3.24Å; R109-S111 WeakPolarHBondContact CB-OG 3.4Å; R109-S111 PolarHBondContact O-N 3.06Å; S111-I114 PolarHBondContact O-N 3.41Å; S111-N115 WeakPolarHBondContact O-CB 3.33Å; S111-N115 PolarHBondContact O-N 2.97Å; S111-N115 PolarHBondContact O-ND2 3.48Å; S111-N115 VanDerWaalsContact O-ND2 3.12Å
112	D	81.3	Confident	74.1	Confident	37 Å²	37	60.8 Å²	60.8	20%	0.198	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-37.1	-174.7	-46.3	-20.6	0	0	0	109.8	I107 S108 R109 V110 A116	I107-D112 HydrophobicContact CD1-CB 3.79Å; I107-D112 HydrophobicContact CG2-CB 4.4Å; S108-D112 WeakPolarHBondContact CA-OD2 3.34Å; S108-D112 WeakPolarHBondContact CB-OD2 3.39Å; S108-D112 PolarHBondContact N-OD2 3.3Å; S108-D112 PolarHBondContact OG-OD2 2.93Å; R109-D112 PolarHBondContact N-OD2 3Å; R109-D112 WeakPolarHBondContact O-CB 3.45Å; R109-D112 PolarHBondContact O-N 3.09Å; V110-D112 PolarHBondContact O-N 3.12Å; D112-A116 WeakPolarHBondContact O-CB 3.41Å; D112-A116 PolarHBondContact O-N 2.92Å
113	C	82.9	Confident	77.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-44.6	171.8	-53.9	0	0	0	0	112.1	I107 V110 A116 M117 I215	I107-C113 VanDerWaalsContact CG2-SG 3.54Å; V110-C113 WeakPolarHBondContact O-CB 3.28Å; V110-C113 PolarHBondContact O-N 3.44Å; V110-C113 VanDerWaalsContact O-N 3.14Å; C113-A116 PolarHBondContact O-N 3.23Å; C113-M117 WeakPolarHBondContact O-CG 3.1Å; C113-M117 PolarHBondContact O-N 3.04Å; C113-I215 HydrophobicContact CB-CG2 4.3Å
114	I	83.9	Confident	79.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-43.4	178.9	-62.9	-64.2	0	0	0	110.7	V110 S111 A116 M117 V118 L139 M143 L223	V110-I114 HydrophobicContact CG1-CG1 4.4Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 3.23Å; S111-I114 PolarHBondContact O-N 3.41Å; I114-A116 PolarHBondContact O-N 3.26Å; I114-M117 WeakPolarHBondContact O-CB 3.38Å; I114-M117 PolarHBondContact O-N 3.3Å; I114-M117 VanDerWaalsContact O-N 3.17Å; I114-V118 WeakPolarHBondContact O-CG2 3.09Å; I114-V118 PolarHBondContact O-N 3.16Å; I114-L139 HydrophobicContact CG2-CD2 4.23Å; I114-M143 HydrophobicContact CG2-CE 3.77Å; I114-M143 HydrophobicContact CG2-SD 3.97Å; I114-L223 HydrophobicContact CD1-CD1 3.87Å; I114-L223 HydrophobicContact CD1-CD2 4.23Å; I114-L223 HydrophobicContact CD1-CG 3.78Å
115	N	85.8	Confident	81.5	Confident	91 Å²	91	44.7 Å²	44.7	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-47.2	175.3	-70.1	-27.2	0	0	0	111.3	S111 M117 V118 D119	S111-N115 WeakPolarHBondContact O-CB 3.33Å; S111-N115 PolarHBondContact O-N 2.97Å; S111-N115 PolarHBondContact O-ND2 3.48Å; S111-N115 VanDerWaalsContact O-ND2 3.12Å; N115-M117 VanDerWaalsContact C-N 3.27Å; N115-M117 PolarHBondContact O-N 3.47Å; N115-V118 PolarHBondContact O-N 3.06Å; N115-D119 PolarHBondContact O-N 3.41Å
116	A	86.5	Confident	83.2	Confident	27 Å²	27	35.4 Å²	35.4	22%	0.223	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-31.3	175.9	0	0	0	0	0	113.4	D112 C113 I114 G120 I215	D112-A116 WeakPolarHBondContact O-CB 3.41Å; D112-A116 PolarHBondContact O-N 2.92Å; C113-A116 PolarHBondContact O-N 3.23Å; I114-A116 PolarHBondContact O-N 3.26Å; A116-G120 PolarHBondContact O-N 3.49Å; A116-I215 HydrophobicContact CB-CG2 3.91Å
117	M	89.6	Confident	84.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.2	-31	172.5	-73.8	173.6	53.5	0	0	113.3	C113 I114 N115 L138 L139 I215 W216 G219 L220 L223	C113-M117 WeakPolarHBondContact O-CG 3.1Å; C113-M117 PolarHBondContact O-N 3.04Å; I114-M117 WeakPolarHBondContact O-CB 3.38Å; I114-M117 PolarHBondContact O-N 3.3Å; I114-M117 VanDerWaalsContact O-N 3.17Å; N115-M117 VanDerWaalsContact C-N 3.27Å; N115-M117 PolarHBondContact O-N 3.47Å; M117-L138 CarbonylContact O-C 3.48Å; M117-L138 WeakPolarHBondContact O-CA 3.49Å; M117-L139 HydrophobicContact CB-CB 4.11Å; M117-L139 HydrophobicContact CE-CB 4.5Å; M117-L139 HydrophobicContact CE-CD1 4.46Å; M117-L139 HydrophobicContact CE-CD2 4.33Å; M117-L139 PolarHBondContact O-N 3.41Å; M117-I215 HydrophobicContact CG-CG2 4.44Å; M117-W216 HydrophobicContact CB-CH2 4.2Å; M117-W216 HydrophobicContact CB-CZ2 4.32Å; M117-W216 HydrophobicContact CB-CZ3 4.35Å; M117-W216 HydrophobicContact CE-CE3 3.82Å; M117-W216 HydrophobicContact CE-CZ3 3.8Å; M117-W216 HydrophobicContact CG-CD2 3.8Å; M117-W216 HydrophobicContact CG-CE3 3.86Å; M117-W216 HydrophobicContact CG-CG 4.26Å; M117-W216 HydrophobicContact CG-CH2 4.25Å; M117-W216 HydrophobicContact CG-CZ2 4.2Å; M117-W216 HydrophobicContact CG-CZ3 4.07Å; M117-W216 HydrophobicContact SD-CD2 4.49Å; M117-W216 HydrophobicContact SD-CE3 4.18Å; M117-G219 VanDerWaalsContact SD-CA 3.59Å; M117-L220 HydrophobicContact CE-CD2 3.71Å; M117-L220 HydrophobicContact CE-CG 3.71Å; M117-L223 HydrophobicContact CE-CD1 3.98Å
118	V	88.4	Confident	84.6	Confident	50 Å²	50	40.7 Å²	40.7	30%	0.303	22%	0.219	S	C	.	.	H	α-helix	trans	-76.2	-42.2	175.4	172.5	0	0	0	0	111.2	I114 N115 G120 L139	I114-V118 WeakPolarHBondContact O-CG2 3.09Å; I114-V118 PolarHBondContact O-N 3.16Å; N115-V118 PolarHBondContact O-N 3.06Å; V118-G120 VanDerWaalsContact C-N 3.26Å; V118-G120 PolarHBondContact O-N 2.95Å; V118-L139 HydrophobicContact CG2-CB 4.09Å; V118-L139 HydrophobicContact CG2-CD2 3.99Å; V118-L139 HydrophobicContact CG2-CG 4.34Å
119	D	88.2	Confident	85.2	Confident	128 Å²	128	44 Å²	44	68%	0.684	24%	0.235	S	C	*	.	H	α-helix	trans	-59.2	-40.6	170.4	-74.7	-26.8	0	0	0	110.7	N115 Y136	N115-D119 PolarHBondContact O-N 3.41Å; D119-Y136 PolarHBondContact O-OH 3.22Å
120	G	89.1	Confident	85.6	Confident	12 Å²	12	43.2 Å²	43.2	12%	0.124	24%	0.24	C	C	.	.			trans	100.6	167.2	169.4	0	0	0	0	0	114.6	A116 V118 Y136 F137	A116-G120 PolarHBondContact O-N 3.49Å; V118-G120 VanDerWaalsContact C-N 3.26Å; V118-G120 PolarHBondContact O-N 2.95Å; G120-Y136 VanDerWaalsContact C-CZ 3.41Å; G120-Y136 VanDerWaalsContact C-OH 3.25Å; G120-Y136 PolarHBondContact O-OH 3.3Å; G120-Y136 VanDerWaalsContact O-OH 3.07Å; G120-F137 CarbonylContact C-O 3.53Å; G120-F137 WeakPolarHBondContact CA-O 3.35Å
121	S	91.8	Very high	86	Confident	20 Å²	20	49.5 Å²	49.5	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.4	-175.4	-53.4	0	0	0	0	113	L123 Y136 F137 W216	S121-L123 PolarHBondContact O-N 3.31Å; S121-Y136 VanDerWaalsContact C-CD2 3.49Å; S121-F137 PolarHBondContact N-O 3.16Å; S121-F137 PolarHBondContact O-N 3.07Å; S121-W216 VanDerWaalsContact CB-NE1 3.29Å; S121-W216 PolarHBondContact OG-NE1 3.02Å
122	E	92	Very high	86.5	Confident	89 Å²	89	51.6 Å²	51.6	42%	0.416	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.9	169.1	-168.6	-171.3	165.7	0	0	110.2	H134 R135 Y136	E122-H134 IonicContact OE1-CE1 3.68Å; E122-H134 IonicContact OE1-CG 2.78Å; E122-H134 IonicContact OE1-ND1 2.63Å; E122-H134 PolarHBondContact OE1-ND1 3.18Å; E122-R135 WeakPolarHBondContact CA-O 3.48Å; E122-Y136 HydrophobicContact CB-CD2 4.37Å
123	L	93.3	Very high	86.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.2	176.5	-50.5	174.5	0	0	0	110.7	S121 R135 F137 F192 L205 A207 V212 W216	S121-L123 PolarHBondContact O-N 3.31Å; L123-R135 PolarHBondContact N-O 3.34Å; L123-R135 PolarHBondContact O-N 3.05Å; L123-R135 VanDerWaalsContact O-O 3.11Å; L123-F137 HydrophobicContact CB-CD2 3.64Å; L123-F137 HydrophobicContact CB-CE2 3.84Å; L123-F137 HydrophobicContact CD1-CB 4.04Å; L123-F137 HydrophobicContact CD1-CD2 3.92Å; L123-F137 HydrophobicContact CD1-CG 3.96Å; L123-F137 HydrophobicContact CG-CB 4.49Å; L123-F137 HydrophobicContact CG-CD2 3.99Å; L123-F137 HydrophobicContact CG-CG 4.45Å; L123-F192 HydrophobicContact CD1-CE1 4.35Å; L123-F192 HydrophobicContact CD1-CZ 3.92Å; L123-L205 HydrophobicContact CD1-CD1 4.11Å; L123-A207 HydrophobicContact CD2-CB 3.95Å; L123-V212 HydrophobicContact CD2-CG1 3.81Å; L123-W216 HydrophobicContact CD1-CD2 4.22Å; L123-W216 HydrophobicContact CD1-CG 4.42Å
124	K	91.4	Very high	87.1	Confident	53 Å²	53	58.1 Å²	58.1	23%	0.23	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.4	178.6	-63.1	160.5	-167.3	142.6	0	109.1	I132 V206 A207 N208	K124-I132 HydrophobicContact CB-CG2 3.76Å; K124-I132 HydrophobicContact CG-CG2 4.34Å; K124-V206 HydrophobicContact CB-CB 4.2Å; K124-V206 WeakPolarHBondContact CB-O 3.3Å; K124-V206 PolarHBondContact N-O 2.8Å; K124-V206 PolarHBondContact O-N 3.13Å; K124-A207 PolarHBondContact NZ-O 2.98Å; K124-N208 WeakPolarHBondContact CE-OD1 3.48Å; K124-N208 PolarHBondContact NZ-OD1 3.49Å
125	K	91.3	Very high	87.4	Confident	14 Å²	14	60.2 Å²	60.2	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.6	177.2	-172.2	174.8	-171.1	122.9	0	110.5	Y133 F137 L203 L205	K125-Y133 PolarHBondContact N-O 3.03Å; K125-Y133 PolarHBondContact O-N 3.31Å; K125-F137 HydrophobicContact CB-CZ 4.24Å; K125-F137 HydrophobicContact CD-CZ 4.24Å; K125-L203 HydrophobicContact CD-CD1 3.94Å; K125-L203 HydrophobicContact CG-CD1 3.84Å; K125-L205 HydrophobicContact CB-CD2 4.11Å; K125-L205 HydrophobicContact CG-CD2 4.19Å
126	V	88.8	Confident	87.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	150.8	-178.1	-174.5	0	0	0	0	110.2	T176 F177 N180 I186 D204 V206	V126-T176 HydrophobicContact CG1-CG2 3.99Å; V126-F177 HydrophobicContact CB-CE1 4.32Å; V126-F177 HydrophobicContact CG1-CE1 4.43Å; V126-F177 HydrophobicContact CG2-CE1 3.87Å; V126-F177 HydrophobicContact CG2-CZ 4.32Å; V126-N180 VanDerWaalsContact CG1-ND2 3.3Å; V126-N180 WeakPolarHBondContact CG1-ND2 3.28Å; V126-I186 HydrophobicContact CG2-CD1 4.5Å; V126-D204 HydrophobicContact CB-CB 4.24Å; V126-D204 PolarHBondContact N-O 3.35Å; V126-V206 HydrophobicContact CG2-CG2 3.9Å
127	R	86.1	Confident	87.9	Confident	114 Å²	114	59.1 Å²	59.1	43%	0.43	29%	0.289	S	S	.	.			trans	-133.2	151.6	176.2	-68.5	-58.7	-158.9	-178.4	10.2	111.3	N129 S130 R131 Y133	R127-N129 WeakPolarHBondContact CB-OD1 2.99Å; R127-N129 PolarHBondContact O-N 3.22Å; R127-N129 VanDerWaalsContact O-N 3.1Å; R127-S130 WeakPolarHBondContact O-CA 3.42Å; R127-S130 PolarHBondContact O-N 3.1Å; R127-R131 PolarHBondContact N-O 2.76Å; R127-Y133 HydrophobicContact CG-CD2 4.33Å; R127-Y133 HydrophobicContact CG-CE2 4.21Å
128	S	79.9	Confident	88	Confident	89 Å²	89	62 Å²	62	62%	0.622	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.8	-179.3	51.8	0	0	0	0	114.5	S130	S128-S130 PolarHBondContact O-N 3.44Å
129	N	79	Confident	88.1	Confident	94 Å²	94	59.7 Å²	59.7	50%	0.503	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	25.6	170.6	66.4	-1.2	0	0	0	113.9	R127 R131	R127-N129 WeakPolarHBondContact CB-OD1 2.99Å; R127-N129 PolarHBondContact O-N 3.22Å; R127-N129 VanDerWaalsContact O-N 3.1Å; N129-R131 PolarHBondContact O-N 2.83Å; N129-R131 VanDerWaalsContact O-N 3.09Å; N129-R131 WeakPolarHBondContact OD1-CB 3.46Å; N129-R131 WeakPolarHBondContact OD1-CG 3.37Å
130	S	78.2	Confident	88	Confident	50 Å²	50	54.8 Å²	54.8	35%	0.35	26%	0.263	S	S	.	.	S	Bend	trans	57.3	16	-178.5	-55.2	0	0	0	0	115.6	R127 S128 N180 G181	R127-S130 WeakPolarHBondContact O-CA 3.42Å; R127-S130 PolarHBondContact O-N 3.1Å; S128-S130 PolarHBondContact O-N 3.44Å; S130-N180 WeakPolarHBondContact CA-OD1 3.37Å; S130-N180 WeakPolarHBondContact CB-OD1 3.24Å; S130-N180 PolarHBondContact OG-OD1 2.92Å; S130-G181 PolarHBondContact OG-N 3.34Å
131	R	82.8	Confident	87.7	Confident	146 Å²	146	58.3 Å²	58.3	55%	0.551	29%	0.291	S	S	*	.			trans	-88.9	133	177.9	-64.4	-175.7	-178.1	177.9	-1.2	111.4	R127 N129 Y133	R127-R131 PolarHBondContact N-O 2.76Å; N129-R131 PolarHBondContact O-N 2.83Å; N129-R131 VanDerWaalsContact O-N 3.09Å; N129-R131 WeakPolarHBondContact OD1-CB 3.46Å; N129-R131 WeakPolarHBondContact OD1-CG 3.37Å; R131-Y133 HydrophobicContact CB-CD2 4.47Å; R131-Y133 HydrophobicContact CB-CE2 3.7Å; R131-Y133 WeakPolarHBondContact CD-OH 3.23Å
132	I	86.6	Confident	87.1	Confident	68 Å²	68	61.6 Å²	61.6	35%	0.349	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	177.8	-55.3	179.3	0	0	0	109.1	K124 I186	K124-I132 HydrophobicContact CB-CG2 3.76Å; K124-I132 HydrophobicContact CG-CG2 4.34Å; I132-I186 HydrophobicContact CD1-CD1 4.46Å
133	Y	87.4	Confident	86.7	Confident	77 Å²	77	58.7 Å²	58.7	30%	0.302	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.6	-178.9	-66	-81.3	0	0	0	111.1	K125 R127 R131 R135	K125-Y133 PolarHBondContact N-O 3.03Å; K125-Y133 PolarHBondContact O-N 3.31Å; R127-Y133 HydrophobicContact CG-CD2 4.33Å; R127-Y133 HydrophobicContact CG-CE2 4.21Å; R131-Y133 HydrophobicContact CB-CD2 4.47Å; R131-Y133 HydrophobicContact CB-CE2 3.7Å; R131-Y133 WeakPolarHBondContact CD-OH 3.23Å; Y133-R135 PolarHBondContact O-N 3.34Å
134	H	88.7	Confident	86.2	Confident	96 Å²	96	61 Å²	61	44%	0.444	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128.5	168.4	-74.4	-118	0	0	0	110.3	E122	E122-H134 IonicContact OE1-CE1 3.68Å; E122-H134 IonicContact OE1-CG 2.78Å; E122-H134 IonicContact OE1-ND1 2.63Å; E122-H134 PolarHBondContact OE1-ND1 3.18Å
135	R	90	Very high	86	Confident	45 Å²	45	58.6 Å²	58.6	17%	0.17	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.9	179.5	-69.8	-63	-177.5	-90.4	2.6	110.4	E122 L123 Y133 F137 E149 T151	E122-R135 WeakPolarHBondContact CA-O 3.48Å; L123-R135 PolarHBondContact N-O 3.34Å; L123-R135 PolarHBondContact O-N 3.05Å; L123-R135 VanDerWaalsContact O-O 3.11Å; Y133-R135 PolarHBondContact O-N 3.34Å; R135-F137 HydrophobicContact CB-CD2 4.11Å; R135-F137 HydrophobicContact CB-CE2 3.69Å; R135-F137 HydrophobicContact CB-CZ 4.47Å; R135-F137 WeakPolarHBondContact O-CD2 3.3Å; R135-E149 VanDerWaalsContact CD-O 3.23Å; R135-E149 WeakPolarHBondContact CD-O 3.46Å; R135-E149 PolarHBondContact NE-O 3.25Å; R135-T151 PolarHBondContact NH2-OG1 3.28Å
136	Y	90.3	Very high	86	Confident	96 Å²	96	57.9 Å²	57.9	38%	0.376	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.2	162.1	-149.3	-114.8	0	0	0	110.1	D119 G120 S121 E122 W148 E149	D119-Y136 PolarHBondContact O-OH 3.22Å; G120-Y136 VanDerWaalsContact C-CZ 3.41Å; G120-Y136 VanDerWaalsContact C-OH 3.25Å; G120-Y136 PolarHBondContact O-OH 3.3Å; G120-Y136 VanDerWaalsContact O-OH 3.07Å; S121-Y136 VanDerWaalsContact C-CD2 3.49Å; E122-Y136 HydrophobicContact CB-CD2 4.37Å; Y136-W148 WeakPolarHBondContact O-CA 3.41Å; Y136-W148 VanDerWaalsContact O-CB 3.32Å; Y136-W148 WeakPolarHBondContact O-CB 3.1Å; Y136-E149 PolarHBondContact N-OE2 3.13Å; Y136-E149 VanDerWaalsContact N-OE2 3.11Å; Y136-E149 PolarHBondContact O-N 2.92Å
137	F	93.1	Very high	86	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.9	174.6	-75.9	-102.2	0	0	0	109.5	G120 S121 L123 K125 R135 L146 R147 W148 L203 L205 W216	G120-F137 CarbonylContact C-O 3.53Å; G120-F137 WeakPolarHBondContact CA-O 3.35Å; S121-F137 PolarHBondContact N-O 3.16Å; S121-F137 PolarHBondContact O-N 3.07Å; L123-F137 HydrophobicContact CB-CD2 3.64Å; L123-F137 HydrophobicContact CB-CE2 3.84Å; L123-F137 HydrophobicContact CD1-CB 4.04Å; L123-F137 HydrophobicContact CD1-CD2 3.92Å; L123-F137 HydrophobicContact CD1-CG 3.96Å; L123-F137 HydrophobicContact CG-CB 4.49Å; L123-F137 HydrophobicContact CG-CD2 3.99Å; L123-F137 HydrophobicContact CG-CG 4.45Å; K125-F137 HydrophobicContact CB-CZ 4.24Å; K125-F137 HydrophobicContact CD-CZ 4.24Å; R135-F137 HydrophobicContact CB-CD2 4.11Å; R135-F137 HydrophobicContact CB-CE2 3.69Å; R135-F137 HydrophobicContact CB-CZ 4.47Å; R135-F137 WeakPolarHBondContact O-CD2 3.3Å; F137-L146 HydrophobicContact CB-CD1 4.49Å; F137-L146 HydrophobicContact CD1-CD1 4.14Å; F137-R147 WeakPolarHBondContact CA-O 3.47Å; F137-W148 HydrophobicContact CD1-CB 3.59Å; F137-W148 HydrophobicContact CD1-CD2 4.3Å; F137-W148 AromaticContact CD1-CE3 3.95Å; F137-W148 HydrophobicContact CD1-CE3 3.95Å; F137-W148 HydrophobicContact CD1-CG 4.2Å; F137-W148 HydrophobicContact CD2-CB 4.16Å; F137-W148 HydrophobicContact CE1-CB 3.63Å; F137-W148 AromaticContact CE1-CD2 3.7Å; F137-W148 HydrophobicContact CE1-CD2 3.7Å; F137-W148 AromaticContact CE1-CE3 3.51Å; F137-W148 HydrophobicContact CE1-CE3 3.51Å; F137-W148 AromaticContact CE1-CG 3.75Å; F137-W148 HydrophobicContact CE1-CG 3.75Å; F137-W148 HydrophobicContact CE1-CZ3 4.45Å; F137-W148 HydrophobicContact CE2-CB 4.22Å; F137-W148 HydrophobicContact CG-CB 3.86Å; F137-W148 HydrophobicContact CZ-CB 3.94Å; F137-W148 HydrophobicContact CZ-CD2 4.28Å; F137-W148 HydrophobicContact CZ-CE3 4.48Å; F137-W148 HydrophobicContact CZ-CG 4.03Å; F137-L203 HydrophobicContact CE1-CD2 4.24Å; F137-L205 HydrophobicContact CE1-CD1 4.25Å; F137-L205 HydrophobicContact CE1-CD2 3.86Å; F137-L205 HydrophobicContact CE2-CD2 3.88Å; F137-L205 HydrophobicContact CZ-CD1 4.46Å; F137-L205 HydrophobicContact CZ-CD2 3.33Å; F137-W216 HydrophobicContact CB-CH2 3.92Å; F137-W216 HydrophobicContact CB-CZ2 4.03Å
138	L	92.2	Very high	86.2	Confident	60 Å²	60	58.4 Å²	58.4	31%	0.314	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.3	179.1	63.9	97.4	0	0	0	111.2	M117 L146 R147	M117-L138 CarbonylContact O-C 3.48Å; M117-L138 WeakPolarHBondContact O-CA 3.49Å; L138-L146 WeakPolarHBondContact O-CD1 3.41Å; L138-R147 HydrophobicContact CD1-CB 4.28Å; L138-R147 HydrophobicContact CG-CB 4.41Å; L138-R147 PolarHBondContact N-O 2.72Å; L138-R147 PolarHBondContact O-N 3.09Å
139	L	90.2	Very high	86.2	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133	166.7	-174	71.5	0	0	0	108.7	I114 M117 V118 M143 V162 L223	I114-L139 HydrophobicContact CG2-CD2 4.23Å; M117-L139 HydrophobicContact CB-CB 4.11Å; M117-L139 HydrophobicContact CE-CB 4.5Å; M117-L139 HydrophobicContact CE-CD1 4.46Å; M117-L139 HydrophobicContact CE-CD2 4.33Å; M117-L139 PolarHBondContact O-N 3.41Å; V118-L139 HydrophobicContact CG2-CB 4.09Å; V118-L139 HydrophobicContact CG2-CD2 3.99Å; V118-L139 HydrophobicContact CG2-CG 4.34Å; L139-M143 HydrophobicContact CD2-CB 4.24Å; L139-M143 HydrophobicContact CD2-CG 4.12Å; L139-V162 HydrophobicContact CD1-CG2 4.26Å; L139-L223 HydrophobicContact CD1-CD1 3.87Å; L139-L223 HydrophobicContact CD2-CD1 3.74Å; L139-L223 HydrophobicContact CG-CD1 4.5Å
140	D	86.8	Confident	85.7	Confident	25 Å²	25	58 Å²	58	13%	0.134	28%	0.284	C	S	.	.			trans	-59	144	170.1	-78.4	-17.7	0	0	0	109.8	D142 M143 S145 R147	D140-D142 VanDerWaalsContact CB-OD1 3.24Å; D140-D142 WeakPolarHBondContact CB-OD1 3.17Å; D140-D142 PolarHBondContact O-N 2.88Å; D140-M143 WeakPolarHBondContact O-CA 3.48Å; D140-M143 PolarHBondContact O-N 2.98Å; D140-S145 PolarHBondContact N-O 3.01Å; D140-S145 WeakPolarHBondContact OD2-CB 3.41Å; D140-R147 VanDerWaalsContact OD1-CD 3.31Å; D140-R147 WeakPolarHBondContact OD1-CD 3.27Å; D140-R147 IonicContact OD1-CZ 3.45Å; D140-R147 IonicContact OD1-NE 3.85Å; D140-R147 PolarHBondContact OD1-NE 2.8Å; D140-R147 IonicContact OD1-NH2 3.93Å; D140-R147 IonicContact OD2-CZ 2.67Å; D140-R147 IonicContact OD2-NE 3.69Å; D140-R147 PolarHBondContact OD2-NE 3.04Å; D140-R147 IonicContact OD2-NH2 3.51Å; D140-R147 PolarHBondContact OD2-NH2 2.7Å
141	A	81.4	Confident	84.8	Confident	85 Å²	85	60.4 Å²	60.4	70%	0.702	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.2	-178.1	0	0	0	0	0	114.6	M143	A141-M143 VanDerWaalsContact C-N 3.28Å
142	D	80.7	Confident	83.7	Confident	90 Å²	90	61 Å²	61	48%	0.481	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.7	170	70.4	0.3	0	0	0	113.3	D140 Q144	D140-D142 VanDerWaalsContact CB-OD1 3.24Å; D140-D142 WeakPolarHBondContact CB-OD1 3.17Å; D140-D142 PolarHBondContact O-N 2.88Å; D142-Q144 HydrophobicContact CB-CG 4.13Å; D142-Q144 VanDerWaalsContact CG-CG 3.5Å; D142-Q144 WeakPolarHBondContact O-CG 3.47Å; D142-Q144 PolarHBondContact O-N 2.96Å; D142-Q144 PolarHBondContact O-NE2 2.98Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.39Å; D142-Q144 PolarHBondContact OD1-N 3.02Å; D142-Q144 WeakPolarHBondContact OD2-CG 3.17Å
143	M	83.6	Confident	82.2	Confident	27 Å²	27	68 Å²	68	13%	0.133	33%	0.331	C	S	.	.	S	Bend	trans	56.7	13	-175.7	-51.8	179.3	-169.4	0	0	114.3	I114 L139 D140 A141 L223 T230 L231	I114-M143 HydrophobicContact CG2-CE 3.77Å; I114-M143 HydrophobicContact CG2-SD 3.97Å; L139-M143 HydrophobicContact CD2-CB 4.24Å; L139-M143 HydrophobicContact CD2-CG 4.12Å; D140-M143 WeakPolarHBondContact O-CA 3.48Å; D140-M143 PolarHBondContact O-N 2.98Å; A141-M143 VanDerWaalsContact C-N 3.28Å; M143-L223 HydrophobicContact CB-CD2 3.85Å; M143-L223 HydrophobicContact SD-CD2 4.45Å; M143-T230 HydrophobicContact SD-CG2 3.64Å; M143-L231 HydrophobicContact CE-CD1 3.74Å; M143-L231 HydrophobicContact CE-CG 4.49Å; M143-L231 HydrophobicContact SD-CD1 3.86Å
144	Q	82.8	Confident	80.7	Confident	49 Å²	49	69 Å²	69	23%	0.229	34%	0.339	C	S	.	.	S	Bend	trans	-85.1	-16.8	-176.3	-61.2	-52.6	-69.9	0	0	113.3	D142 V162 K163	D142-Q144 HydrophobicContact CB-CG 4.13Å; D142-Q144 VanDerWaalsContact CG-CG 3.5Å; D142-Q144 WeakPolarHBondContact O-CG 3.47Å; D142-Q144 PolarHBondContact O-N 2.96Å; D142-Q144 PolarHBondContact O-NE2 2.98Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.39Å; D142-Q144 PolarHBondContact OD1-N 3.02Å; D142-Q144 WeakPolarHBondContact OD2-CG 3.17Å; Q144-V162 PolarHBondContact O-N 2.99Å; Q144-K163 VanDerWaalsContact OE1-CE 3.3Å
145	S	87.1	Confident	79.4	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	138.9	-167	-69.9	0	0	0	0	114.8	D140 K159 I160	D140-S145 PolarHBondContact N-O 3.01Å; D140-S145 WeakPolarHBondContact OD2-CB 3.41Å; S145-K159 WeakPolarHBondContact OG-CE 3.15Å; S145-K159 PolarHBondContact OG-NZ 3.31Å; S145-I160 CarbonylContact C-O 3.53Å; S145-I160 VanDerWaalsContact CA-O 3.31Å; S145-I160 WeakPolarHBondContact CA-O 3.22Å
146	L	89.9	Confident	78.1	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.7	169.8	174.2	55.9	0	0	0	109.7	F137 L138 K159 I160 I194 W216	F137-L146 HydrophobicContact CB-CD1 4.49Å; F137-L146 HydrophobicContact CD1-CD1 4.14Å; L138-L146 WeakPolarHBondContact O-CD1 3.41Å; L146-K159 CarbonylContact O-C 3.57Å; L146-K159 VanDerWaalsContact O-CA 3.3Å; L146-K159 WeakPolarHBondContact O-CA 3.25Å; L146-I160 PolarHBondContact N-O 2.95Å; L146-I160 PolarHBondContact O-N 3.25Å; L146-I194 HydrophobicContact CD2-CD1 3.42Å; L146-I194 VanDerWaalsContact CD2-CD1 3.42Å; L146-W216 HydrophobicContact CD1-CH2 3.82Å; L146-W216 HydrophobicContact CD1-CZ3 3.48Å; L146-W216 VanDerWaalsContact CD1-CZ3 3.48Å
147	R	89.1	Confident	77.1	Confident	93 Å²	93	75.5 Å²	75.5	35%	0.351	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	161.1	174.2	-59.4	-167.2	-164.2	-129.6	4.3	112.4	F137 L138 D140 A158 K159	F137-R147 WeakPolarHBondContact CA-O 3.47Å; L138-R147 HydrophobicContact CD1-CB 4.28Å; L138-R147 HydrophobicContact CG-CB 4.41Å; L138-R147 PolarHBondContact N-O 2.72Å; L138-R147 PolarHBondContact O-N 3.09Å; D140-R147 VanDerWaalsContact OD1-CD 3.31Å; D140-R147 WeakPolarHBondContact OD1-CD 3.27Å; D140-R147 IonicContact OD1-CZ 3.45Å; D140-R147 IonicContact OD1-NE 3.85Å; D140-R147 PolarHBondContact OD1-NE 2.8Å; D140-R147 IonicContact OD1-NH2 3.93Å; D140-R147 IonicContact OD2-CZ 2.67Å; D140-R147 IonicContact OD2-NE 3.69Å; D140-R147 PolarHBondContact OD2-NE 3.04Å; D140-R147 IonicContact OD2-NH2 3.51Å; D140-R147 PolarHBondContact OD2-NH2 2.7Å; R147-A158 WeakPolarHBondContact CA-O 3.43Å; R147-K159 HydrophobicContact CG-CG 4.24Å
148	W	89.8	Confident	76.6	Confident	32 Å²	32	75.8 Å²	75.8	12%	0.121	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	168	169.6	61	84	0	0	0	111.6	Y136 F137 P150 A158 I160 L203	Y136-W148 WeakPolarHBondContact O-CA 3.41Å; Y136-W148 VanDerWaalsContact O-CB 3.32Å; Y136-W148 WeakPolarHBondContact O-CB 3.1Å; F137-W148 HydrophobicContact CD1-CB 3.59Å; F137-W148 HydrophobicContact CD1-CD2 4.3Å; F137-W148 AromaticContact CD1-CE3 3.95Å; F137-W148 HydrophobicContact CD1-CE3 3.95Å; F137-W148 HydrophobicContact CD1-CG 4.2Å; F137-W148 HydrophobicContact CD2-CB 4.16Å; F137-W148 HydrophobicContact CE1-CB 3.63Å; F137-W148 AromaticContact CE1-CD2 3.7Å; F137-W148 HydrophobicContact CE1-CD2 3.7Å; F137-W148 AromaticContact CE1-CE3 3.51Å; F137-W148 HydrophobicContact CE1-CE3 3.51Å; F137-W148 AromaticContact CE1-CG 3.75Å; F137-W148 HydrophobicContact CE1-CG 3.75Å; F137-W148 HydrophobicContact CE1-CZ3 4.45Å; F137-W148 HydrophobicContact CE2-CB 4.22Å; F137-W148 HydrophobicContact CG-CB 3.86Å; F137-W148 HydrophobicContact CZ-CB 3.94Å; F137-W148 HydrophobicContact CZ-CD2 4.28Å; F137-W148 HydrophobicContact CZ-CE3 4.48Å; F137-W148 HydrophobicContact CZ-CG 4.03Å; W148-P150 WeakPolarHBondContact O-CD 3.47Å; W148-A158 HydrophobicContact CD2-CB 4.4Å; W148-A158 VanDerWaalsContact CE2-CA 3.49Å; W148-A158 HydrophobicContact CG-CB 4.4Å; W148-A158 HydrophobicContact CZ2-CB 4.39Å; W148-A158 PolarHBondContact N-O 3.08Å; W148-A158 VanDerWaalsContact N-O 3.13Å; W148-A158 VanDerWaalsContact O-CB 3.31Å; W148-A158 WeakPolarHBondContact O-CB 3.44Å; W148-I160 HydrophobicContact CH2-CD1 4.06Å; W148-I160 HydrophobicContact CH2-CG1 3.97Å; W148-I160 HydrophobicContact CZ3-CD1 3.94Å; W148-I160 HydrophobicContact CZ3-CG1 3.94Å; W148-L203 HydrophobicContact CE3-CD2 4.3Å; W148-L203 HydrophobicContact CH2-CD2 4.18Å; W148-L203 HydrophobicContact CZ3-CD2 3.77Å
149	E	80.6	Confident	76.4	Confident	112 Å²	112	76.7 Å²	76.7	52%	0.523	38%	0.384	S	S	.	.			trans	-65.7	122.8	-179.5	-60.7	174.4	117.3	0	0	112.5	R135 Y136	R135-E149 VanDerWaalsContact CD-O 3.23Å; R135-E149 WeakPolarHBondContact CD-O 3.46Å; R135-E149 PolarHBondContact NE-O 3.25Å; Y136-E149 PolarHBondContact N-OE2 3.13Å; Y136-E149 VanDerWaalsContact N-OE2 3.11Å; Y136-E149 PolarHBondContact O-N 2.92Å
150	P	69	Low	76.3	Confident	63 Å²	63	76.9 Å²	76.9	41%	0.409	39%	0.385	S	S	.	.			trans	-77	138.3	-175.7	31.5	-36.2	0	0	0	112.1	W148 K152 A158	W148-P150 WeakPolarHBondContact O-CD 3.47Å; P150-K152 WeakPolarHBondContact CB-O 3.44Å; P150-K152 PolarHBondContact O-N 3.4Å; P150-A158 HydrophobicContact CB-CB 3.77Å
151	T	58.2	Low	76.3	Confident	101 Å²	101	78.5 Å²	78.5	62%	0.62	39%	0.394	S	S	*	.	S	Bend	trans	-70.9	-10.6	-179.8	-45.3	0	0	0	0	114	R135	R135-T151 PolarHBondContact NH2-OG1 3.28Å
152	K	61.3	Low	76.5	Confident	157 Å²	157	75 Å²	75	68%	0.683	36%	0.363	S	S	*	.	S	Bend	trans	-150.8	176	179.8	-72.6	-170.7	176.8	-178.3	0	109	P150 E154	P150-K152 WeakPolarHBondContact CB-O 3.44Å; P150-K152 PolarHBondContact O-N 3.4Å; K152-E154 PolarHBondContact O-N 3.19Å
153	K	54.7	Low	76.7	Confident	216 Å²	216	76.1 Å²	76.1	94%	0.939	36%	0.364	S	S	*	.	S	Bend	trans	-61.4	2.5	176	-73	-171	172.7	-173.4	0	116.1	S155	K153-S155 PolarHBondContact O-N 3.07Å
154	E	55.6	Low	76.7	Confident	99 Å²	99	76.6 Å²	76.6	46%	0.463	37%	0.37	S	S	.	.			trans	-87.9	78.7	176.3	-68.5	169.9	-121.3	0	0	110.2	K152 E156 K157	K152-E154 PolarHBondContact O-N 3.19Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 2.94Å; E154-K157 WeakPolarHBondContact OE2-CD 3.47Å; E154-K157 WeakPolarHBondContact OE2-CE 3.21Å; E154-K157 IonicContact OE2-NZ 3.47Å; E154-K157 PolarHBondContact OE2-NZ 3.39Å
155	S	61.9	Low	76.9	Confident	71 Å²	71	74.7 Å²	74.7	50%	0.497	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-60	-38.1	-179.3	49.8	0	0	0	0	113.6	K153 K157 A158	K153-S155 PolarHBondContact O-N 3.07Å; S155-K157 PolarHBondContact O-N 2.61Å; S155-K157 VanDerWaalsContact O-N 3.14Å; S155-A158 PolarHBondContact O-N 3.29Å
156	E	62.3	Low	76.4	Confident	147 Å²	147	79.8 Å²	79.8	69%	0.687	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.2	-176.1	-63	-53.3	105.7	0	0	113.6	E154 A158	E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 2.94Å; E156-A158 PolarHBondContact O-N 3.1Å
157	K	68.2	Low	75.9	Confident	154 Å²	154	81.7 Å²	81.7	67%	0.67	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-85	7.9	-179.6	-65.4	179.3	-175.6	163.6	0	113.7	E154 S155	E154-K157 WeakPolarHBondContact OE2-CD 3.47Å; E154-K157 WeakPolarHBondContact OE2-CE 3.21Å; E154-K157 IonicContact OE2-NZ 3.47Å; E154-K157 PolarHBondContact OE2-NZ 3.39Å; S155-K157 PolarHBondContact O-N 2.61Å; S155-K157 VanDerWaalsContact O-N 3.14Å
158	A	83.2	Confident	75.6	Confident	6 Å²	6	77.7 Å²	77.7	5%	0.05	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-113.5	33.4	177.5	0	0	0	0	0	112.8	R147 W148 P150 S155 E156	R147-A158 WeakPolarHBondContact CA-O 3.43Å; W148-A158 HydrophobicContact CD2-CB 4.4Å; W148-A158 VanDerWaalsContact CE2-CA 3.49Å; W148-A158 HydrophobicContact CG-CB 4.4Å; W148-A158 HydrophobicContact CZ2-CB 4.39Å; W148-A158 PolarHBondContact N-O 3.08Å; W148-A158 VanDerWaalsContact N-O 3.13Å; W148-A158 VanDerWaalsContact O-CB 3.31Å; W148-A158 WeakPolarHBondContact O-CB 3.44Å; P150-A158 HydrophobicContact CB-CB 3.77Å; S155-A158 PolarHBondContact O-N 3.29Å; E156-A158 PolarHBondContact O-N 3.1Å
159	K	87.9	Confident	75.1	Confident	79 Å²	79	78.1 Å²	78.1	34%	0.343	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.4	-175.5	-173.2	178.1	-176	-175	0	111	S145 L146 R147	S145-K159 WeakPolarHBondContact OG-CE 3.15Å; S145-K159 PolarHBondContact OG-NZ 3.31Å; L146-K159 CarbonylContact O-C 3.57Å; L146-K159 VanDerWaalsContact O-CA 3.3Å; L146-K159 WeakPolarHBondContact O-CA 3.25Å; R147-K159 HydrophobicContact CG-CG 4.24Å
160	I	89.1	Confident	75	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.2	165.2	-68.9	172.4	0	0	0	107.5	S145 L146 W148 I165 F196 L203	S145-I160 CarbonylContact C-O 3.53Å; S145-I160 VanDerWaalsContact CA-O 3.31Å; S145-I160 WeakPolarHBondContact CA-O 3.22Å; L146-I160 PolarHBondContact N-O 2.95Å; L146-I160 PolarHBondContact O-N 3.25Å; W148-I160 HydrophobicContact CH2-CD1 4.06Å; W148-I160 HydrophobicContact CH2-CG1 3.97Å; W148-I160 HydrophobicContact CZ3-CD1 3.94Å; W148-I160 HydrophobicContact CZ3-CG1 3.94Å; I160-I165 HydrophobicContact CG2-CD1 4.27Å; I160-I165 HydrophobicContact CG2-CG1 3.8Å; I160-F196 HydrophobicContact CD1-CD1 3.81Å; I160-F196 HydrophobicContact CD1-CD2 4.24Å; I160-F196 HydrophobicContact CD1-CE1 3.81Å; I160-F196 HydrophobicContact CD1-CE2 4.24Å; I160-F196 HydrophobicContact CD1-CG 4.06Å; I160-F196 HydrophobicContact CD1-CZ 4.04Å; I160-F196 HydrophobicContact CG1-CD2 4.3Å; I160-F196 HydrophobicContact CG1-CE2 4.3Å; I160-F196 HydrophobicContact CG2-CB 4.35Å; I160-F196 HydrophobicContact CG2-CD2 4.45Å; I160-F196 HydrophobicContact CG2-CG 4.36Å; I160-L203 HydrophobicContact CD1-CB 4.29Å; I160-L203 HydrophobicContact CD1-CD2 3.54Å
161	D	87.1	Confident	75.4	Confident	59 Å²	59	72.7 Å²	72.7	32%	0.316	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.6	168.4	-173.7	-38.5	0	0	0	108.4	K163 S164	D161-K163 PolarHBondContact O-N 2.96Å; D161-K163 VanDerWaalsContact OD1-CB 3.3Å; D161-K163 WeakPolarHBondContact OD1-CB 3.14Å; D161-K163 VanDerWaalsContact OD1-CG 3.29Å; D161-K163 WeakPolarHBondContact OD1-CG 3.24Å; D161-K163 PolarHBondContact OD1-N 3.06Å; D161-K163 IonicContact OD1-NZ 2.75Å; D161-K163 PolarHBondContact OD1-NZ 3.5Å; D161-K163 IonicContact OD2-NZ 2.69Å; D161-K163 PolarHBondContact OD2-NZ 2.94Å; D161-S164 WeakPolarHBondContact O-CB 3.49Å; D161-S164 PolarHBondContact O-N 3.42Å; D161-S164 PolarHBondContact O-OG 3.47Å
162	V	85.6	Confident	76.4	Confident	11 Å²	11	68.8 Å²	68.8	7%	0.067	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-53.8	-36	178.7	168.7	0	0	0	0	111.7	L139 Q144 S164 I165 L223	L139-V162 HydrophobicContact CD1-CG2 4.26Å; Q144-V162 PolarHBondContact O-N 2.99Å; V162-S164 PolarHBondContact O-N 3Å; V162-I165 WeakPolarHBondContact O-CB 3.48Å; V162-I165 PolarHBondContact O-N 2.79Å; V162-I165 VanDerWaalsContact O-N 3.1Å; V162-L223 HydrophobicContact CG1-CB 3.89Å
163	K	83	Confident	76.8	Confident	113 Å²	113	62.4 Å²	62.4	49%	0.491	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-65	-19.1	176.9	-57.6	169	-145.1	68.3	0	113.8	Q144 D161	Q144-K163 VanDerWaalsContact OE1-CE 3.3Å; D161-K163 PolarHBondContact O-N 2.96Å; D161-K163 VanDerWaalsContact OD1-CB 3.3Å; D161-K163 WeakPolarHBondContact OD1-CB 3.14Å; D161-K163 VanDerWaalsContact OD1-CG 3.29Å; D161-K163 WeakPolarHBondContact OD1-CG 3.24Å; D161-K163 PolarHBondContact OD1-N 3.06Å; D161-K163 IonicContact OD1-NZ 2.75Å; D161-K163 PolarHBondContact OD1-NZ 3.5Å; D161-K163 IonicContact OD2-NZ 2.69Å; D161-K163 PolarHBondContact OD2-NZ 2.94Å
164	S	85.6	Confident	77.9	Confident	37 Å²	37	52.4 Å²	52.4	26%	0.259	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-87	-13.7	177.4	73.7	0	0	0	0	112.9	D161 V162 F196 G197	D161-S164 WeakPolarHBondContact O-CB 3.49Å; D161-S164 PolarHBondContact O-N 3.42Å; D161-S164 PolarHBondContact O-OG 3.47Å; V162-S164 PolarHBondContact O-N 3Å; S164-F196 CarbonylContact O-C 3.47Å; S164-F196 VanDerWaalsContact O-CA 3.25Å; S164-F196 WeakPolarHBondContact O-CA 3.49Å; S164-F196 WeakPolarHBondContact O-CB 3.35Å; S164-G197 PolarHBondContact O-N 3Å
165	I	85.2	Confident	78.8	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.8	176.2	-52.8	174.4	0	0	0	108.9	I160 V162 V168 I194 F196 L220 I224	I160-I165 HydrophobicContact CG2-CD1 4.27Å; I160-I165 HydrophobicContact CG2-CG1 3.8Å; V162-I165 WeakPolarHBondContact O-CB 3.48Å; V162-I165 PolarHBondContact O-N 2.79Å; V162-I165 VanDerWaalsContact O-N 3.1Å; I165-V168 HydrophobicContact CG2-CG2 4.34Å; I165-I194 HydrophobicContact CB-CG2 4.39Å; I165-I194 HydrophobicContact CD1-CG2 3.86Å; I165-I194 HydrophobicContact CG1-CG2 3.89Å; I165-I194 HydrophobicContact CG2-CG2 3.62Å; I165-F196 HydrophobicContact CG1-CB 4.46Å; I165-L220 HydrophobicContact CD1-CD2 4.16Å; I165-I224 HydrophobicContact CB-CD1 4.25Å; I165-I224 HydrophobicContact CB-CG1 4.28Å; I165-I224 HydrophobicContact CG2-CD1 3.57Å; I165-I224 HydrophobicContact CG2-CG1 4.15Å
166	K	77.3	Confident	79.6	Confident	109 Å²	109	51.8 Å²	51.8	47%	0.474	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-40.8	178.4	-60.4	-56.2	-173	-178.3	0	112.1	I195 Y200	K166-I195 PolarHBondContact N-O 3.44Å; K166-Y200 HydrophobicContact CB-CE1 4.36Å; K166-Y200 HydrophobicContact CG-CE1 4.49Å
167	E	78.7	Confident	80.4	Confident	40 Å²	40	44.8 Å²	44.8	19%	0.187	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	161	179.7	57.5	178.1	-177	0	0	111.1	R169 I195	E167-R169 IonicContact OE1-CZ 2.7Å; E167-R169 IonicContact OE1-NE 3.17Å; E167-R169 PolarHBondContact OE1-NE 3.44Å; E167-R169 IonicContact OE1-NH2 2.7Å; E167-R169 PolarHBondContact OE1-NH2 3.43Å; E167-R169 IonicContact OE2-NE 3.81Å; E167-I195 HydrophobicContact CG-CB 3.63Å; E167-I195 HydrophobicContact CG-CG1 3.75Å; E167-I195 HydrophobicContact CG-CG2 4.3Å; E167-I195 PolarHBondContact N-O 3.09Å; E167-I195 PolarHBondContact O-N 3Å
168	V	83.4	Confident	80.5	Confident	9 Å²	9	41.7 Å²	41.7	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.5	169.2	-174.1	0	0	0	0	109.2	I165 F192 V217 L220 R221 I224	I165-V168 HydrophobicContact CG2-CG2 4.34Å; V168-F192 HydrophobicContact CG1-CD2 4.09Å; V168-V217 HydrophobicContact CG1-CB 4.45Å; V168-V217 HydrophobicContact CG1-CG1 4.35Å; V168-V217 HydrophobicContact CG1-CG2 3.95Å; V168-L220 HydrophobicContact CG2-CB 3.86Å; V168-L220 HydrophobicContact CG2-CD1 4.28Å; V168-R221 HydrophobicContact CB-CG 4.45Å; V168-R221 PolarHBondContact O-NE 2.81Å; V168-R221 PolarHBondContact O-NH2 2.75Å; V168-I224 HydrophobicContact CG2-CD1 3.84Å
169	R	79.9	Confident	79.7	Confident	40 Å²	40	45.5 Å²	45.5	15%	0.151	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.9	177.7	-58.3	-174.2	-173	-176.1	2.6	109.6	E167 N173 F192 S193 I195	E167-R169 IonicContact OE1-CZ 2.7Å; E167-R169 IonicContact OE1-NE 3.17Å; E167-R169 PolarHBondContact OE1-NE 3.44Å; E167-R169 IonicContact OE1-NH2 2.7Å; E167-R169 PolarHBondContact OE1-NH2 3.43Å; E167-R169 IonicContact OE2-NE 3.81Å; R169-N173 PolarHBondContact NH1-O 3.31Å; R169-F192 CarbonylContact O-C 3.52Å; R169-F192 VanDerWaalsContact O-CA 3.28Å; R169-F192 WeakPolarHBondContact O-CA 3.32Å; R169-F192 WeakPolarHBondContact O-CB 3.49Å; R169-S193 PolarHBondContact N-O 3.02Å; R169-S193 PolarHBondContact O-N 3.19Å; R169-I195 HydrophobicContact CG-CG1 4.33Å
170	T	78.9	Confident	78.7	Confident	56 Å²	56	42.1 Å²	42.1	34%	0.344	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	159.1	166.1	37	0	0	0	0	110.4	N173 V217	T170-N173 PolarHBondContact O-ND2 2.97Å; T170-V217 HydrophobicContact CG2-CG1 3.88Å; T170-V217 HydrophobicContact CG2-CG2 4.06Å
171	G	76.5	Confident	77.3	Confident	5 Å²	5	45 Å²	45	5%	0.052	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-166.2	175.3	0	0	0	0	0	115.1	N173 E188 A191	G171-N173 PolarHBondContact O-N 2.94Å; G171-N173 VanDerWaalsContact O-N 3.15Å; G171-E188 WeakPolarHBondContact CA-O 3.4Å; G171-E188 WeakPolarHBondContact CA-OE1 3.37Å; G171-A191 WeakPolarHBondContact CA-O 3.47Å; G171-A191 PolarHBondContact N-O 3.47Å
172	K	78.2	Confident	76.1	Confident	19 Å²	19	43.5 Å²	43.5	8%	0.083	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	28.4	-171.6	-61.9	175.9	-171.2	176.4	0	112.7	T174 F177 Y183 I186 E188 A191	K172-T174 PolarHBondContact O-N 3.18Å; K172-F177 HydrophobicContact CB-CB 3.97Å; K172-F177 HydrophobicContact CB-CG 4.29Å; K172-F177 WeakPolarHBondContact O-CB 3.43Å; K172-Y183 HydrophobicContact CB-CE2 3.78Å; K172-Y183 HydrophobicContact CD-CD1 4.07Å; K172-Y183 HydrophobicContact CD-CD2 4.09Å; K172-Y183 HydrophobicContact CD-CE1 3.64Å; K172-Y183 HydrophobicContact CD-CE2 3.69Å; K172-Y183 HydrophobicContact CD-CG 4.29Å; K172-Y183 VanDerWaalsContact CD-CZ 3.45Å; K172-Y183 HydrophobicContact CG-CE2 4.34Å; K172-Y183 PolarHBondContact NZ-O 3.12Å; K172-I186 WeakPolarHBondContact CE-O 3.47Å; K172-I186 PolarHBondContact NZ-O 2.88Å; K172-E188 HydrophobicContact CD-CB 4.48Å; K172-E188 WeakPolarHBondContact CD-OE2 3.39Å; K172-E188 HydrophobicContact CG-CB 4.48Å; K172-E188 HydrophobicContact CG-CG 4.49Å; K172-E188 PolarHBondContact N-OE1 2.82Å; K172-A191 HydrophobicContact CG-CB 4.33Å
173	N	71.6	Confident	74.9	Confident	23 Å²	23	44.6 Å²	44.6	12%	0.123	24%	0.237	C	C	.	.			trans	-82.6	24.2	-160.8	-72.3	-62.6	0	0	0	116	R169 T170 G171 G922	R169-N173 PolarHBondContact NH1-O 3.31Å; T170-N173 PolarHBondContact O-ND2 2.97Å; G171-N173 PolarHBondContact O-N 2.94Å; G171-N173 VanDerWaalsContact O-N 3.15Å; N173-G922 WeakPolarHBondContact CB-O 3.38Å; N173-G922 VanDerWaalsContact CG-O 3.23Å; N173-G922 PolarHBondContact OD1-O 2.91Å
174	T	77.4	Confident	73.9	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.037	24%	0.243	C	C	.	.	S	Bend	trans	-119.1	163.6	175.7	66.1	0	0	0	0	112.3	K172 T176 F177 R178 S193 I195 D204	K172-T174 PolarHBondContact O-N 3.18Å; T174-T176 VanDerWaalsContact C-N 3.3Å; T174-F177 PolarHBondContact O-N 3.3Å; T174-F177 WeakPolarHBondContact OG1-CD2 3.48Å; T174-F177 PolarHBondContact OG1-N 2.86Å; T174-R178 WeakPolarHBondContact O-CB 3.39Å; T174-R178 WeakPolarHBondContact O-CG 3.44Å; T174-R178 PolarHBondContact O-N 3.1Å; T174-R178 VanDerWaalsContact O-N 3.1Å; T174-R178 PolarHBondContact O-NE 2.95Å; T174-S193 VanDerWaalsContact CG2-CB 3.47Å; T174-S193 VanDerWaalsContact CG2-OG 3.23Å; T174-S193 WeakPolarHBondContact CG2-OG 3.39Å; T174-I195 HydrophobicContact CG2-CD1 4.26Å; T174-D204 VanDerWaalsContact CB-OD1 3.32Å; T174-D204 WeakPolarHBondContact CB-OD1 3.28Å; T174-D204 VanDerWaalsContact CG2-OD1 3.26Å; T174-D204 WeakPolarHBondContact CG2-OD1 3.48Å; T174-D204 PolarHBondContact OG1-OD1 2.96Å
175	E	73.9	Confident	73.1	Confident	139 Å²	139	50.8 Å²	50.8	65%	0.65	27%	0.267	S	S	*	.	H	α-helix	trans	-65.9	-33.9	174.5	-168.4	168.1	-177.4	0	0	111.7	F177 R178 T179	E175-F177 PolarHBondContact O-N 2.74Å; E175-R178 PolarHBondContact O-N 2.79Å; E175-T179 HydrophobicContact CG-CG2 3.91Å; E175-T179 WeakPolarHBondContact O-CB 3.32Å; E175-T179 WeakPolarHBondContact O-CG2 3.46Å; E175-T179 PolarHBondContact O-N 3.33Å; E175-T179 PolarHBondContact O-OG1 2.64Å
176	T	79.7	Confident	72.6	Confident	18 Å²	18	51 Å²	51	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-49.2	173.5	-59.9	0	0	0	0	112.3	V126 T174 N180 D204	V126-T176 HydrophobicContact CG1-CG2 3.99Å; T174-T176 VanDerWaalsContact C-N 3.3Å; T176-N180 VanDerWaalsContact O-CB 3.25Å; T176-N180 WeakPolarHBondContact O-CB 3.49Å; T176-D204 VanDerWaalsContact CB-CG 3.49Å; T176-D204 WeakPolarHBondContact CB-OD2 3.45Å; T176-D204 HydrophobicContact CG2-CB 3.92Å; T176-D204 WeakPolarHBondContact CG2-OD2 3.47Å; T176-D204 PolarHBondContact OG1-OD2 3.2Å
177	F	78.8	Confident	72.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-53	176.5	-78.6	-64.7	0	0	0	110.6	V126 K172 T174 E175 T179 N180 Y183 I186 A191 S193 D204 V206	V126-F177 HydrophobicContact CB-CE1 4.32Å; V126-F177 HydrophobicContact CG1-CE1 4.43Å; V126-F177 HydrophobicContact CG2-CE1 3.87Å; V126-F177 HydrophobicContact CG2-CZ 4.32Å; K172-F177 HydrophobicContact CB-CB 3.97Å; K172-F177 HydrophobicContact CB-CG 4.29Å; K172-F177 WeakPolarHBondContact O-CB 3.43Å; T174-F177 PolarHBondContact O-N 3.3Å; T174-F177 WeakPolarHBondContact OG1-CD2 3.48Å; T174-F177 PolarHBondContact OG1-N 2.86Å; E175-F177 PolarHBondContact O-N 2.74Å; F177-T179 PolarHBondContact O-N 3.15Å; F177-T179 VanDerWaalsContact O-N 3.13Å; F177-N180 WeakPolarHBondContact O-CB 3.29Å; F177-N180 PolarHBondContact O-N 3.39Å; F177-N180 VanDerWaalsContact O-N 3.1Å; F177-Y183 WeakPolarHBondContact O-CD2 3.25Å; F177-I186 HydrophobicContact CD1-CD1 4.34Å; F177-I186 HydrophobicContact CE1-CD1 4.18Å; F177-I186 HydrophobicContact CE1-CG2 4.28Å; F177-A191 HydrophobicContact CE1-CB 4.3Å; F177-A191 HydrophobicContact CE2-CB 4.35Å; F177-A191 HydrophobicContact CZ-CB 3.94Å; F177-S193 WeakPolarHBondContact CE2-OG 3.4Å; F177-D204 HydrophobicContact CD2-CB 4.28Å; F177-D204 HydrophobicContact CE2-CB 3.78Å; F177-D204 HydrophobicContact CZ-CB 4.09Å; F177-V206 HydrophobicContact CE1-CG2 3.59Å; F177-V206 HydrophobicContact CZ-CG2 3.76Å
178	R	69.6	Low	72.3	Confident	89 Å²	89	49.7 Å²	49.7	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-21.6	-173.3	-69.7	-178.6	-70	-163.7	6.4	115.3	T174 E175 Y183 E919	T174-R178 WeakPolarHBondContact O-CB 3.39Å; T174-R178 WeakPolarHBondContact O-CG 3.44Å; T174-R178 PolarHBondContact O-N 3.1Å; T174-R178 VanDerWaalsContact O-N 3.1Å; T174-R178 PolarHBondContact O-NE 2.95Å; E175-R178 PolarHBondContact O-N 2.79Å; R178-Y183 HydrophobicContact CG-CE2 4.05Å; R178-E919 PolarHBondContact NH1-O 3.02Å; R178-E919 PolarHBondContact NH2-O 2.92Å
179	T	67.4	Low	71.9	Confident	87 Å²	87	51.6 Å²	51.6	53%	0.534	28%	0.28	S	S	.	.	H	α-helix	trans	-99.3	-7.9	177.6	57.2	0	0	0	0	114.5	E175 F177	E175-T179 HydrophobicContact CG-CG2 3.91Å; E175-T179 WeakPolarHBondContact O-CB 3.32Å; E175-T179 WeakPolarHBondContact O-CG2 3.46Å; E175-T179 PolarHBondContact O-N 3.33Å; E175-T179 PolarHBondContact O-OG1 2.64Å; F177-T179 PolarHBondContact O-N 3.15Å; F177-T179 VanDerWaalsContact O-N 3.13Å
180	N	66.6	Low	72.2	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	28%	0.278	C	S	.	.			trans	-83.1	132.8	-175.1	173.8	-1.3	0	0	0	111.9	V126 S130 T176 F177 T182 Y183	V126-N180 VanDerWaalsContact CG1-ND2 3.3Å; V126-N180 WeakPolarHBondContact CG1-ND2 3.28Å; S130-N180 WeakPolarHBondContact CA-OD1 3.37Å; S130-N180 WeakPolarHBondContact CB-OD1 3.24Å; S130-N180 PolarHBondContact OG-OD1 2.92Å; T176-N180 VanDerWaalsContact O-CB 3.25Å; T176-N180 WeakPolarHBondContact O-CB 3.49Å; F177-N180 WeakPolarHBondContact O-CB 3.29Å; F177-N180 PolarHBondContact O-N 3.39Å; F177-N180 VanDerWaalsContact O-N 3.1Å; N180-T182 PolarHBondContact ND2-OG1 3.4Å; N180-T182 PolarHBondContact O-N 2.8Å; N180-T182 PolarHBondContact OD1-N 3.24Å; N180-T182 PolarHBondContact OD1-OG1 2.93Å; N180-Y183 PolarHBondContact O-N 3.45Å; N180-Y183 VanDerWaalsContact O-N 3.12Å
181	G	59.3	Low	72.6	Confident	69 Å²	69	47.9 Å²	47.9	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-1.9	178.2	0	0	0	0	0	115.8	S130	S130-G181 PolarHBondContact OG-N 3.34Å
182	T	61.4	Low	73.2	Confident	26 Å²	26	47.7 Å²	47.7	16%	0.16	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	11.4	174.6	56.5	0	0	0	0	113.6	N180 D184 Q185 I186	N180-T182 PolarHBondContact ND2-OG1 3.4Å; N180-T182 PolarHBondContact O-N 2.8Å; N180-T182 PolarHBondContact OD1-N 3.24Å; N180-T182 PolarHBondContact OD1-OG1 2.93Å; T182-D184 PolarHBondContact O-N 3.37Å; T182-D184 VanDerWaalsContact O-N 3.14Å; T182-Q185 PolarHBondContact O-N 2.88Å; T182-I186 PolarHBondContact O-N 2.83Å
183	Y	61.3	Low	73.8	Confident	34 Å²	34	46.8 Å²	46.8	13%	0.133	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-47.9	-42.8	179.4	-175.6	-75.9	0	0	0	113.6	K172 F177 R178 N180 Q185	K172-Y183 HydrophobicContact CB-CE2 3.78Å; K172-Y183 HydrophobicContact CD-CD1 4.07Å; K172-Y183 HydrophobicContact CD-CD2 4.09Å; K172-Y183 HydrophobicContact CD-CE1 3.64Å; K172-Y183 HydrophobicContact CD-CE2 3.69Å; K172-Y183 HydrophobicContact CD-CG 4.29Å; K172-Y183 VanDerWaalsContact CD-CZ 3.45Å; K172-Y183 HydrophobicContact CG-CE2 4.34Å; K172-Y183 PolarHBondContact NZ-O 3.12Å; F177-Y183 WeakPolarHBondContact O-CD2 3.25Å; R178-Y183 HydrophobicContact CG-CE2 4.05Å; N180-Y183 PolarHBondContact O-N 3.45Å; N180-Y183 VanDerWaalsContact O-N 3.12Å; Y183-Q185 VanDerWaalsContact C-N 3.3Å; Y183-Q185 PolarHBondContact O-N 3.25Å
184	D	61.3	Low	74.7	Confident	116 Å²	116	45.7 Å²	45.7	62%	0.62	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-81.5	-8.3	-175.1	-47.9	-57	0	0	0	112.9	T182 R865	T182-D184 PolarHBondContact O-N 3.37Å; T182-D184 VanDerWaalsContact O-N 3.14Å; D184-R865 IonicContact OD1-CZ 3.56Å; D184-R865 IonicContact OD1-NH1 2.71Å; D184-R865 PolarHBondContact OD1-NH1 3.49Å; D184-R865 IonicContact OD2-NH1 3.34Å
185	Q	68.3	Low	75.2	Confident	164 Å²	164	45.6 Å²	45.6	77%	0.766	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-98.4	-7.3	177.7	-62.7	179.7	-13.3	0	0	113.3	T182 Y183	T182-Q185 PolarHBondContact O-N 2.88Å; Y183-Q185 VanDerWaalsContact C-N 3.3Å; Y183-Q185 PolarHBondContact O-N 3.25Å
186	I	75.8	Confident	75.8	Confident	16 Å²	16	40.9 Å²	40.9	8%	0.082	23%	0.227	C	C	.	.	S	Bend	trans	-102.1	131.7	-179.2	-71	165.8	0	0	0	107.5	V126 I132 K172 F177 T182 A191 V206	V126-I186 HydrophobicContact CG2-CD1 4.5Å; I132-I186 HydrophobicContact CD1-CD1 4.46Å; K172-I186 WeakPolarHBondContact CE-O 3.47Å; K172-I186 PolarHBondContact NZ-O 2.88Å; F177-I186 HydrophobicContact CD1-CD1 4.34Å; F177-I186 HydrophobicContact CE1-CD1 4.18Å; F177-I186 HydrophobicContact CE1-CG2 4.28Å; T182-I186 PolarHBondContact O-N 2.83Å; I186-A191 HydrophobicContact CG2-CB 4.17Å; I186-V206 HydrophobicContact CD1-CG2 4.3Å; I186-V206 HydrophobicContact CG1-CG2 4.4Å; I186-V206 HydrophobicContact CG2-CB 4.48Å; I186-V206 HydrophobicContact CG2-CG1 3.94Å; I186-V206 HydrophobicContact CG2-CG2 3.62Å
187	S	74.3	Confident	75.9	Confident	53 Å²	53	41.1 Å²	41.1	37%	0.371	23%	0.233	S	C	.	.			trans	-68.9	141.3	167.3	162.8	0	0	0	0	109.8	D189 C190 A191	S187-D189 PolarHBondContact OG-N 2.9Å; S187-C190 PolarHBondContact OG-N 3.42Å; S187-A191 PolarHBondContact O-N 3.03Å
188	E	75.6	Confident	75.7	Confident	68 Å²	68	49.5 Å²	49.5	32%	0.318	27%	0.272	S	S	.	.	S	Bend	trans	-68.7	-46.1	175.7	-176.4	104.5	-148.3	0	0	110.5	G171 K172 C190 A191	G171-E188 WeakPolarHBondContact CA-O 3.4Å; G171-E188 WeakPolarHBondContact CA-OE1 3.37Å; K172-E188 HydrophobicContact CD-CB 4.48Å; K172-E188 WeakPolarHBondContact CD-OE2 3.39Å; K172-E188 HydrophobicContact CG-CB 4.48Å; K172-E188 HydrophobicContact CG-CG 4.49Å; K172-E188 PolarHBondContact N-OE1 2.82Å; E188-C190 PolarHBondContact O-N 2.7Å; E188-A191 WeakPolarHBondContact O-CB 3.44Å; E188-A191 PolarHBondContact O-N 3.13Å
189	D	74.4	Confident	75.9	Confident	48 Å²	48	51.7 Å²	51.7	26%	0.257	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.8	-178.9	-49.1	-88.8	0	0	0	112.6	S187 A210 A213 K732	S187-D189 PolarHBondContact OG-N 2.9Å; D189-A210 HydrophobicContact CB-CB 3.97Å; D189-A213 WeakPolarHBondContact O-CB 3.37Å; D189-K732 IonicContact OD1-NZ 3.17Å; D189-K732 PolarHBondContact OD1-NZ 3.15Å
190	C	85.4	Confident	76.3	Confident	18 Å²	18	50.6 Å²	50.6	12%	0.122	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.9	170.4	-64.1	0	0	0	0	113.9	S187 E188 V206 A207 T209	S187-C190 PolarHBondContact OG-N 3.42Å; E188-C190 PolarHBondContact O-N 2.7Å; C190-V206 HydrophobicContact CB-CG1 4.03Å; C190-V206 CarbonylContact O-C 3.6Å; C190-V206 WeakPolarHBondContact O-CA 3.32Å; C190-A207 PolarHBondContact O-N 3.21Å; C190-T209 VanDerWaalsContact SG-C 3.53Å
191	A	87.6	Confident	77.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.2	-173.5	0	0	0	0	0	112.5	G171 K172 F177 I186 S187 E188 L205 V206	G171-A191 WeakPolarHBondContact CA-O 3.47Å; G171-A191 PolarHBondContact N-O 3.47Å; K172-A191 HydrophobicContact CG-CB 4.33Å; F177-A191 HydrophobicContact CE1-CB 4.3Å; F177-A191 HydrophobicContact CE2-CB 4.35Å; F177-A191 HydrophobicContact CZ-CB 3.94Å; I186-A191 HydrophobicContact CG2-CB 4.17Å; S187-A191 PolarHBondContact O-N 3.03Å; E188-A191 WeakPolarHBondContact O-CB 3.44Å; E188-A191 PolarHBondContact O-N 3.13Å; A191-L205 WeakPolarHBondContact CA-O 3.33Å; A191-V206 HydrophobicContact CB-CG2 4.28Å
192	F	90.4	Very high	78.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.8	170.3	67.9	-79.5	0	0	0	111.9	L123 V168 R169 I194 L205 A213 W216 V217 L220	L123-F192 HydrophobicContact CD1-CE1 4.35Å; L123-F192 HydrophobicContact CD1-CZ 3.92Å; V168-F192 HydrophobicContact CG1-CD2 4.09Å; R169-F192 CarbonylContact O-C 3.52Å; R169-F192 VanDerWaalsContact O-CA 3.28Å; R169-F192 WeakPolarHBondContact O-CA 3.32Å; R169-F192 WeakPolarHBondContact O-CB 3.49Å; F192-I194 HydrophobicContact CD2-CG1 4.3Å; F192-I194 HydrophobicContact CE2-CD1 4.3Å; F192-I194 HydrophobicContact CE2-CG1 4.17Å; F192-L205 HydrophobicContact CD1-CB 4.28Å; F192-L205 HydrophobicContact CD2-CD1 4.48Å; F192-L205 HydrophobicContact CE1-CB 3.99Å; F192-L205 HydrophobicContact CE2-CB 4.29Å; F192-L205 HydrophobicContact CE2-CD1 3.68Å; F192-L205 HydrophobicContact CZ-CB 4Å; F192-L205 HydrophobicContact CZ-CD1 3.7Å; F192-L205 HydrophobicContact CZ-CG 4.49Å; F192-L205 PolarHBondContact N-O 3.15Å; F192-L205 PolarHBondContact O-N 3.3Å; F192-A213 HydrophobicContact CD1-CB 4.05Å; F192-A213 HydrophobicContact CE1-CB 4.42Å; F192-W216 HydrophobicContact CE1-CB 4.21Å; F192-W216 HydrophobicContact CE2-CB 4.12Å; F192-W216 HydrophobicContact CZ-CB 3.62Å; F192-W216 HydrophobicContact CZ-CG 4.16Å; F192-V217 HydrophobicContact CB-CG2 3.66Å; F192-V217 HydrophobicContact CD1-CG2 4.4Å; F192-V217 HydrophobicContact CD2-CG2 3.92Å; F192-V217 HydrophobicContact CG-CG2 3.77Å; F192-L220 HydrophobicContact CE2-CD1 4.25Å
193	S	89.9	Confident	79.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.4	179.4	-60.3	0	0	0	0	111.2	R169 T174 F177 L203 D204	R169-S193 PolarHBondContact N-O 3.02Å; R169-S193 PolarHBondContact O-N 3.19Å; T174-S193 VanDerWaalsContact CG2-CB 3.47Å; T174-S193 VanDerWaalsContact CG2-OG 3.23Å; T174-S193 WeakPolarHBondContact CG2-OG 3.39Å; F177-S193 WeakPolarHBondContact CE2-OG 3.4Å; S193-L203 WeakPolarHBondContact CA-O 3.4Å; S193-D204 WeakPolarHBondContact CB-OD1 3.24Å; S193-D204 PolarHBondContact OG-OD1 2.95Å
194	I	91.3	Very high	81.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.8	172.3	-52.8	174.4	0	0	0	107.3	L146 I165 F192 L203 L205 L220	L146-I194 HydrophobicContact CD2-CD1 3.42Å; L146-I194 VanDerWaalsContact CD2-CD1 3.42Å; I165-I194 HydrophobicContact CB-CG2 4.39Å; I165-I194 HydrophobicContact CD1-CG2 3.86Å; I165-I194 HydrophobicContact CG1-CG2 3.89Å; I165-I194 HydrophobicContact CG2-CG2 3.62Å; F192-I194 HydrophobicContact CD2-CG1 4.3Å; F192-I194 HydrophobicContact CE2-CD1 4.3Å; F192-I194 HydrophobicContact CE2-CG1 4.17Å; I194-L203 HydrophobicContact CB-CB 4.26Å; I194-L203 HydrophobicContact CD1-CD2 4.34Å; I194-L203 PolarHBondContact N-O 3.3Å; I194-L203 PolarHBondContact O-N 3.38Å; I194-L205 HydrophobicContact CD1-CD1 3.97Å; I194-L205 HydrophobicContact CG1-CD1 4.46Å; I194-L220 HydrophobicContact CD1-CD1 3.51Å; I194-L220 HydrophobicContact CG1-CD1 3.87Å
195	I	86	Confident	82.8	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.7	178.9	-50.3	-57.8	0	0	0	108.9	K166 E167 R169 T174 Y200 E201	K166-I195 PolarHBondContact N-O 3.44Å; E167-I195 HydrophobicContact CG-CB 3.63Å; E167-I195 HydrophobicContact CG-CG1 3.75Å; E167-I195 HydrophobicContact CG-CG2 4.3Å; E167-I195 PolarHBondContact N-O 3.09Å; E167-I195 PolarHBondContact O-N 3Å; R169-I195 HydrophobicContact CG-CG1 4.33Å; T174-I195 HydrophobicContact CG2-CD1 4.26Å; I195-Y200 HydrophobicContact CG2-CD1 3.82Å; I195-Y200 HydrophobicContact CG2-CG 4.3Å; I195-E201 CarbonylContact C-O 3.47Å; I195-E201 WeakPolarHBondContact CA-O 3.31Å
196	F	87.5	Confident	83.9	Confident	39 Å²	39	38.4 Å²	38.4	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	165	-168.8	68.8	-80.2	0	0	0	113.7	I160 S164 I165 E201 L203	I160-F196 HydrophobicContact CD1-CD1 3.81Å; I160-F196 HydrophobicContact CD1-CD2 4.24Å; I160-F196 HydrophobicContact CD1-CE1 3.81Å; I160-F196 HydrophobicContact CD1-CE2 4.24Å; I160-F196 HydrophobicContact CD1-CG 4.06Å; I160-F196 HydrophobicContact CD1-CZ 4.04Å; I160-F196 HydrophobicContact CG1-CD2 4.3Å; I160-F196 HydrophobicContact CG1-CE2 4.3Å; I160-F196 HydrophobicContact CG2-CB 4.35Å; I160-F196 HydrophobicContact CG2-CD2 4.45Å; I160-F196 HydrophobicContact CG2-CG 4.36Å; S164-F196 CarbonylContact O-C 3.47Å; S164-F196 VanDerWaalsContact O-CA 3.25Å; S164-F196 WeakPolarHBondContact O-CA 3.49Å; S164-F196 WeakPolarHBondContact O-CB 3.35Å; I165-F196 HydrophobicContact CG1-CB 4.46Å; F196-E201 HydrophobicContact CD1-CB 4.43Å; F196-E201 VanDerWaalsContact CD1-O 3.25Å; F196-E201 WeakPolarHBondContact CD1-O 3.5Å; F196-E201 HydrophobicContact CE1-CB 3.93Å; F196-E201 HydrophobicContact CE2-CB 4.14Å; F196-E201 HydrophobicContact CZ-CB 3.76Å; F196-E201 PolarHBondContact N-O 3.09Å; F196-E201 PolarHBondContact O-N 3.15Å; F196-L203 HydrophobicContact CD1-CB 4.4Å; F196-L203 HydrophobicContact CE1-CB 3.92Å
197	G	82.1	Confident	84.5	Confident	24 Å²	24	37.7 Å²	37.7	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-177.8	-177.4	0	0	0	0	0	113.8	S164	S164-G197 PolarHBondContact O-N 3Å
198	E	74.8	Confident	85.1	Confident	175 Å²	175	39.2 Å²	39.2	82%	0.818	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.8	179.1	-60.4	-177.3	156.8	0	0	112.3	Y200	E198-Y200 VanDerWaalsContact C-N 3.31Å; E198-Y200 WeakPolarHBondContact O-CD2 3.47Å; E198-Y200 PolarHBondContact O-N 3.14Å
199	N	73.7	Confident	85.3	Confident	135 Å²	135	39.1 Å²	39.1	72%	0.722	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	3.3	179.1	-65.6	-36.4	0	0	0	113.9	E201	N199-E201 HydrophobicContact CB-CG 4.4Å
200	Y	74.4	Confident	85.3	Confident	65 Å²	65	37.3 Å²	37.3	26%	0.255	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	51.2	-174.8	-68.3	-104.6	0	0	0	112.9	K166 I195 E198	K166-Y200 HydrophobicContact CB-CE1 4.36Å; K166-Y200 HydrophobicContact CG-CE1 4.49Å; I195-Y200 HydrophobicContact CG2-CD1 3.82Å; I195-Y200 HydrophobicContact CG2-CG 4.3Å; E198-Y200 VanDerWaalsContact C-N 3.31Å; E198-Y200 WeakPolarHBondContact O-CD2 3.47Å; E198-Y200 PolarHBondContact O-N 3.14Å
201	E	84.1	Confident	84.9	Confident	109 Å²	109	39.6 Å²	39.6	51%	0.509	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.2	175.9	-61.7	-166.7	168.4	0	0	111.1	I195 F196 N199	I195-E201 CarbonylContact C-O 3.47Å; I195-E201 WeakPolarHBondContact CA-O 3.31Å; F196-E201 HydrophobicContact CD1-CB 4.43Å; F196-E201 VanDerWaalsContact CD1-O 3.25Å; F196-E201 WeakPolarHBondContact CD1-O 3.5Å; F196-E201 HydrophobicContact CE1-CB 3.93Å; F196-E201 HydrophobicContact CE2-CB 4.14Å; F196-E201 HydrophobicContact CZ-CB 3.76Å; F196-E201 PolarHBondContact N-O 3.09Å; F196-E201 PolarHBondContact O-N 3.15Å; N199-E201 HydrophobicContact CB-CG 4.4Å
202	S	87.8	Confident	84.9	Confident	36 Å²	36	41.3 Å²	41.3	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.4	177.1	69.8	0	0	0	0	113.3	D204	S202-D204 WeakPolarHBondContact CB-OD2 3.29Å; S202-D204 PolarHBondContact OG-OD2 3.34Å
203	L	90.9	Very high	84.7	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	97.5	161.1	169.6	51	0	0	0	108.6	K125 F137 W148 I160 S193 I194 F196 L205	K125-L203 HydrophobicContact CD-CD1 3.94Å; K125-L203 HydrophobicContact CG-CD1 3.84Å; F137-L203 HydrophobicContact CE1-CD2 4.24Å; W148-L203 HydrophobicContact CE3-CD2 4.3Å; W148-L203 HydrophobicContact CH2-CD2 4.18Å; W148-L203 HydrophobicContact CZ3-CD2 3.77Å; I160-L203 HydrophobicContact CD1-CB 4.29Å; I160-L203 HydrophobicContact CD1-CD2 3.54Å; S193-L203 WeakPolarHBondContact CA-O 3.4Å; I194-L203 HydrophobicContact CB-CB 4.26Å; I194-L203 HydrophobicContact CD1-CD2 4.34Å; I194-L203 PolarHBondContact N-O 3.3Å; I194-L203 PolarHBondContact O-N 3.38Å; F196-L203 HydrophobicContact CD1-CB 4.4Å; F196-L203 HydrophobicContact CE1-CB 3.92Å; L203-L205 HydrophobicContact CD1-CD2 3.67Å; L203-L205 HydrophobicContact CD1-CG 4.12Å; L203-L205 HydrophobicContact CD2-CD1 4.42Å; L203-L205 HydrophobicContact CG-CD1 4.15Å; L203-L205 HydrophobicContact CG-CD2 4.05Å; L203-L205 HydrophobicContact CG-CG 4Å
204	D	91.4	Very high	84.2	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.4	-177.2	-55.3	-74	0	0	0	111.2	V126 T174 T176 F177 S193 S202	V126-D204 HydrophobicContact CB-CB 4.24Å; V126-D204 PolarHBondContact N-O 3.35Å; T174-D204 VanDerWaalsContact CB-OD1 3.32Å; T174-D204 WeakPolarHBondContact CB-OD1 3.28Å; T174-D204 VanDerWaalsContact CG2-OD1 3.26Å; T174-D204 WeakPolarHBondContact CG2-OD1 3.48Å; T174-D204 PolarHBondContact OG1-OD1 2.96Å; T176-D204 VanDerWaalsContact CB-CG 3.49Å; T176-D204 WeakPolarHBondContact CB-OD2 3.45Å; T176-D204 HydrophobicContact CG2-CB 3.92Å; T176-D204 WeakPolarHBondContact CG2-OD2 3.47Å; T176-D204 PolarHBondContact OG1-OD2 3.2Å; F177-D204 HydrophobicContact CD2-CB 4.28Å; F177-D204 HydrophobicContact CE2-CB 3.78Å; F177-D204 HydrophobicContact CZ-CB 4.09Å; S193-D204 WeakPolarHBondContact CB-OD1 3.24Å; S193-D204 PolarHBondContact OG-OD1 2.95Å; S202-D204 WeakPolarHBondContact CB-OD2 3.29Å; S202-D204 PolarHBondContact OG-OD2 3.34Å
205	L	92.8	Very high	83.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.5	-170	-61	177.9	0	0	0	111.5	L123 K125 F137 A191 F192 I194 L203	L123-L205 HydrophobicContact CD1-CD1 4.11Å; K125-L205 HydrophobicContact CB-CD2 4.11Å; K125-L205 HydrophobicContact CG-CD2 4.19Å; F137-L205 HydrophobicContact CE1-CD1 4.25Å; F137-L205 HydrophobicContact CE1-CD2 3.86Å; F137-L205 HydrophobicContact CE2-CD2 3.88Å; F137-L205 HydrophobicContact CZ-CD1 4.46Å; F137-L205 HydrophobicContact CZ-CD2 3.33Å; A191-L205 WeakPolarHBondContact CA-O 3.33Å; F192-L205 HydrophobicContact CD1-CB 4.28Å; F192-L205 HydrophobicContact CD2-CD1 4.48Å; F192-L205 HydrophobicContact CE1-CB 3.99Å; F192-L205 HydrophobicContact CE2-CB 4.29Å; F192-L205 HydrophobicContact CE2-CD1 3.68Å; F192-L205 HydrophobicContact CZ-CB 4Å; F192-L205 HydrophobicContact CZ-CD1 3.7Å; F192-L205 HydrophobicContact CZ-CG 4.49Å; F192-L205 PolarHBondContact N-O 3.15Å; F192-L205 PolarHBondContact O-N 3.3Å; I194-L205 HydrophobicContact CD1-CD1 3.97Å; I194-L205 HydrophobicContact CG1-CD1 4.46Å; L203-L205 HydrophobicContact CD1-CD2 3.67Å; L203-L205 HydrophobicContact CD1-CG 4.12Å; L203-L205 HydrophobicContact CD2-CD1 4.42Å; L203-L205 HydrophobicContact CG-CD1 4.15Å; L203-L205 HydrophobicContact CG-CD2 4.05Å; L203-L205 HydrophobicContact CG-CG 4Å
206	V	90.9	Very high	84.1	Confident	8 Å²	8	44.3 Å²	44.3	5%	0.048	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.5	171.9	-174.9	0	0	0	0	109.3	K124 V126 F177 I186 C190 A191	K124-V206 HydrophobicContact CB-CB 4.2Å; K124-V206 WeakPolarHBondContact CB-O 3.3Å; K124-V206 PolarHBondContact N-O 2.8Å; K124-V206 PolarHBondContact O-N 3.13Å; V126-V206 HydrophobicContact CG2-CG2 3.9Å; F177-V206 HydrophobicContact CE1-CG2 3.59Å; F177-V206 HydrophobicContact CZ-CG2 3.76Å; I186-V206 HydrophobicContact CD1-CG2 4.3Å; I186-V206 HydrophobicContact CG1-CG2 4.4Å; I186-V206 HydrophobicContact CG2-CB 4.48Å; I186-V206 HydrophobicContact CG2-CG1 3.94Å; I186-V206 HydrophobicContact CG2-CG2 3.62Å; C190-V206 HydrophobicContact CB-CG1 4.03Å; C190-V206 CarbonylContact O-C 3.6Å; C190-V206 WeakPolarHBondContact O-CA 3.32Å; A191-V206 HydrophobicContact CB-CG2 4.28Å
207	A	89.9	Confident	83.9	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.229	C	C	.	.			trans	-75.2	-179.9	176.1	0	0	0	0	0	112.5	L123 K124 C190 T209 V212 A213	L123-A207 HydrophobicContact CD2-CB 3.95Å; K124-A207 PolarHBondContact NZ-O 2.98Å; C190-A207 PolarHBondContact O-N 3.21Å; A207-T209 VanDerWaalsContact CB-O 3.27Å; A207-T209 WeakPolarHBondContact CB-O 3.39Å; A207-V212 HydrophobicContact CB-CB 4.03Å; A207-V212 HydrophobicContact CB-CG1 3.92Å; A207-A213 HydrophobicContact CB-CB 3.97Å
208	N	85.3	Confident	83.8	Confident	84 Å²	84	42.2 Å²	42.2	45%	0.449	22%	0.221	S	C	.	.	S	Bend	trans	-90.8	-24.7	170.2	-74.2	-30.2	0	0	0	112.8	K124	K124-N208 WeakPolarHBondContact CE-OD1 3.48Å; K124-N208 PolarHBondContact NZ-OD1 3.49Å
209	T	80.5	Confident	84.3	Confident	66 Å²	66	33.9 Å²	33.9	41%	0.405	18%	0.182	S	C	.	.	S	Bend	trans	-140.1	161.6	173	61.3	0	0	0	0	110	C190 A207 D211 V212 A213	C190-T209 VanDerWaalsContact SG-C 3.53Å; A207-T209 VanDerWaalsContact CB-O 3.27Å; A207-T209 WeakPolarHBondContact CB-O 3.39Å; T209-D211 VanDerWaalsContact C-N 3.33Å; T209-V212 PolarHBondContact O-N 2.81Å; T209-V212 WeakPolarHBondContact OG1-CG2 3.47Å; T209-V212 PolarHBondContact OG1-N 3.22Å; T209-A213 PolarHBondContact O-N 3.32Å
210	A	75.3	Confident	84.8	Confident	10 Å²	10	27.5 Å²	27.5	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-37.5	174.9	0	0	0	0	0	111.8	D189 V212 A213 N214 D785	D189-A210 HydrophobicContact CB-CB 3.97Å; A210-V212 VanDerWaalsContact C-N 3.31Å; A210-V212 PolarHBondContact O-N 2.8Å; A210-A213 CarbonylContact O-C 3.59Å; A210-A213 WeakPolarHBondContact O-CA 3.42Å; A210-A213 WeakPolarHBondContact O-CB 3.27Å; A210-A213 PolarHBondContact O-N 2.88Å; A210-N214 WeakPolarHBondContact O-CB 3.4Å; A210-N214 PolarHBondContact O-N 3.21Å; A210-N214 PolarHBondContact O-ND2 3.43Å; A210-D785 WeakPolarHBondContact CB-OD2 3.45Å
211	D	77.2	Confident	85.1	Confident	67 Å²	67	27.8 Å²	27.8	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-55.9	-43.3	175.5	-59.6	-60.1	0	0	0	112.7	T209 N214 I215	T209-D211 VanDerWaalsContact C-N 3.33Å; D211-N214 PolarHBondContact O-N 2.61Å; D211-I215 WeakPolarHBondContact O-CB 3.43Å; D211-I215 VanDerWaalsContact O-CG1 3.24Å; D211-I215 WeakPolarHBondContact O-CG1 3.36Å; D211-I215 PolarHBondContact O-N 3Å
212	V	86.3	Confident	84.8	Confident	36 Å²	36	23.4 Å²	23.4	22%	0.218	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-38.7	176.9	172.5	0	0	0	0	110.6	L123 A207 T209 A210 W216	L123-V212 HydrophobicContact CD2-CG1 3.81Å; A207-V212 HydrophobicContact CB-CB 4.03Å; A207-V212 HydrophobicContact CB-CG1 3.92Å; T209-V212 PolarHBondContact O-N 2.81Å; T209-V212 WeakPolarHBondContact OG1-CG2 3.47Å; T209-V212 PolarHBondContact OG1-N 3.22Å; A210-V212 VanDerWaalsContact C-N 3.31Å; A210-V212 PolarHBondContact O-N 2.8Å; V212-W216 PolarHBondContact O-N 3.22Å; V212-W216 VanDerWaalsContact O-N 3.14Å
213	A	85.7	Confident	84.4	Confident	2 Å²	2	21.8 Å²	21.8	2%	0.017	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-45	172.4	0	0	0	0	0	111.5	D189 F192 A207 T209 A210 W216 V217	D189-A213 WeakPolarHBondContact O-CB 3.37Å; F192-A213 HydrophobicContact CD1-CB 4.05Å; F192-A213 HydrophobicContact CE1-CB 4.42Å; A207-A213 HydrophobicContact CB-CB 3.97Å; T209-A213 PolarHBondContact O-N 3.32Å; A210-A213 CarbonylContact O-C 3.59Å; A210-A213 WeakPolarHBondContact O-CA 3.42Å; A210-A213 WeakPolarHBondContact O-CB 3.27Å; A210-A213 PolarHBondContact O-N 2.88Å; A213-W216 PolarHBondContact O-N 2.93Å; A213-V217 WeakPolarHBondContact O-CB 3.34Å; A213-V217 WeakPolarHBondContact O-CG2 3.49Å; A213-V217 PolarHBondContact O-N 2.96Å
214	N	80.6	Confident	83.6	Confident	45 Å²	45	24.6 Å²	24.6	24%	0.241	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-41	179.4	-72.1	-32.1	0	0	0	112.7	A210 D211 T218 F320	A210-N214 WeakPolarHBondContact O-CB 3.4Å; A210-N214 PolarHBondContact O-N 3.21Å; A210-N214 PolarHBondContact O-ND2 3.43Å; D211-N214 PolarHBondContact O-N 2.61Å; N214-T218 WeakPolarHBondContact O-CB 3.47Å; N214-T218 PolarHBondContact O-N 3.42Å; N214-T218 PolarHBondContact O-OG1 3.14Å; N214-F320 HydrophobicContact CB-CD1 4.2Å; N214-F320 HydrophobicContact CB-CD2 3.9Å; N214-F320 HydrophobicContact CB-CE1 4.23Å; N214-F320 HydrophobicContact CB-CE2 3.93Å; N214-F320 HydrophobicContact CB-CG 4.05Å; N214-F320 HydrophobicContact CB-CZ 4.1Å
215	I	85.1	Confident	82.6	Confident	21 Å²	21	28 Å²	28	11%	0.108	16%	0.155	C	C	.	.	H	α-helix	trans	-56	-54	171.8	-75.8	164.5	0	0	0	110.4	I107 C113 A116 M117 D211 T218 G219 F320	I107-I215 HydrophobicContact CD1-CD1 4Å; I107-I215 HydrophobicContact CD1-CG1 4.18Å; I107-I215 HydrophobicContact CG1-CD1 3.85Å; I107-I215 HydrophobicContact CG1-CG1 3.97Å; C113-I215 HydrophobicContact CB-CG2 4.3Å; A116-I215 HydrophobicContact CB-CG2 3.91Å; M117-I215 HydrophobicContact CG-CG2 4.44Å; D211-I215 WeakPolarHBondContact O-CB 3.43Å; D211-I215 VanDerWaalsContact O-CG1 3.24Å; D211-I215 WeakPolarHBondContact O-CG1 3.36Å; D211-I215 PolarHBondContact O-N 3Å; I215-T218 PolarHBondContact O-N 2.94Å; I215-G219 PolarHBondContact O-N 2.63Å; I215-F320 HydrophobicContact CG1-CZ 4Å
216	W	89.5	Confident	81.4	Confident	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-43.8	-177.4	-86	87	0	0	0	112.3	M117 S121 L123 F137 L146 F192 V212 A213 L220	M117-W216 HydrophobicContact CB-CH2 4.2Å; M117-W216 HydrophobicContact CB-CZ2 4.32Å; M117-W216 HydrophobicContact CB-CZ3 4.35Å; M117-W216 HydrophobicContact CE-CE3 3.82Å; M117-W216 HydrophobicContact CE-CZ3 3.8Å; M117-W216 HydrophobicContact CG-CD2 3.8Å; M117-W216 HydrophobicContact CG-CE3 3.86Å; M117-W216 HydrophobicContact CG-CG 4.26Å; M117-W216 HydrophobicContact CG-CH2 4.25Å; M117-W216 HydrophobicContact CG-CZ2 4.2Å; M117-W216 HydrophobicContact CG-CZ3 4.07Å; M117-W216 HydrophobicContact SD-CD2 4.49Å; M117-W216 HydrophobicContact SD-CE3 4.18Å; S121-W216 VanDerWaalsContact CB-NE1 3.29Å; S121-W216 PolarHBondContact OG-NE1 3.02Å; L123-W216 HydrophobicContact CD1-CD2 4.22Å; L123-W216 HydrophobicContact CD1-CG 4.42Å; F137-W216 HydrophobicContact CB-CH2 3.92Å; F137-W216 HydrophobicContact CB-CZ2 4.03Å; L146-W216 HydrophobicContact CD1-CH2 3.82Å; L146-W216 HydrophobicContact CD1-CZ3 3.48Å; L146-W216 VanDerWaalsContact CD1-CZ3 3.48Å; F192-W216 HydrophobicContact CE1-CB 4.21Å; F192-W216 HydrophobicContact CE2-CB 4.12Å; F192-W216 HydrophobicContact CZ-CB 3.62Å; F192-W216 HydrophobicContact CZ-CG 4.16Å; V212-W216 PolarHBondContact O-N 3.22Å; V212-W216 VanDerWaalsContact O-N 3.14Å; A213-W216 PolarHBondContact O-N 2.93Å; W216-L220 HydrophobicContact CE3-CD1 4.32Å; W216-L220 VanDerWaalsContact O-CB 3.24Å; W216-L220 WeakPolarHBondContact O-CB 3.44Å; W216-L220 WeakPolarHBondContact O-CD1 3.44Å; W216-L220 WeakPolarHBondContact O-CG 3.48Å; W216-L220 PolarHBondContact O-N 3.06Å
217	V	84.6	Confident	80.1	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-43.4	176.2	168.9	0	0	0	0	111.1	V168 T170 F192 A213 R221	V168-V217 HydrophobicContact CG1-CB 4.45Å; V168-V217 HydrophobicContact CG1-CG1 4.35Å; V168-V217 HydrophobicContact CG1-CG2 3.95Å; T170-V217 HydrophobicContact CG2-CG1 3.88Å; T170-V217 HydrophobicContact CG2-CG2 4.06Å; F192-V217 HydrophobicContact CB-CG2 3.66Å; F192-V217 HydrophobicContact CD1-CG2 4.4Å; F192-V217 HydrophobicContact CD2-CG2 3.92Å; F192-V217 HydrophobicContact CG-CG2 3.77Å; A213-V217 WeakPolarHBondContact O-CB 3.34Å; A213-V217 WeakPolarHBondContact O-CG2 3.49Å; A213-V217 PolarHBondContact O-N 2.96Å; V217-R221 HydrophobicContact CG1-CG 4.44Å; V217-R221 VanDerWaalsContact CG1-CZ 3.45Å; V217-R221 VanDerWaalsContact O-CB 3.31Å; V217-R221 WeakPolarHBondContact O-CB 3.34Å; V217-R221 VanDerWaalsContact O-CG 3.22Å; V217-R221 WeakPolarHBondContact O-CG 3.37Å; V217-R221 PolarHBondContact O-N 3.02Å
218	T	79.6	Confident	78.3	Confident	14 Å²	14	39.6 Å²	39.6	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-50.9	-178.5	-62.6	0	0	0	0	111.6	N214 I215 L220 R221 Y222 F320 V323	N214-T218 WeakPolarHBondContact O-CB 3.47Å; N214-T218 PolarHBondContact O-N 3.42Å; N214-T218 PolarHBondContact O-OG1 3.14Å; I215-T218 PolarHBondContact O-N 2.94Å; T218-L220 PolarHBondContact O-N 3.36Å; T218-R221 PolarHBondContact O-N 3.04Å; T218-Y222 PolarHBondContact O-N 3.25Å; T218-F320 HydrophobicContact CG2-CD1 4.43Å; T218-F320 HydrophobicContact CG2-CE1 4.46Å; T218-F320 WeakPolarHBondContact OG1-CD1 3.41Å; T218-V323 HydrophobicContact CG2-CG1 3.7Å
219	G	84.1	Confident	76.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-41	178.8	0	0	0	0	0	112.5	M117 I215 Y222 L223	M117-G219 VanDerWaalsContact SD-CA 3.59Å; I215-G219 PolarHBondContact O-N 2.63Å; G219-Y222 PolarHBondContact O-N 3.21Å; G219-L223 WeakPolarHBondContact O-CB 3.47Å; G219-L223 WeakPolarHBondContact O-CD1 3.38Å; G219-L223 VanDerWaalsContact O-CG 3.23Å; G219-L223 WeakPolarHBondContact O-CG 3.3Å; G219-L223 PolarHBondContact O-N 3.03Å
220	L	85.5	Confident	75.7	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-42.2	173.9	-70.6	170	0	0	0	112.6	M117 I165 V168 F192 I194 W216 T218 Y222 L223 I224	M117-L220 HydrophobicContact CE-CD2 3.71Å; M117-L220 HydrophobicContact CE-CG 3.71Å; I165-L220 HydrophobicContact CD1-CD2 4.16Å; V168-L220 HydrophobicContact CG2-CB 3.86Å; V168-L220 HydrophobicContact CG2-CD1 4.28Å; F192-L220 HydrophobicContact CE2-CD1 4.25Å; I194-L220 HydrophobicContact CD1-CD1 3.51Å; I194-L220 HydrophobicContact CG1-CD1 3.87Å; W216-L220 HydrophobicContact CE3-CD1 4.32Å; W216-L220 VanDerWaalsContact O-CB 3.24Å; W216-L220 WeakPolarHBondContact O-CB 3.44Å; W216-L220 WeakPolarHBondContact O-CD1 3.44Å; W216-L220 WeakPolarHBondContact O-CG 3.48Å; W216-L220 PolarHBondContact O-N 3.06Å; T218-L220 PolarHBondContact O-N 3.36Å; L220-Y222 PolarHBondContact O-N 3.38Å; L220-L223 PolarHBondContact O-N 3.32Å; L220-I224 WeakPolarHBondContact O-CD1 3.33Å; L220-I224 VanDerWaalsContact O-CG1 3.23Å; L220-I224 WeakPolarHBondContact O-CG1 3.24Å; L220-I224 PolarHBondContact O-N 2.71Å
221	R	79.9	Confident	74.7	Confident	72 Å²	72	42.3 Å²	42.3	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-43.5	175.7	-77.6	174	179.4	173.2	1.7	111.4	V168 V217 T218 I224 S225	V168-R221 HydrophobicContact CB-CG 4.45Å; V168-R221 PolarHBondContact O-NE 2.81Å; V168-R221 PolarHBondContact O-NH2 2.75Å; V217-R221 HydrophobicContact CG1-CG 4.44Å; V217-R221 VanDerWaalsContact CG1-CZ 3.45Å; V217-R221 VanDerWaalsContact O-CB 3.31Å; V217-R221 WeakPolarHBondContact O-CB 3.34Å; V217-R221 VanDerWaalsContact O-CG 3.22Å; V217-R221 WeakPolarHBondContact O-CG 3.37Å; V217-R221 PolarHBondContact O-N 3.02Å; T218-R221 PolarHBondContact O-N 3.04Å; R221-I224 PolarHBondContact O-N 3.04Å; R221-S225 PolarHBondContact O-N 2.93Å; R221-S225 PolarHBondContact O-OG 3.45Å
222	Y	76.9	Confident	73.6	Confident	16 Å²	16	44 Å²	44	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-45.4	175.4	-170.3	-106	0	0	0	112.4	V110 T218 G219 L220 I224 S225 Y226 T230 I234 K329	V110-Y222 HydrophobicContact CB-CD2 4.44Å; V110-Y222 HydrophobicContact CB-CE2 4.48Å; V110-Y222 HydrophobicContact CG1-CD1 3.66Å; V110-Y222 HydrophobicContact CG1-CD2 3.77Å; V110-Y222 HydrophobicContact CG1-CE1 4.1Å; V110-Y222 HydrophobicContact CG1-CE2 4.2Å; V110-Y222 HydrophobicContact CG1-CG 3.48Å; V110-Y222 VanDerWaalsContact CG1-CG 3.48Å; V110-Y222 HydrophobicContact CG2-CD2 4.32Å; V110-Y222 HydrophobicContact CG2-CE2 4.39Å; T218-Y222 PolarHBondContact O-N 3.25Å; G219-Y222 PolarHBondContact O-N 3.21Å; L220-Y222 PolarHBondContact O-N 3.38Å; Y222-I224 VanDerWaalsContact C-N 3.3Å; Y222-I224 PolarHBondContact O-N 3.46Å; Y222-S225 PolarHBondContact O-N 2.9Å; Y222-S225 VanDerWaalsContact O-N 3.14Å; Y222-Y226 HydrophobicContact CD1-CD2 4.29Å; Y222-Y226 AromaticContact CD2-CD2 3.5Å; Y222-Y226 HydrophobicContact CD2-CD2 3.5Å; Y222-Y226 AromaticContact CD2-CE2 3.52Å; Y222-Y226 HydrophobicContact CD2-CE2 3.52Å; Y222-Y226 HydrophobicContact CE1-CD2 4.24Å; Y222-Y226 AromaticContact CE2-CD2 3.44Å; Y222-Y226 HydrophobicContact CE2-CD2 3.44Å; Y222-Y226 VanDerWaalsContact CE2-CD2 3.44Å; Y222-Y226 AromaticContact CE2-CE2 3.33Å; Y222-Y226 HydrophobicContact CE2-CE2 3.33Å; Y222-Y226 HydrophobicContact CE2-CG 4.44Å; Y222-Y226 AromaticContact CG-CD2 3.95Å; Y222-Y226 HydrophobicContact CG-CD2 3.95Å; Y222-Y226 HydrophobicContact CG-CE2 4.4Å; Y222-Y226 AromaticContact CZ-CD2 3.83Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.43Å; Y222-Y226 PolarHBondContact O-N 3.26Å; Y222-T230 HydrophobicContact CD1-CG2 4.13Å; Y222-T230 HydrophobicContact CE1-CG2 3.92Å; Y222-I234 HydrophobicContact CE1-CD1 4.3Å; Y222-I234 HydrophobicContact CE1-CG1 4.1Å; Y222-K329 HydrophobicContact CD2-CB 4.47Å; Y222-K329 HydrophobicContact CD2-CG 3.94Å; Y222-K329 HydrophobicContact CE2-CB 4.49Å; Y222-K329 HydrophobicContact CE2-CG 4.34Å
223	L	79.5	Confident	72	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-35.5	176.9	-73.7	166.4	0	0	0	113.1	I114 M117 L139 M143 V162 G219 L220 G227 T230	I114-L223 HydrophobicContact CD1-CD1 3.87Å; I114-L223 HydrophobicContact CD1-CD2 4.23Å; I114-L223 HydrophobicContact CD1-CG 3.78Å; M117-L223 HydrophobicContact CE-CD1 3.98Å; L139-L223 HydrophobicContact CD1-CD1 3.87Å; L139-L223 HydrophobicContact CD2-CD1 3.74Å; L139-L223 HydrophobicContact CG-CD1 4.5Å; M143-L223 HydrophobicContact CB-CD2 3.85Å; M143-L223 HydrophobicContact SD-CD2 4.45Å; V162-L223 HydrophobicContact CG1-CB 3.89Å; G219-L223 WeakPolarHBondContact O-CB 3.47Å; G219-L223 WeakPolarHBondContact O-CD1 3.38Å; G219-L223 VanDerWaalsContact O-CG 3.23Å; G219-L223 WeakPolarHBondContact O-CG 3.3Å; G219-L223 PolarHBondContact O-N 3.03Å; L220-L223 PolarHBondContact O-N 3.32Å; L223-G227 VanDerWaalsContact O-CA 3.31Å; L223-G227 WeakPolarHBondContact O-CA 3.24Å; L223-G227 PolarHBondContact O-N 3.49Å; L223-T230 HydrophobicContact CD2-CG2 3.89Å
224	I	76	Confident	70.6	Confident	62 Å²	62	47.7 Å²	47.7	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-67.9	-42.6	173.9	-66.4	159.4	0	0	0	110.7	I165 V168 L220 R221 Y222	I165-I224 HydrophobicContact CB-CD1 4.25Å; I165-I224 HydrophobicContact CB-CG1 4.28Å; I165-I224 HydrophobicContact CG2-CD1 3.57Å; I165-I224 HydrophobicContact CG2-CG1 4.15Å; V168-I224 HydrophobicContact CG2-CD1 3.84Å; L220-I224 WeakPolarHBondContact O-CD1 3.33Å; L220-I224 VanDerWaalsContact O-CG1 3.23Å; L220-I224 WeakPolarHBondContact O-CG1 3.24Å; L220-I224 PolarHBondContact O-N 2.71Å; R221-I224 PolarHBondContact O-N 3.04Å; Y222-I224 VanDerWaalsContact C-N 3.3Å; Y222-I224 PolarHBondContact O-N 3.46Å
225	S	69.4	Low	69.1	Low	76 Å²	76	52.1 Å²	52.1	53%	0.531	26%	0.263	S	S	.	.	H	α-helix	trans	-68.3	-38.8	-179.9	-64.4	0	0	0	0	114.1	R221 Y222	R221-S225 PolarHBondContact O-N 2.93Å; R221-S225 PolarHBondContact O-OG 3.45Å; Y222-S225 PolarHBondContact O-N 2.9Å; Y222-S225 VanDerWaalsContact O-N 3.14Å
226	Y	66.8	Low	67.4	Low	54 Å²	54	54.1 Å²	54.1	21%	0.212	28%	0.279	C	S	.	.	H	α-helix	trans	-111	-17.9	-170.6	-67.2	-77.7	0	0	0	115.3	Y222 K228 H229 M233 N328	Y222-Y226 HydrophobicContact CD1-CD2 4.29Å; Y222-Y226 AromaticContact CD2-CD2 3.5Å; Y222-Y226 HydrophobicContact CD2-CD2 3.5Å; Y222-Y226 AromaticContact CD2-CE2 3.52Å; Y222-Y226 HydrophobicContact CD2-CE2 3.52Å; Y222-Y226 HydrophobicContact CE1-CD2 4.24Å; Y222-Y226 AromaticContact CE2-CD2 3.44Å; Y222-Y226 HydrophobicContact CE2-CD2 3.44Å; Y222-Y226 VanDerWaalsContact CE2-CD2 3.44Å; Y222-Y226 AromaticContact CE2-CE2 3.33Å; Y222-Y226 HydrophobicContact CE2-CE2 3.33Å; Y222-Y226 HydrophobicContact CE2-CG 4.44Å; Y222-Y226 AromaticContact CG-CD2 3.95Å; Y222-Y226 HydrophobicContact CG-CD2 3.95Å; Y222-Y226 HydrophobicContact CG-CE2 4.4Å; Y222-Y226 AromaticContact CZ-CD2 3.83Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.43Å; Y222-Y226 PolarHBondContact O-N 3.26Å; Y226-K228 PolarHBondContact O-N 2.92Å; Y226-H229 PolarHBondContact O-N 3.27Å; Y226-M233 HydrophobicContact CD1-CG 4.04Å; Y226-M233 HydrophobicContact CE1-CG 4.36Å; Y226-M233 HydrophobicContact CE1-SD 4.34Å; Y226-N328 VanDerWaalsContact OH-CA 3.32Å; Y226-N328 WeakPolarHBondContact OH-CA 3.34Å; Y226-N328 PolarHBondContact OH-O 2.93Å
227	G	64.5	Low	65.5	Low	33 Å²	33	55.1 Å²	55.1	34%	0.34	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	49.8	-119.3	172.5	0	0	0	0	0	113.9	L223 H229 T230	L223-G227 VanDerWaalsContact O-CA 3.31Å; L223-G227 WeakPolarHBondContact O-CA 3.24Å; L223-G227 PolarHBondContact O-N 3.49Å; G227-H229 VanDerWaalsContact C-N 3.26Å; G227-H229 PolarHBondContact O-N 3Å; G227-T230 PolarHBondContact O-N 3.18Å; G227-T230 PolarHBondContact O-OG1 2.82Å
228	K	51.5	Low	63.9	Low	165 Å²	165	61.8 Å²	61.8	72%	0.717	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-69.8	-15.1	-177.8	-73	-171.7	176.9	-177.2	0	114.9	Y226	Y226-K228 PolarHBondContact O-N 2.92Å
229	H	54.3	Low	62.6	Low	125 Å²	125	68.6 Å²	68.6	58%	0.579	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-95.2	2.8	-177.8	-63.9	-73.1	0	0	0	113.6	Y226 G227 L231 N232 M233	Y226-H229 PolarHBondContact O-N 3.27Å; G227-H229 VanDerWaalsContact C-N 3.26Å; G227-H229 PolarHBondContact O-N 3Å; H229-L231 PolarHBondContact O-N 2.92Å; H229-N232 PolarHBondContact O-N 3.26Å; H229-M233 PolarHBondContact O-N 3.46Å
230	T	57.2	Low	61.9	Low	2 Å²	2	69.7 Å²	69.7	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-50.4	-47.2	-178.5	-58.4	0	0	0	0	113.4	M143 Y222 L223 G227 M233 I234	M143-T230 HydrophobicContact SD-CG2 3.64Å; Y222-T230 HydrophobicContact CD1-CG2 4.13Å; Y222-T230 HydrophobicContact CE1-CG2 3.92Å; L223-T230 HydrophobicContact CD2-CG2 3.89Å; G227-T230 PolarHBondContact O-N 3.18Å; G227-T230 PolarHBondContact O-OG1 2.82Å; T230-M233 PolarHBondContact O-N 2.78Å; T230-I234 HydrophobicContact CG2-CD1 3.82Å; T230-I234 VanDerWaalsContact O-CG1 3.29Å; T230-I234 WeakPolarHBondContact O-CG1 3.44Å; T230-I234 PolarHBondContact O-N 3.18Å
231	L	55.2	Low	61.5	Low	91 Å²	91	70.5 Å²	70.5	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-52.9	178.4	-104.7	89.4	0	0	0	112	M143 H229 M233 I234 E235	M143-L231 HydrophobicContact CE-CD1 3.74Å; M143-L231 HydrophobicContact CE-CG 4.49Å; M143-L231 HydrophobicContact SD-CD1 3.86Å; H229-L231 PolarHBondContact O-N 2.92Å; L231-M233 VanDerWaalsContact C-N 3.27Å; L231-M233 PolarHBondContact O-N 3.06Å; L231-I234 PolarHBondContact O-N 3.1Å; L231-I234 VanDerWaalsContact O-N 3.13Å; L231-E235 PolarHBondContact O-N 3.35Å
232	N	52.5	Low	61.7	Low	101 Å²	101	68.1 Å²	68.1	54%	0.54	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-36.1	-176.8	-59.6	42.2	0	0	0	112.1	H229 S236	H229-N232 PolarHBondContact O-N 3.26Å; N232-S236 PolarHBondContact O-N 2.89Å; N232-S236 PolarHBondContact O-OG 3.36Å
233	M	53.3	Low	61.8	Low	81 Å²	81	68.8 Å²	68.8	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-69.4	-41.4	175.4	-76.5	-77.1	99.7	0	0	112.1	Y226 H229 T230 L231 E235 S236 S237	Y226-M233 HydrophobicContact CD1-CG 4.04Å; Y226-M233 HydrophobicContact CE1-CG 4.36Å; Y226-M233 HydrophobicContact CE1-SD 4.34Å; H229-M233 PolarHBondContact O-N 3.46Å; T230-M233 PolarHBondContact O-N 2.78Å; L231-M233 VanDerWaalsContact C-N 3.27Å; L231-M233 PolarHBondContact O-N 3.06Å; M233-E235 VanDerWaalsContact C-N 3.33Å; M233-E235 PolarHBondContact O-N 3.15Å; M233-S236 WeakPolarHBondContact CA-OG 3.39Å; M233-S236 WeakPolarHBondContact CE-OG 3.33Å; M233-S236 PolarHBondContact O-N 2.83Å; M233-S236 PolarHBondContact O-OG 2.8Å; M233-S237 WeakPolarHBondContact O-CB 3.39Å; M233-S237 PolarHBondContact O-N 3.03Å
234	I	56.7	Low	62	Low	36 Å²	36	71 Å²	71	19%	0.185	38%	0.377	C	S	.	.	H	α-helix	trans	-61.2	-42.2	174.3	-70.6	169.2	0	0	0	110.7	Y222 T230 L231 S237	Y222-I234 HydrophobicContact CE1-CD1 4.3Å; Y222-I234 HydrophobicContact CE1-CG1 4.1Å; T230-I234 HydrophobicContact CG2-CD1 3.82Å; T230-I234 VanDerWaalsContact O-CG1 3.29Å; T230-I234 WeakPolarHBondContact O-CG1 3.44Å; T230-I234 PolarHBondContact O-N 3.18Å; L231-I234 PolarHBondContact O-N 3.1Å; L231-I234 VanDerWaalsContact O-N 3.13Å; I234-S237 PolarHBondContact O-N 2.9Å; I234-S237 PolarHBondContact O-OG 2.71Å
235	E	50.1	Low	62.6	Low	138 Å²	138	69.2 Å²	69.2	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-63.6	-42.7	174.2	-70.7	-175.7	143	0	0	112.7	L231 M233 S237	L231-E235 PolarHBondContact O-N 3.35Å; M233-E235 VanDerWaalsContact C-N 3.33Å; M233-E235 PolarHBondContact O-N 3.15Å; E235-S237 VanDerWaalsContact C-N 3.31Å; E235-S237 PolarHBondContact O-N 3.26Å
236	S	49.4	Very low	63.5	Low	62 Å²	62	65.7 Å²	65.7	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-27.9	177.6	56.8	0	0	0	0	113.8	N232 M233 Q238 N239	N232-S236 PolarHBondContact O-N 2.89Å; N232-S236 PolarHBondContact O-OG 3.36Å; M233-S236 WeakPolarHBondContact CA-OG 3.39Å; M233-S236 WeakPolarHBondContact CE-OG 3.33Å; M233-S236 PolarHBondContact O-N 2.83Å; M233-S236 PolarHBondContact O-OG 2.8Å; S236-Q238 PolarHBondContact O-N 3.23Å; S236-N239 PolarHBondContact O-N 2.86Å; S236-N239 VanDerWaalsContact O-N 3.16Å
237	S	49	Very low	64.4	Low	23 Å²	23	64.6 Å²	64.6	16%	0.161	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-64.2	-4.8	-176.7	74.4	0	0	0	0	115.1	M233 I234 E235 N239 N240 E330	M233-S237 WeakPolarHBondContact O-CB 3.39Å; M233-S237 PolarHBondContact O-N 3.03Å; I234-S237 PolarHBondContact O-N 2.9Å; I234-S237 PolarHBondContact O-OG 2.71Å; E235-S237 VanDerWaalsContact C-N 3.31Å; E235-S237 PolarHBondContact O-N 3.26Å; S237-N239 VanDerWaalsContact C-N 3.34Å; S237-N240 PolarHBondContact O-ND2 2.9Å; S237-E330 WeakPolarHBondContact CA-OE1 3.5Å; S237-E330 WeakPolarHBondContact CB-OE1 3.42Å
238	Q	49.8	Very low	65.4	Low	143 Å²	143	66.6 Å²	66.6	67%	0.668	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-65.8	-36.6	170.9	-62.5	-166.9	-0.2	0	0	112.1	S236 N240 S243	S236-Q238 PolarHBondContact O-N 3.23Å; Q238-N240 VanDerWaalsContact C-N 3.34Å; Q238-N240 PolarHBondContact O-N 2.77Å; Q238-S243 WeakPolarHBondContact O-CB 3.39Å; Q238-S243 PolarHBondContact O-OG 2.87Å
239	N	53.6	Low	67.2	Low	158 Å²	158	60 Å²	60	85%	0.845	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-94.3	47.5	179.9	-71	-15.5	0	0	0	112.4	S236 S237	S236-N239 PolarHBondContact O-N 2.86Å; S236-N239 VanDerWaalsContact O-N 3.16Å; S237-N239 VanDerWaalsContact C-N 3.34Å
240	N	69.4	Low	68.8	Low	23 Å²	23	54 Å²	54	12%	0.123	29%	0.289	C	S	.	.			trans	-83.7	166.2	178.6	68.4	61.2	0	0	0	112.9	S237 Q238 R242 S243 S244	S237-N240 PolarHBondContact O-ND2 2.9Å; Q238-N240 VanDerWaalsContact C-N 3.34Å; Q238-N240 PolarHBondContact O-N 2.77Å; N240-R242 PolarHBondContact O-N 3.41Å; N240-R242 WeakPolarHBondContact OD1-CA 3.18Å; N240-R242 VanDerWaalsContact OD1-CB 3.24Å; N240-R242 WeakPolarHBondContact OD1-CB 3.49Å; N240-R242 PolarHBondContact OD1-N 3.22Å; N240-S243 PolarHBondContact ND2-OG 2.67Å; N240-S243 WeakPolarHBondContact O-CB 3.43Å; N240-S243 PolarHBondContact O-N 3.1Å; N240-S243 VanDerWaalsContact O-N 3.12Å; N240-S243 PolarHBondContact OD1-N 3.29Å; N240-S243 PolarHBondContact OD1-OG 3.4Å; N240-S244 PolarHBondContact O-N 3.25Å; N240-S244 VanDerWaalsContact O-N 3.09Å
241	L	77.2	Confident	70.3	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-52.8	-38.1	-178.9	-176	67.1	0	0	0	113.5	S244 W245 S365 E367	L241-S244 PolarHBondContact O-N 3.23Å; L241-W245 WeakPolarHBondContact O-CB 3.06Å; L241-W245 PolarHBondContact O-N 3.04Å; L241-S365 WeakPolarHBondContact CD1-OG 3.45Å; L241-E367 HydrophobicContact CD1-CB 3.92Å; L241-E367 HydrophobicContact CD1-CG 4.04Å
242	R	82.6	Confident	71.7	Confident	22 Å²	22	58.8 Å²	58.8	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-43.6	179.7	-172.6	-179.6	-157	-159.4	1	111.5	N240 S244 W245 L246 H310 T314 D377	N240-R242 PolarHBondContact O-N 3.41Å; N240-R242 WeakPolarHBondContact OD1-CA 3.18Å; N240-R242 VanDerWaalsContact OD1-CB 3.24Å; N240-R242 WeakPolarHBondContact OD1-CB 3.49Å; N240-R242 PolarHBondContact OD1-N 3.22Å; R242-S244 VanDerWaalsContact C-N 3.32Å; R242-S244 PolarHBondContact O-N 3.39Å; R242-W245 PolarHBondContact O-N 2.86Å; R242-L246 HydrophobicContact CG-CD1 4.24Å; R242-L246 WeakPolarHBondContact O-CB 3.31Å; R242-L246 WeakPolarHBondContact O-CG 3.36Å; R242-L246 PolarHBondContact O-N 3.47Å; R242-H310 PolarHBondContact NH1-CD2 3.37Å; R242-T314 PolarHBondContact NH1-OG1 3.49Å; R242-T314 PolarHBondContact NH2-OG1 3.3Å; R242-D377 WeakPolarHBondContact CD-OD2 3.37Å; R242-D377 VanDerWaalsContact CG-OD2 3.3Å; R242-D377 WeakPolarHBondContact CG-OD2 3.03Å; R242-D377 IonicContact CZ-OD1 3.56Å; R242-D377 IonicContact CZ-OD2 2.59Å; R242-D377 IonicContact NE-OD1 2.81Å; R242-D377 PolarHBondContact NE-OD1 3.48Å; R242-D377 IonicContact NE-OD2 2.89Å; R242-D377 PolarHBondContact NE-OD2 2.86Å; R242-D377 IonicContact NH2-OD1 3.82Å; R242-D377 PolarHBondContact NH2-OD1 3.48Å; R242-D377 IonicContact NH2-OD2 3.2Å
243	S	80.4	Confident	73.3	Confident	29 Å²	29	57.9 Å²	57.9	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-40.9	173.4	-62.2	0	0	0	0	111.6	Q238 N240 S247	Q238-S243 WeakPolarHBondContact O-CB 3.39Å; Q238-S243 PolarHBondContact O-OG 2.87Å; N240-S243 PolarHBondContact ND2-OG 2.67Å; N240-S243 WeakPolarHBondContact O-CB 3.43Å; N240-S243 PolarHBondContact O-N 3.1Å; N240-S243 VanDerWaalsContact O-N 3.12Å; N240-S243 PolarHBondContact OD1-N 3.29Å; N240-S243 PolarHBondContact OD1-OG 3.4Å; S243-S247 VanDerWaalsContact O-CB 3.25Å; S243-S247 WeakPolarHBondContact O-CB 3.47Å; S243-S247 PolarHBondContact O-N 3.07Å
244	S	82.9	Confident	74.8	Confident	49 Å²	49	54.3 Å²	54.3	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-68.2	-43.7	177.8	-158.4	0	0	0	0	112.2	N240 L241 R242 S247 D248	N240-S244 PolarHBondContact O-N 3.25Å; N240-S244 VanDerWaalsContact O-N 3.09Å; L241-S244 PolarHBondContact O-N 3.23Å; R242-S244 VanDerWaalsContact C-N 3.32Å; R242-S244 PolarHBondContact O-N 3.39Å; S244-S247 WeakPolarHBondContact O-CA 3.23Å; S244-S247 WeakPolarHBondContact O-CB 3.46Å; S244-S247 PolarHBondContact O-N 3.3Å; S244-S247 VanDerWaalsContact O-N 3.1Å; S244-D248 VanDerWaalsContact O-CG 3.23Å; S244-D248 PolarHBondContact O-N 3.12Å
245	W	88.3	Confident	75.6	Confident	24 Å²	24	58.2 Å²	58.2	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-44	177.3	165.6	64.8	0	0	0	113.1	L241 R242 S247 D248 L249 L273 F309 P364 D377	L241-W245 WeakPolarHBondContact O-CB 3.06Å; L241-W245 PolarHBondContact O-N 3.04Å; R242-W245 PolarHBondContact O-N 2.86Å; W245-S247 PolarHBondContact O-N 3.41Å; W245-D248 PolarHBondContact O-N 3.3Å; W245-L249 HydrophobicContact CD2-CD1 4.18Å; W245-L249 VanDerWaalsContact CE2-CD1 3.4Å; W245-L249 HydrophobicContact CH2-CD1 4.25Å; W245-L249 HydrophobicContact CZ2-CD1 3.46Å; W245-L249 VanDerWaalsContact CZ2-CD1 3.46Å; W245-L249 PolarHBondContact O-N 3.14Å; W245-L249 VanDerWaalsContact O-N 3.07Å; W245-L273 HydrophobicContact CH2-CD1 4.3Å; W245-L273 HydrophobicContact CH2-CD2 4.18Å; W245-L273 HydrophobicContact CZ2-CD2 3.87Å; W245-F309 AromaticContact CH2-CZ 3.97Å; W245-F309 HydrophobicContact CH2-CZ 3.97Å; W245-F309 HydrophobicContact CZ3-CE1 4.03Å; W245-F309 AromaticContact CZ3-CZ 3.93Å; W245-F309 HydrophobicContact CZ3-CZ 3.93Å; W245-P364 HydrophobicContact CD2-CB 4.38Å; W245-P364 HydrophobicContact CD2-CG 4.1Å; W245-P364 HydrophobicContact CE3-CG 4.44Å; W245-P364 HydrophobicContact CH2-CB 4.47Å; W245-P364 HydrophobicContact CH2-CG 4.16Å; W245-P364 HydrophobicContact CZ2-CB 3.65Å; W245-P364 HydrophobicContact CZ2-CG 3.78Å; W245-P364 HydrophobicContact CZ3-CG 4.47Å; W245-D377 HydrophobicContact CH2-CB 4.27Å; W245-D377 HydrophobicContact CZ3-CB 4.04Å; W245-D377 WeakPolarHBondContact CZ3-OD2 3.3Å
246	L	87.9	Confident	76.8	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-30.1	172.7	-68.4	169.9	0	0	0	112	R242 F250 F305 F309	R242-L246 HydrophobicContact CG-CD1 4.24Å; R242-L246 WeakPolarHBondContact O-CB 3.31Å; R242-L246 WeakPolarHBondContact O-CG 3.36Å; R242-L246 PolarHBondContact O-N 3.47Å; L246-F250 WeakPolarHBondContact O-CB 3.44Å; L246-F250 PolarHBondContact O-N 3.21Å; L246-F305 HydrophobicContact CB-CE1 4.44Å; L246-F305 HydrophobicContact CD2-CE1 3.98Å; L246-F309 HydrophobicContact CD1-CD1 3.58Å; L246-F309 HydrophobicContact CD1-CE1 4.12Å; L246-F309 HydrophobicContact CD1-CG 4.27Å; L246-F309 HydrophobicContact CD2-CB 4.38Å; L246-F309 HydrophobicContact CD2-CD1 3.56Å; L246-F309 HydrophobicContact CD2-CD2 4.11Å; L246-F309 HydrophobicContact CD2-CE1 3.79Å; L246-F309 HydrophobicContact CD2-CE2 4.31Å; L246-F309 HydrophobicContact CD2-CG 3.73Å; L246-F309 HydrophobicContact CD2-CZ 4.16Å; L246-F309 HydrophobicContact CG-CD1 4.2Å; L246-F309 HydrophobicContact CG-CE1 4.46Å
247	S	86.1	Confident	78.1	Confident	31 Å²	31	61.8 Å²	61.8	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-49	173	148.1	0	0	0	0	111.6	S243 S244 W245 F250 D251 K302	S243-S247 VanDerWaalsContact O-CB 3.25Å; S243-S247 WeakPolarHBondContact O-CB 3.47Å; S243-S247 PolarHBondContact O-N 3.07Å; S244-S247 WeakPolarHBondContact O-CA 3.23Å; S244-S247 WeakPolarHBondContact O-CB 3.46Å; S244-S247 PolarHBondContact O-N 3.3Å; S244-S247 VanDerWaalsContact O-N 3.1Å; W245-S247 PolarHBondContact O-N 3.41Å; S247-F250 PolarHBondContact O-N 3.02Å; S247-D251 PolarHBondContact O-N 3.31Å; S247-D251 VanDerWaalsContact O-N 3.13Å; S247-K302 WeakPolarHBondContact O-CE 3.23Å; S247-K302 PolarHBondContact O-NZ 2.88Å; S247-K302 WeakPolarHBondContact OG-CE 3.38Å; S247-K302 PolarHBondContact OG-NZ 3.11Å
248	D	87.1	Confident	79.4	Confident	76 Å²	76	65.9 Å²	65.9	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-41.1	-177.5	-59.1	-14	0	0	0	111	S244 W245 F250 D251 E252	S244-D248 VanDerWaalsContact O-CG 3.23Å; S244-D248 PolarHBondContact O-N 3.12Å; W245-D248 PolarHBondContact O-N 3.3Å; D248-F250 VanDerWaalsContact C-N 3.31Å; D248-F250 PolarHBondContact O-N 2.91Å; D248-D251 PolarHBondContact O-N 2.91Å; D248-E252 WeakPolarHBondContact O-CG 3.24Å; D248-E252 PolarHBondContact O-N 3.33Å
249	L	87.5	Confident	80.9	Confident	26 Å²	26	67.1 Å²	67.1	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-33.3	174.9	-77.7	178.5	0	0	0	113.8	W245 L269 L273	W245-L249 HydrophobicContact CD2-CD1 4.18Å; W245-L249 VanDerWaalsContact CE2-CD1 3.4Å; W245-L249 HydrophobicContact CH2-CD1 4.25Å; W245-L249 HydrophobicContact CZ2-CD1 3.46Å; W245-L249 VanDerWaalsContact CZ2-CD1 3.46Å; W245-L249 PolarHBondContact O-N 3.14Å; W245-L249 VanDerWaalsContact O-N 3.07Å; L249-L269 HydrophobicContact CB-CD2 4.48Å; L249-L273 HydrophobicContact CD1-CD1 4.01Å; L249-L273 HydrophobicContact CD1-CD2 4.2Å
250	F	89.2	Confident	82.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-70.6	-42.1	175.4	-173.7	-81	0	0	0	110.9	L246 S247 D248 E252 E253 D254 I261 V300 K302 F305	L246-F250 WeakPolarHBondContact O-CB 3.44Å; L246-F250 PolarHBondContact O-N 3.21Å; S247-F250 PolarHBondContact O-N 3.02Å; D248-F250 VanDerWaalsContact C-N 3.31Å; D248-F250 PolarHBondContact O-N 2.91Å; F250-E252 VanDerWaalsContact C-N 3.35Å; F250-E253 PolarHBondContact O-N 2.69Å; F250-D254 HydrophobicContact CE1-CB 4.4Å; F250-D254 PolarHBondContact O-N 2.96Å; F250-I261 HydrophobicContact CD2-CD1 3.82Å; F250-I261 HydrophobicContact CD2-CG1 4.32Å; F250-I261 HydrophobicContact CE1-CG2 4.25Å; F250-I261 HydrophobicContact CE2-CD1 3.61Å; F250-I261 HydrophobicContact CE2-CG1 3.61Å; F250-I261 HydrophobicContact CE2-CG2 4.3Å; F250-I261 HydrophobicContact CZ-CB 4.43Å; F250-I261 HydrophobicContact CZ-CD1 4.34Å; F250-I261 HydrophobicContact CZ-CG1 3.97Å; F250-I261 HydrophobicContact CZ-CG2 4Å; F250-V300 WeakPolarHBondContact CZ-O 3.37Å; F250-K302 HydrophobicContact CB-CG 4.11Å; F250-K302 HydrophobicContact CD1-CB 3.96Å; F250-K302 HydrophobicContact CD1-CD 4.04Å; F250-K302 HydrophobicContact CD1-CG 3.87Å; F250-K302 HydrophobicContact CD2-CB 4.38Å; F250-K302 HydrophobicContact CD2-CG 4.43Å; F250-K302 HydrophobicContact CE1-CB 3.98Å; F250-K302 HydrophobicContact CE1-CG 4.41Å; F250-K302 HydrophobicContact CE2-CB 4.38Å; F250-K302 HydrophobicContact CG-CB 4.17Å; F250-K302 HydrophobicContact CG-CD 4.44Å; F250-K302 HydrophobicContact CG-CG 3.89Å; F250-K302 HydrophobicContact CZ-CB 4.19Å; F250-F305 HydrophobicContact CB-CD1 4.5Å; F250-F305 HydrophobicContact CD2-CB 3.74Å; F250-F305 HydrophobicContact CD2-CD1 4.04Å; F250-F305 AromaticContact CD2-CG 3.87Å; F250-F305 HydrophobicContact CD2-CG 3.87Å; F250-F305 HydrophobicContact CE2-CB 3.91Å; F250-F305 HydrophobicContact CE2-CG 4.45Å
251	D	87.3	Confident	83.3	Confident	78 Å²	78	63.2 Å²	63.2	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-71.6	-27.6	179.4	-66.1	-5.5	0	0	0	112.5	S247 D248 E253 K302	S247-D251 PolarHBondContact O-N 3.31Å; S247-D251 VanDerWaalsContact O-N 3.13Å; D248-D251 PolarHBondContact O-N 2.91Å; D251-E253 VanDerWaalsContact C-N 3.32Å; D251-K302 WeakPolarHBondContact OD1-CE 3.43Å; D251-K302 IonicContact OD1-NZ 2.77Å; D251-K302 PolarHBondContact OD1-NZ 3.37Å; D251-K302 IonicContact OD2-NZ 3.96Å; D251-K302 PolarHBondContact OD2-NZ 3.09Å
252	E	85.8	Confident	83.9	Confident	114 Å²	114	64.9 Å²	64.9	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-66.5	-28.2	171.2	-77.8	-177.2	-177.5	0	0	112.6	D248 F250 K366	D248-E252 WeakPolarHBondContact O-CG 3.24Å; D248-E252 PolarHBondContact O-N 3.33Å; F250-E252 VanDerWaalsContact C-N 3.35Å; E252-K366 IonicContact OE1-NZ 2.69Å; E252-K366 PolarHBondContact OE1-NZ 3.39Å; E252-K366 VanDerWaalsContact OE1-NZ 3.08Å
253	E	85.9	Confident	84.2	Confident	82 Å²	82	64.8 Å²	64.8	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-98.5	-18.6	177.5	-61.6	-86.5	171.2	0	0	113.2	F250 D251 V255 L269 K272	F250-E253 PolarHBondContact O-N 2.69Å; D251-E253 VanDerWaalsContact C-N 3.32Å; E253-V255 PolarHBondContact O-N 3.3Å; E253-L269 HydrophobicContact CG-CD1 4.28Å; E253-L269 HydrophobicContact CG-CD2 4.19Å; E253-K272 IonicContact OE1-NZ 3.08Å
254	D	83.7	Confident	84.6	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.037	36%	0.363	C	S	.	.			trans	-79.3	65.3	169.6	-175.7	17.9	0	0	0	112.1	F250 N256 H257 N258 K259 I261	F250-D254 HydrophobicContact CE1-CB 4.4Å; F250-D254 PolarHBondContact O-N 2.96Å; D254-N256 PolarHBondContact O-N 3.18Å; D254-H257 PolarHBondContact O-N 2.61Å; D254-H257 PolarHBondContact O-ND1 2.77Å; D254-H257 PolarHBondContact OD1-N 3.04Å; D254-H257 VanDerWaalsContact OD2-C 3.25Å; D254-H257 VanDerWaalsContact OD2-CA 3.28Å; D254-H257 WeakPolarHBondContact OD2-CA 3.3Å; D254-N258 PolarHBondContact OD1-N 3.48Å; D254-N258 PolarHBondContact OD2-N 3.15Å; D254-K259 VanDerWaalsContact OD2-CA 3.27Å; D254-K259 WeakPolarHBondContact OD2-CA 3.34Å; D254-K259 PolarHBondContact OD2-N 3.34Å; D254-I261 HydrophobicContact CB-CG2 3.96Å
255	V	75	Confident	85	Confident	117 Å²	117	67.4 Å²	67.4	71%	0.709	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.8	178.6	-178.5	0	0	0	0	113.1	E253	E253-V255 PolarHBondContact O-N 3.3Å
256	N	74.5	Confident	85.1	Confident	123 Å²	123	66.3 Å²	66.3	66%	0.658	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-8.7	178.7	-61.3	-64	0	0	0	113.5	D254 N258	D254-N256 PolarHBondContact O-N 3.18Å; N256-N258 WeakPolarHBondContact CB-ND2 3.18Å; N256-N258 PolarHBondContact O-N 3.24Å
257	H	76.6	Confident	85.3	Confident	153 Å²	153	66.5 Å²	66.5	71%	0.708	36%	0.358	S	S	*	.			trans	55.7	33.4	-174.1	-52.3	-27.6	0	0	0	113.8	D254 K259	D254-H257 PolarHBondContact O-N 2.61Å; D254-H257 PolarHBondContact O-ND1 2.77Å; D254-H257 PolarHBondContact OD1-N 3.04Å; D254-H257 VanDerWaalsContact OD2-C 3.25Å; D254-H257 VanDerWaalsContact OD2-CA 3.28Å; D254-H257 WeakPolarHBondContact OD2-CA 3.3Å; H257-K259 VanDerWaalsContact C-N 3.26Å; H257-K259 PolarHBondContact O-N 3.34Å
258	N	75.9	Confident	85.5	Confident	108 Å²	108	70 Å²	70	58%	0.578	37%	0.371	S	S	*	.			trans	-80.2	-5.4	-179.9	-75.1	-26.7	0	0	0	113.3	D254 N256 Q260	D254-N258 PolarHBondContact OD1-N 3.48Å; D254-N258 PolarHBondContact OD2-N 3.15Å; N256-N258 WeakPolarHBondContact CB-ND2 3.18Å; N256-N258 PolarHBondContact O-N 3.24Å; N258-Q260 PolarHBondContact O-N 2.86Å
259	K	81.5	Confident	85.8	Confident	169 Å²	169	66.6 Å²	66.6	74%	0.735	35%	0.353	S	S	*	.	S	Bend	trans	60.7	18.5	-168.9	-53.9	-174.6	176.6	-172.3	0	114.1	D254 H257	D254-K259 VanDerWaalsContact OD2-CA 3.27Å; D254-K259 WeakPolarHBondContact OD2-CA 3.34Å; D254-K259 PolarHBondContact OD2-N 3.34Å; H257-K259 VanDerWaalsContact C-N 3.26Å; H257-K259 PolarHBondContact O-N 3.34Å
260	Q	86	Confident	86	Confident	91 Å²	91	65.3 Å²	65.3	43%	0.425	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.1	-175.2	-63.1	-174.3	3.4	0	0	110.1	N258 D299 V300	N258-Q260 PolarHBondContact O-N 2.86Å; Q260-D299 HydrophobicContact CB-CB 4.35Å; Q260-V300 WeakPolarHBondContact CA-O 3.25Å
261	I	88.9	Confident	86	Confident	9 Å²	9	68.1 Å²	68.1	5%	0.046	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.7	174.5	66	179.9	0	0	0	110	F250 D254 A265 A266 V300	F250-I261 HydrophobicContact CD2-CD1 3.82Å; F250-I261 HydrophobicContact CD2-CG1 4.32Å; F250-I261 HydrophobicContact CE1-CG2 4.25Å; F250-I261 HydrophobicContact CE2-CD1 3.61Å; F250-I261 HydrophobicContact CE2-CG1 3.61Å; F250-I261 HydrophobicContact CE2-CG2 4.3Å; F250-I261 HydrophobicContact CZ-CB 4.43Å; F250-I261 HydrophobicContact CZ-CD1 4.34Å; F250-I261 HydrophobicContact CZ-CG1 3.97Å; F250-I261 HydrophobicContact CZ-CG2 4Å; D254-I261 HydrophobicContact CB-CG2 3.96Å; I261-A265 HydrophobicContact CB-CB 4.49Å; I261-A266 HydrophobicContact CD1-CB 3.85Å; I261-A266 HydrophobicContact CG1-CB 4.17Å; I261-V300 HydrophobicContact CG1-CB 4.2Å; I261-V300 PolarHBondContact N-O 2.96Å; I261-V300 PolarHBondContact O-N 3.5Å
262	A	88.7	Confident	86.1	Confident	52 Å²	52	71.1 Å²	71.1	43%	0.43	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	145.2	176.2	0	0	0	0	0	111	C264 A265 A266	A262-C264 PolarHBondContact O-N 3.39Å; A262-A265 WeakPolarHBondContact O-CB 3.41Å; A262-A265 PolarHBondContact O-N 2.96Å; A262-A266 PolarHBondContact O-N 3.01Å
263	I	89.4	Confident	86.2	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.108	36%	0.356	C	S	.	.	H	α-helix	trans	-48.1	-38.4	177	-75.1	161.9	0	0	0	112.1	A265 A266 V267 E283 F286 S298 V300	I263-A265 VanDerWaalsContact C-N 3.34Å; I263-A265 PolarHBondContact O-N 3.31Å; I263-A266 PolarHBondContact O-N 2.85Å; I263-V267 HydrophobicContact CG2-CG2 4.03Å; I263-V267 WeakPolarHBondContact O-CB 2.87Å; I263-V267 VanDerWaalsContact O-CG2 3.22Å; I263-V267 WeakPolarHBondContact O-CG2 3.43Å; I263-V267 PolarHBondContact O-N 2.82Å; I263-E283 HydrophobicContact CG2-CG 3.94Å; I263-F286 HydrophobicContact CG1-CB 4.36Å; I263-S298 WeakPolarHBondContact CD1-O 3.28Å; I263-S298 WeakPolarHBondContact CG1-O 3.32Å; I263-S298 PolarHBondContact N-O 3.43Å; I263-V300 HydrophobicContact CB-CG2 4.31Å; I263-V300 HydrophobicContact CG1-CG2 3.51Å
264	C	89.4	Confident	86.3	Confident	98 Å²	98	66.9 Å²	66.9	66%	0.662	35%	0.351	S	S	*	.	H	α-helix	trans	-60.5	-38.7	178.3	-63.7	0	0	0	0	113.6	A262 Q268	A262-C264 PolarHBondContact O-N 3.39Å; C264-Q268 WeakPolarHBondContact O-CG 3.31Å; C264-Q268 PolarHBondContact O-N 2.7Å; C264-Q268 VanDerWaalsContact O-N 3.14Å
265	A	89.8	Confident	86.4	Confident	35 Å²	35	69.4 Å²	69.4	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-71.2	-46.5	176.6	0	0	0	0	0	110.8	I261 A262 I263 V267 Q268 L269	I261-A265 HydrophobicContact CB-CB 4.49Å; A262-A265 WeakPolarHBondContact O-CB 3.41Å; A262-A265 PolarHBondContact O-N 2.96Å; I263-A265 VanDerWaalsContact C-N 3.34Å; I263-A265 PolarHBondContact O-N 3.31Å; A265-V267 VanDerWaalsContact C-N 3.27Å; A265-V267 PolarHBondContact O-N 3.04Å; A265-Q268 PolarHBondContact O-N 3.3Å; A265-L269 PolarHBondContact O-N 2.93Å
266	A	90.6	Very high	86.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-56.5	-40.6	174.9	0	0	0	0	0	112.5	I261 A262 I263 L269 I270 F286 V300 F305	I261-A266 HydrophobicContact CD1-CB 3.85Å; I261-A266 HydrophobicContact CG1-CB 4.17Å; A262-A266 PolarHBondContact O-N 3.01Å; I263-A266 PolarHBondContact O-N 2.85Å; A266-L269 PolarHBondContact O-N 3Å; A266-I270 WeakPolarHBondContact O-CG1 3.44Å; A266-I270 PolarHBondContact O-N 2.93Å; A266-F286 HydrophobicContact CB-CE2 3.79Å; A266-F286 HydrophobicContact CB-CZ 3.73Å; A266-V300 HydrophobicContact CB-CB 4.26Å; A266-V300 HydrophobicContact CB-CG1 4.27Å; A266-V300 HydrophobicContact CB-CG2 3.98Å; A266-F305 HydrophobicContact CB-CD2 4.24Å
267	V	91.4	Very high	87.4	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-41.9	174.9	168.9	0	0	0	0	111.6	I263 A265 K271 N279 I282 E283 F286	I263-V267 HydrophobicContact CG2-CG2 4.03Å; I263-V267 WeakPolarHBondContact O-CB 2.87Å; I263-V267 VanDerWaalsContact O-CG2 3.22Å; I263-V267 WeakPolarHBondContact O-CG2 3.43Å; I263-V267 PolarHBondContact O-N 2.82Å; A265-V267 VanDerWaalsContact C-N 3.27Å; A265-V267 PolarHBondContact O-N 3.04Å; V267-K271 WeakPolarHBondContact O-CB 3.19Å; V267-K271 PolarHBondContact O-N 3.41Å; V267-N279 HydrophobicContact CG1-CB 3.94Å; V267-I282 HydrophobicContact CB-CG2 4.4Å; V267-I282 HydrophobicContact CG1-CB 4.37Å; V267-I282 HydrophobicContact CG1-CD1 4.4Å; V267-I282 HydrophobicContact CG2-CB 4.16Å; V267-I282 HydrophobicContact CG2-CG2 3.89Å; V267-E283 HydrophobicContact CG2-CB 4.09Å; V267-F286 HydrophobicContact CG2-CD2 4.29Å; V267-F286 HydrophobicContact CG2-CE2 4.43Å
268	Q	92.3	Very high	87.9	Confident	105 Å²	105	56.9 Å²	56.9	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-38.8	175.3	-65.7	-37.2	-65.8	0	0	112.2	C264 A265 K271 K272	C264-Q268 WeakPolarHBondContact O-CG 3.31Å; C264-Q268 PolarHBondContact O-N 2.7Å; C264-Q268 VanDerWaalsContact O-N 3.14Å; A265-Q268 PolarHBondContact O-N 3.3Å; Q268-K271 PolarHBondContact O-N 3.1Å; Q268-K272 VanDerWaalsContact O-CB 3.25Å; Q268-K272 WeakPolarHBondContact O-CB 3.47Å; Q268-K272 PolarHBondContact O-N 3.2Å
269	L	91.5	Very high	88.6	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-46	178.3	-176.1	59.4	0	0	0	111.4	L249 E253 A265 A266 K271 K272 L273 F305	L249-L269 HydrophobicContact CB-CD2 4.48Å; E253-L269 HydrophobicContact CG-CD1 4.28Å; E253-L269 HydrophobicContact CG-CD2 4.19Å; A265-L269 PolarHBondContact O-N 2.93Å; A266-L269 PolarHBondContact O-N 3Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 3.27Å; L269-K272 HydrophobicContact CD1-CD 4.38Å; L269-K272 WeakPolarHBondContact O-CB 3.19Å; L269-K272 PolarHBondContact O-N 2.7Å; L269-L273 WeakPolarHBondContact O-CG 3.45Å; L269-L273 PolarHBondContact O-N 2.8Å; L269-F305 HydrophobicContact CB-CE2 4.18Å; L269-F305 HydrophobicContact CD2-CE1 4.12Å; L269-F305 HydrophobicContact CD2-CE2 3.57Å; L269-F305 HydrophobicContact CD2-CZ 3.34Å; L269-F305 HydrophobicContact CG-CE2 3.95Å; L269-F305 HydrophobicContact CG-CZ 3.78Å
270	I	91.6	Very high	89	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-39.2	173.9	-64.2	-177.8	0	0	0	111.1	A266 K272 L273 N274 L277 I282 F286 F305 V308 F309	A266-I270 WeakPolarHBondContact O-CG1 3.44Å; A266-I270 PolarHBondContact O-N 2.93Å; I270-K272 PolarHBondContact O-N 3.38Å; I270-L273 PolarHBondContact O-N 2.62Å; I270-N274 PolarHBondContact O-N 3.2Å; I270-L277 HydrophobicContact CG2-CD1 3.83Å; I270-I282 HydrophobicContact CB-CD1 4.16Å; I270-I282 HydrophobicContact CB-CG2 4.06Å; I270-I282 HydrophobicContact CD1-CG2 3.86Å; I270-I282 HydrophobicContact CG1-CG2 4.47Å; I270-I282 HydrophobicContact CG2-CD1 3.81Å; I270-I282 HydrophobicContact CG2-CG1 4.14Å; I270-I282 HydrophobicContact CG2-CG2 4.08Å; I270-F286 HydrophobicContact CD1-CE2 3.97Å; I270-F286 HydrophobicContact CD1-CZ 3.85Å; I270-F305 HydrophobicContact CD1-CD2 4.37Å; I270-F305 HydrophobicContact CD1-CE2 4.13Å; I270-F305 HydrophobicContact CG1-CD2 4.36Å; I270-F305 HydrophobicContact CG1-CE2 3.65Å; I270-F305 HydrophobicContact CG1-CZ 4.3Å; I270-V308 HydrophobicContact CD1-CG1 3.86Å; I270-F309 HydrophobicContact CD1-CB 4.43Å; I270-F309 HydrophobicContact CG1-CD2 4.35Å
271	K	90.9	Very high	89	Confident	59 Å²	59	49.6 Å²	49.6	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-33.3	177.7	-179.1	59.1	169.7	176.1	0	113.5	V267 Q268 L269 N274 P275 L277 N279 I282	V267-K271 WeakPolarHBondContact O-CB 3.19Å; V267-K271 PolarHBondContact O-N 3.41Å; Q268-K271 PolarHBondContact O-N 3.1Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 3.27Å; K271-N274 CarbonylContact O-C 3.58Å; K271-N274 VanDerWaalsContact O-C 3.28Å; K271-P275 PolarHBondContact NZ-O 3.15Å; K271-P275 WeakPolarHBondContact O-CA 3.44Å; K271-L277 VanDerWaalsContact CD-O 3.26Å; K271-L277 WeakPolarHBondContact CD-O 3.28Å; K271-L277 WeakPolarHBondContact CE-O 3.41Å; K271-L277 PolarHBondContact NZ-O 3.22Å; K271-N279 WeakPolarHBondContact CD-OD1 3.45Å; K271-N279 WeakPolarHBondContact CE-OD1 3.25Å; K271-I282 HydrophobicContact CB-CD1 4.23Å
272	K	89.8	Confident	89.1	Confident	140 Å²	140	49.2 Å²	49.2	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-67.3	-39.6	174.1	177.4	-173.3	179.1	-171.7	0	111.3	E253 Q268 L269 I270	E253-K272 IonicContact OE1-NZ 3.08Å; Q268-K272 VanDerWaalsContact O-CB 3.25Å; Q268-K272 WeakPolarHBondContact O-CB 3.47Å; Q268-K272 PolarHBondContact O-N 3.2Å; L269-K272 HydrophobicContact CD1-CD 4.38Å; L269-K272 WeakPolarHBondContact O-CB 3.19Å; L269-K272 PolarHBondContact O-N 2.7Å; I270-K272 PolarHBondContact O-N 3.38Å
273	L	86.9	Confident	89.2	Confident	58 Å²	58	50.2 Å²	50.2	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-77.5	-35.8	177.1	-64.7	170.2	0	0	0	112.9	W245 L249 L269 I270 F309	W245-L273 HydrophobicContact CH2-CD1 4.3Å; W245-L273 HydrophobicContact CH2-CD2 4.18Å; W245-L273 HydrophobicContact CZ2-CD2 3.87Å; L249-L273 HydrophobicContact CD1-CD1 4.01Å; L249-L273 HydrophobicContact CD1-CD2 4.2Å; L269-L273 WeakPolarHBondContact O-CG 3.45Å; L269-L273 PolarHBondContact O-N 2.8Å; I270-L273 PolarHBondContact O-N 2.62Å; L273-F309 HydrophobicContact CB-CE2 4.09Å; L273-F309 HydrophobicContact CD1-CD2 4.11Å; L273-F309 HydrophobicContact CD1-CE2 3.6Å; L273-F309 HydrophobicContact CD1-CZ 4.41Å; L273-F309 HydrophobicContact CG-CE2 4.49Å
274	N	87.1	Confident	89.2	Confident	49 Å²	49	53.9 Å²	53.9	26%	0.262	28%	0.284	S	S	.	.			trans	-131.2	88	177.1	-172.6	-19.9	0	0	0	111.5	I270 K271 G276 L277	I270-N274 PolarHBondContact O-N 3.2Å; K271-N274 CarbonylContact O-C 3.58Å; K271-N274 VanDerWaalsContact O-C 3.28Å; N274-G276 PolarHBondContact O-N 2.98Å; N274-G276 VanDerWaalsContact O-N 3.1Å; N274-G276 PolarHBondContact OD1-N 2.89Å; N274-L277 HydrophobicContact CB-CD1 3.98Å; N274-L277 HydrophobicContact CB-CG 4.2Å; N274-L277 PolarHBondContact O-N 3.35Å; N274-L277 VanDerWaalsContact O-N 3.16Å
275	P	86.7	Confident	89.2	Confident	60 Å²	60	50.9 Å²	50.9	39%	0.39	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.6	179.7	-28.8	37.8	0	0	0	115.6	K271	K271-P275 PolarHBondContact NZ-O 3.15Å; K271-P275 WeakPolarHBondContact O-CA 3.44Å
276	G	83.4	Confident	89.3	Confident	9 Å²	9	49.2 Å²	49.2	9%	0.093	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.3	175.7	0	0	0	0	0	113.6	N274 K278 N738	N274-G276 PolarHBondContact O-N 2.98Å; N274-G276 VanDerWaalsContact O-N 3.1Å; N274-G276 PolarHBondContact OD1-N 2.89Å; G276-K278 PolarHBondContact O-N 3.15Å; G276-N738 WeakPolarHBondContact CA-OD1 3.26Å; G276-N738 PolarHBondContact O-ND2 2.91Å; G276-N738 PolarHBondContact O-OD1 3.31Å
277	L	87.4	Confident	89.2	Confident	16 Å²	16	54 Å²	54	8%	0.084	27%	0.268	C	S	.	.	S	Bend	trans	-68.3	134.6	-175.6	-68.8	175.9	0	0	0	112.3	I270 K271 N274 I282 L312	I270-L277 HydrophobicContact CG2-CD1 3.83Å; K271-L277 VanDerWaalsContact CD-O 3.26Å; K271-L277 WeakPolarHBondContact CD-O 3.28Å; K271-L277 WeakPolarHBondContact CE-O 3.41Å; K271-L277 PolarHBondContact NZ-O 3.22Å; N274-L277 HydrophobicContact CB-CD1 3.98Å; N274-L277 HydrophobicContact CB-CG 4.2Å; N274-L277 PolarHBondContact O-N 3.35Å; N274-L277 VanDerWaalsContact O-N 3.16Å; L277-I282 HydrophobicContact CB-CD1 3.91Å; L277-I282 HydrophobicContact CB-CG1 4.04Å; L277-I282 HydrophobicContact CD1-CD1 4.48Å; L277-I282 HydrophobicContact CD1-CG1 4.32Å; L277-L312 HydrophobicContact CD1-CB 3.97Å
278	K	87.4	Confident	89	Confident	106 Å²	106	58 Å²	58	46%	0.461	29%	0.285	S	S	.	.			trans	-76.7	128.9	174.1	-66.3	161.8	-179	162.4	0	108.8	G276 V280 K281 I282 D780	G276-K278 PolarHBondContact O-N 3.15Å; K278-V280 PolarHBondContact O-N 2.8Å; K278-V280 VanDerWaalsContact O-N 3.1Å; K278-K281 HydrophobicContact CB-CB 4.42Å; K278-K281 WeakPolarHBondContact O-CB 3.4Å; K278-K281 PolarHBondContact O-N 2.97Å; K278-I282 PolarHBondContact O-N 2.87Å; K278-D780 IonicContact NZ-OD1 2.77Å; K278-D780 PolarHBondContact NZ-OD1 2.65Å
279	N	90.3	Very high	88.7	Confident	62 Å²	62	53.6 Å²	53.6	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-50.5	-41.8	-176.8	-62.7	20.4	0	0	0	112.5	V267 K271 K281 I282 E283	V267-N279 HydrophobicContact CG1-CB 3.94Å; K271-N279 WeakPolarHBondContact CD-OD1 3.45Å; K271-N279 WeakPolarHBondContact CE-OD1 3.25Å; N279-K281 VanDerWaalsContact C-N 3.3Å; N279-K281 PolarHBondContact O-N 2.76Å; N279-I282 PolarHBondContact O-N 2.99Å; N279-E283 WeakPolarHBondContact O-CB 3.37Å; N279-E283 PolarHBondContact O-N 3.45Å
280	V	88.7	Confident	88.6	Confident	96 Å²	96	53.9 Å²	53.9	58%	0.582	27%	0.266	S	S	*	.	H	α-helix	trans	-57.8	-37.8	177.1	-176.5	0	0	0	0	112.5	K278 L284	K278-V280 PolarHBondContact O-N 2.8Å; K278-V280 VanDerWaalsContact O-N 3.1Å; V280-L284 HydrophobicContact CG1-CD1 3.95Å; V280-L284 HydrophobicContact CG1-CG 4.35Å; V280-L284 VanDerWaalsContact O-CB 3.29Å; V280-L284 WeakPolarHBondContact O-CB 3.39Å; V280-L284 WeakPolarHBondContact O-CG 3.47Å; V280-L284 PolarHBondContact O-N 3.42Å
281	K	87.4	Confident	88.3	Confident	57 Å²	57	62 Å²	62	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-39.6	178.3	-171.8	174.9	-174.4	173.5	0	111.4	K278 N279 K285 D780 N781	K278-K281 HydrophobicContact CB-CB 4.42Å; K278-K281 WeakPolarHBondContact O-CB 3.4Å; K278-K281 PolarHBondContact O-N 2.97Å; N279-K281 VanDerWaalsContact C-N 3.3Å; N279-K281 PolarHBondContact O-N 2.76Å; K281-K285 PolarHBondContact O-N 2.63Å; K281-K285 VanDerWaalsContact O-N 3.13Å; K281-D780 VanDerWaalsContact CD-OD2 3.32Å; K281-D780 WeakPolarHBondContact CD-OD2 3.38Å; K281-D780 WeakPolarHBondContact CE-OD2 3.3Å; K281-D780 IonicContact NZ-OD2 2.84Å; K281-D780 PolarHBondContact NZ-OD2 3.05Å; K281-N781 PolarHBondContact NZ-OD1 3.47Å
282	I	91.1	Very high	87.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-47.2	176.6	-50.2	166.8	0	0	0	110	V267 I270 K271 L277 K278 N279 L284 K285 F286 L312	V267-I282 HydrophobicContact CB-CG2 4.4Å; V267-I282 HydrophobicContact CG1-CB 4.37Å; V267-I282 HydrophobicContact CG1-CD1 4.4Å; V267-I282 HydrophobicContact CG2-CB 4.16Å; V267-I282 HydrophobicContact CG2-CG2 3.89Å; I270-I282 HydrophobicContact CB-CD1 4.16Å; I270-I282 HydrophobicContact CB-CG2 4.06Å; I270-I282 HydrophobicContact CD1-CG2 3.86Å; I270-I282 HydrophobicContact CG1-CG2 4.47Å; I270-I282 HydrophobicContact CG2-CD1 3.81Å; I270-I282 HydrophobicContact CG2-CG1 4.14Å; I270-I282 HydrophobicContact CG2-CG2 4.08Å; K271-I282 HydrophobicContact CB-CD1 4.23Å; L277-I282 HydrophobicContact CB-CD1 3.91Å; L277-I282 HydrophobicContact CB-CG1 4.04Å; L277-I282 HydrophobicContact CD1-CD1 4.48Å; L277-I282 HydrophobicContact CD1-CG1 4.32Å; K278-I282 PolarHBondContact O-N 2.87Å; N279-I282 PolarHBondContact O-N 2.99Å; I282-L284 PolarHBondContact O-N 2.84Å; I282-K285 PolarHBondContact O-N 2.89Å; I282-F286 HydrophobicContact CG2-CD2 4.18Å; I282-F286 HydrophobicContact CG2-CE2 3.81Å; I282-F286 WeakPolarHBondContact O-CD2 3.14Å; I282-F286 PolarHBondContact O-N 2.95Å; I282-L312 HydrophobicContact CB-CD1 4.18Å; I282-L312 HydrophobicContact CG1-CD1 4.12Å; I282-L312 HydrophobicContact CG2-CD1 4.04Å
283	E	90.6	Very high	87.5	Confident	73 Å²	73	61.5 Å²	61.5	34%	0.341	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-38.9	179.7	-164.3	-167.7	153.8	0	0	112.5	I263 V267 N279 K287	I263-E283 HydrophobicContact CG2-CG 3.94Å; V267-E283 HydrophobicContact CG2-CB 4.09Å; N279-E283 WeakPolarHBondContact O-CB 3.37Å; N279-E283 PolarHBondContact O-N 3.45Å; E283-K287 WeakPolarHBondContact O-CG 2.82Å; E283-K287 PolarHBondContact O-N 3.2Å; E283-K287 WeakPolarHBondContact OE1-CE 3.33Å; E283-K287 IonicContact OE1-NZ 2.81Å; E283-K287 PolarHBondContact OE1-NZ 3.02Å
284	L	89.5	Confident	87.2	Confident	98 Å²	98	66.3 Å²	66.3	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-42.3	172.2	-77.9	169.4	0	0	0	111.6	V280 I282 F286 K287 E288	V280-L284 HydrophobicContact CG1-CD1 3.95Å; V280-L284 HydrophobicContact CG1-CG 4.35Å; V280-L284 VanDerWaalsContact O-CB 3.29Å; V280-L284 WeakPolarHBondContact O-CB 3.39Å; V280-L284 WeakPolarHBondContact O-CG 3.47Å; V280-L284 PolarHBondContact O-N 3.42Å; I282-L284 PolarHBondContact O-N 2.84Å; L284-F286 PolarHBondContact O-N 3.31Å; L284-K287 CarbonylContact O-C 3.45Å; L284-K287 PolarHBondContact O-N 3.47Å; L284-K287 VanDerWaalsContact O-N 3.12Å; L284-E288 WeakPolarHBondContact O-CG 3.34Å; L284-E288 PolarHBondContact O-N 3.14Å
285	K	89.6	Confident	86.8	Confident	35 Å²	35	67 Å²	67	15%	0.152	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-40.8	-179.2	-166.5	73.9	-150.6	-166.8	0	112.8	K281 I282 E288 L289 V308 D311 L312	K281-K285 PolarHBondContact O-N 2.63Å; K281-K285 VanDerWaalsContact O-N 3.13Å; I282-K285 PolarHBondContact O-N 2.89Å; K285-E288 IonicContact NZ-OE2 3.43Å; K285-E288 PolarHBondContact O-N 2.79Å; K285-L289 PolarHBondContact O-N 3.42Å; K285-V308 HydrophobicContact CB-CG1 4.06Å; K285-V308 HydrophobicContact CG-CB 4.46Å; K285-V308 HydrophobicContact CG-CG1 3.9Å; K285-V308 HydrophobicContact CG-CG2 4.05Å; K285-D311 WeakPolarHBondContact CD-OD2 3.29Å; K285-D311 WeakPolarHBondContact CE-OD2 3.48Å; K285-D311 IonicContact NZ-OD2 3.9Å; K285-D311 PolarHBondContact NZ-OD2 3.06Å; K285-L312 HydrophobicContact CB-CD1 4.04Å; K285-L312 HydrophobicContact CB-CD2 4.3Å; K285-L312 HydrophobicContact CB-CG 4.41Å; K285-L312 HydrophobicContact CD-CD2 4.34Å; K285-L312 HydrophobicContact CG-CD1 4.3Å; K285-L312 HydrophobicContact CG-CD2 4.19Å; K285-L312 HydrophobicContact CG-CG 4.2Å
286	F	90.8	Very high	85.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.4	-44	171.8	-77.4	-64	0	0	0	111.9	I263 A266 V267 I270 I282 L284 E288 L289 H290 V300 F305 V308	I263-F286 HydrophobicContact CG1-CB 4.36Å; A266-F286 HydrophobicContact CB-CE2 3.79Å; A266-F286 HydrophobicContact CB-CZ 3.73Å; V267-F286 HydrophobicContact CG2-CD2 4.29Å; V267-F286 HydrophobicContact CG2-CE2 4.43Å; I270-F286 HydrophobicContact CD1-CE2 3.97Å; I270-F286 HydrophobicContact CD1-CZ 3.85Å; I282-F286 HydrophobicContact CG2-CD2 4.18Å; I282-F286 HydrophobicContact CG2-CE2 3.81Å; I282-F286 WeakPolarHBondContact O-CD2 3.14Å; I282-F286 PolarHBondContact O-N 2.95Å; L284-F286 PolarHBondContact O-N 3.31Å; F286-E288 PolarHBondContact O-N 2.78Å; F286-L289 PolarHBondContact O-N 3.45Å; F286-H290 PolarHBondContact O-N 2.93Å; F286-V300 HydrophobicContact CD1-CG1 3.98Å; F286-V300 HydrophobicContact CD1-CG2 3.81Å; F286-V300 HydrophobicContact CE1-CB 4.37Å; F286-V300 HydrophobicContact CE1-CG1 3.42Å; F286-V300 VanDerWaalsContact CE1-CG1 3.42Å; F286-V300 HydrophobicContact CE1-CG2 3.94Å; F286-V300 HydrophobicContact CG-CG2 4.24Å; F286-V300 HydrophobicContact CZ-CG1 4.07Å; F286-V300 HydrophobicContact CZ-CG2 4.44Å; F286-F305 HydrophobicContact CZ-CD2 4.38Å; F286-V308 HydrophobicContact CD1-CB 4.15Å; F286-V308 HydrophobicContact CD1-CG1 4.34Å; F286-V308 HydrophobicContact CD1-CG2 3.62Å; F286-V308 HydrophobicContact CD2-CG1 4.23Å; F286-V308 HydrophobicContact CE1-CB 3.64Å; F286-V308 HydrophobicContact CE1-CG1 3.96Å; F286-V308 HydrophobicContact CE1-CG2 3.59Å; F286-V308 HydrophobicContact CE2-CB 4.46Å; F286-V308 HydrophobicContact CE2-CG1 3.88Å; F286-V308 HydrophobicContact CG-CG1 4.44Å; F286-V308 HydrophobicContact CG-CG2 4.24Å; F286-V308 HydrophobicContact CZ-CB 3.82Å; F286-V308 HydrophobicContact CZ-CG1 3.72Å; F286-V308 HydrophobicContact CZ-CG2 4.23Å
287	K	88.2	Confident	84.9	Confident	102 Å²	102	71.5 Å²	71.5	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-34.7	177.5	-68.6	170.2	-174.8	173.4	0	113.2	E283 L284 K291	E283-K287 WeakPolarHBondContact O-CG 2.82Å; E283-K287 PolarHBondContact O-N 3.2Å; E283-K287 WeakPolarHBondContact OE1-CE 3.33Å; E283-K287 IonicContact OE1-NZ 2.81Å; E283-K287 PolarHBondContact OE1-NZ 3.02Å; L284-K287 CarbonylContact O-C 3.45Å; L284-K287 PolarHBondContact O-N 3.47Å; L284-K287 VanDerWaalsContact O-N 3.12Å; K287-K291 WeakPolarHBondContact O-CB 3.39Å; K287-K291 PolarHBondContact O-N 3.15Å; K287-K291 VanDerWaalsContact O-N 3.08Å
288	E	87.7	Confident	84.2	Confident	89 Å²	89	74.2 Å²	74.2	42%	0.416	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-46.5	171.9	-74.5	-177.8	164.5	0	0	111.5	L284 K285 F286 K291 A292	L284-E288 WeakPolarHBondContact O-CG 3.34Å; L284-E288 PolarHBondContact O-N 3.14Å; K285-E288 IonicContact NZ-OE2 3.43Å; K285-E288 PolarHBondContact O-N 2.79Å; F286-E288 PolarHBondContact O-N 2.78Å; E288-K291 PolarHBondContact O-N 2.67Å; E288-A292 WeakPolarHBondContact O-CB 3.13Å; E288-A292 PolarHBondContact O-N 3.4Å
289	L	86.9	Confident	84.2	Confident	14 Å²	14	72 Å²	72	7%	0.073	39%	0.394	C	S	.	.	H	α-helix	trans	-65	-50.1	-179.9	-172.9	159.2	0	0	0	111.3	K285 F286 K291 A292 Q293 E304 E307 V308	K285-L289 PolarHBondContact O-N 3.42Å; F286-L289 PolarHBondContact O-N 3.45Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 3.18Å; L289-A292 WeakPolarHBondContact O-CB 3.41Å; L289-A292 PolarHBondContact O-N 3.03Å; L289-Q293 HydrophobicContact CD2-CG 4.38Å; L289-Q293 PolarHBondContact O-N 3.3Å; L289-Q293 VanDerWaalsContact O-N 3.12Å; L289-E304 HydrophobicContact CD2-CB 4.21Å; L289-E304 HydrophobicContact CD2-CG 3.81Å; L289-E307 HydrophobicContact CD1-CB 3.95Å; L289-E307 HydrophobicContact CD1-CG 3.93Å; L289-V308 HydrophobicContact CD1-CG2 3.77Å
290	H	88.5	Confident	84.1	Confident	8 Å²	8	69 Å²	69	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-58.1	-41.1	176.7	-69	165.8	0	0	0	111.8	F286 Q293 D294 K295 E304	F286-H290 PolarHBondContact O-N 2.93Å; H290-Q293 CarbonylContact O-C 3.57Å; H290-Q293 PolarHBondContact O-N 2.86Å; H290-D294 PolarHBondContact O-N 3.19Å; H290-K295 HydrophobicContact CB-CB 4.21Å; H290-K295 PolarHBondContact O-N 2.87Å; H290-E304 IonicContact CD2-OE1 3.51Å; H290-E304 PolarHBondContact CD2-OE1 3.09Å; H290-E304 IonicContact CD2-OE2 3.4Å; H290-E304 IonicContact CE1-OE2 3.58Å; H290-E304 VanDerWaalsContact NE2-CD 3.29Å; H290-E304 IonicContact NE2-OE1 2.67Å; H290-E304 PolarHBondContact NE2-OE1 3.37Å; H290-E304 IonicContact NE2-OE2 2.86Å; H290-E304 PolarHBondContact NE2-OE2 3.02Å
291	K	86.1	Confident	84.1	Confident	171 Å²	171	65.7 Å²	65.7	74%	0.743	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-34.4	174.2	-176.9	-177.6	176.4	-172.6	0	113.3	K287 E288 L289 Q293 D294	K287-K291 WeakPolarHBondContact O-CB 3.39Å; K287-K291 PolarHBondContact O-N 3.15Å; K287-K291 VanDerWaalsContact O-N 3.08Å; E288-K291 PolarHBondContact O-N 2.67Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 3.18Å; K291-Q293 PolarHBondContact O-N 3.34Å; K291-D294 PolarHBondContact O-N 3.05Å
292	A	82.3	Confident	84.1	Confident	86 Å²	86	65.3 Å²	65.3	71%	0.711	36%	0.357	S	S	*	.	H	α-helix	trans	-72	-17.9	176.1	0	0	0	0	0	113.1	E288 L289	E288-A292 WeakPolarHBondContact O-CB 3.13Å; E288-A292 PolarHBondContact O-N 3.4Å; L289-A292 WeakPolarHBondContact O-CB 3.41Å; L289-A292 PolarHBondContact O-N 3.03Å
293	Q	81.9	Confident	83.9	Confident	103 Å²	103	71.5 Å²	71.5	48%	0.481	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	11.7	177.4	-61	-175.3	6.4	0	0	113.2	L289 H290 K291 K295	L289-Q293 HydrophobicContact CD2-CG 4.38Å; L289-Q293 PolarHBondContact O-N 3.3Å; L289-Q293 VanDerWaalsContact O-N 3.12Å; H290-Q293 CarbonylContact O-C 3.57Å; H290-Q293 PolarHBondContact O-N 2.86Å; K291-Q293 PolarHBondContact O-N 3.34Å; Q293-K295 PolarHBondContact O-N 3.38Å; Q293-K295 VanDerWaalsContact O-N 3.11Å
294	D	80.1	Confident	83.8	Confident	159 Å²	159	68.5 Å²	68.5	85%	0.85	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	27.2	-173.9	-74.5	-41.4	0	0	0	114.5	H290 K291	H290-D294 PolarHBondContact O-N 3.19Å; K291-D294 PolarHBondContact O-N 3.05Å
295	K	78.1	Confident	83.9	Confident	62 Å²	62	63.8 Å²	63.8	27%	0.27	35%	0.347	S	S	.	.			trans	-87.8	134.1	-179.3	-163.7	-169	-171.7	-169.6	0	110.9	H290 Q293 D299 E304	H290-K295 HydrophobicContact CB-CB 4.21Å; H290-K295 PolarHBondContact O-N 2.87Å; Q293-K295 PolarHBondContact O-N 3.38Å; Q293-K295 VanDerWaalsContact O-N 3.11Å; K295-D299 PolarHBondContact NZ-O 2.89Å; K295-E304 VanDerWaalsContact CD-OE1 3.28Å; K295-E304 WeakPolarHBondContact CD-OE1 3.22Å; K295-E304 WeakPolarHBondContact CE-OE1 3.48Å; K295-E304 IonicContact NZ-OE1 3.92Å; K295-E304 PolarHBondContact NZ-OE1 3.03Å; K295-E304 IonicContact NZ-OE2 3.08Å; K295-E304 PolarHBondContact NZ-OE2 2.81Å
296	S	62.2	Low	83.8	Confident	129 Å²	129	63.1 Å²	63.1	90%	0.902	35%	0.348	S	S	*	.			trans	-111.3	3.1	-175.5	56.5	0	0	0	0	115.4
297	G	67.8	Low	83.5	Confident	35 Å²	35	68.5 Å²	68.5	36%	0.361	37%	0.373	S	S	.	.			trans	-83.7	165.6	-179.3	0	0	0	0	0	114.3
298	S	73.8	Confident	83.5	Confident	74 Å²	74	63.7 Å²	63.7	52%	0.517	35%	0.352	S	S	.	.	S	Bend	trans	-91.1	4.9	177.4	48.1	0	0	0	0	114.4	I263	I263-S298 WeakPolarHBondContact CD1-O 3.28Å; I263-S298 WeakPolarHBondContact CG1-O 3.32Å; I263-S298 PolarHBondContact N-O 3.43Å
299	D	85.9	Confident	83.6	Confident	58 Å²	58	59.7 Å²	59.7	31%	0.31	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.1	-155.1	-44.9	-43.1	0	0	0	109.8	Q260 K295	Q260-D299 HydrophobicContact CB-CB 4.35Å; K295-D299 PolarHBondContact NZ-O 2.89Å
300	V	87.9	Confident	83.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.8	-171.6	-178.9	0	0	0	0	109.1	F250 Q260 I261 I263 A266 F286 E304 F305	F250-V300 WeakPolarHBondContact CZ-O 3.37Å; Q260-V300 WeakPolarHBondContact CA-O 3.25Å; I261-V300 HydrophobicContact CG1-CB 4.2Å; I261-V300 PolarHBondContact N-O 2.96Å; I261-V300 PolarHBondContact O-N 3.5Å; I263-V300 HydrophobicContact CB-CG2 4.31Å; I263-V300 HydrophobicContact CG1-CG2 3.51Å; A266-V300 HydrophobicContact CB-CB 4.26Å; A266-V300 HydrophobicContact CB-CG1 4.27Å; A266-V300 HydrophobicContact CB-CG2 3.98Å; F286-V300 HydrophobicContact CD1-CG1 3.98Å; F286-V300 HydrophobicContact CD1-CG2 3.81Å; F286-V300 HydrophobicContact CE1-CB 4.37Å; F286-V300 HydrophobicContact CE1-CG1 3.42Å; F286-V300 VanDerWaalsContact CE1-CG1 3.42Å; F286-V300 HydrophobicContact CE1-CG2 3.94Å; F286-V300 HydrophobicContact CG-CG2 4.24Å; F286-V300 HydrophobicContact CZ-CG1 4.07Å; F286-V300 HydrophobicContact CZ-CG2 4.44Å; V300-E304 VanDerWaalsContact CA-OE2 3.32Å; V300-E304 WeakPolarHBondContact CA-OE2 3.49Å; V300-E304 HydrophobicContact CG1-CB 4.02Å; V300-F305 HydrophobicContact CG1-CB 3.86Å
301	T	89.8	Confident	83.2	Confident	27 Å²	27	61.2 Å²	61.2	17%	0.166	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	166.6	170.4	84.4	0	0	0	0	111.5	E303 E304 F305	T301-E303 WeakPolarHBondContact CB-OE2 3.34Å; T301-E303 PolarHBondContact O-N 3.48Å; T301-E303 PolarHBondContact OG1-N 3.17Å; T301-E303 PolarHBondContact OG1-OE2 3.26Å; T301-E304 HydrophobicContact CG2-CG 4.47Å; T301-E304 PolarHBondContact N-OE2 3.42Å; T301-E304 PolarHBondContact O-N 3.02Å; T301-E304 WeakPolarHBondContact OG1-CG 3.44Å; T301-E304 PolarHBondContact OG1-N 3.4Å; T301-F305 WeakPolarHBondContact O-CB 3.44Å; T301-F305 PolarHBondContact O-N 3.46Å
302	K	87.7	Confident	83.2	Confident	49 Å²	49	54.1 Å²	54.1	21%	0.213	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-37.7	179.8	-163.9	163.1	-175.1	173	0	112.8	S247 F250 D251 A306	S247-K302 WeakPolarHBondContact O-CE 3.23Å; S247-K302 PolarHBondContact O-NZ 2.88Å; S247-K302 WeakPolarHBondContact OG-CE 3.38Å; S247-K302 PolarHBondContact OG-NZ 3.11Å; F250-K302 HydrophobicContact CB-CG 4.11Å; F250-K302 HydrophobicContact CD1-CB 3.96Å; F250-K302 HydrophobicContact CD1-CD 4.04Å; F250-K302 HydrophobicContact CD1-CG 3.87Å; F250-K302 HydrophobicContact CD2-CB 4.38Å; F250-K302 HydrophobicContact CD2-CG 4.43Å; F250-K302 HydrophobicContact CE1-CB 3.98Å; F250-K302 HydrophobicContact CE1-CG 4.41Å; F250-K302 HydrophobicContact CE2-CB 4.38Å; F250-K302 HydrophobicContact CG-CB 4.17Å; F250-K302 HydrophobicContact CG-CD 4.44Å; F250-K302 HydrophobicContact CG-CG 3.89Å; F250-K302 HydrophobicContact CZ-CB 4.19Å; D251-K302 WeakPolarHBondContact OD1-CE 3.43Å; D251-K302 IonicContact OD1-NZ 2.77Å; D251-K302 PolarHBondContact OD1-NZ 3.37Å; D251-K302 IonicContact OD2-NZ 3.96Å; D251-K302 PolarHBondContact OD2-NZ 3.09Å; K302-A306 WeakPolarHBondContact O-CB 3.5Å; K302-A306 PolarHBondContact O-N 3.44Å; K302-A306 VanDerWaalsContact O-N 3.1Å
303	E	86.8	Confident	83.4	Confident	130 Å²	130	50.8 Å²	50.8	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-72.4	-43.9	178.1	-53.6	72.7	-157.6	0	0	111.4	T301 A306 E307	T301-E303 WeakPolarHBondContact CB-OE2 3.34Å; T301-E303 PolarHBondContact O-N 3.48Å; T301-E303 PolarHBondContact OG1-N 3.17Å; T301-E303 PolarHBondContact OG1-OE2 3.26Å; E303-A306 PolarHBondContact O-N 3.23Å; E303-E307 PolarHBondContact O-N 2.82Å
304	E	88.6	Confident	83.5	Confident	9 Å²	9	46 Å²	46	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-40.6	176.6	-62.9	173.9	162.1	0	0	111.7	L289 H290 K295 V300 T301 E307 V308	L289-E304 HydrophobicContact CD2-CB 4.21Å; L289-E304 HydrophobicContact CD2-CG 3.81Å; H290-E304 IonicContact CD2-OE1 3.51Å; H290-E304 PolarHBondContact CD2-OE1 3.09Å; H290-E304 IonicContact CD2-OE2 3.4Å; H290-E304 IonicContact CE1-OE2 3.58Å; H290-E304 VanDerWaalsContact NE2-CD 3.29Å; H290-E304 IonicContact NE2-OE1 2.67Å; H290-E304 PolarHBondContact NE2-OE1 3.37Å; H290-E304 IonicContact NE2-OE2 2.86Å; H290-E304 PolarHBondContact NE2-OE2 3.02Å; K295-E304 VanDerWaalsContact CD-OE1 3.28Å; K295-E304 WeakPolarHBondContact CD-OE1 3.22Å; K295-E304 WeakPolarHBondContact CE-OE1 3.48Å; K295-E304 IonicContact NZ-OE1 3.92Å; K295-E304 PolarHBondContact NZ-OE1 3.03Å; K295-E304 IonicContact NZ-OE2 3.08Å; K295-E304 PolarHBondContact NZ-OE2 2.81Å; V300-E304 VanDerWaalsContact CA-OE2 3.32Å; V300-E304 WeakPolarHBondContact CA-OE2 3.49Å; V300-E304 HydrophobicContact CG1-CB 4.02Å; T301-E304 HydrophobicContact CG2-CG 4.47Å; T301-E304 PolarHBondContact N-OE2 3.42Å; T301-E304 PolarHBondContact O-N 3.02Å; T301-E304 WeakPolarHBondContact OG1-CG 3.44Å; T301-E304 PolarHBondContact OG1-N 3.4Å; E304-E307 PolarHBondContact O-N 3.4Å; E304-V308 WeakPolarHBondContact O-CG2 3.31Å; E304-V308 PolarHBondContact O-N 2.68Å
305	F	90.6	Very high	83.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-48.4	172.8	173.3	-99.2	0	0	0	111.2	L246 F250 A266 L269 I270 F286 V300 T301 V308 F309	L246-F305 HydrophobicContact CB-CE1 4.44Å; L246-F305 HydrophobicContact CD2-CE1 3.98Å; F250-F305 HydrophobicContact CB-CD1 4.5Å; F250-F305 HydrophobicContact CD2-CB 3.74Å; F250-F305 HydrophobicContact CD2-CD1 4.04Å; F250-F305 AromaticContact CD2-CG 3.87Å; F250-F305 HydrophobicContact CD2-CG 3.87Å; F250-F305 HydrophobicContact CE2-CB 3.91Å; F250-F305 HydrophobicContact CE2-CG 4.45Å; A266-F305 HydrophobicContact CB-CD2 4.24Å; L269-F305 HydrophobicContact CB-CE2 4.18Å; L269-F305 HydrophobicContact CD2-CE1 4.12Å; L269-F305 HydrophobicContact CD2-CE2 3.57Å; L269-F305 HydrophobicContact CD2-CZ 3.34Å; L269-F305 HydrophobicContact CG-CE2 3.95Å; L269-F305 HydrophobicContact CG-CZ 3.78Å; I270-F305 HydrophobicContact CD1-CD2 4.37Å; I270-F305 HydrophobicContact CD1-CE2 4.13Å; I270-F305 HydrophobicContact CG1-CD2 4.36Å; I270-F305 HydrophobicContact CG1-CE2 3.65Å; I270-F305 HydrophobicContact CG1-CZ 4.3Å; F286-F305 HydrophobicContact CZ-CD2 4.38Å; V300-F305 HydrophobicContact CG1-CB 3.86Å; T301-F305 WeakPolarHBondContact O-CB 3.44Å; T301-F305 PolarHBondContact O-N 3.46Å; F305-V308 PolarHBondContact O-N 3.24Å; F305-F309 WeakPolarHBondContact O-CB 3.13Å; F305-F309 PolarHBondContact O-N 3.03Å
306	A	87.6	Confident	83.8	Confident	20 Å²	20	38.6 Å²	38.6	17%	0.165	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-44.6	177.4	0	0	0	0	0	111.5	K302 E303 F309 H310	K302-A306 WeakPolarHBondContact O-CB 3.5Å; K302-A306 PolarHBondContact O-N 3.44Å; K302-A306 VanDerWaalsContact O-N 3.1Å; E303-A306 PolarHBondContact O-N 3.23Å; A306-F309 PolarHBondContact O-N 3.05Å; A306-H310 WeakPolarHBondContact O-CB 3.07Å; A306-H310 VanDerWaalsContact O-CG 3.28Å; A306-H310 PolarHBondContact O-N 3.12Å; A306-H310 PolarHBondContact O-ND1 3.31Å
307	E	85.7	Confident	84.8	Confident	113 Å²	113	33.9 Å²	33.9	53%	0.528	19%	0.185	S	C	.	.	H	α-helix	trans	-60.6	-47.1	178.6	-171.8	173.7	173.8	0	0	112	L289 E303 E304 H310 D311	L289-E307 HydrophobicContact CD1-CB 3.95Å; L289-E307 HydrophobicContact CD1-CG 3.93Å; E303-E307 PolarHBondContact O-N 2.82Å; E304-E307 PolarHBondContact O-N 3.4Å; E307-H310 PolarHBondContact O-N 2.9Å; E307-D311 PolarHBondContact O-N 2.91Å
308	V	88.4	Confident	85.8	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-38.5	178	172.5	0	0	0	0	112.3	I270 K285 F286 L289 E304 F305 L312	I270-V308 HydrophobicContact CD1-CG1 3.86Å; K285-V308 HydrophobicContact CB-CG1 4.06Å; K285-V308 HydrophobicContact CG-CB 4.46Å; K285-V308 HydrophobicContact CG-CG1 3.9Å; K285-V308 HydrophobicContact CG-CG2 4.05Å; F286-V308 HydrophobicContact CD1-CB 4.15Å; F286-V308 HydrophobicContact CD1-CG1 4.34Å; F286-V308 HydrophobicContact CD1-CG2 3.62Å; F286-V308 HydrophobicContact CD2-CG1 4.23Å; F286-V308 HydrophobicContact CE1-CB 3.64Å; F286-V308 HydrophobicContact CE1-CG1 3.96Å; F286-V308 HydrophobicContact CE1-CG2 3.59Å; F286-V308 HydrophobicContact CE2-CB 4.46Å; F286-V308 HydrophobicContact CE2-CG1 3.88Å; F286-V308 HydrophobicContact CG-CG1 4.44Å; F286-V308 HydrophobicContact CG-CG2 4.24Å; F286-V308 HydrophobicContact CZ-CB 3.82Å; F286-V308 HydrophobicContact CZ-CG1 3.72Å; F286-V308 HydrophobicContact CZ-CG2 4.23Å; L289-V308 HydrophobicContact CD1-CG2 3.77Å; E304-V308 WeakPolarHBondContact O-CG2 3.31Å; E304-V308 PolarHBondContact O-N 2.68Å; F305-V308 PolarHBondContact O-N 3.24Å; V308-L312 HydrophobicContact CG1-CD1 3.62Å; V308-L312 HydrophobicContact CG1-CG 4.21Å; V308-L312 WeakPolarHBondContact O-CB 3.18Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.48Å
309	F	88.8	Confident	86.3	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.022	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-45.6	173.3	-179.1	-89.4	0	0	0	111.4	W245 L246 I270 L273 F305 A306 D311 L312 C313 D377	W245-F309 AromaticContact CH2-CZ 3.97Å; W245-F309 HydrophobicContact CH2-CZ 3.97Å; W245-F309 HydrophobicContact CZ3-CE1 4.03Å; W245-F309 AromaticContact CZ3-CZ 3.93Å; W245-F309 HydrophobicContact CZ3-CZ 3.93Å; L246-F309 HydrophobicContact CD1-CD1 3.58Å; L246-F309 HydrophobicContact CD1-CE1 4.12Å; L246-F309 HydrophobicContact CD1-CG 4.27Å; L246-F309 HydrophobicContact CD2-CB 4.38Å; L246-F309 HydrophobicContact CD2-CD1 3.56Å; L246-F309 HydrophobicContact CD2-CD2 4.11Å; L246-F309 HydrophobicContact CD2-CE1 3.79Å; L246-F309 HydrophobicContact CD2-CE2 4.31Å; L246-F309 HydrophobicContact CD2-CG 3.73Å; L246-F309 HydrophobicContact CD2-CZ 4.16Å; L246-F309 HydrophobicContact CG-CD1 4.2Å; L246-F309 HydrophobicContact CG-CE1 4.46Å; I270-F309 HydrophobicContact CD1-CB 4.43Å; I270-F309 HydrophobicContact CG1-CD2 4.35Å; L273-F309 HydrophobicContact CB-CE2 4.09Å; L273-F309 HydrophobicContact CD1-CD2 4.11Å; L273-F309 HydrophobicContact CD1-CE2 3.6Å; L273-F309 HydrophobicContact CD1-CZ 4.41Å; L273-F309 HydrophobicContact CG-CE2 4.49Å; F305-F309 WeakPolarHBondContact O-CB 3.13Å; F305-F309 PolarHBondContact O-N 3.03Å; A306-F309 PolarHBondContact O-N 3.05Å; F309-D311 PolarHBondContact O-N 3.48Å; F309-L312 PolarHBondContact O-N 3.32Å; F309-C313 HydrophobicContact CD1-CB 4.41Å; F309-C313 HydrophobicContact CD2-CB 4.15Å; F309-C313 HydrophobicContact CE1-CB 4.11Å; F309-C313 HydrophobicContact CE2-CB 3.81Å; F309-C313 HydrophobicContact CG-CB 4.44Å; F309-C313 HydrophobicContact CZ-CB 3.79Å; F309-C313 VanDerWaalsContact O-CB 3.31Å; F309-C313 WeakPolarHBondContact O-CB 3.39Å; F309-C313 PolarHBondContact O-N 3.43Å; F309-D377 WeakPolarHBondContact CE1-OD1 3.38Å
310	H	85.1	Confident	86	Confident	10 Å²	10	27.5 Å²	27.5	5%	0.046	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-46.5	178.5	-73.8	110.7	0	0	0	111.8	R109 R242 A306 E307 T314	R109-H310 PolarHBondContact NH2-CE1 2.73Å; R109-H310 PolarHBondContact NH2-NE2 3.27Å; R242-H310 PolarHBondContact NH1-CD2 3.37Å; A306-H310 WeakPolarHBondContact O-CB 3.07Å; A306-H310 VanDerWaalsContact O-CG 3.28Å; A306-H310 PolarHBondContact O-N 3.12Å; A306-H310 PolarHBondContact O-ND1 3.31Å; E307-H310 PolarHBondContact O-N 2.9Å; H310-T314 WeakPolarHBondContact O-CB 3.48Å; H310-T314 PolarHBondContact O-N 3.45Å; H310-T314 PolarHBondContact O-OG1 3.06Å
311	D	82.6	Confident	85.7	Confident	44 Å²	44	28.1 Å²	28.1	24%	0.235	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-43.6	179.8	-174.9	49.2	0	0	0	112.9	K106 K285 E307 F309	K106-D311 VanDerWaalsContact CD-O 3.3Å; K106-D311 WeakPolarHBondContact CD-O 3.48Å; K106-D311 PolarHBondContact NZ-O 2.68Å; K285-D311 WeakPolarHBondContact CD-OD2 3.29Å; K285-D311 WeakPolarHBondContact CE-OD2 3.48Å; K285-D311 IonicContact NZ-OD2 3.9Å; K285-D311 PolarHBondContact NZ-OD2 3.06Å; E307-D311 PolarHBondContact O-N 2.91Å; F309-D311 PolarHBondContact O-N 3.48Å
312	L	84.9	Confident	85.5	Confident	23 Å²	23	27 Å²	27	12%	0.12	13%	0.132	C	C	.	.	H	α-helix	trans	-79.7	-39.7	-175.5	-64.8	-179.9	0	0	0	113.5	L277 I282 K285 V308 F309	L277-L312 HydrophobicContact CD1-CB 3.97Å; I282-L312 HydrophobicContact CB-CD1 4.18Å; I282-L312 HydrophobicContact CG1-CD1 4.12Å; I282-L312 HydrophobicContact CG2-CD1 4.04Å; K285-L312 HydrophobicContact CB-CD1 4.04Å; K285-L312 HydrophobicContact CB-CD2 4.3Å; K285-L312 HydrophobicContact CB-CG 4.41Å; K285-L312 HydrophobicContact CD-CD2 4.34Å; K285-L312 HydrophobicContact CG-CD1 4.3Å; K285-L312 HydrophobicContact CG-CD2 4.19Å; K285-L312 HydrophobicContact CG-CG 4.2Å; V308-L312 HydrophobicContact CG1-CD1 3.62Å; V308-L312 HydrophobicContact CG1-CG 4.21Å; V308-L312 WeakPolarHBondContact O-CB 3.18Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.48Å; F309-L312 PolarHBondContact O-N 3.32Å
313	C	86.3	Confident	84.9	Confident	16 Å²	16	25.1 Å²	25.1	11%	0.108	12%	0.124	C	C	.	.	H	α-helix	trans	-98.4	-17.5	-171.5	-60.4	0	0	0	0	114.2	F309 R315	F309-C313 HydrophobicContact CD1-CB 4.41Å; F309-C313 HydrophobicContact CD2-CB 4.15Å; F309-C313 HydrophobicContact CE1-CB 4.11Å; F309-C313 HydrophobicContact CE2-CB 3.81Å; F309-C313 HydrophobicContact CG-CB 4.44Å; F309-C313 HydrophobicContact CZ-CB 3.79Å; F309-C313 VanDerWaalsContact O-CB 3.31Å; F309-C313 WeakPolarHBondContact O-CB 3.39Å; F309-C313 PolarHBondContact O-N 3.43Å; C313-R315 PolarHBondContact O-N 3.19Å
314	T	84.9	Confident	84.3	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.116	C	C	.	.			trans	-76.4	119.7	173.4	-48.9	0	0	0	0	110.6	K106 R242 H310 L376	K106-T314 WeakPolarHBondContact CE-O 3.43Å; K106-T314 PolarHBondContact NZ-O 3.2Å; R242-T314 PolarHBondContact NH1-OG1 3.49Å; R242-T314 PolarHBondContact NH2-OG1 3.3Å; H310-T314 WeakPolarHBondContact O-CB 3.48Å; H310-T314 PolarHBondContact O-N 3.45Å; H310-T314 PolarHBondContact O-OG1 3.06Å; T314-L376 HydrophobicContact CG2-CD2 3.94Å
315	R	84.3	Confident	83.8	Confident	47 Å²	47	24.1 Å²	24.1	18%	0.177	12%	0.119	C	C	.	.			trans	-93.9	112.5	172.4	-80.1	178.8	63.3	-171.7	-6	109.3	C313 E317 I318 Y319 S735 H831 F848	C313-R315 PolarHBondContact O-N 3.19Å; R315-E317 VanDerWaalsContact C-OE2 3.27Å; R315-E317 WeakPolarHBondContact CB-OE2 3.4Å; R315-E317 IonicContact CZ-OE1 2.6Å; R315-E317 VanDerWaalsContact CZ-OE1 3.24Å; R315-E317 IonicContact NE-OE1 2.77Å; R315-E317 PolarHBondContact NE-OE1 2.87Å; R315-E317 IonicContact NH2-OE1 3.65Å; R315-E317 PolarHBondContact NH2-OE1 2.6Å; R315-E317 PolarHBondContact O-N 2.68Å; R315-I318 HydrophobicContact CB-CB 4.12Å; R315-I318 HydrophobicContact CB-CD1 4.14Å; R315-I318 HydrophobicContact CB-CG1 4.08Å; R315-I318 PolarHBondContact O-N 3.02Å; R315-I318 VanDerWaalsContact O-N 3.1Å; R315-Y319 PolarHBondContact O-N 3.4Å; R315-S735 PolarHBondContact NH2-OG 3.05Å; R315-S735 VanDerWaalsContact NH2-OG 3.08Å; R315-H831 PolarHBondContact NH1-NE2 2.81Å; R315-F848 VanDerWaalsContact NH2-CB 3.27Å
316	P	80.8	Confident	83.2	Confident	18 Å²	18	24.1 Å²	24.1	12%	0.117	12%	0.12	C	C	.	.	H	α-helix	trans	-56.5	-36.2	-174	-27.2	36.2	0	0	0	113.7	K106 Y319 F320	K106-P316 HydrophobicContact CG-CG 4.12Å; P316-Y319 WeakPolarHBondContact O-CB 3.27Å; P316-Y319 PolarHBondContact O-N 3.38Å; P316-F320 HydrophobicContact CB-CE2 4.28Å; P316-F320 WeakPolarHBondContact O-CD2 3.49Å; P316-F320 WeakPolarHBondContact O-CG 3.43Å; P316-F320 PolarHBondContact O-N 2.97Å
317	E	82.2	Confident	82.5	Confident	30 Å²	30	27.1 Å²	27.1	14%	0.14	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-36.9	178.6	74.3	-79.1	-156.9	0	0	112.7	R315 L321 I734 S735 L783 F848	R315-E317 VanDerWaalsContact C-OE2 3.27Å; R315-E317 WeakPolarHBondContact CB-OE2 3.4Å; R315-E317 IonicContact CZ-OE1 2.6Å; R315-E317 VanDerWaalsContact CZ-OE1 3.24Å; R315-E317 IonicContact NE-OE1 2.77Å; R315-E317 PolarHBondContact NE-OE1 2.87Å; R315-E317 IonicContact NH2-OE1 3.65Å; R315-E317 PolarHBondContact NH2-OE1 2.6Å; R315-E317 PolarHBondContact O-N 2.68Å; E317-L321 WeakPolarHBondContact O-CB 3.19Å; E317-L321 PolarHBondContact O-N 3.16Å; E317-I734 HydrophobicContact CB-CG2 3.84Å; E317-I734 HydrophobicContact CG-CG2 3.82Å; E317-S735 WeakPolarHBondContact OE1-CB 3.27Å; E317-S735 PolarHBondContact OE1-OG 3.08Å; E317-L783 HydrophobicContact CB-CD2 4.29Å; E317-L783 HydrophobicContact CG-CD2 4.47Å; E317-F848 HydrophobicContact CG-CD1 3.94Å; E317-F848 HydrophobicContact CG-CE1 4.03Å
318	I	88.6	Confident	81.8	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-73.6	-38	173.6	-63.3	-175.9	0	0	0	110.2	R315 L321 F322 L376 F379 L383 F848	R315-I318 HydrophobicContact CB-CB 4.12Å; R315-I318 HydrophobicContact CB-CD1 4.14Å; R315-I318 HydrophobicContact CB-CG1 4.08Å; R315-I318 PolarHBondContact O-N 3.02Å; R315-I318 VanDerWaalsContact O-N 3.1Å; I318-L321 PolarHBondContact O-N 3.3Å; I318-F322 VanDerWaalsContact O-CB 3.3Å; I318-F322 WeakPolarHBondContact O-CB 3.19Å; I318-F322 PolarHBondContact O-N 2.95Å; I318-L376 HydrophobicContact CG2-CD1 4.23Å; I318-F379 HydrophobicContact CG2-CD1 3.77Å; I318-F379 HydrophobicContact CG2-CE1 4.03Å; I318-L383 HydrophobicContact CD1-CD1 4.19Å; I318-L383 HydrophobicContact CG1-CD1 4.21Å; I318-L383 HydrophobicContact CG2-CD1 3.9Å; I318-F848 HydrophobicContact CG1-CE1 4.15Å; I318-F848 HydrophobicContact CG1-CZ 4.31Å
319	Y	84.8	Confident	81.2	Confident	10 Å²	10	25.1 Å²	25.1	4%	0.039	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-47.5	176.3	167.7	-102.2	0	0	0	112.5	I107 V110 R315 P316 L321 F322 V323 L376	I107-Y319 HydrophobicContact CG2-CD1 4.3Å; I107-Y319 HydrophobicContact CG2-CE1 3.93Å; V110-Y319 WeakPolarHBondContact CA-OH 3.48Å; V110-Y319 WeakPolarHBondContact CG2-OH 3.33Å; V110-Y319 PolarHBondContact N-OH 3.42Å; R315-Y319 PolarHBondContact O-N 3.4Å; P316-Y319 WeakPolarHBondContact O-CB 3.27Å; P316-Y319 PolarHBondContact O-N 3.38Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 3.14Å; Y319-F322 PolarHBondContact O-N 3.35Å; Y319-V323 HydrophobicContact CD2-CG2 3.98Å; Y319-V323 HydrophobicContact CE1-CG2 4.37Å; Y319-V323 HydrophobicContact CE2-CG2 3.5Å; Y319-V323 WeakPolarHBondContact O-CB 3.44Å; Y319-V323 WeakPolarHBondContact O-CG2 3.3Å; Y319-V323 PolarHBondContact O-N 2.8Å; Y319-L376 HydrophobicContact CD2-CD2 3.85Å
320	F	78.8	Confident	80.6	Confident	21 Å²	21	28.8 Å²	28.8	9%	0.092	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-36.9	176.5	-69.5	-54.8	0	0	0	112.2	I107 N214 I215 T218 P316 Q324	I107-F320 HydrophobicContact CB-CZ 4.35Å; I107-F320 HydrophobicContact CG2-CE1 4.22Å; I107-F320 HydrophobicContact CG2-CZ 3.88Å; N214-F320 HydrophobicContact CB-CD1 4.2Å; N214-F320 HydrophobicContact CB-CD2 3.9Å; N214-F320 HydrophobicContact CB-CE1 4.23Å; N214-F320 HydrophobicContact CB-CE2 3.93Å; N214-F320 HydrophobicContact CB-CG 4.05Å; N214-F320 HydrophobicContact CB-CZ 4.1Å; I215-F320 HydrophobicContact CG1-CZ 4Å; T218-F320 HydrophobicContact CG2-CD1 4.43Å; T218-F320 HydrophobicContact CG2-CE1 4.46Å; T218-F320 WeakPolarHBondContact OG1-CD1 3.41Å; P316-F320 HydrophobicContact CB-CE2 4.28Å; P316-F320 WeakPolarHBondContact O-CD2 3.49Å; P316-F320 WeakPolarHBondContact O-CG 3.43Å; P316-F320 PolarHBondContact O-N 2.97Å; F320-Q324 PolarHBondContact O-N 2.87Å
321	L	82.4	Confident	80.6	Confident	14 Å²	14	29.7 Å²	29.7	7%	0.073	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-48.8	173.1	178.3	60.4	0	0	0	111.9	E317 I318 Y319 V323 Q324 F325 F340 F379 L383 F829 F848	E317-L321 WeakPolarHBondContact O-CB 3.19Å; E317-L321 PolarHBondContact O-N 3.16Å; I318-L321 PolarHBondContact O-N 3.3Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 3.14Å; L321-V323 PolarHBondContact O-N 3.18Å; L321-Q324 WeakPolarHBondContact O-CB 3.42Å; L321-Q324 PolarHBondContact O-N 2.73Å; L321-Q324 VanDerWaalsContact O-N 3.15Å; L321-F325 HydrophobicContact CD1-CD2 4.2Å; L321-F325 HydrophobicContact CD1-CE2 3.9Å; L321-F325 WeakPolarHBondContact O-CD2 3.5Å; L321-F340 HydrophobicContact CD1-CE2 4.16Å; L321-F340 HydrophobicContact CD2-CE2 4.17Å; L321-F340 HydrophobicContact CD2-CZ 4.45Å; L321-F340 HydrophobicContact CG-CE2 4.29Å; L321-F379 HydrophobicContact CD2-CE1 4.1Å; L321-F379 HydrophobicContact CD2-CZ 4.03Å; L321-F379 HydrophobicContact CG-CE1 4.1Å; L321-F379 HydrophobicContact CG-CZ 4.03Å; L321-L383 HydrophobicContact CD2-CD1 4.33Å; L321-F829 HydrophobicContact CD1-CD2 4.1Å; L321-F829 HydrophobicContact CD1-CE1 4.18Å; L321-F829 HydrophobicContact CD1-CE2 3.52Å; L321-F829 HydrophobicContact CD1-CZ 3.56Å; L321-F829 HydrophobicContact CD2-CB 4.3Å; L321-F829 HydrophobicContact CD2-CD1 3.73Å; L321-F829 HydrophobicContact CD2-CD2 3.78Å; L321-F829 HydrophobicContact CD2-CE1 3.94Å; L321-F829 HydrophobicContact CD2-CE2 4Å; L321-F829 HydrophobicContact CD2-CG 3.65Å; L321-F829 HydrophobicContact CD2-CZ 4.08Å; L321-F829 HydrophobicContact CG-CE2 4.42Å; L321-F829 HydrophobicContact CG-CZ 4.44Å; L321-F848 HydrophobicContact CD2-CZ 4.39Å
322	F	85.4	Confident	80.9	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-46.3	176.6	172.1	-95.6	0	0	0	112.3	I318 Y319 Q324 F325 S326 E330 L332 L376 F379	I318-F322 VanDerWaalsContact O-CB 3.3Å; I318-F322 WeakPolarHBondContact O-CB 3.19Å; I318-F322 PolarHBondContact O-N 2.95Å; Y319-F322 PolarHBondContact O-N 3.35Å; F322-Q324 PolarHBondContact O-N 3.36Å; F322-F325 PolarHBondContact O-N 2.73Å; F322-S326 WeakPolarHBondContact O-CB 3.38Å; F322-S326 PolarHBondContact O-N 2.83Å; F322-E330 WeakPolarHBondContact CZ-O 3.49Å; F322-L332 HydrophobicContact CD2-CD1 4.16Å; F322-L332 HydrophobicContact CD2-CD2 4.39Å; F322-L332 HydrophobicContact CD2-CG 3.95Å; F322-L332 HydrophobicContact CE2-CD1 4.41Å; F322-L332 HydrophobicContact CE2-CG 3.89Å; F322-L376 HydrophobicContact CB-CD1 3.66Å; F322-L376 HydrophobicContact CD1-CB 4.4Å; F322-L376 HydrophobicContact CD1-CD1 3.9Å; F322-L376 HydrophobicContact CD2-CD1 4.15Å; F322-L376 HydrophobicContact CE1-CB 4.17Å; F322-L376 HydrophobicContact CE2-CB 4.36Å; F322-L376 HydrophobicContact CG-CD1 3.67Å; F322-L376 HydrophobicContact CZ-CB 4.12Å; F322-F379 HydrophobicContact CB-CD1 3.8Å; F322-F379 HydrophobicContact CB-CE1 3.92Å; F322-F379 HydrophobicContact CD2-CB 3.81Å; F322-F379 AromaticContact CD2-CD1 3.91Å; F322-F379 HydrophobicContact CD2-CD1 3.91Å; F322-F379 AromaticContact CD2-CG 3.86Å; F322-F379 HydrophobicContact CD2-CG 3.86Å; F322-F379 HydrophobicContact CE2-CB 4.22Å; F322-F379 HydrophobicContact CG-CD1 4.34Å
323	V	75.6	Confident	81.1	Confident	8 Å²	8	29 Å²	29	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-69.1	-18.3	178.3	172.3	0	0	0	0	112.5	T218 Y319 L321 K329	T218-V323 HydrophobicContact CG2-CG1 3.7Å; Y319-V323 HydrophobicContact CD2-CG2 3.98Å; Y319-V323 HydrophobicContact CE1-CG2 4.37Å; Y319-V323 HydrophobicContact CE2-CG2 3.5Å; Y319-V323 WeakPolarHBondContact O-CB 3.44Å; Y319-V323 WeakPolarHBondContact O-CG2 3.3Å; Y319-V323 PolarHBondContact O-N 2.8Å; L321-V323 PolarHBondContact O-N 3.18Å; V323-K329 HydrophobicContact CG1-CB 4.3Å; V323-K329 HydrophobicContact CG1-CD 3.94Å; V323-K329 HydrophobicContact CG1-CG 4.18Å; V323-K329 WeakPolarHBondContact O-CD 3.34Å; V323-K329 WeakPolarHBondContact O-CE 3.38Å; V323-K329 PolarHBondContact O-NZ 2.94Å
324	Q	73.6	Confident	81.2	Confident	91 Å²	91	29.3 Å²	29.3	43%	0.425	15%	0.149	S	C	.	.	H	α-helix	trans	-67	-44.1	169.5	-178.9	167.8	-75	0	0	111.9	F320 L321 F322	F320-Q324 PolarHBondContact O-N 2.87Å; L321-Q324 WeakPolarHBondContact O-CB 3.42Å; L321-Q324 PolarHBondContact O-N 2.73Å; L321-Q324 VanDerWaalsContact O-N 3.15Å; F322-Q324 PolarHBondContact O-N 3.36Å
325	F	77.8	Confident	81.3	Confident	27 Å²	27	34 Å²	34	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-92.7	-30.5	-172.7	-72	-80.7	0	0	0	114.6	L321 F322 S327 L332 I339 F340 E344	L321-F325 HydrophobicContact CD1-CD2 4.2Å; L321-F325 HydrophobicContact CD1-CE2 3.9Å; L321-F325 WeakPolarHBondContact O-CD2 3.5Å; F322-F325 PolarHBondContact O-N 2.73Å; F325-S327 PolarHBondContact O-N 3.18Å; F325-L332 HydrophobicContact CB-CD2 3.86Å; F325-I339 HydrophobicContact CD1-CG2 4.11Å; F325-I339 HydrophobicContact CE1-CG2 4.2Å; F325-F340 HydrophobicContact CB-CB 4.39Å; F325-F340 HydrophobicContact CD1-CB 4.04Å; F325-F340 HydrophobicContact CD2-CB 4.5Å; F325-F340 AromaticContact CD2-CD2 3.73Å; F325-F340 HydrophobicContact CD2-CD2 3.73Å; F325-F340 AromaticContact CE2-CD2 3.88Å; F325-F340 HydrophobicContact CE2-CD2 3.88Å; F325-F340 HydrophobicContact CG-CB 4.02Å; F325-F340 HydrophobicContact CG-CD2 4.11Å; F325-F340 HydrophobicContact CZ-CD2 4.38Å; F325-E344 HydrophobicContact CE1-CG 3.97Å; F325-E344 HydrophobicContact CE2-CG 3.66Å; F325-E344 HydrophobicContact CZ-CG 3.21Å
326	S	79.5	Confident	81.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.007	16%	0.163	C	C	.	.			trans	-62.2	132.5	176.4	173.6	0	0	0	0	111.3	F322 N328 K329 F331 L332 D336	F322-S326 WeakPolarHBondContact O-CB 3.38Å; F322-S326 PolarHBondContact O-N 2.83Å; S326-N328 PolarHBondContact OG-N 3.45Å; S326-N328 PolarHBondContact OG-OD1 3.34Å; S326-K329 WeakPolarHBondContact O-CD 3.39Å; S326-K329 WeakPolarHBondContact O-CE 3.32Å; S326-K329 PolarHBondContact O-NZ 2.89Å; S326-K329 WeakPolarHBondContact OG-CA 3.45Å; S326-K329 PolarHBondContact OG-N 3.37Å; S326-F331 WeakPolarHBondContact CB-O 3.22Å; S326-F331 PolarHBondContact OG-O 3.49Å; S326-L332 VanDerWaalsContact N-CD2 3.26Å; S326-D336 WeakPolarHBondContact CA-OD2 3.44Å
327	S	72.1	Confident	81.8	Confident	83 Å²	83	31.2 Å²	31.2	58%	0.58	16%	0.157	S	C	*	.	S	Bend	trans	-72.5	-32.1	173.8	-75.8	0	0	0	0	112.2	F325 D336	F325-S327 PolarHBondContact O-N 3.18Å; S327-D336 WeakPolarHBondContact CB-OD1 3.32Å; S327-D336 PolarHBondContact N-OD1 2.99Å; S327-D336 PolarHBondContact N-OD2 3.17Å; S327-D336 PolarHBondContact OG-OD1 3.39Å
328	N	72.1	Confident	81.8	Confident	38 Å²	38	30.9 Å²	30.9	20%	0.203	16%	0.156	C	C	.	.	S	Bend	trans	-106.6	-10.2	-175.4	61.1	48.5	0	0	0	115.5	Y226 S326 E330 F331	Y226-N328 VanDerWaalsContact OH-CA 3.32Å; Y226-N328 WeakPolarHBondContact OH-CA 3.34Å; Y226-N328 PolarHBondContact OH-O 2.93Å; S326-N328 PolarHBondContact OG-N 3.45Å; S326-N328 PolarHBondContact OG-OD1 3.34Å; N328-E330 VanDerWaalsContact C-N 3.28Å; N328-E330 PolarHBondContact O-N 2.87Å; N328-E330 WeakPolarHBondContact OD1-CA 3.12Å; N328-E330 PolarHBondContact OD1-N 3Å; N328-F331 WeakPolarHBondContact ND2-CD2 3.4Å; N328-F331 VanDerWaalsContact ND2-CE1 3.33Å; N328-F331 WeakPolarHBondContact ND2-CE1 3.24Å; N328-F331 WeakPolarHBondContact ND2-CE2 3.14Å; N328-F331 WeakPolarHBondContact ND2-CZ 3.44Å; N328-F331 PolarHBondContact OD1-N 3.01Å; N328-F331 PolarHBondContact OD1-O 3.42Å
329	K	74.9	Confident	81.4	Confident	34 Å²	34	32.7 Å²	32.7	15%	0.148	17%	0.165	C	C	.	.	S	Bend	trans	70.6	9.4	-179	-41.9	-39.6	-170.1	178.2	0	115.7	V110 Y222 V323 S326	V110-K329 HydrophobicContact CG2-CB 4.25Å; Y222-K329 HydrophobicContact CD2-CB 4.47Å; Y222-K329 HydrophobicContact CD2-CG 3.94Å; Y222-K329 HydrophobicContact CE2-CB 4.49Å; Y222-K329 HydrophobicContact CE2-CG 4.34Å; V323-K329 HydrophobicContact CG1-CB 4.3Å; V323-K329 HydrophobicContact CG1-CD 3.94Å; V323-K329 HydrophobicContact CG1-CG 4.18Å; V323-K329 WeakPolarHBondContact O-CD 3.34Å; V323-K329 WeakPolarHBondContact O-CE 3.38Å; V323-K329 PolarHBondContact O-NZ 2.94Å; S326-K329 WeakPolarHBondContact O-CD 3.39Å; S326-K329 WeakPolarHBondContact O-CE 3.32Å; S326-K329 PolarHBondContact O-NZ 2.89Å; S326-K329 WeakPolarHBondContact OG-CA 3.45Å; S326-K329 PolarHBondContact OG-N 3.37Å
330	E	75.8	Confident	81.3	Confident	82 Å²	82	32.2 Å²	32.2	38%	0.383	16%	0.164	S	C	.	.	S	Bend	trans	-114.8	-31.4	174.2	-61.9	-163.5	149.4	0	0	113.8	S237 F322 N328	S237-E330 WeakPolarHBondContact CA-OE1 3.5Å; S237-E330 WeakPolarHBondContact CB-OE1 3.42Å; F322-E330 WeakPolarHBondContact CZ-O 3.49Å; N328-E330 VanDerWaalsContact C-N 3.28Å; N328-E330 PolarHBondContact O-N 2.87Å; N328-E330 WeakPolarHBondContact OD1-CA 3.12Å; N328-E330 PolarHBondContact OD1-N 3Å
331	F	85.4	Confident	81.6	Confident	28 Å²	28	31.2 Å²	31.2	12%	0.123	16%	0.159	C	C	.	.			trans	-149.2	156.1	176.1	59.6	-96.1	0	0	0	112.4	S326 N328 D333 W373 L374	S326-F331 WeakPolarHBondContact CB-O 3.22Å; S326-F331 PolarHBondContact OG-O 3.49Å; N328-F331 WeakPolarHBondContact ND2-CD2 3.4Å; N328-F331 VanDerWaalsContact ND2-CE1 3.33Å; N328-F331 WeakPolarHBondContact ND2-CE1 3.24Å; N328-F331 WeakPolarHBondContact ND2-CE2 3.14Å; N328-F331 WeakPolarHBondContact ND2-CZ 3.44Å; N328-F331 PolarHBondContact OD1-N 3.01Å; N328-F331 PolarHBondContact OD1-O 3.42Å; F331-D333 HydrophobicContact CE2-CB 4.35Å; F331-W373 HydrophobicContact CB-CB 4.09Å; F331-W373 HydrophobicContact CD1-CD2 4.12Å; F331-W373 AromaticContact CD1-CE3 3.95Å; F331-W373 HydrophobicContact CD1-CE3 3.95Å; F331-W373 HydrophobicContact CD1-CG 4.42Å; F331-W373 HydrophobicContact CD1-CZ3 4.42Å; F331-W373 HydrophobicContact CD2-CB 3.69Å; F331-W373 AromaticContact CD2-CD1 3.67Å; F331-W373 AromaticContact CD2-CD2 3.88Å; F331-W373 HydrophobicContact CD2-CD2 3.88Å; F331-W373 AromaticContact CD2-CG 3.47Å; F331-W373 HydrophobicContact CD2-CG 3.47Å; F331-W373 VanDerWaalsContact CD2-CG 3.47Å; F331-W373 AromaticContact CE1-CD2 3.79Å; F331-W373 HydrophobicContact CE1-CD2 3.79Å; F331-W373 AromaticContact CE1-CE3 3.67Å; F331-W373 HydrophobicContact CE1-CE3 3.67Å; F331-W373 HydrophobicContact CE1-CG 4.42Å; F331-W373 HydrophobicContact CE1-CH2 4.02Å; F331-W373 HydrophobicContact CE1-CZ2 4.16Å; F331-W373 AromaticContact CE1-CZ3 3.79Å; F331-W373 HydrophobicContact CE1-CZ3 3.79Å; F331-W373 HydrophobicContact CE2-CB 4.22Å; F331-W373 AromaticContact CE2-CD1 3.35Å; F331-W373 AromaticContact CE2-CD2 3.54Å; F331-W373 HydrophobicContact CE2-CD2 3.54Å; F331-W373 AromaticContact CE2-CE2 3.49Å; F331-W373 VanDerWaalsContact CE2-CE2 3.49Å; F331-W373 HydrophobicContact CE2-CE3 4.29Å; F331-W373 AromaticContact CE2-CG 3.47Å; F331-W373 HydrophobicContact CE2-CG 3.47Å; F331-W373 VanDerWaalsContact CE2-CG 3.47Å; F331-W373 HydrophobicContact CE2-CZ2 4.19Å; F331-W373 AromaticContact CE2-NE1 3.4Å; F331-W373 HydrophobicContact CG-CB 3.91Å; F331-W373 HydrophobicContact CG-CD2 4.15Å; F331-W373 HydrophobicContact CG-CE3 4.37Å; F331-W373 AromaticContact CG-CG 3.97Å; F331-W373 HydrophobicContact CG-CG 3.97Å; F331-W373 AromaticContact CZ-CD2 3.47Å; F331-W373 HydrophobicContact CZ-CD2 3.47Å; F331-W373 VanDerWaalsContact CZ-CD2 3.47Å; F331-W373 AromaticContact CZ-CE2 3.31Å; F331-W373 AromaticContact CZ-CE3 3.85Å; F331-W373 HydrophobicContact CZ-CE3 3.85Å; F331-W373 AromaticContact CZ-CG 3.96Å; F331-W373 HydrophobicContact CZ-CG 3.96Å; F331-W373 AromaticContact CZ-CH2 3.9Å; F331-W373 HydrophobicContact CZ-CH2 3.9Å; F331-W373 AromaticContact CZ-CZ2 3.56Å; F331-W373 HydrophobicContact CZ-CZ2 3.56Å; F331-W373 HydrophobicContact CZ-CZ3 4.04Å; F331-W373 AromaticContact CZ-NE1 3.72Å; F331-L374 CarbonylContact C-O 3.56Å; F331-L374 VanDerWaalsContact CA-O 3.28Å; F331-L374 WeakPolarHBondContact CA-O 3.36Å; F331-L374 WeakPolarHBondContact CB-O 3.38Å
332	L	88.6	Confident	81.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-88.7	127.9	163	-53.6	171.9	0	0	0	108.1	F322 F325 S326 D336 L337 W373 L374 F379	F322-L332 HydrophobicContact CD2-CD1 4.16Å; F322-L332 HydrophobicContact CD2-CD2 4.39Å; F322-L332 HydrophobicContact CD2-CG 3.95Å; F322-L332 HydrophobicContact CE2-CD1 4.41Å; F322-L332 HydrophobicContact CE2-CG 3.89Å; F325-L332 HydrophobicContact CB-CD2 3.86Å; S326-L332 VanDerWaalsContact N-CD2 3.26Å; L332-D336 HydrophobicContact CB-CB 3.99Å; L332-D336 HydrophobicContact CD2-CB 3.94Å; L332-L337 HydrophobicContact CB-CB 4.31Å; L332-L337 HydrophobicContact CD1-CD1 4.25Å; L332-W373 WeakPolarHBondContact O-CA 3.42Å; L332-L374 HydrophobicContact CB-CB 4.23Å; L332-L374 HydrophobicContact CD1-CD2 4.37Å; L332-L374 PolarHBondContact N-O 3.12Å; L332-L374 PolarHBondContact O-N 3.07Å; L332-F379 HydrophobicContact CD1-CD2 3.51Å; L332-F379 HydrophobicContact CD1-CE2 3.8Å; L332-F379 HydrophobicContact CD1-CG 4.23Å
333	D	89.6	Confident	80.6	Confident	52 Å²	52	32.6 Å²	32.6	28%	0.278	17%	0.167	S	C	.	.			trans	-82.1	-177.4	165	81.5	4.4	0	0	0	111.5	F331 K335 D336 L337	F331-D333 HydrophobicContact CE2-CB 4.35Å; D333-K335 PolarHBondContact O-N 3.47Å; D333-K335 VanDerWaalsContact O-N 3.13Å; D333-K335 WeakPolarHBondContact OD1-CA 3.31Å; D333-K335 WeakPolarHBondContact OD1-CB 3.3Å; D333-K335 PolarHBondContact OD1-N 2.71Å; D333-D336 PolarHBondContact O-N 2.88Å; D333-D336 PolarHBondContact OD1-N 3.15Å; D333-L337 VanDerWaalsContact O-CB 3.25Å; D333-L337 WeakPolarHBondContact O-CB 3.45Å; D333-L337 PolarHBondContact O-N 3.34Å
334	T	88.8	Confident	80.7	Confident	23 Å²	23	33.7 Å²	33.7	14%	0.141	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-21.7	179.8	57.6	0	0	0	0	113.9	M338 S355 L356 I359	T334-M338 VanDerWaalsContact O-CB 3.24Å; T334-M338 WeakPolarHBondContact O-CB 3.34Å; T334-M338 PolarHBondContact O-N 3.05Å; T334-S355 VanDerWaalsContact O-CB 3.28Å; T334-S355 WeakPolarHBondContact O-CB 3.36Å; T334-S355 PolarHBondContact O-OG 2.92Å; T334-L356 HydrophobicContact CG2-CD2 3.5Å; T334-L356 HydrophobicContact CG2-CG 3.66Å; T334-I359 HydrophobicContact CG2-CD1 3.93Å
335	K	85.1	Confident	81.2	Confident	100 Å²	100	29.3 Å²	29.3	44%	0.435	15%	0.151	S	C	.	.	H	α-helix	trans	-96.6	-42.3	-177.4	-67.4	165.9	-177	165.7	0	111.3	D333 L337 M338 I339 E352	D333-K335 PolarHBondContact O-N 3.47Å; D333-K335 VanDerWaalsContact O-N 3.13Å; D333-K335 WeakPolarHBondContact OD1-CA 3.31Å; D333-K335 WeakPolarHBondContact OD1-CB 3.3Å; D333-K335 PolarHBondContact OD1-N 2.71Å; K335-L337 PolarHBondContact O-N 3Å; K335-M338 PolarHBondContact O-N 2.87Å; K335-I339 WeakPolarHBondContact O-CD1 3.48Å; K335-I339 VanDerWaalsContact O-CG1 3.24Å; K335-I339 WeakPolarHBondContact O-CG1 3.48Å; K335-I339 PolarHBondContact O-N 2.96Å; K335-E352 VanDerWaalsContact CE-CD 3.46Å; K335-E352 WeakPolarHBondContact CE-OE1 3.37Å; K335-E352 WeakPolarHBondContact CE-OE2 3.25Å; K335-E352 IonicContact NZ-OE1 3.36Å
336	D	86.2	Confident	81	Confident	8 Å²	8	29.1 Å²	29.1	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-54.6	-44.6	168.8	-70.2	-18.8	0	0	0	110.1	S326 S327 L332 D333 F340	S326-D336 WeakPolarHBondContact CA-OD2 3.44Å; S327-D336 WeakPolarHBondContact CB-OD1 3.32Å; S327-D336 PolarHBondContact N-OD1 2.99Å; S327-D336 PolarHBondContact N-OD2 3.17Å; S327-D336 PolarHBondContact OG-OD1 3.39Å; L332-D336 HydrophobicContact CB-CB 3.99Å; L332-D336 HydrophobicContact CD2-CB 3.94Å; D333-D336 PolarHBondContact O-N 2.88Å; D333-D336 PolarHBondContact OD1-N 3.15Å; D336-F340 PolarHBondContact O-N 2.77Å; D336-F340 VanDerWaalsContact O-N 3.15Å
337	L	89.6	Confident	80.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.9	-45.3	177.4	-178.6	57.2	0	0	0	112.5	L332 D333 K335 I339 F340 L341 V358 I359 L374	L332-L337 HydrophobicContact CB-CB 4.31Å; L332-L337 HydrophobicContact CD1-CD1 4.25Å; D333-L337 VanDerWaalsContact O-CB 3.25Å; D333-L337 WeakPolarHBondContact O-CB 3.45Å; D333-L337 PolarHBondContact O-N 3.34Å; K335-L337 PolarHBondContact O-N 3Å; L337-I339 VanDerWaalsContact C-N 3.27Å; L337-I339 PolarHBondContact O-N 3.31Å; L337-F340 HydrophobicContact CD1-CD1 4.32Å; L337-F340 WeakPolarHBondContact O-CB 3.31Å; L337-F340 PolarHBondContact O-N 2.98Å; L337-F340 VanDerWaalsContact O-N 3.09Å; L337-L341 HydrophobicContact CD1-CD1 4.27Å; L337-L341 HydrophobicContact CD1-CD2 4.35Å; L337-L341 HydrophobicContact CD1-CG 4.05Å; L337-L341 HydrophobicContact CG-CD1 4.06Å; L337-L341 HydrophobicContact CG-CG 4.3Å; L337-L341 WeakPolarHBondContact O-CG 3.34Å; L337-L341 PolarHBondContact O-N 3.06Å; L337-V358 HydrophobicContact CD2-CB 4.11Å; L337-V358 HydrophobicContact CD2-CG1 3.87Å; L337-I359 HydrophobicContact CD2-CD1 4.01Å; L337-I359 HydrophobicContact CD2-CG1 3.76Å; L337-L374 HydrophobicContact CD1-CD2 4.11Å; L337-L374 HydrophobicContact CD2-CD2 4.05Å
338	M	83.7	Confident	80.7	Confident	23 Å²	23	30.8 Å²	30.8	11%	0.113	17%	0.166	C	C	.	.	H	α-helix	trans	-55.7	-43.6	175.4	-178.7	178	69.3	0	0	111.5	T334 K335 F340 L341 E342 V350 E352 S355	T334-M338 VanDerWaalsContact O-CB 3.24Å; T334-M338 WeakPolarHBondContact O-CB 3.34Å; T334-M338 PolarHBondContact O-N 3.05Å; K335-M338 PolarHBondContact O-N 2.87Å; M338-F340 PolarHBondContact O-N 3.44Å; M338-L341 PolarHBondContact O-N 3.01Å; M338-E342 WeakPolarHBondContact CG-OE2 3.43Å; M338-E342 WeakPolarHBondContact O-CG 3.47Å; M338-E342 PolarHBondContact O-N 3.36Å; M338-V350 HydrophobicContact CB-CG1 4.4Å; M338-V350 HydrophobicContact CG-CB 4.27Å; M338-V350 HydrophobicContact CG-CG1 3.9Å; M338-E352 HydrophobicContact SD-CG 4.31Å; M338-S355 WeakPolarHBondContact CA-OG 3.49Å; M338-S355 WeakPolarHBondContact CB-OG 3.4Å; M338-S355 PolarHBondContact N-OG 2.93Å
339	I	78.5	Confident	80.6	Confident	40 Å²	40	38 Å²	38	21%	0.205	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-45.2	175.7	-68.6	163.7	0	0	0	111	F325 K335 L337 A343 L934	F325-I339 HydrophobicContact CD1-CG2 4.11Å; F325-I339 HydrophobicContact CE1-CG2 4.2Å; K335-I339 WeakPolarHBondContact O-CD1 3.48Å; K335-I339 VanDerWaalsContact O-CG1 3.24Å; K335-I339 WeakPolarHBondContact O-CG1 3.48Å; K335-I339 PolarHBondContact O-N 2.96Å; L337-I339 VanDerWaalsContact C-N 3.27Å; L337-I339 PolarHBondContact O-N 3.31Å; I339-A343 WeakPolarHBondContact O-CB 3.21Å; I339-A343 PolarHBondContact O-N 3.29Å; I339-L934 HydrophobicContact CG2-CD1 4.27Å
340	F	84	Confident	80.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-44	176.9	172.3	-103.8	0	0	0	113	L321 F325 D336 L337 M338 E344 Q345 F379 Y382 L383 F829	L321-F340 HydrophobicContact CD1-CE2 4.16Å; L321-F340 HydrophobicContact CD2-CE2 4.17Å; L321-F340 HydrophobicContact CD2-CZ 4.45Å; L321-F340 HydrophobicContact CG-CE2 4.29Å; F325-F340 HydrophobicContact CB-CB 4.39Å; F325-F340 HydrophobicContact CD1-CB 4.04Å; F325-F340 HydrophobicContact CD2-CB 4.5Å; F325-F340 AromaticContact CD2-CD2 3.73Å; F325-F340 HydrophobicContact CD2-CD2 3.73Å; F325-F340 AromaticContact CE2-CD2 3.88Å; F325-F340 HydrophobicContact CE2-CD2 3.88Å; F325-F340 HydrophobicContact CG-CB 4.02Å; F325-F340 HydrophobicContact CG-CD2 4.11Å; F325-F340 HydrophobicContact CZ-CD2 4.38Å; D336-F340 PolarHBondContact O-N 2.77Å; D336-F340 VanDerWaalsContact O-N 3.15Å; L337-F340 HydrophobicContact CD1-CD1 4.32Å; L337-F340 WeakPolarHBondContact O-CB 3.31Å; L337-F340 PolarHBondContact O-N 2.98Å; L337-F340 VanDerWaalsContact O-N 3.09Å; M338-F340 PolarHBondContact O-N 3.44Å; F340-E344 HydrophobicContact CD2-CB 3.91Å; F340-E344 HydrophobicContact CD2-CG 3.86Å; F340-E344 HydrophobicContact CE2-CB 3.87Å; F340-E344 HydrophobicContact CE2-CG 4.15Å; F340-E344 PolarHBondContact O-N 3.01Å; F340-Q345 HydrophobicContact CD1-CG 4.21Å; F340-Q345 HydrophobicContact CE1-CG 3.62Å; F340-Q345 HydrophobicContact CZ-CG 3.92Å; F340-Q345 PolarHBondContact O-N 3.02Å; F340-F379 AromaticContact CD1-CE2 3.78Å; F340-F379 HydrophobicContact CD1-CE2 3.78Å; F340-F379 HydrophobicContact CD1-CZ 4.42Å; F340-F379 HydrophobicContact CD2-CE2 4.46Å; F340-F379 HydrophobicContact CD2-CZ 4.39Å; F340-F379 AromaticContact CE1-CE2 3.5Å; F340-F379 HydrophobicContact CE1-CE2 3.5Å; F340-F379 VanDerWaalsContact CE1-CE2 3.5Å; F340-F379 AromaticContact CE1-CZ 3.93Å; F340-F379 HydrophobicContact CE1-CZ 3.93Å; F340-F379 HydrophobicContact CE2-CE2 4.23Å; F340-F379 AromaticContact CE2-CZ 3.91Å; F340-F379 HydrophobicContact CE2-CZ 3.91Å; F340-F379 HydrophobicContact CG-CE2 4.24Å; F340-F379 AromaticContact CZ-CE2 3.74Å; F340-F379 HydrophobicContact CZ-CE2 3.74Å; F340-F379 AromaticContact CZ-CZ 3.64Å; F340-F379 HydrophobicContact CZ-CZ 3.64Å; F340-Y382 HydrophobicContact CE1-CE1 4.06Å; F340-L383 HydrophobicContact CZ-CD2 4.17Å; F340-F829 HydrophobicContact CE2-CD2 4.04Å; F340-F829 HydrophobicContact CE2-CE2 4.49Å; F340-F829 HydrophobicContact CZ-CD2 4.38Å
341	L	85.1	Confident	81	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-41.7	-179.3	-66.4	175.8	0	0	0	111.8	L337 M338 Q345 G346 M347 V350 V358 Y382	L337-L341 HydrophobicContact CD1-CD1 4.27Å; L337-L341 HydrophobicContact CD1-CD2 4.35Å; L337-L341 HydrophobicContact CD1-CG 4.05Å; L337-L341 HydrophobicContact CG-CD1 4.06Å; L337-L341 HydrophobicContact CG-CG 4.3Å; L337-L341 WeakPolarHBondContact O-CG 3.34Å; L337-L341 PolarHBondContact O-N 3.06Å; M338-L341 PolarHBondContact O-N 3.01Å; L341-Q345 HydrophobicContact CD2-CG 4.31Å; L341-Q345 CarbonylContact O-C 3.54Å; L341-Q345 WeakPolarHBondContact O-CB 3.31Å; L341-G346 PolarHBondContact O-N 3.17Å; L341-M347 HydrophobicContact CB-SD 4.11Å; L341-M347 HydrophobicContact CD2-CE 4.3Å; L341-M347 HydrophobicContact CD2-SD 3.94Å; L341-M347 HydrophobicContact CG-SD 4.43Å; L341-M347 WeakPolarHBondContact O-CB 3.36Å; L341-M347 PolarHBondContact O-N 2.77Å; L341-V350 HydrophobicContact CB-CG1 4.1Å; L341-V350 HydrophobicContact CB-CG2 4.06Å; L341-V350 HydrophobicContact CD1-CG1 3.92Å; L341-V358 HydrophobicContact CD1-CG2 4.43Å; L341-Y382 HydrophobicContact CD2-CE1 3.94Å; L341-Y382 HydrophobicContact CD2-CE2 4.45Å; L341-Y382 VanDerWaalsContact CD2-OH 3.27Å; L341-Y382 WeakPolarHBondContact CD2-OH 3.38Å
342	E	75.1	Confident	81	Confident	37 Å²	37	37.9 Å²	37.9	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-78.4	-42.6	178	-65.9	179.3	82.6	0	0	113.6	M338 V350 K930	M338-E342 WeakPolarHBondContact CG-OE2 3.43Å; M338-E342 WeakPolarHBondContact O-CG 3.47Å; M338-E342 PolarHBondContact O-N 3.36Å; E342-V350 HydrophobicContact CG-CB 3.65Å; E342-V350 HydrophobicContact CG-CG2 3.55Å; E342-K930 IonicContact OE1-NZ 2.75Å; E342-K930 PolarHBondContact OE1-NZ 2.9Å; E342-K930 IonicContact OE2-NZ 2.75Å; E342-K930 PolarHBondContact OE2-NZ 3.49Å
343	A	71.1	Confident	81	Confident	10 Å²	10	42.9 Å²	42.9	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-80.6	-41.4	-171.2	0	0	0	0	0	112.9	I339 Q931	I339-A343 WeakPolarHBondContact O-CB 3.21Å; I339-A343 PolarHBondContact O-N 3.29Å; A343-Q931 HydrophobicContact CB-CG 3.98Å; A343-Q931 PolarHBondContact O-NE2 2.63Å
344	E	79	Confident	81	Confident	30 Å²	30	43 Å²	43	14%	0.14	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-44.9	-173.6	-49.6	-57.1	121.8	0	0	112.4	F325 F340 G346 G828 F829 Q931	F325-E344 HydrophobicContact CE1-CG 3.97Å; F325-E344 HydrophobicContact CE2-CG 3.66Å; F325-E344 HydrophobicContact CZ-CG 3.21Å; F340-E344 HydrophobicContact CD2-CB 3.91Å; F340-E344 HydrophobicContact CD2-CG 3.86Å; F340-E344 HydrophobicContact CE2-CB 3.87Å; F340-E344 HydrophobicContact CE2-CG 4.15Å; F340-E344 PolarHBondContact O-N 3.01Å; E344-G346 PolarHBondContact O-N 2.86Å; E344-G828 WeakPolarHBondContact O-CA 3.33Å; E344-F829 HydrophobicContact CB-CD2 4.14Å; E344-F829 HydrophobicContact CB-CE2 4.04Å; E344-F829 HydrophobicContact CG-CE2 4.33Å; E344-Q931 PolarHBondContact OE1-NE2 2.88Å
345	Q	82.4	Confident	81.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-76.1	-8.2	177.8	-64	-71.4	-47.6	0	0	113.4	F340 L341 M347 C388 F829 R830	F340-Q345 HydrophobicContact CD1-CG 4.21Å; F340-Q345 HydrophobicContact CE1-CG 3.62Å; F340-Q345 HydrophobicContact CZ-CG 3.92Å; F340-Q345 PolarHBondContact O-N 3.02Å; L341-Q345 HydrophobicContact CD2-CG 4.31Å; L341-Q345 CarbonylContact O-C 3.54Å; L341-Q345 WeakPolarHBondContact O-CB 3.31Å; Q345-M347 VanDerWaalsContact C-N 3.26Å; Q345-M347 HydrophobicContact CB-CE 4.47Å; Q345-M347 HydrophobicContact CB-CG 4.19Å; Q345-M347 PolarHBondContact O-N 3.37Å; Q345-C388 PolarHBondContact OE1-SG 3.04Å; Q345-C388 VanDerWaalsContact OE1-SG 3.33Å; Q345-F829 PolarHBondContact NE2-O 2.83Å; Q345-F829 PolarHBondContact OE1-O 2.84Å; Q345-R830 PolarHBondContact O-NH2 3.49Å
346	G	73.9	Confident	81.5	Confident	23 Å²	23	39.7 Å²	39.7	24%	0.237	22%	0.22	C	C	.	.			trans	71.3	15.3	176.9	0	0	0	0	0	114.7	L341 E344	L341-G346 PolarHBondContact O-N 3.17Å; E344-G346 PolarHBondContact O-N 2.86Å
347	M	77.8	Confident	81.9	Confident	57 Å²	57	44.7 Å²	44.7	28%	0.281	25%	0.247	S	C	.	.			trans	-70.6	136.3	-178.5	-62.8	-172.8	174.1	0	0	111.2	L341 Q345 V350 Y382	L341-M347 HydrophobicContact CB-SD 4.11Å; L341-M347 HydrophobicContact CD2-CE 4.3Å; L341-M347 HydrophobicContact CD2-SD 3.94Å; L341-M347 HydrophobicContact CG-SD 4.43Å; L341-M347 WeakPolarHBondContact O-CB 3.36Å; L341-M347 PolarHBondContact O-N 2.77Å; Q345-M347 VanDerWaalsContact C-N 3.26Å; Q345-M347 HydrophobicContact CB-CE 4.47Å; Q345-M347 HydrophobicContact CB-CG 4.19Å; Q345-M347 PolarHBondContact O-N 3.37Å; M347-V350 HydrophobicContact CB-CG2 3.49Å; M347-V350 VanDerWaalsContact CB-CG2 3.49Å; M347-Y382 WeakPolarHBondContact CE-OH 2.92Å
348	A	67.8	Low	82.2	Confident	61 Å²	61	45.1 Å²	45.1	50%	0.504	25%	0.249	S	C	.	.	S	Bend	trans	-94.7	146.7	176.4	0	0	0	0	0	111.2	V350	A348-V350 VanDerWaalsContact C-N 3.27Å; A348-V350 PolarHBondContact O-N 2.97Å
349	Q	71.1	Confident	82.7	Confident	189 Å²	189	44 Å²	44	88%	0.883	24%	0.244	S	C	*	.	S	Bend	trans	58.9	29.3	171.9	-55.2	-179.1	-10.9	0	0	115.3
350	V	76.6	Confident	83.5	Confident	16 Å²	16	46.8 Å²	46.8	10%	0.097	26%	0.256	C	S	.	.			trans	-60.7	135.7	175	-173.5	0	0	0	0	110.3	M338 L341 E342 M347 A348 T354	M338-V350 HydrophobicContact CB-CG1 4.4Å; M338-V350 HydrophobicContact CG-CB 4.27Å; M338-V350 HydrophobicContact CG-CG1 3.9Å; L341-V350 HydrophobicContact CB-CG1 4.1Å; L341-V350 HydrophobicContact CB-CG2 4.06Å; L341-V350 HydrophobicContact CD1-CG1 3.92Å; E342-V350 HydrophobicContact CG-CB 3.65Å; E342-V350 HydrophobicContact CG-CG2 3.55Å; M347-V350 HydrophobicContact CB-CG2 3.49Å; M347-V350 VanDerWaalsContact CB-CG2 3.49Å; A348-V350 VanDerWaalsContact C-N 3.27Å; A348-V350 PolarHBondContact O-N 2.97Å; V350-T354 HydrophobicContact CG1-CG2 3.98Å
351	S	82.8	Confident	84.1	Confident	41 Å²	41	52.9 Å²	52.9	29%	0.287	28%	0.282	S	S	.	.			trans	-110.9	170.7	171.9	79.7	0	0	0	0	112.3	D353 T354 S355	S351-D353 PolarHBondContact O-N 3.43Å; S351-D353 WeakPolarHBondContact OG-CB 3.19Å; S351-D353 PolarHBondContact OG-N 2.9Å; S351-D353 VanDerWaalsContact OG-N 3.09Å; S351-D353 PolarHBondContact OG-OD2 3.18Å; S351-T354 PolarHBondContact N-OG1 2.8Å; S351-T354 WeakPolarHBondContact O-CB 3.38Å; S351-T354 PolarHBondContact O-N 3.19Å; S351-T354 VanDerWaalsContact O-N 3.15Å; S351-T354 PolarHBondContact OG-N 3.18Å; S351-T354 VanDerWaalsContact OG-N 3.14Å; S351-T354 PolarHBondContact OG-OG1 3.29Å; S351-S355 PolarHBondContact O-N 3.14Å; S351-S355 VanDerWaalsContact O-N 3.15Å; S351-S355 PolarHBondContact O-OG 2.83Å
352	E	84.4	Confident	84.6	Confident	86 Å²	86	54.4 Å²	54.4	40%	0.402	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-30.9	168.3	-65.9	-172	-151.3	0	0	110.8	K335 M338 S355 L356	K335-E352 VanDerWaalsContact CE-CD 3.46Å; K335-E352 WeakPolarHBondContact CE-OE1 3.37Å; K335-E352 WeakPolarHBondContact CE-OE2 3.25Å; K335-E352 IonicContact NZ-OE1 3.36Å; M338-E352 HydrophobicContact SD-CG 4.31Å; E352-S355 WeakPolarHBondContact O-CB 3.5Å; E352-S355 PolarHBondContact O-N 3.36Å; E352-L356 WeakPolarHBondContact O-CG 3.36Å; E352-L356 PolarHBondContact O-N 3.43Å
353	D	88.8	Confident	85.6	Confident	105 Å²	105	52.8 Å²	52.8	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-68.4	-38.3	172.7	-38.7	-80.6	0	0	0	112.5	S351 S355 L356 N357	S351-D353 PolarHBondContact O-N 3.43Å; S351-D353 WeakPolarHBondContact OG-CB 3.19Å; S351-D353 PolarHBondContact OG-N 2.9Å; S351-D353 VanDerWaalsContact OG-N 3.09Å; S351-D353 PolarHBondContact OG-OD2 3.18Å; D353-S355 PolarHBondContact O-N 2.89Å; D353-L356 PolarHBondContact O-N 2.69Å; D353-N357 WeakPolarHBondContact O-CB 3.5Å; D353-N357 PolarHBondContact O-N 3.38Å; D353-N357 PolarHBondContact O-ND2 3.26Å
354	T	88.8	Confident	86.5	Confident	53 Å²	53	54 Å²	54	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-57.5	-43.9	172	-45.9	0	0	0	0	110.2	V350 S351 N357 V358	V350-T354 HydrophobicContact CG1-CG2 3.98Å; S351-T354 PolarHBondContact N-OG1 2.8Å; S351-T354 WeakPolarHBondContact O-CB 3.38Å; S351-T354 PolarHBondContact O-N 3.19Å; S351-T354 VanDerWaalsContact O-N 3.15Å; S351-T354 PolarHBondContact OG-N 3.18Å; S351-T354 VanDerWaalsContact OG-N 3.14Å; S351-T354 PolarHBondContact OG-OG1 3.29Å; T354-N357 PolarHBondContact O-N 3.14Å; T354-V358 PolarHBondContact O-N 3.09Å; T354-V358 VanDerWaalsContact O-N 3.12Å
355	S	92.1	Very high	87.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-42.8	178.8	-57.1	0	0	0	0	112	T334 M338 S351 E352 D353 N357 V358 I359	T334-S355 VanDerWaalsContact O-CB 3.28Å; T334-S355 WeakPolarHBondContact O-CB 3.36Å; T334-S355 PolarHBondContact O-OG 2.92Å; M338-S355 WeakPolarHBondContact CA-OG 3.49Å; M338-S355 WeakPolarHBondContact CB-OG 3.4Å; M338-S355 PolarHBondContact N-OG 2.93Å; S351-S355 PolarHBondContact O-N 3.14Å; S351-S355 VanDerWaalsContact O-N 3.15Å; S351-S355 PolarHBondContact O-OG 2.83Å; E352-S355 WeakPolarHBondContact O-CB 3.5Å; E352-S355 PolarHBondContact O-N 3.36Å; D353-S355 PolarHBondContact O-N 2.89Å; S355-N357 VanDerWaalsContact C-N 3.35Å; S355-N357 PolarHBondContact O-N 3.31Å; S355-V358 PolarHBondContact O-N 3.39Å; S355-I359 WeakPolarHBondContact O-CD1 3.49Å; S355-I359 WeakPolarHBondContact O-CG1 3.39Å; S355-I359 PolarHBondContact O-N 2.97Å
356	L	93.5	Very high	87.4	Confident	55 Å²	55	59.2 Å²	59.2	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-41.7	173.2	-76.3	170.1	0	0	0	112.5	T334 E352 D353 V358 I359 H360	T334-L356 HydrophobicContact CG2-CD2 3.5Å; T334-L356 HydrophobicContact CG2-CG 3.66Å; E352-L356 WeakPolarHBondContact O-CG 3.36Å; E352-L356 PolarHBondContact O-N 3.43Å; D353-L356 PolarHBondContact O-N 2.69Å; L356-V358 PolarHBondContact O-N 3.01Å; L356-I359 PolarHBondContact O-N 3.37Å; L356-H360 PolarHBondContact O-CD2 3.02Å; L356-H360 PolarHBondContact O-N 3.36Å
357	N	94.1	Very high	88.2	Confident	112 Å²	112	61.8 Å²	61.8	60%	0.599	32%	0.316	S	S	*	.	H	α-helix	trans	-63.4	-39.9	176.7	-75.8	-57.5	0	0	0	112.1	D353 T354 S355 K361	D353-N357 WeakPolarHBondContact O-CB 3.5Å; D353-N357 PolarHBondContact O-N 3.38Å; D353-N357 PolarHBondContact O-ND2 3.26Å; T354-N357 PolarHBondContact O-N 3.14Å; S355-N357 VanDerWaalsContact C-N 3.35Å; S355-N357 PolarHBondContact O-N 3.31Å; N357-K361 WeakPolarHBondContact O-CB 3.31Å; N357-K361 PolarHBondContact O-N 3.42Å
358	V	94.9	Very high	88.8	Confident	9 Å²	9	59 Å²	59	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-45.1	172.4	169.6	0	0	0	0	110.8	L337 L341 T354 S355 L356 K361 Y362 Y382	L337-V358 HydrophobicContact CD2-CB 4.11Å; L337-V358 HydrophobicContact CD2-CG1 3.87Å; L341-V358 HydrophobicContact CD1-CG2 4.43Å; T354-V358 PolarHBondContact O-N 3.09Å; T354-V358 VanDerWaalsContact O-N 3.12Å; S355-V358 PolarHBondContact O-N 3.39Å; L356-V358 PolarHBondContact O-N 3.01Å; V358-K361 PolarHBondContact O-N 3.28Å; V358-Y362 HydrophobicContact CG1-CD2 4.04Å; V358-Y362 WeakPolarHBondContact O-CD2 3.26Å; V358-Y362 PolarHBondContact O-N 2.8Å; V358-Y382 HydrophobicContact CG1-CD2 3.56Å; V358-Y382 HydrophobicContact CG1-CE2 3.99Å; V358-Y382 HydrophobicContact CG1-CG 4.03Å; V358-Y382 HydrophobicContact CG2-CD2 4.47Å; V358-Y382 HydrophobicContact CG2-CE2 4.19Å
359	I	95.6	Very high	89.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-55.1	177.3	-68.8	152.7	0	0	0	111.1	T334 L337 S355 L356 K361 Y362 E363 G372 L374	T334-I359 HydrophobicContact CG2-CD1 3.93Å; L337-I359 HydrophobicContact CD2-CD1 4.01Å; L337-I359 HydrophobicContact CD2-CG1 3.76Å; S355-I359 WeakPolarHBondContact O-CD1 3.49Å; S355-I359 WeakPolarHBondContact O-CG1 3.39Å; S355-I359 PolarHBondContact O-N 2.97Å; L356-I359 PolarHBondContact O-N 3.37Å; I359-K361 PolarHBondContact O-N 2.69Å; I359-K361 VanDerWaalsContact O-N 3.1Å; I359-Y362 PolarHBondContact O-N 2.91Å; I359-E363 HydrophobicContact CG2-CB 4.2Å; I359-E363 WeakPolarHBondContact O-CB 3.48Å; I359-E363 PolarHBondContact O-N 3.44Å; I359-G372 WeakPolarHBondContact CD1-O 3.49Å; I359-L374 HydrophobicContact CG1-CB 4.07Å
360	H	95.3	Very high	90.9	Very high	99 Å²	99	57.6 Å²	57.6	46%	0.458	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-24.4	-179.5	-71.9	-54.3	0	0	0	114	L356 Q369	L356-H360 PolarHBondContact O-CD2 3.02Å; L356-H360 PolarHBondContact O-N 3.36Å; H360-Q369 PolarHBondContact CE1-O 2.76Å; H360-Q369 PolarHBondContact ND1-O 3.18Å
361	K	95.7	Very high	91.6	Very high	127 Å²	127	61.5 Å²	61.5	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-89.9	-32	-177.9	-173.9	174.3	178.7	-172	0	114.2	N357 V358 I359 E387	N357-K361 WeakPolarHBondContact O-CB 3.31Å; N357-K361 PolarHBondContact O-N 3.42Å; V358-K361 PolarHBondContact O-N 3.28Å; I359-K361 PolarHBondContact O-N 2.69Å; I359-K361 VanDerWaalsContact O-N 3.1Å; K361-E387 IonicContact NZ-OE1 2.72Å; K361-E387 PolarHBondContact NZ-OE1 3.33Å
362	Y	95.8	Very high	92	Very high	33 Å²	33	59.9 Å²	59.9	13%	0.129	30%	0.295	C	S	.	.	H	α-helix	trans	-118.8	-21.2	-169.7	-64.4	-68.2	0	0	0	115.1	V358 I359 P364 G378 N381 Y382 S385 E387	V358-Y362 HydrophobicContact CG1-CD2 4.04Å; V358-Y362 WeakPolarHBondContact O-CD2 3.26Å; V358-Y362 PolarHBondContact O-N 2.8Å; I359-Y362 PolarHBondContact O-N 2.91Å; Y362-P364 WeakPolarHBondContact O-CD 3.43Å; Y362-G378 WeakPolarHBondContact O-CA 3.48Å; Y362-N381 HydrophobicContact CD1-CB 4.29Å; Y362-N381 PolarHBondContact O-ND2 3.18Å; Y362-Y382 AromaticContact CD2-CD2 3.76Å; Y362-Y382 HydrophobicContact CD2-CD2 3.76Å; Y362-Y382 HydrophobicContact CD2-CG 4.44Å; Y362-Y382 AromaticContact CE2-CD2 3.78Å; Y362-Y382 HydrophobicContact CE2-CD2 3.78Å; Y362-Y382 HydrophobicContact CE2-CE2 4.49Å; Y362-S385 WeakPolarHBondContact OH-CB 3.24Å; Y362-E387 PolarHBondContact OH-OE1 3.42Å; Y362-E387 VanDerWaalsContact OH-OE1 3.05Å
363	E	95.5	Very high	92.4	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.014	29%	0.29	C	S	.	.			trans	-69.7	122	177	176.7	49.2	-141.9	0	0	111.2	I359 S365 Q369 W373 L374 S375	I359-E363 HydrophobicContact CG2-CB 4.2Å; I359-E363 WeakPolarHBondContact O-CB 3.48Å; I359-E363 PolarHBondContact O-N 3.44Å; E363-S365 WeakPolarHBondContact OE1-CB 3.47Å; E363-S365 PolarHBondContact OE1-N 3.12Å; E363-Q369 HydrophobicContact CB-CG 4.04Å; E363-Q369 HydrophobicContact CG-CG 4.14Å; E363-Q369 PolarHBondContact O-NE2 2.89Å; E363-W373 WeakPolarHBondContact CG-O 3.22Å; E363-L374 HydrophobicContact CB-CD1 3.91Å; E363-S375 VanDerWaalsContact CD-OG 3.29Å; E363-S375 PolarHBondContact OE1-OG 2.93Å; E363-S375 VanDerWaalsContact OE2-CB 3.24Å; E363-S375 WeakPolarHBondContact OE2-CB 3.33Å; E363-S375 PolarHBondContact OE2-N 2.9Å; E363-S375 PolarHBondContact OE2-OG 3.5Å
364	P	91.8	Very high	92.7	Very high	36 Å²	36	54.3 Å²	54.3	23%	0.234	26%	0.263	C	S	.	.			trans	-81.5	-19.5	-179.5	34.5	-38.7	0	0	0	113.9	W245 Y362 D377	W245-P364 HydrophobicContact CD2-CB 4.38Å; W245-P364 HydrophobicContact CD2-CG 4.1Å; W245-P364 HydrophobicContact CE3-CG 4.44Å; W245-P364 HydrophobicContact CH2-CB 4.47Å; W245-P364 HydrophobicContact CH2-CG 4.16Å; W245-P364 HydrophobicContact CZ2-CB 3.65Å; W245-P364 HydrophobicContact CZ2-CG 3.78Å; W245-P364 HydrophobicContact CZ3-CG 4.47Å; Y362-P364 WeakPolarHBondContact O-CD 3.43Å; P364-D377 HydrophobicContact CG-CB 4.2Å
365	S	90.9	Very high	92.8	Very high	5 Å²	5	52 Å²	52	4%	0.035	25%	0.248	C	C	.	.			trans	-80.9	124.7	176.1	-175.6	0	0	0	0	112.4	L241 E363 E367 G368 Q369	L241-S365 WeakPolarHBondContact CD1-OG 3.45Å; E363-S365 WeakPolarHBondContact OE1-CB 3.47Å; E363-S365 PolarHBondContact OE1-N 3.12Å; S365-E367 PolarHBondContact O-N 3.19Å; S365-E367 PolarHBondContact OG-N 2.97Å; S365-G368 PolarHBondContact O-N 2.86Å; S365-G368 PolarHBondContact OG-N 2.72Å; S365-Q369 WeakPolarHBondContact O-CG 3.22Å; S365-Q369 PolarHBondContact O-N 3.12Å
366	K	89.3	Confident	92.7	Very high	134 Å²	134	52.6 Å²	52.6	58%	0.583	25%	0.252	S	S	*	.	H	α-helix	trans	-56.5	-34.1	171.9	-62	163.9	-169.9	153.8	0	111.3	E252 L370	E252-K366 IonicContact OE1-NZ 2.69Å; E252-K366 PolarHBondContact OE1-NZ 3.39Å; E252-K366 VanDerWaalsContact OE1-NZ 3.08Å; K366-L370 VanDerWaalsContact O-CG 3.28Å; K366-L370 WeakPolarHBondContact O-CG 3.41Å; K366-L370 PolarHBondContact O-N 2.75Å
367	E	90.1	Very high	92.6	Very high	76 Å²	76	50.4 Å²	50.4	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-71.2	-41.9	175.3	-178.7	-179.4	-166.6	0	0	112	L241 S365 L370 K371	L241-E367 HydrophobicContact CD1-CB 3.92Å; L241-E367 HydrophobicContact CD1-CG 4.04Å; S365-E367 PolarHBondContact O-N 3.19Å; S365-E367 PolarHBondContact OG-N 2.97Å; E367-L370 PolarHBondContact O-N 2.91Å; E367-K371 HydrophobicContact CG-CD 3.95Å; E367-K371 WeakPolarHBondContact O-CB 3.14Å; E367-K371 WeakPolarHBondContact O-CG 3.37Å; E367-K371 PolarHBondContact O-N 3.12Å; E367-K371 WeakPolarHBondContact OE1-CE 3.16Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 2.87Å
368	G	89.9	Confident	92.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-46	177.3	0	0	0	0	0	111.9	S365 L370 K371 G372 W373	S365-G368 PolarHBondContact O-N 2.86Å; S365-G368 PolarHBondContact OG-N 2.72Å; G368-L370 PolarHBondContact O-N 3.5Å; G368-K371 PolarHBondContact O-N 3.29Å; G368-G372 PolarHBondContact O-N 3.19Å; G368-W373 CarbonylContact C-O 3.58Å; G368-W373 WeakPolarHBondContact CA-O 3.4Å; G368-W373 PolarHBondContact O-N 3.5Å
369	Q	91.9	Very high	92.5	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-55.7	-46.3	173	-68.4	177.2	8	0	0	112.4	H360 E363 S365 K371	H360-Q369 PolarHBondContact CE1-O 2.76Å; H360-Q369 PolarHBondContact ND1-O 3.18Å; E363-Q369 HydrophobicContact CB-CG 4.04Å; E363-Q369 HydrophobicContact CG-CG 4.14Å; E363-Q369 PolarHBondContact O-NE2 2.89Å; S365-Q369 WeakPolarHBondContact O-CG 3.22Å; S365-Q369 PolarHBondContact O-N 3.12Å; Q369-K371 VanDerWaalsContact C-N 3.32Å; Q369-K371 PolarHBondContact O-N 2.98Å
370	L	91.5	Very high	92.4	Very high	153 Å²	153	45.7 Å²	45.7	80%	0.801	22%	0.216	S	C	*	.	H	α-helix	trans	-69.9	-25.4	-179.1	-75.1	170.6	0	0	0	113.8	K366 E367 G368	K366-L370 VanDerWaalsContact O-CG 3.28Å; K366-L370 WeakPolarHBondContact O-CG 3.41Å; K366-L370 PolarHBondContact O-N 2.75Å; E367-L370 PolarHBondContact O-N 2.91Å; G368-L370 PolarHBondContact O-N 3.5Å
371	K	90	Very high	92.3	Very high	98 Å²	98	44.3 Å²	44.3	43%	0.426	21%	0.212	S	C	.	.	H	α-helix	trans	-97.8	-8.7	-178.7	-69.1	-178.6	174.8	178.6	0	114.5	E367 G368 Q369 W373	E367-K371 HydrophobicContact CG-CD 3.95Å; E367-K371 WeakPolarHBondContact O-CB 3.14Å; E367-K371 WeakPolarHBondContact O-CG 3.37Å; E367-K371 PolarHBondContact O-N 3.12Å; E367-K371 WeakPolarHBondContact OE1-CE 3.16Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 2.87Å; G368-K371 PolarHBondContact O-N 3.29Å; Q369-K371 VanDerWaalsContact C-N 3.32Å; Q369-K371 PolarHBondContact O-N 2.98Å; K371-W373 HydrophobicContact CB-CD2 3.66Å; K371-W373 HydrophobicContact CB-CE3 4.13Å; K371-W373 HydrophobicContact CB-CG 3.86Å; K371-W373 HydrophobicContact CB-CZ2 4.4Å; K371-W373 HydrophobicContact CD-CD2 3.95Å; K371-W373 HydrophobicContact CD-CE3 3.63Å; K371-W373 HydrophobicContact CD-CH2 3.63Å; K371-W373 HydrophobicContact CD-CZ2 3.9Å; K371-W373 HydrophobicContact CD-CZ3 3.47Å; K371-W373 VanDerWaalsContact CD-CZ3 3.47Å; K371-W373 HydrophobicContact CG-CD2 4.48Å; K371-W373 PolarHBondContact O-NE1 3.34Å
372	G	91.5	Very high	92.3	Very high	7 Å²	7	38.2 Å²	38.2	7%	0.072	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	37.7	-173.3	0	0	0	0	0	112.7	I359 G368	I359-G372 WeakPolarHBondContact CD1-O 3.49Å; G368-G372 PolarHBondContact O-N 3.19Å
373	W	93.4	Very high	92.2	Very high	75 Å²	75	36.7 Å²	36.7	28%	0.284	18%	0.18	S	C	.	.			trans	-118.2	122.4	-176.9	-61.6	-10	0	0	0	110.7	F331 L332 E363 G368 K371	F331-W373 HydrophobicContact CB-CB 4.09Å; F331-W373 HydrophobicContact CD1-CD2 4.12Å; F331-W373 AromaticContact CD1-CE3 3.95Å; F331-W373 HydrophobicContact CD1-CE3 3.95Å; F331-W373 HydrophobicContact CD1-CG 4.42Å; F331-W373 HydrophobicContact CD1-CZ3 4.42Å; F331-W373 HydrophobicContact CD2-CB 3.69Å; F331-W373 AromaticContact CD2-CD1 3.67Å; F331-W373 AromaticContact CD2-CD2 3.88Å; F331-W373 HydrophobicContact CD2-CD2 3.88Å; F331-W373 AromaticContact CD2-CG 3.47Å; F331-W373 HydrophobicContact CD2-CG 3.47Å; F331-W373 VanDerWaalsContact CD2-CG 3.47Å; F331-W373 AromaticContact CE1-CD2 3.79Å; F331-W373 HydrophobicContact CE1-CD2 3.79Å; F331-W373 AromaticContact CE1-CE3 3.67Å; F331-W373 HydrophobicContact CE1-CE3 3.67Å; F331-W373 HydrophobicContact CE1-CG 4.42Å; F331-W373 HydrophobicContact CE1-CH2 4.02Å; F331-W373 HydrophobicContact CE1-CZ2 4.16Å; F331-W373 AromaticContact CE1-CZ3 3.79Å; F331-W373 HydrophobicContact CE1-CZ3 3.79Å; F331-W373 HydrophobicContact CE2-CB 4.22Å; F331-W373 AromaticContact CE2-CD1 3.35Å; F331-W373 AromaticContact CE2-CD2 3.54Å; F331-W373 HydrophobicContact CE2-CD2 3.54Å; F331-W373 AromaticContact CE2-CE2 3.49Å; F331-W373 VanDerWaalsContact CE2-CE2 3.49Å; F331-W373 HydrophobicContact CE2-CE3 4.29Å; F331-W373 AromaticContact CE2-CG 3.47Å; F331-W373 HydrophobicContact CE2-CG 3.47Å; F331-W373 VanDerWaalsContact CE2-CG 3.47Å; F331-W373 HydrophobicContact CE2-CZ2 4.19Å; F331-W373 AromaticContact CE2-NE1 3.4Å; F331-W373 HydrophobicContact CG-CB 3.91Å; F331-W373 HydrophobicContact CG-CD2 4.15Å; F331-W373 HydrophobicContact CG-CE3 4.37Å; F331-W373 AromaticContact CG-CG 3.97Å; F331-W373 HydrophobicContact CG-CG 3.97Å; F331-W373 AromaticContact CZ-CD2 3.47Å; F331-W373 HydrophobicContact CZ-CD2 3.47Å; F331-W373 VanDerWaalsContact CZ-CD2 3.47Å; F331-W373 AromaticContact CZ-CE2 3.31Å; F331-W373 AromaticContact CZ-CE3 3.85Å; F331-W373 HydrophobicContact CZ-CE3 3.85Å; F331-W373 AromaticContact CZ-CG 3.96Å; F331-W373 HydrophobicContact CZ-CG 3.96Å; F331-W373 AromaticContact CZ-CH2 3.9Å; F331-W373 HydrophobicContact CZ-CH2 3.9Å; F331-W373 AromaticContact CZ-CZ2 3.56Å; F331-W373 HydrophobicContact CZ-CZ2 3.56Å; F331-W373 HydrophobicContact CZ-CZ3 4.04Å; F331-W373 AromaticContact CZ-NE1 3.72Å; L332-W373 WeakPolarHBondContact O-CA 3.42Å; E363-W373 WeakPolarHBondContact CG-O 3.22Å; G368-W373 CarbonylContact C-O 3.58Å; G368-W373 WeakPolarHBondContact CA-O 3.4Å; G368-W373 PolarHBondContact O-N 3.5Å; K371-W373 HydrophobicContact CB-CD2 3.66Å; K371-W373 HydrophobicContact CB-CE3 4.13Å; K371-W373 HydrophobicContact CB-CG 3.86Å; K371-W373 HydrophobicContact CB-CZ2 4.4Å; K371-W373 HydrophobicContact CD-CD2 3.95Å; K371-W373 HydrophobicContact CD-CE3 3.63Å; K371-W373 HydrophobicContact CD-CH2 3.63Å; K371-W373 HydrophobicContact CD-CZ2 3.9Å; K371-W373 HydrophobicContact CD-CZ3 3.47Å; K371-W373 VanDerWaalsContact CD-CZ3 3.47Å; K371-W373 HydrophobicContact CG-CD2 4.48Å; K371-W373 PolarHBondContact O-NE1 3.34Å
374	L	94.1	Very high	92	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-94.1	117.1	173.6	-163.5	61.1	0	0	0	110.3	F331 L332 L337 I359 E363 G378 F379	F331-L374 CarbonylContact C-O 3.56Å; F331-L374 VanDerWaalsContact CA-O 3.28Å; F331-L374 WeakPolarHBondContact CA-O 3.36Å; F331-L374 WeakPolarHBondContact CB-O 3.38Å; L332-L374 HydrophobicContact CB-CB 4.23Å; L332-L374 HydrophobicContact CD1-CD2 4.37Å; L332-L374 PolarHBondContact N-O 3.12Å; L332-L374 PolarHBondContact O-N 3.07Å; L337-L374 HydrophobicContact CD1-CD2 4.11Å; L337-L374 HydrophobicContact CD2-CD2 4.05Å; I359-L374 HydrophobicContact CG1-CB 4.07Å; E363-L374 HydrophobicContact CB-CD1 3.91Å; L374-G378 VanDerWaalsContact CD1-C 3.49Å; L374-F379 HydrophobicContact CD2-CB 4.19Å; L374-F379 HydrophobicContact CD2-CD2 4.25Å; L374-F379 HydrophobicContact CG-CB 4.33Å
375	S	92.4	Very high	92.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	20%	0.197	C	C	.	.			trans	-72.5	171.8	172.5	69	0	0	0	0	112	E363 D377 G378 F379	E363-S375 VanDerWaalsContact CD-OG 3.29Å; E363-S375 PolarHBondContact OE1-OG 2.93Å; E363-S375 VanDerWaalsContact OE2-CB 3.24Å; E363-S375 WeakPolarHBondContact OE2-CB 3.33Å; E363-S375 PolarHBondContact OE2-N 2.9Å; E363-S375 PolarHBondContact OE2-OG 3.5Å; S375-D377 VanDerWaalsContact C-N 3.3Å; S375-D377 PolarHBondContact O-N 3.28Å; S375-G378 PolarHBondContact O-N 3.37Å; S375-G378 PolarHBondContact OG-N 2.89Å; S375-G378 VanDerWaalsContact OG-N 3.07Å; S375-F379 WeakPolarHBondContact O-CB 3.36Å; S375-F379 PolarHBondContact O-N 3.48Å
376	L	89.5	Confident	92	Very high	13 Å²	13	44 Å²	44	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-35.9	174.5	-179.3	62.9	0	0	0	112.9	T314 I318 Y319 F322 S380	T314-L376 HydrophobicContact CG2-CD2 3.94Å; I318-L376 HydrophobicContact CG2-CD1 4.23Å; Y319-L376 HydrophobicContact CD2-CD2 3.85Å; F322-L376 HydrophobicContact CB-CD1 3.66Å; F322-L376 HydrophobicContact CD1-CB 4.4Å; F322-L376 HydrophobicContact CD1-CD1 3.9Å; F322-L376 HydrophobicContact CD2-CD1 4.15Å; F322-L376 HydrophobicContact CE1-CB 4.17Å; F322-L376 HydrophobicContact CE2-CB 4.36Å; F322-L376 HydrophobicContact CG-CD1 3.67Å; F322-L376 HydrophobicContact CZ-CB 4.12Å; L376-S380 WeakPolarHBondContact O-CB 3.24Å; L376-S380 PolarHBondContact O-N 3.11Å; L376-S380 PolarHBondContact O-OG 3.01Å
377	D	90.5	Very high	92	Very high	10 Å²	10	41 Å²	41	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-73.8	-38.9	176.6	-54.9	-74.5	0	0	0	110.8	R242 W245 F309 P364 S375 F379 S380 N381	R242-D377 WeakPolarHBondContact CD-OD2 3.37Å; R242-D377 VanDerWaalsContact CG-OD2 3.3Å; R242-D377 WeakPolarHBondContact CG-OD2 3.03Å; R242-D377 IonicContact CZ-OD1 3.56Å; R242-D377 IonicContact CZ-OD2 2.59Å; R242-D377 IonicContact NE-OD1 2.81Å; R242-D377 PolarHBondContact NE-OD1 3.48Å; R242-D377 IonicContact NE-OD2 2.89Å; R242-D377 PolarHBondContact NE-OD2 2.86Å; R242-D377 IonicContact NH2-OD1 3.82Å; R242-D377 PolarHBondContact NH2-OD1 3.48Å; R242-D377 IonicContact NH2-OD2 3.2Å; W245-D377 HydrophobicContact CH2-CB 4.27Å; W245-D377 HydrophobicContact CZ3-CB 4.04Å; W245-D377 WeakPolarHBondContact CZ3-OD2 3.3Å; F309-D377 WeakPolarHBondContact CE1-OD1 3.38Å; P364-D377 HydrophobicContact CG-CB 4.2Å; S375-D377 VanDerWaalsContact C-N 3.3Å; S375-D377 PolarHBondContact O-N 3.28Å; D377-F379 VanDerWaalsContact C-N 3.34Å; D377-F379 PolarHBondContact O-N 3.03Å; D377-S380 CarbonylContact O-C 3.49Å; D377-S380 WeakPolarHBondContact O-CB 3.37Å; D377-S380 PolarHBondContact O-N 3.33Å; D377-N381 WeakPolarHBondContact O-CB 3.05Å; D377-N381 PolarHBondContact O-N 3.2Å; D377-N381 PolarHBondContact O-ND2 3.43Å; D377-N381 PolarHBondContact O-OD1 3.33Å
378	G	93.7	Very high	92.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-40.5	172	0	0	0	0	0	113	Y362 L374 S375 N381 Y382	Y362-G378 WeakPolarHBondContact O-CA 3.48Å; L374-G378 VanDerWaalsContact CD1-C 3.49Å; S375-G378 PolarHBondContact O-N 3.37Å; S375-G378 PolarHBondContact OG-N 2.89Å; S375-G378 VanDerWaalsContact OG-N 3.07Å; G378-N381 WeakPolarHBondContact O-CB 3.47Å; G378-N381 PolarHBondContact O-N 3.1Å; G378-Y382 PolarHBondContact O-N 3.14Å
379	F	94.7	Very high	92.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-38.6	173	-175.5	-111.6	0	0	0	112.2	I318 L321 F322 L332 F340 L374 S375 D377 Y382 L383	I318-F379 HydrophobicContact CG2-CD1 3.77Å; I318-F379 HydrophobicContact CG2-CE1 4.03Å; L321-F379 HydrophobicContact CD2-CE1 4.1Å; L321-F379 HydrophobicContact CD2-CZ 4.03Å; L321-F379 HydrophobicContact CG-CE1 4.1Å; L321-F379 HydrophobicContact CG-CZ 4.03Å; F322-F379 HydrophobicContact CB-CD1 3.8Å; F322-F379 HydrophobicContact CB-CE1 3.92Å; F322-F379 HydrophobicContact CD2-CB 3.81Å; F322-F379 AromaticContact CD2-CD1 3.91Å; F322-F379 HydrophobicContact CD2-CD1 3.91Å; F322-F379 AromaticContact CD2-CG 3.86Å; F322-F379 HydrophobicContact CD2-CG 3.86Å; F322-F379 HydrophobicContact CE2-CB 4.22Å; F322-F379 HydrophobicContact CG-CD1 4.34Å; L332-F379 HydrophobicContact CD1-CD2 3.51Å; L332-F379 HydrophobicContact CD1-CE2 3.8Å; L332-F379 HydrophobicContact CD1-CG 4.23Å; F340-F379 AromaticContact CD1-CE2 3.78Å; F340-F379 HydrophobicContact CD1-CE2 3.78Å; F340-F379 HydrophobicContact CD1-CZ 4.42Å; F340-F379 HydrophobicContact CD2-CE2 4.46Å; F340-F379 HydrophobicContact CD2-CZ 4.39Å; F340-F379 AromaticContact CE1-CE2 3.5Å; F340-F379 HydrophobicContact CE1-CE2 3.5Å; F340-F379 VanDerWaalsContact CE1-CE2 3.5Å; F340-F379 AromaticContact CE1-CZ 3.93Å; F340-F379 HydrophobicContact CE1-CZ 3.93Å; F340-F379 HydrophobicContact CE2-CE2 4.23Å; F340-F379 AromaticContact CE2-CZ 3.91Å; F340-F379 HydrophobicContact CE2-CZ 3.91Å; F340-F379 HydrophobicContact CG-CE2 4.24Å; F340-F379 AromaticContact CZ-CE2 3.74Å; F340-F379 HydrophobicContact CZ-CE2 3.74Å; F340-F379 AromaticContact CZ-CZ 3.64Å; F340-F379 HydrophobicContact CZ-CZ 3.64Å; L374-F379 HydrophobicContact CD2-CB 4.19Å; L374-F379 HydrophobicContact CD2-CD2 4.25Å; L374-F379 HydrophobicContact CG-CB 4.33Å; S375-F379 WeakPolarHBondContact O-CB 3.36Å; S375-F379 PolarHBondContact O-N 3.48Å; D377-F379 VanDerWaalsContact C-N 3.34Å; D377-F379 PolarHBondContact O-N 3.03Å; F379-Y382 PolarHBondContact O-N 3.48Å; F379-L383 HydrophobicContact CD1-CD1 4Å; F379-L383 HydrophobicContact CE1-CD1 3.63Å; F379-L383 HydrophobicContact CE1-CG 4.41Å; F379-L383 HydrophobicContact CZ-CD1 4.03Å; F379-L383 HydrophobicContact CZ-CG 4.45Å; F379-L383 WeakPolarHBondContact O-CG 3.42Å; F379-L383 PolarHBondContact O-N 3.18Å
380	S	92.3	Very high	92.5	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-42.1	173.5	-58.1	0	0	0	0	111.7	L376 D377 L383 M384	L376-S380 WeakPolarHBondContact O-CB 3.24Å; L376-S380 PolarHBondContact O-N 3.11Å; L376-S380 PolarHBondContact O-OG 3.01Å; D377-S380 CarbonylContact O-C 3.49Å; D377-S380 WeakPolarHBondContact O-CB 3.37Å; D377-S380 PolarHBondContact O-N 3.33Å; S380-L383 PolarHBondContact O-N 3.17Å; S380-M384 WeakPolarHBondContact O-CB 3.42Å; S380-M384 WeakPolarHBondContact O-CG 3.44Å; S380-M384 PolarHBondContact O-N 2.86Å
381	N	93.9	Very high	92.6	Very high	70 Å²	70	29.7 Å²	29.7	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-42.8	174.8	-68.2	-21.8	0	0	0	111.6	Y362 D377 G378 M384 S385	Y362-N381 HydrophobicContact CD1-CB 4.29Å; Y362-N381 PolarHBondContact O-ND2 3.18Å; D377-N381 WeakPolarHBondContact O-CB 3.05Å; D377-N381 PolarHBondContact O-N 3.2Å; D377-N381 PolarHBondContact O-ND2 3.43Å; D377-N381 PolarHBondContact O-OD1 3.33Å; G378-N381 WeakPolarHBondContact O-CB 3.47Å; G378-N381 PolarHBondContact O-N 3.1Å; N381-M384 PolarHBondContact O-N 3.03Å; N381-S385 PolarHBondContact O-N 3.29Å; N381-S385 VanDerWaalsContact O-N 3.14Å
382	Y	95.6	Very high	92.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-49.2	175	172.4	-102.2	0	0	0	111.8	F340 L341 M347 V358 Y362 G378 F379 M384 S385 E387 C388	F340-Y382 HydrophobicContact CE1-CE1 4.06Å; L341-Y382 HydrophobicContact CD2-CE1 3.94Å; L341-Y382 HydrophobicContact CD2-CE2 4.45Å; L341-Y382 VanDerWaalsContact CD2-OH 3.27Å; L341-Y382 WeakPolarHBondContact CD2-OH 3.38Å; M347-Y382 WeakPolarHBondContact CE-OH 2.92Å; V358-Y382 HydrophobicContact CG1-CD2 3.56Å; V358-Y382 HydrophobicContact CG1-CE2 3.99Å; V358-Y382 HydrophobicContact CG1-CG 4.03Å; V358-Y382 HydrophobicContact CG2-CD2 4.47Å; V358-Y382 HydrophobicContact CG2-CE2 4.19Å; Y362-Y382 AromaticContact CD2-CD2 3.76Å; Y362-Y382 HydrophobicContact CD2-CD2 3.76Å; Y362-Y382 HydrophobicContact CD2-CG 4.44Å; Y362-Y382 AromaticContact CE2-CD2 3.78Å; Y362-Y382 HydrophobicContact CE2-CD2 3.78Å; Y362-Y382 HydrophobicContact CE2-CE2 4.49Å; G378-Y382 PolarHBondContact O-N 3.14Å; F379-Y382 PolarHBondContact O-N 3.48Å; Y382-M384 VanDerWaalsContact C-N 3.26Å; Y382-M384 PolarHBondContact O-N 2.97Å; Y382-S385 WeakPolarHBondContact O-CB 3.41Å; Y382-S385 PolarHBondContact O-N 3.48Å; Y382-S385 PolarHBondContact O-OG 2.91Å; Y382-E387 HydrophobicContact CE2-CB 4.35Å; Y382-C388 WeakPolarHBondContact CE1-SG 3.35Å
383	L	94.4	Very high	92.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-30.2	177.7	-72.7	175.7	0	0	0	113.4	I318 L321 F340 F379 S380 S385 C388 F829 H831 F848	I318-L383 HydrophobicContact CD1-CD1 4.19Å; I318-L383 HydrophobicContact CG1-CD1 4.21Å; I318-L383 HydrophobicContact CG2-CD1 3.9Å; L321-L383 HydrophobicContact CD2-CD1 4.33Å; F340-L383 HydrophobicContact CZ-CD2 4.17Å; F379-L383 HydrophobicContact CD1-CD1 4Å; F379-L383 HydrophobicContact CE1-CD1 3.63Å; F379-L383 HydrophobicContact CE1-CG 4.41Å; F379-L383 HydrophobicContact CZ-CD1 4.03Å; F379-L383 HydrophobicContact CZ-CG 4.45Å; F379-L383 WeakPolarHBondContact O-CG 3.42Å; F379-L383 PolarHBondContact O-N 3.18Å; S380-L383 PolarHBondContact O-N 3.17Å; L383-S385 VanDerWaalsContact C-N 3.3Å; L383-C388 VanDerWaalsContact O-CB 3.24Å; L383-C388 WeakPolarHBondContact O-CB 3.5Å; L383-F829 HydrophobicContact CD2-CB 4.11Å; L383-H831 PolarHBondContact O-ND1 3.2Å; L383-F848 HydrophobicContact CD1-CE2 4.38Å; L383-F848 HydrophobicContact CD1-CZ 4.2Å
384	M	91.1	Very high	92.4	Very high	100 Å²	100	31.3 Å²	31.3	49%	0.493	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.9	175.7	-68.1	-71.9	-64.5	0	0	113.4	S380 N381 Y382 H831 L846	S380-M384 WeakPolarHBondContact O-CB 3.42Å; S380-M384 WeakPolarHBondContact O-CG 3.44Å; S380-M384 PolarHBondContact O-N 2.86Å; N381-M384 PolarHBondContact O-N 3.03Å; Y382-M384 VanDerWaalsContact C-N 3.26Å; Y382-M384 PolarHBondContact O-N 2.97Å; M384-H831 VanDerWaalsContact SD-CE1 3.53Å; M384-L846 HydrophobicContact CE-CD1 3.52Å; M384-L846 HydrophobicContact SD-CD1 3.93Å
385	S	92.8	Very high	92.4	Very high	17 Å²	17	32.4 Å²	32.4	12%	0.119	18%	0.18	C	C	.	.	S	Bend	trans	-79.8	169	-174.8	81.5	0	0	0	0	113.7	Y362 N381 Y382 L383 E387 C388 H389	Y362-S385 WeakPolarHBondContact OH-CB 3.24Å; N381-S385 PolarHBondContact O-N 3.29Å; N381-S385 VanDerWaalsContact O-N 3.14Å; Y382-S385 WeakPolarHBondContact O-CB 3.41Å; Y382-S385 PolarHBondContact O-N 3.48Å; Y382-S385 PolarHBondContact O-OG 2.91Å; L383-S385 VanDerWaalsContact C-N 3.3Å; S385-E387 PolarHBondContact O-N 3.45Å; S385-E387 PolarHBondContact OG-N 3.27Å; S385-E387 VanDerWaalsContact OG-N 3.16Å; S385-C388 PolarHBondContact O-N 3.12Å; S385-H389 PolarHBondContact O-N 3.47Å
386	A	90.1	Very high	92.4	Very high	80 Å²	80	37.5 Å²	37.5	66%	0.661	20%	0.202	S	C	*	.	S	Bend	trans	-66	-13	173.2	0	0	0	0	0	114.1	H389	A386-H389 WeakPolarHBondContact O-CB 3.17Å
387	E	89.6	Confident	92.6	Very high	72 Å²	72	40 Å²	40	34%	0.336	22%	0.221	S	C	.	.	S	Bend	trans	-81.5	-34.7	176.4	-69.3	164.9	-152.1	0	0	111.6	K361 Y362 Y382 S385 H389 R830	K361-E387 IonicContact NZ-OE1 2.72Å; K361-E387 PolarHBondContact NZ-OE1 3.33Å; Y362-E387 PolarHBondContact OH-OE1 3.42Å; Y362-E387 VanDerWaalsContact OH-OE1 3.05Å; Y382-E387 HydrophobicContact CE2-CB 4.35Å; S385-E387 PolarHBondContact O-N 3.45Å; S385-E387 PolarHBondContact OG-N 3.27Å; S385-E387 VanDerWaalsContact OG-N 3.16Å; E387-H389 VanDerWaalsContact C-N 3.28Å; E387-H389 PolarHBondContact O-N 3.35Å; E387-R830 PolarHBondContact O-NH1 3.04Å
388	C	92.3	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-89.8	17.3	172.2	-76	0	0	0	0	113.8	Q345 Y382 L383 S385 R830 H831	Q345-C388 PolarHBondContact OE1-SG 3.04Å; Q345-C388 VanDerWaalsContact OE1-SG 3.33Å; Y382-C388 WeakPolarHBondContact CE1-SG 3.35Å; L383-C388 VanDerWaalsContact O-CB 3.24Å; L383-C388 WeakPolarHBondContact O-CB 3.5Å; S385-C388 PolarHBondContact O-N 3.12Å; C388-R830 VanDerWaalsContact O-CA 3.29Å; C388-R830 WeakPolarHBondContact O-CA 3.21Å; C388-R830 VanDerWaalsContact O-CD 3.26Å; C388-R830 WeakPolarHBondContact O-CD 3.32Å; C388-H831 PolarHBondContact O-N 3.08Å; C388-H831 VanDerWaalsContact O-N 3.13Å
389	H	93.5	Very high	92.7	Very high	44 Å²	44	45.8 Å²	45.8	20%	0.204	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-66.5	143.5	169	-169.4	-96.7	0	0	0	110.7	S385 A386 E387 F391 R830 P833	S385-H389 PolarHBondContact O-N 3.47Å; A386-H389 WeakPolarHBondContact O-CB 3.17Å; E387-H389 VanDerWaalsContact C-N 3.28Å; E387-H389 PolarHBondContact O-N 3.35Å; H389-F391 VanDerWaalsContact CE1-CB 3.45Å; H389-F391 WeakPolarHBondContact CE1-CB 3.28Å; H389-F391 WeakPolarHBondContact ND1-CB 3.37Å; H389-F391 PolarHBondContact ND1-N 3.19Å; H389-F391 VanDerWaalsContact ND1-N 3.14Å; H389-F391 PolarHBondContact ND1-O 3.16Å; H389-R830 PolarHBondContact O-NH1 2.91Å; H389-P833 WeakPolarHBondContact NE2-CG 3.39Å
390	I	95	Very high	92.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-70.9	-32.5	-177.9	-168.8	167.5	0	0	0	114.1	F802 Y818 I820 L825 Q826 R830 H831 V832 V849 V851	I390-F802 HydrophobicContact CD1-CE2 3.83Å; I390-F802 HydrophobicContact CD1-CZ 3.86Å; I390-Y818 HydrophobicContact CG2-CD1 4.4Å; I390-Y818 HydrophobicContact CG2-CE1 3.93Å; I390-I820 HydrophobicContact CG1-CD1 4.42Å; I390-I820 HydrophobicContact CG2-CD1 4.32Å; I390-L825 HydrophobicContact CD1-CD2 3.85Å; I390-L825 HydrophobicContact CG1-CD2 3.93Å; I390-Q826 PolarHBondContact O-N 3.49Å; I390-R830 HydrophobicContact CB-CB 3.96Å; I390-R830 HydrophobicContact CB-CG 4.49Å; I390-R830 HydrophobicContact CG1-CB 4.32Å; I390-H831 PolarHBondContact N-O 2.64Å; I390-V832 HydrophobicContact CB-CG2 4.19Å; I390-V832 HydrophobicContact CD1-CG2 3.61Å; I390-V832 HydrophobicContact CG1-CG2 4.5Å; I390-V832 HydrophobicContact CG2-CB 4.3Å; I390-V832 HydrophobicContact CG2-CG1 4.15Å; I390-V832 HydrophobicContact CG2-CG2 4.01Å; I390-V849 HydrophobicContact CD1-CG2 4.08Å; I390-V851 HydrophobicContact CD1-CG2 4.04Å
391	F	94.8	Very high	92.7	Very high	13 Å²	13	50 Å²	50	6%	0.057	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-82.6	124	177.2	-172.3	-79.2	0	0	0	111.1	H389 H395 K396 R692 I820 C824	H389-F391 VanDerWaalsContact CE1-CB 3.45Å; H389-F391 WeakPolarHBondContact CE1-CB 3.28Å; H389-F391 WeakPolarHBondContact ND1-CB 3.37Å; H389-F391 PolarHBondContact ND1-N 3.19Å; H389-F391 VanDerWaalsContact ND1-N 3.14Å; H389-F391 PolarHBondContact ND1-O 3.16Å; F391-H395 HydrophobicContact CE1-CB 3.85Å; F391-H395 HydrophobicContact CZ-CB 3.95Å; F391-K396 HydrophobicContact CD1-CG 4.09Å; F391-K396 HydrophobicContact CE1-CG 3.86Å; F391-R692 HydrophobicContact CE2-CB 3.87Å; F391-R692 HydrophobicContact CZ-CB 4.1Å; F391-I820 HydrophobicContact CB-CD1 3.82Å; F391-I820 HydrophobicContact CD2-CD1 3.78Å; F391-I820 HydrophobicContact CD2-CG1 3.99Å; F391-I820 HydrophobicContact CG-CD1 4.19Å; F391-C824 HydrophobicContact CD2-CB 3.83Å; F391-C824 HydrophobicContact CE2-CB 3.67Å; F391-C824 HydrophobicContact CG-CB 4.47Å; F391-C824 HydrophobicContact CZ-CB 4.19Å
392	D	91.8	Very high	92.9	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.043	26%	0.262	C	S	.	.			trans	-53.4	128.1	-178.5	-160.4	-55.3	0	0	0	113.6	E394 C824 Q826	D392-E394 VanDerWaalsContact C-N 3.33Å; D392-E394 PolarHBondContact O-N 2.85Å; D392-E394 WeakPolarHBondContact OD1-CB 3.31Å; D392-E394 PolarHBondContact OD1-N 3.02Å; D392-C824 WeakPolarHBondContact CB-O 3.32Å; D392-C824 PolarHBondContact N-O 3.1Å; D392-Q826 HydrophobicContact CB-CG 4.03Å; D392-Q826 PolarHBondContact OD2-NE2 2.89Å
393	P	90.6	Very high	93	Very high	79 Å²	79	52.1 Å²	52.1	51%	0.513	29%	0.289	S	S	.	.	S	Bend	trans	-64.8	-29.4	176.4	27.7	-34.8	0	0	0	114.3	H395 K396	P393-H395 VanDerWaalsContact C-N 3.29Å; P393-H395 PolarHBondContact O-N 2.71Å; P393-K396 WeakPolarHBondContact O-CB 3.46Å; P393-K396 PolarHBondContact O-N 2.75Å; P393-K396 VanDerWaalsContact O-N 3.12Å
394	E	88.8	Confident	93	Very high	126 Å²	126	54.5 Å²	54.5	59%	0.589	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.8	-37	-179	-62.3	-175.5	-179.9	0	0	111.2	D392 K396 S397	D392-E394 VanDerWaalsContact C-N 3.33Å; D392-E394 PolarHBondContact O-N 2.85Å; D392-E394 WeakPolarHBondContact OD1-CB 3.31Å; D392-E394 PolarHBondContact OD1-N 3.02Å; E394-K396 PolarHBondContact O-N 3.2Å; E394-S397 PolarHBondContact O-N 3.48Å; E394-S397 PolarHBondContact O-OG 3.31Å
395	H	92.8	Very high	93.3	Very high	23 Å²	23	50.9 Å²	50.9	11%	0.106	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-74.6	-6	178.1	-72.4	-108.6	0	0	0	114.2	F391 P393 N694 G695 E823 C824	F391-H395 HydrophobicContact CE1-CB 3.85Å; F391-H395 HydrophobicContact CZ-CB 3.95Å; P393-H395 VanDerWaalsContact C-N 3.29Å; P393-H395 PolarHBondContact O-N 2.71Å; H395-N694 PolarHBondContact O-N 3.2Å; H395-G695 PolarHBondContact O-N 3.18Å; H395-E823 PolarHBondContact NE2-O 2.72Å; H395-C824 PolarHBondContact ND1-SG 3.38Å; H395-C824 VanDerWaalsContact ND1-SG 3.4Å
396	K	91.9	Very high	93.5	Very high	110 Å²	110	50.1 Å²	50.1	48%	0.478	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-77.8	-9.7	171.3	-57.9	175.9	-171.5	167.2	0	112.5	F391 P393 E394 G695	F391-K396 HydrophobicContact CD1-CG 4.09Å; F391-K396 HydrophobicContact CE1-CG 3.86Å; P393-K396 WeakPolarHBondContact O-CB 3.46Å; P393-K396 PolarHBondContact O-N 2.75Å; P393-K396 VanDerWaalsContact O-N 3.12Å; E394-K396 PolarHBondContact O-N 3.2Å; K396-G695 WeakPolarHBondContact O-CA 3.18Å
397	S	93.9	Very high	93.8	Very high	66 Å²	66	46.3 Å²	46.3	46%	0.462	25%	0.247	S	C	.	.	S	Bend	trans	-112.5	166.1	168	36.2	0	0	0	0	110.9	E394 C399 N694 G695	E394-S397 PolarHBondContact O-N 3.48Å; E394-S397 PolarHBondContact O-OG 3.31Å; S397-C399 PolarHBondContact O-N 3.3Å; S397-N694 CarbonylContact O-C 3.54Å; S397-G695 VanDerWaalsContact C-CA 3.48Å; S397-G695 PolarHBondContact O-N 2.78Å
398	V	95	Very high	94.1	Very high	72 Å²	72	43.4 Å²	43.4	44%	0.436	23%	0.234	S	C	.	.			trans	-64.8	113.8	168.7	-177.2	0	0	0	0	107.9	M402 F487 N694	V398-M402 HydrophobicContact CG1-CG 3.59Å; V398-M402 HydrophobicContact CG1-SD 4.14Å; V398-F487 HydrophobicContact CG1-CE2 4.29Å; V398-F487 HydrophobicContact CG1-CZ 4.14Å; V398-F487 HydrophobicContact CG2-CE2 3.84Å; V398-F487 HydrophobicContact CG2-CZ 4.38Å; V398-N694 WeakPolarHBondContact CA-OD1 3.01Å
399	C	91.4	Very high	94.4	Very high	60 Å²	60	43.4 Å²	43.4	41%	0.405	23%	0.234	S	C	.	.			trans	-125	-12.8	-172.5	62	0	0	0	0	113.4	S397 N694	S397-C399 PolarHBondContact O-N 3.3Å; C399-N694 PolarHBondContact N-OD1 2.95Å
400	Q	93.7	Very high	94.6	Very high	44 Å²	44	41.3 Å²	41.3	21%	0.206	22%	0.224	C	C	.	.	S	Bend	trans	-93.1	157.8	178.6	-61.9	176.1	-14.6	0	0	110.9	M402 N694 L701	Q400-M402 WeakPolarHBondContact O-CG 3.43Å; Q400-M402 PolarHBondContact O-N 2.86Å; Q400-N694 HydrophobicContact CG-CB 4.22Å; Q400-N694 PolarHBondContact N-OD1 2.87Å; Q400-L701 HydrophobicContact CB-CB 4.2Å
401	D	94.7	Very high	94.8	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	22%	0.224	S	C	.	.			trans	-63	123.8	171.6	177	22	0	0	0	110	N403 Q404 Y409 L701	D401-N403 WeakPolarHBondContact OD1-CB 3.23Å; D401-N403 PolarHBondContact OD1-N 3.33Å; D401-N403 PolarHBondContact OD1-ND2 2.93Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.37Å; D401-Q404 PolarHBondContact OD2-NE2 2.82Å; D401-Y409 WeakPolarHBondContact O-CE1 3.47Å; D401-Y409 PolarHBondContact O-OH 3.45Å; D401-L701 HydrophobicContact CB-CD2 4.32Å
402	M	97.5	Very high	95	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.054	22%	0.222	C	C	.	.			trans	-104	4.9	-178.5	-60.3	-52.4	-67.1	0	0	113.2	V398 Q400 Y409 F487 P532 S533 N694 Y699	V398-M402 HydrophobicContact CG1-CG 3.59Å; V398-M402 HydrophobicContact CG1-SD 4.14Å; Q400-M402 WeakPolarHBondContact O-CG 3.43Å; Q400-M402 PolarHBondContact O-N 2.86Å; M402-Y409 WeakPolarHBondContact CA-OH 3.34Å; M402-Y409 HydrophobicContact CE-CE1 4.22Å; M402-Y409 HydrophobicContact SD-CE1 3.97Å; M402-F487 HydrophobicContact CB-CE1 3.87Å; M402-F487 HydrophobicContact CB-CZ 4.14Å; M402-F487 HydrophobicContact CE-CD1 3.79Å; M402-F487 HydrophobicContact CE-CD2 4.18Å; M402-F487 HydrophobicContact CE-CE1 3.58Å; M402-F487 HydrophobicContact CE-CE2 3.98Å; M402-F487 HydrophobicContact CE-CG 4.09Å; M402-F487 HydrophobicContact CE-CZ 3.68Å; M402-F487 HydrophobicContact CG-CE1 3.93Å; M402-F487 HydrophobicContact CG-CZ 3.71Å; M402-F487 HydrophobicContact SD-CZ 4.4Å; M402-P532 HydrophobicContact CE-CB 3.92Å; M402-P532 HydrophobicContact CE-CG 4.33Å; M402-P532 WeakPolarHBondContact O-CD 3.38Å; M402-S533 VanDerWaalsContact O-CB 3.25Å; M402-S533 WeakPolarHBondContact O-CB 3.5Å; M402-S533 PolarHBondContact O-N 3.45Å; M402-S533 VanDerWaalsContact O-N 3.07Å; M402-N694 PolarHBondContact SD-ND2 3.48Å; M402-Y699 HydrophobicContact CE-CG 4.38Å
403	N	96.8	Very high	95.3	Very high	104 Å²	104	40.4 Å²	40.4	56%	0.556	22%	0.22	S	C	*	.			trans	-102.4	6	-175.6	-45.5	-76	0	0	0	113.1	D401 Y409 S531 S533	D401-N403 WeakPolarHBondContact OD1-CB 3.23Å; D401-N403 PolarHBondContact OD1-N 3.33Å; D401-N403 PolarHBondContact OD1-ND2 2.93Å; N403-Y409 PolarHBondContact N-OH 2.88Å; N403-S531 VanDerWaalsContact C-CB 3.47Å; N403-S533 VanDerWaalsContact OD1-CB 3.25Å; N403-S533 WeakPolarHBondContact OD1-CB 3.42Å; N403-S533 PolarHBondContact OD1-OG 3.3Å
404	Q	95.6	Very high	95.7	Very high	51 Å²	51	36.7 Å²	36.7	24%	0.238	20%	0.195	C	C	.	.	S	Bend	trans	-74.5	159.9	171	-56.2	-75.9	-56.8	0	0	110.1	D401 H408 Y409 S531 P532 L701 R707	D401-Q404 WeakPolarHBondContact OD2-CG 3.37Å; D401-Q404 PolarHBondContact OD2-NE2 2.82Å; Q404-H408 HydrophobicContact CB-CB 3.92Å; Q404-H408 PolarHBondContact OE1-ND1 2.94Å; Q404-Y409 HydrophobicContact CB-CE2 3.81Å; Q404-Y409 WeakPolarHBondContact CB-OH 3.42Å; Q404-Y409 PolarHBondContact N-OH 2.83Å; Q404-Y409 VanDerWaalsContact N-OH 3.15Å; Q404-Y409 WeakPolarHBondContact O-CE2 3.49Å; Q404-S531 WeakPolarHBondContact O-CA 3.19Å; Q404-S531 WeakPolarHBondContact O-CB 3.34Å; Q404-P532 VanDerWaalsContact O-CD 3.32Å; Q404-P532 WeakPolarHBondContact O-CD 3.35Å; Q404-L701 HydrophobicContact CB-CD1 4.13Å; Q404-L701 HydrophobicContact CG-CD1 3.76Å; Q404-R707 VanDerWaalsContact OE1-NH1 3.09Å
405	P	96.3	Very high	96	Very high	25 Å²	25	31.6 Å²	31.6	16%	0.162	17%	0.172	C	C	.	.			trans	-50	147.1	170.6	-33.2	38	0	0	0	114.8	S407 H408 Y409 Y528 L529	P405-S407 PolarHBondContact O-N 3.23Å; P405-H408 VanDerWaalsContact O-CB 3.29Å; P405-H408 WeakPolarHBondContact O-CB 3.4Å; P405-H408 PolarHBondContact O-N 3.1Å; P405-Y409 WeakPolarHBondContact O-CD2 3.42Å; P405-Y409 WeakPolarHBondContact O-CE2 3.49Å; P405-Y528 HydrophobicContact CB-CD1 3.94Å; P405-Y528 HydrophobicContact CB-CG 4.21Å; P405-Y528 HydrophobicContact CG-CD1 3.8Å; P405-Y528 HydrophobicContact CG-CG 3.78Å; P405-L529 VanDerWaalsContact CA-O 3.3Å; P405-L529 WeakPolarHBondContact CA-O 3.42Å; P405-L529 WeakPolarHBondContact CB-O 3.46Å
406	L	96.8	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-55.3	-28.9	177.5	-166.1	62.5	0	0	0	113.6	H408 I411 L529 P530 P532 L540 L645 Y699	L406-H408 PolarHBondContact O-N 3.24Å; L406-I411 HydrophobicContact CD1-CD1 4.21Å; L406-I411 HydrophobicContact CG-CD1 4.28Å; L406-L529 HydrophobicContact CB-CB 3.87Å; L406-L529 HydrophobicContact CB-CD1 4.15Å; L406-L529 HydrophobicContact CD2-CD1 4.37Å; L406-P530 WeakPolarHBondContact CB-O 3.42Å; L406-P530 PolarHBondContact N-O 3.49Å; L406-P532 HydrophobicContact CD1-CG 4.03Å; L406-L540 HydrophobicContact CD2-CD1 3.93Å; L406-L645 HydrophobicContact CD2-CD1 4.27Å; L406-Y699 HydrophobicContact CD1-CD1 4.44Å; L406-Y699 HydrophobicContact CD1-CE1 3.53Å
407	S	96.3	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.8	175	62.3	0	0	0	0	114.1	P405 K642 Q671 R702	P405-S407 PolarHBondContact O-N 3.23Å; S407-K642 WeakPolarHBondContact CB-O 3.41Å; S407-K642 PolarHBondContact OG-O 3.37Å; S407-Q671 PolarHBondContact O-NE2 2.74Å; S407-R702 PolarHBondContact O-NH1 2.91Å; S407-R702 PolarHBondContact O-NH2 3.15Å; S407-R702 VanDerWaalsContact O-NH2 3.15Å
408	H	97	Very high	96.4	Very high	12 Å²	12	23 Å²	23	6%	0.056	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-89.5	3.6	-175.1	-74.8	-172.8	0	0	0	114.8	Q404 P405 L406 Y528 K642 L701 R702 R707	Q404-H408 HydrophobicContact CB-CB 3.92Å; Q404-H408 PolarHBondContact OE1-ND1 2.94Å; P405-H408 VanDerWaalsContact O-CB 3.29Å; P405-H408 WeakPolarHBondContact O-CB 3.4Å; P405-H408 PolarHBondContact O-N 3.1Å; L406-H408 PolarHBondContact O-N 3.24Å; H408-Y528 AromaticContact NE2-CE1 3.82Å; H408-K642 PolarHBondContact CD2-O 3.49Å; H408-K642 PolarHBondContact NE2-O 3.11Å; H408-L701 HydrophobicContact CB-CD1 4.31Å; H408-R702 WeakPolarHBondContact O-CB 3.46Å; H408-R702 VanDerWaalsContact O-CG 3.31Å; H408-R702 WeakPolarHBondContact O-CG 3.4Å; H408-R702 PolarHBondContact O-N 2.79Å; H408-R707 HydrophobicContact CB-CG 3.93Å
409	Y	98.4	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.9	-178	-58.8	-96.1	0	0	0	112.4	D401 M402 N403 Q404 P405 P532 Q671 Y699 V700 L701	D401-Y409 WeakPolarHBondContact O-CE1 3.47Å; D401-Y409 PolarHBondContact O-OH 3.45Å; M402-Y409 WeakPolarHBondContact CA-OH 3.34Å; M402-Y409 HydrophobicContact CE-CE1 4.22Å; M402-Y409 HydrophobicContact SD-CE1 3.97Å; N403-Y409 PolarHBondContact N-OH 2.88Å; Q404-Y409 HydrophobicContact CB-CE2 3.81Å; Q404-Y409 WeakPolarHBondContact CB-OH 3.42Å; Q404-Y409 PolarHBondContact N-OH 2.83Å; Q404-Y409 VanDerWaalsContact N-OH 3.15Å; Q404-Y409 WeakPolarHBondContact O-CE2 3.49Å; P405-Y409 WeakPolarHBondContact O-CD2 3.42Å; P405-Y409 WeakPolarHBondContact O-CE2 3.49Å; Y409-P532 HydrophobicContact CD2-CG 3.72Å; Y409-P532 HydrophobicContact CE1-CG 4.41Å; Y409-P532 VanDerWaalsContact CE2-CD 3.47Å; Y409-P532 HydrophobicContact CE2-CG 3.53Å; Y409-P532 HydrophobicContact CG-CG 4.27Å; Y409-Q671 VanDerWaalsContact O-CB 3.22Å; Y409-Q671 WeakPolarHBondContact O-CB 3.26Å; Y409-Q671 WeakPolarHBondContact O-CG 3.45Å; Y409-Y699 HydrophobicContact CG-CD1 4.2Å; Y409-V700 CarbonylContact C-O 3.5Å; Y409-V700 VanDerWaalsContact CA-O 3.25Å; Y409-V700 WeakPolarHBondContact CA-O 3.47Å; Y409-L701 HydrophobicContact CD1-CB 4.07Å; Y409-L701 HydrophobicContact CD1-CD1 4.18Å; Y409-L701 HydrophobicContact CE1-CB 3.89Å; Y409-L701 HydrophobicContact CE1-CD1 3.73Å; Y409-L701 HydrophobicContact CE1-CG 4.39Å; Y409-L701 HydrophobicContact CE2-CD1 4.39Å
410	Y	98.6	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	139.4	153.9	-54.5	-61.2	0	0	0	108.9	W666 W690 Y699 V700 R702 L797	Y410-W666 HydrophobicContact CD1-CB 4.22Å; Y410-W666 AromaticContact CD1-CD1 3.48Å; Y410-W666 VanDerWaalsContact CD1-CD1 3.48Å; Y410-W666 AromaticContact CD1-CG 3.98Å; Y410-W666 HydrophobicContact CD1-CG 3.98Å; Y410-W666 HydrophobicContact CE1-CB 3.77Å; Y410-W666 AromaticContact CE1-CD1 3.9Å; Y410-W666 HydrophobicContact CE1-CG 4.05Å; Y410-W666 WeakPolarHBondContact CE1-O 3.41Å; Y410-W666 HydrophobicContact CG-CG 4.47Å; Y410-W666 PolarHBondContact OH-O 2.87Å; Y410-W690 AromaticContact CD2-CE2 3.96Å; Y410-W690 AromaticContact CD2-CZ2 3.8Å; Y410-W690 HydrophobicContact CD2-CZ2 3.8Å; Y410-W690 AromaticContact CD2-NE1 3.49Å; Y410-W690 AromaticContact CE2-CZ2 3.79Å; Y410-W690 HydrophobicContact CE2-CZ2 3.79Å; Y410-W690 AromaticContact CG-NE1 3.94Å; Y410-Y699 WeakPolarHBondContact O-CA 3.17Å; Y410-V700 HydrophobicContact CD2-CB 4.45Å; Y410-V700 HydrophobicContact CD2-CG1 4.39Å; Y410-V700 PolarHBondContact N-O 3.22Å; Y410-V700 PolarHBondContact O-N 3.15Å; Y410-R702 HydrophobicContact CD1-CG 4.05Å; Y410-R702 HydrophobicContact CD2-CG 3.94Å; Y410-R702 HydrophobicContact CE1-CG 3.76Å; Y410-R702 HydrophobicContact CE2-CB 4.24Å; Y410-R702 HydrophobicContact CE2-CG 3.68Å; Y410-R702 HydrophobicContact CG-CG 4.12Å; Y410-L797 HydrophobicContact CE2-CD2 4.47Å
411	I	98.8	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.7	-172	-52.1	-178.4	0	0	0	108.2	L406 A413 R442 C443 I490 L645 Q671 I672 Y699	L406-I411 HydrophobicContact CD1-CD1 4.21Å; L406-I411 HydrophobicContact CG-CD1 4.28Å; I411-A413 PolarHBondContact O-N 3.02Å; I411-R442 HydrophobicContact CG2-CB 3.8Å; I411-C443 HydrophobicContact CG2-CB 4.43Å; I411-I490 HydrophobicContact CD1-CD1 4.28Å; I411-L645 HydrophobicContact CD1-CD2 4.43Å; I411-Q671 HydrophobicContact CD1-CB 4.22Å; I411-Q671 HydrophobicContact CG1-CB 4.2Å; I411-Q671 PolarHBondContact N-O 3.01Å; I411-I672 HydrophobicContact CB-CG1 4.11Å; I411-I672 HydrophobicContact CD1-CD1 4.44Å; I411-I672 HydrophobicContact CD1-CG1 3.98Å; I411-I672 HydrophobicContact CG1-CG1 4.45Å; I411-Y699 HydrophobicContact CB-CE1 4.26Å; I411-Y699 HydrophobicContact CD1-CE1 3.74Å; I411-Y699 HydrophobicContact CG1-CD1 3.95Å; I411-Y699 HydrophobicContact CG1-CE1 3.57Å; I411-Y699 HydrophobicContact CG2-CE1 3.92Å
412	N	98.6	Very high	95.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	117.5	-176.4	-169.5	3.7	0	0	0	110.6	M439 G440 C441 R442 C443 Y677 N687 F691 G698	N412-M439 PolarHBondContact ND2-O 3.35Å; N412-G440 PolarHBondContact ND2-O 2.82Å; N412-C441 PolarHBondContact O-SG 2.65Å; N412-C441 VanDerWaalsContact O-SG 3.33Å; N412-R442 PolarHBondContact O-N 3.41Å; N412-C443 PolarHBondContact O-N 3.1Å; N412-C443 VanDerWaalsContact O-N 3.08Å; N412-Y677 PolarHBondContact ND2-OH 2.89Å; N412-Y677 PolarHBondContact OD1-OH 3.2Å; N412-N687 PolarHBondContact OD1-ND2 2.85Å; N412-F691 VanDerWaalsContact CA-CE2 3.49Å; N412-F691 VanDerWaalsContact CA-CZ 3.47Å; N412-F691 HydrophobicContact CB-CB 4.28Å; N412-F691 HydrophobicContact CB-CD1 3.7Å; N412-F691 HydrophobicContact CB-CD2 3.59Å; N412-F691 HydrophobicContact CB-CE1 3.85Å; N412-F691 HydrophobicContact CB-CE2 3.72Å; N412-F691 HydrophobicContact CB-CG 3.58Å; N412-F691 HydrophobicContact CB-CZ 3.86Å; N412-F691 VanDerWaalsContact CG-CD2 3.42Å; N412-F691 VanDerWaalsContact N-CZ 3.31Å; N412-G698 PolarHBondContact N-O 2.95Å
413	A	98.4	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.1	-165.4	0	0	0	0	0	113.1	I411 C443 I672 A674 M675	I411-A413 PolarHBondContact O-N 3.02Å; A413-C443 WeakPolarHBondContact CA-O 3.37Å; A413-C443 HydrophobicContact CB-CB 3.78Å; A413-I672 HydrophobicContact CB-CG2 3.58Å; A413-A674 HydrophobicContact CB-CB 4.2Å; A413-M675 PolarHBondContact O-N 3.34Å
414	S	98.2	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.8	172.8	171.7	0	0	0	0	110.2	T417 C441 C443 R647 M675	S414-T417 VanDerWaalsContact CB-OG1 3.22Å; S414-T417 WeakPolarHBondContact CB-OG1 3.38Å; S414-T417 WeakPolarHBondContact OG-CA 3.1Å; S414-T417 WeakPolarHBondContact OG-CB 3.17Å; S414-T417 PolarHBondContact OG-OG1 2.87Å; S414-C441 PolarHBondContact N-SG 3.03Å; S414-C443 PolarHBondContact N-O 2.98Å; S414-R647 PolarHBondContact O-NH2 2.97Å; S414-M675 CarbonylContact C-O 3.19Å; S414-M675 WeakPolarHBondContact CA-O 3.46Å
415	H	96.2	Very high	93.8	Very high	20 Å²	20	28.8 Å²	28.8	9%	0.093	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.4	164.4	174.3	-106.2	0	0	0	109	T417 E445 P650 A674 M675 N676	H415-T417 VanDerWaalsContact C-N 3.28Å; H415-T417 PolarHBondContact O-N 2.98Å; H415-T417 VanDerWaalsContact O-N 3.12Å; H415-E445 VanDerWaalsContact CA-OE2 3.24Å; H415-E445 WeakPolarHBondContact CA-OE2 2.98Å; H415-E445 IonicContact CD2-OE2 3.41Å; H415-E445 PolarHBondContact CD2-OE2 3.16Å; H415-E445 IonicContact CG-OE2 2.74Å; H415-P650 HydrophobicContact CB-CG 4.28Å; H415-A674 HydrophobicContact CB-CB 3.94Å; H415-M675 PolarHBondContact N-O 2.83Å; H415-N676 PolarHBondContact ND1-OD1 3.27Å
416	N	94.9	Very high	93.2	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	12%	0.123	C	C	.	.	S	Bend	trans	38	53.8	179.1	-70.4	-6.3	0	0	0	113.8	Y418 L419 Q423 E445	N416-Y418 HydrophobicContact CB-CE1 4.04Å; N416-Y418 PolarHBondContact O-N 3.24Å; N416-L419 HydrophobicContact CB-CD1 3.9Å; N416-L419 HydrophobicContact CB-CG 4.28Å; N416-L419 PolarHBondContact O-N 3.13Å; N416-Q423 PolarHBondContact ND2-OE1 3.14Å; N416-E445 PolarHBondContact N-OE2 3.31Å
417	T	96.9	Very high	93	Very high	5 Å²	5	30 Å²	30	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.3	-166.4	-48.8	0	0	0	0	115	S414 H415 G432 Y433 A436 V444 E445	S414-T417 VanDerWaalsContact CB-OG1 3.22Å; S414-T417 WeakPolarHBondContact CB-OG1 3.38Å; S414-T417 WeakPolarHBondContact OG-CA 3.1Å; S414-T417 WeakPolarHBondContact OG-CB 3.17Å; S414-T417 PolarHBondContact OG-OG1 2.87Å; H415-T417 VanDerWaalsContact C-N 3.28Å; H415-T417 PolarHBondContact O-N 2.98Å; H415-T417 VanDerWaalsContact O-N 3.12Å; T417-G432 CarbonylContact O-C 3.51Å; T417-G432 VanDerWaalsContact O-CA 3.3Å; T417-G432 WeakPolarHBondContact O-CA 3.32Å; T417-Y433 HydrophobicContact CG2-CD1 3.63Å; T417-Y433 HydrophobicContact CG2-CE1 3.99Å; T417-Y433 HydrophobicContact CG2-CG 4.07Å; T417-A436 HydrophobicContact CG2-CB 3.86Å; T417-V444 HydrophobicContact CG2-CB 4.02Å; T417-V444 HydrophobicContact CG2-CG1 3.95Å; T417-E445 PolarHBondContact OG1-N 2.81Å
418	Y	94.4	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.8	175.8	54	-88.9	0	0	0	114	N416 S428 D429 D447 I458 T460	N416-Y418 HydrophobicContact CB-CE1 4.04Å; N416-Y418 PolarHBondContact O-N 3.24Å; Y418-S428 WeakPolarHBondContact CD2-OG 3.45Å; Y418-S428 CarbonylContact O-C 3.5Å; Y418-S428 VanDerWaalsContact O-CA 3.26Å; Y418-S428 WeakPolarHBondContact O-CA 3.47Å; Y418-D429 PolarHBondContact O-N 3.08Å; Y418-D447 HydrophobicContact CE1-CB 3.91Å; Y418-D447 VanDerWaalsContact OH-CG 3.27Å; Y418-D447 PolarHBondContact OH-OD2 2.83Å; Y418-I458 HydrophobicContact CD1-CG2 3.47Å; Y418-I458 VanDerWaalsContact CD1-CG2 3.47Å; Y418-I458 HydrophobicContact CD2-CG2 4.17Å; Y418-I458 HydrophobicContact CE1-CG2 3.99Å; Y418-I458 HydrophobicContact CG-CG2 3.59Å; Y418-T460 WeakPolarHBondContact CE2-OG1 3.35Å; Y418-T460 WeakPolarHBondContact OH-CA 3.43Å; Y418-T460 PolarHBondContact OH-N 2.6Å; Y418-T460 PolarHBondContact OH-OG1 2.76Å
419	L	93.1	Very high	92.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-80.1	138.3	-175.5	-67	178.5	0	0	0	113.2	N416 T465	N416-L419 HydrophobicContact CB-CD1 3.9Å; N416-L419 HydrophobicContact CB-CG 4.28Å; N416-L419 PolarHBondContact O-N 3.13Å; L419-T465 HydrophobicContact CD2-CG2 3.78Å
420	I	91.1	Very high	92.7	Very high	60 Å²	60	34.5 Å²	34.5	31%	0.308	17%	0.165	S	C	.	.	S	Bend	trans	-105.3	-16.6	177.6	-50.7	-57.3	0	0	0	112.8	P427 D429 Q678	I420-P427 HydrophobicContact CB-CG 4.37Å; I420-P427 PolarHBondContact N-O 3.38Å; I420-D429 HydrophobicContact CD1-CB 4.17Å; I420-D429 HydrophobicContact CG1-CB 3.71Å; I420-Q678 VanDerWaalsContact O-CB 3.27Å; I420-Q678 WeakPolarHBondContact O-CB 3.29Å
421	E	88.6	Confident	92.5	Very high	114 Å²	114	37.9 Å²	37.9	53%	0.533	19%	0.186	S	C	.	.	S	Bend	trans	-137.7	-131.2	-179.4	-57.5	-179.7	157.9	0	0	111.2	P427 S657 Q678	E421-P427 HydrophobicContact CG-CG 4.37Å; E421-P427 VanDerWaalsContact OE2-CD 3.26Å; E421-P427 WeakPolarHBondContact OE2-CD 3.29Å; E421-S657 WeakPolarHBondContact O-CB 3.36Å; E421-S657 PolarHBondContact O-OG 2.67Å; E421-Q678 WeakPolarHBondContact O-CG 3.36Å; E421-Q678 PolarHBondContact O-NE2 3.03Å
422	D	86.9	Confident	92.4	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	19%	0.191	S	C	.	.			trans	-74	162.6	-178	80.9	73.4	0	0	0	113.7	F424 R425 G426 I655 S657	D422-F424 VanDerWaalsContact C-N 3.32Å; D422-F424 PolarHBondContact O-N 2.8Å; D422-F424 WeakPolarHBondContact OD1-CA 3.49Å; D422-F424 PolarHBondContact OD1-N 2.86Å; D422-R425 PolarHBondContact OD1-N 2.97Å; D422-G426 WeakPolarHBondContact O-CA 3.46Å; D422-G426 PolarHBondContact O-N 2.62Å; D422-G426 PolarHBondContact OD1-N 3.36Å; D422-G426 PolarHBondContact OD2-N 3.25Å; D422-I655 WeakPolarHBondContact CB-O 3.37Å; D422-S657 WeakPolarHBondContact CA-OG 3.47Å
423	Q	84.8	Confident	92.3	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.103	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.9	-174.3	-58.8	-69.7	-51.3	0	0	114.9	N416 R654 I655 S657 N676	N416-Q423 PolarHBondContact ND2-OE1 3.14Å; Q423-R654 WeakPolarHBondContact CG-O 3.41Å; Q423-I655 PolarHBondContact N-O 3.35Å; Q423-S657 PolarHBondContact NE2-OG 3.43Å; Q423-N676 PolarHBondContact NE2-OD1 2.84Å
424	F	81.9	Confident	92.3	Very high	92 Å²	92	39.8 Å²	39.8	40%	0.404	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-31.4	-169.3	-175.7	-115.3	0	0	0	114.2	D422 T463 M464 T465 I655	D422-F424 VanDerWaalsContact C-N 3.32Å; D422-F424 PolarHBondContact O-N 2.8Å; D422-F424 WeakPolarHBondContact OD1-CA 3.49Å; D422-F424 PolarHBondContact OD1-N 2.86Å; F424-T463 HydrophobicContact CD2-CG2 4.1Å; F424-M464 HydrophobicContact CZ-CG 4.41Å; F424-M464 CarbonylContact O-C 3.59Å; F424-M464 WeakPolarHBondContact O-CA 3.11Å; F424-M464 WeakPolarHBondContact O-CB 3.23Å; F424-M464 PolarHBondContact O-N 3.17Å; F424-T465 PolarHBondContact O-N 3.33Å; F424-I655 HydrophobicContact CB-CG2 3.96Å
425	R	83.3	Confident	92.1	Very high	185 Å²	185	44.4 Å²	44.4	70%	0.698	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-10.7	-179.8	-62.7	-178.4	65.6	-170.6	-3.1	113.3	D422 M464	D422-R425 PolarHBondContact OD1-N 2.97Å; R425-M464 HydrophobicContact CG-CB 4.25Å
426	G	84.5	Confident	92.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-58.3	147.7	-179.2	0	0	0	0	0	112.6	D422 T465	D422-G426 WeakPolarHBondContact O-CA 3.46Å; D422-G426 PolarHBondContact O-N 2.62Å; D422-G426 PolarHBondContact OD1-N 3.36Å; D422-G426 PolarHBondContact OD2-N 3.25Å; G426-T465 WeakPolarHBondContact O-CA 3.26Å; G426-T465 WeakPolarHBondContact O-CB 3.34Å; G426-T465 WeakPolarHBondContact O-CG2 3.19Å
427	P	91.6	Very high	92.3	Very high	50 Å²	50	42.9 Å²	42.9	33%	0.325	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-72.8	134.1	176.6	28.2	-31.1	0	0	0	110.9	I420 E421 S466	I420-P427 HydrophobicContact CB-CG 4.37Å; I420-P427 PolarHBondContact N-O 3.38Å; E421-P427 HydrophobicContact CG-CG 4.37Å; E421-P427 VanDerWaalsContact OE2-CD 3.26Å; E421-P427 WeakPolarHBondContact OE2-CD 3.29Å; P427-S466 WeakPolarHBondContact CA-OG 3.16Å
428	S	93.8	Very high	92.3	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-79.8	129.9	161.5	-51.1	0	0	0	0	109.3	Y418 S466 I468	Y418-S428 WeakPolarHBondContact CD2-OG 3.45Å; Y418-S428 CarbonylContact O-C 3.5Å; Y418-S428 VanDerWaalsContact O-CA 3.26Å; Y418-S428 WeakPolarHBondContact O-CA 3.47Å; S428-S466 WeakPolarHBondContact CB-O 3.44Å; S428-S466 PolarHBondContact N-OG 2.84Å; S428-S466 PolarHBondContact O-OG 3.05Å; S428-S466 PolarHBondContact OG-O 3.13Å; S428-I468 VanDerWaalsContact O-CG2 3.25Å; S428-I468 WeakPolarHBondContact O-CG2 3.38Å
429	D	95.4	Very high	92.3	Very high	64 Å²	64	50.7 Å²	50.7	34%	0.342	24%	0.243	S	C	.	.			trans	-147.1	148.7	177.7	-169.1	-86.4	0	0	0	112.3	Y418 I420 T431 G432	Y418-D429 PolarHBondContact O-N 3.08Å; I420-D429 HydrophobicContact CD1-CB 4.17Å; I420-D429 HydrophobicContact CG1-CB 3.71Å; D429-T431 PolarHBondContact O-N 3.19Å; D429-T431 WeakPolarHBondContact OD1-CB 3.46Å; D429-T431 WeakPolarHBondContact OD1-CG2 3.32Å; D429-T431 PolarHBondContact OD1-N 3.31Å; D429-T431 PolarHBondContact OD1-OG1 3.31Å; D429-G432 PolarHBondContact O-N 3.33Å
430	V	96.1	Very high	92.5	Very high	38 Å²	38	50.5 Å²	50.5	23%	0.23	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.2	179.4	-61.4	0	0	0	0	113.6	G432 Y433 I434 I468 V473 V476	V430-G432 PolarHBondContact O-N 3.18Å; V430-Y433 PolarHBondContact O-N 2.9Å; V430-I434 PolarHBondContact O-N 3.47Å; V430-I468 HydrophobicContact CG1-CD1 4.35Å; V430-V473 HydrophobicContact CG1-CG2 4.06Å; V430-V476 HydrophobicContact CB-CG2 4.22Å; V430-V476 HydrophobicContact CG2-CG2 4.47Å
431	T	95.3	Very high	92.8	Very high	72 Å²	72	47.6 Å²	47.6	44%	0.442	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-23.6	177	52.2	0	0	0	0	113.5	D429 I434 R435	D429-T431 PolarHBondContact O-N 3.19Å; D429-T431 WeakPolarHBondContact OD1-CB 3.46Å; D429-T431 WeakPolarHBondContact OD1-CG2 3.32Å; D429-T431 PolarHBondContact OD1-N 3.31Å; D429-T431 PolarHBondContact OD1-OG1 3.31Å; T431-I434 PolarHBondContact O-N 3.02Å; T431-R435 WeakPolarHBondContact O-CB 3.45Å; T431-R435 PolarHBondContact O-N 3.43Å
432	G	95.6	Very high	93.3	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-50.4	173.2	0	0	0	0	0	111.8	T417 D429 V430 I434 R435 A436	T417-G432 CarbonylContact O-C 3.51Å; T417-G432 VanDerWaalsContact O-CA 3.3Å; T417-G432 WeakPolarHBondContact O-CA 3.32Å; D429-G432 PolarHBondContact O-N 3.33Å; V430-G432 PolarHBondContact O-N 3.18Å; G432-I434 PolarHBondContact O-N 3.13Å; G432-R435 PolarHBondContact O-N 2.95Å; G432-A436 WeakPolarHBondContact O-CB 3.48Å; G432-A436 PolarHBondContact O-N 3.11Å
433	Y	98.1	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-39.7	172.7	-58.2	-88.1	0	0	0	112.7	T417 V430 A436 L437 V444 E445 L446 I468 V473 I477	T417-Y433 HydrophobicContact CG2-CD1 3.63Å; T417-Y433 HydrophobicContact CG2-CE1 3.99Å; T417-Y433 HydrophobicContact CG2-CG 4.07Å; V430-Y433 PolarHBondContact O-N 2.9Å; Y433-A436 PolarHBondContact O-N 3.11Å; Y433-L437 VanDerWaalsContact O-CB 3.3Å; Y433-L437 WeakPolarHBondContact O-CB 3.46Å; Y433-L437 VanDerWaalsContact O-CG 3.25Å; Y433-L437 WeakPolarHBondContact O-CG 3.33Å; Y433-L437 PolarHBondContact O-N 3.5Å; Y433-V444 HydrophobicContact CD1-CB 4.35Å; Y433-V444 HydrophobicContact CD1-CG2 4.37Å; Y433-E445 WeakPolarHBondContact CE1-O 3.48Å; Y433-E445 PolarHBondContact OH-O 3.3Å; Y433-L446 HydrophobicContact CE1-CD1 4.28Å; Y433-L446 HydrophobicContact CE1-CG 4.07Å; Y433-I468 HydrophobicContact CE2-CD1 4.19Å; Y433-V473 HydrophobicContact CD1-CG1 4.15Å; Y433-V473 HydrophobicContact CD2-CG1 3.95Å; Y433-V473 HydrophobicContact CD2-CG2 4.17Å; Y433-V473 HydrophobicContact CE1-CG1 3.77Å; Y433-V473 HydrophobicContact CE2-CB 4.27Å; Y433-V473 HydrophobicContact CE2-CG1 3.56Å; Y433-V473 HydrophobicContact CE2-CG2 3.66Å; Y433-V473 HydrophobicContact CG-CG1 4.23Å; Y433-V473 VanDerWaalsContact CZ-CG1 3.45Å; Y433-I477 HydrophobicContact CD1-CD1 4.12Å; Y433-I477 HydrophobicContact CD1-CG1 4.29Å; Y433-I477 HydrophobicContact CE1-CD1 4.32Å
434	I	97.3	Very high	94.5	Very high	33 Å²	33	38.7 Å²	38.7	17%	0.169	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-42.5	177.8	-58.9	175.2	0	0	0	110.7	V430 T431 G432 K438 V476 Y480	V430-I434 PolarHBondContact O-N 3.47Å; T431-I434 PolarHBondContact O-N 3.02Å; G432-I434 PolarHBondContact O-N 3.13Å; I434-K438 HydrophobicContact CG2-CD 4.07Å; I434-K438 VanDerWaalsContact O-CB 3.29Å; I434-K438 WeakPolarHBondContact O-CB 3.42Å; I434-K438 VanDerWaalsContact O-CG 3.23Å; I434-K438 WeakPolarHBondContact O-CG 3.39Å; I434-K438 PolarHBondContact O-N 2.94Å; I434-K438 VanDerWaalsContact O-N 3.15Å; I434-V476 HydrophobicContact CD1-CG1 4.24Å; I434-V476 HydrophobicContact CG1-CG1 3.57Å; I434-Y480 HydrophobicContact CD1-CE2 3.95Å; I434-Y480 HydrophobicContact CG1-CD2 3.88Å; I434-Y480 HydrophobicContact CG1-CE2 3.78Å; I434-Y480 HydrophobicContact CG2-CD2 4.32Å; I434-Y480 HydrophobicContact CG2-CE1 4.39Å; I434-Y480 HydrophobicContact CG2-CE2 4.07Å
435	R	95.2	Very high	95.2	Very high	96 Å²	96	34.5 Å²	34.5	36%	0.362	17%	0.165	S	C	.	.	H	α-helix	trans	-64.5	-52.5	176.6	-179.2	177.1	178.8	-168.2	-3.7	110.3	T431 G432 L437 K438 M439 Y677	T431-R435 WeakPolarHBondContact O-CB 3.45Å; T431-R435 PolarHBondContact O-N 3.43Å; G432-R435 PolarHBondContact O-N 2.95Å; R435-L437 PolarHBondContact O-N 3.2Å; R435-K438 PolarHBondContact O-N 3.23Å; R435-M439 HydrophobicContact CG-SD 3.6Å; R435-M439 VanDerWaalsContact CG-SD 3.6Å; R435-M439 WeakPolarHBondContact O-CB 3.47Å; R435-M439 VanDerWaalsContact O-CG 3.28Å; R435-M439 WeakPolarHBondContact O-CG 3.26Å; R435-M439 PolarHBondContact O-N 3.43Å; R435-Y677 VanDerWaalsContact CZ-O 3.29Å; R435-Y677 PolarHBondContact NH1-O 3.3Å; R435-Y677 PolarHBondContact NH2-O 3.08Å
436	A	97.1	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-52	-179.2	0	0	0	0	0	112.2	T417 G432 Y433 K438 M439 G440 C441 V444 Y677	T417-A436 HydrophobicContact CG2-CB 3.86Å; G432-A436 WeakPolarHBondContact O-CB 3.48Å; G432-A436 PolarHBondContact O-N 3.11Å; Y433-A436 PolarHBondContact O-N 3.11Å; A436-K438 PolarHBondContact O-N 3.41Å; A436-M439 CarbonylContact O-C 3.51Å; A436-M439 PolarHBondContact O-N 2.83Å; A436-M439 VanDerWaalsContact O-N 3.1Å; A436-G440 PolarHBondContact O-N 3.03Å; A436-C441 VanDerWaalsContact C-CB 3.44Å; A436-C441 HydrophobicContact CB-CB 3.83Å; A436-C441 WeakPolarHBondContact O-CB 3.34Å; A436-C441 PolarHBondContact O-N 3.17Å; A436-V444 HydrophobicContact CB-CG1 4.45Å; A436-Y677 HydrophobicContact CB-CD1 3.83Å; A436-Y677 HydrophobicContact CB-CE1 3.95Å; A436-Y677 HydrophobicContact CB-CG 4.43Å
437	L	98	Very high	96.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-35.1	-178.1	-66.4	172.7	0	0	0	112.7	Y433 R435 M439 G440 V444 I477 A484 L489	Y433-L437 VanDerWaalsContact O-CB 3.3Å; Y433-L437 WeakPolarHBondContact O-CB 3.46Å; Y433-L437 VanDerWaalsContact O-CG 3.25Å; Y433-L437 WeakPolarHBondContact O-CG 3.33Å; Y433-L437 PolarHBondContact O-N 3.5Å; R435-L437 PolarHBondContact O-N 3.2Å; L437-M439 VanDerWaalsContact C-N 3.34Å; L437-G440 PolarHBondContact O-N 2.9Å; L437-V444 HydrophobicContact CD2-CG1 4.27Å; L437-I477 HydrophobicContact CD1-CG1 4.3Å; L437-A484 WeakPolarHBondContact O-CB 3.43Å; L437-L489 HydrophobicContact CD2-CD1 3.71Å; L437-L489 HydrophobicContact CD2-CD2 3.85Å; L437-L489 HydrophobicContact CD2-CG 4.46Å
438	K	95.8	Very high	96.5	Very high	118 Å²	118	23.6 Å²	23.6	51%	0.513	12%	0.119	S	C	.	.	H	α-helix	trans	-68.6	-31.1	172.2	-77.2	179.7	177	-176.7	0	113.2	I434 R435 A436 G440	I434-K438 HydrophobicContact CG2-CD 4.07Å; I434-K438 VanDerWaalsContact O-CB 3.29Å; I434-K438 WeakPolarHBondContact O-CB 3.42Å; I434-K438 VanDerWaalsContact O-CG 3.23Å; I434-K438 WeakPolarHBondContact O-CG 3.39Å; I434-K438 PolarHBondContact O-N 2.94Å; I434-K438 VanDerWaalsContact O-N 3.15Å; R435-K438 PolarHBondContact O-N 3.23Å; A436-K438 PolarHBondContact O-N 3.41Å; K438-G440 PolarHBondContact O-N 3.04Å
439	M	94.6	Very high	96.5	Very high	50 Å²	50	25.1 Å²	25.1	25%	0.246	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	17.2	174.8	-69.2	172.8	63	0	0	112.9	N412 R435 A436 L437 C441 Y677 M684 I688	N412-M439 PolarHBondContact ND2-O 3.35Å; R435-M439 HydrophobicContact CG-SD 3.6Å; R435-M439 VanDerWaalsContact CG-SD 3.6Å; R435-M439 WeakPolarHBondContact O-CB 3.47Å; R435-M439 VanDerWaalsContact O-CG 3.28Å; R435-M439 WeakPolarHBondContact O-CG 3.26Å; R435-M439 PolarHBondContact O-N 3.43Å; A436-M439 CarbonylContact O-C 3.51Å; A436-M439 PolarHBondContact O-N 2.83Å; A436-M439 VanDerWaalsContact O-N 3.1Å; L437-M439 VanDerWaalsContact C-N 3.34Å; M439-C441 VanDerWaalsContact C-N 3.31Å; M439-C441 PolarHBondContact O-N 2.69Å; M439-Y677 HydrophobicContact CB-CE1 4.07Å; M439-Y677 HydrophobicContact CE-CD1 4.41Å; M439-Y677 HydrophobicContact CE-CE1 4.19Å; M439-Y677 HydrophobicContact SD-CD1 4.34Å; M439-Y677 HydrophobicContact SD-CE1 4.33Å; M439-M684 HydrophobicContact CE-CE 3.75Å; M439-I688 HydrophobicContact CE-CD1 3.55Å; M439-I688 HydrophobicContact CE-CG1 3.67Å
440	G	96.8	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	17.9	177.6	0	0	0	0	0	114.3	N412 A436 L437 K438 R442 G698	N412-G440 PolarHBondContact ND2-O 2.82Å; A436-G440 PolarHBondContact O-N 3.03Å; L437-G440 PolarHBondContact O-N 2.9Å; K438-G440 PolarHBondContact O-N 3.04Å; G440-R442 PolarHBondContact O-N 3.34Å; G440-G698 WeakPolarHBondContact O-CA 3.29Å
441	C	98.4	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.			trans	-63.5	135	174.2	-167	0	0	0	0	110.7	N412 S414 A436 M439 C443 Y677	N412-C441 PolarHBondContact O-SG 2.65Å; N412-C441 VanDerWaalsContact O-SG 3.33Å; S414-C441 PolarHBondContact N-SG 3.03Å; A436-C441 VanDerWaalsContact C-CB 3.44Å; A436-C441 HydrophobicContact CB-CB 3.83Å; A436-C441 WeakPolarHBondContact O-CB 3.34Å; A436-C441 PolarHBondContact O-N 3.17Å; M439-C441 VanDerWaalsContact C-N 3.31Å; M439-C441 PolarHBondContact O-N 2.69Å; C441-C443 PolarHBondContact SG-O 3.49Å; C441-Y677 HydrophobicContact CB-CE1 4.2Å; C441-Y677 WeakPolarHBondContact CB-OH 3.3Å
442	R	98.6	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.			trans	-120.1	-1.1	-176.4	-62.6	-66.7	81.1	-172.8	-0.3	113.5	I411 N412 G440 A481 S485 F487 P488 I490 S697 Y699	I411-R442 HydrophobicContact CG2-CB 3.8Å; N412-R442 PolarHBondContact O-N 3.41Å; G440-R442 PolarHBondContact O-N 3.34Å; R442-A481 VanDerWaalsContact CZ-O 3.26Å; R442-A481 PolarHBondContact NH1-O 2.82Å; R442-A481 PolarHBondContact NH2-O 2.99Å; R442-S485 PolarHBondContact NH1-O 2.88Å; R442-F487 PolarHBondContact NH1-O 2.86Å; R442-P488 WeakPolarHBondContact CD-O 3.25Å; R442-I490 PolarHBondContact O-N 2.95Å; R442-S697 WeakPolarHBondContact CD-O 3.43Å; R442-S697 WeakPolarHBondContact CG-O 3.49Å; R442-Y699 HydrophobicContact CB-CD2 4.4Å; R442-Y699 HydrophobicContact CB-CE2 3.74Å; R442-Y699 HydrophobicContact CG-CD2 3.73Å; R442-Y699 HydrophobicContact CG-CE2 3.45Å; R442-Y699 VanDerWaalsContact CG-CE2 3.45Å
443	C	98.6	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	118.8	169.8	-175.3	0	0	0	0	109.7	I411 N412 A413 S414 C441 I490 C492 I672	I411-C443 HydrophobicContact CG2-CB 4.43Å; N412-C443 PolarHBondContact O-N 3.1Å; N412-C443 VanDerWaalsContact O-N 3.08Å; A413-C443 WeakPolarHBondContact CA-O 3.37Å; A413-C443 HydrophobicContact CB-CB 3.78Å; S414-C443 PolarHBondContact N-O 2.98Å; C441-C443 PolarHBondContact SG-O 3.49Å; C443-I490 WeakPolarHBondContact CA-O 3.4Å; C443-I490 HydrophobicContact CB-CB 4.11Å; C443-C492 VanDerWaalsContact SG-SG 3.61Å; C443-I672 HydrophobicContact CB-CG2 3.98Å; C443-I672 VanDerWaalsContact SG-CG2 3.57Å
444	V	98.4	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154	-177	-61.6	0	0	0	0	111.5	T417 Y433 A436 L437 L446 L489 I490 L491 C492	T417-V444 HydrophobicContact CG2-CB 4.02Å; T417-V444 HydrophobicContact CG2-CG1 3.95Å; Y433-V444 HydrophobicContact CD1-CB 4.35Å; Y433-V444 HydrophobicContact CD1-CG2 4.37Å; A436-V444 HydrophobicContact CB-CG1 4.45Å; L437-V444 HydrophobicContact CD2-CG1 4.27Å; V444-L446 HydrophobicContact CG2-CD1 4.33Å; V444-L489 HydrophobicContact CG2-CD1 4.24Å; V444-I490 PolarHBondContact N-O 2.77Å; V444-L491 HydrophobicContact CG2-CD2 3.43Å; V444-L491 VanDerWaalsContact CG2-CD2 3.43Å; V444-C492 PolarHBondContact O-N 3.35Å
445	E	97.1	Very high	95.3	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.9	-166.7	-173.9	140.3	-105.9	0	0	112.8	H415 N416 T417 Y433 R647	H415-E445 VanDerWaalsContact CA-OE2 3.24Å; H415-E445 WeakPolarHBondContact CA-OE2 2.98Å; H415-E445 IonicContact CD2-OE2 3.41Å; H415-E445 PolarHBondContact CD2-OE2 3.16Å; H415-E445 IonicContact CG-OE2 2.74Å; N416-E445 PolarHBondContact N-OE2 3.31Å; T417-E445 PolarHBondContact OG1-N 2.81Å; Y433-E445 WeakPolarHBondContact CE1-O 3.48Å; Y433-E445 PolarHBondContact OH-O 3.3Å; E445-R647 IonicContact OE1-CZ 2.64Å; E445-R647 IonicContact OE1-NH1 3.5Å; E445-R647 PolarHBondContact OE1-NH1 3.48Å; E445-R647 IonicContact OE1-NH2 2.72Å; E445-R647 PolarHBondContact OE1-NH2 3.28Å; E445-R647 IonicContact OE2-CZ 3.6Å; E445-R647 IonicContact OE2-NH1 3.62Å; E445-R647 PolarHBondContact OE2-NH1 2.74Å; E445-R647 IonicContact OE2-NH2 2.73Å; E445-R647 PolarHBondContact OE2-NH2 2.69Å
446	L	96.4	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	102.7	-175.8	-63.2	85.8	0	0	0	109.7	Y433 V444 V448 I458 F470 V473 I474 I477 L491 C492 L493 E494	Y433-L446 HydrophobicContact CE1-CD1 4.28Å; Y433-L446 HydrophobicContact CE1-CG 4.07Å; V444-L446 HydrophobicContact CG2-CD1 4.33Å; L446-V448 HydrophobicContact CB-CG2 4.19Å; L446-V448 WeakPolarHBondContact O-CG2 3.42Å; L446-V448 PolarHBondContact O-N 3.45Å; L446-I458 HydrophobicContact CB-CD1 4.11Å; L446-I458 HydrophobicContact CD2-CD1 4.06Å; L446-I458 HydrophobicContact CG-CD1 4.25Å; L446-F470 HydrophobicContact CD2-CE2 3.99Å; L446-V473 HydrophobicContact CD2-CG1 3.89Å; L446-V473 HydrophobicContact CG-CG1 4.4Å; L446-I474 HydrophobicContact CD2-CD1 3.73Å; L446-I477 HydrophobicContact CD1-CD1 4.35Å; L446-I477 HydrophobicContact CD2-CD1 4.11Å; L446-L491 HydrophobicContact CD1-CB 4.12Å; L446-L491 HydrophobicContact CD1-CD2 4.25Å; L446-C492 PolarHBondContact N-O 3.03Å; L446-L493 HydrophobicContact CB-CD2 4.11Å; L446-L493 HydrophobicContact CD2-CD2 4.24Å; L446-E494 PolarHBondContact O-N 3.31Å
447	D	94.3	Very high	95.3	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	96.8	178.2	-61	14.7	0	0	0	109.2	Y418 W449 I458	Y418-D447 HydrophobicContact CE1-CB 3.91Å; Y418-D447 VanDerWaalsContact OH-CG 3.27Å; Y418-D447 PolarHBondContact OH-OD2 2.83Å; D447-W449 VanDerWaalsContact O-CD1 3.31Å; D447-I458 VanDerWaalsContact O-CA 3.25Å; D447-I458 WeakPolarHBondContact O-CA 3.5Å
448	V	95.1	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.4	-167.5	-156.3	0	0	0	0	112.1	L446 P456 V457 I458 F470 L493 E494 H496 C497 M505	L446-V448 HydrophobicContact CB-CG2 4.19Å; L446-V448 WeakPolarHBondContact O-CG2 3.42Å; L446-V448 PolarHBondContact O-N 3.45Å; V448-P456 HydrophobicContact CG1-CB 3.69Å; V448-V457 WeakPolarHBondContact CA-O 3.4Å; V448-I458 HydrophobicContact CG2-CG1 4.35Å; V448-F470 HydrophobicContact CB-CD2 4.37Å; V448-F470 HydrophobicContact CG1-CB 4.39Å; V448-F470 HydrophobicContact CG1-CD2 3.59Å; V448-F470 HydrophobicContact CG1-CE2 4.18Å; V448-F470 HydrophobicContact CG1-CG 4.18Å; V448-F470 HydrophobicContact CG2-CD2 3.76Å; V448-F470 HydrophobicContact CG2-CE2 3.75Å; V448-L493 HydrophobicContact CG2-CD2 4.19Å; V448-E494 PolarHBondContact N-O 3.31Å; V448-H496 PolarHBondContact O-N 2.68Å; V448-C497 PolarHBondContact O-N 3.43Å; V448-C497 PolarHBondContact O-SG 2.72Å; V448-C497 VanDerWaalsContact O-SG 3.39Å; V448-M505 HydrophobicContact CB-CE 4.45Å; V448-M505 HydrophobicContact CB-SD 4.22Å; V448-M505 HydrophobicContact CG1-CE 4.41Å; V448-M505 HydrophobicContact CG1-SD 4.09Å; V448-M505 HydrophobicContact CG2-SD 3.99Å
449	W	94.1	Very high	95	Very high	36 Å²	36	27 Å²	27	14%	0.136	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	158.7	-177.7	-63.9	83.3	0	0	0	111.9	D447 G451 V457 Y459 H496	D447-W449 VanDerWaalsContact O-CD1 3.31Å; W449-G451 PolarHBondContact O-N 3.39Å; W449-V457 HydrophobicContact CB-CG2 4.33Å; W449-V457 PolarHBondContact N-O 2.76Å; W449-V457 PolarHBondContact O-N 3.1Å; W449-Y459 HydrophobicContact CB-CD1 4.18Å; W449-Y459 HydrophobicContact CB-CE1 3.54Å; W449-Y459 AromaticContact CD1-CD1 3.96Å; W449-Y459 AromaticContact CD1-CE1 3.88Å; W449-Y459 HydrophobicContact CD2-CE1 4.36Å; W449-Y459 HydrophobicContact CG-CD1 4.17Å; W449-Y459 AromaticContact CG-CE1 3.64Å; W449-Y459 HydrophobicContact CG-CE1 3.64Å; W449-Y459 PolarHBondContact NE1-O 2.72Å; W449-H496 HydrophobicContact CD2-CB 3.59Å; W449-H496 AromaticContact CD2-CD2 3.97Å; W449-H496 AromaticContact CD2-CG 3.93Å; W449-H496 AromaticContact CE2-CD2 3.31Å; W449-H496 AromaticContact CE2-CG 3.66Å; W449-H496 HydrophobicContact CE3-CB 3.47Å; W449-H496 VanDerWaalsContact CE3-CB 3.47Å; W449-H496 AromaticContact CE3-CG 3.99Å; W449-H496 HydrophobicContact CG-CB 4.23Å; W449-H496 HydrophobicContact CH2-CB 3.92Å; W449-H496 AromaticContact CH2-CD2 3.76Å; W449-H496 AromaticContact CH2-CG 3.5Å; W449-H496 VanDerWaalsContact CH2-CG 3.5Å; W449-H496 AromaticContact CH2-ND1 3.71Å; W449-H496 HydrophobicContact CZ2-CB 4.03Å; W449-H496 AromaticContact CZ2-CD2 3.18Å; W449-H496 WeakPolarHBondContact CZ2-CD2 3.47Å; W449-H496 AromaticContact CZ2-CE1 3.96Å; W449-H496 AromaticContact CZ2-CG 3.43Å; W449-H496 VanDerWaalsContact CZ2-CG 3.43Å; W449-H496 AromaticContact CZ2-ND1 3.94Å; W449-H496 AromaticContact CZ2-NE2 3.52Å; W449-H496 HydrophobicContact CZ3-CB 3.65Å; W449-H496 AromaticContact CZ3-CG 3.79Å; W449-H496 AromaticContact NE1-CD2 3.71Å
450	D	94.6	Very high	94.5	Very high	68 Å²	68	25.6 Å²	25.6	36%	0.364	14%	0.141	S	C	.	.			trans	-64.5	116	174.8	-99.1	33.6	0	0	0	111	C497 S498 Q501	D450-C497 WeakPolarHBondContact OD1-CA 3.19Å; D450-C497 WeakPolarHBondContact OD1-CB 3.49Å; D450-S498 PolarHBondContact OD1-N 2.98Å; D450-S498 PolarHBondContact OD1-OG 3.12Å; D450-S498 WeakPolarHBondContact OD2-CB 3.36Å; D450-S498 PolarHBondContact OD2-OG 3.01Å; D450-Q501 VanDerWaalsContact CG-CD 3.42Å; D450-Q501 VanDerWaalsContact OD1-CB 3.26Å; D450-Q501 WeakPolarHBondContact OD1-CB 3.34Å; D450-Q501 VanDerWaalsContact OD1-CG 3.32Å; D450-Q501 WeakPolarHBondContact OD1-CG 3.27Å; D450-Q501 PolarHBondContact OD2-NE2 2.68Å; D450-Q501 VanDerWaalsContact OD2-NE2 3.15Å
451	G	92.9	Very high	93.7	Very high	14 Å²	14	26.2 Å²	26.2	14%	0.144	15%	0.147	C	C	.	.			trans	-96.2	179.1	177.4	0	0	0	0	0	113.9	W449 E455 Q501	W449-G451 PolarHBondContact O-N 3.39Å; G451-E455 VanDerWaalsContact CA-O 3.25Å; G451-E455 WeakPolarHBondContact CA-O 3.42Å; G451-Q501 VanDerWaalsContact N-OE1 3.16Å; G451-Q501 PolarHBondContact O-NE2 3.38Å
452	S	91.1	Very high	92.7	Very high	87 Å²	87	32.7 Å²	32.7	61%	0.608	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-67.7	163.8	171.5	74.9	0	0	0	0	111.4	N454 E455	S452-N454 PolarHBondContact O-N 3.46Å; S452-E455 PolarHBondContact O-N 3.34Å
453	D	89.1	Confident	91.9	Very high	157 Å²	157	33.7 Å²	33.7	84%	0.84	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	56.3	16.1	171.8	-52	-67.4	0	0	0	115.5	E455	D453-E455 VanDerWaalsContact C-N 3.34Å
454	N	90.2	Very high	91	Very high	45 Å²	45	40.1 Å²	40.1	24%	0.241	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	66.6	27.9	-176.1	-156.2	96	0	0	0	114.5	S452 K500 V504	S452-N454 PolarHBondContact O-N 3.46Å; N454-K500 WeakPolarHBondContact OD1-CD 3.48Å; N454-K500 WeakPolarHBondContact OD1-CE 3.49Å; N454-K500 WeakPolarHBondContact OD1-CG 3.27Å; N454-K500 PolarHBondContact OD1-NZ 2.75Å; N454-V504 VanDerWaalsContact ND2-CG2 3.29Å; N454-V504 WeakPolarHBondContact ND2-CG2 3.42Å
455	E	95	Very high	90.3	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	22%	0.218	C	C	.	.			trans	-109	124.5	172.5	179.6	64.5	-160.5	0	0	109.7	G451 S452 D453 V469 R471 Q501 H508	G451-E455 VanDerWaalsContact CA-O 3.25Å; G451-E455 WeakPolarHBondContact CA-O 3.42Å; S452-E455 PolarHBondContact O-N 3.34Å; D453-E455 VanDerWaalsContact C-N 3.34Å; E455-V469 HydrophobicContact CG-CG1 3.65Å; E455-V469 WeakPolarHBondContact OE1-CG1 3.18Å; E455-R471 WeakPolarHBondContact OE1-CB 3.49Å; E455-Q501 VanDerWaalsContact C-OE1 3.31Å; E455-Q501 PolarHBondContact O-OE1 2.93Å; E455-H508 VanDerWaalsContact CD-NE2 3.25Å; E455-H508 IonicContact OE1-CD2 3.71Å; E455-H508 PolarHBondContact OE1-CD2 3.31Å; E455-H508 IonicContact OE1-CE1 3.65Å; E455-H508 IonicContact OE1-NE2 2.64Å; E455-H508 PolarHBondContact OE1-NE2 3.48Å; E455-H508 IonicContact OE2-CD2 3.42Å; E455-H508 IonicContact OE2-CE1 3.67Å; E455-H508 IonicContact OE2-NE2 2.64Å; E455-H508 PolarHBondContact OE2-NE2 2.99Å
456	P	96.7	Very high	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.			trans	-65.5	148.9	-179.2	-15.9	27	0	0	0	112.8	V448 F470 Q501 V504 M505	V448-P456 HydrophobicContact CG1-CB 3.69Å; P456-F470 HydrophobicContact CB-CB 3.85Å; P456-F470 HydrophobicContact CB-CG 4.3Å; P456-F470 WeakPolarHBondContact O-CB 3.27Å; P456-F470 PolarHBondContact O-N 3.47Å; P456-Q501 HydrophobicContact CG-CB 4.3Å; P456-V504 HydrophobicContact CG-CB 4.38Å; P456-V504 HydrophobicContact CG-CG1 4.34Å; P456-M505 HydrophobicContact CG-CB 4.23Å
457	V	96.5	Very high	89.8	Confident	12 Å²	12	48.1 Å²	48.1	7%	0.073	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	158.2	178.5	-67.8	0	0	0	0	111.8	V448 W449 Y459 Q467 I468	V448-V457 WeakPolarHBondContact CA-O 3.4Å; W449-V457 HydrophobicContact CB-CG2 4.33Å; W449-V457 PolarHBondContact N-O 2.76Å; W449-V457 PolarHBondContact O-N 3.1Å; V457-Y459 HydrophobicContact CG2-CD1 4.02Å; V457-Y459 HydrophobicContact CG2-CE1 4.02Å; V457-Q467 HydrophobicContact CB-CB 4.33Å; V457-I468 CarbonylContact C-O 3.56Å; V457-I468 WeakPolarHBondContact CA-O 3.36Å
458	I	95.4	Very high	89.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128	174.3	-64	162.8	0	0	0	109.6	Y418 L446 D447 V448 I468 F470 V473	Y418-I458 HydrophobicContact CD1-CG2 3.47Å; Y418-I458 VanDerWaalsContact CD1-CG2 3.47Å; Y418-I458 HydrophobicContact CD2-CG2 4.17Å; Y418-I458 HydrophobicContact CE1-CG2 3.99Å; Y418-I458 HydrophobicContact CG-CG2 3.59Å; L446-I458 HydrophobicContact CB-CD1 4.11Å; L446-I458 HydrophobicContact CD2-CD1 4.06Å; L446-I458 HydrophobicContact CG-CD1 4.25Å; D447-I458 VanDerWaalsContact O-CA 3.25Å; D447-I458 WeakPolarHBondContact O-CA 3.5Å; V448-I458 HydrophobicContact CG2-CG1 4.35Å; I458-I468 HydrophobicContact CB-CG1 3.99Å; I458-I468 HydrophobicContact CG2-CG1 4.47Å; I458-I468 PolarHBondContact N-O 3.44Å; I458-I468 PolarHBondContact O-N 2.79Å; I458-F470 HydrophobicContact CD1-CD2 3.88Å; I458-F470 HydrophobicContact CG1-CD2 4.21Å; I458-V473 HydrophobicContact CD1-CB 3.93Å; I458-V473 HydrophobicContact CD1-CG1 3.94Å; I458-V473 HydrophobicContact CD1-CG2 3.89Å
459	Y	90.3	Very high	89.9	Confident	41 Å²	41	51.6 Å²	51.6	16%	0.161	28%	0.28	C	S	.	.			trans	-170.8	167.9	173.2	72.8	-78.4	0	0	0	110.4	W449 V457 G461 S466 Q467	W449-Y459 HydrophobicContact CB-CD1 4.18Å; W449-Y459 HydrophobicContact CB-CE1 3.54Å; W449-Y459 AromaticContact CD1-CD1 3.96Å; W449-Y459 AromaticContact CD1-CE1 3.88Å; W449-Y459 HydrophobicContact CD2-CE1 4.36Å; W449-Y459 HydrophobicContact CG-CD1 4.17Å; W449-Y459 AromaticContact CG-CE1 3.64Å; W449-Y459 HydrophobicContact CG-CE1 3.64Å; W449-Y459 PolarHBondContact NE1-O 2.72Å; V457-Y459 HydrophobicContact CG2-CD1 4.02Å; V457-Y459 HydrophobicContact CG2-CE1 4.02Å; Y459-G461 PolarHBondContact O-N 3Å; Y459-S466 WeakPolarHBondContact CB-O 3.45Å; Y459-Q467 HydrophobicContact CD1-CG 3.68Å; Y459-Q467 HydrophobicContact CD2-CG 4.48Å; Y459-Q467 HydrophobicContact CE1-CG 4.21Å; Y459-Q467 HydrophobicContact CG-CG 3.83Å
460	T	85.6	Confident	90.1	Very high	20 Å²	20	49.9 Å²	49.9	12%	0.123	27%	0.273	C	S	.	.			trans	-79	116.2	177.3	-46	0	0	0	0	110.6	Y418 T463 T465	Y418-T460 WeakPolarHBondContact CE2-OG1 3.35Å; Y418-T460 WeakPolarHBondContact OH-CA 3.43Å; Y418-T460 PolarHBondContact OH-N 2.6Å; Y418-T460 PolarHBondContact OH-OG1 2.76Å; T460-T463 HydrophobicContact CG2-CG2 3.69Å; T460-T463 WeakPolarHBondContact O-CB 3.35Å; T460-T463 PolarHBondContact O-N 3.24Å; T460-T463 PolarHBondContact O-OG1 2.93Å; T460-T465 PolarHBondContact N-OG1 2.86Å
461	G	78.9	Confident	90.2	Very high	13 Å²	13	52.1 Å²	52.1	13%	0.134	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	139.5	-174.3	0	0	0	0	0	114.6	Y459 T463	Y459-G461 PolarHBondContact O-N 3Å; G461-T463 WeakPolarHBondContact O-CG2 3.45Å; G461-T463 PolarHBondContact O-N 3.1Å; G461-T463 VanDerWaalsContact O-N 3.09Å
462	H	77.6	Confident	90.4	Very high	136 Å²	136	54.1 Å²	54.1	63%	0.63	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	13.7	178.7	-55.9	-80.5	0	0	0	116.3	S567	H462-S567 PolarHBondContact CD2-OG 2.71Å
463	T	81.4	Confident	90.7	Very high	21 Å²	21	50 Å²	50	13%	0.129	26%	0.259	C	S	.	.	S	Bend	trans	-101.8	-174.2	174.5	76.1	0	0	0	0	112.5	F424 T460 G461 T465	F424-T463 HydrophobicContact CD2-CG2 4.1Å; T460-T463 HydrophobicContact CG2-CG2 3.69Å; T460-T463 WeakPolarHBondContact O-CB 3.35Å; T460-T463 PolarHBondContact O-N 3.24Å; T460-T463 PolarHBondContact O-OG1 2.93Å; G461-T463 WeakPolarHBondContact O-CG2 3.45Å; G461-T463 PolarHBondContact O-N 3.1Å; G461-T463 VanDerWaalsContact O-N 3.09Å; T463-T465 VanDerWaalsContact OG1-CG2 3.31Å; T463-T465 WeakPolarHBondContact OG1-CG2 3.23Å; T463-T465 PolarHBondContact OG1-N 3.38Å; T463-T465 PolarHBondContact OG1-OG1 2.9Å
464	M	80.4	Confident	91.2	Very high	136 Å²	136	42.5 Å²	42.5	67%	0.67	22%	0.219	S	C	*	.	S	Bend	trans	-99.4	10.6	172.9	-56	-73.8	103.8	0	0	113.1	F424 R425	F424-M464 HydrophobicContact CZ-CG 4.41Å; F424-M464 CarbonylContact O-C 3.59Å; F424-M464 WeakPolarHBondContact O-CA 3.11Å; F424-M464 WeakPolarHBondContact O-CB 3.23Å; F424-M464 PolarHBondContact O-N 3.17Å; R425-M464 HydrophobicContact CG-CB 4.25Å
465	T	83.8	Confident	91.5	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-62.1	148.1	178.1	61.9	0	0	0	0	111.6	L419 F424 G426 T460 T463	L419-T465 HydrophobicContact CD2-CG2 3.78Å; F424-T465 PolarHBondContact O-N 3.33Å; G426-T465 WeakPolarHBondContact O-CA 3.26Å; G426-T465 WeakPolarHBondContact O-CB 3.34Å; G426-T465 WeakPolarHBondContact O-CG2 3.19Å; T460-T465 PolarHBondContact N-OG1 2.86Å; T463-T465 VanDerWaalsContact OG1-CG2 3.31Å; T463-T465 WeakPolarHBondContact OG1-CG2 3.23Å; T463-T465 PolarHBondContact OG1-N 3.38Å; T463-T465 PolarHBondContact OG1-OG1 2.9Å
466	S	90.3	Very high	91.7	Very high	52 Å²	52	42.5 Å²	42.5	36%	0.364	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-67.7	160	176.3	58.1	0	0	0	0	112.6	P427 S428 Y459	P427-S466 WeakPolarHBondContact CA-OG 3.16Å; S428-S466 WeakPolarHBondContact CB-O 3.44Å; S428-S466 PolarHBondContact N-OG 2.84Å; S428-S466 PolarHBondContact O-OG 3.05Å; S428-S466 PolarHBondContact OG-O 3.13Å; Y459-S466 WeakPolarHBondContact CB-O 3.45Å
467	Q	92.8	Very high	91.8	Very high	109 Å²	109	42.5 Å²	42.5	51%	0.509	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-103.7	136.7	179.5	-60.4	-174.2	-16.4	0	0	111.5	V457 Y459	V457-Q467 HydrophobicContact CB-CB 4.33Å; Y459-Q467 HydrophobicContact CD1-CG 3.68Å; Y459-Q467 HydrophobicContact CD2-CG 4.48Å; Y459-Q467 HydrophobicContact CE1-CG 4.21Å; Y459-Q467 HydrophobicContact CG-CG 3.83Å
468	I	95.6	Very high	91.8	Very high	20 Å²	20	44 Å²	44	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.3	171.3	61.5	-179.3	0	0	0	111.2	S428 V430 Y433 V457 I458 F470 V473	S428-I468 VanDerWaalsContact O-CG2 3.25Å; S428-I468 WeakPolarHBondContact O-CG2 3.38Å; V430-I468 HydrophobicContact CG1-CD1 4.35Å; Y433-I468 HydrophobicContact CE2-CD1 4.19Å; V457-I468 CarbonylContact C-O 3.56Å; V457-I468 WeakPolarHBondContact CA-O 3.36Å; I458-I468 HydrophobicContact CB-CG1 3.99Å; I458-I468 HydrophobicContact CG2-CG1 4.47Å; I458-I468 PolarHBondContact N-O 3.44Å; I458-I468 PolarHBondContact O-N 2.79Å; I468-F470 PolarHBondContact O-N 3.25Å; I468-V473 HydrophobicContact CD1-CG2 3.53Å; I468-V473 HydrophobicContact CG1-CG2 4.04Å
469	V	96.6	Very high	91.9	Very high	61 Å²	61	50.7 Å²	50.7	37%	0.37	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.3	-177.1	173.3	0	0	0	0	110.8	E455 R471 S472 V473	E455-V469 HydrophobicContact CG-CG1 3.65Å; E455-V469 WeakPolarHBondContact OE1-CG1 3.18Å; V469-R471 VanDerWaalsContact C-N 3.32Å; V469-R471 HydrophobicContact CG1-CB 4.11Å; V469-R471 PolarHBondContact O-N 2.68Å; V469-S472 WeakPolarHBondContact O-CB 3.4Å; V469-S472 PolarHBondContact O-N 2.97Å; V469-V473 PolarHBondContact O-N 3.28Å
470	F	97.4	Very high	92.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-53.7	-47.1	-177.6	174.2	-94	0	0	0	112.2	L446 V448 P456 I458 I468 S472 V473 I474 L493 M505 H508 L509	L446-F470 HydrophobicContact CD2-CE2 3.99Å; V448-F470 HydrophobicContact CB-CD2 4.37Å; V448-F470 HydrophobicContact CG1-CB 4.39Å; V448-F470 HydrophobicContact CG1-CD2 3.59Å; V448-F470 HydrophobicContact CG1-CE2 4.18Å; V448-F470 HydrophobicContact CG1-CG 4.18Å; V448-F470 HydrophobicContact CG2-CD2 3.76Å; V448-F470 HydrophobicContact CG2-CE2 3.75Å; P456-F470 HydrophobicContact CB-CB 3.85Å; P456-F470 HydrophobicContact CB-CG 4.3Å; P456-F470 WeakPolarHBondContact O-CB 3.27Å; P456-F470 PolarHBondContact O-N 3.47Å; I458-F470 HydrophobicContact CD1-CD2 3.88Å; I458-F470 HydrophobicContact CG1-CD2 4.21Å; I468-F470 PolarHBondContact O-N 3.25Å; F470-S472 VanDerWaalsContact C-N 3.28Å; F470-S472 PolarHBondContact O-N 3.32Å; F470-V473 WeakPolarHBondContact O-CB 3.4Å; F470-V473 PolarHBondContact O-N 3.08Å; F470-V473 VanDerWaalsContact O-N 3.08Å; F470-I474 HydrophobicContact CD1-CG1 3.97Å; F470-I474 HydrophobicContact CE1-CD1 4.14Å; F470-I474 HydrophobicContact CE1-CG1 3.46Å; F470-I474 VanDerWaalsContact CE1-CG1 3.46Å; F470-I474 HydrophobicContact CE2-CD1 3.99Å; F470-I474 HydrophobicContact CE2-CG1 4.1Å; F470-I474 HydrophobicContact CG-CG1 4.49Å; F470-I474 HydrophobicContact CZ-CD1 3.65Å; F470-I474 HydrophobicContact CZ-CG1 3.53Å; F470-I474 PolarHBondContact O-N 3.25Å; F470-L493 HydrophobicContact CE2-CD2 4.17Å; F470-M505 HydrophobicContact CE1-CB 4.08Å; F470-M505 HydrophobicContact CE1-CG 3.81Å; F470-M505 HydrophobicContact CE2-CG 4.17Å; F470-M505 HydrophobicContact CE2-SD 3.85Å; F470-M505 HydrophobicContact CZ-CB 4.3Å; F470-M505 HydrophobicContact CZ-CG 3.56Å; F470-M505 HydrophobicContact CZ-SD 3.84Å; F470-H508 HydrophobicContact CD1-CB 4.36Å; F470-H508 HydrophobicContact CE1-CB 4.13Å; F470-L509 HydrophobicContact CE1-CG 4.28Å; F470-L509 HydrophobicContact CZ-CD1 4.33Å; F470-L509 HydrophobicContact CZ-CD2 4.1Å; F470-L509 HydrophobicContact CZ-CG 3.99Å
471	R	96.9	Very high	92.9	Very high	115 Å²	115	49.8 Å²	49.8	43%	0.434	25%	0.253	S	S	.	.	H	α-helix	trans	-54.2	-43.1	177.5	175.3	178	167.5	-164.9	-6.5	113	E455 V469 V473 I474 D475 I512	E455-R471 WeakPolarHBondContact OE1-CB 3.49Å; V469-R471 VanDerWaalsContact C-N 3.32Å; V469-R471 HydrophobicContact CG1-CB 4.11Å; V469-R471 PolarHBondContact O-N 2.68Å; R471-V473 VanDerWaalsContact C-N 3.29Å; R471-V473 PolarHBondContact O-N 3.5Å; R471-I474 PolarHBondContact O-N 3.08Å; R471-D475 IonicContact NE-OD2 2.7Å; R471-D475 PolarHBondContact O-N 2.82Å; R471-I512 HydrophobicContact CG-CD1 3.9Å
472	S	96.9	Very high	93.8	Very high	56 Å²	56	51.6 Å²	51.6	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-35.1	-179.9	-57.8	0	0	0	0	112	V469 F470 V476	V469-S472 WeakPolarHBondContact O-CB 3.4Å; V469-S472 PolarHBondContact O-N 2.97Å; F470-S472 VanDerWaalsContact C-N 3.28Å; F470-S472 PolarHBondContact O-N 3.32Å; S472-V476 WeakPolarHBondContact O-CB 3.45Å; S472-V476 WeakPolarHBondContact O-CG2 3.4Å; S472-V476 PolarHBondContact O-N 3.17Å; S472-V476 VanDerWaalsContact O-N 3.08Å
473	V	97.9	Very high	94.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-43.9	172.6	169.1	0	0	0	0	111	V430 Y433 L446 I458 I468 V469 F470 R471 V476 I477	V430-V473 HydrophobicContact CG1-CG2 4.06Å; Y433-V473 HydrophobicContact CD1-CG1 4.15Å; Y433-V473 HydrophobicContact CD2-CG1 3.95Å; Y433-V473 HydrophobicContact CD2-CG2 4.17Å; Y433-V473 HydrophobicContact CE1-CG1 3.77Å; Y433-V473 HydrophobicContact CE2-CB 4.27Å; Y433-V473 HydrophobicContact CE2-CG1 3.56Å; Y433-V473 HydrophobicContact CE2-CG2 3.66Å; Y433-V473 HydrophobicContact CG-CG1 4.23Å; Y433-V473 VanDerWaalsContact CZ-CG1 3.45Å; L446-V473 HydrophobicContact CD2-CG1 3.89Å; L446-V473 HydrophobicContact CG-CG1 4.4Å; I458-V473 HydrophobicContact CD1-CB 3.93Å; I458-V473 HydrophobicContact CD1-CG1 3.94Å; I458-V473 HydrophobicContact CD1-CG2 3.89Å; I468-V473 HydrophobicContact CD1-CG2 3.53Å; I468-V473 HydrophobicContact CG1-CG2 4.04Å; V469-V473 PolarHBondContact O-N 3.28Å; F470-V473 WeakPolarHBondContact O-CB 3.4Å; F470-V473 PolarHBondContact O-N 3.08Å; F470-V473 VanDerWaalsContact O-N 3.08Å; R471-V473 VanDerWaalsContact C-N 3.29Å; R471-V473 PolarHBondContact O-N 3.5Å; V473-V476 WeakPolarHBondContact O-CB 3.24Å; V473-V476 PolarHBondContact O-N 3.26Å; V473-I477 HydrophobicContact CG1-CD1 3.73Å; V473-I477 HydrophobicContact CG1-CG1 4.41Å; V473-I477 WeakPolarHBondContact O-CG1 3.34Å; V473-I477 PolarHBondContact O-N 3.12Å
474	I	98.3	Very high	95.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-39.5	177.5	-57.7	-54	0	0	0	112	L446 F470 R471 V476 I477 N478 L509 I512 L513	L446-I474 HydrophobicContact CD2-CD1 3.73Å; F470-I474 HydrophobicContact CD1-CG1 3.97Å; F470-I474 HydrophobicContact CE1-CD1 4.14Å; F470-I474 HydrophobicContact CE1-CG1 3.46Å; F470-I474 VanDerWaalsContact CE1-CG1 3.46Å; F470-I474 HydrophobicContact CE2-CD1 3.99Å; F470-I474 HydrophobicContact CE2-CG1 4.1Å; F470-I474 HydrophobicContact CG-CG1 4.49Å; F470-I474 HydrophobicContact CZ-CD1 3.65Å; F470-I474 HydrophobicContact CZ-CG1 3.53Å; F470-I474 PolarHBondContact O-N 3.25Å; R471-I474 PolarHBondContact O-N 3.08Å; I474-V476 VanDerWaalsContact C-N 3.31Å; I474-V476 PolarHBondContact O-N 3.29Å; I474-I477 HydrophobicContact CD1-CD1 4.28Å; I474-I477 PolarHBondContact O-N 2.8Å; I474-N478 VanDerWaalsContact O-CB 3.32Å; I474-N478 WeakPolarHBondContact O-CB 3.44Å; I474-N478 PolarHBondContact O-N 3.38Å; I474-L509 HydrophobicContact CD1-CD2 3.87Å; I474-L509 HydrophobicContact CG1-CD2 4.31Å; I474-I512 HydrophobicContact CB-CD1 4.23Å; I474-I512 HydrophobicContact CG2-CB 3.86Å; I474-I512 HydrophobicContact CG2-CD1 4.03Å; I474-I512 HydrophobicContact CG2-CG2 3.83Å; I474-L513 HydrophobicContact CG2-CD1 4.06Å; I474-L513 HydrophobicContact CG2-CD2 3.89Å; I474-L513 HydrophobicContact CG2-CG 3.73Å
475	D	98	Very high	96.1	Very high	70 Å²	70	44.3 Å²	44.3	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-37.8	172.8	-82.5	-40	0	0	0	111.4	R471 K479 I512	R471-D475 IonicContact NE-OD2 2.7Å; R471-D475 PolarHBondContact O-N 2.82Å; D475-K479 PolarHBondContact O-N 2.97Å; D475-I512 WeakPolarHBondContact OD1-CG2 3.26Å
476	V	97.9	Very high	96.8	Very high	22 Å²	22	49.4 Å²	49.4	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-46.1	173.9	160.2	0	0	0	0	112.3	V430 I434 S472 V473 I474 N478 K479 Y480	V430-V476 HydrophobicContact CB-CG2 4.22Å; V430-V476 HydrophobicContact CG2-CG2 4.47Å; I434-V476 HydrophobicContact CD1-CG1 4.24Å; I434-V476 HydrophobicContact CG1-CG1 3.57Å; S472-V476 WeakPolarHBondContact O-CB 3.45Å; S472-V476 WeakPolarHBondContact O-CG2 3.4Å; S472-V476 PolarHBondContact O-N 3.17Å; S472-V476 VanDerWaalsContact O-N 3.08Å; V473-V476 WeakPolarHBondContact O-CB 3.24Å; V473-V476 PolarHBondContact O-N 3.26Å; I474-V476 VanDerWaalsContact C-N 3.31Å; I474-V476 PolarHBondContact O-N 3.29Å; V476-N478 VanDerWaalsContact C-N 3.31Å; V476-N478 PolarHBondContact O-N 2.94Å; V476-K479 PolarHBondContact O-N 3.14Å; V476-K479 VanDerWaalsContact O-N 3.14Å; V476-Y480 HydrophobicContact CG1-CD2 4.14Å; V476-Y480 WeakPolarHBondContact O-CD2 3.46Å; V476-Y480 PolarHBondContact O-N 3.22Å
477	I	98.3	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-45.2	175.3	-73.1	166.8	0	0	0	109.8	Y433 L437 L446 V473 I474 K479 Y480 A481 L489 L491	Y433-I477 HydrophobicContact CD1-CD1 4.12Å; Y433-I477 HydrophobicContact CD1-CG1 4.29Å; Y433-I477 HydrophobicContact CE1-CD1 4.32Å; L437-I477 HydrophobicContact CD1-CG1 4.3Å; L446-I477 HydrophobicContact CD1-CD1 4.35Å; L446-I477 HydrophobicContact CD2-CD1 4.11Å; V473-I477 HydrophobicContact CG1-CD1 3.73Å; V473-I477 HydrophobicContact CG1-CG1 4.41Å; V473-I477 WeakPolarHBondContact O-CG1 3.34Å; V473-I477 PolarHBondContact O-N 3.12Å; I474-I477 HydrophobicContact CD1-CD1 4.28Å; I474-I477 PolarHBondContact O-N 2.8Å; I477-K479 PolarHBondContact O-N 3.33Å; I477-Y480 PolarHBondContact O-N 3.13Å; I477-A481 HydrophobicContact CG2-CB 4.38Å; I477-A481 WeakPolarHBondContact O-CA 3.42Å; I477-A481 WeakPolarHBondContact O-CB 3.48Å; I477-A481 PolarHBondContact O-N 3.04Å; I477-L489 HydrophobicContact CG2-CD2 3.83Å; I477-L491 HydrophobicContact CD1-CD2 4.04Å; I477-L491 HydrophobicContact CG2-CD2 4.21Å
478	N	97.8	Very high	97.4	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-33.3	178.1	-161.5	27.9	0	0	0	113.1	I474 V476 I512 L513 R516	I474-N478 VanDerWaalsContact O-CB 3.32Å; I474-N478 WeakPolarHBondContact O-CB 3.44Å; I474-N478 PolarHBondContact O-N 3.38Å; V476-N478 VanDerWaalsContact C-N 3.31Å; V476-N478 PolarHBondContact O-N 2.94Å; N478-I512 HydrophobicContact CB-CG2 3.77Å; N478-I512 WeakPolarHBondContact ND2-CG2 3.32Å; N478-I512 PolarHBondContact ND2-O 3.3Å; N478-L513 HydrophobicContact CB-CD2 3.77Å; N478-R516 PolarHBondContact O-NH1 3.28Å; N478-R516 PolarHBondContact OD1-NH1 3.33Å
479	K	97.8	Very high	97.6	Very high	139 Å²	139	41.2 Å²	41.2	60%	0.604	21%	0.212	S	C	*	.	H	α-helix	trans	-77.2	-37.1	177.5	-176	173.9	178.8	-178.9	0	113.4	D475 V476 I477 V483	D475-K479 PolarHBondContact O-N 2.97Å; V476-K479 PolarHBondContact O-N 3.14Å; V476-K479 VanDerWaalsContact O-N 3.14Å; I477-K479 PolarHBondContact O-N 3.33Å; K479-V483 WeakPolarHBondContact O-CG2 3.28Å
480	Y	98.1	Very high	97.7	Very high	43 Å²	43	38.3 Å²	38.3	17%	0.169	19%	0.194	C	C	.	.	H	α-helix	trans	-110.3	-12.9	-169.7	-67.1	-71.7	0	0	0	115.7	I434 V476 I477 F482 V483	I434-Y480 HydrophobicContact CD1-CE2 3.95Å; I434-Y480 HydrophobicContact CG1-CD2 3.88Å; I434-Y480 HydrophobicContact CG1-CE2 3.78Å; I434-Y480 HydrophobicContact CG2-CD2 4.32Å; I434-Y480 HydrophobicContact CG2-CE1 4.39Å; I434-Y480 HydrophobicContact CG2-CE2 4.07Å; V476-Y480 HydrophobicContact CG1-CD2 4.14Å; V476-Y480 WeakPolarHBondContact O-CD2 3.46Å; V476-Y480 PolarHBondContact O-N 3.22Å; I477-Y480 PolarHBondContact O-N 3.13Å; Y480-F482 PolarHBondContact O-N 2.95Å; Y480-F482 VanDerWaalsContact O-N 3.08Å; Y480-V483 HydrophobicContact CD1-CG2 4.21Å; Y480-V483 PolarHBondContact O-N 2.64Å; Y480-V483 VanDerWaalsContact O-N 3.15Å
481	A	97.3	Very high	97.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.6	-173.8	0	0	0	0	0	114	R442 I477 L489	R442-A481 VanDerWaalsContact CZ-O 3.26Å; R442-A481 PolarHBondContact NH1-O 2.82Å; R442-A481 PolarHBondContact NH2-O 2.99Å; I477-A481 HydrophobicContact CG2-CB 4.38Å; I477-A481 WeakPolarHBondContact O-CA 3.42Å; I477-A481 WeakPolarHBondContact O-CB 3.48Å; I477-A481 PolarHBondContact O-N 3.04Å; A481-L489 HydrophobicContact CB-CD2 3.6Å
482	F	97.7	Very high	97.7	Very high	50 Å²	50	32.9 Å²	32.9	22%	0.219	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	24.4	-175.5	-52.5	-68.8	0	0	0	113.9	Y480 S485 G537 K538 I539	Y480-F482 PolarHBondContact O-N 2.95Å; Y480-F482 VanDerWaalsContact O-N 3.08Å; F482-S485 VanDerWaalsContact CA-O 3.27Å; F482-S485 WeakPolarHBondContact CA-O 3.36Å; F482-G537 WeakPolarHBondContact CE2-O 3.41Å; F482-G537 WeakPolarHBondContact CZ-O 3.35Å; F482-K538 WeakPolarHBondContact CZ-O 3.08Å; F482-I539 HydrophobicContact CE2-CD1 4.33Å; F482-I539 HydrophobicContact CE2-CG1 4.09Å; F482-I539 HydrophobicContact CZ-CG1 3.8Å
483	V	96.6	Very high	97.5	Very high	96 Å²	96	30.8 Å²	30.8	58%	0.582	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-35.7	-179.5	171.3	0	0	0	0	112.8	K479 Y480	K479-V483 WeakPolarHBondContact O-CG2 3.28Å; Y480-V483 HydrophobicContact CD1-CG2 4.21Å; Y480-V483 PolarHBondContact O-N 2.64Å; Y480-V483 VanDerWaalsContact O-N 3.15Å
484	A	95.5	Very high	97.2	Very high	33 Å²	33	31.1 Å²	31.1	27%	0.273	16%	0.16	S	C	.	.	S	Bend	trans	-101.4	-14.2	179.1	0	0	0	0	0	113.8	L437	L437-A484 WeakPolarHBondContact O-CB 3.43Å
485	S	97.4	Very high	96.9	Very high	11 Å²	11	32 Å²	32	8%	0.077	16%	0.164	C	C	.	.			trans	-162.8	134.6	-174.6	176	0	0	0	0	110.5	R442 F482 F487 S697	R442-S485 PolarHBondContact NH1-O 2.88Å; F482-S485 VanDerWaalsContact CA-O 3.27Å; F482-S485 WeakPolarHBondContact CA-O 3.36Å; S485-F487 VanDerWaalsContact C-N 3.29Å; S485-F487 WeakPolarHBondContact OG-CD2 3.32Å; S485-F487 PolarHBondContact OG-N 2.9Å; S485-S697 VanDerWaalsContact CB-O 3.32Å; S485-S697 WeakPolarHBondContact CB-O 3.18Å; S485-S697 PolarHBondContact OG-O 3.46Å
486	E	97.3	Very high	96.6	Very high	117 Å²	117	30.3 Å²	30.3	55%	0.547	15%	0.154	S	C	.	.	S	Bend	trans	-76.2	-17.1	175.6	-58.9	-175.7	147.7	0	0	113.3	K536 G537	E486-K536 HydrophobicContact CB-CD 4.36Å; E486-K536 HydrophobicContact CB-CG 4.42Å; E486-K536 WeakPolarHBondContact O-CA 3.49Å; E486-K536 WeakPolarHBondContact OE2-CE 3.36Å; E486-K536 IonicContact OE2-NZ 2.73Å; E486-K536 PolarHBondContact OE2-NZ 3.05Å; E486-G537 PolarHBondContact O-N 3.33Å
487	F	98.6	Very high	96.3	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.035	15%	0.149	C	C	.	.	S	Bend	trans	-73.6	154.9	-172.6	-65.2	-73.2	0	0	0	111.8	V398 M402 R442 S485 P532 K536 Y699	V398-F487 HydrophobicContact CG1-CE2 4.29Å; V398-F487 HydrophobicContact CG1-CZ 4.14Å; V398-F487 HydrophobicContact CG2-CE2 3.84Å; V398-F487 HydrophobicContact CG2-CZ 4.38Å; M402-F487 HydrophobicContact CB-CE1 3.87Å; M402-F487 HydrophobicContact CB-CZ 4.14Å; M402-F487 HydrophobicContact CE-CD1 3.79Å; M402-F487 HydrophobicContact CE-CD2 4.18Å; M402-F487 HydrophobicContact CE-CE1 3.58Å; M402-F487 HydrophobicContact CE-CE2 3.98Å; M402-F487 HydrophobicContact CE-CG 4.09Å; M402-F487 HydrophobicContact CE-CZ 3.68Å; M402-F487 HydrophobicContact CG-CE1 3.93Å; M402-F487 HydrophobicContact CG-CZ 3.71Å; M402-F487 HydrophobicContact SD-CZ 4.4Å; R442-F487 PolarHBondContact NH1-O 2.86Å; S485-F487 VanDerWaalsContact C-N 3.29Å; S485-F487 WeakPolarHBondContact OG-CD2 3.32Å; S485-F487 PolarHBondContact OG-N 2.9Å; F487-P532 HydrophobicContact CD1-CB 3.69Å; F487-P532 WeakPolarHBondContact CD1-O 3.38Å; F487-P532 HydrophobicContact CE1-CB 4.29Å; F487-P532 HydrophobicContact CG-CB 4.49Å; F487-K536 HydrophobicContact CD1-CG 4.16Å; F487-K536 HydrophobicContact CE1-CG 4.26Å; F487-Y699 HydrophobicContact CB-CD2 3.51Å; F487-Y699 HydrophobicContact CB-CE2 3.62Å; F487-Y699 HydrophobicContact CG-CD2 4.22Å
488	P	98.4	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.			trans	-53.5	152.1	-168.6	18.2	-33.8	0	0	0	114.6	R442 P532 L535 K538 Y699	R442-P488 WeakPolarHBondContact CD-O 3.25Å; P488-P532 WeakPolarHBondContact CD-O 3.42Å; P488-L535 HydrophobicContact CB-CB 3.96Å; P488-L535 WeakPolarHBondContact CB-O 3.47Å; P488-L535 WeakPolarHBondContact CD-O 3.16Å; P488-L535 HydrophobicContact CG-CB 3.69Å; P488-K538 VanDerWaalsContact CA-O 3.24Å; P488-K538 WeakPolarHBondContact CA-O 3.26Å; P488-Y699 HydrophobicContact CG-CE2 4.27Å; P488-Y699 PolarHBondContact O-OH 3.42Å; P488-Y699 VanDerWaalsContact O-OH 3.14Å
489	L	98.8	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	174.8	177.3	62.9	0	0	0	109.8	L437 V444 I477 A481 L491 K538 I539 L540	L437-L489 HydrophobicContact CD2-CD1 3.71Å; L437-L489 HydrophobicContact CD2-CD2 3.85Å; L437-L489 HydrophobicContact CD2-CG 4.46Å; V444-L489 HydrophobicContact CG2-CD1 4.24Å; I477-L489 HydrophobicContact CG2-CD2 3.83Å; A481-L489 HydrophobicContact CB-CD2 3.6Å; L489-L491 HydrophobicContact CD2-CD2 3.9Å; L489-L491 HydrophobicContact CG-CD2 3.94Å; L489-K538 PolarHBondContact N-O 3.2Å; L489-I539 HydrophobicContact CB-CG1 4.49Å; L489-I539 CarbonylContact O-C 3.5Å; L489-I539 VanDerWaalsContact O-CA 3.28Å; L489-I539 WeakPolarHBondContact O-CA 3.29Å; L489-L540 PolarHBondContact O-N 2.67Å
490	I	98.7	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.5	171.3	-53.6	176.2	0	0	0	108.6	I411 R442 C443 V444 L540 K542 I672	I411-I490 HydrophobicContact CD1-CD1 4.28Å; R442-I490 PolarHBondContact O-N 2.95Å; C443-I490 WeakPolarHBondContact CA-O 3.4Å; C443-I490 HydrophobicContact CB-CB 4.11Å; V444-I490 PolarHBondContact N-O 2.77Å; I490-L540 WeakPolarHBondContact CA-O 3.37Å; I490-L540 HydrophobicContact CG1-CB 4.43Å; I490-L540 HydrophobicContact CG1-CD1 4.33Å; I490-K542 HydrophobicContact CG2-CB 4.1Å; I490-I672 HydrophobicContact CD1-CD1 3.75Å
491	L	98.2	Very high	95.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.1	167.4	-54.5	-173.8	0	0	0	108.6	V444 L446 I477 L489 L493 L513 I539 L540 L541 K542	V444-L491 HydrophobicContact CG2-CD2 3.43Å; V444-L491 VanDerWaalsContact CG2-CD2 3.43Å; L446-L491 HydrophobicContact CD1-CB 4.12Å; L446-L491 HydrophobicContact CD1-CD2 4.25Å; I477-L491 HydrophobicContact CD1-CD2 4.04Å; I477-L491 HydrophobicContact CG2-CD2 4.21Å; L489-L491 HydrophobicContact CD2-CD2 3.9Å; L489-L491 HydrophobicContact CG-CD2 3.94Å; L491-L493 PolarHBondContact O-N 3.33Å; L491-L513 HydrophobicContact CD1-CD1 4.22Å; L491-I539 HydrophobicContact CD1-CG2 3.66Å; L491-I539 HydrophobicContact CD2-CG2 4.45Å; L491-I539 HydrophobicContact CG-CG2 3.64Å; L491-L540 PolarHBondContact N-O 2.85Å; L491-L541 HydrophobicContact CB-CD2 3.89Å; L491-L541 HydrophobicContact CD1-CD2 3.9Å; L491-L541 HydrophobicContact CG-CD2 4.2Å; L491-K542 PolarHBondContact O-N 3.28Å
492	C	96.6	Very high	95.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	106.7	167.3	-70.1	0	0	0	0	108.5	C443 V444 L446 K542	C443-C492 VanDerWaalsContact SG-SG 3.61Å; V444-C492 PolarHBondContact O-N 3.35Å; L446-C492 PolarHBondContact N-O 3.03Å; C492-K542 HydrophobicContact CB-CD 4.15Å
493	L	93.2	Very high	95.5	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.063	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.8	173.1	-68.2	170.1	0	0	0	108.6	L446 V448 F470 L491 M505 L509 L541 K542	L446-L493 HydrophobicContact CB-CD2 4.11Å; L446-L493 HydrophobicContact CD2-CD2 4.24Å; V448-L493 HydrophobicContact CG2-CD2 4.19Å; F470-L493 HydrophobicContact CE2-CD2 4.17Å; L491-L493 PolarHBondContact O-N 3.33Å; L493-M505 HydrophobicContact CD2-SD 4.29Å; L493-L509 HydrophobicContact CD1-CD1 4.26Å; L493-L541 HydrophobicContact CD1-CB 4.37Å; L493-L541 HydrophobicContact CD1-CD1 3.91Å; L493-L541 HydrophobicContact CD1-CD2 4.16Å; L493-L541 HydrophobicContact CD1-CG 4.38Å; L493-K542 PolarHBondContact N-O 3.37Å
494	E	91.4	Very high	95.6	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.028	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.6	163.5	-165	171.8	115.6	0	0	108.2	L446 V448 H496 D561 E562 G563	L446-E494 PolarHBondContact O-N 3.31Å; V448-E494 PolarHBondContact N-O 3.31Å; E494-H496 WeakPolarHBondContact CG-NE2 3.4Å; E494-H496 IonicContact OE1-CD2 3.61Å; E494-H496 IonicContact OE1-CE1 2.73Å; E494-H496 PolarHBondContact OE1-CE1 3.27Å; E494-H496 IonicContact OE1-NE2 3.66Å; E494-H496 PolarHBondContact OE1-NE2 2.92Å; E494-D561 HydrophobicContact CG-CB 3.65Å; E494-E562 WeakPolarHBondContact OE2-CA 3.39Å; E494-E562 WeakPolarHBondContact OE2-CB 3.44Å; E494-E562 PolarHBondContact OE2-N 3.31Å; E494-G563 WeakPolarHBondContact OE1-CA 3.19Å; E494-G563 PolarHBondContact OE1-N 2.81Å; E494-G563 VanDerWaalsContact OE1-N 3.08Å; E494-G563 PolarHBondContact OE2-N 3.41Å
495	N	91.5	Very high	95.6	Very high	18 Å²	18	27.2 Å²	27.2	10%	0.096	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	97.2	-161.3	171.8	47.6	0	0	0	112.6	C497 Q502 M505	N495-C497 WeakPolarHBondContact OD1-CB 3.38Å; N495-C497 PolarHBondContact OD1-N 3.07Å; N495-Q502 PolarHBondContact ND2-NE2 3.37Å; N495-Q502 VanDerWaalsContact ND2-NE2 3.1Å; N495-M505 WeakPolarHBondContact OD1-CE 3.35Å
496	H	90.7	Very high	95.6	Very high	35 Å²	35	28.6 Å²	28.6	16%	0.162	14%	0.139	C	C	.	.			trans	-100.7	4.5	175.1	-58.6	-74.3	0	0	0	113.1	V448 W449 E494	V448-H496 PolarHBondContact O-N 2.68Å; W449-H496 HydrophobicContact CD2-CB 3.59Å; W449-H496 AromaticContact CD2-CD2 3.97Å; W449-H496 AromaticContact CD2-CG 3.93Å; W449-H496 AromaticContact CE2-CD2 3.31Å; W449-H496 AromaticContact CE2-CG 3.66Å; W449-H496 HydrophobicContact CE3-CB 3.47Å; W449-H496 VanDerWaalsContact CE3-CB 3.47Å; W449-H496 AromaticContact CE3-CG 3.99Å; W449-H496 HydrophobicContact CG-CB 4.23Å; W449-H496 HydrophobicContact CH2-CB 3.92Å; W449-H496 AromaticContact CH2-CD2 3.76Å; W449-H496 AromaticContact CH2-CG 3.5Å; W449-H496 VanDerWaalsContact CH2-CG 3.5Å; W449-H496 AromaticContact CH2-ND1 3.71Å; W449-H496 HydrophobicContact CZ2-CB 4.03Å; W449-H496 AromaticContact CZ2-CD2 3.18Å; W449-H496 WeakPolarHBondContact CZ2-CD2 3.47Å; W449-H496 AromaticContact CZ2-CE1 3.96Å; W449-H496 AromaticContact CZ2-CG 3.43Å; W449-H496 VanDerWaalsContact CZ2-CG 3.43Å; W449-H496 AromaticContact CZ2-ND1 3.94Å; W449-H496 AromaticContact CZ2-NE2 3.52Å; W449-H496 HydrophobicContact CZ3-CB 3.65Å; W449-H496 AromaticContact CZ3-CG 3.79Å; W449-H496 AromaticContact NE1-CD2 3.71Å; E494-H496 WeakPolarHBondContact CG-NE2 3.4Å; E494-H496 IonicContact OE1-CD2 3.61Å; E494-H496 IonicContact OE1-CE1 2.73Å; E494-H496 PolarHBondContact OE1-CE1 3.27Å; E494-H496 IonicContact OE1-NE2 3.66Å; E494-H496 PolarHBondContact OE1-NE2 2.92Å
497	C	92.4	Very high	95.6	Very high	4 Å²	4	28 Å²	28	3%	0.027	14%	0.136	C	C	.	.			trans	-71	147.5	-178.6	-70.1	0	0	0	0	113	V448 D450 N495 Q501 Q502 M505	V448-C497 PolarHBondContact O-N 3.43Å; V448-C497 PolarHBondContact O-SG 2.72Å; V448-C497 VanDerWaalsContact O-SG 3.39Å; D450-C497 WeakPolarHBondContact OD1-CA 3.19Å; D450-C497 WeakPolarHBondContact OD1-CB 3.49Å; N495-C497 WeakPolarHBondContact OD1-CB 3.38Å; N495-C497 PolarHBondContact OD1-N 3.07Å; C497-Q501 HydrophobicContact CB-CB 4.16Å; C497-Q502 HydrophobicContact CB-CG 3.77Å; C497-Q502 PolarHBondContact O-NE2 2.66Å; C497-M505 HydrophobicContact CB-CE 4.44Å
498	S	93.8	Very high	95.5	Very high	46 Å²	46	28.7 Å²	28.7	32%	0.322	14%	0.139	S	C	.	.			trans	-66	153.2	164	69.2	0	0	0	0	110.9	D450 K500 Q501 Q502	D450-S498 PolarHBondContact OD1-N 2.98Å; D450-S498 PolarHBondContact OD1-OG 3.12Å; D450-S498 WeakPolarHBondContact OD2-CB 3.36Å; D450-S498 PolarHBondContact OD2-OG 3.01Å; S498-K500 PolarHBondContact O-N 3.05Å; S498-Q501 PolarHBondContact O-N 2.88Å; S498-Q502 WeakPolarHBondContact O-CG 3.19Å; S498-Q502 PolarHBondContact O-N 3.3Å
499	V	94.1	Very high	95.5	Very high	28 Å²	28	28.7 Å²	28.7	17%	0.17	14%	0.139	C	C	.	.	H	α-helix	trans	-53.1	-31.7	-178.6	-176	0	0	0	0	112.4	K503 E554 P586 L588	V499-K503 PolarHBondContact O-N 3.48Å; V499-K503 VanDerWaalsContact O-N 3.1Å; V499-E554 HydrophobicContact CG1-CB 4.45Å; V499-P586 HydrophobicContact CG2-CB 3.77Å; V499-P586 HydrophobicContact CG2-CG 4.07Å; V499-L588 HydrophobicContact CG1-CB 4.16Å; V499-L588 HydrophobicContact CG1-CD1 3.91Å
500	K	94.5	Very high	95.4	Very high	144 Å²	144	32.8 Å²	32.8	63%	0.626	16%	0.157	S	C	*	.	H	α-helix	trans	-64.2	-40.3	175.9	-168.4	-172.5	178.1	-138	0	112.8	N454 S498	N454-K500 WeakPolarHBondContact OD1-CD 3.48Å; N454-K500 WeakPolarHBondContact OD1-CE 3.49Å; N454-K500 WeakPolarHBondContact OD1-CG 3.27Å; N454-K500 PolarHBondContact OD1-NZ 2.75Å; S498-K500 PolarHBondContact O-N 3.05Å
501	Q	95.9	Very high	95.3	Very high	11 Å²	11	40.7 Å²	40.7	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-85.8	-31.1	176.7	-59.5	-147.5	40.7	0	0	112.3	D450 G451 E455 P456 C497 S498 K503 V504 M505	D450-Q501 VanDerWaalsContact CG-CD 3.42Å; D450-Q501 VanDerWaalsContact OD1-CB 3.26Å; D450-Q501 WeakPolarHBondContact OD1-CB 3.34Å; D450-Q501 VanDerWaalsContact OD1-CG 3.32Å; D450-Q501 WeakPolarHBondContact OD1-CG 3.27Å; D450-Q501 PolarHBondContact OD2-NE2 2.68Å; D450-Q501 VanDerWaalsContact OD2-NE2 3.15Å; G451-Q501 VanDerWaalsContact N-OE1 3.16Å; G451-Q501 PolarHBondContact O-NE2 3.38Å; E455-Q501 VanDerWaalsContact C-OE1 3.31Å; E455-Q501 PolarHBondContact O-OE1 2.93Å; P456-Q501 HydrophobicContact CG-CB 4.3Å; C497-Q501 HydrophobicContact CB-CB 4.16Å; S498-Q501 PolarHBondContact O-N 2.88Å; Q501-K503 PolarHBondContact O-N 2.9Å; Q501-V504 WeakPolarHBondContact O-CA 3.46Å; Q501-V504 WeakPolarHBondContact O-CB 3.42Å; Q501-V504 PolarHBondContact O-N 2.97Å; Q501-M505 PolarHBondContact O-N 3.49Å
502	Q	96.3	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-53.9	-36	167.5	-68.5	179.1	22.1	0	0	111.7	N495 C497 S498 M505 F506 P586 L588 L591	N495-Q502 PolarHBondContact ND2-NE2 3.37Å; N495-Q502 VanDerWaalsContact ND2-NE2 3.1Å; C497-Q502 HydrophobicContact CB-CG 3.77Å; C497-Q502 PolarHBondContact O-NE2 2.66Å; S498-Q502 WeakPolarHBondContact O-CG 3.19Å; S498-Q502 PolarHBondContact O-N 3.3Å; Q502-M505 HydrophobicContact CG-CE 4.25Å; Q502-M505 PolarHBondContact O-N 2.84Å; Q502-F506 WeakPolarHBondContact O-CB 3.41Å; Q502-F506 PolarHBondContact O-N 2.8Å; Q502-P586 PolarHBondContact NE2-O 2.83Å; Q502-L588 HydrophobicContact CB-CB 4.1Å; Q502-L588 HydrophobicContact CB-CD2 4.34Å; Q502-L591 HydrophobicContact CB-CD2 4.17Å; Q502-L591 HydrophobicContact CG-CD2 4.21Å
503	K	96.4	Very high	95.3	Very high	108 Å²	108	41.9 Å²	41.9	47%	0.47	20%	0.198	S	C	.	.	H	α-helix	trans	-67.1	-33.3	174.7	-168.6	166	-172.8	162.5	0	113.5	V499 Q501 Q507 L588	V499-K503 PolarHBondContact O-N 3.48Å; V499-K503 VanDerWaalsContact O-N 3.1Å; Q501-K503 PolarHBondContact O-N 2.9Å; K503-Q507 VanDerWaalsContact O-CG 3.26Å; K503-Q507 WeakPolarHBondContact O-CG 3.44Å; K503-Q507 PolarHBondContact O-N 2.95Å; K503-Q507 VanDerWaalsContact O-N 3.08Å; K503-L588 VanDerWaalsContact CA-CD2 3.5Å; K503-L588 HydrophobicContact CB-CD2 3.85Å; K503-L588 HydrophobicContact CG-CD2 4.3Å
504	V	97.3	Very high	95.4	Very high	21 Å²	21	42.5 Å²	42.5	13%	0.127	21%	0.207	C	C	.	.	H	α-helix	trans	-74	-43	173.7	176.9	0	0	0	0	110.8	N454 P456 Q501 F506 Q507 H508	N454-V504 VanDerWaalsContact ND2-CG2 3.29Å; N454-V504 WeakPolarHBondContact ND2-CG2 3.42Å; P456-V504 HydrophobicContact CG-CB 4.38Å; P456-V504 HydrophobicContact CG-CG1 4.34Å; Q501-V504 WeakPolarHBondContact O-CA 3.46Å; Q501-V504 WeakPolarHBondContact O-CB 3.42Å; Q501-V504 PolarHBondContact O-N 2.97Å; V504-F506 PolarHBondContact O-N 3.33Å; V504-Q507 WeakPolarHBondContact O-CB 3.49Å; V504-Q507 PolarHBondContact O-N 2.84Å; V504-Q507 VanDerWaalsContact O-N 3.14Å; V504-H508 WeakPolarHBondContact CG1-NE2 3.37Å; V504-H508 PolarHBondContact O-CD2 2.89Å; V504-H508 PolarHBondContact O-N 3.21Å
505	M	96.7	Very high	95.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-54.6	-48.4	170.8	162.1	162	51.4	0	0	111.7	V448 P456 F470 L493 N495 C497 Q501 Q502 Q507 H508 L509 L591	V448-M505 HydrophobicContact CB-CE 4.45Å; V448-M505 HydrophobicContact CB-SD 4.22Å; V448-M505 HydrophobicContact CG1-CE 4.41Å; V448-M505 HydrophobicContact CG1-SD 4.09Å; V448-M505 HydrophobicContact CG2-SD 3.99Å; P456-M505 HydrophobicContact CG-CB 4.23Å; F470-M505 HydrophobicContact CE1-CB 4.08Å; F470-M505 HydrophobicContact CE1-CG 3.81Å; F470-M505 HydrophobicContact CE2-CG 4.17Å; F470-M505 HydrophobicContact CE2-SD 3.85Å; F470-M505 HydrophobicContact CZ-CB 4.3Å; F470-M505 HydrophobicContact CZ-CG 3.56Å; F470-M505 HydrophobicContact CZ-SD 3.84Å; L493-M505 HydrophobicContact CD2-SD 4.29Å; N495-M505 WeakPolarHBondContact OD1-CE 3.35Å; C497-M505 HydrophobicContact CB-CE 4.44Å; Q501-M505 PolarHBondContact O-N 3.49Å; Q502-M505 HydrophobicContact CG-CE 4.25Å; Q502-M505 PolarHBondContact O-N 2.84Å; M505-Q507 PolarHBondContact O-N 2.95Å; M505-H508 PolarHBondContact O-N 3.37Å; M505-L509 HydrophobicContact CG-CD1 3.83Å; M505-L509 HydrophobicContact CG-CG 4.47Å; M505-L509 WeakPolarHBondContact O-CB 3.41Å; M505-L509 VanDerWaalsContact O-CG 3.3Å; M505-L509 WeakPolarHBondContact O-CG 3.04Å; M505-L509 PolarHBondContact O-N 3.27Å; M505-L591 HydrophobicContact CE-CD2 3.78Å; M505-L591 HydrophobicContact CG-CD1 4.24Å
506	F	96.9	Very high	95.8	Very high	40 Å²	40	53.1 Å²	53.1	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-44.4	174.3	171	-97.4	0	0	0	112.4	Q502 V504 L509 K510 L588 D590 L594	Q502-F506 WeakPolarHBondContact O-CB 3.41Å; Q502-F506 PolarHBondContact O-N 2.8Å; V504-F506 PolarHBondContact O-N 3.33Å; F506-L509 PolarHBondContact O-N 2.9Å; F506-K510 HydrophobicContact CD2-CG 4.31Å; F506-K510 HydrophobicContact CE1-CG 4.15Å; F506-K510 HydrophobicContact CE2-CD 4.48Å; F506-K510 HydrophobicContact CE2-CG 3.75Å; F506-K510 HydrophobicContact CZ-CG 3.66Å; F506-K510 WeakPolarHBondContact O-CB 3.34Å; F506-K510 PolarHBondContact O-N 3.36Å; F506-L588 HydrophobicContact CB-CD2 4.44Å; F506-D590 HydrophobicContact CD1-CB 3.97Å; F506-D590 HydrophobicContact CD2-CB 3.8Å; F506-D590 VanDerWaalsContact CD2-O 3.25Å; F506-D590 WeakPolarHBondContact CD2-O 3.48Å; F506-D590 HydrophobicContact CE1-CB 3.94Å; F506-D590 HydrophobicContact CE2-CB 3.77Å; F506-D590 WeakPolarHBondContact CE2-O 3.5Å; F506-D590 HydrophobicContact CG-CB 3.91Å; F506-D590 HydrophobicContact CZ-CB 3.84Å; F506-L594 HydrophobicContact CD2-CD1 3.74Å; F506-L594 HydrophobicContact CD2-CG 4.19Å; F506-L594 HydrophobicContact CE2-CD1 4Å; F506-L594 HydrophobicContact CE2-CD2 4.19Å; F506-L594 HydrophobicContact CE2-CG 4.07Å
507	Q	97.1	Very high	96.1	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-43.5	177.2	-77	173.5	-1	0	0	112.2	K503 V504 M505 K511	K503-Q507 VanDerWaalsContact O-CG 3.26Å; K503-Q507 WeakPolarHBondContact O-CG 3.44Å; K503-Q507 PolarHBondContact O-N 2.95Å; K503-Q507 VanDerWaalsContact O-N 3.08Å; V504-Q507 WeakPolarHBondContact O-CB 3.49Å; V504-Q507 PolarHBondContact O-N 2.84Å; V504-Q507 VanDerWaalsContact O-N 3.14Å; M505-Q507 PolarHBondContact O-N 2.95Å; Q507-K511 WeakPolarHBondContact O-CB 3.49Å; Q507-K511 PolarHBondContact O-N 3.11Å
508	H	97.7	Very high	96.3	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-46.6	176.3	-69.4	-34.6	0	0	0	111.9	E455 F470 V504 M505 K511 I512	E455-H508 VanDerWaalsContact CD-NE2 3.25Å; E455-H508 IonicContact OE1-CD2 3.71Å; E455-H508 PolarHBondContact OE1-CD2 3.31Å; E455-H508 IonicContact OE1-CE1 3.65Å; E455-H508 IonicContact OE1-NE2 2.64Å; E455-H508 PolarHBondContact OE1-NE2 3.48Å; E455-H508 IonicContact OE2-CD2 3.42Å; E455-H508 IonicContact OE2-CE1 3.67Å; E455-H508 IonicContact OE2-NE2 2.64Å; E455-H508 PolarHBondContact OE2-NE2 2.99Å; F470-H508 HydrophobicContact CD1-CB 4.36Å; F470-H508 HydrophobicContact CE1-CB 4.13Å; V504-H508 WeakPolarHBondContact CG1-NE2 3.37Å; V504-H508 PolarHBondContact O-CD2 2.89Å; V504-H508 PolarHBondContact O-N 3.21Å; M505-H508 PolarHBondContact O-N 3.37Å; H508-K511 PolarHBondContact O-N 3.35Å; H508-I512 HydrophobicContact CB-CD1 4.18Å; H508-I512 WeakPolarHBondContact O-CB 3.43Å; H508-I512 VanDerWaalsContact O-CG1 3.32Å; H508-I512 WeakPolarHBondContact O-CG1 3.49Å; H508-I512 PolarHBondContact O-N 3.14Å
509	L	97.5	Very high	96.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.5	-53.8	176	-75	168.5	0	0	0	111.3	F470 I474 L493 M505 F506 K511 L513 I517 L541 L591 L594	F470-L509 HydrophobicContact CE1-CG 4.28Å; F470-L509 HydrophobicContact CZ-CD1 4.33Å; F470-L509 HydrophobicContact CZ-CD2 4.1Å; F470-L509 HydrophobicContact CZ-CG 3.99Å; I474-L509 HydrophobicContact CD1-CD2 3.87Å; I474-L509 HydrophobicContact CG1-CD2 4.31Å; L493-L509 HydrophobicContact CD1-CD1 4.26Å; M505-L509 HydrophobicContact CG-CD1 3.83Å; M505-L509 HydrophobicContact CG-CG 4.47Å; M505-L509 WeakPolarHBondContact O-CB 3.41Å; M505-L509 VanDerWaalsContact O-CG 3.3Å; M505-L509 WeakPolarHBondContact O-CG 3.04Å; M505-L509 PolarHBondContact O-N 3.27Å; F506-L509 PolarHBondContact O-N 2.9Å; L509-K511 PolarHBondContact O-N 3.26Å; L509-L513 HydrophobicContact CD2-CD1 3.87Å; L509-L513 WeakPolarHBondContact O-CB 3.14Å; L509-L513 PolarHBondContact O-N 2.78Å; L509-I517 HydrophobicContact CB-CD1 4Å; L509-L541 HydrophobicContact CD1-CD1 4.24Å; L509-L591 HydrophobicContact CD1-CD1 4.05Å; L509-L594 HydrophobicContact CD1-CD1 4.38Å
510	K	96.5	Very high	96.1	Very high	85 Å²	85	56.3 Å²	56.3	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-39.7	178	-80.5	-56.5	-153.6	-166.7	0	113.2	F506 G514 L594	F506-K510 HydrophobicContact CD2-CG 4.31Å; F506-K510 HydrophobicContact CE1-CG 4.15Å; F506-K510 HydrophobicContact CE2-CD 4.48Å; F506-K510 HydrophobicContact CE2-CG 3.75Å; F506-K510 HydrophobicContact CZ-CG 3.66Å; F506-K510 WeakPolarHBondContact O-CB 3.34Å; F506-K510 PolarHBondContact O-N 3.36Å; K510-G514 VanDerWaalsContact O-CA 3.29Å; K510-G514 WeakPolarHBondContact O-CA 3.41Å; K510-G514 PolarHBondContact O-N 2.91Å; K510-L594 HydrophobicContact CD-CD2 4.26Å
511	K	97.3	Very high	95.6	Very high	166 Å²	166	54.4 Å²	54.4	72%	0.722	28%	0.276	S	S	*	.	H	α-helix	trans	-73.2	-35.5	-176.3	-178.6	179.4	177.5	-177.1	0	113.4	Q507 H508 L509	Q507-K511 WeakPolarHBondContact O-CB 3.49Å; Q507-K511 PolarHBondContact O-N 3.11Å; H508-K511 PolarHBondContact O-N 3.35Å; L509-K511 PolarHBondContact O-N 3.26Å
512	I	97.8	Very high	95.1	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.118	28%	0.284	C	S	.	.	H	α-helix	trans	-96	-45.5	-171.7	-60.6	165.3	0	0	0	110.9	R471 I474 D475 N478 H508	R471-I512 HydrophobicContact CG-CD1 3.9Å; I474-I512 HydrophobicContact CB-CD1 4.23Å; I474-I512 HydrophobicContact CG2-CB 3.86Å; I474-I512 HydrophobicContact CG2-CD1 4.03Å; I474-I512 HydrophobicContact CG2-CG2 3.83Å; D475-I512 WeakPolarHBondContact OD1-CG2 3.26Å; N478-I512 HydrophobicContact CB-CG2 3.77Å; N478-I512 WeakPolarHBondContact ND2-CG2 3.32Å; N478-I512 PolarHBondContact ND2-O 3.3Å; H508-I512 HydrophobicContact CB-CD1 4.18Å; H508-I512 WeakPolarHBondContact O-CB 3.43Å; H508-I512 VanDerWaalsContact O-CG1 3.32Å; H508-I512 WeakPolarHBondContact O-CG1 3.49Å; H508-I512 PolarHBondContact O-N 3.14Å
513	L	97.1	Very high	94.4	Very high	5 Å²	5	62 Å²	62	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-89.9	-30.4	-177.2	-54.2	-180	0	0	0	112.5	I474 N478 L491 L509 D515 R516 I517 I539	I474-L513 HydrophobicContact CG2-CD1 4.06Å; I474-L513 HydrophobicContact CG2-CD2 3.89Å; I474-L513 HydrophobicContact CG2-CG 3.73Å; N478-L513 HydrophobicContact CB-CD2 3.77Å; L491-L513 HydrophobicContact CD1-CD1 4.22Å; L509-L513 HydrophobicContact CD2-CD1 3.87Å; L509-L513 WeakPolarHBondContact O-CB 3.14Å; L509-L513 PolarHBondContact O-N 2.78Å; L513-D515 PolarHBondContact O-N 3.15Å; L513-R516 WeakPolarHBondContact O-CB 3.15Å; L513-R516 WeakPolarHBondContact O-CG 3.46Å; L513-R516 PolarHBondContact O-N 2.85Å; L513-R516 VanDerWaalsContact O-N 3.1Å; L513-I517 HydrophobicContact CB-CD1 3.97Å; L513-I517 HydrophobicContact CB-CG1 3.71Å; L513-I517 HydrophobicContact CD1-CD1 4.22Å; L513-I517 HydrophobicContact CD1-CG1 4.11Å; L513-I539 HydrophobicContact CB-CD1 4.46Å; L513-I539 HydrophobicContact CD1-CD1 3.99Å; L513-I539 HydrophobicContact CD1-CG2 4.48Å; L513-I539 HydrophobicContact CD2-CD1 3.87Å; L513-I539 HydrophobicContact CG-CD1 4.33Å
514	G	94.9	Very high	93.5	Very high	25 Å²	25	63.7 Å²	63.7	26%	0.258	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	52.2	-130.2	175.7	0	0	0	0	0	113.2	K510 R516 I517	K510-G514 VanDerWaalsContact O-CA 3.29Å; K510-G514 WeakPolarHBondContact O-CA 3.41Å; K510-G514 PolarHBondContact O-N 2.91Å; G514-R516 PolarHBondContact O-N 2.91Å; G514-R516 VanDerWaalsContact O-N 3.08Å; G514-I517 PolarHBondContact O-N 2.85Å; G514-I517 VanDerWaalsContact O-N 3.1Å
515	D	94	Very high	92.6	Very high	150 Å²	150	71 Å²	71	80%	0.802	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-69.5	-1.5	-177.3	-49.5	-44.8	0	0	0	114.3	L513 K538	L513-D515 PolarHBondContact O-N 3.15Å; D515-K538 PolarHBondContact O-NZ 3.18Å
516	R	96.7	Very high	91.9	Very high	97 Å²	97	73.4 Å²	73.4	37%	0.366	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-72.6	-30	168.5	-60.3	174.8	170.7	-163.3	-6.8	111.4	N478 L513 G514 H518 K538 I539	N478-R516 PolarHBondContact O-NH1 3.28Å; N478-R516 PolarHBondContact OD1-NH1 3.33Å; L513-R516 WeakPolarHBondContact O-CB 3.15Å; L513-R516 WeakPolarHBondContact O-CG 3.46Å; L513-R516 PolarHBondContact O-N 2.85Å; L513-R516 VanDerWaalsContact O-N 3.1Å; G514-R516 PolarHBondContact O-N 2.91Å; G514-R516 VanDerWaalsContact O-N 3.08Å; R516-H518 PolarHBondContact O-N 3.21Å; R516-K538 CarbonylContact O-C 3.59Å; R516-K538 VanDerWaalsContact O-CA 3.29Å; R516-K538 WeakPolarHBondContact O-CA 3.42Å; R516-K538 WeakPolarHBondContact O-CD 3.45Å; R516-I539 HydrophobicContact CB-CD1 4.08Å; R516-I539 HydrophobicContact CB-CG1 4.26Å; R516-I539 PolarHBondContact O-N 2.88Å
517	I	97.3	Very high	91.2	Very high	2 Å²	2	75.3 Å²	75.3	1%	0.01	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-68.1	124.8	173.8	-56.4	176	0	0	0	108.1	L509 L513 G514 V519 L541 L594	L509-I517 HydrophobicContact CB-CD1 4Å; L513-I517 HydrophobicContact CB-CD1 3.97Å; L513-I517 HydrophobicContact CB-CG1 3.71Å; L513-I517 HydrophobicContact CD1-CD1 4.22Å; L513-I517 HydrophobicContact CD1-CG1 4.11Å; G514-I517 PolarHBondContact O-N 2.85Å; G514-I517 VanDerWaalsContact O-N 3.1Å; I517-V519 HydrophobicContact CG2-CG1 4.09Å; I517-L541 HydrophobicContact CG2-CG 4.49Å; I517-L594 HydrophobicContact CD1-CD1 4.45Å; I517-L594 HydrophobicContact CG2-CD2 4.35Å
518	H	95.9	Very high	90.9	Very high	17 Å²	17	73.8 Å²	73.8	8%	0.079	38%	0.379	C	S	.	.			trans	-75.1	132.1	170.9	176.7	66.6	0	0	0	109.8	R516 D520 K538 I539 L540 T596 L597	R516-H518 PolarHBondContact O-N 3.21Å; H518-D520 IonicContact CE1-OD2 2.76Å; H518-D520 PolarHBondContact CE1-OD2 2.64Å; H518-D520 IonicContact ND1-OD2 3.07Å; H518-D520 PolarHBondContact ND1-OD2 3.37Å; H518-K538 HydrophobicContact CB-CB 4.29Å; H518-K538 HydrophobicContact CB-CD 4.49Å; H518-I539 PolarHBondContact N-O 2.97Å; H518-L540 HydrophobicContact CB-CD2 3.71Å; H518-T596 PolarHBondContact CD2-OG1 3.15Å; H518-T596 VanDerWaalsContact CD2-OG1 3.25Å; H518-L597 VanDerWaalsContact NE2-CD1 3.31Å; H518-L597 WeakPolarHBondContact NE2-CD1 3.4Å; H518-L597 WeakPolarHBondContact NE2-CG 3.22Å
519	V	93.3	Very high	90.7	Very high	65 Å²	65	73.1 Å²	73.1	39%	0.394	38%	0.376	S	S	.	.			trans	-134.5	2.9	-172.1	-65.8	0	0	0	0	113.1	I517 L594	I517-V519 HydrophobicContact CG2-CG1 4.09Å; V519-L594 HydrophobicContact CG1-CD2 3.97Å
520	D	90.3	Very high	90.6	Very high	95 Å²	95	74.8 Å²	74.8	51%	0.508	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-76.6	136.9	-179.1	-43.1	-74.7	0	0	0	109.2	H518 T596	H518-D520 IonicContact CE1-OD2 2.76Å; H518-D520 PolarHBondContact CE1-OD2 2.64Å; H518-D520 IonicContact ND1-OD2 3.07Å; H518-D520 PolarHBondContact ND1-OD2 3.37Å; D520-T596 VanDerWaalsContact O-CB 3.24Å; D520-T596 WeakPolarHBondContact O-CB 3.24Å; D520-T596 WeakPolarHBondContact O-CG2 3.36Å; D520-T596 PolarHBondContact O-OG1 3.37Å
521	S	84	Confident	90.7	Very high	104 Å²	104	70.9 Å²	70.9	73%	0.727	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-78.5	135.3	178.9	-67.4	0	0	0	0	110.6
522	P	85.3	Confident	90.7	Very high	32 Å²	32	63 Å²	63	21%	0.208	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63.7	146.6	173.6	27.8	-34.3	0	0	0	110.8	L597 W616	P522-L597 HydrophobicContact CB-CD2 4.1Å; P522-W616 HydrophobicContact CB-CB 4.43Å; P522-W616 HydrophobicContact CB-CD2 3.78Å; P522-W616 HydrophobicContact CB-CE3 3.52Å; P522-W616 HydrophobicContact CB-CG 4.19Å; P522-W616 HydrophobicContact CB-CZ3 4Å; P522-W616 HydrophobicContact CG-CB 4.08Å; P522-W616 HydrophobicContact CG-CD2 3.44Å; P522-W616 VanDerWaalsContact CG-CD2 3.44Å; P522-W616 HydrophobicContact CG-CE3 3.76Å; P522-W616 HydrophobicContact CG-CG 3.59Å; P522-W616 HydrophobicContact CG-CZ2 4.4Å; P522-W616 HydrophobicContact CG-CZ3 4.35Å
523	K	83.1	Confident	90.7	Very high	138 Å²	138	63.9 Å²	63.9	60%	0.6	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-80.1	147.6	178.9	-48.7	168.9	-166.8	156.3	0	109.3	E525 D526 W616	K523-E525 PolarHBondContact O-N 3.18Å; K523-D526 WeakPolarHBondContact CA-OD2 3.25Å; K523-D526 VanDerWaalsContact CB-OD2 3.25Å; K523-D526 WeakPolarHBondContact CB-OD2 3.43Å; K523-D526 WeakPolarHBondContact CG-OD2 3.18Å; K523-D526 PolarHBondContact N-OD2 2.71Å; K523-D526 WeakPolarHBondContact O-CB 3.36Å; K523-D526 PolarHBondContact O-N 2.61Å; K523-D526 VanDerWaalsContact O-N 3.12Å; K523-W616 WeakPolarHBondContact O-CZ3 3.46Å
524	L	76.4	Confident	90.7	Very high	145 Å²	145	70.3 Å²	70.3	76%	0.759	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.2	178.7	-74.9	166.2	0	0	0	113.7	W616	L524-W616 HydrophobicContact CD2-CH2 4.37Å
525	E	78.9	Confident	90.8	Very high	174 Å²	174	69.4 Å²	69.4	81%	0.813	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.1	177.3	-67.7	158.7	-138	0	0	113.1	K523 C527	K523-E525 PolarHBondContact O-N 3.18Å; E525-C527 PolarHBondContact O-N 3.1Å; E525-C527 VanDerWaalsContact O-N 3.12Å
526	D	81.1	Confident	91	Very high	52 Å²	52	66.7 Å²	66.7	28%	0.278	35%	0.345	S	S	.	.			trans	-68.1	112.3	-176.5	-65	-29.5	0	0	0	110.1	K523 Y528 P615	K523-D526 WeakPolarHBondContact CA-OD2 3.25Å; K523-D526 VanDerWaalsContact CB-OD2 3.25Å; K523-D526 WeakPolarHBondContact CB-OD2 3.43Å; K523-D526 WeakPolarHBondContact CG-OD2 3.18Å; K523-D526 PolarHBondContact N-OD2 2.71Å; K523-D526 WeakPolarHBondContact O-CB 3.36Å; K523-D526 PolarHBondContact O-N 2.61Å; K523-D526 VanDerWaalsContact O-N 3.12Å; D526-Y528 VanDerWaalsContact C-N 3.27Å; D526-Y528 PolarHBondContact O-N 3.44Å; D526-P615 WeakPolarHBondContact O-CG 3.48Å
527	C	83.3	Confident	91	Very high	80 Å²	80	63.5 Å²	63.5	54%	0.541	34%	0.343	S	S	.	.	S	Bend	trans	-75.9	-13.5	177.7	-88.7	0	0	0	0	114.1	E525 P615 K643	E525-C527 PolarHBondContact O-N 3.1Å; E525-C527 VanDerWaalsContact O-N 3.12Å; C527-P615 VanDerWaalsContact C-CG 3.5Å; C527-P615 WeakPolarHBondContact O-CG 3.22Å; C527-K643 VanDerWaalsContact O-CE 3.24Å; C527-K643 WeakPolarHBondContact O-CE 3.35Å
528	Y	91	Very high	91.1	Very high	73 Å²	73	66.5 Å²	66.5	29%	0.286	36%	0.356	S	S	.	.	S	Bend	trans	-145.9	166.1	-172.7	-75.6	-82.9	0	0	0	110.8	P405 H408 D526	P405-Y528 HydrophobicContact CB-CD1 3.94Å; P405-Y528 HydrophobicContact CB-CG 4.21Å; P405-Y528 HydrophobicContact CG-CD1 3.8Å; P405-Y528 HydrophobicContact CG-CG 3.78Å; H408-Y528 AromaticContact NE2-CE1 3.82Å; D526-Y528 VanDerWaalsContact C-N 3.27Å; D526-Y528 PolarHBondContact O-N 3.44Å
529	L	93.7	Very high	91.2	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.037	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-75.3	152.4	168.4	-78	171.7	0	0	0	111.6	P405 L406 L597 P615 W616 L645	P405-L529 VanDerWaalsContact CA-O 3.3Å; P405-L529 WeakPolarHBondContact CA-O 3.42Å; P405-L529 WeakPolarHBondContact CB-O 3.46Å; L406-L529 HydrophobicContact CB-CB 3.87Å; L406-L529 HydrophobicContact CB-CD1 4.15Å; L406-L529 HydrophobicContact CD2-CD1 4.37Å; L529-L597 HydrophobicContact CD2-CB 3.96Å; L529-L597 HydrophobicContact CD2-CD2 3.93Å; L529-L597 HydrophobicContact CD2-CG 4.37Å; L529-P615 WeakPolarHBondContact CD1-O 3.32Å; L529-P615 HydrophobicContact CG-CB 4.43Å; L529-P615 WeakPolarHBondContact CG-O 3.31Å; L529-W616 HydrophobicContact CD2-CB 4.14Å; L529-L645 HydrophobicContact CD1-CD1 3.53Å; L529-L645 HydrophobicContact CD1-CG 3.78Å
530	P	95.4	Very high	91.4	Very high	36 Å²	36	62.8 Å²	62.8	23%	0.234	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-56.6	163.2	169.5	-22.1	32.9	0	0	0	112.6	L406 L535 L597	L406-P530 WeakPolarHBondContact CB-O 3.42Å; L406-P530 PolarHBondContact N-O 3.49Å; P530-L535 HydrophobicContact CB-CD1 4.08Å; P530-L535 HydrophobicContact CB-CD2 4.47Å; P530-L535 HydrophobicContact CB-CG 4.12Å; P530-L597 HydrophobicContact CG-CD1 4.05Å; P530-L597 HydrophobicContact CG-CD2 4.46Å
531	S	97.1	Very high	91.8	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.021	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-80.4	158.5	-178.8	67.8	0	0	0	0	113.9	N403 Q404 S533 E534 L535	N403-S531 VanDerWaalsContact C-CB 3.47Å; Q404-S531 WeakPolarHBondContact O-CA 3.19Å; Q404-S531 WeakPolarHBondContact O-CB 3.34Å; S531-S533 PolarHBondContact O-N 2.92Å; S531-E534 VanDerWaalsContact CB-OE2 3.24Å; S531-E534 WeakPolarHBondContact CB-OE2 3.33Å; S531-E534 PolarHBondContact N-OE2 3.44Å; S531-E534 PolarHBondContact O-N 3.28Å; S531-E534 WeakPolarHBondContact OG-CG 3.42Å; S531-E534 PolarHBondContact OG-N 3.08Å; S531-E534 VanDerWaalsContact OG-N 3.16Å; S531-E534 PolarHBondContact OG-OE2 3.02Å; S531-L535 WeakPolarHBondContact O-CG 3.25Å; S531-L535 PolarHBondContact O-N 2.96Å
532	P	98.1	Very high	92.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.7	167.4	-25.7	34	0	0	0	113.4	M402 Q404 L406 Y409 F487 P488 L535 K536 Y699	M402-P532 HydrophobicContact CE-CB 3.92Å; M402-P532 HydrophobicContact CE-CG 4.33Å; M402-P532 WeakPolarHBondContact O-CD 3.38Å; Q404-P532 VanDerWaalsContact O-CD 3.32Å; Q404-P532 WeakPolarHBondContact O-CD 3.35Å; L406-P532 HydrophobicContact CD1-CG 4.03Å; Y409-P532 HydrophobicContact CD2-CG 3.72Å; Y409-P532 HydrophobicContact CE1-CG 4.41Å; Y409-P532 VanDerWaalsContact CE2-CD 3.47Å; Y409-P532 HydrophobicContact CE2-CG 3.53Å; Y409-P532 HydrophobicContact CG-CG 4.27Å; F487-P532 HydrophobicContact CD1-CB 3.69Å; F487-P532 WeakPolarHBondContact CD1-O 3.38Å; F487-P532 HydrophobicContact CE1-CB 4.29Å; F487-P532 HydrophobicContact CG-CB 4.49Å; P488-P532 WeakPolarHBondContact CD-O 3.42Å; P532-L535 PolarHBondContact O-N 2.76Å; P532-K536 PolarHBondContact O-N 2.91Å; P532-Y699 HydrophobicContact CG-CD1 4.1Å; P532-Y699 HydrophobicContact CG-CE1 4.35Å
533	S	97.8	Very high	92.7	Very high	42 Å²	42	52.3 Å²	52.3	29%	0.294	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-47.6	178.1	-165.7	0	0	0	0	112.4	M402 N403 S531 L535 K536	M402-S533 VanDerWaalsContact O-CB 3.25Å; M402-S533 WeakPolarHBondContact O-CB 3.5Å; M402-S533 PolarHBondContact O-N 3.45Å; M402-S533 VanDerWaalsContact O-N 3.07Å; N403-S533 VanDerWaalsContact OD1-CB 3.25Å; N403-S533 WeakPolarHBondContact OD1-CB 3.42Å; N403-S533 PolarHBondContact OD1-OG 3.3Å; S531-S533 PolarHBondContact O-N 2.92Å; S533-L535 VanDerWaalsContact C-N 3.28Å; S533-L535 PolarHBondContact O-N 3.06Å; S533-K536 WeakPolarHBondContact O-CG 3.32Å; S533-K536 PolarHBondContact O-N 3.3Å
534	E	96.9	Very high	93	Very high	139 Å²	139	46.9 Å²	46.9	65%	0.65	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.9	177.4	-69.2	160.3	110.6	0	0	112.9	S531	S531-E534 VanDerWaalsContact CB-OE2 3.24Å; S531-E534 WeakPolarHBondContact CB-OE2 3.33Å; S531-E534 PolarHBondContact N-OE2 3.44Å; S531-E534 PolarHBondContact O-N 3.28Å; S531-E534 WeakPolarHBondContact OG-CG 3.42Å; S531-E534 PolarHBondContact OG-N 3.08Å; S531-E534 VanDerWaalsContact OG-N 3.16Å; S531-E534 PolarHBondContact OG-OE2 3.02Å
535	L	97.4	Very high	93.7	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	15.3	-177.2	-64.8	174.7	0	0	0	113.6	P488 P530 S531 P532 S533 G537 K538 L540 L597	P488-L535 HydrophobicContact CB-CB 3.96Å; P488-L535 WeakPolarHBondContact CB-O 3.47Å; P488-L535 WeakPolarHBondContact CD-O 3.16Å; P488-L535 HydrophobicContact CG-CB 3.69Å; P530-L535 HydrophobicContact CB-CD1 4.08Å; P530-L535 HydrophobicContact CB-CD2 4.47Å; P530-L535 HydrophobicContact CB-CG 4.12Å; S531-L535 WeakPolarHBondContact O-CG 3.25Å; S531-L535 PolarHBondContact O-N 2.96Å; P532-L535 PolarHBondContact O-N 2.76Å; S533-L535 VanDerWaalsContact C-N 3.28Å; S533-L535 PolarHBondContact O-N 3.06Å; L535-G537 PolarHBondContact O-N 2.76Å; L535-K538 WeakPolarHBondContact O-CB 3.45Å; L535-K538 PolarHBondContact O-N 3.09Å; L535-K538 VanDerWaalsContact O-N 3.12Å; L535-L540 HydrophobicContact CD1-CD1 4.27Å; L535-L540 HydrophobicContact CD2-CD2 4.48Å; L535-L597 HydrophobicContact CD1-CD1 3.9Å; L535-L597 HydrophobicContact CD2-CD1 4.04Å
536	K	97.9	Very high	94.2	Very high	92 Å²	92	35.2 Å²	35.2	40%	0.4	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	137.3	175.9	-83	-173	174.6	-157.9	0	112.5	E486 F487 P532 S533 K538	E486-K536 HydrophobicContact CB-CD 4.36Å; E486-K536 HydrophobicContact CB-CG 4.42Å; E486-K536 WeakPolarHBondContact O-CA 3.49Å; E486-K536 WeakPolarHBondContact OE2-CE 3.36Å; E486-K536 IonicContact OE2-NZ 2.73Å; E486-K536 PolarHBondContact OE2-NZ 3.05Å; F487-K536 HydrophobicContact CD1-CG 4.16Å; F487-K536 HydrophobicContact CE1-CG 4.26Å; P532-K536 PolarHBondContact O-N 2.91Å; S533-K536 WeakPolarHBondContact O-CG 3.32Å; S533-K536 PolarHBondContact O-N 3.3Å; K536-K538 PolarHBondContact O-N 3.49Å
537	G	97.6	Very high	94.3	Very high	31 Å²	31	37.8 Å²	37.8	32%	0.32	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	6.4	-178.3	0	0	0	0	0	115.1	F482 E486 L535	F482-G537 WeakPolarHBondContact CE2-O 3.41Å; F482-G537 WeakPolarHBondContact CZ-O 3.35Å; E486-G537 PolarHBondContact O-N 3.33Å; L535-G537 PolarHBondContact O-N 2.76Å
538	K	98.3	Very high	93.9	Very high	65 Å²	65	40.7 Å²	40.7	28%	0.283	22%	0.216	S	C	.	.			trans	-99	151.7	-179.7	-62.8	-66.2	-177.6	169.1	0	113.3	F482 P488 L489 D515 R516 H518 L535 K536	F482-K538 WeakPolarHBondContact CZ-O 3.08Å; P488-K538 VanDerWaalsContact CA-O 3.24Å; P488-K538 WeakPolarHBondContact CA-O 3.26Å; L489-K538 PolarHBondContact N-O 3.2Å; D515-K538 PolarHBondContact O-NZ 3.18Å; R516-K538 CarbonylContact O-C 3.59Å; R516-K538 VanDerWaalsContact O-CA 3.29Å; R516-K538 WeakPolarHBondContact O-CA 3.42Å; R516-K538 WeakPolarHBondContact O-CD 3.45Å; H518-K538 HydrophobicContact CB-CB 4.29Å; H518-K538 HydrophobicContact CB-CD 4.49Å; L535-K538 WeakPolarHBondContact O-CB 3.45Å; L535-K538 PolarHBondContact O-N 3.09Å; L535-K538 VanDerWaalsContact O-N 3.12Å; K536-K538 PolarHBondContact O-N 3.49Å
539	I	98.6	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	177	-57.8	179	0	0	0	107.4	F482 L489 L491 L513 R516 H518 L541	F482-I539 HydrophobicContact CE2-CD1 4.33Å; F482-I539 HydrophobicContact CE2-CG1 4.09Å; F482-I539 HydrophobicContact CZ-CG1 3.8Å; L489-I539 HydrophobicContact CB-CG1 4.49Å; L489-I539 CarbonylContact O-C 3.5Å; L489-I539 VanDerWaalsContact O-CA 3.28Å; L489-I539 WeakPolarHBondContact O-CA 3.29Å; L491-I539 HydrophobicContact CD1-CG2 3.66Å; L491-I539 HydrophobicContact CD2-CG2 4.45Å; L491-I539 HydrophobicContact CG-CG2 3.64Å; L513-I539 HydrophobicContact CB-CD1 4.46Å; L513-I539 HydrophobicContact CD1-CD1 3.99Å; L513-I539 HydrophobicContact CD1-CG2 4.48Å; L513-I539 HydrophobicContact CD2-CD1 3.87Å; L513-I539 HydrophobicContact CG-CD1 4.33Å; R516-I539 HydrophobicContact CB-CD1 4.08Å; R516-I539 HydrophobicContact CB-CG1 4.26Å; R516-I539 PolarHBondContact O-N 2.88Å; H518-I539 PolarHBondContact N-O 2.97Å; I539-L541 HydrophobicContact CG2-CD2 4.45Å
540	L	98.2	Very high	92.4	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.2	177.7	-48.7	-175.3	0	0	0	108.8	L406 L489 I490 L491 H518 L535 L597	L406-L540 HydrophobicContact CD2-CD1 3.93Å; L489-L540 PolarHBondContact O-N 2.67Å; I490-L540 WeakPolarHBondContact CA-O 3.37Å; I490-L540 HydrophobicContact CG1-CB 4.43Å; I490-L540 HydrophobicContact CG1-CD1 4.33Å; L491-L540 PolarHBondContact N-O 2.85Å; H518-L540 HydrophobicContact CB-CD2 3.71Å; L535-L540 HydrophobicContact CD1-CD1 4.27Å; L535-L540 HydrophobicContact CD2-CD2 4.48Å; L540-L597 HydrophobicContact CD2-CD1 4.25Å
541	L	97.4	Very high	91.5	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.2	172.5	-55.4	-171.1	0	0	0	110	L491 L493 L509 I517 I539 L594 V595	L491-L541 HydrophobicContact CB-CD2 3.89Å; L491-L541 HydrophobicContact CD1-CD2 3.9Å; L491-L541 HydrophobicContact CG-CD2 4.2Å; L493-L541 HydrophobicContact CD1-CB 4.37Å; L493-L541 HydrophobicContact CD1-CD1 3.91Å; L493-L541 HydrophobicContact CD1-CD2 4.16Å; L493-L541 HydrophobicContact CD1-CG 4.38Å; L509-L541 HydrophobicContact CD1-CD1 4.24Å; I517-L541 HydrophobicContact CG2-CG 4.49Å; I539-L541 HydrophobicContact CG2-CD2 4.45Å; L541-L594 HydrophobicContact CD1-CB 3.61Å; L541-L594 HydrophobicContact CD1-CD1 3.88Å; L541-L594 HydrophobicContact CD1-CG 4.41Å; L541-V595 HydrophobicContact CB-CG2 4.31Å
542	K	95.7	Very high	90.8	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.3	163.2	172.7	-81.2	-167	176.1	0	108.2	I490 L491 C492 L493 E562 C598 L618	I490-K542 HydrophobicContact CG2-CB 4.1Å; L491-K542 PolarHBondContact O-N 3.28Å; C492-K542 HydrophobicContact CB-CD 4.15Å; L493-K542 PolarHBondContact N-O 3.37Å; K542-E562 WeakPolarHBondContact CE-OE1 3.45Å; K542-E562 IonicContact NZ-OE1 2.82Å; K542-E562 PolarHBondContact NZ-OE1 3.36Å; K542-C598 WeakPolarHBondContact CA-O 3.48Å; K542-C598 HydrophobicContact CB-CB 3.98Å; K542-L618 HydrophobicContact CG-CD2 4.19Å
543	G	92.3	Very high	90.1	Very high	6 Å²	6	56.6 Å²	56.6	6%	0.062	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-178.9	179.3	177.8	0	0	0	0	0	113	C598 S600	G543-C598 PolarHBondContact N-O 3.35Å; G543-S600 WeakPolarHBondContact O-CB 3.19Å; G543-S600 PolarHBondContact O-N 2.79Å
544	K	89.5	Confident	89.6	Confident	24 Å²	24	59.5 Å²	59.5	10%	0.104	34%	0.335	C	S	.	.			trans	-71.1	149.6	173.1	-65.7	162.6	177	164.4	0	110.1	V557 T558 D559 D561 L587	K544-V557 HydrophobicContact CB-CB 4.34Å; K544-V557 HydrophobicContact CB-CG1 4.42Å; K544-V557 HydrophobicContact CB-CG2 4.06Å; K544-V557 HydrophobicContact CD-CG2 3.83Å; K544-V557 HydrophobicContact CG-CG2 4.45Å; K544-T558 WeakPolarHBondContact CE-O 3.39Å; K544-D559 IonicContact NZ-OD1 2.56Å; K544-D559 PolarHBondContact NZ-OD1 2.98Å; K544-D561 WeakPolarHBondContact CE-OD1 3.32Å; K544-D561 VanDerWaalsContact CE-OD2 3.31Å; K544-D561 WeakPolarHBondContact CE-OD2 3.44Å; K544-D561 IonicContact NZ-OD1 3.6Å; K544-D561 PolarHBondContact NZ-OD1 2.88Å; K544-D561 IonicContact NZ-OD2 2.97Å; K544-D561 PolarHBondContact NZ-OD2 3.5Å; K544-L587 HydrophobicContact CB-CD2 4.21Å; K544-L587 WeakPolarHBondContact O-CD2 3.29Å
545	K	90.8	Very high	89.1	Confident	57 Å²	57	53.8 Å²	53.8	25%	0.248	31%	0.313	C	S	.	.			trans	-134.1	138.1	178.3	-163.8	-175.7	-175.5	71.3	0	110.9	S592 V595 K599	K545-S592 WeakPolarHBondContact CG-OG 3.29Å; K545-S592 PolarHBondContact NZ-O 3.17Å; K545-V595 HydrophobicContact CB-CG1 4.47Å; K545-V595 WeakPolarHBondContact CD-O 3.33Å; K545-V595 WeakPolarHBondContact CE-O 3.18Å; K545-V595 PolarHBondContact NZ-O 2.85Å; K545-K599 HydrophobicContact CB-CD 4.23Å; K545-K599 HydrophobicContact CB-CG 4Å
546	L	90.6	Very high	88.6	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.084	34%	0.34	C	S	.	.			trans	-65.7	158	171	-64.7	173	0	0	0	111.5	C550 V557 L587 K589 S592	L546-C550 HydrophobicContact CB-CB 4.26Å; L546-V557 HydrophobicContact CD2-CG1 3.92Å; L546-L587 HydrophobicContact CD2-CB 4.27Å; L546-L587 HydrophobicContact CG-CD2 4.24Å; L546-L587 HydrophobicContact CG-CG 4.47Å; L546-K589 HydrophobicContact CD1-CB 4.12Å; L546-K589 HydrophobicContact CD1-CG 4.19Å; L546-S592 PolarHBondContact N-OG 3.45Å
547	D	82.2	Confident	87.9	Confident	107 Å²	107	55.9 Å²	55.9	57%	0.572	33%	0.325	S	S	*	.			trans	-60.3	137.9	168.4	-168.8	-49.2	0	0	0	110.2	N549 C550	D547-N549 PolarHBondContact O-N 3.27Å; D547-N549 VanDerWaalsContact O-N 3.07Å; D547-N549 WeakPolarHBondContact OD1-CB 3.49Å; D547-N549 PolarHBondContact OD1-N 2.96Å; D547-N549 PolarHBondContact OD1-ND2 3.07Å; D547-C550 WeakPolarHBondContact O-CB 3.3Å; D547-C550 PolarHBondContact O-N 2.86Å
548	T	76.2	Confident	87.1	Confident	141 Å²	141	56.9 Å²	56.9	87%	0.865	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.1	177.1	-36.8	0	0	0	0	113.1	C550	T548-C550 VanDerWaalsContact C-N 3.27Å; T548-C550 PolarHBondContact O-N 3.11Å
549	N	75	Confident	85.8	Confident	134 Å²	134	54.8 Å²	54.8	72%	0.717	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.8	176.8	-60.5	-75.5	0	0	0	113.7	D547 T551	D547-N549 PolarHBondContact O-N 3.27Å; D547-N549 VanDerWaalsContact O-N 3.07Å; D547-N549 WeakPolarHBondContact OD1-CB 3.49Å; D547-N549 PolarHBondContact OD1-N 2.96Å; D547-N549 PolarHBondContact OD1-ND2 3.07Å; N549-T551 PolarHBondContact O-N 3.25Å
550	C	77.9	Confident	84.1	Confident	32 Å²	32	57.9 Å²	57.9	22%	0.216	33%	0.331	C	S	.	.			trans	-74.5	107.4	179.5	-167.2	0	0	0	0	111.5	L546 D547 T548 K589	L546-C550 HydrophobicContact CB-CB 4.26Å; D547-C550 WeakPolarHBondContact O-CB 3.3Å; D547-C550 PolarHBondContact O-N 2.86Å; T548-C550 VanDerWaalsContact C-N 3.27Å; T548-C550 PolarHBondContact O-N 3.11Å; C550-K589 WeakPolarHBondContact O-CE 3.4Å
551	T	76.6	Confident	82.3	Confident	147 Å²	147	58.2 Å²	58.2	90%	0.902	33%	0.333	S	S	*	.			trans	-92.7	-5.2	177.8	52.9	0	0	0	0	114.1	N549	N549-T551 PolarHBondContact O-N 3.25Å
552	A	82.5	Confident	80.5	Confident	50 Å²	50	58.6 Å²	58.6	41%	0.413	33%	0.334	S	S	.	.	S	Bend	trans	-82.3	159	175.7	0	0	0	0	0	111.7	E554	A552-E554 VanDerWaalsContact CB-O 3.31Å; A552-E554 WeakPolarHBondContact CB-O 3.25Å; A552-E554 PolarHBondContact O-N 3.39Å
553	S	82.4	Confident	78.3	Confident	89 Å²	89	59.8 Å²	59.8	62%	0.622	35%	0.347	S	S	*	.	S	Bend	trans	-71.7	-15.3	176.3	50.3	0	0	0	0	114	K589	S553-K589 WeakPolarHBondContact O-CB 3.42Å; S553-K589 PolarHBondContact O-N 3.32Å
554	E	86.9	Confident	76.2	Confident	104 Å²	104	60 Å²	60	49%	0.486	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.2	179	61.2	-172.7	-169.2	0	0	108.9	V499 A552 L587	V499-E554 HydrophobicContact CG1-CB 4.45Å; A552-E554 VanDerWaalsContact CB-O 3.31Å; A552-E554 WeakPolarHBondContact CB-O 3.25Å; A552-E554 PolarHBondContact O-N 3.39Å; E554-L587 WeakPolarHBondContact CA-O 3.23Å
555	G	87.2	Confident	74.4	Confident	19 Å²	19	62.4 Å²	62.4	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	174.6	175.7	0	0	0	0	0	111.6	P586 L587	G555-P586 CarbonylContact O-C 3.55Å; G555-P586 WeakPolarHBondContact O-CA 3.21Å; G555-L587 PolarHBondContact N-O 2.93Å; G555-L587 VanDerWaalsContact N-O 3.08Å; G555-L587 PolarHBondContact O-N 2.85Å
556	E	86.3	Confident	72.3	Confident	129 Å²	129	62.4 Å²	62.4	60%	0.603	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.8	179.7	-56.4	-178.7	135.6	0	0	111.8	K584	E556-K584 HydrophobicContact CB-CB 4.38Å; E556-K584 HydrophobicContact CB-CD 3.87Å; E556-K584 HydrophobicContact CG-CD 4.29Å; E556-K584 WeakPolarHBondContact OE2-CD 3.46Å; E556-K584 WeakPolarHBondContact OE2-CE 3.35Å; E556-K584 IonicContact OE2-NZ 2.63Å; E556-K584 PolarHBondContact OE2-NZ 3.37Å
557	V	84.6	Confident	70.3	Confident	14 Å²	14	63.1 Å²	63.1	9%	0.085	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.9	165.9	-66.9	0	0	0	0	110.4	K544 L546 K584 I585 L587	K544-V557 HydrophobicContact CB-CB 4.34Å; K544-V557 HydrophobicContact CB-CG1 4.42Å; K544-V557 HydrophobicContact CB-CG2 4.06Å; K544-V557 HydrophobicContact CD-CG2 3.83Å; K544-V557 HydrophobicContact CG-CG2 4.45Å; L546-V557 HydrophobicContact CD2-CG1 3.92Å; V557-K584 CarbonylContact O-C 3.46Å; V557-K584 VanDerWaalsContact O-CA 3.26Å; V557-K584 WeakPolarHBondContact O-CA 3.48Å; V557-I585 WeakPolarHBondContact CG2-O 3.37Å; V557-I585 PolarHBondContact N-O 2.91Å; V557-I585 PolarHBondContact O-N 3.48Å; V557-L587 HydrophobicContact CG1-CB 4.2Å; V557-L587 HydrophobicContact CG1-CD2 3.67Å; V557-L587 HydrophobicContact CG2-CB 3.96Å; V557-L587 HydrophobicContact CG2-CD2 4.18Å
558	T	80.5	Confident	68.8	Low	51 Å²	51	63.3 Å²	63.3	31%	0.313	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	145.5	173.3	28	0	0	0	0	111.7	K544 E560 P582	K544-T558 WeakPolarHBondContact CE-O 3.39Å; T558-E560 WeakPolarHBondContact CB-OE1 3.42Å; T558-E560 PolarHBondContact O-N 3.16Å; T558-E560 VanDerWaalsContact O-N 3.08Å; T558-E560 PolarHBondContact OG1-OE1 3.48Å; T558-P582 HydrophobicContact CG2-CB 4.03Å; T558-P582 HydrophobicContact CG2-CG 4.07Å
559	D	71.4	Confident	67.7	Low	21 Å²	21	63.9 Å²	63.9	11%	0.112	35%	0.352	C	S	.	.			trans	-86.1	76.7	-178.2	-163.4	15	0	0	0	112.4	K544 K583 I585	K544-D559 IonicContact NZ-OD1 2.56Å; K544-D559 PolarHBondContact NZ-OD1 2.98Å; D559-K583 HydrophobicContact CB-CB 3.91Å; D559-K583 HydrophobicContact CB-CD 4.37Å; D559-K583 HydrophobicContact CB-CG 4Å; D559-K583 VanDerWaalsContact CB-O 3.26Å; D559-K583 WeakPolarHBondContact CB-O 3.43Å; D559-K583 PolarHBondContact N-O 3.29Å; D559-K583 VanDerWaalsContact OD2-CD 3.28Å; D559-K583 WeakPolarHBondContact OD2-CD 3.47Å; D559-K583 VanDerWaalsContact OD2-CE 3.29Å; D559-K583 WeakPolarHBondContact OD2-CE 3.48Å; D559-K583 IonicContact OD2-NZ 3.48Å; D559-K583 PolarHBondContact OD2-NZ 3.39Å; D559-I585 HydrophobicContact CB-CD1 4.13Å; D559-I585 HydrophobicContact CB-CG1 4.19Å; D559-I585 VanDerWaalsContact CG-CD1 3.43Å; D559-I585 VanDerWaalsContact OD1-CD1 3.24Å; D559-I585 WeakPolarHBondContact OD1-CD1 3.37Å
560	E	63.2	Low	66.4	Low	66 Å²	66	63.6 Å²	63.6	31%	0.308	35%	0.347	S	S	.	.			trans	-100.7	24.1	-179.4	-63.8	164.3	-152.4	0	0	112.5	T558 E602	T558-E560 WeakPolarHBondContact CB-OE1 3.42Å; T558-E560 PolarHBondContact O-N 3.16Å; T558-E560 VanDerWaalsContact O-N 3.08Å; T558-E560 PolarHBondContact OG1-OE1 3.48Å; E560-E602 HydrophobicContact CG-CB 4.34Å; E560-E602 PolarHBondContact OE2-N 3.08Å
561	D	59.4	Low	64.9	Low	10 Å²	10	65 Å²	65	5%	0.053	36%	0.358	C	S	.	.			trans	-87.6	156.3	-178.2	-83	-14.9	0	0	0	112.5	E494 K544 A564	E494-D561 HydrophobicContact CG-CB 3.65Å; K544-D561 WeakPolarHBondContact CE-OD1 3.32Å; K544-D561 VanDerWaalsContact CE-OD2 3.31Å; K544-D561 WeakPolarHBondContact CE-OD2 3.44Å; K544-D561 IonicContact NZ-OD1 3.6Å; K544-D561 PolarHBondContact NZ-OD1 2.88Å; K544-D561 IonicContact NZ-OD2 2.97Å; K544-D561 PolarHBondContact NZ-OD2 3.5Å; D561-A564 VanDerWaalsContact O-CB 3.26Å; D561-A564 WeakPolarHBondContact O-CB 3.37Å; D561-A564 PolarHBondContact O-N 2.69Å
562	E	58.6	Low	63.5	Low	12 Å²	12	64.4 Å²	64.4	6%	0.056	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-35.2	-156.3	-60.9	169.8	-140.8	0	0	111.6	E494 K542 A564 S620 R647 Y649	E494-E562 WeakPolarHBondContact OE2-CA 3.39Å; E494-E562 WeakPolarHBondContact OE2-CB 3.44Å; E494-E562 PolarHBondContact OE2-N 3.31Å; K542-E562 WeakPolarHBondContact CE-OE1 3.45Å; K542-E562 IonicContact NZ-OE1 2.82Å; K542-E562 PolarHBondContact NZ-OE1 3.36Å; E562-A564 PolarHBondContact O-N 3.36Å; E562-S620 WeakPolarHBondContact OE1-CB 3.44Å; E562-S620 PolarHBondContact OE1-OG 3.37Å; E562-R647 IonicContact OE1-NH1 3.36Å; E562-R647 IonicContact OE2-CZ 2.71Å; E562-R647 IonicContact OE2-NH1 2.69Å; E562-R647 PolarHBondContact OE2-NH1 2.99Å; E562-Y649 HydrophobicContact CB-CE1 4.16Å; E562-Y649 HydrophobicContact CB-CE2 3.99Å; E562-Y649 HydrophobicContact CG-CD1 4.36Å; E562-Y649 HydrophobicContact CG-CE1 3.73Å; E562-Y649 HydrophobicContact CG-CE2 4.47Å; E562-Y649 WeakPolarHBondContact OE2-CD1 3.49Å; E562-Y649 VanDerWaalsContact OE2-CE1 3.24Å; E562-Y649 WeakPolarHBondContact OE2-CE1 3.13Å
563	G	50.7	Low	61.6	Low	27 Å²	27	71 Å²	71	28%	0.278	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-5.5	170.7	0	0	0	0	0	115.6	E494 E565 S567	E494-G563 WeakPolarHBondContact OE1-CA 3.19Å; E494-G563 PolarHBondContact OE1-N 2.81Å; E494-G563 VanDerWaalsContact OE1-N 3.08Å; E494-G563 PolarHBondContact OE2-N 3.41Å; G563-E565 VanDerWaalsContact C-N 3.35Å; G563-E565 PolarHBondContact O-N 2.76Å; G563-S567 PolarHBondContact O-OG 2.89Å
564	A	48.1	Very low	59.6	Low	9 Å²	9	70.4 Å²	70.4	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-67	-31.9	-179.8	0	0	0	0	0	113	D561 E562 M566 S567 Q568	D561-A564 VanDerWaalsContact O-CB 3.26Å; D561-A564 WeakPolarHBondContact O-CB 3.37Å; D561-A564 PolarHBondContact O-N 2.69Å; E562-A564 PolarHBondContact O-N 3.36Å; A564-M566 PolarHBondContact O-N 3.21Å; A564-S567 PolarHBondContact O-N 3.4Å; A564-Q568 WeakPolarHBondContact O-CB 3.42Å; A564-Q568 VanDerWaalsContact O-CG 3.26Å; A564-Q568 WeakPolarHBondContact O-CG 3.4Å; A564-Q568 PolarHBondContact O-N 3.49Å
565	E	51.6	Low	57.1	Low	75 Å²	75	72 Å²	72	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-63.1	-41.3	-175.8	-65.6	-164.1	139.5	0	0	113.1	G563 R569 N622	G563-E565 VanDerWaalsContact C-N 3.35Å; G563-E565 PolarHBondContact O-N 2.76Å; E565-R569 WeakPolarHBondContact O-CG 3.35Å; E565-R569 PolarHBondContact O-N 3.15Å; E565-R569 VanDerWaalsContact O-N 3.14Å; E565-N622 PolarHBondContact OE2-ND2 2.84Å
566	M	46.9	Very low	55	Low	57 Å²	57	79 Å²	79	28%	0.281	41%	0.41	S	S	.	.	H	α-helix	trans	-69	-44.8	179.4	-167	63.3	152.5	0	0	110.7	A564 Q568 R569 M570 P652 M653	A564-M566 PolarHBondContact O-N 3.21Å; M566-Q568 PolarHBondContact O-N 2.73Å; M566-R569 PolarHBondContact O-N 2.67Å; M566-M570 WeakPolarHBondContact O-CG 3.33Å; M566-M570 PolarHBondContact O-N 3.16Å; M566-P652 HydrophobicContact CB-CB 4.1Å; M566-P652 HydrophobicContact CG-CB 4.39Å; M566-P652 HydrophobicContact SD-CB 3.99Å; M566-M653 HydrophobicContact CE-CE 4.45Å; M566-M653 HydrophobicContact SD-CE 3.88Å
567	S	48.3	Very low	52.8	Low	32 Å²	32	81.6 Å²	81.6	22%	0.224	42%	0.422	C	S	.	.	H	α-helix	trans	-60	-44.9	177.4	-54.5	0	0	0	0	111.7	H462 G563 A564 M570 S571	H462-S567 PolarHBondContact CD2-OG 2.71Å; G563-S567 PolarHBondContact O-OG 2.89Å; A564-S567 PolarHBondContact O-N 3.4Å; S567-M570 PolarHBondContact O-N 3.13Å; S567-S571 PolarHBondContact O-N 2.99Å
568	Q	50.7	Low	50.6	Low	110 Å²	110	89.6 Å²	89.6	51%	0.514	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.7	-74.6	173.9	23.9	0	0	111.5	A564 M566 M570 S571 I572	A564-Q568 WeakPolarHBondContact O-CB 3.42Å; A564-Q568 VanDerWaalsContact O-CG 3.26Å; A564-Q568 WeakPolarHBondContact O-CG 3.4Å; A564-Q568 PolarHBondContact O-N 3.49Å; M566-Q568 PolarHBondContact O-N 2.73Å; Q568-M570 PolarHBondContact O-N 2.98Å; Q568-S571 PolarHBondContact O-N 2.99Å; Q568-S571 VanDerWaalsContact O-N 3.13Å; Q568-S571 PolarHBondContact O-OG 3.47Å; Q568-I572 PolarHBondContact O-N 2.9Å
569	R	53.8	Low	48.5	Very low	154 Å²	154	93.1 Å²	93.1	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-63.5	-42.4	179.5	-73.3	179	-173.9	-128.9	3.6	113.1	E565 M566 S571 I572	E565-R569 WeakPolarHBondContact O-CG 3.35Å; E565-R569 PolarHBondContact O-N 3.15Å; E565-R569 VanDerWaalsContact O-N 3.14Å; M566-R569 PolarHBondContact O-N 2.67Å; R569-S571 PolarHBondContact O-N 3Å; R569-I572 WeakPolarHBondContact O-CB 3.39Å; R569-I572 PolarHBondContact O-N 3.27Å; R569-I572 VanDerWaalsContact O-N 3.13Å
570	M	47.4	Very low	47.2	Very low	127 Å²	127	100.3 Å²	100.3	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-29.3	175	-67.7	-62	-67.8	0	0	112.3	M566 S567 Q568	M566-M570 WeakPolarHBondContact O-CG 3.33Å; M566-M570 PolarHBondContact O-N 3.16Å; S567-M570 PolarHBondContact O-N 3.13Å; Q568-M570 PolarHBondContact O-N 2.98Å
571	S	46.5	Very low	46.6	Very low	62 Å²	62	100.4 Å²	100.4	43%	0.434	53%	0.531	S	S	.	.	H	α-helix	trans	-76.4	-17	175.7	69.6	0	0	0	0	114.9	S567 Q568 R569 E573 S574	S567-S571 PolarHBondContact O-N 2.99Å; Q568-S571 PolarHBondContact O-N 2.99Å; Q568-S571 VanDerWaalsContact O-N 3.13Å; Q568-S571 PolarHBondContact O-OG 3.47Å; R569-S571 PolarHBondContact O-N 3Å; S571-E573 PolarHBondContact O-N 3.19Å; S571-S574 CarbonylContact O-C 3.1Å; S571-S574 PolarHBondContact O-N 2.84Å; S571-S574 PolarHBondContact O-OG 3.17Å
572	I	47.5	Very low	46.7	Very low	135 Å²	135	104.3 Å²	104.3	69%	0.692	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-26.1	-179.2	-69.1	172.3	0	0	0	112.4	Q568 R569 S574	Q568-I572 PolarHBondContact O-N 2.9Å; R569-I572 WeakPolarHBondContact O-CB 3.39Å; R569-I572 PolarHBondContact O-N 3.27Å; R569-I572 VanDerWaalsContact O-N 3.13Å; I572-S574 PolarHBondContact O-N 3.35Å
573	E	41.6	Very low	47.4	Very low	189 Å²	189	109.6 Å²	109.6	88%	0.883	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-3	173.4	-62.2	-162.7	146.7	0	0	113.5	S571	S571-E573 PolarHBondContact O-N 3.19Å
574	S	40	Very low	48.9	Very low	76 Å²	76	114 Å²	114	53%	0.531	59%	0.591	S	S	.	*	S	Bend	trans	-142.3	101.5	-176.4	56.9	0	0	0	0	114.3	S571 I572	S571-S574 CarbonylContact O-C 3.1Å; S571-S574 PolarHBondContact O-N 2.84Å; S571-S574 PolarHBondContact O-OG 3.17Å; I572-S574 PolarHBondContact O-N 3.35Å
575	T	35.7	Very low	50.7	Low	136 Å²	136	114.5 Å²	114.5	83%	0.834	59%	0.592	S	S	*	*			trans	95.5	135.1	172.2	-34.2	0	0	0	0	115.8
576	E	41.6	Very low	52.5	Low	167 Å²	167	114.1 Å²	114.1	78%	0.78	60%	0.596	S	S	*	*	S	Bend	trans	-78.6	151.6	-177.7	-57	180	121.3	0	0	113.1
577	Q	41.4	Very low	54.7	Low	183 Å²	183	111.7 Å²	111.7	86%	0.855	58%	0.584	S	S	*	*			trans	48.3	74	155.9	-61.4	-179	28.3	0	0	117.4
578	Q	38.7	Very low	56.9	Low	183 Å²	183	110.7 Å²	110.7	86%	0.855	58%	0.576	S	S	*	*			trans	-93.9	146.1	151.2	-67.2	-165.9	10.7	0	0	110.8
579	T	36	Very low	58.9	Low	125 Å²	125	108.2 Å²	108.2	77%	0.767	56%	0.564	S	S	*	*			trans	-76.3	150.3	-175.2	46.4	0	0	0	0	112.3	A581	T579-A581 PolarHBondContact O-N 3.13Å
580	N	42.9	Very low	60.8	Low	172 Å²	172	103.8 Å²	103.8	92%	0.92	55%	0.552	S	S	*	*	S	Bend	trans	-70.1	38.2	177.5	-61.4	6.2	0	0	0	114.2
581	A	50.6	Low	63	Low	67 Å²	67	98.3 Å²	98.3	55%	0.554	53%	0.525	S	S	*	.	S	Bend	trans	-84.7	135.1	167.5	0	0	0	0	0	108.7	T579 K583	T579-A581 PolarHBondContact O-N 3.13Å; A581-K583 PolarHBondContact O-N 3.36Å
582	P	61.7	Low	65.2	Low	92 Å²	92	95.4 Å²	95.4	60%	0.597	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-61.8	125.6	175.1	26.5	-33.5	0	0	0	109.1	T558	T558-P582 HydrophobicContact CG2-CB 4.03Å; T558-P582 HydrophobicContact CG2-CG 4.07Å
583	K	74.1	Confident	67.4	Low	123 Å²	123	92.2 Å²	92.2	54%	0.535	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-53.9	144.3	173.4	173.7	178.5	163.5	-132.8	0	108.8	D559 A581	D559-K583 HydrophobicContact CB-CB 3.91Å; D559-K583 HydrophobicContact CB-CD 4.37Å; D559-K583 HydrophobicContact CB-CG 4Å; D559-K583 VanDerWaalsContact CB-O 3.26Å; D559-K583 WeakPolarHBondContact CB-O 3.43Å; D559-K583 PolarHBondContact N-O 3.29Å; D559-K583 VanDerWaalsContact OD2-CD 3.28Å; D559-K583 WeakPolarHBondContact OD2-CD 3.47Å; D559-K583 VanDerWaalsContact OD2-CE 3.29Å; D559-K583 WeakPolarHBondContact OD2-CE 3.48Å; D559-K583 IonicContact OD2-NZ 3.48Å; D559-K583 PolarHBondContact OD2-NZ 3.39Å; A581-K583 PolarHBondContact O-N 3.36Å
584	K	81.9	Confident	69.9	Low	121 Å²	121	83.5 Å²	83.5	53%	0.526	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.9	177	-64.6	-169.1	-174.9	-173.7	0	110.8	E556 V557	E556-K584 HydrophobicContact CB-CB 4.38Å; E556-K584 HydrophobicContact CB-CD 3.87Å; E556-K584 HydrophobicContact CG-CD 4.29Å; E556-K584 WeakPolarHBondContact OE2-CD 3.46Å; E556-K584 WeakPolarHBondContact OE2-CE 3.35Å; E556-K584 IonicContact OE2-NZ 2.63Å; E556-K584 PolarHBondContact OE2-NZ 3.37Å; V557-K584 CarbonylContact O-C 3.46Å; V557-K584 VanDerWaalsContact O-CA 3.26Å; V557-K584 WeakPolarHBondContact O-CA 3.48Å
585	I	84.9	Confident	72.5	Confident	19 Å²	19	80.1 Å²	80.1	10%	0.097	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.7	177.1	-65.7	-177.2	0	0	0	108.8	V557 D559	V557-I585 WeakPolarHBondContact CG2-O 3.37Å; V557-I585 PolarHBondContact N-O 2.91Å; V557-I585 PolarHBondContact O-N 3.48Å; D559-I585 HydrophobicContact CB-CD1 4.13Å; D559-I585 HydrophobicContact CB-CG1 4.19Å; D559-I585 VanDerWaalsContact CG-CD1 3.43Å; D559-I585 VanDerWaalsContact OD1-CD1 3.24Å; D559-I585 WeakPolarHBondContact OD1-CD1 3.37Å
586	P	90.2	Very high	75.2	Confident	66 Å²	66	74.2 Å²	74.2	43%	0.429	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.4	172.2	31.2	-35	0	0	0	111.1	V499 Q502 G555	V499-P586 HydrophobicContact CG2-CB 3.77Å; V499-P586 HydrophobicContact CG2-CG 4.07Å; Q502-P586 PolarHBondContact NE2-O 2.83Å; G555-P586 CarbonylContact O-C 3.55Å; G555-P586 WeakPolarHBondContact O-CA 3.21Å
587	L	92.9	Very high	77.7	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.037	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	-179.4	180	61.3	0	0	0	110.5	K544 L546 E554 G555 V557 L591	K544-L587 HydrophobicContact CB-CD2 4.21Å; K544-L587 WeakPolarHBondContact O-CD2 3.29Å; L546-L587 HydrophobicContact CD2-CB 4.27Å; L546-L587 HydrophobicContact CG-CD2 4.24Å; L546-L587 HydrophobicContact CG-CG 4.47Å; E554-L587 WeakPolarHBondContact CA-O 3.23Å; G555-L587 PolarHBondContact N-O 2.93Å; G555-L587 VanDerWaalsContact N-O 3.08Å; G555-L587 PolarHBondContact O-N 2.85Å; V557-L587 HydrophobicContact CG1-CB 4.2Å; V557-L587 HydrophobicContact CG1-CD2 3.67Å; V557-L587 HydrophobicContact CG2-CB 3.96Å; V557-L587 HydrophobicContact CG2-CD2 4.18Å; L587-L591 HydrophobicContact CD1-CD2 4.04Å
588	L	94.7	Very high	80.2	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.058	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.7	173.8	-178.7	67.6	0	0	0	110.7	V499 Q502 K503 F506 D590 L591 S592	V499-L588 HydrophobicContact CG1-CB 4.16Å; V499-L588 HydrophobicContact CG1-CD1 3.91Å; Q502-L588 HydrophobicContact CB-CB 4.1Å; Q502-L588 HydrophobicContact CB-CD2 4.34Å; K503-L588 VanDerWaalsContact CA-CD2 3.5Å; K503-L588 HydrophobicContact CB-CD2 3.85Å; K503-L588 HydrophobicContact CG-CD2 4.3Å; F506-L588 HydrophobicContact CB-CD2 4.44Å; L588-D590 HydrophobicContact CD2-CB 4.04Å; L588-D590 HydrophobicContact CG-CB 4.07Å; L588-D590 PolarHBondContact O-N 3.07Å; L588-L591 HydrophobicContact CB-CB 4.23Å; L588-L591 PolarHBondContact O-N 3.47Å; L588-S592 PolarHBondContact O-N 3.45Å
589	K	92.8	Very high	82.8	Confident	58 Å²	58	51.7 Å²	51.7	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-44.6	179.7	-163.2	-162.9	-175	-56.1	0	112.3	L546 C550 S553 L591 S592 D593	L546-K589 HydrophobicContact CD1-CB 4.12Å; L546-K589 HydrophobicContact CD1-CG 4.19Å; C550-K589 WeakPolarHBondContact O-CE 3.4Å; S553-K589 WeakPolarHBondContact O-CB 3.42Å; S553-K589 PolarHBondContact O-N 3.32Å; K589-L591 PolarHBondContact O-N 2.77Å; K589-S592 CarbonylContact O-C 3.52Å; K589-S592 WeakPolarHBondContact O-CB 3.33Å; K589-S592 PolarHBondContact O-N 3.32Å; K589-S592 VanDerWaalsContact O-N 3.14Å; K589-D593 IonicContact NZ-OD1 2.68Å; K589-D593 PolarHBondContact NZ-OD1 3.39Å; K589-D593 IonicContact NZ-OD2 3.12Å; K589-D593 PolarHBondContact NZ-OD2 3.25Å; K589-D593 WeakPolarHBondContact O-CB 3.46Å; K589-D593 VanDerWaalsContact O-CG 3.28Å; K589-D593 PolarHBondContact O-N 3.16Å
590	D	93.1	Very high	85.5	Confident	61 Å²	61	46.2 Å²	46.2	33%	0.326	25%	0.249	S	C	.	.	H	α-helix	trans	-54.7	-36.6	178.8	-60	-20.7	0	0	0	112.6	F506 L588	F506-D590 HydrophobicContact CD1-CB 3.97Å; F506-D590 HydrophobicContact CD2-CB 3.8Å; F506-D590 VanDerWaalsContact CD2-O 3.25Å; F506-D590 WeakPolarHBondContact CD2-O 3.48Å; F506-D590 HydrophobicContact CE1-CB 3.94Å; F506-D590 HydrophobicContact CE2-CB 3.77Å; F506-D590 WeakPolarHBondContact CE2-O 3.5Å; F506-D590 HydrophobicContact CG-CB 3.91Å; F506-D590 HydrophobicContact CZ-CB 3.84Å; L588-D590 HydrophobicContact CD2-CB 4.04Å; L588-D590 HydrophobicContact CG-CB 4.07Å; L588-D590 PolarHBondContact O-N 3.07Å
591	L	93.2	Very high	87.8	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-77.5	-45.5	177.7	-174.2	67.7	0	0	0	111.4	Q502 M505 L509 L587 L588 K589 D593 L594	Q502-L591 HydrophobicContact CB-CD2 4.17Å; Q502-L591 HydrophobicContact CG-CD2 4.21Å; M505-L591 HydrophobicContact CE-CD2 3.78Å; M505-L591 HydrophobicContact CG-CD1 4.24Å; L509-L591 HydrophobicContact CD1-CD1 4.05Å; L587-L591 HydrophobicContact CD1-CD2 4.04Å; L588-L591 HydrophobicContact CB-CB 4.23Å; L588-L591 PolarHBondContact O-N 3.47Å; K589-L591 PolarHBondContact O-N 2.77Å; L591-D593 PolarHBondContact O-N 3.34Å; L591-L594 WeakPolarHBondContact O-CB 3.27Å; L591-L594 PolarHBondContact O-N 3.26Å; L591-L594 VanDerWaalsContact O-N 3.15Å
592	S	93.9	Very high	89.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-54.9	-37.8	172.8	162.9	0	0	0	0	112.3	K545 L546 L588 K589 L594 V595	K545-S592 WeakPolarHBondContact CG-OG 3.29Å; K545-S592 PolarHBondContact NZ-O 3.17Å; L546-S592 PolarHBondContact N-OG 3.45Å; L588-S592 PolarHBondContact O-N 3.45Å; K589-S592 CarbonylContact O-C 3.52Å; K589-S592 WeakPolarHBondContact O-CB 3.33Å; K589-S592 PolarHBondContact O-N 3.32Å; K589-S592 VanDerWaalsContact O-N 3.14Å; S592-L594 VanDerWaalsContact C-N 3.25Å; S592-L594 PolarHBondContact O-N 2.97Å; S592-V595 PolarHBondContact O-N 3.42Å
593	D	93.1	Very high	91	Very high	69 Å²	69	38.3 Å²	38.3	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-67.3	-23.5	-178.7	-73.6	-7.3	0	0	0	112.9	K589 L591 V595	K589-D593 IonicContact NZ-OD1 2.68Å; K589-D593 PolarHBondContact NZ-OD1 3.39Å; K589-D593 IonicContact NZ-OD2 3.12Å; K589-D593 PolarHBondContact NZ-OD2 3.25Å; K589-D593 WeakPolarHBondContact O-CB 3.46Å; K589-D593 VanDerWaalsContact O-CG 3.28Å; K589-D593 PolarHBondContact O-N 3.16Å; L591-D593 PolarHBondContact O-N 3.34Å; D593-V595 VanDerWaalsContact C-N 3.34Å
594	L	94.5	Very high	91.7	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.9	174.7	-60.1	-178.1	0	0	0	114.4	F506 L509 K510 I517 V519 L541 L591 S592 T596	F506-L594 HydrophobicContact CD2-CD1 3.74Å; F506-L594 HydrophobicContact CD2-CG 4.19Å; F506-L594 HydrophobicContact CE2-CD1 4Å; F506-L594 HydrophobicContact CE2-CD2 4.19Å; F506-L594 HydrophobicContact CE2-CG 4.07Å; L509-L594 HydrophobicContact CD1-CD1 4.38Å; K510-L594 HydrophobicContact CD-CD2 4.26Å; I517-L594 HydrophobicContact CD1-CD1 4.45Å; I517-L594 HydrophobicContact CG2-CD2 4.35Å; V519-L594 HydrophobicContact CG1-CD2 3.97Å; L541-L594 HydrophobicContact CD1-CB 3.61Å; L541-L594 HydrophobicContact CD1-CD1 3.88Å; L541-L594 HydrophobicContact CD1-CG 4.41Å; L591-L594 WeakPolarHBondContact O-CB 3.27Å; L591-L594 PolarHBondContact O-N 3.26Å; L591-L594 VanDerWaalsContact O-N 3.15Å; S592-L594 VanDerWaalsContact C-N 3.25Å; S592-L594 PolarHBondContact O-N 2.97Å; L594-T596 PolarHBondContact O-N 3.25Å
595	V	94.3	Very high	92.1	Very high	6 Å²	6	36 Å²	36	4%	0.036	18%	0.182	C	C	.	.			trans	-86.9	106.3	177.7	177.7	0	0	0	0	108.9	L541 K545 S592 D593 K599	L541-V595 HydrophobicContact CB-CG2 4.31Å; K545-V595 HydrophobicContact CB-CG1 4.47Å; K545-V595 WeakPolarHBondContact CD-O 3.33Å; K545-V595 WeakPolarHBondContact CE-O 3.18Å; K545-V595 PolarHBondContact NZ-O 2.85Å; S592-V595 PolarHBondContact O-N 3.42Å; D593-V595 VanDerWaalsContact C-N 3.34Å; V595-K599 HydrophobicContact CG1-CB 4.29Å
596	T	92.8	Very high	92.3	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.067	18%	0.179	C	C	.	.			trans	-113.9	-69.9	179.5	65.1	0	0	0	0	112.9	H518 D520 L594	H518-T596 PolarHBondContact CD2-OG1 3.15Å; H518-T596 VanDerWaalsContact CD2-OG1 3.25Å; D520-T596 VanDerWaalsContact O-CB 3.24Å; D520-T596 WeakPolarHBondContact O-CB 3.24Å; D520-T596 WeakPolarHBondContact O-CG2 3.36Å; D520-T596 PolarHBondContact O-OG1 3.37Å; L594-T596 PolarHBondContact O-N 3.25Å
597	L	93.1	Very high	92.3	Very high	6 Å²	6	36 Å²	36	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.2	-173.4	-62.4	-176.2	0	0	0	115.3	H518 P522 L529 P530 L535 L540 W616	H518-L597 VanDerWaalsContact NE2-CD1 3.31Å; H518-L597 WeakPolarHBondContact NE2-CD1 3.4Å; H518-L597 WeakPolarHBondContact NE2-CG 3.22Å; P522-L597 HydrophobicContact CB-CD2 4.1Å; L529-L597 HydrophobicContact CD2-CB 3.96Å; L529-L597 HydrophobicContact CD2-CD2 3.93Å; L529-L597 HydrophobicContact CD2-CG 4.37Å; P530-L597 HydrophobicContact CG-CD1 4.05Å; P530-L597 HydrophobicContact CG-CD2 4.46Å; L535-L597 HydrophobicContact CD1-CD1 3.9Å; L535-L597 HydrophobicContact CD2-CD1 4.04Å; L540-L597 HydrophobicContact CD2-CD1 4.25Å; L597-W616 CarbonylContact C-O 3.59Å; L597-W616 WeakPolarHBondContact O-CA 3.4Å
598	C	94.4	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	48.6	-174.7	-57.7	0	0	0	0	111.7	K542 G543 S600	K542-C598 WeakPolarHBondContact CA-O 3.48Å; K542-C598 HydrophobicContact CB-CB 3.98Å; G543-C598 PolarHBondContact N-O 3.35Å; C598-S600 PolarHBondContact O-N 2.87Å
599	K	93.7	Very high	92	Very high	54 Å²	54	37.4 Å²	37.4	24%	0.235	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	118.6	176.3	176.4	-174	162.8	-155.2	0	109.7	K545 V595 V601 W616 E617 L618	K545-K599 HydrophobicContact CB-CD 4.23Å; K545-K599 HydrophobicContact CB-CG 4Å; V595-K599 HydrophobicContact CG1-CB 4.29Å; K599-V601 HydrophobicContact CD-CG1 4.33Å; K599-V601 HydrophobicContact CG-CG1 4.26Å; K599-W616 PolarHBondContact N-O 3.32Å; K599-E617 HydrophobicContact CB-CG 4.39Å; K599-E617 HydrophobicContact CD-CG 4.05Å; K599-E617 HydrophobicContact CG-CG 4.48Å; K599-E617 IonicContact NZ-OE1 3.21Å; K599-E617 PolarHBondContact NZ-OE1 3.36Å; K599-E617 CarbonylContact O-C 3.51Å; K599-E617 WeakPolarHBondContact O-CA 3.21Å; K599-L618 PolarHBondContact O-N 2.98Å
600	S	92.1	Very high	91.7	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.1	175	-150.1	0	0	0	0	110.6	G543 C598 L618	G543-S600 WeakPolarHBondContact O-CB 3.19Å; G543-S600 PolarHBondContact O-N 2.79Å; C598-S600 PolarHBondContact O-N 2.87Å; S600-L618 WeakPolarHBondContact CA-O 3.42Å
601	V	91.5	Very high	91.4	Very high	30 Å²	30	43.3 Å²	43.3	18%	0.182	22%	0.217	C	C	.	.			trans	-145	145.7	173.1	-59.8	0	0	0	0	112.6	K599 F603 E617 L618 C619	K599-V601 HydrophobicContact CD-CG1 4.33Å; K599-V601 HydrophobicContact CG-CG1 4.26Å; V601-F603 PolarHBondContact O-N 3.13Å; V601-E617 HydrophobicContact CG1-CB 4.27Å; V601-E617 HydrophobicContact CG1-CG 4.15Å; V601-E617 HydrophobicContact CG2-CB 3.95Å; V601-L618 PolarHBondContact N-O 3.32Å; V601-C619 PolarHBondContact O-SG 2.79Å
602	E	88.4	Confident	91.3	Very high	106 Å²	106	49.6 Å²	49.6	50%	0.495	24%	0.244	S	C	.	.			trans	-53.7	123.3	169.3	-177.5	-171.7	-143	0	0	112.6	E560 K604	E560-E602 HydrophobicContact CG-CB 4.34Å; E560-E602 PolarHBondContact OE2-N 3.08Å; E602-K604 HydrophobicContact CG-CG 4.43Å; E602-K604 WeakPolarHBondContact OE2-CE 3.45Å; E602-K604 IonicContact OE2-NZ 2.67Å; E602-K604 PolarHBondContact OE2-NZ 2.62Å
603	F	91.1	Very high	91.2	Very high	29 Å²	29	50.4 Å²	50.4	13%	0.127	25%	0.248	C	C	.	.			trans	-74.7	130.9	167.2	179.5	-91.6	0	0	0	110.8	V601 F606 C619 F621 F625 Y640	V601-F603 PolarHBondContact O-N 3.13Å; F603-F606 AromaticContact CE2-CD1 3.69Å; F603-F606 HydrophobicContact CE2-CD1 3.69Å; F603-F606 AromaticContact CE2-CE1 3.74Å; F603-F606 HydrophobicContact CE2-CE1 3.74Å; F603-F606 HydrophobicContact CE2-CG 4.32Å; F603-F606 HydrophobicContact CE2-CZ 4.4Å; F603-F606 AromaticContact CZ-CD1 3.64Å; F603-F606 HydrophobicContact CZ-CD1 3.64Å; F603-F606 HydrophobicContact CZ-CD2 4.12Å; F603-F606 AromaticContact CZ-CE1 3.65Å; F603-F606 HydrophobicContact CZ-CE1 3.65Å; F603-F606 HydrophobicContact CZ-CE2 4.12Å; F603-F606 AromaticContact CZ-CG 3.88Å; F603-F606 HydrophobicContact CZ-CG 3.88Å; F603-F606 AromaticContact CZ-CZ 3.9Å; F603-F606 HydrophobicContact CZ-CZ 3.9Å; F603-C619 HydrophobicContact CB-CB 4.01Å; F603-F621 HydrophobicContact CB-CE1 4.01Å; F603-F621 HydrophobicContact CB-CZ 4.12Å; F603-F621 AromaticContact CD1-CE1 3.91Å; F603-F621 HydrophobicContact CD1-CE1 3.91Å; F603-F621 AromaticContact CD2-CE1 3.75Å; F603-F621 HydrophobicContact CD2-CE1 3.75Å; F603-F621 AromaticContact CD2-CZ 3.59Å; F603-F621 HydrophobicContact CD2-CZ 3.59Å; F603-F621 HydrophobicContact CE1-CE1 4.3Å; F603-F621 HydrophobicContact CE2-CE1 4.16Å; F603-F621 HydrophobicContact CE2-CZ 4.11Å; F603-F621 AromaticContact CG-CE1 3.6Å; F603-F621 HydrophobicContact CG-CE1 3.6Å; F603-F621 AromaticContact CG-CZ 3.84Å; F603-F621 HydrophobicContact CG-CZ 3.84Å; F603-F621 HydrophobicContact CZ-CE1 4.41Å; F603-F625 AromaticContact CD1-CE1 3.72Å; F603-F625 HydrophobicContact CD1-CE1 3.72Å; F603-F625 AromaticContact CD1-CZ 3.92Å; F603-F625 HydrophobicContact CD1-CZ 3.92Å; F603-F625 HydrophobicContact CE1-CE1 4.17Å; F603-F625 HydrophobicContact CE1-CZ 4.04Å; F603-Y640 HydrophobicContact CD2-CE2 4.14Å; F603-Y640 HydrophobicContact CE2-CD2 4.3Å; F603-Y640 AromaticContact CE2-CE2 3.99Å; F603-Y640 HydrophobicContact CE2-CE2 3.99Å
604	K	88.4	Confident	91.2	Very high	133 Å²	133	51 Å²	51	58%	0.578	25%	0.247	S	C	*	.			trans	-109.9	-62.5	-177.6	-54.5	-172.9	-172.4	-113.4	0	111.5	E602	E602-K604 HydrophobicContact CG-CG 4.43Å; E602-K604 WeakPolarHBondContact OE2-CE 3.45Å; E602-K604 IonicContact OE2-NZ 2.67Å; E602-K604 PolarHBondContact OE2-NZ 2.62Å
605	D	90.2	Very high	91.1	Very high	62 Å²	62	51 Å²	51	33%	0.332	25%	0.248	S	C	.	.			trans	-162.9	154.4	174.4	64.7	89.8	0	0	0	109.7	P607 T608 S609	D605-P607 WeakPolarHBondContact OD1-CB 3.39Å; D605-P607 WeakPolarHBondContact OD1-CD 3.41Å; D605-T608 VanDerWaalsContact CG-OG1 3.24Å; D605-T608 PolarHBondContact O-N 3.49Å; D605-T608 WeakPolarHBondContact OD1-CB 3.49Å; D605-T608 PolarHBondContact OD1-N 2.93Å; D605-T608 PolarHBondContact OD1-OG1 2.61Å; D605-T608 VanDerWaalsContact OD1-OG1 3.13Å; D605-T608 WeakPolarHBondContact OD2-CB 3.47Å; D605-T608 PolarHBondContact OD2-OG1 3.4Å; D605-S609 PolarHBondContact O-N 3.18Å
606	F	90.8	Very high	91	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.039	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-48.3	-178.1	-63.3	-67.4	0	0	0	113.1	F603 T608 S609 F610 C629 F633 D636 F637 Y640	F603-F606 AromaticContact CE2-CD1 3.69Å; F603-F606 HydrophobicContact CE2-CD1 3.69Å; F603-F606 AromaticContact CE2-CE1 3.74Å; F603-F606 HydrophobicContact CE2-CE1 3.74Å; F603-F606 HydrophobicContact CE2-CG 4.32Å; F603-F606 HydrophobicContact CE2-CZ 4.4Å; F603-F606 AromaticContact CZ-CD1 3.64Å; F603-F606 HydrophobicContact CZ-CD1 3.64Å; F603-F606 HydrophobicContact CZ-CD2 4.12Å; F603-F606 AromaticContact CZ-CE1 3.65Å; F603-F606 HydrophobicContact CZ-CE1 3.65Å; F603-F606 HydrophobicContact CZ-CE2 4.12Å; F603-F606 AromaticContact CZ-CG 3.88Å; F603-F606 HydrophobicContact CZ-CG 3.88Å; F603-F606 AromaticContact CZ-CZ 3.9Å; F603-F606 HydrophobicContact CZ-CZ 3.9Å; F606-T608 PolarHBondContact O-N 3.27Å; F606-S609 PolarHBondContact O-N 2.9Å; F606-F610 HydrophobicContact CB-CD2 4.29Å; F606-F610 HydrophobicContact CB-CE2 3.87Å; F606-F610 WeakPolarHBondContact O-CD2 3.24Å; F606-F610 WeakPolarHBondContact O-CG 3.32Å; F606-F610 PolarHBondContact O-N 2.83Å; F606-C629 HydrophobicContact CE2-CB 4.42Å; F606-C629 HydrophobicContact CZ-CB 4.13Å; F606-F633 HydrophobicContact CD2-CB 4.2Å; F606-F633 HydrophobicContact CE2-CB 3.76Å; F606-F633 HydrophobicContact CE2-CG 4.3Å; F606-D636 HydrophobicContact CB-CB 4.1Å; F606-D636 HydrophobicContact CD1-CB 4.44Å; F606-D636 HydrophobicContact CD2-CB 3.7Å; F606-D636 HydrophobicContact CE2-CB 4.21Å; F606-D636 HydrophobicContact CG-CB 3.84Å; F606-F637 HydrophobicContact CE1-CB 4.21Å; F606-F637 AromaticContact CE1-CD2 3.84Å; F606-F637 HydrophobicContact CE1-CD2 3.84Å; F606-F637 HydrophobicContact CE1-CG 4.21Å; F606-F637 HydrophobicContact CZ-CB 3.82Å; F606-F637 AromaticContact CZ-CD2 3.93Å; F606-F637 HydrophobicContact CZ-CD2 3.93Å; F606-F637 AromaticContact CZ-CG 3.86Å; F606-F637 HydrophobicContact CZ-CG 3.86Å; F606-Y640 AromaticContact CD1-CD2 3.88Å; F606-Y640 HydrophobicContact CD1-CD2 3.88Å; F606-Y640 HydrophobicContact CD1-CG 4Å; F606-Y640 HydrophobicContact CE1-CD2 4.23Å; F606-Y640 HydrophobicContact CE1-CG 4.01Å
607	P	88.6	Confident	91	Very high	78 Å²	78	53 Å²	53	51%	0.506	25%	0.254	S	S	.	.	H	α-helix	trans	-53.6	-44.9	174.5	-27.4	33.5	0	0	0	115	D605 Q611	D605-P607 WeakPolarHBondContact OD1-CB 3.39Å; D605-P607 WeakPolarHBondContact OD1-CD 3.41Å; P607-Q611 WeakPolarHBondContact O-CG 3.49Å; P607-Q611 PolarHBondContact O-N 3.05Å
608	T	89.7	Confident	91.1	Very high	39 Å²	39	52.8 Å²	52.8	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-43.7	177.4	-67.8	0	0	0	0	111.3	D605 F606 Q611 K612	D605-T608 VanDerWaalsContact CG-OG1 3.24Å; D605-T608 PolarHBondContact O-N 3.49Å; D605-T608 WeakPolarHBondContact OD1-CB 3.49Å; D605-T608 PolarHBondContact OD1-N 2.93Å; D605-T608 PolarHBondContact OD1-OG1 2.61Å; D605-T608 VanDerWaalsContact OD1-OG1 3.13Å; D605-T608 WeakPolarHBondContact OD2-CB 3.47Å; D605-T608 PolarHBondContact OD2-OG1 3.4Å; F606-T608 PolarHBondContact O-N 3.27Å; T608-Q611 PolarHBondContact O-N 3.29Å; T608-K612 HydrophobicContact CG2-CD 4.16Å; T608-K612 WeakPolarHBondContact O-CB 3.46Å; T608-K612 PolarHBondContact O-N 3.07Å
609	S	91.5	Very high	91.1	Very high	8 Å²	8	52.8 Å²	52.8	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-49.5	175.7	-80.5	0	0	0	0	111.9	D605 F606 Q611 K612 Q613	D605-S609 PolarHBondContact O-N 3.18Å; F606-S609 PolarHBondContact O-N 2.9Å; S609-Q611 PolarHBondContact O-N 3.04Å; S609-Q611 VanDerWaalsContact O-N 3.13Å; S609-K612 PolarHBondContact O-N 3.3Å; S609-Q613 VanDerWaalsContact CB-OE1 3.27Å; S609-Q613 VanDerWaalsContact O-CB 3.24Å; S609-Q613 WeakPolarHBondContact O-CB 3.4Å; S609-Q613 PolarHBondContact O-N 3.42Å; S609-Q613 PolarHBondContact OG-OE1 2.82Å
610	F	88.3	Confident	91.1	Very high	87 Å²	87	51.6 Å²	51.6	38%	0.382	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-29.8	178.2	-70.7	-54	0	0	0	113.6	F606 N639 F644	F606-F610 HydrophobicContact CB-CD2 4.29Å; F606-F610 HydrophobicContact CB-CE2 3.87Å; F606-F610 WeakPolarHBondContact O-CD2 3.24Å; F606-F610 WeakPolarHBondContact O-CG 3.32Å; F606-F610 PolarHBondContact O-N 2.83Å; F610-N639 HydrophobicContact CE1-CB 4.31Å; F610-N639 HydrophobicContact CZ-CB 3.88Å; F610-F644 HydrophobicContact CD1-CE2 4.31Å
611	Q	86.5	Confident	91.1	Very high	155 Å²	155	51.2 Å²	51.2	72%	0.724	25%	0.249	S	C	*	.	H	α-helix	trans	-87.5	-30.4	179.9	-70.4	176.5	12.6	0	0	114.5	P607 T608 S609	P607-Q611 WeakPolarHBondContact O-CG 3.49Å; P607-Q611 PolarHBondContact O-N 3.05Å; T608-Q611 PolarHBondContact O-N 3.29Å; S609-Q611 PolarHBondContact O-N 3.04Å; S609-Q611 VanDerWaalsContact O-N 3.13Å
612	K	90.1	Very high	91.1	Very high	143 Å²	143	50.6 Å²	50.6	62%	0.622	24%	0.244	S	C	*	.	H	α-helix	trans	-125.4	-31.2	-164.6	-61.2	-178.9	-171.8	166.9	0	115.1	T608 S609	T608-K612 HydrophobicContact CG2-CD 4.16Å; T608-K612 WeakPolarHBondContact O-CB 3.46Å; T608-K612 PolarHBondContact O-N 3.07Å; S609-K612 PolarHBondContact O-N 3.3Å
613	Q	92.1	Very high	91.4	Very high	18 Å²	18	46.6 Å²	46.6	8%	0.084	23%	0.225	C	C	.	.			trans	-69.9	143.3	-175.5	-170.3	176.3	-22.6	0	0	110.7	S609 E617 Y640 F644	S609-Q613 VanDerWaalsContact CB-OE1 3.27Å; S609-Q613 VanDerWaalsContact O-CB 3.24Å; S609-Q613 WeakPolarHBondContact O-CB 3.4Å; S609-Q613 PolarHBondContact O-N 3.42Å; S609-Q613 PolarHBondContact OG-OE1 2.82Å; Q613-E617 WeakPolarHBondContact CA-OE2 3.32Å; Q613-E617 HydrophobicContact CG-CB 3.75Å; Q613-E617 PolarHBondContact NE2-O 2.81Å; Q613-Y640 PolarHBondContact NE2-OH 3.26Å; Q613-Y640 PolarHBondContact OE1-OH 2.95Å; Q613-F644 HydrophobicContact CB-CD1 4.29Å; Q613-F644 HydrophobicContact CB-CE1 3.76Å; Q613-F644 HydrophobicContact CB-CE2 4.46Å; Q613-F644 HydrophobicContact CB-CZ 3.84Å; Q613-F644 HydrophobicContact CG-CD1 3.81Å; Q613-F644 HydrophobicContact CG-CE1 3.76Å; Q613-F644 HydrophobicContact CG-CG 4.38Å; Q613-F644 HydrophobicContact CG-CZ 4.28Å; Q613-F644 VanDerWaalsContact O-CE1 3.29Å; Q613-F644 WeakPolarHBondContact O-CE1 3.41Å
614	K	92.5	Very high	91.4	Very high	83 Å²	83	49.1 Å²	49.1	36%	0.361	24%	0.243	S	C	.	.			trans	-96.5	154.9	176.8	-58.3	-61.4	-174.5	174.5	0	111.4	W616 E617 F644	K614-W616 HydrophobicContact CB-CD2 3.7Å; K614-W616 VanDerWaalsContact CB-CE2 3.4Å; K614-W616 HydrophobicContact CB-CE3 4.06Å; K614-W616 HydrophobicContact CB-CG 4.31Å; K614-W616 HydrophobicContact CB-CH2 3.94Å; K614-W616 HydrophobicContact CB-CZ2 3.55Å; K614-W616 HydrophobicContact CB-CZ3 4.17Å; K614-W616 HydrophobicContact CD-CH2 4.02Å; K614-W616 HydrophobicContact CD-CZ2 4.03Å; K614-W616 HydrophobicContact CG-CH2 4.04Å; K614-W616 HydrophobicContact CG-CZ2 3.56Å; K614-W616 PolarHBondContact O-N 2.86Å; K614-W616 VanDerWaalsContact O-N 3.16Å; K614-E617 HydrophobicContact CB-CG 4.14Å; K614-E617 PolarHBondContact N-OE2 3.29Å; K614-E617 WeakPolarHBondContact O-CB 3.4Å; K614-E617 PolarHBondContact O-N 2.91Å; K614-F644 WeakPolarHBondContact O-CD1 3.44Å
615	P	92.1	Very high	91.6	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.032	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.3	-177.8	-26.1	35.4	0	0	0	114.4	D526 C527 L529 E617	D526-P615 WeakPolarHBondContact O-CG 3.48Å; C527-P615 VanDerWaalsContact C-CG 3.5Å; C527-P615 WeakPolarHBondContact O-CG 3.22Å; L529-P615 WeakPolarHBondContact CD1-O 3.32Å; L529-P615 HydrophobicContact CG-CB 4.43Å; L529-P615 WeakPolarHBondContact CG-O 3.31Å; P615-E617 VanDerWaalsContact C-N 3.28Å; P615-E617 PolarHBondContact O-N 2.8Å
616	W	93.1	Very high	91.8	Very high	33 Å²	33	43.7 Å²	43.7	13%	0.125	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5.7	176.7	59.5	85.9	0	0	0	114.7	P522 K523 L524 L529 L597 K599 K614	P522-W616 HydrophobicContact CB-CB 4.43Å; P522-W616 HydrophobicContact CB-CD2 3.78Å; P522-W616 HydrophobicContact CB-CE3 3.52Å; P522-W616 HydrophobicContact CB-CG 4.19Å; P522-W616 HydrophobicContact CB-CZ3 4Å; P522-W616 HydrophobicContact CG-CB 4.08Å; P522-W616 HydrophobicContact CG-CD2 3.44Å; P522-W616 VanDerWaalsContact CG-CD2 3.44Å; P522-W616 HydrophobicContact CG-CE3 3.76Å; P522-W616 HydrophobicContact CG-CG 3.59Å; P522-W616 HydrophobicContact CG-CZ2 4.4Å; P522-W616 HydrophobicContact CG-CZ3 4.35Å; K523-W616 WeakPolarHBondContact O-CZ3 3.46Å; L524-W616 HydrophobicContact CD2-CH2 4.37Å; L529-W616 HydrophobicContact CD2-CB 4.14Å; L597-W616 CarbonylContact C-O 3.59Å; L597-W616 WeakPolarHBondContact O-CA 3.4Å; K599-W616 PolarHBondContact N-O 3.32Å; K614-W616 HydrophobicContact CB-CD2 3.7Å; K614-W616 VanDerWaalsContact CB-CE2 3.4Å; K614-W616 HydrophobicContact CB-CE3 4.06Å; K614-W616 HydrophobicContact CB-CG 4.31Å; K614-W616 HydrophobicContact CB-CH2 3.94Å; K614-W616 HydrophobicContact CB-CZ2 3.55Å; K614-W616 HydrophobicContact CB-CZ3 4.17Å; K614-W616 HydrophobicContact CD-CH2 4.02Å; K614-W616 HydrophobicContact CD-CZ2 4.03Å; K614-W616 HydrophobicContact CG-CH2 4.04Å; K614-W616 HydrophobicContact CG-CZ2 3.56Å; K614-W616 PolarHBondContact O-N 2.86Å; K614-W616 VanDerWaalsContact O-N 3.16Å
617	E	93.7	Very high	92	Very high	26 Å²	26	46.3 Å²	46.3	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.6	173.3	-67.9	177.7	143.8	0	0	109.6	K599 V601 Q613 K614 P615	K599-E617 HydrophobicContact CB-CG 4.39Å; K599-E617 HydrophobicContact CD-CG 4.05Å; K599-E617 HydrophobicContact CG-CG 4.48Å; K599-E617 IonicContact NZ-OE1 3.21Å; K599-E617 PolarHBondContact NZ-OE1 3.36Å; K599-E617 CarbonylContact O-C 3.51Å; K599-E617 WeakPolarHBondContact O-CA 3.21Å; V601-E617 HydrophobicContact CG1-CB 4.27Å; V601-E617 HydrophobicContact CG1-CG 4.15Å; V601-E617 HydrophobicContact CG2-CB 3.95Å; Q613-E617 WeakPolarHBondContact CA-OE2 3.32Å; Q613-E617 HydrophobicContact CG-CB 3.75Å; Q613-E617 PolarHBondContact NE2-O 2.81Å; K614-E617 HydrophobicContact CB-CG 4.14Å; K614-E617 PolarHBondContact N-OE2 3.29Å; K614-E617 WeakPolarHBondContact O-CB 3.4Å; K614-E617 PolarHBondContact O-N 2.91Å; P615-E617 VanDerWaalsContact C-N 3.28Å; P615-E617 PolarHBondContact O-N 2.8Å
618	L	93.6	Very high	92.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.7	-173.9	176.1	156.8	0	0	0	109.2	K542 K599 S600 V601 L645 R647 I672	K542-L618 HydrophobicContact CG-CD2 4.19Å; K599-L618 PolarHBondContact O-N 2.98Å; S600-L618 WeakPolarHBondContact CA-O 3.42Å; V601-L618 PolarHBondContact N-O 3.32Å; L618-L645 HydrophobicContact CB-CB 4.27Å; L618-L645 HydrophobicContact CD1-CB 3.83Å; L618-L645 HydrophobicContact CD1-CD1 4.1Å; L618-L645 HydrophobicContact CG-CB 3.99Å; L618-R647 HydrophobicContact CD2-CB 4.29Å; L618-I672 HydrophobicContact CD1-CD1 3.92Å
619	C	94.5	Very high	92.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.7	172.4	-65.7	0	0	0	0	110.7	V601 F603 F621 Y640 L645 A646 R647	V601-C619 PolarHBondContact O-SG 2.79Å; F603-C619 HydrophobicContact CB-CB 4.01Å; C619-F621 HydrophobicContact CB-CD2 4.3Å; C619-F621 HydrophobicContact CB-CE2 3.51Å; C619-F621 HydrophobicContact CB-CZ 3.83Å; C619-F621 WeakPolarHBondContact O-CD2 3.28Å; C619-F621 WeakPolarHBondContact O-CE2 3.46Å; C619-Y640 WeakPolarHBondContact CB-OH 3.46Å; C619-Y640 PolarHBondContact SG-OH 2.7Å; C619-L645 PolarHBondContact N-O 3.46Å; C619-A646 WeakPolarHBondContact O-CA 3.25Å; C619-R647 PolarHBondContact O-N 2.73Å
620	S	93.6	Very high	92.4	Very high	29 Å²	29	47.4 Å²	47.4	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142	168.1	-68	0	0	0	0	110.5	E562 R647	E562-S620 WeakPolarHBondContact OE1-CB 3.44Å; E562-S620 PolarHBondContact OE1-OG 3.37Å; S620-R647 CarbonylContact C-O 3.54Å; S620-R647 WeakPolarHBondContact CA-O 3.38Å
621	F	93.6	Very high	92.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.1	-177.2	-57.5	-106.5	0	0	0	110	F603 C619 F625 A626 F637 Y640 A646 R647 V648 Y649	F603-F621 HydrophobicContact CB-CE1 4.01Å; F603-F621 HydrophobicContact CB-CZ 4.12Å; F603-F621 AromaticContact CD1-CE1 3.91Å; F603-F621 HydrophobicContact CD1-CE1 3.91Å; F603-F621 AromaticContact CD2-CE1 3.75Å; F603-F621 HydrophobicContact CD2-CE1 3.75Å; F603-F621 AromaticContact CD2-CZ 3.59Å; F603-F621 HydrophobicContact CD2-CZ 3.59Å; F603-F621 HydrophobicContact CE1-CE1 4.3Å; F603-F621 HydrophobicContact CE2-CE1 4.16Å; F603-F621 HydrophobicContact CE2-CZ 4.11Å; F603-F621 AromaticContact CG-CE1 3.6Å; F603-F621 HydrophobicContact CG-CE1 3.6Å; F603-F621 AromaticContact CG-CZ 3.84Å; F603-F621 HydrophobicContact CG-CZ 3.84Å; F603-F621 HydrophobicContact CZ-CE1 4.41Å; C619-F621 HydrophobicContact CB-CD2 4.3Å; C619-F621 HydrophobicContact CB-CE2 3.51Å; C619-F621 HydrophobicContact CB-CZ 3.83Å; C619-F621 WeakPolarHBondContact O-CD2 3.28Å; C619-F621 WeakPolarHBondContact O-CE2 3.46Å; F621-F625 AromaticContact CD1-CD1 3.77Å; F621-F625 HydrophobicContact CD1-CD1 3.77Å; F621-F625 AromaticContact CD1-CE1 3.84Å; F621-F625 HydrophobicContact CD1-CE1 3.84Å; F621-F625 HydrophobicContact CE1-CE1 4.14Å; F621-A626 HydrophobicContact CB-CB 3.9Å; F621-F637 HydrophobicContact CD1-CZ 4.49Å; F621-F637 HydrophobicContact CE1-CE2 4.47Å; F621-F637 HydrophobicContact CE1-CZ 4.44Å; F621-F637 HydrophobicContact CE2-CE2 4.42Å; F621-F637 HydrophobicContact CZ-CE2 4.21Å; F621-Y640 HydrophobicContact CE2-CE1 4.49Å; F621-Y640 HydrophobicContact CZ-CE1 4.36Å; F621-A646 HydrophobicContact CD2-CB 4.1Å; F621-A646 HydrophobicContact CE2-CB 3.71Å; F621-R647 WeakPolarHBondContact CD2-O 3.41Å; F621-R647 PolarHBondContact N-O 2.77Å; F621-V648 WeakPolarHBondContact O-CA 3.42Å; F621-Y649 WeakPolarHBondContact O-CD1 3.4Å; F621-Y649 PolarHBondContact O-N 2.85Å
622	N	91.3	Very high	92.6	Very high	16 Å²	16	44.6 Å²	44.6	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	138.4	166.3	174.5	-46	0	0	0	109.1	E565 V624 F625 A626 Y649	E565-N622 PolarHBondContact OE2-ND2 2.84Å; N622-V624 PolarHBondContact O-N 3.05Å; N622-V624 PolarHBondContact OD1-N 2.8Å; N622-F625 PolarHBondContact O-N 2.88Å; N622-A626 PolarHBondContact O-N 2.82Å; N622-Y649 HydrophobicContact CB-CE1 4.35Å; N622-Y649 HydrophobicContact CB-CE2 4.06Å; N622-Y649 VanDerWaalsContact N-CE1 3.29Å
623	E	93.2	Very high	92.6	Very high	22 Å²	22	42.8 Å²	42.8	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-47.2	-35.9	-177	80.9	-178.9	123.5	0	0	113.6	F625 A626 T627 Y649 S651 R654 M660 F665	E623-F625 PolarHBondContact O-N 3.46Å; E623-A626 PolarHBondContact O-N 3.21Å; E623-T627 WeakPolarHBondContact O-CB 3.34Å; E623-T627 PolarHBondContact O-N 3.39Å; E623-T627 PolarHBondContact O-OG1 3.46Å; E623-Y649 PolarHBondContact N-O 3.1Å; E623-S651 WeakPolarHBondContact OE1-CB 3.32Å; E623-S651 PolarHBondContact OE1-N 2.77Å; E623-R654 WeakPolarHBondContact OE1-CD 3.3Å; E623-R654 IonicContact OE1-CZ 2.73Å; E623-R654 IonicContact OE1-NE 3.84Å; E623-R654 PolarHBondContact OE1-NE 3.42Å; E623-R654 IonicContact OE1-NH2 3.5Å; E623-R654 IonicContact OE2-CZ 3.78Å; E623-R654 IonicContact OE2-NE 3.52Å; E623-R654 PolarHBondContact OE2-NE 3.14Å; E623-R654 IonicContact OE2-NH2 2.7Å; E623-R654 PolarHBondContact OE2-NH2 2.81Å; E623-M660 HydrophobicContact CB-SD 3.74Å; E623-M660 WeakPolarHBondContact OE2-CB 3.44Å; E623-F665 HydrophobicContact CB-CZ 4.24Å
624	V	92.1	Very high	92.4	Very high	83 Å²	83	42.8 Å²	42.8	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-69.4	-35.4	-177	-179.8	0	0	0	0	111.3	N622 R628	N622-V624 PolarHBondContact O-N 3.05Å; N622-V624 PolarHBondContact OD1-N 2.8Å; V624-R628 PolarHBondContact O-N 2.88Å
625	F	92.6	Very high	92.1	Very high	81 Å²	81	39.5 Å²	39.5	36%	0.355	21%	0.207	S	C	.	.	H	α-helix	trans	-82.1	-41	175.3	-176.7	-119.4	0	0	0	111.5	F603 F621 N622 E623 T627 R628 C629	F603-F625 AromaticContact CD1-CE1 3.72Å; F603-F625 HydrophobicContact CD1-CE1 3.72Å; F603-F625 AromaticContact CD1-CZ 3.92Å; F603-F625 HydrophobicContact CD1-CZ 3.92Å; F603-F625 HydrophobicContact CE1-CE1 4.17Å; F603-F625 HydrophobicContact CE1-CZ 4.04Å; F621-F625 AromaticContact CD1-CD1 3.77Å; F621-F625 HydrophobicContact CD1-CD1 3.77Å; F621-F625 AromaticContact CD1-CE1 3.84Å; F621-F625 HydrophobicContact CD1-CE1 3.84Å; F621-F625 HydrophobicContact CE1-CE1 4.14Å; N622-F625 PolarHBondContact O-N 2.88Å; E623-F625 PolarHBondContact O-N 3.46Å; F625-T627 VanDerWaalsContact C-N 3.3Å; F625-T627 PolarHBondContact O-N 3.03Å; F625-R628 WeakPolarHBondContact O-CB 3.4Å; F625-R628 PolarHBondContact O-N 2.86Å; F625-R628 VanDerWaalsContact O-N 3.13Å; F625-C629 PolarHBondContact O-N 3.1Å; F625-C629 PolarHBondContact O-SG 3.13Å
626	A	94.7	Very high	92	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-41.3	173.8	0	0	0	0	0	112.1	F621 N622 E623 C629 A630 V648 F665	F621-A626 HydrophobicContact CB-CB 3.9Å; N622-A626 PolarHBondContact O-N 2.82Å; E623-A626 PolarHBondContact O-N 3.21Å; A626-C629 WeakPolarHBondContact O-CB 3.48Å; A626-C629 PolarHBondContact O-N 3.37Å; A626-A630 WeakPolarHBondContact O-CB 3.44Å; A626-A630 PolarHBondContact O-N 2.96Å; A626-V648 HydrophobicContact CB-CG1 3.65Å; A626-V648 HydrophobicContact CB-CG2 4.05Å; A626-F665 HydrophobicContact CB-CD1 3.91Å; A626-F665 HydrophobicContact CB-CE1 3.52Å; A626-F665 HydrophobicContact CB-CZ 4.35Å
627	T	94.8	Very high	92	Very high	63 Å²	63	39.2 Å²	39.2	39%	0.387	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-40.5	176.3	-59.4	0	0	0	0	111.1	E623 F625 A630 C631	E623-T627 WeakPolarHBondContact O-CB 3.34Å; E623-T627 PolarHBondContact O-N 3.39Å; E623-T627 PolarHBondContact O-OG1 3.46Å; F625-T627 VanDerWaalsContact C-N 3.3Å; F625-T627 PolarHBondContact O-N 3.03Å; T627-A630 PolarHBondContact O-N 3.02Å; T627-C631 WeakPolarHBondContact O-CB 3.45Å; T627-C631 PolarHBondContact O-N 2.88Å; T627-C631 PolarHBondContact O-SG 3.07Å; T627-C631 VanDerWaalsContact O-SG 3.41Å
628	R	93.5	Very high	92	Very high	139 Å²	139	38 Å²	38	53%	0.525	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-45.8	173.6	-169.9	-178.7	-58.5	152.1	6.6	111.3	V624 F625 A630 C631 D632	V624-R628 PolarHBondContact O-N 2.88Å; F625-R628 WeakPolarHBondContact O-CB 3.4Å; F625-R628 PolarHBondContact O-N 2.86Å; F625-R628 VanDerWaalsContact O-N 3.13Å; R628-A630 VanDerWaalsContact C-N 3.34Å; R628-A630 PolarHBondContact O-N 3.09Å; R628-C631 PolarHBondContact O-N 3.1Å; R628-D632 WeakPolarHBondContact CG-OD2 3.48Å; R628-D632 WeakPolarHBondContact O-CB 3.24Å; R628-D632 PolarHBondContact O-N 3.1Å
629	C	92.8	Very high	91.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.034	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-40.2	174.8	-67.6	0	0	0	0	112.7	F606 F625 A626 F633 F637	F606-C629 HydrophobicContact CE2-CB 4.42Å; F606-C629 HydrophobicContact CZ-CB 4.13Å; F625-C629 PolarHBondContact O-N 3.1Å; F625-C629 PolarHBondContact O-SG 3.13Å; A626-C629 WeakPolarHBondContact O-CB 3.48Å; A626-C629 PolarHBondContact O-N 3.37Å; C629-F633 CarbonylContact O-C 3.55Å; C629-F633 WeakPolarHBondContact O-CA 3.5Å; C629-F633 PolarHBondContact O-N 3.12Å; C629-F637 HydrophobicContact CB-CD1 3.66Å; C629-F637 HydrophobicContact CB-CE1 3.69Å; C629-F637 HydrophobicContact CB-CG 4.4Å; C629-F637 HydrophobicContact CB-CZ 4.45Å
630	A	92.1	Very high	91.8	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-29.4	177.4	0	0	0	0	0	113.9	A626 T627 R628 P634 C668 N716	A626-A630 WeakPolarHBondContact O-CB 3.44Å; A626-A630 PolarHBondContact O-N 2.96Å; T627-A630 PolarHBondContact O-N 3.02Å; R628-A630 VanDerWaalsContact C-N 3.34Å; R628-A630 PolarHBondContact O-N 3.09Å; A630-P634 WeakPolarHBondContact O-CB 3.32Å; A630-C668 WeakPolarHBondContact CB-SG 3.28Å; A630-N716 PolarHBondContact O-ND2 2.91Å
631	C	89.8	Confident	91.9	Very high	82 Å²	82	38.8 Å²	38.8	55%	0.554	20%	0.204	S	C	*	.	H	α-helix	trans	-83.2	-52	175.7	-72.5	0	0	0	0	112.4	T627 R628	T627-C631 WeakPolarHBondContact O-CB 3.45Å; T627-C631 PolarHBondContact O-N 2.88Å; T627-C631 PolarHBondContact O-SG 3.07Å; T627-C631 VanDerWaalsContact O-SG 3.41Å; R628-C631 PolarHBondContact O-N 3.1Å
632	D	89.6	Confident	91.9	Very high	100 Å²	100	39.2 Å²	39.2	54%	0.535	21%	0.206	S	C	.	.	H	α-helix	trans	-81.9	-33	-170.7	-64.1	-14.8	0	0	0	112.7	R628	R628-D632 WeakPolarHBondContact CG-OD2 3.48Å; R628-D632 WeakPolarHBondContact O-CB 3.24Å; R628-D632 PolarHBondContact O-N 3.1Å
633	F	89.1	Confident	91.9	Very high	106 Å²	106	41.9 Å²	41.9	47%	0.465	22%	0.216	S	C	.	.			trans	-135.5	44.9	-171.1	-55.6	-77.4	0	0	0	114.2	F606 C629 G635 D636 F637	F606-F633 HydrophobicContact CD2-CB 4.2Å; F606-F633 HydrophobicContact CE2-CB 3.76Å; F606-F633 HydrophobicContact CE2-CG 4.3Å; C629-F633 CarbonylContact O-C 3.55Å; C629-F633 WeakPolarHBondContact O-CA 3.5Å; C629-F633 PolarHBondContact O-N 3.12Å; F633-G635 VanDerWaalsContact C-N 3.31Å; F633-G635 PolarHBondContact O-N 3.46Å; F633-D636 HydrophobicContact CB-CB 4.32Å; F633-D636 PolarHBondContact O-N 3.2Å; F633-F637 PolarHBondContact O-N 3.32Å
634	P	88.7	Confident	92	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-36.7	-172.1	21.4	-34.2	0	0	0	114.4	A630 V638 A715	A630-P634 WeakPolarHBondContact O-CB 3.32Å; P634-V638 VanDerWaalsContact O-CG2 3.31Å; P634-V638 WeakPolarHBondContact O-CG2 3.06Å; P634-V638 PolarHBondContact O-N 3.47Å; P634-A715 HydrophobicContact CB-CB 4.04Å
635	G	86.3	Confident	92.2	Very high	14 Å²	14	37 Å²	37	14%	0.144	19%	0.188	C	C	.	.	H	α-helix	trans	-73.2	-40	179.7	0	0	0	0	0	113.4	F633 N639	F633-G635 VanDerWaalsContact C-N 3.31Å; F633-G635 PolarHBondContact O-N 3.46Å; G635-N639 PolarHBondContact O-N 3.5Å; G635-N639 VanDerWaalsContact O-N 3.07Å; G635-N639 PolarHBondContact O-ND2 2.83Å
636	D	89.8	Confident	92.4	Very high	32 Å²	32	33.1 Å²	33.1	17%	0.171	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-39.3	175.1	-72.6	-56.9	0	0	0	111.1	F606 F633 N639 Y640 H1027	F606-D636 HydrophobicContact CB-CB 4.1Å; F606-D636 HydrophobicContact CD1-CB 4.44Å; F606-D636 HydrophobicContact CD2-CB 3.7Å; F606-D636 HydrophobicContact CE2-CB 4.21Å; F606-D636 HydrophobicContact CG-CB 3.84Å; F633-D636 HydrophobicContact CB-CB 4.32Å; F633-D636 PolarHBondContact O-N 3.2Å; D636-N639 PolarHBondContact O-N 3.01Å; D636-Y640 WeakPolarHBondContact O-CB 3.17Å; D636-Y640 PolarHBondContact O-N 3.2Å; D636-H1027 IonicContact OD1-CE1 2.69Å; D636-H1027 PolarHBondContact OD1-CE1 3.3Å
637	F	93.9	Very high	92.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-41.7	179.5	-154	178	0	0	0	111.9	F606 F621 C629 F633 N639 Y640 N641 A646 C668 C670	F606-F637 HydrophobicContact CE1-CB 4.21Å; F606-F637 AromaticContact CE1-CD2 3.84Å; F606-F637 HydrophobicContact CE1-CD2 3.84Å; F606-F637 HydrophobicContact CE1-CG 4.21Å; F606-F637 HydrophobicContact CZ-CB 3.82Å; F606-F637 AromaticContact CZ-CD2 3.93Å; F606-F637 HydrophobicContact CZ-CD2 3.93Å; F606-F637 AromaticContact CZ-CG 3.86Å; F606-F637 HydrophobicContact CZ-CG 3.86Å; F621-F637 HydrophobicContact CD1-CZ 4.49Å; F621-F637 HydrophobicContact CE1-CE2 4.47Å; F621-F637 HydrophobicContact CE1-CZ 4.44Å; F621-F637 HydrophobicContact CE2-CE2 4.42Å; F621-F637 HydrophobicContact CZ-CE2 4.21Å; C629-F637 HydrophobicContact CB-CD1 3.66Å; C629-F637 HydrophobicContact CB-CE1 3.69Å; C629-F637 HydrophobicContact CB-CG 4.4Å; C629-F637 HydrophobicContact CB-CZ 4.45Å; F633-F637 PolarHBondContact O-N 3.32Å; F637-N639 VanDerWaalsContact C-N 3.35Å; F637-N639 PolarHBondContact O-N 3.45Å; F637-Y640 HydrophobicContact CD2-CD1 4.42Å; F637-Y640 PolarHBondContact O-N 2.93Å; F637-N641 WeakPolarHBondContact CD2-ND2 3.32Å; F637-N641 WeakPolarHBondContact O-CB 3.36Å; F637-N641 PolarHBondContact O-N 3.16Å; F637-N641 PolarHBondContact O-ND2 3.36Å; F637-N641 VanDerWaalsContact O-ND2 3.1Å; F637-A646 HydrophobicContact CE2-CB 4.24Å; F637-C668 HydrophobicContact CB-CB 4.38Å; F637-C668 HydrophobicContact CD1-CB 3.89Å; F637-C668 HydrophobicContact CE1-CB 4.49Å; F637-C668 HydrophobicContact CG-CB 4.18Å; F637-C670 WeakPolarHBondContact CZ-SG 3.28Å
638	V	92.5	Very high	92.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-45	171.2	170.8	0	0	0	0	111.2	P634 N641 K642 C668 M706 F713	P634-V638 VanDerWaalsContact O-CG2 3.31Å; P634-V638 WeakPolarHBondContact O-CG2 3.06Å; P634-V638 PolarHBondContact O-N 3.47Å; V638-N641 PolarHBondContact O-N 3.43Å; V638-K642 PolarHBondContact O-N 2.86Å; V638-C668 WeakPolarHBondContact CA-O 3.46Å; V638-C668 PolarHBondContact N-O 2.78Å; V638-M706 HydrophobicContact CG1-CG 4.48Å; V638-M706 HydrophobicContact CG2-CE 4.32Å; V638-F713 HydrophobicContact CG1-CB 4.38Å; V638-F713 HydrophobicContact CG1-CD1 4.16Å; V638-F713 HydrophobicContact CG2-CD1 4Å
639	N	90.5	Very high	92.7	Very high	46 Å²	46	24.3 Å²	24.3	25%	0.246	13%	0.131	C	C	.	.	H	α-helix	trans	-68.3	-36.8	179.8	-77	-46.2	0	0	0	113	F610 G635 D636 F637 K642	F610-N639 HydrophobicContact CE1-CB 4.31Å; F610-N639 HydrophobicContact CZ-CB 3.88Å; G635-N639 PolarHBondContact O-N 3.5Å; G635-N639 VanDerWaalsContact O-N 3.07Å; G635-N639 PolarHBondContact O-ND2 2.83Å; D636-N639 PolarHBondContact O-N 3.01Å; F637-N639 VanDerWaalsContact C-N 3.35Å; F637-N639 PolarHBondContact O-N 3.45Å; N639-K642 WeakPolarHBondContact O-CB 3.37Å; N639-K642 PolarHBondContact O-N 3.4Å; N639-K642 VanDerWaalsContact OD1-CE 3.26Å; N639-K642 WeakPolarHBondContact OD1-CE 3.4Å; N639-K642 PolarHBondContact OD1-NZ 3.44Å
640	Y	93.4	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58	-49.7	172.4	174.2	-85.9	0	0	0	110.7	F603 F606 Q613 C619 F621 D636 F637 K642 K643 F644 A646	F603-Y640 HydrophobicContact CD2-CE2 4.14Å; F603-Y640 HydrophobicContact CE2-CD2 4.3Å; F603-Y640 AromaticContact CE2-CE2 3.99Å; F603-Y640 HydrophobicContact CE2-CE2 3.99Å; F606-Y640 AromaticContact CD1-CD2 3.88Å; F606-Y640 HydrophobicContact CD1-CD2 3.88Å; F606-Y640 HydrophobicContact CD1-CG 4Å; F606-Y640 HydrophobicContact CE1-CD2 4.23Å; F606-Y640 HydrophobicContact CE1-CG 4.01Å; Q613-Y640 PolarHBondContact NE2-OH 3.26Å; Q613-Y640 PolarHBondContact OE1-OH 2.95Å; C619-Y640 WeakPolarHBondContact CB-OH 3.46Å; C619-Y640 PolarHBondContact SG-OH 2.7Å; F621-Y640 HydrophobicContact CE2-CE1 4.49Å; F621-Y640 HydrophobicContact CZ-CE1 4.36Å; D636-Y640 WeakPolarHBondContact O-CB 3.17Å; D636-Y640 PolarHBondContact O-N 3.2Å; F637-Y640 HydrophobicContact CD2-CD1 4.42Å; F637-Y640 PolarHBondContact O-N 2.93Å; Y640-K642 PolarHBondContact O-N 3.19Å; Y640-K642 VanDerWaalsContact O-N 3.13Å; Y640-K643 PolarHBondContact O-N 2.97Å; Y640-K643 VanDerWaalsContact O-N 3.15Å; Y640-F644 HydrophobicContact CD1-CB 4.26Å; Y640-F644 AromaticContact CD2-CD2 3.68Å; Y640-F644 HydrophobicContact CD2-CD2 3.68Å; Y640-F644 HydrophobicContact CD2-CE2 4.37Å; Y640-F644 HydrophobicContact CE1-CB 3.78Å; Y640-F644 HydrophobicContact CE2-CB 4.17Å; Y640-F644 AromaticContact CE2-CD2 3.73Å; Y640-F644 HydrophobicContact CE2-CD2 3.73Å; Y640-F644 HydrophobicContact CE2-CG 4.21Å; Y640-F644 HydrophobicContact CG-CD2 4.13Å; Y640-F644 PolarHBondContact O-N 2.85Å; Y640-A646 HydrophobicContact CE1-CB 4.28Å
641	N	95.3	Very high	92.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68	-9.5	-178.7	-72.9	-37.3	0	0	0	113.9	F637 V638 A646 C668 C670 Q671 R702	F637-N641 WeakPolarHBondContact CD2-ND2 3.32Å; F637-N641 WeakPolarHBondContact O-CB 3.36Å; F637-N641 PolarHBondContact O-N 3.16Å; F637-N641 PolarHBondContact O-ND2 3.36Å; F637-N641 VanDerWaalsContact O-ND2 3.1Å; V638-N641 PolarHBondContact O-N 3.43Å; N641-A646 WeakPolarHBondContact OD1-CB 3.49Å; N641-C668 PolarHBondContact ND2-O 2.87Å; N641-C670 PolarHBondContact ND2-N 3.03Å; N641-C670 PolarHBondContact ND2-SG 2.87Å; N641-C670 VanDerWaalsContact ND2-SG 3.4Å; N641-Q671 PolarHBondContact O-NE2 3.42Å; N641-R702 VanDerWaalsContact O-CZ 3.25Å; N641-R702 PolarHBondContact O-NH1 2.9Å; N641-R702 PolarHBondContact O-NH2 3.02Å
642	K	93.3	Very high	92.3	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.048	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-45.1	168.4	-67.4	174.7	179.3	179.6	0	111.3	S407 H408 V638 N639 Y640 E708 S711	S407-K642 WeakPolarHBondContact CB-O 3.41Å; S407-K642 PolarHBondContact OG-O 3.37Å; H408-K642 PolarHBondContact CD2-O 3.49Å; H408-K642 PolarHBondContact NE2-O 3.11Å; V638-K642 PolarHBondContact O-N 2.86Å; N639-K642 WeakPolarHBondContact O-CB 3.37Å; N639-K642 PolarHBondContact O-N 3.4Å; N639-K642 VanDerWaalsContact OD1-CE 3.26Å; N639-K642 WeakPolarHBondContact OD1-CE 3.4Å; N639-K642 PolarHBondContact OD1-NZ 3.44Å; Y640-K642 PolarHBondContact O-N 3.19Å; Y640-K642 VanDerWaalsContact O-N 3.13Å; K642-E708 WeakPolarHBondContact CD-O 3.5Å; K642-E708 WeakPolarHBondContact CE-O 3.3Å; K642-E708 PolarHBondContact NZ-O 3.38Å; K642-S711 PolarHBondContact NZ-O 3.37Å; K642-S711 PolarHBondContact NZ-OG 3.28Å
643	K	91.6	Very high	92.1	Very high	71 Å²	71	22.6 Å²	22.6	31%	0.309	12%	0.116	S	C	.	.	H	α-helix	trans	-103.3	-36	-171.8	-174.7	169.8	179.3	166.4	0	114.1	C527 Y640	C527-K643 VanDerWaalsContact O-CE 3.24Å; C527-K643 WeakPolarHBondContact O-CE 3.35Å; Y640-K643 PolarHBondContact O-N 2.97Å; Y640-K643 VanDerWaalsContact O-N 3.15Å
644	F	95.3	Very high	92.2	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.105	C	C	.	.	S	Bend	trans	-109.1	157.7	-173	-52.1	-64.3	0	0	0	111.6	F610 Q613 K614 Y640 Q671	F610-F644 HydrophobicContact CD1-CE2 4.31Å; Q613-F644 HydrophobicContact CB-CD1 4.29Å; Q613-F644 HydrophobicContact CB-CE1 3.76Å; Q613-F644 HydrophobicContact CB-CE2 4.46Å; Q613-F644 HydrophobicContact CB-CZ 3.84Å; Q613-F644 HydrophobicContact CG-CD1 3.81Å; Q613-F644 HydrophobicContact CG-CE1 3.76Å; Q613-F644 HydrophobicContact CG-CG 4.38Å; Q613-F644 HydrophobicContact CG-CZ 4.28Å; Q613-F644 VanDerWaalsContact O-CE1 3.29Å; Q613-F644 WeakPolarHBondContact O-CE1 3.41Å; K614-F644 WeakPolarHBondContact O-CD1 3.44Å; Y640-F644 HydrophobicContact CD1-CB 4.26Å; Y640-F644 AromaticContact CD2-CD2 3.68Å; Y640-F644 HydrophobicContact CD2-CD2 3.68Å; Y640-F644 HydrophobicContact CD2-CE2 4.37Å; Y640-F644 HydrophobicContact CE1-CB 3.78Å; Y640-F644 HydrophobicContact CE2-CB 4.17Å; Y640-F644 AromaticContact CE2-CD2 3.73Å; Y640-F644 HydrophobicContact CE2-CD2 3.73Å; Y640-F644 HydrophobicContact CE2-CG 4.21Å; Y640-F644 HydrophobicContact CG-CD2 4.13Å; Y640-F644 PolarHBondContact O-N 2.85Å; F644-Q671 PolarHBondContact O-NE2 3.18Å
645	L	96.5	Very high	92.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.5	170.9	-69.3	176.1	0	0	0	110.5	L406 I411 L529 L618 C619 Q671	L406-L645 HydrophobicContact CD2-CD1 4.27Å; I411-L645 HydrophobicContact CD1-CD2 4.43Å; L529-L645 HydrophobicContact CD1-CD1 3.53Å; L529-L645 HydrophobicContact CD1-CG 3.78Å; L618-L645 HydrophobicContact CB-CB 4.27Å; L618-L645 HydrophobicContact CD1-CB 3.83Å; L618-L645 HydrophobicContact CD1-CD1 4.1Å; L618-L645 HydrophobicContact CG-CB 3.99Å; C619-L645 PolarHBondContact N-O 3.46Å; L645-Q671 HydrophobicContact CD2-CB 3.94Å; L645-Q671 HydrophobicContact CD2-CG 3.78Å
646	A	97.1	Very high	92.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130	165	0	0	0	0	0	110.5	C619 F621 F637 Y640 N641 C670 I672	C619-A646 WeakPolarHBondContact O-CA 3.25Å; F621-A646 HydrophobicContact CD2-CB 4.1Å; F621-A646 HydrophobicContact CE2-CB 3.71Å; F637-A646 HydrophobicContact CE2-CB 4.24Å; Y640-A646 HydrophobicContact CE1-CB 4.28Å; N641-A646 WeakPolarHBondContact OD1-CB 3.49Å; A646-C670 HydrophobicContact CB-CB 4.4Å; A646-I672 PolarHBondContact O-N 3.49Å; A646-I672 VanDerWaalsContact O-N 3.16Å
647	R	97.4	Very high	92.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131	161.3	-177.8	175.6	-161.8	-110	4	109.5	S414 E445 E562 L618 C619 S620 F621 I672	S414-R647 PolarHBondContact O-NH2 2.97Å; E445-R647 IonicContact OE1-CZ 2.64Å; E445-R647 IonicContact OE1-NH1 3.5Å; E445-R647 PolarHBondContact OE1-NH1 3.48Å; E445-R647 IonicContact OE1-NH2 2.72Å; E445-R647 PolarHBondContact OE1-NH2 3.28Å; E445-R647 IonicContact OE2-CZ 3.6Å; E445-R647 IonicContact OE2-NH1 3.62Å; E445-R647 PolarHBondContact OE2-NH1 2.74Å; E445-R647 IonicContact OE2-NH2 2.73Å; E445-R647 PolarHBondContact OE2-NH2 2.69Å; E562-R647 IonicContact OE1-NH1 3.36Å; E562-R647 IonicContact OE2-CZ 2.71Å; E562-R647 IonicContact OE2-NH1 2.69Å; E562-R647 PolarHBondContact OE2-NH1 2.99Å; L618-R647 HydrophobicContact CD2-CB 4.29Å; C619-R647 PolarHBondContact O-N 2.73Å; S620-R647 CarbonylContact C-O 3.54Å; S620-R647 WeakPolarHBondContact CA-O 3.38Å; F621-R647 WeakPolarHBondContact CD2-O 3.41Å; F621-R647 PolarHBondContact N-O 2.77Å; R647-I672 CarbonylContact C-O 3.57Å; R647-I672 VanDerWaalsContact CA-O 3.28Å; R647-I672 WeakPolarHBondContact CA-O 3.12Å; R647-I672 HydrophobicContact CB-CB 4.19Å; R647-I672 HydrophobicContact CB-CG2 4.2Å; R647-I672 HydrophobicContact CG-CB 4.29Å; R647-I672 HydrophobicContact CG-CG2 3.81Å
648	V	97.4	Very high	92.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.4	169.3	-173.1	0	0	0	0	108.2	F621 A626 M660 F665 C670 I672 A674	F621-V648 WeakPolarHBondContact O-CA 3.42Å; A626-V648 HydrophobicContact CB-CG1 3.65Å; A626-V648 HydrophobicContact CB-CG2 4.05Å; V648-M660 HydrophobicContact CB-CE 4.22Å; V648-M660 HydrophobicContact CG1-CE 3.88Å; V648-M660 HydrophobicContact CG1-SD 4.05Å; V648-M660 WeakPolarHBondContact O-CE 3.46Å; V648-F665 HydrophobicContact CB-CG 4.31Å; V648-F665 HydrophobicContact CG1-CD1 3.98Å; V648-F665 HydrophobicContact CG1-CD2 3.96Å; V648-F665 HydrophobicContact CG1-CE1 4.01Å; V648-F665 HydrophobicContact CG1-CE2 3.98Å; V648-F665 HydrophobicContact CG1-CG 3.96Å; V648-F665 HydrophobicContact CG1-CZ 4.01Å; V648-F665 HydrophobicContact CG2-CB 4.27Å; V648-F665 HydrophobicContact CG2-CD1 4.2Å; V648-F665 HydrophobicContact CG2-CG 4.18Å; V648-C670 HydrophobicContact CG2-CB 4Å; V648-I672 PolarHBondContact N-O 3.37Å; V648-A674 WeakPolarHBondContact O-CB 3.28Å; V648-A674 PolarHBondContact O-N 3.37Å
649	Y	94.9	Very high	92.8	Very high	16 Å²	16	28.5 Å²	28.5	6%	0.063	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.9	-178.7	64.4	-86.3	0	0	0	112.2	E562 F621 N622 E623	E562-Y649 HydrophobicContact CB-CE1 4.16Å; E562-Y649 HydrophobicContact CB-CE2 3.99Å; E562-Y649 HydrophobicContact CG-CD1 4.36Å; E562-Y649 HydrophobicContact CG-CE1 3.73Å; E562-Y649 HydrophobicContact CG-CE2 4.47Å; E562-Y649 WeakPolarHBondContact OE2-CD1 3.49Å; E562-Y649 VanDerWaalsContact OE2-CE1 3.24Å; E562-Y649 WeakPolarHBondContact OE2-CE1 3.13Å; F621-Y649 WeakPolarHBondContact O-CD1 3.4Å; F621-Y649 PolarHBondContact O-N 2.85Å; N622-Y649 HydrophobicContact CB-CE1 4.35Å; N622-Y649 HydrophobicContact CB-CE2 4.06Å; N622-Y649 VanDerWaalsContact N-CE1 3.29Å; E623-Y649 PolarHBondContact N-O 3.1Å
650	P	94.2	Very high	93.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.134	C	C	.	.			trans	-67.8	152.6	-177.9	-13.7	29.7	0	0	0	112.1	H415 M660	H415-P650 HydrophobicContact CB-CG 4.28Å; P650-M660 HydrophobicContact CG-SD 4.39Å
651	S	89.4	Confident	93.2	Very high	15 Å²	15	28.4 Å²	28.4	11%	0.105	14%	0.144	C	C	.	.			trans	-67.6	141.1	178	-174.4	0	0	0	0	111.7	E623 M653 R654	E623-S651 WeakPolarHBondContact OE1-CB 3.32Å; E623-S651 PolarHBondContact OE1-N 2.77Å; S651-M653 PolarHBondContact O-N 2.75Å; S651-M653 PolarHBondContact OG-N 3.2Å; S651-R654 WeakPolarHBondContact O-CB 3.29Å; S651-R654 PolarHBondContact O-N 3.37Å
652	P	82.3	Confident	93.3	Very high	36 Å²	36	28.4 Å²	28.4	23%	0.234	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-10.6	169.9	-26.9	35.4	0	0	0	115.3	M566 R654	M566-P652 HydrophobicContact CB-CB 4.1Å; M566-P652 HydrophobicContact CG-CB 4.39Å; M566-P652 HydrophobicContact SD-CB 3.99Å; P652-R654 PolarHBondContact O-N 2.75Å
653	M	85.9	Confident	93.4	Very high	105 Å²	105	28.1 Å²	28.1	52%	0.517	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.3	172.1	-55.7	-66.7	85.7	0	0	113.2	M566 S651 I655	M566-M653 HydrophobicContact CE-CE 4.45Å; M566-M653 HydrophobicContact SD-CE 3.88Å; S651-M653 PolarHBondContact O-N 2.75Å; S651-M653 PolarHBondContact OG-N 3.2Å; M653-I655 PolarHBondContact O-N 3.08Å
654	R	90.3	Very high	93.5	Very high	60 Å²	60	27.6 Å²	27.6	23%	0.226	14%	0.144	C	C	.	.			trans	-82.4	61.1	175	-63.9	-178.7	176.9	-93.9	9.1	111.3	Q423 E623 S651 P652 D656 S657 S658 N659	Q423-R654 WeakPolarHBondContact CG-O 3.41Å; E623-R654 WeakPolarHBondContact OE1-CD 3.3Å; E623-R654 IonicContact OE1-CZ 2.73Å; E623-R654 IonicContact OE1-NE 3.84Å; E623-R654 PolarHBondContact OE1-NE 3.42Å; E623-R654 IonicContact OE1-NH2 3.5Å; E623-R654 IonicContact OE2-CZ 3.78Å; E623-R654 IonicContact OE2-NE 3.52Å; E623-R654 PolarHBondContact OE2-NE 3.14Å; E623-R654 IonicContact OE2-NH2 2.7Å; E623-R654 PolarHBondContact OE2-NH2 2.81Å; S651-R654 WeakPolarHBondContact O-CB 3.29Å; S651-R654 PolarHBondContact O-N 3.37Å; P652-R654 PolarHBondContact O-N 2.75Å; R654-D656 PolarHBondContact O-N 3.15Å; R654-S657 PolarHBondContact O-N 3.05Å; R654-S658 WeakPolarHBondContact CB-OG 3.4Å; R654-S658 WeakPolarHBondContact CD-O 3.45Å; R654-S658 WeakPolarHBondContact CG-OG 3.41Å; R654-S658 PolarHBondContact NH1-OG 3.32Å; R654-N659 PolarHBondContact NH1-O 2.88Å; R654-N659 VanDerWaalsContact NH1-O 3.15Å
655	I	88.5	Confident	93.6	Very high	85 Å²	85	27.8 Å²	27.8	44%	0.436	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.3	-177.8	-59.6	171	0	0	0	110.9	D422 Q423 F424 M653 S657	D422-I655 WeakPolarHBondContact CB-O 3.37Å; Q423-I655 PolarHBondContact N-O 3.35Å; F424-I655 HydrophobicContact CB-CG2 3.96Å; M653-I655 PolarHBondContact O-N 3.08Å; I655-S657 PolarHBondContact O-N 2.89Å; I655-S657 VanDerWaalsContact O-N 3.17Å
656	D	90.6	Very high	93.6	Very high	108 Å²	108	27.7 Å²	27.7	58%	0.578	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	4.2	175.5	68.8	-19.8	0	0	0	115.1	R654 S658	R654-D656 PolarHBondContact O-N 3.15Å; D656-S658 PolarHBondContact O-N 3.19Å; D656-S658 WeakPolarHBondContact OD1-CB 3.31Å; D656-S658 PolarHBondContact OD1-N 2.76Å; D656-S658 PolarHBondContact OD1-OG 3.08Å; D656-S658 VanDerWaalsContact OD2-CB 3.31Å; D656-S658 WeakPolarHBondContact OD2-CB 3.39Å; D656-S658 PolarHBondContact OD2-OG 2.76Å
657	S	93.5	Very high	93.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	15%	0.148	C	C	.	.			trans	57.7	22.7	-170.9	-60.5	0	0	0	0	113.6	E421 D422 Q423 R654 I655 N676 Q678 T679	E421-S657 WeakPolarHBondContact O-CB 3.36Å; E421-S657 PolarHBondContact O-OG 2.67Å; D422-S657 WeakPolarHBondContact CA-OG 3.47Å; Q423-S657 PolarHBondContact NE2-OG 3.43Å; R654-S657 PolarHBondContact O-N 3.05Å; I655-S657 PolarHBondContact O-N 2.89Å; I655-S657 VanDerWaalsContact O-N 3.17Å; S657-N676 VanDerWaalsContact O-CB 3.22Å; S657-N676 WeakPolarHBondContact O-CB 3.27Å; S657-N676 PolarHBondContact O-ND2 2.77Å; S657-N676 VanDerWaalsContact O-ND2 3.13Å; S657-Q678 PolarHBondContact OG-NE2 3.5Å; S657-T679 WeakPolarHBondContact CB-OG1 3.43Å; S657-T679 VanDerWaalsContact O-CB 3.3Å; S657-T679 WeakPolarHBondContact O-CB 3.41Å; S657-T679 PolarHBondContact O-OG1 3.15Å
658	S	95.6	Very high	93.3	Very high	24 Å²	24	28.7 Å²	28.7	17%	0.168	15%	0.148	C	C	.	.			trans	-56.9	158.9	174.7	55.3	0	0	0	0	112.1	R654 D656 N676	R654-S658 WeakPolarHBondContact CB-OG 3.4Å; R654-S658 WeakPolarHBondContact CD-O 3.45Å; R654-S658 WeakPolarHBondContact CG-OG 3.41Å; R654-S658 PolarHBondContact NH1-OG 3.32Å; D656-S658 PolarHBondContact O-N 3.19Å; D656-S658 WeakPolarHBondContact OD1-CB 3.31Å; D656-S658 PolarHBondContact OD1-N 2.76Å; D656-S658 PolarHBondContact OD1-OG 3.08Å; D656-S658 VanDerWaalsContact OD2-CB 3.31Å; D656-S658 WeakPolarHBondContact OD2-CB 3.39Å; D656-S658 PolarHBondContact OD2-OG 2.76Å; S658-N676 PolarHBondContact O-ND2 3.33Å
659	N	96.4	Very high	93.1	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	15%	0.149	C	C	.	.			trans	-106.9	145.3	-178.5	-85.7	-56.5	0	0	0	111.6	R654 M675 N676 M683	R654-N659 PolarHBondContact NH1-O 2.88Å; R654-N659 VanDerWaalsContact NH1-O 3.15Å; N659-M675 HydrophobicContact CB-CE 3.83Å; N659-M675 WeakPolarHBondContact OD1-CA 3.3Å; N659-N676 PolarHBondContact ND2-O 3.16Å; N659-N676 PolarHBondContact OD1-N 3.41Å; N659-M683 HydrophobicContact CB-CB 3.61Å; N659-M683 HydrophobicContact CB-CG 4.18Å
660	M	95.7	Very high	93.3	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.146	C	C	.	.			trans	-76.2	160.1	165.8	66.5	-162.4	178.9	0	0	110.6	E623 V648 P650 P662 F665 V673 A674 M683	E623-M660 HydrophobicContact CB-SD 3.74Å; E623-M660 WeakPolarHBondContact OE2-CB 3.44Å; V648-M660 HydrophobicContact CB-CE 4.22Å; V648-M660 HydrophobicContact CG1-CE 3.88Å; V648-M660 HydrophobicContact CG1-SD 4.05Å; V648-M660 WeakPolarHBondContact O-CE 3.46Å; P650-M660 HydrophobicContact CG-SD 4.39Å; M660-P662 VanDerWaalsContact O-CD 3.32Å; M660-P662 WeakPolarHBondContact O-CD 3.48Å; M660-F665 HydrophobicContact CB-CE2 4.18Å; M660-F665 HydrophobicContact CE-CD2 4.35Å; M660-F665 HydrophobicContact CE-CE2 4.31Å; M660-F665 HydrophobicContact CG-CD2 4.43Å; M660-F665 HydrophobicContact CG-CE2 3.83Å; M660-F665 HydrophobicContact SD-CD2 4.27Å; M660-F665 HydrophobicContact SD-CE2 3.65Å; M660-F665 HydrophobicContact SD-CZ 4.4Å; M660-V673 HydrophobicContact CE-CG1 3.8Å; M660-A674 WeakPolarHBondContact CE-O 3.19Å; M660-M683 WeakPolarHBondContact O-CB 3.31Å
661	N	96.4	Very high	93.5	Very high	42 Å²	42	27.9 Å²	27.9	23%	0.225	15%	0.146	C	C	.	.			trans	-73.6	115.2	174.4	178.3	14.8	0	0	0	109.9	Q663 D664 M683	N661-Q663 VanDerWaalsContact C-N 3.26Å; N661-Q663 PolarHBondContact O-N 3.4Å; N661-Q663 WeakPolarHBondContact OD1-CB 3.47Å; N661-Q663 PolarHBondContact OD1-N 3.37Å; N661-D664 WeakPolarHBondContact CB-OD2 3.44Å; N661-D664 PolarHBondContact ND2-OD2 3.1Å; N661-D664 PolarHBondContact O-N 2.98Å; N661-M683 HydrophobicContact CB-CE 4.31Å; N661-M683 HydrophobicContact CB-SD 3.89Å
662	P	97.1	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.4	-176.3	28.7	-35.1	0	0	0	112.4	M660 D664 F665 W666 V673 M675 L686	M660-P662 VanDerWaalsContact O-CD 3.32Å; M660-P662 WeakPolarHBondContact O-CD 3.48Å; P662-D664 PolarHBondContact O-N 3.32Å; P662-F665 PolarHBondContact O-N 3.43Å; P662-F665 VanDerWaalsContact O-N 3.1Å; P662-W666 HydrophobicContact CB-CD2 4.14Å; P662-W666 HydrophobicContact CB-CE3 4.16Å; P662-W666 HydrophobicContact CB-CH2 3.67Å; P662-W666 HydrophobicContact CB-CZ2 3.63Å; P662-W666 HydrophobicContact CB-CZ3 3.95Å; P662-W666 HydrophobicContact CG-CE3 4.46Å; P662-W666 HydrophobicContact CG-CH2 3.77Å; P662-W666 HydrophobicContact CG-CZ2 4.24Å; P662-W666 HydrophobicContact CG-CZ3 3.9Å; P662-W666 PolarHBondContact O-N 3.28Å; P662-V673 HydrophobicContact CB-CG1 3.81Å; P662-M675 HydrophobicContact CB-CE 4.3Å; P662-M675 HydrophobicContact CB-SD 4.15Å; P662-M675 HydrophobicContact CG-CE 4.11Å; P662-L686 HydrophobicContact CG-CB 4.17Å
663	Q	94.9	Very high	94.7	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-30.7	-179.2	-171.2	64.5	19.2	0	0	112.4	N661 F665 K667 G762 L797	N661-Q663 VanDerWaalsContact C-N 3.26Å; N661-Q663 PolarHBondContact O-N 3.4Å; N661-Q663 WeakPolarHBondContact OD1-CB 3.47Å; N661-Q663 PolarHBondContact OD1-N 3.37Å; Q663-F665 PolarHBondContact O-N 3.22Å; Q663-K667 WeakPolarHBondContact O-CB 3.03Å; Q663-K667 VanDerWaalsContact O-CG 3.23Å; Q663-K667 WeakPolarHBondContact O-CG 3.26Å; Q663-K667 PolarHBondContact O-N 3Å; Q663-G762 WeakPolarHBondContact CG-O 3.46Å; Q663-G762 VanDerWaalsContact NE2-CA 3.3Å; Q663-G762 PolarHBondContact NE2-O 2.9Å; Q663-L797 PolarHBondContact NE2-O 2.8Å
664	D	94.1	Very high	95.2	Very high	61 Å²	61	20.6 Å²	20.6	33%	0.326	11%	0.105	S	C	.	.	H	α-helix	trans	-66.7	-20.5	178.1	-78.4	-51.1	0	0	0	113.4	N661 P662 K667	N661-D664 WeakPolarHBondContact CB-OD2 3.44Å; N661-D664 PolarHBondContact ND2-OD2 3.1Å; N661-D664 PolarHBondContact O-N 2.98Å; P662-D664 PolarHBondContact O-N 3.32Å; D664-K667 VanDerWaalsContact O-CE 3.31Å; D664-K667 WeakPolarHBondContact O-CE 3.37Å; D664-K667 WeakPolarHBondContact O-CG 3.38Å; D664-K667 WeakPolarHBondContact OD1-CE 3.18Å; D664-K667 IonicContact OD1-NZ 2.67Å; D664-K667 PolarHBondContact OD1-NZ 2.9Å
665	F	96.9	Very high	95.6	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-104.5	-35.8	176.8	-52.8	-62.6	0	0	0	112.3	E623 A626 V648 M660 P662 Q663 K667 C668 G669 C670 V673	E623-F665 HydrophobicContact CB-CZ 4.24Å; A626-F665 HydrophobicContact CB-CD1 3.91Å; A626-F665 HydrophobicContact CB-CE1 3.52Å; A626-F665 HydrophobicContact CB-CZ 4.35Å; V648-F665 HydrophobicContact CB-CG 4.31Å; V648-F665 HydrophobicContact CG1-CD1 3.98Å; V648-F665 HydrophobicContact CG1-CD2 3.96Å; V648-F665 HydrophobicContact CG1-CE1 4.01Å; V648-F665 HydrophobicContact CG1-CE2 3.98Å; V648-F665 HydrophobicContact CG1-CG 3.96Å; V648-F665 HydrophobicContact CG1-CZ 4.01Å; V648-F665 HydrophobicContact CG2-CB 4.27Å; V648-F665 HydrophobicContact CG2-CD1 4.2Å; V648-F665 HydrophobicContact CG2-CG 4.18Å; M660-F665 HydrophobicContact CB-CE2 4.18Å; M660-F665 HydrophobicContact CE-CD2 4.35Å; M660-F665 HydrophobicContact CE-CE2 4.31Å; M660-F665 HydrophobicContact CG-CD2 4.43Å; M660-F665 HydrophobicContact CG-CE2 3.83Å; M660-F665 HydrophobicContact SD-CD2 4.27Å; M660-F665 HydrophobicContact SD-CE2 3.65Å; M660-F665 HydrophobicContact SD-CZ 4.4Å; P662-F665 PolarHBondContact O-N 3.43Å; P662-F665 VanDerWaalsContact O-N 3.1Å; Q663-F665 PolarHBondContact O-N 3.22Å; F665-K667 VanDerWaalsContact C-N 3.33Å; F665-K667 PolarHBondContact O-N 3.46Å; F665-C668 CarbonylContact O-C 3.53Å; F665-C668 WeakPolarHBondContact O-CA 3.47Å; F665-C668 WeakPolarHBondContact O-CB 3.38Å; F665-C668 PolarHBondContact O-N 3.45Å; F665-G669 PolarHBondContact O-N 3.4Å; F665-C670 HydrophobicContact CB-CB 4.01Å; F665-C670 WeakPolarHBondContact O-CB 3.49Å; F665-C670 PolarHBondContact O-N 3.12Å; F665-C670 VanDerWaalsContact O-N 3.13Å; F665-V673 HydrophobicContact CB-CG1 4.35Å; F665-V673 HydrophobicContact CB-CG2 3.81Å; F665-V673 HydrophobicContact CD2-CG1 4.14Å
666	W	96.7	Very high	96	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-38.5	172.3	-65.9	-27.6	0	0	0	112.4	Y410 P662 C668 G669 V673 W690 F691 L797 M799	Y410-W666 HydrophobicContact CD1-CB 4.22Å; Y410-W666 AromaticContact CD1-CD1 3.48Å; Y410-W666 VanDerWaalsContact CD1-CD1 3.48Å; Y410-W666 AromaticContact CD1-CG 3.98Å; Y410-W666 HydrophobicContact CD1-CG 3.98Å; Y410-W666 HydrophobicContact CE1-CB 3.77Å; Y410-W666 AromaticContact CE1-CD1 3.9Å; Y410-W666 HydrophobicContact CE1-CG 4.05Å; Y410-W666 WeakPolarHBondContact CE1-O 3.41Å; Y410-W666 HydrophobicContact CG-CG 4.47Å; Y410-W666 PolarHBondContact OH-O 2.87Å; P662-W666 HydrophobicContact CB-CD2 4.14Å; P662-W666 HydrophobicContact CB-CE3 4.16Å; P662-W666 HydrophobicContact CB-CH2 3.67Å; P662-W666 HydrophobicContact CB-CZ2 3.63Å; P662-W666 HydrophobicContact CB-CZ3 3.95Å; P662-W666 HydrophobicContact CG-CE3 4.46Å; P662-W666 HydrophobicContact CG-CH2 3.77Å; P662-W666 HydrophobicContact CG-CZ2 4.24Å; P662-W666 HydrophobicContact CG-CZ3 3.9Å; P662-W666 PolarHBondContact O-N 3.28Å; W666-C668 PolarHBondContact O-N 2.8Å; W666-C668 VanDerWaalsContact O-N 3.13Å; W666-G669 WeakPolarHBondContact O-CA 3.47Å; W666-G669 PolarHBondContact O-N 3.12Å; W666-V673 VanDerWaalsContact CD1-CG2 3.49Å; W666-W690 HydrophobicContact CE3-CD2 4.43Å; W666-W690 HydrophobicContact CE3-CG 4.23Å; W666-W690 HydrophobicContact CH2-CB 3.58Å; W666-W690 AromaticContact CH2-CD1 3.69Å; W666-W690 AromaticContact CH2-CG 3.71Å; W666-W690 HydrophobicContact CH2-CG 3.71Å; W666-W690 HydrophobicContact CZ2-CB 4.47Å; W666-W690 AromaticContact CZ2-CD1 3.83Å; W666-W690 HydrophobicContact CZ2-CG 4.31Å; W666-W690 HydrophobicContact CZ3-CB 3.75Å; W666-W690 AromaticContact CZ3-CD1 3.87Å; W666-W690 HydrophobicContact CZ3-CD2 4.18Å; W666-W690 AromaticContact CZ3-CG 3.66Å; W666-W690 HydrophobicContact CZ3-CG 3.66Å; W666-F691 HydrophobicContact CH2-CE2 4.44Å; W666-F691 AromaticContact CZ2-CE2 3.75Å; W666-F691 HydrophobicContact CZ2-CE2 3.75Å; W666-F691 HydrophobicContact CZ2-CZ 4.35Å; W666-L797 HydrophobicContact CB-CD2 4.28Å; W666-M799 HydrophobicContact CE3-CE 4.42Å; W666-M799 HydrophobicContact CZ3-CE 3.9Å
667	K	92.9	Very high	96.2	Very high	20 Å²	20	9 Å²	9	9%	0.087	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.7	172.4	70.9	-176.3	-168.5	-165.9	0	113.7	Q663 D664 F665 M706 A715	Q663-K667 WeakPolarHBondContact O-CB 3.03Å; Q663-K667 VanDerWaalsContact O-CG 3.23Å; Q663-K667 WeakPolarHBondContact O-CG 3.26Å; Q663-K667 PolarHBondContact O-N 3Å; D664-K667 VanDerWaalsContact O-CE 3.31Å; D664-K667 WeakPolarHBondContact O-CE 3.37Å; D664-K667 WeakPolarHBondContact O-CG 3.38Å; D664-K667 WeakPolarHBondContact OD1-CE 3.18Å; D664-K667 IonicContact OD1-NZ 2.67Å; D664-K667 PolarHBondContact OD1-NZ 2.9Å; F665-K667 VanDerWaalsContact C-N 3.33Å; F665-K667 PolarHBondContact O-N 3.46Å; K667-M706 WeakPolarHBondContact O-CE 3.23Å; K667-A715 HydrophobicContact CB-CB 4.16Å; K667-A715 HydrophobicContact CD-CB 4.12Å; K667-A715 HydrophobicContact CG-CB 3.79Å; K667-A715 WeakPolarHBondContact O-CB 3.39Å
668	C	94.6	Very high	96.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2	172.6	-63.8	0	0	0	0	113.2	A630 F637 V638 N641 F665 W666	A630-C668 WeakPolarHBondContact CB-SG 3.28Å; F637-C668 HydrophobicContact CB-CB 4.38Å; F637-C668 HydrophobicContact CD1-CB 3.89Å; F637-C668 HydrophobicContact CE1-CB 4.49Å; F637-C668 HydrophobicContact CG-CB 4.18Å; V638-C668 WeakPolarHBondContact CA-O 3.46Å; V638-C668 PolarHBondContact N-O 2.78Å; N641-C668 PolarHBondContact ND2-O 2.87Å; F665-C668 CarbonylContact O-C 3.53Å; F665-C668 WeakPolarHBondContact O-CA 3.47Å; F665-C668 WeakPolarHBondContact O-CB 3.38Å; F665-C668 PolarHBondContact O-N 3.45Å; W666-C668 PolarHBondContact O-N 2.8Å; W666-C668 VanDerWaalsContact O-N 3.13Å
669	G	94.9	Very high	96.2	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	1.6	178.6	0	0	0	0	0	115.4	F665 W666 Q671 R702	F665-G669 PolarHBondContact O-N 3.4Å; W666-G669 WeakPolarHBondContact O-CA 3.47Å; W666-G669 PolarHBondContact O-N 3.12Å; G669-Q671 PolarHBondContact O-N 2.69Å; G669-R702 PolarHBondContact O-NH1 3.29Å
670	C	97.8	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.			trans	-57.9	125.4	-177.1	-59.1	0	0	0	0	110.5	F637 N641 A646 V648 F665 V673	F637-C670 WeakPolarHBondContact CZ-SG 3.28Å; N641-C670 PolarHBondContact ND2-N 3.03Å; N641-C670 PolarHBondContact ND2-SG 2.87Å; N641-C670 VanDerWaalsContact ND2-SG 3.4Å; A646-C670 HydrophobicContact CB-CB 4.4Å; V648-C670 HydrophobicContact CG2-CB 4Å; F665-C670 HydrophobicContact CB-CB 4.01Å; F665-C670 WeakPolarHBondContact O-CB 3.49Å; F665-C670 PolarHBondContact O-N 3.12Å; F665-C670 VanDerWaalsContact O-N 3.13Å; C670-V673 HydrophobicContact CB-CG2 4.04Å
671	Q	98.4	Very high	96	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-80.5	-47.4	-169.8	-59.9	89.6	-14.2	0	0	112	S407 Y409 I411 N641 F644 L645 G669	S407-Q671 PolarHBondContact O-NE2 2.74Å; Y409-Q671 VanDerWaalsContact O-CB 3.22Å; Y409-Q671 WeakPolarHBondContact O-CB 3.26Å; Y409-Q671 WeakPolarHBondContact O-CG 3.45Å; I411-Q671 HydrophobicContact CD1-CB 4.22Å; I411-Q671 HydrophobicContact CG1-CB 4.2Å; I411-Q671 PolarHBondContact N-O 3.01Å; N641-Q671 PolarHBondContact O-NE2 3.42Å; F644-Q671 PolarHBondContact O-NE2 3.18Å; L645-Q671 HydrophobicContact CD2-CB 3.94Å; L645-Q671 HydrophobicContact CD2-CG 3.78Å; G669-Q671 PolarHBondContact O-N 2.69Å
672	I	98.4	Very high	96	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	83.1	-170.8	-57.1	168.3	0	0	0	108	I411 A413 C443 I490 L618 A646 R647 V648	I411-I672 HydrophobicContact CB-CG1 4.11Å; I411-I672 HydrophobicContact CD1-CD1 4.44Å; I411-I672 HydrophobicContact CD1-CG1 3.98Å; I411-I672 HydrophobicContact CG1-CG1 4.45Å; A413-I672 HydrophobicContact CB-CG2 3.58Å; C443-I672 HydrophobicContact CB-CG2 3.98Å; C443-I672 VanDerWaalsContact SG-CG2 3.57Å; I490-I672 HydrophobicContact CD1-CD1 3.75Å; L618-I672 HydrophobicContact CD1-CD1 3.92Å; A646-I672 PolarHBondContact O-N 3.49Å; A646-I672 VanDerWaalsContact O-N 3.16Å; R647-I672 CarbonylContact C-O 3.57Å; R647-I672 VanDerWaalsContact CA-O 3.28Å; R647-I672 WeakPolarHBondContact CA-O 3.12Å; R647-I672 HydrophobicContact CB-CB 4.19Å; R647-I672 HydrophobicContact CB-CG2 4.2Å; R647-I672 HydrophobicContact CG-CB 4.29Å; R647-I672 HydrophobicContact CG-CG2 3.81Å; V648-I672 PolarHBondContact N-O 3.37Å
673	V	98.4	Very high	96	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	98.9	179.2	-178.7	0	0	0	0	107.6	M660 P662 F665 W666 C670 M675	M660-V673 HydrophobicContact CE-CG1 3.8Å; P662-V673 HydrophobicContact CB-CG1 3.81Å; F665-V673 HydrophobicContact CB-CG1 4.35Å; F665-V673 HydrophobicContact CB-CG2 3.81Å; F665-V673 HydrophobicContact CD2-CG1 4.14Å; W666-V673 VanDerWaalsContact CD1-CG2 3.49Å; C670-V673 HydrophobicContact CB-CG2 4.04Å; V673-M675 HydrophobicContact CG1-SD 4.37Å
674	A	97.8	Very high	96.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.9	-165.6	0	0	0	0	0	112.5	A413 H415 V648 M660	A413-A674 HydrophobicContact CB-CB 4.2Å; H415-A674 HydrophobicContact CB-CB 3.94Å; V648-A674 WeakPolarHBondContact O-CB 3.28Å; V648-A674 PolarHBondContact O-N 3.37Å; M660-A674 WeakPolarHBondContact CE-O 3.19Å
675	M	97.3	Very high	96.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.8	-172.1	-54.4	-62	-77.6	0	0	112.1	A413 S414 H415 N659 P662 V673 Y677 M683 N687	A413-M675 PolarHBondContact O-N 3.34Å; S414-M675 CarbonylContact C-O 3.19Å; S414-M675 WeakPolarHBondContact CA-O 3.46Å; H415-M675 PolarHBondContact N-O 2.83Å; N659-M675 HydrophobicContact CB-CE 3.83Å; N659-M675 WeakPolarHBondContact OD1-CA 3.3Å; P662-M675 HydrophobicContact CB-CE 4.3Å; P662-M675 HydrophobicContact CB-SD 4.15Å; P662-M675 HydrophobicContact CG-CE 4.11Å; V673-M675 HydrophobicContact CG1-SD 4.37Å; M675-Y677 HydrophobicContact CB-CD2 4.3Å; M675-Y677 HydrophobicContact CB-CE2 4.43Å; M675-Y677 WeakPolarHBondContact O-CD2 3.38Å; M675-Y677 PolarHBondContact O-N 3.43Å; M675-Y677 VanDerWaalsContact O-N 3.13Å; M675-M683 HydrophobicContact CE-CB 3.91Å; M675-M683 WeakPolarHBondContact CE-O 3.04Å; M675-N687 HydrophobicContact CG-CB 4.29Å
676	N	97	Very high	96.3	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	99.4	167.3	-70.2	-40.1	0	0	0	108.6	H415 Q423 S657 S658 N659 Q678 T679	H415-N676 PolarHBondContact ND1-OD1 3.27Å; Q423-N676 PolarHBondContact NE2-OD1 2.84Å; S657-N676 VanDerWaalsContact O-CB 3.22Å; S657-N676 WeakPolarHBondContact O-CB 3.27Å; S657-N676 PolarHBondContact O-ND2 2.77Å; S657-N676 VanDerWaalsContact O-ND2 3.13Å; S658-N676 PolarHBondContact O-ND2 3.33Å; N659-N676 PolarHBondContact ND2-O 3.16Å; N659-N676 PolarHBondContact OD1-N 3.41Å; N676-Q678 VanDerWaalsContact C-N 3.28Å; N676-Q678 PolarHBondContact O-N 2.88Å; N676-T679 PolarHBondContact O-N 3.49Å
677	Y	95.9	Very high	96.4	Very high	10 Å²	10	13.1 Å²	13.1	4%	0.039	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.9	-170.5	-105.4	-119.8	0	0	0	114.5	N412 R435 A436 M439 C441 M675 M684	N412-Y677 PolarHBondContact ND2-OH 2.89Å; N412-Y677 PolarHBondContact OD1-OH 3.2Å; R435-Y677 VanDerWaalsContact CZ-O 3.29Å; R435-Y677 PolarHBondContact NH1-O 3.3Å; R435-Y677 PolarHBondContact NH2-O 3.08Å; A436-Y677 HydrophobicContact CB-CD1 3.83Å; A436-Y677 HydrophobicContact CB-CE1 3.95Å; A436-Y677 HydrophobicContact CB-CG 4.43Å; M439-Y677 HydrophobicContact CB-CE1 4.07Å; M439-Y677 HydrophobicContact CE-CD1 4.41Å; M439-Y677 HydrophobicContact CE-CE1 4.19Å; M439-Y677 HydrophobicContact SD-CD1 4.34Å; M439-Y677 HydrophobicContact SD-CE1 4.33Å; C441-Y677 HydrophobicContact CB-CE1 4.2Å; C441-Y677 WeakPolarHBondContact CB-OH 3.3Å; M675-Y677 HydrophobicContact CB-CD2 4.3Å; M675-Y677 HydrophobicContact CB-CE2 4.43Å; M675-Y677 WeakPolarHBondContact O-CD2 3.38Å; M675-Y677 PolarHBondContact O-N 3.43Å; M675-Y677 VanDerWaalsContact O-N 3.13Å; Y677-M684 HydrophobicContact CD1-CE 3.64Å; Y677-M684 HydrophobicContact CD2-CE 3.77Å; Y677-M684 HydrophobicContact CD2-SD 4.47Å; Y677-M684 HydrophobicContact CE1-CE 3.85Å; Y677-M684 HydrophobicContact CE2-CE 3.98Å; Y677-M684 HydrophobicContact CG-CE 3.6Å
678	Q	93.6	Very high	96.5	Very high	22 Å²	22	13.6 Å²	13.6	10%	0.103	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-34.5	175.5	68.1	-82.4	44.1	0	0	112.2	I420 E421 S657 N676 P680	I420-Q678 VanDerWaalsContact O-CB 3.27Å; I420-Q678 WeakPolarHBondContact O-CB 3.29Å; E421-Q678 WeakPolarHBondContact O-CG 3.36Å; E421-Q678 PolarHBondContact O-NE2 3.03Å; S657-Q678 PolarHBondContact OG-NE2 3.5Å; N676-Q678 VanDerWaalsContact C-N 3.28Å; N676-Q678 PolarHBondContact O-N 2.88Å; Q678-P680 WeakPolarHBondContact O-CD 3.2Å
679	T	95.4	Very high	96.6	Very high	29 Å²	29	13.6 Å²	13.6	18%	0.178	8%	0.077	C	C	.	.			trans	-84.8	114.9	-168.1	-49.7	0	0	0	0	112.2	S657 N676 M684	S657-T679 WeakPolarHBondContact CB-OG1 3.43Å; S657-T679 VanDerWaalsContact O-CB 3.3Å; S657-T679 WeakPolarHBondContact O-CB 3.41Å; S657-T679 PolarHBondContact O-OG1 3.15Å; N676-T679 PolarHBondContact O-N 3.49Å; T679-M684 WeakPolarHBondContact O-CB 3.33Å
680	P	94.1	Very high	96.7	Very high	61 Å²	61	13.8 Å²	13.8	40%	0.396	8%	0.077	S	C	.	.			trans	-79.8	175	-178.5	34.6	-36.4	0	0	0	113.3	Q678 L837 T838	Q678-P680 WeakPolarHBondContact O-CD 3.2Å; P680-L837 HydrophobicContact CB-CG 4.21Å; P680-L837 WeakPolarHBondContact CB-O 3.5Å; P680-T838 HydrophobicContact CB-CG2 4.42Å
681	G	94	Very high	96.7	Very high	11 Å²	11	14 Å²	14	11%	0.113	8%	0.078	C	C	.	.	S	Bend	trans	99.8	-175.8	176.9	0	0	0	0	0	115.1	M683 M684 D685 L837	G681-M683 PolarHBondContact O-N 3.49Å; G681-M684 CarbonylContact O-C 3.59Å; G681-M684 WeakPolarHBondContact O-CA 3.35Å; G681-M684 PolarHBondContact O-N 2.91Å; G681-D685 PolarHBondContact O-N 2.99Å; G681-L837 PolarHBondContact N-O 3.45Å
682	L	95.9	Very high	96.5	Very high	57 Å²	57	15.7 Å²	15.7	30%	0.298	8%	0.084	S	C	.	.	H	α-helix	trans	-39.6	-53.9	-163	171	60.4	0	0	0	115.3	M684 D685 L686	L682-M684 PolarHBondContact O-N 2.89Å; L682-D685 WeakPolarHBondContact CA-OD2 3.34Å; L682-D685 PolarHBondContact N-OD2 2.85Å; L682-D685 WeakPolarHBondContact O-CA 3.32Å; L682-D685 VanDerWaalsContact O-CB 3.3Å; L682-D685 WeakPolarHBondContact O-CB 3.32Å; L682-D685 PolarHBondContact O-N 3.15Å; L682-D685 VanDerWaalsContact O-N 3.09Å; L682-L686 HydrophobicContact CD1-CD1 4.14Å; L682-L686 HydrophobicContact CD1-CD2 4.29Å; L682-L686 HydrophobicContact CD1-CG 3.95Å; L682-L686 WeakPolarHBondContact O-CG 3.43Å; L682-L686 PolarHBondContact O-N 3.01Å
683	M	96.9	Very high	96.3	Very high	54 Å²	54	16 Å²	16	27%	0.266	9%	0.086	S	C	.	.	H	α-helix	trans	-66.5	-29.6	-174.4	-51	-48.6	170.2	0	0	112.6	N659 M660 N661 M675 G681 N687	N659-M683 HydrophobicContact CB-CB 3.61Å; N659-M683 HydrophobicContact CB-CG 4.18Å; M660-M683 WeakPolarHBondContact O-CB 3.31Å; N661-M683 HydrophobicContact CB-CE 4.31Å; N661-M683 HydrophobicContact CB-SD 3.89Å; M675-M683 HydrophobicContact CE-CB 3.91Å; M675-M683 WeakPolarHBondContact CE-O 3.04Å; G681-M683 PolarHBondContact O-N 3.49Å; M683-N687 PolarHBondContact O-N 2.86Å
684	M	96.9	Very high	96.2	Very high	4 Å²	4	16 Å²	16	2%	0.02	9%	0.086	C	C	.	.	H	α-helix	trans	-83.4	-30.8	172.9	-166.4	58.9	176	0	0	111.7	M439 Y677 T679 G681 L682 L686 N687 I688	M439-M684 HydrophobicContact CE-CE 3.75Å; Y677-M684 HydrophobicContact CD1-CE 3.64Å; Y677-M684 HydrophobicContact CD2-CE 3.77Å; Y677-M684 HydrophobicContact CD2-SD 4.47Å; Y677-M684 HydrophobicContact CE1-CE 3.85Å; Y677-M684 HydrophobicContact CE2-CE 3.98Å; Y677-M684 HydrophobicContact CG-CE 3.6Å; T679-M684 WeakPolarHBondContact O-CB 3.33Å; G681-M684 CarbonylContact O-C 3.59Å; G681-M684 WeakPolarHBondContact O-CA 3.35Å; G681-M684 PolarHBondContact O-N 2.91Å; L682-M684 PolarHBondContact O-N 2.89Å; M684-L686 VanDerWaalsContact C-N 3.31Å; M684-L686 PolarHBondContact O-N 3.37Å; M684-N687 PolarHBondContact O-N 2.79Å; M684-N687 HydrophobicContact SD-CB 4.13Å; M684-I688 HydrophobicContact CE-CD1 4.07Å; M684-I688 HydrophobicContact CE-CG1 3.98Å; M684-I688 HydrophobicContact CG-CD1 3.87Å; M684-I688 HydrophobicContact CG-CG1 4.23Å; M684-I688 WeakPolarHBondContact O-CB 3.5Å; M684-I688 VanDerWaalsContact O-CG1 3.23Å; M684-I688 WeakPolarHBondContact O-CG1 3.29Å; M684-I688 PolarHBondContact O-N 2.78Å; M684-I688 HydrophobicContact SD-CG1 4.32Å
685	D	97.4	Very high	96.1	Very high	2 Å²	2	17 Å²	17	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-57	-45.7	168	-62	-28.8	0	0	0	110.8	G681 L682 G689 R801 Q817	G681-D685 PolarHBondContact O-N 2.99Å; L682-D685 WeakPolarHBondContact CA-OD2 3.34Å; L682-D685 PolarHBondContact N-OD2 2.85Å; L682-D685 WeakPolarHBondContact O-CA 3.32Å; L682-D685 VanDerWaalsContact O-CB 3.3Å; L682-D685 WeakPolarHBondContact O-CB 3.32Å; L682-D685 PolarHBondContact O-N 3.15Å; L682-D685 VanDerWaalsContact O-N 3.09Å; D685-G689 WeakPolarHBondContact O-CA 3.39Å; D685-G689 PolarHBondContact O-N 2.59Å; D685-R801 IonicContact OD2-CZ 2.74Å; D685-R801 IonicContact OD2-NE 3.7Å; D685-R801 PolarHBondContact OD2-NE 2.8Å; D685-R801 IonicContact OD2-NH2 3.18Å; D685-R801 PolarHBondContact OD2-NH2 3.45Å; D685-Q817 VanDerWaalsContact CG-CD 3.44Å; D685-Q817 PolarHBondContact OD1-NE2 3.44Å
686	L	97.9	Very high	96.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-45.6	174.7	-65.3	-179.5	0	0	0	111.4	P662 L682 M684 G689 W690 H761 M799 T819	P662-L686 HydrophobicContact CG-CB 4.17Å; L682-L686 HydrophobicContact CD1-CD1 4.14Å; L682-L686 HydrophobicContact CD1-CD2 4.29Å; L682-L686 HydrophobicContact CD1-CG 3.95Å; L682-L686 WeakPolarHBondContact O-CG 3.43Å; L682-L686 PolarHBondContact O-N 3.01Å; M684-L686 VanDerWaalsContact C-N 3.31Å; M684-L686 PolarHBondContact O-N 3.37Å; L686-G689 PolarHBondContact O-N 2.87Å; L686-W690 VanDerWaalsContact O-CB 3.26Å; L686-W690 WeakPolarHBondContact O-CB 3.13Å; L686-W690 PolarHBondContact O-N 3.32Å; L686-H761 HydrophobicContact CD2-CB 3.96Å; L686-M799 HydrophobicContact CB-CE 4.3Å; L686-M799 HydrophobicContact CB-SD 4.44Å; L686-M799 HydrophobicContact CD2-CE 3.94Å; L686-M799 HydrophobicContact CD2-SD 4.04Å; L686-T819 HydrophobicContact CD2-CG2 4.08Å
687	N	97.9	Very high	96.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-48.2	178.4	-169	69.5	0	0	0	112.9	N412 M675 M683 M684 G689 W690 F691	N412-N687 PolarHBondContact OD1-ND2 2.85Å; M675-N687 HydrophobicContact CG-CB 4.29Å; M683-N687 PolarHBondContact O-N 2.86Å; M684-N687 PolarHBondContact O-N 2.79Å; M684-N687 HydrophobicContact SD-CB 4.13Å; N687-G689 VanDerWaalsContact C-N 3.34Å; N687-W690 PolarHBondContact O-N 2.95Å; N687-F691 WeakPolarHBondContact O-CD2 3.39Å; N687-F691 PolarHBondContact O-N 3.02Å; N687-F691 VanDerWaalsContact O-N 3.15Å; N687-F691 WeakPolarHBondContact OD1-CD2 3.02Å; N687-F691 WeakPolarHBondContact OD1-CE2 3.28Å
688	I	96.3	Very high	96.2	Very high	31 Å²	31	19.1 Å²	19.1	16%	0.159	11%	0.109	C	C	.	.	H	α-helix	trans	-68.7	-36.6	178.5	-56	165.6	0	0	0	110.1	M439 M684 R692	M439-I688 HydrophobicContact CE-CD1 3.55Å; M439-I688 HydrophobicContact CE-CG1 3.67Å; M684-I688 HydrophobicContact CE-CD1 4.07Å; M684-I688 HydrophobicContact CE-CG1 3.98Å; M684-I688 HydrophobicContact CG-CD1 3.87Å; M684-I688 HydrophobicContact CG-CG1 4.23Å; M684-I688 WeakPolarHBondContact O-CB 3.5Å; M684-I688 VanDerWaalsContact O-CG1 3.23Å; M684-I688 WeakPolarHBondContact O-CG1 3.29Å; M684-I688 PolarHBondContact O-N 2.78Å; M684-I688 HydrophobicContact SD-CG1 4.32Å; I688-R692 WeakPolarHBondContact O-CD 3.16Å; I688-R692 WeakPolarHBondContact O-CG 3.4Å; I688-R692 PolarHBondContact O-N 3.2Å; I688-R692 PolarHBondContact O-NE 3.06Å; I688-R692 VanDerWaalsContact O-NE 3.16Å
689	G	96.1	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-50.7	174.2	0	0	0	0	0	112.2	D685 L686 N687 F691 R692 P821	D685-G689 WeakPolarHBondContact O-CA 3.39Å; D685-G689 PolarHBondContact O-N 2.59Å; L686-G689 PolarHBondContact O-N 2.87Å; N687-G689 VanDerWaalsContact C-N 3.34Å; G689-F691 PolarHBondContact O-N 2.97Å; G689-R692 PolarHBondContact O-N 3.2Å; G689-P821 WeakPolarHBondContact O-CD 3.48Å; G689-P821 WeakPolarHBondContact O-CG 3.32Å
690	W	97.5	Very high	96.6	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-46.7	-179	-168.7	-115.9	0	0	0	112.8	Y410 W666 L686 N687 R692 Q693 V700 E796 M799 P821	Y410-W690 AromaticContact CD2-CE2 3.96Å; Y410-W690 AromaticContact CD2-CZ2 3.8Å; Y410-W690 HydrophobicContact CD2-CZ2 3.8Å; Y410-W690 AromaticContact CD2-NE1 3.49Å; Y410-W690 AromaticContact CE2-CZ2 3.79Å; Y410-W690 HydrophobicContact CE2-CZ2 3.79Å; Y410-W690 AromaticContact CG-NE1 3.94Å; W666-W690 HydrophobicContact CE3-CD2 4.43Å; W666-W690 HydrophobicContact CE3-CG 4.23Å; W666-W690 HydrophobicContact CH2-CB 3.58Å; W666-W690 AromaticContact CH2-CD1 3.69Å; W666-W690 AromaticContact CH2-CG 3.71Å; W666-W690 HydrophobicContact CH2-CG 3.71Å; W666-W690 HydrophobicContact CZ2-CB 4.47Å; W666-W690 AromaticContact CZ2-CD1 3.83Å; W666-W690 HydrophobicContact CZ2-CG 4.31Å; W666-W690 HydrophobicContact CZ3-CB 3.75Å; W666-W690 AromaticContact CZ3-CD1 3.87Å; W666-W690 HydrophobicContact CZ3-CD2 4.18Å; W666-W690 AromaticContact CZ3-CG 3.66Å; W666-W690 HydrophobicContact CZ3-CG 3.66Å; L686-W690 VanDerWaalsContact O-CB 3.26Å; L686-W690 WeakPolarHBondContact O-CB 3.13Å; L686-W690 PolarHBondContact O-N 3.32Å; N687-W690 PolarHBondContact O-N 2.95Å; W690-R692 PolarHBondContact O-N 2.98Å; W690-Q693 WeakPolarHBondContact O-CG 3.3Å; W690-Q693 PolarHBondContact O-NE2 2.81Å; W690-V700 HydrophobicContact CZ2-CG1 4.04Å; W690-E796 WeakPolarHBondContact CH2-O 3.25Å; W690-M799 HydrophobicContact CB-SD 4.05Å; W690-M799 HydrophobicContact CD2-SD 4.46Å; W690-M799 HydrophobicContact CE3-CE 4.2Å; W690-M799 HydrophobicContact CE3-CG 3.64Å; W690-M799 HydrophobicContact CE3-SD 3.76Å; W690-M799 HydrophobicContact CZ3-CG 4.01Å; W690-P821 HydrophobicContact CE3-CB 4.21Å; W690-P821 HydrophobicContact CE3-CG 4.21Å; W690-P821 HydrophobicContact CZ3-CB 4.17Å
691	F	97.8	Very high	96.7	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-86.3	0.1	-174.4	-72.4	-68.2	0	0	0	115.7	N412 W666 N687 G689 Q693 N696 V700	N412-F691 VanDerWaalsContact CA-CE2 3.49Å; N412-F691 VanDerWaalsContact CA-CZ 3.47Å; N412-F691 HydrophobicContact CB-CB 4.28Å; N412-F691 HydrophobicContact CB-CD1 3.7Å; N412-F691 HydrophobicContact CB-CD2 3.59Å; N412-F691 HydrophobicContact CB-CE1 3.85Å; N412-F691 HydrophobicContact CB-CE2 3.72Å; N412-F691 HydrophobicContact CB-CG 3.58Å; N412-F691 HydrophobicContact CB-CZ 3.86Å; N412-F691 VanDerWaalsContact CG-CD2 3.42Å; N412-F691 VanDerWaalsContact N-CZ 3.31Å; W666-F691 HydrophobicContact CH2-CE2 4.44Å; W666-F691 AromaticContact CZ2-CE2 3.75Å; W666-F691 HydrophobicContact CZ2-CE2 3.75Å; W666-F691 HydrophobicContact CZ2-CZ 4.35Å; N687-F691 WeakPolarHBondContact O-CD2 3.39Å; N687-F691 PolarHBondContact O-N 3.02Å; N687-F691 VanDerWaalsContact O-N 3.15Å; N687-F691 WeakPolarHBondContact OD1-CD2 3.02Å; N687-F691 WeakPolarHBondContact OD1-CE2 3.28Å; G689-F691 PolarHBondContact O-N 2.97Å; F691-Q693 PolarHBondContact O-N 2.88Å; F691-N696 WeakPolarHBondContact O-CA 3.36Å; F691-V700 HydrophobicContact CD1-CG2 3.72Å; F691-V700 HydrophobicContact CE1-CB 4.44Å; F691-V700 HydrophobicContact CE1-CG2 3.93Å
692	R	94.9	Very high	96.7	Very high	36 Å²	36	14.9 Å²	14.9	14%	0.136	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.9	168.2	-81.7	157.4	-156.1	-164.4	-2.5	113.2	F391 I688 G689 W690 N696 T819 Q835	F391-R692 HydrophobicContact CE2-CB 3.87Å; F391-R692 HydrophobicContact CZ-CB 4.1Å; I688-R692 WeakPolarHBondContact O-CD 3.16Å; I688-R692 WeakPolarHBondContact O-CG 3.4Å; I688-R692 PolarHBondContact O-N 3.2Å; I688-R692 PolarHBondContact O-NE 3.06Å; I688-R692 VanDerWaalsContact O-NE 3.16Å; G689-R692 PolarHBondContact O-N 3.2Å; W690-R692 PolarHBondContact O-N 2.98Å; R692-N696 PolarHBondContact O-N 2.9Å; R692-T819 PolarHBondContact NH1-O 3.07Å; R692-Q835 VanDerWaalsContact CZ-OE1 3.24Å; R692-Q835 VanDerWaalsContact NH2-NE2 3.16Å
693	Q	94.4	Very high	96.4	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.037	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	168.8	-178.2	78.4	-169.6	-70	0	0	112.1	W690 F691 G695 N696 V700 P821 C824	W690-Q693 WeakPolarHBondContact O-CG 3.3Å; W690-Q693 PolarHBondContact O-NE2 2.81Å; F691-Q693 PolarHBondContact O-N 2.88Å; Q693-G695 PolarHBondContact O-N 2.8Å; Q693-N696 PolarHBondContact O-N 2.7Å; Q693-V700 HydrophobicContact CG-CG1 4.12Å; Q693-V700 HydrophobicContact CG-CG2 3.61Å; Q693-P821 HydrophobicContact CB-CG 4.44Å; Q693-C824 WeakPolarHBondContact CB-SG 3.42Å
694	N	96.2	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	53.6	42.2	178.2	-164.4	38.4	0	0	0	112.4	H395 S397 V398 C399 Q400 M402 N696 S697 Y699	H395-N694 PolarHBondContact O-N 3.2Å; S397-N694 CarbonylContact O-C 3.54Å; V398-N694 WeakPolarHBondContact CA-OD1 3.01Å; C399-N694 PolarHBondContact N-OD1 2.95Å; Q400-N694 HydrophobicContact CG-CB 4.22Å; Q400-N694 PolarHBondContact N-OD1 2.87Å; M402-N694 PolarHBondContact SD-ND2 3.48Å; N694-N696 PolarHBondContact O-N 3.48Å; N694-S697 PolarHBondContact ND2-OG 3.48Å; N694-S697 VanDerWaalsContact O-CB 3.22Å; N694-S697 WeakPolarHBondContact O-CB 3.31Å; N694-S697 PolarHBondContact O-N 2.67Å; N694-S697 PolarHBondContact O-OG 2.72Å; N694-Y699 PolarHBondContact ND2-O 3.41Å
695	G	95.4	Very high	95.2	Very high	22 Å²	22	11.6 Å²	11.6	23%	0.227	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	72.4	23.9	175.5	0	0	0	0	0	115.6	H395 K396 S397 Q693 S697	H395-G695 PolarHBondContact O-N 3.18Å; K396-G695 WeakPolarHBondContact O-CA 3.18Å; S397-G695 VanDerWaalsContact C-CA 3.48Å; S397-G695 PolarHBondContact O-N 2.78Å; Q693-G695 PolarHBondContact O-N 2.8Å; G695-S697 PolarHBondContact O-N 2.84Å; G695-S697 VanDerWaalsContact O-N 3.13Å
696	N	96.4	Very high	94.7	Very high	52 Å²	52	11.5 Å²	11.5	28%	0.278	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	53.6	29.3	-171.9	-164.7	85.3	0	0	0	112.8	F691 R692 Q693 N694 G698	F691-N696 WeakPolarHBondContact O-CA 3.36Å; R692-N696 PolarHBondContact O-N 2.9Å; Q693-N696 PolarHBondContact O-N 2.7Å; N694-N696 PolarHBondContact O-N 3.48Å; N696-G698 PolarHBondContact O-N 2.75Å
697	S	97.4	Very high	94.3	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.014	7%	0.074	C	C	.	.			trans	-66.3	-15.9	-177.7	56.1	0	0	0	0	113.9	R442 S485 N694 G695 Y699	R442-S697 WeakPolarHBondContact CD-O 3.43Å; R442-S697 WeakPolarHBondContact CG-O 3.49Å; S485-S697 VanDerWaalsContact CB-O 3.32Å; S485-S697 WeakPolarHBondContact CB-O 3.18Å; S485-S697 PolarHBondContact OG-O 3.46Å; N694-S697 PolarHBondContact ND2-OG 3.48Å; N694-S697 VanDerWaalsContact O-CB 3.22Å; N694-S697 WeakPolarHBondContact O-CB 3.31Å; N694-S697 PolarHBondContact O-N 2.67Å; N694-S697 PolarHBondContact O-OG 2.72Å; G695-S697 PolarHBondContact O-N 2.84Å; G695-S697 VanDerWaalsContact O-N 3.13Å; S697-Y699 PolarHBondContact O-N 3.41Å; S697-Y699 PolarHBondContact OG-N 2.97Å; S697-Y699 PolarHBondContact OG-O 3.14Å
698	G	97.9	Very high	93.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	9%	0.089	C	C	.	.	S	Bend	trans	74.3	7.5	-173.1	0	0	0	0	0	114.5	N412 G440 N696	N412-G698 PolarHBondContact N-O 2.95Å; G440-G698 WeakPolarHBondContact O-CA 3.29Å; N696-G698 PolarHBondContact O-N 2.75Å
699	Y	98.6	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.7	174.1	-77.9	-83.6	0	0	0	109.5	M402 L406 Y409 Y410 I411 R442 F487 P488 P532 N694 S697	M402-Y699 HydrophobicContact CE-CG 4.38Å; L406-Y699 HydrophobicContact CD1-CD1 4.44Å; L406-Y699 HydrophobicContact CD1-CE1 3.53Å; Y409-Y699 HydrophobicContact CG-CD1 4.2Å; Y410-Y699 WeakPolarHBondContact O-CA 3.17Å; I411-Y699 HydrophobicContact CB-CE1 4.26Å; I411-Y699 HydrophobicContact CD1-CE1 3.74Å; I411-Y699 HydrophobicContact CG1-CD1 3.95Å; I411-Y699 HydrophobicContact CG1-CE1 3.57Å; I411-Y699 HydrophobicContact CG2-CE1 3.92Å; R442-Y699 HydrophobicContact CB-CD2 4.4Å; R442-Y699 HydrophobicContact CB-CE2 3.74Å; R442-Y699 HydrophobicContact CG-CD2 3.73Å; R442-Y699 HydrophobicContact CG-CE2 3.45Å; R442-Y699 VanDerWaalsContact CG-CE2 3.45Å; F487-Y699 HydrophobicContact CB-CD2 3.51Å; F487-Y699 HydrophobicContact CB-CE2 3.62Å; F487-Y699 HydrophobicContact CG-CD2 4.22Å; P488-Y699 HydrophobicContact CG-CE2 4.27Å; P488-Y699 PolarHBondContact O-OH 3.42Å; P488-Y699 VanDerWaalsContact O-OH 3.14Å; P532-Y699 HydrophobicContact CG-CD1 4.1Å; P532-Y699 HydrophobicContact CG-CE1 4.35Å; N694-Y699 PolarHBondContact ND2-O 3.41Å; S697-Y699 PolarHBondContact O-N 3.41Å; S697-Y699 PolarHBondContact OG-N 2.97Å; S697-Y699 PolarHBondContact OG-O 3.14Å
700	V	98.1	Very high	91.5	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.3	177.6	178.2	0	0	0	0	108.8	Y409 Y410 W690 F691 Q693 R702	Y409-V700 CarbonylContact C-O 3.5Å; Y409-V700 VanDerWaalsContact CA-O 3.25Å; Y409-V700 WeakPolarHBondContact CA-O 3.47Å; Y410-V700 HydrophobicContact CD2-CB 4.45Å; Y410-V700 HydrophobicContact CD2-CG1 4.39Å; Y410-V700 PolarHBondContact N-O 3.22Å; Y410-V700 PolarHBondContact O-N 3.15Å; W690-V700 HydrophobicContact CZ2-CG1 4.04Å; F691-V700 HydrophobicContact CD1-CG2 3.72Å; F691-V700 HydrophobicContact CE1-CB 4.44Å; F691-V700 HydrophobicContact CE1-CG2 3.93Å; Q693-V700 HydrophobicContact CG-CG1 4.12Å; Q693-V700 HydrophobicContact CG-CG2 3.61Å; V700-R702 PolarHBondContact O-N 3.12Å
701	L	96.3	Very high	90.6	Very high	30 Å²	30	22.9 Å²	22.9	16%	0.157	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.8	179.8	-176.8	64	0	0	0	110.2	Q400 D401 Q404 H408 Y409	Q400-L701 HydrophobicContact CB-CB 4.2Å; D401-L701 HydrophobicContact CB-CD2 4.32Å; Q404-L701 HydrophobicContact CB-CD1 4.13Å; Q404-L701 HydrophobicContact CG-CD1 3.76Å; H408-L701 HydrophobicContact CB-CD1 4.31Å; Y409-L701 HydrophobicContact CD1-CB 4.07Å; Y409-L701 HydrophobicContact CD1-CD1 4.18Å; Y409-L701 HydrophobicContact CE1-CB 3.89Å; Y409-L701 HydrophobicContact CE1-CD1 3.73Å; Y409-L701 HydrophobicContact CE1-CG 4.39Å; Y409-L701 HydrophobicContact CE2-CD1 4.39Å
702	R	94.4	Very high	89.6	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-71.9	156.8	179.8	-62.9	-162.4	-48.2	-133.2	-8.7	112.2	S407 H408 Y410 N641 G669 V700 M706 R707	S407-R702 PolarHBondContact O-NH1 2.91Å; S407-R702 PolarHBondContact O-NH2 3.15Å; S407-R702 VanDerWaalsContact O-NH2 3.15Å; H408-R702 WeakPolarHBondContact O-CB 3.46Å; H408-R702 VanDerWaalsContact O-CG 3.31Å; H408-R702 WeakPolarHBondContact O-CG 3.4Å; H408-R702 PolarHBondContact O-N 2.79Å; Y410-R702 HydrophobicContact CD1-CG 4.05Å; Y410-R702 HydrophobicContact CD2-CG 3.94Å; Y410-R702 HydrophobicContact CE1-CG 3.76Å; Y410-R702 HydrophobicContact CE2-CB 4.24Å; Y410-R702 HydrophobicContact CE2-CG 3.68Å; Y410-R702 HydrophobicContact CG-CG 4.12Å; N641-R702 VanDerWaalsContact O-CZ 3.25Å; N641-R702 PolarHBondContact O-NH1 2.9Å; N641-R702 PolarHBondContact O-NH2 3.02Å; G669-R702 PolarHBondContact O-NH1 3.29Å; V700-R702 PolarHBondContact O-N 3.12Å; R702-M706 HydrophobicContact CB-CB 4.47Å; R702-M706 PolarHBondContact NE-O 2.7Å; R702-M706 PolarHBondContact NH2-O 3.22Å; R702-R707 HydrophobicContact CB-CG 4.18Å; R702-R707 WeakPolarHBondContact O-CD 3.39Å; R702-R707 PolarHBondContact O-NE 3.01Å
703	P	89.9	Confident	89	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-50	144.1	173.8	-25.9	31.9	0	0	0	112.9	I705 M706 E796 L797	P703-I705 VanDerWaalsContact C-N 3.26Å; P703-I705 HydrophobicContact CB-CG2 4.34Å; P703-I705 PolarHBondContact O-N 3.25Å; P703-M706 HydrophobicContact CB-CG 4.3Å; P703-M706 HydrophobicContact CB-SD 4.26Å; P703-M706 HydrophobicContact CG-SD 3.88Å; P703-M706 WeakPolarHBondContact O-CA 3.39Å; P703-M706 WeakPolarHBondContact O-CB 3.28Å; P703-M706 PolarHBondContact O-N 2.91Å; P703-E796 WeakPolarHBondContact CA-OE2 3.42Å; P703-E796 HydrophobicContact CB-CB 3.93Å; P703-E796 HydrophobicContact CG-CB 3.7Å; P703-L797 HydrophobicContact CG-CB 4.4Å; P703-L797 HydrophobicContact CG-CD1 4.14Å; P703-L797 HydrophobicContact CG-CG 3.95Å
704	A	84.8	Confident	88.3	Confident	29 Å²	29	23.3 Å²	23.3	24%	0.24	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.5	-40.7	-175.3	0	0	0	0	0	112.9	M706 R707 E708	A704-M706 PolarHBondContact O-N 3.43Å; A704-R707 PolarHBondContact O-N 3.03Å; A704-E708 WeakPolarHBondContact O-CG 3.47Å; A704-E708 PolarHBondContact O-N 3.15Å
705	I	83.1	Confident	87.1	Confident	16 Å²	16	23.3 Å²	23.3	8%	0.082	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-60.7	-18.4	176.9	-156.2	176.9	0	0	0	113.5	P703 S711 F713 V721 T1038	P703-I705 VanDerWaalsContact C-N 3.26Å; P703-I705 HydrophobicContact CB-CG2 4.34Å; P703-I705 PolarHBondContact O-N 3.25Å; I705-S711 WeakPolarHBondContact O-CB 3.48Å; I705-S711 PolarHBondContact O-OG 3.29Å; I705-F713 HydrophobicContact CD1-CB 4.13Å; I705-F713 HydrophobicContact CD1-CD2 4.29Å; I705-F713 HydrophobicContact CG1-CB 4.12Å; I705-F713 HydrophobicContact CG2-CB 4.33Å; I705-F713 HydrophobicContact CG2-CD2 4.35Å; I705-F713 HydrophobicContact CG2-CG 4.28Å; I705-V721 HydrophobicContact CD1-CG1 3.63Å; I705-T1038 HydrophobicContact CD1-CG2 4.02Å; I705-T1038 HydrophobicContact CG1-CG2 4.28Å
706	M	87.8	Confident	86.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-102.5	9.4	178	-55.1	178.6	76.5	0	0	113.4	V638 K667 R702 P703 A704 F713 L797	V638-M706 HydrophobicContact CG1-CG 4.48Å; V638-M706 HydrophobicContact CG2-CE 4.32Å; K667-M706 WeakPolarHBondContact O-CE 3.23Å; R702-M706 HydrophobicContact CB-CB 4.47Å; R702-M706 PolarHBondContact NE-O 2.7Å; R702-M706 PolarHBondContact NH2-O 3.22Å; P703-M706 HydrophobicContact CB-CG 4.3Å; P703-M706 HydrophobicContact CB-SD 4.26Å; P703-M706 HydrophobicContact CG-SD 3.88Å; P703-M706 WeakPolarHBondContact O-CA 3.39Å; P703-M706 WeakPolarHBondContact O-CB 3.28Å; P703-M706 PolarHBondContact O-N 2.91Å; A704-M706 PolarHBondContact O-N 3.43Å; M706-F713 HydrophobicContact CE-CD1 4.3Å; M706-F713 HydrophobicContact CE-CE1 4.17Å; M706-F713 HydrophobicContact CG-CD1 3.97Å; M706-F713 HydrophobicContact CG-CE1 4.4Å; M706-F713 HydrophobicContact SD-CD1 4.29Å; M706-F713 HydrophobicContact SD-CE1 4.13Å; M706-L797 HydrophobicContact CE-CD1 4.25Å; M706-L797 HydrophobicContact SD-CD1 3.51Å; M706-L797 VanDerWaalsContact SD-CD1 3.51Å
707	R	88.4	Confident	85.1	Confident	44 Å²	44	24 Å²	24	17%	0.166	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-36.4	176.5	-64.8	-174	-72.9	117	-5.2	112.1	Q404 H408 R702 A704	Q404-R707 VanDerWaalsContact OE1-NH1 3.09Å; H408-R707 HydrophobicContact CB-CG 3.93Å; R702-R707 HydrophobicContact CB-CG 4.18Å; R702-R707 WeakPolarHBondContact O-CD 3.39Å; R702-R707 PolarHBondContact O-NE 3.01Å; A704-R707 PolarHBondContact O-N 3.03Å
708	E	83.2	Confident	83.6	Confident	65 Å²	65	32.6 Å²	32.6	30%	0.304	16%	0.16	S	C	.	.			trans	-64.6	138.5	-175.2	-72.3	174.9	-154.1	0	0	113.6	K642 A704 V710 S711 K1041	K642-E708 WeakPolarHBondContact CD-O 3.5Å; K642-E708 WeakPolarHBondContact CE-O 3.3Å; K642-E708 PolarHBondContact NZ-O 3.38Å; A704-E708 WeakPolarHBondContact O-CG 3.47Å; A704-E708 PolarHBondContact O-N 3.15Å; E708-V710 PolarHBondContact O-N 3.07Å; E708-S711 PolarHBondContact O-OG 2.92Å; E708-K1041 IonicContact OE1-NZ 3.04Å; E708-K1041 PolarHBondContact OE1-NZ 3.02Å; E708-K1041 IonicContact OE2-NZ 3.03Å; E708-K1041 PolarHBondContact OE2-NZ 3.28Å
709	Q	73.9	Confident	82	Confident	144 Å²	144	38.6 Å²	38.6	67%	0.673	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-46.6	-174.7	-169.5	175.6	4.7	0	0	111.9
710	V	75.3	Confident	80.5	Confident	21 Å²	21	42.3 Å²	42.3	13%	0.127	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	58.6	-179	-165.5	0	0	0	0	111	E708 M1006 F1033 T1034 I1037	E708-V710 PolarHBondContact O-N 3.07Å; V710-M1006 HydrophobicContact CB-SD 4.41Å; V710-M1006 HydrophobicContact CG1-SD 4.21Å; V710-M1006 HydrophobicContact CG2-CE 3.99Å; V710-M1006 HydrophobicContact CG2-SD 4.31Å; V710-F1033 HydrophobicContact CG1-CD1 4.24Å; V710-F1033 HydrophobicContact CG1-CE1 4Å; V710-T1034 HydrophobicContact CG1-CG2 4.09Å; V710-I1037 HydrophobicContact CB-CG2 4.39Å; V710-I1037 HydrophobicContact CG1-CB 4.02Å; V710-I1037 HydrophobicContact CG1-CG1 4.07Å; V710-I1037 HydrophobicContact CG1-CG2 3.91Å
711	S	78.4	Confident	79.2	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.219	C	C	.	.			trans	-123.3	142.6	172.2	69	0	0	0	0	111.9	K642 I705 E708 T1034 T1038	K642-S711 PolarHBondContact NZ-O 3.37Å; K642-S711 PolarHBondContact NZ-OG 3.28Å; I705-S711 WeakPolarHBondContact O-CB 3.48Å; I705-S711 PolarHBondContact O-OG 3.29Å; E708-S711 PolarHBondContact O-OG 2.92Å; S711-T1034 WeakPolarHBondContact O-CG2 3.4Å; S711-T1038 WeakPolarHBondContact CA-OG1 3.32Å
712	Y	77.6	Confident	77.9	Confident	34 Å²	34	41.9 Å²	41.9	13%	0.133	22%	0.217	C	C	.	.			trans	-108.7	119.6	173.7	-177	-79.2	0	0	0	109.7	E1031 W1035 T1038	Y712-E1031 HydrophobicContact CD2-CB 4.47Å; Y712-E1031 HydrophobicContact CE2-CB 4.19Å; Y712-E1031 HydrophobicContact CE2-CG 4.32Å; Y712-W1035 AromaticContact CD1-CE3 3.6Å; Y712-W1035 HydrophobicContact CD1-CE3 3.6Å; Y712-W1035 HydrophobicContact CD1-CZ3 4.1Å; Y712-W1035 AromaticContact CE1-CE3 3.94Å; Y712-W1035 HydrophobicContact CE1-CE3 3.94Å; Y712-W1035 HydrophobicContact CE1-CZ3 4.21Å; Y712-W1035 HydrophobicContact CG-CE3 4.27Å; Y712-T1038 PolarHBondContact N-OG1 2.9Å
713	F	81.4	Confident	76.4	Confident	5 Å²	5	42.8 Å²	42.8	2%	0.022	23%	0.228	C	C	.	.			trans	-135.5	150.5	169.1	179.1	-111.5	0	0	0	109.4	V638 I705 M706 V721 I763 L794	V638-F713 HydrophobicContact CG1-CB 4.38Å; V638-F713 HydrophobicContact CG1-CD1 4.16Å; V638-F713 HydrophobicContact CG2-CD1 4Å; I705-F713 HydrophobicContact CD1-CB 4.13Å; I705-F713 HydrophobicContact CD1-CD2 4.29Å; I705-F713 HydrophobicContact CG1-CB 4.12Å; I705-F713 HydrophobicContact CG2-CB 4.33Å; I705-F713 HydrophobicContact CG2-CD2 4.35Å; I705-F713 HydrophobicContact CG2-CG 4.28Å; M706-F713 HydrophobicContact CE-CD1 4.3Å; M706-F713 HydrophobicContact CE-CE1 4.17Å; M706-F713 HydrophobicContact CG-CD1 3.97Å; M706-F713 HydrophobicContact CG-CE1 4.4Å; M706-F713 HydrophobicContact SD-CD1 4.29Å; M706-F713 HydrophobicContact SD-CE1 4.13Å; F713-V721 HydrophobicContact CD2-CG1 4.11Å; F713-V721 HydrophobicContact CE2-CG1 4.27Å; F713-V721 HydrophobicContact CE2-CG2 4.09Å; F713-I763 HydrophobicContact CZ-CG2 4.1Å; F713-L794 HydrophobicContact CE2-CD2 3.9Å; F713-L794 HydrophobicContact CZ-CD2 3.76Å
714	S	80.2	Confident	75.5	Confident	17 Å²	17	44.1 Å²	44.1	12%	0.119	24%	0.236	C	C	.	.			trans	-140.1	124.5	173.8	175	0	0	0	0	109	N716 T717	S714-N716 PolarHBondContact O-N 2.93Å; S714-T717 WeakPolarHBondContact O-CB 3.16Å; S714-T717 PolarHBondContact O-N 2.74Å; S714-T717 PolarHBondContact O-OG1 3.43Å
715	A	70.9	Confident	74.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-23.6	-177.5	0	0	0	0	0	114.8	P634 K667 P764	P634-A715 HydrophobicContact CB-CB 4.04Å; K667-A715 HydrophobicContact CB-CB 4.16Å; K667-A715 HydrophobicContact CD-CB 4.12Å; K667-A715 HydrophobicContact CG-CB 3.79Å; K667-A715 WeakPolarHBondContact O-CB 3.39Å; A715-P764 WeakPolarHBondContact O-CD 3.26Å
716	N	77.6	Confident	74.6	Confident	58 Å²	58	45.1 Å²	45.1	31%	0.31	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	17.4	-174.7	-58.8	-29	0	0	0	112.8	A630 S714 K718	A630-N716 PolarHBondContact O-ND2 2.91Å; S714-N716 PolarHBondContact O-N 2.93Å; N716-K718 PolarHBondContact O-N 2.66Å
717	T	71.4	Confident	74.3	Confident	31 Å²	31	46.3 Å²	46.3	19%	0.19	25%	0.247	C	C	.	.			trans	-63.7	129.6	173.7	-56.7	0	0	0	0	110.5	S714	S714-T717 WeakPolarHBondContact O-CB 3.16Å; S714-T717 PolarHBondContact O-N 2.74Å; S714-T717 PolarHBondContact O-OG1 3.43Å
718	K	66.5	Low	74	Confident	181 Å²	181	44.7 Å²	44.7	79%	0.787	24%	0.242	S	C	*	.			trans	-101.8	-8.8	179.1	-61	-169.7	177.9	-171	0	114.2	N716	N716-K718 PolarHBondContact O-N 2.66Å
719	D	65.2	Low	74.3	Confident	127 Å²	127	41.6 Å²	41.6	68%	0.679	23%	0.227	S	C	*	.	S	Bend	trans	-103.2	179.7	179.4	-56.1	-65.4	0	0	0	110.7	V721	D719-V721 PolarHBondContact O-N 2.99Å
720	S	67.1	Low	75	Confident	78 Å²	78	36.6 Å²	36.6	55%	0.545	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-61.9	134.7	177.5	49.5	0	0	0	0	112.7
721	V	70.7	Confident	75.9	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.024	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-69.2	126.6	177.9	-179.4	0	0	0	0	109.9	I705 F713 D719 G723 V724 I763 L794	I705-V721 HydrophobicContact CD1-CG1 3.63Å; F713-V721 HydrophobicContact CD2-CG1 4.11Å; F713-V721 HydrophobicContact CE2-CG1 4.27Å; F713-V721 HydrophobicContact CE2-CG2 4.09Å; D719-V721 PolarHBondContact O-N 2.99Å; V721-G723 PolarHBondContact O-N 3.26Å; V721-G723 VanDerWaalsContact O-N 3.15Å; V721-V724 HydrophobicContact CB-CB 4.26Å; V721-V724 HydrophobicContact CB-CG2 4.35Å; V721-V724 HydrophobicContact CG1-CB 4.45Å; V721-V724 HydrophobicContact CG1-CG2 4.01Å; V721-V724 PolarHBondContact O-N 3.05Å; V721-I763 HydrophobicContact CG2-CD1 4.07Å; V721-L794 HydrophobicContact CG2-CB 4.4Å
722	P	67.6	Low	76.4	Confident	19 Å²	19	36.9 Å²	36.9	12%	0.123	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	119.4	177.7	-30	37.9	0	0	0	113	W1035 T1038 I1039	P722-W1035 HydrophobicContact CG-CE3 4.35Å; P722-W1035 HydrophobicContact CG-CH2 3.86Å; P722-W1035 HydrophobicContact CG-CZ2 4.42Å; P722-W1035 HydrophobicContact CG-CZ3 3.82Å; P722-T1038 HydrophobicContact CB-CG2 3.93Å; P722-I1039 HydrophobicContact CB-CD1 3.88Å; P722-I1039 HydrophobicContact CB-CG1 4.4Å; P722-I1039 HydrophobicContact CG-CD1 4.02Å
723	G	63.6	Low	77.2	Confident	22 Å²	22	35.3 Å²	35.3	23%	0.227	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-14.1	176.4	0	0	0	0	0	116.6	V721	V721-G723 PolarHBondContact O-N 3.26Å; V721-G723 VanDerWaalsContact O-N 3.15Å
724	V	71.3	Confident	77.6	Confident	29 Å²	29	35.5 Å²	35.5	18%	0.176	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-93.9	129.7	173	-175.1	0	0	0	0	108.4	V721 P726 N793 L794	V721-V724 HydrophobicContact CB-CB 4.26Å; V721-V724 HydrophobicContact CB-CG2 4.35Å; V721-V724 HydrophobicContact CG1-CB 4.45Å; V721-V724 HydrophobicContact CG1-CG2 4.01Å; V721-V724 PolarHBondContact O-N 3.05Å; V724-P726 WeakPolarHBondContact O-CD 3.4Å; V724-N793 WeakPolarHBondContact CG1-O 3.35Å; V724-L794 HydrophobicContact CB-CD1 4.46Å; V724-L794 HydrophobicContact CG1-CD1 4.24Å; V724-L794 HydrophobicContact CG2-CD1 3.81Å
725	S	70.3	Confident	78.2	Confident	39 Å²	39	34.7 Å²	34.7	27%	0.273	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-76.6	124.8	167.5	-178.2	0	0	0	0	108.2	Q727 N855	S725-Q727 PolarHBondContact O-N 3.3Å; S725-N855 PolarHBondContact OG-ND2 3.08Å
726	P	77.7	Confident	79.3	Confident	27 Å²	27	34.7 Å²	34.7	18%	0.175	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-55.2	139.4	163.3	-23.2	34.5	0	0	0	109.9	V724 Q791 I792	V724-P726 WeakPolarHBondContact O-CD 3.4Å; P726-Q791 HydrophobicContact CB-CG 4.22Å; P726-I792 CarbonylContact C-O 3.44Å; P726-I792 VanDerWaalsContact CA-O 3.26Å; P726-I792 WeakPolarHBondContact CA-O 3.5Å
727	Q	82.4	Confident	80	Confident	25 Å²	25	32.7 Å²	32.7	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	157.9	169.6	-59.4	-174.2	35.8	0	0	108.6	S725 Q791 I792 P795 F822 I853 T854	S725-Q727 PolarHBondContact O-N 3.3Å; Q727-Q791 CarbonylContact O-C 3.57Å; Q727-I792 PolarHBondContact N-O 3.34Å; Q727-I792 PolarHBondContact O-N 2.72Å; Q727-P795 HydrophobicContact CB-CG 4.36Å; Q727-P795 HydrophobicContact CG-CG 3.92Å; Q727-F822 HydrophobicContact CB-CZ 4.19Å; Q727-I853 HydrophobicContact CB-CG2 4.44Å; Q727-T854 WeakPolarHBondContact CA-OG1 3.31Å; Q727-T854 WeakPolarHBondContact CG-O 3.34Å; Q727-T854 PolarHBondContact OE1-O 3.25Å
728	L	82.4	Confident	80.9	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.1	168.4	-172.3	91	0	0	0	107.3	E789 F790 Q791 T854 P862	L728-E789 HydrophobicContact CD1-CB 4.38Å; L728-E789 HydrophobicContact CD2-CG 4.41Å; L728-F790 CarbonylContact C-O 3.57Å; L728-F790 VanDerWaalsContact CA-O 3.32Å; L728-F790 WeakPolarHBondContact CA-O 3.41Å; L728-Q791 HydrophobicContact CD1-CB 4.44Å; L728-T854 HydrophobicContact CB-CG2 3.63Å; L728-T854 HydrophobicContact CD2-CG2 4.44Å; L728-T854 PolarHBondContact N-OG1 3.05Å; L728-T854 PolarHBondContact O-N 3.27Å; L728-P862 HydrophobicContact CB-CB 4.21Å; L728-P862 HydrophobicContact CD1-CB 4.36Å
729	L	89.8	Confident	82.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.6	176.1	174.9	62.2	0	0	0	108.2	I731 I760 E789 F790 I792 V800 F822 L825 V851 I853	L729-I731 HydrophobicContact CD1-CD1 4.02Å; L729-I731 HydrophobicContact CD1-CG1 3.91Å; L729-I731 HydrophobicContact CD2-CD1 3.76Å; L729-I731 HydrophobicContact CD2-CG1 4.41Å; L729-I731 HydrophobicContact CG-CD1 3.88Å; L729-I731 HydrophobicContact CG-CG1 3.98Å; L729-I760 HydrophobicContact CD2-CD1 3.79Å; L729-E789 CarbonylContact O-C 3.52Å; L729-E789 WeakPolarHBondContact O-CA 3.35Å; L729-F790 HydrophobicContact CB-CB 4.36Å; L729-F790 HydrophobicContact CD2-CD2 4.35Å; L729-F790 PolarHBondContact N-O 3.39Å; L729-F790 PolarHBondContact O-N 3.02Å; L729-I792 HydrophobicContact CB-CG1 4.2Å; L729-V800 HydrophobicContact CD2-CG2 3.6Å; L729-F822 HydrophobicContact CB-CE2 4.16Å; L729-F822 HydrophobicContact CD1-CE2 4.28Å; L729-F822 HydrophobicContact CD2-CD2 4.39Å; L729-F822 HydrophobicContact CD2-CE2 4.28Å; L729-F822 HydrophobicContact CG-CE2 4.48Å; L729-L825 HydrophobicContact CD1-CD1 4.2Å; L729-V851 HydrophobicContact CD1-CG1 4.04Å; L729-I853 HydrophobicContact CD1-CD1 4.36Å; L729-I853 HydrophobicContact CD1-CG1 3.97Å
730	H	87.7	Confident	83.3	Confident	40 Å²	40	20.8 Å²	20.8	19%	0.185	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116	171.5	178.7	-66.5	0	0	0	108.9	F788 E789 A852	H730-F788 WeakPolarHBondContact CA-O 3.26Å; H730-E789 IonicContact CD2-OE1 3.12Å; H730-A852 HydrophobicContact CB-CB 4.42Å; H730-A852 PolarHBondContact N-O 3.03Å; H730-A852 PolarHBondContact O-N 3.18Å
731	I	93.2	Very high	84.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.6	177	-73.3	171.7	0	0	0	108.6	L729 I733 V758 S787 F788 V800 F802 H850	L729-I731 HydrophobicContact CD1-CD1 4.02Å; L729-I731 HydrophobicContact CD1-CG1 3.91Å; L729-I731 HydrophobicContact CD2-CD1 3.76Å; L729-I731 HydrophobicContact CD2-CG1 4.41Å; L729-I731 HydrophobicContact CG-CD1 3.88Å; L729-I731 HydrophobicContact CG-CG1 3.98Å; I731-I733 HydrophobicContact CG2-CD1 3.76Å; I731-I733 HydrophobicContact CG2-CG1 4.36Å; I731-V758 HydrophobicContact CD1-CG1 3.89Å; I731-V758 HydrophobicContact CG2-CG2 4.25Å; I731-S787 WeakPolarHBondContact O-CA 3.32Å; I731-F788 PolarHBondContact N-O 3.23Å; I731-F788 PolarHBondContact O-N 3.13Å; I731-V800 HydrophobicContact CD1-CG1 3.85Å; I731-F802 HydrophobicContact CD1-CE1 4.33Å; I731-F802 HydrophobicContact CD1-CZ 4.05Å; I731-F802 HydrophobicContact CG2-CE1 3.98Å; I731-H850 WeakPolarHBondContact CA-O 3.2Å
732	K	89.4	Confident	84.6	Confident	29 Å²	29	22 Å²	22	13%	0.126	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120	165.3	-172.8	172.2	-173.3	-178.8	0	109.8	D189 I734 D785 E786 S787 V849 H850	D189-K732 IonicContact OD1-NZ 3.17Å; D189-K732 PolarHBondContact OD1-NZ 3.15Å; K732-I734 HydrophobicContact CD-CG1 4.35Å; K732-I734 HydrophobicContact CG-CG1 4.08Å; K732-D785 WeakPolarHBondContact CE-OD1 3.48Å; K732-D785 IonicContact NZ-OD1 3.4Å; K732-D785 PolarHBondContact NZ-OD1 2.79Å; K732-D785 IonicContact NZ-OD2 2.78Å; K732-D785 PolarHBondContact NZ-OD2 2.8Å; K732-E786 CarbonylContact C-O 3.28Å; K732-E786 WeakPolarHBondContact CA-O 3.29Å; K732-S787 WeakPolarHBondContact CD-OG 3.35Å; K732-S787 WeakPolarHBondContact CG-OG 3.31Å; K732-V849 CarbonylContact O-C 3.54Å; K732-V849 WeakPolarHBondContact O-CA 3.34Å; K732-V849 WeakPolarHBondContact O-CB 3.44Å; K732-H850 HydrophobicContact CB-CB 4.29Å; K732-H850 PolarHBondContact N-O 2.91Å; K732-H850 PolarHBondContact O-N 3.31Å
733	I	95.1	Very high	84.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.5	168.7	-54.8	-58.5	0	0	0	107.1	I731 V756 V758 T772 F784 D785 E786 F788 F802 V849	I731-I733 HydrophobicContact CG2-CD1 3.76Å; I731-I733 HydrophobicContact CG2-CG1 4.36Å; I733-V756 HydrophobicContact CD1-CG1 4.3Å; I733-V756 HydrophobicContact CG1-CG1 4.41Å; I733-V756 HydrophobicContact CG2-CB 4.24Å; I733-V756 HydrophobicContact CG2-CG1 4.39Å; I733-V756 HydrophobicContact CG2-CG2 4.03Å; I733-V758 HydrophobicContact CD1-CG2 3.74Å; I733-V758 HydrophobicContact CG1-CG2 4.01Å; I733-T772 HydrophobicContact CB-CG2 4.05Å; I733-T772 HydrophobicContact CG1-CG2 4.24Å; I733-T772 HydrophobicContact CG2-CG2 4.08Å; I733-F784 HydrophobicContact CG2-CB 3.96Å; I733-F784 HydrophobicContact CG2-CD2 3.67Å; I733-F784 HydrophobicContact CG2-CE2 4.48Å; I733-F784 HydrophobicContact CG2-CG 3.98Å; I733-D785 WeakPolarHBondContact O-CA 3.32Å; I733-D785 PolarHBondContact O-N 2.92Å; I733-D785 VanDerWaalsContact O-N 3.07Å; I733-E786 PolarHBondContact N-O 2.99Å; I733-E786 PolarHBondContact O-N 3.25Å; I733-F788 HydrophobicContact CG1-CD2 4.31Å; I733-F788 HydrophobicContact CG1-CE2 3.84Å; I733-F802 HydrophobicContact CD1-CD1 3.91Å; I733-F802 HydrophobicContact CD1-CE1 3.84Å; I733-V849 HydrophobicContact CD1-CG1 3.7Å
734	I	88.9	Confident	84.6	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-59.8	-172.7	-53	169.2	0	0	0	109.6	E317 K732 F784 D785 F829 F848 H850	E317-I734 HydrophobicContact CB-CG2 3.84Å; E317-I734 HydrophobicContact CG-CG2 3.82Å; K732-I734 HydrophobicContact CD-CG1 4.35Å; K732-I734 HydrophobicContact CG-CG1 4.08Å; I734-F784 PolarHBondContact O-N 2.76Å; I734-D785 PolarHBondContact O-N 2.86Å; I734-D785 VanDerWaalsContact O-N 3.13Å; I734-F829 HydrophobicContact CD1-CD1 3.7Å; I734-F829 HydrophobicContact CD1-CE1 3.75Å; I734-F848 HydrophobicContact CB-CD1 3.88Å; I734-F848 HydrophobicContact CB-CE1 4.49Å; I734-F848 WeakPolarHBondContact CB-O 3.41Å; I734-F848 HydrophobicContact CD1-CD1 3.78Å; I734-F848 HydrophobicContact CD1-CE1 3.66Å; I734-F848 HydrophobicContact CD1-CG 4.48Å; I734-F848 HydrophobicContact CD1-CZ 4.29Å; I734-F848 HydrophobicContact CG1-CD1 4.42Å; I734-F848 HydrophobicContact CG2-CD1 3.96Å; I734-F848 HydrophobicContact CG2-CE1 4.32Å; I734-F848 PolarHBondContact N-O 3.26Å; I734-H850 HydrophobicContact CD1-CB 4.14Å
735	S	92.9	Very high	84	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.2	-178.1	54.2	0	0	0	0	113.1	R315 E317 Q737 P782 F848	R315-S735 PolarHBondContact NH2-OG 3.05Å; R315-S735 VanDerWaalsContact NH2-OG 3.08Å; E317-S735 WeakPolarHBondContact OE1-CB 3.27Å; E317-S735 PolarHBondContact OE1-OG 3.08Å; S735-Q737 PolarHBondContact O-NE2 3.22Å; S735-Q737 PolarHBondContact OG-NE2 3.47Å; S735-P782 CarbonylContact C-O 3.6Å; S735-P782 WeakPolarHBondContact CA-O 3.18Å; S735-P782 WeakPolarHBondContact CB-O 3.44Å; S735-F848 PolarHBondContact N-O 3.31Å; S735-F848 PolarHBondContact O-N 3.47Å
736	G	94	Very high	83.3	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	162	168.1	0	0	0	0	0	112.1	N781 P782 L846	G736-N781 WeakPolarHBondContact O-CA 3.47Å; G736-P782 PolarHBondContact N-O 3.23Å; G736-P782 WeakPolarHBondContact O-CD 3.39Å; G736-L846 CarbonylContact C-O 3.53Å; G736-L846 WeakPolarHBondContact CA-O 3.46Å
737	Q	92.2	Very high	82.2	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.3	176	-66.2	85.8	74.7	0	0	109.9	S735 F739 H831 T845 L846	S735-Q737 PolarHBondContact O-NE2 3.22Å; S735-Q737 PolarHBondContact OG-NE2 3.47Å; Q737-F739 PolarHBondContact O-N 3.44Å; Q737-H831 PolarHBondContact OE1-CD2 2.89Å; Q737-H831 PolarHBondContact OE1-NE2 2.66Å; Q737-T845 WeakPolarHBondContact O-CA 3.39Å; Q737-L846 HydrophobicContact CB-CB 4.29Å; Q737-L846 PolarHBondContact N-O 3.35Å; Q737-L846 PolarHBondContact O-N 3.09Å; Q737-L846 VanDerWaalsContact O-N 3.13Å
738	N	91.1	Very high	80.6	Confident	36 Å²	36	45.1 Å²	45.1	19%	0.193	26%	0.258	C	S	.	.			trans	52.3	46.2	165.9	-76.2	106.9	0	0	0	115	G276 D780 H844 T845	G276-N738 WeakPolarHBondContact CA-OD1 3.26Å; G276-N738 PolarHBondContact O-ND2 2.91Å; G276-N738 PolarHBondContact O-OD1 3.31Å; N738-D780 PolarHBondContact N-O 3.03Å; N738-H844 WeakPolarHBondContact CB-O 3.48Å; N738-T845 WeakPolarHBondContact O-CG2 3.41Å; N738-T845 PolarHBondContact O-OG1 2.87Å
739	F	92.9	Very high	79.4	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.022	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.9	125.6	173.8	-62.6	-19.9	0	0	0	111	Q737 V752 P754 G779 P782 F784 V804 I815 L834 T845 L847	Q737-F739 PolarHBondContact O-N 3.44Å; F739-V752 HydrophobicContact CB-CG2 4.49Å; F739-P754 HydrophobicContact CD2-CB 3.52Å; F739-P754 HydrophobicContact CD2-CG 3.75Å; F739-P754 HydrophobicContact CE2-CB 3.63Å; F739-P754 HydrophobicContact CE2-CG 3.94Å; F739-G779 WeakPolarHBondContact CB-O 3.24Å; F739-G779 PolarHBondContact N-O 3.43Å; F739-P782 HydrophobicContact CD2-CG 3.91Å; F739-P782 HydrophobicContact CE2-CG 3.48Å; F739-P782 VanDerWaalsContact CE2-CG 3.48Å; F739-P782 HydrophobicContact CZ-CG 4.2Å; F739-F784 HydrophobicContact CE2-CE2 4.3Å; F739-F784 HydrophobicContact CE2-CZ 4.09Å; F739-F784 HydrophobicContact CZ-CE2 4.34Å; F739-V804 HydrophobicContact CD2-CG1 3.95Å; F739-V804 HydrophobicContact CE1-CG1 4.25Å; F739-V804 HydrophobicContact CE1-CG2 4.34Å; F739-V804 HydrophobicContact CE2-CG1 3.62Å; F739-V804 HydrophobicContact CG-CG1 4.4Å; F739-V804 HydrophobicContact CZ-CG1 3.77Å; F739-V804 HydrophobicContact CZ-CG2 4.1Å; F739-I815 HydrophobicContact CB-CG2 3.97Å; F739-I815 HydrophobicContact CG-CG2 4.29Å; F739-L834 HydrophobicContact CD1-CD1 4.22Å; F739-L834 HydrophobicContact CE1-CD1 3.83Å; F739-T845 HydrophobicContact CD1-CG2 3.81Å; F739-L847 HydrophobicContact CE1-CD2 4.13Å; F739-L847 HydrophobicContact CZ-CD2 3.7Å
740	P	89.6	Confident	78.3	Confident	48 Å²	48	54.2 Å²	54.2	31%	0.312	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-72.7	152.2	172.4	31.1	-35.2	0	0	0	110.7	I815 L842	P740-I815 HydrophobicContact CG-CG2 4.23Å; P740-L842 HydrophobicContact CG-CD1 4.35Å
741	K	84.4	Confident	77.9	Confident	89 Å²	89	56 Å²	56	39%	0.387	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-67.2	135.8	163.3	-175.4	169.2	176.7	174.7	0	108.9	S745 G749 V752	K741-S745 WeakPolarHBondContact CE-O 3.45Å; K741-S745 WeakPolarHBondContact CE-OG 3.39Å; K741-S745 PolarHBondContact NZ-O 3.2Å; K741-G749 PolarHBondContact NZ-O 3.36Å; K741-V752 HydrophobicContact CB-CG1 4.15Å; K741-V752 HydrophobicContact CG-CG1 4.27Å
742	P	79.8	Confident	77.6	Confident	19 Å²	19	56.3 Å²	56.3	12%	0.123	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63.1	162.8	179.8	-21.9	33.4	0	0	0	113.5	G744 D806 E813 F814 I815	P742-G744 PolarHBondContact O-N 2.83Å; P742-G744 VanDerWaalsContact O-N 3.12Å; P742-D806 HydrophobicContact CG-CB 4.31Å; P742-E813 HydrophobicContact CB-CB 3.88Å; P742-E813 VanDerWaalsContact CB-OE2 3.28Å; P742-E813 WeakPolarHBondContact CB-OE2 2.98Å; P742-E813 HydrophobicContact CG-CB 3.65Å; P742-E813 WeakPolarHBondContact CG-OE2 3.13Å; P742-F814 WeakPolarHBondContact CB-O 3.49Å; P742-I815 HydrophobicContact CG-CG1 3.8Å
743	K	68.6	Low	77.7	Confident	218 Å²	218	56.3 Å²	56.3	95%	0.948	33%	0.331	S	S	*	.	S	Bend	trans	-86.6	72.9	-178.2	-66.7	-178.5	-178.1	174.6	0	111.3
744	G	62.1	Low	77.7	Confident	62 Å²	62	56.3 Å²	56.3	64%	0.639	33%	0.331	S	S	*	.			trans	177.3	-30.5	175.8	0	0	0	0	0	115.8	P742 G746	P742-G744 PolarHBondContact O-N 2.83Å; P742-G744 VanDerWaalsContact O-N 3.12Å; G744-G746 PolarHBondContact O-N 3.15Å
745	S	60.3	Low	78	Confident	18 Å²	18	56 Å²	56	13%	0.126	33%	0.33	C	S	.	.			trans	-65.2	84.8	-168.2	20.8	0	0	0	0	114.9	K741 A747 E813	K741-S745 WeakPolarHBondContact CE-O 3.45Å; K741-S745 WeakPolarHBondContact CE-OG 3.39Å; K741-S745 PolarHBondContact NZ-O 3.2Å; S745-A747 PolarHBondContact O-N 2.92Å; S745-E813 VanDerWaalsContact CA-OE1 3.3Å; S745-E813 WeakPolarHBondContact CA-OE1 3.31Å; S745-E813 VanDerWaalsContact CB-CD 3.46Å; S745-E813 WeakPolarHBondContact CB-OE1 3.44Å; S745-E813 WeakPolarHBondContact CB-OE2 3.36Å; S745-E813 PolarHBondContact N-OE1 3.43Å; S745-E813 VanDerWaalsContact N-OE1 3.12Å; S745-E813 PolarHBondContact OG-OE2 3.5Å
746	G	55.2	Low	78.2	Confident	82 Å²	82	56 Å²	56	85%	0.845	33%	0.329	S	S	*	.			trans	-74.5	0.8	165.7	0	0	0	0	0	114.3	G744	G744-G746 PolarHBondContact O-N 3.15Å
747	A	54.5	Low	78.4	Confident	42 Å²	42	58.6 Å²	58.6	35%	0.347	34%	0.339	S	S	.	.	S	Bend	trans	-70.6	160	171.7	0	0	0	0	0	112.1	S745 G749 D808	S745-A747 PolarHBondContact O-N 2.92Å; A747-G749 PolarHBondContact O-N 2.82Å; A747-D808 VanDerWaalsContact CB-OD2 3.31Å; A747-D808 WeakPolarHBondContact CB-OD2 3.26Å
748	K	48.3	Very low	78.7	Confident	224 Å²	224	57.9 Å²	57.9	97%	0.974	34%	0.336	S	S	*	.	S	Bend	trans	-82.8	38.5	-166.1	-66.9	179.1	175.4	174.2	0	114.6
749	G	57.4	Low	79	Confident	34 Å²	34	57.6 Å²	57.6	35%	0.351	33%	0.333	S	S	.	.			trans	-107.9	121.2	170.8	0	0	0	0	0	111.5	K741 A747	K741-G749 PolarHBondContact NZ-O 3.36Å; A747-G749 PolarHBondContact O-N 2.82Å
750	D	65.9	Low	79.2	Confident	167 Å²	167	57.6 Å²	57.6	89%	0.893	33%	0.333	S	S	*	.	S	Bend	trans	-83.9	-13.1	171.9	-77.1	-26.6	0	0	0	112.7
751	V	79.8	Confident	79.6	Confident	77 Å²	77	56.8 Å²	56.8	47%	0.467	33%	0.325	S	S	.	.	S	Bend	trans	-133.3	142	-177.6	-165.5	0	0	0	0	108.6	Q777	V751-Q777 VanDerWaalsContact CG1-C 3.45Å
752	V	87.1	Confident	80	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.036	31%	0.308	C	S	.	.			trans	-78.1	149.2	176.8	-58	0	0	0	0	111.6	F739 K741 P754 N778 D806 I815	F739-V752 HydrophobicContact CB-CG2 4.49Å; K741-V752 HydrophobicContact CB-CG1 4.15Å; K741-V752 HydrophobicContact CG-CG1 4.27Å; V752-P754 WeakPolarHBondContact O-CD 3.31Å; V752-N778 PolarHBondContact O-N 3.49Å; V752-N778 VanDerWaalsContact O-N 3.12Å; V752-D806 VanDerWaalsContact CA-OD1 3.31Å; V752-D806 WeakPolarHBondContact CA-OD1 3.3Å; V752-D806 WeakPolarHBondContact CB-OD1 3.35Å; V752-D806 WeakPolarHBondContact CB-OD2 3.29Å; V752-D806 WeakPolarHBondContact CG1-OD2 3.31Å; V752-I815 HydrophobicContact CB-CD1 4.41Å
753	D	91.4	Very high	80.5	Confident	30 Å²	30	51.9 Å²	51.9	16%	0.16	30%	0.303	C	S	.	.			trans	-111	73.4	175.3	-84.8	34.5	0	0	0	108.5	T774 H776 Q777 D806 D807	D753-T774 HydrophobicContact CB-CG2 3.92Å; D753-T774 WeakPolarHBondContact O-CG2 3.37Å; D753-H776 WeakPolarHBondContact OD2-CA 3.4Å; D753-H776 WeakPolarHBondContact OD2-CB 3.48Å; D753-H776 IonicContact OD2-CE1 3.95Å; D753-H776 IonicContact OD2-CG 2.6Å; D753-H776 IonicContact OD2-ND1 2.68Å; D753-H776 PolarHBondContact OD2-ND1 3.18Å; D753-Q777 WeakPolarHBondContact OD1-CA 3.4Å; D753-Q777 WeakPolarHBondContact OD1-CG 3.2Å; D753-Q777 PolarHBondContact OD1-N 3.39Å; D753-D806 PolarHBondContact N-OD1 2.88Å; D753-D807 HydrophobicContact CB-CB 4.35Å; D753-D807 WeakPolarHBondContact O-CB 3.27Å; D753-D807 PolarHBondContact O-N 3.28Å
754	P	94.3	Very high	81.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	151.7	-166.7	30.4	-39.5	0	0	0	114.1	F739 V752 V775 N778 P782 V804 L805 I815	F739-P754 HydrophobicContact CD2-CB 3.52Å; F739-P754 HydrophobicContact CD2-CG 3.75Å; F739-P754 HydrophobicContact CE2-CB 3.63Å; F739-P754 HydrophobicContact CE2-CG 3.94Å; V752-P754 WeakPolarHBondContact O-CD 3.31Å; P754-V775 VanDerWaalsContact CD-O 3.28Å; P754-V775 WeakPolarHBondContact CD-O 3.4Å; P754-V775 PolarHBondContact O-N 2.84Å; P754-N778 WeakPolarHBondContact CG-O 3.19Å; P754-P782 HydrophobicContact CG-CB 4.05Å; P754-P782 HydrophobicContact CG-CG 3.95Å; P754-V804 HydrophobicContact CB-CG1 4.24Å; P754-L805 VanDerWaalsContact CA-O 3.31Å; P754-L805 WeakPolarHBondContact CA-O 3.41Å; P754-I815 HydrophobicContact CB-CD1 4.25Å
755	Y	96	Very high	82.7	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	166	163.4	77.1	-89.7	0	0	0	111.8	Y757 R771 V804 L805 D807 D812	Y755-Y757 HydrophobicContact CD2-CD2 4.47Å; Y755-Y757 AromaticContact CE2-CD2 3.58Å; Y755-Y757 HydrophobicContact CE2-CD2 3.58Å; Y755-Y757 AromaticContact CE2-CE2 3.44Å; Y755-Y757 HydrophobicContact CE2-CE2 3.44Å; Y755-Y757 VanDerWaalsContact CE2-CE2 3.44Å; Y755-Y757 AromaticContact CZ-CE2 3.88Å; Y755-Y757 WeakPolarHBondContact OH-CE2 3.07Å; Y755-R771 HydrophobicContact CD2-CB 4.22Å; Y755-R771 HydrophobicContact CE2-CB 4.25Å; Y755-R771 PolarHBondContact OH-NH1 3.48Å; Y755-R771 VanDerWaalsContact OH-NH1 3.16Å; Y755-V804 WeakPolarHBondContact O-CA 3.36Å; Y755-L805 HydrophobicContact CD1-CB 4.27Å; Y755-L805 HydrophobicContact CE1-CB 3.78Å; Y755-L805 HydrophobicContact CE1-CD1 4.46Å; Y755-L805 HydrophobicContact CE2-CD1 4.31Å; Y755-L805 PolarHBondContact N-O 2.95Å; Y755-L805 PolarHBondContact O-N 3.24Å; Y755-L805 VanDerWaalsContact O-N 3.09Å; Y755-L805 WeakPolarHBondContact OH-CD1 3.3Å; Y755-D807 HydrophobicContact CD1-CB 4.15Å; Y755-D807 HydrophobicContact CE1-CB 4.38Å; Y755-D812 VanDerWaalsContact CE1-OD2 3.27Å; Y755-D812 WeakPolarHBondContact CE1-OD2 3.37Å; Y755-D812 VanDerWaalsContact CZ-OD2 3.28Å; Y755-D812 PolarHBondContact OH-OD2 2.87Å
756	V	98	Very high	84.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126	-173	-169.5	0	0	0	0	111.4	I733 R771 T772 F784 V803 V804 L847	I733-V756 HydrophobicContact CD1-CG1 4.3Å; I733-V756 HydrophobicContact CG1-CG1 4.41Å; I733-V756 HydrophobicContact CG2-CB 4.24Å; I733-V756 HydrophobicContact CG2-CG1 4.39Å; I733-V756 HydrophobicContact CG2-CG2 4.03Å; V756-R771 CarbonylContact O-C 3.52Å; V756-R771 VanDerWaalsContact O-CA 3.26Å; V756-R771 WeakPolarHBondContact O-CA 3.49Å; V756-T772 HydrophobicContact CB-CG2 3.98Å; V756-T772 PolarHBondContact N-OG1 3.13Å; V756-T772 PolarHBondContact O-N 3.14Å; V756-F784 HydrophobicContact CG2-CD1 4.45Å; V756-F784 HydrophobicContact CG2-CD2 4.08Å; V756-F784 HydrophobicContact CG2-CE1 4.04Å; V756-F784 HydrophobicContact CG2-CE2 3.61Å; V756-F784 HydrophobicContact CG2-CG 4.48Å; V756-F784 HydrophobicContact CG2-CZ 3.59Å; V756-V803 CarbonylContact C-O 3.32Å; V756-V803 VanDerWaalsContact CA-O 3.27Å; V756-V803 WeakPolarHBondContact CA-O 3.3Å; V756-V803 WeakPolarHBondContact CG1-O 3.35Å; V756-V804 HydrophobicContact CG1-CG2 4.39Å; V756-V804 HydrophobicContact CG2-CG2 4.13Å; V756-L847 HydrophobicContact CG1-CD1 3.93Å; V756-L847 HydrophobicContact CG2-CD2 3.89Å
757	Y	97.3	Very high	86	Confident	56 Å²	56	41.9 Å²	41.9	22%	0.22	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143.7	161.9	-87.7	-81	0	0	0	110.8	Y755 Q770 R771 F802 V803 L805	Y755-Y757 HydrophobicContact CD2-CD2 4.47Å; Y755-Y757 AromaticContact CE2-CD2 3.58Å; Y755-Y757 HydrophobicContact CE2-CD2 3.58Å; Y755-Y757 AromaticContact CE2-CE2 3.44Å; Y755-Y757 HydrophobicContact CE2-CE2 3.44Å; Y755-Y757 VanDerWaalsContact CE2-CE2 3.44Å; Y755-Y757 AromaticContact CZ-CE2 3.88Å; Y755-Y757 WeakPolarHBondContact OH-CE2 3.07Å; Y757-Q770 WeakPolarHBondContact CA-O 3.43Å; Y757-R771 HydrophobicContact CD1-CB 3.73Å; Y757-R771 HydrophobicContact CD2-CB 4.44Å; Y757-R771 HydrophobicContact CE1-CB 3.83Å; Y757-R771 HydrophobicContact CE1-CG 4.38Å; Y757-R771 HydrophobicContact CG-CB 4.05Å; Y757-F802 WeakPolarHBondContact O-CA 3.48Å; Y757-V803 PolarHBondContact N-O 3.05Å; Y757-V803 PolarHBondContact O-N 2.84Å; Y757-L805 HydrophobicContact CD2-CD1 3.86Å; Y757-L805 HydrophobicContact CE2-CD1 3.89Å
758	V	98.2	Very high	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	110.1	162.1	-177.5	0	0	0	0	107.4	I731 I733 Q770 F788 F790 V800 F802	I731-V758 HydrophobicContact CD1-CG1 3.89Å; I731-V758 HydrophobicContact CG2-CG2 4.25Å; I733-V758 HydrophobicContact CD1-CG2 3.74Å; I733-V758 HydrophobicContact CG1-CG2 4.01Å; V758-Q770 PolarHBondContact N-O 3.1Å; V758-Q770 PolarHBondContact O-N 3.5Å; V758-F788 HydrophobicContact CB-CD2 4.28Å; V758-F788 HydrophobicContact CG2-CD2 3.9Å; V758-F788 HydrophobicContact CG2-CE2 4.06Å; V758-F790 HydrophobicContact CB-CE2 4.29Å; V758-F790 HydrophobicContact CB-CZ 4Å; V758-F790 HydrophobicContact CG1-CE2 3.69Å; V758-F790 HydrophobicContact CG1-CZ 3.74Å; V758-V800 HydrophobicContact CG1-CG1 3.99Å; V758-F802 HydrophobicContact CG2-CD1 4.07Å; V758-F802 HydrophobicContact CG2-CE1 4.24Å
759	E	98	Very high	90.1	Very high	30 Å²	30	37.8 Å²	37.8	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.4	179.1	-57.1	166.6	-173.1	0	0	109.9	H761 V800 R801 V803	E759-H761 IonicContact OE2-CD2 3.24Å; E759-H761 IonicContact OE2-CE1 2.66Å; E759-H761 IonicContact OE2-NE2 3.25Å; E759-H761 PolarHBondContact OE2-NE2 2.96Å; E759-V800 WeakPolarHBondContact O-CA 3.22Å; E759-R801 HydrophobicContact CB-CB 4.22Å; E759-R801 PolarHBondContact N-O 2.96Å; E759-R801 PolarHBondContact O-N 2.99Å; E759-R801 IonicContact OE1-NH1 2.82Å; E759-R801 PolarHBondContact OE1-NH1 2.59Å; E759-R801 VanDerWaalsContact OE2-CD 3.31Å; E759-R801 WeakPolarHBondContact OE2-CD 3.21Å; E759-R801 IonicContact OE2-CZ 2.8Å; E759-R801 IonicContact OE2-NE 2.68Å; E759-R801 IonicContact OE2-NH1 2.77Å; E759-R801 PolarHBondContact OE2-NH1 3.23Å; E759-V803 WeakPolarHBondContact OE1-CG2 3.42Å
760	I	97.8	Very high	91.9	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	169.3	-48.8	-59.6	0	0	0	107.8	L729 D766 C767 A768 F790 I792 M799 V800	L729-I760 HydrophobicContact CD2-CD1 3.79Å; I760-D766 WeakPolarHBondContact CB-O 3.22Å; I760-D766 WeakPolarHBondContact CG2-O 3.45Å; I760-C767 WeakPolarHBondContact O-CA 3.47Å; I760-A768 HydrophobicContact CB-CB 4.46Å; I760-A768 HydrophobicContact CG1-CB 4.38Å; I760-A768 PolarHBondContact N-O 2.86Å; I760-A768 PolarHBondContact O-N 3.13Å; I760-F790 HydrophobicContact CD1-CB 4.26Å; I760-F790 HydrophobicContact CD1-CD1 4.06Å; I760-F790 HydrophobicContact CD1-CD2 4Å; I760-F790 HydrophobicContact CD1-CE1 4.32Å; I760-F790 HydrophobicContact CD1-CE2 4.29Å; I760-F790 HydrophobicContact CD1-CG 3.87Å; I760-F790 HydrophobicContact CD1-CZ 4.43Å; I760-F790 HydrophobicContact CG1-CB 4.04Å; I760-F790 HydrophobicContact CG1-CD1 3.4Å; I760-F790 HydrophobicContact CG1-CD2 4.27Å; I760-F790 HydrophobicContact CG1-CE1 3.76Å; I760-F790 HydrophobicContact CG1-CG 3.66Å; I760-F790 HydrophobicContact CG1-CZ 4.34Å; I760-I792 HydrophobicContact CD1-CD1 4.43Å; I760-I792 HydrophobicContact CG1-CD1 4.42Å; I760-I792 HydrophobicContact CG2-CD1 3.61Å; I760-M799 WeakPolarHBondContact CA-O 3.43Å; I760-V800 HydrophobicContact CD1-CB 4.48Å; I760-V800 HydrophobicContact CD1-CG1 4.3Å; I760-V800 HydrophobicContact CD1-CG2 3.83Å
761	H	96.8	Very high	93.3	Very high	31 Å²	31	37 Å²	37	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.5	175.8	-66.3	-93.6	0	0	0	108.4	L686 E759 A798 M799	L686-H761 HydrophobicContact CD2-CB 3.96Å; E759-H761 IonicContact OE2-CD2 3.24Å; E759-H761 IonicContact OE2-CE1 2.66Å; E759-H761 IonicContact OE2-NE2 3.25Å; E759-H761 PolarHBondContact OE2-NE2 2.96Å; H761-A798 CarbonylContact O-C 3.35Å; H761-A798 WeakPolarHBondContact O-CA 3.36Å; H761-M799 HydrophobicContact CB-CB 4.4Å; H761-M799 HydrophobicContact CB-CE 4.41Å; H761-M799 PolarHBondContact N-O 2.84Å; H761-M799 PolarHBondContact O-N 2.88Å
762	G	92.8	Very high	93.9	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-168.3	-144.7	-168.8	0	0	0	0	0	113.6	Q663 C767	Q663-G762 WeakPolarHBondContact CG-O 3.46Å; Q663-G762 VanDerWaalsContact NE2-CA 3.3Å; Q663-G762 PolarHBondContact NE2-O 2.9Å; G762-C767 PolarHBondContact N-SG 2.73Å
763	I	89.9	Confident	94.1	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	20%	0.204	C	C	.	.	S	Bend	trans	-74	159.8	162.5	58.4	167.1	0	0	0	109.7	F713 V721 A765 D766 C767 N793 L794 L797	F713-I763 HydrophobicContact CZ-CG2 4.1Å; V721-I763 HydrophobicContact CG2-CD1 4.07Å; I763-A765 HydrophobicContact CD1-CB 4.14Å; I763-A765 HydrophobicContact CG1-CB 4.36Å; I763-A765 PolarHBondContact O-N 3.35Å; I763-D766 HydrophobicContact CG1-CB 4.05Å; I763-D766 PolarHBondContact O-N 2.89Å; I763-C767 PolarHBondContact O-N 3.37Å; I763-C767 PolarHBondContact O-SG 2.74Å; I763-C767 VanDerWaalsContact O-SG 3.36Å; I763-N793 HydrophobicContact CD1-CB 4.41Å; I763-L794 HydrophobicContact CD1-CB 3.79Å; I763-L794 HydrophobicContact CG1-CB 4.2Å; I763-L794 HydrophobicContact CG2-CB 4.46Å; I763-L794 HydrophobicContact CG2-CD2 3.91Å; I763-L797 HydrophobicContact CG2-CD1 4.46Å
764	P	89.8	Confident	94.1	Very high	63 Å²	63	39.7 Å²	39.7	41%	0.409	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.8	-177.7	-25.3	35.9	0	0	0	115.9	A715	A715-P764 WeakPolarHBondContact O-CD 3.26Å
765	A	87.7	Confident	93.8	Very high	32 Å²	32	41 Å²	41	26%	0.264	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.5	172.5	0	0	0	0	0	113.9	I763 N793	I763-A765 HydrophobicContact CD1-CB 4.14Å; I763-A765 HydrophobicContact CG1-CB 4.36Å; I763-A765 PolarHBondContact O-N 3.35Å; A765-N793 PolarHBondContact O-ND2 3.09Å; A765-N793 VanDerWaalsContact O-ND2 3.16Å
766	D	91.1	Very high	93.4	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-24.2	-175.5	-65.7	11.9	0	0	0	111.6	I760 I763 A768 I792 N793 L794	I760-D766 WeakPolarHBondContact CB-O 3.22Å; I760-D766 WeakPolarHBondContact CG2-O 3.45Å; I763-D766 HydrophobicContact CG1-CB 4.05Å; I763-D766 PolarHBondContact O-N 2.89Å; D766-A768 PolarHBondContact O-N 2.98Å; D766-I792 WeakPolarHBondContact OD2-CG2 3.12Å; D766-N793 WeakPolarHBondContact OD1-CA 3.43Å; D766-N793 WeakPolarHBondContact OD1-CB 3.25Å; D766-N793 PolarHBondContact OD1-N 3.12Å; D766-N793 PolarHBondContact OD1-ND2 3.04Å; D766-N793 PolarHBondContact OD2-N 3.31Å; D766-L794 PolarHBondContact OD2-N 2.91Å
767	C	93.3	Very high	92.7	Very high	71 Å²	71	54.4 Å²	54.4	48%	0.48	28%	0.275	S	S	.	.			trans	-60.8	123.2	-179.7	-63.9	0	0	0	0	112.1	I760 G762 I763	I760-C767 WeakPolarHBondContact O-CA 3.47Å; G762-C767 PolarHBondContact N-SG 2.73Å; I763-C767 PolarHBondContact O-N 3.37Å; I763-C767 PolarHBondContact O-SG 2.74Å; I763-C767 VanDerWaalsContact O-SG 3.36Å
768	A	94.4	Very high	92.1	Very high	43 Å²	43	53.7 Å²	53.7	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	153.9	-176.8	0	0	0	0	0	111.2	I760 D766 F790	I760-A768 HydrophobicContact CB-CB 4.46Å; I760-A768 HydrophobicContact CG1-CB 4.38Å; I760-A768 PolarHBondContact N-O 2.86Å; I760-A768 PolarHBondContact O-N 3.13Å; D766-A768 PolarHBondContact O-N 2.98Å; A768-F790 HydrophobicContact CB-CD1 3.8Å; A768-F790 HydrophobicContact CB-CE1 4.12Å
769	E	95.5	Very high	91.4	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	141	174.8	57.5	176.1	-117	0	0	110.3
770	Q	95.1	Very high	90.8	Very high	69 Å²	69	54.3 Å²	54.3	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.4	170.1	-65.7	-177.8	75.3	0	0	109	Y757 V758 F788 E789 F790	Y757-Q770 WeakPolarHBondContact CA-O 3.43Å; V758-Q770 PolarHBondContact N-O 3.1Å; V758-Q770 PolarHBondContact O-N 3.5Å; Q770-F788 HydrophobicContact CB-CB 4.43Å; Q770-F788 HydrophobicContact CB-CD1 3.64Å; Q770-F788 HydrophobicContact CB-CE1 3.99Å; Q770-F788 HydrophobicContact CB-CG 3.95Å; Q770-F788 HydrophobicContact CG-CD1 4.34Å; Q770-E789 PolarHBondContact NE2-O 2.83Å; Q770-F790 HydrophobicContact CB-CE1 4.26Å; Q770-F790 HydrophobicContact CB-CZ 4Å; Q770-F790 HydrophobicContact CG-CE1 3.86Å; Q770-F790 HydrophobicContact CG-CZ 4.04Å
771	R	94.6	Very high	90.1	Very high	116 Å²	116	57.8 Å²	57.8	44%	0.438	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.5	178.1	75.5	172.6	-165.4	157.7	7.7	113.2	Y755 V756 Y757 F788	Y755-R771 HydrophobicContact CD2-CB 4.22Å; Y755-R771 HydrophobicContact CE2-CB 4.25Å; Y755-R771 PolarHBondContact OH-NH1 3.48Å; Y755-R771 VanDerWaalsContact OH-NH1 3.16Å; V756-R771 CarbonylContact O-C 3.52Å; V756-R771 VanDerWaalsContact O-CA 3.26Å; V756-R771 WeakPolarHBondContact O-CA 3.49Å; Y757-R771 HydrophobicContact CD1-CB 3.73Å; Y757-R771 HydrophobicContact CD2-CB 4.44Å; Y757-R771 HydrophobicContact CE1-CB 3.83Å; Y757-R771 HydrophobicContact CE1-CG 4.38Å; Y757-R771 HydrophobicContact CG-CB 4.05Å; R771-F788 VanDerWaalsContact C-CZ 3.5Å
772	T	93.9	Very high	89.8	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.025	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71.8	169	167.7	69.8	0	0	0	0	110.7	I733 V756 F784 E786 F788	I733-T772 HydrophobicContact CB-CG2 4.05Å; I733-T772 HydrophobicContact CG1-CG2 4.24Å; I733-T772 HydrophobicContact CG2-CG2 4.08Å; V756-T772 HydrophobicContact CB-CG2 3.98Å; V756-T772 PolarHBondContact N-OG1 3.13Å; V756-T772 PolarHBondContact O-N 3.14Å; T772-F784 HydrophobicContact CG2-CB 4.09Å; T772-F784 HydrophobicContact CG2-CD1 4.16Å; T772-F784 HydrophobicContact CG2-CG 4.22Å; T772-F784 WeakPolarHBondContact OG1-CD1 3.45Å; T772-E786 WeakPolarHBondContact CA-OE1 3.15Å; T772-E786 HydrophobicContact CG2-CB 4.41Å; T772-F788 HydrophobicContact CG2-CE2 4.06Å; T772-F788 HydrophobicContact CG2-CZ 3.88Å
773	K	89.7	Confident	89.4	Confident	138 Å²	138	59.3 Å²	59.3	60%	0.6	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-68.3	158.8	159.4	-61	175.6	-155.5	72.3	0	110.8	E786	K773-E786 WeakPolarHBondContact CG-OE1 3.38Å; K773-E786 PolarHBondContact N-OE1 3.09Å; K773-E786 IonicContact NZ-OE1 3.86Å; K773-E786 PolarHBondContact NZ-OE1 2.93Å; K773-E786 IonicContact NZ-OE2 2.71Å; K773-E786 PolarHBondContact NZ-OE2 3.08Å
774	T	91.9	Very high	89.3	Confident	27 Å²	27	60.1 Å²	60.1	17%	0.166	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-68.2	135	169.1	-41.6	0	0	0	0	111.5	D753 D807	D753-T774 HydrophobicContact CB-CG2 3.92Å; D753-T774 WeakPolarHBondContact O-CG2 3.37Å; T774-D807 WeakPolarHBondContact CB-OD2 3.48Å; T774-D807 HydrophobicContact CG2-CB 3.47Å; T774-D807 VanDerWaalsContact CG2-CB 3.47Å; T774-D807 WeakPolarHBondContact CG2-OD2 3.4Å; T774-D807 PolarHBondContact OG1-OD2 2.78Å
775	V	87.8	Confident	88.9	Confident	28 Å²	28	58.9 Å²	58.9	17%	0.17	30%	0.3	C	S	.	.			trans	-105.2	96	172	-177.7	0	0	0	0	108.8	P754 Q777 N778 P782 L783 F784	P754-V775 VanDerWaalsContact CD-O 3.28Å; P754-V775 WeakPolarHBondContact CD-O 3.4Å; P754-V775 PolarHBondContact O-N 2.84Å; V775-Q777 PolarHBondContact O-N 3.33Å; V775-N778 HydrophobicContact CG1-CB 4.21Å; V775-P782 HydrophobicContact CB-CB 3.9Å; V775-P782 HydrophobicContact CG1-CB 3.74Å; V775-P782 HydrophobicContact CG2-CB 4.17Å; V775-L783 VanDerWaalsContact CG2-O 3.24Å; V775-L783 WeakPolarHBondContact CG2-O 3.48Å; V775-F784 HydrophobicContact CB-CE1 4.22Å; V775-F784 HydrophobicContact CG2-CD1 3.47Å; V775-F784 VanDerWaalsContact CG2-CD1 3.47Å; V775-F784 HydrophobicContact CG2-CE1 3.42Å; V775-F784 VanDerWaalsContact CG2-CE1 3.42Å; V775-F784 HydrophobicContact CG2-CG 4.35Å; V775-F784 HydrophobicContact CG2-CZ 4.29Å
776	H	87.4	Confident	88.6	Confident	133 Å²	133	59.3 Å²	59.3	62%	0.616	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	133.2	-173.9	-59	-61.4	0	0	0	113.6	D753 N778	D753-H776 WeakPolarHBondContact OD2-CA 3.4Å; D753-H776 WeakPolarHBondContact OD2-CB 3.48Å; D753-H776 IonicContact OD2-CE1 3.95Å; D753-H776 IonicContact OD2-CG 2.6Å; D753-H776 IonicContact OD2-ND1 2.68Å; D753-H776 PolarHBondContact OD2-ND1 3.18Å; H776-N778 PolarHBondContact O-N 3.03Å
777	Q	84.4	Confident	88.2	Confident	152 Å²	152	61.3 Å²	61.3	71%	0.71	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	41.9	169.3	-57	-177.4	-5.7	0	0	114.8	V751 D753 V775	V751-Q777 VanDerWaalsContact CG1-C 3.45Å; D753-Q777 WeakPolarHBondContact OD1-CA 3.4Å; D753-Q777 WeakPolarHBondContact OD1-CG 3.2Å; D753-Q777 PolarHBondContact OD1-N 3.39Å; V775-Q777 PolarHBondContact O-N 3.33Å
778	N	83.4	Confident	87.9	Confident	41 Å²	41	58.5 Å²	58.5	22%	0.219	29%	0.291	C	S	.	.			trans	-151.4	82.8	-179.9	-176.3	8.2	0	0	0	113.5	V752 P754 V775 H776 N781 P782	V752-N778 PolarHBondContact O-N 3.49Å; V752-N778 VanDerWaalsContact O-N 3.12Å; P754-N778 WeakPolarHBondContact CG-O 3.19Å; V775-N778 HydrophobicContact CG1-CB 4.21Å; H776-N778 PolarHBondContact O-N 3.03Å; N778-N781 VanDerWaalsContact ND2-C 3.35Å; N778-N781 PolarHBondContact ND2-O 3.27Å; N778-N781 PolarHBondContact OD1-N 2.88Å; N778-P782 WeakPolarHBondContact ND2-CA 3.5Å; N778-P782 WeakPolarHBondContact O-CB 3.24Å; N778-P782 VanDerWaalsContact O-CD 3.26Å; N778-P782 WeakPolarHBondContact O-CD 3.37Å; N778-P782 WeakPolarHBondContact O-CG 3.14Å
779	G	83.2	Confident	87.4	Confident	4 Å²	4	60.1 Å²	60.1	4%	0.041	29%	0.292	C	S	.	.	S	Bend	trans	-82.2	-20.3	168.7	0	0	0	0	0	115.6	F739	F739-G779 WeakPolarHBondContact CB-O 3.24Å; F739-G779 PolarHBondContact N-O 3.43Å
780	D	85.4	Confident	87.1	Confident	39 Å²	39	54 Å²	54	21%	0.209	26%	0.263	C	S	.	.	S	Bend	trans	-72.4	-43	-175.4	-90.4	3.3	0	0	0	112.3	K278 K281 N738	K278-D780 IonicContact NZ-OD1 2.77Å; K278-D780 PolarHBondContact NZ-OD1 2.65Å; K281-D780 VanDerWaalsContact CD-OD2 3.32Å; K281-D780 WeakPolarHBondContact CD-OD2 3.38Å; K281-D780 WeakPolarHBondContact CE-OD2 3.3Å; K281-D780 IonicContact NZ-OD2 2.84Å; K281-D780 PolarHBondContact NZ-OD2 3.05Å; N738-D780 PolarHBondContact N-O 3.03Å
781	N	84	Confident	86.7	Confident	76 Å²	76	54.5 Å²	54.5	41%	0.406	27%	0.265	S	S	.	.	S	Bend	trans	-156.6	60.8	-173.9	52.1	-103.3	0	0	0	112.4	K281 G736 N778	K281-N781 PolarHBondContact NZ-OD1 3.47Å; G736-N781 WeakPolarHBondContact O-CA 3.47Å; N778-N781 VanDerWaalsContact ND2-C 3.35Å; N778-N781 PolarHBondContact ND2-O 3.27Å; N778-N781 PolarHBondContact OD1-N 2.88Å
782	P	89.9	Confident	86.4	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.			trans	-67.3	141.6	176.9	25.3	-31.1	0	0	0	112.3	S735 G736 F739 P754 V775 N778 F784	S735-P782 CarbonylContact C-O 3.6Å; S735-P782 WeakPolarHBondContact CA-O 3.18Å; S735-P782 WeakPolarHBondContact CB-O 3.44Å; G736-P782 PolarHBondContact N-O 3.23Å; G736-P782 WeakPolarHBondContact O-CD 3.39Å; F739-P782 HydrophobicContact CD2-CG 3.91Å; F739-P782 HydrophobicContact CE2-CG 3.48Å; F739-P782 VanDerWaalsContact CE2-CG 3.48Å; F739-P782 HydrophobicContact CZ-CG 4.2Å; P754-P782 HydrophobicContact CG-CB 4.05Å; P754-P782 HydrophobicContact CG-CG 3.95Å; V775-P782 HydrophobicContact CB-CB 3.9Å; V775-P782 HydrophobicContact CG1-CB 3.74Å; V775-P782 HydrophobicContact CG2-CB 4.17Å; N778-P782 WeakPolarHBondContact ND2-CA 3.5Å; N778-P782 WeakPolarHBondContact O-CB 3.24Å; N778-P782 VanDerWaalsContact O-CD 3.26Å; N778-P782 WeakPolarHBondContact O-CD 3.37Å; N778-P782 WeakPolarHBondContact O-CG 3.14Å; P782-F784 HydrophobicContact CB-CE1 4.46Å; P782-F784 HydrophobicContact CB-CE2 4.07Å; P782-F784 HydrophobicContact CB-CZ 3.88Å; P782-F784 HydrophobicContact CG-CE2 3.97Å; P782-F784 HydrophobicContact CG-CZ 3.95Å
783	L	84.3	Confident	86	Confident	67 Å²	67	49.3 Å²	49.3	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.3	171	-79.7	156.9	0	0	0	108.2	E317 V775	E317-L783 HydrophobicContact CB-CD2 4.29Å; E317-L783 HydrophobicContact CG-CD2 4.47Å; V775-L783 VanDerWaalsContact CG2-O 3.24Å; V775-L783 WeakPolarHBondContact CG2-O 3.48Å
784	F	88.2	Confident	85.9	Confident	19 Å²	19	42.7 Å²	42.7	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-52	179.6	-61	-72.6	0	0	0	110.6	I733 I734 F739 V756 T772 V775 P782 E786 L847	I733-F784 HydrophobicContact CG2-CB 3.96Å; I733-F784 HydrophobicContact CG2-CD2 3.67Å; I733-F784 HydrophobicContact CG2-CE2 4.48Å; I733-F784 HydrophobicContact CG2-CG 3.98Å; I734-F784 PolarHBondContact O-N 2.76Å; F739-F784 HydrophobicContact CE2-CE2 4.3Å; F739-F784 HydrophobicContact CE2-CZ 4.09Å; F739-F784 HydrophobicContact CZ-CE2 4.34Å; V756-F784 HydrophobicContact CG2-CD1 4.45Å; V756-F784 HydrophobicContact CG2-CD2 4.08Å; V756-F784 HydrophobicContact CG2-CE1 4.04Å; V756-F784 HydrophobicContact CG2-CE2 3.61Å; V756-F784 HydrophobicContact CG2-CG 4.48Å; V756-F784 HydrophobicContact CG2-CZ 3.59Å; T772-F784 HydrophobicContact CG2-CB 4.09Å; T772-F784 HydrophobicContact CG2-CD1 4.16Å; T772-F784 HydrophobicContact CG2-CG 4.22Å; T772-F784 WeakPolarHBondContact OG1-CD1 3.45Å; V775-F784 HydrophobicContact CB-CE1 4.22Å; V775-F784 HydrophobicContact CG2-CD1 3.47Å; V775-F784 VanDerWaalsContact CG2-CD1 3.47Å; V775-F784 HydrophobicContact CG2-CE1 3.42Å; V775-F784 VanDerWaalsContact CG2-CE1 3.42Å; V775-F784 HydrophobicContact CG2-CG 4.35Å; V775-F784 HydrophobicContact CG2-CZ 4.29Å; P782-F784 HydrophobicContact CB-CE1 4.46Å; P782-F784 HydrophobicContact CB-CE2 4.07Å; P782-F784 HydrophobicContact CB-CZ 3.88Å; P782-F784 HydrophobicContact CG-CE2 3.97Å; P782-F784 HydrophobicContact CG-CZ 3.95Å; F784-E786 PolarHBondContact O-N 3.29Å; F784-L847 HydrophobicContact CE2-CD2 4.46Å
785	D	81.2	Confident	85.7	Confident	37 Å²	37	41.7 Å²	41.7	20%	0.198	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.9	44.1	-178.5	-148.1	61.2	0	0	0	114.8	A210 K732 I733 I734	A210-D785 WeakPolarHBondContact CB-OD2 3.45Å; K732-D785 WeakPolarHBondContact CE-OD1 3.48Å; K732-D785 IonicContact NZ-OD1 3.4Å; K732-D785 PolarHBondContact NZ-OD1 2.79Å; K732-D785 IonicContact NZ-OD2 2.78Å; K732-D785 PolarHBondContact NZ-OD2 2.8Å; I733-D785 WeakPolarHBondContact O-CA 3.32Å; I733-D785 PolarHBondContact O-N 2.92Å; I733-D785 VanDerWaalsContact O-N 3.07Å; I734-D785 PolarHBondContact O-N 2.86Å; I734-D785 VanDerWaalsContact O-N 3.13Å
786	E	82.2	Confident	85.8	Confident	41 Å²	41	44.2 Å²	44.2	19%	0.192	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141	-179.4	-66.8	-165	-105.9	0	0	113.1	K732 I733 T772 K773 F784 F788	K732-E786 CarbonylContact C-O 3.28Å; K732-E786 WeakPolarHBondContact CA-O 3.29Å; I733-E786 PolarHBondContact N-O 2.99Å; I733-E786 PolarHBondContact O-N 3.25Å; T772-E786 WeakPolarHBondContact CA-OE1 3.15Å; T772-E786 HydrophobicContact CG2-CB 4.41Å; K773-E786 WeakPolarHBondContact CG-OE1 3.38Å; K773-E786 PolarHBondContact N-OE1 3.09Å; K773-E786 IonicContact NZ-OE1 3.86Å; K773-E786 PolarHBondContact NZ-OE1 2.93Å; K773-E786 IonicContact NZ-OE2 2.71Å; K773-E786 PolarHBondContact NZ-OE2 3.08Å; F784-E786 PolarHBondContact O-N 3.29Å; E786-F788 HydrophobicContact CB-CZ 4.24Å
787	S	82.5	Confident	86	Confident	47 Å²	47	37.9 Å²	37.9	33%	0.329	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.5	-174.9	-57.5	0	0	0	0	111.9	I731 K732	I731-S787 WeakPolarHBondContact O-CA 3.32Å; K732-S787 WeakPolarHBondContact CD-OG 3.35Å; K732-S787 WeakPolarHBondContact CG-OG 3.31Å
788	F	87.2	Confident	86.5	Confident	12 Å²	12	30.7 Å²	30.7	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138	-179.6	-52.3	-56.4	0	0	0	110.7	H730 I731 I733 V758 Q770 R771 T772 E786 F790	H730-F788 WeakPolarHBondContact CA-O 3.26Å; I731-F788 PolarHBondContact N-O 3.23Å; I731-F788 PolarHBondContact O-N 3.13Å; I733-F788 HydrophobicContact CG1-CD2 4.31Å; I733-F788 HydrophobicContact CG1-CE2 3.84Å; V758-F788 HydrophobicContact CB-CD2 4.28Å; V758-F788 HydrophobicContact CG2-CD2 3.9Å; V758-F788 HydrophobicContact CG2-CE2 4.06Å; Q770-F788 HydrophobicContact CB-CB 4.43Å; Q770-F788 HydrophobicContact CB-CD1 3.64Å; Q770-F788 HydrophobicContact CB-CE1 3.99Å; Q770-F788 HydrophobicContact CB-CG 3.95Å; Q770-F788 HydrophobicContact CG-CD1 4.34Å; R771-F788 VanDerWaalsContact C-CZ 3.5Å; T772-F788 HydrophobicContact CG2-CE2 4.06Å; T772-F788 HydrophobicContact CG2-CZ 3.88Å; E786-F788 HydrophobicContact CB-CZ 4.24Å; F788-F790 HydrophobicContact CB-CD2 4.39Å; F788-F790 HydrophobicContact CB-CE2 3.57Å; F788-F790 HydrophobicContact CB-CZ 3.95Å
789	E	84.7	Confident	87.2	Confident	77 Å²	77	28.7 Å²	28.7	36%	0.36	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.7	171.8	-66.7	-169.3	145	0	0	110.6	L728 L729 H730 Q770	L728-E789 HydrophobicContact CD1-CB 4.38Å; L728-E789 HydrophobicContact CD2-CG 4.41Å; L729-E789 CarbonylContact O-C 3.52Å; L729-E789 WeakPolarHBondContact O-CA 3.35Å; H730-E789 IonicContact CD2-OE1 3.12Å; Q770-E789 PolarHBondContact NE2-O 2.83Å
790	F	88.3	Confident	87.9	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.035	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.5	177	-54.3	-90.7	0	0	0	110.4	L728 L729 V758 I760 A768 Q770 F788 I792	L728-F790 CarbonylContact C-O 3.57Å; L728-F790 VanDerWaalsContact CA-O 3.32Å; L728-F790 WeakPolarHBondContact CA-O 3.41Å; L729-F790 HydrophobicContact CB-CB 4.36Å; L729-F790 HydrophobicContact CD2-CD2 4.35Å; L729-F790 PolarHBondContact N-O 3.39Å; L729-F790 PolarHBondContact O-N 3.02Å; V758-F790 HydrophobicContact CB-CE2 4.29Å; V758-F790 HydrophobicContact CB-CZ 4Å; V758-F790 HydrophobicContact CG1-CE2 3.69Å; V758-F790 HydrophobicContact CG1-CZ 3.74Å; I760-F790 HydrophobicContact CD1-CB 4.26Å; I760-F790 HydrophobicContact CD1-CD1 4.06Å; I760-F790 HydrophobicContact CD1-CD2 4Å; I760-F790 HydrophobicContact CD1-CE1 4.32Å; I760-F790 HydrophobicContact CD1-CE2 4.29Å; I760-F790 HydrophobicContact CD1-CG 3.87Å; I760-F790 HydrophobicContact CD1-CZ 4.43Å; I760-F790 HydrophobicContact CG1-CB 4.04Å; I760-F790 HydrophobicContact CG1-CD1 3.4Å; I760-F790 HydrophobicContact CG1-CD2 4.27Å; I760-F790 HydrophobicContact CG1-CE1 3.76Å; I760-F790 HydrophobicContact CG1-CG 3.66Å; I760-F790 HydrophobicContact CG1-CZ 4.34Å; A768-F790 HydrophobicContact CB-CD1 3.8Å; A768-F790 HydrophobicContact CB-CE1 4.12Å; Q770-F790 HydrophobicContact CB-CE1 4.26Å; Q770-F790 HydrophobicContact CB-CZ 4Å; Q770-F790 HydrophobicContact CG-CE1 3.86Å; Q770-F790 HydrophobicContact CG-CZ 4.04Å; F788-F790 HydrophobicContact CB-CD2 4.39Å; F788-F790 HydrophobicContact CB-CE2 3.57Å; F788-F790 HydrophobicContact CB-CZ 3.95Å; F790-I792 HydrophobicContact CB-CD1 4.18Å
791	Q	86.9	Confident	88.5	Confident	79 Å²	79	27.4 Å²	27.4	37%	0.369	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.3	173.6	-171.8	-175.7	-64.6	0	0	109.7	P726 Q727 L728 N793	P726-Q791 HydrophobicContact CB-CG 4.22Å; Q727-Q791 CarbonylContact O-C 3.57Å; L728-Q791 HydrophobicContact CD1-CB 4.44Å; Q791-N793 PolarHBondContact NE2-OD1 3.25Å
792	I	88.3	Confident	89.2	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.8	-177.6	-47.5	-58	0	0	0	108.1	P726 Q727 L729 I760 D766 F790 P795 A798 F822	P726-I792 CarbonylContact C-O 3.44Å; P726-I792 VanDerWaalsContact CA-O 3.26Å; P726-I792 WeakPolarHBondContact CA-O 3.5Å; Q727-I792 PolarHBondContact N-O 3.34Å; Q727-I792 PolarHBondContact O-N 2.72Å; L729-I792 HydrophobicContact CB-CG1 4.2Å; I760-I792 HydrophobicContact CD1-CD1 4.43Å; I760-I792 HydrophobicContact CG1-CD1 4.42Å; I760-I792 HydrophobicContact CG2-CD1 3.61Å; D766-I792 WeakPolarHBondContact OD2-CG2 3.12Å; F790-I792 HydrophobicContact CB-CD1 4.18Å; I792-P795 HydrophobicContact CG2-CB 4.48Å; I792-P795 HydrophobicContact CG2-CG 4.1Å; I792-A798 HydrophobicContact CG2-CB 3.69Å; I792-F822 HydrophobicContact CB-CE2 4.35Å; I792-F822 HydrophobicContact CG1-CD2 4.11Å; I792-F822 HydrophobicContact CG1-CE2 3.77Å; I792-F822 HydrophobicContact CG1-CZ 4.5Å; I792-F822 HydrophobicContact CG2-CD2 4.37Å; I792-F822 HydrophobicContact CG2-CE2 4.46Å
793	N	85.3	Confident	89.6	Confident	10 Å²	10	24 Å²	24	5%	0.053	12%	0.121	C	C	.	.	S	Bend	trans	-90.2	-20.9	-175.6	-50.5	-84.8	0	0	0	112.6	V724 I763 A765 D766 Q791	V724-N793 WeakPolarHBondContact CG1-O 3.35Å; I763-N793 HydrophobicContact CD1-CB 4.41Å; A765-N793 PolarHBondContact O-ND2 3.09Å; A765-N793 VanDerWaalsContact O-ND2 3.16Å; D766-N793 WeakPolarHBondContact OD1-CA 3.43Å; D766-N793 WeakPolarHBondContact OD1-CB 3.25Å; D766-N793 PolarHBondContact OD1-N 3.12Å; D766-N793 PolarHBondContact OD1-ND2 3.04Å; D766-N793 PolarHBondContact OD2-N 3.31Å; Q791-N793 PolarHBondContact NE2-OD1 3.25Å
794	L	86.5	Confident	90.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.			trans	-134.3	76.9	171.4	-169.4	60.2	0	0	0	112.4	F713 V721 V724 I763 D766 E796 L797 A798	F713-L794 HydrophobicContact CE2-CD2 3.9Å; F713-L794 HydrophobicContact CZ-CD2 3.76Å; V721-L794 HydrophobicContact CG2-CB 4.4Å; V724-L794 HydrophobicContact CB-CD1 4.46Å; V724-L794 HydrophobicContact CG1-CD1 4.24Å; V724-L794 HydrophobicContact CG2-CD1 3.81Å; I763-L794 HydrophobicContact CD1-CB 3.79Å; I763-L794 HydrophobicContact CG1-CB 4.2Å; I763-L794 HydrophobicContact CG2-CB 4.46Å; I763-L794 HydrophobicContact CG2-CD2 3.91Å; D766-L794 PolarHBondContact OD2-N 2.91Å; L794-E796 VanDerWaalsContact C-N 3.3Å; L794-E796 PolarHBondContact O-N 3.48Å; L794-L797 HydrophobicContact CD2-CB 3.89Å; L794-L797 HydrophobicContact CD2-CD1 3.83Å; L794-L797 HydrophobicContact CD2-CG 4.46Å; L794-L797 HydrophobicContact CG-CB 4.01Å; L794-L797 PolarHBondContact O-N 2.83Å; L794-A798 PolarHBondContact O-N 3.19Å
795	P	88.6	Confident	90.5	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.032	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-46.8	-42.9	179.2	-33.8	39	0	0	0	115.8	Q727 I792 L797 A798 F822 E823	Q727-P795 HydrophobicContact CB-CG 4.36Å; Q727-P795 HydrophobicContact CG-CG 3.92Å; I792-P795 HydrophobicContact CG2-CB 4.48Å; I792-P795 HydrophobicContact CG2-CG 4.1Å; P795-L797 PolarHBondContact O-N 3.39Å; P795-A798 PolarHBondContact O-N 2.83Å; P795-F822 HydrophobicContact CB-CD1 3.62Å; P795-F822 HydrophobicContact CB-CE1 3.69Å; P795-F822 HydrophobicContact CG-CE1 4.18Å; P795-E823 VanDerWaalsContact CB-OE1 3.25Å; P795-E823 WeakPolarHBondContact CB-OE1 3.28Å
796	E	89.2	Confident	91	Very high	81 Å²	81	20 Å²	20	38%	0.379	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-63.9	-6.5	179.1	-61	176.5	-83.1	0	0	114.5	W690 P703 L794	W690-E796 WeakPolarHBondContact CH2-O 3.25Å; P703-E796 WeakPolarHBondContact CA-OE2 3.42Å; P703-E796 HydrophobicContact CB-CB 3.93Å; P703-E796 HydrophobicContact CG-CB 3.7Å; L794-E796 VanDerWaalsContact C-N 3.3Å; L794-E796 PolarHBondContact O-N 3.48Å
797	L	92.3	Very high	91.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-128.8	12.6	179.3	-116.5	176.8	0	0	0	113.2	Y410 Q663 W666 P703 M706 I763 L794 P795	Y410-L797 HydrophobicContact CE2-CD2 4.47Å; Q663-L797 PolarHBondContact NE2-O 2.8Å; W666-L797 HydrophobicContact CB-CD2 4.28Å; P703-L797 HydrophobicContact CG-CB 4.4Å; P703-L797 HydrophobicContact CG-CD1 4.14Å; P703-L797 HydrophobicContact CG-CG 3.95Å; M706-L797 HydrophobicContact CE-CD1 4.25Å; M706-L797 HydrophobicContact SD-CD1 3.51Å; M706-L797 VanDerWaalsContact SD-CD1 3.51Å; I763-L797 HydrophobicContact CG2-CD1 4.46Å; L794-L797 HydrophobicContact CD2-CB 3.89Å; L794-L797 HydrophobicContact CD2-CD1 3.83Å; L794-L797 HydrophobicContact CD2-CG 4.46Å; L794-L797 HydrophobicContact CG-CB 4.01Å; L794-L797 PolarHBondContact O-N 2.83Å; P795-L797 PolarHBondContact O-N 3.39Å
798	A	94.9	Very high	91.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	10%	0.104	C	C	.	.			trans	-106.1	149.2	-176.7	0	0	0	0	0	113	H761 I792 L794 P795 F822	H761-A798 CarbonylContact O-C 3.35Å; H761-A798 WeakPolarHBondContact O-CA 3.36Å; I792-A798 HydrophobicContact CG2-CB 3.69Å; L794-A798 PolarHBondContact O-N 3.19Å; P795-A798 PolarHBondContact O-N 2.83Å; A798-F822 HydrophobicContact CB-CB 3.95Å; A798-F822 WeakPolarHBondContact O-CB 3.41Å; A798-F822 PolarHBondContact O-N 2.78Å
799	M	97.4	Very high	90.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.8	172.4	-71.5	175.5	-80.7	0	0	109.9	W666 L686 W690 I760 H761 T819 I820	W666-M799 HydrophobicContact CE3-CE 4.42Å; W666-M799 HydrophobicContact CZ3-CE 3.9Å; L686-M799 HydrophobicContact CB-CE 4.3Å; L686-M799 HydrophobicContact CB-SD 4.44Å; L686-M799 HydrophobicContact CD2-CE 3.94Å; L686-M799 HydrophobicContact CD2-SD 4.04Å; W690-M799 HydrophobicContact CB-SD 4.05Å; W690-M799 HydrophobicContact CD2-SD 4.46Å; W690-M799 HydrophobicContact CE3-CE 4.2Å; W690-M799 HydrophobicContact CE3-CG 3.64Å; W690-M799 HydrophobicContact CE3-SD 3.76Å; W690-M799 HydrophobicContact CZ3-CG 4.01Å; I760-M799 WeakPolarHBondContact CA-O 3.43Å; H761-M799 HydrophobicContact CB-CB 4.4Å; H761-M799 HydrophobicContact CB-CE 4.41Å; H761-M799 PolarHBondContact N-O 2.84Å; H761-M799 PolarHBondContact O-N 2.88Å; M799-T819 HydrophobicContact SD-CG2 4.31Å; M799-I820 WeakPolarHBondContact CA-O 3.47Å
800	V	98.1	Very high	89.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.2	169.5	-176.9	0	0	0	0	108.2	L729 I731 V758 E759 I760 F802 I820 L825	L729-V800 HydrophobicContact CD2-CG2 3.6Å; I731-V800 HydrophobicContact CD1-CG1 3.85Å; V758-V800 HydrophobicContact CG1-CG1 3.99Å; E759-V800 WeakPolarHBondContact O-CA 3.22Å; I760-V800 HydrophobicContact CD1-CB 4.48Å; I760-V800 HydrophobicContact CD1-CG1 4.3Å; I760-V800 HydrophobicContact CD1-CG2 3.83Å; V800-F802 HydrophobicContact CG1-CD2 4.4Å; V800-F802 HydrophobicContact CG1-CE2 3.89Å; V800-F802 HydrophobicContact CG1-CZ 4.08Å; V800-I820 HydrophobicContact CB-CG2 4.2Å; V800-I820 PolarHBondContact N-O 3.49Å; V800-I820 WeakPolarHBondContact O-CG2 3.49Å; V800-I820 PolarHBondContact O-N 2.98Å; V800-L825 HydrophobicContact CB-CD1 4.41Å; V800-L825 HydrophobicContact CG2-CD1 3.72Å
801	R	98.1	Very high	88.8	Confident	15 Å²	15	36.4 Å²	36.4	6%	0.057	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.6	177.4	175.8	166.6	-178.9	-87.1	-0.5	109.4	D685 E759 V803 Y818 T819	D685-R801 IonicContact OD2-CZ 2.74Å; D685-R801 IonicContact OD2-NE 3.7Å; D685-R801 PolarHBondContact OD2-NE 2.8Å; D685-R801 IonicContact OD2-NH2 3.18Å; D685-R801 PolarHBondContact OD2-NH2 3.45Å; E759-R801 HydrophobicContact CB-CB 4.22Å; E759-R801 PolarHBondContact N-O 2.96Å; E759-R801 PolarHBondContact O-N 2.99Å; E759-R801 IonicContact OE1-NH1 2.82Å; E759-R801 PolarHBondContact OE1-NH1 2.59Å; E759-R801 VanDerWaalsContact OE2-CD 3.31Å; E759-R801 WeakPolarHBondContact OE2-CD 3.21Å; E759-R801 IonicContact OE2-CZ 2.8Å; E759-R801 IonicContact OE2-NE 2.68Å; E759-R801 IonicContact OE2-NH1 2.77Å; E759-R801 PolarHBondContact OE2-NH1 3.23Å; R801-V803 HydrophobicContact CG-CG2 3.93Å; R801-Y818 WeakPolarHBondContact CA-O 3.46Å; R801-T819 HydrophobicContact CB-CG2 4.31Å; R801-T819 VanDerWaalsContact CD-OG1 3.29Å; R801-T819 WeakPolarHBondContact CD-OG1 3.19Å; R801-T819 VanDerWaalsContact CG-OG1 3.31Å; R801-T819 WeakPolarHBondContact CG-OG1 3.41Å
802	F	98.6	Very high	88.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.9	170.4	-59.1	-92.6	0	0	0	108	I390 I731 I733 Y757 V758 V800 Q817 Y818 I820 V832 L847 V849	I390-F802 HydrophobicContact CD1-CE2 3.83Å; I390-F802 HydrophobicContact CD1-CZ 3.86Å; I731-F802 HydrophobicContact CD1-CE1 4.33Å; I731-F802 HydrophobicContact CD1-CZ 4.05Å; I731-F802 HydrophobicContact CG2-CE1 3.98Å; I733-F802 HydrophobicContact CD1-CD1 3.91Å; I733-F802 HydrophobicContact CD1-CE1 3.84Å; Y757-F802 WeakPolarHBondContact O-CA 3.48Å; V758-F802 HydrophobicContact CG2-CD1 4.07Å; V758-F802 HydrophobicContact CG2-CE1 4.24Å; V800-F802 HydrophobicContact CG1-CD2 4.4Å; V800-F802 HydrophobicContact CG1-CE2 3.89Å; V800-F802 HydrophobicContact CG1-CZ 4.08Å; F802-Q817 CarbonylContact O-C 3.54Å; F802-Q817 WeakPolarHBondContact O-CA 3.38Å; F802-Q817 WeakPolarHBondContact O-CB 3.42Å; F802-Y818 PolarHBondContact N-O 3.46Å; F802-Y818 PolarHBondContact O-N 2.9Å; F802-I820 HydrophobicContact CE2-CG2 4.24Å; F802-V832 HydrophobicContact CD2-CG1 4.11Å; F802-V832 HydrophobicContact CG-CG1 4.48Å; F802-L847 HydrophobicContact CB-CD1 4.07Å; F802-L847 HydrophobicContact CD1-CD1 4.25Å; F802-L847 HydrophobicContact CG-CD1 4.45Å; F802-V849 HydrophobicContact CE1-CG1 4.28Å
803	V	98.1	Very high	88.8	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.7	175.9	-163	0	0	0	0	109.1	V756 Y757 E759 R801 L805 F814 Q817	V756-V803 CarbonylContact C-O 3.32Å; V756-V803 VanDerWaalsContact CA-O 3.27Å; V756-V803 WeakPolarHBondContact CA-O 3.3Å; V756-V803 WeakPolarHBondContact CG1-O 3.35Å; Y757-V803 PolarHBondContact N-O 3.05Å; Y757-V803 PolarHBondContact O-N 2.84Å; E759-V803 WeakPolarHBondContact OE1-CG2 3.42Å; R801-V803 HydrophobicContact CG-CG2 3.93Å; V803-L805 HydrophobicContact CG1-CD2 4.1Å; V803-L805 HydrophobicContact CG1-CG 4.27Å; V803-F814 HydrophobicContact CG1-CD2 4.25Å; V803-F814 HydrophobicContact CG1-CE2 4Å; V803-Q817 HydrophobicContact CG1-CB 4.47Å
804	V	97.3	Very high	89.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.1	173.5	-173.4	0	0	0	0	108.9	F739 P754 Y755 V756 I815 G816 L834 L847	F739-V804 HydrophobicContact CD2-CG1 3.95Å; F739-V804 HydrophobicContact CE1-CG1 4.25Å; F739-V804 HydrophobicContact CE1-CG2 4.34Å; F739-V804 HydrophobicContact CE2-CG1 3.62Å; F739-V804 HydrophobicContact CG-CG1 4.4Å; F739-V804 HydrophobicContact CZ-CG1 3.77Å; F739-V804 HydrophobicContact CZ-CG2 4.1Å; P754-V804 HydrophobicContact CB-CG1 4.24Å; Y755-V804 WeakPolarHBondContact O-CA 3.36Å; V756-V804 HydrophobicContact CG1-CG2 4.39Å; V756-V804 HydrophobicContact CG2-CG2 4.13Å; V804-I815 HydrophobicContact CB-CB 4.28Å; V804-I815 HydrophobicContact CB-CG2 4.45Å; V804-I815 HydrophobicContact CG1-CB 4.12Å; V804-I815 HydrophobicContact CG1-CD1 4.06Å; V804-I815 HydrophobicContact CG1-CG2 4.2Å; V804-I815 WeakPolarHBondContact O-CB 3.22Å; V804-I815 PolarHBondContact O-N 2.8Å; V804-G816 PolarHBondContact N-O 2.83Å; V804-G816 PolarHBondContact O-N 2.81Å; V804-L834 HydrophobicContact CB-CD1 4.02Å; V804-L834 HydrophobicContact CG2-CD1 3.44Å; V804-L834 VanDerWaalsContact CG2-CD1 3.44Å; V804-L834 HydrophobicContact CG2-CD2 4.33Å; V804-L847 HydrophobicContact CG2-CD1 4.14Å; V804-L847 HydrophobicContact CG2-CD2 4.06Å; V804-L847 HydrophobicContact CG2-CG 4.33Å
805	L	94.5	Very high	89.5	Confident	26 Å²	26	40.9 Å²	40.9	14%	0.136	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.1	-178.2	-61.2	177.4	0	0	0	110.1	P754 Y755 Y757 V803 D812 E813 F814	P754-L805 VanDerWaalsContact CA-O 3.31Å; P754-L805 WeakPolarHBondContact CA-O 3.41Å; Y755-L805 HydrophobicContact CD1-CB 4.27Å; Y755-L805 HydrophobicContact CE1-CB 3.78Å; Y755-L805 HydrophobicContact CE1-CD1 4.46Å; Y755-L805 HydrophobicContact CE2-CD1 4.31Å; Y755-L805 PolarHBondContact N-O 2.95Å; Y755-L805 PolarHBondContact O-N 3.24Å; Y755-L805 VanDerWaalsContact O-N 3.09Å; Y755-L805 WeakPolarHBondContact OH-CD1 3.3Å; Y757-L805 HydrophobicContact CD2-CD1 3.86Å; Y757-L805 HydrophobicContact CE2-CD1 3.89Å; V803-L805 HydrophobicContact CG1-CD2 4.1Å; V803-L805 HydrophobicContact CG1-CG 4.27Å; L805-D812 HydrophobicContact CB-CB 4.29Å; L805-D812 HydrophobicContact CD1-CB 4.23Å; L805-E813 CarbonylContact C-O 3.58Å; L805-E813 WeakPolarHBondContact CA-O 3.44Å; L805-F814 HydrophobicContact CD2-CB 4.36Å; L805-F814 HydrophobicContact CD2-CD2 4.29Å
806	D	91.9	Very high	89.8	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.064	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.6	174.3	-157.1	3.5	0	0	0	109.7	P742 V752 D753 D808 D812 E813 I815	P742-D806 HydrophobicContact CG-CB 4.31Å; V752-D806 VanDerWaalsContact CA-OD1 3.31Å; V752-D806 WeakPolarHBondContact CA-OD1 3.3Å; V752-D806 WeakPolarHBondContact CB-OD1 3.35Å; V752-D806 WeakPolarHBondContact CB-OD2 3.29Å; V752-D806 WeakPolarHBondContact CG1-OD2 3.31Å; D753-D806 PolarHBondContact N-OD1 2.88Å; D806-D808 VanDerWaalsContact C-N 3.26Å; D806-D808 PolarHBondContact O-N 2.86Å; D806-D812 VanDerWaalsContact O-CA 3.23Å; D806-D812 WeakPolarHBondContact O-CA 2.92Å; D806-E813 HydrophobicContact CB-CB 4.21Å; D806-E813 PolarHBondContact N-O 3.12Å; D806-E813 PolarHBondContact O-N 3.18Å; D806-E813 VanDerWaalsContact O-N 3.14Å; D806-I815 HydrophobicContact CB-CD1 3.96Å; D806-I815 HydrophobicContact CB-CG1 4.25Å
807	D	89.3	Confident	90.2	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	19%	0.185	S	C	.	.			trans	-81	62.4	-176.3	-167.2	12.6	0	0	0	111.5	D753 Y755 T774	D753-D807 HydrophobicContact CB-CB 4.35Å; D753-D807 WeakPolarHBondContact O-CB 3.27Å; D753-D807 PolarHBondContact O-N 3.28Å; Y755-D807 HydrophobicContact CD1-CB 4.15Å; Y755-D807 HydrophobicContact CE1-CB 4.38Å; T774-D807 WeakPolarHBondContact CB-OD2 3.48Å; T774-D807 HydrophobicContact CG2-CB 3.47Å; T774-D807 VanDerWaalsContact CG2-CB 3.47Å; T774-D807 WeakPolarHBondContact CG2-OD2 3.4Å; T774-D807 PolarHBondContact OG1-OD2 2.78Å
808	D	77.9	Confident	90.5	Very high	53 Å²	53	37.4 Å²	37.4	28%	0.283	19%	0.188	S	C	.	.			trans	-84	152.6	178.4	-163.3	11.5	0	0	0	112.6	A747 D806 I810 G811	A747-D808 VanDerWaalsContact CB-OD2 3.31Å; A747-D808 WeakPolarHBondContact CB-OD2 3.26Å; D806-D808 VanDerWaalsContact C-N 3.26Å; D806-D808 PolarHBondContact O-N 2.86Å; D808-I810 PolarHBondContact O-N 3.06Å; D808-G811 PolarHBondContact O-N 2.83Å
809	Y	68.6	Low	90.7	Very high	220 Å²	220	37.3 Å²	37.3	86%	0.863	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-12	-171.4	-169.3	-101.7	0	0	0	114.9
810	I	70.8	Confident	90.6	Very high	154 Å²	154	37.3 Å²	37.3	79%	0.79	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	42.4	-178.8	-37.6	-174.6	0	0	0	111.3	D808	D808-I810 PolarHBondContact O-N 3.06Å
811	G	72.9	Confident	90.6	Very high	43 Å²	43	37.4 Å²	37.4	44%	0.443	19%	0.188	S	C	.	.	S	Bend	trans	97.3	141.5	173	0	0	0	0	0	112.9	D808 E813	D808-G811 PolarHBondContact O-N 2.83Å; G811-E813 PolarHBondContact O-N 3.46Å
812	D	85.5	Confident	90.4	Very high	76 Å²	76	36.7 Å²	36.7	41%	0.406	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-73.4	118.2	-162.3	-48.6	34	0	0	0	111.5	Y755 L805 D806	Y755-D812 VanDerWaalsContact CE1-OD2 3.27Å; Y755-D812 WeakPolarHBondContact CE1-OD2 3.37Å; Y755-D812 VanDerWaalsContact CZ-OD2 3.28Å; Y755-D812 PolarHBondContact OH-OD2 2.87Å; L805-D812 HydrophobicContact CB-CB 4.29Å; L805-D812 HydrophobicContact CD1-CB 4.23Å; D806-D812 VanDerWaalsContact O-CA 3.23Å; D806-D812 WeakPolarHBondContact O-CA 2.92Å
813	E	88.9	Confident	90	Very high	45 Å²	45	39 Å²	39	21%	0.21	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.7	-175.5	-71.5	-163.7	154.8	0	0	112.5	P742 S745 L805 D806 G811 I815	P742-E813 HydrophobicContact CB-CB 3.88Å; P742-E813 VanDerWaalsContact CB-OE2 3.28Å; P742-E813 WeakPolarHBondContact CB-OE2 2.98Å; P742-E813 HydrophobicContact CG-CB 3.65Å; P742-E813 WeakPolarHBondContact CG-OE2 3.13Å; S745-E813 VanDerWaalsContact CA-OE1 3.3Å; S745-E813 WeakPolarHBondContact CA-OE1 3.31Å; S745-E813 VanDerWaalsContact CB-CD 3.46Å; S745-E813 WeakPolarHBondContact CB-OE1 3.44Å; S745-E813 WeakPolarHBondContact CB-OE2 3.36Å; S745-E813 PolarHBondContact N-OE1 3.43Å; S745-E813 VanDerWaalsContact N-OE1 3.12Å; S745-E813 PolarHBondContact OG-OE2 3.5Å; L805-E813 CarbonylContact C-O 3.58Å; L805-E813 WeakPolarHBondContact CA-O 3.44Å; D806-E813 HydrophobicContact CB-CB 4.21Å; D806-E813 PolarHBondContact N-O 3.12Å; D806-E813 PolarHBondContact O-N 3.18Å; D806-E813 VanDerWaalsContact O-N 3.14Å; G811-E813 PolarHBondContact O-N 3.46Å; E813-I815 PolarHBondContact O-N 3.15Å
814	F	92.5	Very high	89.9	Confident	54 Å²	54	38.8 Å²	38.8	24%	0.237	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.6	-177.8	-178.2	-85	0	0	0	112.9	P742 V803 L805 G816 Q817 L837	P742-F814 WeakPolarHBondContact CB-O 3.49Å; V803-F814 HydrophobicContact CG1-CD2 4.25Å; V803-F814 HydrophobicContact CG1-CE2 4Å; L805-F814 HydrophobicContact CD2-CB 4.36Å; L805-F814 HydrophobicContact CD2-CD2 4.29Å; F814-G816 VanDerWaalsContact CE1-CA 3.45Å; F814-G816 VanDerWaalsContact CZ-C 3.5Å; F814-Q817 HydrophobicContact CE2-CB 4Å; F814-Q817 HydrophobicContact CE2-CG 4.23Å; F814-Q817 HydrophobicContact CZ-CB 3.86Å; F814-Q817 HydrophobicContact CZ-CG 3.79Å; F814-L837 HydrophobicContact CD1-CB 4.14Å; F814-L837 HydrophobicContact CD1-CD1 4.38Å; F814-L837 HydrophobicContact CD2-CD1 4.38Å; F814-L837 HydrophobicContact CE1-CB 3.94Å; F814-L837 HydrophobicContact CE1-CD1 4.32Å; F814-L837 VanDerWaalsContact CE1-N 3.35Å; F814-L837 HydrophobicContact CE2-CD1 4.3Å; F814-L837 HydrophobicContact CG-CD1 4.4Å; F814-L837 HydrophobicContact CZ-CD1 4.27Å
815	I	93.6	Very high	89.7	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-52.4	173.4	-65.7	172.8	0	0	0	110.6	F739 P740 P742 V752 P754 V804 D806 E813 L842	F739-I815 HydrophobicContact CB-CG2 3.97Å; F739-I815 HydrophobicContact CG-CG2 4.29Å; P740-I815 HydrophobicContact CG-CG2 4.23Å; P742-I815 HydrophobicContact CG-CG1 3.8Å; V752-I815 HydrophobicContact CB-CD1 4.41Å; P754-I815 HydrophobicContact CB-CD1 4.25Å; V804-I815 HydrophobicContact CB-CB 4.28Å; V804-I815 HydrophobicContact CB-CG2 4.45Å; V804-I815 HydrophobicContact CG1-CB 4.12Å; V804-I815 HydrophobicContact CG1-CD1 4.06Å; V804-I815 HydrophobicContact CG1-CG2 4.2Å; V804-I815 WeakPolarHBondContact O-CB 3.22Å; V804-I815 PolarHBondContact O-N 2.8Å; D806-I815 HydrophobicContact CB-CD1 3.96Å; D806-I815 HydrophobicContact CB-CG1 4.25Å; E813-I815 PolarHBondContact O-N 3.15Å; I815-L842 WeakPolarHBondContact O-CD1 3.43Å
816	G	96.1	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	161.8	-177.6	0	0	0	0	0	114.6	V804 F814 Q835	V804-G816 PolarHBondContact N-O 2.83Å; V804-G816 PolarHBondContact O-N 2.81Å; F814-G816 VanDerWaalsContact CE1-CA 3.45Å; F814-G816 VanDerWaalsContact CZ-C 3.5Å; G816-Q835 CarbonylContact C-O 3.53Å; G816-Q835 WeakPolarHBondContact CA-O 3.27Å
817	Q	97.5	Very high	89.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.6	177.5	69.4	88	6.8	0	0	112.8	D685 F802 V803 F814 T819 Q835	D685-Q817 VanDerWaalsContact CG-CD 3.44Å; D685-Q817 PolarHBondContact OD1-NE2 3.44Å; F802-Q817 CarbonylContact O-C 3.54Å; F802-Q817 WeakPolarHBondContact O-CA 3.38Å; F802-Q817 WeakPolarHBondContact O-CB 3.42Å; V803-Q817 HydrophobicContact CG1-CB 4.47Å; F814-Q817 HydrophobicContact CE2-CB 4Å; F814-Q817 HydrophobicContact CE2-CG 4.23Å; F814-Q817 HydrophobicContact CZ-CB 3.86Å; F814-Q817 HydrophobicContact CZ-CG 3.79Å; Q817-T819 PolarHBondContact OE1-OG1 2.87Å; Q817-Q835 PolarHBondContact N-O 2.97Å; Q817-Q835 WeakPolarHBondContact O-CB 3.38Å; Q817-Q835 PolarHBondContact O-N 2.87Å
818	Y	98.2	Very high	89.1	Confident	13 Å²	13	37.1 Å²	37.1	5%	0.051	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	122.8	160.6	-168.5	-99.4	0	0	0	111.4	I390 R801 F802 I820 V832 P833 Q835	I390-Y818 HydrophobicContact CG2-CD1 4.4Å; I390-Y818 HydrophobicContact CG2-CE1 3.93Å; R801-Y818 WeakPolarHBondContact CA-O 3.46Å; F802-Y818 PolarHBondContact N-O 3.46Å; F802-Y818 PolarHBondContact O-N 2.9Å; Y818-I820 HydrophobicContact CD1-CB 4.33Å; Y818-I820 HydrophobicContact CD1-CG2 4.43Å; Y818-I820 HydrophobicContact CE1-CB 3.98Å; Y818-I820 HydrophobicContact CE1-CD1 4.22Å; Y818-I820 HydrophobicContact CE1-CG2 4.47Å; Y818-V832 HydrophobicContact CD1-CG1 3.55Å; Y818-V832 HydrophobicContact CE1-CG1 4.4Å; Y818-V832 HydrophobicContact CG-CG1 3.66Å; Y818-P833 WeakPolarHBondContact CD2-O 3.39Å; Y818-P833 HydrophobicContact CE2-CG 4.22Å; Y818-Q835 HydrophobicContact CD2-CG 4.3Å
819	T	98.1	Very high	89.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134	-179.7	-56.1	0	0	0	0	110.8	L686 R692 M799 R801 Q817	L686-T819 HydrophobicContact CD2-CG2 4.08Å; R692-T819 PolarHBondContact NH1-O 3.07Å; M799-T819 HydrophobicContact SD-CG2 4.31Å; R801-T819 HydrophobicContact CB-CG2 4.31Å; R801-T819 VanDerWaalsContact CD-OG1 3.29Å; R801-T819 WeakPolarHBondContact CD-OG1 3.19Å; R801-T819 VanDerWaalsContact CG-OG1 3.31Å; R801-T819 WeakPolarHBondContact CG-OG1 3.41Å; Q817-T819 PolarHBondContact OE1-OG1 2.87Å
820	I	97.3	Very high	91.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	131.5	-173.2	180	159.7	0	0	0	111.3	I390 F391 M799 V800 F802 Y818 C824 L825	I390-I820 HydrophobicContact CG1-CD1 4.42Å; I390-I820 HydrophobicContact CG2-CD1 4.32Å; F391-I820 HydrophobicContact CB-CD1 3.82Å; F391-I820 HydrophobicContact CD2-CD1 3.78Å; F391-I820 HydrophobicContact CD2-CG1 3.99Å; F391-I820 HydrophobicContact CG-CD1 4.19Å; M799-I820 WeakPolarHBondContact CA-O 3.47Å; V800-I820 HydrophobicContact CB-CG2 4.2Å; V800-I820 PolarHBondContact N-O 3.49Å; V800-I820 WeakPolarHBondContact O-CG2 3.49Å; V800-I820 PolarHBondContact O-N 2.98Å; F802-I820 HydrophobicContact CE2-CG2 4.24Å; Y818-I820 HydrophobicContact CD1-CB 4.33Å; Y818-I820 HydrophobicContact CD1-CG2 4.43Å; Y818-I820 HydrophobicContact CE1-CB 3.98Å; Y818-I820 HydrophobicContact CE1-CD1 4.22Å; Y818-I820 HydrophobicContact CE1-CG2 4.47Å; I820-C824 HydrophobicContact CD1-CB 4.2Å; I820-C824 HydrophobicContact CG1-CB 3.85Å; I820-L825 HydrophobicContact CD1-CD2 3.96Å; I820-L825 HydrophobicContact CD1-CG 4.44Å; I820-L825 HydrophobicContact CG1-CD2 4.23Å; I820-L825 HydrophobicContact CG1-CG 4.42Å; I820-L825 HydrophobicContact CG2-CD2 3.74Å; I820-L825 HydrophobicContact CG2-CG 4.43Å
821	P	96.8	Very high	92.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.013	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	144.2	171.3	-22.2	34.8	0	0	0	110.9	G689 W690 Q693 E823 C824	G689-P821 WeakPolarHBondContact O-CD 3.48Å; G689-P821 WeakPolarHBondContact O-CG 3.32Å; W690-P821 HydrophobicContact CE3-CB 4.21Å; W690-P821 HydrophobicContact CE3-CG 4.21Å; W690-P821 HydrophobicContact CZ3-CB 4.17Å; Q693-P821 HydrophobicContact CB-CG 4.44Å; P821-E823 VanDerWaalsContact C-N 3.32Å; P821-E823 PolarHBondContact O-N 2.95Å; P821-C824 HydrophobicContact CB-CB 4.38Å; P821-C824 WeakPolarHBondContact O-CA 3.45Å; P821-C824 WeakPolarHBondContact O-CB 3.36Å; P821-C824 PolarHBondContact O-N 2.77Å
822	F	95.1	Very high	93.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-57.8	-43.4	-175.4	178.5	-85.6	0	0	0	112.3	Q727 L729 I792 P795 A798 C824 L825 I853	Q727-F822 HydrophobicContact CB-CZ 4.19Å; L729-F822 HydrophobicContact CB-CE2 4.16Å; L729-F822 HydrophobicContact CD1-CE2 4.28Å; L729-F822 HydrophobicContact CD2-CD2 4.39Å; L729-F822 HydrophobicContact CD2-CE2 4.28Å; L729-F822 HydrophobicContact CG-CE2 4.48Å; I792-F822 HydrophobicContact CB-CE2 4.35Å; I792-F822 HydrophobicContact CG1-CD2 4.11Å; I792-F822 HydrophobicContact CG1-CE2 3.77Å; I792-F822 HydrophobicContact CG1-CZ 4.5Å; I792-F822 HydrophobicContact CG2-CD2 4.37Å; I792-F822 HydrophobicContact CG2-CE2 4.46Å; P795-F822 HydrophobicContact CB-CD1 3.62Å; P795-F822 HydrophobicContact CB-CE1 3.69Å; P795-F822 HydrophobicContact CG-CE1 4.18Å; A798-F822 HydrophobicContact CB-CB 3.95Å; A798-F822 WeakPolarHBondContact O-CB 3.41Å; A798-F822 PolarHBondContact O-N 2.78Å; F822-C824 PolarHBondContact O-N 3.03Å; F822-L825 HydrophobicContact CD2-CD1 4.02Å; F822-L825 HydrophobicContact CG-CD1 4.48Å; F822-L825 VanDerWaalsContact O-CB 3.31Å; F822-L825 WeakPolarHBondContact O-CB 3.41Å; F822-L825 PolarHBondContact O-N 3.12Å; F822-I853 HydrophobicContact CE1-CG2 4.29Å; F822-I853 HydrophobicContact CE2-CD1 4.4Å; F822-I853 HydrophobicContact CE2-CG2 4.45Å; F822-I853 HydrophobicContact CZ-CD1 4.15Å; F822-I853 HydrophobicContact CZ-CG2 3.59Å
823	E	89.9	Confident	93.9	Very high	49 Å²	49	14 Å²	14	23%	0.229	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-67.9	-12.7	176.8	-65.8	-59.5	134.1	0	0	113.6	H395 P795 P821 R856	H395-E823 PolarHBondContact NE2-O 2.72Å; P795-E823 VanDerWaalsContact CB-OE1 3.25Å; P795-E823 WeakPolarHBondContact CB-OE1 3.28Å; P821-E823 VanDerWaalsContact C-N 3.32Å; P821-E823 PolarHBondContact O-N 2.95Å; E823-R856 VanDerWaalsContact O-CZ 3.24Å; E823-R856 PolarHBondContact O-NH1 3.32Å; E823-R856 PolarHBondContact O-NH2 2.6Å; E823-R856 IonicContact OE2-CZ 3.76Å; E823-R856 VanDerWaalsContact OE2-CZ 3.25Å; E823-R856 IonicContact OE2-NE 3.97Å; E823-R856 PolarHBondContact OE2-NE 3.35Å; E823-R856 VanDerWaalsContact OE2-NE 3.12Å; E823-R856 IonicContact OE2-NH2 2.69Å; E823-R856 PolarHBondContact OE2-NH2 3.28Å
824	C	94.9	Very high	94.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-88.8	-2.8	172.3	-61.6	0	0	0	0	113.3	F391 D392 H395 Q693 I820 P821 F822	F391-C824 HydrophobicContact CD2-CB 3.83Å; F391-C824 HydrophobicContact CE2-CB 3.67Å; F391-C824 HydrophobicContact CG-CB 4.47Å; F391-C824 HydrophobicContact CZ-CB 4.19Å; D392-C824 WeakPolarHBondContact CB-O 3.32Å; D392-C824 PolarHBondContact N-O 3.1Å; H395-C824 PolarHBondContact ND1-SG 3.38Å; H395-C824 VanDerWaalsContact ND1-SG 3.4Å; Q693-C824 WeakPolarHBondContact CB-SG 3.42Å; I820-C824 HydrophobicContact CD1-CB 4.2Å; I820-C824 HydrophobicContact CG1-CB 3.85Å; P821-C824 HydrophobicContact CB-CB 4.38Å; P821-C824 WeakPolarHBondContact O-CA 3.45Å; P821-C824 WeakPolarHBondContact O-CB 3.36Å; P821-C824 PolarHBondContact O-N 2.77Å; F822-C824 PolarHBondContact O-N 3.03Å
825	L	93.3	Very high	94.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-76.6	123.3	179.2	-71.6	166.1	0	0	0	112	I390 L729 V800 I820 F822 I853 R856	I390-L825 HydrophobicContact CD1-CD2 3.85Å; I390-L825 HydrophobicContact CG1-CD2 3.93Å; L729-L825 HydrophobicContact CD1-CD1 4.2Å; V800-L825 HydrophobicContact CB-CD1 4.41Å; V800-L825 HydrophobicContact CG2-CD1 3.72Å; I820-L825 HydrophobicContact CD1-CD2 3.96Å; I820-L825 HydrophobicContact CD1-CG 4.44Å; I820-L825 HydrophobicContact CG1-CD2 4.23Å; I820-L825 HydrophobicContact CG1-CG 4.42Å; I820-L825 HydrophobicContact CG2-CD2 3.74Å; I820-L825 HydrophobicContact CG2-CG 4.43Å; F822-L825 HydrophobicContact CD2-CD1 4.02Å; F822-L825 HydrophobicContact CG-CD1 4.48Å; F822-L825 VanDerWaalsContact O-CB 3.31Å; F822-L825 WeakPolarHBondContact O-CB 3.41Å; F822-L825 PolarHBondContact O-N 3.12Å; L825-I853 HydrophobicContact CB-CD1 4.05Å; L825-R856 PolarHBondContact O-NH1 3.36Å
826	Q	89.3	Confident	94.5	Very high	43 Å²	43	10.6 Å²	10.6	20%	0.201	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-88.1	138.6	166.8	-83.1	-82.2	-49	0	0	111.8	I390 D392	I390-Q826 PolarHBondContact O-N 3.49Å; D392-Q826 HydrophobicContact CB-CG 4.03Å; D392-Q826 PolarHBondContact OD2-NE2 2.89Å
827	P	87.3	Confident	94.2	Very high	19 Å²	19	14.3 Å²	14.3	12%	0.123	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-78.5	167.7	178.2	33.8	-36.2	0	0	0	113	R830 V851	P827-R830 VanDerWaalsContact O-CZ 3.25Å; P827-R830 PolarHBondContact O-NE 2.79Å; P827-R830 PolarHBondContact O-NH2 3.02Å; P827-V851 CarbonylContact C-O 3.55Å; P827-V851 WeakPolarHBondContact CA-O 3.23Å
828	G	87.3	Confident	93.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.9	-163.7	177.3	0	0	0	0	0	114.9	E344 R830 H850 V851	E344-G828 WeakPolarHBondContact O-CA 3.33Å; G828-R830 PolarHBondContact O-N 2.74Å; G828-H850 WeakPolarHBondContact O-CA 3.48Å; G828-V851 PolarHBondContact N-O 3.3Å; G828-V851 PolarHBondContact O-N 3.01Å
829	F	91.9	Very high	93.3	Very high	27 Å²	27	17.8 Å²	17.8	12%	0.118	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113.8	178.1	-64.9	-88.7	0	0	0	110	L321 F340 E344 Q345 L383 I734 F848 V849 H850	L321-F829 HydrophobicContact CD1-CD2 4.1Å; L321-F829 HydrophobicContact CD1-CE1 4.18Å; L321-F829 HydrophobicContact CD1-CE2 3.52Å; L321-F829 HydrophobicContact CD1-CZ 3.56Å; L321-F829 HydrophobicContact CD2-CB 4.3Å; L321-F829 HydrophobicContact CD2-CD1 3.73Å; L321-F829 HydrophobicContact CD2-CD2 3.78Å; L321-F829 HydrophobicContact CD2-CE1 3.94Å; L321-F829 HydrophobicContact CD2-CE2 4Å; L321-F829 HydrophobicContact CD2-CG 3.65Å; L321-F829 HydrophobicContact CD2-CZ 4.08Å; L321-F829 HydrophobicContact CG-CE2 4.42Å; L321-F829 HydrophobicContact CG-CZ 4.44Å; F340-F829 HydrophobicContact CE2-CD2 4.04Å; F340-F829 HydrophobicContact CE2-CE2 4.49Å; F340-F829 HydrophobicContact CZ-CD2 4.38Å; E344-F829 HydrophobicContact CB-CD2 4.14Å; E344-F829 HydrophobicContact CB-CE2 4.04Å; E344-F829 HydrophobicContact CG-CE2 4.33Å; Q345-F829 PolarHBondContact NE2-O 2.83Å; Q345-F829 PolarHBondContact OE1-O 2.84Å; L383-F829 HydrophobicContact CD2-CB 4.11Å; I734-F829 HydrophobicContact CD1-CD1 3.7Å; I734-F829 HydrophobicContact CD1-CE1 3.75Å; F829-F848 HydrophobicContact CB-CE2 3.93Å; F829-F848 HydrophobicContact CB-CZ 3.97Å; F829-F848 HydrophobicContact CD1-CE1 4.3Å; F829-F848 HydrophobicContact CD1-CE2 4.42Å; F829-F848 AromaticContact CD1-CZ 3.77Å; F829-F848 HydrophobicContact CD1-CZ 3.77Å; F829-F848 HydrophobicContact CG-CZ 4.27Å; F829-V849 CarbonylContact C-O 3.49Å; F829-V849 WeakPolarHBondContact CA-O 3.5Å; F829-H850 HydrophobicContact CD1-CB 3.91Å; F829-H850 AromaticContact CD2-CD2 3.69Å; F829-H850 HydrophobicContact CE1-CB 3.86Å; F829-H850 AromaticContact CE1-CD2 3.95Å; F829-H850 AromaticContact CE2-CD2 3.51Å; F829-H850 HydrophobicContact CG-CB 4.47Å; F829-H850 AromaticContact CG-CD2 3.97Å; F829-H850 HydrophobicContact CZ-CB 4.37Å; F829-H850 AromaticContact CZ-CD2 3.65Å
830	R	95.5	Very high	93	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.1	-172.8	-58.4	-62.2	174	150.7	-9.4	111.5	Q345 E387 C388 H389 I390 P827 G828 V849	Q345-R830 PolarHBondContact O-NH2 3.49Å; E387-R830 PolarHBondContact O-NH1 3.04Å; C388-R830 VanDerWaalsContact O-CA 3.29Å; C388-R830 WeakPolarHBondContact O-CA 3.21Å; C388-R830 VanDerWaalsContact O-CD 3.26Å; C388-R830 WeakPolarHBondContact O-CD 3.32Å; H389-R830 PolarHBondContact O-NH1 2.91Å; I390-R830 HydrophobicContact CB-CB 3.96Å; I390-R830 HydrophobicContact CB-CG 4.49Å; I390-R830 HydrophobicContact CG1-CB 4.32Å; P827-R830 VanDerWaalsContact O-CZ 3.25Å; P827-R830 PolarHBondContact O-NE 2.79Å; P827-R830 PolarHBondContact O-NH2 3.02Å; G828-R830 PolarHBondContact O-N 2.74Å; R830-V849 HydrophobicContact CB-CG2 4.35Å; R830-V849 PolarHBondContact N-O 2.88Å; R830-V849 PolarHBondContact O-N 2.73Å
831	H	95.3	Very high	92.8	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.6	165	-73.1	96.9	0	0	0	111.1	R315 L383 M384 C388 I390 Q737 L846 L847 F848	R315-H831 PolarHBondContact NH1-NE2 2.81Å; L383-H831 PolarHBondContact O-ND1 3.2Å; M384-H831 VanDerWaalsContact SD-CE1 3.53Å; C388-H831 PolarHBondContact O-N 3.08Å; C388-H831 VanDerWaalsContact O-N 3.13Å; I390-H831 PolarHBondContact N-O 2.64Å; Q737-H831 PolarHBondContact OE1-CD2 2.89Å; Q737-H831 PolarHBondContact OE1-NE2 2.66Å; H831-L846 HydrophobicContact CB-CD1 4.37Å; H831-L847 CarbonylContact C-O 3.58Å; H831-L847 VanDerWaalsContact CA-O 3.3Å; H831-L847 WeakPolarHBondContact CA-O 3.43Å; H831-F848 AromaticContact CD2-CD2 3.8Å; H831-F848 AromaticContact CE1-CD2 3.42Å; H831-F848 VanDerWaalsContact CE1-CD2 3.42Å; H831-F848 WeakPolarHBondContact CE1-CD2 3.47Å; H831-F848 AromaticContact CE1-CE2 3.86Å; H831-F848 AromaticContact ND1-CD2 3.89Å; H831-F848 AromaticContact NE2-CD2 3.34Å; H831-F848 VanDerWaalsContact NE2-CD2 3.34Å; H831-F848 WeakPolarHBondContact NE2-CD2 3.23Å; H831-F848 AromaticContact NE2-CG 3.7Å
832	V	97.4	Very high	92.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.5	178.2	-169.5	0	0	0	0	108.2	I390 F802 Y818 L846 L847 V849	I390-V832 HydrophobicContact CB-CG2 4.19Å; I390-V832 HydrophobicContact CD1-CG2 3.61Å; I390-V832 HydrophobicContact CG1-CG2 4.5Å; I390-V832 HydrophobicContact CG2-CB 4.3Å; I390-V832 HydrophobicContact CG2-CG1 4.15Å; I390-V832 HydrophobicContact CG2-CG2 4.01Å; F802-V832 HydrophobicContact CD2-CG1 4.11Å; F802-V832 HydrophobicContact CG-CG1 4.48Å; Y818-V832 HydrophobicContact CD1-CG1 3.55Å; Y818-V832 HydrophobicContact CE1-CG1 4.4Å; Y818-V832 HydrophobicContact CG-CG1 3.66Å; V832-L846 CarbonylContact O-C 3.54Å; V832-L846 WeakPolarHBondContact O-CA 3.32Å; V832-L847 HydrophobicContact CB-CB 4.17Å; V832-L847 HydrophobicContact CG2-CB 4.45Å; V832-L847 PolarHBondContact N-O 3.23Å; V832-L847 PolarHBondContact O-N 3.05Å; V832-V849 HydrophobicContact CG2-CG1 4.08Å; V832-V849 HydrophobicContact CG2-CG2 3.68Å
833	P	95.9	Very high	92.5	Very high	22 Å²	22	35.9 Å²	35.9	14%	0.143	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.6	176.9	31.6	-32.9	0	0	0	110.5	H389 Y818 L841 L846	H389-P833 WeakPolarHBondContact NE2-CG 3.39Å; Y818-P833 WeakPolarHBondContact CD2-O 3.39Å; Y818-P833 HydrophobicContact CE2-CG 4.22Å; P833-L841 HydrophobicContact CB-CD2 4.01Å; P833-L841 HydrophobicContact CG-CD2 4.21Å; P833-L846 HydrophobicContact CB-CD2 3.88Å
834	L	96.9	Very high	92.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.6	180	-61.1	-174.3	0	0	0	111.9	F739 V804 L842 T845 L847	F739-L834 HydrophobicContact CD1-CD1 4.22Å; F739-L834 HydrophobicContact CE1-CD1 3.83Å; V804-L834 HydrophobicContact CB-CD1 4.02Å; V804-L834 HydrophobicContact CG2-CD1 3.44Å; V804-L834 VanDerWaalsContact CG2-CD1 3.44Å; V804-L834 HydrophobicContact CG2-CD2 4.33Å; L834-L842 HydrophobicContact CB-CD1 4.07Å; L834-L842 WeakPolarHBondContact O-CB 3.32Å; L834-L842 PolarHBondContact O-N 3.26Å; L834-T845 HydrophobicContact CB-CG2 4.1Å; L834-T845 HydrophobicContact CD1-CG2 3.98Å; L834-T845 HydrophobicContact CG-CG2 4.38Å; L834-T845 PolarHBondContact N-O 3.44Å; L834-L847 HydrophobicContact CD2-CD1 4.05Å; L834-L847 HydrophobicContact CD2-CG 4.2Å
835	Q	95.9	Very high	92.5	Very high	15 Å²	15	38.7 Å²	38.7	7%	0.07	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.1	178.1	-64	175.3	-63.4	0	0	110.3	R692 G816 Q817 Y818 G839 E840 L841	R692-Q835 VanDerWaalsContact CZ-OE1 3.24Å; R692-Q835 VanDerWaalsContact NH2-NE2 3.16Å; G816-Q835 CarbonylContact C-O 3.53Å; G816-Q835 WeakPolarHBondContact CA-O 3.27Å; Q817-Q835 PolarHBondContact N-O 2.97Å; Q817-Q835 WeakPolarHBondContact O-CB 3.38Å; Q817-Q835 PolarHBondContact O-N 2.87Å; Y818-Q835 HydrophobicContact CD2-CG 4.3Å; Q835-G839 PolarHBondContact NE2-O 2.93Å; Q835-E840 CarbonylContact C-O 3.58Å; Q835-E840 WeakPolarHBondContact CA-O 3.39Å; Q835-L841 HydrophobicContact CG-CD2 3.81Å; Q835-L841 HydrophobicContact CG-CG 4.38Å
836	S	93.7	Very high	92.6	Very high	19 Å²	19	40 Å²	40	13%	0.133	22%	0.218	C	C	.	.			trans	-64.6	170.4	170.7	72.1	0	0	0	0	110.9	T838 G839 E840	S836-T838 PolarHBondContact O-N 3.5Å; S836-T838 VanDerWaalsContact O-N 3.09Å; S836-T838 PolarHBondContact OG-N 3.48Å; S836-T838 PolarHBondContact OG-OG1 3.02Å; S836-G839 PolarHBondContact O-N 3.48Å; S836-E840 PolarHBondContact N-O 3.23Å; S836-E840 PolarHBondContact OG-N 3.15Å; S836-E840 PolarHBondContact OG-O 2.91Å
837	L	90.9	Very high	93	Very high	78 Å²	78	37.9 Å²	37.9	41%	0.408	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.1	175.5	-167.4	66.6	0	0	0	112.6	P680 G681 F814	P680-L837 HydrophobicContact CB-CG 4.21Å; P680-L837 WeakPolarHBondContact CB-O 3.5Å; G681-L837 PolarHBondContact N-O 3.45Å; F814-L837 HydrophobicContact CD1-CB 4.14Å; F814-L837 HydrophobicContact CD1-CD1 4.38Å; F814-L837 HydrophobicContact CD2-CD1 4.38Å; F814-L837 HydrophobicContact CE1-CB 3.94Å; F814-L837 HydrophobicContact CE1-CD1 4.32Å; F814-L837 VanDerWaalsContact CE1-N 3.35Å; F814-L837 HydrophobicContact CE2-CD1 4.3Å; F814-L837 HydrophobicContact CG-CD1 4.4Å; F814-L837 HydrophobicContact CZ-CD1 4.27Å
838	T	89.2	Confident	93.4	Very high	69 Å²	69	37 Å²	37	42%	0.423	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.3	177.4	54	0	0	0	0	114.2	P680 S836 E840	P680-T838 HydrophobicContact CB-CG2 4.42Å; S836-T838 PolarHBondContact O-N 3.5Å; S836-T838 VanDerWaalsContact O-N 3.09Å; S836-T838 PolarHBondContact OG-N 3.48Å; S836-T838 PolarHBondContact OG-OG1 3.02Å; T838-E840 PolarHBondContact OG1-OE2 3.46Å
839	G	88.3	Confident	93.9	Very high	17 Å²	17	37 Å²	37	18%	0.175	20%	0.202	C	C	.	.	S	Bend	trans	87.9	2.9	-178	0	0	0	0	0	115.2	Q835 S836	Q835-G839 PolarHBondContact NE2-O 2.93Å; S836-G839 PolarHBondContact O-N 3.48Å
840	E	91.3	Very high	93.9	Very high	131 Å²	131	37.3 Å²	37.3	61%	0.612	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-75.7	137.7	177.9	-61.2	174.8	144.9	0	0	110.9	Q835 S836 T838 L842	Q835-E840 CarbonylContact C-O 3.58Å; Q835-E840 WeakPolarHBondContact CA-O 3.39Å; S836-E840 PolarHBondContact N-O 3.23Å; S836-E840 PolarHBondContact OG-N 3.15Å; S836-E840 PolarHBondContact OG-O 2.91Å; T838-E840 PolarHBondContact OG1-OE2 3.46Å; E840-L842 PolarHBondContact O-N 2.96Å
841	L	93.4	Very high	93.7	Very high	112 Å²	112	37.2 Å²	37.2	59%	0.586	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.9	178.2	-72.5	163.6	0	0	0	111.7	P833 Q835	P833-L841 HydrophobicContact CB-CD2 4.01Å; P833-L841 HydrophobicContact CG-CD2 4.21Å; Q835-L841 HydrophobicContact CG-CD2 3.81Å; Q835-L841 HydrophobicContact CG-CG 4.38Å
842	L	93.6	Very high	93.2	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.168	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.2	178.6	-65.4	173.2	0	0	0	110.3	P740 I815 L834 E840 H844 T845	P740-L842 HydrophobicContact CG-CD1 4.35Å; I815-L842 WeakPolarHBondContact O-CD1 3.43Å; L834-L842 HydrophobicContact CB-CD1 4.07Å; L834-L842 WeakPolarHBondContact O-CB 3.32Å; L834-L842 PolarHBondContact O-N 3.26Å; E840-L842 PolarHBondContact O-N 2.96Å; L842-H844 PolarHBondContact O-N 3.1Å; L842-T845 HydrophobicContact CB-CG2 4.17Å; L842-T845 HydrophobicContact CD1-CG2 4.24Å; L842-T845 PolarHBondContact O-N 3.1Å; L842-T845 VanDerWaalsContact O-N 3.16Å
843	P	90.8	Very high	92.4	Very high	107 Å²	107	37.3 Å²	37.3	70%	0.695	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61	119.9	-172.3	-27.3	36.1	0	0	0	114.4	T845	P843-T845 PolarHBondContact O-N 3.04Å; P843-T845 VanDerWaalsContact O-N 3.15Å; P843-T845 PolarHBondContact O-OG1 2.81Å
844	H	90	Very high	91.2	Very high	104 Å²	104	36.3 Å²	36.3	48%	0.481	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.7	7.1	-177.1	-48.2	-68.3	0	0	0	115.5	N738 L842 L846	N738-H844 WeakPolarHBondContact CB-O 3.48Å; L842-H844 PolarHBondContact O-N 3.1Å; H844-L846 PolarHBondContact O-N 2.69Å
845	T	94.6	Very high	89.1	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	107.3	-178.4	-53.5	0	0	0	0	110.1	Q737 N738 F739 L834 L842 P843	Q737-T845 WeakPolarHBondContact O-CA 3.39Å; N738-T845 WeakPolarHBondContact O-CG2 3.41Å; N738-T845 PolarHBondContact O-OG1 2.87Å; F739-T845 HydrophobicContact CD1-CG2 3.81Å; L834-T845 HydrophobicContact CB-CG2 4.1Å; L834-T845 HydrophobicContact CD1-CG2 3.98Å; L834-T845 HydrophobicContact CG-CG2 4.38Å; L834-T845 PolarHBondContact N-O 3.44Å; L842-T845 HydrophobicContact CB-CG2 4.17Å; L842-T845 HydrophobicContact CD1-CG2 4.24Å; L842-T845 PolarHBondContact O-N 3.1Å; L842-T845 VanDerWaalsContact O-N 3.16Å; P843-T845 PolarHBondContact O-N 3.04Å; P843-T845 VanDerWaalsContact O-N 3.15Å; P843-T845 PolarHBondContact O-OG1 2.81Å
846	L	95.6	Very high	86.7	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.5	-170.6	-53.8	177.4	0	0	0	112.1	M384 G736 Q737 H831 V832 P833 H844	M384-L846 HydrophobicContact CE-CD1 3.52Å; M384-L846 HydrophobicContact SD-CD1 3.93Å; G736-L846 CarbonylContact C-O 3.53Å; G736-L846 WeakPolarHBondContact CA-O 3.46Å; Q737-L846 HydrophobicContact CB-CB 4.29Å; Q737-L846 PolarHBondContact N-O 3.35Å; Q737-L846 PolarHBondContact O-N 3.09Å; Q737-L846 VanDerWaalsContact O-N 3.13Å; H831-L846 HydrophobicContact CB-CD1 4.37Å; V832-L846 CarbonylContact O-C 3.54Å; V832-L846 WeakPolarHBondContact O-CA 3.32Å; P833-L846 HydrophobicContact CB-CD2 3.88Å; H844-L846 PolarHBondContact O-N 2.69Å
847	L	97.6	Very high	84.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.6	153	-63.8	169.2	0	0	0	109.4	F739 V756 F784 F802 V804 H831 V832 L834 V849	F739-L847 HydrophobicContact CE1-CD2 4.13Å; F739-L847 HydrophobicContact CZ-CD2 3.7Å; V756-L847 HydrophobicContact CG1-CD1 3.93Å; V756-L847 HydrophobicContact CG2-CD2 3.89Å; F784-L847 HydrophobicContact CE2-CD2 4.46Å; F802-L847 HydrophobicContact CB-CD1 4.07Å; F802-L847 HydrophobicContact CD1-CD1 4.25Å; F802-L847 HydrophobicContact CG-CD1 4.45Å; V804-L847 HydrophobicContact CG2-CD1 4.14Å; V804-L847 HydrophobicContact CG2-CD2 4.06Å; V804-L847 HydrophobicContact CG2-CG 4.33Å; H831-L847 CarbonylContact C-O 3.58Å; H831-L847 VanDerWaalsContact CA-O 3.3Å; H831-L847 WeakPolarHBondContact CA-O 3.43Å; V832-L847 HydrophobicContact CB-CB 4.17Å; V832-L847 HydrophobicContact CG2-CB 4.45Å; V832-L847 PolarHBondContact N-O 3.23Å; V832-L847 PolarHBondContact O-N 3.05Å; L834-L847 HydrophobicContact CD2-CD1 4.05Å; L834-L847 HydrophobicContact CD2-CG 4.2Å; L847-V849 HydrophobicContact CB-CG1 4.08Å
848	F	96.7	Very high	81.3	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.7	165.3	-176.9	-128.1	0	0	0	108.8	R315 E317 I318 L321 L383 I734 S735 F829 H831	R315-F848 VanDerWaalsContact NH2-CB 3.27Å; E317-F848 HydrophobicContact CG-CD1 3.94Å; E317-F848 HydrophobicContact CG-CE1 4.03Å; I318-F848 HydrophobicContact CG1-CE1 4.15Å; I318-F848 HydrophobicContact CG1-CZ 4.31Å; L321-F848 HydrophobicContact CD2-CZ 4.39Å; L383-F848 HydrophobicContact CD1-CE2 4.38Å; L383-F848 HydrophobicContact CD1-CZ 4.2Å; I734-F848 HydrophobicContact CB-CD1 3.88Å; I734-F848 HydrophobicContact CB-CE1 4.49Å; I734-F848 WeakPolarHBondContact CB-O 3.41Å; I734-F848 HydrophobicContact CD1-CD1 3.78Å; I734-F848 HydrophobicContact CD1-CE1 3.66Å; I734-F848 HydrophobicContact CD1-CG 4.48Å; I734-F848 HydrophobicContact CD1-CZ 4.29Å; I734-F848 HydrophobicContact CG1-CD1 4.42Å; I734-F848 HydrophobicContact CG2-CD1 3.96Å; I734-F848 HydrophobicContact CG2-CE1 4.32Å; I734-F848 PolarHBondContact N-O 3.26Å; S735-F848 PolarHBondContact N-O 3.31Å; S735-F848 PolarHBondContact O-N 3.47Å; F829-F848 HydrophobicContact CB-CE2 3.93Å; F829-F848 HydrophobicContact CB-CZ 3.97Å; F829-F848 HydrophobicContact CD1-CE1 4.3Å; F829-F848 HydrophobicContact CD1-CE2 4.42Å; F829-F848 AromaticContact CD1-CZ 3.77Å; F829-F848 HydrophobicContact CD1-CZ 3.77Å; F829-F848 HydrophobicContact CG-CZ 4.27Å; H831-F848 AromaticContact CD2-CD2 3.8Å; H831-F848 AromaticContact CE1-CD2 3.42Å; H831-F848 VanDerWaalsContact CE1-CD2 3.42Å; H831-F848 WeakPolarHBondContact CE1-CD2 3.47Å; H831-F848 AromaticContact CE1-CE2 3.86Å; H831-F848 AromaticContact ND1-CD2 3.89Å; H831-F848 AromaticContact NE2-CD2 3.34Å; H831-F848 VanDerWaalsContact NE2-CD2 3.34Å; H831-F848 WeakPolarHBondContact NE2-CD2 3.23Å; H831-F848 AromaticContact NE2-CG 3.7Å
849	V	96.7	Very high	78.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	-172.3	-54.8	0	0	0	0	111	I390 K732 I733 F802 F829 R830 V832 L847 V851	I390-V849 HydrophobicContact CD1-CG2 4.08Å; K732-V849 CarbonylContact O-C 3.54Å; K732-V849 WeakPolarHBondContact O-CA 3.34Å; K732-V849 WeakPolarHBondContact O-CB 3.44Å; I733-V849 HydrophobicContact CD1-CG1 3.7Å; F802-V849 HydrophobicContact CE1-CG1 4.28Å; F829-V849 CarbonylContact C-O 3.49Å; F829-V849 WeakPolarHBondContact CA-O 3.5Å; R830-V849 HydrophobicContact CB-CG2 4.35Å; R830-V849 PolarHBondContact N-O 2.88Å; R830-V849 PolarHBondContact O-N 2.73Å; V832-V849 HydrophobicContact CG2-CG1 4.08Å; V832-V849 HydrophobicContact CG2-CG2 3.68Å; L847-V849 HydrophobicContact CB-CG1 4.08Å; V849-V851 HydrophobicContact CG2-CG2 4.02Å
850	H	92.9	Very high	75.9	Confident	34 Å²	34	43 Å²	43	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.1	165.6	173.4	-86.6	0	0	0	110.4	I731 K732 I734 G828 F829	I731-H850 WeakPolarHBondContact CA-O 3.2Å; K732-H850 HydrophobicContact CB-CB 4.29Å; K732-H850 PolarHBondContact N-O 2.91Å; K732-H850 PolarHBondContact O-N 3.31Å; I734-H850 HydrophobicContact CD1-CB 4.14Å; G828-H850 WeakPolarHBondContact O-CA 3.48Å; F829-H850 HydrophobicContact CD1-CB 3.91Å; F829-H850 AromaticContact CD2-CD2 3.69Å; F829-H850 HydrophobicContact CE1-CB 3.86Å; F829-H850 AromaticContact CE1-CD2 3.95Å; F829-H850 AromaticContact CE2-CD2 3.51Å; F829-H850 HydrophobicContact CG-CB 4.47Å; F829-H850 AromaticContact CG-CD2 3.97Å; F829-H850 HydrophobicContact CZ-CB 4.37Å; F829-H850 AromaticContact CZ-CD2 3.65Å
851	V	92.1	Very high	73	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130	-177.7	-177	0	0	0	0	109.8	I390 L729 P827 G828 V849 I853	I390-V851 HydrophobicContact CD1-CG2 4.04Å; L729-V851 HydrophobicContact CD1-CG1 4.04Å; P827-V851 CarbonylContact C-O 3.55Å; P827-V851 WeakPolarHBondContact CA-O 3.23Å; G828-V851 PolarHBondContact N-O 3.3Å; G828-V851 PolarHBondContact O-N 3.01Å; V849-V851 HydrophobicContact CG2-CG2 4.02Å; V851-I853 HydrophobicContact CG1-CD1 4.31Å; V851-I853 HydrophobicContact CG1-CG1 4.15Å
852	A	83.9	Confident	70	Confident	9 Å²	9	35.9 Å²	35.9	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.9	168.9	0	0	0	0	0	110.9	H730 V926	H730-A852 HydrophobicContact CB-CB 4.42Å; H730-A852 PolarHBondContact N-O 3.03Å; H730-A852 PolarHBondContact O-N 3.18Å; A852-V926 HydrophobicContact CB-CG1 3.56Å
853	I	80.5	Confident	66.9	Low	3 Å²	3	37.9 Å²	37.9	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.1	-171	-54.8	179.7	0	0	0	110.2	Q727 L729 F822 L825 V851 R856 G858 G859	Q727-I853 HydrophobicContact CB-CG2 4.44Å; L729-I853 HydrophobicContact CD1-CD1 4.36Å; L729-I853 HydrophobicContact CD1-CG1 3.97Å; F822-I853 HydrophobicContact CE1-CG2 4.29Å; F822-I853 HydrophobicContact CE2-CD1 4.4Å; F822-I853 HydrophobicContact CE2-CG2 4.45Å; F822-I853 HydrophobicContact CZ-CD1 4.15Å; F822-I853 HydrophobicContact CZ-CG2 3.59Å; L825-I853 HydrophobicContact CB-CD1 4.05Å; V851-I853 HydrophobicContact CG1-CD1 4.31Å; V851-I853 HydrophobicContact CG1-CG1 4.15Å; I853-R856 HydrophobicContact CB-CB 4.12Å; I853-R856 HydrophobicContact CG2-CB 3.83Å; I853-G858 CarbonylContact O-C 3.6Å; I853-G859 WeakPolarHBondContact O-CA 3.34Å; I853-G859 PolarHBondContact O-N 3.44Å
854	T	69.9	Low	64	Low	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-70.9	142.6	177.4	65.9	0	0	0	0	112.2	Q727 L728 R856 G859 G860	Q727-T854 WeakPolarHBondContact CA-OG1 3.31Å; Q727-T854 WeakPolarHBondContact CG-O 3.34Å; Q727-T854 PolarHBondContact OE1-O 3.25Å; L728-T854 HydrophobicContact CB-CG2 3.63Å; L728-T854 HydrophobicContact CD2-CG2 4.44Å; L728-T854 PolarHBondContact N-OG1 3.05Å; L728-T854 PolarHBondContact O-N 3.27Å; T854-R856 PolarHBondContact O-N 3.2Å; T854-G859 WeakPolarHBondContact CA-O 3.31Å; T854-G859 VanDerWaalsContact CG2-O 3.27Å; T854-G859 WeakPolarHBondContact CG2-O 3.4Å; T854-G860 WeakPolarHBondContact CA-O 3.13Å; T854-G860 VanDerWaalsContact CB-C 3.44Å; T854-G860 WeakPolarHBondContact CB-O 3.26Å; T854-G860 VanDerWaalsContact CG2-C 3.43Å
855	N	54.4	Low	61.1	Low	28 Å²	28	41.3 Å²	41.3	15%	0.15	20%	0.195	C	C	.	.	S	Bend	trans	62.5	-18.4	-179.9	-51.1	-42	0	0	0	117.3	S725 G860 K861	S725-N855 PolarHBondContact OG-ND2 3.08Å; N855-G860 PolarHBondContact N-O 3.41Å; N855-G860 PolarHBondContact OD1-O 3.35Å; N855-K861 WeakPolarHBondContact OD1-CE 3.4Å; N855-K861 VanDerWaalsContact OD1-CG 3.23Å; N855-K861 WeakPolarHBondContact OD1-CG 3.38Å; N855-K861 PolarHBondContact OD1-NZ 2.77Å
856	R	45.7	Very low	57.9	Low	66 Å²	66	44.6 Å²	44.6	25%	0.249	23%	0.23	C	C	.	.	S	Bend	trans	-67.3	169.4	157.3	-127	173.3	-171.8	-124	-10.3	109.2	E823 L825 I853 T854 G858	E823-R856 VanDerWaalsContact O-CZ 3.24Å; E823-R856 PolarHBondContact O-NH1 3.32Å; E823-R856 PolarHBondContact O-NH2 2.6Å; E823-R856 IonicContact OE2-CZ 3.76Å; E823-R856 VanDerWaalsContact OE2-CZ 3.25Å; E823-R856 IonicContact OE2-NE 3.97Å; E823-R856 PolarHBondContact OE2-NE 3.35Å; E823-R856 VanDerWaalsContact OE2-NE 3.12Å; E823-R856 IonicContact OE2-NH2 2.69Å; E823-R856 PolarHBondContact OE2-NH2 3.28Å; L825-R856 PolarHBondContact O-NH1 3.36Å; I853-R856 HydrophobicContact CB-CB 4.12Å; I853-R856 HydrophobicContact CG2-CB 3.83Å; T854-R856 PolarHBondContact O-N 3.2Å; R856-G858 PolarHBondContact O-N 2.94Å
857	R	37.1	Very low	54.5	Low	192 Å²	192	51 Å²	51	73%	0.725	26%	0.264	S	S	*	.	S	Bend	trans	-60.6	100	177.9	-85.3	-165.6	-81.6	-133.8	1.9	110
858	G	33.6	Very low	51.2	Low	30 Å²	30	57 Å²	57	31%	0.309	31%	0.305	S	S	.	.	S	Bend	trans	94.9	85.9	-179.2	0	0	0	0	0	115.4	I853 R856	I853-G858 CarbonylContact O-C 3.6Å; R856-G858 PolarHBondContact O-N 2.94Å
859	G	30.6	Very low	47.8	Very low	10 Å²	10	62.9 Å²	62.9	10%	0.103	34%	0.341	C	S	.	.			trans	155.1	43.6	146.1	0	0	0	0	0	122.8	I853 T854 V926	I853-G859 WeakPolarHBondContact O-CA 3.34Å; I853-G859 PolarHBondContact O-N 3.44Å; T854-G859 WeakPolarHBondContact CA-O 3.31Å; T854-G859 VanDerWaalsContact CG2-O 3.27Å; T854-G859 WeakPolarHBondContact CG2-O 3.4Å; G859-V926 CarbonylContact C-O 3.5Å; G859-V926 WeakPolarHBondContact CA-O 3.41Å
860	G	33	Very low	44.5	Very low	11 Å²	11	73.8 Å²	73.8	11%	0.113	38%	0.382	C	S	.	.			trans	94.5	-153.5	161.6	0	0	0	0	0	117.6	T854 N855 A925 V926	T854-G860 WeakPolarHBondContact CA-O 3.13Å; T854-G860 VanDerWaalsContact CB-C 3.44Å; T854-G860 WeakPolarHBondContact CB-O 3.26Å; T854-G860 VanDerWaalsContact CG2-C 3.43Å; N855-G860 PolarHBondContact N-O 3.41Å; N855-G860 PolarHBondContact OD1-O 3.35Å; G860-A925 WeakPolarHBondContact CA-O 3.49Å; G860-V926 PolarHBondContact N-O 2.91Å
861	K	31.1	Very low	41.5	Very low	45 Å²	45	83 Å²	83	20%	0.196	42%	0.422	C	S	.	.			trans	-148.3	157.9	173.6	-81.1	-145.1	-175.7	62.7	0	110.5	N855 H863 Q911 E1053	N855-K861 WeakPolarHBondContact OD1-CE 3.4Å; N855-K861 VanDerWaalsContact OD1-CG 3.23Å; N855-K861 WeakPolarHBondContact OD1-CG 3.38Å; N855-K861 PolarHBondContact OD1-NZ 2.77Å; K861-H863 PolarHBondContact O-N 2.89Å; K861-Q911 HydrophobicContact CB-CG 4.27Å; K861-Q911 HydrophobicContact CD-CG 3.88Å; K861-Q911 VanDerWaalsContact CD-OE1 3.31Å; K861-Q911 HydrophobicContact CG-CG 4.36Å; K861-E1053 IonicContact NZ-OE1 3.22Å; K861-E1053 PolarHBondContact NZ-OE1 2.8Å; K861-E1053 IonicContact NZ-OE2 2.75Å; K861-E1053 PolarHBondContact NZ-OE2 2.89Å
862	P	29.7	Very low	38.5	Very low	50 Å²	50	85.8 Å²	85.8	33%	0.325	45%	0.45	S	S	.	.			trans	-55.6	128.2	-165.1	16.4	-32.8	0	0	0	115.6	L728	L728-P862 HydrophobicContact CB-CB 4.21Å; L728-P862 HydrophobicContact CD1-CB 4.36Å
863	H	29.1	Very low	36.1	Very low	74 Å²	74	95.6 Å²	95.6	34%	0.343	49%	0.491	S	S	.	.			trans	-87.2	155.4	163.5	-152.2	72.9	0	0	0	110.2	K861	K861-H863 PolarHBondContact O-N 2.89Å
864	K	28.5	Very low	34.2	Very low	153 Å²	153	102.9 Å²	102.9	67%	0.665	52%	0.523	S	S	*	.			trans	-128.6	103.6	-177	-76.4	178.6	176.2	170.1	0	111.2
865	R	30.1	Very low	33.4	Very low	129 Å²	129	107.5 Å²	107.5	49%	0.487	56%	0.555	S	S	.	*			trans	-134.8	95.9	161.3	-70.2	-167.5	-173.8	-121.4	1	110.5	D184	D184-R865 IonicContact OD1-CZ 3.56Å; D184-R865 IonicContact OD1-NH1 2.71Å; D184-R865 PolarHBondContact OD1-NH1 3.49Å; D184-R865 IonicContact OD2-NH1 3.34Å
866	G	27.8	Very low	34.1	Very low	75 Å²	75	109.5 Å²	109.5	77%	0.773	56%	0.561	S	S	*	*	S	Bend	trans	-158.3	5.3	179.7	0	0	0	0	0	114.9
867	L	23.7	Very low	35.1	Very low	161 Å²	161	112.6 Å²	112.6	84%	0.843	58%	0.578	S	S	*	*	S	Bend	trans	-166.8	138.2	168.8	-111.7	169	0	0	0	109.8	V869	L867-V869 PolarHBondContact O-N 3.36Å
868	S	27.5	Very low	37.1	Very low	125 Å²	125	107.7 Å²	107.7	87%	0.874	56%	0.56	S	S	*	*			trans	-77.2	90.4	177.4	-173	0	0	0	0	111.2
869	V	25.9	Very low	39.2	Very low	124 Å²	124	107.3 Å²	107.3	75%	0.752	55%	0.554	S	S	*	*			trans	-104.2	126.8	159.9	-173.8	0	0	0	0	107.7	L867	L867-V869 PolarHBondContact O-N 3.36Å
870	R	27.8	Very low	41.5	Very low	230 Å²	230	110.9 Å²	110.9	87%	0.868	58%	0.577	S	S	*	*			trans	-51.9	160.6	172.9	-65.6	172.1	172.8	169.1	-3.3	110.5	G872	R870-G872 PolarHBondContact O-N 2.54Å
871	K	30.1	Very low	44	Very low	228 Å²	228	112.5 Å²	112.5	99%	0.991	58%	0.582	S	S	*	*	S	Bend	trans	-64.5	65.3	165.9	-78.2	-170	173.7	-176.8	0	112.6
872	G	28	Very low	46.8	Very low	58 Å²	58	114 Å²	114	60%	0.598	59%	0.587	S	S	*	*			trans	-81.3	143.7	148.1	0	0	0	0	0	108.1	R870 K874	R870-G872 PolarHBondContact O-N 2.54Å; G872-K874 PolarHBondContact O-N 3.12Å; G872-K874 VanDerWaalsContact O-N 3.09Å
873	K	34.1	Very low	49.6	Very low	215 Å²	215	116.8 Å²	116.8	94%	0.935	60%	0.603	S	S	*	*			trans	-60.4	113.8	165.9	-70.6	179	174.1	-177.6	0	107.6
874	K	41.3	Very low	52.4	Low	156 Å²	156	113.4 Å²	113.4	68%	0.678	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59.8	141.1	155.2	-90.6	-163.4	154.3	-140.5	0	107.4	G872 E877	G872-K874 PolarHBondContact O-N 3.12Å; G872-K874 VanDerWaalsContact O-N 3.09Å; K874-E877 IonicContact NZ-OE1 3.44Å; K874-E877 PolarHBondContact NZ-OE1 2.78Å
875	S	53.2	Low	55.2	Low	97 Å²	97	111.7 Å²	111.7	68%	0.678	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-60.6	154.1	167.2	-177.2	0	0	0	0	109.2	E877	S875-E877 PolarHBondContact O-N 3.39Å
876	R	67.8	Low	58	Low	71 Å²	71	105.7 Å²	105.7	27%	0.268	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-57.7	134.2	157.1	-70.8	-166	159.2	148.1	3	108.8	Y878 D905 E908 N909	R876-Y878 HydrophobicContact CB-CD2 4.29Å; R876-Y878 HydrophobicContact CB-CE1 4.01Å; R876-Y878 HydrophobicContact CB-CE2 3.71Å; R876-D905 WeakPolarHBondContact CD-OD1 3.36Å; R876-D905 IonicContact CZ-OD1 3.47Å; R876-D905 IonicContact NE-OD1 2.72Å; R876-D905 PolarHBondContact NE-OD1 3.12Å; R876-D905 VanDerWaalsContact NH1-CG 3.31Å; R876-D905 IonicContact NH1-OD1 2.65Å; R876-D905 PolarHBondContact NH1-OD1 3.03Å; R876-D905 IonicContact NH1-OD2 3.96Å; R876-E908 WeakPolarHBondContact CD-OE2 3.41Å; R876-E908 WeakPolarHBondContact CG-OE2 3.33Å; R876-E908 IonicContact CZ-OE2 2.95Å; R876-E908 IonicContact NE-OE2 3.87Å; R876-E908 PolarHBondContact NE-OE2 3.5Å; R876-E908 IonicContact NH2-OE2 3.58Å; R876-N909 PolarHBondContact NH2-OD1 2.93Å
877	E	67.6	Low	60.9	Low	130 Å²	130	108.9 Å²	108.9	61%	0.607	55%	0.552	S	S	*	*			trans	-99.5	85.2	-179.1	-73.5	168.4	-169.6	0	0	107.1	K874 S875	K874-E877 IonicContact NZ-OE1 3.44Å; K874-E877 PolarHBondContact NZ-OE1 2.78Å; S875-E877 PolarHBondContact O-N 3.39Å
878	Y	79.5	Confident	63.9	Low	90 Å²	90	103.9 Å²	103.9	35%	0.353	53%	0.533	S	S	.	.			trans	-76.4	142.2	-179	-56.5	-77.4	0	0	0	111.7	R876 S880 R901 T904	R876-Y878 HydrophobicContact CB-CD2 4.29Å; R876-Y878 HydrophobicContact CB-CE1 4.01Å; R876-Y878 HydrophobicContact CB-CE2 3.71Å; Y878-S880 PolarHBondContact O-N 2.96Å; Y878-R901 HydrophobicContact CD1-CB 4.24Å; Y878-R901 HydrophobicContact CD1-CG 3.79Å; Y878-R901 HydrophobicContact CE1-CB 4.24Å; Y878-R901 HydrophobicContact CE1-CG 4.1Å; Y878-R901 HydrophobicContact CG-CG 4.18Å; Y878-T904 HydrophobicContact CD1-CG2 4.03Å; Y878-T904 HydrophobicContact CE1-CG2 4.41Å
879	A	77	Confident	66.9	Low	22 Å²	22	97.9 Å²	97.9	18%	0.182	49%	0.492	C	S	.	.			trans	-56.5	133.6	173.9	0	0	0	0	0	111.7	I1039 Q1043	A879-I1039 HydrophobicContact CB-CD1 4.39Å; A879-I1039 HydrophobicContact CB-CG2 3.95Å; A879-Q1043 HydrophobicContact CB-CG 4.16Å
880	S	78.9	Confident	70.1	Confident	85 Å²	85	93 Å²	93	59%	0.594	46%	0.461	S	S	*	.			trans	-113.8	131.4	-177	60.5	0	0	0	0	112.1	Y878 W1035	Y878-S880 PolarHBondContact O-N 2.96Å; S880-W1035 PolarHBondContact O-NE1 2.9Å
881	M	85.6	Confident	73.1	Confident	44 Å²	44	87 Å²	87	22%	0.217	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-90.1	143.3	174	-72.3	175.2	-68.8	0	0	110.3	F893 A896 L897 L900 N1036 I1039 L1040	M881-F893 WeakPolarHBondContact CE-O 3.45Å; M881-F893 HydrophobicContact SD-CB 4.01Å; M881-F893 HydrophobicContact SD-CD1 4.13Å; M881-F893 HydrophobicContact SD-CG 4.42Å; M881-A896 HydrophobicContact CE-CB 4.2Å; M881-A896 HydrophobicContact SD-CB 4.32Å; M881-L897 HydrophobicContact CE-CB 4.42Å; M881-L900 HydrophobicContact CE-CD1 3.76Å; M881-L900 HydrophobicContact CG-CD1 4.49Å; M881-L900 HydrophobicContact SD-CD1 3.97Å; M881-N1036 VanDerWaalsContact CA-OD1 3.24Å; M881-N1036 WeakPolarHBondContact CA-OD1 3.18Å; M881-N1036 WeakPolarHBondContact CB-OD1 3.21Å; M881-N1036 HydrophobicContact CG-CB 4.32Å; M881-I1039 HydrophobicContact CG-CG2 4.43Å; M881-L1040 HydrophobicContact SD-CD2 4.46Å
882	R	89.4	Confident	76.1	Confident	76 Å²	76	77.4 Å²	77.4	29%	0.287	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-82.5	149.3	174.4	-65	173.8	-172.5	-172.5	3.4	109.3	L884 W1035 N1036	R882-L884 WeakPolarHBondContact O-CD1 3.37Å; R882-W1035 HydrophobicContact CG-CG 4.07Å; R882-W1035 VanDerWaalsContact NE-CG 3.29Å; R882-N1036 PolarHBondContact N-OD1 2.94Å; R882-N1036 PolarHBondContact O-ND2 2.98Å
883	V	88.6	Confident	79.2	Confident	109 Å²	109	74.9 Å²	74.9	66%	0.661	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-90.4	126.9	174.7	177.2	0	0	0	0	109	D890	V883-D890 WeakPolarHBondContact CA-OD1 3.31Å
884	L	88.6	Confident	81.9	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	36%	0.356	C	S	.	.			trans	-84.3	-21.8	-174.7	-76.3	65.7	0	0	0	112.6	R882 I886 V889 D890 F893 L1012 A1029 F1033 N1036	R882-L884 WeakPolarHBondContact O-CD1 3.37Å; L884-I886 VanDerWaalsContact C-N 3.3Å; L884-I886 HydrophobicContact CB-CB 4.32Å; L884-I886 HydrophobicContact CB-CD1 4.26Å; L884-I886 HydrophobicContact CB-CG1 4.15Å; L884-I886 HydrophobicContact CD2-CD1 4.44Å; L884-V889 HydrophobicContact CD2-CB 4.15Å; L884-V889 HydrophobicContact CD2-CG1 3.7Å; L884-D890 PolarHBondContact N-OD1 2.84Å; L884-F893 HydrophobicContact CD1-CD2 4.01Å; L884-F893 HydrophobicContact CD1-CE2 3.97Å; L884-F893 HydrophobicContact CD2-CE2 3.99Å; L884-L1012 HydrophobicContact CD2-CD1 4.35Å; L884-A1029 WeakPolarHBondContact O-CB 3.41Å; L884-F1033 HydrophobicContact CD2-CB 3.75Å; L884-F1033 HydrophobicContact CD2-CD2 3.88Å; L884-F1033 HydrophobicContact CD2-CG 4.33Å; L884-F1033 HydrophobicContact CG-CB 4.44Å; L884-N1036 WeakPolarHBondContact CD1-ND2 2.96Å
885	Q	87	Confident	84.4	Confident	117 Å²	117	66.9 Å²	66.9	55%	0.547	35%	0.348	S	S	.	.	S	Bend	trans	68.2	29.1	-167.4	-47.5	-174.6	-14.1	0	0	112.4	D890 L1021	Q885-D890 WeakPolarHBondContact CA-OD2 3.48Å; Q885-D890 PolarHBondContact N-OD2 3.32Å; Q885-L1021 HydrophobicContact CB-CD1 4.27Å; Q885-L1021 HydrophobicContact CB-CD2 4.24Å
886	I	88.3	Confident	86.2	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	32%	0.316	C	S	.	.			trans	-127.8	93.9	178.3	-50.7	171.6	0	0	0	107	L884 A888 V889 D890 L1012 L1015 A1016 E1019 L1021 A1029	L884-I886 VanDerWaalsContact C-N 3.3Å; L884-I886 HydrophobicContact CB-CB 4.32Å; L884-I886 HydrophobicContact CB-CD1 4.26Å; L884-I886 HydrophobicContact CB-CG1 4.15Å; L884-I886 HydrophobicContact CD2-CD1 4.44Å; I886-A888 VanDerWaalsContact C-N 3.33Å; I886-A888 PolarHBondContact O-N 2.76Å; I886-A888 VanDerWaalsContact O-N 3.12Å; I886-V889 HydrophobicContact CB-CB 4.46Å; I886-V889 HydrophobicContact CB-CG2 4.33Å; I886-V889 HydrophobicContact CG2-CB 4.46Å; I886-V889 HydrophobicContact CG2-CG2 3.84Å; I886-V889 PolarHBondContact O-N 3.37Å; I886-D890 PolarHBondContact N-OD2 3.15Å; I886-D890 PolarHBondContact O-N 3.21Å; I886-L1012 HydrophobicContact CD1-CD1 3.76Å; I886-L1015 HydrophobicContact CG2-CB 4.23Å; I886-A1016 HydrophobicContact CD1-CB 3.66Å; I886-A1016 HydrophobicContact CG1-CB 4.29Å; I886-E1019 HydrophobicContact CG2-CG 4.44Å; I886-L1021 HydrophobicContact CG1-CD1 4.09Å; I886-A1029 HydrophobicContact CD1-CB 4.35Å
887	K	88.2	Confident	87.2	Confident	142 Å²	142	62.6 Å²	62.6	62%	0.617	32%	0.323	S	S	*	.	H	α-helix	trans	-50.6	-47	-163.2	-64.3	170.8	-169.7	151	0	114.1	V889 D890 E891 E1019	K887-V889 VanDerWaalsContact C-N 3.31Å; K887-V889 PolarHBondContact O-N 3.4Å; K887-D890 PolarHBondContact O-N 3.47Å; K887-E891 WeakPolarHBondContact O-CG 3.34Å; K887-E891 PolarHBondContact O-N 2.84Å; K887-E1019 IonicContact NZ-OE2 3.44Å
888	A	88.6	Confident	88.4	Confident	55 Å²	55	61.6 Å²	61.6	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-42.9	-179.5	0	0	0	0	0	112.5	I886 V892 F1008	I886-A888 VanDerWaalsContact C-N 3.33Å; I886-A888 PolarHBondContact O-N 2.76Å; I886-A888 VanDerWaalsContact O-N 3.12Å; A888-V892 WeakPolarHBondContact O-CG2 3.44Å; A888-V892 PolarHBondContact O-N 2.99Å; A888-F1008 HydrophobicContact CB-CE1 4.18Å
889	V	90.4	Very high	89	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-78.3	-36.6	-178.9	-166.8	0	0	0	0	111.1	L884 I886 K887 E891 V892 F893 F1008 F1033	L884-V889 HydrophobicContact CD2-CB 4.15Å; L884-V889 HydrophobicContact CD2-CG1 3.7Å; I886-V889 HydrophobicContact CB-CB 4.46Å; I886-V889 HydrophobicContact CB-CG2 4.33Å; I886-V889 HydrophobicContact CG2-CB 4.46Å; I886-V889 HydrophobicContact CG2-CG2 3.84Å; I886-V889 PolarHBondContact O-N 3.37Å; K887-V889 VanDerWaalsContact C-N 3.31Å; K887-V889 PolarHBondContact O-N 3.4Å; V889-E891 VanDerWaalsContact C-N 3.33Å; V889-E891 PolarHBondContact O-N 3.45Å; V889-V892 PolarHBondContact O-N 3.01Å; V889-F893 HydrophobicContact CG1-CD2 3.95Å; V889-F893 HydrophobicContact CG1-CE2 3.59Å; V889-F893 HydrophobicContact CG1-CZ 4.48Å; V889-F893 WeakPolarHBondContact O-CD2 3.39Å; V889-F893 PolarHBondContact O-N 3.22Å; V889-F1008 HydrophobicContact CG2-CB 3.91Å; V889-F1008 HydrophobicContact CG2-CD1 3.88Å; V889-F1008 HydrophobicContact CG2-CD2 4.45Å; V889-F1008 HydrophobicContact CG2-CG 3.81Å; V889-F1033 HydrophobicContact CG1-CD2 3.94Å; V889-F1033 HydrophobicContact CG1-CE2 4.04Å
890	D	91.6	Very high	89.6	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-34.4	173.7	-75.9	-49.4	0	0	0	112.1	V883 L884 Q885 I886 K887 K894	V883-D890 WeakPolarHBondContact CA-OD1 3.31Å; L884-D890 PolarHBondContact N-OD1 2.84Å; Q885-D890 WeakPolarHBondContact CA-OD2 3.48Å; Q885-D890 PolarHBondContact N-OD2 3.32Å; I886-D890 PolarHBondContact N-OD2 3.15Å; I886-D890 PolarHBondContact O-N 3.21Å; K887-D890 PolarHBondContact O-N 3.47Å; D890-K894 WeakPolarHBondContact O-CG 3.32Å; D890-K894 PolarHBondContact O-N 3.26Å
891	E	92.1	Very high	90.2	Very high	104 Å²	104	57.8 Å²	57.8	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-68.1	-39.4	171.6	-64.3	-43.8	136	0	0	112.4	K887 V889 K894	K887-E891 WeakPolarHBondContact O-CG 3.34Å; K887-E891 PolarHBondContact O-N 2.84Å; V889-E891 VanDerWaalsContact C-N 3.33Å; V889-E891 PolarHBondContact O-N 3.45Å; E891-K894 PolarHBondContact O-N 2.87Å; E891-K894 IonicContact OE1-NZ 2.69Å; E891-K894 PolarHBondContact OE1-NZ 2.84Å; E891-K894 WeakPolarHBondContact OE2-CD 3.24Å; E891-K894 WeakPolarHBondContact OE2-CE 3.38Å; E891-K894 IonicContact OE2-NZ 2.92Å; E891-K894 PolarHBondContact OE2-NZ 3.38Å
892	V	92.4	Very high	90.5	Very high	26 Å²	26	58.8 Å²	58.8	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-49.6	175.9	173.4	0	0	0	0	110.5	A888 V889 K894 T895 T1001 A1004 A1005 F1008	A888-V892 WeakPolarHBondContact O-CG2 3.44Å; A888-V892 PolarHBondContact O-N 2.99Å; V889-V892 PolarHBondContact O-N 3.01Å; V892-K894 VanDerWaalsContact C-N 3.28Å; V892-K894 PolarHBondContact O-N 2.86Å; V892-T895 WeakPolarHBondContact O-CB 3.4Å; V892-T895 PolarHBondContact O-N 3Å; V892-T895 PolarHBondContact O-OG1 3.06Å; V892-T1001 HydrophobicContact CG1-CG2 4.1Å; V892-T1001 WeakPolarHBondContact O-CG2 3.18Å; V892-A1004 HydrophobicContact CG1-CB 4.08Å; V892-A1005 HydrophobicContact CG1-CB 4.07Å; V892-F1008 HydrophobicContact CG2-CE2 3.92Å; V892-F1008 HydrophobicContact CG2-CZ 4.49Å
893	F	92.6	Very high	90.5	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-29.7	179.5	-75	-54.9	0	0	0	113.6	M881 L884 V889 T895 A896 A1005 F1033 N1036 I1037 L1040	M881-F893 WeakPolarHBondContact CE-O 3.45Å; M881-F893 HydrophobicContact SD-CB 4.01Å; M881-F893 HydrophobicContact SD-CD1 4.13Å; M881-F893 HydrophobicContact SD-CG 4.42Å; L884-F893 HydrophobicContact CD1-CD2 4.01Å; L884-F893 HydrophobicContact CD1-CE2 3.97Å; L884-F893 HydrophobicContact CD2-CE2 3.99Å; V889-F893 HydrophobicContact CG1-CD2 3.95Å; V889-F893 HydrophobicContact CG1-CE2 3.59Å; V889-F893 HydrophobicContact CG1-CZ 4.48Å; V889-F893 WeakPolarHBondContact O-CD2 3.39Å; V889-F893 PolarHBondContact O-N 3.22Å; F893-T895 PolarHBondContact O-N 3.09Å; F893-A896 PolarHBondContact O-N 3.22Å; F893-A1005 HydrophobicContact CD1-CB 4.41Å; F893-A1005 HydrophobicContact CE1-CB 3.68Å; F893-A1005 HydrophobicContact CZ-CB 3.81Å; F893-F1033 AromaticContact CE2-CD2 3.91Å; F893-F1033 HydrophobicContact CE2-CD2 3.91Å; F893-F1033 HydrophobicContact CE2-CE2 4.35Å; F893-F1033 AromaticContact CZ-CD2 3.94Å; F893-F1033 HydrophobicContact CZ-CD2 3.94Å; F893-F1033 HydrophobicContact CZ-CE2 4.1Å; F893-N1036 HydrophobicContact CD1-CB 3.74Å; F893-N1036 HydrophobicContact CD2-CB 4.19Å; F893-N1036 VanDerWaalsContact CD2-ND2 3.26Å; F893-N1036 WeakPolarHBondContact CD2-ND2 3.15Å; F893-N1036 HydrophobicContact CE1-CB 3.4Å; F893-N1036 VanDerWaalsContact CE1-CB 3.4Å; F893-N1036 HydrophobicContact CE2-CB 3.86Å; F893-N1036 HydrophobicContact CG-CB 4.14Å; F893-N1036 HydrophobicContact CZ-CB 3.47Å; F893-N1036 VanDerWaalsContact CZ-CB 3.47Å; F893-I1037 HydrophobicContact CE1-CD1 4.09Å; F893-I1037 HydrophobicContact CZ-CD1 4.11Å; F893-I1037 HydrophobicContact CZ-CG1 4.35Å; F893-L1040 HydrophobicContact CD1-CD1 4.1Å; F893-L1040 HydrophobicContact CE1-CD1 3.85Å
894	K	92.1	Very high	90.5	Very high	120 Å²	120	50.4 Å²	50.4	52%	0.522	25%	0.25	S	S	.	.	H	α-helix	trans	-59.3	-30.4	173.5	-73.9	173	-154.3	172.5	0	113.2	D890 E891 V892 A896 L897	D890-K894 WeakPolarHBondContact O-CG 3.32Å; D890-K894 PolarHBondContact O-N 3.26Å; E891-K894 PolarHBondContact O-N 2.87Å; E891-K894 IonicContact OE1-NZ 2.69Å; E891-K894 PolarHBondContact OE1-NZ 2.84Å; E891-K894 WeakPolarHBondContact OE2-CD 3.24Å; E891-K894 WeakPolarHBondContact OE2-CE 3.38Å; E891-K894 IonicContact OE2-NZ 2.92Å; E891-K894 PolarHBondContact OE2-NZ 3.38Å; V892-K894 VanDerWaalsContact C-N 3.28Å; V892-K894 PolarHBondContact O-N 2.86Å; K894-A896 PolarHBondContact O-N 2.89Å; K894-L897 WeakPolarHBondContact O-CB 3.44Å; K894-L897 PolarHBondContact O-N 2.9Å; K894-L897 VanDerWaalsContact O-N 3.13Å
895	T	92.4	Very high	90.6	Very high	84 Å²	84	52.4 Å²	52.4	52%	0.515	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-32.8	-179.4	67.4	0	0	0	0	112.5	V892 F893 L897 P899 T1001	V892-T895 WeakPolarHBondContact O-CB 3.4Å; V892-T895 PolarHBondContact O-N 3Å; V892-T895 PolarHBondContact O-OG1 3.06Å; F893-T895 PolarHBondContact O-N 3.09Å; T895-L897 VanDerWaalsContact C-N 3.31Å; T895-L897 PolarHBondContact O-N 3.48Å; T895-P899 WeakPolarHBondContact O-CD 3.46Å; T895-T1001 VanDerWaalsContact OG1-CG2 3.27Å; T895-T1001 WeakPolarHBondContact OG1-CG2 3.36Å; T895-T1001 PolarHBondContact OG1-OG1 2.75Å
896	A	91.3	Very high	90.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.7	178	0	0	0	0	0	114.5	M881 F893 K894 L898 P899 L900 T1001 L1040	M881-A896 HydrophobicContact CE-CB 4.2Å; M881-A896 HydrophobicContact SD-CB 4.32Å; F893-A896 PolarHBondContact O-N 3.22Å; K894-A896 PolarHBondContact O-N 2.89Å; A896-L898 PolarHBondContact O-N 3.37Å; A896-L898 VanDerWaalsContact O-N 3.15Å; A896-P899 WeakPolarHBondContact O-CD 3.18Å; A896-L900 HydrophobicContact CB-CD1 4.03Å; A896-L900 HydrophobicContact CB-CG 4.23Å; A896-L900 WeakPolarHBondContact O-CB 3.33Å; A896-L900 WeakPolarHBondContact O-CG 3.25Å; A896-L900 PolarHBondContact O-N 3.16Å; A896-T1001 HydrophobicContact CB-CG2 3.76Å; A896-L1040 HydrophobicContact CB-CD2 3.36Å
897	L	89.9	Confident	90.8	Very high	77 Å²	77	49.4 Å²	49.4	40%	0.403	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-29.3	-175.2	-177	61.9	0	0	0	113.4	M881 K894 T895 R901	M881-L897 HydrophobicContact CE-CB 4.42Å; K894-L897 WeakPolarHBondContact O-CB 3.44Å; K894-L897 PolarHBondContact O-N 2.9Å; K894-L897 VanDerWaalsContact O-N 3.13Å; T895-L897 VanDerWaalsContact C-N 3.31Å; T895-L897 PolarHBondContact O-N 3.48Å; L897-R901 WeakPolarHBondContact O-CD 3.48Å; L897-R901 VanDerWaalsContact O-CG 3.31Å; L897-R901 WeakPolarHBondContact O-CG 3.26Å
898	L	91.6	Very high	90.6	Very high	109 Å²	109	45.6 Å²	45.6	57%	0.571	23%	0.23	S	C	*	.	H	α-helix	trans	-79.7	-56.5	173.8	-69.5	173.3	0	0	0	111.8	A896 L900 R901 E902	A896-L898 PolarHBondContact O-N 3.37Å; A896-L898 VanDerWaalsContact O-N 3.15Å; L898-L900 VanDerWaalsContact C-N 3.27Å; L898-L900 PolarHBondContact O-N 3.16Å; L898-L900 VanDerWaalsContact O-N 3.16Å; L898-R901 PolarHBondContact O-N 3.14Å; L898-E902 VanDerWaalsContact C-OE1 3.31Å; L898-E902 WeakPolarHBondContact O-CG 3.37Å; L898-E902 PolarHBondContact O-N 2.98Å
899	P	92.4	Very high	90.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-49	-41.8	174.5	-28.1	30.9	0	0	0	114.9	T895 A896 R901 E902 A903 V994 R997 I998	T895-P899 WeakPolarHBondContact O-CD 3.46Å; A896-P899 WeakPolarHBondContact O-CD 3.18Å; P899-R901 VanDerWaalsContact C-N 3.34Å; P899-R901 PolarHBondContact O-N 2.84Å; P899-E902 PolarHBondContact O-N 2.77Å; P899-A903 WeakPolarHBondContact O-CB 3.48Å; P899-A903 PolarHBondContact O-N 2.51Å; P899-V994 HydrophobicContact CB-CG1 4.4Å; P899-V994 WeakPolarHBondContact O-CG1 3.45Å; P899-R997 HydrophobicContact CB-CB 4.25Å; P899-R997 HydrophobicContact CG-CB 3.86Å; P899-I998 HydrophobicContact CB-CD1 4.35Å; P899-I998 HydrophobicContact CB-CG1 3.61Å
900	L	89.9	Confident	90.5	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-32.9	179.6	-67.7	173.8	0	0	0	113.1	M881 A896 L898 T904 I998 I1039 L1040 Q1043	M881-L900 HydrophobicContact CE-CD1 3.76Å; M881-L900 HydrophobicContact CG-CD1 4.49Å; M881-L900 HydrophobicContact SD-CD1 3.97Å; A896-L900 HydrophobicContact CB-CD1 4.03Å; A896-L900 HydrophobicContact CB-CG 4.23Å; A896-L900 WeakPolarHBondContact O-CB 3.33Å; A896-L900 WeakPolarHBondContact O-CG 3.25Å; A896-L900 PolarHBondContact O-N 3.16Å; L898-L900 VanDerWaalsContact C-N 3.27Å; L898-L900 PolarHBondContact O-N 3.16Å; L898-L900 VanDerWaalsContact O-N 3.16Å; L900-T904 WeakPolarHBondContact O-CB 3.45Å; L900-T904 PolarHBondContact O-N 3.25Å; L900-T904 PolarHBondContact O-OG1 3.27Å; L900-I998 HydrophobicContact CD2-CD1 4.21Å; L900-I998 HydrophobicContact CD2-CG1 4.39Å; L900-I1039 HydrophobicContact CD1-CG2 4.29Å; L900-L1040 HydrophobicContact CD1-CD2 4.12Å; L900-L1040 HydrophobicContact CD2-CD2 4.29Å; L900-L1040 HydrophobicContact CG-CD2 4.43Å; L900-Q1043 HydrophobicContact CD2-CB 3.48Å; L900-Q1043 VanDerWaalsContact CD2-CB 3.48Å; L900-Q1043 HydrophobicContact CD2-CG 3.83Å
901	R	90.8	Very high	90.1	Very high	111 Å²	111	46.2 Å²	46.2	42%	0.419	23%	0.225	S	C	.	.	H	α-helix	trans	-73.5	-46	173.5	-72.3	175.7	177.9	-169	-0.2	111	Y878 L897 L898 P899 A903 T904 D905	Y878-R901 HydrophobicContact CD1-CB 4.24Å; Y878-R901 HydrophobicContact CD1-CG 3.79Å; Y878-R901 HydrophobicContact CE1-CB 4.24Å; Y878-R901 HydrophobicContact CE1-CG 4.1Å; Y878-R901 HydrophobicContact CG-CG 4.18Å; L897-R901 WeakPolarHBondContact O-CD 3.48Å; L897-R901 VanDerWaalsContact O-CG 3.31Å; L897-R901 WeakPolarHBondContact O-CG 3.26Å; L898-R901 PolarHBondContact O-N 3.14Å; P899-R901 VanDerWaalsContact C-N 3.34Å; P899-R901 PolarHBondContact O-N 2.84Å; R901-A903 VanDerWaalsContact C-N 3.35Å; R901-A903 PolarHBondContact O-N 3.16Å; R901-T904 PolarHBondContact O-N 3.1Å; R901-T904 VanDerWaalsContact O-N 3.11Å; R901-D905 WeakPolarHBondContact O-CB 3.26Å; R901-D905 PolarHBondContact O-N 3.2Å
902	E	92.2	Very high	89.7	Confident	65 Å²	65	45.5 Å²	45.5	30%	0.304	23%	0.225	S	C	.	.	H	α-helix	trans	-56.4	-47.9	176.2	-65.8	167.5	-124.6	0	0	111	L898 P899 T904 D905 L906 V994 R997	L898-E902 VanDerWaalsContact C-OE1 3.31Å; L898-E902 WeakPolarHBondContact O-CG 3.37Å; L898-E902 PolarHBondContact O-N 2.98Å; P899-E902 PolarHBondContact O-N 2.77Å; E902-T904 VanDerWaalsContact C-N 3.33Å; E902-T904 PolarHBondContact O-N 2.97Å; E902-D905 PolarHBondContact O-N 3.5Å; E902-L906 VanDerWaalsContact O-CG 3.27Å; E902-L906 WeakPolarHBondContact O-CG 3.27Å; E902-L906 PolarHBondContact O-N 2.79Å; E902-V994 HydrophobicContact CB-CG1 4.2Å; E902-V994 HydrophobicContact CB-CG2 4.11Å; E902-R997 IonicContact OE1-CZ 2.8Å; E902-R997 IonicContact OE1-NH1 3.15Å; E902-R997 PolarHBondContact OE1-NH1 3.41Å; E902-R997 IonicContact OE1-NH2 3.65Å; E902-R997 PolarHBondContact OE1-NH2 2.86Å; E902-R997 IonicContact OE2-CZ 2.69Å; E902-R997 IonicContact OE2-NH1 2.9Å; E902-R997 PolarHBondContact OE2-NH1 2.88Å; E902-R997 IonicContact OE2-NH2 3.74Å
903	A	90.1	Very high	89.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-40.1	175.2	0	0	0	0	0	112.8	P899 R901 R907 V994 I998 L1047	P899-A903 WeakPolarHBondContact O-CB 3.48Å; P899-A903 PolarHBondContact O-N 2.51Å; R901-A903 VanDerWaalsContact C-N 3.35Å; R901-A903 PolarHBondContact O-N 3.16Å; A903-R907 WeakPolarHBondContact O-CG 3.31Å; A903-R907 PolarHBondContact O-N 2.92Å; A903-V994 HydrophobicContact CB-CG1 3.83Å; A903-I998 HydrophobicContact CB-CD1 4.1Å; A903-L1047 HydrophobicContact CB-CD2 4.02Å
904	T	88.1	Confident	88.9	Confident	8 Å²	8	44.5 Å²	44.5	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-47.2	178.1	-58.4	0	0	0	0	111.4	Y878 L900 R901 E902 L906 R907 E908	Y878-T904 HydrophobicContact CD1-CG2 4.03Å; Y878-T904 HydrophobicContact CE1-CG2 4.41Å; L900-T904 WeakPolarHBondContact O-CB 3.45Å; L900-T904 PolarHBondContact O-N 3.25Å; L900-T904 PolarHBondContact O-OG1 3.27Å; R901-T904 PolarHBondContact O-N 3.1Å; R901-T904 VanDerWaalsContact O-N 3.11Å; E902-T904 VanDerWaalsContact C-N 3.33Å; E902-T904 PolarHBondContact O-N 2.97Å; T904-L906 PolarHBondContact O-N 2.74Å; T904-R907 PolarHBondContact O-N 3.31Å; T904-R907 PolarHBondContact OG1-NH2 2.82Å; T904-E908 WeakPolarHBondContact O-CB 3.25Å; T904-E908 PolarHBondContact O-N 3.24Å
905	D	90.2	Very high	88.2	Confident	45 Å²	45	40.3 Å²	40.3	24%	0.241	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-42.2	179.9	-78.3	-18.4	0	0	0	112	R876 R901 E902 N909	R876-D905 WeakPolarHBondContact CD-OD1 3.36Å; R876-D905 IonicContact CZ-OD1 3.47Å; R876-D905 IonicContact NE-OD1 2.72Å; R876-D905 PolarHBondContact NE-OD1 3.12Å; R876-D905 VanDerWaalsContact NH1-CG 3.31Å; R876-D905 IonicContact NH1-OD1 2.65Å; R876-D905 PolarHBondContact NH1-OD1 3.03Å; R876-D905 IonicContact NH1-OD2 3.96Å; R901-D905 WeakPolarHBondContact O-CB 3.26Å; R901-D905 PolarHBondContact O-N 3.2Å; E902-D905 PolarHBondContact O-N 3.5Å; D905-N909 WeakPolarHBondContact O-CB 3.46Å; D905-N909 PolarHBondContact O-N 3.34Å; D905-N909 PolarHBondContact O-ND2 2.78Å; D905-N909 VanDerWaalsContact O-ND2 3.08Å
906	L	90.6	Very high	87.7	Confident	20 Å²	20	38.9 Å²	38.9	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-52.5	176.1	-72.9	173	0	0	0	111.7	E902 T904 M910 I986 L987 V994 L1047	E902-L906 VanDerWaalsContact O-CG 3.27Å; E902-L906 WeakPolarHBondContact O-CG 3.27Å; E902-L906 PolarHBondContact O-N 2.79Å; T904-L906 PolarHBondContact O-N 2.74Å; L906-M910 WeakPolarHBondContact O-CB 3.3Å; L906-M910 PolarHBondContact O-N 2.82Å; L906-M910 VanDerWaalsContact O-N 3.16Å; L906-I986 HydrophobicContact CD2-CG2 3.77Å; L906-L987 HydrophobicContact CB-CG 4.42Å; L906-V994 HydrophobicContact CD1-CG2 4.3Å; L906-L1047 HydrophobicContact CD1-CD1 4.37Å
907	R	88.5	Confident	87.4	Confident	39 Å²	39	38.9 Å²	38.9	15%	0.147	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-43.3	-178.4	-62.7	-178.2	-44.3	-118	-6.6	112.1	A903 T904 Q911 Q1043 L1046 L1047 A1050	A903-R907 WeakPolarHBondContact O-CG 3.31Å; A903-R907 PolarHBondContact O-N 2.92Å; T904-R907 PolarHBondContact O-N 3.31Å; T904-R907 PolarHBondContact OG1-NH2 2.82Å; R907-Q911 PolarHBondContact O-N 3.13Å; R907-Q911 VanDerWaalsContact O-N 3.08Å; R907-Q1043 VanDerWaalsContact CZ-OE1 3.26Å; R907-Q1043 PolarHBondContact NH1-O 3.2Å; R907-Q1043 VanDerWaalsContact NH1-O 3.12Å; R907-L1046 VanDerWaalsContact CD-O 3.24Å; R907-L1046 WeakPolarHBondContact CD-O 3.34Å; R907-L1047 HydrophobicContact CG-CD1 4.19Å; R907-A1050 HydrophobicContact CG-CB 3.71Å
908	E	85.6	Confident	86.8	Confident	61 Å²	61	35.7 Å²	35.7	29%	0.285	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-43.5	177.6	-83.9	-162.5	-156.6	0	0	112.6	R876 T904 M910 Q911 N912	R876-E908 WeakPolarHBondContact CD-OE2 3.41Å; R876-E908 WeakPolarHBondContact CG-OE2 3.33Å; R876-E908 IonicContact CZ-OE2 2.95Å; R876-E908 IonicContact NE-OE2 3.87Å; R876-E908 PolarHBondContact NE-OE2 3.5Å; R876-E908 IonicContact NH2-OE2 3.58Å; T904-E908 WeakPolarHBondContact O-CB 3.25Å; T904-E908 PolarHBondContact O-N 3.24Å; E908-M910 PolarHBondContact O-N 3.13Å; E908-Q911 PolarHBondContact O-N 2.95Å; E908-N912 WeakPolarHBondContact O-CB 3.22Å; E908-N912 PolarHBondContact O-N 3.3Å; E908-N912 PolarHBondContact O-ND2 2.83Å
909	N	88.3	Confident	85.9	Confident	69 Å²	69	34.7 Å²	34.7	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-60.4	-47.9	-179.8	-73.1	-23.3	0	0	0	110.7	R876 D905 Q911 N912 A913 T983	R876-N909 PolarHBondContact NH2-OD1 2.93Å; D905-N909 WeakPolarHBondContact O-CB 3.46Å; D905-N909 PolarHBondContact O-N 3.34Å; D905-N909 PolarHBondContact O-ND2 2.78Å; D905-N909 VanDerWaalsContact O-ND2 3.08Å; N909-Q911 PolarHBondContact O-N 3.47Å; N909-N912 PolarHBondContact O-N 3.15Å; N909-A913 PolarHBondContact O-N 3.13Å; N909-T983 HydrophobicContact CB-CG2 4.22Å
910	M	88.6	Confident	85.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-57.2	-48.2	175.8	177.6	-85.5	-73.8	0	0	111.4	L906 E908 N912 A913 I914 L987 A1050 V1054	L906-M910 WeakPolarHBondContact O-CB 3.3Å; L906-M910 PolarHBondContact O-N 2.82Å; L906-M910 VanDerWaalsContact O-N 3.16Å; E908-M910 PolarHBondContact O-N 3.13Å; M910-N912 PolarHBondContact O-N 3Å; M910-A913 PolarHBondContact O-N 3.43Å; M910-I914 HydrophobicContact CG-CD1 4.39Å; M910-I914 WeakPolarHBondContact O-CG1 3.46Å; M910-I914 PolarHBondContact O-N 3.03Å; M910-I914 VanDerWaalsContact O-N 3.1Å; M910-I914 HydrophobicContact SD-CD1 3.46Å; M910-I914 WeakPolarHBondContact SD-CD1 3.47Å; M910-I914 HydrophobicContact SD-CG1 4.39Å; M910-L987 HydrophobicContact CB-CD1 3.83Å; M910-L987 HydrophobicContact CE-CD1 3.79Å; M910-L987 HydrophobicContact CG-CD1 4.02Å; M910-A1050 HydrophobicContact CE-CB 3.98Å; M910-V1054 HydrophobicContact CE-CG2 3.91Å; M910-V1054 HydrophobicContact CG-CG2 3.62Å; M910-V1054 HydrophobicContact SD-CG2 3.91Å
911	Q	81.7	Confident	84.5	Confident	20 Å²	20	37.5 Å²	37.5	9%	0.093	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-46	179.9	-172.8	60.1	36.3	0	0	113.2	K861 R907 E908 N909 A913 I914 V915	K861-Q911 HydrophobicContact CB-CG 4.27Å; K861-Q911 HydrophobicContact CD-CG 3.88Å; K861-Q911 VanDerWaalsContact CD-OE1 3.31Å; K861-Q911 HydrophobicContact CG-CG 4.36Å; R907-Q911 PolarHBondContact O-N 3.13Å; R907-Q911 VanDerWaalsContact O-N 3.08Å; E908-Q911 PolarHBondContact O-N 2.95Å; N909-Q911 PolarHBondContact O-N 3.47Å; Q911-A913 PolarHBondContact O-N 3.36Å; Q911-I914 PolarHBondContact O-N 3.39Å; Q911-I914 VanDerWaalsContact O-N 3.16Å; Q911-V915 HydrophobicContact CG-CG2 4.21Å; Q911-V915 WeakPolarHBondContact O-CG2 3.41Å; Q911-V915 PolarHBondContact O-N 3.3Å
912	N	83.8	Confident	83.3	Confident	88 Å²	88	32.5 Å²	32.5	47%	0.471	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-32.8	-176.3	-76.5	-64.5	0	0	0	111.7	E908 N909 M910 S916	E908-N912 WeakPolarHBondContact O-CB 3.22Å; E908-N912 PolarHBondContact O-N 3.3Å; E908-N912 PolarHBondContact O-ND2 2.83Å; N909-N912 PolarHBondContact O-N 3.15Å; M910-N912 PolarHBondContact O-N 3Å; N912-S916 WeakPolarHBondContact O-CB 3.36Å; N912-S916 PolarHBondContact O-N 3.07Å; N912-S916 VanDerWaalsContact O-N 3.09Å; N912-S916 PolarHBondContact O-OG 3.19Å
913	A	86	Confident	82	Confident	7 Å²	7	31.6 Å²	31.6	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-69.5	-44.8	172.7	0	0	0	0	0	112.3	N909 M910 Q911 V915 S916 F917 M979 M980 T983	N909-A913 PolarHBondContact O-N 3.13Å; M910-A913 PolarHBondContact O-N 3.43Å; Q911-A913 PolarHBondContact O-N 3.36Å; A913-V915 PolarHBondContact O-N 3.29Å; A913-S916 PolarHBondContact O-N 3.32Å; A913-F917 PolarHBondContact O-N 2.84Å; A913-M979 HydrophobicContact CB-CG 4.22Å; A913-M980 HydrophobicContact CB-CB 4.25Å; A913-T983 HydrophobicContact CB-CG2 4.34Å; A913-T983 WeakPolarHBondContact CB-OG1 3.4Å
914	I	82.4	Confident	80.3	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-56.8	-47.5	173.7	-72.9	179	0	0	0	111.3	M910 Q911 S916 F917 K918 L929 M980	M910-I914 HydrophobicContact CG-CD1 4.39Å; M910-I914 WeakPolarHBondContact O-CG1 3.46Å; M910-I914 PolarHBondContact O-N 3.03Å; M910-I914 VanDerWaalsContact O-N 3.1Å; M910-I914 HydrophobicContact SD-CD1 3.46Å; M910-I914 WeakPolarHBondContact SD-CD1 3.47Å; M910-I914 HydrophobicContact SD-CG1 4.39Å; Q911-I914 PolarHBondContact O-N 3.39Å; Q911-I914 VanDerWaalsContact O-N 3.16Å; I914-S916 PolarHBondContact O-N 3.05Å; I914-F917 PolarHBondContact O-N 3.22Å; I914-K918 HydrophobicContact CG2-CD 4.36Å; I914-K918 WeakPolarHBondContact O-CG 3.43Å; I914-K918 PolarHBondContact O-N 3.47Å; I914-L929 HydrophobicContact CG2-CD2 4.41Å; I914-M980 HydrophobicContact CG1-CG 3.71Å; I914-M980 HydrophobicContact CG1-SD 3.94Å
915	V	78.8	Confident	78.5	Confident	32 Å²	32	35.1 Å²	35.1	19%	0.194	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-44.1	179.7	175.7	0	0	0	0	111	Q911 A913 F917 K918 E919	Q911-V915 HydrophobicContact CG-CG2 4.21Å; Q911-V915 WeakPolarHBondContact O-CG2 3.41Å; Q911-V915 PolarHBondContact O-N 3.3Å; A913-V915 PolarHBondContact O-N 3.29Å; V915-F917 VanDerWaalsContact C-N 3.28Å; V915-F917 PolarHBondContact O-N 2.94Å; V915-K918 PolarHBondContact O-N 2.87Å; V915-E919 HydrophobicContact CG1-CG 4.42Å; V915-E919 WeakPolarHBondContact O-CG 3.24Å; V915-E919 PolarHBondContact O-N 2.74Å
916	S	81.3	Confident	76.7	Confident	55 Å²	55	34.3 Å²	34.3	39%	0.385	19%	0.19	S	C	.	.	H	α-helix	trans	-61.1	-37.3	178	-61.6	0	0	0	0	112.1	N912 A913 I914 L920	N912-S916 WeakPolarHBondContact O-CB 3.36Å; N912-S916 PolarHBondContact O-N 3.07Å; N912-S916 VanDerWaalsContact O-N 3.09Å; N912-S916 PolarHBondContact O-OG 3.19Å; A913-S916 PolarHBondContact O-N 3.32Å; I914-S916 PolarHBondContact O-N 3.05Å; S916-L920 WeakPolarHBondContact O-CG 3.48Å; S916-L920 PolarHBondContact O-N 3.23Å
917	F	84.3	Confident	75.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-46	174.2	178.3	-113.1	0	0	0	112.1	A913 I914 V915 E919 L920 C921 L929 C932 I933 L936 V973 S976 Y977 M980	A913-F917 PolarHBondContact O-N 2.84Å; I914-F917 PolarHBondContact O-N 3.22Å; V915-F917 VanDerWaalsContact C-N 3.28Å; V915-F917 PolarHBondContact O-N 2.94Å; F917-E919 PolarHBondContact O-N 3.49Å; F917-L920 PolarHBondContact O-N 2.86Å; F917-C921 PolarHBondContact O-N 3.35Å; F917-C921 PolarHBondContact O-SG 3.37Å; F917-L929 HydrophobicContact CD1-CD2 3.93Å; F917-L929 HydrophobicContact CE1-CD2 4.17Å; F917-C932 HydrophobicContact CD1-CB 4.4Å; F917-C932 HydrophobicContact CE1-CB 3.69Å; F917-C932 HydrophobicContact CZ-CB 4.34Å; F917-I933 HydrophobicContact CE1-CD1 4.38Å; F917-I933 HydrophobicContact CZ-CD1 4.08Å; F917-L936 HydrophobicContact CE2-CD1 3.82Å; F917-L936 HydrophobicContact CZ-CD1 3.56Å; F917-V973 HydrophobicContact CE2-CG1 4Å; F917-S976 WeakPolarHBondContact CA-OG 3.25Å; F917-S976 PolarHBondContact N-OG 3.16Å; F917-Y977 HydrophobicContact CD2-CD2 4.35Å; F917-Y977 HydrophobicContact CE1-CD2 4.29Å; F917-Y977 AromaticContact CE2-CD2 3.74Å; F917-Y977 HydrophobicContact CE2-CD2 3.74Å; F917-Y977 HydrophobicContact CE2-CG 4.23Å; F917-Y977 AromaticContact CZ-CD2 3.7Å; F917-Y977 HydrophobicContact CZ-CD2 3.7Å; F917-Y977 HydrophobicContact CZ-CE2 4.49Å; F917-M980 HydrophobicContact CB-SD 4.05Å; F917-M980 HydrophobicContact CD1-CE 3.93Å; F917-M980 HydrophobicContact CD1-SD 3.6Å; F917-M980 VanDerWaalsContact CD1-SD 3.6Å; F917-M980 HydrophobicContact CE1-CE 4.1Å; F917-M980 HydrophobicContact CE1-SD 4.32Å; F917-M980 HydrophobicContact CG-CE 4.38Å; F917-M980 HydrophobicContact CG-SD 3.99Å
918	K	77	Confident	74.4	Confident	9 Å²	9	33 Å²	33	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-45.2	175.3	-68.4	-178.2	-173.4	-164.2	0	112.5	I914 V915 L920 C921 G922 L923 A925 A927	I914-K918 HydrophobicContact CG2-CD 4.36Å; I914-K918 WeakPolarHBondContact O-CG 3.43Å; I914-K918 PolarHBondContact O-N 3.47Å; V915-K918 PolarHBondContact O-N 2.87Å; K918-L920 VanDerWaalsContact C-N 3.27Å; K918-L920 PolarHBondContact O-N 3Å; K918-C921 WeakPolarHBondContact O-CB 3.42Å; K918-C921 PolarHBondContact O-N 2.98Å; K918-C921 VanDerWaalsContact O-N 3.13Å; K918-G922 PolarHBondContact O-N 3.07Å; K918-G922 VanDerWaalsContact O-N 3.17Å; K918-L923 PolarHBondContact O-N 3.19Å; K918-A925 WeakPolarHBondContact CD-O 3.4Å; K918-A925 PolarHBondContact NZ-O 2.99Å; K918-A927 WeakPolarHBondContact CD-O 3.28Å; K918-A927 WeakPolarHBondContact CE-O 3.5Å; K918-A927 PolarHBondContact NZ-O 2.95Å
919	E	73.5	Confident	74.1	Confident	88 Å²	88	30.1 Å²	30.1	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-33.1	179.4	-76.1	-173.6	-172.9	0	0	113.2	R178 V915 F917 G922	R178-E919 PolarHBondContact NH1-O 3.02Å; R178-E919 PolarHBondContact NH2-O 2.92Å; V915-E919 HydrophobicContact CG1-CG 4.42Å; V915-E919 WeakPolarHBondContact O-CG 3.24Å; V915-E919 PolarHBondContact O-N 2.74Å; F917-E919 PolarHBondContact O-N 3.49Å; E919-G922 PolarHBondContact O-N 3.19Å
920	L	77.4	Confident	73.4	Confident	64 Å²	64	27.4 Å²	27.4	34%	0.335	16%	0.16	S	C	.	.	H	α-helix	trans	-81.9	-28.1	175.8	-70.6	170.6	0	0	0	112.8	S916 F917 K918 G922 V973 S976	S916-L920 WeakPolarHBondContact O-CG 3.48Å; S916-L920 PolarHBondContact O-N 3.23Å; F917-L920 PolarHBondContact O-N 2.86Å; K918-L920 VanDerWaalsContact C-N 3.27Å; K918-L920 PolarHBondContact O-N 3Å; L920-G922 PolarHBondContact O-N 3.39Å; L920-V973 HydrophobicContact CB-CG2 4.24Å; L920-S976 VanDerWaalsContact CD1-CB 3.48Å
921	C	74.8	Confident	72.5	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-20.3	166.2	-64.3	0	0	0	0	111.9	F917 K918 L923 C932 R939	F917-C921 PolarHBondContact O-N 3.35Å; F917-C921 PolarHBondContact O-SG 3.37Å; K918-C921 WeakPolarHBondContact O-CB 3.42Å; K918-C921 PolarHBondContact O-N 2.98Å; K918-C921 VanDerWaalsContact O-N 3.13Å; C921-L923 HydrophobicContact CB-CD1 4.39Å; C921-L923 HydrophobicContact CB-CG 4.37Å; C921-C932 HydrophobicContact CB-CB 4.23Å; C921-R939 PolarHBondContact O-NH1 3.08Å; C921-R939 PolarHBondContact O-NH2 3.45Å
922	G	65.6	Low	72.3	Confident	7 Å²	7	28.2 Å²	28.2	7%	0.072	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	32.3	-179.1	0	0	0	0	0	112.5	N173 K918 E919 L920	N173-G922 WeakPolarHBondContact CB-O 3.38Å; N173-G922 VanDerWaalsContact CG-O 3.23Å; N173-G922 PolarHBondContact OD1-O 2.91Å; K918-G922 PolarHBondContact O-N 3.07Å; K918-G922 VanDerWaalsContact O-N 3.17Å; E919-G922 PolarHBondContact O-N 3.19Å; L920-G922 PolarHBondContact O-N 3.39Å
923	L	64.7	Low	72.1	Confident	46 Å²	46	24 Å²	24	24%	0.241	14%	0.141	C	C	.	.			trans	-119.7	160.3	178.5	-60.9	176.4	0	0	0	110.4	K918 C921 A927 Q931 C932 A935	K918-L923 PolarHBondContact O-N 3.19Å; C921-L923 HydrophobicContact CB-CD1 4.39Å; C921-L923 HydrophobicContact CB-CG 4.37Å; L923-A927 HydrophobicContact CB-CB 3.8Å; L923-A927 HydrophobicContact CD1-CB 4.02Å; L923-A927 HydrophobicContact CG-CB 4.49Å; L923-Q931 HydrophobicContact CD1-CB 4.07Å; L923-Q931 WeakPolarHBondContact CD1-O 3.45Å; L923-C932 HydrophobicContact CD1-CB 4.5Å; L923-A935 HydrophobicContact CD1-CB 3.96Å; L923-A935 HydrophobicContact CD2-CB 4.25Å; L923-A935 HydrophobicContact CG-CB 4.31Å
924	S	54.5	Low	71.4	Confident	63 Å²	63	25.7 Å²	25.7	44%	0.441	15%	0.149	S	C	.	.			trans	-58.7	153	171	174.1	0	0	0	0	111.9	V926 A927	S924-V926 PolarHBondContact O-N 2.91Å; S924-V926 VanDerWaalsContact O-N 3.14Å; S924-V926 PolarHBondContact OG-N 3.34Å; S924-A927 WeakPolarHBondContact O-CB 3.44Å; S924-A927 PolarHBondContact O-N 3.03Å
925	A	51.2	Low	70.9	Confident	19 Å²	19	27 Å²	27	16%	0.157	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23	172.6	0	0	0	0	0	113.1	G860 K918	G860-A925 WeakPolarHBondContact CA-O 3.49Å; K918-A925 WeakPolarHBondContact CD-O 3.4Å; K918-A925 PolarHBondContact NZ-O 2.99Å
926	V	52.3	Low	70.7	Confident	27 Å²	27	25.7 Å²	25.7	16%	0.164	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-36.5	174.5	-179.6	0	0	0	0	111.8	A852 G859 G860 S924	A852-V926 HydrophobicContact CB-CG1 3.56Å; G859-V926 CarbonylContact C-O 3.5Å; G859-V926 WeakPolarHBondContact CA-O 3.41Å; G860-V926 PolarHBondContact N-O 2.91Å; S924-V926 PolarHBondContact O-N 2.91Å; S924-V926 VanDerWaalsContact O-N 3.14Å; S924-V926 PolarHBondContact OG-N 3.34Å
927	A	61.3	Low	70.3	Confident	11 Å²	11	24.1 Å²	24.1	9%	0.091	14%	0.141	C	C	.	.	S	Bend	trans	-55.7	139.6	-172.8	0	0	0	0	0	113.1	K918 L923 S924 Q931	K918-A927 WeakPolarHBondContact CD-O 3.28Å; K918-A927 WeakPolarHBondContact CE-O 3.5Å; K918-A927 PolarHBondContact NZ-O 2.95Å; L923-A927 HydrophobicContact CB-CB 3.8Å; L923-A927 HydrophobicContact CD1-CB 4.02Å; L923-A927 HydrophobicContact CG-CB 4.49Å; S924-A927 WeakPolarHBondContact O-CB 3.44Å; S924-A927 PolarHBondContact O-N 3.03Å; A927-Q931 HydrophobicContact CB-CB 4.34Å
928	N	70.3	Confident	69.5	Low	20 Å²	20	28.7 Å²	28.7	11%	0.107	17%	0.171	C	C	.	.			trans	-76.7	165.7	177.8	67	50.9	0	0	0	111.6	K930 Q931 C932	N928-K930 VanDerWaalsContact C-N 3.26Å; N928-K930 PolarHBondContact O-N 2.89Å; N928-K930 WeakPolarHBondContact OD1-CA 3.4Å; N928-K930 WeakPolarHBondContact OD1-CB 3.34Å; N928-K930 PolarHBondContact OD1-N 3.35Å; N928-K930 VanDerWaalsContact OD1-N 3.14Å; N928-Q931 PolarHBondContact ND2-OE1 2.78Å; N928-Q931 PolarHBondContact O-N 2.92Å; N928-Q931 PolarHBondContact OD1-N 3.31Å; N928-C932 PolarHBondContact O-N 2.78Å; N928-C932 PolarHBondContact O-SG 3.17Å; N928-C932 VanDerWaalsContact O-SG 3.39Å
929	L	78.8	Confident	69.1	Low	2 Å²	2	29 Å²	29	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-70.7	-24.2	-176.4	-68.2	-177.3	0	0	0	112.3	I914 F917 C932 I933 M980 N1057 Q1060 I1061	I914-L929 HydrophobicContact CG2-CD2 4.41Å; F917-L929 HydrophobicContact CD1-CD2 3.93Å; F917-L929 HydrophobicContact CE1-CD2 4.17Å; L929-C932 VanDerWaalsContact O-CB 3.31Å; L929-C932 WeakPolarHBondContact O-CB 3.36Å; L929-C932 PolarHBondContact O-N 2.95Å; L929-I933 WeakPolarHBondContact O-CG1 3.34Å; L929-I933 PolarHBondContact O-N 3.47Å; L929-M980 HydrophobicContact CD1-CE 4.4Å; L929-M980 HydrophobicContact CD1-SD 4.08Å; L929-M980 HydrophobicContact CD2-SD 3.97Å; L929-N1057 HydrophobicContact CD1-CB 3.59Å; L929-N1057 WeakPolarHBondContact CD1-OD1 3.46Å; L929-Q1060 VanDerWaalsContact N-OE1 3.14Å; L929-I1061 HydrophobicContact CB-CG1 4.31Å; L929-I1061 HydrophobicContact CD1-CD1 4.08Å; L929-I1061 HydrophobicContact CD1-CG1 4.35Å
930	K	72.5	Confident	69	Low	11 Å²	11	25 Å²	25	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-46.7	171	166.8	153.4	177.3	163.6	0	111.8	E342 N928 C932 I933 L934 Q1060 S1064	E342-K930 IonicContact OE1-NZ 2.75Å; E342-K930 PolarHBondContact OE1-NZ 2.9Å; E342-K930 IonicContact OE2-NZ 2.75Å; E342-K930 PolarHBondContact OE2-NZ 3.49Å; N928-K930 VanDerWaalsContact C-N 3.26Å; N928-K930 PolarHBondContact O-N 2.89Å; N928-K930 WeakPolarHBondContact OD1-CA 3.4Å; N928-K930 WeakPolarHBondContact OD1-CB 3.34Å; N928-K930 PolarHBondContact OD1-N 3.35Å; N928-K930 VanDerWaalsContact OD1-N 3.14Å; K930-C932 VanDerWaalsContact C-N 3.27Å; K930-C932 PolarHBondContact O-N 2.97Å; K930-I933 PolarHBondContact O-N 3.14Å; K930-L934 HydrophobicContact CG-CD1 3.79Å; K930-L934 HydrophobicContact CG-CG 4.47Å; K930-L934 WeakPolarHBondContact O-CB 3.19Å; K930-L934 VanDerWaalsContact O-CG 3.3Å; K930-L934 WeakPolarHBondContact O-CG 3.48Å; K930-L934 PolarHBondContact O-N 3.12Å; K930-Q1060 HydrophobicContact CB-CB 4.35Å; K930-S1064 VanDerWaalsContact CA-OG 3.26Å; K930-S1064 WeakPolarHBondContact CA-OG 3.48Å; K930-S1064 WeakPolarHBondContact CB-OG 3.11Å; K930-S1064 WeakPolarHBondContact CG-OG 3.49Å
931	Q	70.8	Confident	68.5	Low	38 Å²	38	24 Å²	24	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-58.1	-37.8	170.7	-73.1	164.5	-36.7	0	0	111.5	A343 E344 L923 A927 N928 A935	A343-Q931 HydrophobicContact CB-CG 3.98Å; A343-Q931 PolarHBondContact O-NE2 2.63Å; E344-Q931 PolarHBondContact OE1-NE2 2.88Å; L923-Q931 HydrophobicContact CD1-CB 4.07Å; L923-Q931 WeakPolarHBondContact CD1-O 3.45Å; A927-Q931 HydrophobicContact CB-CB 4.34Å; N928-Q931 PolarHBondContact ND2-OE1 2.78Å; N928-Q931 PolarHBondContact O-N 2.92Å; N928-Q931 PolarHBondContact OD1-N 3.31Å; Q931-A935 WeakPolarHBondContact O-CB 3.49Å; Q931-A935 PolarHBondContact O-N 3.43Å
932	C	77.5	Confident	67.9	Low	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-47.4	173.6	-60.7	0	0	0	0	113.1	F917 C921 L923 N928 L929 K930 L936	F917-C932 HydrophobicContact CD1-CB 4.4Å; F917-C932 HydrophobicContact CE1-CB 3.69Å; F917-C932 HydrophobicContact CZ-CB 4.34Å; C921-C932 HydrophobicContact CB-CB 4.23Å; L923-C932 HydrophobicContact CD1-CB 4.5Å; N928-C932 PolarHBondContact O-N 2.78Å; N928-C932 PolarHBondContact O-SG 3.17Å; N928-C932 VanDerWaalsContact O-SG 3.39Å; L929-C932 VanDerWaalsContact O-CB 3.31Å; L929-C932 WeakPolarHBondContact O-CB 3.36Å; L929-C932 PolarHBondContact O-N 2.95Å; K930-C932 VanDerWaalsContact C-N 3.27Å; K930-C932 PolarHBondContact O-N 2.97Å; C932-L936 WeakPolarHBondContact O-CB 3.37Å; C932-L936 VanDerWaalsContact O-CG 3.3Å; C932-L936 WeakPolarHBondContact O-CG 3.4Å; C932-L936 PolarHBondContact O-N 3.3Å
933	I	79.4	Confident	67.6	Low	0 Å²	0	30 Å²	30	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-41	178.6	-57.5	-43.8	0	0	0	111.2	F917 L929 K930 L936 S937 F951 Y977 I1061	F917-I933 HydrophobicContact CE1-CD1 4.38Å; F917-I933 HydrophobicContact CZ-CD1 4.08Å; L929-I933 WeakPolarHBondContact O-CG1 3.34Å; L929-I933 PolarHBondContact O-N 3.47Å; K930-I933 PolarHBondContact O-N 3.14Å; I933-L936 PolarHBondContact O-N 2.91Å; I933-S937 PolarHBondContact O-N 2.79Å; I933-F951 HydrophobicContact CD1-CE1 4.37Å; I933-F951 HydrophobicContact CD1-CZ 3.91Å; I933-F951 HydrophobicContact CG2-CE2 4.1Å; I933-F951 HydrophobicContact CG2-CZ 4.19Å; I933-Y977 HydrophobicContact CD1-CE2 4.49Å; I933-I1061 HydrophobicContact CG1-CG1 4.45Å
934	L	71.9	Confident	67.2	Low	42 Å²	42	34.5 Å²	34.5	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-49.6	174.8	-73	165	0	0	0	111.6	I339 K930 L936 S937 P938	I339-L934 HydrophobicContact CG2-CD1 4.27Å; K930-L934 HydrophobicContact CG-CD1 3.79Å; K930-L934 HydrophobicContact CG-CG 4.47Å; K930-L934 WeakPolarHBondContact O-CB 3.19Å; K930-L934 VanDerWaalsContact O-CG 3.3Å; K930-L934 WeakPolarHBondContact O-CG 3.48Å; K930-L934 PolarHBondContact O-N 3.12Å; L934-L936 PolarHBondContact O-N 3.45Å; L934-S937 WeakPolarHBondContact O-CB 3.29Å; L934-S937 PolarHBondContact O-N 2.84Å; L934-S937 VanDerWaalsContact O-N 3.15Å; L934-P938 WeakPolarHBondContact O-CD 3.46Å
935	A	70.9	Confident	67.5	Low	32 Å²	32	38 Å²	38	26%	0.264	23%	0.227	S	C	.	.	H	α-helix	trans	-66.7	-23.6	177.2	0	0	0	0	0	113	L923 Q931 R939	L923-A935 HydrophobicContact CD1-CB 3.96Å; L923-A935 HydrophobicContact CD2-CB 4.25Å; L923-A935 HydrophobicContact CG-CB 4.31Å; Q931-A935 WeakPolarHBondContact O-CB 3.49Å; Q931-A935 PolarHBondContact O-N 3.43Å; A935-R939 VanDerWaalsContact C-NH2 3.29Å; A935-R939 VanDerWaalsContact O-CZ 3.31Å; A935-R939 PolarHBondContact O-NE 3.49Å; A935-R939 PolarHBondContact O-NH2 2.93Å
936	L	75.4	Confident	68.1	Low	3 Å²	3	39.8 Å²	39.8	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-78.8	-33.6	171.8	-79.6	170.8	0	0	0	112.6	F917 C932 I933 L934 P938 R939 L940 V973	F917-L936 HydrophobicContact CE2-CD1 3.82Å; F917-L936 HydrophobicContact CZ-CD1 3.56Å; C932-L936 WeakPolarHBondContact O-CB 3.37Å; C932-L936 VanDerWaalsContact O-CG 3.3Å; C932-L936 WeakPolarHBondContact O-CG 3.4Å; C932-L936 PolarHBondContact O-N 3.3Å; I933-L936 PolarHBondContact O-N 2.91Å; L934-L936 PolarHBondContact O-N 3.45Å; L936-P938 VanDerWaalsContact O-N 3.15Å; L936-R939 CarbonylContact O-C 3.48Å; L936-R939 WeakPolarHBondContact O-CA 3.49Å; L936-R939 WeakPolarHBondContact O-CB 3.45Å; L936-R939 PolarHBondContact O-N 3.01Å; L936-L940 HydrophobicContact CB-CD1 3.96Å; L936-L940 HydrophobicContact CB-CG 4.21Å; L936-L940 WeakPolarHBondContact O-CG 3.38Å; L936-L940 PolarHBondContact O-N 2.88Å; L936-L940 VanDerWaalsContact O-N 3.15Å; L936-V973 HydrophobicContact CD1-CG1 3.92Å; L936-V973 HydrophobicContact CD2-CG1 3.72Å; L936-V973 HydrophobicContact CD2-CG2 4.4Å
937	S	73.1	Confident	68.8	Low	23 Å²	23	41 Å²	41	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-47.2	-48.5	-169.7	-164.5	0	0	0	0	115	I933 L934 R939 L940 T941 C1068	I933-S937 PolarHBondContact O-N 2.79Å; L934-S937 WeakPolarHBondContact O-CB 3.29Å; L934-S937 PolarHBondContact O-N 2.84Å; L934-S937 VanDerWaalsContact O-N 3.15Å; S937-R939 PolarHBondContact O-N 3.22Å; S937-L940 PolarHBondContact O-N 3.44Å; S937-T941 PolarHBondContact O-N 2.99Å; S937-C1068 WeakPolarHBondContact OG-CB 3.26Å
938	P	66.9	Low	69.3	Low	95 Å²	95	42.3 Å²	42.3	62%	0.617	25%	0.252	S	S	*	.	H	α-helix	trans	-65.8	-20.1	178.5	-20.2	33.8	0	0	0	114.4	L934 L936 T941	L934-P938 WeakPolarHBondContact O-CD 3.46Å; L936-P938 VanDerWaalsContact O-N 3.15Å; P938-T941 PolarHBondContact O-OG1 2.94Å
939	R	69.3	Low	69.7	Low	17 Å²	17	41.4 Å²	41.4	6%	0.064	25%	0.247	C	C	.	.	H	α-helix	trans	-91.1	-12.6	176.9	-57.8	177	-85.2	173.2	-17.6	112.6	C921 A935 L936 S937 L970	C921-R939 PolarHBondContact O-NH1 3.08Å; C921-R939 PolarHBondContact O-NH2 3.45Å; A935-R939 VanDerWaalsContact C-NH2 3.29Å; A935-R939 VanDerWaalsContact O-CZ 3.31Å; A935-R939 PolarHBondContact O-NE 3.49Å; A935-R939 PolarHBondContact O-NH2 2.93Å; L936-R939 CarbonylContact O-C 3.48Å; L936-R939 WeakPolarHBondContact O-CA 3.49Å; L936-R939 WeakPolarHBondContact O-CB 3.45Å; L936-R939 PolarHBondContact O-N 3.01Å; S937-R939 PolarHBondContact O-N 3.22Å; R939-L970 HydrophobicContact CB-CD2 4.09Å; R939-L970 VanDerWaalsContact O-CD1 3.27Å; R939-L970 WeakPolarHBondContact O-CD1 3.24Å
940	L	70.6	Confident	69.7	Low	3 Å²	3	42.5 Å²	42.5	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-91.9	-12	176.3	-58.4	176	0	0	0	112.1	L936 S937 L948 L949 F951 L1070	L936-L940 HydrophobicContact CB-CD1 3.96Å; L936-L940 HydrophobicContact CB-CG 4.21Å; L936-L940 WeakPolarHBondContact O-CG 3.38Å; L936-L940 PolarHBondContact O-N 2.88Å; L936-L940 VanDerWaalsContact O-N 3.15Å; S937-L940 PolarHBondContact O-N 3.44Å; L940-L948 WeakPolarHBondContact O-CB 3.43Å; L940-L948 PolarHBondContact O-N 2.87Å; L940-L949 HydrophobicContact CB-CB 4.42Å; L940-L949 HydrophobicContact CD2-CB 3.87Å; L940-L949 HydrophobicContact CD2-CD1 3.47Å; L940-L949 VanDerWaalsContact CD2-CD1 3.47Å; L940-L949 HydrophobicContact CD2-CG 4.31Å; L940-F951 HydrophobicContact CD1-CE2 4.12Å; L940-F951 HydrophobicContact CD1-CZ 4.47Å; L940-L1070 HydrophobicContact CB-CD1 4.37Å; L940-L1070 HydrophobicContact CB-CD2 4.38Å; L940-L1070 HydrophobicContact CD1-CD1 3.67Å
941	T	66.7	Low	70.2	Confident	42 Å²	42	42 Å²	42	26%	0.258	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-95.5	141.3	169.3	41.5	0	0	0	0	112.4	S937 P938	S937-T941 PolarHBondContact O-N 2.99Å; P938-T941 PolarHBondContact O-OG1 2.94Å
942	G	63.1	Low	70.7	Confident	9 Å²	9	41.4 Å²	41.4	9%	0.093	25%	0.249	C	C	.	.			trans	-81.2	176.9	172.4	0	0	0	0	0	112.9	D944 N945 S946	G942-D944 PolarHBondContact O-N 2.88Å; G942-D944 VanDerWaalsContact O-N 3.16Å; G942-N945 PolarHBondContact O-N 2.79Å; G942-N945 VanDerWaalsContact O-N 3.07Å; G942-S946 PolarHBondContact N-O 3.21Å
943	P	57.5	Low	70.8	Confident	128 Å²	128	42.8 Å²	42.8	83%	0.831	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24	-176	25.9	-35	0	0	0	114.1
944	D	56.9	Low	70.4	Confident	140 Å²	140	47.7 Å²	47.7	75%	0.749	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	19.8	178.6	-50.4	-59.2	0	0	0	112.9	G942 S946	G942-D944 PolarHBondContact O-N 2.88Å; G942-D944 VanDerWaalsContact O-N 3.16Å; D944-S946 PolarHBondContact O-N 3.41Å; D944-S946 VanDerWaalsContact O-N 3.08Å
945	N	60.9	Low	70.5	Confident	137 Å²	137	49.3 Å²	49.3	73%	0.733	30%	0.299	S	S	*	.	S	Bend	trans	57.8	10.8	-170	-85.5	-9.1	0	0	0	115.6	G942	G942-N945 PolarHBondContact O-N 2.79Å; G942-N945 VanDerWaalsContact O-N 3.07Å
946	S	64.8	Low	70.6	Confident	56 Å²	56	52.2 Å²	52.2	39%	0.392	32%	0.315	S	S	.	.			trans	-72.7	134.2	172.4	49.2	0	0	0	0	111.1	G942 D944 L948	G942-S946 PolarHBondContact N-O 3.21Å; D944-S946 PolarHBondContact O-N 3.41Å; D944-S946 VanDerWaalsContact O-N 3.08Å; S946-L948 PolarHBondContact O-N 3.18Å
947	P	67.2	Low	71	Confident	52 Å²	52	54.2 Å²	54.2	34%	0.338	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-71.5	122.6	178.7	28.1	-33.4	0	0	0	110.7	L949 L950 Q963	P947-L949 VanDerWaalsContact C-N 3.34Å; P947-L950 HydrophobicContact CB-CD2 3.66Å; P947-L950 HydrophobicContact CB-CG 3.99Å; P947-L950 HydrophobicContact CG-CD1 4.28Å; P947-L950 HydrophobicContact CG-CD2 3.81Å; P947-L950 HydrophobicContact CG-CG 4.08Å; P947-Q963 VanDerWaalsContact O-CB 3.3Å; P947-Q963 WeakPolarHBondContact O-CB 3.48Å
948	L	71.8	Confident	71.5	Confident	38 Å²	38	53.2 Å²	53.2	20%	0.199	32%	0.316	C	S	.	.	S	Bend	trans	-76.8	-26	172.7	-61.3	171.5	0	0	0	111.8	L940 S946 Q963 L966	L940-L948 WeakPolarHBondContact O-CB 3.43Å; L940-L948 PolarHBondContact O-N 2.87Å; S946-L948 PolarHBondContact O-N 3.18Å; L948-Q963 PolarHBondContact O-N 2.89Å; L948-L966 HydrophobicContact CB-CD1 4.36Å
949	L	77.8	Confident	72.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.8	-177.5	-86	163.3	0	0	0	108.8	L940 P947 L960 E961 L962 L966 V974	L940-L949 HydrophobicContact CB-CB 4.42Å; L940-L949 HydrophobicContact CD2-CB 3.87Å; L940-L949 HydrophobicContact CD2-CD1 3.47Å; L940-L949 VanDerWaalsContact CD2-CD1 3.47Å; L940-L949 HydrophobicContact CD2-CG 4.31Å; P947-L949 VanDerWaalsContact C-N 3.34Å; L949-L960 HydrophobicContact CB-CD2 4.39Å; L949-L960 HydrophobicContact CD2-CB 4.2Å; L949-L960 HydrophobicContact CD2-CD2 4.37Å; L949-E961 WeakPolarHBondContact CA-O 3.31Å; L949-L962 HydrophobicContact CD2-CD2 3.66Å; L949-L962 HydrophobicContact CD2-CG 4.09Å; L949-L962 HydrophobicContact CG-CD2 4.24Å; L949-L966 HydrophobicContact CD1-CD1 3.72Å; L949-L966 HydrophobicContact CD1-CD2 4.07Å; L949-L966 HydrophobicContact CG-CD1 4.14Å; L949-V974 HydrophobicContact CD1-CG2 3.66Å; L949-V974 HydrophobicContact CD2-CG2 4.04Å
950	L	79.5	Confident	72.9	Confident	26 Å²	26	52 Å²	52	14%	0.136	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.3	175.9	-74.2	174	0	0	0	110.8	P947 E961 Q963 L1070	P947-L950 HydrophobicContact CB-CD2 3.66Å; P947-L950 HydrophobicContact CB-CG 3.99Å; P947-L950 HydrophobicContact CG-CD1 4.28Å; P947-L950 HydrophobicContact CG-CD2 3.81Å; P947-L950 HydrophobicContact CG-CG 4.08Å; L950-E961 PolarHBondContact N-O 3.03Å; L950-E961 PolarHBondContact O-N 3.12Å; L950-Q963 HydrophobicContact CD1-CG 4.11Å; L950-Q963 HydrophobicContact CG-CG 4.21Å; L950-L1070 WeakPolarHBondContact CD2-O 3.41Å
951	F	81.4	Confident	73.3	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.9	169.2	-66.9	-86.3	0	0	0	109.9	I933 L940 L953 P958 N959 L960 Y977 I1061 A1065 L1070 K1072	I933-F951 HydrophobicContact CD1-CE1 4.37Å; I933-F951 HydrophobicContact CD1-CZ 3.91Å; I933-F951 HydrophobicContact CG2-CE2 4.1Å; I933-F951 HydrophobicContact CG2-CZ 4.19Å; L940-F951 HydrophobicContact CD1-CE2 4.12Å; L940-F951 HydrophobicContact CD1-CZ 4.47Å; F951-L953 HydrophobicContact CB-CD2 3.84Å; F951-L953 HydrophobicContact CB-CG 4.24Å; F951-L953 PolarHBondContact O-N 3.13Å; F951-P958 HydrophobicContact CD1-CB 4.47Å; F951-N959 WeakPolarHBondContact CA-O 3.47Å; F951-L960 HydrophobicContact CD1-CD2 3.83Å; F951-L960 HydrophobicContact CD1-CG 4.26Å; F951-L960 HydrophobicContact CD2-CD2 4.31Å; F951-L960 HydrophobicContact CE1-CD2 3.51Å; F951-L960 HydrophobicContact CE1-CG 3.89Å; F951-L960 HydrophobicContact CE2-CD2 4.03Å; F951-L960 HydrophobicContact CG-CD2 4.21Å; F951-L960 HydrophobicContact CZ-CD2 3.61Å; F951-L960 HydrophobicContact CZ-CG 4.37Å; F951-Y977 HydrophobicContact CE1-CE1 4.47Å; F951-Y977 HydrophobicContact CE1-CE2 4.05Å; F951-Y977 AromaticContact CE1-CZ 3.81Å; F951-I1061 HydrophobicContact CE1-CG2 4.39Å; F951-A1065 HydrophobicContact CB-CB 3.86Å; F951-A1065 HydrophobicContact CD1-CB 4.44Å; F951-A1065 HydrophobicContact CD2-CB 3.61Å; F951-A1065 HydrophobicContact CE2-CB 4.28Å; F951-A1065 HydrophobicContact CG-CB 3.71Å; F951-L1070 HydrophobicContact CD2-CB 3.78Å; F951-L1070 HydrophobicContact CD2-CD1 4.4Å; F951-L1070 HydrophobicContact CE2-CB 4.21Å; F951-L1070 HydrophobicContact CE2-CD1 3.99Å; F951-L1070 PolarHBondContact N-O 3.47Å; F951-K1072 PolarHBondContact O-N 2.63Å; F951-K1072 VanDerWaalsContact O-N 3.1Å
952	N	81.2	Confident	73.9	Confident	24 Å²	24	57.2 Å²	57.2	13%	0.128	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107	163.4	-171.2	-17.9	0	0	0	108.4	S954 N959 E961	N952-S954 VanDerWaalsContact OD1-CB 3.23Å; N952-S954 WeakPolarHBondContact OD1-CB 3.36Å; N952-S954 PolarHBondContact OD1-N 3.37Å; N952-S954 VanDerWaalsContact OD1-N 3.09Å; N952-S954 PolarHBondContact OD1-OG 2.84Å; N952-N959 PolarHBondContact N-O 2.96Å; N952-N959 PolarHBondContact O-N 2.94Å; N952-E961 HydrophobicContact CB-CG 4.25Å; N952-E961 WeakPolarHBondContact CB-OE1 3.48Å; N952-E961 PolarHBondContact ND2-OE1 3.22Å
953	L	81.2	Confident	74.3	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.157	35%	0.348	C	S	.	.			trans	-96.3	11.2	-179	-58.5	-174.8	0	0	0	113.1	F951 P958 A1065 L1066	F951-L953 HydrophobicContact CB-CD2 3.84Å; F951-L953 HydrophobicContact CB-CG 4.24Å; F951-L953 PolarHBondContact O-N 3.13Å; L953-P958 HydrophobicContact CD2-CB 3.89Å; L953-P958 HydrophobicContact CD2-CG 4.11Å; L953-A1065 HydrophobicContact CD1-CB 4.1Å; L953-A1065 HydrophobicContact CD2-CB 4.02Å; L953-L1066 HydrophobicContact CD1-CD2 3.71Å; L953-L1066 HydrophobicContact CD1-CG 3.78Å
954	S	70.6	Confident	74.8	Confident	102 Å²	102	57.4 Å²	57.4	71%	0.713	33%	0.327	S	S	*	.	S	Bend	trans	-74.8	-28.3	179.9	-40.7	0	0	0	0	112.5	N952	N952-S954 VanDerWaalsContact OD1-CB 3.23Å; N952-S954 WeakPolarHBondContact OD1-CB 3.36Å; N952-S954 PolarHBondContact OD1-N 3.37Å; N952-S954 VanDerWaalsContact OD1-N 3.09Å; N952-S954 PolarHBondContact OD1-OG 2.84Å
955	D	73.8	Confident	75.2	Confident	77 Å²	77	59.1 Å²	59.1	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	-93.6	152.6	176.7	-68.2	-53	0	0	0	110.9	Y957	D955-Y957 PolarHBondContact O-N 2.63Å; D955-Y957 VanDerWaalsContact O-N 3.1Å
956	P	73.3	Confident	75.5	Confident	93 Å²	93	53.5 Å²	53.5	60%	0.604	31%	0.305	S	S	*	.	S	Bend	trans	-65.4	-9.6	172.1	28.2	-35.5	0	0	0	113.6
957	Y	84.1	Confident	75.8	Confident	44 Å²	44	53.3 Å²	53.3	17%	0.173	30%	0.303	C	S	.	.	S	Bend	trans	-117.4	100.2	174.6	-60.4	-72.8	0	0	0	108.5	D955 N959 K985 L988 L1058	D955-Y957 PolarHBondContact O-N 2.63Å; D955-Y957 VanDerWaalsContact O-N 3.1Å; Y957-N959 PolarHBondContact O-N 3Å; Y957-N959 PolarHBondContact O-ND2 3.32Å; Y957-K985 HydrophobicContact CD1-CB 4Å; Y957-K985 HydrophobicContact CD1-CG 4.47Å; Y957-K985 HydrophobicContact CD2-CD 4.07Å; Y957-K985 HydrophobicContact CD2-CG 4.42Å; Y957-K985 HydrophobicContact CE1-CB 3.67Å; Y957-K985 HydrophobicContact CE1-CG 3.99Å; Y957-K985 HydrophobicContact CE2-CB 4.47Å; Y957-K985 HydrophobicContact CE2-CD 3.93Å; Y957-K985 HydrophobicContact CE2-CG 3.93Å; Y957-K985 HydrophobicContact CG-CD 4.47Å; Y957-L988 HydrophobicContact CE1-CD1 4.1Å; Y957-L1058 HydrophobicContact CD1-CD1 4.14Å; Y957-L1058 HydrophobicContact CD1-CD2 4.42Å; Y957-L1058 HydrophobicContact CE1-CD1 4.09Å
958	P	82.9	Confident	76	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.013	31%	0.314	C	S	.	.			trans	-62.9	121.9	-174.8	-27.1	37	0	0	0	112.9	F951 L953 Y977 I1061	F951-P958 HydrophobicContact CD1-CB 4.47Å; L953-P958 HydrophobicContact CD2-CB 3.89Å; L953-P958 HydrophobicContact CD2-CG 4.11Å; P958-Y977 VanDerWaalsContact O-CE1 3.29Å; P958-Y977 WeakPolarHBondContact O-CE1 3.48Å; P958-Y977 PolarHBondContact O-OH 2.94Å; P958-I1061 HydrophobicContact CB-CG2 4.04Å; P958-I1061 HydrophobicContact CG-CG2 4.07Å
959	N	82.9	Confident	75.9	Confident	66 Å²	66	58.3 Å²	58.3	35%	0.353	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.8	-179	-66.7	-59.4	0	0	0	111.6	F951 N952 Y957	F951-N959 WeakPolarHBondContact CA-O 3.47Å; N952-N959 PolarHBondContact N-O 2.96Å; N952-N959 PolarHBondContact O-N 2.94Å; Y957-N959 PolarHBondContact O-N 3Å; Y957-N959 PolarHBondContact O-ND2 3.32Å
960	L	83.3	Confident	75.7	Confident	22 Å²	22	58.7 Å²	58.7	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.8	176.3	-85.5	175.2	0	0	0	111.2	L949 F951 V974 Y977	L949-L960 HydrophobicContact CB-CD2 4.39Å; L949-L960 HydrophobicContact CD2-CB 4.2Å; L949-L960 HydrophobicContact CD2-CD2 4.37Å; F951-L960 HydrophobicContact CD1-CD2 3.83Å; F951-L960 HydrophobicContact CD1-CG 4.26Å; F951-L960 HydrophobicContact CD2-CD2 4.31Å; F951-L960 HydrophobicContact CE1-CD2 3.51Å; F951-L960 HydrophobicContact CE1-CG 3.89Å; F951-L960 HydrophobicContact CE2-CD2 4.03Å; F951-L960 HydrophobicContact CG-CD2 4.21Å; F951-L960 HydrophobicContact CZ-CD2 3.61Å; F951-L960 HydrophobicContact CZ-CG 4.37Å; L960-V974 HydrophobicContact CD1-CG2 4.3Å; L960-Y977 HydrophobicContact CB-CD1 4.37Å; L960-Y977 HydrophobicContact CB-CE1 4.47Å; L960-Y977 HydrophobicContact CD1-CD1 3.49Å; L960-Y977 VanDerWaalsContact CD1-CD1 3.49Å; L960-Y977 HydrophobicContact CD1-CD2 4.32Å; L960-Y977 HydrophobicContact CD1-CE1 4Å; L960-Y977 HydrophobicContact CD1-CG 3.68Å; L960-Y977 HydrophobicContact CG-CD1 3.83Å; L960-Y977 HydrophobicContact CG-CE1 3.85Å; L960-Y977 HydrophobicContact CG-CG 4.43Å
961	E	79.5	Confident	75.8	Confident	51 Å²	51	61.7 Å²	61.7	24%	0.238	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.5	177.2	-68.7	-172.5	-164.8	0	0	112.3	L949 L950 N952 K1072	L949-E961 WeakPolarHBondContact CA-O 3.31Å; L950-E961 PolarHBondContact N-O 3.03Å; L950-E961 PolarHBondContact O-N 3.12Å; N952-E961 HydrophobicContact CB-CG 4.25Å; N952-E961 WeakPolarHBondContact CB-OE1 3.48Å; N952-E961 PolarHBondContact ND2-OE1 3.22Å; E961-K1072 IonicContact OE1-NZ 2.64Å; E961-K1072 PolarHBondContact OE1-NZ 2.88Å; E961-K1072 WeakPolarHBondContact OE2-CD 3.2Å; E961-K1072 WeakPolarHBondContact OE2-CE 3.46Å; E961-K1072 IonicContact OE2-NZ 2.6Å; E961-K1072 PolarHBondContact OE2-NZ 2.9Å
962	L	78.6	Confident	75.8	Confident	103 Å²	103	67.7 Å²	67.7	54%	0.539	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.9	175.7	-69	162	0	0	0	111.9	L949 L966	L949-L962 HydrophobicContact CD2-CD2 3.66Å; L949-L962 HydrophobicContact CD2-CG 4.09Å; L949-L962 HydrophobicContact CG-CD2 4.24Å; L962-L966 HydrophobicContact CD2-CB 4.16Å; L962-L966 HydrophobicContact CD2-CD1 4.41Å; L962-L966 HydrophobicContact CD2-CD2 3.83Å; L962-L966 HydrophobicContact CD2-CG 4.36Å
963	Q	72.1	Confident	75.9	Confident	103 Å²	103	66.8 Å²	66.8	48%	0.481	36%	0.361	S	S	.	.			trans	-109.1	-9.5	175.4	-56.1	-58.6	-44.9	0	0	113.3	P947 L948 L950	P947-Q963 VanDerWaalsContact O-CB 3.3Å; P947-Q963 WeakPolarHBondContact O-CB 3.48Å; L948-Q963 PolarHBondContact O-N 2.89Å; L950-Q963 HydrophobicContact CD1-CG 4.11Å; L950-Q963 HydrophobicContact CG-CG 4.21Å
964	G	66.8	Low	76.1	Confident	38 Å²	38	66 Å²	66	39%	0.392	36%	0.357	S	S	.	.	S	Bend	trans	-162.6	-174.3	-176.2	0	0	0	0	0	114.9	L966	G964-L966 PolarHBondContact O-N 2.65Å
965	L	65.8	Low	77	Confident	175 Å²	175	65.4 Å²	65.4	92%	0.916	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-70.6	118.5	176.7	-74.5	172.6	0	0	0	110.7
966	L	67.9	Low	77.7	Confident	20 Å²	20	62.4 Å²	62.4	11%	0.105	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-101.3	131.4	-171.6	-158.6	76.5	0	0	0	112.4	L948 L949 L962 G964 L970 K971 V974	L948-L966 HydrophobicContact CB-CD1 4.36Å; L949-L966 HydrophobicContact CD1-CD1 3.72Å; L949-L966 HydrophobicContact CD1-CD2 4.07Å; L949-L966 HydrophobicContact CG-CD1 4.14Å; L962-L966 HydrophobicContact CD2-CB 4.16Å; L962-L966 HydrophobicContact CD2-CD1 4.41Å; L962-L966 HydrophobicContact CD2-CD2 3.83Å; L962-L966 HydrophobicContact CD2-CG 4.36Å; G964-L966 PolarHBondContact O-N 2.65Å; L966-L970 HydrophobicContact CD1-CB 3.96Å; L966-L970 HydrophobicContact CD1-CD1 4.19Å; L966-L970 HydrophobicContact CD2-CB 3.76Å; L966-L970 HydrophobicContact CG-CB 3.66Å; L966-K971 HydrophobicContact CB-CG 4.34Å; L966-K971 HydrophobicContact CD2-CG 4.07Å; L966-K971 WeakPolarHBondContact O-CE 3.5Å; L966-V974 HydrophobicContact CD2-CG2 3.91Å
967	P	71.2	Confident	78.5	Confident	51 Å²	51	58 Å²	58	33%	0.331	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-57.5	147.1	170.7	-26.5	34.7	0	0	0	113.7	V969 L970 K971	P967-V969 PolarHBondContact O-N 2.76Å; P967-V969 VanDerWaalsContact O-N 3.15Å; P967-L970 HydrophobicContact CG-CD1 4.35Å; P967-L970 PolarHBondContact O-N 2.83Å; P967-K971 PolarHBondContact O-N 3.06Å
968	E	70.4	Confident	78.7	Confident	122 Å²	122	58.5 Å²	58.5	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-55.3	-34.3	-178.5	-72.2	-58.9	140	0	0	114.2	L970 K971 K972	E968-L970 VanDerWaalsContact C-N 3.31Å; E968-L970 PolarHBondContact O-N 3.14Å; E968-K971 PolarHBondContact O-N 2.71Å; E968-K971 WeakPolarHBondContact OE1-CE 3.27Å; E968-K971 IonicContact OE1-NZ 2.71Å; E968-K971 PolarHBondContact OE1-NZ 2.92Å; E968-K972 PolarHBondContact O-N 2.74Å
969	V	68.9	Low	79.1	Confident	74 Å²	74	62.9 Å²	62.9	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-40.8	176	-178.9	0	0	0	0	111	P967	P967-V969 PolarHBondContact O-N 2.76Å; P967-V969 VanDerWaalsContact O-N 3.15Å
970	L	74.7	Confident	79.6	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-79.1	-29.5	179.9	-74.9	167.7	0	0	0	112.4	R939 L966 P967 E968 K972 V973 V974	R939-L970 HydrophobicContact CB-CD2 4.09Å; R939-L970 VanDerWaalsContact O-CD1 3.27Å; R939-L970 WeakPolarHBondContact O-CD1 3.24Å; L966-L970 HydrophobicContact CD1-CB 3.96Å; L966-L970 HydrophobicContact CD1-CD1 4.19Å; L966-L970 HydrophobicContact CD2-CB 3.76Å; L966-L970 HydrophobicContact CG-CB 3.66Å; P967-L970 HydrophobicContact CG-CD1 4.35Å; P967-L970 PolarHBondContact O-N 2.83Å; E968-L970 VanDerWaalsContact C-N 3.31Å; E968-L970 PolarHBondContact O-N 3.14Å; L970-K972 VanDerWaalsContact C-N 3.28Å; L970-K972 PolarHBondContact O-N 3.31Å; L970-V973 HydrophobicContact CD2-CG2 4.42Å; L970-V973 WeakPolarHBondContact O-CB 3.35Å; L970-V973 PolarHBondContact O-N 2.78Å; L970-V973 VanDerWaalsContact O-N 3.09Å; L970-V974 PolarHBondContact O-N 3.46Å
971	K	81.1	Confident	80	Confident	90 Å²	90	59.3 Å²	59.3	39%	0.391	31%	0.314	S	S	.	.	H	α-helix	trans	-56.6	-43.5	170.5	-65.8	-176.7	-170.7	173.6	0	111.6	L966 P967 E968 V973 V974 T975	L966-K971 HydrophobicContact CB-CG 4.34Å; L966-K971 HydrophobicContact CD2-CG 4.07Å; L966-K971 WeakPolarHBondContact O-CE 3.5Å; P967-K971 PolarHBondContact O-N 3.06Å; E968-K971 PolarHBondContact O-N 2.71Å; E968-K971 WeakPolarHBondContact OE1-CE 3.27Å; E968-K971 IonicContact OE1-NZ 2.71Å; E968-K971 PolarHBondContact OE1-NZ 2.92Å; K971-V973 VanDerWaalsContact C-N 3.32Å; K971-V973 PolarHBondContact O-N 2.7Å; K971-V974 PolarHBondContact O-N 2.78Å; K971-T975 PolarHBondContact O-N 2.72Å; K971-T975 PolarHBondContact O-OG1 3.44Å
972	K	82	Confident	80.6	Confident	127 Å²	127	62.2 Å²	62.2	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-61.1	-38.3	175.2	-66.8	177.4	-179.2	179.6	0	112.6	E968 L970 S976	E968-K972 PolarHBondContact O-N 2.74Å; L970-K972 VanDerWaalsContact C-N 3.28Å; L970-K972 PolarHBondContact O-N 3.31Å; K972-S976 WeakPolarHBondContact O-CB 3.18Å; K972-S976 PolarHBondContact O-N 3.26Å; K972-S976 VanDerWaalsContact O-N 3.1Å
973	V	83.6	Confident	81.2	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-50.3	175.1	176.5	0	0	0	0	110.6	F917 L920 L936 L970 K971 T975 S976 Y977	F917-V973 HydrophobicContact CE2-CG1 4Å; L920-V973 HydrophobicContact CB-CG2 4.24Å; L936-V973 HydrophobicContact CD1-CG1 3.92Å; L936-V973 HydrophobicContact CD2-CG1 3.72Å; L936-V973 HydrophobicContact CD2-CG2 4.4Å; L970-V973 HydrophobicContact CD2-CG2 4.42Å; L970-V973 WeakPolarHBondContact O-CB 3.35Å; L970-V973 PolarHBondContact O-N 2.78Å; L970-V973 VanDerWaalsContact O-N 3.09Å; K971-V973 VanDerWaalsContact C-N 3.32Å; K971-V973 PolarHBondContact O-N 2.7Å; V973-T975 PolarHBondContact O-N 3.3Å; V973-S976 PolarHBondContact O-N 3.18Å; V973-Y977 WeakPolarHBondContact O-CB 3.43Å; V973-Y977 PolarHBondContact O-N 2.87Å
974	V	85.4	Confident	82.1	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.085	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-51.5	179.7	177.4	0	0	0	0	110.6	L949 L960 L966 L970 K971 S976 Y977 D978	L949-V974 HydrophobicContact CD1-CG2 3.66Å; L949-V974 HydrophobicContact CD2-CG2 4.04Å; L960-V974 HydrophobicContact CD1-CG2 4.3Å; L966-V974 HydrophobicContact CD2-CG2 3.91Å; L970-V974 PolarHBondContact O-N 3.46Å; K971-V974 PolarHBondContact O-N 2.78Å; V974-S976 VanDerWaalsContact C-N 3.26Å; V974-S976 PolarHBondContact O-N 3.3Å; V974-Y977 WeakPolarHBondContact O-CA 3.43Å; V974-Y977 WeakPolarHBondContact O-CB 3.29Å; V974-Y977 PolarHBondContact O-N 2.89Å; V974-D978 PolarHBondContact O-N 2.88Å
975	T	88.3	Confident	83.4	Confident	89 Å²	89	55.8 Å²	55.8	55%	0.546	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-33.6	178.5	-53.9	0	0	0	0	113.3	K971 V973 M979	K971-T975 PolarHBondContact O-N 2.72Å; K971-T975 PolarHBondContact O-OG1 3.44Å; V973-T975 PolarHBondContact O-N 3.3Å; T975-M979 WeakPolarHBondContact O-CB 3.49Å; T975-M979 PolarHBondContact O-N 2.87Å
976	S	88.6	Confident	84.7	Confident	15 Å²	15	51.6 Å²	51.6	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-75.6	-31.5	175.4	-167.6	0	0	0	0	113.1	F917 L920 K972 V973 V974 M980	F917-S976 WeakPolarHBondContact CA-OG 3.25Å; F917-S976 PolarHBondContact N-OG 3.16Å; L920-S976 VanDerWaalsContact CD1-CB 3.48Å; K972-S976 WeakPolarHBondContact O-CB 3.18Å; K972-S976 PolarHBondContact O-N 3.26Å; K972-S976 VanDerWaalsContact O-N 3.1Å; V973-S976 PolarHBondContact O-N 3.18Å; V974-S976 VanDerWaalsContact C-N 3.26Å; V974-S976 PolarHBondContact O-N 3.3Å; S976-M980 WeakPolarHBondContact O-CB 3.32Å; S976-M980 PolarHBondContact O-N 2.69Å; S976-M980 VanDerWaalsContact O-N 3.11Å
977	Y	89.9	Confident	85.8	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-46.1	172.8	178.5	-90.6	0	0	0	110.9	F917 I933 F951 P958 L960 V973 V974 M979 M980 I981 I1061	F917-Y977 HydrophobicContact CD2-CD2 4.35Å; F917-Y977 HydrophobicContact CE1-CD2 4.29Å; F917-Y977 AromaticContact CE2-CD2 3.74Å; F917-Y977 HydrophobicContact CE2-CD2 3.74Å; F917-Y977 HydrophobicContact CE2-CG 4.23Å; F917-Y977 AromaticContact CZ-CD2 3.7Å; F917-Y977 HydrophobicContact CZ-CD2 3.7Å; F917-Y977 HydrophobicContact CZ-CE2 4.49Å; I933-Y977 HydrophobicContact CD1-CE2 4.49Å; F951-Y977 HydrophobicContact CE1-CE1 4.47Å; F951-Y977 HydrophobicContact CE1-CE2 4.05Å; F951-Y977 AromaticContact CE1-CZ 3.81Å; P958-Y977 VanDerWaalsContact O-CE1 3.29Å; P958-Y977 WeakPolarHBondContact O-CE1 3.48Å; P958-Y977 PolarHBondContact O-OH 2.94Å; L960-Y977 HydrophobicContact CB-CD1 4.37Å; L960-Y977 HydrophobicContact CB-CE1 4.47Å; L960-Y977 HydrophobicContact CD1-CD1 3.49Å; L960-Y977 VanDerWaalsContact CD1-CD1 3.49Å; L960-Y977 HydrophobicContact CD1-CD2 4.32Å; L960-Y977 HydrophobicContact CD1-CE1 4Å; L960-Y977 HydrophobicContact CD1-CG 3.68Å; L960-Y977 HydrophobicContact CG-CD1 3.83Å; L960-Y977 HydrophobicContact CG-CE1 3.85Å; L960-Y977 HydrophobicContact CG-CG 4.43Å; V973-Y977 WeakPolarHBondContact O-CB 3.43Å; V973-Y977 PolarHBondContact O-N 2.87Å; V974-Y977 WeakPolarHBondContact O-CA 3.43Å; V974-Y977 WeakPolarHBondContact O-CB 3.29Å; V974-Y977 PolarHBondContact O-N 2.89Å; Y977-M979 VanDerWaalsContact C-N 3.28Å; Y977-M979 PolarHBondContact O-N 3.15Å; Y977-M980 HydrophobicContact CD2-CE 3.63Å; Y977-M980 HydrophobicContact CE2-CE 3.73Å; Y977-M980 WeakPolarHBondContact O-CA 3.48Å; Y977-M980 WeakPolarHBondContact O-CB 3.4Å; Y977-M980 PolarHBondContact O-N 2.95Å; Y977-I981 HydrophobicContact CD1-CG1 4.04Å; Y977-I981 HydrophobicContact CE1-CD1 4.26Å; Y977-I981 HydrophobicContact CE1-CG1 3.54Å; Y977-I981 HydrophobicContact CE2-CD1 4.35Å; Y977-I981 HydrophobicContact CE2-CG1 4.27Å; Y977-I981 PolarHBondContact O-N 2.82Å; Y977-I1061 HydrophobicContact CE2-CD1 4.2Å; Y977-I1061 HydrophobicContact CE2-CG2 4.45Å; Y977-I1061 WeakPolarHBondContact OH-CG2 3.39Å
978	D	89.8	Confident	86.8	Confident	54 Å²	54	49 Å²	49	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-42.2	176.7	-58.8	-28.3	0	0	0	111	V974 M980 I981 Q982	V974-D978 PolarHBondContact O-N 2.88Å; D978-M980 VanDerWaalsContact C-N 3.35Å; D978-M980 PolarHBondContact O-N 2.84Å; D978-I981 PolarHBondContact O-N 2.93Å; D978-Q982 WeakPolarHBondContact O-CB 3.25Å; D978-Q982 VanDerWaalsContact O-CG 3.22Å; D978-Q982 WeakPolarHBondContact O-CG 3.26Å; D978-Q982 PolarHBondContact O-N 3.27Å
979	M	91.1	Very high	87.8	Confident	94 Å²	94	48.9 Å²	48.9	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-37.6	174.7	-170.5	63.3	57.5	0	0	112.7	A913 T975 Y977 T983	A913-M979 HydrophobicContact CB-CG 4.22Å; T975-M979 WeakPolarHBondContact O-CB 3.49Å; T975-M979 PolarHBondContact O-N 2.87Å; Y977-M979 VanDerWaalsContact C-N 3.28Å; Y977-M979 PolarHBondContact O-N 3.15Å; M979-T983 WeakPolarHBondContact O-CB 3.26Å; M979-T983 WeakPolarHBondContact O-CG2 3.44Å; M979-T983 PolarHBondContact O-N 2.75Å; M979-T983 PolarHBondContact O-OG1 3.39Å
980	M	92.1	Very high	88.9	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-44.4	175.3	-178.4	-171.5	71.1	0	0	111.5	A913 I914 F917 L929 S976 Y977 D978 T983 S984 I1061	A913-M980 HydrophobicContact CB-CB 4.25Å; I914-M980 HydrophobicContact CG1-CG 3.71Å; I914-M980 HydrophobicContact CG1-SD 3.94Å; F917-M980 HydrophobicContact CB-SD 4.05Å; F917-M980 HydrophobicContact CD1-CE 3.93Å; F917-M980 HydrophobicContact CD1-SD 3.6Å; F917-M980 VanDerWaalsContact CD1-SD 3.6Å; F917-M980 HydrophobicContact CE1-CE 4.1Å; F917-M980 HydrophobicContact CE1-SD 4.32Å; F917-M980 HydrophobicContact CG-CE 4.38Å; F917-M980 HydrophobicContact CG-SD 3.99Å; L929-M980 HydrophobicContact CD1-CE 4.4Å; L929-M980 HydrophobicContact CD1-SD 4.08Å; L929-M980 HydrophobicContact CD2-SD 3.97Å; S976-M980 WeakPolarHBondContact O-CB 3.32Å; S976-M980 PolarHBondContact O-N 2.69Å; S976-M980 VanDerWaalsContact O-N 3.11Å; Y977-M980 HydrophobicContact CD2-CE 3.63Å; Y977-M980 HydrophobicContact CE2-CE 3.73Å; Y977-M980 WeakPolarHBondContact O-CA 3.48Å; Y977-M980 WeakPolarHBondContact O-CB 3.4Å; Y977-M980 PolarHBondContact O-N 2.95Å; D978-M980 VanDerWaalsContact C-N 3.35Å; D978-M980 PolarHBondContact O-N 2.84Å; M980-T983 PolarHBondContact O-OG1 3.27Å; M980-S984 WeakPolarHBondContact O-CB 3.45Å; M980-S984 PolarHBondContact O-N 2.98Å; M980-S984 PolarHBondContact O-OG 2.99Å; M980-I1061 HydrophobicContact CE-CD1 3.72Å
981	I	92	Very high	89.7	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-40.9	177.5	-64.1	-61.8	0	0	0	111.1	Y977 D978 S984 K985 L1058 I1061	Y977-I981 HydrophobicContact CD1-CG1 4.04Å; Y977-I981 HydrophobicContact CE1-CD1 4.26Å; Y977-I981 HydrophobicContact CE1-CG1 3.54Å; Y977-I981 HydrophobicContact CE2-CD1 4.35Å; Y977-I981 HydrophobicContact CE2-CG1 4.27Å; Y977-I981 PolarHBondContact O-N 2.82Å; D978-I981 PolarHBondContact O-N 2.93Å; I981-S984 PolarHBondContact O-N 2.79Å; I981-K985 VanDerWaalsContact O-CB 3.31Å; I981-K985 WeakPolarHBondContact O-CB 3.36Å; I981-K985 PolarHBondContact O-N 2.8Å; I981-L1058 HydrophobicContact CD1-CD2 3.9Å; I981-I1061 HydrophobicContact CD1-CD1 4.1Å
982	Q	92.3	Very high	90.2	Very high	113 Å²	113	46.5 Å²	46.5	53%	0.528	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-47	176.4	-74.9	174.2	14.8	0	0	112.3	D978 K985 I986	D978-Q982 WeakPolarHBondContact O-CB 3.25Å; D978-Q982 VanDerWaalsContact O-CG 3.22Å; D978-Q982 WeakPolarHBondContact O-CG 3.26Å; D978-Q982 PolarHBondContact O-N 3.27Å; Q982-K985 PolarHBondContact O-N 3.4Å; Q982-I986 WeakPolarHBondContact O-CD1 3.42Å; Q982-I986 VanDerWaalsContact O-CG1 3.26Å; Q982-I986 WeakPolarHBondContact O-CG1 3.11Å; Q982-I986 PolarHBondContact O-N 2.94Å
983	T	91.9	Very high	90.7	Very high	21 Å²	21	44.3 Å²	44.3	13%	0.129	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-37.5	178.2	48.4	0	0	0	0	112.1	N909 A913 M979 M980 L987	N909-T983 HydrophobicContact CB-CG2 4.22Å; A913-T983 HydrophobicContact CB-CG2 4.34Å; A913-T983 WeakPolarHBondContact CB-OG1 3.4Å; M979-T983 WeakPolarHBondContact O-CB 3.26Å; M979-T983 WeakPolarHBondContact O-CG2 3.44Å; M979-T983 PolarHBondContact O-N 2.75Å; M979-T983 PolarHBondContact O-OG1 3.39Å; M980-T983 PolarHBondContact O-OG1 3.27Å; T983-L987 PolarHBondContact O-N 3.13Å; T983-L987 VanDerWaalsContact O-N 3.1Å
984	S	91.4	Very high	91.2	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-47.3	171.1	-66.3	0	0	0	0	112.4	M980 I981 L987 L988	M980-S984 WeakPolarHBondContact O-CB 3.45Å; M980-S984 PolarHBondContact O-N 2.98Å; M980-S984 PolarHBondContact O-OG 2.99Å; I981-S984 PolarHBondContact O-N 2.79Å; S984-L987 PolarHBondContact O-N 2.82Å; S984-L988 PolarHBondContact O-N 3.26Å; S984-L988 VanDerWaalsContact O-N 3.07Å
985	K	92.5	Very high	91.5	Very high	82 Å²	82	46.4 Å²	46.4	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-49	177	175.1	172.7	179.1	179.4	0	112	Y957 I981 Q982 L987 L988 E989	Y957-K985 HydrophobicContact CD1-CB 4Å; Y957-K985 HydrophobicContact CD1-CG 4.47Å; Y957-K985 HydrophobicContact CD2-CD 4.07Å; Y957-K985 HydrophobicContact CD2-CG 4.42Å; Y957-K985 HydrophobicContact CE1-CB 3.67Å; Y957-K985 HydrophobicContact CE1-CG 3.99Å; Y957-K985 HydrophobicContact CE2-CB 4.47Å; Y957-K985 HydrophobicContact CE2-CD 3.93Å; Y957-K985 HydrophobicContact CE2-CG 3.93Å; Y957-K985 HydrophobicContact CG-CD 4.47Å; I981-K985 VanDerWaalsContact O-CB 3.31Å; I981-K985 WeakPolarHBondContact O-CB 3.36Å; I981-K985 PolarHBondContact O-N 2.8Å; Q982-K985 PolarHBondContact O-N 3.4Å; K985-L987 PolarHBondContact O-N 3.1Å; K985-L988 PolarHBondContact O-N 2.64Å; K985-L988 VanDerWaalsContact O-N 3.12Å; K985-E989 WeakPolarHBondContact CE-OE1 3.45Å; K985-E989 WeakPolarHBondContact CE-OE2 3.44Å; K985-E989 HydrophobicContact CG-CG 4.3Å; K985-E989 IonicContact NZ-OE1 2.72Å; K985-E989 WeakPolarHBondContact O-CG 3.47Å; K985-E989 PolarHBondContact O-N 2.8Å
986	I	93.1	Very high	91.7	Very high	87 Å²	87	46.4 Å²	46.4	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-37.4	178.6	-67.5	163.2	0	0	0	111	L906 Q982 S990	L906-I986 HydrophobicContact CD2-CG2 3.77Å; Q982-I986 WeakPolarHBondContact O-CD1 3.42Å; Q982-I986 VanDerWaalsContact O-CG1 3.26Å; Q982-I986 WeakPolarHBondContact O-CG1 3.11Å; Q982-I986 PolarHBondContact O-N 2.94Å; I986-S990 WeakPolarHBondContact O-CB 3.34Å; I986-S990 PolarHBondContact O-N 3.22Å; I986-S990 PolarHBondContact O-OG 3.24Å
987	L	92.2	Very high	92	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-48	174.5	-168.5	155.5	0	0	0	111.6	L906 M910 T983 S984 K985 E989 S990 S991 A1050 R1051 V1054	L906-L987 HydrophobicContact CB-CG 4.42Å; M910-L987 HydrophobicContact CB-CD1 3.83Å; M910-L987 HydrophobicContact CE-CD1 3.79Å; M910-L987 HydrophobicContact CG-CD1 4.02Å; T983-L987 PolarHBondContact O-N 3.13Å; T983-L987 VanDerWaalsContact O-N 3.1Å; S984-L987 PolarHBondContact O-N 2.82Å; K985-L987 PolarHBondContact O-N 3.1Å; L987-E989 PolarHBondContact O-N 3.39Å; L987-S990 PolarHBondContact O-N 3.04Å; L987-S991 WeakPolarHBondContact O-CB 3.25Å; L987-S991 PolarHBondContact O-N 2.9Å; L987-S991 PolarHBondContact O-OG 3.04Å; L987-A1050 HydrophobicContact CD1-CB 4.18Å; L987-R1051 HydrophobicContact CD2-CB 4.12Å; L987-V1054 HydrophobicContact CD1-CG2 4.38Å; L987-V1054 HydrophobicContact CD2-CG2 4.3Å
988	L	91.6	Very high	92.1	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-40.3	177.8	-64.4	-169.8	0	0	0	112.7	Y957 S984 K985 R1051 V1054 Q1055 L1058	Y957-L988 HydrophobicContact CE1-CD1 4.1Å; S984-L988 PolarHBondContact O-N 3.26Å; S984-L988 VanDerWaalsContact O-N 3.07Å; K985-L988 PolarHBondContact O-N 2.64Å; K985-L988 VanDerWaalsContact O-N 3.12Å; L988-R1051 HydrophobicContact CD2-CB 4.48Å; L988-R1051 HydrophobicContact CD2-CG 3.69Å; L988-R1051 PolarHBondContact O-NH1 2.99Å; L988-V1054 HydrophobicContact CD1-CG1 3.99Å; L988-V1054 HydrophobicContact CD2-CB 4.08Å; L988-V1054 HydrophobicContact CD2-CG1 3.86Å; L988-V1054 HydrophobicContact CG-CB 4.5Å; L988-V1054 HydrophobicContact CG-CG1 3.76Å; L988-Q1055 HydrophobicContact CD2-CG 4.16Å; L988-L1058 HydrophobicContact CD1-CD1 4.02Å
989	E	91.8	Very high	92.2	Very high	120 Å²	120	49.4 Å²	49.4	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-75	-26.6	-178.6	-68.8	179.6	151.8	0	0	113.4	K985 L987	K985-E989 WeakPolarHBondContact CE-OE1 3.45Å; K985-E989 WeakPolarHBondContact CE-OE2 3.44Å; K985-E989 HydrophobicContact CG-CG 4.3Å; K985-E989 IonicContact NZ-OE1 2.72Å; K985-E989 WeakPolarHBondContact O-CG 3.47Å; K985-E989 PolarHBondContact O-N 2.8Å; L987-E989 PolarHBondContact O-N 3.39Å
990	S	92.1	Very high	92.3	Very high	42 Å²	42	50.4 Å²	50.4	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-103.3	-25	-175.3	-47.3	0	0	0	0	114.7	I986 L987 D992 C993 V994	I986-S990 WeakPolarHBondContact O-CB 3.34Å; I986-S990 PolarHBondContact O-N 3.22Å; I986-S990 PolarHBondContact O-OG 3.24Å; L987-S990 PolarHBondContact O-N 3.04Å; S990-D992 PolarHBondContact O-N 3.2Å; S990-C993 PolarHBondContact O-N 3.09Å; S990-V994 PolarHBondContact O-N 3.29Å
991	S	91.2	Very high	92.3	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-43.3	-168.9	40.2	0	0	0	0	113.6	L987 C993 V994 Y995 L1047 R1051	L987-S991 WeakPolarHBondContact O-CB 3.25Å; L987-S991 PolarHBondContact O-N 2.9Å; L987-S991 PolarHBondContact O-OG 3.04Å; S991-C993 PolarHBondContact O-N 2.69Å; S991-V994 PolarHBondContact O-N 3.04Å; S991-Y995 VanDerWaalsContact O-CB 3.28Å; S991-Y995 WeakPolarHBondContact O-CB 3.44Å; S991-Y995 PolarHBondContact O-N 3.44Å; S991-L1047 WeakPolarHBondContact O-CD2 3.24Å; S991-R1051 PolarHBondContact OG-NH1 2.8Å
992	D	91.4	Very high	92.3	Very high	77 Å²	77	52 Å²	52	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-43.2	-175.8	-53.6	-38.9	0	0	0	111.8	S990 V994 Y995 E996 R1051	S990-D992 PolarHBondContact O-N 3.2Å; D992-V994 PolarHBondContact O-N 3.23Å; D992-Y995 PolarHBondContact O-N 3.26Å; D992-E996 WeakPolarHBondContact O-CG 3.34Å; D992-E996 PolarHBondContact O-N 3.14Å; D992-R1051 VanDerWaalsContact CG-CZ 3.41Å; D992-R1051 VanDerWaalsContact CG-NH1 3.34Å; D992-R1051 VanDerWaalsContact CG-NH2 3.3Å; D992-R1051 IonicContact OD1-CZ 2.8Å; D992-R1051 IonicContact OD1-NE 2.73Å; D992-R1051 PolarHBondContact OD1-NE 3.48Å; D992-R1051 IonicContact OD1-NH1 3.42Å; D992-R1051 PolarHBondContact OD1-NH1 3.39Å; D992-R1051 IonicContact OD1-NH2 2.67Å; D992-R1051 PolarHBondContact OD1-NH2 3.32Å; D992-R1051 VanDerWaalsContact OD1-NH2 3.12Å; D992-R1051 IonicContact OD2-CZ 3.55Å; D992-R1051 IonicContact OD2-NH1 3.61Å; D992-R1051 PolarHBondContact OD2-NH1 2.71Å; D992-R1051 IonicContact OD2-NH2 2.81Å; D992-R1051 PolarHBondContact OD2-NH2 2.74Å
993	C	93.6	Very high	92.2	Very high	81 Å²	81	53.9 Å²	53.9	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-35.8	178	-178.6	0	0	0	0	112.7	S990 S991 R997	S990-C993 PolarHBondContact O-N 3.09Å; S991-C993 PolarHBondContact O-N 2.69Å; C993-R997 WeakPolarHBondContact O-CD 3.49Å; C993-R997 WeakPolarHBondContact O-CG 3.34Å; C993-R997 PolarHBondContact O-N 2.9Å
994	V	93.3	Very high	92.2	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-74.3	-39.4	176.8	177.4	0	0	0	0	111.1	P899 E902 A903 L906 S990 S991 D992 R997 I998 L1047	P899-V994 HydrophobicContact CB-CG1 4.4Å; P899-V994 WeakPolarHBondContact O-CG1 3.45Å; E902-V994 HydrophobicContact CB-CG1 4.2Å; E902-V994 HydrophobicContact CB-CG2 4.11Å; A903-V994 HydrophobicContact CB-CG1 3.83Å; L906-V994 HydrophobicContact CD1-CG2 4.3Å; S990-V994 PolarHBondContact O-N 3.29Å; S991-V994 PolarHBondContact O-N 3.04Å; D992-V994 PolarHBondContact O-N 3.23Å; V994-R997 PolarHBondContact O-N 2.92Å; V994-I998 HydrophobicContact CG1-CD1 4.19Å; V994-I998 WeakPolarHBondContact O-CG1 3.37Å; V994-I998 PolarHBondContact O-N 2.87Å; V994-I998 VanDerWaalsContact O-N 3.11Å; V994-L1047 HydrophobicContact CB-CD2 3.98Å; V994-L1047 HydrophobicContact CG1-CD2 3.9Å
995	Y	92.1	Very high	92.1	Very high	56 Å²	56	54.1 Å²	54.1	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-50.3	175	179.6	-92.8	0	0	0	111.2	S991 D992 R997 I998 L999 A1044 K1048	S991-Y995 VanDerWaalsContact O-CB 3.28Å; S991-Y995 WeakPolarHBondContact O-CB 3.44Å; S991-Y995 PolarHBondContact O-N 3.44Å; D992-Y995 PolarHBondContact O-N 3.26Å; Y995-R997 VanDerWaalsContact C-N 3.34Å; Y995-R997 PolarHBondContact O-N 3.03Å; Y995-I998 PolarHBondContact O-N 2.95Å; Y995-I998 VanDerWaalsContact O-N 3.07Å; Y995-L999 HydrophobicContact CD1-CD1 3.92Å; Y995-L999 HydrophobicContact CD1-CG 4.32Å; Y995-L999 HydrophobicContact CE1-CD1 3.32Å; Y995-L999 HydrophobicContact CE1-CG 4.04Å; Y995-L999 PolarHBondContact O-N 3.35Å; Y995-A1044 HydrophobicContact CD2-CB 3.76Å; Y995-A1044 HydrophobicContact CE2-CB 3.78Å; Y995-K1048 HydrophobicContact CE2-CB 4.22Å; Y995-K1048 HydrophobicContact CE2-CD 4.35Å
996	E	93.1	Very high	92	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-42.9	175.8	-78.5	-55.6	118.6	0	0	112.9	D992 I998 L999 Q1000	D992-E996 WeakPolarHBondContact O-CG 3.34Å; D992-E996 PolarHBondContact O-N 3.14Å; E996-I998 VanDerWaalsContact C-N 3.29Å; E996-I998 PolarHBondContact O-N 2.96Å; E996-L999 PolarHBondContact O-N 2.8Å; E996-Q1000 WeakPolarHBondContact O-CB 3.45Å; E996-Q1000 WeakPolarHBondContact O-CG 3.4Å; E996-Q1000 PolarHBondContact O-N 3.01Å
997	R	94.6	Very high	91.8	Very high	78 Å²	78	55.7 Å²	55.7	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-65	-31.3	177	-75.3	164.6	59.4	-144.7	-2.5	112.9	P899 E902 C993 V994 Y995 T1001	P899-R997 HydrophobicContact CB-CB 4.25Å; P899-R997 HydrophobicContact CG-CB 3.86Å; E902-R997 IonicContact OE1-CZ 2.8Å; E902-R997 IonicContact OE1-NH1 3.15Å; E902-R997 PolarHBondContact OE1-NH1 3.41Å; E902-R997 IonicContact OE1-NH2 3.65Å; E902-R997 PolarHBondContact OE1-NH2 2.86Å; E902-R997 IonicContact OE2-CZ 2.69Å; E902-R997 IonicContact OE2-NH1 2.9Å; E902-R997 PolarHBondContact OE2-NH1 2.88Å; E902-R997 IonicContact OE2-NH2 3.74Å; C993-R997 WeakPolarHBondContact O-CD 3.49Å; C993-R997 WeakPolarHBondContact O-CG 3.34Å; C993-R997 PolarHBondContact O-N 2.9Å; V994-R997 PolarHBondContact O-N 2.92Å; Y995-R997 VanDerWaalsContact C-N 3.34Å; Y995-R997 PolarHBondContact O-N 3.03Å; R997-T1001 PolarHBondContact O-N 3.42Å; R997-T1001 PolarHBondContact O-OG1 2.84Å
998	I	92.3	Very high	91.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-45.7	173.7	-65.8	166.3	0	0	0	110.4	P899 L900 A903 V994 Y995 E996 Q1000 T1001 Q1002 L1040 A1044	P899-I998 HydrophobicContact CB-CD1 4.35Å; P899-I998 HydrophobicContact CB-CG1 3.61Å; L900-I998 HydrophobicContact CD2-CD1 4.21Å; L900-I998 HydrophobicContact CD2-CG1 4.39Å; A903-I998 HydrophobicContact CB-CD1 4.1Å; V994-I998 HydrophobicContact CG1-CD1 4.19Å; V994-I998 WeakPolarHBondContact O-CG1 3.37Å; V994-I998 PolarHBondContact O-N 2.87Å; V994-I998 VanDerWaalsContact O-N 3.11Å; Y995-I998 PolarHBondContact O-N 2.95Å; Y995-I998 VanDerWaalsContact O-N 3.07Å; E996-I998 VanDerWaalsContact C-N 3.29Å; E996-I998 PolarHBondContact O-N 2.96Å; I998-Q1000 VanDerWaalsContact C-N 3.34Å; I998-Q1000 PolarHBondContact O-N 2.84Å; I998-T1001 PolarHBondContact O-N 3.2Å; I998-Q1002 PolarHBondContact O-N 3Å; I998-L1040 HydrophobicContact CG2-CB 4.09Å; I998-L1040 HydrophobicContact CG2-CD2 4.21Å; I998-L1040 VanDerWaalsContact CG2-O 3.28Å; I998-L1040 WeakPolarHBondContact CG2-O 3.33Å; I998-A1044 HydrophobicContact CB-CB 4.49Å; I998-A1044 HydrophobicContact CG2-CB 4Å
999	L	91.4	Very high	91.3	Very high	55 Å²	55	60.3 Å²	60.3	29%	0.288	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-38.8	176.8	-71	-171.2	0	0	0	112.7	Y995 E996 Q1002 K1003	Y995-L999 HydrophobicContact CD1-CD1 3.92Å; Y995-L999 HydrophobicContact CD1-CG 4.32Å; Y995-L999 HydrophobicContact CE1-CD1 3.32Å; Y995-L999 HydrophobicContact CE1-CG 4.04Å; Y995-L999 PolarHBondContact O-N 3.35Å; E996-L999 PolarHBondContact O-N 2.8Å; L999-Q1002 WeakPolarHBondContact O-CB 3.33Å; L999-Q1002 PolarHBondContact O-N 3.24Å; L999-K1003 WeakPolarHBondContact O-CB 3.38Å; L999-K1003 PolarHBondContact O-N 3.02Å
1000	Q	92.9	Very high	90.8	Very high	115 Å²	115	62.9 Å²	62.9	54%	0.537	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-44.9	175.7	-73.5	165.3	20.5	0	0	111.7	E996 I998 Q1002 K1003 A1004	E996-Q1000 WeakPolarHBondContact O-CB 3.45Å; E996-Q1000 WeakPolarHBondContact O-CG 3.4Å; E996-Q1000 PolarHBondContact O-N 3.01Å; I998-Q1000 VanDerWaalsContact C-N 3.34Å; I998-Q1000 PolarHBondContact O-N 2.84Å; Q1000-Q1002 VanDerWaalsContact C-N 3.34Å; Q1000-Q1002 PolarHBondContact O-N 2.67Å; Q1000-K1003 PolarHBondContact O-N 3.25Å; Q1000-A1004 WeakPolarHBondContact O-CB 3.36Å; Q1000-A1004 PolarHBondContact O-N 3.45Å
1001	T	92.1	Very high	90.5	Very high	10 Å²	10	65.2 Å²	65.2	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-37	173.2	-54.2	0	0	0	0	111.9	V892 T895 A896 R997 I998 A1005 L1040	V892-T1001 HydrophobicContact CG1-CG2 4.1Å; V892-T1001 WeakPolarHBondContact O-CG2 3.18Å; T895-T1001 VanDerWaalsContact OG1-CG2 3.27Å; T895-T1001 WeakPolarHBondContact OG1-CG2 3.36Å; T895-T1001 PolarHBondContact OG1-OG1 2.75Å; A896-T1001 HydrophobicContact CB-CG2 3.76Å; R997-T1001 PolarHBondContact O-N 3.42Å; R997-T1001 PolarHBondContact O-OG1 2.84Å; I998-T1001 PolarHBondContact O-N 3.2Å; T1001-A1005 VanDerWaalsContact O-CB 3.29Å; T1001-A1005 WeakPolarHBondContact O-CB 3.47Å; T1001-A1005 PolarHBondContact O-N 3.1Å; T1001-L1040 HydrophobicContact CG2-CD1 4.27Å
1002	Q	90.8	Very high	90.2	Very high	36 Å²	36	65.3 Å²	65.3	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-46.3	176.7	-174.9	-178.9	-17.7	0	0	111.6	I998 L999 Q1000 A1005 M1006 I1037 L1040	I998-Q1002 PolarHBondContact O-N 3Å; L999-Q1002 WeakPolarHBondContact O-CB 3.33Å; L999-Q1002 PolarHBondContact O-N 3.24Å; Q1000-Q1002 VanDerWaalsContact C-N 3.34Å; Q1000-Q1002 PolarHBondContact O-N 2.67Å; Q1002-A1005 PolarHBondContact O-N 2.85Å; Q1002-M1006 WeakPolarHBondContact O-CB 3.31Å; Q1002-M1006 VanDerWaalsContact O-CG 3.28Å; Q1002-M1006 WeakPolarHBondContact O-CG 3.44Å; Q1002-M1006 PolarHBondContact O-N 2.93Å; Q1002-I1037 HydrophobicContact CG-CD1 4.37Å; Q1002-L1040 HydrophobicContact CB-CB 4.32Å; Q1002-L1040 HydrophobicContact CB-CD1 3.98Å
1003	K	90.6	Very high	89.8	Confident	151 Å²	151	66.6 Å²	66.6	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-50	177	-175.3	170.9	-179.9	174.1	0	111.3	L999 Q1000 A1005 M1006 E1007	L999-K1003 WeakPolarHBondContact O-CB 3.38Å; L999-K1003 PolarHBondContact O-N 3.02Å; Q1000-K1003 PolarHBondContact O-N 3.25Å; K1003-A1005 VanDerWaalsContact C-N 3.25Å; K1003-A1005 PolarHBondContact O-N 3.39Å; K1003-M1006 PolarHBondContact O-N 3.42Å; K1003-E1007 PolarHBondContact O-N 3.37Å; K1003-E1007 VanDerWaalsContact O-N 3.15Å
1004	A	91.8	Very high	89.4	Confident	32 Å²	32	67.7 Å²	67.7	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-30.5	177.1	0	0	0	0	0	113.1	V892 Q1000 F1008	V892-A1004 HydrophobicContact CG1-CB 4.08Å; Q1000-A1004 WeakPolarHBondContact O-CB 3.36Å; Q1000-A1004 PolarHBondContact O-N 3.45Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.47Å; A1004-F1008 VanDerWaalsContact O-CE2 3.3Å; A1004-F1008 WeakPolarHBondContact O-CE2 3.37Å
1005	A	90.2	Very high	89	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-74.4	-38.9	172.8	0	0	0	0	0	112.1	V892 F893 T1001 Q1002 K1003 E1007 F1008 F1033 I1037	V892-A1005 HydrophobicContact CG1-CB 4.07Å; F893-A1005 HydrophobicContact CD1-CB 4.41Å; F893-A1005 HydrophobicContact CE1-CB 3.68Å; F893-A1005 HydrophobicContact CZ-CB 3.81Å; T1001-A1005 VanDerWaalsContact O-CB 3.29Å; T1001-A1005 WeakPolarHBondContact O-CB 3.47Å; T1001-A1005 PolarHBondContact O-N 3.1Å; Q1002-A1005 PolarHBondContact O-N 2.85Å; K1003-A1005 VanDerWaalsContact C-N 3.25Å; K1003-A1005 PolarHBondContact O-N 3.39Å; A1005-E1007 VanDerWaalsContact C-N 3.29Å; A1005-E1007 PolarHBondContact O-N 3.39Å; A1005-F1008 PolarHBondContact O-N 3.18Å; A1005-F1008 VanDerWaalsContact O-N 3.1Å; A1005-F1033 HydrophobicContact CB-CE2 4.48Å; A1005-F1033 VanDerWaalsContact O-CE2 3.31Å; A1005-F1033 WeakPolarHBondContact O-CE2 3.17Å; A1005-F1033 VanDerWaalsContact O-CZ 3.29Å; A1005-F1033 WeakPolarHBondContact O-CZ 3.32Å; A1005-I1037 HydrophobicContact CB-CD1 3.77Å
1006	M	89	Confident	88.7	Confident	66 Å²	66	67 Å²	67	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-27.9	178.8	-75.8	-64.9	-61.6	0	0	113.5	V710 Q1002 K1003 F1008 H1009 F1033 I1037	V710-M1006 HydrophobicContact CB-SD 4.41Å; V710-M1006 HydrophobicContact CG1-SD 4.21Å; V710-M1006 HydrophobicContact CG2-CE 3.99Å; V710-M1006 HydrophobicContact CG2-SD 4.31Å; Q1002-M1006 WeakPolarHBondContact O-CB 3.31Å; Q1002-M1006 VanDerWaalsContact O-CG 3.28Å; Q1002-M1006 WeakPolarHBondContact O-CG 3.44Å; Q1002-M1006 PolarHBondContact O-N 2.93Å; K1003-M1006 PolarHBondContact O-N 3.42Å; M1006-F1008 PolarHBondContact O-N 2.83Å; M1006-F1008 VanDerWaalsContact O-N 3.15Å; M1006-H1009 HydrophobicContact CE-CB 4.31Å; M1006-H1009 WeakPolarHBondContact O-CB 3.17Å; M1006-H1009 PolarHBondContact O-N 2.79Å; M1006-H1009 HydrophobicContact SD-CB 4.45Å; M1006-F1033 HydrophobicContact SD-CE1 4.32Å; M1006-F1033 HydrophobicContact SD-CZ 4.44Å; M1006-I1037 HydrophobicContact CG-CD1 4.13Å; M1006-I1037 HydrophobicContact SD-CD1 4.06Å; M1006-I1037 HydrophobicContact SD-CG1 4.25Å; M1006-I1037 HydrophobicContact SD-CG2 4.29Å
1007	E	90.2	Very high	88.4	Confident	135 Å²	135	65.6 Å²	65.6	63%	0.631	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.9	171.1	-71.2	168.2	-155.7	0	0	113.1	K1003 A1005	K1003-E1007 PolarHBondContact O-N 3.37Å; K1003-E1007 VanDerWaalsContact O-N 3.15Å; A1005-E1007 VanDerWaalsContact C-N 3.29Å; A1005-E1007 PolarHBondContact O-N 3.39Å
1008	F	86.6	Confident	88.1	Confident	54 Å²	54	69.9 Å²	69.9	24%	0.237	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-10	175.3	-63.4	-88.7	0	0	0	113.8	A888 V889 V892 A1004 A1005 M1006 E1010 N1011 L1012 L1015	A888-F1008 HydrophobicContact CB-CE1 4.18Å; V889-F1008 HydrophobicContact CG2-CB 3.91Å; V889-F1008 HydrophobicContact CG2-CD1 3.88Å; V889-F1008 HydrophobicContact CG2-CD2 4.45Å; V889-F1008 HydrophobicContact CG2-CG 3.81Å; V892-F1008 HydrophobicContact CG2-CE2 3.92Å; V892-F1008 HydrophobicContact CG2-CZ 4.49Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.47Å; A1004-F1008 VanDerWaalsContact O-CE2 3.3Å; A1004-F1008 WeakPolarHBondContact O-CE2 3.37Å; A1005-F1008 PolarHBondContact O-N 3.18Å; A1005-F1008 VanDerWaalsContact O-N 3.1Å; M1006-F1008 PolarHBondContact O-N 2.83Å; M1006-F1008 VanDerWaalsContact O-N 3.15Å; F1008-E1010 PolarHBondContact O-N 3.42Å; F1008-N1011 CarbonylContact O-C 3.58Å; F1008-N1011 PolarHBondContact O-N 2.58Å; F1008-L1012 WeakPolarHBondContact O-CA 3.16Å; F1008-L1012 WeakPolarHBondContact O-CB 3.24Å; F1008-L1012 PolarHBondContact O-N 2.97Å; F1008-L1015 HydrophobicContact CB-CD1 4.45Å; F1008-L1015 HydrophobicContact CD1-CD1 3.77Å
1009	H	86	Confident	87.8	Confident	59 Å²	59	74.3 Å²	74.3	27%	0.273	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-48.8	-169.9	176.9	-113.9	0	0	0	113	M1006 N1011 L1012 F1033	M1006-H1009 HydrophobicContact CE-CB 4.31Å; M1006-H1009 WeakPolarHBondContact O-CB 3.17Å; M1006-H1009 PolarHBondContact O-N 2.79Å; M1006-H1009 HydrophobicContact SD-CB 4.45Å; H1009-N1011 VanDerWaalsContact C-N 3.3Å; H1009-N1011 PolarHBondContact O-N 2.92Å; H1009-L1012 WeakPolarHBondContact O-CB 3Å; H1009-L1012 PolarHBondContact O-N 2.91Å; H1009-F1033 HydrophobicContact CB-CE1 4.03Å; H1009-F1033 HydrophobicContact CB-CZ 3.94Å; H1009-F1033 AromaticContact CD2-CE1 3.65Å
1010	E	81.9	Confident	87.5	Confident	174 Å²	174	74 Å²	74	81%	0.813	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-38.1	-177.4	-58.6	-173.3	152.7	0	0	112.3	F1008	F1008-E1010 PolarHBondContact O-N 3.42Å
1011	N	85	Confident	87.2	Confident	92 Å²	92	69 Å²	69	49%	0.492	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4	-177.9	-67.4	-81.5	0	0	0	113	F1008 H1009 H1013 D1014 L1015	F1008-N1011 CarbonylContact O-C 3.58Å; F1008-N1011 PolarHBondContact O-N 2.58Å; H1009-N1011 VanDerWaalsContact C-N 3.3Å; H1009-N1011 PolarHBondContact O-N 2.92Å; N1011-H1013 VanDerWaalsContact C-N 3.32Å; N1011-H1013 PolarHBondContact O-N 3.03Å; N1011-D1014 PolarHBondContact O-N 3.39Å; N1011-D1014 VanDerWaalsContact O-N 3.17Å; N1011-L1015 HydrophobicContact CB-CD1 4.19Å; N1011-L1015 HydrophobicContact CB-CG 4.43Å; N1011-L1015 WeakPolarHBondContact O-CB 3.45Å; N1011-L1015 VanDerWaalsContact O-CG 3.31Å; N1011-L1015 WeakPolarHBondContact O-CG 3.38Å; N1011-L1015 PolarHBondContact O-N 2.69Å
1012	L	85	Confident	86.8	Confident	4 Å²	4	76 Å²	76	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-59.4	-41.6	-169.9	-177.8	66.4	0	0	0	112.5	L884 I886 F1008 H1009 A1016 V1030 F1033	L884-L1012 HydrophobicContact CD2-CD1 4.35Å; I886-L1012 HydrophobicContact CD1-CD1 3.76Å; F1008-L1012 WeakPolarHBondContact O-CA 3.16Å; F1008-L1012 WeakPolarHBondContact O-CB 3.24Å; F1008-L1012 PolarHBondContact O-N 2.97Å; H1009-L1012 WeakPolarHBondContact O-CB 3Å; H1009-L1012 PolarHBondContact O-N 2.91Å; L1012-A1016 VanDerWaalsContact O-CB 3.25Å; L1012-A1016 WeakPolarHBondContact O-CB 3.38Å; L1012-A1016 PolarHBondContact O-N 2.96Å; L1012-V1030 HydrophobicContact CD2-CG1 4.44Å; L1012-V1030 HydrophobicContact CD2-CG2 4.18Å; L1012-F1033 HydrophobicContact CD1-CB 4.48Å; L1012-F1033 HydrophobicContact CD1-CD2 3.89Å; L1012-F1033 HydrophobicContact CD1-CE2 4.44Å; L1012-F1033 HydrophobicContact CD1-CG 4.3Å; L1012-F1033 HydrophobicContact CD2-CB 3.57Å; L1012-F1033 HydrophobicContact CD2-CD1 3.82Å; L1012-F1033 HydrophobicContact CD2-CD2 3.89Å; L1012-F1033 HydrophobicContact CD2-CE1 4.49Å; L1012-F1033 HydrophobicContact CD2-CG 3.49Å; L1012-F1033 VanDerWaalsContact CD2-CG 3.49Å
1013	H	83.8	Confident	86.3	Confident	104 Å²	104	77 Å²	77	48%	0.481	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-46.9	178.5	178.2	-87	0	0	0	111.5	N1011 A1016 V1017	N1011-H1013 VanDerWaalsContact C-N 3.32Å; N1011-H1013 PolarHBondContact O-N 3.03Å; H1013-A1016 WeakPolarHBondContact O-CB 3.34Å; H1013-A1016 PolarHBondContact O-N 3.1Å; H1013-V1017 WeakPolarHBondContact O-CG2 3.09Å; H1013-V1017 PolarHBondContact O-N 2.86Å
1014	D	84.4	Confident	85.7	Confident	105 Å²	105	81 Å²	81	56%	0.561	41%	0.41	S	S	*	.	H	α-helix	trans	-78.4	-32.4	-174.9	-70	-1	0	0	0	111.9	N1011 V1017 K1018	N1011-D1014 PolarHBondContact O-N 3.39Å; N1011-D1014 VanDerWaalsContact O-N 3.17Å; D1014-V1017 PolarHBondContact O-N 2.86Å; D1014-K1018 WeakPolarHBondContact O-CB 3.35Å; D1014-K1018 PolarHBondContact O-N 3.13Å
1015	L	86.3	Confident	85.2	Confident	47 Å²	47	86.1 Å²	86.1	25%	0.246	43%	0.426	C	S	.	.	H	α-helix	trans	-61.5	-43.3	168	-70.8	168.8	0	0	0	111.8	I886 F1008 N1011 K1018 E1019	I886-L1015 HydrophobicContact CG2-CB 4.23Å; F1008-L1015 HydrophobicContact CB-CD1 4.45Å; F1008-L1015 HydrophobicContact CD1-CD1 3.77Å; N1011-L1015 HydrophobicContact CB-CD1 4.19Å; N1011-L1015 HydrophobicContact CB-CG 4.43Å; N1011-L1015 WeakPolarHBondContact O-CB 3.45Å; N1011-L1015 VanDerWaalsContact O-CG 3.31Å; N1011-L1015 WeakPolarHBondContact O-CG 3.38Å; N1011-L1015 PolarHBondContact O-N 2.69Å; L1015-K1018 PolarHBondContact O-N 3.42Å; L1015-E1019 PolarHBondContact O-N 3.17Å
1016	A	85.3	Confident	84.7	Confident	0 Å²	0	87.2 Å²	87.2	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-65.2	-43	176.1	0	0	0	0	0	112.2	I886 L1012 H1013 K1018 E1019 G1020 L1021 L1026	I886-A1016 HydrophobicContact CD1-CB 3.66Å; I886-A1016 HydrophobicContact CG1-CB 4.29Å; L1012-A1016 VanDerWaalsContact O-CB 3.25Å; L1012-A1016 WeakPolarHBondContact O-CB 3.38Å; L1012-A1016 PolarHBondContact O-N 2.96Å; H1013-A1016 WeakPolarHBondContact O-CB 3.34Å; H1013-A1016 PolarHBondContact O-N 3.1Å; A1016-K1018 VanDerWaalsContact C-N 3.31Å; A1016-K1018 PolarHBondContact O-N 2.64Å; A1016-E1019 PolarHBondContact O-N 3.21Å; A1016-G1020 PolarHBondContact O-N 3.21Å; A1016-L1021 HydrophobicContact CB-CB 4.36Å; A1016-L1021 HydrophobicContact CB-CD1 4.08Å; A1016-L1021 VanDerWaalsContact O-CB 3.28Å; A1016-L1021 WeakPolarHBondContact O-CB 3.44Å; A1016-L1021 WeakPolarHBondContact O-CG 3.2Å; A1016-L1021 PolarHBondContact O-N 2.76Å; A1016-L1026 HydrophobicContact CB-CD1 3.27Å
1017	V	86.5	Confident	84.2	Confident	60 Å²	60	88.4 Å²	88.4	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-63.5	-36.7	174.1	170	0	0	0	0	111.5	H1013 D1014 G1020 L1026	H1013-V1017 WeakPolarHBondContact O-CG2 3.09Å; H1013-V1017 PolarHBondContact O-N 2.86Å; D1014-V1017 PolarHBondContact O-N 2.86Å; V1017-G1020 WeakPolarHBondContact O-CA 3.5Å; V1017-G1020 PolarHBondContact O-N 2.94Å; V1017-L1026 HydrophobicContact CG2-CD1 4.22Å; V1017-L1026 HydrophobicContact CG2-CD2 3.73Å
1018	K	87.6	Confident	83.8	Confident	169 Å²	169	88.3 Å²	88.3	74%	0.735	43%	0.434	S	S	*	.	H	α-helix	trans	-67.9	-37.3	177.1	-177.9	178.2	178.8	-178.3	0	113.5	D1014 L1015 A1016 G1020	D1014-K1018 WeakPolarHBondContact O-CB 3.35Å; D1014-K1018 PolarHBondContact O-N 3.13Å; L1015-K1018 PolarHBondContact O-N 3.42Å; A1016-K1018 VanDerWaalsContact C-N 3.31Å; A1016-K1018 PolarHBondContact O-N 2.64Å; K1018-G1020 PolarHBondContact O-N 2.94Å
1019	E	86.2	Confident	83.8	Confident	92 Å²	92	85.9 Å²	85.9	43%	0.43	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	2.9	167.9	-67.2	-72.4	124.1	0	0	112.6	I886 K887 L1015 A1016	I886-E1019 HydrophobicContact CG2-CG 4.44Å; K887-E1019 IonicContact NZ-OE2 3.44Å; L1015-E1019 PolarHBondContact O-N 3.17Å; A1016-E1019 PolarHBondContact O-N 3.21Å
1020	G	85	Confident	83.6	Confident	50 Å²	50	85.6 Å²	85.6	52%	0.515	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	9.5	171.2	0	0	0	0	0	115.7	A1016 V1017 K1018	A1016-G1020 PolarHBondContact O-N 3.21Å; V1017-G1020 WeakPolarHBondContact O-CA 3.5Å; V1017-G1020 PolarHBondContact O-N 2.94Å; K1018-G1020 PolarHBondContact O-N 2.94Å
1021	L	86.6	Confident	83.6	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.052	40%	0.399	C	S	.	.			trans	-74.9	132.3	178.3	-52.5	-179.9	0	0	0	110.7	Q885 I886 A1016 K1025 L1026 A1029	Q885-L1021 HydrophobicContact CB-CD1 4.27Å; Q885-L1021 HydrophobicContact CB-CD2 4.24Å; I886-L1021 HydrophobicContact CG1-CD1 4.09Å; A1016-L1021 HydrophobicContact CB-CB 4.36Å; A1016-L1021 HydrophobicContact CB-CD1 4.08Å; A1016-L1021 VanDerWaalsContact O-CB 3.28Å; A1016-L1021 WeakPolarHBondContact O-CB 3.44Å; A1016-L1021 WeakPolarHBondContact O-CG 3.2Å; A1016-L1021 PolarHBondContact O-N 2.76Å; L1021-K1025 HydrophobicContact CB-CB 4.49Å; L1021-K1025 HydrophobicContact CD2-CB 4.41Å; L1021-L1026 HydrophobicContact CB-CB 4.38Å; L1021-A1029 HydrophobicContact CD1-CB 3.8Å
1022	K	83.7	Confident	83.7	Confident	155 Å²	155	75.8 Å²	75.8	67%	0.674	38%	0.377	S	S	*	.			trans	-142	151.2	-177.7	-63	-173.3	-179.8	-176.2	0	111.5	R1024 K1025	K1022-R1024 PolarHBondContact O-N 2.95Å; K1022-K1025 PolarHBondContact O-N 2.69Å
1023	G	81.8	Confident	83.9	Confident	58 Å²	58	75.6 Å²	75.6	60%	0.598	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-132	177.8	0	0	0	0	0	112.7	K1025 L1026 H1027	G1023-K1025 PolarHBondContact O-N 3.01Å; G1023-K1025 VanDerWaalsContact O-N 3.07Å; G1023-L1026 WeakPolarHBondContact O-CB 3.48Å; G1023-L1026 PolarHBondContact O-N 3.42Å; G1023-H1027 PolarHBondContact O-N 2.94Å
1024	R	76.8	Confident	84	Confident	235 Å²	235	71.5 Å²	71.5	89%	0.887	36%	0.359	S	S	*	.	H	α-helix	trans	-54.8	-28.6	-179.4	-66.3	-175.7	-179.3	175.7	-0.7	114.4	K1022 K1028	K1022-R1024 PolarHBondContact O-N 2.95Å; R1024-K1028 VanDerWaalsContact O-CB 3.32Å; R1024-K1028 WeakPolarHBondContact O-CB 3.48Å; R1024-K1028 PolarHBondContact O-N 3.46Å; R1024-K1028 VanDerWaalsContact O-N 3.11Å
1025	K	80.6	Confident	84.1	Confident	140 Å²	140	68.5 Å²	68.5	61%	0.609	34%	0.34	S	S	*	.	H	α-helix	trans	-70.1	-38.4	176	-69.5	-171.2	176.6	-174	0	112.6	L1021 K1022 G1023 A1029	L1021-K1025 HydrophobicContact CB-CB 4.49Å; L1021-K1025 HydrophobicContact CD2-CB 4.41Å; K1022-K1025 PolarHBondContact O-N 2.69Å; G1023-K1025 PolarHBondContact O-N 3.01Å; G1023-K1025 VanDerWaalsContact O-N 3.07Å; K1025-A1029 PolarHBondContact O-N 2.86Å; K1025-A1029 VanDerWaalsContact O-N 3.09Å
1026	L	81.6	Confident	84.2	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-49.2	179	173.9	58.6	0	0	0	110.6	A1016 V1017 L1021 G1023 K1028 A1029 V1030	A1016-L1026 HydrophobicContact CB-CD1 3.27Å; V1017-L1026 HydrophobicContact CG2-CD1 4.22Å; V1017-L1026 HydrophobicContact CG2-CD2 3.73Å; L1021-L1026 HydrophobicContact CB-CB 4.38Å; G1023-L1026 WeakPolarHBondContact O-CB 3.48Å; G1023-L1026 PolarHBondContact O-N 3.42Å; L1026-K1028 VanDerWaalsContact C-N 3.35Å; L1026-K1028 PolarHBondContact O-N 2.9Å; L1026-A1029 WeakPolarHBondContact O-CB 3.02Å; L1026-A1029 PolarHBondContact O-N 3.07Å; L1026-A1029 VanDerWaalsContact O-N 3.14Å; L1026-V1030 PolarHBondContact O-N 2.92Å
1027	H	77.6	Confident	84.4	Confident	91 Å²	91	66.5 Å²	66.5	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-56.8	-46.8	174.2	-179.3	97	0	0	0	111.5	D636 G1023 A1029 V1030 E1031	D636-H1027 IonicContact OD1-CE1 2.69Å; D636-H1027 PolarHBondContact OD1-CE1 3.3Å; G1023-H1027 PolarHBondContact O-N 2.94Å; H1027-A1029 VanDerWaalsContact C-N 3.27Å; H1027-A1029 PolarHBondContact O-N 2.59Å; H1027-V1030 WeakPolarHBondContact O-CA 3.36Å; H1027-V1030 WeakPolarHBondContact O-CB 3.36Å; H1027-V1030 PolarHBondContact O-N 2.76Å; H1027-E1031 IonicContact CD2-OE2 3.94Å; H1027-E1031 PolarHBondContact O-N 2.74Å
1028	K	82.8	Confident	84.4	Confident	134 Å²	134	64.2 Å²	64.2	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-27.4	177.8	-175.7	164.9	-178.1	166.8	0	114.4	R1024 L1026 E1031 S1032	R1024-K1028 VanDerWaalsContact O-CB 3.32Å; R1024-K1028 WeakPolarHBondContact O-CB 3.48Å; R1024-K1028 PolarHBondContact O-N 3.46Å; R1024-K1028 VanDerWaalsContact O-N 3.11Å; L1026-K1028 VanDerWaalsContact C-N 3.35Å; L1026-K1028 PolarHBondContact O-N 2.9Å; K1028-E1031 WeakPolarHBondContact CA-OE2 3.37Å; K1028-S1032 VanDerWaalsContact O-CB 3.27Å; K1028-S1032 WeakPolarHBondContact O-CB 3.37Å; K1028-S1032 PolarHBondContact O-N 3.21Å; K1028-S1032 PolarHBondContact O-OG 3.22Å
1029	A	85.3	Confident	84.4	Confident	3 Å²	3	56.7 Å²	56.7	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-40.3	172.1	0	0	0	0	0	111.3	L884 I886 L1021 K1025 L1026 H1027 S1032 F1033	L884-A1029 WeakPolarHBondContact O-CB 3.41Å; I886-A1029 HydrophobicContact CD1-CB 4.35Å; L1021-A1029 HydrophobicContact CD1-CB 3.8Å; K1025-A1029 PolarHBondContact O-N 2.86Å; K1025-A1029 VanDerWaalsContact O-N 3.09Å; L1026-A1029 WeakPolarHBondContact O-CB 3.02Å; L1026-A1029 PolarHBondContact O-N 3.07Å; L1026-A1029 VanDerWaalsContact O-N 3.14Å; H1027-A1029 VanDerWaalsContact C-N 3.27Å; H1027-A1029 PolarHBondContact O-N 2.59Å; A1029-S1032 PolarHBondContact O-N 3.18Å; A1029-F1033 PolarHBondContact O-N 3.2Å
1030	V	82.9	Confident	84.5	Confident	53 Å²	53	52.3 Å²	52.3	32%	0.321	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-47.1	173.1	-179.1	0	0	0	0	111	L1012 L1026 H1027 S1032 F1033 T1034	L1012-V1030 HydrophobicContact CD2-CG1 4.44Å; L1012-V1030 HydrophobicContact CD2-CG2 4.18Å; L1026-V1030 PolarHBondContact O-N 2.92Å; H1027-V1030 WeakPolarHBondContact O-CA 3.36Å; H1027-V1030 WeakPolarHBondContact O-CB 3.36Å; H1027-V1030 PolarHBondContact O-N 2.76Å; V1030-S1032 PolarHBondContact O-N 2.72Å; V1030-F1033 WeakPolarHBondContact O-CB 3.46Å; V1030-F1033 PolarHBondContact O-N 3.37Å; V1030-T1034 PolarHBondContact O-N 3.49Å; V1030-T1034 PolarHBondContact O-OG1 3.5Å
1031	E	81.8	Confident	84.5	Confident	54 Å²	54	52.9 Å²	52.9	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-53.9	-38.3	171.9	-68.3	-176.8	87.7	0	0	112.5	Y712 H1027 K1028 W1035	Y712-E1031 HydrophobicContact CD2-CB 4.47Å; Y712-E1031 HydrophobicContact CE2-CB 4.19Å; Y712-E1031 HydrophobicContact CE2-CG 4.32Å; H1027-E1031 IonicContact CD2-OE2 3.94Å; H1027-E1031 PolarHBondContact O-N 2.74Å; K1028-E1031 WeakPolarHBondContact CA-OE2 3.37Å; E1031-W1035 WeakPolarHBondContact O-CB 3.37Å; E1031-W1035 PolarHBondContact O-N 3.26Å
1032	S	87.3	Confident	84.4	Confident	5 Å²	5	52.6 Å²	52.6	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-75.1	-35.1	-178	-61.8	0	0	0	0	112.6	K1028 A1029 V1030 N1036	K1028-S1032 VanDerWaalsContact O-CB 3.27Å; K1028-S1032 WeakPolarHBondContact O-CB 3.37Å; K1028-S1032 PolarHBondContact O-N 3.21Å; K1028-S1032 PolarHBondContact O-OG 3.22Å; A1029-S1032 PolarHBondContact O-N 3.18Å; V1030-S1032 PolarHBondContact O-N 2.72Å; S1032-N1036 PolarHBondContact O-N 3.44Å; S1032-N1036 VanDerWaalsContact O-N 3.1Å; S1032-N1036 PolarHBondContact O-OD1 2.75Å
1033	F	89.1	Confident	84.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-54.1	167.8	-177.7	-90.8	0	0	0	110.6	V710 L884 V889 F893 A1005 M1006 H1009 L1012 A1029 V1030 W1035 N1036 I1037	V710-F1033 HydrophobicContact CG1-CD1 4.24Å; V710-F1033 HydrophobicContact CG1-CE1 4Å; L884-F1033 HydrophobicContact CD2-CB 3.75Å; L884-F1033 HydrophobicContact CD2-CD2 3.88Å; L884-F1033 HydrophobicContact CD2-CG 4.33Å; L884-F1033 HydrophobicContact CG-CB 4.44Å; V889-F1033 HydrophobicContact CG1-CD2 3.94Å; V889-F1033 HydrophobicContact CG1-CE2 4.04Å; F893-F1033 AromaticContact CE2-CD2 3.91Å; F893-F1033 HydrophobicContact CE2-CD2 3.91Å; F893-F1033 HydrophobicContact CE2-CE2 4.35Å; F893-F1033 AromaticContact CZ-CD2 3.94Å; F893-F1033 HydrophobicContact CZ-CD2 3.94Å; F893-F1033 HydrophobicContact CZ-CE2 4.1Å; A1005-F1033 HydrophobicContact CB-CE2 4.48Å; A1005-F1033 VanDerWaalsContact O-CE2 3.31Å; A1005-F1033 WeakPolarHBondContact O-CE2 3.17Å; A1005-F1033 VanDerWaalsContact O-CZ 3.29Å; A1005-F1033 WeakPolarHBondContact O-CZ 3.32Å; M1006-F1033 HydrophobicContact SD-CE1 4.32Å; M1006-F1033 HydrophobicContact SD-CZ 4.44Å; H1009-F1033 HydrophobicContact CB-CE1 4.03Å; H1009-F1033 HydrophobicContact CB-CZ 3.94Å; H1009-F1033 AromaticContact CD2-CE1 3.65Å; L1012-F1033 HydrophobicContact CD1-CB 4.48Å; L1012-F1033 HydrophobicContact CD1-CD2 3.89Å; L1012-F1033 HydrophobicContact CD1-CE2 4.44Å; L1012-F1033 HydrophobicContact CD1-CG 4.3Å; L1012-F1033 HydrophobicContact CD2-CB 3.57Å; L1012-F1033 HydrophobicContact CD2-CD1 3.82Å; L1012-F1033 HydrophobicContact CD2-CD2 3.89Å; L1012-F1033 HydrophobicContact CD2-CE1 4.49Å; L1012-F1033 HydrophobicContact CD2-CG 3.49Å; L1012-F1033 VanDerWaalsContact CD2-CG 3.49Å; A1029-F1033 PolarHBondContact O-N 3.2Å; V1030-F1033 WeakPolarHBondContact O-CB 3.46Å; V1030-F1033 PolarHBondContact O-N 3.37Å; F1033-W1035 VanDerWaalsContact C-N 3.33Å; F1033-W1035 PolarHBondContact O-N 2.92Å; F1033-N1036 PolarHBondContact O-N 3.27Å; F1033-I1037 HydrophobicContact CD1-CG1 4Å; F1033-I1037 HydrophobicContact CE1-CD1 4.23Å; F1033-I1037 HydrophobicContact CE1-CG1 3.63Å; F1033-I1037 HydrophobicContact CZ-CD1 4.08Å; F1033-I1037 HydrophobicContact CZ-CG1 3.98Å; F1033-I1037 PolarHBondContact O-N 3.41Å
1034	T	85.1	Confident	84.8	Confident	18 Å²	18	43.6 Å²	43.6	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-39.9	-177	-50	0	0	0	0	111.7	V710 S711 V1030 N1036 I1037 T1038	V710-T1034 HydrophobicContact CG1-CG2 4.09Å; S711-T1034 WeakPolarHBondContact O-CG2 3.4Å; V1030-T1034 PolarHBondContact O-N 3.49Å; V1030-T1034 PolarHBondContact O-OG1 3.5Å; T1034-N1036 PolarHBondContact O-N 2.66Å; T1034-I1037 PolarHBondContact O-N 3.49Å; T1034-T1038 WeakPolarHBondContact O-CB 3.46Å; T1034-T1038 PolarHBondContact O-N 2.82Å; T1034-T1038 PolarHBondContact O-OG1 3.23Å
1035	W	85.8	Confident	85.1	Confident	42 Å²	42	35.6 Å²	35.6	16%	0.159	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-48.3	170.4	173.9	-88.7	0	0	0	112.1	Y712 P722 S880 R882 E1031 F1033 T1038 I1039	Y712-W1035 AromaticContact CD1-CE3 3.6Å; Y712-W1035 HydrophobicContact CD1-CE3 3.6Å; Y712-W1035 HydrophobicContact CD1-CZ3 4.1Å; Y712-W1035 AromaticContact CE1-CE3 3.94Å; Y712-W1035 HydrophobicContact CE1-CE3 3.94Å; Y712-W1035 HydrophobicContact CE1-CZ3 4.21Å; Y712-W1035 HydrophobicContact CG-CE3 4.27Å; P722-W1035 HydrophobicContact CG-CE3 4.35Å; P722-W1035 HydrophobicContact CG-CH2 3.86Å; P722-W1035 HydrophobicContact CG-CZ2 4.42Å; P722-W1035 HydrophobicContact CG-CZ3 3.82Å; S880-W1035 PolarHBondContact O-NE1 2.9Å; R882-W1035 HydrophobicContact CG-CG 4.07Å; R882-W1035 VanDerWaalsContact NE-CG 3.29Å; E1031-W1035 WeakPolarHBondContact O-CB 3.37Å; E1031-W1035 PolarHBondContact O-N 3.26Å; F1033-W1035 VanDerWaalsContact C-N 3.33Å; F1033-W1035 PolarHBondContact O-N 2.92Å; W1035-T1038 PolarHBondContact O-N 3.04Å; W1035-I1039 HydrophobicContact CD2-CG1 4.44Å; W1035-I1039 HydrophobicContact CZ2-CD1 4.17Å; W1035-I1039 HydrophobicContact CZ2-CG1 4.45Å; W1035-I1039 VanDerWaalsContact O-CG1 3.32Å; W1035-I1039 WeakPolarHBondContact O-CG1 3.28Å; W1035-I1039 PolarHBondContact O-N 2.98Å
1036	N	89.8	Confident	85.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-43	-179.1	-68.9	-6.1	0	0	0	111.9	M881 R882 L884 F893 S1032 F1033 T1034 T1038 I1039 L1040	M881-N1036 VanDerWaalsContact CA-OD1 3.24Å; M881-N1036 WeakPolarHBondContact CA-OD1 3.18Å; M881-N1036 WeakPolarHBondContact CB-OD1 3.21Å; M881-N1036 HydrophobicContact CG-CB 4.32Å; R882-N1036 PolarHBondContact N-OD1 2.94Å; R882-N1036 PolarHBondContact O-ND2 2.98Å; L884-N1036 WeakPolarHBondContact CD1-ND2 2.96Å; F893-N1036 HydrophobicContact CD1-CB 3.74Å; F893-N1036 HydrophobicContact CD2-CB 4.19Å; F893-N1036 VanDerWaalsContact CD2-ND2 3.26Å; F893-N1036 WeakPolarHBondContact CD2-ND2 3.15Å; F893-N1036 HydrophobicContact CE1-CB 3.4Å; F893-N1036 VanDerWaalsContact CE1-CB 3.4Å; F893-N1036 HydrophobicContact CE2-CB 3.86Å; F893-N1036 HydrophobicContact CG-CB 4.14Å; F893-N1036 HydrophobicContact CZ-CB 3.47Å; F893-N1036 VanDerWaalsContact CZ-CB 3.47Å; S1032-N1036 PolarHBondContact O-N 3.44Å; S1032-N1036 VanDerWaalsContact O-N 3.1Å; S1032-N1036 PolarHBondContact O-OD1 2.75Å; F1033-N1036 PolarHBondContact O-N 3.27Å; T1034-N1036 PolarHBondContact O-N 2.66Å; N1036-T1038 VanDerWaalsContact C-N 3.34Å; N1036-T1038 PolarHBondContact O-N 3.3Å; N1036-I1039 PolarHBondContact O-N 3.37Å; N1036-L1040 WeakPolarHBondContact O-CG 3.48Å; N1036-L1040 PolarHBondContact O-N 3.28Å
1037	I	89.4	Confident	85.5	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-43.6	174.5	-63.5	-63.5	0	0	0	111.1	V710 F893 Q1002 A1005 M1006 F1033 T1034 I1039 L1040 K1041	V710-I1037 HydrophobicContact CB-CG2 4.39Å; V710-I1037 HydrophobicContact CG1-CB 4.02Å; V710-I1037 HydrophobicContact CG1-CG1 4.07Å; V710-I1037 HydrophobicContact CG1-CG2 3.91Å; F893-I1037 HydrophobicContact CE1-CD1 4.09Å; F893-I1037 HydrophobicContact CZ-CD1 4.11Å; F893-I1037 HydrophobicContact CZ-CG1 4.35Å; Q1002-I1037 HydrophobicContact CG-CD1 4.37Å; A1005-I1037 HydrophobicContact CB-CD1 3.77Å; M1006-I1037 HydrophobicContact CG-CD1 4.13Å; M1006-I1037 HydrophobicContact SD-CD1 4.06Å; M1006-I1037 HydrophobicContact SD-CG1 4.25Å; M1006-I1037 HydrophobicContact SD-CG2 4.29Å; F1033-I1037 HydrophobicContact CD1-CG1 4Å; F1033-I1037 HydrophobicContact CE1-CD1 4.23Å; F1033-I1037 HydrophobicContact CE1-CG1 3.63Å; F1033-I1037 HydrophobicContact CZ-CD1 4.08Å; F1033-I1037 HydrophobicContact CZ-CG1 3.98Å; F1033-I1037 PolarHBondContact O-N 3.41Å; T1034-I1037 PolarHBondContact O-N 3.49Å; I1037-I1039 VanDerWaalsContact C-N 3.32Å; I1037-I1039 PolarHBondContact O-N 3.37Å; I1037-L1040 PolarHBondContact O-N 2.79Å; I1037-K1041 PolarHBondContact O-N 3.18Å
1038	T	85.9	Confident	85.9	Confident	12 Å²	12	30.9 Å²	30.9	7%	0.074	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-39.9	176.8	-45.1	0	0	0	0	111.5	I705 S711 Y712 P722 T1034 W1035 N1036 G1042	I705-T1038 HydrophobicContact CD1-CG2 4.02Å; I705-T1038 HydrophobicContact CG1-CG2 4.28Å; S711-T1038 WeakPolarHBondContact CA-OG1 3.32Å; Y712-T1038 PolarHBondContact N-OG1 2.9Å; P722-T1038 HydrophobicContact CB-CG2 3.93Å; T1034-T1038 WeakPolarHBondContact O-CB 3.46Å; T1034-T1038 PolarHBondContact O-N 2.82Å; T1034-T1038 PolarHBondContact O-OG1 3.23Å; W1035-T1038 PolarHBondContact O-N 3.04Å; N1036-T1038 VanDerWaalsContact C-N 3.34Å; N1036-T1038 PolarHBondContact O-N 3.3Å; T1038-G1042 PolarHBondContact O-N 3.44Å
1039	I	87.3	Confident	85.9	Confident	11 Å²	11	29.5 Å²	29.5	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-44.1	174.9	-71.6	-76.6	0	0	0	111.5	P722 A879 M881 L900 W1035 N1036 I1037 Q1043	P722-I1039 HydrophobicContact CB-CD1 3.88Å; P722-I1039 HydrophobicContact CB-CG1 4.4Å; P722-I1039 HydrophobicContact CG-CD1 4.02Å; A879-I1039 HydrophobicContact CB-CD1 4.39Å; A879-I1039 HydrophobicContact CB-CG2 3.95Å; M881-I1039 HydrophobicContact CG-CG2 4.43Å; L900-I1039 HydrophobicContact CD1-CG2 4.29Å; W1035-I1039 HydrophobicContact CD2-CG1 4.44Å; W1035-I1039 HydrophobicContact CZ2-CD1 4.17Å; W1035-I1039 HydrophobicContact CZ2-CG1 4.45Å; W1035-I1039 VanDerWaalsContact O-CG1 3.32Å; W1035-I1039 WeakPolarHBondContact O-CG1 3.28Å; W1035-I1039 PolarHBondContact O-N 2.98Å; N1036-I1039 PolarHBondContact O-N 3.37Å; I1037-I1039 VanDerWaalsContact C-N 3.32Å; I1037-I1039 PolarHBondContact O-N 3.37Å; I1039-Q1043 HydrophobicContact CG2-CG 4.44Å; I1039-Q1043 VanDerWaalsContact O-CB 3.28Å; I1039-Q1043 WeakPolarHBondContact O-CB 3.49Å; I1039-Q1043 WeakPolarHBondContact O-CG 3.48Å; I1039-Q1043 PolarHBondContact O-N 3.11Å
1040	L	88.9	Confident	85.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-58.8	178.3	-68.9	176.1	0	0	0	110.9	M881 F893 A896 L900 I998 T1001 Q1002 N1036 I1037 G1042 Q1043 A1044	M881-L1040 HydrophobicContact SD-CD2 4.46Å; F893-L1040 HydrophobicContact CD1-CD1 4.1Å; F893-L1040 HydrophobicContact CE1-CD1 3.85Å; A896-L1040 HydrophobicContact CB-CD2 3.36Å; L900-L1040 HydrophobicContact CD1-CD2 4.12Å; L900-L1040 HydrophobicContact CD2-CD2 4.29Å; L900-L1040 HydrophobicContact CG-CD2 4.43Å; I998-L1040 HydrophobicContact CG2-CB 4.09Å; I998-L1040 HydrophobicContact CG2-CD2 4.21Å; I998-L1040 VanDerWaalsContact CG2-O 3.28Å; I998-L1040 WeakPolarHBondContact CG2-O 3.33Å; T1001-L1040 HydrophobicContact CG2-CD1 4.27Å; Q1002-L1040 HydrophobicContact CB-CB 4.32Å; Q1002-L1040 HydrophobicContact CB-CD1 3.98Å; N1036-L1040 WeakPolarHBondContact O-CG 3.48Å; N1036-L1040 PolarHBondContact O-N 3.28Å; I1037-L1040 PolarHBondContact O-N 2.79Å; L1040-G1042 PolarHBondContact O-N 3.41Å; L1040-Q1043 PolarHBondContact O-N 3.21Å; L1040-A1044 PolarHBondContact O-N 2.98Å; L1040-A1044 VanDerWaalsContact O-N 3.1Å
1041	K	85.6	Confident	86	Confident	62 Å²	62	30 Å²	30	27%	0.27	14%	0.141	S	C	.	.	H	α-helix	trans	-55.9	-51.6	179.7	174.7	172.5	173	-179.1	0	111.1	E708 I1037 Q1043 A1044 D1045	E708-K1041 IonicContact OE1-NZ 3.04Å; E708-K1041 PolarHBondContact OE1-NZ 3.02Å; E708-K1041 IonicContact OE2-NZ 3.03Å; E708-K1041 PolarHBondContact OE2-NZ 3.28Å; I1037-K1041 PolarHBondContact O-N 3.18Å; K1041-Q1043 VanDerWaalsContact C-N 3.26Å; K1041-Q1043 PolarHBondContact O-N 2.97Å; K1041-A1044 WeakPolarHBondContact O-CA 3.17Å; K1041-A1044 WeakPolarHBondContact O-CB 3.49Å; K1041-A1044 PolarHBondContact O-N 2.86Å; K1041-D1045 VanDerWaalsContact CE-OD2 3.26Å; K1041-D1045 WeakPolarHBondContact CE-OD2 3.44Å; K1041-D1045 VanDerWaalsContact CG-OD2 3.29Å; K1041-D1045 WeakPolarHBondContact CG-OD2 3.39Å; K1041-D1045 PolarHBondContact O-N 3.28Å
1042	G	83.6	Confident	86.1	Confident	4 Å²	4	30.3 Å²	30.3	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-33.9	-178.3	0	0	0	0	0	114.3	T1038 L1040 L1046	T1038-G1042 PolarHBondContact O-N 3.44Å; L1040-G1042 PolarHBondContact O-N 3.41Å; G1042-L1046 WeakPolarHBondContact O-CB 3.38Å; G1042-L1046 WeakPolarHBondContact O-CD1 3.31Å; G1042-L1046 WeakPolarHBondContact O-CG 3.18Å; G1042-L1046 PolarHBondContact O-N 3Å; G1042-L1046 VanDerWaalsContact O-N 3.07Å
1043	Q	86.3	Confident	85.9	Confident	23 Å²	23	31.8 Å²	31.8	11%	0.107	16%	0.156	C	C	.	.	H	α-helix	trans	-77.4	-27.8	177	-70	-69.7	-34.7	0	0	112.8	A879 L900 R907 I1039 L1040 K1041 L1047	A879-Q1043 HydrophobicContact CB-CG 4.16Å; L900-Q1043 HydrophobicContact CD2-CB 3.48Å; L900-Q1043 VanDerWaalsContact CD2-CB 3.48Å; L900-Q1043 HydrophobicContact CD2-CG 3.83Å; R907-Q1043 VanDerWaalsContact CZ-OE1 3.26Å; R907-Q1043 PolarHBondContact NH1-O 3.2Å; R907-Q1043 VanDerWaalsContact NH1-O 3.12Å; I1039-Q1043 HydrophobicContact CG2-CG 4.44Å; I1039-Q1043 VanDerWaalsContact O-CB 3.28Å; I1039-Q1043 WeakPolarHBondContact O-CB 3.49Å; I1039-Q1043 WeakPolarHBondContact O-CG 3.48Å; I1039-Q1043 PolarHBondContact O-N 3.11Å; L1040-Q1043 PolarHBondContact O-N 3.21Å; K1041-Q1043 VanDerWaalsContact C-N 3.26Å; K1041-Q1043 PolarHBondContact O-N 2.97Å; Q1043-L1047 PolarHBondContact O-N 3.27Å
1044	A	87.3	Confident	85.7	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-70.2	-46.5	169.6	0	0	0	0	0	111.5	Y995 I998 L1040 K1041 L1046 L1047 K1048	Y995-A1044 HydrophobicContact CD2-CB 3.76Å; Y995-A1044 HydrophobicContact CE2-CB 3.78Å; I998-A1044 HydrophobicContact CB-CB 4.49Å; I998-A1044 HydrophobicContact CG2-CB 4Å; L1040-A1044 PolarHBondContact O-N 2.98Å; L1040-A1044 VanDerWaalsContact O-N 3.1Å; K1041-A1044 WeakPolarHBondContact O-CA 3.17Å; K1041-A1044 WeakPolarHBondContact O-CB 3.49Å; K1041-A1044 PolarHBondContact O-N 2.86Å; A1044-L1046 PolarHBondContact O-N 2.91Å; A1044-L1047 WeakPolarHBondContact O-CB 3.47Å; A1044-L1047 PolarHBondContact O-N 3.42Å; A1044-K1048 PolarHBondContact O-N 3.32Å
1045	D	83.1	Confident	85.6	Confident	67 Å²	67	33.8 Å²	33.8	36%	0.358	16%	0.164	S	C	.	.	H	α-helix	trans	-60.9	-44	177.3	-71.3	-35.5	0	0	0	111.8	K1041 L1047 K1048 H1049	K1041-D1045 VanDerWaalsContact CE-OD2 3.26Å; K1041-D1045 WeakPolarHBondContact CE-OD2 3.44Å; K1041-D1045 VanDerWaalsContact CG-OD2 3.29Å; K1041-D1045 WeakPolarHBondContact CG-OD2 3.39Å; K1041-D1045 PolarHBondContact O-N 3.28Å; D1045-L1047 VanDerWaalsContact C-N 3.27Å; D1045-L1047 PolarHBondContact O-N 3.32Å; D1045-K1048 PolarHBondContact O-N 3.46Å; D1045-H1049 WeakPolarHBondContact O-CB 3.42Å; D1045-H1049 PolarHBondContact O-N 2.67Å
1046	L	83.6	Confident	85.2	Confident	33 Å²	33	35.7 Å²	35.7	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-31.9	173.2	-74.4	170.1	0	0	0	113.3	R907 G1042 A1044 A1050	R907-L1046 VanDerWaalsContact CD-O 3.24Å; R907-L1046 WeakPolarHBondContact CD-O 3.34Å; G1042-L1046 WeakPolarHBondContact O-CB 3.38Å; G1042-L1046 WeakPolarHBondContact O-CD1 3.31Å; G1042-L1046 WeakPolarHBondContact O-CG 3.18Å; G1042-L1046 PolarHBondContact O-N 3Å; G1042-L1046 VanDerWaalsContact O-N 3.07Å; A1044-L1046 PolarHBondContact O-N 2.91Å; L1046-A1050 WeakPolarHBondContact O-CB 3.31Å; L1046-A1050 PolarHBondContact O-N 3.15Å; L1046-A1050 VanDerWaalsContact O-N 3.15Å
1047	L	87.7	Confident	84.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-75	-41.9	176.5	-176.3	61.6	0	0	0	111.4	A903 L906 R907 S991 V994 Q1043 A1044 D1045 A1050 R1051	A903-L1047 HydrophobicContact CB-CD2 4.02Å; L906-L1047 HydrophobicContact CD1-CD1 4.37Å; R907-L1047 HydrophobicContact CG-CD1 4.19Å; S991-L1047 WeakPolarHBondContact O-CD2 3.24Å; V994-L1047 HydrophobicContact CB-CD2 3.98Å; V994-L1047 HydrophobicContact CG1-CD2 3.9Å; Q1043-L1047 PolarHBondContact O-N 3.27Å; A1044-L1047 WeakPolarHBondContact O-CB 3.47Å; A1044-L1047 PolarHBondContact O-N 3.42Å; D1045-L1047 VanDerWaalsContact C-N 3.27Å; D1045-L1047 PolarHBondContact O-N 3.32Å; L1047-A1050 PolarHBondContact O-N 2.74Å; L1047-R1051 PolarHBondContact O-N 3.19Å
1048	K	85.5	Confident	84.7	Confident	120 Å²	120	37.4 Å²	37.4	52%	0.522	18%	0.183	S	C	.	.	H	α-helix	trans	-60.5	-43.7	173.2	-175.5	172.6	-179.9	174.3	0	111.5	Y995 A1044 D1045 R1051 S1052	Y995-K1048 HydrophobicContact CE2-CB 4.22Å; Y995-K1048 HydrophobicContact CE2-CD 4.35Å; A1044-K1048 PolarHBondContact O-N 3.32Å; D1045-K1048 PolarHBondContact O-N 3.46Å; K1048-R1051 WeakPolarHBondContact O-CB 3.18Å; K1048-R1051 PolarHBondContact O-N 2.69Å; K1048-S1052 PolarHBondContact O-N 3.01Å; K1048-S1052 PolarHBondContact O-OG 3.08Å
1049	H	81.9	Confident	84.3	Confident	105 Å²	105	41.2 Å²	41.2	49%	0.486	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-43.5	176.8	-163.8	95.5	0	0	0	112.3	D1045 R1051 S1052 E1053	D1045-H1049 WeakPolarHBondContact O-CB 3.42Å; D1045-H1049 PolarHBondContact O-N 2.67Å; H1049-R1051 VanDerWaalsContact C-N 3.29Å; H1049-R1051 PolarHBondContact O-N 3.26Å; H1049-S1052 PolarHBondContact O-N 2.79Å; H1049-E1053 PolarHBondContact O-N 3.37Å
1050	A	84.8	Confident	83.9	Confident	5 Å²	5	42.8 Å²	42.8	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-29.7	176.5	0	0	0	0	0	113.4	R907 M910 L987 L1046 L1047 V1054	R907-A1050 HydrophobicContact CG-CB 3.71Å; M910-A1050 HydrophobicContact CE-CB 3.98Å; L987-A1050 HydrophobicContact CD1-CB 4.18Å; L1046-A1050 WeakPolarHBondContact O-CB 3.31Å; L1046-A1050 PolarHBondContact O-N 3.15Å; L1046-A1050 VanDerWaalsContact O-N 3.15Å; L1047-A1050 PolarHBondContact O-N 2.74Å; A1050-V1054 WeakPolarHBondContact O-CG2 3.31Å; A1050-V1054 PolarHBondContact O-N 3.02Å; A1050-V1054 VanDerWaalsContact O-N 3.11Å
1051	R	87.5	Confident	83.6	Confident	60 Å²	60	42.9 Å²	42.9	23%	0.226	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-47.9	170.9	-178	-171.7	178.8	84.1	-13.2	111.1	L987 L988 S991 D992 L1047 K1048 H1049 V1054 Q1055	L987-R1051 HydrophobicContact CD2-CB 4.12Å; L988-R1051 HydrophobicContact CD2-CB 4.48Å; L988-R1051 HydrophobicContact CD2-CG 3.69Å; L988-R1051 PolarHBondContact O-NH1 2.99Å; S991-R1051 PolarHBondContact OG-NH1 2.8Å; D992-R1051 VanDerWaalsContact CG-CZ 3.41Å; D992-R1051 VanDerWaalsContact CG-NH1 3.34Å; D992-R1051 VanDerWaalsContact CG-NH2 3.3Å; D992-R1051 IonicContact OD1-CZ 2.8Å; D992-R1051 IonicContact OD1-NE 2.73Å; D992-R1051 PolarHBondContact OD1-NE 3.48Å; D992-R1051 IonicContact OD1-NH1 3.42Å; D992-R1051 PolarHBondContact OD1-NH1 3.39Å; D992-R1051 IonicContact OD1-NH2 2.67Å; D992-R1051 PolarHBondContact OD1-NH2 3.32Å; D992-R1051 VanDerWaalsContact OD1-NH2 3.12Å; D992-R1051 IonicContact OD2-CZ 3.55Å; D992-R1051 IonicContact OD2-NH1 3.61Å; D992-R1051 PolarHBondContact OD2-NH1 2.71Å; D992-R1051 IonicContact OD2-NH2 2.81Å; D992-R1051 PolarHBondContact OD2-NH2 2.74Å; L1047-R1051 PolarHBondContact O-N 3.19Å; K1048-R1051 WeakPolarHBondContact O-CB 3.18Å; K1048-R1051 PolarHBondContact O-N 2.69Å; H1049-R1051 VanDerWaalsContact C-N 3.29Å; H1049-R1051 PolarHBondContact O-N 3.26Å; R1051-V1054 PolarHBondContact O-N 3.18Å; R1051-Q1055 WeakPolarHBondContact O-CG 3.4Å; R1051-Q1055 PolarHBondContact O-N 2.73Å; R1051-Q1055 VanDerWaalsContact O-N 3.09Å
1052	S	82.4	Confident	83.3	Confident	61 Å²	61	41.9 Å²	41.9	43%	0.427	20%	0.203	S	C	.	.	H	α-helix	trans	-63.1	-39.6	175.9	-56.8	0	0	0	0	112.5	K1048 H1049 V1054 Q1055 E1056	K1048-S1052 PolarHBondContact O-N 3.01Å; K1048-S1052 PolarHBondContact O-OG 3.08Å; H1049-S1052 PolarHBondContact O-N 2.79Å; S1052-V1054 PolarHBondContact O-N 3.44Å; S1052-Q1055 PolarHBondContact O-N 3.5Å; S1052-E1056 PolarHBondContact O-N 3.08Å
1053	E	82.6	Confident	82.7	Confident	36 Å²	36	48.1 Å²	48.1	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-45.6	174.4	-170.5	-166	170	0	0	111.6	K861 H1049 E1056 N1057	K861-E1053 IonicContact NZ-OE1 3.22Å; K861-E1053 PolarHBondContact NZ-OE1 2.8Å; K861-E1053 IonicContact NZ-OE2 2.75Å; K861-E1053 PolarHBondContact NZ-OE2 2.89Å; H1049-E1053 PolarHBondContact O-N 3.37Å; E1053-E1056 PolarHBondContact O-N 3.18Å; E1053-N1057 VanDerWaalsContact O-CB 3.31Å; E1053-N1057 WeakPolarHBondContact O-CB 3.42Å; E1053-N1057 VanDerWaalsContact O-CG 3.3Å; E1053-N1057 PolarHBondContact O-N 2.97Å; E1053-N1057 PolarHBondContact O-ND2 3.44Å; E1053-N1057 VanDerWaalsContact O-ND2 3.11Å
1054	V	85.5	Confident	82.1	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-42.1	176.3	169.2	0	0	0	0	111.9	M910 L987 L988 A1050 R1051 S1052 E1056 N1057 L1058	M910-V1054 HydrophobicContact CE-CG2 3.91Å; M910-V1054 HydrophobicContact CG-CG2 3.62Å; M910-V1054 HydrophobicContact SD-CG2 3.91Å; L987-V1054 HydrophobicContact CD1-CG2 4.38Å; L987-V1054 HydrophobicContact CD2-CG2 4.3Å; L988-V1054 HydrophobicContact CD1-CG1 3.99Å; L988-V1054 HydrophobicContact CD2-CB 4.08Å; L988-V1054 HydrophobicContact CD2-CG1 3.86Å; L988-V1054 HydrophobicContact CG-CB 4.5Å; L988-V1054 HydrophobicContact CG-CG1 3.76Å; A1050-V1054 WeakPolarHBondContact O-CG2 3.31Å; A1050-V1054 PolarHBondContact O-N 3.02Å; A1050-V1054 VanDerWaalsContact O-N 3.11Å; R1051-V1054 PolarHBondContact O-N 3.18Å; S1052-V1054 PolarHBondContact O-N 3.44Å; V1054-E1056 VanDerWaalsContact C-N 3.33Å; V1054-E1056 PolarHBondContact O-N 3.01Å; V1054-N1057 PolarHBondContact O-N 3.23Å; V1054-L1058 HydrophobicContact CG1-CD1 4.03Å; V1054-L1058 HydrophobicContact CG1-CG 4.46Å; V1054-L1058 WeakPolarHBondContact O-CG 3.26Å; V1054-L1058 PolarHBondContact O-N 2.92Å
1055	Q	83.5	Confident	81.5	Confident	61 Å²	61	46.9 Å²	46.9	29%	0.285	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-41.6	176.7	-71.4	175.9	-16.9	0	0	111.9	L988 R1051 S1052 K1059	L988-Q1055 HydrophobicContact CD2-CG 4.16Å; R1051-Q1055 WeakPolarHBondContact O-CG 3.4Å; R1051-Q1055 PolarHBondContact O-N 2.73Å; R1051-Q1055 VanDerWaalsContact O-N 3.09Å; S1052-Q1055 PolarHBondContact O-N 3.5Å; Q1055-K1059 WeakPolarHBondContact O-CG 3.17Å; Q1055-K1059 PolarHBondContact O-N 2.93Å
1056	E	77.9	Confident	80.9	Confident	82 Å²	82	47.4 Å²	47.4	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-71.9	-39.4	177.8	-164.1	56.6	-140.3	0	0	112.3	S1052 E1053 V1054 L1058 K1059 Q1060	S1052-E1056 PolarHBondContact O-N 3.08Å; E1053-E1056 PolarHBondContact O-N 3.18Å; V1054-E1056 VanDerWaalsContact C-N 3.33Å; V1054-E1056 PolarHBondContact O-N 3.01Å; E1056-L1058 VanDerWaalsContact C-N 3.3Å; E1056-L1058 PolarHBondContact O-N 2.94Å; E1056-K1059 WeakPolarHBondContact O-CB 3.17Å; E1056-K1059 PolarHBondContact O-N 2.69Å; E1056-K1059 WeakPolarHBondContact OE2-CD 3.43Å; E1056-K1059 WeakPolarHBondContact OE2-CE 3.4Å; E1056-K1059 IonicContact OE2-NZ 2.61Å; E1056-K1059 PolarHBondContact OE2-NZ 2.73Å; E1056-Q1060 WeakPolarHBondContact O-CG 3.19Å; E1056-Q1060 PolarHBondContact O-N 2.97Å
1057	N	83	Confident	80.2	Confident	21 Å²	21	48.6 Å²	48.6	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-41.1	172.6	-83.3	-36.2	0	0	0	112.3	L929 E1053 V1054 Q1060 I1061	L929-N1057 HydrophobicContact CD1-CB 3.59Å; L929-N1057 WeakPolarHBondContact CD1-OD1 3.46Å; E1053-N1057 VanDerWaalsContact O-CB 3.31Å; E1053-N1057 WeakPolarHBondContact O-CB 3.42Å; E1053-N1057 VanDerWaalsContact O-CG 3.3Å; E1053-N1057 PolarHBondContact O-N 2.97Å; E1053-N1057 PolarHBondContact O-ND2 3.44Å; E1053-N1057 VanDerWaalsContact O-ND2 3.11Å; V1054-N1057 PolarHBondContact O-N 3.23Å; N1057-Q1060 PolarHBondContact O-N 2.8Å; N1057-I1061 WeakPolarHBondContact O-CG1 3.35Å; N1057-I1061 PolarHBondContact O-N 2.56Å; N1057-I1061 VanDerWaalsContact O-N 3.14Å
1058	L	84.4	Confident	79.2	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-39.2	175.6	-71.2	169.1	0	0	0	112.3	Y957 I981 L988 V1054 E1056 I1061 H1062	Y957-L1058 HydrophobicContact CD1-CD1 4.14Å; Y957-L1058 HydrophobicContact CD1-CD2 4.42Å; Y957-L1058 HydrophobicContact CE1-CD1 4.09Å; I981-L1058 HydrophobicContact CD1-CD2 3.9Å; L988-L1058 HydrophobicContact CD1-CD1 4.02Å; V1054-L1058 HydrophobicContact CG1-CD1 4.03Å; V1054-L1058 HydrophobicContact CG1-CG 4.46Å; V1054-L1058 WeakPolarHBondContact O-CG 3.26Å; V1054-L1058 PolarHBondContact O-N 2.92Å; E1056-L1058 VanDerWaalsContact C-N 3.3Å; E1056-L1058 PolarHBondContact O-N 2.94Å; L1058-I1061 PolarHBondContact O-N 3.42Å; L1058-H1062 WeakPolarHBondContact O-CB 3.29Å; L1058-H1062 PolarHBondContact O-N 3.49Å
1059	K	78.9	Confident	78.4	Confident	93 Å²	93	50.5 Å²	50.5	40%	0.404	25%	0.248	S	C	.	.	H	α-helix	trans	-61.1	-46.2	172.3	-66.9	175.4	-145.7	160.3	0	111.6	Q1055 E1056 I1061 H1062 Y1063	Q1055-K1059 WeakPolarHBondContact O-CG 3.17Å; Q1055-K1059 PolarHBondContact O-N 2.93Å; E1056-K1059 WeakPolarHBondContact O-CB 3.17Å; E1056-K1059 PolarHBondContact O-N 2.69Å; E1056-K1059 WeakPolarHBondContact OE2-CD 3.43Å; E1056-K1059 WeakPolarHBondContact OE2-CE 3.4Å; E1056-K1059 IonicContact OE2-NZ 2.61Å; E1056-K1059 PolarHBondContact OE2-NZ 2.73Å; K1059-I1061 VanDerWaalsContact C-N 3.32Å; K1059-I1061 PolarHBondContact O-N 2.56Å; K1059-H1062 PolarHBondContact O-N 3.08Å; K1059-H1062 VanDerWaalsContact O-N 3.15Å; K1059-Y1063 HydrophobicContact CB-CD2 4.24Å; K1059-Y1063 HydrophobicContact CB-CE2 4.14Å; K1059-Y1063 WeakPolarHBondContact O-CD2 3.46Å; K1059-Y1063 PolarHBondContact O-N 2.98Å
1060	Q	77.6	Confident	77.8	Confident	44 Å²	44	45.7 Å²	45.7	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-45.6	177.9	-73.6	178.8	24.1	0	0	111.6	L929 K930 E1056 N1057 S1064	L929-Q1060 VanDerWaalsContact N-OE1 3.14Å; K930-Q1060 HydrophobicContact CB-CB 4.35Å; E1056-Q1060 WeakPolarHBondContact O-CG 3.19Å; E1056-Q1060 PolarHBondContact O-N 2.97Å; N1057-Q1060 PolarHBondContact O-N 2.8Å; Q1060-S1064 VanDerWaalsContact O-CB 3.28Å; Q1060-S1064 WeakPolarHBondContact O-CB 3.17Å; Q1060-S1064 PolarHBondContact O-N 3.02Å; Q1060-S1064 PolarHBondContact O-OG 3.33Å
1061	I	82.6	Confident	77.2	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-49.4	175.4	-67.8	166.9	0	0	0	110.6	L929 I933 F951 P958 Y977 M980 I981 N1057 L1058 K1059 S1064 A1065	L929-I1061 HydrophobicContact CB-CG1 4.31Å; L929-I1061 HydrophobicContact CD1-CD1 4.08Å; L929-I1061 HydrophobicContact CD1-CG1 4.35Å; I933-I1061 HydrophobicContact CG1-CG1 4.45Å; F951-I1061 HydrophobicContact CE1-CG2 4.39Å; P958-I1061 HydrophobicContact CB-CG2 4.04Å; P958-I1061 HydrophobicContact CG-CG2 4.07Å; Y977-I1061 HydrophobicContact CE2-CD1 4.2Å; Y977-I1061 HydrophobicContact CE2-CG2 4.45Å; Y977-I1061 WeakPolarHBondContact OH-CG2 3.39Å; M980-I1061 HydrophobicContact CE-CD1 3.72Å; I981-I1061 HydrophobicContact CD1-CD1 4.1Å; N1057-I1061 WeakPolarHBondContact O-CG1 3.35Å; N1057-I1061 PolarHBondContact O-N 2.56Å; N1057-I1061 VanDerWaalsContact O-N 3.14Å; L1058-I1061 PolarHBondContact O-N 3.42Å; K1059-I1061 VanDerWaalsContact C-N 3.32Å; K1059-I1061 PolarHBondContact O-N 2.56Å; I1061-S1064 PolarHBondContact O-N 3.13Å; I1061-A1065 WeakPolarHBondContact O-CB 3.26Å; I1061-A1065 PolarHBondContact O-N 2.65Å
1062	H	79.2	Confident	75.9	Confident	40 Å²	40	49.2 Å²	49.2	19%	0.185	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-49.7	-177.1	-168.6	109.3	0	0	0	112.2	L1058 K1059 S1064 A1065 L1066	L1058-H1062 WeakPolarHBondContact O-CB 3.29Å; L1058-H1062 PolarHBondContact O-N 3.49Å; K1059-H1062 PolarHBondContact O-N 3.08Å; K1059-H1062 VanDerWaalsContact O-N 3.15Å; H1062-S1064 PolarHBondContact O-N 3.21Å; H1062-A1065 PolarHBondContact O-N 2.92Å; H1062-L1066 WeakPolarHBondContact O-CG 3.26Å; H1062-L1066 PolarHBondContact O-N 3.26Å
1063	Y	71.2	Confident	74.3	Confident	135 Å²	135	49.5 Å²	49.5	53%	0.529	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.4	-72.7	-60	0	0	0	112	K1059 L1066 T1067	K1059-Y1063 HydrophobicContact CB-CD2 4.24Å; K1059-Y1063 HydrophobicContact CB-CE2 4.14Å; K1059-Y1063 WeakPolarHBondContact O-CD2 3.46Å; K1059-Y1063 PolarHBondContact O-N 2.98Å; Y1063-L1066 WeakPolarHBondContact O-CB 3.28Å; Y1063-L1066 PolarHBondContact O-N 3.45Å; Y1063-T1067 PolarHBondContact O-N 3.42Å; Y1063-T1067 PolarHBondContact O-OG1 3.16Å; Y1063-T1067 VanDerWaalsContact O-OG1 3.04Å
1064	S	73.4	Confident	72.3	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-40.4	-179.4	-53	0	0	0	0	112.6	K930 Q1060 I1061 H1062 L1066 T1067 C1068	K930-S1064 VanDerWaalsContact CA-OG 3.26Å; K930-S1064 WeakPolarHBondContact CA-OG 3.48Å; K930-S1064 WeakPolarHBondContact CB-OG 3.11Å; K930-S1064 WeakPolarHBondContact CG-OG 3.49Å; Q1060-S1064 VanDerWaalsContact O-CB 3.28Å; Q1060-S1064 WeakPolarHBondContact O-CB 3.17Å; Q1060-S1064 PolarHBondContact O-N 3.02Å; Q1060-S1064 PolarHBondContact O-OG 3.33Å; I1061-S1064 PolarHBondContact O-N 3.13Å; H1062-S1064 PolarHBondContact O-N 3.21Å; S1064-L1066 VanDerWaalsContact C-N 3.26Å; S1064-L1066 PolarHBondContact O-N 2.87Å; S1064-T1067 PolarHBondContact O-N 3.09Å; S1064-C1068 WeakPolarHBondContact O-CB 3.42Å; S1064-C1068 PolarHBondContact O-N 3.44Å; S1064-C1068 PolarHBondContact O-SG 3.03Å
1065	A	75.9	Confident	69.7	Low	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-34.4	175.8	0	0	0	0	0	112.3	F951 L953 I1061 H1062 L1070 S1071	F951-A1065 HydrophobicContact CB-CB 3.86Å; F951-A1065 HydrophobicContact CD1-CB 4.44Å; F951-A1065 HydrophobicContact CD2-CB 3.61Å; F951-A1065 HydrophobicContact CE2-CB 4.28Å; F951-A1065 HydrophobicContact CG-CB 3.71Å; L953-A1065 HydrophobicContact CD1-CB 4.1Å; L953-A1065 HydrophobicContact CD2-CB 4.02Å; I1061-A1065 WeakPolarHBondContact O-CB 3.26Å; I1061-A1065 PolarHBondContact O-N 2.65Å; H1062-A1065 PolarHBondContact O-N 2.92Å; A1065-L1070 PolarHBondContact O-N 3.13Å; A1065-S1071 PolarHBondContact O-N 3.07Å
1066	L	70.3	Confident	67.1	Low	77 Å²	77	59.9 Å²	59.9	40%	0.403	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-50.5	171	-67.3	171.2	0	0	0	111.7	L953 H1062 Y1063 S1064 C1068 N1069	L953-L1066 HydrophobicContact CD1-CD2 3.71Å; L953-L1066 HydrophobicContact CD1-CG 3.78Å; H1062-L1066 WeakPolarHBondContact O-CG 3.26Å; H1062-L1066 PolarHBondContact O-N 3.26Å; Y1063-L1066 WeakPolarHBondContact O-CB 3.28Å; Y1063-L1066 PolarHBondContact O-N 3.45Å; S1064-L1066 VanDerWaalsContact C-N 3.26Å; S1064-L1066 PolarHBondContact O-N 2.87Å; L1066-C1068 VanDerWaalsContact C-N 3.28Å; L1066-C1068 PolarHBondContact O-N 3.45Å; L1066-N1069 PolarHBondContact O-N 3.25Å
1067	T	67.8	Low	64.8	Low	58 Å²	58	59.7 Å²	59.7	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-57.9	-39	179.6	-54.5	0	0	0	0	112.3	Y1063 S1064 N1069	Y1063-T1067 PolarHBondContact O-N 3.42Å; Y1063-T1067 PolarHBondContact O-OG1 3.16Å; Y1063-T1067 VanDerWaalsContact O-OG1 3.04Å; S1064-T1067 PolarHBondContact O-N 3.09Å; T1067-N1069 VanDerWaalsContact C-N 3.25Å; T1067-N1069 PolarHBondContact O-N 2.67Å
1068	C	66.4	Low	62.1	Low	23 Å²	23	62.6 Å²	62.6	16%	0.155	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-1.4	178.2	-64.4	0	0	0	0	114.6	S937 S1064 L1066 L1070	S937-C1068 WeakPolarHBondContact OG-CB 3.26Å; S1064-C1068 WeakPolarHBondContact O-CB 3.42Å; S1064-C1068 PolarHBondContact O-N 3.44Å; S1064-C1068 PolarHBondContact O-SG 3.03Å; L1066-C1068 VanDerWaalsContact C-N 3.28Å; L1066-C1068 PolarHBondContact O-N 3.45Å; C1068-L1070 HydrophobicContact CB-CB 4.39Å; C1068-L1070 HydrophobicContact CB-CD1 3.75Å; C1068-L1070 HydrophobicContact CB-CG 3.75Å; C1068-L1070 PolarHBondContact O-N 3.39Å
1069	N	68.8	Low	59.6	Low	138 Å²	138	67.6 Å²	67.6	74%	0.738	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	24.4	-169.9	-58.8	-78.4	0	0	0	114.4	L1066 T1067 S1071	L1066-N1069 PolarHBondContact O-N 3.25Å; T1067-N1069 VanDerWaalsContact C-N 3.25Å; T1067-N1069 PolarHBondContact O-N 2.67Å; N1069-S1071 VanDerWaalsContact C-N 3.27Å; N1069-S1071 PolarHBondContact O-N 3.42Å
1070	L	70.3	Confident	57.1	Low	5 Å²	5	69 Å²	69	3%	0.026	47%	0.467	C	S	.	.			trans	-89.2	11.3	179.6	-64.2	174	0	0	0	112.8	L940 L950 F951 A1065 C1068	L940-L1070 HydrophobicContact CB-CD1 4.37Å; L940-L1070 HydrophobicContact CB-CD2 4.38Å; L940-L1070 HydrophobicContact CD1-CD1 3.67Å; L950-L1070 WeakPolarHBondContact CD2-O 3.41Å; F951-L1070 HydrophobicContact CD2-CB 3.78Å; F951-L1070 HydrophobicContact CD2-CD1 4.4Å; F951-L1070 HydrophobicContact CE2-CB 4.21Å; F951-L1070 HydrophobicContact CE2-CD1 3.99Å; F951-L1070 PolarHBondContact N-O 3.47Å; A1065-L1070 PolarHBondContact O-N 3.13Å; C1068-L1070 HydrophobicContact CB-CB 4.39Å; C1068-L1070 HydrophobicContact CB-CD1 3.75Å; C1068-L1070 HydrophobicContact CB-CG 3.75Å; C1068-L1070 PolarHBondContact O-N 3.39Å
1071	S	71.6	Confident	54.9	Low	26 Å²	26	71 Å²	71	18%	0.182	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-86.5	136.9	179.6	64.4	0	0	0	0	112	A1065 N1069 G1073	A1065-S1071 PolarHBondContact O-N 3.07Å; N1069-S1071 VanDerWaalsContact C-N 3.27Å; N1069-S1071 PolarHBondContact O-N 3.42Å; S1071-G1073 VanDerWaalsContact C-N 3.32Å; S1071-G1073 PolarHBondContact O-N 3.44Å
1072	K	60.8	Low	52.2	Low	113 Å²	113	76.5 Å²	76.5	49%	0.491	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	83.3	176.6	-175	172.9	172	174.9	0	111.5	F951 E961	F951-K1072 PolarHBondContact O-N 2.63Å; F951-K1072 VanDerWaalsContact O-N 3.1Å; E961-K1072 IonicContact OE1-NZ 2.64Å; E961-K1072 PolarHBondContact OE1-NZ 2.88Å; E961-K1072 WeakPolarHBondContact OE2-CD 3.2Å; E961-K1072 WeakPolarHBondContact OE2-CE 3.46Å; E961-K1072 IonicContact OE2-NZ 2.6Å; E961-K1072 PolarHBondContact OE2-NZ 2.9Å
1073	G	48.9	Very low	50.1	Low	67 Å²	67	81.1 Å²	81.1	69%	0.691	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	169	-18.7	177.5	0	0	0	0	0	116.1	S1071 T1075	S1071-G1073 VanDerWaalsContact C-N 3.32Å; S1071-G1073 PolarHBondContact O-N 3.44Å; G1073-T1075 PolarHBondContact O-N 3.14Å
1074	G	39.8	Very low	47.8	Very low	68 Å²	68	80.9 Å²	80.9	70%	0.701	58%	0.576	S	S	*	*			trans	-76.5	99.6	175.6	0	0	0	0	0	112.3	A1076	G1074-A1076 PolarHBondContact O-N 2.8Å
1075	T	31	Very low	45.9	Very low	139 Å²	139	86.5 Å²	86.5	85%	0.853	62%	0.615	S	S	*	*			trans	-74.1	120.4	178.8	49	0	0	0	0	112.4	G1073	G1073-T1075 PolarHBondContact O-N 3.14Å
1076	A	30.3	Very low	43.5	Very low	107 Å²	107	95 Å²	95	88%	0.884	65%	0.652	S	S	*	*			trans	-81	131.5	164.5	0	0	0	0	0	111	G1074	G1074-A1076 PolarHBondContact O-N 2.8Å
1077	G	27.9	Very low	41.3	Very low	78 Å²	78	96.4 Å²	96.4	80%	0.804	67%	0.668	S	S	*	*			trans	120	131.4	158.6	0	0	0	0	0	117.1
1078	G	26.3	Very low	39.4	Very low	83 Å²	83	105.6 Å²	105.6	86%	0.856	70%	0.697	S	S	*	*			trans	98.1	130.4	154.8	0	0	0	0	0	116.5
1079	S	32.2	Very low	37.4	Very low	123 Å²	123	115.6 Å²	115.6	86%	0.86	73%	0.731	S	S	*	*			trans	-83.8	124	172.8	46.3	0	0	0	0	112.2
1080	S	27.3	Very low	35.4	Very low	124 Å²	124	113.6 Å²	113.6	87%	0.867	73%	0.728	S	S	*	*			trans	-168.2	147.8	141.6	46.4	0	0	0	0	109.8
1081	G	31.6	Very low	33.5	Very low	84 Å²	84	119.9 Å²	119.9	87%	0.866	76%	0.761	S	S	*	*			trans	-89.3	131.5	-174.5	0	0	0	0	0	113
1082	S	24.6	Very low	31.4	Very low	118 Å²	118	126.6 Å²	126.6	83%	0.825	79%	0.789	S	S	*	*			trans	-150.3	131	156.2	-172.2	0	0	0	0	109.2
1083	T	35.3	Very low	29.8	Very low	138 Å²	138	125.5 Å²	125.5	85%	0.847	80%	0.802	S	S	*	*			trans	-82	118.7	174.7	47.9	0	0	0	0	110.3
1084	D	24.4	Very low	29	Very low	130 Å²	130	128 Å²	128	70%	0.695	80%	0.798	S	S	*	*			trans	-153.2	116.5	152.5	-152.6	17.1	0	0	0	110.7	K1086	D1084-K1086 IonicContact OD2-NZ 2.74Å
1085	S	32	Very low	28.3	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	80%	0.801	S	S	*	*			trans	-90.2	109.5	-175.6	56	0	0	0	0	111
1086	K	25.1	Very low	28.1	Very low	178 Å²	178	132.6 Å²	132.6	77%	0.774	80%	0.802	S	S	*	*			trans	-114.2	133.2	168.1	-76	174.7	-179	158.4	0	110.5	D1084	D1084-K1086 IonicContact OD2-NZ 2.74Å
1087	S	24.2	Very low	28	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	80%	0.8	S	S	*	*			trans	-66.8	142	-165.6	46.4	0	0	0	0	113.1	R1089	S1087-R1089 PolarHBondContact O-N 3.17Å; S1087-R1089 VanDerWaalsContact O-N 3.1Å
1088	R	29.1	Very low	28	Very low	252 Å²	252	137.9 Å²	137.9	95%	0.951	80%	0.801	S	S	*	*			trans	-56.9	112.1	156.4	-73.8	176.1	170.3	169.3	-5.2	107.5	S1090	R1088-S1090 PolarHBondContact O-N 2.68Å
1089	R	23.7	Very low	28.1	Very low	233 Å²	233	139.9 Å²	139.9	88%	0.879	80%	0.797	S	S	*	*			trans	-77.4	111.2	162.4	-93.8	-175.6	164.4	175.2	-5.8	108.1	S1087	S1087-R1089 PolarHBondContact O-N 3.17Å; S1087-R1089 VanDerWaalsContact O-N 3.1Å
1090	S	26.5	Very low	27.8	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	79%	0.793	S	S	*	*			trans	-61.1	155.2	155.7	41.8	0	0	0	0	109.6	R1088 E1092	R1088-S1090 PolarHBondContact O-N 2.68Å; S1090-E1092 PolarHBondContact O-N 3.49Å
1091	L	31.6	Very low	27.9	Very low	136 Å²	136	140.4 Å²	140.4	71%	0.712	79%	0.792	S	S	*	*			trans	-68.5	100.5	162.4	-77.1	161.9	0	0	0	108
1092	E	27.8	Very low	27.6	Very low	167 Å²	167	145.1 Å²	145.1	78%	0.78	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.9	160.8	156.6	-70.5	178.3	137.4	0	0	109.3	S1090	S1090-E1092 PolarHBondContact O-N 3.49Å
1093	A	27.1	Very low	27.7	Very low	91 Å²	91	148 Å²	148	75%	0.752	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-54.2	144.5	-169.5	0	0	0	0	0	113	P1095	A1093-P1095 VanDerWaalsContact O-N 3.17Å
1094	I	31.6	Very low	27.3	Very low	119 Å²	119	149.2 Å²	149.2	61%	0.61	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-54.1	123.1	162.6	-60.4	170.8	0	0	0	106	E1096	I1094-E1096 PolarHBondContact O-N 3.3Å
1095	P	24.7	Very low	27.4	Very low	118 Å²	118	148.9 Å²	148.9	77%	0.766	80%	0.795	S	S	*	*			trans	-65.7	109.1	-172.9	24.5	-33.5	0	0	0	109.7	A1093 K1097	A1093-P1095 VanDerWaalsContact O-N 3.17Å; P1095-K1097 PolarHBondContact O-N 3.13Å
1096	E	27.8	Very low	27.3	Very low	186 Å²	186	151 Å²	151	87%	0.869	80%	0.797	S	S	*	*			trans	-59.4	126.7	168.4	-66.3	-176.3	141.4	0	0	108.1	I1094 A1098	I1094-E1096 PolarHBondContact O-N 3.3Å; E1096-A1098 PolarHBondContact O-N 3.5Å
1097	K	28.3	Very low	27.3	Very low	194 Å²	194	151.3 Å²	151.3	84%	0.843	80%	0.802	S	S	*	*			trans	-67.5	107.6	164.2	-81.2	-176.4	174.1	179.6	0	106.3	P1095 T1099	P1095-K1097 PolarHBondContact O-N 3.13Å; K1097-T1099 PolarHBondContact O-N 3.13Å
1098	A	26.2	Very low	27.5	Very low	101 Å²	101	154.9 Å²	154.9	84%	0.835	81%	0.806	S	S	*	*			trans	-54.7	101.7	175.9	0	0	0	0	0	110.4	E1096 G1100	E1096-A1098 PolarHBondContact O-N 3.5Å; A1098-G1100 PolarHBondContact O-N 3.33Å
1099	T	29	Very low	27.6	Very low	126 Å²	126	154.6 Å²	154.6	77%	0.773	82%	0.824	S	S	*	*			trans	-75.3	108.3	159.8	43.6	0	0	0	0	106.4	K1097 E1101	K1097-T1099 PolarHBondContact O-N 3.13Å; T1099-E1101 PolarHBondContact O-N 3.2Å; T1099-E1101 VanDerWaalsContact O-N 3.12Å
1100	G	27	Very low	27.8	Very low	74 Å²	74	150.7 Å²	150.7	76%	0.763	82%	0.821	S	S	*	*			trans	-67.2	109.1	176.8	0	0	0	0	0	110.3	A1098 E1102	A1098-G1100 PolarHBondContact O-N 3.33Å; G1100-E1102 PolarHBondContact O-N 2.93Å
1101	E	27.7	Very low	27.9	Very low	183 Å²	183	153.6 Å²	153.6	86%	0.855	83%	0.829	S	S	*	*			trans	-82.1	104.2	159.1	-65.5	-174.2	140.8	0	0	106.7	T1099 E1103	T1099-E1101 PolarHBondContact O-N 3.2Å; T1099-E1101 VanDerWaalsContact O-N 3.12Å; E1101-E1103 PolarHBondContact O-N 3.37Å
1102	E	25.6	Very low	27.7	Very low	183 Å²	183	154.6 Å²	154.6	86%	0.855	84%	0.836	S	S	*	*			trans	-76.4	106.4	170.1	-71.9	-175.9	142.6	0	0	108.5	G1100 L1104	G1100-E1102 PolarHBondContact O-N 2.93Å; E1102-L1104 PolarHBondContact O-N 3.25Å; E1102-L1104 VanDerWaalsContact O-N 3.08Å
1103	E	27.3	Very low	27.7	Very low	179 Å²	179	153.8 Å²	153.8	84%	0.836	84%	0.839	S	S	*	*			trans	-64.7	105.2	167.6	-70.3	-173.2	126.4	0	0	109.2	E1101 T1105	E1101-E1103 PolarHBondContact O-N 3.37Å; E1103-T1105 PolarHBondContact O-N 2.77Å
1104	L	26.8	Very low	27.7	Very low	163 Å²	163	157.8 Å²	157.8	85%	0.853	84%	0.844	S	S	*	*			trans	-72.6	95	169.2	-81.1	167.4	0	0	0	109.4	E1102	E1102-L1104 PolarHBondContact O-N 3.25Å; E1102-L1104 VanDerWaalsContact O-N 3.08Å
1105	T	26.5	Very low	27.4	Very low	123 Å²	123	160.3 Å²	160.3	76%	0.755	86%	0.86	S	S	*	*			trans	-82.7	109.9	167.1	49.9	0	0	0	0	109.8	E1103 E1107	E1103-T1105 PolarHBondContact O-N 2.77Å; T1105-E1107 PolarHBondContact O-N 3.35Å
1106	D	29.4	Very low	27.6	Very low	161 Å²	161	163.4 Å²	163.4	86%	0.861	87%	0.867	S	S	*	*			trans	-75.9	109.7	172.3	-77.7	-37.2	0	0	0	110.9
1107	E	25.1	Very low	27.6	Very low	186 Å²	186	161.6 Å²	161.6	87%	0.869	87%	0.867	S	S	*	*			trans	-131.9	136.7	159	-77.4	-162.9	144.2	0	0	111.3	T1105	T1105-E1107 PolarHBondContact O-N 3.35Å
1108	E	29.4	Very low	27.6	Very low	181 Å²	181	158.9 Å²	158.9	85%	0.846	87%	0.869	S	S	*	*			trans	54.9	93.9	168.2	-57.2	-160.4	143.1	0	0	119.6
1109	N	31	Very low	27.7	Very low	247 Å²	247	164.2 Å²	164.2	100%	1.321	87%	0.872	S	S	*	*				-160.8	0	111.4	-104.6	-91.8	0	0	0	112

Retrieved 1,109 of 1,109 residues in 474.8 ms (Link to these results)

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