X2JEX7_DROME Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession X2JEX7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Usp7, Length 1,125 aa.

						>X2JEX7_DROME|X2JEX7|Usp7
MEIETDQSIEAMDTQDTQEVEILTSDLQQTQQQRNSPPQLPKFKNLIQPQLHAVGAVTQLPSENGNMPPQQLLADSSSTSFGDGEAMGIDDESKEDQFRSETTFSFTVENVVQLKSQRLSPPVYVRMLPWRIMVIPNDRALGFFLQCNGENDSPTWSCNAIAELRLKCHKPDAQPFTRARIKHLFYSKENDYGYSNFITWQELKDSEKSYVHNNSITLEVHVVADAPHGVLWDSKKHTGYVGLKNQGATCYMNSLLQTLYFTNSLRLSVYRIPTEADDSSKSVGLSLQRVFHELQFGDRPVGTKKLTKSFGWETLDSFMQHDVQEFLRVLLDKLESKMKGTILEGTIPGLFEGKMSSYIKCKNVDYNSTRYETFYDIQLNIKDKKNIYESFQDYVAPETLEGDNKYDAGVHGLQEASKGVIFTSFPPVLHLHLMRFQYDPVTDSSIKYNDRFEFYEHINLDRYLAESENTLADYVLHAVLVHSGDNHGGHYVVFINPKADGRWFKFDDDVVSSCRKQEAIEQNYGGMDDEISFHAKCSNAYMLVYIRQSELDRVLGDITESEISSDLVERLDLEKRIEMARRKERGEANTYVSVHVILEENFEEQHKRRLFDLEKVHPRVFRIKQNQTVDELVDLFVRGFGVSRQRMRMWNLCTAQTQKFSHFDFVAEGSRTIEQISTSQKPWVIWLQLAWTDVPGPLPPFNPKTESLLFLKYYDPRNKRLNYIGCTQQPHTRRLIDLVPDVNSKLGFEPDTELTIYDEYADKKLVNLNEPIESALFIPQDHLQGHILIFERENVDAKLDLPTVGDYFLDLVYRIEIIFSDKCNPNEPDFTLELSNRYNYDQLANAVAERLNTDPQKLQFFMCINNYKETAGNAVPYTFKDLVSYTKQSSTKRIFYQRLSLSIHELDNKKQFKCVWVSSDLKDEKELVLYPNKNDTVKGLLEEAAKKISFAENSRRKLRLLKISNHKIVAVCKDDIPLDTLLKSNESITTAQGAQKTFRIEEVPAEDMQLAENEFLIPVAHFSKELYNSFGIPFLTKARQGEPYGALKQRIQRRLNVQDKEWENYKFCVISMGHNADVNDNTPVDLEVYRSWTSGQLPFFGLDHINKSRKRSSLNFSEKAIKIYN
					

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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	28.5	Very low	25.4	Very low	242 Å²	242	147.3 Å²	147.3	100%	1.192	78%	0.776	S	S	*	*				0	81.5	0	-80.8	178.4	-75.7	0	0	107.1
2	E	23.5	Very low	25.3	Very low	173 Å²	173	149.6 Å²	149.6	81%	0.808	78%	0.784	S	S	*	*				13.6	149.5	127.3	-96	172.2	-167.2	0	0	121.9
3	I	25.9	Very low	25.3	Very low	134 Å²	134	148.5 Å²	148.5	69%	0.687	78%	0.779	S	S	*	*			trans	82.1	135.6	148.5	-66.8	158.9	0	0	0	114.3
4	E	24.3	Very low	25.5	Very low	161 Å²	161	146.4 Å²	146.4	75%	0.752	78%	0.775	S	S	*	*			cis	-174.3	133.6	2.5	-109	174.3	176.9	0	0	105.8
5	T	26.4	Very low	25.4	Very low	118 Å²	118	148.8 Å²	148.8	72%	0.724	78%	0.781	S	S	*	*				64.8	119.7	97	58.6	0	0	0	0	120
6	D	26.3	Very low	25.4	Very low	130 Å²	130	150 Å²	150	70%	0.695	79%	0.788	S	S	*	*				87.3	133.6	128.2	-97.6	-2.8	0	0	0	125.8
7	Q	24.1	Very low	25.7	Very low	161 Å²	161	149 Å²	149	75%	0.752	79%	0.79	S	S	*	*			trans	67.6	142.5	140.5	-68.5	174.4	30.5	0	0	118
8	S	23.9	Very low	25.6	Very low	85 Å²	85	151.3 Å²	151.3	59%	0.594	80%	0.795	S	S	*	*			cis	177.1	175.3	7	47.5	0	0	0	0	107.3
9	I	25.8	Very low	25.7	Very low	142 Å²	142	152.3 Å²	152.3	73%	0.728	80%	0.795	S	S	*	*			trans	78.4	129.2	158.1	-56.4	158	0	0	0	114.1
10	E	25.3	Very low	25.6	Very low	183 Å²	183	152.2 Å²	152.2	86%	0.855	80%	0.801	S	S	*	*			cis	-159.9	155.5	19	-132.4	153.4	-152.9	0	0	109.3
11	A	25.2	Very low	25.6	Very low	91 Å²	91	153.4 Å²	153.4	75%	0.752	80%	0.803	S	S	*	*			trans	-95	149.9	170.1	0	0	0	0	0	111
12	M	23.6	Very low	25.5	Very low	175 Å²	175	148.4 Å²	148.4	86%	0.862	78%	0.779	S	S	*	*			trans	-169.8	102.9	142.2	-95.5	-170.1	81.8	0	0	107.1
13	D	25.3	Very low	25.7	Very low	135 Å²	135	148.2 Å²	148.2	72%	0.722	78%	0.783	S	S	*	*				64.3	106.8	100.9	-86.6	-18.8	0	0	0	113.9
14	T	28.5	Very low	25.8	Very low	119 Å²	119	148.1 Å²	148.1	73%	0.73	79%	0.789	S	S	*	*				51.6	105.1	78.8	75.3	0	0	0	0	113.4
15	Q	23.8	Very low	25.8	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	79%	0.786	S	S	*	*			trans	-167.3	101.9	154.6	-108.8	170.9	13.3	0	0	108.8
16	D	25.3	Very low	25.9	Very low	168 Å²	168	147.1 Å²	147.1	90%	0.898	79%	0.792	S	S	*	*			trans	-154.4	72.9	152.8	-99.7	-20.1	0	0	0	107.4
17	T	30.5	Very low	26	Very low	133 Å²	133	148.9 Å²	148.9	82%	0.816	80%	0.8	S	S	*	*			trans	-154.9	91.3	160.4	17.5	0	0	0	0	106.6
18	Q	24.8	Very low	26.1	Very low	190 Å²	190	150.2 Å²	150.2	89%	0.888	81%	0.807	S	S	*	*			trans	-173.3	118.5	155.7	-107.6	166.1	22.2	0	0	109.6
19	E	27.1	Very low	26.3	Very low	171 Å²	171	155.5 Å²	155.5	80%	0.799	82%	0.822	S	S	*	*			trans	174.9	85.2	130.1	-95.9	-175.5	-174.6	0	0	111
20	V	24.6	Very low	26.5	Very low	150 Å²	150	154.6 Å²	154.6	91%	0.909	82%	0.823	S	S	*	*	S	Bend	trans	-143.9	75.8	135	-176.1	0	0	0	0	106.4
21	E	24.5	Very low	26.5	Very low	178 Å²	178	155.1 Å²	155.1	83%	0.832	83%	0.826	S	S	*	*			trans	-161.6	80.8	164.4	-125.9	179.3	-154.1	0	0	110.6
22	I	27.4	Very low	26.5	Very low	137 Å²	137	160 Å²	160	70%	0.703	83%	0.833	S	S	*	*			trans	-140.2	90	157.9	-53.9	179.4	0	0	0	108.5
23	L	26.8	Very low	26.7	Very low	168 Å²	168	160.4 Å²	160.4	88%	0.88	83%	0.832	S	S	*	*	S	Bend	trans	-158.1	45.7	144.8	-108.8	172.4	0	0	0	110.3
24	T	27.9	Very low	26.8	Very low	133 Å²	133	165.6 Å²	165.6	82%	0.816	84%	0.842	S	S	*	*			trans	-160.5	83.4	162.7	38.7	0	0	0	0	109.7
25	S	24.6	Very low	26.7	Very low	98 Å²	98	167.5 Å²	167.5	69%	0.685	85%	0.848	S	S	*	*			trans	-150.3	61.5	166	69	0	0	0	0	111.1
26	D	29.1	Very low	26.8	Very low	160 Å²	160	164.1 Å²	164.1	86%	0.856	84%	0.844	S	S	*	*	S	Bend	trans	-142.1	78.4	158.1	-97.3	-25.4	0	0	0	107.5
27	L	28.4	Very low	27	Very low	167 Å²	167	161.8 Å²	161.8	87%	0.874	84%	0.838	S	S	*	*	S	Bend	trans	164.2	97.8	154.4	-90.9	153.3	0	0	0	108.6
28	Q	25.9	Very low	27	Very low	189 Å²	189	161.7 Å²	161.7	88%	0.883	84%	0.84	S	S	*	*			trans	147	61.4	146.6	-78.6	175.3	6.5	0	0	112.6
29	Q	28.4	Very low	27	Very low	195 Å²	195	162 Å²	162	91%	0.911	84%	0.842	S	S	*	*			trans	-87.6	81.2	141.7	-89.3	-171.1	-4.6	0	0	108.7
30	T	29.6	Very low	27	Very low	123 Å²	123	161.6 Å²	161.6	76%	0.755	84%	0.844	S	S	*	*			trans	-179	99.4	146	7	0	0	0	0	108.5
31	Q	24.8	Very low	27.4	Very low	195 Å²	195	159.4 Å²	159.4	91%	0.911	83%	0.833	S	S	*	*			trans	163.4	94.5	140.7	-91	167.9	34.5	0	0	110.9
32	Q	25.6	Very low	27.4	Very low	194 Å²	194	159 Å²	159	91%	0.907	83%	0.828	S	S	*	*			trans	-145.4	100.5	137.1	-96.7	-170	10.7	0	0	108.1
33	Q	27.5	Very low	27.3	Very low	182 Å²	182	160 Å²	160	85%	0.85	83%	0.828	S	S	*	*			trans	-174.8	109	139.3	-103.6	-178.9	21.7	0	0	108
34	R	27.4	Very low	27.3	Very low	245 Å²	245	159.6 Å²	159.6	93%	0.925	82%	0.819	S	S	*	*				171.5	119.6	128.9	-93.4	168.8	-169.8	-158	3.7	111.4
35	N	27.2	Very low	27.3	Very low	159 Å²	159	158.7 Å²	158.7	85%	0.85	81%	0.809	S	S	*	*			trans	-87.3	123.3	156.5	-90.3	-17.1	0	0	0	109.5
36	S	26	Very low	27.4	Very low	112 Å²	112	160.9 Å²	160.9	78%	0.783	81%	0.812	S	S	*	*			trans	54.3	158.5	148.9	47	0	0	0	0	121.9
37	P	28.3	Very low	27.3	Very low	119 Å²	119	160.4 Å²	160.4	77%	0.773	81%	0.808	S	S	*	*			cis	-120.1	171.9	-37.4	38.4	-24.1	0	0	0	111.8
38	P	30.7	Very low	27.1	Very low	131 Å²	131	160.6 Å²	160.6	85%	0.851	81%	0.805	S	S	*	*			trans	-99.3	124.8	178.9	34.1	-25.6	0	0	0	113.4
39	Q	25	Very low	27.5	Very low	197 Å²	197	156.3 Å²	156.3	92%	0.921	79%	0.793	S	S	*	*			trans	-106.7	127.6	153.2	-80.7	-167.7	-4.1	0	0	109.3
40	L	28.3	Very low	27.4	Very low	161 Å²	161	154.6 Å²	154.6	84%	0.843	79%	0.785	S	S	*	*			trans	-54.5	151.8	172.4	-86.8	145.6	0	0	0	112.6
41	P	31.9	Very low	27.3	Very low	104 Å²	104	154.4 Å²	154.4	68%	0.675	78%	0.779	S	S	*	*				-150.1	139.3	88.9	33.8	-13.3	0	0	0	117.7
42	K	25.1	Very low	27.3	Very low	170 Å²	170	152.7 Å²	152.7	74%	0.739	77%	0.771	S	S	*	*				57.2	127.4	126.6	-56.1	173.9	-178.9	176.2	0	118.1
43	F	25.3	Very low	27.3	Very low	159 Å²	159	147.6 Å²	147.6	70%	0.697	76%	0.761	S	S	*	*				-173	126.9	88	-111.1	-104.7	0	0	0	111.7
44	K	26.2	Very low	27.3	Very low	158 Å²	158	145.9 Å²	145.9	69%	0.687	76%	0.763	S	S	*	*			trans	54.5	136.3	136.8	-69.7	-168.9	-175.8	171.7	0	118.6
45	N	27.7	Very low	27.1	Very low	115 Å²	115	137.3 Å²	137.3	62%	0.615	75%	0.751	S	S	*	*			cis	-179.7	153.5	14.3	-118.8	-4.2	0	0	0	107.9
46	L	26.1	Very low	27	Very low	143 Å²	143	134.2 Å²	134.2	75%	0.749	75%	0.748	S	S	*	*			trans	67.4	124.3	140	-67.7	164.7	0	0	0	115.6
47	I	28.8	Very low	26.9	Very low	150 Å²	150	135.2 Å²	135.2	77%	0.769	75%	0.749	S	S	*	*			cis	-162.8	130.9	41	-67.7	-176.5	0	0	0	108.3
48	Q	24.2	Very low	26.8	Very low	172 Å²	172	136 Å²	136	80%	0.804	75%	0.751	S	S	*	*			trans	-87.5	155.2	152.1	-116.4	-178.2	14.6	0	0	107.4
49	P	34	Very low	26.6	Very low	99 Å²	99	137.8 Å²	137.8	64%	0.643	75%	0.749	S	S	*	*				-153.4	151.1	75.6	39.7	-18.2	0	0	0	115.1
50	Q	26.2	Very low	26.6	Very low	158 Å²	158	135.3 Å²	135.3	74%	0.738	74%	0.741	S	S	*	*				65.6	148.4	107.5	-63.1	-172.1	-14.3	0	0	115.4
51	L	26.6	Very low	26.7	Very low	120 Å²	120	133.7 Å²	133.7	63%	0.628	74%	0.74	S	S	*	*			cis	-175.4	171.4	1.9	-116.9	151.1	0	0	0	106.5
52	H	25.6	Very low	26.4	Very low	159 Å²	159	133.1 Å²	133.1	74%	0.736	74%	0.738	S	S	*	*			trans	88.8	96.4	152.9	-69	-54	0	0	0	121.8
53	A	25.9	Very low	26.6	Very low	86 Å²	86	133.3 Å²	133.3	71%	0.711	74%	0.742	S	S	*	*				4.8	153.2	115.9	0	0	0	0	0	122.6
54	V	26.2	Very low	26.7	Very low	146 Å²	146	133.6 Å²	133.6	89%	0.885	75%	0.751	S	S	*	*			trans	110.6	123.5	141.8	-168.9	0	0	0	0	118.4
55	G	23.7	Very low	26.7	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	75%	0.753	S	S	*	*			trans	98.6	100.5	140.3	0	0	0	0	0	116.3
56	A	24.7	Very low	26.7	Very low	95 Å²	95	131.9 Å²	131.9	79%	0.785	77%	0.766	S	S	*	*				87.6	145.6	75	0	0	0	0	0	114.6
57	V	25.1	Very low	26.7	Very low	132 Å²	132	133.1 Å²	133.1	80%	0.8	77%	0.77	S	S	*	*			trans	87.6	115.2	172.5	-162.9	0	0	0	0	113
58	T	26.3	Very low	26.7	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	77%	0.769	S	S	*	*				-167.9	156.9	61.6	-21.1	0	0	0	0	111.8
59	Q	25.3	Very low	26.9	Very low	169 Å²	169	129.2 Å²	129.2	79%	0.79	77%	0.769	S	S	*	*			trans	-78.2	143.9	-174.5	-79.1	168.4	-26.5	0	0	116.8
60	L	24.5	Very low	26.6	Very low	145 Å²	145	133.3 Å²	133.3	76%	0.759	78%	0.78	S	S	*	*			trans	75.2	146.5	138.5	-69.5	168.2	0	0	0	121.2
61	P	30.6	Very low	26.5	Very low	127 Å²	127	134.2 Å²	134.2	83%	0.825	78%	0.784	S	S	*	*			cis	-130.4	177.9	36	37.4	-17.4	0	0	0	118.1
62	S	27.3	Very low	26.4	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	79%	0.787	S	S	*	*			trans	-75.6	156.5	-164.7	46	0	0	0	0	118.1
63	E	28.4	Very low	26.4	Very low	174 Å²	174	134.8 Å²	134.8	81%	0.813	79%	0.792	S	S	*	*			trans	57.7	102.2	143.1	-70.1	180	167.9	0	0	119.8
64	N	27.6	Very low	26.3	Very low	166 Å²	166	134.9 Å²	134.9	89%	0.888	79%	0.793	S	S	*	*				-168.2	133.3	116.9	-97.6	-28	0	0	0	110.2
65	G	27	Very low	26.1	Very low	72 Å²	72	135 Å²	135	74%	0.742	79%	0.788	S	S	*	*			trans	-64.6	138.1	177.5	0	0	0	0	0	112
66	N	26.6	Very low	26.1	Very low	165 Å²	165	138 Å²	138	88%	0.882	80%	0.799	S	S	*	*			trans	-129.9	94.3	163.1	-102.8	-11.2	0	0	0	108.7
67	M	26.8	Very low	26.1	Very low	168 Å²	168	138.7 Å²	138.7	83%	0.828	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-52.5	146.2	149.1	-69.1	-104	-66	0	0	110.3
68	P	29.2	Very low	26	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.4	142.4	159.1	-7	24.3	0	0	0	110
69	P	28.2	Very low	25.9	Very low	125 Å²	125	138 Å²	138	81%	0.812	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.9	146.1	-172.5	-6.8	24.8	0	0	0	113.8
70	Q	26	Very low	25.9	Very low	185 Å²	185	134.9 Å²	134.9	86%	0.864	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.3	164.8	150.3	-83.2	172.6	-39.5	0	0	112.1
71	Q	25.8	Very low	26	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	81%	0.805	S	S	*	*			trans	101.7	135.6	166.8	-70.3	-170	-13.5	0	0	114.9
72	L	24.1	Very low	25.7	Very low	130 Å²	130	135.9 Å²	135.9	68%	0.681	80%	0.803	S	S	*	*			cis	-161.3	142.5	5.5	-92.7	145.2	0	0	0	104.7
73	L	24.5	Very low	25.6	Very low	161 Å²	161	140.2 Å²	140.2	84%	0.843	82%	0.819	S	S	*	*				44.8	140.9	83.6	-79	164.8	0	0	0	116.2
74	A	23.8	Very low	25.4	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	82%	0.816	S	S	*	*			trans	86.6	126.8	-173.5	0	0	0	0	0	113.7
75	D	22.8	Very low	25.2	Very low	147 Å²	147	136.6 Å²	136.6	79%	0.786	82%	0.816	S	S	*	*			cis	-149.1	136.2	35.1	-84.5	-45.4	0	0	0	113.7
76	S	22.8	Very low	25.3	Very low	128 Å²	128	138.1 Å²	138.1	90%	0.895	82%	0.822	S	S	*	*	S	Bend		-169.1	65.2	129.7	43.6	0	0	0	0	110
77	S	24.6	Very low	25.3	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	82%	0.821	S	S	*	*			trans	-139.4	102	158.2	59.2	0	0	0	0	108.3
78	S	24.5	Very low	25.8	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	82%	0.823	S	S	*	*			trans	-137.2	113.2	159.1	57.6	0	0	0	0	109.9
79	T	24.1	Very low	25.6	Very low	141 Å²	141	136 Å²	136	87%	0.865	82%	0.823	S	S	*	*			trans	-149.2	90.8	137.2	6	0	0	0	0	106.9
80	S	25.1	Very low	25.7	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	82%	0.817	S	S	*	*			trans	16.4	120.4	153.2	59.5	0	0	0	0	120.8
81	F	25.7	Very low	26	Very low	217 Å²	217	134 Å²	134	95%	0.952	81%	0.811	S	S	*	*			trans	-135.8	133.5	133.3	-90.2	-83.3	0	0	0	108.7
82	G	24.1	Very low	26.2	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	81%	0.81	S	S	*	*			trans	-78.6	158	-169.6	0	0	0	0	0	114.9
83	D	25.8	Very low	26.7	Very low	182 Å²	182	130.5 Å²	130.5	97%	0.973	80%	0.798	S	S	*	*			trans	-59.2	146.7	179.4	-77.8	-45	0	0	0	114.8
84	G	23.7	Very low	27.4	Very low	72 Å²	72	129.3 Å²	129.3	74%	0.742	79%	0.786	S	S	*	*			trans	179.5	83.7	167.3	0	0	0	0	0	113.3
85	E	25.3	Very low	28.2	Very low	191 Å²	191	133.3 Å²	133.3	89%	0.893	79%	0.79	S	S	*	*			trans	72.9	118	155.5	-63.9	-176.3	162.1	0	0	120.7
86	A	28.8	Very low	29.6	Very low	104 Å²	104	130.5 Å²	130.5	86%	0.86	78%	0.775	S	S	*	*			trans	-72.8	130	167.8	0	0	0	0	0	111.7
87	M	25.2	Very low	31.2	Very low	175 Å²	175	127.3 Å²	127.3	86%	0.862	75%	0.745	S	S	*	*			trans	-128.4	126.9	149.2	-71.1	-159.5	-158	0	0	108.4
88	G	37.3	Very low	32.9	Very low	84 Å²	84	125.6 Å²	125.6	87%	0.866	72%	0.724	S	S	*	*			trans	-62.8	138.3	178.3	0	0	0	0	0	111.8
89	I	26.7	Very low	35.2	Very low	147 Å²	147	123.4 Å²	123.4	75%	0.754	70%	0.699	S	S	*	*			trans	-132.7	131.3	166.9	-60.4	179.8	0	0	0	107.2
90	D	29	Very low	37.4	Very low	128 Å²	128	118.6 Å²	118.6	68%	0.684	67%	0.671	S	S	*	*			trans	-52.4	150.4	-169	-68.7	-51.7	0	0	0	116.5	E92 S93	D90-E92 PolarHBondContact O-N 3.41Å; D90-E92 VanDerWaalsContact O-N 3.15Å; D90-S93 PolarHBondContact O-N 2.66Å; D90-S93 PolarHBondContact O-OG 2.92Å
91	D	33.5	Very low	40.2	Very low	138 Å²	138	116.7 Å²	116.7	74%	0.738	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-67.3	-7.5	179.4	-135.6	1.9	0	0	0	113.8	K94	D91-K94 IonicContact OD1-NZ 3.33Å
92	E	29.8	Very low	43.1	Very low	171 Å²	171	107 Å²	107	80%	0.799	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-76.9	-18.2	175.3	-71.1	-170.2	163	0	0	113.4	D90 K94	D90-E92 PolarHBondContact O-N 3.41Å; D90-E92 VanDerWaalsContact O-N 3.15Å; E92-K94 VanDerWaalsContact C-N 3.3Å; E92-K94 PolarHBondContact O-N 2.72Å
93	S	33.3	Very low	46.1	Very low	62 Å²	62	106.4 Å²	106.4	43%	0.434	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-80.4	-3.4	-173.1	74.4	0	0	0	0	115.2	D90	D90-S93 PolarHBondContact O-N 2.66Å; D90-S93 PolarHBondContact O-OG 2.92Å
94	K	39.5	Very low	49.2	Very low	136 Å²	136	98.6 Å²	98.6	59%	0.591	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-86.9	-29.2	-179.2	-75.4	178.7	-175.4	156.3	0	113.3	D91 E92 D96 F98	D91-K94 IonicContact OD1-NZ 3.33Å; E92-K94 VanDerWaalsContact C-N 3.3Å; E92-K94 PolarHBondContact O-N 2.72Å; K94-D96 PolarHBondContact O-N 3.47Å; K94-F98 WeakPolarHBondContact O-CD2 3.05Å; K94-F98 WeakPolarHBondContact O-CE2 3.33Å
95	E	41.3	Very low	52.3	Low	174 Å²	174	98.4 Å²	98.4	81%	0.813	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-64.5	-26.1	179.8	-73.7	-168.8	153.6	0	0	112.9	Q97	E95-Q97 PolarHBondContact O-N 3.11Å
96	D	51.6	Low	55.4	Low	88 Å²	88	90.9 Å²	90.9	47%	0.471	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-83.3	-10.6	-170.6	-154.2	25.7	0	0	0	115.1	K94 R99	K94-D96 PolarHBondContact O-N 3.47Å; D96-R99 VanDerWaalsContact O-CD 3.24Å; D96-R99 WeakPolarHBondContact O-CD 3.35Å; D96-R99 PolarHBondContact O-NE 3.35Å; D96-R99 VanDerWaalsContact O-NE 3.07Å; D96-R99 WeakPolarHBondContact OD1-CD 2.91Å; D96-R99 IonicContact OD1-CZ 3Å; D96-R99 IonicContact OD1-NE 3.04Å; D96-R99 IonicContact OD1-NH1 3.63Å; D96-R99 PolarHBondContact OD1-NH1 2.69Å; D96-R99 IonicContact OD2-CZ 3.92Å; D96-R99 IonicContact OD2-NH1 3.21Å; D96-R99 PolarHBondContact OD2-NH1 3.3Å; D96-R99 IonicContact OD2-NH2 3.47Å
97	Q	56.4	Low	58.2	Low	61 Å²	61	89.2 Å²	89.2	29%	0.285	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-84	-13.1	-177.6	-58.5	-172.2	18.4	0	0	114.2	E95 Y124 M127	E95-Q97 PolarHBondContact O-N 3.11Å; Q97-Y124 HydrophobicContact CB-CG 4.43Å; Q97-Y124 HydrophobicContact CG-CD2 4.41Å; Q97-Y124 HydrophobicContact CG-CG 4.23Å; Q97-M127 HydrophobicContact CB-SD 4.14Å; Q97-M127 PolarHBondContact O-N 3.31Å
98	F	60.5	Low	61.1	Low	75 Å²	75	80.9 Å²	80.9	33%	0.329	44%	0.437	S	S	.	.	S	Bend	trans	-106.7	-4	-169.3	-57.7	-79.8	0	0	0	114.4	K94 M127 H237	K94-F98 WeakPolarHBondContact O-CD2 3.05Å; K94-F98 WeakPolarHBondContact O-CE2 3.33Å; F98-M127 HydrophobicContact CD1-CG 3.61Å; F98-M127 HydrophobicContact CD1-SD 3.69Å; F98-M127 HydrophobicContact CE1-CE 4.23Å; F98-M127 HydrophobicContact CE1-CG 3.42Å; F98-M127 VanDerWaalsContact CE1-CG 3.42Å; F98-M127 HydrophobicContact CE1-SD 3.12Å; F98-M127 WeakPolarHBondContact CE1-SD 3.31Å; F98-M127 HydrophobicContact CE2-SD 4.42Å; F98-M127 HydrophobicContact CZ-CE 4.46Å; F98-M127 HydrophobicContact CZ-CG 4.42Å; F98-M127 HydrophobicContact CZ-SD 3.55Å; F98-M127 VanDerWaalsContact CZ-SD 3.55Å; F98-H237 AromaticContact CD1-CD2 3.85Å; F98-H237 AromaticContact CD1-NE2 3.74Å; F98-H237 AromaticContact CE1-CD2 3.89Å; F98-H237 AromaticContact CE1-NE2 3.35Å; F98-H237 WeakPolarHBondContact CE1-NE2 3.33Å
99	R	71.9	Confident	63.3	Low	65 Å²	65	82.9 Å²	82.9	25%	0.245	42%	0.424	C	S	.	.			trans	-52.8	140.9	178.1	61.1	-161.9	170.4	-179.5	-4.2	111.6	D96 E101 T102 Y124 V125 R126	D96-R99 VanDerWaalsContact O-CD 3.24Å; D96-R99 WeakPolarHBondContact O-CD 3.35Å; D96-R99 PolarHBondContact O-NE 3.35Å; D96-R99 VanDerWaalsContact O-NE 3.07Å; D96-R99 WeakPolarHBondContact OD1-CD 2.91Å; D96-R99 IonicContact OD1-CZ 3Å; D96-R99 IonicContact OD1-NE 3.04Å; D96-R99 IonicContact OD1-NH1 3.63Å; D96-R99 PolarHBondContact OD1-NH1 2.69Å; D96-R99 IonicContact OD2-CZ 3.92Å; D96-R99 IonicContact OD2-NH1 3.21Å; D96-R99 PolarHBondContact OD2-NH1 3.3Å; D96-R99 IonicContact OD2-NH2 3.47Å; R99-E101 VanDerWaalsContact C-N 3.32Å; R99-E101 WeakPolarHBondContact CB-O 3.49Å; R99-E101 WeakPolarHBondContact CG-O 3.32Å; R99-T102 VanDerWaalsContact CZ-CB 3.47Å; R99-T102 PolarHBondContact NE-OG1 3.18Å; R99-T102 PolarHBondContact NH1-OG1 3.34Å; R99-T102 PolarHBondContact NH2-OG1 3.15Å; R99-Y124 PolarHBondContact NE-O 3.44Å; R99-V125 WeakPolarHBondContact O-CG1 3.08Å; R99-R126 PolarHBondContact O-N 2.91Å
100	S	71.4	Confident	65.8	Low	40 Å²	40	79.2 Å²	79.2	28%	0.28	41%	0.406	S	S	.	.	S	Bend	trans	-77.4	-24.3	174.7	56.7	0	0	0	0	112.2	V223 A224	S100-V223 CarbonylContact O-C 3.46Å; S100-V223 WeakPolarHBondContact O-CA 3.46Å; S100-A224 PolarHBondContact O-N 3.3Å
101	E	83.3	Confident	67.8	Low	64 Å²	64	73.2 Å²	73.2	30%	0.299	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.2	178.3	68.4	-171.8	172.5	0	0	110.9	R99 V222 V223 R515	R99-E101 VanDerWaalsContact C-N 3.32Å; R99-E101 WeakPolarHBondContact CB-O 3.49Å; R99-E101 WeakPolarHBondContact CG-O 3.32Å; E101-V222 CarbonylContact C-O 3.39Å; E101-V222 WeakPolarHBondContact CA-O 3.32Å; E101-V223 HydrophobicContact CB-CB 4.38Å; E101-V223 HydrophobicContact CB-CG1 4.43Å; E101-V223 HydrophobicContact CB-CG2 3.85Å; E101-R515 IonicContact OE1-CZ 3.95Å; E101-R515 IonicContact OE1-NH1 3.84Å; E101-R515 IonicContact OE1-NH2 2.67Å; E101-R515 PolarHBondContact OE1-NH2 3.12Å
102	T	85.9	Confident	69.4	Low	12 Å²	12	70.1 Å²	70.1	7%	0.074	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	158.5	171.1	-170.5	0	0	0	0	111.8	R99 F104 V123 V125 H221 V222	R99-T102 VanDerWaalsContact CZ-CB 3.47Å; R99-T102 PolarHBondContact NE-OG1 3.18Å; R99-T102 PolarHBondContact NH1-OG1 3.34Å; R99-T102 PolarHBondContact NH2-OG1 3.15Å; T102-F104 HydrophobicContact CG2-CD1 3.88Å; T102-F104 HydrophobicContact CG2-CE1 4.31Å; T102-V123 HydrophobicContact CG2-CG1 4.23Å; T102-V125 HydrophobicContact CG2-CG2 3.3Å; T102-H221 CarbonylContact O-C 3.55Å; T102-H221 WeakPolarHBondContact O-CA 3.37Å; T102-H221 PolarHBondContact O-ND1 2.92Å; T102-V222 HydrophobicContact CG2-CG1 3.73Å; T102-V222 PolarHBondContact N-O 3.17Å; T102-V222 PolarHBondContact O-N 3Å
103	T	88.2	Confident	71.4	Confident	65 Å²	65	69 Å²	69	40%	0.399	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.5	168.9	-52.8	0	0	0	0	108.7	E219 V220 H221	T103-E219 HydrophobicContact CG2-CG 3.45Å; T103-E219 VanDerWaalsContact CG2-CG 3.45Å; T103-V220 VanDerWaalsContact CA-O 3.31Å; T103-V220 WeakPolarHBondContact CA-O 3.48Å; T103-H221 HydrophobicContact CG2-CB 4.43Å; T103-H221 PolarHBondContact OG1-ND1 2.97Å
104	F	90.2	Very high	73.5	Confident	19 Å²	19	66.8 Å²	66.8	8%	0.083	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.3	177	63.4	-76.5	0	0	0	110.9	T102 V123 W130 I132 L145 E219 V220 V222	T102-F104 HydrophobicContact CG2-CD1 3.88Å; T102-F104 HydrophobicContact CG2-CE1 4.31Å; F104-V123 HydrophobicContact CB-CG1 4.34Å; F104-V123 HydrophobicContact CB-CG2 3.92Å; F104-V123 HydrophobicContact CD1-CB 4.3Å; F104-V123 HydrophobicContact CD1-CG1 4.18Å; F104-V123 HydrophobicContact CD1-CG2 4.48Å; F104-V123 HydrophobicContact CD2-CB 4.04Å; F104-V123 HydrophobicContact CD2-CG2 3.55Å; F104-V123 HydrophobicContact CE2-CB 4.24Å; F104-V123 HydrophobicContact CE2-CG2 4.11Å; F104-V123 HydrophobicContact CG-CB 4.06Å; F104-V123 HydrophobicContact CG-CG1 4.17Å; F104-V123 HydrophobicContact CG-CG2 3.75Å; F104-V123 HydrophobicContact CZ-CB 4.47Å; F104-W130 HydrophobicContact CE1-CB 4.48Å; F104-W130 HydrophobicContact CZ-CB 4.04Å; F104-I132 HydrophobicContact CD2-CD1 3.92Å; F104-I132 HydrophobicContact CD2-CG1 4.27Å; F104-I132 HydrophobicContact CE2-CD1 3.87Å; F104-I132 HydrophobicContact CE2-CG1 3.69Å; F104-I132 HydrophobicContact CZ-CG1 4.33Å; F104-L145 HydrophobicContact CZ-CD1 3.91Å; F104-E219 WeakPolarHBondContact O-CA 3.41Å; F104-V220 HydrophobicContact CE1-CB 4.19Å; F104-V220 HydrophobicContact CE1-CG1 4.27Å; F104-V220 HydrophobicContact CZ-CB 4.28Å; F104-V220 HydrophobicContact CZ-CG1 4.49Å; F104-V220 PolarHBondContact N-O 3.24Å; F104-V220 PolarHBondContact O-N 2.91Å; F104-V222 HydrophobicContact CE1-CG1 3.89Å
105	S	89.2	Confident	75.1	Confident	67 Å²	67	70.1 Å²	70.1	47%	0.469	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.5	-175.3	60.1	0	0	0	0	112.9	L218	S105-L218 CarbonylContact C-O 3.53Å; S105-L218 WeakPolarHBondContact CA-O 3.2Å; S105-L218 VanDerWaalsContact CB-O 3.25Å; S105-L218 WeakPolarHBondContact CB-O 3.42Å
106	F	90.6	Very high	76.8	Confident	34 Å²	34	65.6 Å²	65.6	15%	0.149	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.8	177.6	-179	-128.6	0	0	0	110.5	V108 R118 I132 V134 L218	F106-V108 HydrophobicContact CD1-CG2 3.71Å; F106-V108 HydrophobicContact CE1-CG2 3.6Å; F106-V108 HydrophobicContact CZ-CG2 4.44Å; F106-R118 HydrophobicContact CE1-CB 4.43Å; F106-I132 HydrophobicContact CB-CB 4.1Å; F106-I132 HydrophobicContact CB-CD1 3.74Å; F106-I132 HydrophobicContact CB-CG2 4.08Å; F106-I132 HydrophobicContact CD1-CB 4.44Å; F106-I132 HydrophobicContact CD1-CG2 3.94Å; F106-I132 HydrophobicContact CG-CG2 4.45Å; F106-V134 HydrophobicContact CD1-CG2 4.34Å; F106-V134 HydrophobicContact CE1-CG2 4.44Å; F106-L218 PolarHBondContact N-O 2.85Å; F106-L218 PolarHBondContact O-N 3.42Å
107	T	88.1	Confident	78.6	Confident	69 Å²	69	67.2 Å²	67.2	42%	0.423	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119	175.8	-53.2	0	0	0	0	109.6	I216	T107-I216 CarbonylContact C-O 3.45Å; T107-I216 VanDerWaalsContact CA-O 3.3Å; T107-I216 WeakPolarHBondContact CA-O 3.49Å
108	V	85.1	Confident	80	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.5	175.9	-174.5	0	0	0	0	108.7	F106 V111 L114 V134 S215 I216 L218	F106-V108 HydrophobicContact CD1-CG2 3.71Å; F106-V108 HydrophobicContact CE1-CG2 3.6Å; F106-V108 HydrophobicContact CZ-CG2 4.44Å; V108-V111 HydrophobicContact CB-CG2 4.04Å; V108-V111 HydrophobicContact CG1-CG2 3.99Å; V108-V111 WeakPolarHBondContact O-CG2 3.24Å; V108-L114 HydrophobicContact CG1-CD1 3.85Å; V108-V134 HydrophobicContact CG2-CG2 4.02Å; V108-S215 VanDerWaalsContact O-CA 3.24Å; V108-S215 WeakPolarHBondContact O-CA 3.04Å; V108-S215 WeakPolarHBondContact O-CB 3.38Å; V108-I216 HydrophobicContact CB-CG1 4.01Å; V108-I216 HydrophobicContact CG2-CG1 4.43Å; V108-I216 PolarHBondContact N-O 3.31Å; V108-I216 PolarHBondContact O-N 2.94Å; V108-I216 VanDerWaalsContact O-N 3.08Å; V108-L218 HydrophobicContact CG2-CD1 4.31Å
109	E	84.2	Confident	81.4	Confident	125 Å²	125	68.8 Å²	68.8	58%	0.584	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	146.3	173.9	-62.3	-178.7	179.9	0	0	112.1	R118	E109-R118 PolarHBondContact O-NH1 3.2Å
110	N	78.1	Confident	82.2	Confident	71 Å²	71	66 Å²	66	38%	0.38	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	43	177.4	-62.5	-53	0	0	0	113.9	V112 Q113 N214	N110-V112 PolarHBondContact O-N 3.18Å; N110-V112 VanDerWaalsContact O-N 3.09Å; N110-Q113 PolarHBondContact O-N 3.2Å; N110-N214 VanDerWaalsContact CA-O 3.32Å; N110-N214 WeakPolarHBondContact CA-O 3.46Å; N110-N214 PolarHBondContact N-O 3.23Å; N110-N214 PolarHBondContact OD1-ND2 3.16Å
111	V	71.9	Confident	83	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.006	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.8	-174.4	-174.5	0	0	0	0	112.9	V108 Q113 L114 L141 W200 L203 N214 I216	V108-V111 HydrophobicContact CB-CG2 4.04Å; V108-V111 HydrophobicContact CG1-CG2 3.99Å; V108-V111 WeakPolarHBondContact O-CG2 3.24Å; V111-Q113 PolarHBondContact O-N 3.2Å; V111-L114 WeakPolarHBondContact O-CB 3.32Å; V111-L114 PolarHBondContact O-N 2.92Å; V111-L141 HydrophobicContact CG1-CD1 4.5Å; V111-W200 HydrophobicContact CG1-CH2 4.44Å; V111-W200 HydrophobicContact CG1-CZ3 4.02Å; V111-L203 HydrophobicContact CG1-CD2 4.08Å; V111-N214 PolarHBondContact N-O 3.09Å; V111-I216 HydrophobicContact CG1-CD1 3.9Å; V111-I216 HydrophobicContact CG1-CG1 4.46Å; V111-I216 HydrophobicContact CG1-CG2 4.46Å; V111-I216 HydrophobicContact CG2-CB 4.11Å; V111-I216 HydrophobicContact CG2-CD1 3.95Å; V111-I216 HydrophobicContact CG2-CG1 3.6Å; V111-I216 HydrophobicContact CG2-CG2 3.88Å
112	V	67.4	Low	83.2	Confident	73 Å²	73	67.8 Å²	67.8	44%	0.442	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-68.5	-19.7	-179.4	-175	0	0	0	0	112.7	N110	N110-V112 PolarHBondContact O-N 3.18Å; N110-V112 VanDerWaalsContact O-N 3.09Å
113	Q	70.9	Confident	83.3	Confident	147 Å²	147	68.6 Å²	68.6	69%	0.687	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-108.8	11.4	179.4	-62.8	-177.6	-1.4	0	0	113	N110 V111 K115	N110-Q113 PolarHBondContact O-N 3.2Å; V111-Q113 PolarHBondContact O-N 3.2Å; Q113-K115 PolarHBondContact O-N 3.35Å; Q113-K115 VanDerWaalsContact O-N 3.12Å
114	L	76.7	Confident	83	Confident	17 Å²	17	69.8 Å²	69.8	9%	0.089	36%	0.36	C	S	.	.			trans	-66.3	110.9	-178	-153.8	86.3	0	0	0	110.2	V108 V111 R118 V134 P136 L141	V108-L114 HydrophobicContact CG1-CD1 3.85Å; V111-L114 WeakPolarHBondContact O-CB 3.32Å; V111-L114 PolarHBondContact O-N 2.92Å; L114-R118 HydrophobicContact CD1-CG 4.07Å; L114-V134 HydrophobicContact CD2-CG1 4.03Å; L114-P136 HydrophobicContact CB-CB 4.32Å; L114-P136 HydrophobicContact CB-CG 4.35Å; L114-P136 HydrophobicContact CD2-CB 4.06Å; L114-P136 HydrophobicContact CD2-CG 3.87Å; L114-P136 HydrophobicContact CG-CG 4.16Å; L114-P136 WeakPolarHBondContact O-CB 3.09Å; L114-P136 WeakPolarHBondContact O-CG 3.3Å; L114-L141 HydrophobicContact CD2-CD1 4.45Å
115	K	73.3	Confident	82.5	Confident	206 Å²	206	68.9 Å²	68.9	90%	0.896	36%	0.356	S	S	*	.			trans	-103.6	-16.1	179.5	-68.3	-174.4	-179	-178.3	0	114.2	Q113	Q113-K115 PolarHBondContact O-N 3.35Å; Q113-K115 VanDerWaalsContact O-N 3.12Å
116	S	78.6	Confident	82	Confident	78 Å²	78	67 Å²	67	55%	0.545	34%	0.339	S	S	.	.	S	Bend	trans	-138.7	161.8	-174.8	63.6	0	0	0	0	110.6
117	Q	87.8	Confident	81.3	Confident	122 Å²	122	69.4 Å²	69.4	57%	0.57	35%	0.351	S	S	*	.			trans	-57.8	146.7	175.3	68.7	-175.2	5.8	0	0	112.1	V134 I135	Q117-V134 WeakPolarHBondContact CA-O 3.07Å; Q117-I135 HydrophobicContact CB-CG1 4.23Å
118	R	87.4	Confident	81	Confident	100 Å²	100	66.3 Å²	66.3	38%	0.377	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.8	170.5	-72.1	-163.4	-178.8	165.5	3.3	110.7	F106 E109 L114 V134	F106-R118 HydrophobicContact CE1-CB 4.43Å; E109-R118 PolarHBondContact O-NH1 3.2Å; L114-R118 HydrophobicContact CD1-CG 4.07Å; R118-V134 PolarHBondContact N-O 3.23Å; R118-V134 PolarHBondContact O-N 2.95Å
119	L	88.8	Confident	81.1	Confident	69 Å²	69	67.1 Å²	67.1	36%	0.361	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.8	177.3	-72.5	160.6	0	0	0	109.4	R131 I132 M133	L119-R131 HydrophobicContact CD2-CB 4.18Å; L119-I132 CarbonylContact C-O 3.59Å; L119-I132 WeakPolarHBondContact CA-O 3.39Å; L119-M133 HydrophobicContact CD2-CB 3.59Å; L119-M133 HydrophobicContact CD2-CG 3.77Å; L119-M133 HydrophobicContact CD2-SD 4.12Å
120	S	90.3	Very high	81.4	Confident	7 Å²	7	61.1 Å²	61.1	5%	0.049	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-72.8	162.5	168.6	75.8	0	0	0	0	111.3	R131 I132	S120-R131 WeakPolarHBondContact O-CG 3.24Å; S120-I132 PolarHBondContact N-O 3.04Å; S120-I132 PolarHBondContact OG-N 3.08Å
121	P	87.6	Confident	82.1	Confident	95 Å²	95	59.7 Å²	59.7	62%	0.617	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-51.9	146.9	161.1	-24.1	34.8	0	0	0	111.1
122	P	86.9	Confident	83.1	Confident	47 Å²	47	59.7 Å²	59.7	31%	0.305	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-67.9	135	177.9	28.2	-32.8	0	0	0	111	Y124 P129 W130 R131	P122-Y124 HydrophobicContact CB-CE2 4.49Å; P122-P129 HydrophobicContact CB-CB 3.81Å; P122-W130 WeakPolarHBondContact CA-O 3.43Å; P122-R131 HydrophobicContact CB-CG 4.23Å
123	V	88.2	Confident	84.2	Confident	28 Å²	28	56.6 Å²	56.6	17%	0.17	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.2	169.3	177.4	0	0	0	0	108	T102 F104 W130	T102-V123 HydrophobicContact CG2-CG1 4.23Å; F104-V123 HydrophobicContact CB-CG1 4.34Å; F104-V123 HydrophobicContact CB-CG2 3.92Å; F104-V123 HydrophobicContact CD1-CB 4.3Å; F104-V123 HydrophobicContact CD1-CG1 4.18Å; F104-V123 HydrophobicContact CD1-CG2 4.48Å; F104-V123 HydrophobicContact CD2-CB 4.04Å; F104-V123 HydrophobicContact CD2-CG2 3.55Å; F104-V123 HydrophobicContact CE2-CB 4.24Å; F104-V123 HydrophobicContact CE2-CG2 4.11Å; F104-V123 HydrophobicContact CG-CB 4.06Å; F104-V123 HydrophobicContact CG-CG1 4.17Å; F104-V123 HydrophobicContact CG-CG2 3.75Å; F104-V123 HydrophobicContact CZ-CB 4.47Å; V123-W130 PolarHBondContact N-O 3.03Å; V123-W130 WeakPolarHBondContact O-CB 3.4Å; V123-W130 PolarHBondContact O-N 2.92Å
124	Y	81.9	Confident	85	Confident	90 Å²	90	49.6 Å²	49.6	35%	0.353	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.3	-176.3	-66.6	-93.3	0	0	0	111.2	Q97 R99 P122 L128 P129	Q97-Y124 HydrophobicContact CB-CG 4.43Å; Q97-Y124 HydrophobicContact CG-CD2 4.41Å; Q97-Y124 HydrophobicContact CG-CG 4.23Å; R99-Y124 PolarHBondContact NE-O 3.44Å; P122-Y124 HydrophobicContact CB-CE2 4.49Å; Y124-L128 WeakPolarHBondContact CA-O 3.25Å; Y124-P129 HydrophobicContact CD1-CB 4.41Å; Y124-P129 HydrophobicContact CE1-CB 4Å
125	V	80.6	Confident	85.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.4	174.2	-171.8	0	0	0	0	106.5	R99 T102 M127 L128 W130 V222 A224	R99-V125 WeakPolarHBondContact O-CG1 3.08Å; T102-V125 HydrophobicContact CG2-CG2 3.3Å; V125-M127 PolarHBondContact O-N 3.04Å; V125-L128 PolarHBondContact N-O 2.84Å; V125-L128 VanDerWaalsContact N-O 3.11Å; V125-L128 PolarHBondContact O-N 3.23Å; V125-W130 HydrophobicContact CB-CG 4.44Å; V125-W130 HydrophobicContact CG2-CG 4.31Å; V125-W130 PolarHBondContact O-NE1 2.95Å; V125-V222 HydrophobicContact CG2-CG1 3.92Å; V125-A224 HydrophobicContact CG1-CB 3.93Å
126	R	78.5	Confident	86.1	Confident	29 Å²	29	43.1 Å²	43.1	11%	0.109	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	39.6	-170.9	-58.8	-66.5	-163.2	178.3	4.9	113	R99 L128 A224	R99-R126 PolarHBondContact O-N 2.91Å; R126-L128 PolarHBondContact O-N 2.75Å; R126-L128 VanDerWaalsContact O-N 3.11Å; R126-A224 HydrophobicContact CG-CB 4.16Å; R126-A224 WeakPolarHBondContact CG-O 3.34Å; R126-A224 PolarHBondContact NE-O 3.33Å
127	M	74.3	Confident	86.1	Confident	83 Å²	83	43 Å²	43	41%	0.409	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	6.6	-178.5	-66.5	-64.6	-69.7	0	0	116.5	Q97 F98 V125	Q97-M127 HydrophobicContact CB-SD 4.14Å; Q97-M127 PolarHBondContact O-N 3.31Å; F98-M127 HydrophobicContact CD1-CG 3.61Å; F98-M127 HydrophobicContact CD1-SD 3.69Å; F98-M127 HydrophobicContact CE1-CE 4.23Å; F98-M127 HydrophobicContact CE1-CG 3.42Å; F98-M127 VanDerWaalsContact CE1-CG 3.42Å; F98-M127 HydrophobicContact CE1-SD 3.12Å; F98-M127 WeakPolarHBondContact CE1-SD 3.31Å; F98-M127 HydrophobicContact CE2-SD 4.42Å; F98-M127 HydrophobicContact CZ-CE 4.46Å; F98-M127 HydrophobicContact CZ-CG 4.42Å; F98-M127 HydrophobicContact CZ-SD 3.55Å; F98-M127 VanDerWaalsContact CZ-SD 3.55Å; V125-M127 PolarHBondContact O-N 3.04Å
128	L	82.9	Confident	85.5	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.2	171.5	-67.1	-175.4	0	0	0	110.4	Y124 V125 R126 N148 W156 C158 P227 V230	Y124-L128 WeakPolarHBondContact CA-O 3.25Å; V125-L128 PolarHBondContact N-O 2.84Å; V125-L128 VanDerWaalsContact N-O 3.11Å; V125-L128 PolarHBondContact O-N 3.23Å; R126-L128 PolarHBondContact O-N 2.75Å; R126-L128 VanDerWaalsContact O-N 3.11Å; L128-N148 HydrophobicContact CD2-CB 4.04Å; L128-W156 HydrophobicContact CD1-CE3 4.23Å; L128-W156 HydrophobicContact CD1-CZ3 4.2Å; L128-C158 HydrophobicContact CD1-CB 3.49Å; L128-C158 VanDerWaalsContact CD1-CB 3.49Å; L128-P227 HydrophobicContact CD1-CB 3.74Å; L128-P227 HydrophobicContact CD1-CG 4.31Å; L128-P227 HydrophobicContact CG-CB 4.23Å; L128-P227 HydrophobicContact CG-CG 4.3Å; L128-V230 HydrophobicContact CD2-CG1 4.39Å; L128-V230 HydrophobicContact CD2-CG2 4.15Å
129	P	87.8	Confident	85.2	Confident	17 Å²	17	50.1 Å²	50.1	11%	0.11	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.1	175.1	30.3	-30.8	0	0	0	110.3	P122 Y124 N148	P122-P129 HydrophobicContact CB-CB 3.81Å; Y124-P129 HydrophobicContact CD1-CB 4.41Å; Y124-P129 HydrophobicContact CE1-CB 4Å; P129-N148 PolarHBondContact O-N 2.75Å
130	W	90.6	Very high	85	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.1	176.1	-63.3	78.4	0	0	0	110.8	F104 P122 V123 V125 L145 Q146 C147 A160 F185 V222 A224	F104-W130 HydrophobicContact CE1-CB 4.48Å; F104-W130 HydrophobicContact CZ-CB 4.04Å; P122-W130 WeakPolarHBondContact CA-O 3.43Å; V123-W130 PolarHBondContact N-O 3.03Å; V123-W130 WeakPolarHBondContact O-CB 3.4Å; V123-W130 PolarHBondContact O-N 2.92Å; V125-W130 HydrophobicContact CB-CG 4.44Å; V125-W130 HydrophobicContact CG2-CG 4.31Å; V125-W130 PolarHBondContact O-NE1 2.95Å; W130-L145 HydrophobicContact CB-CD1 4.48Å; W130-L145 HydrophobicContact CE3-CD1 3.92Å; W130-L145 HydrophobicContact CE3-CD2 3.61Å; W130-L145 HydrophobicContact CE3-CG 3.68Å; W130-L145 HydrophobicContact CZ3-CD2 3.63Å; W130-L145 HydrophobicContact CZ3-CG 4Å; W130-Q146 CarbonylContact C-O 3.54Å; W130-Q146 VanDerWaalsContact CA-O 3.3Å; W130-Q146 WeakPolarHBondContact CA-O 3.41Å; W130-C147 HydrophobicContact CD2-CB 4Å; W130-C147 VanDerWaalsContact CE2-SG 3.51Å; W130-C147 HydrophobicContact CE3-CB 3.73Å; W130-C147 HydrophobicContact CH2-CB 3.78Å; W130-C147 HydrophobicContact CZ2-CB 4.06Å; W130-C147 WeakPolarHBondContact CZ2-SG 3.37Å; W130-C147 HydrophobicContact CZ3-CB 3.63Å; W130-A160 HydrophobicContact CH2-CB 3.29Å; W130-A160 HydrophobicContact CZ2-CB 4.02Å; W130-A160 HydrophobicContact CZ3-CB 4Å; W130-F185 AromaticContact CH2-CD2 3.71Å; W130-F185 HydrophobicContact CH2-CD2 3.71Å; W130-F185 AromaticContact CH2-CE2 3.84Å; W130-F185 HydrophobicContact CH2-CE2 3.84Å; W130-F185 HydrophobicContact CH2-CG 4.29Å; W130-F185 AromaticContact CZ3-CD2 3.93Å; W130-F185 HydrophobicContact CZ3-CD2 3.93Å; W130-F185 HydrophobicContact CZ3-CE1 4.38Å; W130-F185 AromaticContact CZ3-CE2 3.68Å; W130-F185 HydrophobicContact CZ3-CE2 3.68Å; W130-F185 HydrophobicContact CZ3-CG 4.39Å; W130-F185 AromaticContact CZ3-CZ 3.92Å; W130-F185 HydrophobicContact CZ3-CZ 3.92Å; W130-V222 HydrophobicContact CD2-CG2 4.36Å; W130-V222 HydrophobicContact CE3-CG2 4.03Å; W130-V222 HydrophobicContact CH2-CG2 4.19Å; W130-V222 HydrophobicContact CZ2-CG2 4.48Å; W130-V222 HydrophobicContact CZ3-CG2 3.93Å; W130-A224 HydrophobicContact CH2-CB 4.4Å; W130-A224 HydrophobicContact CZ2-CB 3.71Å
131	R	92.8	Very high	84.8	Confident	41 Å²	41	46.6 Å²	46.6	16%	0.155	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.5	-178.6	-66.2	179	179	141.5	0.9	111.4	L119 S120 P122 Q146 E150	L119-R131 HydrophobicContact CD2-CB 4.18Å; S120-R131 WeakPolarHBondContact O-CG 3.24Å; P122-R131 HydrophobicContact CB-CG 4.23Å; R131-Q146 HydrophobicContact CB-CB 4.46Å; R131-Q146 PolarHBondContact N-O 3.47Å; R131-Q146 PolarHBondContact O-N 3Å; R131-E150 IonicContact CZ-OE1 2.73Å; R131-E150 IonicContact NH1-OE1 2.69Å; R131-E150 PolarHBondContact NH1-OE1 2.82Å; R131-E150 IonicContact NH2-OE1 3.27Å; R131-E150 PolarHBondContact NH2-OE1 3.33Å
132	I	91.9	Very high	84.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.3	165.9	-72.1	165.5	0	0	0	107.8	F104 F106 L119 S120 V134 F143 L218 V220	F104-I132 HydrophobicContact CD2-CD1 3.92Å; F104-I132 HydrophobicContact CD2-CG1 4.27Å; F104-I132 HydrophobicContact CE2-CD1 3.87Å; F104-I132 HydrophobicContact CE2-CG1 3.69Å; F104-I132 HydrophobicContact CZ-CG1 4.33Å; F106-I132 HydrophobicContact CB-CB 4.1Å; F106-I132 HydrophobicContact CB-CD1 3.74Å; F106-I132 HydrophobicContact CB-CG2 4.08Å; F106-I132 HydrophobicContact CD1-CB 4.44Å; F106-I132 HydrophobicContact CD1-CG2 3.94Å; F106-I132 HydrophobicContact CG-CG2 4.45Å; L119-I132 CarbonylContact C-O 3.59Å; L119-I132 WeakPolarHBondContact CA-O 3.39Å; S120-I132 PolarHBondContact N-O 3.04Å; S120-I132 PolarHBondContact OG-N 3.08Å; I132-V134 HydrophobicContact CG2-CG2 3.98Å; I132-F143 HydrophobicContact CB-CE2 4.3Å; I132-F143 HydrophobicContact CG1-CE2 4.12Å; I132-F143 HydrophobicContact CG2-CD2 4.02Å; I132-F143 HydrophobicContact CG2-CE2 3.46Å; I132-F143 VanDerWaalsContact CG2-CE2 3.46Å; I132-F143 HydrophobicContact CG2-CZ 4.37Å; I132-L218 HydrophobicContact CG2-CB 4.42Å; I132-L218 HydrophobicContact CG2-CD1 4.19Å; I132-V220 HydrophobicContact CD1-CB 4.31Å; I132-V220 HydrophobicContact CD1-CG2 3.84Å; I132-V220 HydrophobicContact CG1-CB 4.29Å; I132-V220 HydrophobicContact CG1-CG2 3.57Å
133	M	90.1	Very high	85	Confident	9 Å²	9	39.9 Å²	39.9	4%	0.044	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.6	176.9	-177.4	170.1	66.4	0	0	110.2	L119 I135 F144 D191	L119-M133 HydrophobicContact CD2-CB 3.59Å; L119-M133 HydrophobicContact CD2-CG 3.77Å; L119-M133 HydrophobicContact CD2-SD 4.12Å; M133-I135 HydrophobicContact CE-CD1 3.89Å; M133-I135 HydrophobicContact CG-CD1 4.32Å; M133-I135 HydrophobicContact CG-CG1 4.09Å; M133-I135 HydrophobicContact SD-CD1 4.12Å; M133-I135 HydrophobicContact SD-CG1 4.48Å; M133-F144 HydrophobicContact CB-CB 4.1Å; M133-F144 HydrophobicContact CE-CB 3.63Å; M133-F144 HydrophobicContact CE-CD2 4.26Å; M133-F144 HydrophobicContact CE-CG 3.95Å; M133-F144 PolarHBondContact N-O 3.26Å; M133-F144 PolarHBondContact O-N 2.67Å; M133-D191 HydrophobicContact CE-CB 3.63Å; M133-D191 VanDerWaalsContact CE-OD2 3.29Å; M133-D191 WeakPolarHBondContact CE-OD2 3.44Å
134	V	89.2	Confident	85.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.8	-178.3	-173.4	0	0	0	0	108.9	F106 V108 L114 Q117 R118 I132 L141 G142 L218	F106-V134 HydrophobicContact CD1-CG2 4.34Å; F106-V134 HydrophobicContact CE1-CG2 4.44Å; V108-V134 HydrophobicContact CG2-CG2 4.02Å; L114-V134 HydrophobicContact CD2-CG1 4.03Å; Q117-V134 WeakPolarHBondContact CA-O 3.07Å; R118-V134 PolarHBondContact N-O 3.23Å; R118-V134 PolarHBondContact O-N 2.95Å; I132-V134 HydrophobicContact CG2-CG2 3.98Å; V134-L141 HydrophobicContact CG1-CD1 3.62Å; V134-L141 HydrophobicContact CG1-CD2 4.32Å; V134-L141 HydrophobicContact CG1-CG 4.07Å; V134-G142 WeakPolarHBondContact CA-O 3.38Å; V134-L218 HydrophobicContact CB-CD1 4.5Å; V134-L218 HydrophobicContact CG1-CD1 4.43Å; V134-L218 HydrophobicContact CG2-CD1 3.28Å
135	I	88.2	Confident	85.6	Confident	57 Å²	57	35.5 Å²	35.5	29%	0.292	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.6	-176.7	-55.5	-179.3	0	0	0	108.8	Q117 M133 G142 F144	Q117-I135 HydrophobicContact CB-CG1 4.23Å; M133-I135 HydrophobicContact CE-CD1 3.89Å; M133-I135 HydrophobicContact CG-CD1 4.32Å; M133-I135 HydrophobicContact CG-CG1 4.09Å; M133-I135 HydrophobicContact SD-CD1 4.12Å; M133-I135 HydrophobicContact SD-CG1 4.48Å; I135-G142 PolarHBondContact N-O 2.73Å; I135-G142 VanDerWaalsContact O-CA 3.29Å; I135-G142 WeakPolarHBondContact O-CA 3.18Å; I135-G142 PolarHBondContact O-N 3.48Å; I135-F144 HydrophobicContact CB-CE2 4.33Å; I135-F144 HydrophobicContact CD1-CD2 3.99Å; I135-F144 HydrophobicContact CD1-CE2 3.91Å; I135-F144 HydrophobicContact CG1-CD2 4.22Å; I135-F144 HydrophobicContact CG1-CE2 4.27Å
136	P	82.8	Confident	86.1	Confident	30 Å²	30	36.7 Å²	36.7	20%	0.195	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.5	174.4	29.1	-28.7	0	0	0	110.4	L114 W200	L114-P136 HydrophobicContact CB-CB 4.32Å; L114-P136 HydrophobicContact CB-CG 4.35Å; L114-P136 HydrophobicContact CD2-CB 4.06Å; L114-P136 HydrophobicContact CD2-CG 3.87Å; L114-P136 HydrophobicContact CG-CG 4.16Å; L114-P136 WeakPolarHBondContact O-CB 3.09Å; L114-P136 WeakPolarHBondContact O-CG 3.3Å; P136-W200 HydrophobicContact CB-CZ2 4.13Å
137	N	79.9	Confident	86.7	Confident	75 Å²	75	35.3 Å²	35.3	40%	0.401	17%	0.168	S	C	.	.			trans	-116.9	163.4	172.4	-165.7	0.3	0	0	0	109.9	R139 A140 W200	N137-R139 PolarHBondContact O-N 3.4Å; N137-R139 VanDerWaalsContact O-N 3.09Å; N137-A140 WeakPolarHBondContact CA-O 3.45Å; N137-A140 WeakPolarHBondContact CB-O 3.32Å; N137-A140 PolarHBondContact N-O 3.07Å; N137-W200 PolarHBondContact O-NE1 2.8Å
138	D	75.9	Confident	87.2	Confident	158 Å²	158	32.1 Å²	32.1	85%	0.845	15%	0.153	S	C	*	.	S	Bend	trans	-58.9	-28.5	-175.7	-71.2	-23.4	0	0	0	113.2
139	R	79.8	Confident	87	Confident	213 Å²	213	33 Å²	33	80%	0.804	16%	0.164	S	C	*	.	S	Bend	trans	-115.7	-19.3	-174.2	-60.8	-174.8	-175.1	-176	1.9	114.8	N137 W200	N137-R139 PolarHBondContact O-N 3.4Å; N137-R139 VanDerWaalsContact O-N 3.09Å; R139-W200 PolarHBondContact O-N 3.02Å
140	A	85.4	Confident	86.6	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	167.1	-173.5	0	0	0	0	0	112.6	N137 N196 I198 W200	N137-A140 WeakPolarHBondContact CA-O 3.45Å; N137-A140 WeakPolarHBondContact CB-O 3.32Å; N137-A140 PolarHBondContact N-O 3.07Å; A140-N196 HydrophobicContact CB-CB 4.01Å; A140-I198 WeakPolarHBondContact CA-O 3.35Å; A140-I198 WeakPolarHBondContact CB-O 3.33Å; A140-W200 PolarHBondContact O-NE1 2.91Å
141	L	84.9	Confident	85.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.1	168.6	-171.6	75.1	0	0	0	109.7	V111 L114 V134 F197 I198 W200 L203 I216	V111-L141 HydrophobicContact CG1-CD1 4.5Å; L114-L141 HydrophobicContact CD2-CD1 4.45Å; V134-L141 HydrophobicContact CG1-CD1 3.62Å; V134-L141 HydrophobicContact CG1-CD2 4.32Å; V134-L141 HydrophobicContact CG1-CG 4.07Å; L141-F197 WeakPolarHBondContact O-CB 3.31Å; L141-F197 PolarHBondContact O-N 3.48Å; L141-I198 HydrophobicContact CB-CG2 4.1Å; L141-I198 HydrophobicContact CD2-CG2 4.47Å; L141-I198 PolarHBondContact N-O 3.01Å; L141-W200 HydrophobicContact CB-CH2 4.39Å; L141-W200 HydrophobicContact CD1-CH2 3.71Å; L141-W200 HydrophobicContact CD1-CZ2 4.3Å; L141-W200 HydrophobicContact CD1-CZ3 4.33Å; L141-L203 HydrophobicContact CD2-CD2 4.4Å; L141-I216 HydrophobicContact CD2-CD1 3.47Å; L141-I216 VanDerWaalsContact CD2-CD1 3.47Å
142	G	88.5	Confident	85	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.7	171	0	0	0	0	0	111.6	V134 I135 Y194 S195	V134-G142 WeakPolarHBondContact CA-O 3.38Å; I135-G142 PolarHBondContact N-O 2.73Å; I135-G142 VanDerWaalsContact O-CA 3.29Å; I135-G142 WeakPolarHBondContact O-CA 3.18Å; I135-G142 PolarHBondContact O-N 3.48Å; G142-Y194 CarbonylContact C-O 3.58Å; G142-Y194 VanDerWaalsContact CA-O 3.24Å; G142-Y194 WeakPolarHBondContact CA-O 3.45Å; G142-S195 WeakPolarHBondContact CA-O 3.37Å
143	F	91.1	Very high	84	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	116.7	-179	-177.7	-165.4	0	0	0	109.4	I132 L164 Y194 F197 L218 V220	I132-F143 HydrophobicContact CB-CE2 4.3Å; I132-F143 HydrophobicContact CG1-CE2 4.12Å; I132-F143 HydrophobicContact CG2-CD2 4.02Å; I132-F143 HydrophobicContact CG2-CE2 3.46Å; I132-F143 VanDerWaalsContact CG2-CE2 3.46Å; I132-F143 HydrophobicContact CG2-CZ 4.37Å; F143-L164 HydrophobicContact CB-CD2 4.39Å; F143-L164 HydrophobicContact CD1-CB 3.88Å; F143-L164 HydrophobicContact CD1-CD2 3.9Å; F143-L164 HydrophobicContact CD1-CG 4.16Å; F143-L164 HydrophobicContact CD2-CD2 3.95Å; F143-L164 HydrophobicContact CD2-CG 4.5Å; F143-L164 HydrophobicContact CE1-CB 3.57Å; F143-L164 HydrophobicContact CE1-CD2 4.13Å; F143-L164 HydrophobicContact CE1-CG 3.89Å; F143-L164 HydrophobicContact CE2-CD2 4.11Å; F143-L164 HydrophobicContact CE2-CG 4.18Å; F143-L164 HydrophobicContact CG-CD2 3.82Å; F143-L164 HydrophobicContact CG-CG 4.47Å; F143-L164 HydrophobicContact CZ-CB 4.04Å; F143-L164 HydrophobicContact CZ-CD2 4.22Å; F143-L164 HydrophobicContact CZ-CG 3.9Å; F143-L164 WeakPolarHBondContact O-CD2 3.48Å; F143-Y194 PolarHBondContact N-O 2.85Å; F143-Y194 PolarHBondContact O-N 2.93Å; F143-F197 HydrophobicContact CB-CB 3.85Å; F143-F197 HydrophobicContact CB-CD1 4.23Å; F143-F197 HydrophobicContact CB-CD2 4.28Å; F143-F197 HydrophobicContact CB-CG 3.86Å; F143-F197 AromaticContact CD1-CD1 3.95Å; F143-F197 HydrophobicContact CD1-CD1 3.95Å; F143-F197 HydrophobicContact CD1-CD2 4.12Å; F143-F197 AromaticContact CD1-CE1 3.85Å; F143-F197 HydrophobicContact CD1-CE1 3.85Å; F143-F197 HydrophobicContact CD1-CE2 4.02Å; F143-F197 HydrophobicContact CD1-CG 4.08Å; F143-F197 AromaticContact CD1-CZ 3.89Å; F143-F197 HydrophobicContact CD1-CZ 3.89Å; F143-F197 HydrophobicContact CE1-CE1 4.49Å; F143-F197 HydrophobicContact CE1-CZ 4.33Å; F143-L218 HydrophobicContact CD1-CD2 3.85Å; F143-L218 HydrophobicContact CD2-CD1 4.1Å; F143-L218 HydrophobicContact CE1-CB 4.07Å; F143-L218 HydrophobicContact CE1-CD2 3.82Å; F143-L218 HydrophobicContact CE1-CG 4.37Å; F143-L218 HydrophobicContact CE2-CB 4.2Å; F143-L218 HydrophobicContact CE2-CD1 4.23Å; F143-L218 HydrophobicContact CG-CD1 4.29Å; F143-L218 HydrophobicContact CG-CD2 4.36Å; F143-L218 HydrophobicContact CZ-CB 3.77Å; F143-L218 HydrophobicContact CZ-CD1 4.45Å; F143-L218 HydrophobicContact CZ-CD2 4.34Å; F143-L218 HydrophobicContact CZ-CG 4.41Å; F143-V220 HydrophobicContact CE2-CG2 3.77Å; F143-V220 HydrophobicContact CZ-CG2 3.49Å; F143-V220 VanDerWaalsContact CZ-CG2 3.49Å
144	F	90.9	Very high	83	Confident	26 Å²	26	52.3 Å²	52.3	11%	0.114	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.2	-174.6	-58.6	-98.1	0	0	0	110.7	M133 I135	M133-F144 HydrophobicContact CB-CB 4.1Å; M133-F144 HydrophobicContact CE-CB 3.63Å; M133-F144 HydrophobicContact CE-CD2 4.26Å; M133-F144 HydrophobicContact CE-CG 3.95Å; M133-F144 PolarHBondContact N-O 3.26Å; M133-F144 PolarHBondContact O-N 2.67Å; I135-F144 HydrophobicContact CB-CE2 4.33Å; I135-F144 HydrophobicContact CD1-CD2 3.99Å; I135-F144 HydrophobicContact CD1-CE2 3.91Å; I135-F144 HydrophobicContact CG1-CD2 4.22Å; I135-F144 HydrophobicContact CG1-CE2 4.27Å
145	L	92.1	Very high	82.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126	169	-179.8	62	0	0	0	107.6	F104 W130 A162 I181 F185 D191 Y192 V220 V222	F104-L145 HydrophobicContact CZ-CD1 3.91Å; W130-L145 HydrophobicContact CB-CD1 4.48Å; W130-L145 HydrophobicContact CE3-CD1 3.92Å; W130-L145 HydrophobicContact CE3-CD2 3.61Å; W130-L145 HydrophobicContact CE3-CG 3.68Å; W130-L145 HydrophobicContact CZ3-CD2 3.63Å; W130-L145 HydrophobicContact CZ3-CG 4Å; L145-A162 HydrophobicContact CD2-CB 3.39Å; L145-I181 HydrophobicContact CB-CD1 4.1Å; L145-I181 HydrophobicContact CD2-CD1 4.44Å; L145-F185 HydrophobicContact CD2-CZ 4.41Å; L145-F185 WeakPolarHBondContact O-CE1 3.44Å; L145-D191 CarbonylContact O-C 3.04Å; L145-D191 VanDerWaalsContact O-CA 3.3Å; L145-D191 WeakPolarHBondContact O-CA 3.2Å; L145-Y192 PolarHBondContact N-O 2.96Å; L145-Y192 PolarHBondContact O-N 2.55Å; L145-V220 HydrophobicContact CD1-CG1 4.04Å; L145-V220 HydrophobicContact CD2-CG1 4.01Å; L145-V222 HydrophobicContact CD2-CB 4.35Å; L145-V222 HydrophobicContact CD2-CG2 4.06Å
146	Q	91.2	Very high	81.9	Confident	24 Å²	24	54 Å²	54	11%	0.112	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138	175.4	-177.4	178.9	66.9	0	0	109.9	W130 R131 N190 D191	W130-Q146 CarbonylContact C-O 3.54Å; W130-Q146 VanDerWaalsContact CA-O 3.3Å; W130-Q146 WeakPolarHBondContact CA-O 3.41Å; R131-Q146 HydrophobicContact CB-CB 4.46Å; R131-Q146 PolarHBondContact N-O 3.47Å; R131-Q146 PolarHBondContact O-N 3Å; Q146-N190 CarbonylContact C-O 3.55Å; Q146-N190 WeakPolarHBondContact CA-O 3.18Å; Q146-N190 PolarHBondContact NE2-OD1 2.81Å; Q146-D191 HydrophobicContact CB-CB 4.06Å; Q146-D191 HydrophobicContact CG-CB 4.23Å
147	C	90.2	Very high	81.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.8	176	-178.1	0	0	0	0	109.9	W130 G149 W156 F185 N190	W130-C147 HydrophobicContact CD2-CB 4Å; W130-C147 VanDerWaalsContact CE2-SG 3.51Å; W130-C147 HydrophobicContact CE3-CB 3.73Å; W130-C147 HydrophobicContact CH2-CB 3.78Å; W130-C147 HydrophobicContact CZ2-CB 4.06Å; W130-C147 WeakPolarHBondContact CZ2-SG 3.37Å; W130-C147 HydrophobicContact CZ3-CB 3.63Å; C147-G149 PolarHBondContact O-N 3.4Å; C147-G149 VanDerWaalsContact O-N 3.09Å; C147-W156 VanDerWaalsContact O-CH2 3.28Å; C147-W156 WeakPolarHBondContact O-CH2 3.45Å; C147-F185 HydrophobicContact CB-CB 3.82Å; C147-F185 HydrophobicContact CB-CD1 3.66Å; C147-F185 HydrophobicContact CB-CD2 4.43Å; C147-F185 HydrophobicContact CB-CE1 4.34Å; C147-F185 HydrophobicContact CB-CG 3.7Å; C147-N190 PolarHBondContact N-O 2.94Å; C147-N190 WeakPolarHBondContact O-CB 3.2Å
148	N	85.9	Confident	82.2	Confident	16 Å²	16	50.4 Å²	50.4	9%	0.086	27%	0.268	C	S	.	.	S	Bend	trans	51.6	36.4	172.2	-161.7	34.3	0	0	0	115.1	L128 P129 E150 N151 W156	L128-N148 HydrophobicContact CD2-CB 4.04Å; P129-N148 PolarHBondContact O-N 2.75Å; N148-E150 PolarHBondContact O-N 3.1Å; N148-N151 WeakPolarHBondContact ND2-CB 3.28Å; N148-N151 PolarHBondContact O-N 2.98Å; N148-N151 VanDerWaalsContact O-N 3.1Å; N148-W156 HydrophobicContact CB-CD2 4.48Å; N148-W156 HydrophobicContact CB-CE3 4.37Å; N148-W156 HydrophobicContact CB-CH2 3.62Å; N148-W156 HydrophobicContact CB-CZ2 3.68Å; N148-W156 HydrophobicContact CB-CZ3 3.96Å; N148-W156 VanDerWaalsContact ND2-CD2 3.35Å; N148-W156 VanDerWaalsContact ND2-CE2 3.26Å; N148-W156 PolarHBondContact ND2-NE1 3.45Å
149	G	77.7	Confident	82.6	Confident	24 Å²	24	45 Å²	45	25%	0.247	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-0.1	-174.8	0	0	0	0	0	116.2	C147	C147-G149 PolarHBondContact O-N 3.4Å; C147-G149 VanDerWaalsContact O-N 3.09Å
150	E	79.3	Confident	82.9	Confident	136 Å²	136	35 Å²	35	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-9.2	175.2	-68.3	172.6	-167.9	0	0	112.7	R131 N148	R131-E150 IonicContact CZ-OE1 2.73Å; R131-E150 IonicContact NH1-OE1 2.69Å; R131-E150 PolarHBondContact NH1-OE1 2.82Å; R131-E150 IonicContact NH2-OE1 3.27Å; R131-E150 PolarHBondContact NH2-OE1 3.33Å; N148-E150 PolarHBondContact O-N 3.1Å
151	N	75.3	Confident	83	Confident	57 Å²	57	38.1 Å²	38.1	31%	0.305	22%	0.217	S	C	.	.			trans	-110	106.4	-176	-169.3	-24.1	0	0	0	111.7	N148 S153 W156	N148-N151 WeakPolarHBondContact ND2-CB 3.28Å; N148-N151 PolarHBondContact O-N 2.98Å; N148-N151 VanDerWaalsContact O-N 3.1Å; N151-S153 VanDerWaalsContact C-N 3.26Å; N151-S153 PolarHBondContact O-N 3.23Å; N151-S153 WeakPolarHBondContact OD1-CB 3.26Å; N151-S153 PolarHBondContact OD1-N 3.3Å; N151-W156 PolarHBondContact O-NE1 3.14Å
152	D	73.8	Confident	83.1	Confident	131 Å²	131	38.1 Å²	38.1	70%	0.701	22%	0.217	S	C	*	.			trans	-82.3	3.9	179.8	-65.9	-30.5	0	0	0	113.9
153	S	71.9	Confident	83.1	Confident	39 Å²	39	39.1 Å²	39.1	27%	0.273	22%	0.222	S	C	.	.			trans	-64.3	128.5	179.7	-175.7	0	0	0	0	111.1	N151 T155 W156 S187	N151-S153 VanDerWaalsContact C-N 3.26Å; N151-S153 PolarHBondContact O-N 3.23Å; N151-S153 WeakPolarHBondContact OD1-CB 3.26Å; N151-S153 PolarHBondContact OD1-N 3.3Å; S153-T155 PolarHBondContact O-N 3.2Å; S153-T155 VanDerWaalsContact O-N 3.16Å; S153-T155 PolarHBondContact OG-N 3.46Å; S153-T155 PolarHBondContact OG-OG1 2.72Å; S153-W156 PolarHBondContact O-NE1 3.07Å; S153-S187 VanDerWaalsContact O-CB 3.22Å; S153-S187 WeakPolarHBondContact O-CB 3.12Å; S153-S187 PolarHBondContact O-OG 3Å; S153-S187 VanDerWaalsContact O-OG 3.12Å
154	P	69.7	Low	83	Confident	108 Å²	108	39.2 Å²	39.2	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-5.1	174.9	31.6	-36	0	0	0	113.4	S187	P154-S187 WeakPolarHBondContact CA-OG 3.35Å
155	T	71.3	Confident	82.9	Confident	89 Å²	89	40.5 Å²	40.5	55%	0.546	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-25.8	-173.7	61.1	0	0	0	0	113.2	S153 G229	S153-T155 PolarHBondContact O-N 3.2Å; S153-T155 VanDerWaalsContact O-N 3.16Å; S153-T155 PolarHBondContact OG-N 3.46Å; S153-T155 PolarHBondContact OG-OG1 2.72Å; T155-G229 VanDerWaalsContact O-CA 3.31Å; T155-G229 WeakPolarHBondContact O-CA 3.41Å; T155-G229 PolarHBondContact OG1-O 3.09Å
156	W	82.9	Confident	82.6	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.011	23%	0.227	C	C	.	.			trans	-91.7	145	-172.4	76.8	-91.5	0	0	0	113.3	L128 C147 N148 N151 S153 C158 F185 Y186 N190 H228 V230	L128-W156 HydrophobicContact CD1-CE3 4.23Å; L128-W156 HydrophobicContact CD1-CZ3 4.2Å; C147-W156 VanDerWaalsContact O-CH2 3.28Å; C147-W156 WeakPolarHBondContact O-CH2 3.45Å; N148-W156 HydrophobicContact CB-CD2 4.48Å; N148-W156 HydrophobicContact CB-CE3 4.37Å; N148-W156 HydrophobicContact CB-CH2 3.62Å; N148-W156 HydrophobicContact CB-CZ2 3.68Å; N148-W156 HydrophobicContact CB-CZ3 3.96Å; N148-W156 VanDerWaalsContact ND2-CD2 3.35Å; N148-W156 VanDerWaalsContact ND2-CE2 3.26Å; N148-W156 PolarHBondContact ND2-NE1 3.45Å; N151-W156 PolarHBondContact O-NE1 3.14Å; S153-W156 PolarHBondContact O-NE1 3.07Å; W156-C158 HydrophobicContact CZ3-CB 4.42Å; W156-F185 HydrophobicContact CH2-CB 4.16Å; W156-F185 HydrophobicContact CZ3-CB 4.1Å; W156-F185 WeakPolarHBondContact CZ3-O 3.38Å; W156-Y186 WeakPolarHBondContact O-CB 3.37Å; W156-N190 HydrophobicContact CH2-CB 4.38Å; W156-N190 HydrophobicContact CZ2-CB 4.25Å; W156-H228 WeakPolarHBondContact CA-O 3.37Å; W156-V230 HydrophobicContact CB-CG2 3.36Å; W156-V230 HydrophobicContact CG-CG2 4.24Å
157	S	83.1	Confident	82.2	Confident	30 Å²	30	43 Å²	43	21%	0.21	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.3	169.1	69	0	0	0	0	111.8	F185 P227 H228	S157-F185 CarbonylContact C-O 3.49Å; S157-F185 WeakPolarHBondContact CA-O 3.38Å; S157-P227 CarbonylContact O-C 3.57Å; S157-P227 VanDerWaalsContact O-CA 3.26Å; S157-P227 WeakPolarHBondContact O-CA 3.43Å; S157-H228 PolarHBondContact N-O 2.87Å; S157-H228 PolarHBondContact O-N 2.73Å
158	C	84.8	Confident	81.7	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	118.7	176.7	-179.7	0	0	0	0	109.3	L128 W156 F185 D225 P227	L128-C158 HydrophobicContact CD1-CB 3.49Å; L128-C158 VanDerWaalsContact CD1-CB 3.49Å; W156-C158 HydrophobicContact CZ3-CB 4.42Å; C158-F185 PolarHBondContact N-O 3.28Å; C158-F185 WeakPolarHBondContact O-CB 3.42Å; C158-F185 PolarHBondContact O-N 2.72Å; C158-D225 PolarHBondContact SG-O 2.85Å; C158-P227 HydrophobicContact CB-CB 4.16Å
159	N	85.6	Confident	81	Confident	45 Å²	45	46.8 Å²	46.8	24%	0.241	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.1	173.6	178.8	40.5	0	0	0	109.3	H183 L184 D225	N159-H183 PolarHBondContact OD1-O 2.88Å; N159-L184 HydrophobicContact CB-CD1 4.07Å; N159-D225 HydrophobicContact CB-CB 4.31Å; N159-D225 WeakPolarHBondContact CB-OD2 3.3Å; N159-D225 PolarHBondContact ND2-OD2 3.01Å; N159-D225 WeakPolarHBondContact O-CB 3.48Å; N159-D225 PolarHBondContact O-N 2.8Å
160	A	86.3	Confident	80.8	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.2	177.4	0	0	0	0	0	112.6	W130 K182 H183 F185 V222 V223 A224	W130-A160 HydrophobicContact CH2-CB 3.29Å; W130-A160 HydrophobicContact CZ2-CB 4.02Å; W130-A160 HydrophobicContact CZ3-CB 4Å; A160-K182 WeakPolarHBondContact O-CA 3.4Å; A160-H183 PolarHBondContact N-O 3.38Å; A160-H183 PolarHBondContact O-N 3.38Å; A160-F185 HydrophobicContact CB-CD2 4.28Å; A160-F185 HydrophobicContact CB-CE2 4.05Å; A160-V222 HydrophobicContact CB-CG2 4.08Å; A160-V223 CarbonylContact C-O 3.52Å; A160-V223 VanDerWaalsContact CA-O 3.24Å; A160-V223 WeakPolarHBondContact CA-O 3.36Å; A160-V223 WeakPolarHBondContact CB-O 3.42Å; A160-A224 HydrophobicContact CB-CB 3.99Å
161	I	86.1	Confident	79.7	Confident	67 Å²	67	49.5 Å²	49.5	34%	0.344	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.4	169.7	-60	170.6	0	0	0	107.1	R180 I181 K182 V223	I161-R180 HydrophobicContact CG2-CB 4.29Å; I161-I181 CarbonylContact C-O 3.57Å; I161-I181 VanDerWaalsContact CA-O 3.29Å; I161-I181 WeakPolarHBondContact CA-O 3.42Å; I161-K182 HydrophobicContact CD1-CD 4.26Å; I161-K182 HydrophobicContact CG1-CB 4.1Å; I161-K182 HydrophobicContact CG1-CD 4.01Å; I161-K182 HydrophobicContact CG1-CG 3.82Å; I161-V223 PolarHBondContact N-O 2.86Å; I161-V223 PolarHBondContact O-N 3.17Å
162	A	87.8	Confident	79	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.6	176.7	0	0	0	0	0	112.8	L145 L164 R180 I181 V220 H221 V222	L145-A162 HydrophobicContact CD2-CB 3.39Å; A162-L164 HydrophobicContact CB-CD1 4.18Å; A162-R180 CarbonylContact O-C 3.55Å; A162-R180 WeakPolarHBondContact O-CA 3.41Å; A162-I181 HydrophobicContact CB-CD1 4.05Å; A162-I181 HydrophobicContact CB-CG1 3.71Å; A162-I181 PolarHBondContact N-O 2.94Å; A162-I181 WeakPolarHBondContact O-CG1 3.38Å; A162-I181 PolarHBondContact O-N 3.08Å; A162-V220 HydrophobicContact CB-CG1 4.03Å; A162-H221 CarbonylContact C-O 3.6Å; A162-H221 WeakPolarHBondContact CA-O 3.33Å; A162-V222 HydrophobicContact CB-CB 4.17Å; A162-V222 HydrophobicContact CB-CG2 4.17Å
163	E	87.9	Confident	78.8	Confident	23 Å²	23	51 Å²	51	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114	174.6	-163.5	179.4	139.8	0	0	109	R165 R180 V220 H221	E163-R165 VanDerWaalsContact CD-NE 3.33Å; E163-R165 HydrophobicContact CG-CG 4.28Å; E163-R165 IonicContact OE1-CZ 3.12Å; E163-R165 VanDerWaalsContact OE1-CZ 3.25Å; E163-R165 IonicContact OE1-NE 3.95Å; E163-R165 PolarHBondContact OE1-NE 3.42Å; E163-R165 IonicContact OE1-NH2 2.67Å; E163-R165 PolarHBondContact OE1-NH2 2.88Å; E163-R165 IonicContact OE2-CZ 3.7Å; E163-R165 IonicContact OE2-NH2 2.75Å; E163-R165 PolarHBondContact OE2-NH2 3.49Å; E163-R180 HydrophobicContact CB-CG 4.08Å; E163-R180 HydrophobicContact CG-CG 4Å; E163-R180 IonicContact OE2-CZ 3.57Å; E163-R180 IonicContact OE2-NE 3.42Å; E163-R180 PolarHBondContact OE2-NE 3.38Å; E163-R180 IonicContact OE2-NH2 2.72Å; E163-R180 PolarHBondContact OE2-NH2 3.11Å; E163-V220 WeakPolarHBondContact O-CA 3.35Å; E163-H221 HydrophobicContact CB-CB 4.37Å; E163-H221 PolarHBondContact N-O 2.79Å; E163-H221 PolarHBondContact O-N 2.93Å
164	L	88.8	Confident	78.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.9	-178.9	-80.3	67.9	0	0	0	109	F143 A162 I181 Y194 F197 V220	F143-L164 HydrophobicContact CB-CD2 4.39Å; F143-L164 HydrophobicContact CD1-CB 3.88Å; F143-L164 HydrophobicContact CD1-CD2 3.9Å; F143-L164 HydrophobicContact CD1-CG 4.16Å; F143-L164 HydrophobicContact CD2-CD2 3.95Å; F143-L164 HydrophobicContact CD2-CG 4.5Å; F143-L164 HydrophobicContact CE1-CB 3.57Å; F143-L164 HydrophobicContact CE1-CD2 4.13Å; F143-L164 HydrophobicContact CE1-CG 3.89Å; F143-L164 HydrophobicContact CE2-CD2 4.11Å; F143-L164 HydrophobicContact CE2-CG 4.18Å; F143-L164 HydrophobicContact CG-CD2 3.82Å; F143-L164 HydrophobicContact CG-CG 4.47Å; F143-L164 HydrophobicContact CZ-CB 4.04Å; F143-L164 HydrophobicContact CZ-CD2 4.22Å; F143-L164 HydrophobicContact CZ-CG 3.9Å; F143-L164 WeakPolarHBondContact O-CD2 3.48Å; A162-L164 HydrophobicContact CB-CD1 4.18Å; L164-I181 HydrophobicContact CD1-CD1 3.52Å; L164-I181 HydrophobicContact CD1-CG1 3.73Å; L164-I181 HydrophobicContact CD1-CG2 4.43Å; L164-Y194 HydrophobicContact CD2-CD2 4.44Å; L164-F197 HydrophobicContact CB-CE2 3.98Å; L164-F197 HydrophobicContact CB-CZ 4.46Å; L164-V220 HydrophobicContact CG-CG2 4.15Å
165	R	88.3	Confident	78.9	Confident	52 Å²	52	54 Å²	54	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.8	-173.6	-46.4	-168.6	171.7	141.2	-0.4	111.4	E163 P175 F176 T177 E219	E163-R165 VanDerWaalsContact CD-NE 3.33Å; E163-R165 HydrophobicContact CG-CG 4.28Å; E163-R165 IonicContact OE1-CZ 3.12Å; E163-R165 VanDerWaalsContact OE1-CZ 3.25Å; E163-R165 IonicContact OE1-NE 3.95Å; E163-R165 PolarHBondContact OE1-NE 3.42Å; E163-R165 IonicContact OE1-NH2 2.67Å; E163-R165 PolarHBondContact OE1-NH2 2.88Å; E163-R165 IonicContact OE2-CZ 3.7Å; E163-R165 IonicContact OE2-NH2 2.75Å; E163-R165 PolarHBondContact OE2-NH2 3.49Å; R165-P175 HydrophobicContact CB-CB 4.3Å; R165-F176 WeakPolarHBondContact CA-O 3.34Å; R165-T177 HydrophobicContact CB-CG2 3.94Å; R165-T177 HydrophobicContact CG-CG2 3.57Å; R165-E219 HydrophobicContact CB-CB 4.3Å; R165-E219 PolarHBondContact N-O 2.96Å; R165-E219 IonicContact NH1-OE1 2.89Å; R165-E219 PolarHBondContact O-N 3.41Å
166	L	86.2	Confident	79.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.8	168	171.4	70.7	0	0	0	108.6	P175 F176 F197 I198 L203 Y210 I216 L218	L166-P175 CarbonylContact O-C 3.59Å; L166-P175 WeakPolarHBondContact O-CA 3.42Å; L166-P175 WeakPolarHBondContact O-CB 3.19Å; L166-F176 HydrophobicContact CB-CB 4.23Å; L166-F176 PolarHBondContact N-O 3.26Å; L166-F176 PolarHBondContact O-N 3.19Å; L166-F197 HydrophobicContact CB-CE1 4Å; L166-I198 HydrophobicContact CD2-CD1 3.81Å; L166-I198 HydrophobicContact CD2-CG2 4.46Å; L166-L203 HydrophobicContact CD2-CD1 3.79Å; L166-Y210 HydrophobicContact CD2-CD1 3.97Å; L166-Y210 HydrophobicContact CD2-CD2 4.38Å; L166-Y210 HydrophobicContact CD2-CG 3.88Å; L166-Y210 HydrophobicContact CG-CD1 4.09Å; L166-Y210 HydrophobicContact CG-CG 4.41Å; L166-I216 HydrophobicContact CD1-CB 4.01Å; L166-I216 HydrophobicContact CD1-CD1 4.44Å; L166-L218 HydrophobicContact CB-CD2 4.3Å; L166-L218 HydrophobicContact CD1-CD2 3.71Å
167	K	83	Confident	79.1	Confident	78 Å²	78	54.8 Å²	54.8	34%	0.339	29%	0.291	S	S	.	.			trans	-70.2	136.1	-178.1	-78.9	-173.8	172	166.1	0	111.4	T217 E219	K167-T217 HydrophobicContact CD-CG2 4.18Å; K167-T217 PolarHBondContact N-O 3.38Å; K167-E219 WeakPolarHBondContact CE-OE2 3.41Å; K167-E219 IonicContact NZ-OE2 2.69Å; K167-E219 PolarHBondContact NZ-OE2 2.99Å
168	C	79.1	Confident	78.7	Confident	23 Å²	23	57.7 Å²	57.7	16%	0.155	30%	0.297	C	S	.	.			trans	-88.2	139.8	168.8	-173.4	0	0	0	0	109.4	K170 A173 K208 Y210	C168-K170 VanDerWaalsContact C-N 3.32Å; C168-A173 HydrophobicContact CB-CB 3.84Å; C168-A173 VanDerWaalsContact SG-CB 3.59Å; C168-K208 PolarHBondContact SG-O 3.37Å; C168-Y210 HydrophobicContact CB-CD1 4.17Å; C168-Y210 HydrophobicContact CB-CE1 4Å
169	H	72.3	Confident	78.2	Confident	72 Å²	72	60.6 Å²	60.6	33%	0.333	32%	0.321	S	S	.	.	S	Bend	trans	-89	6.5	-179.8	-66.9	78.8	0	0	0	113.5	S209 Y210 H212	H169-S209 PolarHBondContact N-O 3.04Å; H169-S209 VanDerWaalsContact N-O 3.11Å; H169-Y210 PolarHBondContact CE1-O 2.83Å; H169-Y210 PolarHBondContact ND1-O 3.15Å; H169-H212 HydrophobicContact CB-CB 4.13Å; H169-H212 WeakPolarHBondContact CD2-CB 3.27Å; H169-H212 AromaticContact CD2-CG 3.84Å
170	K	73.3	Confident	77.9	Confident	98 Å²	98	66.2 Å²	66.2	43%	0.426	34%	0.339	S	S	.	.	S	Bend	trans	-82.8	137	169.2	-70	-177	-172.5	-178.1	0	110	C168 D172 A173 E207 S209	C168-K170 VanDerWaalsContact C-N 3.32Å; K170-D172 PolarHBondContact O-N 3.41Å; K170-A173 HydrophobicContact CB-CB 3.89Å; K170-A173 PolarHBondContact O-N 3.06Å; K170-E207 WeakPolarHBondContact CE-O 3.33Å; K170-E207 PolarHBondContact NZ-O 3.18Å; K170-S209 WeakPolarHBondContact CE-OG 3.2Å
171	P	56.7	Low	77.8	Confident	119 Å²	119	66.4 Å²	66.4	77%	0.773	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.6	169.9	24.4	-30	0	0	0	109.3	A173	P171-A173 PolarHBondContact O-N 2.75Å
172	D	60	Low	77.4	Confident	174 Å²	174	67.7 Å²	67.7	93%	0.93	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	12.1	178.8	-53.2	-36.7	0	0	0	118.4	K170	K170-D172 PolarHBondContact O-N 3.41Å
173	A	69.3	Low	77.3	Confident	44 Å²	44	68.6 Å²	68.6	36%	0.364	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-84.7	132.7	174.2	0	0	0	0	0	112.6	C168 K170 P171	C168-A173 HydrophobicContact CB-CB 3.84Å; C168-A173 VanDerWaalsContact SG-CB 3.59Å; K170-A173 HydrophobicContact CB-CB 3.89Å; K170-A173 PolarHBondContact O-N 3.06Å; P171-A173 PolarHBondContact O-N 2.75Å
174	Q	68.1	Low	77.1	Confident	170 Å²	170	71.6 Å²	71.6	79%	0.794	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-60.5	136.5	174.6	-73.2	-74.4	-18.2	0	0	110.9
175	P	76.5	Confident	77	Confident	40 Å²	40	71.6 Å²	71.6	26%	0.26	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-64.2	150.4	176.4	27.1	-32.7	0	0	0	110.6	R165 L166 T177	R165-P175 HydrophobicContact CB-CB 4.3Å; L166-P175 CarbonylContact O-C 3.59Å; L166-P175 WeakPolarHBondContact O-CA 3.42Å; L166-P175 WeakPolarHBondContact O-CB 3.19Å; P175-T177 HydrophobicContact CB-CG2 4.37Å; P175-T177 HydrophobicContact CG-CG2 4.12Å; P175-T177 PolarHBondContact O-N 3.39Å
176	F	79.1	Confident	76.9	Confident	50 Å²	50	72.4 Å²	72.4	22%	0.219	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	113.7	171.4	178.4	-92.9	0	0	0	108.6	R165 L166 R178 F197 I198 Y210	R165-F176 WeakPolarHBondContact CA-O 3.34Å; L166-F176 HydrophobicContact CB-CB 4.23Å; L166-F176 PolarHBondContact N-O 3.26Å; L166-F176 PolarHBondContact O-N 3.19Å; F176-R178 HydrophobicContact CE1-CG 4.18Å; F176-R178 HydrophobicContact CZ-CG 4.43Å; F176-F197 HydrophobicContact CD1-CD1 4.36Å; F176-F197 AromaticContact CD1-CE1 3.62Å; F176-F197 HydrophobicContact CD1-CE1 3.62Å; F176-F197 AromaticContact CD1-CZ 3.87Å; F176-F197 HydrophobicContact CD1-CZ 3.87Å; F176-F197 HydrophobicContact CE1-CD1 4.17Å; F176-F197 AromaticContact CE1-CE1 3.82Å; F176-F197 HydrophobicContact CE1-CE1 3.82Å; F176-F197 HydrophobicContact CE1-CZ 4.04Å; F176-F197 WeakPolarHBondContact CE1-O 3.39Å; F176-I198 HydrophobicContact CD1-CD1 4.41Å; F176-I198 HydrophobicContact CE1-CB 4.22Å; F176-I198 HydrophobicContact CE1-CD1 4.5Å; F176-Y210 HydrophobicContact CB-CE1 3.82Å
177	T	78.3	Confident	76.7	Confident	60 Å²	60	73.2 Å²	73.2	37%	0.368	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.2	179.4	61.3	0	0	0	0	109.9	R165 P175	R165-T177 HydrophobicContact CB-CG2 3.94Å; R165-T177 HydrophobicContact CG-CG2 3.57Å; P175-T177 HydrophobicContact CB-CG2 4.37Å; P175-T177 HydrophobicContact CG-CG2 4.12Å; P175-T177 PolarHBondContact O-N 3.39Å
178	R	75.9	Confident	76.7	Confident	90 Å²	90	78.2 Å²	78.2	34%	0.34	39%	0.394	S	S	.	.			trans	-109.3	-179.7	166.7	-72.3	-165	172	-155.5	0.4	109.5	F176 Y194 N196 F197	F176-R178 HydrophobicContact CE1-CG 4.18Å; F176-R178 HydrophobicContact CZ-CG 4.43Å; R178-Y194 HydrophobicContact CB-CD2 4.39Å; R178-Y194 HydrophobicContact CB-CE2 3.84Å; R178-N196 PolarHBondContact NH1-O 2.85Å; R178-N196 PolarHBondContact NH2-O 2.78Å; R178-F197 HydrophobicContact CB-CE2 4.06Å; R178-F197 HydrophobicContact CG-CD2 4.09Å; R178-F197 HydrophobicContact CG-CE2 3.83Å; R178-F197 PolarHBondContact NE-O 2.91Å; R178-F197 PolarHBondContact NH2-O 2.88Å
179	A	73.6	Confident	77	Confident	63 Å²	63	81.4 Å²	81.4	52%	0.521	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-50.2	145.4	171.1	0	0	0	0	0	110.6	Y194	A179-Y194 PolarHBondContact O-OH 3.5Å
180	R	79.9	Confident	77.8	Confident	162 Å²	162	79 Å²	79	61%	0.611	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63	138.5	175.4	-68.5	178.8	174.2	169.4	-1	109.1	I161 A162 E163	I161-R180 HydrophobicContact CG2-CB 4.29Å; A162-R180 CarbonylContact O-C 3.55Å; A162-R180 WeakPolarHBondContact O-CA 3.41Å; E163-R180 HydrophobicContact CB-CG 4.08Å; E163-R180 HydrophobicContact CG-CG 4Å; E163-R180 IonicContact OE2-CZ 3.57Å; E163-R180 IonicContact OE2-NE 3.42Å; E163-R180 PolarHBondContact OE2-NE 3.38Å; E163-R180 IonicContact OE2-NH2 2.72Å; E163-R180 PolarHBondContact OE2-NH2 3.11Å
181	I	83.6	Confident	78.5	Confident	6 Å²	6	77.2 Å²	77.2	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136	170.2	65.2	170.2	0	0	0	108.5	L145 I161 A162 L164 Y192 Y194	L145-I181 HydrophobicContact CB-CD1 4.1Å; L145-I181 HydrophobicContact CD2-CD1 4.44Å; I161-I181 CarbonylContact C-O 3.57Å; I161-I181 VanDerWaalsContact CA-O 3.29Å; I161-I181 WeakPolarHBondContact CA-O 3.42Å; A162-I181 HydrophobicContact CB-CD1 4.05Å; A162-I181 HydrophobicContact CB-CG1 3.71Å; A162-I181 PolarHBondContact N-O 2.94Å; A162-I181 WeakPolarHBondContact O-CG1 3.38Å; A162-I181 PolarHBondContact O-N 3.08Å; L164-I181 HydrophobicContact CD1-CD1 3.52Å; L164-I181 HydrophobicContact CD1-CG1 3.73Å; L164-I181 HydrophobicContact CD1-CG2 4.43Å; I181-Y192 HydrophobicContact CB-CD1 4.02Å; I181-Y192 HydrophobicContact CB-CE1 4.32Å; I181-Y192 HydrophobicContact CD1-CD1 4.32Å; I181-Y192 WeakPolarHBondContact CD1-O 3.43Å; I181-Y192 HydrophobicContact CG2-CD1 4.26Å; I181-Y192 HydrophobicContact CG2-CE1 4.42Å; I181-Y194 HydrophobicContact CG2-CD2 4.43Å; I181-Y194 HydrophobicContact CG2-CE2 3.68Å
182	K	78.6	Confident	80.2	Confident	95 Å²	95	76.6 Å²	76.6	41%	0.413	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.2	168.5	179.1	174.7	-178.5	176.9	0	106.7	A160 I161	A160-K182 WeakPolarHBondContact O-CA 3.4Å; I161-K182 HydrophobicContact CD1-CD 4.26Å; I161-K182 HydrophobicContact CG1-CB 4.1Å; I161-K182 HydrophobicContact CG1-CD 4.01Å; I161-K182 HydrophobicContact CG1-CG 3.82Å
183	H	83.9	Confident	81.6	Confident	20 Å²	20	69 Å²	69	9%	0.093	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145.1	-172.4	-169.7	58.3	0	0	0	111.7	N159 A160 F185 E189 Y192	N159-H183 PolarHBondContact OD1-O 2.88Å; A160-H183 PolarHBondContact N-O 3.38Å; A160-H183 PolarHBondContact O-N 3.38Å; H183-F185 HydrophobicContact CB-CD2 4.32Å; H183-F185 HydrophobicContact CB-CE2 3.79Å; H183-F185 HydrophobicContact CB-CZ 4.02Å; H183-F185 AromaticContact CD2-CD1 3.83Å; H183-F185 AromaticContact CD2-CE1 3.88Å; H183-F185 AromaticContact CD2-CG 3.95Å; H183-F185 WeakPolarHBondContact O-CD2 3.12Å; H183-E189 IonicContact CE1-OE2 3.71Å; H183-E189 PolarHBondContact CE1-OE2 2.94Å; H183-E189 PolarHBondContact NE2-O 2.74Å; H183-E189 IonicContact NE2-OE2 2.85Å; H183-Y192 HydrophobicContact CB-CD1 3.88Å; H183-Y192 HydrophobicContact CB-CD2 4.35Å; H183-Y192 HydrophobicContact CB-CE1 4.47Å; H183-Y192 HydrophobicContact CB-CG 3.8Å; H183-Y192 AromaticContact CD2-CD2 3.92Å; H183-Y192 AromaticContact CD2-CG 3.84Å; H183-Y192 AromaticContact CE1-CD2 3.57Å; H183-Y192 AromaticContact CE1-CE2 3.98Å; H183-Y192 AromaticContact CG-CD2 3.63Å; H183-Y192 AromaticContact CG-CG 3.51Å; H183-Y192 AromaticContact ND1-CD2 3.43Å; H183-Y192 WeakPolarHBondContact ND1-CD2 3.44Å; H183-Y192 AromaticContact ND1-CE2 3.68Å; H183-Y192 AromaticContact ND1-CG 3.81Å; H183-Y192 AromaticContact NE2-CD2 3.86Å
184	L	85.6	Confident	82.4	Confident	85 Å²	85	69.5 Å²	69.5	45%	0.445	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.4	167.8	179.2	66.4	0	0	0	107.7	N159 Y186	N159-L184 HydrophobicContact CB-CD1 4.07Å; L184-Y186 HydrophobicContact CG-CD1 4.48Å; L184-Y186 VanDerWaalsContact O-CD1 3.32Å; L184-Y186 WeakPolarHBondContact O-CD1 3.14Å
185	F	85.6	Confident	83.1	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.009	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.2	176.2	-63.9	-92.7	0	0	0	109.9	W130 L145 C147 W156 S157 C158 A160 H183 N190	W130-F185 AromaticContact CH2-CD2 3.71Å; W130-F185 HydrophobicContact CH2-CD2 3.71Å; W130-F185 AromaticContact CH2-CE2 3.84Å; W130-F185 HydrophobicContact CH2-CE2 3.84Å; W130-F185 HydrophobicContact CH2-CG 4.29Å; W130-F185 AromaticContact CZ3-CD2 3.93Å; W130-F185 HydrophobicContact CZ3-CD2 3.93Å; W130-F185 HydrophobicContact CZ3-CE1 4.38Å; W130-F185 AromaticContact CZ3-CE2 3.68Å; W130-F185 HydrophobicContact CZ3-CE2 3.68Å; W130-F185 HydrophobicContact CZ3-CG 4.39Å; W130-F185 AromaticContact CZ3-CZ 3.92Å; W130-F185 HydrophobicContact CZ3-CZ 3.92Å; L145-F185 HydrophobicContact CD2-CZ 4.41Å; L145-F185 WeakPolarHBondContact O-CE1 3.44Å; C147-F185 HydrophobicContact CB-CB 3.82Å; C147-F185 HydrophobicContact CB-CD1 3.66Å; C147-F185 HydrophobicContact CB-CD2 4.43Å; C147-F185 HydrophobicContact CB-CE1 4.34Å; C147-F185 HydrophobicContact CB-CG 3.7Å; W156-F185 HydrophobicContact CH2-CB 4.16Å; W156-F185 HydrophobicContact CZ3-CB 4.1Å; W156-F185 WeakPolarHBondContact CZ3-O 3.38Å; S157-F185 CarbonylContact C-O 3.49Å; S157-F185 WeakPolarHBondContact CA-O 3.38Å; C158-F185 PolarHBondContact N-O 3.28Å; C158-F185 WeakPolarHBondContact O-CB 3.42Å; C158-F185 PolarHBondContact O-N 2.72Å; A160-F185 HydrophobicContact CB-CD2 4.28Å; A160-F185 HydrophobicContact CB-CE2 4.05Å; H183-F185 HydrophobicContact CB-CD2 4.32Å; H183-F185 HydrophobicContact CB-CE2 3.79Å; H183-F185 HydrophobicContact CB-CZ 4.02Å; H183-F185 AromaticContact CD2-CD1 3.83Å; H183-F185 AromaticContact CD2-CE1 3.88Å; H183-F185 AromaticContact CD2-CG 3.95Å; H183-F185 WeakPolarHBondContact O-CD2 3.12Å; F185-N190 WeakPolarHBondContact CD1-O 3.36Å
186	Y	85.4	Confident	83.5	Confident	70 Å²	70	66.9 Å²	66.9	28%	0.275	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	173.7	175.1	63.7	-77.7	0	0	0	109.2	W156 L184 K188 E189 N190	W156-Y186 WeakPolarHBondContact O-CB 3.37Å; L184-Y186 HydrophobicContact CG-CD1 4.48Å; L184-Y186 VanDerWaalsContact O-CD1 3.32Å; L184-Y186 WeakPolarHBondContact O-CD1 3.14Å; Y186-K188 VanDerWaalsContact C-N 3.27Å; Y186-K188 HydrophobicContact CD2-CB 4.15Å; Y186-K188 HydrophobicContact CE2-CB 3.6Å; Y186-K188 HydrophobicContact CE2-CD 4.35Å; Y186-K188 HydrophobicContact CE2-CG 4.11Å; Y186-K188 PolarHBondContact O-N 3.29Å; Y186-E189 HydrophobicContact CD1-CB 4.19Å; Y186-E189 HydrophobicContact CE1-CB 3.59Å; Y186-E189 HydrophobicContact CE1-CG 3.98Å; Y186-E189 WeakPolarHBondContact CE1-OE2 3.29Å; Y186-E189 PolarHBondContact N-O 3.4Å; Y186-E189 CarbonylContact O-C 3.33Å; Y186-E189 PolarHBondContact O-N 3.27Å; Y186-E189 WeakPolarHBondContact OH-CG 3.27Å; Y186-E189 PolarHBondContact OH-OE2 3.49Å; Y186-N190 WeakPolarHBondContact O-CA 3.49Å; Y186-N190 WeakPolarHBondContact O-CB 3.41Å; Y186-N190 PolarHBondContact O-N 3.09Å; Y186-N190 VanDerWaalsContact O-N 3.08Å
187	S	82.2	Confident	83.7	Confident	17 Å²	17	64.5 Å²	64.5	12%	0.119	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.7	-169.5	50	0	0	0	0	116.4	S153 P154	S153-S187 VanDerWaalsContact O-CB 3.22Å; S153-S187 WeakPolarHBondContact O-CB 3.12Å; S153-S187 PolarHBondContact O-OG 3Å; S153-S187 VanDerWaalsContact O-OG 3.12Å; P154-S187 WeakPolarHBondContact CA-OG 3.35Å
188	K	83.8	Confident	84	Confident	182 Å²	182	61.8 Å²	61.8	79%	0.791	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-29	177.7	-57.8	-176	177.4	177.7	0	114	Y186	Y186-K188 VanDerWaalsContact C-N 3.27Å; Y186-K188 HydrophobicContact CD2-CB 4.15Å; Y186-K188 HydrophobicContact CE2-CB 3.6Å; Y186-K188 HydrophobicContact CE2-CD 4.35Å; Y186-K188 HydrophobicContact CE2-CG 4.11Å; Y186-K188 PolarHBondContact O-N 3.29Å
189	E	86.1	Confident	84.4	Confident	91 Å²	91	59.9 Å²	59.9	43%	0.425	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-126.2	66.4	179.2	-66	-179.3	171.8	0	0	108.5	H183 Y186 D191	H183-E189 IonicContact CE1-OE2 3.71Å; H183-E189 PolarHBondContact CE1-OE2 2.94Å; H183-E189 PolarHBondContact NE2-O 2.74Å; H183-E189 IonicContact NE2-OE2 2.85Å; Y186-E189 HydrophobicContact CD1-CB 4.19Å; Y186-E189 HydrophobicContact CE1-CB 3.59Å; Y186-E189 HydrophobicContact CE1-CG 3.98Å; Y186-E189 WeakPolarHBondContact CE1-OE2 3.29Å; Y186-E189 PolarHBondContact N-O 3.4Å; Y186-E189 CarbonylContact O-C 3.33Å; Y186-E189 PolarHBondContact O-N 3.27Å; Y186-E189 WeakPolarHBondContact OH-CG 3.27Å; Y186-E189 PolarHBondContact OH-OE2 3.49Å; E189-D191 VanDerWaalsContact C-N 3.33Å
190	N	87.7	Confident	84.9	Confident	21 Å²	21	59 Å²	59	11%	0.112	28%	0.28	C	S	.	.			trans	-87.4	-4.3	-175.8	70.3	33.6	0	0	0	112.8	Q146 C147 W156 F185 Y186	Q146-N190 CarbonylContact C-O 3.55Å; Q146-N190 WeakPolarHBondContact CA-O 3.18Å; Q146-N190 PolarHBondContact NE2-OD1 2.81Å; C147-N190 PolarHBondContact N-O 2.94Å; C147-N190 WeakPolarHBondContact O-CB 3.2Å; W156-N190 HydrophobicContact CH2-CB 4.38Å; W156-N190 HydrophobicContact CZ2-CB 4.25Å; F185-N190 WeakPolarHBondContact CD1-O 3.36Å; Y186-N190 WeakPolarHBondContact O-CA 3.49Å; Y186-N190 WeakPolarHBondContact O-CB 3.41Å; Y186-N190 PolarHBondContact O-N 3.09Å; Y186-N190 VanDerWaalsContact O-N 3.08Å
191	D	89.4	Confident	84.9	Confident	61 Å²	61	59.5 Å²	59.5	33%	0.326	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.9	174	69.2	-85.6	0	0	0	112.1	M133 L145 Q146 E189	M133-D191 HydrophobicContact CE-CB 3.63Å; M133-D191 VanDerWaalsContact CE-OD2 3.29Å; M133-D191 WeakPolarHBondContact CE-OD2 3.44Å; L145-D191 CarbonylContact O-C 3.04Å; L145-D191 VanDerWaalsContact O-CA 3.3Å; L145-D191 WeakPolarHBondContact O-CA 3.2Å; Q146-D191 HydrophobicContact CB-CB 4.06Å; Q146-D191 HydrophobicContact CG-CB 4.23Å; E189-D191 VanDerWaalsContact C-N 3.33Å
192	Y	90.7	Very high	84.7	Confident	105 Å²	105	62.6 Å²	62.6	41%	0.412	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.1	179.1	-159.6	-97.1	0	0	0	111.6	L145 I181 H183	L145-Y192 PolarHBondContact N-O 2.96Å; L145-Y192 PolarHBondContact O-N 2.55Å; I181-Y192 HydrophobicContact CB-CD1 4.02Å; I181-Y192 HydrophobicContact CB-CE1 4.32Å; I181-Y192 HydrophobicContact CD1-CD1 4.32Å; I181-Y192 WeakPolarHBondContact CD1-O 3.43Å; I181-Y192 HydrophobicContact CG2-CD1 4.26Å; I181-Y192 HydrophobicContact CG2-CE1 4.42Å; H183-Y192 HydrophobicContact CB-CD1 3.88Å; H183-Y192 HydrophobicContact CB-CD2 4.35Å; H183-Y192 HydrophobicContact CB-CE1 4.47Å; H183-Y192 HydrophobicContact CB-CG 3.8Å; H183-Y192 AromaticContact CD2-CD2 3.92Å; H183-Y192 AromaticContact CD2-CG 3.84Å; H183-Y192 AromaticContact CE1-CD2 3.57Å; H183-Y192 AromaticContact CE1-CE2 3.98Å; H183-Y192 AromaticContact CG-CD2 3.63Å; H183-Y192 AromaticContact CG-CG 3.51Å; H183-Y192 AromaticContact ND1-CD2 3.43Å; H183-Y192 WeakPolarHBondContact ND1-CD2 3.44Å; H183-Y192 AromaticContact ND1-CE2 3.68Å; H183-Y192 AromaticContact ND1-CG 3.81Å; H183-Y192 AromaticContact NE2-CD2 3.86Å
193	G	89.4	Confident	84.8	Confident	16 Å²	16	58.2 Å²	58.2	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-150.2	-176.9	0	0	0	0	0	113.6
194	Y	86.1	Confident	84.3	Confident	54 Å²	54	63.2 Å²	63.2	21%	0.212	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117	-172.7	-64.9	-76.6	0	0	0	111.3	G142 F143 L164 R178 A179 I181 N196 F197	G142-Y194 CarbonylContact C-O 3.58Å; G142-Y194 VanDerWaalsContact CA-O 3.24Å; G142-Y194 WeakPolarHBondContact CA-O 3.45Å; F143-Y194 PolarHBondContact N-O 2.85Å; F143-Y194 PolarHBondContact O-N 2.93Å; L164-Y194 HydrophobicContact CD2-CD2 4.44Å; R178-Y194 HydrophobicContact CB-CD2 4.39Å; R178-Y194 HydrophobicContact CB-CE2 3.84Å; A179-Y194 PolarHBondContact O-OH 3.5Å; I181-Y194 HydrophobicContact CG2-CD2 4.43Å; I181-Y194 HydrophobicContact CG2-CE2 3.68Å; Y194-N196 PolarHBondContact O-N 2.8Å; Y194-F197 AromaticContact CD2-CD2 3.78Å; Y194-F197 HydrophobicContact CD2-CD2 3.78Å; Y194-F197 HydrophobicContact CD2-CE2 4.3Å; Y194-F197 HydrophobicContact CG-CD2 4.2Å
195	S	84.2	Confident	83.9	Confident	71 Å²	71	61.8 Å²	61.8	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-29.9	173.9	-24.5	0	0	0	0	112.6	G142	G142-S195 WeakPolarHBondContact CA-O 3.37Å
196	N	83.6	Confident	82.8	Confident	84 Å²	84	66.8 Å²	66.8	45%	0.449	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	66.5	177.4	-67	-27	0	0	0	109.8	A140 R178 Y194	A140-N196 HydrophobicContact CB-CB 4.01Å; R178-N196 PolarHBondContact NH1-O 2.85Å; R178-N196 PolarHBondContact NH2-O 2.78Å; Y194-N196 PolarHBondContact O-N 2.8Å
197	F	84.6	Confident	81.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-43.8	-176.7	-176.3	-100.7	0	0	0	112.6	L141 F143 L164 L166 F176 R178 Y194	L141-F197 WeakPolarHBondContact O-CB 3.31Å; L141-F197 PolarHBondContact O-N 3.48Å; F143-F197 HydrophobicContact CB-CB 3.85Å; F143-F197 HydrophobicContact CB-CD1 4.23Å; F143-F197 HydrophobicContact CB-CD2 4.28Å; F143-F197 HydrophobicContact CB-CG 3.86Å; F143-F197 AromaticContact CD1-CD1 3.95Å; F143-F197 HydrophobicContact CD1-CD1 3.95Å; F143-F197 HydrophobicContact CD1-CD2 4.12Å; F143-F197 AromaticContact CD1-CE1 3.85Å; F143-F197 HydrophobicContact CD1-CE1 3.85Å; F143-F197 HydrophobicContact CD1-CE2 4.02Å; F143-F197 HydrophobicContact CD1-CG 4.08Å; F143-F197 AromaticContact CD1-CZ 3.89Å; F143-F197 HydrophobicContact CD1-CZ 3.89Å; F143-F197 HydrophobicContact CE1-CE1 4.49Å; F143-F197 HydrophobicContact CE1-CZ 4.33Å; L164-F197 HydrophobicContact CB-CE2 3.98Å; L164-F197 HydrophobicContact CB-CZ 4.46Å; L166-F197 HydrophobicContact CB-CE1 4Å; F176-F197 HydrophobicContact CD1-CD1 4.36Å; F176-F197 AromaticContact CD1-CE1 3.62Å; F176-F197 HydrophobicContact CD1-CE1 3.62Å; F176-F197 AromaticContact CD1-CZ 3.87Å; F176-F197 HydrophobicContact CD1-CZ 3.87Å; F176-F197 HydrophobicContact CE1-CD1 4.17Å; F176-F197 AromaticContact CE1-CE1 3.82Å; F176-F197 HydrophobicContact CE1-CE1 3.82Å; F176-F197 HydrophobicContact CE1-CZ 4.04Å; F176-F197 WeakPolarHBondContact CE1-O 3.39Å; R178-F197 HydrophobicContact CB-CE2 4.06Å; R178-F197 HydrophobicContact CG-CD2 4.09Å; R178-F197 HydrophobicContact CG-CE2 3.83Å; R178-F197 PolarHBondContact NE-O 2.91Å; R178-F197 PolarHBondContact NH2-O 2.88Å; Y194-F197 AromaticContact CD2-CD2 3.78Å; Y194-F197 HydrophobicContact CD2-CD2 3.78Å; Y194-F197 HydrophobicContact CD2-CE2 4.3Å; Y194-F197 HydrophobicContact CG-CD2 4.2Å
198	I	83.9	Confident	81.1	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138.9	174.2	-170.9	166.9	0	0	0	109.6	A140 L141 L166 F176 E202 L203 Y210	A140-I198 WeakPolarHBondContact CA-O 3.35Å; A140-I198 WeakPolarHBondContact CB-O 3.33Å; L141-I198 HydrophobicContact CB-CG2 4.1Å; L141-I198 HydrophobicContact CD2-CG2 4.47Å; L141-I198 PolarHBondContact N-O 3.01Å; L166-I198 HydrophobicContact CD2-CD1 3.81Å; L166-I198 HydrophobicContact CD2-CG2 4.46Å; F176-I198 HydrophobicContact CD1-CD1 4.41Å; F176-I198 HydrophobicContact CE1-CB 4.22Å; F176-I198 HydrophobicContact CE1-CD1 4.5Å; I198-E202 HydrophobicContact CD1-CB 4.25Å; I198-E202 HydrophobicContact CG1-CB 3.9Å; I198-L203 HydrophobicContact CD1-CB 4.35Å; I198-L203 HydrophobicContact CD1-CD1 4.15Å; I198-L203 HydrophobicContact CG1-CB 4.41Å; I198-L203 HydrophobicContact CG2-CB 4.37Å; I198-L203 HydrophobicContact CG2-CD1 4.09Å; I198-Y210 HydrophobicContact CD1-CD2 4.15Å; I198-Y210 HydrophobicContact CD1-CE2 4.26Å
199	T	85.4	Confident	80.5	Confident	50 Å²	50	66.6 Å²	66.6	31%	0.307	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.2	179.6	63.7	0	0	0	0	111.1	Q201 E202 L203	T199-Q201 PolarHBondContact O-N 2.86Å; T199-E202 PolarHBondContact N-OE2 2.78Å; T199-E202 PolarHBondContact O-N 3.02Å; T199-E202 WeakPolarHBondContact OG1-CB 3.31Å; T199-E202 VanDerWaalsContact OG1-CD 3.3Å; T199-E202 WeakPolarHBondContact OG1-CG 3.39Å; T199-E202 PolarHBondContact OG1-N 3.11Å; T199-E202 PolarHBondContact OG1-OE2 3.25Å; T199-L203 WeakPolarHBondContact O-CB 3.3Å; T199-L203 PolarHBondContact O-N 2.88Å
200	W	82.4	Confident	80	Confident	46 Å²	46	63.7 Å²	63.7	17%	0.174	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-26.7	176.6	-67.5	119.7	0	0	0	113.1	V111 P136 N137 R139 A140 L141 L203 K204	V111-W200 HydrophobicContact CG1-CH2 4.44Å; V111-W200 HydrophobicContact CG1-CZ3 4.02Å; P136-W200 HydrophobicContact CB-CZ2 4.13Å; N137-W200 PolarHBondContact O-NE1 2.8Å; R139-W200 PolarHBondContact O-N 3.02Å; A140-W200 PolarHBondContact O-NE1 2.91Å; L141-W200 HydrophobicContact CB-CH2 4.39Å; L141-W200 HydrophobicContact CD1-CH2 3.71Å; L141-W200 HydrophobicContact CD1-CZ2 4.3Å; L141-W200 HydrophobicContact CD1-CZ3 4.33Å; W200-L203 HydrophobicContact CE3-CD2 4Å; W200-L203 HydrophobicContact CZ3-CD2 3.92Å; W200-K204 WeakPolarHBondContact O-CB 3.37Å; W200-K204 VanDerWaalsContact O-CG 3.26Å; W200-K204 WeakPolarHBondContact O-CG 3.42Å; W200-K204 PolarHBondContact O-N 2.83Å
201	Q	80.4	Confident	79.5	Confident	172 Å²	172	65 Å²	65	80%	0.804	33%	0.333	S	S	*	.	H	α-helix	trans	-69.9	-49.2	175.7	-69.6	178.9	-13.5	0	0	111	T199 L203 K204 D205	T199-Q201 PolarHBondContact O-N 2.86Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 2.79Å; Q201-K204 PolarHBondContact O-N 3.3Å; Q201-D205 PolarHBondContact O-N 2.83Å
202	E	80.1	Confident	78.7	Confident	70 Å²	70	66.4 Å²	66.4	33%	0.327	34%	0.338	S	S	.	.	H	α-helix	trans	-68.5	-33.1	178.9	-70.9	168.9	139.1	0	0	113.1	I198 T199 D205	I198-E202 HydrophobicContact CD1-CB 4.25Å; I198-E202 HydrophobicContact CG1-CB 3.9Å; T199-E202 PolarHBondContact N-OE2 2.78Å; T199-E202 PolarHBondContact O-N 3.02Å; T199-E202 WeakPolarHBondContact OG1-CB 3.31Å; T199-E202 VanDerWaalsContact OG1-CD 3.3Å; T199-E202 WeakPolarHBondContact OG1-CG 3.39Å; T199-E202 PolarHBondContact OG1-N 3.11Å; T199-E202 PolarHBondContact OG1-OE2 3.25Å; E202-D205 WeakPolarHBondContact O-CB 3.11Å
203	L	79.6	Confident	77.7	Confident	4 Å²	4	68 Å²	68	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-69.6	-34.5	178.1	-171.4	67.5	0	0	0	112.1	V111 L141 L166 I198 T199 W200 Q201 D205 V211 I216	V111-L203 HydrophobicContact CG1-CD2 4.08Å; L141-L203 HydrophobicContact CD2-CD2 4.4Å; L166-L203 HydrophobicContact CD2-CD1 3.79Å; I198-L203 HydrophobicContact CD1-CB 4.35Å; I198-L203 HydrophobicContact CD1-CD1 4.15Å; I198-L203 HydrophobicContact CG1-CB 4.41Å; I198-L203 HydrophobicContact CG2-CB 4.37Å; I198-L203 HydrophobicContact CG2-CD1 4.09Å; T199-L203 WeakPolarHBondContact O-CB 3.3Å; T199-L203 PolarHBondContact O-N 2.88Å; W200-L203 HydrophobicContact CE3-CD2 4Å; W200-L203 HydrophobicContact CZ3-CD2 3.92Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 2.79Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-V211 HydrophobicContact CD1-CG2 4.32Å; L203-V211 HydrophobicContact CG-CG2 4.02Å; L203-V211 WeakPolarHBondContact O-CG2 3.36Å; L203-I216 HydrophobicContact CD1-CG2 4.13Å
204	K	74.3	Confident	77	Confident	124 Å²	124	70.1 Å²	70.1	54%	0.539	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.2	-179.7	-70.1	177.7	-178.3	178.3	0	113.7	W200 Q201 S206	W200-K204 WeakPolarHBondContact O-CB 3.37Å; W200-K204 VanDerWaalsContact O-CG 3.26Å; W200-K204 WeakPolarHBondContact O-CG 3.42Å; W200-K204 PolarHBondContact O-N 2.83Å; Q201-K204 PolarHBondContact O-N 3.3Å; K204-S206 PolarHBondContact O-N 2.69Å
205	D	76.2	Confident	76.8	Confident	56 Å²	56	68.5 Å²	68.5	30%	0.299	36%	0.357	S	S	.	.			trans	-64.5	114	178.3	-172.4	-11.2	0	0	0	110.5	Q201 E202 L203 E207 K208	Q201-D205 PolarHBondContact O-N 2.83Å; E202-D205 WeakPolarHBondContact O-CB 3.11Å; L203-D205 VanDerWaalsContact C-N 3.34Å; D205-E207 PolarHBondContact O-N 3.16Å; D205-E207 WeakPolarHBondContact OD1-CB 3.39Å; D205-E207 PolarHBondContact OD1-N 2.94Å; D205-K208 HydrophobicContact CB-CB 4.44Å; D205-K208 HydrophobicContact CB-CD 4.35Å; D205-K208 HydrophobicContact CB-CG 4.2Å; D205-K208 PolarHBondContact O-N 2.73Å; D205-K208 WeakPolarHBondContact OD2-CE 3.39Å
206	S	64.2	Low	76.9	Confident	107 Å²	107	65.1 Å²	65.1	75%	0.748	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.4	-179.9	50.8	0	0	0	0	112.8	K204	K204-S206 PolarHBondContact O-N 2.69Å
207	E	64.6	Low	77	Confident	153 Å²	153	62.1 Å²	62.1	72%	0.715	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.5	178.7	-66.2	-156.9	155.9	0	0	112.9	K170 D205	K170-E207 WeakPolarHBondContact CE-O 3.33Å; K170-E207 PolarHBondContact NZ-O 3.18Å; D205-E207 PolarHBondContact O-N 3.16Å; D205-E207 WeakPolarHBondContact OD1-CB 3.39Å; D205-E207 PolarHBondContact OD1-N 2.94Å
208	K	65.9	Low	77.2	Confident	76 Å²	76	62.1 Å²	62.1	33%	0.33	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-14.6	-176.3	-59.9	-172.7	-174.3	179.2	0	114.3	C168 D205 Y210	C168-K208 PolarHBondContact SG-O 3.37Å; D205-K208 HydrophobicContact CB-CB 4.44Å; D205-K208 HydrophobicContact CB-CD 4.35Å; D205-K208 HydrophobicContact CB-CG 4.2Å; D205-K208 PolarHBondContact O-N 2.73Å; D205-K208 WeakPolarHBondContact OD2-CE 3.39Å; K208-Y210 VanDerWaalsContact C-N 3.27Å; K208-Y210 HydrophobicContact CB-CD2 3.65Å; K208-Y210 HydrophobicContact CB-CE2 3.42Å; K208-Y210 VanDerWaalsContact CB-CE2 3.42Å; K208-Y210 HydrophobicContact CD-CD2 4.47Å; K208-Y210 HydrophobicContact CD-CE2 3.73Å; K208-Y210 HydrophobicContact CG-CE2 4.16Å; K208-Y210 PolarHBondContact O-N 3.08Å; K208-Y210 VanDerWaalsContact O-N 3.16Å
209	S	72.4	Confident	77.5	Confident	36 Å²	36	63.2 Å²	63.2	25%	0.252	32%	0.324	S	S	.	.			trans	50.7	36.5	172.7	-51	0	0	0	0	115.6	H169 K170	H169-S209 PolarHBondContact N-O 3.04Å; H169-S209 VanDerWaalsContact N-O 3.11Å; K170-S209 WeakPolarHBondContact CE-OG 3.2Å
210	Y	76	Confident	77.7	Confident	29 Å²	29	60.9 Å²	60.9	11%	0.114	31%	0.309	C	S	.	.			trans	-76.5	-27.9	174.5	-64	-57.3	0	0	0	113.2	L166 C168 H169 F176 I198 K208	L166-Y210 HydrophobicContact CD2-CD1 3.97Å; L166-Y210 HydrophobicContact CD2-CD2 4.38Å; L166-Y210 HydrophobicContact CD2-CG 3.88Å; L166-Y210 HydrophobicContact CG-CD1 4.09Å; L166-Y210 HydrophobicContact CG-CG 4.41Å; C168-Y210 HydrophobicContact CB-CD1 4.17Å; C168-Y210 HydrophobicContact CB-CE1 4Å; H169-Y210 PolarHBondContact CE1-O 2.83Å; H169-Y210 PolarHBondContact ND1-O 3.15Å; F176-Y210 HydrophobicContact CB-CE1 3.82Å; I198-Y210 HydrophobicContact CD1-CD2 4.15Å; I198-Y210 HydrophobicContact CD1-CE2 4.26Å; K208-Y210 VanDerWaalsContact C-N 3.27Å; K208-Y210 HydrophobicContact CB-CD2 3.65Å; K208-Y210 HydrophobicContact CB-CE2 3.42Å; K208-Y210 VanDerWaalsContact CB-CE2 3.42Å; K208-Y210 HydrophobicContact CD-CD2 4.47Å; K208-Y210 HydrophobicContact CD-CE2 3.73Å; K208-Y210 HydrophobicContact CG-CE2 4.16Å; K208-Y210 PolarHBondContact O-N 3.08Å; K208-Y210 VanDerWaalsContact O-N 3.16Å
211	V	76.5	Confident	78	Confident	48 Å²	48	60.7 Å²	60.7	29%	0.291	31%	0.31	S	S	.	.			trans	-100	124	178.4	-179.1	0	0	0	0	109.7	L203 S215 I216	L203-V211 HydrophobicContact CD1-CG2 4.32Å; L203-V211 HydrophobicContact CG-CG2 4.02Å; L203-V211 WeakPolarHBondContact O-CG2 3.36Å; V211-S215 WeakPolarHBondContact CA-O 3.44Å; V211-I216 HydrophobicContact CG2-CG2 3.83Å
212	H	72.7	Confident	78.4	Confident	92 Å²	92	52.5 Å²	52.5	43%	0.426	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-128.3	129.4	174.2	-172.1	75.8	0	0	0	109.2	H169 N214 S215	H169-H212 HydrophobicContact CB-CB 4.13Å; H169-H212 WeakPolarHBondContact CD2-CB 3.27Å; H169-H212 AromaticContact CD2-CG 3.84Å; H212-N214 VanDerWaalsContact C-N 3.26Å; H212-N214 PolarHBondContact O-N 2.96Å; H212-S215 PolarHBondContact N-O 3.02Å; H212-S215 PolarHBondContact O-N 2.75Å; H212-S215 PolarHBondContact O-OG 2.96Å
213	N	69.1	Low	78.6	Confident	137 Å²	137	51.6 Å²	51.6	73%	0.733	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	42.5	-176.7	-61.2	-20.8	0	0	0	114	S215	N213-S215 PolarHBondContact O-N 3.45Å
214	N	75.4	Confident	78.8	Confident	62 Å²	62	51.5 Å²	51.5	33%	0.332	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	20.5	-177.2	-149.7	37.1	0	0	0	114.8	N110 V111 H212	N110-N214 VanDerWaalsContact CA-O 3.32Å; N110-N214 WeakPolarHBondContact CA-O 3.46Å; N110-N214 PolarHBondContact N-O 3.23Å; N110-N214 PolarHBondContact OD1-ND2 3.16Å; V111-N214 PolarHBondContact N-O 3.09Å; H212-N214 VanDerWaalsContact C-N 3.26Å; H212-N214 PolarHBondContact O-N 2.96Å
215	S	81.2	Confident	79.2	Confident	20 Å²	20	48.1 Å²	48.1	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.1	180	73.6	0	0	0	0	112	V108 V211 H212 N213	V108-S215 VanDerWaalsContact O-CA 3.24Å; V108-S215 WeakPolarHBondContact O-CA 3.04Å; V108-S215 WeakPolarHBondContact O-CB 3.38Å; V211-S215 WeakPolarHBondContact CA-O 3.44Å; H212-S215 PolarHBondContact N-O 3.02Å; H212-S215 PolarHBondContact O-N 2.75Å; H212-S215 PolarHBondContact O-OG 2.96Å; N213-S215 PolarHBondContact O-N 3.45Å
216	I	85.9	Confident	79.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.3	171.6	68.9	-178.5	0	0	0	109.7	T107 V108 V111 L141 L166 L203 V211 L218	T107-I216 CarbonylContact C-O 3.45Å; T107-I216 VanDerWaalsContact CA-O 3.3Å; T107-I216 WeakPolarHBondContact CA-O 3.49Å; V108-I216 HydrophobicContact CB-CG1 4.01Å; V108-I216 HydrophobicContact CG2-CG1 4.43Å; V108-I216 PolarHBondContact N-O 3.31Å; V108-I216 PolarHBondContact O-N 2.94Å; V108-I216 VanDerWaalsContact O-N 3.08Å; V111-I216 HydrophobicContact CG1-CD1 3.9Å; V111-I216 HydrophobicContact CG1-CG1 4.46Å; V111-I216 HydrophobicContact CG1-CG2 4.46Å; V111-I216 HydrophobicContact CG2-CB 4.11Å; V111-I216 HydrophobicContact CG2-CD1 3.95Å; V111-I216 HydrophobicContact CG2-CG1 3.6Å; V111-I216 HydrophobicContact CG2-CG2 3.88Å; L141-I216 HydrophobicContact CD2-CD1 3.47Å; L141-I216 VanDerWaalsContact CD2-CD1 3.47Å; L166-I216 HydrophobicContact CD1-CB 4.01Å; L166-I216 HydrophobicContact CD1-CD1 4.44Å; L203-I216 HydrophobicContact CD1-CG2 4.13Å; V211-I216 HydrophobicContact CG2-CG2 3.83Å; I216-L218 HydrophobicContact CD1-CD1 4.39Å; I216-L218 HydrophobicContact CD1-CD2 4.2Å; I216-L218 HydrophobicContact CD1-CG 4.2Å; I216-L218 HydrophobicContact CG1-CG 4.43Å
217	T	85.8	Confident	80.1	Confident	21 Å²	21	40.8 Å²	40.8	13%	0.129	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.9	175.5	-53.8	0	0	0	0	109.5	K167	K167-T217 HydrophobicContact CD-CG2 4.18Å; K167-T217 PolarHBondContact N-O 3.38Å
218	L	88.9	Confident	80.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.1	174.1	-61.8	172.8	0	0	0	108.9	S105 F106 V108 I132 V134 F143 L166 I216	S105-L218 CarbonylContact C-O 3.53Å; S105-L218 WeakPolarHBondContact CA-O 3.2Å; S105-L218 VanDerWaalsContact CB-O 3.25Å; S105-L218 WeakPolarHBondContact CB-O 3.42Å; F106-L218 PolarHBondContact N-O 2.85Å; F106-L218 PolarHBondContact O-N 3.42Å; V108-L218 HydrophobicContact CG2-CD1 4.31Å; I132-L218 HydrophobicContact CG2-CB 4.42Å; I132-L218 HydrophobicContact CG2-CD1 4.19Å; V134-L218 HydrophobicContact CB-CD1 4.5Å; V134-L218 HydrophobicContact CG1-CD1 4.43Å; V134-L218 HydrophobicContact CG2-CD1 3.28Å; F143-L218 HydrophobicContact CD1-CD2 3.85Å; F143-L218 HydrophobicContact CD2-CD1 4.1Å; F143-L218 HydrophobicContact CE1-CB 4.07Å; F143-L218 HydrophobicContact CE1-CD2 3.82Å; F143-L218 HydrophobicContact CE1-CG 4.37Å; F143-L218 HydrophobicContact CE2-CB 4.2Å; F143-L218 HydrophobicContact CE2-CD1 4.23Å; F143-L218 HydrophobicContact CG-CD1 4.29Å; F143-L218 HydrophobicContact CG-CD2 4.36Å; F143-L218 HydrophobicContact CZ-CB 3.77Å; F143-L218 HydrophobicContact CZ-CD1 4.45Å; F143-L218 HydrophobicContact CZ-CD2 4.34Å; F143-L218 HydrophobicContact CZ-CG 4.41Å; L166-L218 HydrophobicContact CB-CD2 4.3Å; L166-L218 HydrophobicContact CD1-CD2 3.71Å; I216-L218 HydrophobicContact CD1-CD1 4.39Å; I216-L218 HydrophobicContact CD1-CD2 4.2Å; I216-L218 HydrophobicContact CD1-CG 4.2Å; I216-L218 HydrophobicContact CG1-CG 4.43Å
219	E	90.6	Very high	80.5	Confident	25 Å²	25	34.4 Å²	34.4	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.9	178.3	-179.5	-179.9	80.4	0	0	109.2	T103 F104 R165 K167	T103-E219 HydrophobicContact CG2-CG 3.45Å; T103-E219 VanDerWaalsContact CG2-CG 3.45Å; F104-E219 WeakPolarHBondContact O-CA 3.41Å; R165-E219 HydrophobicContact CB-CB 4.3Å; R165-E219 PolarHBondContact N-O 2.96Å; R165-E219 IonicContact NH1-OE1 2.89Å; R165-E219 PolarHBondContact O-N 3.41Å; K167-E219 WeakPolarHBondContact CE-OE2 3.41Å; K167-E219 IonicContact NZ-OE2 2.69Å; K167-E219 PolarHBondContact NZ-OE2 2.99Å
220	V	89.8	Confident	80.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.2	172.9	177	0	0	0	0	108.5	T103 F104 I132 F143 L145 A162 E163 L164 V222	T103-V220 VanDerWaalsContact CA-O 3.31Å; T103-V220 WeakPolarHBondContact CA-O 3.48Å; F104-V220 HydrophobicContact CE1-CB 4.19Å; F104-V220 HydrophobicContact CE1-CG1 4.27Å; F104-V220 HydrophobicContact CZ-CB 4.28Å; F104-V220 HydrophobicContact CZ-CG1 4.49Å; F104-V220 PolarHBondContact N-O 3.24Å; F104-V220 PolarHBondContact O-N 2.91Å; I132-V220 HydrophobicContact CD1-CB 4.31Å; I132-V220 HydrophobicContact CD1-CG2 3.84Å; I132-V220 HydrophobicContact CG1-CB 4.29Å; I132-V220 HydrophobicContact CG1-CG2 3.57Å; F143-V220 HydrophobicContact CE2-CG2 3.77Å; F143-V220 HydrophobicContact CZ-CG2 3.49Å; F143-V220 VanDerWaalsContact CZ-CG2 3.49Å; L145-V220 HydrophobicContact CD1-CG1 4.04Å; L145-V220 HydrophobicContact CD2-CG1 4.01Å; A162-V220 HydrophobicContact CB-CG1 4.03Å; E163-V220 WeakPolarHBondContact O-CA 3.35Å; L164-V220 HydrophobicContact CG-CG2 4.15Å; V220-V222 HydrophobicContact CG1-CB 4.29Å
221	H	89	Confident	79.6	Confident	43 Å²	43	42.4 Å²	42.4	20%	0.199	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115	162.8	-179.8	67.4	0	0	0	108.3	T102 T103 A162 E163	T102-H221 CarbonylContact O-C 3.55Å; T102-H221 WeakPolarHBondContact O-CA 3.37Å; T102-H221 PolarHBondContact O-ND1 2.92Å; T103-H221 HydrophobicContact CG2-CB 4.43Å; T103-H221 PolarHBondContact OG1-ND1 2.97Å; A162-H221 CarbonylContact C-O 3.6Å; A162-H221 WeakPolarHBondContact CA-O 3.33Å; E163-H221 HydrophobicContact CB-CB 4.37Å; E163-H221 PolarHBondContact N-O 2.79Å; E163-H221 PolarHBondContact O-N 2.93Å
222	V	87.9	Confident	79.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.5	-178.7	63.4	0	0	0	0	110.2	E101 T102 F104 V125 W130 L145 A160 A162 V220	E101-V222 CarbonylContact C-O 3.39Å; E101-V222 WeakPolarHBondContact CA-O 3.32Å; T102-V222 HydrophobicContact CG2-CG1 3.73Å; T102-V222 PolarHBondContact N-O 3.17Å; T102-V222 PolarHBondContact O-N 3Å; F104-V222 HydrophobicContact CE1-CG1 3.89Å; V125-V222 HydrophobicContact CG2-CG1 3.92Å; W130-V222 HydrophobicContact CD2-CG2 4.36Å; W130-V222 HydrophobicContact CE3-CG2 4.03Å; W130-V222 HydrophobicContact CH2-CG2 4.19Å; W130-V222 HydrophobicContact CZ2-CG2 4.48Å; W130-V222 HydrophobicContact CZ3-CG2 3.93Å; L145-V222 HydrophobicContact CD2-CB 4.35Å; L145-V222 HydrophobicContact CD2-CG2 4.06Å; A160-V222 HydrophobicContact CB-CG2 4.08Å; A162-V222 HydrophobicContact CB-CB 4.17Å; A162-V222 HydrophobicContact CB-CG2 4.17Å; V220-V222 HydrophobicContact CG1-CB 4.29Å
223	V	84.8	Confident	79.3	Confident	50 Å²	50	40.4 Å²	40.4	30%	0.303	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.9	169.6	-175.4	0	0	0	0	106.8	S100 E101 A160 I161	S100-V223 CarbonylContact O-C 3.46Å; S100-V223 WeakPolarHBondContact O-CA 3.46Å; E101-V223 HydrophobicContact CB-CB 4.38Å; E101-V223 HydrophobicContact CB-CG1 4.43Å; E101-V223 HydrophobicContact CB-CG2 3.85Å; A160-V223 CarbonylContact C-O 3.52Å; A160-V223 VanDerWaalsContact CA-O 3.24Å; A160-V223 WeakPolarHBondContact CA-O 3.36Å; A160-V223 WeakPolarHBondContact CB-O 3.42Å; I161-V223 PolarHBondContact N-O 2.86Å; I161-V223 PolarHBondContact O-N 3.17Å
224	A	83.7	Confident	79.9	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.3	-173.4	0	0	0	0	0	112.5	S100 V125 R126 W130 A160	S100-A224 PolarHBondContact O-N 3.3Å; V125-A224 HydrophobicContact CG1-CB 3.93Å; R126-A224 HydrophobicContact CG-CB 4.16Å; R126-A224 WeakPolarHBondContact CG-O 3.34Å; R126-A224 PolarHBondContact NE-O 3.33Å; W130-A224 HydrophobicContact CH2-CB 4.4Å; W130-A224 HydrophobicContact CZ2-CB 3.71Å; A160-A224 HydrophobicContact CB-CB 3.99Å
225	D	81.8	Confident	80.2	Confident	54 Å²	54	33.8 Å²	33.8	29%	0.289	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-71.1	158.6	170.3	-67.3	-20.9	0	0	0	110.3	C158 N159	C158-D225 PolarHBondContact SG-O 2.85Å; N159-D225 HydrophobicContact CB-CB 4.31Å; N159-D225 WeakPolarHBondContact CB-OD2 3.3Å; N159-D225 PolarHBondContact ND2-OD2 3.01Å; N159-D225 WeakPolarHBondContact O-CB 3.48Å; N159-D225 PolarHBondContact O-N 2.8Å
226	A	79	Confident	80.1	Confident	6 Å²	6	40.8 Å²	40.8	5%	0.05	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-60.9	132.5	174.3	0	0	0	0	0	110.4	W232 V510	A226-W232 HydrophobicContact CB-CZ2 4.23Å; A226-V510 HydrophobicContact CB-CG1 3.57Å
227	P	80.2	Confident	79.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.013	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-76.4	142.1	-174	30.8	-36.5	0	0	0	111.9	L128 S157 C158 V230 W232	L128-P227 HydrophobicContact CD1-CB 3.74Å; L128-P227 HydrophobicContact CD1-CG 4.31Å; L128-P227 HydrophobicContact CG-CB 4.23Å; L128-P227 HydrophobicContact CG-CG 4.3Å; S157-P227 CarbonylContact O-C 3.57Å; S157-P227 VanDerWaalsContact O-CA 3.26Å; S157-P227 WeakPolarHBondContact O-CA 3.43Å; C158-P227 HydrophobicContact CB-CB 4.16Å; P227-V230 HydrophobicContact CB-CG2 4.09Å; P227-W232 HydrophobicContact CG-CE3 4.07Å
228	H	76.1	Confident	79.3	Confident	57 Å²	57	44.1 Å²	44.1	26%	0.264	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-93.5	151.8	172.8	-65.3	72.5	0	0	0	110.1	W156 S157 V230 D509	W156-H228 WeakPolarHBondContact CA-O 3.37Å; S157-H228 PolarHBondContact N-O 2.87Å; S157-H228 PolarHBondContact O-N 2.73Å; H228-V230 PolarHBondContact O-N 3.13Å; H228-V230 VanDerWaalsContact O-N 3.08Å; H228-D509 IonicContact CD2-OD1 2.82Å
229	G	62.8	Low	79.1	Confident	38 Å²	38	45.9 Å²	45.9	39%	0.392	25%	0.248	S	C	.	.	S	Bend	trans	61.1	18.9	170.2	0	0	0	0	0	117.1	T155	T155-G229 VanDerWaalsContact O-CA 3.31Å; T155-G229 WeakPolarHBondContact O-CA 3.41Å; T155-G229 PolarHBondContact OG1-O 3.09Å
230	V	65.6	Low	79.1	Confident	51 Å²	51	46.7 Å²	46.7	31%	0.309	25%	0.25	S	S	.	.	S	Bend	trans	-103.8	172.8	163.5	-163.9	0	0	0	0	107.9	L128 W156 P227 H228 W232	L128-V230 HydrophobicContact CD2-CG1 4.39Å; L128-V230 HydrophobicContact CD2-CG2 4.15Å; W156-V230 HydrophobicContact CB-CG2 3.36Å; W156-V230 HydrophobicContact CG-CG2 4.24Å; P227-V230 HydrophobicContact CB-CG2 4.09Å; H228-V230 PolarHBondContact O-N 3.13Å; H228-V230 VanDerWaalsContact O-N 3.08Å; V230-W232 PolarHBondContact O-N 2.96Å
231	L	64.1	Low	79.3	Confident	182 Å²	182	46.9 Å²	46.9	95%	0.953	25%	0.252	S	S	*	.	S	Bend	trans	-65.9	56.7	167.3	-75.3	154.2	0	0	0	111.8	D233	L231-D233 PolarHBondContact O-N 2.57Å
232	W	69.9	Low	79.4	Confident	35 Å²	35	44.9 Å²	44.9	13%	0.133	24%	0.242	C	C	.	.			trans	-81.1	107.3	170	-178.8	-97.8	0	0	0	109.1	A226 P227 V230 S234 H237 V511	A226-W232 HydrophobicContact CB-CZ2 4.23Å; P227-W232 HydrophobicContact CG-CE3 4.07Å; V230-W232 PolarHBondContact O-N 2.96Å; W232-S234 VanDerWaalsContact CD1-OG 3.29Å; W232-S234 PolarHBondContact NE1-OG 2.88Å; W232-S234 PolarHBondContact O-N 2.9Å; W232-H237 HydrophobicContact CZ2-CB 4.43Å; W232-V511 PolarHBondContact NE1-O 2.79Å; W232-V511 VanDerWaalsContact NE1-O 3.09Å
233	D	73.7	Confident	79.7	Confident	64 Å²	64	44.9 Å²	44.9	34%	0.342	24%	0.242	S	C	.	.			trans	-89.3	84.9	177.7	-173	-23.7	0	0	0	110.3	L231 K235 K236 H237	L231-D233 PolarHBondContact O-N 2.57Å; D233-K235 PolarHBondContact O-N 3.16Å; D233-K235 VanDerWaalsContact O-N 3.14Å; D233-K235 WeakPolarHBondContact OD1-CB 3.37Å; D233-K235 PolarHBondContact OD1-N 2.8Å; D233-K236 HydrophobicContact CB-CB 4.06Å; D233-K236 PolarHBondContact O-N 2.88Å; D233-K236 PolarHBondContact OD1-N 2.85Å; D233-H237 PolarHBondContact O-N 3.17Å; D233-H237 PolarHBondContact O-ND1 2.82Å
234	S	81.8	Confident	79.9	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-49.9	-39.3	179.4	-64	0	0	0	0	112.9	W232 H237 T238 Y240 V511	W232-S234 VanDerWaalsContact CD1-OG 3.29Å; W232-S234 PolarHBondContact NE1-OG 2.88Å; W232-S234 PolarHBondContact O-N 2.9Å; S234-H237 PolarHBondContact O-N 3.04Å; S234-T238 PolarHBondContact O-N 3.21Å; S234-T238 PolarHBondContact O-OG1 3.29Å; S234-Y240 CarbonylContact C-O 3.55Å; S234-Y240 WeakPolarHBondContact CB-O 3.47Å; S234-Y240 VanDerWaalsContact O-O 3.12Å; S234-V511 PolarHBondContact OG-N 3.34Å
235	K	82.3	Confident	80	Confident	53 Å²	53	50.1 Å²	50.1	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-48.7	-176.3	-171.1	73.7	-178.9	179.4	0	111	D233 H237 G239 Y240 V241 Q295	D233-K235 PolarHBondContact O-N 3.16Å; D233-K235 VanDerWaalsContact O-N 3.14Å; D233-K235 WeakPolarHBondContact OD1-CB 3.37Å; D233-K235 PolarHBondContact OD1-N 2.8Å; K235-H237 VanDerWaalsContact C-N 3.26Å; K235-H237 PolarHBondContact O-N 2.93Å; K235-G239 WeakPolarHBondContact CD-O 3.47Å; K235-G239 VanDerWaalsContact CE-O 3.28Å; K235-G239 WeakPolarHBondContact CE-O 3.46Å; K235-G239 PolarHBondContact NZ-O 3.3Å; K235-G239 WeakPolarHBondContact O-CA 3.24Å; K235-G239 PolarHBondContact O-N 3.16Å; K235-Y240 VanDerWaalsContact CA-O 3.31Å; K235-Y240 WeakPolarHBondContact CA-O 3.41Å; K235-Y240 PolarHBondContact N-O 2.89Å; K235-Y240 VanDerWaalsContact N-O 3.16Å; K235-V241 HydrophobicContact CB-CG1 3.75Å; K235-V241 HydrophobicContact CD-CG1 3.9Å; K235-V241 HydrophobicContact CG-CG1 4.32Å; K235-Q295 PolarHBondContact NZ-O 2.88Å; K235-Q295 VanDerWaalsContact NZ-O 3.16Å
236	K	78.6	Confident	79.9	Confident	167 Å²	167	49.5 Å²	49.5	73%	0.726	26%	0.259	S	S	*	.	H	α-helix	trans	-60.9	-35.5	-179.4	-174.1	179.3	178.7	-176.2	0	112.8	D233	D233-K236 HydrophobicContact CB-CB 4.06Å; D233-K236 PolarHBondContact O-N 2.88Å; D233-K236 PolarHBondContact OD1-N 2.85Å
237	H	72.8	Confident	79.9	Confident	74 Å²	74	51.1 Å²	51.1	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-91.9	-32.3	-172.7	-60.1	91.4	0	0	0	113.8	F98 W232 D233 S234 K235	F98-H237 AromaticContact CD1-CD2 3.85Å; F98-H237 AromaticContact CD1-NE2 3.74Å; F98-H237 AromaticContact CE1-CD2 3.89Å; F98-H237 AromaticContact CE1-NE2 3.35Å; F98-H237 WeakPolarHBondContact CE1-NE2 3.33Å; W232-H237 HydrophobicContact CZ2-CB 4.43Å; D233-H237 PolarHBondContact O-N 3.17Å; D233-H237 PolarHBondContact O-ND1 2.82Å; S234-H237 PolarHBondContact O-N 3.04Å; K235-H237 VanDerWaalsContact C-N 3.26Å; K235-H237 PolarHBondContact O-N 2.93Å
238	T	81.8	Confident	79.9	Confident	17 Å²	17	51.6 Å²	51.6	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-116.1	-15.6	-174.1	68.7	0	0	0	0	113.5	S234 Y240 F504 V511	S234-T238 PolarHBondContact O-N 3.21Å; S234-T238 PolarHBondContact O-OG1 3.29Å; T238-Y240 WeakPolarHBondContact O-CD2 3.42Å; T238-Y240 WeakPolarHBondContact O-CE2 3.45Å; T238-Y240 PolarHBondContact OG1-N 3.12Å; T238-Y240 PolarHBondContact OG1-O 3.28Å; T238-F504 HydrophobicContact CG2-CD1 4.11Å; T238-F504 HydrophobicContact CG2-CE1 4.33Å; T238-V511 HydrophobicContact CG2-CB 4.47Å; T238-V511 HydrophobicContact CG2-CG1 4.18Å
239	G	84.7	Confident	80.5	Confident	37 Å²	37	48.9 Å²	48.9	38%	0.381	27%	0.267	S	S	.	.	S	Bend	trans	83.4	-6.4	-168.2	0	0	0	0	0	114	K235	K235-G239 WeakPolarHBondContact CD-O 3.47Å; K235-G239 VanDerWaalsContact CE-O 3.28Å; K235-G239 WeakPolarHBondContact CE-O 3.46Å; K235-G239 PolarHBondContact NZ-O 3.3Å; K235-G239 WeakPolarHBondContact O-CA 3.24Å; K235-G239 PolarHBondContact O-N 3.16Å
240	Y	91.4	Very high	81.7	Confident	43 Å²	43	47.3 Å²	47.3	17%	0.169	25%	0.25	C	S	.	.			trans	-126.4	158.3	-172.9	-50.2	-68	0	0	0	112.6	S234 K235 T238 F261 P497 F504 F506	S234-Y240 CarbonylContact C-O 3.55Å; S234-Y240 WeakPolarHBondContact CB-O 3.47Å; S234-Y240 VanDerWaalsContact O-O 3.12Å; K235-Y240 VanDerWaalsContact CA-O 3.31Å; K235-Y240 WeakPolarHBondContact CA-O 3.41Å; K235-Y240 PolarHBondContact N-O 2.89Å; K235-Y240 VanDerWaalsContact N-O 3.16Å; T238-Y240 WeakPolarHBondContact O-CD2 3.42Å; T238-Y240 WeakPolarHBondContact O-CE2 3.45Å; T238-Y240 PolarHBondContact OG1-N 3.12Å; T238-Y240 PolarHBondContact OG1-O 3.28Å; Y240-F261 AromaticContact CD1-CE1 3.66Å; Y240-F261 HydrophobicContact CD1-CE1 3.66Å; Y240-F261 AromaticContact CD1-CZ 3.63Å; Y240-F261 HydrophobicContact CD1-CZ 3.63Å; Y240-F261 AromaticContact CE1-CE1 3.54Å; Y240-F261 HydrophobicContact CE1-CE1 3.54Å; Y240-F261 AromaticContact CE1-CZ 3.97Å; Y240-F261 HydrophobicContact CE1-CZ 3.97Å; Y240-F261 HydrophobicContact CG-CE1 4.41Å; Y240-F261 AromaticContact CG-CZ 4Å; Y240-F261 HydrophobicContact CG-CZ 4Å; Y240-P497 HydrophobicContact CE2-CG 4.03Å; Y240-F504 HydrophobicContact CD2-CD1 4.39Å; Y240-F504 HydrophobicContact CD2-CE1 4.49Å; Y240-F504 HydrophobicContact CD2-CG 4.4Å; Y240-F504 HydrophobicContact CE2-CD2 4.07Å; Y240-F504 HydrophobicContact CE2-CE1 4.33Å; Y240-F504 AromaticContact CE2-CE2 3.89Å; Y240-F504 HydrophobicContact CE2-CE2 3.89Å; Y240-F504 HydrophobicContact CE2-CG 4.37Å; Y240-F504 HydrophobicContact CE2-CZ 4.02Å; Y240-F506 HydrophobicContact CD2-CZ 4.27Å; Y240-F506 HydrophobicContact CG-CE1 4.46Å; Y240-F506 HydrophobicContact CG-CZ 4.28Å
241	V	92.5	Very high	82.8	Confident	4 Å²	4	45 Å²	45	2%	0.024	24%	0.236	C	C	.	.			trans	-118.6	152	177.8	-74.7	0	0	0	0	111.7	K235 Q257 L294 G297 V301	K235-V241 HydrophobicContact CB-CG1 3.75Å; K235-V241 HydrophobicContact CD-CG1 3.9Å; K235-V241 HydrophobicContact CG-CG1 4.32Å; V241-Q257 PolarHBondContact O-NE2 3Å; V241-L294 HydrophobicContact CG2-CD2 3.97Å; V241-L294 WeakPolarHBondContact CG2-O 3.47Å; V241-G297 WeakPolarHBondContact CG1-O 3.39Å; V241-V301 HydrophobicContact CG2-CG2 4.25Å
242	G	92.3	Very high	84.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.			trans	-84.9	-179.1	176.5	0	0	0	0	0	113.8	P300 V301 D508	G242-P300 VanDerWaalsContact O-CA 3.31Å; G242-P300 WeakPolarHBondContact O-CA 3.29Å; G242-V301 PolarHBondContact O-N 3.46Å; G242-D508 CarbonylContact C-O 3.59Å; G242-D508 WeakPolarHBondContact CA-O 3.26Å
243	L	93.4	Very high	85.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-116.5	134.4	175	-69.7	162.8	0	0	0	109.8	N245 N253 L256 Q257 V290 L294 V301 T303 D508 D509	L243-N245 PolarHBondContact O-N 3.45Å; L243-N253 HydrophobicContact CB-CB 4Å; L243-N253 WeakPolarHBondContact CB-OD1 3.28Å; L243-N253 HydrophobicContact CD1-CB 4.01Å; L243-N253 WeakPolarHBondContact CD1-O 3.46Å; L243-N253 PolarHBondContact O-ND2 3.24Å; L243-L256 HydrophobicContact CD1-CB 3.78Å; L243-L256 HydrophobicContact CD1-CD1 4.24Å; L243-Q257 HydrophobicContact CD1-CG 3.91Å; L243-V290 HydrophobicContact CD2-CG1 3.91Å; L243-L294 HydrophobicContact CD2-CD1 4.34Å; L243-L294 HydrophobicContact CD2-CD2 4Å; L243-L294 HydrophobicContact CD2-CG 4.33Å; L243-L294 HydrophobicContact CG-CD2 4.16Å; L243-V301 CarbonylContact C-O 3.58Å; L243-V301 WeakPolarHBondContact CA-O 3.5Å; L243-V301 HydrophobicContact CD2-CB 3.73Å; L243-V301 HydrophobicContact CD2-CG1 3.93Å; L243-T303 HydrophobicContact CD2-CG2 3.79Å; L243-D508 PolarHBondContact N-O 3.11Å; L243-D508 CarbonylContact O-C 3.51Å; L243-D508 WeakPolarHBondContact O-CA 3.11Å; L243-D509 PolarHBondContact O-N 2.83Å; L243-D509 VanDerWaalsContact O-N 3.12Å
244	K	89.8	Confident	86.4	Confident	102 Å²	102	31.9 Å²	31.9	44%	0.443	17%	0.17	S	C	.	.			trans	-67.7	128.9	178.3	-69.1	177	175.3	154.5	0	110.8	P300 V301	K244-P300 WeakPolarHBondContact CE-O 3.4Å; K244-P300 HydrophobicContact CG-CB 3.78Å; K244-P300 PolarHBondContact NZ-O 3.22Å; K244-V301 PolarHBondContact N-O 3.41Å
245	N	85.6	Confident	87	Confident	60 Å²	60	31.6 Å²	31.6	32%	0.321	17%	0.168	S	C	.	.			trans	-73.4	131.7	169.1	-164.8	-19.3	0	0	0	110.7	L243 G247 T249 D508	L243-N245 PolarHBondContact O-N 3.45Å; N245-G247 PolarHBondContact OD1-N 2.83Å; N245-G247 PolarHBondContact OD1-O 2.79Å; N245-T249 PolarHBondContact OD1-N 3.23Å; N245-T249 PolarHBondContact OD1-OG1 3.01Å; N245-D508 HydrophobicContact CB-CB 4.16Å; N245-D508 VanDerWaalsContact CB-OD2 3.32Å; N245-D508 WeakPolarHBondContact CB-OD2 3.49Å; N245-D508 PolarHBondContact ND2-OD2 3.41Å
246	Q	80.2	Confident	87.7	Confident	41 Å²	41	29.1 Å²	29.1	19%	0.192	16%	0.157	C	C	.	.			trans	-95.1	0.7	177.4	-58.9	-176.4	51.7	0	0	113.4	T249 T303 K304 T307	Q246-T249 HydrophobicContact CB-CG2 3.92Å; Q246-T249 HydrophobicContact CG-CG2 4.49Å; Q246-T249 PolarHBondContact N-OG1 2.87Å; Q246-T303 PolarHBondContact NE2-O 2.92Å; Q246-T303 VanDerWaalsContact NE2-O 3.16Å; Q246-T303 PolarHBondContact NE2-OG1 2.98Å; Q246-K304 HydrophobicContact CG-CG 4.34Å; Q246-K304 VanDerWaalsContact NE2-N 3.16Å; Q246-T307 PolarHBondContact OE1-OG1 2.95Å
247	G	78.6	Confident	88.6	Confident	40 Å²	40	21.3 Å²	21.3	41%	0.412	12%	0.123	S	C	.	.	S	Bend	trans	144.4	-76.5	-175.5	0	0	0	0	0	110.1	N245	N245-G247 PolarHBondContact OD1-N 2.83Å; N245-G247 PolarHBondContact OD1-O 2.79Å
248	A	80.6	Confident	89.7	Confident	11 Å²	11	17.8 Å²	17.8	9%	0.091	11%	0.107	C	C	.	.	S	Bend	trans	-122.4	25.8	-179.1	0	0	0	0	0	113	C250 Y251 S317 F318 Q320	A248-C250 PolarHBondContact O-N 2.86Å; A248-Y251 VanDerWaalsContact O-CD1 3.3Å; A248-Y251 WeakPolarHBondContact O-CD1 3.22Å; A248-Y251 WeakPolarHBondContact O-CE1 3.27Å; A248-S317 PolarHBondContact N-O 3.3Å; A248-S317 VanDerWaalsContact N-O 3.09Å; A248-F318 WeakPolarHBondContact CB-O 3.48Å; A248-Q320 HydrophobicContact CB-CG 4.1Å
249	T	87.1	Confident	90.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.			trans	-92.2	14.7	-170.7	60.1	0	0	0	0	114.6	N245 Q246 Y251 M252 N253	N245-T249 PolarHBondContact OD1-N 3.23Å; N245-T249 PolarHBondContact OD1-OG1 3.01Å; Q246-T249 HydrophobicContact CB-CG2 3.92Å; Q246-T249 HydrophobicContact CG-CG2 4.49Å; Q246-T249 PolarHBondContact N-OG1 2.87Å; T249-Y251 VanDerWaalsContact C-N 3.29Å; T249-Y251 PolarHBondContact O-N 2.82Å; T249-M252 HydrophobicContact CG2-CE 4.04Å; T249-M252 WeakPolarHBondContact O-CB 3.42Å; T249-M252 PolarHBondContact O-N 2.8Å; T249-M252 VanDerWaalsContact O-N 3.15Å; T249-N253 PolarHBondContact O-N 2.96Å
250	C	88.7	Confident	90.9	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.034	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-31.7	-175.3	52.5	0	0	0	0	113.2	A248 N253 S254 Y491	A248-C250 PolarHBondContact O-N 2.86Å; C250-N253 PolarHBondContact O-N 2.81Å; C250-S254 WeakPolarHBondContact O-CB 3.41Å; C250-S254 PolarHBondContact O-N 2.85Å; C250-S254 PolarHBondContact O-OG 2.68Å; C250-Y491 PolarHBondContact SG-N 3.16Å
251	Y	89.8	Confident	91.2	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-44.2	173.4	69.1	-90.4	0	0	0	111.3	A248 T249 L255 W312 H321 F326	A248-Y251 VanDerWaalsContact O-CD1 3.3Å; A248-Y251 WeakPolarHBondContact O-CD1 3.22Å; A248-Y251 WeakPolarHBondContact O-CE1 3.27Å; T249-Y251 VanDerWaalsContact C-N 3.29Å; T249-Y251 PolarHBondContact O-N 2.82Å; Y251-L255 PolarHBondContact O-N 2.85Å; Y251-L255 VanDerWaalsContact O-N 3.1Å; Y251-W312 HydrophobicContact CE2-CH2 4.35Å; Y251-W312 WeakPolarHBondContact OH-CH2 3.45Å; Y251-W312 WeakPolarHBondContact OH-CZ3 3.45Å; Y251-H321 HydrophobicContact CD2-CB 4.28Å; Y251-H321 HydrophobicContact CE1-CB 4.12Å; Y251-H321 HydrophobicContact CE2-CB 3.75Å; Y251-H321 AromaticContact CZ-CD2 3.83Å; Y251-H321 PolarHBondContact OH-CD2 2.79Å; Y251-F326 HydrophobicContact CD2-CB 4.39Å; Y251-F326 HydrophobicContact CD2-CD1 4.44Å; Y251-F326 HydrophobicContact CD2-CG 4.45Å; Y251-F326 HydrophobicContact CE2-CB 4.22Å; Y251-F326 HydrophobicContact CE2-CD1 4.33Å; Y251-F326 HydrophobicContact CE2-CD2 4.45Å; Y251-F326 HydrophobicContact CE2-CG 4.07Å
252	M	92.9	Very high	91.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.3	-43.2	177.1	174.3	179.8	64.4	0	0	110.4	T249 S254 L255 L256 T303 L306 T307 F326	T249-M252 HydrophobicContact CG2-CE 4.04Å; T249-M252 WeakPolarHBondContact O-CB 3.42Å; T249-M252 PolarHBondContact O-N 2.8Å; T249-M252 VanDerWaalsContact O-N 3.15Å; M252-S254 PolarHBondContact O-N 2.81Å; M252-L255 PolarHBondContact O-N 2.79Å; M252-L256 HydrophobicContact CG-CD1 3.64Å; M252-L256 HydrophobicContact CG-CG 4.06Å; M252-L256 WeakPolarHBondContact O-CB 3.5Å; M252-L256 WeakPolarHBondContact O-CG 3.45Å; M252-L256 PolarHBondContact O-N 3.22Å; M252-L256 HydrophobicContact SD-CD1 4.25Å; M252-T303 HydrophobicContact CE-CG2 4.28Å; M252-T303 WeakPolarHBondContact CE-OG1 3.28Å; M252-L306 HydrophobicContact SD-CD2 4.02Å; M252-T307 HydrophobicContact CE-CG2 3.57Å; M252-T307 HydrophobicContact SD-CG2 4.02Å; M252-F326 HydrophobicContact CB-CD1 4.41Å; M252-F326 HydrophobicContact CB-CE1 3.95Å; M252-F326 HydrophobicContact CB-CZ 4.31Å; M252-F326 HydrophobicContact CG-CE1 3.59Å; M252-F326 HydrophobicContact CG-CZ 3.68Å; M252-F326 HydrophobicContact SD-CE1 4.46Å; M252-F326 HydrophobicContact SD-CZ 3.94Å
253	N	94.5	Very high	91.5	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-60.6	-46.7	178.7	-70.4	-14.5	0	0	0	111.6	L243 T249 C250 L255 L256 Q257 D508	L243-N253 HydrophobicContact CB-CB 4Å; L243-N253 WeakPolarHBondContact CB-OD1 3.28Å; L243-N253 HydrophobicContact CD1-CB 4.01Å; L243-N253 WeakPolarHBondContact CD1-O 3.46Å; L243-N253 PolarHBondContact O-ND2 3.24Å; T249-N253 PolarHBondContact O-N 2.96Å; C250-N253 PolarHBondContact O-N 2.81Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 2.83Å; N253-L256 PolarHBondContact O-N 2.84Å; N253-Q257 WeakPolarHBondContact O-CG 3.32Å; N253-Q257 PolarHBondContact O-N 3.11Å; N253-D508 PolarHBondContact ND2-OD1 3.32Å
254	S	94.9	Very high	91.5	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-58.6	-43.8	176.8	-65.9	0	0	0	0	111.9	C250 M252 T258 Y491	C250-S254 WeakPolarHBondContact O-CB 3.41Å; C250-S254 PolarHBondContact O-N 2.85Å; C250-S254 PolarHBondContact O-OG 2.68Å; M252-S254 PolarHBondContact O-N 2.81Å; S254-T258 PolarHBondContact O-N 3.41Å; S254-T258 PolarHBondContact O-OG1 2.79Å; S254-Y491 PolarHBondContact OG-O 2.72Å
255	L	95.2	Very high	91.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-69.2	-42.8	177.9	-168.9	68.3	0	0	0	112.7	Y251 M252 N253 Q257 T258 L259 V323 F326 L327 L480	Y251-L255 PolarHBondContact O-N 2.85Å; Y251-L255 VanDerWaalsContact O-N 3.1Å; M252-L255 PolarHBondContact O-N 2.79Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 2.83Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 3.19Å; L255-T258 WeakPolarHBondContact O-CB 3.49Å; L255-T258 PolarHBondContact O-N 3.22Å; L255-T258 VanDerWaalsContact O-N 3.13Å; L255-L259 HydrophobicContact CD2-CD1 4.39Å; L255-L259 HydrophobicContact CG-CD1 4.13Å; L255-L259 HydrophobicContact CG-CG 4.37Å; L255-L259 WeakPolarHBondContact O-CG 3.31Å; L255-L259 PolarHBondContact O-N 2.87Å; L255-V323 HydrophobicContact CB-CG1 4.35Å; L255-V323 HydrophobicContact CD1-CG1 3.96Å; L255-F326 HydrophobicContact CD2-CD1 3.47Å; L255-F326 VanDerWaalsContact CD2-CD1 3.47Å; L255-F326 HydrophobicContact CD2-CE1 3.91Å; L255-F326 HydrophobicContact CD2-CG 4.49Å; L255-L327 HydrophobicContact CD1-CB 4.12Å; L255-L327 HydrophobicContact CD1-CD1 4.02Å; L255-L327 HydrophobicContact CD1-CD2 4.41Å; L255-L327 HydrophobicContact CD1-CG 4.38Å; L255-L327 HydrophobicContact CD2-CB 3.63Å; L255-L327 HydrophobicContact CD2-CD1 4.04Å; L255-L327 HydrophobicContact CD2-CG 4.41Å; L255-L327 HydrophobicContact CG-CD1 4.4Å; L255-L480 HydrophobicContact CD1-CD2 4.43Å
256	L	96.7	Very high	92.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.3	-40.6	-180	-75	172	0	0	0	111.9	L243 M252 N253 T258 L259 Y260 L287 T303 L306 L330	L243-L256 HydrophobicContact CD1-CB 3.78Å; L243-L256 HydrophobicContact CD1-CD1 4.24Å; M252-L256 HydrophobicContact CG-CD1 3.64Å; M252-L256 HydrophobicContact CG-CG 4.06Å; M252-L256 WeakPolarHBondContact O-CB 3.5Å; M252-L256 WeakPolarHBondContact O-CG 3.45Å; M252-L256 PolarHBondContact O-N 3.22Å; M252-L256 HydrophobicContact SD-CD1 4.25Å; N253-L256 PolarHBondContact O-N 2.84Å; L256-T258 VanDerWaalsContact C-N 3.35Å; L256-L259 PolarHBondContact O-N 3.05Å; L256-Y260 WeakPolarHBondContact O-CB 3.25Å; L256-Y260 PolarHBondContact O-N 3.08Å; L256-L287 HydrophobicContact CD2-CD1 3.5Å; L256-L287 VanDerWaalsContact CD2-CD1 3.5Å; L256-T303 HydrophobicContact CD1-CG2 3.83Å; L256-L306 HydrophobicContact CD1-CD2 3.64Å; L256-L306 HydrophobicContact CD2-CD2 3.91Å; L256-L306 HydrophobicContact CG-CD2 4.38Å; L256-L330 HydrophobicContact CD2-CD2 4.49Å
257	Q	96.4	Very high	92.8	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-62.1	-44.8	173	-68.3	-71.1	8.7	0	0	110.7	V241 L243 N253 L255 L259 Y260 F261 V493 I495 F506	V241-Q257 PolarHBondContact O-NE2 3Å; L243-Q257 HydrophobicContact CD1-CG 3.91Å; N253-Q257 WeakPolarHBondContact O-CG 3.32Å; N253-Q257 PolarHBondContact O-N 3.11Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 3.19Å; Q257-L259 PolarHBondContact O-N 3.31Å; Q257-Y260 WeakPolarHBondContact O-CB 3.4Å; Q257-Y260 PolarHBondContact O-N 2.85Å; Q257-F261 WeakPolarHBondContact O-CD2 3.3Å; Q257-F261 PolarHBondContact O-N 3.2Å; Q257-F261 VanDerWaalsContact O-N 3.07Å; Q257-V493 HydrophobicContact CB-CG1 4.08Å; Q257-I495 HydrophobicContact CB-CD1 3.81Å; Q257-F506 HydrophobicContact CG-CB 4.28Å; Q257-F506 HydrophobicContact CG-CD1 4.03Å; Q257-F506 HydrophobicContact CG-CG 4.32Å
258	T	96.4	Very high	93.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.1	-48.7	177.1	-55.2	0	0	0	0	111.8	S254 L255 L256 Y260 F261 T262 A478 L480 V544	S254-T258 PolarHBondContact O-N 3.41Å; S254-T258 PolarHBondContact O-OG1 2.79Å; L255-T258 WeakPolarHBondContact O-CB 3.49Å; L255-T258 PolarHBondContact O-N 3.22Å; L255-T258 VanDerWaalsContact O-N 3.13Å; L256-T258 VanDerWaalsContact C-N 3.35Å; T258-Y260 PolarHBondContact O-N 3.4Å; T258-F261 PolarHBondContact O-N 2.85Å; T258-T262 PolarHBondContact O-N 2.81Å; T258-T262 PolarHBondContact O-OG1 2.78Å; T258-A478 HydrophobicContact CG2-CB 4.01Å; T258-L480 HydrophobicContact CG2-CD1 4.36Å; T258-V544 HydrophobicContact CG2-CB 4.36Å; T258-V544 HydrophobicContact CG2-CG2 3.61Å
259	L	96.4	Very high	94	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-69.9	-31.6	178.8	-64.4	175.7	0	0	0	112.9	L255 L256 Q257 T262 L265 F291 L327 L330 F351	L255-L259 HydrophobicContact CD2-CD1 4.39Å; L255-L259 HydrophobicContact CG-CD1 4.13Å; L255-L259 HydrophobicContact CG-CG 4.37Å; L255-L259 WeakPolarHBondContact O-CG 3.31Å; L255-L259 PolarHBondContact O-N 2.87Å; L256-L259 PolarHBondContact O-N 3.05Å; Q257-L259 PolarHBondContact O-N 3.31Å; L259-T262 PolarHBondContact O-N 2.68Å; L259-L265 HydrophobicContact CB-CD2 4Å; L259-L265 HydrophobicContact CD2-CD2 3.73Å; L259-L265 HydrophobicContact CG-CD2 4.36Å; L259-F291 HydrophobicContact CB-CZ 4.24Å; L259-L327 HydrophobicContact CD1-CD1 4.22Å; L259-L327 HydrophobicContact CD2-CD1 4Å; L259-L330 HydrophobicContact CD1-CD2 3.46Å; L259-L330 VanDerWaalsContact CD1-CD2 3.46Å; L259-L330 HydrophobicContact CD1-CG 4.46Å; L259-F351 HydrophobicContact CD2-CZ 4.43Å
260	Y	96.4	Very high	94.3	Very high	13 Å²	13	6.5 Å²	6.5	5%	0.051	4%	0.035	C	C	.	.	H	α-helix	trans	-65.5	-37.8	176.8	170	-98.5	0	0	0	112.3	L256 Q257 T258 T262 R266 F291 L294 Q295	L256-Y260 WeakPolarHBondContact O-CB 3.25Å; L256-Y260 PolarHBondContact O-N 3.08Å; Q257-Y260 WeakPolarHBondContact O-CB 3.4Å; Q257-Y260 PolarHBondContact O-N 2.85Å; T258-Y260 PolarHBondContact O-N 3.4Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-R266 HydrophobicContact CD2-CG 4.4Å; Y260-R266 VanDerWaalsContact CZ-NH1 3.27Å; Y260-R266 PolarHBondContact O-NH1 3.19Å; Y260-F291 HydrophobicContact CD2-CB 4.04Å; Y260-F291 AromaticContact CD2-CD1 3.76Å; Y260-F291 HydrophobicContact CD2-CD1 3.76Å; Y260-F291 HydrophobicContact CD2-CE1 4.36Å; Y260-F291 AromaticContact CD2-CG 3.95Å; Y260-F291 HydrophobicContact CD2-CG 3.95Å; Y260-F291 HydrophobicContact CE2-CB 4.4Å; Y260-F291 WeakPolarHBondContact CE2-O 3.36Å; Y260-F291 HydrophobicContact CG-CD1 4.36Å; Y260-L294 HydrophobicContact CD1-CD1 4.34Å; Y260-L294 HydrophobicContact CD2-CB 3.93Å; Y260-L294 HydrophobicContact CD2-CD1 3.87Å; Y260-L294 HydrophobicContact CE1-CB 4.3Å; Y260-L294 HydrophobicContact CE2-CB 3.65Å; Y260-L294 HydrophobicContact CE2-CD1 4.46Å; Y260-L294 HydrophobicContact CG-CB 4.36Å; Y260-L294 HydrophobicContact CG-CD1 3.81Å; Y260-Q295 HydrophobicContact CE2-CB 4.32Å; Y260-Q295 WeakPolarHBondContact OH-CA 3.29Å; Y260-Q295 WeakPolarHBondContact OH-CB 3.48Å; Y260-Q295 PolarHBondContact OH-N 2.89Å
261	F	96.1	Very high	94.4	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.026	6%	0.056	C	C	.	.	H	α-helix	trans	-81.3	-9.8	178	-71.4	-64.1	0	0	0	114.1	Y240 Q257 T258 N263 I495 P497 F506 L555	Y240-F261 AromaticContact CD1-CE1 3.66Å; Y240-F261 HydrophobicContact CD1-CE1 3.66Å; Y240-F261 AromaticContact CD1-CZ 3.63Å; Y240-F261 HydrophobicContact CD1-CZ 3.63Å; Y240-F261 AromaticContact CE1-CE1 3.54Å; Y240-F261 HydrophobicContact CE1-CE1 3.54Å; Y240-F261 AromaticContact CE1-CZ 3.97Å; Y240-F261 HydrophobicContact CE1-CZ 3.97Å; Y240-F261 HydrophobicContact CG-CE1 4.41Å; Y240-F261 AromaticContact CG-CZ 4Å; Y240-F261 HydrophobicContact CG-CZ 4Å; Q257-F261 WeakPolarHBondContact O-CD2 3.3Å; Q257-F261 PolarHBondContact O-N 3.2Å; Q257-F261 VanDerWaalsContact O-N 3.07Å; T258-F261 PolarHBondContact O-N 2.85Å; F261-N263 PolarHBondContact O-N 3.33Å; F261-N263 PolarHBondContact O-OD1 3.21Å; F261-I495 HydrophobicContact CB-CG2 4.12Å; F261-I495 HydrophobicContact CD2-CB 4.44Å; F261-I495 HydrophobicContact CD2-CD1 3.57Å; F261-I495 HydrophobicContact CD2-CG2 3.91Å; F261-I495 HydrophobicContact CE2-CD1 4.07Å; F261-I495 HydrophobicContact CG-CG2 4.14Å; F261-P497 HydrophobicContact CD1-CB 3.56Å; F261-P497 HydrophobicContact CD1-CG 3.95Å; F261-P497 HydrophobicContact CE1-CB 3.77Å; F261-P497 HydrophobicContact CE1-CG 3.83Å; F261-P497 HydrophobicContact CG-CB 4.19Å; F261-P497 HydrophobicContact CG-CG 4.35Å; F261-P497 HydrophobicContact CZ-CG 4.15Å; F261-F506 HydrophobicContact CD2-CZ 4.38Å; F261-F506 HydrophobicContact CE2-CD1 4.44Å; F261-F506 AromaticContact CE2-CE1 3.58Å; F261-F506 HydrophobicContact CE2-CE1 3.58Å; F261-F506 AromaticContact CE2-CE2 3.92Å; F261-F506 HydrophobicContact CE2-CE2 3.92Å; F261-F506 AromaticContact CE2-CZ 3.28Å; F261-F506 HydrophobicContact CE2-CZ 3.28Å; F261-F506 AromaticContact CZ-CE1 3.8Å; F261-F506 HydrophobicContact CZ-CE1 3.8Å; F261-F506 HydrophobicContact CZ-CE2 4.43Å; F261-F506 AromaticContact CZ-CZ 3.47Å; F261-F506 HydrophobicContact CZ-CZ 3.47Å; F261-F506 VanDerWaalsContact CZ-CZ 3.47Å; F261-L555 VanDerWaalsContact O-CD2 3.3Å; F261-L555 WeakPolarHBondContact O-CD2 3.03Å
262	T	96.1	Very high	94.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.			trans	-73.7	79.3	161	-52.5	0	0	0	0	109	T258 L259 Y260 S264 L265 R266 F351 V428 V554	T258-T262 PolarHBondContact O-N 2.81Å; T258-T262 PolarHBondContact O-OG1 2.78Å; L259-T262 PolarHBondContact O-N 2.68Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; T262-S264 VanDerWaalsContact C-N 3.29Å; T262-S264 PolarHBondContact O-N 3.42Å; T262-L265 HydrophobicContact CG2-CB 3.77Å; T262-L265 WeakPolarHBondContact O-CA 3.44Å; T262-L265 WeakPolarHBondContact O-CB 3.28Å; T262-L265 PolarHBondContact O-N 3.09Å; T262-R266 PolarHBondContact O-N 3.41Å; T262-F351 HydrophobicContact CG2-CZ 4.33Å; T262-V428 HydrophobicContact CG2-CG2 4.16Å; T262-V554 HydrophobicContact CG2-CG1 3.94Å
263	N	94.9	Very high	94.3	Very high	12 Å²	12	15.3 Å²	15.3	6%	0.064	8%	0.076	C	C	.	.	H	α-helix	trans	-55	-39.8	-169.4	-69.3	-13.3	0	0	0	113.5	F261 L265 R266 L267 V554 L555 G556 I558	F261-N263 PolarHBondContact O-N 3.33Å; F261-N263 PolarHBondContact O-OD1 3.21Å; N263-L265 VanDerWaalsContact C-N 3.29Å; N263-L265 PolarHBondContact O-N 3Å; N263-R266 WeakPolarHBondContact O-CB 3.12Å; N263-R266 PolarHBondContact O-N 2.83Å; N263-R266 VanDerWaalsContact O-N 3.16Å; N263-R266 VanDerWaalsContact OD1-CZ 3.27Å; N263-R266 PolarHBondContact OD1-NH1 3.14Å; N263-R266 PolarHBondContact OD1-NH2 3.32Å; N263-R266 VanDerWaalsContact OD1-NH2 3.1Å; N263-L267 PolarHBondContact O-N 2.95Å; N263-V554 WeakPolarHBondContact CB-O 3.36Å; N263-V554 PolarHBondContact N-O 3.09Å; N263-V554 VanDerWaalsContact N-O 3.16Å; N263-L555 PolarHBondContact ND2-O 3.26Å; N263-G556 WeakPolarHBondContact CB-O 3.39Å; N263-G556 PolarHBondContact ND2-O 3.3Å; N263-I558 HydrophobicContact CB-CD1 4.05Å; N263-I558 HydrophobicContact CB-CG1 4.25Å; N263-I558 WeakPolarHBondContact O-CD1 3.43Å
264	S	93.8	Very high	94.1	Very high	24 Å²	24	15.4 Å²	15.4	17%	0.168	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-36.3	175.3	-179.6	0	0	0	0	112.9	T262 S268 V554	T262-S264 VanDerWaalsContact C-N 3.29Å; T262-S264 PolarHBondContact O-N 3.42Å; S264-S268 PolarHBondContact O-N 3.38Å; S264-S268 PolarHBondContact O-OG 2.9Å; S264-V554 PolarHBondContact N-O 3.37Å
265	L	94.7	Very high	93.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-69.2	-45.2	173.7	173.5	64.8	0	0	0	110.2	L259 T262 N263 L267 S268 V269 I347 L350 F351	L259-L265 HydrophobicContact CB-CD2 4Å; L259-L265 HydrophobicContact CD2-CD2 3.73Å; L259-L265 HydrophobicContact CG-CD2 4.36Å; T262-L265 HydrophobicContact CG2-CB 3.77Å; T262-L265 WeakPolarHBondContact O-CA 3.44Å; T262-L265 WeakPolarHBondContact O-CB 3.28Å; T262-L265 PolarHBondContact O-N 3.09Å; N263-L265 VanDerWaalsContact C-N 3.29Å; N263-L265 PolarHBondContact O-N 3Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 PolarHBondContact O-N 2.92Å; L265-S268 PolarHBondContact O-N 2.99Å; L265-S268 VanDerWaalsContact O-N 3.16Å; L265-V269 HydrophobicContact CD1-CG2 4.25Å; L265-V269 HydrophobicContact CG-CG2 4.39Å; L265-V269 WeakPolarHBondContact O-CG2 3.38Å; L265-V269 PolarHBondContact O-N 3.26Å; L265-I347 HydrophobicContact CD1-CD1 3.38Å; L265-L350 HydrophobicContact CB-CD1 4.04Å; L265-F351 HydrophobicContact CD1-CE2 4.4Å; L265-F351 HydrophobicContact CD2-CE2 4.12Å; L265-F351 HydrophobicContact CD2-CZ 3.98Å
266	R	94.8	Very high	93	Very high	15 Å²	15	26.3 Å²	26.3	6%	0.057	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-44.8	178	-177.9	173.3	75.7	-136.8	-1.4	111.7	Y260 T262 N263 S268 V269 Y270 F291 I558	Y260-R266 HydrophobicContact CD2-CG 4.4Å; Y260-R266 VanDerWaalsContact CZ-NH1 3.27Å; Y260-R266 PolarHBondContact O-NH1 3.19Å; T262-R266 PolarHBondContact O-N 3.41Å; N263-R266 WeakPolarHBondContact O-CB 3.12Å; N263-R266 PolarHBondContact O-N 2.83Å; N263-R266 VanDerWaalsContact O-N 3.16Å; N263-R266 VanDerWaalsContact OD1-CZ 3.27Å; N263-R266 PolarHBondContact OD1-NH1 3.14Å; N263-R266 PolarHBondContact OD1-NH2 3.32Å; N263-R266 VanDerWaalsContact OD1-NH2 3.1Å; R266-S268 PolarHBondContact O-N 3.23Å; R266-V269 PolarHBondContact O-N 2.82Å; R266-Y270 HydrophobicContact CG-CD2 4.15Å; R266-Y270 HydrophobicContact CG-CE2 3.56Å; R266-Y270 WeakPolarHBondContact O-CD2 3.37Å; R266-Y270 PolarHBondContact O-N 2.92Å; R266-F291 HydrophobicContact CB-CD2 4.27Å; R266-F291 HydrophobicContact CB-CE2 4.4Å; R266-F291 HydrophobicContact CG-CB 4.33Å; R266-F291 HydrophobicContact CG-CD2 3.81Å; R266-F291 HydrophobicContact CG-CE2 4.42Å; R266-F291 HydrophobicContact CG-CG 4.31Å; R266-I558 HydrophobicContact CB-CD1 3.95Å; R266-I558 HydrophobicContact CG-CD1 4.02Å
267	L	92.9	Very high	92.6	Very high	30 Å²	30	28 Å²	28	16%	0.157	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-46.6	176.5	179.2	58.6	0	0	0	111.4	N263 L265 V269 Y270 R271 I558 E562	N263-L267 PolarHBondContact O-N 2.95Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 PolarHBondContact O-N 2.92Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.89Å; L267-Y270 PolarHBondContact O-N 3.5Å; L267-R271 PolarHBondContact O-N 3.16Å; L267-I558 HydrophobicContact CB-CD1 3.99Å; L267-I558 HydrophobicContact CB-CG1 4.4Å; L267-I558 HydrophobicContact CD1-CG2 4.32Å; L267-E562 HydrophobicContact CD1-CB 3.8Å
268	S	92.7	Very high	92.1	Very high	13 Å²	13	31.8 Å²	31.8	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-37.7	177.1	-64.1	0	0	0	0	112.1	S264 L265 R266 Y270 R271 I272 L343 T346	S264-S268 PolarHBondContact O-N 3.38Å; S264-S268 PolarHBondContact O-OG 2.9Å; L265-S268 PolarHBondContact O-N 2.99Å; L265-S268 VanDerWaalsContact O-N 3.16Å; R266-S268 PolarHBondContact O-N 3.23Å; S268-Y270 PolarHBondContact O-N 3.29Å; S268-R271 PolarHBondContact O-N 2.72Å; S268-R271 VanDerWaalsContact O-N 3.09Å; S268-I272 PolarHBondContact O-N 3.17Å; S268-L343 VanDerWaalsContact O-CD1 3.22Å; S268-L343 WeakPolarHBondContact O-CD1 3.49Å; S268-T346 VanDerWaalsContact OG-CG2 3.25Å; S268-T346 WeakPolarHBondContact OG-CG2 3.21Å
269	V	93.3	Very high	91.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-42.1	174.1	170.2	0	0	0	0	111.5	L265 R266 L267 R271 I272 L287 Q288 F291 L334	L265-V269 HydrophobicContact CD1-CG2 4.25Å; L265-V269 HydrophobicContact CG-CG2 4.39Å; L265-V269 WeakPolarHBondContact O-CG2 3.38Å; L265-V269 PolarHBondContact O-N 3.26Å; R266-V269 PolarHBondContact O-N 2.82Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.89Å; V269-R271 PolarHBondContact O-N 2.9Å; V269-I272 HydrophobicContact CB-CD1 4.42Å; V269-I272 HydrophobicContact CG1-CD1 4.45Å; V269-I272 HydrophobicContact CG2-CD1 4.35Å; V269-I272 WeakPolarHBondContact O-CG1 3.47Å; V269-I272 PolarHBondContact O-N 2.98Å; V269-L287 HydrophobicContact CG1-CB 4.32Å; V269-L287 HydrophobicContact CG1-CD2 3.97Å; V269-L287 HydrophobicContact CG1-CG 4.05Å; V269-L287 HydrophobicContact CG2-CD2 3.96Å; V269-Q288 HydrophobicContact CG1-CG 3.89Å; V269-Q288 VanDerWaalsContact O-CG 3.26Å; V269-Q288 WeakPolarHBondContact O-CG 3.49Å; V269-Q288 PolarHBondContact O-NE2 2.89Å; V269-F291 HydrophobicContact CB-CD2 4.07Å; V269-F291 HydrophobicContact CB-CE2 4.06Å; V269-F291 HydrophobicContact CG1-CD2 3.8Å; V269-F291 HydrophobicContact CG1-CE2 4.03Å; V269-F291 HydrophobicContact CG2-CE2 3.99Å; V269-L334 HydrophobicContact CG2-CD1 4.47Å
270	Y	92.7	Very high	90.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-24.4	174.9	-69.2	-44	0	0	0	113.9	R266 L267 S268 F291 H292 Q295 I563 L567	R266-Y270 HydrophobicContact CG-CD2 4.15Å; R266-Y270 HydrophobicContact CG-CE2 3.56Å; R266-Y270 WeakPolarHBondContact O-CD2 3.37Å; R266-Y270 PolarHBondContact O-N 2.92Å; L267-Y270 PolarHBondContact O-N 3.5Å; S268-Y270 PolarHBondContact O-N 3.29Å; Y270-F291 HydrophobicContact CE1-CB 3.92Å; Y270-F291 PolarHBondContact OH-O 3.39Å; Y270-H292 HydrophobicContact CE1-CB 4.26Å; Y270-H292 PolarHBondContact OH-N 2.82Å; Y270-Q295 PolarHBondContact OH-OE1 3.43Å; Y270-Q295 VanDerWaalsContact OH-OE1 3.1Å; Y270-I563 HydrophobicContact CD2-CD1 4.15Å; Y270-I563 HydrophobicContact CD2-CG1 3.94Å; Y270-I563 HydrophobicContact CE2-CD1 3.89Å; Y270-I563 HydrophobicContact CE2-CG1 4.19Å; Y270-I563 HydrophobicContact CG-CG1 4.33Å; Y270-I563 HydrophobicContact CG-CG2 4.45Å; Y270-L567 HydrophobicContact CD1-CD2 4.14Å
271	R	91.2	Very high	90.1	Very high	123 Å²	123	42.2 Å²	42.2	46%	0.464	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-2	-180	-68.2	179.5	179.7	-179.9	3.1	114	L267 S268 V269 L343	L267-R271 PolarHBondContact O-N 3.16Å; S268-R271 PolarHBondContact O-N 2.72Å; S268-R271 VanDerWaalsContact O-N 3.09Å; V269-R271 PolarHBondContact O-N 2.9Å; R271-L343 HydrophobicContact CB-CD1 3.76Å; R271-L343 HydrophobicContact CB-CD2 4.05Å; R271-L343 HydrophobicContact CB-CG 4.39Å
272	I	90.7	Very high	89.8	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	-64	128.5	175.3	-61.3	172.8	0	0	0	108.6	S268 V269 T274 Q288 L334 M338 L343	S268-I272 PolarHBondContact O-N 3.17Å; V269-I272 HydrophobicContact CB-CD1 4.42Å; V269-I272 HydrophobicContact CG1-CD1 4.45Å; V269-I272 HydrophobicContact CG2-CD1 4.35Å; V269-I272 WeakPolarHBondContact O-CG1 3.47Å; V269-I272 PolarHBondContact O-N 2.98Å; I272-T274 HydrophobicContact CB-CG2 4.42Å; I272-T274 HydrophobicContact CG2-CG2 3.94Å; I272-T274 PolarHBondContact O-N 3.16Å; I272-Q288 PolarHBondContact O-NE2 3.35Å; I272-L334 HydrophobicContact CD1-CD2 3.97Å; I272-M338 HydrophobicContact CD1-CE 3.59Å; I272-M338 HydrophobicContact CD1-CG 4.47Å; I272-M338 HydrophobicContact CG1-CE 3.84Å; I272-M338 HydrophobicContact CG1-CG 4.25Å; I272-L343 HydrophobicContact CG1-CD1 4.14Å
273	P	89.3	Confident	89.6	Confident	62 Å²	62	43 Å²	43	40%	0.403	24%	0.235	S	C	.	.			trans	-69	115.3	176.3	28.1	-33.3	0	0	0	109.9	E275 T341	P273-E275 WeakPolarHBondContact CA-OE2 3.49Å; P273-T341 HydrophobicContact CG-CG2 3.83Å
274	T	89.6	Confident	89.4	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.031	23%	0.233	C	C	.	.			trans	-129.9	9.3	-176.4	57.7	0	0	0	0	113	I272 A276 D277 L285 Q288 R570	I272-T274 HydrophobicContact CB-CG2 4.42Å; I272-T274 HydrophobicContact CG2-CG2 3.94Å; I272-T274 PolarHBondContact O-N 3.16Å; T274-A276 VanDerWaalsContact C-N 3.3Å; T274-A276 PolarHBondContact O-N 3.46Å; T274-D277 WeakPolarHBondContact O-CB 3.31Å; T274-D277 PolarHBondContact O-N 3.35Å; T274-L285 HydrophobicContact CG2-CB 4.18Å; T274-Q288 VanDerWaalsContact CG2-OE1 3.31Å; T274-Q288 PolarHBondContact OG1-OE1 3.01Å; T274-R570 PolarHBondContact O-NH1 3.23Å
275	E	85	Confident	89.4	Confident	130 Å²	130	41.4 Å²	41.4	61%	0.607	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.3	-172.7	-58.8	79.5	-174.6	0	0	112.5	P273 R570	P273-E275 WeakPolarHBondContact CA-OE2 3.49Å; E275-R570 PolarHBondContact O-NH1 2.63Å
276	A	83.7	Confident	89.3	Confident	103 Å²	103	41.4 Å²	41.4	85%	0.851	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-3	179.2	0	0	0	0	0	114.3	T274	T274-A276 VanDerWaalsContact C-N 3.3Å; T274-A276 PolarHBondContact O-N 3.46Å
277	D	87	Confident	89.3	Confident	35 Å²	35	40.7 Å²	40.7	19%	0.187	22%	0.223	C	C	.	.	S	Bend	trans	-75.2	144.3	-173.5	-90.5	9.5	0	0	0	112.3	T274 S282 K337 R570	T274-D277 WeakPolarHBondContact O-CB 3.31Å; T274-D277 PolarHBondContact O-N 3.35Å; D277-S282 VanDerWaalsContact OD2-CB 3.3Å; D277-S282 WeakPolarHBondContact OD2-CB 3.47Å; D277-S282 PolarHBondContact OD2-OG 2.89Å; D277-K337 IonicContact OD1-NZ 3.54Å; D277-K337 PolarHBondContact OD1-NZ 2.93Å; D277-K337 IonicContact OD2-NZ 2.74Å; D277-K337 PolarHBondContact OD2-NZ 3.15Å; D277-R570 PolarHBondContact O-NH2 3.04Å
278	D	86	Confident	89.3	Confident	85 Å²	85	39.3 Å²	39.3	46%	0.455	22%	0.215	S	C	.	.			trans	-68.5	129.3	174.3	-177.3	-65.8	0	0	0	111.3	S280 K281 S282	D278-S280 PolarHBondContact O-N 2.94Å; D278-S280 VanDerWaalsContact O-N 3.12Å; D278-S280 WeakPolarHBondContact OD1-CA 3.48Å; D278-S280 WeakPolarHBondContact OD1-CB 3.19Å; D278-S280 PolarHBondContact OD1-N 3.18Å; D278-S280 PolarHBondContact OD1-OG 2.92Å; D278-K281 HydrophobicContact CB-CB 4.26Å; D278-K281 PolarHBondContact O-N 2.99Å; D278-K281 PolarHBondContact OD1-N 3.16Å; D278-S282 VanDerWaalsContact O-CB 3.31Å; D278-S282 WeakPolarHBondContact O-CB 3.34Å; D278-S282 PolarHBondContact O-N 3.01Å
279	S	81.3	Confident	89.4	Confident	38 Å²	38	39.4 Å²	39.4	27%	0.266	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.8	-176.3	-169.9	0	0	0	0	114.5	R289 E574	S279-R289 PolarHBondContact O-NH2 3Å; S279-R289 PolarHBondContact OG-NH2 2.89Å; S279-E574 WeakPolarHBondContact CB-OE1 3.39Å; S279-E574 PolarHBondContact OG-OE1 3.23Å
280	S	79.6	Confident	89.4	Confident	36 Å²	36	39.7 Å²	39.7	25%	0.252	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-19.7	-175.5	72.4	0	0	0	0	114.7	D278 S309	D278-S280 PolarHBondContact O-N 2.94Å; D278-S280 VanDerWaalsContact O-N 3.12Å; D278-S280 WeakPolarHBondContact OD1-CA 3.48Å; D278-S280 WeakPolarHBondContact OD1-CB 3.19Å; D278-S280 PolarHBondContact OD1-N 3.18Å; D278-S280 PolarHBondContact OD1-OG 2.92Å; S280-S309 WeakPolarHBondContact O-CA 3.45Å; S280-S309 PolarHBondContact O-N 3.3Å
281	K	86.6	Confident	89.6	Confident	159 Å²	159	39.5 Å²	39.5	69%	0.691	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-20	-177.4	-62	-176.4	-179.4	-179.7	0	114	D278 V283	D278-K281 HydrophobicContact CB-CB 4.26Å; D278-K281 PolarHBondContact O-N 2.99Å; D278-K281 PolarHBondContact OD1-N 3.16Å; K281-V283 PolarHBondContact O-N 3.4Å
282	S	90.9	Very high	89.7	Confident	7 Å²	7	34.7 Å²	34.7	5%	0.049	20%	0.197	C	C	.	.			trans	-80.4	118	-178.7	177.6	0	0	0	0	112.7	D277 D278 G284 L285 S286	D277-S282 VanDerWaalsContact OD2-CB 3.3Å; D277-S282 WeakPolarHBondContact OD2-CB 3.47Å; D277-S282 PolarHBondContact OD2-OG 2.89Å; D278-S282 VanDerWaalsContact O-CB 3.31Å; D278-S282 WeakPolarHBondContact O-CB 3.34Å; D278-S282 PolarHBondContact O-N 3.01Å; S282-G284 PolarHBondContact OG-N 3.44Å; S282-L285 PolarHBondContact OG-N 3.1Å; S282-S286 VanDerWaalsContact O-CB 3.28Å; S282-S286 WeakPolarHBondContact O-CB 3.44Å; S282-S286 PolarHBondContact O-N 3.38Å; S282-S286 VanDerWaalsContact O-N 3.08Å; S282-S286 PolarHBondContact O-OG 3.44Å
283	V	91.3	Very high	89.8	Confident	15 Å²	15	37.2 Å²	37.2	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-42.3	172.9	177.8	0	0	0	0	110.7	K281 S286 L287 L306 F310 L330 K333	K281-V283 PolarHBondContact O-N 3.4Å; V283-S286 PolarHBondContact O-N 3.38Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 PolarHBondContact O-N 2.79Å; V283-L306 HydrophobicContact CG1-CD1 4.39Å; V283-F310 HydrophobicContact CG1-CE1 4.22Å; V283-F310 HydrophobicContact CG1-CE2 4.27Å; V283-F310 HydrophobicContact CG1-CZ 3.78Å; V283-F310 HydrophobicContact CG2-CD1 4.26Å; V283-F310 HydrophobicContact CG2-CE1 4.17Å; V283-F310 HydrophobicContact CG2-CZ 4.36Å; V283-L330 HydrophobicContact CG1-CD1 4.06Å; V283-K333 HydrophobicContact CG2-CD 4.04Å
284	G	91.3	Very high	90	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-50.1	179.5	0	0	0	0	0	112	S282 S286 L287 Q288	S282-G284 PolarHBondContact OG-N 3.44Å; G284-S286 PolarHBondContact O-N 2.94Å; G284-L287 PolarHBondContact O-N 2.93Å; G284-Q288 WeakPolarHBondContact O-CG 3.47Å; G284-Q288 PolarHBondContact O-N 3.1Å
285	L	92.1	Very high	90.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-38.5	177.2	-179.8	60.6	0	0	0	112.2	T274 S282 L287 Q288 R289 L567 L571	T274-L285 HydrophobicContact CG2-CB 4.18Å; S282-L285 PolarHBondContact OG-N 3.1Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.34Å; L285-Q288 PolarHBondContact O-N 3.16Å; L285-R289 WeakPolarHBondContact O-CB 3.46Å; L285-R289 PolarHBondContact O-N 2.89Å; L285-L567 HydrophobicContact CD1-CD1 4.24Å; L285-L571 HydrophobicContact CD1-CD2 4.43Å
286	S	92.9	Very high	90.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-37.1	177.2	-64.7	0	0	0	0	112.2	S282 V283 G284 R289 V290 K305	S282-S286 VanDerWaalsContact O-CB 3.28Å; S282-S286 WeakPolarHBondContact O-CB 3.44Å; S282-S286 PolarHBondContact O-N 3.38Å; S282-S286 VanDerWaalsContact O-N 3.08Å; S282-S286 PolarHBondContact O-OG 3.44Å; V283-S286 PolarHBondContact O-N 3.38Å; G284-S286 PolarHBondContact O-N 2.94Å; S286-R289 WeakPolarHBondContact O-CB 3.47Å; S286-R289 PolarHBondContact O-N 3.18Å; S286-V290 WeakPolarHBondContact O-CG2 3.06Å; S286-V290 PolarHBondContact O-N 3.24Å; S286-K305 PolarHBondContact OG-O 3.32Å
287	L	94.8	Very high	90.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-70.6	-42.3	175.5	-167.8	65.9	0	0	0	111.7	L256 V269 V283 G284 L285 R289 V290 F291 L330 L334	L256-L287 HydrophobicContact CD2-CD1 3.5Å; L256-L287 VanDerWaalsContact CD2-CD1 3.5Å; V269-L287 HydrophobicContact CG1-CB 4.32Å; V269-L287 HydrophobicContact CG1-CD2 3.97Å; V269-L287 HydrophobicContact CG1-CG 4.05Å; V269-L287 HydrophobicContact CG2-CD2 3.96Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 PolarHBondContact O-N 2.79Å; G284-L287 PolarHBondContact O-N 2.93Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.34Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 2.98Å; L287-V290 PolarHBondContact O-N 3.29Å; L287-F291 HydrophobicContact CD1-CD1 4.21Å; L287-F291 HydrophobicContact CD1-CE1 3.69Å; L287-F291 HydrophobicContact CD1-CE2 4.34Å; L287-F291 HydrophobicContact CD1-CZ 3.77Å; L287-F291 HydrophobicContact CD2-CE2 4.1Å; L287-F291 HydrophobicContact CD2-CZ 4.11Å; L287-F291 HydrophobicContact CG-CD1 4.47Å; L287-F291 HydrophobicContact CG-CD2 4.28Å; L287-F291 HydrophobicContact CG-CE1 4.15Å; L287-F291 HydrophobicContact CG-CE2 3.95Å; L287-F291 HydrophobicContact CG-CZ 3.89Å; L287-F291 WeakPolarHBondContact O-CB 3.25Å; L287-F291 WeakPolarHBondContact O-CG 3.43Å; L287-F291 PolarHBondContact O-N 3.1Å; L287-L330 HydrophobicContact CD2-CD1 4.47Å; L287-L334 HydrophobicContact CD2-CD1 3.69Å; L287-L334 HydrophobicContact CD2-CD2 3.87Å; L287-L334 HydrophobicContact CD2-CG 4.35Å
288	Q	94.1	Very high	90.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-54.1	-45.1	171.2	-75.7	172.4	-20	0	0	111.3	V269 I272 T274 G284 L285 F291 H292 L567	V269-Q288 HydrophobicContact CG1-CG 3.89Å; V269-Q288 VanDerWaalsContact O-CG 3.26Å; V269-Q288 WeakPolarHBondContact O-CG 3.49Å; V269-Q288 PolarHBondContact O-NE2 2.89Å; I272-Q288 PolarHBondContact O-NE2 3.35Å; T274-Q288 VanDerWaalsContact CG2-OE1 3.31Å; T274-Q288 PolarHBondContact OG1-OE1 3.01Å; G284-Q288 WeakPolarHBondContact O-CG 3.47Å; G284-Q288 PolarHBondContact O-N 3.1Å; L285-Q288 PolarHBondContact O-N 3.16Å; Q288-F291 PolarHBondContact O-N 3.13Å; Q288-H292 WeakPolarHBondContact O-CB 3.35Å; Q288-H292 PolarHBondContact O-N 3.46Å; Q288-L567 HydrophobicContact CB-CD1 4.32Å; Q288-L567 HydrophobicContact CB-CD2 4.28Å; Q288-L567 HydrophobicContact CG-CD2 4.21Å
289	R	93.3	Very high	90.3	Very high	15 Å²	15	37.5 Å²	37.5	6%	0.057	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-48.9	176.3	-172.4	-175	-58.1	117.2	-8.1	111.9	S279 L285 S286 L287 H292 E293 K305 L571 E574	S279-R289 PolarHBondContact O-NH2 3Å; S279-R289 PolarHBondContact OG-NH2 2.89Å; L285-R289 WeakPolarHBondContact O-CB 3.46Å; L285-R289 PolarHBondContact O-N 2.89Å; S286-R289 WeakPolarHBondContact O-CB 3.47Å; S286-R289 PolarHBondContact O-N 3.18Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 2.98Å; R289-H292 PolarHBondContact O-N 3.09Å; R289-E293 WeakPolarHBondContact O-CB 3.48Å; R289-E293 WeakPolarHBondContact O-CG 3.29Å; R289-E293 PolarHBondContact O-N 2.79Å; R289-K305 VanDerWaalsContact NH1-CB 3.26Å; R289-L571 HydrophobicContact CB-CD2 3.86Å; R289-L571 HydrophobicContact CG-CD2 4.01Å; R289-E574 IonicContact CZ-OE2 3.82Å; R289-E574 IonicContact NE-OE2 2.68Å; R289-E574 PolarHBondContact NE-OE2 3.18Å; R289-E574 IonicContact NH2-OE1 2.79Å; R289-E574 PolarHBondContact NH2-OE1 3.19Å; R289-E574 IonicContact NH2-OE2 3.2Å; R289-E574 PolarHBondContact NH2-OE2 3.16Å
290	V	95.1	Very high	90.6	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-47.3	178.9	170.9	0	0	0	0	110.7	L243 S286 L287 E293 L294 V301 T303	L243-V290 HydrophobicContact CD2-CG1 3.91Å; S286-V290 WeakPolarHBondContact O-CG2 3.06Å; S286-V290 PolarHBondContact O-N 3.24Å; L287-V290 PolarHBondContact O-N 3.29Å; V290-E293 PolarHBondContact O-N 3.01Å; V290-L294 HydrophobicContact CG1-CD1 3.96Å; V290-L294 HydrophobicContact CG1-CG 4.37Å; V290-L294 WeakPolarHBondContact O-CB 3.34Å; V290-L294 VanDerWaalsContact O-CG 3.32Å; V290-L294 WeakPolarHBondContact O-CG 3.24Å; V290-L294 PolarHBondContact O-N 3.37Å; V290-V301 HydrophobicContact CG1-CG1 4.24Å; V290-T303 HydrophobicContact CG2-CG2 4.43Å
291	F	95.5	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-40.6	179.7	-71.8	-3.3	0	0	0	112.3	L259 Y260 R266 V269 Y270 L287 Q288 L294 Q295	L259-F291 HydrophobicContact CB-CZ 4.24Å; Y260-F291 HydrophobicContact CD2-CB 4.04Å; Y260-F291 AromaticContact CD2-CD1 3.76Å; Y260-F291 HydrophobicContact CD2-CD1 3.76Å; Y260-F291 HydrophobicContact CD2-CE1 4.36Å; Y260-F291 AromaticContact CD2-CG 3.95Å; Y260-F291 HydrophobicContact CD2-CG 3.95Å; Y260-F291 HydrophobicContact CE2-CB 4.4Å; Y260-F291 WeakPolarHBondContact CE2-O 3.36Å; Y260-F291 HydrophobicContact CG-CD1 4.36Å; R266-F291 HydrophobicContact CB-CD2 4.27Å; R266-F291 HydrophobicContact CB-CE2 4.4Å; R266-F291 HydrophobicContact CG-CB 4.33Å; R266-F291 HydrophobicContact CG-CD2 3.81Å; R266-F291 HydrophobicContact CG-CE2 4.42Å; R266-F291 HydrophobicContact CG-CG 4.31Å; V269-F291 HydrophobicContact CB-CD2 4.07Å; V269-F291 HydrophobicContact CB-CE2 4.06Å; V269-F291 HydrophobicContact CG1-CD2 3.8Å; V269-F291 HydrophobicContact CG1-CE2 4.03Å; V269-F291 HydrophobicContact CG2-CE2 3.99Å; Y270-F291 HydrophobicContact CE1-CB 3.92Å; Y270-F291 PolarHBondContact OH-O 3.39Å; L287-F291 HydrophobicContact CD1-CD1 4.21Å; L287-F291 HydrophobicContact CD1-CE1 3.69Å; L287-F291 HydrophobicContact CD1-CE2 4.34Å; L287-F291 HydrophobicContact CD1-CZ 3.77Å; L287-F291 HydrophobicContact CD2-CE2 4.1Å; L287-F291 HydrophobicContact CD2-CZ 4.11Å; L287-F291 HydrophobicContact CG-CD1 4.47Å; L287-F291 HydrophobicContact CG-CD2 4.28Å; L287-F291 HydrophobicContact CG-CE1 4.15Å; L287-F291 HydrophobicContact CG-CE2 3.95Å; L287-F291 HydrophobicContact CG-CZ 3.89Å; L287-F291 WeakPolarHBondContact O-CB 3.25Å; L287-F291 WeakPolarHBondContact O-CG 3.43Å; L287-F291 PolarHBondContact O-N 3.1Å; Q288-F291 PolarHBondContact O-N 3.13Å; F291-L294 HydrophobicContact CD1-CD1 4.37Å; F291-L294 PolarHBondContact O-N 2.8Å; F291-Q295 WeakPolarHBondContact O-CB 3.47Å; F291-Q295 PolarHBondContact O-N 2.91Å
292	H	93.4	Very high	91.4	Very high	22 Å²	22	30 Å²	30	10%	0.102	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-47	174.6	-178.9	-90.5	0	0	0	111.5	Y270 Q288 R289 L294 Q295 F296 L571	Y270-H292 HydrophobicContact CE1-CB 4.26Å; Y270-H292 PolarHBondContact OH-N 2.82Å; Q288-H292 WeakPolarHBondContact O-CB 3.35Å; Q288-H292 PolarHBondContact O-N 3.46Å; R289-H292 PolarHBondContact O-N 3.09Å; H292-L294 VanDerWaalsContact C-N 3.34Å; H292-L294 PolarHBondContact O-N 2.93Å; H292-Q295 PolarHBondContact O-N 2.88Å; H292-F296 AromaticContact CD2-CD2 3.49Å; H292-F296 VanDerWaalsContact CD2-CD2 3.49Å; H292-F296 WeakPolarHBondContact CD2-CD2 3.34Å; H292-F296 AromaticContact CD2-CE2 3.59Å; H292-F296 AromaticContact CE1-CD2 3.89Å; H292-F296 AromaticContact CG-CD2 3.93Å; H292-F296 AromaticContact NE2-CD2 3.47Å; H292-F296 WeakPolarHBondContact NE2-CD2 3.44Å; H292-F296 AromaticContact NE2-CE2 3.79Å; H292-F296 VanDerWaalsContact O-CD2 3.31Å; H292-F296 WeakPolarHBondContact O-CD2 3.3Å; H292-F296 PolarHBondContact O-N 2.79Å; H292-L571 HydrophobicContact CB-CD1 3.62Å
293	E	92.4	Very high	91.4	Very high	59 Å²	59	29.7 Å²	29.7	28%	0.276	15%	0.15	S	C	.	.	H	α-helix	trans	-66.7	-32.2	176.6	-71.8	-174.8	-159.8	0	0	112.9	R289 V290 Q295 G297 V301	R289-E293 WeakPolarHBondContact O-CB 3.48Å; R289-E293 WeakPolarHBondContact O-CG 3.29Å; R289-E293 PolarHBondContact O-N 2.79Å; V290-E293 PolarHBondContact O-N 3.01Å; E293-Q295 VanDerWaalsContact C-N 3.33Å; E293-G297 WeakPolarHBondContact O-CA 3.42Å; E293-G297 PolarHBondContact O-N 2.92Å; E293-V301 HydrophobicContact CB-CB 4.31Å; E293-V301 HydrophobicContact CB-CG1 3.71Å; E293-V301 HydrophobicContact CB-CG2 3.66Å
294	L	93.6	Very high	91.3	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-34.1	173.6	-77.2	173.5	0	0	0	112.2	V241 L243 Y260 V290 F291 H292 V301	V241-L294 HydrophobicContact CG2-CD2 3.97Å; V241-L294 WeakPolarHBondContact CG2-O 3.47Å; L243-L294 HydrophobicContact CD2-CD1 4.34Å; L243-L294 HydrophobicContact CD2-CD2 4Å; L243-L294 HydrophobicContact CD2-CG 4.33Å; L243-L294 HydrophobicContact CG-CD2 4.16Å; Y260-L294 HydrophobicContact CD1-CD1 4.34Å; Y260-L294 HydrophobicContact CD2-CB 3.93Å; Y260-L294 HydrophobicContact CD2-CD1 3.87Å; Y260-L294 HydrophobicContact CE1-CB 4.3Å; Y260-L294 HydrophobicContact CE2-CB 3.65Å; Y260-L294 HydrophobicContact CE2-CD1 4.46Å; Y260-L294 HydrophobicContact CG-CB 4.36Å; Y260-L294 HydrophobicContact CG-CD1 3.81Å; V290-L294 HydrophobicContact CG1-CD1 3.96Å; V290-L294 HydrophobicContact CG1-CG 4.37Å; V290-L294 WeakPolarHBondContact O-CB 3.34Å; V290-L294 VanDerWaalsContact O-CG 3.32Å; V290-L294 WeakPolarHBondContact O-CG 3.24Å; V290-L294 PolarHBondContact O-N 3.37Å; F291-L294 HydrophobicContact CD1-CD1 4.37Å; F291-L294 PolarHBondContact O-N 2.8Å; H292-L294 VanDerWaalsContact C-N 3.34Å; H292-L294 PolarHBondContact O-N 2.93Å; L294-V301 HydrophobicContact CD2-CB 4.25Å; L294-V301 HydrophobicContact CD2-CG2 3.88Å; L294-V301 HydrophobicContact CG-CB 4.5Å; L294-V301 HydrophobicContact CG-CG2 4.13Å
295	Q	91.8	Very high	91.2	Very high	29 Å²	29	39 Å²	39	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-76.3	-49.4	179.8	-170.9	164.1	-25.3	0	0	112.3	K235 Y260 Y270 F291 H292 E293	K235-Q295 PolarHBondContact NZ-O 2.88Å; K235-Q295 VanDerWaalsContact NZ-O 3.16Å; Y260-Q295 HydrophobicContact CE2-CB 4.32Å; Y260-Q295 WeakPolarHBondContact OH-CA 3.29Å; Y260-Q295 WeakPolarHBondContact OH-CB 3.48Å; Y260-Q295 PolarHBondContact OH-N 2.89Å; Y270-Q295 PolarHBondContact OH-OE1 3.43Å; Y270-Q295 VanDerWaalsContact OH-OE1 3.1Å; F291-Q295 WeakPolarHBondContact O-CB 3.47Å; F291-Q295 PolarHBondContact O-N 2.91Å; H292-Q295 PolarHBondContact O-N 2.88Å; E293-Q295 VanDerWaalsContact C-N 3.33Å
296	F	89.8	Confident	91.1	Very high	69 Å²	69	39 Å²	39	30%	0.303	19%	0.189	S	C	.	.	H	α-helix	trans	-107.8	-9.4	-170.2	-55.6	-68.2	0	0	0	114.9	H292 E560 I563	H292-F296 AromaticContact CD2-CD2 3.49Å; H292-F296 VanDerWaalsContact CD2-CD2 3.49Å; H292-F296 WeakPolarHBondContact CD2-CD2 3.34Å; H292-F296 AromaticContact CD2-CE2 3.59Å; H292-F296 AromaticContact CE1-CD2 3.89Å; H292-F296 AromaticContact CG-CD2 3.93Å; H292-F296 AromaticContact NE2-CD2 3.47Å; H292-F296 WeakPolarHBondContact NE2-CD2 3.44Å; H292-F296 AromaticContact NE2-CE2 3.79Å; H292-F296 VanDerWaalsContact O-CD2 3.31Å; H292-F296 WeakPolarHBondContact O-CD2 3.3Å; H292-F296 PolarHBondContact O-N 2.79Å; F296-E560 HydrophobicContact CE1-CG 3.61Å; F296-E560 WeakPolarHBondContact CE1-OE1 3.48Å; F296-E560 HydrophobicContact CZ-CG 3.8Å; F296-I563 HydrophobicContact CE2-CD1 3.7Å; F296-I563 HydrophobicContact CZ-CD1 3.76Å
297	G	86.7	Confident	90.9	Very high	12 Å²	12	39.2 Å²	39.2	12%	0.124	19%	0.191	C	C	.	.			trans	-80.7	148.3	179.4	0	0	0	0	0	113	V241 E293	V241-G297 WeakPolarHBondContact CG1-O 3.39Å; E293-G297 WeakPolarHBondContact O-CA 3.42Å; E293-G297 PolarHBondContact O-N 2.92Å
298	D	84.2	Confident	90.5	Very high	115 Å²	115	45.2 Å²	45.2	62%	0.615	22%	0.216	S	C	*	.	S	Bend	trans	-103.6	5.3	175.1	-54.3	-41.6	0	0	0	112.7
299	R	86.2	Confident	90.3	Very high	198 Å²	198	45.6 Å²	45.6	75%	0.747	22%	0.219	S	C	*	.	S	Bend	trans	-132.9	157.4	-176.5	-66.6	-174.8	-178.5	175	-0.3	110.6	V301	R299-V301 PolarHBondContact O-N 2.76Å
300	P	87.6	Confident	89.8	Confident	37 Å²	37	44.9 Å²	44.9	24%	0.24	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-55.1	129.8	175.3	-26.7	34.9	0	0	0	112.4	G242 K244 D509	G242-P300 VanDerWaalsContact O-CA 3.31Å; G242-P300 WeakPolarHBondContact O-CA 3.29Å; K244-P300 WeakPolarHBondContact CE-O 3.4Å; K244-P300 HydrophobicContact CG-CB 3.78Å; K244-P300 PolarHBondContact NZ-O 3.22Å; P300-D509 HydrophobicContact CB-CB 3.66Å; P300-D509 HydrophobicContact CG-CB 3.76Å
301	V	92.1	Very high	89.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-82.7	137.4	-170.4	174.9	0	0	0	0	110.6	V241 G242 L243 K244 V290 E293 L294 R299	V241-V301 HydrophobicContact CG2-CG2 4.25Å; G242-V301 PolarHBondContact O-N 3.46Å; L243-V301 CarbonylContact C-O 3.58Å; L243-V301 WeakPolarHBondContact CA-O 3.5Å; L243-V301 HydrophobicContact CD2-CB 3.73Å; L243-V301 HydrophobicContact CD2-CG1 3.93Å; K244-V301 PolarHBondContact N-O 3.41Å; V290-V301 HydrophobicContact CG1-CG1 4.24Å; E293-V301 HydrophobicContact CB-CB 4.31Å; E293-V301 HydrophobicContact CB-CG1 3.71Å; E293-V301 HydrophobicContact CB-CG2 3.66Å; L294-V301 HydrophobicContact CD2-CB 4.25Å; L294-V301 HydrophobicContact CD2-CG2 3.88Å; L294-V301 HydrophobicContact CG-CB 4.5Å; L294-V301 HydrophobicContact CG-CG2 4.13Å; R299-V301 PolarHBondContact O-N 2.76Å
302	G	90.5	Very high	88.4	Confident	35 Å²	35	48.5 Å²	48.5	36%	0.361	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-90.8	130.5	-179.2	0	0	0	0	0	112.6
303	T	91.3	Very high	87.4	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.273	C	S	.	.			trans	-97.6	11.9	-179.4	50	0	0	0	0	114.1	L243 Q246 M252 L256 V290 K305 L306 T307	L243-T303 HydrophobicContact CD2-CG2 3.79Å; Q246-T303 PolarHBondContact NE2-O 2.92Å; Q246-T303 VanDerWaalsContact NE2-O 3.16Å; Q246-T303 PolarHBondContact NE2-OG1 2.98Å; M252-T303 HydrophobicContact CE-CG2 4.28Å; M252-T303 WeakPolarHBondContact CE-OG1 3.28Å; L256-T303 HydrophobicContact CD1-CG2 3.83Å; V290-T303 HydrophobicContact CG2-CG2 4.43Å; T303-K305 PolarHBondContact O-N 3.49Å; T303-L306 WeakPolarHBondContact O-CB 3.46Å; T303-L306 PolarHBondContact O-N 2.98Å; T303-L306 VanDerWaalsContact O-N 3.12Å; T303-T307 PolarHBondContact O-N 3.09Å; T303-T307 PolarHBondContact O-OG1 3.1Å
304	K	88.6	Confident	86.4	Confident	152 Å²	152	56.8 Å²	56.8	66%	0.661	29%	0.294	S	S	*	.	H	α-helix	trans	-61.7	-39.9	-172.9	-71.2	-174.8	176.5	-171.1	0	114.3	Q246 L306 T307 K308	Q246-K304 HydrophobicContact CG-CG 4.34Å; Q246-K304 VanDerWaalsContact NE2-N 3.16Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-T307 PolarHBondContact O-OG1 3.21Å; K304-K308 WeakPolarHBondContact O-CB 3.42Å; K304-K308 PolarHBondContact O-N 3.41Å; K304-K308 VanDerWaalsContact O-N 3.12Å
305	K	88.6	Confident	85.2	Confident	60 Å²	60	63.1 Å²	63.1	26%	0.261	33%	0.327	S	S	.	.	H	α-helix	trans	-72.5	-30.4	178.3	-67.5	-178.9	-174	165	0	111.2	S286 R289 T303 S309 E578	S286-K305 PolarHBondContact OG-O 3.32Å; R289-K305 VanDerWaalsContact NH1-CB 3.26Å; T303-K305 PolarHBondContact O-N 3.49Å; K305-S309 WeakPolarHBondContact O-CB 3.37Å; K305-S309 PolarHBondContact O-N 2.92Å; K305-E578 WeakPolarHBondContact CE-OE2 3.31Å; K305-E578 IonicContact NZ-OE2 3.96Å; K305-E578 PolarHBondContact NZ-OE2 3.47Å
306	L	90.4	Very high	84.2	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-50.9	174.8	-177.4	66.6	0	0	0	111	M252 L256 V283 T303 K304 K308 S309 F310	M252-L306 HydrophobicContact SD-CD2 4.02Å; L256-L306 HydrophobicContact CD1-CD2 3.64Å; L256-L306 HydrophobicContact CD2-CD2 3.91Å; L256-L306 HydrophobicContact CG-CD2 4.38Å; V283-L306 HydrophobicContact CG1-CD1 4.39Å; T303-L306 WeakPolarHBondContact O-CB 3.46Å; T303-L306 PolarHBondContact O-N 2.98Å; T303-L306 VanDerWaalsContact O-N 3.12Å; K304-L306 VanDerWaalsContact C-N 3.31Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 2.79Å; L306-S309 WeakPolarHBondContact O-CB 3.15Å; L306-S309 PolarHBondContact O-N 3.36Å; L306-S309 PolarHBondContact O-OG 2.99Å; L306-F310 HydrophobicContact CD1-CD2 4.36Å; L306-F310 HydrophobicContact CD1-CE2 3.73Å; L306-F310 HydrophobicContact CG-CD2 4.26Å; L306-F310 HydrophobicContact CG-CE2 3.85Å; L306-F310 WeakPolarHBondContact O-CD2 3.49Å; L306-F310 PolarHBondContact O-N 3.06Å
307	T	88.9	Confident	83.1	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-41.6	176.1	51.9	0	0	0	0	111.5	Q246 M252 T303 K304 S309 F310 W312	Q246-T307 PolarHBondContact OE1-OG1 2.95Å; M252-T307 HydrophobicContact CE-CG2 3.57Å; M252-T307 HydrophobicContact SD-CG2 4.02Å; T303-T307 PolarHBondContact O-N 3.09Å; T303-T307 PolarHBondContact O-OG1 3.1Å; K304-T307 PolarHBondContact O-OG1 3.21Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-S309 PolarHBondContact O-N 3.35Å; T307-F310 WeakPolarHBondContact O-CB 3.43Å; T307-F310 PolarHBondContact O-N 3.48Å; T307-F310 VanDerWaalsContact O-N 3.07Å; T307-W312 HydrophobicContact CG2-CE3 3.82Å; T307-W312 HydrophobicContact CG2-CZ3 4.13Å; T307-W312 WeakPolarHBondContact O-CB 3.47Å; T307-W312 PolarHBondContact O-N 2.82Å
308	K	87.3	Confident	82.1	Confident	126 Å²	126	66.6 Å²	66.6	55%	0.548	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-37.5	173.7	-170.5	174.8	-179.4	179.1	0	113.4	K304 L306 F310 G311	K304-K308 WeakPolarHBondContact O-CB 3.42Å; K304-K308 PolarHBondContact O-N 3.41Å; K304-K308 VanDerWaalsContact O-N 3.12Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 2.79Å; K308-F310 PolarHBondContact O-N 2.98Å; K308-G311 WeakPolarHBondContact O-CA 3.5Å; K308-G311 PolarHBondContact O-N 2.74Å
309	S	88.2	Confident	81.3	Confident	9 Å²	9	65.4 Å²	65.4	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-67.8	-19.4	176.4	75	0	0	0	0	113.6	S280 K305 L306 T307 G311	S280-S309 WeakPolarHBondContact O-CA 3.45Å; S280-S309 PolarHBondContact O-N 3.3Å; K305-S309 WeakPolarHBondContact O-CB 3.37Å; K305-S309 PolarHBondContact O-N 2.92Å; L306-S309 WeakPolarHBondContact O-CB 3.15Å; L306-S309 PolarHBondContact O-N 3.36Å; L306-S309 PolarHBondContact O-OG 2.99Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-S309 PolarHBondContact O-N 3.35Å; S309-G311 VanDerWaalsContact C-N 3.26Å
310	F	83.9	Confident	80.5	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.9	168.8	-74	-72.9	0	0	0	113.4	V283 L306 T307 K308 W312 F326 V329 L330 K333 I1123	V283-F310 HydrophobicContact CG1-CE1 4.22Å; V283-F310 HydrophobicContact CG1-CE2 4.27Å; V283-F310 HydrophobicContact CG1-CZ 3.78Å; V283-F310 HydrophobicContact CG2-CD1 4.26Å; V283-F310 HydrophobicContact CG2-CE1 4.17Å; V283-F310 HydrophobicContact CG2-CZ 4.36Å; L306-F310 HydrophobicContact CD1-CD2 4.36Å; L306-F310 HydrophobicContact CD1-CE2 3.73Å; L306-F310 HydrophobicContact CG-CD2 4.26Å; L306-F310 HydrophobicContact CG-CE2 3.85Å; L306-F310 WeakPolarHBondContact O-CD2 3.49Å; L306-F310 PolarHBondContact O-N 3.06Å; T307-F310 WeakPolarHBondContact O-CB 3.43Å; T307-F310 PolarHBondContact O-N 3.48Å; T307-F310 VanDerWaalsContact O-N 3.07Å; K308-F310 PolarHBondContact O-N 2.98Å; F310-W312 HydrophobicContact CB-CD2 4.28Å; F310-W312 HydrophobicContact CB-CG 4.16Å; F310-W312 PolarHBondContact O-N 3.5Å; F310-F326 HydrophobicContact CD2-CE2 4.49Å; F310-F326 HydrophobicContact CE1-CE2 4.47Å; F310-F326 AromaticContact CE2-CE2 3.98Å; F310-F326 HydrophobicContact CE2-CE2 3.98Å; F310-F326 HydrophobicContact CE2-CZ 4.09Å; F310-F326 AromaticContact CZ-CE2 3.96Å; F310-F326 HydrophobicContact CZ-CE2 3.96Å; F310-F326 HydrophobicContact CZ-CZ 4.22Å; F310-V329 HydrophobicContact CE1-CG1 4.46Å; F310-L330 HydrophobicContact CZ-CD1 3.93Å; F310-K333 HydrophobicContact CD1-CD 4.37Å; F310-K333 HydrophobicContact CE1-CD 3.89Å; F310-I1123 HydrophobicContact CB-CG1 4.24Å; F310-I1123 HydrophobicContact CD1-CD1 3.5Å; F310-I1123 VanDerWaalsContact CD1-CD1 3.5Å; F310-I1123 HydrophobicContact CD1-CG1 3.94Å; F310-I1123 HydrophobicContact CE1-CD1 4.07Å; F310-I1123 HydrophobicContact CG-CD1 4.48Å; F310-I1123 WeakPolarHBondContact O-CG1 3.3Å; F310-I1123 WeakPolarHBondContact O-CG2 3.42Å
311	G	81.5	Confident	79.8	Confident	57 Å²	57	59.6 Å²	59.6	59%	0.588	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	16	-175.7	0	0	0	0	0	113.5	K308 S309	K308-G311 WeakPolarHBondContact O-CA 3.5Å; K308-G311 PolarHBondContact O-N 2.74Å; S309-G311 VanDerWaalsContact C-N 3.26Å
312	W	79.3	Confident	79.3	Confident	24 Å²	24	61.7 Å²	61.7	9%	0.091	32%	0.323	C	S	.	.			trans	-78.2	133.9	178.1	-65	-0.4	0	0	0	110.8	Y251 T307 F310 D316 F326	Y251-W312 HydrophobicContact CE2-CH2 4.35Å; Y251-W312 WeakPolarHBondContact OH-CH2 3.45Å; Y251-W312 WeakPolarHBondContact OH-CZ3 3.45Å; T307-W312 HydrophobicContact CG2-CE3 3.82Å; T307-W312 HydrophobicContact CG2-CZ3 4.13Å; T307-W312 WeakPolarHBondContact O-CB 3.47Å; T307-W312 PolarHBondContact O-N 2.82Å; F310-W312 HydrophobicContact CB-CD2 4.28Å; F310-W312 HydrophobicContact CB-CG 4.16Å; F310-W312 PolarHBondContact O-N 3.5Å; W312-D316 HydrophobicContact CB-CB 3.94Å; W312-D316 HydrophobicContact CG-CB 4.22Å; W312-F326 HydrophobicContact CH2-CD2 4.11Å; W312-F326 HydrophobicContact CH2-CE2 4Å; W312-F326 HydrophobicContact CZ2-CD2 4.38Å; W312-F326 HydrophobicContact CZ2-CE2 4.37Å
313	E	72.9	Confident	79	Confident	138 Å²	138	60 Å²	60	65%	0.645	31%	0.306	S	S	*	.			trans	-86	175.5	170.8	-63.9	-171	176.9	0	0	111.1	L315 D316 S317	E313-L315 PolarHBondContact O-N 3.01Å; E313-D316 PolarHBondContact N-OD2 2.94Å; E313-D316 PolarHBondContact O-N 3.09Å; E313-S317 PolarHBondContact O-N 3.3Å; E313-S317 PolarHBondContact O-OG 2.73Å
314	T	70.8	Confident	78.7	Confident	116 Å²	116	61.1 Å²	61.1	71%	0.712	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.6	-177.1	-45.7	0	0	0	0	112	F318	T314-F318 VanDerWaalsContact O-CD2 3.24Å; T314-F318 WeakPolarHBondContact O-CD2 3.46Å; T314-F318 WeakPolarHBondContact O-CE2 3.5Å
315	L	68.1	Low	78.6	Confident	137 Å²	137	57 Å²	57	72%	0.717	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-36	178.8	-68.5	173.7	0	0	0	112.3	E313 S317 F318	E313-L315 PolarHBondContact O-N 3.01Å; L315-S317 PolarHBondContact O-N 3.2Å; L315-F318 PolarHBondContact O-N 3.04Å; L315-F318 VanDerWaalsContact O-N 3.08Å
316	D	71.8	Confident	78.7	Confident	52 Å²	52	54.1 Å²	54.1	28%	0.278	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.2	-27.1	179	-56.4	-39.2	0	0	0	111.5	W312 E313 F318 M319	W312-D316 HydrophobicContact CB-CB 3.94Å; W312-D316 HydrophobicContact CG-CB 4.22Å; E313-D316 PolarHBondContact N-OD2 2.94Å; E313-D316 PolarHBondContact O-N 3.09Å; D316-F318 PolarHBondContact O-N 2.94Å; D316-F318 VanDerWaalsContact O-N 3.13Å; D316-M319 WeakPolarHBondContact O-CB 3.27Å; D316-M319 PolarHBondContact O-N 2.93Å
317	S	65.8	Low	78.8	Confident	7 Å²	7	54.1 Å²	54.1	5%	0.049	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-67.9	-9.4	175.9	-57	0	0	0	0	114	A248 E313 L315	A248-S317 PolarHBondContact N-O 3.3Å; A248-S317 VanDerWaalsContact N-O 3.09Å; E313-S317 PolarHBondContact O-N 3.3Å; E313-S317 PolarHBondContact O-OG 2.73Å; L315-S317 PolarHBondContact O-N 3.2Å
318	F	66.6	Low	78.8	Confident	125 Å²	125	58.8 Å²	58.8	55%	0.548	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-100.9	-2.5	172	-65	-86.2	0	0	0	112.9	A248 T314 L315 D316	A248-F318 WeakPolarHBondContact CB-O 3.48Å; T314-F318 VanDerWaalsContact O-CD2 3.24Å; T314-F318 WeakPolarHBondContact O-CD2 3.46Å; T314-F318 WeakPolarHBondContact O-CE2 3.5Å; L315-F318 PolarHBondContact O-N 3.04Å; L315-F318 VanDerWaalsContact O-N 3.08Å; D316-F318 PolarHBondContact O-N 2.94Å; D316-F318 VanDerWaalsContact O-N 3.13Å
319	M	67.9	Low	79	Confident	89 Å²	89	54.4 Å²	54.4	44%	0.438	28%	0.282	S	S	.	.	S	Bend	trans	-81.2	134.7	173.6	-65.8	-172.5	60	0	0	110.3	D316	D316-M319 WeakPolarHBondContact O-CB 3.27Å; D316-M319 PolarHBondContact O-N 2.93Å
320	Q	67.6	Low	79.1	Confident	88 Å²	88	54 Å²	54	41%	0.411	28%	0.279	S	S	.	.			trans	-84.1	133.6	172.2	-62.9	-169.4	-3.6	0	0	108.8	A248 G488 G489	A248-Q320 HydrophobicContact CB-CG 4.1Å; Q320-G488 VanDerWaalsContact OE1-CA 3.28Å; Q320-G489 PolarHBondContact NE2-O 2.79Å; Q320-G489 VanDerWaalsContact OE1-N 3.09Å
321	H	74.5	Confident	79.5	Confident	26 Å²	26	54.1 Å²	54.1	12%	0.12	28%	0.28	C	S	.	.			trans	-126.1	157.3	178.5	-69.2	-79.5	0	0	0	110.7	Y251 I1121	Y251-H321 HydrophobicContact CD2-CB 4.28Å; Y251-H321 HydrophobicContact CE1-CB 4.12Å; Y251-H321 HydrophobicContact CE2-CB 3.75Å; Y251-H321 AromaticContact CZ-CD2 3.83Å; Y251-H321 PolarHBondContact OH-CD2 2.79Å; H321-I1121 HydrophobicContact CB-CD1 4.33Å
322	D	81.6	Confident	79.9	Confident	45 Å²	45	55.5 Å²	55.5	24%	0.241	27%	0.274	C	S	.	.			trans	-70.9	132.7	173.8	-165.1	-83.6	0	0	0	111.4	Q324 E325 F326 Y541	D322-Q324 VanDerWaalsContact C-N 3.3Å; D322-Q324 PolarHBondContact O-N 2.62Å; D322-Q324 WeakPolarHBondContact OD1-CA 3.4Å; D322-Q324 VanDerWaalsContact OD1-CB 3.24Å; D322-Q324 WeakPolarHBondContact OD1-CB 3.2Å; D322-Q324 PolarHBondContact OD1-N 3.37Å; D322-E325 HydrophobicContact CB-CB 4.15Å; D322-E325 PolarHBondContact O-N 2.82Å; D322-E325 PolarHBondContact OD1-N 2.76Å; D322-F326 PolarHBondContact O-N 2.86Å; D322-F326 VanDerWaalsContact O-N 3.11Å; D322-Y541 VanDerWaalsContact CG-OH 3.3Å; D322-Y541 PolarHBondContact OD1-OH 2.76Å; D322-Y541 PolarHBondContact OD2-OH 3Å
323	V	84.1	Confident	80.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-39	179.2	174.6	0	0	0	0	111.7	L255 F326 L327 L480 Y491 Y541 M542	L255-V323 HydrophobicContact CB-CG1 4.35Å; L255-V323 HydrophobicContact CD1-CG1 3.96Å; V323-F326 PolarHBondContact O-N 2.85Å; V323-L327 WeakPolarHBondContact O-CB 3.32Å; V323-L327 PolarHBondContact O-N 3.32Å; V323-L480 HydrophobicContact CG1-CD2 3.68Å; V323-Y491 HydrophobicContact CG2-CD1 3.68Å; V323-Y491 HydrophobicContact CG2-CE1 3.39Å; V323-Y491 HydrophobicContact CG2-CE2 4.44Å; V323-Y491 HydrophobicContact CG2-CG 4.32Å; V323-Y541 HydrophobicContact CB-CD1 4.4Å; V323-Y541 HydrophobicContact CB-CE1 4.21Å; V323-Y541 HydrophobicContact CG2-CD1 4.49Å; V323-M542 HydrophobicContact CG1-SD 4.05Å
324	Q	85.1	Confident	81.2	Confident	25 Å²	25	49.9 Å²	49.9	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-71.6	-41.3	-176.7	-176.8	-88.4	-8.2	0	0	111	D322 F326 L327 R328 D376 H432	D322-Q324 VanDerWaalsContact C-N 3.3Å; D322-Q324 PolarHBondContact O-N 2.62Å; D322-Q324 WeakPolarHBondContact OD1-CA 3.4Å; D322-Q324 VanDerWaalsContact OD1-CB 3.24Å; D322-Q324 WeakPolarHBondContact OD1-CB 3.2Å; D322-Q324 PolarHBondContact OD1-N 3.37Å; Q324-F326 VanDerWaalsContact C-N 3.35Å; Q324-F326 PolarHBondContact O-N 2.83Å; Q324-L327 PolarHBondContact O-N 3.49Å; Q324-R328 PolarHBondContact O-N 2.7Å; Q324-R328 VanDerWaalsContact O-N 3.11Å; Q324-D376 PolarHBondContact NE2-OD2 3.21Å; Q324-H432 HydrophobicContact CG-CB 4.48Å
325	E	86.3	Confident	82.2	Confident	64 Å²	64	46 Å²	46	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-47.5	173.7	-172	-175.3	-179.9	0	0	110.3	D322 L327 R328 V329 I1121	D322-E325 HydrophobicContact CB-CB 4.15Å; D322-E325 PolarHBondContact O-N 2.82Å; D322-E325 PolarHBondContact OD1-N 2.76Å; E325-L327 VanDerWaalsContact C-N 3.34Å; E325-L327 PolarHBondContact O-N 3.14Å; E325-R328 PolarHBondContact O-N 3.19Å; E325-V329 VanDerWaalsContact O-CG2 3.31Å; E325-V329 WeakPolarHBondContact O-CG2 3.43Å; E325-V329 PolarHBondContact O-N 3.13Å; E325-V329 VanDerWaalsContact O-N 3.12Å; E325-I1121 HydrophobicContact CG-CD1 4.24Å; E325-I1121 PolarHBondContact OE1-N 2.87Å
326	F	89.6	Confident	83.2	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-38.9	179	-179	-111.2	0	0	0	112.6	Y251 M252 L255 F310 W312 D322 V323 Q324 V329 L330	Y251-F326 HydrophobicContact CD2-CB 4.39Å; Y251-F326 HydrophobicContact CD2-CD1 4.44Å; Y251-F326 HydrophobicContact CD2-CG 4.45Å; Y251-F326 HydrophobicContact CE2-CB 4.22Å; Y251-F326 HydrophobicContact CE2-CD1 4.33Å; Y251-F326 HydrophobicContact CE2-CD2 4.45Å; Y251-F326 HydrophobicContact CE2-CG 4.07Å; M252-F326 HydrophobicContact CB-CD1 4.41Å; M252-F326 HydrophobicContact CB-CE1 3.95Å; M252-F326 HydrophobicContact CB-CZ 4.31Å; M252-F326 HydrophobicContact CG-CE1 3.59Å; M252-F326 HydrophobicContact CG-CZ 3.68Å; M252-F326 HydrophobicContact SD-CE1 4.46Å; M252-F326 HydrophobicContact SD-CZ 3.94Å; L255-F326 HydrophobicContact CD2-CD1 3.47Å; L255-F326 VanDerWaalsContact CD2-CD1 3.47Å; L255-F326 HydrophobicContact CD2-CE1 3.91Å; L255-F326 HydrophobicContact CD2-CG 4.49Å; F310-F326 HydrophobicContact CD2-CE2 4.49Å; F310-F326 HydrophobicContact CE1-CE2 4.47Å; F310-F326 AromaticContact CE2-CE2 3.98Å; F310-F326 HydrophobicContact CE2-CE2 3.98Å; F310-F326 HydrophobicContact CE2-CZ 4.09Å; F310-F326 AromaticContact CZ-CE2 3.96Å; F310-F326 HydrophobicContact CZ-CE2 3.96Å; F310-F326 HydrophobicContact CZ-CZ 4.22Å; W312-F326 HydrophobicContact CH2-CD2 4.11Å; W312-F326 HydrophobicContact CH2-CE2 4Å; W312-F326 HydrophobicContact CZ2-CD2 4.38Å; W312-F326 HydrophobicContact CZ2-CE2 4.37Å; D322-F326 PolarHBondContact O-N 2.86Å; D322-F326 VanDerWaalsContact O-N 3.11Å; V323-F326 PolarHBondContact O-N 2.85Å; Q324-F326 VanDerWaalsContact C-N 3.35Å; Q324-F326 PolarHBondContact O-N 2.83Å; F326-V329 PolarHBondContact O-N 2.93Å; F326-L330 HydrophobicContact CE1-CD2 4.4Å; F326-L330 WeakPolarHBondContact O-CB 3.48Å; F326-L330 PolarHBondContact O-N 3.21Å
327	L	92.1	Very high	84	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-49.4	175.6	173.6	60.4	0	0	0	112.1	L255 L259 V323 Q324 E325 V329 L330 L331 H430 M542	L255-L327 HydrophobicContact CD1-CB 4.12Å; L255-L327 HydrophobicContact CD1-CD1 4.02Å; L255-L327 HydrophobicContact CD1-CD2 4.41Å; L255-L327 HydrophobicContact CD1-CG 4.38Å; L255-L327 HydrophobicContact CD2-CB 3.63Å; L255-L327 HydrophobicContact CD2-CD1 4.04Å; L255-L327 HydrophobicContact CD2-CG 4.41Å; L255-L327 HydrophobicContact CG-CD1 4.4Å; L259-L327 HydrophobicContact CD1-CD1 4.22Å; L259-L327 HydrophobicContact CD2-CD1 4Å; V323-L327 WeakPolarHBondContact O-CB 3.32Å; V323-L327 PolarHBondContact O-N 3.32Å; Q324-L327 PolarHBondContact O-N 3.49Å; E325-L327 VanDerWaalsContact C-N 3.34Å; E325-L327 PolarHBondContact O-N 3.14Å; L327-V329 VanDerWaalsContact C-N 3.34Å; L327-V329 PolarHBondContact O-N 3.38Å; L327-L330 PolarHBondContact O-N 3.3Å; L327-L331 HydrophobicContact CD1-CD1 3.69Å; L327-L331 HydrophobicContact CD1-CD2 4.31Å; L327-L331 HydrophobicContact CD1-CG 3.72Å; L327-L331 HydrophobicContact CG-CD1 4.02Å; L327-L331 HydrophobicContact CG-CG 4.36Å; L327-L331 WeakPolarHBondContact O-CB 3.44Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 2.99Å; L327-H430 VanDerWaalsContact CD2-ND1 3.31Å; L327-H430 WeakPolarHBondContact CD2-ND1 3.37Å; L327-M542 HydrophobicContact CD2-CE 3.38Å; L327-M542 HydrophobicContact CD2-SD 4.44Å
328	R	90.3	Very high	85.2	Confident	103 Å²	103	45.2 Å²	45.2	39%	0.389	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-46.2	-179.8	-69.8	-174.8	70	121.9	0.7	111.4	Q324 E325 L330 L331 D332 D376	Q324-R328 PolarHBondContact O-N 2.7Å; Q324-R328 VanDerWaalsContact O-N 3.11Å; E325-R328 PolarHBondContact O-N 3.19Å; R328-L330 VanDerWaalsContact C-N 3.31Å; R328-L330 PolarHBondContact O-N 3.07Å; R328-L331 PolarHBondContact O-N 3.43Å; R328-D332 WeakPolarHBondContact O-CB 3.44Å; R328-D332 VanDerWaalsContact O-CG 3.23Å; R328-D332 PolarHBondContact O-N 2.93Å; R328-D376 IonicContact NH1-OD1 3.7Å; R328-D376 IonicContact NH1-OD2 3.7Å
329	V	90.3	Very high	86.3	Confident	33 Å²	33	44.7 Å²	44.7	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-41.8	177.8	169.9	0	0	0	0	111.8	F310 E325 F326 L327 K333 I1123	F310-V329 HydrophobicContact CE1-CG1 4.46Å; E325-V329 VanDerWaalsContact O-CG2 3.31Å; E325-V329 WeakPolarHBondContact O-CG2 3.43Å; E325-V329 PolarHBondContact O-N 3.13Å; E325-V329 VanDerWaalsContact O-N 3.12Å; F326-V329 PolarHBondContact O-N 2.93Å; L327-V329 VanDerWaalsContact C-N 3.34Å; L327-V329 PolarHBondContact O-N 3.38Å; V329-K333 WeakPolarHBondContact O-CG 3.06Å; V329-K333 PolarHBondContact O-N 3.35Å; V329-I1123 HydrophobicContact CG1-CD1 3.22Å
330	L	91.6	Very high	87.1	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-46.7	178	175.9	61.2	0	0	0	111.5	L256 L259 V283 L287 F310 F326 L327 R328 K333 L334	L256-L330 HydrophobicContact CD2-CD2 4.49Å; L259-L330 HydrophobicContact CD1-CD2 3.46Å; L259-L330 VanDerWaalsContact CD1-CD2 3.46Å; L259-L330 HydrophobicContact CD1-CG 4.46Å; V283-L330 HydrophobicContact CG1-CD1 4.06Å; L287-L330 HydrophobicContact CD2-CD1 4.47Å; F310-L330 HydrophobicContact CZ-CD1 3.93Å; F326-L330 HydrophobicContact CE1-CD2 4.4Å; F326-L330 WeakPolarHBondContact O-CB 3.48Å; F326-L330 PolarHBondContact O-N 3.21Å; L327-L330 PolarHBondContact O-N 3.3Å; R328-L330 VanDerWaalsContact C-N 3.31Å; R328-L330 PolarHBondContact O-N 3.07Å; L330-K333 PolarHBondContact O-N 3.43Å; L330-L334 HydrophobicContact CD1-CD1 4.18Å; L330-L334 HydrophobicContact CD1-CG 4.28Å; L330-L334 HydrophobicContact CG-CD1 4.24Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.04Å
331	L	91.7	Very high	88.2	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-44	178.8	-70.1	-178.2	0	0	0	111.8	L327 R328 K333 L334 E335 I347 F351 Y375	L327-L331 HydrophobicContact CD1-CD1 3.69Å; L327-L331 HydrophobicContact CD1-CD2 4.31Å; L327-L331 HydrophobicContact CD1-CG 3.72Å; L327-L331 HydrophobicContact CG-CD1 4.02Å; L327-L331 HydrophobicContact CG-CG 4.36Å; L327-L331 WeakPolarHBondContact O-CB 3.44Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 2.99Å; R328-L331 PolarHBondContact O-N 3.43Å; L331-K333 VanDerWaalsContact C-N 3.31Å; L331-K333 PolarHBondContact O-N 2.8Å; L331-L334 PolarHBondContact O-N 2.86Å; L331-E335 WeakPolarHBondContact O-CB 3.35Å; L331-E335 PolarHBondContact O-N 2.98Å; L331-I347 HydrophobicContact CB-CG2 4.24Å; L331-I347 HydrophobicContact CD2-CD1 4.25Å; L331-I347 HydrophobicContact CD2-CG2 4.29Å; L331-F351 HydrophobicContact CD1-CD2 4.42Å; L331-F351 HydrophobicContact CD2-CD2 4.34Å; L331-F351 HydrophobicContact CD2-CE2 4.1Å; L331-Y375 HydrophobicContact CD1-CD1 4.4Å
332	D	90.2	Very high	88.7	Confident	86 Å²	86	48 Å²	48	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-40.5	178.4	-74.8	-10.3	0	0	0	111.5	R328 S336	R328-D332 WeakPolarHBondContact O-CB 3.44Å; R328-D332 VanDerWaalsContact O-CG 3.23Å; R328-D332 PolarHBondContact O-N 2.93Å; D332-S336 VanDerWaalsContact O-CB 3.32Å; D332-S336 WeakPolarHBondContact O-CB 3.4Å; D332-S336 PolarHBondContact O-N 3.35Å
333	K	89.3	Confident	89.1	Confident	43 Å²	43	46.3 Å²	46.3	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-41.1	175.9	-80	-168.1	173.7	-158.9	0	113	V283 F310 V329 L330 L331 K337	V283-K333 HydrophobicContact CG2-CD 4.04Å; F310-K333 HydrophobicContact CD1-CD 4.37Å; F310-K333 HydrophobicContact CE1-CD 3.89Å; V329-K333 WeakPolarHBondContact O-CG 3.06Å; V329-K333 PolarHBondContact O-N 3.35Å; L330-K333 PolarHBondContact O-N 3.43Å; L331-K333 VanDerWaalsContact C-N 3.31Å; L331-K333 PolarHBondContact O-N 2.8Å; K333-K337 WeakPolarHBondContact O-CB 3.48Å; K333-K337 PolarHBondContact O-N 3.19Å
334	L	90.3	Very high	89.4	Confident	1 Å²	1	52 Å²	52	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-45.3	176.2	-69.5	175	0	0	0	110.6	V269 I272 L287 L330 L331 S336 K337 M338 I347	V269-L334 HydrophobicContact CG2-CD1 4.47Å; I272-L334 HydrophobicContact CD1-CD2 3.97Å; L287-L334 HydrophobicContact CD2-CD1 3.69Å; L287-L334 HydrophobicContact CD2-CD2 3.87Å; L287-L334 HydrophobicContact CD2-CG 4.35Å; L330-L334 HydrophobicContact CD1-CD1 4.18Å; L330-L334 HydrophobicContact CD1-CG 4.28Å; L330-L334 HydrophobicContact CG-CD1 4.24Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.04Å; L331-L334 PolarHBondContact O-N 2.86Å; L334-S336 VanDerWaalsContact C-N 3.34Å; L334-S336 PolarHBondContact O-N 2.83Å; L334-K337 PolarHBondContact O-N 3.24Å; L334-K337 VanDerWaalsContact O-N 3.13Å; L334-M338 HydrophobicContact CB-CE 4.48Å; L334-M338 VanDerWaalsContact O-CG 3.28Å; L334-M338 WeakPolarHBondContact O-CG 3.45Å; L334-M338 PolarHBondContact O-N 3.03Å; L334-I347 HydrophobicContact CB-CD1 4.46Å
335	E	91	Very high	89.6	Confident	35 Å²	35	52.7 Å²	52.7	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-47.3	175.9	-167.9	-161.5	123.7	0	0	110.5	L331 K337 M338 K339 I347 Y375	L331-E335 WeakPolarHBondContact O-CB 3.35Å; L331-E335 PolarHBondContact O-N 2.98Å; E335-K337 VanDerWaalsContact C-N 3.26Å; E335-K337 PolarHBondContact O-N 3.46Å; E335-M338 PolarHBondContact O-N 3.35Å; E335-M338 VanDerWaalsContact O-N 3.11Å; E335-K339 WeakPolarHBondContact O-CG 3.38Å; E335-K339 PolarHBondContact O-N 3.46Å; E335-K339 WeakPolarHBondContact OE1-CE 3.39Å; E335-K339 IonicContact OE1-NZ 2.69Å; E335-K339 PolarHBondContact OE1-NZ 2.88Å; E335-I347 HydrophobicContact CB-CB 4.2Å; E335-I347 HydrophobicContact CB-CG1 4.28Å; E335-I347 HydrophobicContact CB-CG2 4.34Å; E335-I347 HydrophobicContact CG-CB 4.34Å; E335-Y375 PolarHBondContact OE2-OH 3.23Å
336	S	89.8	Confident	89.8	Confident	79 Å²	79	51 Å²	51	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-61.1	-33.2	177.3	-172.9	0	0	0	0	113.3	D332 L334	D332-S336 VanDerWaalsContact O-CB 3.32Å; D332-S336 WeakPolarHBondContact O-CB 3.4Å; D332-S336 PolarHBondContact O-N 3.35Å; L334-S336 VanDerWaalsContact C-N 3.34Å; L334-S336 PolarHBondContact O-N 2.83Å
337	K	87.9	Confident	90	Very high	98 Å²	98	51 Å²	51	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-78.3	-25.5	175.9	-83	-74.4	-173.4	164.5	0	113.1	D277 K333 L334 E335	D277-K337 IonicContact OD1-NZ 3.54Å; D277-K337 PolarHBondContact OD1-NZ 2.93Å; D277-K337 IonicContact OD2-NZ 2.74Å; D277-K337 PolarHBondContact OD2-NZ 3.15Å; K333-K337 WeakPolarHBondContact O-CB 3.48Å; K333-K337 PolarHBondContact O-N 3.19Å; L334-K337 PolarHBondContact O-N 3.24Å; L334-K337 VanDerWaalsContact O-N 3.13Å; E335-K337 VanDerWaalsContact C-N 3.26Å; E335-K337 PolarHBondContact O-N 3.46Å
338	M	90.8	Very high	90.1	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-83	-17.9	176.2	-68.8	176.7	-173.2	0	0	113.1	I272 L334 E335 G340 T341 L343 E344 I347	I272-M338 HydrophobicContact CD1-CE 3.59Å; I272-M338 HydrophobicContact CD1-CG 4.47Å; I272-M338 HydrophobicContact CG1-CE 3.84Å; I272-M338 HydrophobicContact CG1-CG 4.25Å; L334-M338 HydrophobicContact CB-CE 4.48Å; L334-M338 VanDerWaalsContact O-CG 3.28Å; L334-M338 WeakPolarHBondContact O-CG 3.45Å; L334-M338 PolarHBondContact O-N 3.03Å; E335-M338 PolarHBondContact O-N 3.35Å; E335-M338 VanDerWaalsContact O-N 3.11Å; M338-G340 PolarHBondContact O-N 2.87Å; M338-T341 WeakPolarHBondContact O-CB 3.33Å; M338-T341 PolarHBondContact O-N 3.5Å; M338-T341 VanDerWaalsContact O-N 3.11Å; M338-T341 PolarHBondContact O-OG1 2.81Å; M338-L343 HydrophobicContact CB-CB 4.26Å; M338-L343 HydrophobicContact CG-CB 4.11Å; M338-L343 HydrophobicContact SD-CB 4.29Å; M338-E344 PolarHBondContact O-N 3.32Å; M338-I347 HydrophobicContact CE-CD1 4.31Å; M338-I347 HydrophobicContact CE-CG1 4.46Å; M338-I347 HydrophobicContact SD-CD1 4.33Å; M338-I347 HydrophobicContact SD-CG1 3.9Å
339	K	90.2	Very high	90.3	Very high	114 Å²	114	49 Å²	49	50%	0.496	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	132.7	175.8	-79.2	174.5	-174.8	169	0	111.5	E335 T341	E335-K339 WeakPolarHBondContact O-CG 3.38Å; E335-K339 PolarHBondContact O-N 3.46Å; E335-K339 WeakPolarHBondContact OE1-CE 3.39Å; E335-K339 IonicContact OE1-NZ 2.69Å; E335-K339 PolarHBondContact OE1-NZ 2.88Å; K339-T341 VanDerWaalsContact C-N 3.27Å; K339-T341 PolarHBondContact O-N 3.5Å
340	G	85.3	Confident	90.5	Very high	73 Å²	73	47.6 Å²	47.6	75%	0.753	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	6.9	-176.9	0	0	0	0	0	114.8	M338 E344	M338-G340 PolarHBondContact O-N 2.87Å; G340-E344 PolarHBondContact N-OE2 2.86Å
341	T	89.6	Confident	90.7	Very high	38 Å²	38	47.6 Å²	47.6	23%	0.233	28%	0.281	C	S	.	.	S	Bend	trans	-109.8	172.6	173.5	76.7	0	0	0	0	110.9	P273 M338 K339 L343 E344	P273-T341 HydrophobicContact CG-CG2 3.83Å; M338-T341 WeakPolarHBondContact O-CB 3.33Å; M338-T341 PolarHBondContact O-N 3.5Å; M338-T341 VanDerWaalsContact O-N 3.11Å; M338-T341 PolarHBondContact O-OG1 2.81Å; K339-T341 VanDerWaalsContact C-N 3.27Å; K339-T341 PolarHBondContact O-N 3.5Å; T341-L343 PolarHBondContact O-N 2.95Å; T341-L343 VanDerWaalsContact O-N 3.07Å; T341-L343 PolarHBondContact OG1-N 2.88Å; T341-L343 VanDerWaalsContact OG1-N 3.15Å; T341-E344 WeakPolarHBondContact O-CB 3.37Å; T341-E344 PolarHBondContact O-N 3Å; T341-E344 VanDerWaalsContact O-N 3.16Å
342	I	86.4	Confident	90.9	Very high	160 Å²	160	50.2 Å²	50.2	82%	0.821	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.3	172.9	63.8	171.2	0	0	0	113.7
343	L	88.4	Confident	91.1	Very high	11 Å²	11	46.1 Å²	46.1	6%	0.058	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.1	-179	-56.2	174.2	0	0	0	112.7	S268 R271 I272 M338 T341 G345 T346	S268-L343 VanDerWaalsContact O-CD1 3.22Å; S268-L343 WeakPolarHBondContact O-CD1 3.49Å; R271-L343 HydrophobicContact CB-CD1 3.76Å; R271-L343 HydrophobicContact CB-CD2 4.05Å; R271-L343 HydrophobicContact CB-CG 4.39Å; I272-L343 HydrophobicContact CG1-CD1 4.14Å; M338-L343 HydrophobicContact CB-CB 4.26Å; M338-L343 HydrophobicContact CG-CB 4.11Å; M338-L343 HydrophobicContact SD-CB 4.29Å; T341-L343 PolarHBondContact O-N 2.95Å; T341-L343 VanDerWaalsContact O-N 3.07Å; T341-L343 PolarHBondContact OG1-N 2.88Å; T341-L343 VanDerWaalsContact OG1-N 3.15Å; L343-G345 PolarHBondContact O-N 3.42Å; L343-T346 VanDerWaalsContact O-CB 3.31Å; L343-T346 WeakPolarHBondContact O-CB 3.29Å; L343-T346 PolarHBondContact O-N 2.86Å; L343-T346 VanDerWaalsContact O-N 3.07Å; L343-T346 PolarHBondContact O-OG1 3.36Å
344	E	90.7	Very high	91.3	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.561	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	133.4	178.2	-174.4	168.2	171.9	0	0	110.9	M338 G340 T341 T346	M338-E344 PolarHBondContact O-N 3.32Å; G340-E344 PolarHBondContact N-OE2 2.86Å; T341-E344 WeakPolarHBondContact O-CB 3.37Å; T341-E344 PolarHBondContact O-N 3Å; T341-E344 VanDerWaalsContact O-N 3.16Å; E344-T346 VanDerWaalsContact C-N 3.33Å; E344-T346 PolarHBondContact O-N 3.38Å
345	G	89.4	Confident	91.5	Very high	39 Å²	39	49.8 Å²	49.8	40%	0.402	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	0.6	-177.7	0	0	0	0	0	115.5	L343 G349	L343-G345 PolarHBondContact O-N 3.42Å; G345-G349 PolarHBondContact O-N 3.16Å
346	T	91.8	Very high	91.6	Very high	28 Å²	28	48.6 Å²	48.6	17%	0.172	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-48.1	175.8	-59.8	0	0	0	0	112.1	S268 L343 E344 G349 L350	S268-T346 VanDerWaalsContact OG-CG2 3.25Å; S268-T346 WeakPolarHBondContact OG-CG2 3.21Å; L343-T346 VanDerWaalsContact O-CB 3.31Å; L343-T346 WeakPolarHBondContact O-CB 3.29Å; L343-T346 PolarHBondContact O-N 2.86Å; L343-T346 VanDerWaalsContact O-N 3.07Å; L343-T346 PolarHBondContact O-OG1 3.36Å; E344-T346 VanDerWaalsContact C-N 3.33Å; E344-T346 PolarHBondContact O-N 3.38Å; T346-G349 PolarHBondContact O-N 3.24Å; T346-L350 HydrophobicContact CG2-CD1 4.14Å; T346-L350 PolarHBondContact O-N 3.39Å; T346-L350 VanDerWaalsContact O-N 3.1Å
347	I	93.3	Very high	91.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-51.8	-178.4	-60.7	-60.5	0	0	0	110.7	L265 L331 L334 E335 M338 G349 L350 F351 Y375	L265-I347 HydrophobicContact CD1-CD1 3.38Å; L331-I347 HydrophobicContact CB-CG2 4.24Å; L331-I347 HydrophobicContact CD2-CD1 4.25Å; L331-I347 HydrophobicContact CD2-CG2 4.29Å; L334-I347 HydrophobicContact CB-CD1 4.46Å; E335-I347 HydrophobicContact CB-CB 4.2Å; E335-I347 HydrophobicContact CB-CG1 4.28Å; E335-I347 HydrophobicContact CB-CG2 4.34Å; E335-I347 HydrophobicContact CG-CB 4.34Å; M338-I347 HydrophobicContact CE-CD1 4.31Å; M338-I347 HydrophobicContact CE-CG1 4.46Å; M338-I347 HydrophobicContact SD-CD1 4.33Å; M338-I347 HydrophobicContact SD-CG1 3.9Å; I347-G349 VanDerWaalsContact C-N 3.31Å; I347-G349 PolarHBondContact O-N 3.08Å; I347-L350 PolarHBondContact O-N 2.85Å; I347-F351 HydrophobicContact CG2-CD2 4.28Å; I347-F351 WeakPolarHBondContact O-CD2 3.45Å; I347-F351 PolarHBondContact O-N 3.36Å; I347-F351 VanDerWaalsContact O-N 3.08Å; I347-Y375 HydrophobicContact CG2-CE1 3.81Å
348	P	93.8	Very high	91.9	Very high	26 Å²	26	44 Å²	44	17%	0.169	26%	0.255	C	S	.	.	H	α-helix	trans	-55.1	-44	170.1	-24.1	27.2	0	0	0	113.2	L350 F351 E352 Y375	P348-L350 PolarHBondContact O-N 2.82Å; P348-L350 VanDerWaalsContact O-N 3.13Å; P348-F351 PolarHBondContact O-N 2.94Å; P348-E352 HydrophobicContact CB-CB 3.99Å; P348-E352 WeakPolarHBondContact O-CA 3.41Å; P348-E352 WeakPolarHBondContact O-CB 3.36Å; P348-E352 PolarHBondContact O-N 2.87Å; P348-Y375 WeakPolarHBondContact CG-OH 3.14Å
349	G	93.7	Very high	92	Very high	38 Å²	38	45.2 Å²	45.2	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-21.2	-177.9	0	0	0	0	0	115.1	G345 T346 I347 P427	G345-G349 PolarHBondContact O-N 3.16Å; T346-G349 PolarHBondContact O-N 3.24Å; I347-G349 VanDerWaalsContact C-N 3.31Å; I347-G349 PolarHBondContact O-N 3.08Å; G349-P427 WeakPolarHBondContact O-CG 3.49Å
350	L	94.9	Very high	92.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-98.3	-36.2	177.7	-72	174.4	0	0	0	113.3	L265 T346 I347 P348 P427 V428 V554	L265-L350 HydrophobicContact CB-CD1 4.04Å; T346-L350 HydrophobicContact CG2-CD1 4.14Å; T346-L350 PolarHBondContact O-N 3.39Å; T346-L350 VanDerWaalsContact O-N 3.1Å; I347-L350 PolarHBondContact O-N 2.85Å; P348-L350 PolarHBondContact O-N 2.82Å; P348-L350 VanDerWaalsContact O-N 3.13Å; L350-P427 WeakPolarHBondContact O-CD 3.32Å; L350-V428 PolarHBondContact O-N 2.94Å; L350-V554 HydrophobicContact CD2-CG2 4.32Å
351	F	96.3	Very high	92.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-122.3	-15.2	-166.6	-57.6	-74.4	0	0	0	114.5	L259 T262 L265 L331 I347 P348 G353 Y375 P426 V428 H430	L259-F351 HydrophobicContact CD2-CZ 4.43Å; T262-F351 HydrophobicContact CG2-CZ 4.33Å; L265-F351 HydrophobicContact CD1-CE2 4.4Å; L265-F351 HydrophobicContact CD2-CE2 4.12Å; L265-F351 HydrophobicContact CD2-CZ 3.98Å; L331-F351 HydrophobicContact CD1-CD2 4.42Å; L331-F351 HydrophobicContact CD2-CD2 4.34Å; L331-F351 HydrophobicContact CD2-CE2 4.1Å; I347-F351 HydrophobicContact CG2-CD2 4.28Å; I347-F351 WeakPolarHBondContact O-CD2 3.45Å; I347-F351 PolarHBondContact O-N 3.36Å; I347-F351 VanDerWaalsContact O-N 3.08Å; P348-F351 PolarHBondContact O-N 2.94Å; F351-G353 PolarHBondContact O-N 2.91Å; F351-Y375 HydrophobicContact CB-CD1 3.57Å; F351-Y375 HydrophobicContact CB-CE1 3.99Å; F351-P426 VanDerWaalsContact C-CB 3.47Å; F351-P426 WeakPolarHBondContact O-CB 3.06Å; F351-V428 HydrophobicContact CD1-CB 3.78Å; F351-V428 HydrophobicContact CD1-CG1 3.99Å; F351-V428 HydrophobicContact CE1-CB 3.68Å; F351-V428 HydrophobicContact CE1-CG1 3.59Å; F351-V428 HydrophobicContact CE1-CG2 4.32Å; F351-H430 AromaticContact CD1-CE1 3.5Å; F351-H430 VanDerWaalsContact CD1-CE1 3.5Å; F351-H430 WeakPolarHBondContact CD1-CE1 3.44Å; F351-H430 AromaticContact CD1-ND1 3.99Å; F351-H430 AromaticContact CD1-NE2 3.98Å; F351-H430 AromaticContact CE1-CE1 3.36Å; F351-H430 WeakPolarHBondContact CE1-CE1 3.37Å; F351-H430 AromaticContact CE1-NE2 3.61Å
352	E	95.3	Very high	92.3	Very high	59 Å²	59	46.1 Å²	46.1	28%	0.276	24%	0.242	S	C	.	.			trans	-77.4	115.7	-178.5	-173.2	-174.9	96.8	0	0	111.3	P348 K354 T373 F374	P348-E352 HydrophobicContact CB-CB 3.99Å; P348-E352 WeakPolarHBondContact O-CA 3.41Å; P348-E352 WeakPolarHBondContact O-CB 3.36Å; P348-E352 PolarHBondContact O-N 2.87Å; E352-K354 WeakPolarHBondContact OE1-CE 3.31Å; E352-T373 HydrophobicContact CG-CG2 3.88Å; E352-F374 WeakPolarHBondContact CA-O 3.18Å
353	G	94.5	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	166.2	162.7	0	0	0	0	0	111.9	F351 T373 F374 S424	F351-G353 PolarHBondContact O-N 2.91Å; G353-T373 CarbonylContact O-C 3.59Å; G353-T373 VanDerWaalsContact O-CA 3.27Å; G353-T373 WeakPolarHBondContact O-CA 3.5Å; G353-F374 VanDerWaalsContact C-CE1 3.4Å; G353-F374 PolarHBondContact N-O 3.25Å; G353-F374 PolarHBondContact O-N 2.84Å; G353-S424 WeakPolarHBondContact CA-O 3.42Å
354	K	94.6	Very high	92.3	Very high	101 Å²	101	45.2 Å²	45.2	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.5	178.5	-63.4	178.5	-178.4	175.2	0	110.2	E352 T373 T423 S424	E352-K354 WeakPolarHBondContact OE1-CE 3.31Å; K354-T373 HydrophobicContact CG-CG2 4.19Å; K354-T423 WeakPolarHBondContact CB-OG1 3.18Å; K354-T423 PolarHBondContact O-N 2.98Å; K354-T423 PolarHBondContact O-OG1 2.93Å; K354-S424 WeakPolarHBondContact CB-OG 3.24Å; K354-S424 PolarHBondContact N-O 3.35Å; K354-S424 PolarHBondContact O-N 3.49Å
355	M	94.2	Very high	92.1	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.2	175.8	64.2	-178.1	179.8	0	0	110.6	E372 F374 V420 I421 F422	M355-E372 HydrophobicContact CE-CB 4.16Å; M355-E372 HydrophobicContact CG-CB 4.36Å; M355-E372 PolarHBondContact N-O 3.28Å; M355-E372 PolarHBondContact O-N 3.25Å; M355-E372 VanDerWaalsContact O-O 3.05Å; M355-F374 HydrophobicContact CB-CD1 4.21Å; M355-F374 HydrophobicContact CB-CE1 4.2Å; M355-F374 HydrophobicContact CG-CD1 3.99Å; M355-F374 HydrophobicContact CG-CE1 4.49Å; M355-F374 HydrophobicContact SD-CD1 4.08Å; M355-V420 HydrophobicContact CB-CG1 4.2Å; M355-V420 HydrophobicContact CG-CG1 4.4Å; M355-V420 HydrophobicContact SD-CG1 3.91Å; M355-I421 CarbonylContact C-O 3.55Å; M355-I421 WeakPolarHBondContact CA-O 3.31Å; M355-F422 HydrophobicContact CB-CD1 4.16Å
356	S	93.1	Very high	92.1	Very high	11 Å²	11	49 Å²	49	8%	0.077	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.2	173.3	62.8	0	0	0	0	110.2	R370 I421	S356-R370 CarbonylContact C-O 3.5Å; S356-R370 WeakPolarHBondContact CA-O 3.37Å; S356-I421 PolarHBondContact N-O 3.49Å; S356-I421 PolarHBondContact O-N 2.75Å; S356-I421 PolarHBondContact OG-O 3.38Å
357	S	92.6	Very high	91.9	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120	168.2	-71.5	0	0	0	0	108.9	T369 R370 G419	S357-T369 WeakPolarHBondContact O-CA 3.2Å; S357-R370 PolarHBondContact N-O 3.2Å; S357-R370 PolarHBondContact O-N 3.22Å; S357-G419 CarbonylContact C-O 3.52Å; S357-G419 WeakPolarHBondContact CA-O 3.44Å
358	Y	92.1	Very high	91.7	Very high	62 Å²	62	55.1 Å²	55.1	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	146.4	176.4	72.4	-90.5	0	0	0	110.9	S368 K418 G419 I421	Y358-S368 CarbonylContact C-O 3.55Å; Y358-S368 WeakPolarHBondContact CA-O 3.34Å; Y358-K418 CarbonylContact O-C 3.59Å; Y358-K418 VanDerWaalsContact O-CA 3.3Å; Y358-K418 WeakPolarHBondContact O-CA 3.26Å; Y358-G419 WeakPolarHBondContact CD1-O 3.48Å; Y358-G419 VanDerWaalsContact CE1-C 3.48Å; Y358-G419 VanDerWaalsContact CE1-CA 3.5Å; Y358-G419 PolarHBondContact N-O 2.79Å; Y358-G419 PolarHBondContact O-N 3.12Å; Y358-I421 HydrophobicContact CD1-CD1 3.8Å; Y358-I421 HydrophobicContact CD1-CG1 3.91Å; Y358-I421 HydrophobicContact CE1-CD1 3.7Å; Y358-I421 HydrophobicContact CE1-CG1 3.71Å
359	I	91.9	Very high	91.5	Very high	28 Å²	28	57.4 Å²	57.4	14%	0.144	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.1	172.7	-58.5	176.9	0	0	0	107	N367 S368 Y406 A416 S417 K418	I359-N367 CarbonylContact O-C 3.56Å; I359-N367 VanDerWaalsContact O-CA 3.31Å; I359-N367 WeakPolarHBondContact O-CA 3.33Å; I359-S368 PolarHBondContact N-O 3.47Å; I359-S368 PolarHBondContact O-N 3.45Å; I359-Y406 HydrophobicContact CD1-CD2 3.74Å; I359-Y406 HydrophobicContact CD1-CE2 3.39Å; I359-Y406 HydrophobicContact CG2-CD1 3.76Å; I359-Y406 HydrophobicContact CG2-CD2 4.06Å; I359-Y406 HydrophobicContact CG2-CE1 3.94Å; I359-Y406 HydrophobicContact CG2-CE2 4.25Å; I359-Y406 HydrophobicContact CG2-CG 3.81Å; I359-A416 HydrophobicContact CG2-CB 3.72Å; I359-S417 CarbonylContact C-O 3.6Å; I359-S417 WeakPolarHBondContact CA-O 3.21Å; I359-K418 HydrophobicContact CG1-CB 4.29Å; I359-K418 HydrophobicContact CG1-CG 4.08Å
360	K	91.6	Very high	91.5	Very high	127 Å²	127	63.3 Å²	63.3	55%	0.552	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.7	178.5	-174.1	178.2	-176.7	177.8	0	109.7	A416 S417	K360-A416 CarbonylContact O-C 3.54Å; K360-A416 WeakPolarHBondContact O-CA 3.13Å; K360-S417 PolarHBondContact N-O 2.97Å; K360-S417 PolarHBondContact O-N 3.28Å; K360-S417 PolarHBondContact O-OG 3.49Å
361	C	90.9	Very high	91.3	Very high	8 Å²	8	71.3 Å²	71.3	5%	0.054	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142	175.9	-69.7	0	0	0	0	110.7	V364 Y366	C361-V364 HydrophobicContact CB-CB 4.38Å; C361-V364 VanDerWaalsContact CB-O 3.27Å; C361-V364 WeakPolarHBondContact CB-O 3.42Å; C361-Y366 PolarHBondContact N-O 3.23Å
362	K	89	Confident	91.2	Very high	109 Å²	109	74.1 Å²	74.1	47%	0.474	35%	0.353	S	S	.	.	S	Bend	trans	-81.2	-41.1	-179.7	-67.8	-176.2	-179.7	177.8	0	112.4	E415	K362-E415 PolarHBondContact N-O 3Å
363	N	86.4	Confident	91.1	Very high	113 Å²	113	75 Å²	75	60%	0.604	36%	0.362	S	S	*	.	S	Bend	trans	-101.4	-6	-169.7	-59.2	-30.2	0	0	0	113.6
364	V	88.1	Confident	91.2	Very high	38 Å²	38	75.6 Å²	75.6	23%	0.23	37%	0.365	C	S	.	.	S	Bend	trans	-138.8	142.8	-178.2	-176.2	0	0	0	0	108.3	C361 Y366 H411 Q414	C361-V364 HydrophobicContact CB-CB 4.38Å; C361-V364 VanDerWaalsContact CB-O 3.27Å; C361-V364 WeakPolarHBondContact CB-O 3.42Å; V364-Y366 PolarHBondContact O-N 3.02Å; V364-H411 HydrophobicContact CG1-CB 4.35Å; V364-Q414 HydrophobicContact CG2-CG 4.22Å
365	D	87	Confident	91.2	Very high	164 Å²	164	72.2 Å²	72.2	88%	0.877	35%	0.35	S	S	*	.	S	Bend	trans	-77	70.9	175.2	-166	23.1	0	0	0	110.8
366	Y	88.3	Confident	91.2	Very high	74 Å²	74	71.9 Å²	71.9	29%	0.29	35%	0.348	S	S	.	.			trans	-129.8	123.5	176.4	-175.3	-88.7	0	0	0	109.4	C361 V364 Y406 A408	C361-Y366 PolarHBondContact N-O 3.23Å; V364-Y366 PolarHBondContact O-N 3.02Å; Y366-Y406 HydrophobicContact CD1-CE1 4.19Å; Y366-Y406 AromaticContact CE1-CE1 3.81Å; Y366-Y406 HydrophobicContact CE1-CE1 3.81Å; Y366-A408 HydrophobicContact CD1-CB 4.01Å; Y366-A408 HydrophobicContact CE1-CB 4.3Å; Y366-A408 HydrophobicContact CG-CB 4.31Å
367	N	88.6	Confident	91.3	Very high	121 Å²	121	71.4 Å²	71.4	65%	0.647	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	141	172.2	60.5	8.3	0	0	0	110.4	I359	I359-N367 CarbonylContact O-C 3.56Å; I359-N367 VanDerWaalsContact O-CA 3.31Å; I359-N367 WeakPolarHBondContact O-CA 3.33Å
368	S	88.3	Confident	91.4	Very high	38 Å²	38	74.6 Å²	74.6	27%	0.266	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.4	172.6	-178.8	0	0	0	0	107.8	Y358 I359	Y358-S368 CarbonylContact C-O 3.55Å; Y358-S368 WeakPolarHBondContact CA-O 3.34Å; I359-S368 PolarHBondContact N-O 3.47Å; I359-S368 PolarHBondContact O-N 3.45Å
369	T	91.1	Very high	91.6	Very high	73 Å²	73	71.7 Å²	71.7	45%	0.448	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.4	176.5	-56	0	0	0	0	108.4	S357 Y371	S357-T369 WeakPolarHBondContact O-CA 3.2Å; T369-Y371 HydrophobicContact CG2-CE2 4.28Å
370	R	92	Very high	91.6	Very high	163 Å²	163	73 Å²	73	62%	0.615	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.5	178.1	-174.1	-179.5	-180	-153.7	5.7	109.2	S356 S357 E372	S356-R370 CarbonylContact C-O 3.5Å; S356-R370 WeakPolarHBondContact CA-O 3.37Å; S357-R370 PolarHBondContact N-O 3.2Å; S357-R370 PolarHBondContact O-N 3.22Å; R370-E372 VanDerWaalsContact CD-OE1 3.26Å; R370-E372 WeakPolarHBondContact CD-OE1 3.47Å; R370-E372 HydrophobicContact CG-CG 4.17Å; R370-E372 IonicContact CZ-OE1 3.81Å; R370-E372 IonicContact NE-OE1 3.39Å; R370-E372 PolarHBondContact NE-OE1 3.09Å; R370-E372 IonicContact NH1-OE1 3.42Å; R370-E372 PolarHBondContact NH1-OE1 3.49Å
371	Y	92.4	Very high	91.6	Very high	171 Å²	171	67.1 Å²	67.1	67%	0.671	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.4	173.2	-65.1	-84.2	0	0	0	109.8	T369 T423	T369-Y371 HydrophobicContact CG2-CE2 4.28Å; Y371-T423 HydrophobicContact CD1-CG2 4.49Å; Y371-T423 HydrophobicContact CE1-CG2 4.2Å
372	E	92.8	Very high	91.4	Very high	58 Å²	58	70.8 Å²	70.8	27%	0.271	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.9	-179.5	-63.4	-179.3	177.8	0	0	109.2	M355 R370	M355-E372 HydrophobicContact CE-CB 4.16Å; M355-E372 HydrophobicContact CG-CB 4.36Å; M355-E372 PolarHBondContact N-O 3.28Å; M355-E372 PolarHBondContact O-N 3.25Å; M355-E372 VanDerWaalsContact O-O 3.05Å; R370-E372 VanDerWaalsContact CD-OE1 3.26Å; R370-E372 WeakPolarHBondContact CD-OE1 3.47Å; R370-E372 HydrophobicContact CG-CG 4.17Å; R370-E372 IonicContact CZ-OE1 3.81Å; R370-E372 IonicContact NE-OE1 3.39Å; R370-E372 PolarHBondContact NE-OE1 3.09Å; R370-E372 IonicContact NH1-OE1 3.42Å; R370-E372 PolarHBondContact NH1-OE1 3.49Å
373	T	94.7	Very high	91.3	Very high	77 Å²	77	72 Å²	72	47%	0.472	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	154.2	172.4	54	0	0	0	0	110	E352 G353 K354	E352-T373 HydrophobicContact CG-CG2 3.88Å; G353-T373 CarbonylContact O-C 3.59Å; G353-T373 VanDerWaalsContact O-CA 3.27Å; G353-T373 WeakPolarHBondContact O-CA 3.5Å; K354-T373 HydrophobicContact CG-CG2 4.19Å
374	F	94.8	Very high	91.6	Very high	13 Å²	13	68.9 Å²	68.9	6%	0.057	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.8	175.8	66.1	-93.1	0	0	0	110.9	E352 G353 M355 I377 F422 F425 L429	E352-F374 WeakPolarHBondContact CA-O 3.18Å; G353-F374 VanDerWaalsContact C-CE1 3.4Å; G353-F374 PolarHBondContact N-O 3.25Å; G353-F374 PolarHBondContact O-N 2.84Å; M355-F374 HydrophobicContact CB-CD1 4.21Å; M355-F374 HydrophobicContact CB-CE1 4.2Å; M355-F374 HydrophobicContact CG-CD1 3.99Å; M355-F374 HydrophobicContact CG-CE1 4.49Å; M355-F374 HydrophobicContact SD-CD1 4.08Å; F374-I377 HydrophobicContact CD2-CD1 4.35Å; F374-I377 HydrophobicContact CD2-CG1 3.71Å; F374-I377 HydrophobicContact CE2-CD1 3.67Å; F374-I377 HydrophobicContact CE2-CG1 3.54Å; F374-I377 HydrophobicContact CZ-CD1 4Å; F374-I377 HydrophobicContact CZ-CG1 4.25Å; F374-F422 AromaticContact CE1-CD1 3.7Å; F374-F422 HydrophobicContact CE1-CD1 3.7Å; F374-F422 AromaticContact CE1-CE1 3.92Å; F374-F422 HydrophobicContact CE1-CE1 3.92Å; F374-F422 AromaticContact CZ-CD1 3.86Å; F374-F422 HydrophobicContact CZ-CD1 3.86Å; F374-F422 AromaticContact CZ-CE1 3.97Å; F374-F422 HydrophobicContact CZ-CE1 3.97Å; F374-F425 HydrophobicContact CZ-CD1 4.05Å; F374-F425 HydrophobicContact CZ-CE1 4.38Å; F374-L429 HydrophobicContact CE2-CD1 4.31Å
375	Y	94.9	Very high	91.9	Very high	31 Å²	31	74 Å²	74	12%	0.122	36%	0.355	C	S	.	.	S	Bend	trans	-110.8	-18.4	174.9	-81.7	-89.1	0	0	0	112.5	L331 E335 I347 P348 F351	L331-Y375 HydrophobicContact CD1-CD1 4.4Å; E335-Y375 PolarHBondContact OE2-OH 3.23Å; I347-Y375 HydrophobicContact CG2-CE1 3.81Å; P348-Y375 WeakPolarHBondContact CG-OH 3.14Å; F351-Y375 HydrophobicContact CB-CD1 3.57Å; F351-Y375 HydrophobicContact CB-CE1 3.99Å
376	D	94.9	Very high	92.2	Very high	12 Å²	12	67.3 Å²	67.3	6%	0.064	32%	0.319	C	S	.	.	S	Bend	trans	-144.1	158.2	176.9	52.8	48.2	0	0	0	108.9	Q324 R328 H430	Q324-D376 PolarHBondContact NE2-OD2 3.21Å; R328-D376 IonicContact NH1-OD1 3.7Å; R328-D376 IonicContact NH1-OD2 3.7Å; D376-H430 WeakPolarHBondContact CA-O 3.32Å; D376-H430 HydrophobicContact CB-CB 4.15Å
377	I	95.6	Very high	92.6	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.1	172.8	-55.9	177.9	0	0	0	108.3	F374 L379 F391 Y394 F422 F425 L429 H430 L431 H432	F374-I377 HydrophobicContact CD2-CD1 4.35Å; F374-I377 HydrophobicContact CD2-CG1 3.71Å; F374-I377 HydrophobicContact CE2-CD1 3.67Å; F374-I377 HydrophobicContact CE2-CG1 3.54Å; F374-I377 HydrophobicContact CZ-CD1 4Å; F374-I377 HydrophobicContact CZ-CG1 4.25Å; I377-L379 HydrophobicContact CG2-CD2 3.86Å; I377-L379 HydrophobicContact CG2-CG 4.37Å; I377-F391 HydrophobicContact CD1-CE1 4.04Å; I377-F391 HydrophobicContact CD1-CZ 4.34Å; I377-Y394 HydrophobicContact CG2-CD2 4.29Å; I377-Y394 HydrophobicContact CG2-CE2 4.01Å; I377-F422 HydrophobicContact CD1-CE1 3.63Å; I377-F422 HydrophobicContact CD1-CZ 3.87Å; I377-F422 HydrophobicContact CG1-CE1 4.3Å; I377-F422 HydrophobicContact CG2-CZ 4.39Å; I377-F425 HydrophobicContact CD1-CD1 4.29Å; I377-F425 HydrophobicContact CD1-CE1 3.8Å; I377-L429 HydrophobicContact CD1-CD1 3.8Å; I377-L429 HydrophobicContact CG1-CD1 4.26Å; I377-H430 PolarHBondContact N-O 3.33Å; I377-L431 HydrophobicContact CB-CD2 3.82Å; I377-L431 HydrophobicContact CD1-CD2 4.14Å; I377-L431 HydrophobicContact CG1-CD2 4.31Å; I377-H432 PolarHBondContact O-N 2.93Å
378	Q	94.8	Very high	93	Very high	86 Å²	86	61.3 Å²	61.3	40%	0.402	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.4	177.7	-63.5	176	2.6	0	0	109.6	H432 M434	Q378-H432 HydrophobicContact CG-CB 4.44Å; Q378-M434 HydrophobicContact CB-CG 4.14Å; Q378-M434 HydrophobicContact CB-SD 4Å; Q378-M434 HydrophobicContact CG-SD 4.25Å
379	L	95.1	Very high	93.3	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.5	-178.8	-64.8	-178.5	0	0	0	110.4	I377 I381 I387 F391 L431 H432 L433 M434	I377-L379 HydrophobicContact CG2-CD2 3.86Å; I377-L379 HydrophobicContact CG2-CG 4.37Å; L379-I381 PolarHBondContact O-N 3.37Å; L379-I387 HydrophobicContact CD1-CG1 4.04Å; L379-F391 HydrophobicContact CD1-CD2 4.15Å; L379-F391 HydrophobicContact CD1-CE2 3.79Å; L379-F391 HydrophobicContact CD1-CZ 4.42Å; L379-F391 HydrophobicContact CD2-CD1 4.46Å; L379-F391 HydrophobicContact CD2-CD2 4.16Å; L379-F391 HydrophobicContact CD2-CE1 4.48Å; L379-F391 HydrophobicContact CD2-CE2 4.19Å; L379-F391 HydrophobicContact CD2-CG 4.3Å; L379-F391 HydrophobicContact CD2-CZ 4.36Å; L379-L431 HydrophobicContact CD1-CB 4.27Å; L379-L431 HydrophobicContact CD1-CD1 4.15Å; L379-L431 HydrophobicContact CD1-CD2 4.41Å; L379-H432 PolarHBondContact N-O 2.85Å; L379-L433 HydrophobicContact CB-CD2 4.23Å; L379-L433 HydrophobicContact CD1-CD2 4.28Å; L379-M434 WeakPolarHBondContact O-CB 3.4Å; L379-M434 WeakPolarHBondContact O-CG 3.42Å; L379-M434 PolarHBondContact O-N 2.84Å
380	N	92.5	Very high	93.5	Very high	57 Å²	57	59.5 Å²	59.5	31%	0.305	27%	0.27	S	S	.	.			trans	-69.2	129.7	171.1	-174.5	18.5	0	0	0	109.8	K382 K384 S390 D393 Q437	N380-K382 PolarHBondContact OD1-N 3.18Å; N380-K384 WeakPolarHBondContact O-CG 3.4Å; N380-S390 WeakPolarHBondContact O-CB 3.22Å; N380-S390 PolarHBondContact O-OG 3.02Å; N380-D393 PolarHBondContact ND2-OD2 3.46Å; N380-Q437 PolarHBondContact OD1-NE2 2.89Å
381	I	90.6	Very high	93.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	24%	0.241	C	C	.	.			trans	-107.6	-17.1	-179	67	172.9	0	0	0	113	L379 D383 K384 L433 R435 F452	L379-I381 PolarHBondContact O-N 3.37Å; I381-D383 PolarHBondContact O-N 3.46Å; I381-K384 PolarHBondContact O-N 3.3Å; I381-K384 VanDerWaalsContact O-N 3.09Å; I381-L433 HydrophobicContact CG2-CB 4.04Å; I381-L433 HydrophobicContact CG2-CD2 4.45Å; I381-R435 HydrophobicContact CD1-CB 4.03Å; I381-R435 HydrophobicContact CD1-CG 3.24Å; I381-F452 HydrophobicContact CB-CD2 4.13Å; I381-F452 HydrophobicContact CB-CE2 4.48Å; I381-F452 HydrophobicContact CG2-CD1 4.48Å; I381-F452 HydrophobicContact CG2-CD2 4.05Å; I381-F452 HydrophobicContact CG2-CE2 4.13Å; I381-F452 HydrophobicContact CG2-CG 4.21Å; I381-F452 HydrophobicContact CG2-CZ 4.33Å
382	K	87.2	Confident	93.8	Very high	85 Å²	85	48.5 Å²	48.5	37%	0.37	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	127.7	-174.5	-174.5	179.4	179.7	169.7	0	108.8	N380 K384 Y448	N380-K382 PolarHBondContact OD1-N 3.18Å; K382-K384 WeakPolarHBondContact O-CG 3.5Å; K382-K384 PolarHBondContact O-N 2.7Å; K382-Y448 HydrophobicContact CD-CE1 4.24Å; K382-Y448 HydrophobicContact CG-CE1 4.47Å; K382-Y448 PolarHBondContact NZ-OH 3.06Å
383	D	87.4	Confident	93.8	Very high	136 Å²	136	48.7 Å²	48.7	73%	0.727	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	20.1	-176.5	-52.5	-51.2	0	0	0	114.4	I381	I381-D383 PolarHBondContact O-N 3.46Å
384	K	93.5	Very high	93.7	Very high	46 Å²	46	48.3 Å²	48.3	20%	0.2	23%	0.225	C	C	.	.			trans	-114.3	136	176.8	-49.2	-54.9	176.2	177.4	0	110.7	N380 I381 K382 E389 D393 F452	N380-K384 WeakPolarHBondContact O-CG 3.4Å; I381-K384 PolarHBondContact O-N 3.3Å; I381-K384 VanDerWaalsContact O-N 3.09Å; K382-K384 WeakPolarHBondContact O-CG 3.5Å; K382-K384 PolarHBondContact O-N 2.7Å; K384-E389 HydrophobicContact CB-CB 4.37Å; K384-E389 HydrophobicContact CD-CB 4.47Å; K384-D393 WeakPolarHBondContact CE-OD1 3.44Å; K384-D393 WeakPolarHBondContact CE-OD2 3.06Å; K384-D393 IonicContact NZ-OD1 3.1Å; K384-D393 PolarHBondContact NZ-OD1 2.85Å; K384-D393 IonicContact NZ-OD2 3.93Å; K384-F452 HydrophobicContact CB-CE2 4.33Å
385	K	92.8	Very high	93.7	Very high	147 Å²	147	48.9 Å²	48.9	64%	0.639	23%	0.23	S	C	*	.			trans	-86.3	-32.2	-177.8	-64.4	177.6	-179.2	175.5	0	113.3	E389 E453	K385-E389 WeakPolarHBondContact CB-OE2 3.4Å; K385-E389 PolarHBondContact N-OE2 3.39Å; K385-E453 PolarHBondContact O-N 2.88Å
386	N	94.9	Very high	93.6	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.123	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-152.7	168.8	-172.1	62.8	66.9	0	0	0	112.6	Y388 E389 S390 F452 E453 Y455	N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 PolarHBondContact O-N 3.49Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.43Å; N386-Y388 PolarHBondContact OD1-N 3.15Å; N386-E389 PolarHBondContact O-N 3.07Å; N386-E389 PolarHBondContact OD1-N 3.07Å; N386-E389 VanDerWaalsContact OD1-N 3.09Å; N386-S390 PolarHBondContact O-N 3.36Å; N386-F452 VanDerWaalsContact C-CE2 3.45Å; N386-F452 WeakPolarHBondContact O-CE2 3.44Å; N386-E453 CarbonylContact C-O 3.52Å; N386-E453 WeakPolarHBondContact CA-O 3.38Å; N386-E453 HydrophobicContact CB-CB 3.97Å; N386-Y455 HydrophobicContact CB-CE2 4.33Å
387	I	95.9	Very high	93.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-53.3	-38.6	179.7	-167	163.9	0	0	0	114.2	L379 S390 F391 L431 F452 E453 Y455 I458 Y545	L379-I387 HydrophobicContact CD1-CG1 4.04Å; I387-S390 PolarHBondContact O-N 3.38Å; I387-F391 HydrophobicContact CD1-CE2 4.15Å; I387-F391 HydrophobicContact CG1-CD2 3.81Å; I387-F391 HydrophobicContact CG1-CE2 3.77Å; I387-F391 WeakPolarHBondContact O-CD2 3.42Å; I387-F391 PolarHBondContact O-N 3.48Å; I387-L431 HydrophobicContact CD1-CD1 3.59Å; I387-F452 HydrophobicContact CB-CZ 4.28Å; I387-E453 PolarHBondContact N-O 3.43Å; I387-Y455 HydrophobicContact CG2-CD2 3.8Å; I387-Y455 HydrophobicContact CG2-CE2 3.97Å; I387-I458 HydrophobicContact CD1-CD1 4.1Å; I387-I458 HydrophobicContact CG2-CG2 4.35Å; I387-Y545 HydrophobicContact CD1-CE2 4.18Å
388	Y	96.2	Very high	93.1	Very high	67 Å²	67	58.2 Å²	58.2	26%	0.263	29%	0.287	S	S	.	.	H	α-helix	trans	-70.3	-36.5	-178.4	-63.2	-72.3	0	0	0	112.6	N386 S390 F391 Q392 Y455 Y463	N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 PolarHBondContact O-N 3.49Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.43Å; N386-Y388 PolarHBondContact OD1-N 3.15Å; Y388-S390 VanDerWaalsContact C-N 3.32Å; Y388-F391 PolarHBondContact O-N 3.03Å; Y388-Q392 VanDerWaalsContact O-CB 3.3Å; Y388-Q392 WeakPolarHBondContact O-CB 3.27Å; Y388-Q392 PolarHBondContact O-N 3.5Å; Y388-Y455 HydrophobicContact CD2-CD2 4.22Å; Y388-Y455 AromaticContact CD2-CE2 3.72Å; Y388-Y455 HydrophobicContact CD2-CE2 3.72Å; Y388-Y455 AromaticContact CE2-CD2 3.59Å; Y388-Y455 HydrophobicContact CE2-CD2 3.59Å; Y388-Y455 AromaticContact CE2-CE2 3.48Å; Y388-Y455 HydrophobicContact CE2-CE2 3.48Å; Y388-Y455 VanDerWaalsContact CE2-CE2 3.48Å; Y388-Y463 PolarHBondContact O-OH 3.35Å
389	E	95.7	Very high	92.9	Very high	73 Å²	73	57.3 Å²	57.3	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-39	174	-71.2	180	-173.7	0	0	111.2	K384 K385 N386 Q392 D393	K384-E389 HydrophobicContact CB-CB 4.37Å; K384-E389 HydrophobicContact CD-CB 4.47Å; K385-E389 WeakPolarHBondContact CB-OE2 3.4Å; K385-E389 PolarHBondContact N-OE2 3.39Å; N386-E389 PolarHBondContact O-N 3.07Å; N386-E389 PolarHBondContact OD1-N 3.07Å; N386-E389 VanDerWaalsContact OD1-N 3.09Å; E389-Q392 PolarHBondContact O-N 3.16Å; E389-D393 WeakPolarHBondContact O-CB 3.33Å; E389-D393 PolarHBondContact O-N 3.08Å
390	S	95.5	Very high	92.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-68.5	-40.7	175.4	-62.3	0	0	0	0	113.2	N380 N386 I387 Y388 Q392 D393 Y394 F452	N380-S390 WeakPolarHBondContact O-CB 3.22Å; N380-S390 PolarHBondContact O-OG 3.02Å; N386-S390 PolarHBondContact O-N 3.36Å; I387-S390 PolarHBondContact O-N 3.38Å; Y388-S390 VanDerWaalsContact C-N 3.32Å; S390-Q392 VanDerWaalsContact C-N 3.3Å; S390-Q392 PolarHBondContact O-N 2.94Å; S390-D393 WeakPolarHBondContact O-CB 3.31Å; S390-D393 PolarHBondContact O-N 3.04Å; S390-Y394 WeakPolarHBondContact O-CB 3.4Å; S390-Y394 PolarHBondContact O-N 3.36Å; S390-F452 WeakPolarHBondContact OG-CE2 3.39Å
391	F	95.1	Very high	92.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-37.7	172.9	-90.9	-81.4	0	0	0	111.8	I377 L379 I387 Y388 D393 Y394 V395 F422 F425 L431 L460 Y463	I377-F391 HydrophobicContact CD1-CE1 4.04Å; I377-F391 HydrophobicContact CD1-CZ 4.34Å; L379-F391 HydrophobicContact CD1-CD2 4.15Å; L379-F391 HydrophobicContact CD1-CE2 3.79Å; L379-F391 HydrophobicContact CD1-CZ 4.42Å; L379-F391 HydrophobicContact CD2-CD1 4.46Å; L379-F391 HydrophobicContact CD2-CD2 4.16Å; L379-F391 HydrophobicContact CD2-CE1 4.48Å; L379-F391 HydrophobicContact CD2-CE2 4.19Å; L379-F391 HydrophobicContact CD2-CG 4.3Å; L379-F391 HydrophobicContact CD2-CZ 4.36Å; I387-F391 HydrophobicContact CD1-CE2 4.15Å; I387-F391 HydrophobicContact CG1-CD2 3.81Å; I387-F391 HydrophobicContact CG1-CE2 3.77Å; I387-F391 WeakPolarHBondContact O-CD2 3.42Å; I387-F391 PolarHBondContact O-N 3.48Å; Y388-F391 PolarHBondContact O-N 3.03Å; F391-D393 VanDerWaalsContact C-N 3.34Å; F391-Y394 WeakPolarHBondContact O-CB 3.49Å; F391-Y394 PolarHBondContact O-N 2.81Å; F391-V395 PolarHBondContact O-N 2.9Å; F391-V395 VanDerWaalsContact O-N 3.16Å; F391-F422 HydrophobicContact CD1-CE2 4.24Å; F391-F422 HydrophobicContact CE1-CE2 4.39Å; F391-F422 HydrophobicContact CE1-CZ 4.42Å; F391-F425 HydrophobicContact CE1-CE1 4.33Å; F391-F425 HydrophobicContact CE1-CZ 4.42Å; F391-L431 HydrophobicContact CE2-CD1 4.01Å; F391-L431 HydrophobicContact CE2-CD2 4.35Å; F391-L431 HydrophobicContact CZ-CD1 4.19Å; F391-L431 HydrophobicContact CZ-CD2 3.79Å; F391-L460 HydrophobicContact CD1-CD2 4.38Å; F391-L460 HydrophobicContact CD2-CD2 4.04Å; F391-L460 HydrophobicContact CE1-CD1 4.33Å; F391-L460 HydrophobicContact CE1-CD2 4.22Å; F391-L460 HydrophobicContact CE2-CD2 3.87Å; F391-L460 HydrophobicContact CG-CD2 4.3Å; F391-L460 HydrophobicContact CZ-CD1 3.95Å; F391-L460 HydrophobicContact CZ-CD2 3.95Å; F391-Y463 HydrophobicContact CB-CD1 4.28Å; F391-Y463 HydrophobicContact CB-CD2 4.15Å; F391-Y463 HydrophobicContact CB-CE1 3.79Å; F391-Y463 HydrophobicContact CB-CE2 3.65Å; F391-Y463 HydrophobicContact CB-CG 4.44Å; F391-Y463 VanDerWaalsContact CB-CZ 3.44Å; F391-Y463 HydrophobicContact CD1-CD2 4.3Å; F391-Y463 HydrophobicContact CG-CD2 4.36Å; F391-Y463 HydrophobicContact CG-CE2 4.14Å
392	Q	94.1	Very high	92.4	Very high	103 Å²	103	63.8 Å²	63.8	48%	0.481	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-38.4	176	-173.6	59.6	57.9	0	0	112.2	Y388 E389 S390 A396 Y463	Y388-Q392 VanDerWaalsContact O-CB 3.3Å; Y388-Q392 WeakPolarHBondContact O-CB 3.27Å; Y388-Q392 PolarHBondContact O-N 3.5Å; E389-Q392 PolarHBondContact O-N 3.16Å; S390-Q392 VanDerWaalsContact C-N 3.3Å; S390-Q392 PolarHBondContact O-N 2.94Å; Q392-A396 WeakPolarHBondContact O-CB 3.49Å; Q392-A396 PolarHBondContact O-N 3.37Å; Q392-A396 VanDerWaalsContact O-N 3.15Å; Q392-Y463 HydrophobicContact CB-CE1 4.45Å
393	D	93.9	Very high	92.5	Very high	62 Å²	62	66 Å²	66	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-43.1	172.3	-166.8	66.8	0	0	0	111.2	N380 K384 E389 S390 F391 V395 A396	N380-D393 PolarHBondContact ND2-OD2 3.46Å; K384-D393 WeakPolarHBondContact CE-OD1 3.44Å; K384-D393 WeakPolarHBondContact CE-OD2 3.06Å; K384-D393 IonicContact NZ-OD1 3.1Å; K384-D393 PolarHBondContact NZ-OD1 2.85Å; K384-D393 IonicContact NZ-OD2 3.93Å; E389-D393 WeakPolarHBondContact O-CB 3.33Å; E389-D393 PolarHBondContact O-N 3.08Å; S390-D393 WeakPolarHBondContact O-CB 3.31Å; S390-D393 PolarHBondContact O-N 3.04Å; F391-D393 VanDerWaalsContact C-N 3.34Å; D393-V395 VanDerWaalsContact C-N 3.34Å; D393-V395 PolarHBondContact O-N 2.83Å; D393-A396 WeakPolarHBondContact O-CB 3.42Å; D393-A396 PolarHBondContact O-N 3.08Å; D393-A396 VanDerWaalsContact O-N 3.14Å
394	Y	93.3	Very high	92.5	Very high	68 Å²	68	65.2 Å²	65.2	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-38.5	-179.4	-165.8	-83.8	0	0	0	113.2	I377 S390 F391 V420 F422	I377-Y394 HydrophobicContact CG2-CD2 4.29Å; I377-Y394 HydrophobicContact CG2-CE2 4.01Å; S390-Y394 WeakPolarHBondContact O-CB 3.4Å; S390-Y394 PolarHBondContact O-N 3.36Å; F391-Y394 WeakPolarHBondContact O-CB 3.49Å; F391-Y394 PolarHBondContact O-N 2.81Å; Y394-V420 HydrophobicContact CE1-CB 4.37Å; Y394-V420 HydrophobicContact CE1-CG1 3.91Å; Y394-F422 AromaticContact CD1-CE2 3.76Å; Y394-F422 HydrophobicContact CD1-CE2 3.76Å; Y394-F422 AromaticContact CD1-CZ 3.49Å; Y394-F422 HydrophobicContact CD1-CZ 3.49Å; Y394-F422 VanDerWaalsContact CD1-CZ 3.49Å; Y394-F422 HydrophobicContact CE1-CE1 4.07Å; Y394-F422 HydrophobicContact CE1-CE2 4.07Å; Y394-F422 AromaticContact CE1-CZ 3.39Å; Y394-F422 HydrophobicContact CE1-CZ 3.39Å; Y394-F422 HydrophobicContact CG-CZ 4.45Å
395	V	93	Very high	92.3	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.158	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.7	177.6	-56.6	0	0	0	0	113.3	F391 D393 F422 Y463	F391-V395 PolarHBondContact O-N 2.9Å; F391-V395 VanDerWaalsContact O-N 3.16Å; D393-V395 VanDerWaalsContact C-N 3.34Å; D393-V395 PolarHBondContact O-N 2.83Å; V395-F422 HydrophobicContact CG1-CD2 3.99Å; V395-F422 HydrophobicContact CG1-CE2 3.81Å; V395-Y463 HydrophobicContact CG1-CD1 4.2Å; V395-Y463 HydrophobicContact CG2-CD1 3.95Å; V395-Y463 HydrophobicContact CG2-CE1 4.35Å
396	A	92.8	Very high	92.2	Very high	38 Å²	38	62.1 Å²	62.1	31%	0.314	33%	0.327	S	S	.	.	S	Bend	trans	-67	135.7	-179	0	0	0	0	0	110.6	Q392 D393 E398	Q392-A396 WeakPolarHBondContact O-CB 3.49Å; Q392-A396 PolarHBondContact O-N 3.37Å; Q392-A396 VanDerWaalsContact O-N 3.15Å; D393-A396 WeakPolarHBondContact O-CB 3.42Å; D393-A396 PolarHBondContact O-N 3.08Å; D393-A396 VanDerWaalsContact O-N 3.14Å; A396-E398 PolarHBondContact O-N 2.97Å
397	P	90.9	Very high	92	Very high	81 Å²	81	65.8 Å²	65.8	53%	0.526	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-71.7	124.2	178.6	27.4	-32.6	0	0	0	111.1	K418	P397-K418 CarbonylContact C-O 3.57Å; P397-K418 VanDerWaalsContact CA-O 3.29Å; P397-K418 WeakPolarHBondContact CA-O 3.43Å
398	E	90.3	Very high	91.6	Very high	121 Å²	121	65.8 Å²	65.8	57%	0.565	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.7	170.9	-63.3	-179.7	159.6	0	0	110.3	A396 S417 K418	A396-E398 PolarHBondContact O-N 2.97Å; E398-S417 CarbonylContact O-C 3.55Å; E398-S417 WeakPolarHBondContact O-CA 3.37Å; E398-K418 PolarHBondContact N-O 2.8Å; E398-K418 PolarHBondContact O-N 3.5Å
399	T	90.5	Very high	91.3	Very high	67 Å²	67	65.2 Å²	65.2	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.4	174.4	-64.7	0	0	0	0	110.2	E401	T399-E401 HydrophobicContact CG2-CB 4.09Å; T399-E401 HydrophobicContact CG2-CG 4.05Å; T399-E401 PolarHBondContact O-N 2.86Å
400	L	90.2	Very high	90.8	Very high	31 Å²	31	68.5 Å²	68.5	16%	0.162	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	96.7	174.3	-62.8	-177.3	0	0	0	109	N404 E415 A416 K418	L400-N404 WeakPolarHBondContact CB-O 3.41Å; L400-E415 VanDerWaalsContact O-CA 3.31Å; L400-E415 WeakPolarHBondContact O-CA 3.27Å; L400-A416 HydrophobicContact CB-CB 4.39Å; L400-A416 WeakPolarHBondContact CB-O 3.36Å; L400-A416 HydrophobicContact CD1-CB 4.38Å; L400-A416 PolarHBondContact N-O 2.71Å; L400-A416 PolarHBondContact O-N 3.33Å; L400-K418 HydrophobicContact CD1-CB 4.05Å; L400-K418 HydrophobicContact CG-CB 4.26Å
401	E	88.9	Confident	90.3	Very high	113 Å²	113	72.7 Å²	72.7	53%	0.528	41%	0.406	S	S	.	.			trans	-133.8	169.2	-177.5	62.6	-174.5	-169.4	0	0	112.8	T399 D403 N404 E415	T399-E401 HydrophobicContact CG2-CB 4.09Å; T399-E401 HydrophobicContact CG2-CG 4.05Å; T399-E401 PolarHBondContact O-N 2.86Å; E401-D403 PolarHBondContact O-N 2.79Å; E401-N404 PolarHBondContact O-N 3.48Å; E401-E415 HydrophobicContact CB-CG 4.47Å
402	G	89.1	Confident	90.1	Very high	50 Å²	50	74 Å²	74	52%	0.515	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	61.2	-125.6	179.8	0	0	0	0	0	113.5	N404 K405	G402-N404 PolarHBondContact O-N 2.84Å; G402-K405 WeakPolarHBondContact O-CG 3.48Å
403	D	87.6	Confident	90	Very high	131 Å²	131	74.6 Å²	74.6	70%	0.701	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17.1	177.3	-64.5	-20.7	0	0	0	112.5	E401 K1024	E401-D403 PolarHBondContact O-N 2.79Å; D403-K1024 IonicContact OD2-NZ 3.64Å; D403-K1024 PolarHBondContact OD2-NZ 2.95Å; D403-K1024 VanDerWaalsContact OD2-NZ 3.1Å
404	N	88.8	Confident	89.8	Confident	121 Å²	121	73.5 Å²	73.5	65%	0.647	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-99.6	24.2	-174.9	-63.9	-30.7	0	0	0	113.1	L400 E401 G402	L400-N404 WeakPolarHBondContact CB-O 3.41Å; E401-N404 PolarHBondContact O-N 3.48Å; G402-N404 PolarHBondContact O-N 2.84Å
405	K	89.9	Confident	89.8	Confident	75 Å²	75	73 Å²	73	33%	0.326	42%	0.418	S	S	.	.			trans	-60.8	143.5	178.2	-76.3	176.3	-171.9	-150.4	0	111.7	G402 L413 Q414 E415	G402-K405 WeakPolarHBondContact O-CG 3.48Å; K405-L413 HydrophobicContact CB-CB 3.97Å; K405-L413 HydrophobicContact CB-CD2 4.46Å; K405-Q414 CarbonylContact C-O 3.58Å; K405-Q414 WeakPolarHBondContact CB-O 3.41Å; K405-E415 HydrophobicContact CD-CG 4.16Å; K405-E415 VanDerWaalsContact CE-OE1 3.26Å; K405-E415 WeakPolarHBondContact CE-OE1 3.22Å; K405-E415 HydrophobicContact CG-CG 4.04Å; K405-E415 IonicContact NZ-OE1 3.76Å; K405-E415 PolarHBondContact NZ-OE1 3.43Å
406	Y	89.3	Confident	89.8	Confident	52 Å²	52	71.7 Å²	71.7	20%	0.204	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.1	179.7	176.4	-110.7	0	0	0	111.2	I359 Y366 A408 L413 Q414 A416	I359-Y406 HydrophobicContact CD1-CD2 3.74Å; I359-Y406 HydrophobicContact CD1-CE2 3.39Å; I359-Y406 HydrophobicContact CG2-CD1 3.76Å; I359-Y406 HydrophobicContact CG2-CD2 4.06Å; I359-Y406 HydrophobicContact CG2-CE1 3.94Å; I359-Y406 HydrophobicContact CG2-CE2 4.25Å; I359-Y406 HydrophobicContact CG2-CG 3.81Å; Y366-Y406 HydrophobicContact CD1-CE1 4.19Å; Y366-Y406 AromaticContact CE1-CE1 3.81Å; Y366-Y406 HydrophobicContact CE1-CE1 3.81Å; Y406-A408 HydrophobicContact CD1-CB 4.01Å; Y406-A408 HydrophobicContact CE1-CB 4.02Å; Y406-A408 PolarHBondContact O-N 2.71Å; Y406-A408 VanDerWaalsContact O-N 3.17Å; Y406-L413 CarbonylContact O-C 3.6Å; Y406-L413 WeakPolarHBondContact O-CA 3.32Å; Y406-Q414 PolarHBondContact N-O 3.41Å; Y406-Q414 PolarHBondContact O-N 3.35Å; Y406-A416 HydrophobicContact CG-CB 4.46Å
407	D	91	Very high	89.7	Confident	100 Å²	100	71.2 Å²	71.2	54%	0.535	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	99.5	171.6	-173.3	4.6	0	0	0	110.4	G409 L413	D407-G409 PolarHBondContact O-N 3.05Å; D407-G409 PolarHBondContact OD1-N 3.49Å; D407-L413 HydrophobicContact CB-CD2 4.06Å
408	A	88.4	Confident	89.8	Confident	1 Å²	1	71 Å²	71	1%	0.008	40%	0.396	C	S	.	.			trans	-82.1	20.7	177.2	0	0	0	0	0	112.7	Y366 Y406 V410 H411 G412 Q414	Y366-A408 HydrophobicContact CD1-CB 4.01Å; Y366-A408 HydrophobicContact CE1-CB 4.3Å; Y366-A408 HydrophobicContact CG-CB 4.31Å; Y406-A408 HydrophobicContact CD1-CB 4.01Å; Y406-A408 HydrophobicContact CE1-CB 4.02Å; Y406-A408 PolarHBondContact O-N 2.71Å; Y406-A408 VanDerWaalsContact O-N 3.17Å; A408-V410 PolarHBondContact O-N 3.28Å; A408-H411 HydrophobicContact CB-CB 3.99Å; A408-H411 PolarHBondContact O-N 2.92Å; A408-G412 PolarHBondContact N-O 2.74Å; A408-Q414 HydrophobicContact CB-CB 4.49Å; A408-Q414 HydrophobicContact CB-CG 4.18Å
409	G	89.2	Confident	89.8	Confident	55 Å²	55	65.4 Å²	65.4	57%	0.567	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	65.5	-96.4	176.6	0	0	0	0	0	111.8	D407 H411 G412	D407-G409 PolarHBondContact O-N 3.05Å; D407-G409 PolarHBondContact OD1-N 3.49Å; G409-H411 PolarHBondContact O-N 3.47Å; G409-G412 PolarHBondContact O-N 3.21Å; G409-G412 VanDerWaalsContact O-N 3.14Å
410	V	85.8	Confident	89.9	Confident	143 Å²	143	63.3 Å²	63.3	87%	0.867	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.8	-178.4	-144.5	0	0	0	0	112.3	A408	A408-V410 PolarHBondContact O-N 3.28Å
411	H	84.9	Confident	90	Very high	88 Å²	88	64.7 Å²	64.7	41%	0.407	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-97.8	2.9	179.6	-59	-70.7	0	0	0	113.6	V364 A408 G409 Q414	V364-H411 HydrophobicContact CG1-CB 4.35Å; A408-H411 HydrophobicContact CB-CB 3.99Å; A408-H411 PolarHBondContact O-N 2.92Å; G409-H411 PolarHBondContact O-N 3.47Å; H411-Q414 HydrophobicContact CB-CG 4.17Å; H411-Q414 PolarHBondContact O-NE2 3.02Å
412	G	90.1	Very high	90.2	Very high	28 Å²	28	59.3 Å²	59.3	29%	0.289	34%	0.339	S	S	.	.			trans	59.8	-155.3	-177.7	0	0	0	0	0	113.6	A408 G409 Q414	A408-G412 PolarHBondContact N-O 2.74Å; G409-G412 PolarHBondContact O-N 3.21Å; G409-G412 VanDerWaalsContact O-N 3.14Å; G412-Q414 PolarHBondContact O-N 2.74Å
413	L	91.9	Very high	90.3	Very high	116 Å²	116	59 Å²	59	61%	0.607	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.6	-179.3	-66.5	174.1	0	0	0	111.6	K405 Y406 D407	K405-L413 HydrophobicContact CB-CB 3.97Å; K405-L413 HydrophobicContact CB-CD2 4.46Å; Y406-L413 CarbonylContact O-C 3.6Å; Y406-L413 WeakPolarHBondContact O-CA 3.32Å; D407-L413 HydrophobicContact CB-CD2 4.06Å
414	Q	90.4	Very high	90.6	Very high	39 Å²	39	54 Å²	54	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.7	-178.1	-67.3	-58.9	-34.8	0	0	111.7	V364 K405 Y406 A408 H411 G412	V364-Q414 HydrophobicContact CG2-CG 4.22Å; K405-Q414 CarbonylContact C-O 3.58Å; K405-Q414 WeakPolarHBondContact CB-O 3.41Å; Y406-Q414 PolarHBondContact N-O 3.41Å; Y406-Q414 PolarHBondContact O-N 3.35Å; A408-Q414 HydrophobicContact CB-CB 4.49Å; A408-Q414 HydrophobicContact CB-CG 4.18Å; H411-Q414 HydrophobicContact CB-CG 4.17Å; H411-Q414 PolarHBondContact O-NE2 3.02Å; G412-Q414 PolarHBondContact O-N 2.74Å
415	E	92.3	Very high	90.9	Very high	56 Å²	56	48.6 Å²	48.6	26%	0.262	27%	0.274	S	S	.	.			trans	-74.2	127.9	167.4	-71.7	168.4	-159.3	0	0	109	K362 L400 E401 K405	K362-E415 PolarHBondContact N-O 3Å; L400-E415 VanDerWaalsContact O-CA 3.31Å; L400-E415 WeakPolarHBondContact O-CA 3.27Å; E401-E415 HydrophobicContact CB-CG 4.47Å; K405-E415 HydrophobicContact CD-CG 4.16Å; K405-E415 VanDerWaalsContact CE-OE1 3.26Å; K405-E415 WeakPolarHBondContact CE-OE1 3.22Å; K405-E415 HydrophobicContact CG-CG 4.04Å; K405-E415 IonicContact NZ-OE1 3.76Å; K405-E415 PolarHBondContact NZ-OE1 3.43Å
416	A	92.7	Very high	91.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	162.2	-174.3	0	0	0	0	0	111.4	I359 K360 L400 Y406	I359-A416 HydrophobicContact CG2-CB 3.72Å; K360-A416 CarbonylContact O-C 3.54Å; K360-A416 WeakPolarHBondContact O-CA 3.13Å; L400-A416 HydrophobicContact CB-CB 4.39Å; L400-A416 WeakPolarHBondContact CB-O 3.36Å; L400-A416 HydrophobicContact CD1-CB 4.38Å; L400-A416 PolarHBondContact N-O 2.71Å; L400-A416 PolarHBondContact O-N 3.33Å; Y406-A416 HydrophobicContact CG-CB 4.46Å
417	S	91.6	Very high	91.5	Very high	27 Å²	27	43.7 Å²	43.7	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	166.7	53.7	0	0	0	0	108.1	I359 K360 E398	I359-S417 CarbonylContact C-O 3.6Å; I359-S417 WeakPolarHBondContact CA-O 3.21Å; K360-S417 PolarHBondContact N-O 2.97Å; K360-S417 PolarHBondContact O-N 3.28Å; K360-S417 PolarHBondContact O-OG 3.49Å; E398-S417 CarbonylContact O-C 3.55Å; E398-S417 WeakPolarHBondContact O-CA 3.37Å
418	K	92.5	Very high	91.8	Very high	78 Å²	78	38.9 Å²	38.9	34%	0.339	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.8	175.5	179.2	-173.6	173.9	-157.3	0	108.1	Y358 I359 P397 E398 L400	Y358-K418 CarbonylContact O-C 3.59Å; Y358-K418 VanDerWaalsContact O-CA 3.3Å; Y358-K418 WeakPolarHBondContact O-CA 3.26Å; I359-K418 HydrophobicContact CG1-CB 4.29Å; I359-K418 HydrophobicContact CG1-CG 4.08Å; P397-K418 CarbonylContact C-O 3.57Å; P397-K418 VanDerWaalsContact CA-O 3.29Å; P397-K418 WeakPolarHBondContact CA-O 3.43Å; E398-K418 PolarHBondContact N-O 2.8Å; E398-K418 PolarHBondContact O-N 3.5Å; L400-K418 HydrophobicContact CD1-CB 4.05Å; L400-K418 HydrophobicContact CG-CB 4.26Å
419	G	90.8	Very high	92.2	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	167.3	174.4	0	0	0	0	0	111.6	S357 Y358	S357-G419 CarbonylContact C-O 3.52Å; S357-G419 WeakPolarHBondContact CA-O 3.44Å; Y358-G419 WeakPolarHBondContact CD1-O 3.48Å; Y358-G419 VanDerWaalsContact CE1-C 3.48Å; Y358-G419 VanDerWaalsContact CE1-CA 3.5Å; Y358-G419 PolarHBondContact N-O 2.79Å; Y358-G419 PolarHBondContact O-N 3.12Å
420	V	92.8	Very high	92.6	Very high	23 Å²	23	36.4 Å²	36.4	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	178.6	-175.5	0	0	0	0	108.7	M355 Y394	M355-V420 HydrophobicContact CB-CG1 4.2Å; M355-V420 HydrophobicContact CG-CG1 4.4Å; M355-V420 HydrophobicContact SD-CG1 3.91Å; Y394-V420 HydrophobicContact CE1-CB 4.37Å; Y394-V420 HydrophobicContact CE1-CG1 3.91Å
421	I	91.2	Very high	93.2	Very high	60 Å²	60	29.6 Å²	29.6	31%	0.308	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.9	176.5	-52.6	175.5	0	0	0	108	M355 S356 Y358 A465	M355-I421 CarbonylContact C-O 3.55Å; M355-I421 WeakPolarHBondContact CA-O 3.31Å; S356-I421 PolarHBondContact N-O 3.49Å; S356-I421 PolarHBondContact O-N 2.75Å; S356-I421 PolarHBondContact OG-O 3.38Å; Y358-I421 HydrophobicContact CD1-CD1 3.8Å; Y358-I421 HydrophobicContact CD1-CG1 3.91Å; Y358-I421 HydrophobicContact CE1-CD1 3.7Å; Y358-I421 HydrophobicContact CE1-CG1 3.71Å; I421-A465 HydrophobicContact CG2-CB 3.58Å
422	F	93.9	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.3	175.2	-65.1	-79.2	0	0	0	109.9	M355 F374 I377 F391 Y394 V395 F425 L464 A465	M355-F422 HydrophobicContact CB-CD1 4.16Å; F374-F422 AromaticContact CE1-CD1 3.7Å; F374-F422 HydrophobicContact CE1-CD1 3.7Å; F374-F422 AromaticContact CE1-CE1 3.92Å; F374-F422 HydrophobicContact CE1-CE1 3.92Å; F374-F422 AromaticContact CZ-CD1 3.86Å; F374-F422 HydrophobicContact CZ-CD1 3.86Å; F374-F422 AromaticContact CZ-CE1 3.97Å; F374-F422 HydrophobicContact CZ-CE1 3.97Å; I377-F422 HydrophobicContact CD1-CE1 3.63Å; I377-F422 HydrophobicContact CD1-CZ 3.87Å; I377-F422 HydrophobicContact CG1-CE1 4.3Å; I377-F422 HydrophobicContact CG2-CZ 4.39Å; F391-F422 HydrophobicContact CD1-CE2 4.24Å; F391-F422 HydrophobicContact CE1-CE2 4.39Å; F391-F422 HydrophobicContact CE1-CZ 4.42Å; Y394-F422 AromaticContact CD1-CE2 3.76Å; Y394-F422 HydrophobicContact CD1-CE2 3.76Å; Y394-F422 AromaticContact CD1-CZ 3.49Å; Y394-F422 HydrophobicContact CD1-CZ 3.49Å; Y394-F422 VanDerWaalsContact CD1-CZ 3.49Å; Y394-F422 HydrophobicContact CE1-CE1 4.07Å; Y394-F422 HydrophobicContact CE1-CE2 4.07Å; Y394-F422 AromaticContact CE1-CZ 3.39Å; Y394-F422 HydrophobicContact CE1-CZ 3.39Å; Y394-F422 HydrophobicContact CG-CZ 4.45Å; V395-F422 HydrophobicContact CG1-CD2 3.99Å; V395-F422 HydrophobicContact CG1-CE2 3.81Å; F422-F425 HydrophobicContact CB-CE1 4.19Å; F422-F425 HydrophobicContact CB-CE2 4.05Å; F422-F425 HydrophobicContact CB-CZ 3.72Å; F422-F425 HydrophobicContact CD1-CD1 4.4Å; F422-F425 AromaticContact CD1-CE1 3.6Å; F422-F425 HydrophobicContact CD1-CE1 3.6Å; F422-F425 AromaticContact CD1-CZ 3.89Å; F422-F425 HydrophobicContact CD1-CZ 3.89Å; F422-F425 HydrophobicContact CD2-CE1 4.12Å; F422-F425 AromaticContact CD2-CZ 3.64Å; F422-F425 HydrophobicContact CD2-CZ 3.64Å; F422-F425 AromaticContact CE1-CE1 3.93Å; F422-F425 HydrophobicContact CE1-CE1 3.93Å; F422-F425 HydrophobicContact CE1-CZ 4.43Å; F422-F425 HydrophobicContact CE2-CE1 4.4Å; F422-F425 HydrophobicContact CE2-CZ 4.19Å; F422-F425 AromaticContact CG-CE1 3.7Å; F422-F425 HydrophobicContact CG-CE1 3.7Å; F422-F425 HydrophobicContact CG-CE2 4.28Å; F422-F425 AromaticContact CG-CZ 3.46Å; F422-F425 HydrophobicContact CG-CZ 3.46Å; F422-F425 VanDerWaalsContact CG-CZ 3.46Å; F422-F425 HydrophobicContact CZ-CE1 4.31Å; F422-L464 HydrophobicContact CB-CD2 4.2Å; F422-L464 CarbonylContact O-C 3.58Å; F422-L464 WeakPolarHBondContact O-CA 3.41Å; F422-A465 PolarHBondContact O-N 2.89Å
423	T	92.4	Very high	93.9	Very high	42 Å²	42	24.7 Å²	24.7	26%	0.258	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-34.4	176.1	52	0	0	0	0	111.7	K354 Y371	K354-T423 WeakPolarHBondContact CB-OG1 3.18Å; K354-T423 PolarHBondContact O-N 2.98Å; K354-T423 PolarHBondContact O-OG1 2.93Å; Y371-T423 HydrophobicContact CD1-CG2 4.49Å; Y371-T423 HydrophobicContact CE1-CG2 4.2Å
424	S	93.4	Very high	93.9	Very high	28 Å²	28	21.5 Å²	21.5	20%	0.196	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.8	173.3	65.3	0	0	0	0	111.5	G353 K354 E468	G353-S424 WeakPolarHBondContact CA-O 3.42Å; K354-S424 WeakPolarHBondContact CB-OG 3.24Å; K354-S424 PolarHBondContact N-O 3.35Å; K354-S424 PolarHBondContact O-N 3.49Å; S424-E468 WeakPolarHBondContact CA-OE1 3.5Å; S424-E468 VanDerWaalsContact CB-OE1 3.27Å; S424-E468 WeakPolarHBondContact CB-OE1 3.48Å
425	F	94.9	Very high	93.9	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.031	11%	0.106	C	C	.	.			trans	-102.2	144.6	172.5	-70.1	-71.7	0	0	0	112	F374 I377 F391 F422 L429 L460 L464 A472 Y474	F374-F425 HydrophobicContact CZ-CD1 4.05Å; F374-F425 HydrophobicContact CZ-CE1 4.38Å; I377-F425 HydrophobicContact CD1-CD1 4.29Å; I377-F425 HydrophobicContact CD1-CE1 3.8Å; F391-F425 HydrophobicContact CE1-CE1 4.33Å; F391-F425 HydrophobicContact CE1-CZ 4.42Å; F422-F425 HydrophobicContact CB-CE1 4.19Å; F422-F425 HydrophobicContact CB-CE2 4.05Å; F422-F425 HydrophobicContact CB-CZ 3.72Å; F422-F425 HydrophobicContact CD1-CD1 4.4Å; F422-F425 AromaticContact CD1-CE1 3.6Å; F422-F425 HydrophobicContact CD1-CE1 3.6Å; F422-F425 AromaticContact CD1-CZ 3.89Å; F422-F425 HydrophobicContact CD1-CZ 3.89Å; F422-F425 HydrophobicContact CD2-CE1 4.12Å; F422-F425 AromaticContact CD2-CZ 3.64Å; F422-F425 HydrophobicContact CD2-CZ 3.64Å; F422-F425 AromaticContact CE1-CE1 3.93Å; F422-F425 HydrophobicContact CE1-CE1 3.93Å; F422-F425 HydrophobicContact CE1-CZ 4.43Å; F422-F425 HydrophobicContact CE2-CE1 4.4Å; F422-F425 HydrophobicContact CE2-CZ 4.19Å; F422-F425 AromaticContact CG-CE1 3.7Å; F422-F425 HydrophobicContact CG-CE1 3.7Å; F422-F425 HydrophobicContact CG-CE2 4.28Å; F422-F425 AromaticContact CG-CZ 3.46Å; F422-F425 HydrophobicContact CG-CZ 3.46Å; F422-F425 VanDerWaalsContact CG-CZ 3.46Å; F422-F425 HydrophobicContact CZ-CE1 4.31Å; F425-L429 HydrophobicContact CD1-CD1 4.34Å; F425-L460 HydrophobicContact CD2-CB 4.22Å; F425-L460 HydrophobicContact CE1-CD1 4.32Å; F425-L460 HydrophobicContact CE2-CB 3.77Å; F425-L460 HydrophobicContact CE2-CD1 4.44Å; F425-L460 HydrophobicContact CZ-CB 4.2Å; F425-L460 HydrophobicContact CZ-CD1 4.27Å; F425-L464 HydrophobicContact CD2-CD1 4.36Å; F425-L464 HydrophobicContact CD2-CD2 3.54Å; F425-L464 HydrophobicContact CD2-CG 3.92Å; F425-L464 HydrophobicContact CE2-CD2 3.69Å; F425-L464 HydrophobicContact CE2-CG 3.85Å; F425-A472 HydrophobicContact CD2-CB 4.35Å; F425-Y474 HydrophobicContact CB-CE2 4.21Å; F425-Y474 WeakPolarHBondContact CB-OH 3.46Å
426	P	95.6	Very high	93.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.013	10%	0.101	C	C	.	.			trans	-75.9	159.8	-177.7	30.8	-35.7	0	0	0	113.1	F351 V428 L429 Y474	F351-P426 VanDerWaalsContact C-CB 3.47Å; F351-P426 WeakPolarHBondContact O-CB 3.06Å; P426-V428 VanDerWaalsContact C-N 3.28Å; P426-V428 WeakPolarHBondContact CG-O 3.46Å; P426-V428 PolarHBondContact O-N 2.77Å; P426-L429 HydrophobicContact CG-CB 4.48Å; P426-L429 HydrophobicContact CG-CD1 4.08Å; P426-Y474 WeakPolarHBondContact O-CE1 3.36Å; P426-Y474 PolarHBondContact O-OH 3.22Å
427	P	96.1	Very high	93	Very high	21 Å²	21	21.1 Å²	21.1	14%	0.136	11%	0.112	C	C	.	.	S	Bend	trans	-55.2	-40.2	172.2	-27.8	35.9	0	0	0	114	G349 L350 I546 R547 E550 V554	G349-P427 WeakPolarHBondContact O-CG 3.49Å; L350-P427 WeakPolarHBondContact O-CD 3.32Å; P427-I546 WeakPolarHBondContact O-CA 3.34Å; P427-R547 PolarHBondContact O-N 3.1Å; P427-E550 HydrophobicContact CB-CB 4.16Å; P427-E550 HydrophobicContact CB-CG 4.17Å; P427-E550 HydrophobicContact CG-CG 4.36Å; P427-V554 HydrophobicContact CB-CG2 4.23Å
428	V	97.3	Very high	92.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.9	175.1	-173.1	0	0	0	0	109	T262 L350 F351 P426 V544 I546 V554	T262-V428 HydrophobicContact CG2-CG2 4.16Å; L350-V428 PolarHBondContact O-N 2.94Å; F351-V428 HydrophobicContact CD1-CB 3.78Å; F351-V428 HydrophobicContact CD1-CG1 3.99Å; F351-V428 HydrophobicContact CE1-CB 3.68Å; F351-V428 HydrophobicContact CE1-CG1 3.59Å; F351-V428 HydrophobicContact CE1-CG2 4.32Å; P426-V428 VanDerWaalsContact C-N 3.28Å; P426-V428 WeakPolarHBondContact CG-O 3.46Å; P426-V428 PolarHBondContact O-N 2.77Å; V428-V544 HydrophobicContact CG1-CG1 3.75Å; V428-I546 HydrophobicContact CG2-CG1 4.45Å; V428-V554 HydrophobicContact CG2-CG1 3.76Å; V428-V554 HydrophobicContact CG2-CG2 4.26Å
429	L	97.3	Very high	91.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.6	-174.8	-178.9	63.5	0	0	0	110.5	F374 I377 F425 P426 L431 L460 Y474 V544 Y545	F374-L429 HydrophobicContact CE2-CD1 4.31Å; I377-L429 HydrophobicContact CD1-CD1 3.8Å; I377-L429 HydrophobicContact CG1-CD1 4.26Å; F425-L429 HydrophobicContact CD1-CD1 4.34Å; P426-L429 HydrophobicContact CG-CB 4.48Å; P426-L429 HydrophobicContact CG-CD1 4.08Å; L429-L431 HydrophobicContact CD1-CD2 4.02Å; L429-L431 HydrophobicContact CD2-CD1 4.47Å; L429-L431 HydrophobicContact CD2-CD2 3.92Å; L429-L431 HydrophobicContact CD2-CG 4.33Å; L429-L431 HydrophobicContact CG-CD2 3.74Å; L429-L431 HydrophobicContact CG-CG 4.11Å; L429-L460 HydrophobicContact CD2-CD1 3.53Å; L429-Y474 HydrophobicContact CB-CD1 4.08Å; L429-Y474 HydrophobicContact CB-CE1 3.73Å; L429-Y474 HydrophobicContact CD2-CD1 4.43Å; L429-Y474 HydrophobicContact CD2-CE1 4.32Å; L429-V544 WeakPolarHBondContact O-CA 3.4Å; L429-Y545 PolarHBondContact N-O 2.97Å; L429-Y545 PolarHBondContact O-N 3.42Å
430	H	97.4	Very high	90.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.5	172.8	-68	157.7	0	0	0	110.6	L327 F351 D376 I377 M542	L327-H430 VanDerWaalsContact CD2-ND1 3.31Å; L327-H430 WeakPolarHBondContact CD2-ND1 3.37Å; F351-H430 AromaticContact CD1-CE1 3.5Å; F351-H430 VanDerWaalsContact CD1-CE1 3.5Å; F351-H430 WeakPolarHBondContact CD1-CE1 3.44Å; F351-H430 AromaticContact CD1-ND1 3.99Å; F351-H430 AromaticContact CD1-NE2 3.98Å; F351-H430 AromaticContact CE1-CE1 3.36Å; F351-H430 WeakPolarHBondContact CE1-CE1 3.37Å; F351-H430 AromaticContact CE1-NE2 3.61Å; D376-H430 WeakPolarHBondContact CA-O 3.32Å; D376-H430 HydrophobicContact CB-CB 4.15Å; I377-H430 PolarHBondContact N-O 3.33Å; H430-M542 HydrophobicContact CB-CE 3.56Å; H430-M542 VanDerWaalsContact CG-CE 3.48Å
431	L	97.3	Very high	89.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.8	176.5	-55.7	-179.3	0	0	0	109.4	I377 L379 I387 F391 L429 M542 L543 Y545	I377-L431 HydrophobicContact CB-CD2 3.82Å; I377-L431 HydrophobicContact CD1-CD2 4.14Å; I377-L431 HydrophobicContact CG1-CD2 4.31Å; L379-L431 HydrophobicContact CD1-CB 4.27Å; L379-L431 HydrophobicContact CD1-CD1 4.15Å; L379-L431 HydrophobicContact CD1-CD2 4.41Å; I387-L431 HydrophobicContact CD1-CD1 3.59Å; F391-L431 HydrophobicContact CE2-CD1 4.01Å; F391-L431 HydrophobicContact CE2-CD2 4.35Å; F391-L431 HydrophobicContact CZ-CD1 4.19Å; F391-L431 HydrophobicContact CZ-CD2 3.79Å; L429-L431 HydrophobicContact CD1-CD2 4.02Å; L429-L431 HydrophobicContact CD2-CD1 4.47Å; L429-L431 HydrophobicContact CD2-CD2 3.92Å; L429-L431 HydrophobicContact CD2-CG 4.33Å; L429-L431 HydrophobicContact CG-CD2 3.74Å; L429-L431 HydrophobicContact CG-CG 4.11Å; L431-M542 CarbonylContact O-C 3.55Å; L431-M542 WeakPolarHBondContact O-CA 3.4Å; L431-L543 HydrophobicContact CB-CB 4.29Å; L431-L543 PolarHBondContact N-O 2.93Å; L431-L543 PolarHBondContact O-N 3.3Å; L431-Y545 HydrophobicContact CD1-CD2 3.8Å; L431-Y545 HydrophobicContact CD1-CE2 3.78Å; L431-Y545 HydrophobicContact CG-CD2 4.37Å
432	H	95.4	Very high	88.9	Confident	13 Å²	13	34.1 Å²	34.1	6%	0.06	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.7	176.3	175.6	-143.6	0	0	0	109.1	Q324 I377 Q378 L379 Y541	Q324-H432 HydrophobicContact CG-CB 4.48Å; I377-H432 PolarHBondContact O-N 2.93Å; Q378-H432 HydrophobicContact CG-CB 4.44Å; L379-H432 PolarHBondContact N-O 2.85Å; H432-Y541 AromaticContact CD2-CE2 3.9Å; H432-Y541 AromaticContact CD2-CZ 3.69Å; H432-Y541 AromaticContact NE2-CE1 3.93Å; H432-Y541 AromaticContact NE2-CE2 3.44Å; H432-Y541 WeakPolarHBondContact NE2-CE2 3.32Å; H432-Y541 AromaticContact NE2-CZ 3.14Å; H432-Y541 PolarHBondContact NE2-OH 3.32Å
433	L	94.9	Very high	88.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.1	178.1	-55.6	-176.9	0	0	0	108.2	L379 I381 R435 F452 A540 Y541 L543	L379-L433 HydrophobicContact CB-CD2 4.23Å; L379-L433 HydrophobicContact CD1-CD2 4.28Å; I381-L433 HydrophobicContact CG2-CB 4.04Å; I381-L433 HydrophobicContact CG2-CD2 4.45Å; L433-R435 PolarHBondContact O-N 3.3Å; L433-F452 HydrophobicContact CD1-CD1 3.94Å; L433-F452 HydrophobicContact CD1-CE1 4.04Å; L433-F452 HydrophobicContact CD2-CD1 4.25Å; L433-F452 HydrophobicContact CD2-CE1 3.56Å; L433-F452 HydrophobicContact CD2-CZ 4.15Å; L433-F452 HydrophobicContact CG-CE1 4.44Å; L433-A540 HydrophobicContact CD1-CB 4.17Å; L433-A540 WeakPolarHBondContact CD1-O 3.32Å; L433-Y541 WeakPolarHBondContact CB-O 3.35Å; L433-Y541 PolarHBondContact N-O 2.66Å; L433-L543 HydrophobicContact CD1-CD1 4.17Å; L433-L543 HydrophobicContact CD1-CG 4.23Å; L433-L543 HydrophobicContact CD2-CD1 4.36Å
434	M	92.1	Very high	87.2	Confident	49 Å²	49	40.1 Å²	40.1	24%	0.241	22%	0.22	C	C	.	.			trans	-72.3	60.4	-175.3	-67	-67.3	-70.2	0	0	112.6	Q378 L379 Q437	Q378-M434 HydrophobicContact CB-CG 4.14Å; Q378-M434 HydrophobicContact CB-SD 4Å; Q378-M434 HydrophobicContact CG-SD 4.25Å; L379-M434 WeakPolarHBondContact O-CB 3.4Å; L379-M434 WeakPolarHBondContact O-CG 3.42Å; L379-M434 PolarHBondContact O-N 2.84Å; M434-Q437 PolarHBondContact O-NE2 3.42Å
435	R	90.2	Very high	86.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.			trans	-74.3	-23.3	178.7	-78.1	-167.9	-177.6	-80.6	4.2	113.3	I381 L433 K447 Y448 D450 Y524 N539 A540 Y541	I381-R435 HydrophobicContact CD1-CB 4.03Å; I381-R435 HydrophobicContact CD1-CG 3.24Å; L433-R435 PolarHBondContact O-N 3.3Å; R435-K447 CarbonylContact O-C 3.54Å; R435-K447 VanDerWaalsContact O-CA 3.28Å; R435-K447 WeakPolarHBondContact O-CA 3.3Å; R435-Y448 PolarHBondContact NH1-O 2.89Å; R435-Y448 PolarHBondContact O-N 3.19Å; R435-D450 PolarHBondContact NH1-O 3.43Å; R435-D450 PolarHBondContact NH2-O 2.94Å; R435-Y524 PolarHBondContact NH2-O 3.23Å; R435-N539 WeakPolarHBondContact CD-OD1 3.34Å; R435-N539 PolarHBondContact NE-OD1 3.03Å; R435-A540 VanDerWaalsContact CD-O 3.27Å; R435-A540 WeakPolarHBondContact CD-O 3.37Å; R435-A540 PolarHBondContact NE-O 3.22Å; R435-Y541 HydrophobicContact CB-CD2 4.36Å
436	F	86.6	Confident	85.7	Confident	37 Å²	37	42.9 Å²	42.9	16%	0.162	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	173.9	-57.9	-85.4	0	0	0	108.7	I446 K447 H482 N486 Y541	F436-I446 WeakPolarHBondContact CA-O 3.21Å; F436-K447 HydrophobicContact CD1-CB 3.82Å; F436-K447 HydrophobicContact CD1-CG 3.95Å; F436-K447 HydrophobicContact CE1-CB 3.64Å; F436-K447 HydrophobicContact CE1-CD 3.67Å; F436-K447 HydrophobicContact CE1-CG 3.54Å; F436-K447 HydrophobicContact CZ-CD 3.78Å; F436-K447 HydrophobicContact CZ-CG 3.93Å; F436-H482 AromaticContact CZ-CE1 3.79Å; F436-H482 AromaticContact CZ-ND1 3.62Å; F436-N486 HydrophobicContact CD1-CB 4.3Å; F436-N486 WeakPolarHBondContact CD1-OD1 3.45Å; F436-N486 HydrophobicContact CE1-CB 4.37Å; F436-Y541 HydrophobicContact CD2-CD2 4.09Å; F436-Y541 AromaticContact CD2-CE2 3.42Å; F436-Y541 HydrophobicContact CD2-CE2 3.42Å; F436-Y541 VanDerWaalsContact CD2-CE2 3.42Å; F436-Y541 AromaticContact CD2-CZ 4Å; F436-Y541 AromaticContact CE2-CD2 3.76Å; F436-Y541 HydrophobicContact CE2-CD2 3.76Å; F436-Y541 AromaticContact CE2-CE2 3.5Å; F436-Y541 HydrophobicContact CE2-CE2 3.5Å; F436-Y541 VanDerWaalsContact CE2-CE2 3.5Å
437	Q	80.5	Confident	85.3	Confident	50 Å²	50	43.5 Å²	43.5	23%	0.234	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146	170	-54.1	177.2	6.4	0	0	108.9	N380 M434 D439 I446 Y448	N380-Q437 PolarHBondContact OD1-NE2 2.89Å; M434-Q437 PolarHBondContact O-NE2 3.42Å; Q437-D439 PolarHBondContact O-N 2.74Å; Q437-I446 PolarHBondContact N-O 3.45Å; Q437-I446 VanDerWaalsContact N-O 3.15Å; Q437-I446 PolarHBondContact O-N 2.88Å; Q437-Y448 HydrophobicContact CB-CE2 3.75Å; Q437-Y448 VanDerWaalsContact CD-CE2 3.49Å; Q437-Y448 HydrophobicContact CG-CD2 4.18Å; Q437-Y448 HydrophobicContact CG-CE2 3.66Å
438	Y	79.1	Confident	84.9	Confident	123 Å²	123	44.3 Å²	44.3	48%	0.482	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.9	171.5	175.6	-101.1	0	0	0	109.3	P440 D443	Y438-P440 HydrophobicContact CD1-CG 4.14Å; Y438-P440 HydrophobicContact CE1-CB 4.11Å; Y438-P440 HydrophobicContact CE1-CG 4.01Å; Y438-P440 WeakPolarHBondContact O-CD 3.31Å; Y438-D443 PolarHBondContact OH-OD1 3.26Å
439	D	74.2	Confident	84.4	Confident	39 Å²	39	46.2 Å²	46.2	21%	0.209	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.4	172	-177.6	0.6	0	0	0	109.3	Q437 V441 T442 D443 S444 I446	Q437-D439 PolarHBondContact O-N 2.74Å; D439-V441 PolarHBondContact O-N 2.81Å; D439-V441 WeakPolarHBondContact OD1-CB 3.44Å; D439-V441 PolarHBondContact OD1-N 2.85Å; D439-T442 WeakPolarHBondContact CB-OG1 3.36Å; D439-T442 PolarHBondContact O-N 2.8Å; D439-D443 PolarHBondContact O-N 2.89Å; D439-S444 PolarHBondContact N-O 2.84Å; D439-S444 PolarHBondContact O-N 2.77Å; D439-I446 HydrophobicContact CB-CD1 3.52Å; D439-I446 HydrophobicContact CB-CG1 3.95Å; D439-I446 VanDerWaalsContact OD2-CD1 3.32Å; D439-I446 WeakPolarHBondContact OD2-CD1 3.42Å
440	P	74	Confident	84	Confident	99 Å²	99	49.8 Å²	49.8	64%	0.643	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.6	178.6	-20.1	32.8	0	0	0	113.6	Y438	Y438-P440 HydrophobicContact CD1-CG 4.14Å; Y438-P440 HydrophobicContact CE1-CB 4.11Å; Y438-P440 HydrophobicContact CE1-CG 4.01Å; Y438-P440 WeakPolarHBondContact O-CD 3.31Å
441	V	74.8	Confident	83.7	Confident	131 Å²	131	56.1 Å²	56.1	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-39.6	-179.3	-177.7	0	0	0	0	110.9	D439	D439-V441 PolarHBondContact O-N 2.81Å; D439-V441 WeakPolarHBondContact OD1-CB 3.44Å; D439-V441 PolarHBondContact OD1-N 2.85Å
442	T	70.4	Confident	83.6	Confident	72 Å²	72	56.2 Å²	56.2	44%	0.442	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.2	-179.3	61.9	0	0	0	0	113.2	D439 S444 I446	D439-T442 WeakPolarHBondContact CB-OG1 3.36Å; D439-T442 PolarHBondContact O-N 2.8Å; T442-S444 VanDerWaalsContact CB-OG 3.32Å; T442-S444 WeakPolarHBondContact CB-OG 3.48Å; T442-S444 PolarHBondContact O-N 3.19Å; T442-S444 VanDerWaalsContact O-N 3.15Å; T442-S444 PolarHBondContact O-OG 2.86Å; T442-S444 PolarHBondContact OG1-OG 3.46Å; T442-I446 HydrophobicContact CG2-CD1 4.28Å
443	D	76.7	Confident	83.7	Confident	123 Å²	123	57.5 Å²	57.5	66%	0.658	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	40.6	-174.8	-165.5	23.8	0	0	0	112.3	Y438 D439	Y438-D443 PolarHBondContact OH-OD1 3.26Å; D439-D443 PolarHBondContact O-N 2.89Å
444	S	72.1	Confident	83.8	Confident	45 Å²	45	57.5 Å²	57.5	32%	0.315	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	151.8	-175.3	43.2	0	0	0	0	111.3	D439 T442	D439-S444 PolarHBondContact N-O 2.84Å; D439-S444 PolarHBondContact O-N 2.77Å; T442-S444 VanDerWaalsContact CB-OG 3.32Å; T442-S444 WeakPolarHBondContact CB-OG 3.48Å; T442-S444 PolarHBondContact O-N 3.19Å; T442-S444 VanDerWaalsContact O-N 3.15Å; T442-S444 PolarHBondContact O-OG 2.86Å; T442-S444 PolarHBondContact OG1-OG 3.46Å
445	S	76.2	Confident	83.9	Confident	32 Å²	32	58.8 Å²	58.8	22%	0.224	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.8	173.9	-66.3	0	0	0	0	110.6	N486	S445-N486 VanDerWaalsContact CB-ND2 3.34Å; S445-N486 WeakPolarHBondContact CB-ND2 3.28Å; S445-N486 WeakPolarHBondContact O-CB 3.48Å; S445-N486 PolarHBondContact O-ND2 3.05Å
446	I	81.4	Confident	84.1	Confident	61 Å²	61	60.6 Å²	60.6	31%	0.313	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.9	-178	-58	-178.8	0	0	0	109.2	F436 Q437 D439 T442	F436-I446 WeakPolarHBondContact CA-O 3.21Å; Q437-I446 PolarHBondContact N-O 3.45Å; Q437-I446 VanDerWaalsContact N-O 3.15Å; Q437-I446 PolarHBondContact O-N 2.88Å; D439-I446 HydrophobicContact CB-CD1 3.52Å; D439-I446 HydrophobicContact CB-CG1 3.95Å; D439-I446 VanDerWaalsContact OD2-CD1 3.32Å; D439-I446 WeakPolarHBondContact OD2-CD1 3.42Å; T442-I446 HydrophobicContact CG2-CD1 4.28Å
447	K	87.4	Confident	84.5	Confident	16 Å²	16	63.8 Å²	63.8	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.1	171.2	-169.9	-175.4	-179.6	-127.5	0	110.9	R435 F436 N449 H482 G484 C537 N539	R435-K447 CarbonylContact O-C 3.54Å; R435-K447 VanDerWaalsContact O-CA 3.28Å; R435-K447 WeakPolarHBondContact O-CA 3.3Å; F436-K447 HydrophobicContact CD1-CB 3.82Å; F436-K447 HydrophobicContact CD1-CG 3.95Å; F436-K447 HydrophobicContact CE1-CB 3.64Å; F436-K447 HydrophobicContact CE1-CD 3.67Å; F436-K447 HydrophobicContact CE1-CG 3.54Å; F436-K447 HydrophobicContact CZ-CD 3.78Å; F436-K447 HydrophobicContact CZ-CG 3.93Å; K447-N449 PolarHBondContact NZ-OD1 2.96Å; K447-N449 PolarHBondContact O-N 3.36Å; K447-N449 PolarHBondContact O-ND2 3.45Å; K447-H482 WeakPolarHBondContact CE-ND1 3.39Å; K447-H482 PolarHBondContact NZ-O 2.89Å; K447-G484 WeakPolarHBondContact CD-O 3.26Å; K447-G484 PolarHBondContact NZ-O 2.88Å; K447-C537 PolarHBondContact NZ-O 3.29Å; K447-N539 VanDerWaalsContact CE-OD1 3.24Å; K447-N539 WeakPolarHBondContact CE-OD1 3.41Å; K447-N539 PolarHBondContact NZ-ND2 3.47Å; K447-N539 PolarHBondContact NZ-OD1 3.38Å
448	Y	86.9	Confident	85.3	Confident	37 Å²	37	61.6 Å²	61.6	15%	0.145	31%	0.314	C	S	.	.			trans	-77.7	114.5	170.9	-66.9	-70.3	0	0	0	111	K382 R435 Q437	K382-Y448 HydrophobicContact CD-CE1 4.24Å; K382-Y448 HydrophobicContact CG-CE1 4.47Å; K382-Y448 PolarHBondContact NZ-OH 3.06Å; R435-Y448 PolarHBondContact NH1-O 2.89Å; R435-Y448 PolarHBondContact O-N 3.19Å; Q437-Y448 HydrophobicContact CB-CE2 3.75Å; Q437-Y448 VanDerWaalsContact CD-CE2 3.49Å; Q437-Y448 HydrophobicContact CG-CD2 4.18Å; Q437-Y448 HydrophobicContact CG-CE2 3.66Å
449	N	87.8	Confident	86.1	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.219	30%	0.304	C	S	.	.			trans	-99.7	11.4	178.7	-63.8	-59	0	0	0	113.3	K447 G525 G526 N539	K447-N449 PolarHBondContact NZ-OD1 2.96Å; K447-N449 PolarHBondContact O-N 3.36Å; K447-N449 PolarHBondContact O-ND2 3.45Å; N449-G525 CarbonylContact O-C 3.5Å; N449-G526 PolarHBondContact O-N 2.92Å; N449-N539 WeakPolarHBondContact CA-ND2 3.47Å; N449-N539 PolarHBondContact OD1-ND2 3.3Å
450	D	88.5	Confident	87	Confident	76 Å²	76	56.3 Å²	56.3	41%	0.406	29%	0.294	S	S	.	.			trans	-55.6	149.5	-179.6	-58.1	1.1	0	0	0	111.8	R435 F452	R435-D450 PolarHBondContact NH1-O 3.43Å; R435-D450 PolarHBondContact NH2-O 2.94Å; D450-F452 PolarHBondContact O-N 3.2Å
451	R	92	Very high	87.8	Confident	134 Å²	134	53.6 Å²	53.6	51%	0.506	27%	0.274	S	S	.	.			trans	-68.9	118.7	178.4	-172.2	168.7	-178.8	-87.3	-7.1	109.8	E453 Y524 G525	R451-E453 IonicContact CZ-OE1 3.59Å; R451-E453 IonicContact NH1-OE1 3.25Å; R451-E453 PolarHBondContact NH1-OE1 3.38Å; R451-E453 IonicContact NH2-OE1 2.72Å; R451-E453 PolarHBondContact NH2-OE1 2.8Å; R451-Y524 WeakPolarHBondContact CA-O 3.35Å; R451-G525 WeakPolarHBondContact CB-O 3.45Å; R451-G525 WeakPolarHBondContact CG-O 3.48Å
452	F	94.8	Very high	88.6	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	27%	0.268	C	S	.	.			trans	-132.8	116.2	-179.7	-177.8	-98.2	0	0	0	110.5	I381 K384 N386 I387 S390 L433 D450 Y524	I381-F452 HydrophobicContact CB-CD2 4.13Å; I381-F452 HydrophobicContact CB-CE2 4.48Å; I381-F452 HydrophobicContact CG2-CD1 4.48Å; I381-F452 HydrophobicContact CG2-CD2 4.05Å; I381-F452 HydrophobicContact CG2-CE2 4.13Å; I381-F452 HydrophobicContact CG2-CG 4.21Å; I381-F452 HydrophobicContact CG2-CZ 4.33Å; K384-F452 HydrophobicContact CB-CE2 4.33Å; N386-F452 VanDerWaalsContact C-CE2 3.45Å; N386-F452 WeakPolarHBondContact O-CE2 3.44Å; I387-F452 HydrophobicContact CB-CZ 4.28Å; S390-F452 WeakPolarHBondContact OG-CE2 3.39Å; L433-F452 HydrophobicContact CD1-CD1 3.94Å; L433-F452 HydrophobicContact CD1-CE1 4.04Å; L433-F452 HydrophobicContact CD2-CD1 4.25Å; L433-F452 HydrophobicContact CD2-CE1 3.56Å; L433-F452 HydrophobicContact CD2-CZ 4.15Å; L433-F452 HydrophobicContact CG-CE1 4.44Å; D450-F452 PolarHBondContact O-N 3.2Å; F452-Y524 PolarHBondContact N-O 2.86Å; F452-Y524 WeakPolarHBondContact O-CA 3.42Å; F452-Y524 WeakPolarHBondContact O-CB 3.45Å; F452-Y524 VanDerWaalsContact O-CD1 3.28Å; F452-Y524 WeakPolarHBondContact O-CD1 3.3Å
453	E	96.2	Very high	89.5	Confident	41 Å²	41	52.8 Å²	52.8	19%	0.192	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-88.7	132.6	-175.3	-60.1	176.9	156.9	0	0	112.2	K385 N386 I387 R451 Y524	K385-E453 PolarHBondContact O-N 2.88Å; N386-E453 CarbonylContact C-O 3.52Å; N386-E453 WeakPolarHBondContact CA-O 3.38Å; N386-E453 HydrophobicContact CB-CB 3.97Å; I387-E453 PolarHBondContact N-O 3.43Å; R451-E453 IonicContact CZ-OE1 3.59Å; R451-E453 IonicContact NH1-OE1 3.25Å; R451-E453 PolarHBondContact NH1-OE1 3.38Å; R451-E453 IonicContact NH2-OE1 2.72Å; R451-E453 PolarHBondContact NH2-OE1 2.8Å; E453-Y524 HydrophobicContact CB-CD2 4.49Å; E453-Y524 HydrophobicContact CB-CE1 4.43Å; E453-Y524 HydrophobicContact CB-CE2 4.26Å; E453-Y524 HydrophobicContact CG-CD2 3.9Å; E453-Y524 HydrophobicContact CG-CE2 3.92Å; E453-Y524 HydrophobicContact CG-CG 4.34Å
454	F	96.9	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.222	C	C	.	.			trans	-130.7	154.7	170.4	57.2	-90.1	0	0	0	109.7	L476 V479 I520 N523 Y524 A540 L543	F454-L476 HydrophobicContact CD2-CD2 4.08Å; F454-L476 HydrophobicContact CE2-CD2 4.1Å; F454-V479 HydrophobicContact CE2-CG1 4.11Å; F454-V479 HydrophobicContact CE2-CG2 3.85Å; F454-V479 HydrophobicContact CZ-CG1 3.83Å; F454-V479 HydrophobicContact CZ-CG2 4.41Å; F454-I520 HydrophobicContact CD2-CG2 3.99Å; F454-I520 HydrophobicContact CE2-CB 4.19Å; F454-I520 HydrophobicContact CE2-CG1 4.39Å; F454-I520 HydrophobicContact CE2-CG2 3.69Å; F454-I520 HydrophobicContact CZ-CG2 4.35Å; F454-I520 WeakPolarHBondContact CZ-O 3.36Å; F454-N523 HydrophobicContact CZ-CB 4.17Å; F454-Y524 AromaticContact CD1-CD1 3.73Å; F454-Y524 HydrophobicContact CD1-CD1 3.73Å; F454-Y524 AromaticContact CD1-CE1 3.77Å; F454-Y524 HydrophobicContact CD1-CE1 3.77Å; F454-Y524 HydrophobicContact CD2-CE1 4.33Å; F454-Y524 AromaticContact CE1-CD1 3.54Å; F454-Y524 HydrophobicContact CE1-CD1 3.54Å; F454-Y524 AromaticContact CE1-CE1 3.82Å; F454-Y524 HydrophobicContact CE1-CE1 3.82Å; F454-Y524 HydrophobicContact CE2-CE1 4.37Å; F454-Y524 HydrophobicContact CG-CD1 4.45Å; F454-Y524 HydrophobicContact CG-CE1 4.03Å; F454-Y524 HydrophobicContact CZ-CD1 4.12Å; F454-Y524 HydrophobicContact CZ-CE1 4.11Å; F454-Y524 VanDerWaalsContact N-CE1 3.32Å; F454-Y524 VanDerWaalsContact O-CE1 3.26Å; F454-Y524 WeakPolarHBondContact O-CE1 3.34Å; F454-Y524 PolarHBondContact O-OH 2.98Å; F454-A540 HydrophobicContact CD1-CB 4.33Å; F454-A540 HydrophobicContact CE1-CB 3.44Å; F454-A540 VanDerWaalsContact CE1-CB 3.44Å; F454-A540 HydrophobicContact CZ-CB 3.74Å; F454-L543 HydrophobicContact CB-CD1 3.57Å; F454-L543 HydrophobicContact CD1-CD1 4.09Å; F454-L543 HydrophobicContact CD1-CD2 4.21Å; F454-L543 HydrophobicContact CD2-CD1 4.05Å; F454-L543 HydrophobicContact CD2-CD2 3.78Å; F454-L543 HydrophobicContact CE1-CD2 4.22Å; F454-L543 HydrophobicContact CE2-CD2 3.78Å; F454-L543 HydrophobicContact CG-CD1 3.64Å; F454-L543 HydrophobicContact CG-CD2 4.01Å; F454-L543 HydrophobicContact CZ-CD2 4.02Å
455	Y	95.9	Very high	90.8	Very high	75 Å²	75	48.4 Å²	48.4	29%	0.294	23%	0.23	S	C	.	.			trans	-120.7	154.9	-166.4	-53.4	-70.8	0	0	0	111.5	N386 I387 Y388 H457 Y545	N386-Y455 HydrophobicContact CB-CE2 4.33Å; I387-Y455 HydrophobicContact CG2-CD2 3.8Å; I387-Y455 HydrophobicContact CG2-CE2 3.97Å; Y388-Y455 HydrophobicContact CD2-CD2 4.22Å; Y388-Y455 AromaticContact CD2-CE2 3.72Å; Y388-Y455 HydrophobicContact CD2-CE2 3.72Å; Y388-Y455 AromaticContact CE2-CD2 3.59Å; Y388-Y455 HydrophobicContact CE2-CD2 3.59Å; Y388-Y455 AromaticContact CE2-CE2 3.48Å; Y388-Y455 HydrophobicContact CE2-CE2 3.48Å; Y388-Y455 VanDerWaalsContact CE2-CE2 3.48Å; Y455-H457 VanDerWaalsContact C-N 3.29Å; Y455-H457 PolarHBondContact O-N 2.93Å; Y455-Y545 WeakPolarHBondContact O-CE1 3.38Å; Y455-Y545 PolarHBondContact O-OH 2.59Å
456	E	94.1	Very high	91.1	Very high	38 Å²	38	54.6 Å²	54.6	18%	0.178	26%	0.255	C	S	.	.	S	Bend	trans	-64.3	-36.9	175.9	-178.4	178.5	-120.3	0	0	112.2	V475 L476 K516 I520	E456-V475 CarbonylContact O-C 3.54Å; E456-V475 WeakPolarHBondContact O-CA 3.5Å; E456-L476 PolarHBondContact O-N 3.32Å; E456-K516 WeakPolarHBondContact OE1-CE 3.24Å; E456-K516 IonicContact OE1-NZ 2.73Å; E456-K516 PolarHBondContact OE1-NZ 3.34Å; E456-K516 WeakPolarHBondContact OE2-CE 3.26Å; E456-K516 IonicContact OE2-NZ 3.52Å; E456-K516 PolarHBondContact OE2-NZ 3.42Å; E456-I520 HydrophobicContact CB-CD1 4.14Å
457	H	95.7	Very high	90.9	Very high	105 Å²	105	57.1 Å²	57.1	49%	0.486	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130	177.4	-65	-86.1	0	0	0	109.4	Y455 Y474	Y455-H457 VanDerWaalsContact C-N 3.29Å; Y455-H457 PolarHBondContact O-N 2.93Å; H457-Y474 WeakPolarHBondContact CA-O 3.34Å
458	I	95.9	Very high	90.5	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.8	174.8	66.1	177.7	0	0	0	110	I387 L460 Y474 Y545	I387-I458 HydrophobicContact CD1-CD1 4.1Å; I387-I458 HydrophobicContact CG2-CG2 4.35Å; I458-L460 HydrophobicContact CD1-CD1 4.12Å; I458-L460 HydrophobicContact CD1-CD2 4.25Å; I458-L460 HydrophobicContact CD1-CG 4.22Å; I458-L460 HydrophobicContact CG1-CG 4.39Å; I458-Y474 PolarHBondContact N-O 2.91Å; I458-Y474 PolarHBondContact O-N 3.09Å; I458-Y545 HydrophobicContact CB-CE1 4.46Å; I458-Y545 HydrophobicContact CD1-CD1 3.71Å; I458-Y545 HydrophobicContact CD1-CD2 4.12Å; I458-Y545 HydrophobicContact CD1-CE1 3.64Å; I458-Y545 HydrophobicContact CD1-CE2 4.05Å; I458-Y545 HydrophobicContact CD1-CG 3.95Å; I458-Y545 HydrophobicContact CG1-CD1 3.86Å; I458-Y545 HydrophobicContact CG1-CE1 3.79Å; I458-Y545 HydrophobicContact CG2-CE1 3.94Å
459	N	95.3	Very high	90	Very high	49 Å²	49	65.9 Å²	65.9	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.1	171.8	175	-88.8	0	0	0	108.3	D461 D473	N459-D461 PolarHBondContact ND2-OD2 3.48Å; N459-D461 PolarHBondContact OD1-N 3.36Å; N459-D473 WeakPolarHBondContact CB-OD1 3.42Å; N459-D473 PolarHBondContact ND2-OD1 2.83Å
460	L	94.1	Very high	89.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	33%	0.334	C	S	.	.			trans	-110.1	6.6	-176.7	-61.3	180	0	0	0	113.3	F391 F425 L429 I458 R462 Y463 A472 Y474	F391-L460 HydrophobicContact CD1-CD2 4.38Å; F391-L460 HydrophobicContact CD2-CD2 4.04Å; F391-L460 HydrophobicContact CE1-CD1 4.33Å; F391-L460 HydrophobicContact CE1-CD2 4.22Å; F391-L460 HydrophobicContact CE2-CD2 3.87Å; F391-L460 HydrophobicContact CG-CD2 4.3Å; F391-L460 HydrophobicContact CZ-CD1 3.95Å; F391-L460 HydrophobicContact CZ-CD2 3.95Å; F425-L460 HydrophobicContact CD2-CB 4.22Å; F425-L460 HydrophobicContact CE1-CD1 4.32Å; F425-L460 HydrophobicContact CE2-CB 3.77Å; F425-L460 HydrophobicContact CE2-CD1 4.44Å; F425-L460 HydrophobicContact CZ-CB 4.2Å; F425-L460 HydrophobicContact CZ-CD1 4.27Å; L429-L460 HydrophobicContact CD2-CD1 3.53Å; I458-L460 HydrophobicContact CD1-CD1 4.12Å; I458-L460 HydrophobicContact CD1-CD2 4.25Å; I458-L460 HydrophobicContact CD1-CG 4.22Å; I458-L460 HydrophobicContact CG1-CG 4.39Å; L460-R462 PolarHBondContact O-N 3.2Å; L460-R462 VanDerWaalsContact O-N 3.13Å; L460-Y463 HydrophobicContact CB-CD2 4.34Å; L460-Y463 HydrophobicContact CD2-CD2 3.97Å; L460-Y463 HydrophobicContact CD2-CE2 4.03Å; L460-Y463 PolarHBondContact O-N 2.98Å; L460-A472 HydrophobicContact CB-CB 4.22Å; L460-A472 PolarHBondContact N-O 3.44Å; L460-Y474 HydrophobicContact CD1-CD2 4.12Å; L460-Y474 HydrophobicContact CD1-CE2 4.31Å; L460-Y474 HydrophobicContact CG-CD2 4.49Å
461	D	90.9	Very high	89.7	Confident	42 Å²	42	68.4 Å²	68.4	23%	0.225	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-56.2	-35.7	-175.7	-76.2	-34.7	0	0	0	112.9	N459 Y463 L464 L471 A472	N459-D461 PolarHBondContact ND2-OD2 3.48Å; N459-D461 PolarHBondContact OD1-N 3.36Å; D461-Y463 PolarHBondContact O-N 3.33Å; D461-Y463 VanDerWaalsContact O-N 3.09Å; D461-L464 PolarHBondContact O-N 2.71Å; D461-L464 VanDerWaalsContact O-N 3.16Å; D461-L471 WeakPolarHBondContact OD2-CD2 3.4Å; D461-A472 WeakPolarHBondContact OD1-CB 3.27Å; D461-A472 PolarHBondContact OD1-N 2.92Å
462	R	90.6	Very high	89.7	Confident	176 Å²	176	62 Å²	62	66%	0.664	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-62.8	-16.8	-179.7	68.3	178.3	59.8	-171.9	-2.7	114.6	L460	L460-R462 PolarHBondContact O-N 3.2Å; L460-R462 VanDerWaalsContact O-N 3.13Å
463	Y	90.9	Very high	89.7	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.039	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-101.2	-4.3	-177.8	-53.6	-70.1	0	0	0	112.8	Y388 F391 Q392 V395 L460 D461	Y388-Y463 PolarHBondContact O-OH 3.35Å; F391-Y463 HydrophobicContact CB-CD1 4.28Å; F391-Y463 HydrophobicContact CB-CD2 4.15Å; F391-Y463 HydrophobicContact CB-CE1 3.79Å; F391-Y463 HydrophobicContact CB-CE2 3.65Å; F391-Y463 HydrophobicContact CB-CG 4.44Å; F391-Y463 VanDerWaalsContact CB-CZ 3.44Å; F391-Y463 HydrophobicContact CD1-CD2 4.3Å; F391-Y463 HydrophobicContact CG-CD2 4.36Å; F391-Y463 HydrophobicContact CG-CE2 4.14Å; Q392-Y463 HydrophobicContact CB-CE1 4.45Å; V395-Y463 HydrophobicContact CG1-CD1 4.2Å; V395-Y463 HydrophobicContact CG2-CD1 3.95Å; V395-Y463 HydrophobicContact CG2-CE1 4.35Å; L460-Y463 HydrophobicContact CB-CD2 4.34Å; L460-Y463 HydrophobicContact CD2-CD2 3.97Å; L460-Y463 HydrophobicContact CD2-CE2 4.03Å; L460-Y463 PolarHBondContact O-N 2.98Å; D461-Y463 PolarHBondContact O-N 3.33Å; D461-Y463 VanDerWaalsContact O-N 3.09Å
464	L	90.1	Very high	89.7	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-80.6	144.4	175.5	-72.7	172.7	0	0	0	111.6	F422 F425 D461 E468 A472	F422-L464 HydrophobicContact CB-CD2 4.2Å; F422-L464 CarbonylContact O-C 3.58Å; F422-L464 WeakPolarHBondContact O-CA 3.41Å; F425-L464 HydrophobicContact CD2-CD1 4.36Å; F425-L464 HydrophobicContact CD2-CD2 3.54Å; F425-L464 HydrophobicContact CD2-CG 3.92Å; F425-L464 HydrophobicContact CE2-CD2 3.69Å; F425-L464 HydrophobicContact CE2-CG 3.85Å; D461-L464 PolarHBondContact O-N 2.71Å; D461-L464 VanDerWaalsContact O-N 3.16Å; L464-E468 HydrophobicContact CD1-CG 4.32Å; L464-A472 HydrophobicContact CD1-CB 4.02Å
465	A	84.4	Confident	89.7	Confident	57 Å²	57	63.1 Å²	63.1	47%	0.471	33%	0.325	S	S	.	.	S	Bend	trans	-62.9	-43.5	175.2	0	0	0	0	0	112.1	I421 F422	I421-A465 HydrophobicContact CG2-CB 3.58Å; F422-A465 PolarHBondContact O-N 2.89Å
466	E	84.1	Confident	89.8	Confident	162 Å²	162	59.5 Å²	59.5	76%	0.757	31%	0.311	S	S	*	.	S	Bend	trans	-133	142.8	179	-65	-177	178.1	0	0	108.6	E468	E466-E468 PolarHBondContact O-N 2.83Å
467	S	77.2	Confident	89.9	Confident	114 Å²	114	57.8 Å²	57.8	80%	0.797	30%	0.303	S	S	*	.			trans	-67.4	120.9	175	55.7	0	0	0	0	110
468	E	78.5	Confident	90	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	28%	0.28	S	S	.	.			trans	-74.3	164.7	173.2	-67.1	-175.5	164.9	0	0	111.6	S424 L464 E466 T470 R547	S424-E468 WeakPolarHBondContact CA-OE1 3.5Å; S424-E468 VanDerWaalsContact CB-OE1 3.27Å; S424-E468 WeakPolarHBondContact CB-OE1 3.48Å; L464-E468 HydrophobicContact CD1-CG 4.32Å; E466-E468 PolarHBondContact O-N 2.83Å; E468-T470 PolarHBondContact O-N 3.23Å; E468-R547 IonicContact OE2-CZ 2.91Å; E468-R547 VanDerWaalsContact OE2-CZ 3.27Å; E468-R547 IonicContact OE2-NH1 3.47Å; E468-R547 PolarHBondContact OE2-NH1 2.88Å; E468-R547 IonicContact OE2-NH2 2.81Å; E468-R547 PolarHBondContact OE2-NH2 2.77Å
469	N	76.4	Confident	90.1	Very high	177 Å²	177	52.6 Å²	52.6	95%	0.947	28%	0.279	S	S	*	.	S	Bend	trans	-63.3	-25.9	176.9	-72.9	-24.6	0	0	0	113.4
470	T	82.6	Confident	90.2	Very high	62 Å²	62	50.3 Å²	50.3	38%	0.38	27%	0.267	S	S	.	.	S	Bend	trans	-111.3	137.9	176.3	45.8	0	0	0	0	109.1	E468 R547	E468-T470 PolarHBondContact O-N 3.23Å; T470-R547 PolarHBondContact O-NH2 2.97Å; T470-R547 PolarHBondContact OG1-NH2 2.67Å
471	L	87.9	Confident	90.2	Very high	109 Å²	109	50.3 Å²	50.3	57%	0.571	27%	0.267	S	S	*	.			trans	-60.9	144	175.1	-60.1	172.9	0	0	0	110.4	D461 D473 R547	D461-L471 WeakPolarHBondContact OD2-CD2 3.4Å; L471-D473 PolarHBondContact O-N 2.88Å; L471-R547 PolarHBondContact O-NE 3.25Å; L471-R547 PolarHBondContact O-NH2 3.13Å
472	A	91.3	Very high	90.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.			trans	-82.4	52.5	170.2	0	0	0	0	0	110.3	F425 L460 D461 L464 Y474	F425-A472 HydrophobicContact CD2-CB 4.35Å; L460-A472 HydrophobicContact CB-CB 4.22Å; L460-A472 PolarHBondContact N-O 3.44Å; D461-A472 WeakPolarHBondContact OD1-CB 3.27Å; D461-A472 PolarHBondContact OD1-N 2.92Å; L464-A472 HydrophobicContact CD1-CB 4.02Å; A472-Y474 HydrophobicContact CB-CE2 4.2Å; A472-Y474 WeakPolarHBondContact O-CD2 3.34Å
473	D	95.1	Very high	90	Very high	56 Å²	56	42 Å²	42	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.4	171.8	-73.3	-25.1	0	0	0	109.6	N459 L471 R547 Q548	N459-D473 WeakPolarHBondContact CB-OD1 3.42Å; N459-D473 PolarHBondContact ND2-OD1 2.83Å; L471-D473 PolarHBondContact O-N 2.88Å; D473-R547 WeakPolarHBondContact O-CA 3.39Å; D473-Q548 HydrophobicContact CB-CB 4.17Å; D473-Q548 PolarHBondContact O-N 3.04Å
474	Y	96.4	Very high	89.6	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.9	-174.9	-80.9	-92.1	0	0	0	111.2	F425 P426 L429 H457 I458 L460 A472 I546 R547	F425-Y474 HydrophobicContact CB-CE2 4.21Å; F425-Y474 WeakPolarHBondContact CB-OH 3.46Å; P426-Y474 WeakPolarHBondContact O-CE1 3.36Å; P426-Y474 PolarHBondContact O-OH 3.22Å; L429-Y474 HydrophobicContact CB-CD1 4.08Å; L429-Y474 HydrophobicContact CB-CE1 3.73Å; L429-Y474 HydrophobicContact CD2-CD1 4.43Å; L429-Y474 HydrophobicContact CD2-CE1 4.32Å; H457-Y474 WeakPolarHBondContact CA-O 3.34Å; I458-Y474 PolarHBondContact N-O 2.91Å; I458-Y474 PolarHBondContact O-N 3.09Å; L460-Y474 HydrophobicContact CD1-CD2 4.12Å; L460-Y474 HydrophobicContact CD1-CE2 4.31Å; L460-Y474 HydrophobicContact CG-CD2 4.49Å; A472-Y474 HydrophobicContact CB-CE2 4.2Å; A472-Y474 WeakPolarHBondContact O-CD2 3.34Å; Y474-I546 WeakPolarHBondContact CA-O 3.31Å; Y474-I546 VanDerWaalsContact CD1-C 3.47Å; Y474-R547 HydrophobicContact CD1-CB 4.19Å; Y474-R547 HydrophobicContact CE1-CB 3.72Å; Y474-R547 HydrophobicContact CE1-CG 4.35Å; Y474-R547 HydrophobicContact CE2-CG 4.31Å
475	V	96.7	Very high	88.8	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.7	175.4	-172.6	0	0	0	0	109.5	E456 H477 Y545 I546 L551	E456-V475 CarbonylContact O-C 3.54Å; E456-V475 WeakPolarHBondContact O-CA 3.5Å; V475-H477 PolarHBondContact O-N 3.11Å; V475-Y545 CarbonylContact O-C 3.5Å; V475-Y545 VanDerWaalsContact O-CA 3.31Å; V475-Y545 WeakPolarHBondContact O-CA 3.36Å; V475-I546 PolarHBondContact N-O 2.67Å; V475-I546 PolarHBondContact O-N 3.19Å; V475-L551 HydrophobicContact CB-CD1 4.45Å; V475-L551 HydrophobicContact CG2-CD1 4.2Å
476	L	97.3	Very high	88.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121	177	-174.4	69.4	0	0	0	110.1	F454 E456 V479 W503 I520 L543 Y545	F454-L476 HydrophobicContact CD2-CD2 4.08Å; F454-L476 HydrophobicContact CE2-CD2 4.1Å; E456-L476 PolarHBondContact O-N 3.32Å; L476-V479 HydrophobicContact CD1-CG2 4.14Å; L476-V479 HydrophobicContact CD2-CG2 3.69Å; L476-V479 HydrophobicContact CG-CG2 4.14Å; L476-W503 HydrophobicContact CD2-CH2 3.9Å; L476-W503 HydrophobicContact CD2-CZ2 4.21Å; L476-W503 HydrophobicContact CG-CH2 3.91Å; L476-W503 HydrophobicContact CG-CZ2 4.43Å; L476-I520 HydrophobicContact CD2-CD1 3.72Å; L476-I520 HydrophobicContact CD2-CG1 3.81Å; L476-L543 HydrophobicContact CD1-CB 4.25Å; L476-L543 HydrophobicContact CD1-CD2 4.35Å; L476-Y545 HydrophobicContact CB-CD1 4.06Å; L476-Y545 HydrophobicContact CB-CE1 3.69Å; L476-Y545 HydrophobicContact CD1-CD1 4.27Å; L476-Y545 HydrophobicContact CD1-CD2 4.09Å; L476-Y545 HydrophobicContact CD1-CE1 3.83Å; L476-Y545 HydrophobicContact CD1-CE2 3.62Å; L476-Y545 HydrophobicContact CD1-CG 4.39Å; L476-Y545 VanDerWaalsContact CD1-CZ 3.49Å; L476-Y545 HydrophobicContact CG-CE1 4.34Å
477	H	97.1	Very high	87.2	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-43.9	-178.2	178	63.1	0	0	0	112.4	V475 I495 N496 V544 I546	V475-H477 PolarHBondContact O-N 3.11Å; H477-I495 WeakPolarHBondContact O-CA 3.22Å; H477-N496 PolarHBondContact ND1-O 2.88Å; H477-N496 PolarHBondContact O-N 3.27Å; H477-V544 HydrophobicContact CB-CG1 4.48Å; H477-V544 PolarHBondContact N-O 3.46Å; H477-I546 HydrophobicContact CB-CD1 3.68Å; H477-I546 HydrophobicContact CB-CG1 3.86Å; H477-I546 VanDerWaalsContact CG-CD1 3.47Å
478	A	97.6	Very high	86.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.8	-180	0	0	0	0	0	113.1	T258 L480 V493 F494 I495 V544	T258-A478 HydrophobicContact CG2-CB 4.01Å; A478-L480 HydrophobicContact CB-CD1 4.41Å; A478-V493 HydrophobicContact CB-CG2 4.27Å; A478-F494 CarbonylContact C-O 3.49Å; A478-F494 VanDerWaalsContact CA-O 3.25Å; A478-F494 WeakPolarHBondContact CA-O 3.41Å; A478-I495 HydrophobicContact CB-CG1 4.02Å; A478-I495 HydrophobicContact CB-CG2 4.48Å; A478-V544 HydrophobicContact CB-CB 4.01Å; A478-V544 HydrophobicContact CB-CG2 4.23Å; A478-V544 PolarHBondContact N-O 3.11Å; A478-V544 PolarHBondContact O-N 3.06Å
479	V	97.7	Very high	86.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	107.2	175.9	-175.4	0	0	0	0	107.9	F454 L476 V481 V493 F494 W503 N523 A540 L543	F454-V479 HydrophobicContact CE2-CG1 4.11Å; F454-V479 HydrophobicContact CE2-CG2 3.85Å; F454-V479 HydrophobicContact CZ-CG1 3.83Å; F454-V479 HydrophobicContact CZ-CG2 4.41Å; L476-V479 HydrophobicContact CD1-CG2 4.14Å; L476-V479 HydrophobicContact CD2-CG2 3.69Å; L476-V479 HydrophobicContact CG-CG2 4.14Å; V479-V481 HydrophobicContact CG1-CG2 3.91Å; V479-V493 WeakPolarHBondContact O-CA 3.42Å; V479-F494 HydrophobicContact CB-CB 4.33Å; V479-F494 PolarHBondContact N-O 3.07Å; V479-F494 PolarHBondContact O-N 3.22Å; V479-W503 HydrophobicContact CG2-CH2 4.38Å; V479-W503 HydrophobicContact CG2-CZ3 4.3Å; V479-N523 HydrophobicContact CG1-CB 4.49Å; V479-A540 HydrophobicContact CG1-CB 3.74Å; V479-L543 HydrophobicContact CB-CD2 4.36Å; V479-L543 HydrophobicContact CG1-CD2 3.89Å; V479-L543 HydrophobicContact CG2-CD2 4.13Å
480	L	96.8	Very high	87.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.5	174.3	-68.1	77	0	0	0	108.1	L255 T258 V323 A478 V493 A540 Y541 M542 V544	L255-L480 HydrophobicContact CD1-CD2 4.43Å; T258-L480 HydrophobicContact CG2-CD1 4.36Å; V323-L480 HydrophobicContact CG1-CD2 3.68Å; A478-L480 HydrophobicContact CB-CD1 4.41Å; L480-V493 HydrophobicContact CD1-CG2 3.94Å; L480-V493 HydrophobicContact CG-CB 4.27Å; L480-V493 HydrophobicContact CG-CG2 3.78Å; L480-A540 CarbonylContact O-C 3.54Å; L480-A540 WeakPolarHBondContact O-CA 3.48Å; L480-Y541 PolarHBondContact O-N 2.87Å; L480-M542 HydrophobicContact CB-CB 4.13Å; L480-M542 HydrophobicContact CD1-CB 4.42Å; L480-M542 HydrophobicContact CD2-CB 4.48Å; L480-M542 HydrophobicContact CD2-SD 4.17Å; L480-M542 PolarHBondContact N-O 3.3Å; L480-M542 PolarHBondContact O-N 3.47Å; L480-V544 HydrophobicContact CD1-CG2 4.22Å
481	V	94.6	Very high	87.7	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.4	-173.1	177.4	0	0	0	0	109.2	V479 Y491 V492 F494 N523 S538 N539	V479-V481 HydrophobicContact CG1-CG2 3.91Å; V481-Y491 WeakPolarHBondContact O-CA 3.47Å; V481-V492 PolarHBondContact N-O 3.48Å; V481-V492 PolarHBondContact O-N 3.15Å; V481-F494 HydrophobicContact CB-CE2 4.31Å; V481-F494 HydrophobicContact CG2-CD2 3.77Å; V481-F494 HydrophobicContact CG2-CE2 3.73Å; V481-N523 HydrophobicContact CG2-CB 4.08Å; V481-N523 VanDerWaalsContact CG2-CG 3.5Å; V481-S538 VanDerWaalsContact CG1-OG 3.3Å; V481-S538 WeakPolarHBondContact CG1-OG 3.39Å; V481-N539 WeakPolarHBondContact CA-O 3.29Å
482	H	91.4	Very high	88	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.019	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	173.6	179.3	-95.1	0	0	0	110.3	F436 K447 D485 G489 Y491 S538 N539	F436-H482 AromaticContact CZ-CE1 3.79Å; F436-H482 AromaticContact CZ-ND1 3.62Å; K447-H482 WeakPolarHBondContact CE-ND1 3.39Å; K447-H482 PolarHBondContact NZ-O 2.89Å; H482-D485 PolarHBondContact CE1-O 3.12Å; H482-G489 WeakPolarHBondContact NE2-CA 3.07Å; H482-Y491 HydrophobicContact CB-CD1 4.09Å; H482-Y491 HydrophobicContact CB-CE1 3.78Å; H482-Y491 AromaticContact CD2-CD2 3.79Å; H482-Y491 AromaticContact CD2-CE1 3.64Å; H482-Y491 AromaticContact CD2-CE2 3.39Å; H482-Y491 WeakPolarHBondContact CD2-CE2 3.44Å; H482-Y491 AromaticContact CD2-CZ 3.31Å; H482-S538 WeakPolarHBondContact O-CA 3.28Å; H482-N539 PolarHBondContact N-O 3.08Å; H482-N539 PolarHBondContact O-N 3.45Å
483	S	86.9	Confident	88.2	Confident	38 Å²	38	26.6 Å²	26.6	27%	0.266	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.5	176.6	-55.5	0	0	0	0	110.1	G489 H490 C537 S538	S483-G489 CarbonylContact O-C 3.58Å; S483-G489 WeakPolarHBondContact O-CA 3.32Å; S483-H490 PolarHBondContact N-O 3.26Å; S483-H490 PolarHBondContact O-N 3.32Å; S483-C537 WeakPolarHBondContact CA-O 3.36Å; S483-S538 WeakPolarHBondContact OG-CB 3.34Å; S483-S538 PolarHBondContact OG-OG 2.8Å
484	G	82.4	Confident	88.3	Confident	21 Å²	21	24.4 Å²	24.4	22%	0.216	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133	-165.3	-178.4	0	0	0	0	0	112.7	K447 C537	K447-G484 WeakPolarHBondContact CD-O 3.26Å; K447-G484 PolarHBondContact NZ-O 2.88Å; G484-C537 PolarHBondContact N-O 2.88Å; G484-C537 WeakPolarHBondContact O-CB 3.42Å
485	D	72.1	Confident	88.3	Confident	84 Å²	84	24.4 Å²	24.4	45%	0.449	14%	0.141	S	C	.	.			trans	-109	-166.2	180	73.8	11.9	0	0	0	111.7	H482 H487 G488	H482-D485 PolarHBondContact CE1-O 3.12Å; D485-H487 VanDerWaalsContact C-N 3.34Å; D485-H487 PolarHBondContact OD1-N 2.76Å; D485-G488 PolarHBondContact N-O 3.16Å; D485-G488 VanDerWaalsContact N-O 3.16Å; D485-G488 PolarHBondContact OD1-N 3.33Å
486	N	69.7	Low	88.2	Confident	59 Å²	59	24 Å²	24	32%	0.316	14%	0.139	S	C	.	.	S	Bend	trans	-74.2	-20.1	-178.8	-172.2	68.2	0	0	0	114.3	F436 S445	F436-N486 HydrophobicContact CD1-CB 4.3Å; F436-N486 WeakPolarHBondContact CD1-OD1 3.45Å; F436-N486 HydrophobicContact CE1-CB 4.37Å; S445-N486 VanDerWaalsContact CB-ND2 3.34Å; S445-N486 WeakPolarHBondContact CB-ND2 3.28Å; S445-N486 WeakPolarHBondContact O-CB 3.48Å; S445-N486 PolarHBondContact O-ND2 3.05Å
487	H	65.1	Low	88	Confident	156 Å²	156	24.3 Å²	24.3	72%	0.722	14%	0.141	S	C	*	.	S	Bend	trans	-99.3	-17.7	-176.2	-58.4	97.2	0	0	0	112.8	D485	D485-H487 VanDerWaalsContact C-N 3.34Å; D485-H487 PolarHBondContact OD1-N 2.76Å
488	G	66.9	Low	87.6	Confident	32 Å²	32	28.7 Å²	28.7	33%	0.33	16%	0.16	S	C	.	.	S	Bend	trans	-166.6	122.4	-178.9	0	0	0	0	0	112.1	Q320 D485	Q320-G488 VanDerWaalsContact OE1-CA 3.28Å; D485-G488 PolarHBondContact N-O 3.16Å; D485-G488 VanDerWaalsContact N-O 3.16Å; D485-G488 PolarHBondContact OD1-N 3.33Å
489	G	80.3	Confident	87.1	Confident	16 Å²	16	29.9 Å²	29.9	17%	0.165	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-176	168.3	0	0	0	0	0	115.2	Q320 H482 S483	Q320-G489 PolarHBondContact NE2-O 2.79Å; Q320-G489 VanDerWaalsContact OE1-N 3.09Å; H482-G489 WeakPolarHBondContact NE2-CA 3.07Å; S483-G489 CarbonylContact O-C 3.58Å; S483-G489 WeakPolarHBondContact O-CA 3.32Å
490	H	87.7	Confident	86.6	Confident	58 Å²	58	33.6 Å²	33.6	27%	0.269	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.7	-179.3	-175.4	51.8	0	0	0	110	S483 D507 D508	S483-H490 PolarHBondContact N-O 3.26Å; S483-H490 PolarHBondContact O-N 3.32Å; H490-D507 IonicContact CD2-OD1 2.76Å; H490-D507 IonicContact CE1-OD1 4Å; H490-D507 IonicContact NE2-OD1 3.69Å; H490-D507 PolarHBondContact NE2-OD1 3.48Å; H490-D508 IonicContact CE1-OD2 2.65Å; H490-D508 PolarHBondContact CE1-OD2 2.91Å
491	Y	90.9	Very high	86	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.9	179	-74.4	-90.2	0	0	0	110.6	C250 S254 V323 V481 H482 Y541	C250-Y491 PolarHBondContact SG-N 3.16Å; S254-Y491 PolarHBondContact OG-O 2.72Å; V323-Y491 HydrophobicContact CG2-CD1 3.68Å; V323-Y491 HydrophobicContact CG2-CE1 3.39Å; V323-Y491 HydrophobicContact CG2-CE2 4.44Å; V323-Y491 HydrophobicContact CG2-CG 4.32Å; V481-Y491 WeakPolarHBondContact O-CA 3.47Å; H482-Y491 HydrophobicContact CB-CD1 4.09Å; H482-Y491 HydrophobicContact CB-CE1 3.78Å; H482-Y491 AromaticContact CD2-CD2 3.79Å; H482-Y491 AromaticContact CD2-CE1 3.64Å; H482-Y491 AromaticContact CD2-CE2 3.39Å; H482-Y491 WeakPolarHBondContact CD2-CE2 3.44Å; H482-Y491 AromaticContact CD2-CZ 3.31Å; Y491-Y541 AromaticContact CE1-CD1 3.88Å; Y491-Y541 HydrophobicContact CE1-CD1 3.88Å; Y491-Y541 HydrophobicContact CE1-CE1 4.44Å; Y491-Y541 HydrophobicContact CE1-CG 4.43Å
492	V	93.8	Very high	85.6	Confident	8 Å²	8	42 Å²	42	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.7	174.2	178.3	0	0	0	0	107.7	V481 F494 K505 F506 D507	V481-V492 PolarHBondContact N-O 3.48Å; V481-V492 PolarHBondContact O-N 3.15Å; V492-F494 HydrophobicContact CG1-CE2 4.33Å; V492-K505 HydrophobicContact CG1-CD 4.32Å; V492-K505 HydrophobicContact CG1-CG 3.7Å; V492-F506 WeakPolarHBondContact CG1-O 3.46Å; V492-D507 HydrophobicContact CG1-CB 4.2Å; V492-D507 HydrophobicContact CG2-CB 4.37Å
493	V	96.8	Very high	85.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.9	174.1	67	0	0	0	0	112	Q257 A478 V479 L480 I495 F506	Q257-V493 HydrophobicContact CB-CG1 4.08Å; A478-V493 HydrophobicContact CB-CG2 4.27Å; V479-V493 WeakPolarHBondContact O-CA 3.42Å; L480-V493 HydrophobicContact CD1-CG2 3.94Å; L480-V493 HydrophobicContact CG-CB 4.27Å; L480-V493 HydrophobicContact CG-CG2 3.78Å; V493-I495 HydrophobicContact CB-CG1 4.46Å; V493-I495 HydrophobicContact CG1-CD1 3.87Å; V493-I495 HydrophobicContact CG1-CG1 4.13Å; V493-I495 HydrophobicContact CG2-CD1 3.97Å; V493-I495 HydrophobicContact CG2-CG1 3.63Å; V493-F506 HydrophobicContact CG1-CB 3.71Å; V493-F506 HydrophobicContact CG1-CD2 4.47Å; V493-F506 HydrophobicContact CG1-CG 4.39Å; V493-F506 PolarHBondContact N-O 3.48Å; V493-F506 PolarHBondContact O-N 3.49Å
494	F	96.6	Very high	85.8	Confident	11 Å²	11	40.9 Å²	40.9	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.3	169	-61.4	-96.2	0	0	0	108.4	A478 V479 V481 V492 W503 F504 K505 C514 E518 A519	A478-F494 CarbonylContact C-O 3.49Å; A478-F494 VanDerWaalsContact CA-O 3.25Å; A478-F494 WeakPolarHBondContact CA-O 3.41Å; V479-F494 HydrophobicContact CB-CB 4.33Å; V479-F494 PolarHBondContact N-O 3.07Å; V479-F494 PolarHBondContact O-N 3.22Å; V481-F494 HydrophobicContact CB-CE2 4.31Å; V481-F494 HydrophobicContact CG2-CD2 3.77Å; V481-F494 HydrophobicContact CG2-CE2 3.73Å; V492-F494 HydrophobicContact CG1-CE2 4.33Å; F494-W503 HydrophobicContact CB-CE3 4.1Å; F494-W503 HydrophobicContact CB-CZ3 4.34Å; F494-F504 CarbonylContact C-O 3.54Å; F494-F504 VanDerWaalsContact CA-O 3.32Å; F494-F504 WeakPolarHBondContact CA-O 3.28Å; F494-K505 HydrophobicContact CD1-CB 3.85Å; F494-K505 HydrophobicContact CD1-CG 4.13Å; F494-K505 HydrophobicContact CE1-CB 3.69Å; F494-K505 HydrophobicContact CE1-CD 3.9Å; F494-K505 HydrophobicContact CE1-CG 3.65Å; F494-K505 HydrophobicContact CZ-CB 4.47Å; F494-K505 HydrophobicContact CZ-CD 4.02Å; F494-K505 HydrophobicContact CZ-CG 3.94Å; F494-C514 HydrophobicContact CE1-CB 4.5Å; F494-E518 HydrophobicContact CE1-CG 4.18Å; F494-A519 HydrophobicContact CB-CB 3.8Å; F494-A519 HydrophobicContact CD1-CB 3.92Å; F494-A519 HydrophobicContact CG-CB 4.02Å
495	I	96.8	Very high	86.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.2	-176.5	-49.9	-179.8	0	0	0	109.2	Q257 F261 H477 A478 V493 P497 F504 F506	Q257-I495 HydrophobicContact CB-CD1 3.81Å; F261-I495 HydrophobicContact CB-CG2 4.12Å; F261-I495 HydrophobicContact CD2-CB 4.44Å; F261-I495 HydrophobicContact CD2-CD1 3.57Å; F261-I495 HydrophobicContact CD2-CG2 3.91Å; F261-I495 HydrophobicContact CE2-CD1 4.07Å; F261-I495 HydrophobicContact CG-CG2 4.14Å; H477-I495 WeakPolarHBondContact O-CA 3.22Å; A478-I495 HydrophobicContact CB-CG1 4.02Å; A478-I495 HydrophobicContact CB-CG2 4.48Å; V493-I495 HydrophobicContact CB-CG1 4.46Å; V493-I495 HydrophobicContact CG1-CD1 3.87Å; V493-I495 HydrophobicContact CG1-CG1 4.13Å; V493-I495 HydrophobicContact CG2-CD1 3.97Å; V493-I495 HydrophobicContact CG2-CG1 3.63Å; I495-P497 HydrophobicContact CG2-CG 4.2Å; I495-P497 WeakPolarHBondContact O-CD 3.36Å; I495-F504 PolarHBondContact N-O 2.82Å; I495-F504 PolarHBondContact O-N 2.8Å; I495-F506 HydrophobicContact CB-CD2 4.2Å; I495-F506 HydrophobicContact CB-CE2 3.84Å; I495-F506 HydrophobicContact CD1-CD2 4.03Å; I495-F506 HydrophobicContact CD1-CE2 4.15Å; I495-F506 HydrophobicContact CG1-CD2 3.99Å; I495-F506 HydrophobicContact CG1-CE2 4.1Å
496	N	94.7	Very high	87.3	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.199	C	C	.	.			trans	-109.8	84.1	167.2	179.6	2.4	0	0	0	108.3	H477 K498 A499 D500 G501 R502 W503	H477-N496 PolarHBondContact ND1-O 2.88Å; H477-N496 PolarHBondContact O-N 3.27Å; N496-K498 VanDerWaalsContact C-N 3.29Å; N496-K498 PolarHBondContact O-N 2.48Å; N496-K498 VanDerWaalsContact O-N 3.17Å; N496-A499 WeakPolarHBondContact ND2-CA 3.1Å; N496-A499 PolarHBondContact O-N 2.78Å; N496-A499 VanDerWaalsContact O-N 3.07Å; N496-A499 VanDerWaalsContact OD1-CA 3.31Å; N496-A499 WeakPolarHBondContact OD1-CA 3.44Å; N496-A499 PolarHBondContact OD1-N 3.29Å; N496-D500 PolarHBondContact OD1-N 3.34Å; N496-D500 VanDerWaalsContact OD1-N 3.1Å; N496-D500 PolarHBondContact OD1-OD1 3.43Å; N496-G501 PolarHBondContact ND2-N 3.39Å; N496-G501 PolarHBondContact OD1-N 3.15Å; N496-R502 PolarHBondContact OD1-O 3Å; N496-W503 HydrophobicContact CB-CD2 3.88Å; N496-W503 HydrophobicContact CB-CE3 4.02Å; N496-W503 HydrophobicContact CB-CG 4.48Å; N496-W503 HydrophobicContact CB-CH2 3.99Å; N496-W503 HydrophobicContact CB-CZ2 3.87Å; N496-W503 HydrophobicContact CB-CZ3 4.07Å
497	P	91.6	Very high	88.3	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.032	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36	-165.2	-31.4	39.3	0	0	0	115	Y240 F261 I495 F504	Y240-P497 HydrophobicContact CE2-CG 4.03Å; F261-P497 HydrophobicContact CD1-CB 3.56Å; F261-P497 HydrophobicContact CD1-CG 3.95Å; F261-P497 HydrophobicContact CE1-CB 3.77Å; F261-P497 HydrophobicContact CE1-CG 3.83Å; F261-P497 HydrophobicContact CG-CB 4.19Å; F261-P497 HydrophobicContact CG-CG 4.35Å; F261-P497 HydrophobicContact CZ-CG 4.15Å; I495-P497 HydrophobicContact CG2-CG 4.2Å; I495-P497 WeakPolarHBondContact O-CD 3.36Å; P497-F504 HydrophobicContact CG-CD2 4.16Å
498	K	88.7	Confident	89.6	Confident	94 Å²	94	29.2 Å²	29.2	41%	0.409	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	3.9	-178.2	-63.3	-163.2	174.1	-141.4	0	113.3	N496 D500 D557	N496-K498 VanDerWaalsContact C-N 3.29Å; N496-K498 PolarHBondContact O-N 2.48Å; N496-K498 VanDerWaalsContact O-N 3.17Å; K498-D500 HydrophobicContact CB-CB 4.3Å; K498-D500 PolarHBondContact O-N 3.46Å; K498-D500 VanDerWaalsContact O-N 3.14Å; K498-D557 IonicContact NZ-OD1 3.38Å; K498-D557 PolarHBondContact NZ-OD1 3.16Å; K498-D557 IonicContact NZ-OD2 3.19Å
499	A	88.9	Confident	90.6	Very high	26 Å²	26	30.5 Å²	30.5	22%	0.215	16%	0.159	C	C	.	.	S	Bend	trans	51.1	29.9	-169.8	0	0	0	0	0	113.9	N496 L551 L555	N496-A499 WeakPolarHBondContact ND2-CA 3.1Å; N496-A499 PolarHBondContact O-N 2.78Å; N496-A499 VanDerWaalsContact O-N 3.07Å; N496-A499 VanDerWaalsContact OD1-CA 3.31Å; N496-A499 WeakPolarHBondContact OD1-CA 3.44Å; N496-A499 PolarHBondContact OD1-N 3.29Å; A499-L551 HydrophobicContact CB-CD1 3.79Å; A499-L551 HydrophobicContact CB-CD2 4.14Å; A499-L551 HydrophobicContact CB-CG 4.27Å; A499-L555 HydrophobicContact CB-CD1 3.74Å
500	D	86.3	Confident	90.9	Very high	78 Å²	78	30 Å²	30	42%	0.417	15%	0.152	S	C	.	.	S	Bend	trans	-95.2	-0.6	-177	66.9	0.7	0	0	0	113.2	N496 K498 R502	N496-D500 PolarHBondContact OD1-N 3.34Å; N496-D500 VanDerWaalsContact OD1-N 3.1Å; N496-D500 PolarHBondContact OD1-OD1 3.43Å; K498-D500 HydrophobicContact CB-CB 4.3Å; K498-D500 PolarHBondContact O-N 3.46Å; K498-D500 VanDerWaalsContact O-N 3.14Å; D500-R502 VanDerWaalsContact OD1-CB 3.32Å; D500-R502 WeakPolarHBondContact OD1-CB 3.19Å; D500-R502 PolarHBondContact OD1-N 3.05Å; D500-R502 IonicContact OD1-NE 2.55Å; D500-R502 IonicContact OD2-CZ 3.55Å; D500-R502 IonicContact OD2-NE 3.5Å; D500-R502 PolarHBondContact OD2-NE 3.36Å; D500-R502 IonicContact OD2-NH2 3.47Å; D500-R502 PolarHBondContact OD2-NH2 3.48Å
501	G	83.8	Confident	90.9	Very high	37 Å²	37	27.2 Å²	27.2	38%	0.381	14%	0.14	S	C	.	.	S	Bend	trans	94.8	-0.5	178.9	0	0	0	0	0	113.3	N496 W503	N496-G501 PolarHBondContact ND2-N 3.39Å; N496-G501 PolarHBondContact OD1-N 3.15Å; G501-W503 VanDerWaalsContact O-CD1 3.31Å
502	R	86.8	Confident	90.6	Very high	141 Å²	141	27 Å²	27	53%	0.532	14%	0.14	S	C	.	.			trans	-88.5	109.1	174.1	-63.4	-174.7	-67.2	167.6	-3.8	110.4	N496 D500 F504	N496-R502 PolarHBondContact OD1-O 3Å; D500-R502 VanDerWaalsContact OD1-CB 3.32Å; D500-R502 WeakPolarHBondContact OD1-CB 3.19Å; D500-R502 PolarHBondContact OD1-N 3.05Å; D500-R502 IonicContact OD1-NE 2.55Å; D500-R502 IonicContact OD2-CZ 3.55Å; D500-R502 IonicContact OD2-NE 3.5Å; D500-R502 PolarHBondContact OD2-NE 3.36Å; D500-R502 IonicContact OD2-NH2 3.47Å; D500-R502 PolarHBondContact OD2-NH2 3.48Å; R502-F504 HydrophobicContact CB-CE2 4.02Å; R502-F504 HydrophobicContact CB-CZ 4.44Å; R502-F504 WeakPolarHBondContact O-CD2 3.47Å; R502-F504 WeakPolarHBondContact O-CE2 3.39Å
503	W	90.6	Very high	90.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142.5	-178.4	-71.1	86.1	0	0	0	112.1	L476 V479 F494 N496 G501 C514 A519 I520	L476-W503 HydrophobicContact CD2-CH2 3.9Å; L476-W503 HydrophobicContact CD2-CZ2 4.21Å; L476-W503 HydrophobicContact CG-CH2 3.91Å; L476-W503 HydrophobicContact CG-CZ2 4.43Å; V479-W503 HydrophobicContact CG2-CH2 4.38Å; V479-W503 HydrophobicContact CG2-CZ3 4.3Å; F494-W503 HydrophobicContact CB-CE3 4.1Å; F494-W503 HydrophobicContact CB-CZ3 4.34Å; N496-W503 HydrophobicContact CB-CD2 3.88Å; N496-W503 HydrophobicContact CB-CE3 4.02Å; N496-W503 HydrophobicContact CB-CG 4.48Å; N496-W503 HydrophobicContact CB-CH2 3.99Å; N496-W503 HydrophobicContact CB-CZ2 3.87Å; N496-W503 HydrophobicContact CB-CZ3 4.07Å; G501-W503 VanDerWaalsContact O-CD1 3.31Å; W503-C514 VanDerWaalsContact CB-SG 3.52Å; W503-C514 PolarHBondContact O-N 3.12Å; W503-C514 PolarHBondContact O-SG 3.37Å; W503-A519 HydrophobicContact CB-CB 4.18Å; W503-A519 HydrophobicContact CD2-CB 3.62Å; W503-A519 HydrophobicContact CE3-CB 3.53Å; W503-A519 HydrophobicContact CG-CB 3.93Å; W503-A519 HydrophobicContact CZ3-CB 4.19Å; W503-I520 HydrophobicContact CZ2-CD1 4.23Å
504	F	91.1	Very high	89.4	Confident	17 Å²	17	30.1 Å²	30.1	8%	0.075	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.1	175.9	-60.1	-91.2	0	0	0	109.7	T238 Y240 F494 I495 P497 R502 F506 V511 S512	T238-F504 HydrophobicContact CG2-CD1 4.11Å; T238-F504 HydrophobicContact CG2-CE1 4.33Å; Y240-F504 HydrophobicContact CD2-CD1 4.39Å; Y240-F504 HydrophobicContact CD2-CE1 4.49Å; Y240-F504 HydrophobicContact CD2-CG 4.4Å; Y240-F504 HydrophobicContact CE2-CD2 4.07Å; Y240-F504 HydrophobicContact CE2-CE1 4.33Å; Y240-F504 AromaticContact CE2-CE2 3.89Å; Y240-F504 HydrophobicContact CE2-CE2 3.89Å; Y240-F504 HydrophobicContact CE2-CG 4.37Å; Y240-F504 HydrophobicContact CE2-CZ 4.02Å; F494-F504 CarbonylContact C-O 3.54Å; F494-F504 VanDerWaalsContact CA-O 3.32Å; F494-F504 WeakPolarHBondContact CA-O 3.28Å; I495-F504 PolarHBondContact N-O 2.82Å; I495-F504 PolarHBondContact O-N 2.8Å; P497-F504 HydrophobicContact CG-CD2 4.16Å; R502-F504 HydrophobicContact CB-CE2 4.02Å; R502-F504 HydrophobicContact CB-CZ 4.44Å; R502-F504 WeakPolarHBondContact O-CD2 3.47Å; R502-F504 WeakPolarHBondContact O-CE2 3.39Å; F504-F506 HydrophobicContact CB-CD2 4.32Å; F504-F506 HydrophobicContact CB-CE2 3.6Å; F504-F506 HydrophobicContact CB-CZ 4.1Å; F504-V511 HydrophobicContact CB-CG1 4.41Å; F504-S512 CarbonylContact C-O 3.53Å; F504-S512 VanDerWaalsContact CA-O 3.27Å; F504-S512 WeakPolarHBondContact CA-O 3.3Å
505	K	92.1	Very high	88.7	Confident	34 Å²	34	36.7 Å²	36.7	15%	0.148	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.5	172.9	-178.3	-173.9	176.5	-169.4	0	108.4	V492 F494 D507 V511 S512 C514	V492-K505 HydrophobicContact CG1-CD 4.32Å; V492-K505 HydrophobicContact CG1-CG 3.7Å; F494-K505 HydrophobicContact CD1-CB 3.85Å; F494-K505 HydrophobicContact CD1-CG 4.13Å; F494-K505 HydrophobicContact CE1-CB 3.69Å; F494-K505 HydrophobicContact CE1-CD 3.9Å; F494-K505 HydrophobicContact CE1-CG 3.65Å; F494-K505 HydrophobicContact CZ-CB 4.47Å; F494-K505 HydrophobicContact CZ-CD 4.02Å; F494-K505 HydrophobicContact CZ-CG 3.94Å; K505-D507 IonicContact NZ-OD2 3.82Å; K505-V511 WeakPolarHBondContact O-CA 3.47Å; K505-S512 PolarHBondContact N-O 3.05Å; K505-S512 PolarHBondContact O-N 3.48Å; K505-C514 HydrophobicContact CB-CB 4.42Å
506	F	94.2	Very high	88.2	Confident	4 Å²	4	41 Å²	41	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.1	174.8	-63.7	-100.1	0	0	0	108.4	Y240 Q257 F261 V492 V493 I495 F504 V511	Y240-F506 HydrophobicContact CD2-CZ 4.27Å; Y240-F506 HydrophobicContact CG-CE1 4.46Å; Y240-F506 HydrophobicContact CG-CZ 4.28Å; Q257-F506 HydrophobicContact CG-CB 4.28Å; Q257-F506 HydrophobicContact CG-CD1 4.03Å; Q257-F506 HydrophobicContact CG-CG 4.32Å; F261-F506 HydrophobicContact CD2-CZ 4.38Å; F261-F506 HydrophobicContact CE2-CD1 4.44Å; F261-F506 AromaticContact CE2-CE1 3.58Å; F261-F506 HydrophobicContact CE2-CE1 3.58Å; F261-F506 AromaticContact CE2-CE2 3.92Å; F261-F506 HydrophobicContact CE2-CE2 3.92Å; F261-F506 AromaticContact CE2-CZ 3.28Å; F261-F506 HydrophobicContact CE2-CZ 3.28Å; F261-F506 AromaticContact CZ-CE1 3.8Å; F261-F506 HydrophobicContact CZ-CE1 3.8Å; F261-F506 HydrophobicContact CZ-CE2 4.43Å; F261-F506 AromaticContact CZ-CZ 3.47Å; F261-F506 HydrophobicContact CZ-CZ 3.47Å; F261-F506 VanDerWaalsContact CZ-CZ 3.47Å; V492-F506 WeakPolarHBondContact CG1-O 3.46Å; V493-F506 HydrophobicContact CG1-CB 3.71Å; V493-F506 HydrophobicContact CG1-CD2 4.47Å; V493-F506 HydrophobicContact CG1-CG 4.39Å; V493-F506 PolarHBondContact N-O 3.48Å; V493-F506 PolarHBondContact O-N 3.49Å; I495-F506 HydrophobicContact CB-CD2 4.2Å; I495-F506 HydrophobicContact CB-CE2 3.84Å; I495-F506 HydrophobicContact CD1-CD2 4.03Å; I495-F506 HydrophobicContact CD1-CE2 4.15Å; I495-F506 HydrophobicContact CG1-CD2 3.99Å; I495-F506 HydrophobicContact CG1-CE2 4.1Å; F504-F506 HydrophobicContact CB-CD2 4.32Å; F504-F506 HydrophobicContact CB-CE2 3.6Å; F504-F506 HydrophobicContact CB-CZ 4.1Å; F506-V511 HydrophobicContact CD1-CB 4.31Å; F506-V511 HydrophobicContact CD1-CG1 3.75Å; F506-V511 HydrophobicContact CD1-CG2 3.58Å; F506-V511 HydrophobicContact CE1-CB 4.42Å; F506-V511 HydrophobicContact CE1-CG1 3.59Å; F506-V511 HydrophobicContact CE1-CG2 3.88Å; F506-V511 HydrophobicContact CE2-CG1 4.36Å; F506-V511 HydrophobicContact CG-CG1 4.2Å; F506-V511 HydrophobicContact CG-CG2 4.43Å; F506-V511 HydrophobicContact CZ-CG1 3.9Å
507	D	91.4	Very high	87.7	Confident	21 Å²	21	45.7 Å²	45.7	11%	0.112	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	87.5	-178.9	-162.8	-13.5	0	0	0	107.8	H490 V492 K505 D509 V510	H490-D507 IonicContact CD2-OD1 2.76Å; H490-D507 IonicContact CE1-OD1 4Å; H490-D507 IonicContact NE2-OD1 3.69Å; H490-D507 PolarHBondContact NE2-OD1 3.48Å; V492-D507 HydrophobicContact CG1-CB 4.2Å; V492-D507 HydrophobicContact CG2-CB 4.37Å; K505-D507 IonicContact NZ-OD2 3.82Å; D507-D509 PolarHBondContact O-N 3.11Å; D507-V510 CarbonylContact C-O 3.52Å; D507-V510 PolarHBondContact N-O 2.91Å; D507-V510 PolarHBondContact O-N 2.83Å
508	D	92.7	Very high	87.4	Confident	15 Å²	15	47.9 Å²	47.9	8%	0.08	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	-109.8	-172.2	-69.5	-33.9	0	0	0	113.1	G242 L243 N245 N253 H490 V510	G242-D508 CarbonylContact C-O 3.59Å; G242-D508 WeakPolarHBondContact CA-O 3.26Å; L243-D508 PolarHBondContact N-O 3.11Å; L243-D508 CarbonylContact O-C 3.51Å; L243-D508 WeakPolarHBondContact O-CA 3.11Å; N245-D508 HydrophobicContact CB-CB 4.16Å; N245-D508 VanDerWaalsContact CB-OD2 3.32Å; N245-D508 WeakPolarHBondContact CB-OD2 3.49Å; N245-D508 PolarHBondContact ND2-OD2 3.41Å; N253-D508 PolarHBondContact ND2-OD1 3.32Å; H490-D508 IonicContact CE1-OD2 2.65Å; H490-D508 PolarHBondContact CE1-OD2 2.91Å; D508-V510 VanDerWaalsContact C-N 3.31Å
509	D	87.5	Confident	87.4	Confident	59 Å²	59	43.4 Å²	43.4	32%	0.316	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.3	-174.6	64.1	-42.5	0	0	0	113.6	H228 L243 P300 D507	H228-D509 IonicContact CD2-OD1 2.82Å; L243-D509 PolarHBondContact O-N 2.83Å; L243-D509 VanDerWaalsContact O-N 3.12Å; P300-D509 HydrophobicContact CB-CB 3.66Å; P300-D509 HydrophobicContact CG-CB 3.76Å; D507-D509 PolarHBondContact O-N 3.11Å
510	V	85.6	Confident	87.6	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.9	-177.5	-179.6	0	0	0	0	110.5	A226 D507 D508	A226-V510 HydrophobicContact CB-CG1 3.57Å; D507-V510 CarbonylContact C-O 3.52Å; D507-V510 PolarHBondContact N-O 2.91Å; D507-V510 PolarHBondContact O-N 2.83Å; D508-V510 VanDerWaalsContact C-N 3.31Å
511	V	88.2	Confident	87.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.8	171.4	-168.8	0	0	0	0	109.1	W232 S234 T238 F504 K505 F506	W232-V511 PolarHBondContact NE1-O 2.79Å; W232-V511 VanDerWaalsContact NE1-O 3.09Å; S234-V511 PolarHBondContact OG-N 3.34Å; T238-V511 HydrophobicContact CG2-CB 4.47Å; T238-V511 HydrophobicContact CG2-CG1 4.18Å; F504-V511 HydrophobicContact CB-CG1 4.41Å; K505-V511 WeakPolarHBondContact O-CA 3.47Å; F506-V511 HydrophobicContact CD1-CB 4.31Å; F506-V511 HydrophobicContact CD1-CG1 3.75Å; F506-V511 HydrophobicContact CD1-CG2 3.58Å; F506-V511 HydrophobicContact CE1-CB 4.42Å; F506-V511 HydrophobicContact CE1-CG1 3.59Å; F506-V511 HydrophobicContact CE1-CG2 3.88Å; F506-V511 HydrophobicContact CE2-CG1 4.36Å; F506-V511 HydrophobicContact CG-CG1 4.2Å; F506-V511 HydrophobicContact CG-CG2 4.43Å; F506-V511 HydrophobicContact CZ-CG1 3.9Å
512	S	84.8	Confident	88	Confident	8 Å²	8	46.3 Å²	46.3	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.2	179.1	62.1	0	0	0	0	111.6	F504 K505	F504-S512 CarbonylContact C-O 3.53Å; F504-S512 VanDerWaalsContact CA-O 3.27Å; F504-S512 WeakPolarHBondContact CA-O 3.3Å; K505-S512 PolarHBondContact N-O 3.05Å; K505-S512 PolarHBondContact O-N 3.48Å
513	S	82.9	Confident	88.3	Confident	61 Å²	61	40.1 Å²	40.1	43%	0.427	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.3	169.6	-177.5	0	0	0	0	110
514	C	82	Confident	88.4	Confident	13 Å²	13	41.1 Å²	41.1	9%	0.088	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.7	-177.7	62	0	0	0	0	110.9	F494 W503 K505 E518	F494-C514 HydrophobicContact CE1-CB 4.5Å; W503-C514 VanDerWaalsContact CB-SG 3.52Å; W503-C514 PolarHBondContact O-N 3.12Å; W503-C514 PolarHBondContact O-SG 3.37Å; K505-C514 HydrophobicContact CB-CB 4.42Å; C514-E518 HydrophobicContact CB-CB 4.42Å; C514-E518 HydrophobicContact CB-CG 4.45Å; C514-E518 VanDerWaalsContact CB-OE2 3.27Å; C514-E518 WeakPolarHBondContact CB-OE2 3.4Å
515	R	82	Confident	88.1	Confident	148 Å²	148	40.8 Å²	40.8	56%	0.558	20%	0.197	S	C	*	.			trans	-81.2	152.1	176.7	-66	-178.6	179.6	163.1	4.8	109.9	E101 Q517 E518 A519	E101-R515 IonicContact OE1-CZ 3.95Å; E101-R515 IonicContact OE1-NH1 3.84Å; E101-R515 IonicContact OE1-NH2 2.67Å; E101-R515 PolarHBondContact OE1-NH2 3.12Å; R515-Q517 PolarHBondContact O-N 2.95Å; R515-E518 WeakPolarHBondContact O-CA 3.43Å; R515-E518 VanDerWaalsContact O-CB 3.29Å; R515-E518 WeakPolarHBondContact O-CB 3.46Å; R515-E518 PolarHBondContact O-N 3.38Å; R515-A519 PolarHBondContact O-N 3.47Å; R515-A519 VanDerWaalsContact O-N 3.16Å
516	K	85.9	Confident	87.4	Confident	91 Å²	91	41.3 Å²	41.3	40%	0.396	21%	0.212	S	C	.	.	H	α-helix	trans	-52.5	-39.4	173.8	179.6	-179.9	169.5	-175	0	113	E456 E518 A519 I520	E456-K516 WeakPolarHBondContact OE1-CE 3.24Å; E456-K516 IonicContact OE1-NZ 2.73Å; E456-K516 PolarHBondContact OE1-NZ 3.34Å; E456-K516 WeakPolarHBondContact OE2-CE 3.26Å; E456-K516 IonicContact OE2-NZ 3.52Å; E456-K516 PolarHBondContact OE2-NZ 3.42Å; K516-E518 VanDerWaalsContact C-N 3.27Å; K516-E518 PolarHBondContact O-N 3.32Å; K516-A519 PolarHBondContact O-N 3.43Å; K516-I520 HydrophobicContact CD-CD1 4.41Å; K516-I520 HydrophobicContact CG-CD1 3.8Å; K516-I520 HydrophobicContact CG-CG1 4.42Å; K516-I520 PolarHBondContact O-N 2.91Å
517	Q	85.6	Confident	85.8	Confident	100 Å²	100	45.8 Å²	45.8	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-35.8	176.9	-177	167.3	40.5	0	0	112.7	R515 E521 Q522	R515-Q517 PolarHBondContact O-N 2.95Å; Q517-E521 HydrophobicContact CG-CB 4.05Å; Q517-E521 HydrophobicContact CG-CG 4.34Å; Q517-E521 WeakPolarHBondContact CG-OE2 3.14Å; Q517-E521 PolarHBondContact NE2-OE2 2.84Å; Q517-E521 PolarHBondContact O-N 3.26Å; Q517-E521 VanDerWaalsContact O-N 3.08Å; Q517-Q522 PolarHBondContact O-N 2.77Å
518	E	85	Confident	83.6	Confident	50 Å²	50	51.9 Å²	51.9	23%	0.234	27%	0.267	C	S	.	.	H	α-helix	trans	-71.9	-39.5	176.7	-169.1	-174.4	157.5	0	0	111.5	F494 C514 R515 K516 N523	F494-E518 HydrophobicContact CE1-CG 4.18Å; C514-E518 HydrophobicContact CB-CB 4.42Å; C514-E518 HydrophobicContact CB-CG 4.45Å; C514-E518 VanDerWaalsContact CB-OE2 3.27Å; C514-E518 WeakPolarHBondContact CB-OE2 3.4Å; R515-E518 WeakPolarHBondContact O-CA 3.43Å; R515-E518 VanDerWaalsContact O-CB 3.29Å; R515-E518 WeakPolarHBondContact O-CB 3.46Å; R515-E518 PolarHBondContact O-N 3.38Å; K516-E518 VanDerWaalsContact C-N 3.27Å; K516-E518 PolarHBondContact O-N 3.32Å; E518-N523 PolarHBondContact O-ND2 2.93Å
519	A	89.1	Confident	81.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-71.8	-33.1	178.7	0	0	0	0	0	113.5	F494 W503 R515 K516 N523	F494-A519 HydrophobicContact CB-CB 3.8Å; F494-A519 HydrophobicContact CD1-CB 3.92Å; F494-A519 HydrophobicContact CG-CB 4.02Å; W503-A519 HydrophobicContact CB-CB 4.18Å; W503-A519 HydrophobicContact CD2-CB 3.62Å; W503-A519 HydrophobicContact CE3-CB 3.53Å; W503-A519 HydrophobicContact CG-CB 3.93Å; W503-A519 HydrophobicContact CZ3-CB 4.19Å; R515-A519 PolarHBondContact O-N 3.47Å; R515-A519 VanDerWaalsContact O-N 3.16Å; K516-A519 PolarHBondContact O-N 3.43Å; A519-N523 VanDerWaalsContact C-ND2 3.35Å; A519-N523 PolarHBondContact O-ND2 2.96Å
520	I	92.8	Very high	79.2	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-70.8	-171.9	-56.6	179.8	0	0	0	111.5	F454 E456 L476 W503 K516 Q522 N523 Y524	F454-I520 HydrophobicContact CD2-CG2 3.99Å; F454-I520 HydrophobicContact CE2-CB 4.19Å; F454-I520 HydrophobicContact CE2-CG1 4.39Å; F454-I520 HydrophobicContact CE2-CG2 3.69Å; F454-I520 HydrophobicContact CZ-CG2 4.35Å; F454-I520 WeakPolarHBondContact CZ-O 3.36Å; E456-I520 HydrophobicContact CB-CD1 4.14Å; L476-I520 HydrophobicContact CD2-CD1 3.72Å; L476-I520 HydrophobicContact CD2-CG1 3.81Å; W503-I520 HydrophobicContact CZ2-CD1 4.23Å; K516-I520 HydrophobicContact CD-CD1 4.41Å; K516-I520 HydrophobicContact CG-CD1 3.8Å; K516-I520 HydrophobicContact CG-CG1 4.42Å; K516-I520 PolarHBondContact O-N 2.91Å; I520-Q522 PolarHBondContact O-N 3.5Å; I520-N523 PolarHBondContact O-N 3.36Å; I520-N523 VanDerWaalsContact O-N 3.08Å; I520-Y524 HydrophobicContact CG2-CE1 3.79Å; I520-Y524 WeakPolarHBondContact O-CD1 3.31Å
521	E	90.2	Very high	77.2	Confident	94 Å²	94	70.2 Å²	70.2	44%	0.439	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-66.2	-38.6	-167.3	-62.6	173.5	-153	0	0	113.2	Q517 N523 Y524	Q517-E521 HydrophobicContact CG-CB 4.05Å; Q517-E521 HydrophobicContact CG-CG 4.34Å; Q517-E521 WeakPolarHBondContact CG-OE2 3.14Å; Q517-E521 PolarHBondContact NE2-OE2 2.84Å; Q517-E521 PolarHBondContact O-N 3.26Å; Q517-E521 VanDerWaalsContact O-N 3.08Å; E521-N523 PolarHBondContact O-N 2.88Å; E521-Y524 HydrophobicContact CB-CE2 4.23Å; E521-Y524 HydrophobicContact CG-CE2 4.23Å; E521-Y524 WeakPolarHBondContact O-CD2 3.48Å; E521-Y524 PolarHBondContact O-N 3.5Å
522	Q	87.6	Confident	75	Confident	103 Å²	103	71.4 Å²	71.4	48%	0.481	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-69	-14	178.2	-67	-177.3	12.3	0	0	112.9	Q517 I520	Q517-Q522 PolarHBondContact O-N 2.77Å; I520-Q522 PolarHBondContact O-N 3.5Å
523	N	92.8	Very high	72.9	Confident	10 Å²	10	80.4 Å²	80.4	5%	0.053	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-101.6	9.5	-177.8	-64.8	-44.7	0	0	0	113.6	F454 V479 V481 E518 A519 I520 E521 G525 N539 A540	F454-N523 HydrophobicContact CZ-CB 4.17Å; V479-N523 HydrophobicContact CG1-CB 4.49Å; V481-N523 HydrophobicContact CG2-CB 4.08Å; V481-N523 VanDerWaalsContact CG2-CG 3.5Å; E518-N523 PolarHBondContact O-ND2 2.93Å; A519-N523 VanDerWaalsContact C-ND2 3.35Å; A519-N523 PolarHBondContact O-ND2 2.96Å; I520-N523 PolarHBondContact O-N 3.36Å; I520-N523 VanDerWaalsContact O-N 3.08Å; E521-N523 PolarHBondContact O-N 2.88Å; N523-G525 VanDerWaalsContact C-N 3.35Å; N523-N539 WeakPolarHBondContact O-CA 3.26Å; N523-A540 HydrophobicContact CB-CB 4.3Å; N523-A540 PolarHBondContact O-N 3.29Å
524	Y	92.2	Very high	71	Confident	24 Å²	24	85.1 Å²	85.1	9%	0.094	42%	0.419	C	S	.	.	S	Bend	trans	-68.5	-30	175.7	-66.5	-20.2	0	0	0	113.5	R435 R451 F452 E453 F454 I520 E521	R435-Y524 PolarHBondContact NH2-O 3.23Å; R451-Y524 WeakPolarHBondContact CA-O 3.35Å; F452-Y524 PolarHBondContact N-O 2.86Å; F452-Y524 WeakPolarHBondContact O-CA 3.42Å; F452-Y524 WeakPolarHBondContact O-CB 3.45Å; F452-Y524 VanDerWaalsContact O-CD1 3.28Å; F452-Y524 WeakPolarHBondContact O-CD1 3.3Å; E453-Y524 HydrophobicContact CB-CD2 4.49Å; E453-Y524 HydrophobicContact CB-CE1 4.43Å; E453-Y524 HydrophobicContact CB-CE2 4.26Å; E453-Y524 HydrophobicContact CG-CD2 3.9Å; E453-Y524 HydrophobicContact CG-CE2 3.92Å; E453-Y524 HydrophobicContact CG-CG 4.34Å; F454-Y524 AromaticContact CD1-CD1 3.73Å; F454-Y524 HydrophobicContact CD1-CD1 3.73Å; F454-Y524 AromaticContact CD1-CE1 3.77Å; F454-Y524 HydrophobicContact CD1-CE1 3.77Å; F454-Y524 HydrophobicContact CD2-CE1 4.33Å; F454-Y524 AromaticContact CE1-CD1 3.54Å; F454-Y524 HydrophobicContact CE1-CD1 3.54Å; F454-Y524 AromaticContact CE1-CE1 3.82Å; F454-Y524 HydrophobicContact CE1-CE1 3.82Å; F454-Y524 HydrophobicContact CE2-CE1 4.37Å; F454-Y524 HydrophobicContact CG-CD1 4.45Å; F454-Y524 HydrophobicContact CG-CE1 4.03Å; F454-Y524 HydrophobicContact CZ-CD1 4.12Å; F454-Y524 HydrophobicContact CZ-CE1 4.11Å; F454-Y524 VanDerWaalsContact N-CE1 3.32Å; F454-Y524 VanDerWaalsContact O-CE1 3.26Å; F454-Y524 WeakPolarHBondContact O-CE1 3.34Å; F454-Y524 PolarHBondContact O-OH 2.98Å; I520-Y524 HydrophobicContact CG2-CE1 3.79Å; I520-Y524 WeakPolarHBondContact O-CD1 3.31Å; E521-Y524 HydrophobicContact CB-CE2 4.23Å; E521-Y524 HydrophobicContact CG-CE2 4.23Å; E521-Y524 WeakPolarHBondContact O-CD2 3.48Å; E521-Y524 PolarHBondContact O-N 3.5Å
525	G	86	Confident	69.4	Low	10 Å²	10	86.4 Å²	86.4	10%	0.103	43%	0.43	C	S	.	.			trans	88.2	-177.6	-172.1	0	0	0	0	0	113.5	N449 R451 N523 M527	N449-G525 CarbonylContact O-C 3.5Å; R451-G525 WeakPolarHBondContact CB-O 3.45Å; R451-G525 WeakPolarHBondContact CG-O 3.48Å; N523-G525 VanDerWaalsContact C-N 3.35Å; G525-M527 PolarHBondContact O-N 3.42Å
526	G	76.2	Confident	68.1	Low	44 Å²	44	83.4 Å²	83.4	45%	0.454	42%	0.421	S	S	.	.			trans	66.8	25.7	175.9	0	0	0	0	0	116.1	N449 D528	N449-G526 PolarHBondContact O-N 2.92Å; G526-D528 PolarHBondContact O-N 3.45Å
527	M	61.6	Low	67.2	Low	99 Å²	99	81 Å²	81	49%	0.488	42%	0.415	S	S	.	.			trans	-76.2	112.8	172.9	-73.4	-173.1	176.3	0	0	110.7	G525 D529	G525-M527 PolarHBondContact O-N 3.42Å; M527-D529 PolarHBondContact O-N 3.42Å
528	D	45.3	Very low	67.1	Low	149 Å²	149	77.5 Å²	77.5	80%	0.797	40%	0.402	S	S	*	.			trans	-96.1	28.4	-174.5	-135.2	8.8	0	0	0	112.9	G526 E530	G526-D528 PolarHBondContact O-N 3.45Å; D528-E530 PolarHBondContact O-N 2.67Å
529	D	46.6	Very low	67.4	Low	129 Å²	129	75.2 Å²	75.2	69%	0.69	39%	0.391	S	S	*	.			trans	-76	111.3	173.2	-80.1	-17.1	0	0	0	108.8	M527 I531 S532	M527-D529 PolarHBondContact O-N 3.42Å; D529-I531 PolarHBondContact O-N 3.33Å; D529-S532 PolarHBondContact O-N 2.94Å
530	E	41.7	Very low	67.7	Low	180 Å²	180	75.2 Å²	75.2	84%	0.841	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-6.7	-173.8	-71.8	-173	148.2	0	0	115.6	D528	D528-E530 PolarHBondContact O-N 2.67Å
531	I	42.3	Very low	67.7	Low	155 Å²	155	75.1 Å²	75.1	80%	0.795	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-8.7	-165.6	-57.6	170.5	0	0	0	113.7	D529	D529-I531 PolarHBondContact O-N 3.33Å
532	S	42.8	Very low	68	Low	26 Å²	26	70.7 Å²	70.7	18%	0.182	37%	0.37	C	S	.	.			trans	-112.7	112.2	-173.6	-169	0	0	0	0	114	D529 A535 K536	D529-S532 PolarHBondContact O-N 2.94Å; S532-A535 WeakPolarHBondContact OG-CB 3.43Å; S532-A535 PolarHBondContact OG-N 2.96Å; S532-K536 VanDerWaalsContact O-CD 3.27Å; S532-K536 WeakPolarHBondContact O-CD 3.37Å; S532-K536 WeakPolarHBondContact O-CE 3.31Å; S532-K536 VanDerWaalsContact O-CG 3.22Å; S532-K536 WeakPolarHBondContact O-CG 3.38Å
533	F	41.2	Very low	68.5	Low	196 Å²	196	65.8 Å²	65.8	86%	0.86	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.4	171.6	-95.8	-93.2	0	0	0	113.7
534	H	42.5	Very low	68.7	Low	161 Å²	161	65.3 Å²	65.3	75%	0.745	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-27.4	-179.2	-75.6	-71.7	0	0	0	114.9
535	A	47.4	Very low	69	Low	40 Å²	40	64.2 Å²	64.2	33%	0.331	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-80.1	-19.1	178.1	0	0	0	0	0	113.2	S532 C537	S532-A535 WeakPolarHBondContact OG-CB 3.43Å; S532-A535 PolarHBondContact OG-N 2.96Å; A535-C537 PolarHBondContact O-N 3.49Å
536	K	55.3	Low	69.5	Low	85 Å²	85	63.8 Å²	63.8	37%	0.37	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-65.5	-20.5	-178.6	-76.6	177.5	-175.3	-171	0	113.9	S532	S532-K536 VanDerWaalsContact O-CD 3.27Å; S532-K536 WeakPolarHBondContact O-CD 3.37Å; S532-K536 WeakPolarHBondContact O-CE 3.31Å; S532-K536 VanDerWaalsContact O-CG 3.22Å; S532-K536 WeakPolarHBondContact O-CG 3.38Å
537	C	66.5	Low	70.4	Confident	39 Å²	39	62.6 Å²	62.6	26%	0.264	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-126.2	18.7	-171.8	-54.9	0	0	0	0	113.8	K447 S483 G484 A535	K447-C537 PolarHBondContact NZ-O 3.29Å; S483-C537 WeakPolarHBondContact CA-O 3.36Å; G484-C537 PolarHBondContact N-O 2.88Å; G484-C537 WeakPolarHBondContact O-CB 3.42Å; A535-C537 PolarHBondContact O-N 3.49Å
538	S	84.1	Confident	72	Confident	28 Å²	28	62.4 Å²	62.4	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.4	174.4	-164.9	0	0	0	0	110.1	V481 H482 S483	V481-S538 VanDerWaalsContact CG1-OG 3.3Å; V481-S538 WeakPolarHBondContact CG1-OG 3.39Å; H482-S538 WeakPolarHBondContact O-CA 3.28Å; S483-S538 WeakPolarHBondContact OG-CB 3.34Å; S483-S538 PolarHBondContact OG-OG 2.8Å
539	N	91.4	Very high	74.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	158.8	-179.8	39.8	48.6	0	0	0	111.5	R435 K447 N449 V481 H482 N523 Y541	R435-N539 WeakPolarHBondContact CD-OD1 3.34Å; R435-N539 PolarHBondContact NE-OD1 3.03Å; K447-N539 VanDerWaalsContact CE-OD1 3.24Å; K447-N539 WeakPolarHBondContact CE-OD1 3.41Å; K447-N539 PolarHBondContact NZ-ND2 3.47Å; K447-N539 PolarHBondContact NZ-OD1 3.38Å; N449-N539 WeakPolarHBondContact CA-ND2 3.47Å; N449-N539 PolarHBondContact OD1-ND2 3.3Å; V481-N539 WeakPolarHBondContact CA-O 3.29Å; H482-N539 PolarHBondContact N-O 3.08Å; H482-N539 PolarHBondContact O-N 3.45Å; N523-N539 WeakPolarHBondContact O-CA 3.26Å; N539-Y541 PolarHBondContact O-N 3.32Å
540	A	94.8	Very high	76.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	129.6	175.9	0	0	0	0	0	110.4	L433 R435 F454 V479 L480 N523 L543	L433-A540 HydrophobicContact CD1-CB 4.17Å; L433-A540 WeakPolarHBondContact CD1-O 3.32Å; R435-A540 VanDerWaalsContact CD-O 3.27Å; R435-A540 WeakPolarHBondContact CD-O 3.37Å; R435-A540 PolarHBondContact NE-O 3.22Å; F454-A540 HydrophobicContact CD1-CB 4.33Å; F454-A540 HydrophobicContact CE1-CB 3.44Å; F454-A540 VanDerWaalsContact CE1-CB 3.44Å; F454-A540 HydrophobicContact CZ-CB 3.74Å; V479-A540 HydrophobicContact CG1-CB 3.74Å; L480-A540 CarbonylContact O-C 3.54Å; L480-A540 WeakPolarHBondContact O-CA 3.48Å; N523-A540 HydrophobicContact CB-CB 4.3Å; N523-A540 PolarHBondContact O-N 3.29Å; A540-L543 HydrophobicContact CB-CD2 4.01Å
541	Y	93.1	Very high	78.9	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-39.9	178.9	-177.9	-119.3	0	0	0	112.1	D322 V323 H432 L433 R435 F436 L480 Y491 N539	D322-Y541 VanDerWaalsContact CG-OH 3.3Å; D322-Y541 PolarHBondContact OD1-OH 2.76Å; D322-Y541 PolarHBondContact OD2-OH 3Å; V323-Y541 HydrophobicContact CB-CD1 4.4Å; V323-Y541 HydrophobicContact CB-CE1 4.21Å; V323-Y541 HydrophobicContact CG2-CD1 4.49Å; H432-Y541 AromaticContact CD2-CE2 3.9Å; H432-Y541 AromaticContact CD2-CZ 3.69Å; H432-Y541 AromaticContact NE2-CE1 3.93Å; H432-Y541 AromaticContact NE2-CE2 3.44Å; H432-Y541 WeakPolarHBondContact NE2-CE2 3.32Å; H432-Y541 AromaticContact NE2-CZ 3.14Å; H432-Y541 PolarHBondContact NE2-OH 3.32Å; L433-Y541 WeakPolarHBondContact CB-O 3.35Å; L433-Y541 PolarHBondContact N-O 2.66Å; R435-Y541 HydrophobicContact CB-CD2 4.36Å; F436-Y541 HydrophobicContact CD2-CD2 4.09Å; F436-Y541 AromaticContact CD2-CE2 3.42Å; F436-Y541 HydrophobicContact CD2-CE2 3.42Å; F436-Y541 VanDerWaalsContact CD2-CE2 3.42Å; F436-Y541 AromaticContact CD2-CZ 4Å; F436-Y541 AromaticContact CE2-CD2 3.76Å; F436-Y541 HydrophobicContact CE2-CD2 3.76Å; F436-Y541 AromaticContact CE2-CE2 3.5Å; F436-Y541 HydrophobicContact CE2-CE2 3.5Å; F436-Y541 VanDerWaalsContact CE2-CE2 3.5Å; L480-Y541 PolarHBondContact O-N 2.87Å; Y491-Y541 AromaticContact CE1-CD1 3.88Å; Y491-Y541 HydrophobicContact CE1-CD1 3.88Å; Y491-Y541 HydrophobicContact CE1-CE1 4.44Å; Y491-Y541 HydrophobicContact CE1-CG 4.43Å; N539-Y541 PolarHBondContact O-N 3.32Å
542	M	96.1	Very high	81.2	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.8	179.5	-177	-172	175.8	0	0	109.3	V323 L327 H430 L431 L480 V544	V323-M542 HydrophobicContact CG1-SD 4.05Å; L327-M542 HydrophobicContact CD2-CE 3.38Å; L327-M542 HydrophobicContact CD2-SD 4.44Å; H430-M542 HydrophobicContact CB-CE 3.56Å; H430-M542 VanDerWaalsContact CG-CE 3.48Å; L431-M542 CarbonylContact O-C 3.55Å; L431-M542 WeakPolarHBondContact O-CA 3.4Å; L480-M542 HydrophobicContact CB-CB 4.13Å; L480-M542 HydrophobicContact CD1-CB 4.42Å; L480-M542 HydrophobicContact CD2-CB 4.48Å; L480-M542 HydrophobicContact CD2-SD 4.17Å; L480-M542 PolarHBondContact N-O 3.3Å; L480-M542 PolarHBondContact O-N 3.47Å; M542-V544 HydrophobicContact CE-CG2 4.44Å
543	L	97.8	Very high	83.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141	179	-53.9	173.4	0	0	0	109.2	L431 L433 F454 L476 V479 A540 Y545	L431-L543 HydrophobicContact CB-CB 4.29Å; L431-L543 PolarHBondContact N-O 2.93Å; L431-L543 PolarHBondContact O-N 3.3Å; L433-L543 HydrophobicContact CD1-CD1 4.17Å; L433-L543 HydrophobicContact CD1-CG 4.23Å; L433-L543 HydrophobicContact CD2-CD1 4.36Å; F454-L543 HydrophobicContact CB-CD1 3.57Å; F454-L543 HydrophobicContact CD1-CD1 4.09Å; F454-L543 HydrophobicContact CD1-CD2 4.21Å; F454-L543 HydrophobicContact CD2-CD1 4.05Å; F454-L543 HydrophobicContact CD2-CD2 3.78Å; F454-L543 HydrophobicContact CE1-CD2 4.22Å; F454-L543 HydrophobicContact CE2-CD2 3.78Å; F454-L543 HydrophobicContact CG-CD1 3.64Å; F454-L543 HydrophobicContact CG-CD2 4.01Å; F454-L543 HydrophobicContact CZ-CD2 4.02Å; L476-L543 HydrophobicContact CD1-CB 4.25Å; L476-L543 HydrophobicContact CD1-CD2 4.35Å; V479-L543 HydrophobicContact CB-CD2 4.36Å; V479-L543 HydrophobicContact CG1-CD2 3.89Å; V479-L543 HydrophobicContact CG2-CD2 4.13Å; A540-L543 HydrophobicContact CB-CD2 4.01Å; L543-Y545 HydrophobicContact CB-CD2 4.17Å; L543-Y545 HydrophobicContact CB-CE2 3.72Å; L543-Y545 HydrophobicContact CD1-CE2 4.02Å; L543-Y545 HydrophobicContact CG-CE2 4.49Å
544	V	97.9	Very high	86.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.2	174.4	-177.7	0	0	0	0	109	T258 V428 L429 H477 A478 L480 M542	T258-V544 HydrophobicContact CG2-CB 4.36Å; T258-V544 HydrophobicContact CG2-CG2 3.61Å; V428-V544 HydrophobicContact CG1-CG1 3.75Å; L429-V544 WeakPolarHBondContact O-CA 3.4Å; H477-V544 HydrophobicContact CB-CG1 4.48Å; H477-V544 PolarHBondContact N-O 3.46Å; A478-V544 HydrophobicContact CB-CB 4.01Å; A478-V544 HydrophobicContact CB-CG2 4.23Å; A478-V544 PolarHBondContact N-O 3.11Å; A478-V544 PolarHBondContact O-N 3.06Å; L480-V544 HydrophobicContact CD1-CG2 4.22Å; M542-V544 HydrophobicContact CE-CG2 4.44Å
545	Y	97.8	Very high	88.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.9	177.6	-75.6	-93.9	0	0	0	110.4	I387 L429 L431 Y455 I458 V475 L476 L543	I387-Y545 HydrophobicContact CD1-CE2 4.18Å; L429-Y545 PolarHBondContact N-O 2.97Å; L429-Y545 PolarHBondContact O-N 3.42Å; L431-Y545 HydrophobicContact CD1-CD2 3.8Å; L431-Y545 HydrophobicContact CD1-CE2 3.78Å; L431-Y545 HydrophobicContact CG-CD2 4.37Å; Y455-Y545 WeakPolarHBondContact O-CE1 3.38Å; Y455-Y545 PolarHBondContact O-OH 2.59Å; I458-Y545 HydrophobicContact CB-CE1 4.46Å; I458-Y545 HydrophobicContact CD1-CD1 3.71Å; I458-Y545 HydrophobicContact CD1-CD2 4.12Å; I458-Y545 HydrophobicContact CD1-CE1 3.64Å; I458-Y545 HydrophobicContact CD1-CE2 4.05Å; I458-Y545 HydrophobicContact CD1-CG 3.95Å; I458-Y545 HydrophobicContact CG1-CD1 3.86Å; I458-Y545 HydrophobicContact CG1-CE1 3.79Å; I458-Y545 HydrophobicContact CG2-CE1 3.94Å; V475-Y545 CarbonylContact O-C 3.5Å; V475-Y545 VanDerWaalsContact O-CA 3.31Å; V475-Y545 WeakPolarHBondContact O-CA 3.36Å; L476-Y545 HydrophobicContact CB-CD1 4.06Å; L476-Y545 HydrophobicContact CB-CE1 3.69Å; L476-Y545 HydrophobicContact CD1-CD1 4.27Å; L476-Y545 HydrophobicContact CD1-CD2 4.09Å; L476-Y545 HydrophobicContact CD1-CE1 3.83Å; L476-Y545 HydrophobicContact CD1-CE2 3.62Å; L476-Y545 HydrophobicContact CD1-CG 4.39Å; L476-Y545 VanDerWaalsContact CD1-CZ 3.49Å; L476-Y545 HydrophobicContact CG-CE1 4.34Å; L543-Y545 HydrophobicContact CB-CD2 4.17Å; L543-Y545 HydrophobicContact CB-CE2 3.72Å; L543-Y545 HydrophobicContact CD1-CE2 4.02Å; L543-Y545 HydrophobicContact CG-CE2 4.49Å
546	I	97.3	Very high	90.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.9	176	-61.5	174.5	0	0	0	108.9	P427 V428 Y474 V475 H477 Q548 V554 L555	P427-I546 WeakPolarHBondContact O-CA 3.34Å; V428-I546 HydrophobicContact CG2-CG1 4.45Å; Y474-I546 WeakPolarHBondContact CA-O 3.31Å; Y474-I546 VanDerWaalsContact CD1-C 3.47Å; V475-I546 PolarHBondContact N-O 2.67Å; V475-I546 PolarHBondContact O-N 3.19Å; H477-I546 HydrophobicContact CB-CD1 3.68Å; H477-I546 HydrophobicContact CB-CG1 3.86Å; H477-I546 VanDerWaalsContact CG-CD1 3.47Å; I546-Q548 PolarHBondContact O-N 3.24Å; I546-V554 HydrophobicContact CD1-CG1 3.94Å; I546-V554 HydrophobicContact CG1-CG1 4.45Å; I546-V554 HydrophobicContact CG2-CB 4.14Å; I546-V554 HydrophobicContact CG2-CG1 4.22Å; I546-V554 HydrophobicContact CG2-CG2 4.34Å; I546-L555 HydrophobicContact CD1-CD1 3.97Å; I546-L555 HydrophobicContact CD1-CD2 3.62Å; I546-L555 HydrophobicContact CD1-CG 3.86Å
547	R	95.6	Very high	92.1	Very high	19 Å²	19	37.5 Å²	37.5	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.2	178.8	-163.3	176.1	-173.4	165.2	2.6	110	P427 E468 T470 L471 D473 Y474 S549 E550 L551	P427-R547 PolarHBondContact O-N 3.1Å; E468-R547 IonicContact OE2-CZ 2.91Å; E468-R547 VanDerWaalsContact OE2-CZ 3.27Å; E468-R547 IonicContact OE2-NH1 3.47Å; E468-R547 PolarHBondContact OE2-NH1 2.88Å; E468-R547 IonicContact OE2-NH2 2.81Å; E468-R547 PolarHBondContact OE2-NH2 2.77Å; T470-R547 PolarHBondContact O-NH2 2.97Å; T470-R547 PolarHBondContact OG1-NH2 2.67Å; L471-R547 PolarHBondContact O-NE 3.25Å; L471-R547 PolarHBondContact O-NH2 3.13Å; D473-R547 WeakPolarHBondContact O-CA 3.39Å; Y474-R547 HydrophobicContact CD1-CB 4.19Å; Y474-R547 HydrophobicContact CE1-CB 3.72Å; Y474-R547 HydrophobicContact CE1-CG 4.35Å; Y474-R547 HydrophobicContact CE2-CG 4.31Å; R547-S549 PolarHBondContact O-N 2.57Å; R547-S549 VanDerWaalsContact O-N 3.15Å; R547-E550 HydrophobicContact CB-CB 4.49Å; R547-E550 PolarHBondContact O-N 3.49Å; R547-L551 PolarHBondContact O-N 3.06Å
548	Q	93.7	Very high	93.1	Very high	95 Å²	95	36.5 Å²	36.5	44%	0.444	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-56.3	-35.7	-174.9	-176.8	68.8	58.6	0	0	112.6	D473 I546 E550	D473-Q548 HydrophobicContact CB-CB 4.17Å; D473-Q548 PolarHBondContact O-N 3.04Å; I546-Q548 PolarHBondContact O-N 3.24Å; Q548-E550 VanDerWaalsContact C-N 3.33Å; Q548-E550 PolarHBondContact O-N 3.31Å
549	S	93.4	Very high	93.1	Very high	62 Å²	62	38.6 Å²	38.6	43%	0.434	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-72.2	-22.3	179.2	59.9	0	0	0	0	114.3	R547	R547-S549 PolarHBondContact O-N 2.57Å; R547-S549 VanDerWaalsContact O-N 3.15Å
550	E	93.3	Very high	92.5	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-106.7	5	-176.8	-65.5	-70.3	135.1	0	0	112.2	P427 R547 Q548 D552 R553 V554	P427-E550 HydrophobicContact CB-CB 4.16Å; P427-E550 HydrophobicContact CB-CG 4.17Å; P427-E550 HydrophobicContact CG-CG 4.36Å; R547-E550 HydrophobicContact CB-CB 4.49Å; R547-E550 PolarHBondContact O-N 3.49Å; Q548-E550 VanDerWaalsContact C-N 3.33Å; Q548-E550 PolarHBondContact O-N 3.31Å; E550-D552 PolarHBondContact O-N 2.91Å; E550-R553 PolarHBondContact O-N 2.96Å; E550-R553 VanDerWaalsContact O-N 3.11Å; E550-R553 WeakPolarHBondContact OE2-CD 3.34Å; E550-R553 IonicContact OE2-CZ 3.02Å; E550-R553 IonicContact OE2-NE 3.07Å; E550-R553 IonicContact OE2-NH1 3.02Å; E550-R553 PolarHBondContact OE2-NH1 2.92Å; E550-V554 HydrophobicContact CB-CG2 4.22Å; E550-V554 WeakPolarHBondContact O-CG2 3.47Å; E550-V554 PolarHBondContact O-N 3.26Å
551	L	92.6	Very high	91.8	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-45.4	-171.5	-164.1	147.1	0	0	0	112.2	V475 A499 R547 R553 V554 L555	V475-L551 HydrophobicContact CB-CD1 4.45Å; V475-L551 HydrophobicContact CG2-CD1 4.2Å; A499-L551 HydrophobicContact CB-CD1 3.79Å; A499-L551 HydrophobicContact CB-CD2 4.14Å; A499-L551 HydrophobicContact CB-CG 4.27Å; R547-L551 PolarHBondContact O-N 3.06Å; L551-R553 VanDerWaalsContact C-N 3.29Å; L551-R553 PolarHBondContact O-N 3.41Å; L551-V554 PolarHBondContact O-N 2.98Å; L551-L555 HydrophobicContact CD2-CD1 4.11Å; L551-L555 HydrophobicContact CG-CD1 4.1Å; L551-L555 WeakPolarHBondContact O-CB 3.1Å; L551-L555 PolarHBondContact O-N 2.83Å
552	D	91.6	Very high	91.4	Very high	142 Å²	142	53.7 Å²	53.7	76%	0.759	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-34.1	177.9	-65.8	-33.2	0	0	0	112.6	E550 G556	E550-D552 PolarHBondContact O-N 2.91Å; D552-G556 VanDerWaalsContact O-CA 3.28Å; D552-G556 WeakPolarHBondContact O-CA 3.19Å; D552-G556 PolarHBondContact O-N 3.44Å; D552-G556 VanDerWaalsContact O-N 3.08Å
553	R	93	Very high	91	Very high	150 Å²	150	54.2 Å²	54.2	57%	0.566	29%	0.288	S	S	*	.	H	α-helix	trans	-74.5	-44	177.9	-178.4	-165.4	171.9	-169.9	-4.8	111.3	E550 L551	E550-R553 PolarHBondContact O-N 2.96Å; E550-R553 VanDerWaalsContact O-N 3.11Å; E550-R553 WeakPolarHBondContact OE2-CD 3.34Å; E550-R553 IonicContact OE2-CZ 3.02Å; E550-R553 IonicContact OE2-NE 3.07Å; E550-R553 IonicContact OE2-NH1 3.02Å; E550-R553 PolarHBondContact OE2-NH1 2.92Å; L551-R553 VanDerWaalsContact C-N 3.29Å; L551-R553 PolarHBondContact O-N 3.41Å
554	V	94.5	Very high	90.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.9	-40.4	-175.7	175	0	0	0	0	111.5	T262 N263 S264 L350 P427 V428 I546 E550 L551	T262-V554 HydrophobicContact CG2-CG1 3.94Å; N263-V554 WeakPolarHBondContact CB-O 3.36Å; N263-V554 PolarHBondContact N-O 3.09Å; N263-V554 VanDerWaalsContact N-O 3.16Å; S264-V554 PolarHBondContact N-O 3.37Å; L350-V554 HydrophobicContact CD2-CG2 4.32Å; P427-V554 HydrophobicContact CB-CG2 4.23Å; V428-V554 HydrophobicContact CG2-CG1 3.76Å; V428-V554 HydrophobicContact CG2-CG2 4.26Å; I546-V554 HydrophobicContact CD1-CG1 3.94Å; I546-V554 HydrophobicContact CG1-CG1 4.45Å; I546-V554 HydrophobicContact CG2-CB 4.14Å; I546-V554 HydrophobicContact CG2-CG1 4.22Å; I546-V554 HydrophobicContact CG2-CG2 4.34Å; E550-V554 HydrophobicContact CB-CG2 4.22Å; E550-V554 WeakPolarHBondContact O-CG2 3.47Å; E550-V554 PolarHBondContact O-N 3.26Å; L551-V554 PolarHBondContact O-N 2.98Å
555	L	94.3	Very high	89.9	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.073	33%	0.331	C	S	.	.	S	Bend	trans	-103.9	9.6	-175.6	-58.5	-177.2	0	0	0	113.8	F261 N263 A499 I546 L551 D557	F261-L555 VanDerWaalsContact O-CD2 3.3Å; F261-L555 WeakPolarHBondContact O-CD2 3.03Å; N263-L555 PolarHBondContact ND2-O 3.26Å; A499-L555 HydrophobicContact CB-CD1 3.74Å; I546-L555 HydrophobicContact CD1-CD1 3.97Å; I546-L555 HydrophobicContact CD1-CD2 3.62Å; I546-L555 HydrophobicContact CD1-CG 3.86Å; L551-L555 HydrophobicContact CD2-CD1 4.11Å; L551-L555 HydrophobicContact CG-CD1 4.1Å; L551-L555 WeakPolarHBondContact O-CB 3.1Å; L551-L555 PolarHBondContact O-N 2.83Å; L555-D557 PolarHBondContact O-N 3.49Å
556	G	89.4	Confident	89.4	Confident	31 Å²	31	65.1 Å²	65.1	32%	0.32	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-51.4	139.9	177.2	0	0	0	0	0	112.7	N263 D552	N263-G556 WeakPolarHBondContact CB-O 3.39Å; N263-G556 PolarHBondContact ND2-O 3.3Å; D552-G556 VanDerWaalsContact O-CA 3.28Å; D552-G556 WeakPolarHBondContact O-CA 3.19Å; D552-G556 PolarHBondContact O-N 3.44Å; D552-G556 VanDerWaalsContact O-N 3.08Å
557	D	86.4	Confident	89.1	Confident	119 Å²	119	65.7 Å²	65.7	64%	0.636	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-67	134.1	-179.8	-77.2	-35.3	0	0	0	110.2	K498 L555	K498-D557 IonicContact NZ-OD1 3.38Å; K498-D557 PolarHBondContact NZ-OD1 3.16Å; K498-D557 IonicContact NZ-OD2 3.19Å; L555-D557 PolarHBondContact O-N 3.49Å
558	I	86.8	Confident	88.8	Confident	18 Å²	18	66.8 Å²	66.8	9%	0.092	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-98	118	179.1	-58.5	170.8	0	0	0	108.2	N263 R266 L267 E562	N263-I558 HydrophobicContact CB-CD1 4.05Å; N263-I558 HydrophobicContact CB-CG1 4.25Å; N263-I558 WeakPolarHBondContact O-CD1 3.43Å; R266-I558 HydrophobicContact CB-CD1 3.95Å; R266-I558 HydrophobicContact CG-CD1 4.02Å; L267-I558 HydrophobicContact CB-CD1 3.99Å; L267-I558 HydrophobicContact CB-CG1 4.4Å; L267-I558 HydrophobicContact CD1-CG2 4.32Å; I558-E562 HydrophobicContact CG2-CB 4.35Å
559	T	83.7	Confident	88.6	Confident	72 Å²	72	68.5 Å²	68.5	44%	0.442	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-83.5	154.3	175.7	61.7	0	0	0	0	111.4	S561 E562	T559-S561 PolarHBondContact O-N 3.2Å; T559-S561 PolarHBondContact OG1-OG 3.22Å; T559-E562 PolarHBondContact O-N 3.2Å
560	E	79.5	Confident	88.5	Confident	141 Å²	141	68.3 Å²	68.3	66%	0.659	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-57	-31.5	177.9	-71.5	-179.9	-174.6	0	0	112.8	F296 E562 I563	F296-E560 HydrophobicContact CE1-CG 3.61Å; F296-E560 WeakPolarHBondContact CE1-OE1 3.48Å; F296-E560 HydrophobicContact CZ-CG 3.8Å; E560-E562 PolarHBondContact O-N 2.84Å; E560-I563 PolarHBondContact O-N 3.44Å; E560-I563 VanDerWaalsContact O-N 3.16Å
561	S	80.9	Confident	88.4	Confident	110 Å²	110	66.1 Å²	66.1	77%	0.769	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-65	-15.9	177.4	44.3	0	0	0	0	114.8	T559	T559-S561 PolarHBondContact O-N 3.2Å; T559-S561 PolarHBondContact OG1-OG 3.22Å
562	E	83	Confident	88.2	Confident	72 Å²	72	68.2 Å²	68.2	34%	0.336	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-85.4	-10.7	177.2	-63.8	-170.7	146.1	0	0	113.5	L267 I558 T559 E560	L267-E562 HydrophobicContact CD1-CB 3.8Å; I558-E562 HydrophobicContact CG2-CB 4.35Å; T559-E562 PolarHBondContact O-N 3.2Å; E560-E562 PolarHBondContact O-N 2.84Å
563	I	87.9	Confident	88.1	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.062	35%	0.354	C	S	.	.	S	Bend	trans	-92	130.9	177.5	-51	178.2	0	0	0	108.2	Y270 F296 E560 S565 L567 V568	Y270-I563 HydrophobicContact CD2-CD1 4.15Å; Y270-I563 HydrophobicContact CD2-CG1 3.94Å; Y270-I563 HydrophobicContact CE2-CD1 3.89Å; Y270-I563 HydrophobicContact CE2-CG1 4.19Å; Y270-I563 HydrophobicContact CG-CG1 4.33Å; Y270-I563 HydrophobicContact CG-CG2 4.45Å; F296-I563 HydrophobicContact CE2-CD1 3.7Å; F296-I563 HydrophobicContact CZ-CD1 3.76Å; E560-I563 PolarHBondContact O-N 3.44Å; E560-I563 VanDerWaalsContact O-N 3.16Å; I563-S565 PolarHBondContact O-N 3.49Å; I563-L567 HydrophobicContact CG2-CD2 4.32Å; I563-V568 HydrophobicContact CB-CG2 4.5Å; I563-V568 HydrophobicContact CG2-CG2 3.77Å
564	S	87.2	Confident	87.8	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	33%	0.333	S	S	.	.			trans	-59.6	131.2	177.8	179.5	0	0	0	0	111.2	D566 L567 V568	S564-D566 PolarHBondContact O-N 2.88Å; S564-D566 PolarHBondContact OG-N 3.4Å; S564-L567 WeakPolarHBondContact O-CB 3.46Å; S564-L567 PolarHBondContact O-N 2.96Å; S564-V568 PolarHBondContact O-N 3.34Å
565	S	87.1	Confident	87.4	Confident	75 Å²	75	64.8 Å²	64.8	52%	0.524	35%	0.354	S	S	.	.	H	α-helix	trans	-57.2	-37.8	175.8	50.9	0	0	0	0	112	I563 L567 V568 E569	I563-S565 PolarHBondContact O-N 3.49Å; S565-L567 VanDerWaalsContact C-N 3.29Å; S565-L567 PolarHBondContact O-N 3.38Å; S565-V568 PolarHBondContact O-N 3.02Å; S565-E569 WeakPolarHBondContact O-CG 3.4Å; S565-E569 PolarHBondContact O-N 3.07Å
566	D	87.3	Confident	87.1	Confident	100 Å²	100	71.2 Å²	71.2	54%	0.535	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-36.6	-178.3	-60.5	-10.8	0	0	0	111.4	S564 R570	S564-D566 PolarHBondContact O-N 2.88Å; S564-D566 PolarHBondContact OG-N 3.4Å; D566-R570 WeakPolarHBondContact O-CB 3.18Å; D566-R570 PolarHBondContact O-N 3.37Å; D566-R570 VanDerWaalsContact O-N 3.09Å
567	L	89.3	Confident	87.1	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.073	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-46.3	175.5	178.4	62.3	0	0	0	110.7	Y270 L285 Q288 I563 S564 S565 R570 L571	Y270-L567 HydrophobicContact CD1-CD2 4.14Å; L285-L567 HydrophobicContact CD1-CD1 4.24Å; Q288-L567 HydrophobicContact CB-CD1 4.32Å; Q288-L567 HydrophobicContact CB-CD2 4.28Å; Q288-L567 HydrophobicContact CG-CD2 4.21Å; I563-L567 HydrophobicContact CG2-CD2 4.32Å; S564-L567 WeakPolarHBondContact O-CB 3.46Å; S564-L567 PolarHBondContact O-N 2.96Å; S565-L567 VanDerWaalsContact C-N 3.29Å; S565-L567 PolarHBondContact O-N 3.38Å; L567-R570 PolarHBondContact O-N 3.12Å; L567-L571 HydrophobicContact CD1-CD1 4.17Å; L567-L571 HydrophobicContact CD1-CG 4.18Å; L567-L571 HydrophobicContact CG-CD1 4.16Å; L567-L571 VanDerWaalsContact O-CG 3.29Å; L567-L571 WeakPolarHBondContact O-CG 3.42Å; L567-L571 PolarHBondContact O-N 2.91Å
568	V	89.9	Confident	87	Confident	42 Å²	42	72.4 Å²	72.4	26%	0.255	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-49.1	179.2	177.9	0	0	0	0	110.6	I563 S564 S565 R570 L571 D572	I563-V568 HydrophobicContact CB-CG2 4.5Å; I563-V568 HydrophobicContact CG2-CG2 3.77Å; S564-V568 PolarHBondContact O-N 3.34Å; S565-V568 PolarHBondContact O-N 3.02Å; V568-R570 VanDerWaalsContact C-N 3.3Å; V568-R570 PolarHBondContact O-N 3.2Å; V568-L571 PolarHBondContact O-N 3.17Å; V568-D572 WeakPolarHBondContact O-CB 3.4Å; V568-D572 PolarHBondContact O-N 2.94Å
569	E	90.4	Very high	86.8	Confident	131 Å²	131	76.7 Å²	76.7	61%	0.612	39%	0.394	S	S	*	.	H	α-helix	trans	-58.4	-41.7	178.4	-74.6	-173.7	-174	0	0	112.2	S565 L573	S565-E569 WeakPolarHBondContact O-CG 3.4Å; S565-E569 PolarHBondContact O-N 3.07Å; E569-L573 WeakPolarHBondContact O-CB 3.36Å; E569-L573 PolarHBondContact O-N 3.31Å
570	R	90.8	Very high	87	Confident	59 Å²	59	76 Å²	76	22%	0.223	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-48.3	176.2	-179.9	176.9	179.8	167.4	2.1	111.9	T274 E275 D277 D566 L567 V568 D572 L573 E574	T274-R570 PolarHBondContact O-NH1 3.23Å; E275-R570 PolarHBondContact O-NH1 2.63Å; D277-R570 PolarHBondContact O-NH2 3.04Å; D566-R570 WeakPolarHBondContact O-CB 3.18Å; D566-R570 PolarHBondContact O-N 3.37Å; D566-R570 VanDerWaalsContact O-N 3.09Å; L567-R570 PolarHBondContact O-N 3.12Å; V568-R570 VanDerWaalsContact C-N 3.3Å; V568-R570 PolarHBondContact O-N 3.2Å; R570-D572 VanDerWaalsContact C-N 3.33Å; R570-D572 PolarHBondContact O-N 3.45Å; R570-L573 PolarHBondContact O-N 3.22Å; R570-E574 PolarHBondContact O-N 3.14Å
571	L	90.4	Very high	87.3	Confident	9 Å²	9	76.4 Å²	76.4	5%	0.047	39%	0.391	C	S	.	.	H	α-helix	trans	-64.5	-38.8	-179.7	-66.9	179.8	0	0	0	111.5	L285 R289 H292 L567 V568 E574 K575	L285-L571 HydrophobicContact CD1-CD2 4.43Å; R289-L571 HydrophobicContact CB-CD2 3.86Å; R289-L571 HydrophobicContact CG-CD2 4.01Å; H292-L571 HydrophobicContact CB-CD1 3.62Å; L567-L571 HydrophobicContact CD1-CD1 4.17Å; L567-L571 HydrophobicContact CD1-CG 4.18Å; L567-L571 HydrophobicContact CG-CD1 4.16Å; L567-L571 VanDerWaalsContact O-CG 3.29Å; L567-L571 WeakPolarHBondContact O-CG 3.42Å; L567-L571 PolarHBondContact O-N 2.91Å; V568-L571 PolarHBondContact O-N 3.17Å; L571-E574 PolarHBondContact O-N 2.89Å; L571-K575 WeakPolarHBondContact O-CB 3.46Å; L571-K575 PolarHBondContact O-N 3Å
572	D	89.1	Confident	87.2	Confident	67 Å²	67	80.4 Å²	80.4	36%	0.358	39%	0.389	S	S	.	.	H	α-helix	trans	-67.9	-37.7	175.7	-80.6	-19.2	0	0	0	112.8	V568 R570 K575 R576	V568-D572 WeakPolarHBondContact O-CB 3.4Å; V568-D572 PolarHBondContact O-N 2.94Å; R570-D572 VanDerWaalsContact C-N 3.33Å; R570-D572 PolarHBondContact O-N 3.45Å; D572-K575 PolarHBondContact O-N 2.74Å; D572-R576 WeakPolarHBondContact O-CG 3.43Å; D572-R576 PolarHBondContact O-N 2.99Å; D572-R576 PolarHBondContact O-NE 3.4Å
573	L	89.4	Confident	87.2	Confident	89 Å²	89	83.7 Å²	83.7	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-46.5	172.1	-178.6	61.5	0	0	0	111.1	E569 R570 K575 R576 I577	E569-L573 WeakPolarHBondContact O-CB 3.36Å; E569-L573 PolarHBondContact O-N 3.31Å; R570-L573 PolarHBondContact O-N 3.22Å; L573-K575 VanDerWaalsContact C-N 3.32Å; L573-K575 PolarHBondContact O-N 3.12Å; L573-R576 PolarHBondContact O-N 3.34Å; L573-I577 HydrophobicContact CD1-CD1 4.35Å; L573-I577 HydrophobicContact CG-CD1 4.06Å; L573-I577 WeakPolarHBondContact O-CG1 3.48Å; L573-I577 PolarHBondContact O-N 3.37Å
574	E	86.8	Confident	86.9	Confident	27 Å²	27	89.2 Å²	89.2	13%	0.126	43%	0.428	C	S	.	.	H	α-helix	trans	-59.9	-42.4	176.3	-75.1	-171.2	169.7	0	0	112	S279 R289 R570 L571 R576 I577 E578	S279-E574 WeakPolarHBondContact CB-OE1 3.39Å; S279-E574 PolarHBondContact OG-OE1 3.23Å; R289-E574 IonicContact CZ-OE2 3.82Å; R289-E574 IonicContact NE-OE2 2.68Å; R289-E574 PolarHBondContact NE-OE2 3.18Å; R289-E574 IonicContact NH2-OE1 2.79Å; R289-E574 PolarHBondContact NH2-OE1 3.19Å; R289-E574 IonicContact NH2-OE2 3.2Å; R289-E574 PolarHBondContact NH2-OE2 3.16Å; R570-E574 PolarHBondContact O-N 3.14Å; L571-E574 PolarHBondContact O-N 2.89Å; E574-R576 PolarHBondContact O-N 3.18Å; E574-I577 PolarHBondContact O-N 2.88Å; E574-E578 WeakPolarHBondContact O-CB 3.36Å; E574-E578 PolarHBondContact O-N 2.92Å
575	K	86.1	Confident	86.4	Confident	104 Å²	104	94.7 Å²	94.7	45%	0.452	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-42.5	176.7	-166.3	178.8	-179.8	178.6	0	111.4	L571 D572 L573 E578 M579	L571-K575 WeakPolarHBondContact O-CB 3.46Å; L571-K575 PolarHBondContact O-N 3Å; D572-K575 PolarHBondContact O-N 2.74Å; L573-K575 VanDerWaalsContact C-N 3.32Å; L573-K575 PolarHBondContact O-N 3.12Å; K575-E578 PolarHBondContact O-N 3.15Å; K575-M579 HydrophobicContact CG-CE 4.1Å; K575-M579 WeakPolarHBondContact O-CB 3.3Å; K575-M579 VanDerWaalsContact O-CG 3.3Å; K575-M579 WeakPolarHBondContact O-CG 3.32Å; K575-M579 PolarHBondContact O-N 3.05Å
576	R	88.5	Confident	85.9	Confident	150 Å²	150	93 Å²	93	57%	0.566	43%	0.434	S	S	*	.	H	α-helix	trans	-61.6	-44.6	174.3	-76.5	-177.5	-72.6	173.4	-3.7	112.2	D572 L573 E574 E578 M579 A580	D572-R576 WeakPolarHBondContact O-CG 3.43Å; D572-R576 PolarHBondContact O-N 2.99Å; D572-R576 PolarHBondContact O-NE 3.4Å; L573-R576 PolarHBondContact O-N 3.34Å; E574-R576 PolarHBondContact O-N 3.18Å; R576-E578 PolarHBondContact O-N 3.33Å; R576-M579 HydrophobicContact CG-CE 4.25Å; R576-M579 PolarHBondContact O-N 3.19Å; R576-A580 WeakPolarHBondContact O-CB 3.46Å; R576-A580 PolarHBondContact O-N 3.25Å
577	I	88	Confident	85.5	Confident	79 Å²	79	92.5 Å²	92.5	41%	0.405	43%	0.429	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.4	-67.1	165.7	0	0	0	110.8	L573 E574 A580 R581	L573-I577 HydrophobicContact CD1-CD1 4.35Å; L573-I577 HydrophobicContact CG-CD1 4.06Å; L573-I577 WeakPolarHBondContact O-CG1 3.48Å; L573-I577 PolarHBondContact O-N 3.37Å; E574-I577 PolarHBondContact O-N 2.88Å; I577-A580 PolarHBondContact O-N 2.97Å; I577-R581 WeakPolarHBondContact O-CG 3.44Å; I577-R581 PolarHBondContact O-N 3.08Å
578	E	84.3	Confident	84.8	Confident	96 Å²	96	93.6 Å²	93.6	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-40.2	-179.9	-171.4	164.3	168.9	0	0	112.2	K305 E574 K575 R576 R581 R582	K305-E578 WeakPolarHBondContact CE-OE2 3.31Å; K305-E578 IonicContact NZ-OE2 3.96Å; K305-E578 PolarHBondContact NZ-OE2 3.47Å; E574-E578 WeakPolarHBondContact O-CB 3.36Å; E574-E578 PolarHBondContact O-N 2.92Å; K575-E578 PolarHBondContact O-N 3.15Å; R576-E578 PolarHBondContact O-N 3.33Å; E578-R581 PolarHBondContact O-N 3.17Å; E578-R582 WeakPolarHBondContact O-CB 3.24Å; E578-R582 PolarHBondContact O-N 2.58Å
579	M	83.8	Confident	84.1	Confident	107 Å²	107	97.9 Å²	97.9	53%	0.527	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-42.4	172.1	-73.5	-173.6	-66	0	0	111.7	K575 R576 R582 K583	K575-M579 HydrophobicContact CG-CE 4.1Å; K575-M579 WeakPolarHBondContact O-CB 3.3Å; K575-M579 VanDerWaalsContact O-CG 3.3Å; K575-M579 WeakPolarHBondContact O-CG 3.32Å; K575-M579 PolarHBondContact O-N 3.05Å; R576-M579 HydrophobicContact CG-CE 4.25Å; R576-M579 PolarHBondContact O-N 3.19Å; M579-R582 PolarHBondContact O-N 3.3Å; M579-K583 WeakPolarHBondContact O-CB 3.48Å; M579-K583 PolarHBondContact O-N 3.1Å
580	A	86.4	Confident	83.8	Confident	57 Å²	57	94.4 Å²	94.4	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-47.5	175.3	0	0	0	0	0	111.8	R576 I577 R582 K583 E584	R576-A580 WeakPolarHBondContact O-CB 3.46Å; R576-A580 PolarHBondContact O-N 3.25Å; I577-A580 PolarHBondContact O-N 2.97Å; A580-R582 VanDerWaalsContact C-N 3.31Å; A580-R582 PolarHBondContact O-N 3.13Å; A580-K583 WeakPolarHBondContact O-CB 3.39Å; A580-K583 PolarHBondContact O-N 3.29Å; A580-E584 WeakPolarHBondContact O-CB 3.34Å; A580-E584 PolarHBondContact O-N 3.4Å
581	R	85.7	Confident	83.5	Confident	151 Å²	151	95.4 Å²	95.4	57%	0.57	45%	0.454	S	S	*	.	H	α-helix	trans	-63.1	-34.5	175.9	-75.5	-178.9	175.7	-179.8	-0.7	113.2	I577 E578 R585	I577-R581 WeakPolarHBondContact O-CG 3.44Å; I577-R581 PolarHBondContact O-N 3.08Å; E578-R581 PolarHBondContact O-N 3.17Å; R581-R585 WeakPolarHBondContact O-CB 3.37Å; R581-R585 WeakPolarHBondContact O-CG 2.9Å; R581-R585 PolarHBondContact O-N 3.28Å
582	R	80.1	Confident	83.4	Confident	193 Å²	193	96.4 Å²	96.4	73%	0.728	46%	0.46	S	S	*	.	H	α-helix	trans	-69.7	-40.4	175.7	-174.9	175.7	179.4	167.8	-0.4	110.8	E578 M579 A580 R585 G586	E578-R582 WeakPolarHBondContact O-CB 3.24Å; E578-R582 PolarHBondContact O-N 2.58Å; M579-R582 PolarHBondContact O-N 3.3Å; A580-R582 VanDerWaalsContact C-N 3.31Å; A580-R582 PolarHBondContact O-N 3.13Å; R582-R585 PolarHBondContact O-N 2.9Å; R582-G586 PolarHBondContact O-N 3.35Å
583	K	83.4	Confident	83.5	Confident	142 Å²	142	95 Å²	95	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-61.8	-48	173.2	-173.8	-179.8	177	-174.9	0	110.6	M579 A580 R585 G586 E587	M579-K583 WeakPolarHBondContact O-CB 3.48Å; M579-K583 PolarHBondContact O-N 3.1Å; A580-K583 WeakPolarHBondContact O-CB 3.39Å; A580-K583 PolarHBondContact O-N 3.29Å; K583-R585 PolarHBondContact O-N 3.23Å; K583-G586 CarbonylContact O-C 3.59Å; K583-G586 WeakPolarHBondContact O-CA 3.48Å; K583-G586 PolarHBondContact O-N 2.78Å; K583-G586 VanDerWaalsContact O-N 3.11Å; K583-E587 WeakPolarHBondContact CE-OE1 3.21Å; K583-E587 WeakPolarHBondContact O-CG 3.45Å; K583-E587 PolarHBondContact O-N 3.25Å
584	E	80.1	Confident	83.6	Confident	128 Å²	128	90.7 Å²	90.7	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-59.3	-44.2	176.5	-173.2	-173.7	-176.8	0	0	112.5	A580 G586 E587 A588	A580-E584 WeakPolarHBondContact O-CB 3.34Å; A580-E584 PolarHBondContact O-N 3.4Å; E584-G586 VanDerWaalsContact C-N 3.34Å; E584-G586 PolarHBondContact O-N 3.4Å; E584-E587 CarbonylContact O-C 3.46Å; E584-E587 PolarHBondContact O-N 2.82Å; E584-A588 WeakPolarHBondContact O-CB 2.97Å; E584-A588 PolarHBondContact O-N 3.48Å
585	R	77.7	Confident	83.8	Confident	168 Å²	168	91.3 Å²	91.3	63%	0.634	44%	0.436	S	S	*	.	H	α-helix	trans	-63.6	-38.4	173.6	-81.6	-175.4	-102.2	174.5	-8	112.8	R581 R582 K583 A588 N589	R581-R585 WeakPolarHBondContact O-CB 3.37Å; R581-R585 WeakPolarHBondContact O-CG 2.9Å; R581-R585 PolarHBondContact O-N 3.28Å; R582-R585 PolarHBondContact O-N 2.9Å; K583-R585 PolarHBondContact O-N 3.23Å; R585-A588 PolarHBondContact O-N 3.11Å; R585-N589 PolarHBondContact O-N 2.94Å
586	G	76.9	Confident	84.1	Confident	39 Å²	39	86.5 Å²	86.5	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-43.3	173.1	0	0	0	0	0	111.8	R582 K583 E584 N589	R582-G586 PolarHBondContact O-N 3.35Å; K583-G586 CarbonylContact O-C 3.59Å; K583-G586 WeakPolarHBondContact O-CA 3.48Å; K583-G586 PolarHBondContact O-N 2.78Å; K583-G586 VanDerWaalsContact O-N 3.11Å; E584-G586 VanDerWaalsContact C-N 3.34Å; E584-G586 PolarHBondContact O-N 3.4Å; G586-N589 PolarHBondContact O-N 3.49Å
587	E	79.1	Confident	84.2	Confident	90 Å²	90	79.4 Å²	79.4	42%	0.421	39%	0.388	S	S	.	.	H	α-helix	trans	-66.1	-38.9	175	-71.4	175.8	-167.3	0	0	111.7	K583 E584 N589 T590 Y591	K583-E587 WeakPolarHBondContact CE-OE1 3.21Å; K583-E587 WeakPolarHBondContact O-CG 3.45Å; K583-E587 PolarHBondContact O-N 3.25Å; E584-E587 CarbonylContact O-C 3.46Å; E584-E587 PolarHBondContact O-N 2.82Å; E587-N589 PolarHBondContact O-N 3.24Å; E587-T590 WeakPolarHBondContact O-CA 3.47Å; E587-T590 WeakPolarHBondContact O-CB 3.11Å; E587-T590 PolarHBondContact O-N 3.44Å; E587-T590 PolarHBondContact O-OG1 2.8Å; E587-Y591 WeakPolarHBondContact O-CD2 3.21Å
588	A	74.6	Confident	84.3	Confident	38 Å²	38	76.9 Å²	76.9	31%	0.314	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-34.4	177.5	0	0	0	0	0	112.7	E584 R585 T590 Y591	E584-A588 WeakPolarHBondContact O-CB 2.97Å; E584-A588 PolarHBondContact O-N 3.48Å; R585-A588 PolarHBondContact O-N 3.11Å; A588-T590 PolarHBondContact O-N 3.19Å; A588-Y591 PolarHBondContact O-N 2.93Å; A588-Y591 VanDerWaalsContact O-N 3.16Å
589	N	75.7	Confident	84.4	Confident	131 Å²	131	73.3 Å²	73.3	70%	0.701	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17	175	-72.6	-14.5	0	0	0	113.6	R585 G586 E587 Y591 Q625	R585-N589 PolarHBondContact O-N 2.94Å; G586-N589 PolarHBondContact O-N 3.49Å; E587-N589 PolarHBondContact O-N 3.24Å; N589-Y591 VanDerWaalsContact C-N 3.34Å; N589-Q625 PolarHBondContact O-NE2 3.19Å; N589-Q625 VanDerWaalsContact O-NE2 3.08Å
590	T	83.3	Confident	84.5	Confident	59 Å²	59	74.1 Å²	74.1	36%	0.362	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.3	175.2	72	0	0	0	0	113.2	E587 A588 K624 Q625	E587-T590 WeakPolarHBondContact O-CA 3.47Å; E587-T590 WeakPolarHBondContact O-CB 3.11Å; E587-T590 PolarHBondContact O-N 3.44Å; E587-T590 PolarHBondContact O-OG1 2.8Å; A588-T590 PolarHBondContact O-N 3.19Å; T590-K624 WeakPolarHBondContact O-CA 3.29Å; T590-Q625 WeakPolarHBondContact O-CB 3.47Å; T590-Q625 VanDerWaalsContact O-CG 3.29Å; T590-Q625 WeakPolarHBondContact O-CG 3.21Å; T590-Q625 PolarHBondContact O-N 3.2Å
591	Y	85.2	Confident	84.3	Confident	79 Å²	79	72.9 Å²	72.9	31%	0.31	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.5	176.1	-70.7	-94.3	0	0	0	111.8	E587 A588 N589 R622 I623 K624	E587-Y591 WeakPolarHBondContact O-CD2 3.21Å; A588-Y591 PolarHBondContact O-N 2.93Å; A588-Y591 VanDerWaalsContact O-N 3.16Å; N589-Y591 VanDerWaalsContact C-N 3.34Å; Y591-R622 HydrophobicContact CD1-CB 4.38Å; Y591-I623 CarbonylContact C-O 3.45Å; Y591-I623 WeakPolarHBondContact CA-O 3.44Å; Y591-K624 HydrophobicContact CD1-CG 3.81Å; Y591-K624 HydrophobicContact CE1-CD 4.32Å; Y591-K624 HydrophobicContact CE1-CG 3.39Å; Y591-K624 HydrophobicContact CE2-CG 4.32Å; Y591-K624 HydrophobicContact CG-CG 4.44Å; Y591-K624 VanDerWaalsContact CZ-CE 3.47Å; Y591-K624 WeakPolarHBondContact OH-CE 3.47Å
592	V	88.1	Confident	84.3	Confident	30 Å²	30	65.7 Å²	65.7	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.9	169.3	-177.1	0	0	0	0	108.5	V594 I623 Q625 I673 W683	V592-V594 HydrophobicContact CG1-CG2 4.4Å; V592-I623 HydrophobicContact CB-CG2 4.39Å; V592-I623 PolarHBondContact N-O 3.37Å; V592-I623 PolarHBondContact O-N 3.08Å; V592-I623 VanDerWaalsContact O-N 3.13Å; V592-Q625 HydrophobicContact CG2-CG 3.6Å; V592-I673 HydrophobicContact CB-CG2 4.18Å; V592-I673 HydrophobicContact CG1-CG2 4.41Å; V592-I673 HydrophobicContact CG2-CG2 3.93Å; V592-W683 HydrophobicContact CG1-CB 4.42Å
593	S	89.6	Confident	84.1	Confident	37 Å²	37	61.9 Å²	61.9	26%	0.259	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.1	170.4	-166.3	0	0	0	0	109.2	H595 V620 W683	S593-H595 PolarHBondContact OG-CD2 2.91Å; S593-H595 VanDerWaalsContact OG-CD2 3.29Å; S593-H595 PolarHBondContact OG-NE2 3.43Å; S593-H595 VanDerWaalsContact OG-NE2 3.08Å; S593-V620 WeakPolarHBondContact OG-CG1 3.42Å; S593-W683 PolarHBondContact O-N 3.37Å
594	V	91.4	Very high	83.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.3	177.2	-172.9	0	0	0	0	108.4	V592 V596 V620 F621 I623 L632 F636 W683 I685	V592-V594 HydrophobicContact CG1-CG2 4.4Å; V594-V596 HydrophobicContact CG1-CG2 4.35Å; V594-V620 WeakPolarHBondContact O-CA 3.38Å; V594-F621 HydrophobicContact CB-CB 4.47Å; V594-F621 PolarHBondContact N-O 2.83Å; V594-F621 PolarHBondContact O-N 3.48Å; V594-I623 HydrophobicContact CG2-CG2 4.06Å; V594-L632 HydrophobicContact CG2-CD1 4.22Å; V594-L632 HydrophobicContact CG2-CD2 4.49Å; V594-F636 HydrophobicContact CG1-CZ 4.04Å; V594-W683 CarbonylContact C-O 3.59Å; V594-W683 WeakPolarHBondContact CA-O 3.3Å; V594-W683 HydrophobicContact CG1-CD2 4.49Å; V594-W683 HydrophobicContact CG1-CE3 4.44Å; V594-W683 HydrophobicContact CG2-CD2 4.46Å; V594-W683 HydrophobicContact CG2-CE3 3.77Å; V594-W683 HydrophobicContact CG2-CZ3 4.39Å; V594-I685 HydrophobicContact CG1-CD1 3.5Å; V594-I685 VanDerWaalsContact CG1-CD1 3.5Å; V594-I685 HydrophobicContact CG1-CG1 3.96Å
595	H	91.8	Very high	83	Confident	40 Å²	40	57.7 Å²	57.7	19%	0.185	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.2	-178.2	-72.3	-156.7	0	0	0	108.6	S593 P618 P682 W683 V684 I685	S593-H595 PolarHBondContact OG-CD2 2.91Å; S593-H595 VanDerWaalsContact OG-CD2 3.29Å; S593-H595 PolarHBondContact OG-NE2 3.43Å; S593-H595 VanDerWaalsContact OG-NE2 3.08Å; H595-P618 HydrophobicContact CB-CB 3.89Å; H595-P618 HydrophobicContact CB-CG 4.07Å; H595-P682 WeakPolarHBondContact CE1-CG 3.47Å; H595-P682 WeakPolarHBondContact NE2-CB 3.25Å; H595-W683 PolarHBondContact N-O 3.02Å; H595-V684 HydrophobicContact CB-CG2 4.27Å; H595-V684 WeakPolarHBondContact O-CA 3.23Å; H595-I685 PolarHBondContact O-N 2.94Å
596	V	91.8	Very high	82.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.8	-178.5	-177.8	0	0	0	0	110.1	V594 P618 R619 F621 F636 F640 I685 L687	V594-V596 HydrophobicContact CG1-CG2 4.35Å; V596-P618 WeakPolarHBondContact O-CA 3.46Å; V596-R619 PolarHBondContact N-O 2.64Å; V596-R619 PolarHBondContact O-N 3.16Å; V596-F621 HydrophobicContact CB-CD2 4.39Å; V596-F621 HydrophobicContact CB-CE2 4.24Å; V596-F621 HydrophobicContact CG2-CD2 3.69Å; V596-F621 HydrophobicContact CG2-CE2 3.88Å; V596-F636 HydrophobicContact CG2-CD1 4.41Å; V596-F636 HydrophobicContact CG2-CE1 3.6Å; V596-F636 HydrophobicContact CG2-CE2 4.42Å; V596-F636 HydrophobicContact CG2-CZ 3.6Å; V596-F640 HydrophobicContact CB-CZ 4.28Å; V596-F640 HydrophobicContact CG1-CE2 4.14Å; V596-F640 HydrophobicContact CG1-CZ 3.75Å; V596-I685 CarbonylContact C-O 3.09Å; V596-I685 VanDerWaalsContact CA-O 3.31Å; V596-I685 WeakPolarHBondContact CA-O 3.35Å; V596-L687 HydrophobicContact CG1-CB 3.5Å; V596-L687 VanDerWaalsContact CG1-CB 3.5Å; V596-L687 HydrophobicContact CG1-CD2 3.89Å; V596-L687 HydrophobicContact CG1-CG 4.37Å
597	I	91	Very high	82.7	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.6	176.6	-56.7	178.4	0	0	0	108.3	N601 F602 F611 L613 P618 V684 I685 W686 L687	I597-N601 HydrophobicContact CG2-CB 4.09Å; I597-F602 HydrophobicContact CG2-CE1 3.81Å; I597-F602 HydrophobicContact CG2-CZ 4.45Å; I597-F611 HydrophobicContact CD1-CD2 3.67Å; I597-F611 HydrophobicContact CD1-CE1 4.34Å; I597-F611 HydrophobicContact CD1-CE2 3.21Å; I597-F611 HydrophobicContact CD1-CG 4.39Å; I597-F611 HydrophobicContact CD1-CZ 3.6Å; I597-L613 HydrophobicContact CD1-CD2 3.86Å; I597-P618 HydrophobicContact CG1-CB 4.31Å; I597-V684 HydrophobicContact CD1-CG1 3.59Å; I597-V684 HydrophobicContact CG1-CG1 4.19Å; I597-I685 PolarHBondContact N-O 3.17Å; I597-W686 WeakPolarHBondContact O-CA 3.45Å; I597-W686 VanDerWaalsContact O-CD1 3.3Å; I597-L687 PolarHBondContact O-N 3.41Å
598	L	90	Very high	82.5	Confident	27 Å²	27	55.1 Å²	55.1	14%	0.141	27%	0.273	C	S	.	.			trans	-109.8	164.3	177.4	-65.2	-177.6	0	0	0	110.9	E600 N601 F640 L687 L689	L598-E600 VanDerWaalsContact C-N 3.25Å; L598-E600 HydrophobicContact CB-CG 3.93Å; L598-E600 PolarHBondContact O-N 3.47Å; L598-N601 PolarHBondContact N-OD1 2.98Å; L598-N601 VanDerWaalsContact N-OD1 3.1Å; L598-N601 WeakPolarHBondContact O-CB 3.31Å; L598-N601 PolarHBondContact O-N 3.23Å; L598-N601 PolarHBondContact O-OD1 3.21Å; L598-F640 HydrophobicContact CD1-CD1 4.44Å; L598-F640 HydrophobicContact CD1-CE1 3.93Å; L598-F640 HydrophobicContact CD2-CE1 4.05Å; L598-F640 HydrophobicContact CD2-CZ 4.42Å; L598-F640 HydrophobicContact CG-CE1 4.32Å; L598-L687 HydrophobicContact CD2-CB 4.19Å; L598-L687 HydrophobicContact CD2-CD2 4.48Å; L598-L689 HydrophobicContact CD2-CD1 3.91Å; L598-L689 HydrophobicContact CD2-CG 4.29Å
599	E	87.4	Confident	82.8	Confident	21 Å²	21	58.9 Å²	58.9	10%	0.098	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-65.2	-27.5	-179.2	-173.5	163.5	-164.8	0	0	112.9	N601 F602 Y723 C726	E599-N601 PolarHBondContact O-N 2.59Å; E599-F602 HydrophobicContact CB-CD2 4.47Å; E599-F602 HydrophobicContact CG-CD2 4.09Å; E599-F602 VanDerWaalsContact O-CB 3.3Å; E599-F602 WeakPolarHBondContact O-CB 3.43Å; E599-F602 PolarHBondContact O-N 3Å; E599-Y723 HydrophobicContact CG-CE1 3.7Å; E599-Y723 WeakPolarHBondContact OE1-CE1 3.47Å; E599-Y723 PolarHBondContact OE1-OH 3.45Å; E599-C726 PolarHBondContact OE1-N 2.86Å; E599-C726 PolarHBondContact OE1-SG 3.29Å
600	E	84.4	Confident	83.1	Confident	123 Å²	123	52.6 Å²	52.6	58%	0.575	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-57.2	-31.2	174.3	66.3	-168.9	-179.2	0	0	112.8	L598 F602 E603	L598-E600 VanDerWaalsContact C-N 3.25Å; L598-E600 HydrophobicContact CB-CG 3.93Å; L598-E600 PolarHBondContact O-N 3.47Å; E600-F602 PolarHBondContact O-N 3.31Å; E600-F602 VanDerWaalsContact O-N 3.15Å; E600-E603 PolarHBondContact O-N 3.06Å
601	N	83.1	Confident	83.1	Confident	32 Å²	32	49.9 Å²	49.9	17%	0.171	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-69.9	-11.3	178.5	-57	119.3	0	0	0	112.8	I597 L598 E599 V616	I597-N601 HydrophobicContact CG2-CB 4.09Å; L598-N601 PolarHBondContact N-OD1 2.98Å; L598-N601 VanDerWaalsContact N-OD1 3.1Å; L598-N601 WeakPolarHBondContact O-CB 3.31Å; L598-N601 PolarHBondContact O-N 3.23Å; L598-N601 PolarHBondContact O-OD1 3.21Å; E599-N601 PolarHBondContact O-N 2.59Å; N601-V616 HydrophobicContact CB-CG1 4.03Å; N601-V616 HydrophobicContact CB-CG2 4.13Å
602	F	86.5	Confident	82.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-88	-22.2	179.9	-53.7	-16.7	0	0	0	112.7	I597 E599 E600 E604 Q605 L610 F611 W686 F710 Y723	I597-F602 HydrophobicContact CG2-CE1 3.81Å; I597-F602 HydrophobicContact CG2-CZ 4.45Å; E599-F602 HydrophobicContact CB-CD2 4.47Å; E599-F602 HydrophobicContact CG-CD2 4.09Å; E599-F602 VanDerWaalsContact O-CB 3.3Å; E599-F602 WeakPolarHBondContact O-CB 3.43Å; E599-F602 PolarHBondContact O-N 3Å; E600-F602 PolarHBondContact O-N 3.31Å; E600-F602 VanDerWaalsContact O-N 3.15Å; F602-E604 PolarHBondContact O-N 2.73Å; F602-Q605 PolarHBondContact O-N 2.94Å; F602-L610 WeakPolarHBondContact CA-O 3.46Å; F602-L610 HydrophobicContact CD1-CB 4.06Å; F602-L610 HydrophobicContact CE1-CB 4.32Å; F602-L610 HydrophobicContact CG-CB 4.23Å; F602-F611 HydrophobicContact CD1-CB 4.14Å; F602-F611 AromaticContact CD1-CD1 3.87Å; F602-F611 HydrophobicContact CD1-CD1 3.87Å; F602-F611 HydrophobicContact CD1-CG 4.44Å; F602-F611 HydrophobicContact CE1-CB 4.29Å; F602-F611 AromaticContact CE1-CD1 3.33Å; F602-F611 HydrophobicContact CE1-CD1 3.33Å; F602-F611 AromaticContact CE1-CE1 3.94Å; F602-F611 HydrophobicContact CE1-CE1 3.94Å; F602-F611 HydrophobicContact CE1-CG 4.12Å; F602-F611 HydrophobicContact CZ-CD1 4.19Å; F602-F611 HydrophobicContact CZ-CE1 4.43Å; F602-W686 AromaticContact CE2-CD1 3.95Å; F602-W686 HydrophobicContact CE2-CD2 4.23Å; F602-W686 AromaticContact CE2-CE2 3.74Å; F602-W686 HydrophobicContact CE2-CG 4.39Å; F602-W686 HydrophobicContact CE2-CZ2 4.17Å; F602-W686 AromaticContact CE2-NE1 3.52Å; F602-W686 AromaticContact CZ-CD1 3.49Å; F602-W686 VanDerWaalsContact CZ-CD1 3.49Å; F602-W686 HydrophobicContact CZ-CD2 4.15Å; F602-W686 AromaticContact CZ-CG 3.87Å; F602-W686 HydrophobicContact CZ-CG 3.87Å; F602-W686 AromaticContact CZ-NE1 3.58Å; F602-F710 HydrophobicContact CD2-CE1 4.31Å; F602-F710 AromaticContact CE2-CE1 3.87Å; F602-F710 HydrophobicContact CE2-CE1 3.87Å; F602-F710 HydrophobicContact CE2-CZ 4.45Å; F602-Y723 HydrophobicContact CB-CD1 3.95Å; F602-Y723 HydrophobicContact CB-CD2 4.39Å; F602-Y723 HydrophobicContact CB-CE1 4.02Å; F602-Y723 HydrophobicContact CB-CE2 4.46Å; F602-Y723 HydrophobicContact CB-CG 4.13Å; F602-Y723 HydrophobicContact CD2-CE1 4.23Å; F602-Y723 HydrophobicContact CD2-CE2 4.39Å; F602-Y723 AromaticContact CD2-CZ 3.91Å
603	E	75.5	Confident	82.1	Confident	113 Å²	113	49.1 Å²	49.1	53%	0.528	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.3	-174.1	-64.9	-174.1	177.3	0	0	112.9	E600 Q605 Y723	E600-E603 PolarHBondContact O-N 3.06Å; E603-Q605 VanDerWaalsContact C-N 3.31Å; E603-Q605 PolarHBondContact O-N 3.04Å; E603-Y723 HydrophobicContact CG-CD1 4.16Å
604	E	66.1	Low	81.4	Confident	158 Å²	158	54.9 Å²	54.9	74%	0.738	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.9	-177.9	-61.1	-176	162.7	0	0	113.7	F602	F602-E604 PolarHBondContact O-N 2.73Å
605	Q	74	Confident	80.6	Confident	24 Å²	24	61 Å²	61	11%	0.112	28%	0.278	C	S	.	.			trans	-94.5	113.9	-175.9	-75.4	-49.3	-52.6	0	0	114.7	F602 E603 L610	F602-Q605 PolarHBondContact O-N 2.94Å; E603-Q605 VanDerWaalsContact C-N 3.31Å; E603-Q605 PolarHBondContact O-N 3.04Å; Q605-L610 WeakPolarHBondContact CB-O 3.46Å; Q605-L610 WeakPolarHBondContact CG-O 3.26Å
606	H	72.1	Confident	80.1	Confident	83 Å²	83	60 Å²	60	38%	0.384	28%	0.275	S	S	.	.			trans	-89.8	-3.7	174.2	-54.6	-46.4	0	0	0	114	L721 Y807	H606-L721 PolarHBondContact ND1-O 3.04Å; H606-L721 VanDerWaalsContact ND1-O 3.17Å; H606-Y807 PolarHBondContact O-OH 2.85Å
607	K	75.6	Confident	79.6	Confident	100 Å²	100	68.1 Å²	68.1	44%	0.435	31%	0.312	S	S	.	.	S	Bend	trans	-87.4	176	-178.8	-65	-177	179.9	180	0	112.2	R609 K712	K607-R609 VanDerWaalsContact C-N 3.32Å; K607-R609 PolarHBondContact O-N 3.27Å; K607-K712 PolarHBondContact O-NZ 2.98Å
608	R	76.3	Confident	79.4	Confident	60 Å²	60	69.6 Å²	69.6	23%	0.226	32%	0.322	C	S	.	.	S	Bend	trans	-53	-48.7	174.4	-71.1	-177	-177.3	-138.6	5.6	111.9	K712 E759 D762 F808	R608-K712 PolarHBondContact O-NZ 3.32Å; R608-E759 HydrophobicContact CB-CG 4.35Å; R608-D762 IonicContact CZ-OD1 3.65Å; R608-D762 IonicContact NH1-OD1 3.21Å; R608-D762 PolarHBondContact NH1-OD1 2.84Å; R608-D762 IonicContact NH2-OD1 3.68Å; R608-D762 PolarHBondContact NH2-OD1 3.17Å; R608-F808 HydrophobicContact CB-CE1 4.39Å; R608-F808 HydrophobicContact CB-CZ 4.38Å; R608-F808 HydrophobicContact CG-CD1 3.84Å; R608-F808 HydrophobicContact CG-CE1 3.39Å; R608-F808 HydrophobicContact CG-CE2 4.16Å; R608-F808 HydrophobicContact CG-CG 4.36Å; R608-F808 HydrophobicContact CG-CZ 3.57Å
609	R	79.9	Confident	79.4	Confident	116 Å²	116	74 Å²	74	44%	0.438	34%	0.337	S	S	.	.	S	Bend	trans	-66.2	155.4	180	-69.9	-178.2	-177.3	170.5	6.7	113.2	K607 Q656 K712	K607-R609 VanDerWaalsContact C-N 3.32Å; K607-R609 PolarHBondContact O-N 3.27Å; R609-Q656 PolarHBondContact NE-O 3.11Å; R609-Q656 VanDerWaalsContact NE-O 3.13Å; R609-Q656 PolarHBondContact NH2-O 3.39Å; R609-K712 PolarHBondContact O-NZ 3.35Å
610	L	82.3	Confident	79.5	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-71.3	-38.7	174.4	-62.6	169.5	0	0	0	112.3	F602 Q605 Q658 F660 F710 Y723 I787	F602-L610 WeakPolarHBondContact CA-O 3.46Å; F602-L610 HydrophobicContact CD1-CB 4.06Å; F602-L610 HydrophobicContact CE1-CB 4.32Å; F602-L610 HydrophobicContact CG-CB 4.23Å; Q605-L610 WeakPolarHBondContact CB-O 3.46Å; Q605-L610 WeakPolarHBondContact CG-O 3.26Å; L610-Q658 VanDerWaalsContact CB-OE1 3.3Å; L610-F660 HydrophobicContact CD1-CE2 3.78Å; L610-F660 HydrophobicContact CD1-CZ 4.28Å; L610-F710 HydrophobicContact CD1-CD1 4.08Å; L610-F710 HydrophobicContact CD1-CD2 3.67Å; L610-F710 HydrophobicContact CD1-CE1 4.04Å; L610-F710 HydrophobicContact CD1-CE2 3.62Å; L610-F710 HydrophobicContact CD1-CG 3.9Å; L610-F710 HydrophobicContact CD1-CZ 3.81Å; L610-F710 HydrophobicContact CD2-CB 3.9Å; L610-F710 HydrophobicContact CD2-CD1 4Å; L610-F710 HydrophobicContact CD2-CD2 4.39Å; L610-F710 HydrophobicContact CD2-CG 3.85Å; L610-Y723 HydrophobicContact CD2-CD2 4.49Å; L610-Y723 HydrophobicContact CD2-CE2 4.26Å; L610-I787 HydrophobicContact CD1-CD1 4.46Å; L610-I787 HydrophobicContact CD2-CD1 4.01Å; L610-I787 HydrophobicContact CD2-CG1 4.21Å; L610-I787 HydrophobicContact CG-CD1 3.84Å; L610-I787 HydrophobicContact CG-CG1 4.37Å
611	F	82.3	Confident	79.9	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.009	33%	0.331	C	S	.	.			trans	-146.1	167.9	178.7	56.8	-82.8	0	0	0	111.9	I597 F602 L613 V616 L652 Q658 F660	I597-F611 HydrophobicContact CD1-CD2 3.67Å; I597-F611 HydrophobicContact CD1-CE1 4.34Å; I597-F611 HydrophobicContact CD1-CE2 3.21Å; I597-F611 HydrophobicContact CD1-CG 4.39Å; I597-F611 HydrophobicContact CD1-CZ 3.6Å; F602-F611 HydrophobicContact CD1-CB 4.14Å; F602-F611 AromaticContact CD1-CD1 3.87Å; F602-F611 HydrophobicContact CD1-CD1 3.87Å; F602-F611 HydrophobicContact CD1-CG 4.44Å; F602-F611 HydrophobicContact CE1-CB 4.29Å; F602-F611 AromaticContact CE1-CD1 3.33Å; F602-F611 HydrophobicContact CE1-CD1 3.33Å; F602-F611 AromaticContact CE1-CE1 3.94Å; F602-F611 HydrophobicContact CE1-CE1 3.94Å; F602-F611 HydrophobicContact CE1-CG 4.12Å; F602-F611 HydrophobicContact CZ-CD1 4.19Å; F602-F611 HydrophobicContact CZ-CE1 4.43Å; F611-L613 HydrophobicContact CD2-CD2 4.14Å; F611-L613 HydrophobicContact CD2-CG 4.1Å; F611-L613 HydrophobicContact CE2-CD1 4.46Å; F611-L613 HydrophobicContact CE2-CD2 3.61Å; F611-L613 HydrophobicContact CE2-CG 3.67Å; F611-V616 HydrophobicContact CB-CG2 3.91Å; F611-L652 HydrophobicContact CE2-CD2 4.44Å; F611-L652 HydrophobicContact CZ-CD1 4.2Å; F611-L652 HydrophobicContact CZ-CD2 4.09Å; F611-Q658 PolarHBondContact O-NE2 3.17Å; F611-F660 HydrophobicContact CE1-CE1 4.48Å; F611-F660 AromaticContact CE1-CZ 3.96Å; F611-F660 HydrophobicContact CE1-CZ 3.96Å
612	D	77.5	Confident	80.2	Confident	30 Å²	30	78.3 Å²	78.3	16%	0.16	35%	0.353	C	S	.	.			trans	-117	113.8	170.2	-168	-15.7	0	0	0	108.5	E614 K615 V616	D612-E614 PolarHBondContact O-N 3.37Å; D612-E614 VanDerWaalsContact O-N 3.16Å; D612-E614 PolarHBondContact OD1-N 3.46Å; D612-K615 HydrophobicContact CB-CB 4.14Å; D612-K615 HydrophobicContact CB-CD 4.39Å; D612-K615 HydrophobicContact CB-CG 4.17Å; D612-K615 PolarHBondContact O-N 3.05Å; D612-V616 WeakPolarHBondContact O-CB 3.27Å; D612-V616 WeakPolarHBondContact O-CG2 3.22Å; D612-V616 PolarHBondContact O-N 2.95Å
613	L	75.9	Confident	80.4	Confident	63 Å²	63	78.3 Å²	78.3	33%	0.33	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.5	-176.6	-81.9	170.6	0	0	0	113	I597 F611 L652 A655 V684	I597-L613 HydrophobicContact CD1-CD2 3.86Å; F611-L613 HydrophobicContact CD2-CD2 4.14Å; F611-L613 HydrophobicContact CD2-CG 4.1Å; F611-L613 HydrophobicContact CE2-CD1 4.46Å; F611-L613 HydrophobicContact CE2-CD2 3.61Å; F611-L613 HydrophobicContact CE2-CG 3.67Å; L613-L652 HydrophobicContact CD1-CD2 4.2Å; L613-A655 HydrophobicContact CD1-CB 3.81Å; L613-V684 HydrophobicContact CD2-CG1 4.19Å; L613-V684 HydrophobicContact CD2-CG2 4.44Å
614	E	73.7	Confident	81	Confident	157 Å²	157	76.9 Å²	76.9	73%	0.734	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-23.5	178.8	-64	-177.2	174.5	0	0	112.5	D612	D612-E614 PolarHBondContact O-N 3.37Å; D612-E614 VanDerWaalsContact O-N 3.16Å; D612-E614 PolarHBondContact OD1-N 3.46Å
615	K	75.4	Confident	82	Confident	130 Å²	130	72 Å²	72	57%	0.565	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-27.9	-178.4	-58.1	-171	178.2	-161.1	0	113.4	D612 H617	D612-K615 HydrophobicContact CB-CB 4.14Å; D612-K615 HydrophobicContact CB-CD 4.39Å; D612-K615 HydrophobicContact CB-CG 4.17Å; D612-K615 PolarHBondContact O-N 3.05Å; K615-H617 PolarHBondContact O-ND1 2.88Å
616	V	81.6	Confident	82.8	Confident	19 Å²	19	76.3 Å²	76.3	12%	0.115	35%	0.346	C	S	.	.			trans	-75.1	138.9	178.3	170.4	0	0	0	0	109.6	N601 F611 D612 P618	N601-V616 HydrophobicContact CB-CG1 4.03Å; N601-V616 HydrophobicContact CB-CG2 4.13Å; F611-V616 HydrophobicContact CB-CG2 3.91Å; D612-V616 WeakPolarHBondContact O-CB 3.27Å; D612-V616 WeakPolarHBondContact O-CG2 3.22Å; D612-V616 PolarHBondContact O-N 2.95Å; V616-P618 WeakPolarHBondContact O-CD 3.48Å
617	H	81.8	Confident	83.7	Confident	171 Å²	171	74.9 Å²	74.9	79%	0.792	34%	0.34	S	S	*	.			trans	-97	89.2	173.3	-64.4	77.6	0	0	0	108.4	K615	K615-H617 PolarHBondContact O-ND1 2.88Å
618	P	86.2	Confident	84.6	Confident	33 Å²	33	71.9 Å²	71.9	21%	0.214	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68	149.5	-179.2	30	-36.4	0	0	0	110.4	H595 V596 I597 V616 V620	H595-P618 HydrophobicContact CB-CB 3.89Å; H595-P618 HydrophobicContact CB-CG 4.07Å; V596-P618 WeakPolarHBondContact O-CA 3.46Å; I597-P618 HydrophobicContact CG1-CB 4.31Å; V616-P618 WeakPolarHBondContact O-CD 3.48Å; P618-V620 PolarHBondContact O-N 3.32Å
619	R	89.1	Confident	85.3	Confident	119 Å²	119	69 Å²	69	45%	0.449	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	116.5	171	-163.1	169.6	-175.9	-175.4	-3.1	109.1	V596 F621 G639 F640	V596-R619 PolarHBondContact N-O 2.64Å; V596-R619 PolarHBondContact O-N 3.16Å; R619-F621 HydrophobicContact CB-CE2 4.22Å; R619-F621 HydrophobicContact CG-CE2 3.83Å; R619-F621 HydrophobicContact CG-CZ 4.23Å; R619-G639 VanDerWaalsContact CZ-O 3.22Å; R619-G639 PolarHBondContact NH1-O 3.03Å; R619-G639 PolarHBondContact NH2-O 2.95Å; R619-F640 HydrophobicContact CB-CZ 4.44Å
620	V	90.9	Very high	85.9	Confident	75 Å²	75	66.2 Å²	66.2	46%	0.455	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.1	-173	-177.4	0	0	0	0	111.2	S593 V594 P618	S593-V620 WeakPolarHBondContact OG-CG1 3.42Å; V594-V620 WeakPolarHBondContact O-CA 3.38Å; P618-V620 PolarHBondContact O-N 3.32Å
621	F	91.6	Very high	86.4	Confident	24 Å²	24	70 Å²	70	11%	0.105	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.2	171.6	-66	-96.3	0	0	0	109.7	V594 V596 R619 L635 F636 F640	V594-F621 HydrophobicContact CB-CB 4.47Å; V594-F621 PolarHBondContact N-O 2.83Å; V594-F621 PolarHBondContact O-N 3.48Å; V596-F621 HydrophobicContact CB-CD2 4.39Å; V596-F621 HydrophobicContact CB-CE2 4.24Å; V596-F621 HydrophobicContact CG2-CD2 3.69Å; V596-F621 HydrophobicContact CG2-CE2 3.88Å; R619-F621 HydrophobicContact CB-CE2 4.22Å; R619-F621 HydrophobicContact CG-CE2 3.83Å; R619-F621 HydrophobicContact CG-CZ 4.23Å; F621-L635 HydrophobicContact CD1-CB 4.34Å; F621-F636 HydrophobicContact CB-CE1 4.13Å; F621-F636 HydrophobicContact CD1-CD1 4.1Å; F621-F636 HydrophobicContact CD1-CE1 4.22Å; F621-F636 AromaticContact CD2-CD1 3.97Å; F621-F636 HydrophobicContact CD2-CD1 3.97Å; F621-F636 AromaticContact CD2-CE1 3.58Å; F621-F636 HydrophobicContact CD2-CE1 3.58Å; F621-F636 HydrophobicContact CE1-CD1 4.07Å; F621-F636 AromaticContact CE2-CD1 3.94Å; F621-F636 HydrophobicContact CE2-CD1 3.94Å; F621-F636 AromaticContact CE2-CE1 3.97Å; F621-F636 HydrophobicContact CE2-CE1 3.97Å; F621-F636 HydrophobicContact CG-CD1 4.05Å; F621-F636 AromaticContact CG-CE1 3.72Å; F621-F636 HydrophobicContact CG-CE1 3.72Å; F621-F636 AromaticContact CZ-CD1 3.99Å; F621-F636 HydrophobicContact CZ-CD1 3.99Å; F621-F636 HydrophobicContact CZ-CE1 4.44Å; F621-F640 AromaticContact CE2-CE2 3.67Å; F621-F640 HydrophobicContact CE2-CE2 3.67Å; F621-F640 AromaticContact CE2-CZ 3.79Å; F621-F640 HydrophobicContact CE2-CZ 3.79Å; F621-F640 HydrophobicContact CZ-CD2 4.3Å; F621-F640 AromaticContact CZ-CE2 3.58Å; F621-F640 HydrophobicContact CZ-CE2 3.58Å; F621-F640 AromaticContact CZ-CZ 3.94Å; F621-F640 HydrophobicContact CZ-CZ 3.94Å
622	R	90.1	Very high	86.9	Confident	167 Å²	167	69.9 Å²	69.9	63%	0.63	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.3	175.7	-61.4	-175	76.1	139.9	2.7	109.2	Y591	Y591-R622 HydrophobicContact CD1-CB 4.38Å
623	I	90.5	Very high	87.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.3	179.7	-167.5	168.7	0	0	0	109.9	Y591 V592 V594 Q627 L632 L635 I673	Y591-I623 CarbonylContact C-O 3.45Å; Y591-I623 WeakPolarHBondContact CA-O 3.44Å; V592-I623 HydrophobicContact CB-CG2 4.39Å; V592-I623 PolarHBondContact N-O 3.37Å; V592-I623 PolarHBondContact O-N 3.08Å; V592-I623 VanDerWaalsContact O-N 3.13Å; V594-I623 HydrophobicContact CG2-CG2 4.06Å; I623-Q627 HydrophobicContact CD1-CB 3.98Å; I623-Q627 HydrophobicContact CG1-CB 3.81Å; I623-Q627 VanDerWaalsContact CG1-OE1 3.29Å; I623-L632 HydrophobicContact CB-CD1 4.36Å; I623-L632 HydrophobicContact CD1-CB 3.51Å; I623-L632 HydrophobicContact CD1-CD1 3.94Å; I623-L632 HydrophobicContact CD1-CG 4.27Å; I623-L632 HydrophobicContact CG2-CD1 4.23Å; I623-L635 HydrophobicContact CD1-CD1 4.34Å; I623-L635 HydrophobicContact CG1-CD1 4.47Å; I623-I673 HydrophobicContact CD1-CD1 4.28Å; I623-I673 HydrophobicContact CD1-CG1 3.92Å; I623-I673 HydrophobicContact CG1-CG1 4.32Å; I623-I673 HydrophobicContact CG2-CG1 3.97Å; I623-I673 HydrophobicContact CG2-CG2 4.34Å
624	K	88.3	Confident	88.4	Confident	83 Å²	83	68.3 Å²	68.3	36%	0.361	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	148.3	176.6	-64.1	-179.2	176.7	-179.9	0	110.9	T590 Y591 N626 Q627	T590-K624 WeakPolarHBondContact O-CA 3.29Å; Y591-K624 HydrophobicContact CD1-CG 3.81Å; Y591-K624 HydrophobicContact CE1-CD 4.32Å; Y591-K624 HydrophobicContact CE1-CG 3.39Å; Y591-K624 HydrophobicContact CE2-CG 4.32Å; Y591-K624 HydrophobicContact CG-CG 4.44Å; Y591-K624 VanDerWaalsContact CZ-CE 3.47Å; Y591-K624 WeakPolarHBondContact OH-CE 3.47Å; K624-N626 WeakPolarHBondContact CB-OD1 3.26Å; K624-N626 PolarHBondContact O-N 3.15Å; K624-Q627 HydrophobicContact CB-CG 4.05Å; K624-Q627 WeakPolarHBondContact O-CB 3.38Å; K624-Q627 PolarHBondContact O-N 3.12Å; K624-Q627 VanDerWaalsContact O-N 3.12Å
625	Q	87.9	Confident	89.3	Confident	57 Å²	57	63.2 Å²	63.2	27%	0.266	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.9	178.4	-78.1	170	5.6	0	0	113.2	N589 T590 V592 I673 E674	N589-Q625 PolarHBondContact O-NE2 3.19Å; N589-Q625 VanDerWaalsContact O-NE2 3.08Å; T590-Q625 WeakPolarHBondContact O-CB 3.47Å; T590-Q625 VanDerWaalsContact O-CG 3.29Å; T590-Q625 WeakPolarHBondContact O-CG 3.21Å; T590-Q625 PolarHBondContact O-N 3.2Å; V592-Q625 HydrophobicContact CG2-CG 3.6Å; Q625-I673 PolarHBondContact O-N 3.13Å; Q625-E674 HydrophobicContact CB-CB 4.15Å; Q625-E674 WeakPolarHBondContact O-CB 3.41Å; Q625-E674 PolarHBondContact O-N 3.46Å
626	N	89	Confident	90.1	Very high	113 Å²	113	57.1 Å²	57.1	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.8	179.8	69.6	-20	0	0	0	114.5	K624	K624-N626 WeakPolarHBondContact CB-OD1 3.26Å; K624-N626 PolarHBondContact O-N 3.15Å
627	Q	91.9	Very high	90.6	Very high	54 Å²	54	57.9 Å²	57.9	25%	0.252	28%	0.278	S	S	.	.	S	Bend	trans	-77.6	158.4	174.1	-75.9	-178.8	-63.8	0	0	110.7	I623 K624 E631 T672 I673	I623-Q627 HydrophobicContact CD1-CB 3.98Å; I623-Q627 HydrophobicContact CG1-CB 3.81Å; I623-Q627 VanDerWaalsContact CG1-OE1 3.29Å; K624-Q627 HydrophobicContact CB-CG 4.05Å; K624-Q627 WeakPolarHBondContact O-CB 3.38Å; K624-Q627 PolarHBondContact O-N 3.12Å; K624-Q627 VanDerWaalsContact O-N 3.12Å; Q627-E631 VanDerWaalsContact CA-OE2 3.26Å; Q627-E631 WeakPolarHBondContact CA-OE2 3.33Å; Q627-E631 WeakPolarHBondContact CB-OE2 3.3Å; Q627-E631 WeakPolarHBondContact CG-OE2 3.38Å; Q627-T672 CarbonylContact O-C 3.56Å; Q627-T672 VanDerWaalsContact O-CA 3.22Å; Q627-T672 WeakPolarHBondContact O-CA 3.25Å; Q627-I673 WeakPolarHBondContact O-CG1 3.48Å; Q627-I673 PolarHBondContact O-N 2.82Å
628	T	93.7	Very high	91.1	Very high	37 Å²	37	58.4 Å²	58.4	23%	0.227	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-88.4	161.8	-175.5	59.8	0	0	0	0	112.6	D630 E631 L632 G669 R671	T628-D630 VanDerWaalsContact C-N 3.26Å; T628-D630 PolarHBondContact O-N 3.12Å; T628-E631 PolarHBondContact N-OE2 2.97Å; T628-E631 PolarHBondContact O-N 2.72Å; T628-E631 WeakPolarHBondContact OG1-CG 3.36Å; T628-E631 PolarHBondContact OG1-N 2.78Å; T628-E631 PolarHBondContact OG1-OE2 3.35Å; T628-E631 VanDerWaalsContact OG1-OE2 3.12Å; T628-L632 PolarHBondContact O-N 3.1Å; T628-G669 WeakPolarHBondContact CB-O 3.5Å; T628-R671 VanDerWaalsContact CA-O 3.27Å; T628-R671 WeakPolarHBondContact CA-O 3.4Å
629	V	91.8	Very high	91.3	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-35.6	173	174	0	0	0	0	111.2	E631 L632 V633 F663 F665 G669 R671 I673 I676	V629-E631 VanDerWaalsContact C-N 3.32Å; V629-E631 PolarHBondContact O-N 3.21Å; V629-L632 WeakPolarHBondContact O-CB 3.34Å; V629-L632 PolarHBondContact O-N 2.82Å; V629-L632 VanDerWaalsContact O-N 3.15Å; V629-V633 HydrophobicContact CG1-CG2 4.38Å; V629-V633 WeakPolarHBondContact O-CG2 3.42Å; V629-V633 PolarHBondContact O-N 3.44Å; V629-F663 HydrophobicContact CG1-CE1 3.76Å; V629-F663 HydrophobicContact CG1-CZ 4.14Å; V629-F663 HydrophobicContact CG2-CZ 4.13Å; V629-F665 HydrophobicContact CG1-CB 3.79Å; V629-G669 PolarHBondContact N-O 3.15Å; V629-R671 PolarHBondContact N-O 3.27Å; V629-I673 HydrophobicContact CG2-CD1 3.95Å; V629-I676 HydrophobicContact CG2-CD1 4.03Å; V629-I676 HydrophobicContact CG2-CG1 4.02Å
630	D	92.5	Very high	91.3	Very high	56 Å²	56	54 Å²	54	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-42.2	175	-96.4	-43.2	0	0	0	112.5	T628 L632 V633 D634 R644 G669	T628-D630 VanDerWaalsContact C-N 3.26Å; T628-D630 PolarHBondContact O-N 3.12Å; D630-L632 VanDerWaalsContact C-N 3.32Å; D630-L632 PolarHBondContact O-N 3.28Å; D630-V633 PolarHBondContact O-N 2.79Å; D630-D634 PolarHBondContact O-N 3.16Å; D630-R644 IonicContact OD1-CZ 3.35Å; D630-R644 IonicContact OD1-NH1 3.66Å; D630-R644 PolarHBondContact OD1-NH1 2.89Å; D630-R644 IonicContact OD1-NH2 3.6Å; D630-G669 PolarHBondContact N-O 3.25Å; D630-G669 VanDerWaalsContact N-O 3.1Å
631	E	92.9	Very high	91.1	Very high	79 Å²	79	53.7 Å²	53.7	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-34.6	176.6	-70.2	171.4	120.1	0	0	112.1	Q627 T628 V629 D634 L635	Q627-E631 VanDerWaalsContact CA-OE2 3.26Å; Q627-E631 WeakPolarHBondContact CA-OE2 3.33Å; Q627-E631 WeakPolarHBondContact CB-OE2 3.3Å; Q627-E631 WeakPolarHBondContact CG-OE2 3.38Å; T628-E631 PolarHBondContact N-OE2 2.97Å; T628-E631 PolarHBondContact O-N 2.72Å; T628-E631 WeakPolarHBondContact OG1-CG 3.36Å; T628-E631 PolarHBondContact OG1-N 2.78Å; T628-E631 PolarHBondContact OG1-OE2 3.35Å; T628-E631 VanDerWaalsContact OG1-OE2 3.12Å; V629-E631 VanDerWaalsContact C-N 3.32Å; V629-E631 PolarHBondContact O-N 3.21Å; E631-D634 PolarHBondContact O-N 3.02Å; E631-L635 WeakPolarHBondContact O-CG 3.21Å; E631-L635 PolarHBondContact O-N 3.09Å; E631-L635 VanDerWaalsContact O-N 3.1Å
632	L	92.8	Very high	90.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-45.5	172.1	-177.9	60.6	0	0	0	111.3	V594 I623 T628 V629 D630 D634 L635 F636 M649 I673 W683	V594-L632 HydrophobicContact CG2-CD1 4.22Å; V594-L632 HydrophobicContact CG2-CD2 4.49Å; I623-L632 HydrophobicContact CB-CD1 4.36Å; I623-L632 HydrophobicContact CD1-CB 3.51Å; I623-L632 HydrophobicContact CD1-CD1 3.94Å; I623-L632 HydrophobicContact CD1-CG 4.27Å; I623-L632 HydrophobicContact CG2-CD1 4.23Å; T628-L632 PolarHBondContact O-N 3.1Å; V629-L632 WeakPolarHBondContact O-CB 3.34Å; V629-L632 PolarHBondContact O-N 2.82Å; V629-L632 VanDerWaalsContact O-N 3.15Å; D630-L632 VanDerWaalsContact C-N 3.32Å; D630-L632 PolarHBondContact O-N 3.28Å; L632-D634 VanDerWaalsContact C-N 3.31Å; L632-D634 PolarHBondContact O-N 2.97Å; L632-L635 WeakPolarHBondContact O-CB 2.87Å; L632-L635 PolarHBondContact O-N 3.43Å; L632-L635 VanDerWaalsContact O-N 3.12Å; L632-F636 HydrophobicContact CD1-CE1 3.78Å; L632-F636 HydrophobicContact CD1-CE2 4.47Å; L632-F636 HydrophobicContact CD1-CZ 3.75Å; L632-F636 HydrophobicContact CD2-CE2 4.39Å; L632-F636 HydrophobicContact CD2-CZ 4.18Å; L632-F636 HydrophobicContact CG-CE1 4.24Å; L632-F636 HydrophobicContact CG-CE2 4.05Å; L632-F636 HydrophobicContact CG-CZ 3.81Å; L632-F636 PolarHBondContact O-N 2.87Å; L632-M649 HydrophobicContact CD2-CE 4.4Å; L632-I673 HydrophobicContact CB-CD1 4.38Å; L632-I673 HydrophobicContact CD2-CD1 4.2Å; L632-W683 HydrophobicContact CD2-CH2 3.97Å; L632-W683 HydrophobicContact CD2-CZ3 3.74Å
633	V	92.2	Very high	90.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-38.1	179.3	174.5	0	0	0	0	110.5	V629 D630 L635 F636 V637 R644 M649 F665	V629-V633 HydrophobicContact CG1-CG2 4.38Å; V629-V633 WeakPolarHBondContact O-CG2 3.42Å; V629-V633 PolarHBondContact O-N 3.44Å; D630-V633 PolarHBondContact O-N 2.79Å; V633-L635 VanDerWaalsContact C-N 3.29Å; V633-L635 PolarHBondContact O-N 2.72Å; V633-F636 CarbonylContact O-C 3.52Å; V633-F636 WeakPolarHBondContact O-CA 3.46Å; V633-F636 WeakPolarHBondContact O-CB 3.2Å; V633-F636 PolarHBondContact O-N 2.92Å; V633-V637 HydrophobicContact CG1-CG2 4.38Å; V633-V637 WeakPolarHBondContact O-CG2 3.3Å; V633-V637 PolarHBondContact O-N 3.46Å; V633-R644 HydrophobicContact CG1-CG 3.96Å; V633-M649 HydrophobicContact CG2-SD 3.97Å; V633-F665 HydrophobicContact CB-CD2 4.38Å; V633-F665 HydrophobicContact CG1-CD2 4.05Å; V633-F665 HydrophobicContact CG1-CE2 3.91Å; V633-F665 HydrophobicContact CG2-CB 3.83Å; V633-F665 HydrophobicContact CG2-CD2 3.55Å; V633-F665 HydrophobicContact CG2-CE2 4.24Å; V633-F665 HydrophobicContact CG2-CG 3.73Å
634	D	92.4	Very high	90.6	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-29.1	173.8	-76.5	-24.3	0	0	0	113.6	D630 E631 L632 R638 R644	D630-D634 PolarHBondContact O-N 3.16Å; E631-D634 PolarHBondContact O-N 3.02Å; L632-D634 VanDerWaalsContact C-N 3.31Å; L632-D634 PolarHBondContact O-N 2.97Å; D634-R638 WeakPolarHBondContact O-CB 3.41Å; D634-R638 WeakPolarHBondContact O-CG 3.35Å; D634-R638 PolarHBondContact O-N 3.22Å; D634-R638 VanDerWaalsContact O-N 3.13Å; D634-R638 PolarHBondContact O-NE 2.83Å; D634-R638 VanDerWaalsContact O-NE 3.14Å; D634-R644 IonicContact OD1-CZ 2.74Å; D634-R644 VanDerWaalsContact OD1-CZ 3.28Å; D634-R644 IonicContact OD1-NE 2.83Å; D634-R644 PolarHBondContact OD1-NE 3.06Å; D634-R644 VanDerWaalsContact OD1-NE 3.11Å; D634-R644 IonicContact OD1-NH2 3.73Å; D634-R644 PolarHBondContact OD1-NH2 2.91Å; D634-R644 IonicContact OD2-NH2 3.8Å; D634-R644 PolarHBondContact OD2-NH2 3.04Å
635	L	92.4	Very high	90.5	Very high	49 Å²	49	56.2 Å²	56.2	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-40.1	168.6	-70.7	168.3	0	0	0	111.1	F621 I623 E631 L632 V633 G639	F621-L635 HydrophobicContact CD1-CB 4.34Å; I623-L635 HydrophobicContact CD1-CD1 4.34Å; I623-L635 HydrophobicContact CG1-CD1 4.47Å; E631-L635 WeakPolarHBondContact O-CG 3.21Å; E631-L635 PolarHBondContact O-N 3.09Å; E631-L635 VanDerWaalsContact O-N 3.1Å; L632-L635 WeakPolarHBondContact O-CB 2.87Å; L632-L635 PolarHBondContact O-N 3.43Å; L632-L635 VanDerWaalsContact O-N 3.12Å; V633-L635 VanDerWaalsContact C-N 3.29Å; V633-L635 PolarHBondContact O-N 2.72Å; L635-G639 PolarHBondContact O-N 3.22Å
636	F	93.4	Very high	90.5	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-44.4	175.4	-62.7	-16.3	0	0	0	112.2	V594 V596 F621 L632 V633 R638 G639 F640 M647 M649 I685 L687	V594-F636 HydrophobicContact CG1-CZ 4.04Å; V596-F636 HydrophobicContact CG2-CD1 4.41Å; V596-F636 HydrophobicContact CG2-CE1 3.6Å; V596-F636 HydrophobicContact CG2-CE2 4.42Å; V596-F636 HydrophobicContact CG2-CZ 3.6Å; F621-F636 HydrophobicContact CB-CE1 4.13Å; F621-F636 HydrophobicContact CD1-CD1 4.1Å; F621-F636 HydrophobicContact CD1-CE1 4.22Å; F621-F636 AromaticContact CD2-CD1 3.97Å; F621-F636 HydrophobicContact CD2-CD1 3.97Å; F621-F636 AromaticContact CD2-CE1 3.58Å; F621-F636 HydrophobicContact CD2-CE1 3.58Å; F621-F636 HydrophobicContact CE1-CD1 4.07Å; F621-F636 AromaticContact CE2-CD1 3.94Å; F621-F636 HydrophobicContact CE2-CD1 3.94Å; F621-F636 AromaticContact CE2-CE1 3.97Å; F621-F636 HydrophobicContact CE2-CE1 3.97Å; F621-F636 HydrophobicContact CG-CD1 4.05Å; F621-F636 AromaticContact CG-CE1 3.72Å; F621-F636 HydrophobicContact CG-CE1 3.72Å; F621-F636 AromaticContact CZ-CD1 3.99Å; F621-F636 HydrophobicContact CZ-CD1 3.99Å; F621-F636 HydrophobicContact CZ-CE1 4.44Å; L632-F636 HydrophobicContact CD1-CE1 3.78Å; L632-F636 HydrophobicContact CD1-CE2 4.47Å; L632-F636 HydrophobicContact CD1-CZ 3.75Å; L632-F636 HydrophobicContact CD2-CE2 4.39Å; L632-F636 HydrophobicContact CD2-CZ 4.18Å; L632-F636 HydrophobicContact CG-CE1 4.24Å; L632-F636 HydrophobicContact CG-CE2 4.05Å; L632-F636 HydrophobicContact CG-CZ 3.81Å; L632-F636 PolarHBondContact O-N 2.87Å; V633-F636 CarbonylContact O-C 3.52Å; V633-F636 WeakPolarHBondContact O-CA 3.46Å; V633-F636 WeakPolarHBondContact O-CB 3.2Å; V633-F636 PolarHBondContact O-N 2.92Å; F636-R638 VanDerWaalsContact C-N 3.3Å; F636-R638 PolarHBondContact O-N 2.75Å; F636-G639 PolarHBondContact O-N 3.07Å; F636-F640 HydrophobicContact CB-CD2 4.07Å; F636-F640 HydrophobicContact CB-CE2 4.31Å; F636-F640 HydrophobicContact CD1-CE2 4.27Å; F636-F640 HydrophobicContact CG-CE2 4.41Å; F636-F640 WeakPolarHBondContact O-CB 3.34Å; F636-F640 VanDerWaalsContact O-CD2 3.25Å; F636-F640 WeakPolarHBondContact O-CD2 3.35Å; F636-F640 PolarHBondContact O-N 2.74Å; F636-M647 HydrophobicContact CB-CE 3.68Å; F636-M649 HydrophobicContact CD2-SD 4.25Å; F636-M649 HydrophobicContact CE2-CE 3.79Å; F636-M649 HydrophobicContact CE2-SD 3.99Å; F636-I685 HydrophobicContact CZ-CD1 4.45Å; F636-L687 HydrophobicContact CD2-CD1 4.41Å
637	V	92.1	Very high	90.6	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.218	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-46.4	176.7	169.5	0	0	0	0	110.7	V633 G641 V642 R644 M647	V633-V637 HydrophobicContact CG1-CG2 4.38Å; V633-V637 WeakPolarHBondContact O-CG2 3.3Å; V633-V637 PolarHBondContact O-N 3.46Å; V637-G641 VanDerWaalsContact O-CA 3.27Å; V637-G641 WeakPolarHBondContact O-CA 2.82Å; V637-G641 PolarHBondContact O-N 3.21Å; V637-V642 WeakPolarHBondContact CA-O 3.39Å; V637-V642 WeakPolarHBondContact CG1-O 3.44Å; V637-R644 HydrophobicContact CG2-CB 4.5Å; V637-R644 HydrophobicContact CG2-CG 3.57Å; V637-M647 HydrophobicContact CG2-SD 4.03Å
638	R	91	Very high	90.5	Very high	181 Å²	181	49.8 Å²	49.8	68%	0.683	26%	0.261	S	S	*	.	H	α-helix	trans	-68.9	-40.6	176.5	-72.8	-178.5	-72	178.3	-4.4	112.7	D634 F636	D634-R638 WeakPolarHBondContact O-CB 3.41Å; D634-R638 WeakPolarHBondContact O-CG 3.35Å; D634-R638 PolarHBondContact O-N 3.22Å; D634-R638 VanDerWaalsContact O-N 3.13Å; D634-R638 PolarHBondContact O-NE 2.83Å; D634-R638 VanDerWaalsContact O-NE 3.14Å; F636-R638 VanDerWaalsContact C-N 3.3Å; F636-R638 PolarHBondContact O-N 2.75Å
639	G	89.9	Confident	90.4	Very high	24 Å²	24	48.1 Å²	48.1	25%	0.247	25%	0.25	C	S	.	.	H	α-helix	trans	-69.9	-38.5	-176.6	0	0	0	0	0	113.5	R619 L635 F636	R619-G639 VanDerWaalsContact CZ-O 3.22Å; R619-G639 PolarHBondContact NH1-O 3.03Å; R619-G639 PolarHBondContact NH2-O 2.95Å; L635-G639 PolarHBondContact O-N 3.22Å; F636-G639 PolarHBondContact O-N 3.07Å
640	F	89.1	Confident	90.3	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-100.5	-13.7	-178.2	-63.5	-75	0	0	0	113.4	V596 L598 R619 F621 F636 V642 M647 L687 L689	V596-F640 HydrophobicContact CB-CZ 4.28Å; V596-F640 HydrophobicContact CG1-CE2 4.14Å; V596-F640 HydrophobicContact CG1-CZ 3.75Å; L598-F640 HydrophobicContact CD1-CD1 4.44Å; L598-F640 HydrophobicContact CD1-CE1 3.93Å; L598-F640 HydrophobicContact CD2-CE1 4.05Å; L598-F640 HydrophobicContact CD2-CZ 4.42Å; L598-F640 HydrophobicContact CG-CE1 4.32Å; R619-F640 HydrophobicContact CB-CZ 4.44Å; F621-F640 AromaticContact CE2-CE2 3.67Å; F621-F640 HydrophobicContact CE2-CE2 3.67Å; F621-F640 AromaticContact CE2-CZ 3.79Å; F621-F640 HydrophobicContact CE2-CZ 3.79Å; F621-F640 HydrophobicContact CZ-CD2 4.3Å; F621-F640 AromaticContact CZ-CE2 3.58Å; F621-F640 HydrophobicContact CZ-CE2 3.58Å; F621-F640 AromaticContact CZ-CZ 3.94Å; F621-F640 HydrophobicContact CZ-CZ 3.94Å; F636-F640 HydrophobicContact CB-CD2 4.07Å; F636-F640 HydrophobicContact CB-CE2 4.31Å; F636-F640 HydrophobicContact CD1-CE2 4.27Å; F636-F640 HydrophobicContact CG-CE2 4.41Å; F636-F640 WeakPolarHBondContact O-CB 3.34Å; F636-F640 VanDerWaalsContact O-CD2 3.25Å; F636-F640 WeakPolarHBondContact O-CD2 3.35Å; F636-F640 PolarHBondContact O-N 2.74Å; F640-V642 HydrophobicContact CB-CG2 4.35Å; F640-V642 PolarHBondContact O-N 3.14Å; F640-M647 HydrophobicContact CB-CE 4.34Å; F640-M647 HydrophobicContact CD2-CE 4.01Å; F640-L687 HydrophobicContact CD2-CD2 3.53Å; F640-L687 HydrophobicContact CE2-CD2 3.32Å; F640-L687 HydrophobicContact CG-CD2 4.26Å; F640-L687 HydrophobicContact CZ-CD2 3.89Å; F640-L689 HydrophobicContact CD1-CD1 4.43Å
641	G	87.7	Confident	90.2	Very high	69 Å²	69	46.5 Å²	46.5	71%	0.711	24%	0.242	S	C	*	.			trans	69.2	22.1	-178.5	0	0	0	0	0	113.7	V637	V637-G641 VanDerWaalsContact O-CA 3.27Å; V637-G641 WeakPolarHBondContact O-CA 2.82Å; V637-G641 PolarHBondContact O-N 3.21Å
642	V	87.4	Confident	89.9	Confident	29 Å²	29	43 Å²	43	18%	0.176	23%	0.226	C	C	.	.			trans	-113.7	136.4	-176.4	-178.3	0	0	0	0	109.7	V637 F640 R646 M647 L689	V637-V642 WeakPolarHBondContact CA-O 3.39Å; V637-V642 WeakPolarHBondContact CG1-O 3.44Å; F640-V642 HydrophobicContact CB-CG2 4.35Å; F640-V642 PolarHBondContact O-N 3.14Å; V642-R646 HydrophobicContact CG1-CB 3.5Å; V642-M647 HydrophobicContact CB-CG 4.1Å; V642-M647 HydrophobicContact CB-SD 4.12Å; V642-M647 HydrophobicContact CG1-CG 3.68Å; V642-M647 HydrophobicContact CG1-SD 4.31Å; V642-M647 VanDerWaalsContact O-SD 3.37Å; V642-L689 HydrophobicContact CB-CD2 4.47Å; V642-L689 HydrophobicContact CG1-CD2 4.44Å; V642-L689 HydrophobicContact CG2-CD2 4.43Å
643	S	87.4	Confident	89.4	Confident	61 Å²	61	44.5 Å²	44.5	43%	0.427	24%	0.236	S	C	.	.			trans	-65.8	147.8	177.8	61.6	0	0	0	0	112.1	Q645 R646	S643-Q645 PolarHBondContact O-N 3.11Å; S643-R646 PolarHBondContact O-N 3.12Å; S643-R646 WeakPolarHBondContact OG-CG 3.48Å
644	R	87.6	Confident	88.4	Confident	92 Å²	92	47.1 Å²	47.1	35%	0.347	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-46.8	-39.5	179.8	-62.8	-174.3	176.4	-158.9	2.7	114.4	D630 V633 D634 V637 R646 M647	D630-R644 IonicContact OD1-CZ 3.35Å; D630-R644 IonicContact OD1-NH1 3.66Å; D630-R644 PolarHBondContact OD1-NH1 2.89Å; D630-R644 IonicContact OD1-NH2 3.6Å; V633-R644 HydrophobicContact CG1-CG 3.96Å; D634-R644 IonicContact OD1-CZ 2.74Å; D634-R644 VanDerWaalsContact OD1-CZ 3.28Å; D634-R644 IonicContact OD1-NE 2.83Å; D634-R644 PolarHBondContact OD1-NE 3.06Å; D634-R644 VanDerWaalsContact OD1-NE 3.11Å; D634-R644 IonicContact OD1-NH2 3.73Å; D634-R644 PolarHBondContact OD1-NH2 2.91Å; D634-R644 IonicContact OD2-NH2 3.8Å; D634-R644 PolarHBondContact OD2-NH2 3.04Å; V637-R644 HydrophobicContact CG2-CB 4.5Å; V637-R644 HydrophobicContact CG2-CG 3.57Å; R644-R646 PolarHBondContact O-N 2.97Å; R644-M647 PolarHBondContact O-N 3.01Å
645	Q	85.4	Confident	87.3	Confident	145 Å²	145	46 Å²	46	68%	0.678	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-73.5	-8.9	-177.7	-59.2	178.4	-0.7	0	0	114.5	S643 P697 L698	S643-Q645 PolarHBondContact O-N 3.11Å; Q645-P697 HydrophobicContact CB-CB 3.98Å; Q645-P697 WeakPolarHBondContact O-CA 3.32Å; Q645-P697 WeakPolarHBondContact O-CB 3.5Å; Q645-L698 PolarHBondContact O-N 3.36Å
646	R	88.5	Confident	86.1	Confident	66 Å²	66	50.8 Å²	50.8	25%	0.249	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-108.1	16	179.3	-65.3	-173.5	79.3	-163.5	1.6	112	V642 S643 R644 A690 W691 V694 G696	V642-R646 HydrophobicContact CG1-CB 3.5Å; S643-R646 PolarHBondContact O-N 3.12Å; S643-R646 WeakPolarHBondContact OG-CG 3.48Å; R644-R646 PolarHBondContact O-N 2.97Å; R646-A690 HydrophobicContact CB-CB 3.98Å; R646-A690 HydrophobicContact CG-CB 4.34Å; R646-A690 PolarHBondContact O-N 3.21Å; R646-W691 PolarHBondContact NH2-O 2.85Å; R646-V694 PolarHBondContact NH2-O 3.43Å; R646-G696 WeakPolarHBondContact CG-O 3.5Å; R646-G696 PolarHBondContact NE-O 3.41Å
647	M	90.1	Very high	85	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.4	-177.2	-54	175	84	0	0	109.5	F636 V637 F640 V642 R644 L687 Q688 L689	F636-M647 HydrophobicContact CB-CE 3.68Å; V637-M647 HydrophobicContact CG2-SD 4.03Å; F640-M647 HydrophobicContact CB-CE 4.34Å; F640-M647 HydrophobicContact CD2-CE 4.01Å; V642-M647 HydrophobicContact CB-CG 4.1Å; V642-M647 HydrophobicContact CB-SD 4.12Å; V642-M647 HydrophobicContact CG1-CG 3.68Å; V642-M647 HydrophobicContact CG1-SD 4.31Å; V642-M647 VanDerWaalsContact O-SD 3.37Å; R644-M647 PolarHBondContact O-N 3.01Å; M647-L687 HydrophobicContact CB-CD1 4.27Å; M647-L687 HydrophobicContact CE-CD1 4.08Å; M647-L687 HydrophobicContact CE-CD2 3.59Å; M647-L687 HydrophobicContact CE-CG 4.22Å; M647-Q688 CarbonylContact C-O 3.52Å; M647-Q688 WeakPolarHBondContact CA-O 3.32Å; M647-L689 HydrophobicContact CB-CD2 4.37Å; M647-L689 HydrophobicContact CE-CD2 3.86Å; M647-L689 HydrophobicContact CG-CD2 3.79Å
648	R	91	Very high	84.3	Confident	14 Å²	14	52.2 Å²	52.2	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.5	170.4	-166.5	-174.5	-61.9	159.6	-1.5	110.4	Q688 L698 P699 F701 Q728	R648-Q688 HydrophobicContact CB-CB 4.29Å; R648-Q688 PolarHBondContact N-O 3.36Å; R648-Q688 PolarHBondContact O-N 2.98Å; R648-L698 HydrophobicContact CB-CD1 3.92Å; R648-P699 PolarHBondContact NH2-O 3.29Å; R648-F701 VanDerWaalsContact CZ-CB 3.47Å; R648-Q728 VanDerWaalsContact NH2-OE1 3.15Å
649	M	91.2	Very high	83.9	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.5	-176.1	-67.9	175	60.9	0	0	111.2	L632 V633 F636 F663 F665 I685 L687	L632-M649 HydrophobicContact CD2-CE 4.4Å; V633-M649 HydrophobicContact CG2-SD 3.97Å; F636-M649 HydrophobicContact CD2-SD 4.25Å; F636-M649 HydrophobicContact CE2-CE 3.79Å; F636-M649 HydrophobicContact CE2-SD 3.99Å; M649-F663 HydrophobicContact CB-CB 4.16Å; M649-F663 HydrophobicContact CB-CD1 4.14Å; M649-F663 HydrophobicContact CE-CD1 3.71Å; M649-F663 HydrophobicContact CE-CE1 3.96Å; M649-F663 PolarHBondContact O-N 2.67Å; M649-F663 HydrophobicContact SD-CD1 4.19Å; M649-F665 HydrophobicContact CB-CD1 4.15Å; M649-F665 HydrophobicContact CG-CD1 3.8Å; M649-F665 HydrophobicContact CG-CE1 4.33Å; M649-F665 HydrophobicContact SD-CB 3.77Å; M649-F665 HydrophobicContact SD-CD1 3.64Å; M649-F665 HydrophobicContact SD-CE1 4.5Å; M649-F665 HydrophobicContact SD-CG 3.91Å; M649-I685 HydrophobicContact CB-CG2 4.17Å; M649-I685 HydrophobicContact CE-CD1 3.48Å; M649-I685 VanDerWaalsContact CE-CD1 3.48Å; M649-I685 HydrophobicContact CE-CG2 4.22Å; M649-I685 HydrophobicContact CG-CG2 4.36Å; M649-L687 HydrophobicContact CG-CD1 3.9Å
650	W	90.4	Very high	83.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	111.9	179.3	-62.8	99.4	0	0	0	109.4	F660 S661 H662 I685 W686 F701 L708 Q784	W650-F660 HydrophobicContact CB-CB 4.08Å; W650-F660 HydrophobicContact CB-CD1 3.99Å; W650-F660 HydrophobicContact CB-CG 4.23Å; W650-F660 HydrophobicContact CE3-CB 4.19Å; W650-S661 WeakPolarHBondContact CA-O 3.49Å; W650-H662 HydrophobicContact CE3-CB 4.13Å; W650-H662 HydrophobicContact CH2-CB 4.46Å; W650-H662 HydrophobicContact CZ3-CB 3.74Å; W650-I685 WeakPolarHBondContact O-CA 3.45Å; W650-W686 HydrophobicContact CB-CB 4.23Å; W650-W686 HydrophobicContact CB-CD2 4.33Å; W650-W686 HydrophobicContact CB-CE3 3.53Å; W650-W686 HydrophobicContact CB-CZ3 4.21Å; W650-W686 WeakPolarHBondContact CB-O 3.4Å; W650-W686 AromaticContact CD1-CD2 3.91Å; W650-W686 AromaticContact CD1-CE3 3.2Å; W650-W686 AromaticContact CD1-CZ3 3.24Å; W650-W686 HydrophobicContact CD2-CE3 4.14Å; W650-W686 AromaticContact CD2-CZ3 3.9Å; W650-W686 HydrophobicContact CD2-CZ3 3.9Å; W650-W686 AromaticContact CE2-CZ3 3.76Å; W650-W686 HydrophobicContact CG-CD2 4.31Å; W650-W686 AromaticContact CG-CE3 3.35Å; W650-W686 HydrophobicContact CG-CE3 3.35Å; W650-W686 AromaticContact CG-CZ3 3.55Å; W650-W686 HydrophobicContact CG-CZ3 3.55Å; W650-W686 PolarHBondContact N-O 3.16Å; W650-W686 AromaticContact NE1-CE3 3.85Å; W650-W686 AromaticContact NE1-CH2 3.88Å; W650-W686 AromaticContact NE1-CZ3 3.35Å; W650-W686 PolarHBondContact O-N 3.3Å; W650-F701 AromaticContact CH2-CD1 3.72Å; W650-F701 HydrophobicContact CH2-CD1 3.72Å; W650-F701 HydrophobicContact CH2-CD2 4.5Å; W650-F701 AromaticContact CH2-CE1 3.5Å; W650-F701 HydrophobicContact CH2-CE1 3.5Å; W650-F701 VanDerWaalsContact CH2-CE1 3.5Å; W650-F701 HydrophobicContact CH2-CE2 4.31Å; W650-F701 HydrophobicContact CH2-CG 4.22Å; W650-F701 AromaticContact CH2-CZ 3.83Å; W650-F701 HydrophobicContact CH2-CZ 3.83Å; W650-F701 HydrophobicContact CZ3-CD1 4.37Å; W650-F701 AromaticContact CZ3-CE1 3.89Å; W650-F701 HydrophobicContact CZ3-CE1 3.89Å; W650-F701 HydrophobicContact CZ3-CZ 4.37Å; W650-L708 HydrophobicContact CD2-CD2 4.36Å; W650-L708 HydrophobicContact CE3-CD2 4.43Å; W650-L708 HydrophobicContact CH2-CB 4Å; W650-L708 HydrophobicContact CH2-CD2 3.86Å; W650-L708 HydrophobicContact CH2-CG 4.34Å; W650-L708 HydrophobicContact CZ2-CB 4.47Å; W650-L708 HydrophobicContact CZ2-CD1 4.18Å; W650-L708 HydrophobicContact CZ2-CD2 3.75Å; W650-L708 HydrophobicContact CZ2-CG 4.35Å; W650-L708 HydrophobicContact CZ3-CD2 4.22Å; W650-Q784 HydrophobicContact CE3-CB 4.47Å; W650-Q784 HydrophobicContact CZ3-CB 3.86Å; W650-Q784 HydrophobicContact CZ3-CG 3.86Å
651	N	89	Confident	83.7	Confident	22 Å²	22	43.3 Å²	43.3	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.7	179.8	-81.4	-18.1	0	0	0	110.1	C653 F660 S661 F663 W683	N651-C653 PolarHBondContact O-N 3.13Å; N651-F660 CarbonylContact O-C 3.55Å; N651-F660 VanDerWaalsContact O-CA 3.28Å; N651-F660 WeakPolarHBondContact O-CA 3.49Å; N651-S661 WeakPolarHBondContact CB-OG 3.27Å; N651-S661 PolarHBondContact N-O 2.97Å; N651-S661 PolarHBondContact O-N 3.42Å; N651-S661 PolarHBondContact O-OG 2.62Å; N651-F663 WeakPolarHBondContact ND2-CD2 3.36Å; N651-F663 WeakPolarHBondContact ND2-CG 3.43Å; N651-W683 PolarHBondContact OD1-NE1 3.09Å
652	L	87.6	Confident	83.7	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	112.6	174.7	-176	67.7	0	0	0	109.9	F611 L613 F660 V684	F611-L652 HydrophobicContact CE2-CD2 4.44Å; F611-L652 HydrophobicContact CZ-CD1 4.2Å; F611-L652 HydrophobicContact CZ-CD2 4.09Å; L613-L652 HydrophobicContact CD1-CD2 4.2Å; L652-F660 HydrophobicContact CD1-CD1 4.23Å; L652-F660 HydrophobicContact CD1-CE1 3.91Å; L652-F660 HydrophobicContact CD1-CZ 4.43Å; L652-V684 HydrophobicContact CB-CB 4.1Å; L652-V684 HydrophobicContact CB-CG1 4.2Å; L652-V684 HydrophobicContact CD2-CB 3.96Å; L652-V684 HydrophobicContact CD2-CG1 3.78Å; L652-V684 PolarHBondContact N-O 3.14Å; L652-V684 VanDerWaalsContact N-O 3.16Å
653	C	80.8	Confident	83.8	Confident	32 Å²	32	41.9 Å²	41.9	22%	0.216	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-46	-178.6	-65.2	0	0	0	0	111.5	N651 K659 S661 S679 Q680 L783	N651-C653 PolarHBondContact O-N 3.13Å; C653-K659 PolarHBondContact N-O 3.36Å; C653-S661 VanDerWaalsContact SG-CB 3.59Å; C653-S661 PolarHBondContact SG-OG 3.48Å; C653-S679 PolarHBondContact O-OG 3.16Å; C653-S679 VanDerWaalsContact O-OG 3.09Å; C653-Q680 PolarHBondContact O-NE2 3.08Å; C653-Q680 VanDerWaalsContact O-NE2 3.15Å; C653-L783 HydrophobicContact CB-CD2 4.01Å; C653-L783 WeakPolarHBondContact SG-CD2 3.46Å
654	T	71.9	Confident	83.7	Confident	58 Å²	58	42.5 Å²	42.5	36%	0.356	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.7	-177.4	21.6	0	0	0	0	111.2	Q656 T657 Q658	T654-Q656 PolarHBondContact O-N 3.1Å; T654-T657 WeakPolarHBondContact CB-OG1 3.35Å; T654-T657 PolarHBondContact OG1-OG1 3.33Å; T654-Q658 WeakPolarHBondContact O-CA 3.24Å; T654-Q658 PolarHBondContact O-N 3.38Å
655	A	69.3	Low	83.6	Confident	35 Å²	35	39 Å²	39	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.8	177.2	0	0	0	0	0	113.4	L613 Q680	L613-A655 HydrophobicContact CD1-CB 3.81Å; A655-Q680 VanDerWaalsContact N-NE2 3.12Å
656	Q	67	Low	83.6	Confident	149 Å²	149	37.4 Å²	37.4	70%	0.696	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-43.9	-177.2	-66.5	177.1	0.8	0	0	113.2	R609 T654	R609-Q656 PolarHBondContact NE-O 3.11Å; R609-Q656 VanDerWaalsContact NE-O 3.13Å; R609-Q656 PolarHBondContact NH2-O 3.39Å; T654-Q656 PolarHBondContact O-N 3.1Å
657	T	69.7	Low	83.4	Confident	61 Å²	61	37.6 Å²	37.6	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-9.8	-176.5	61	0	0	0	0	113.3	T654 K659	T654-T657 WeakPolarHBondContact CB-OG1 3.35Å; T654-T657 PolarHBondContact OG1-OG1 3.33Å; T657-K659 PolarHBondContact O-N 3.45Å; T657-K659 VanDerWaalsContact O-N 3.13Å; T657-K659 WeakPolarHBondContact OG1-CG 3.18Å
658	Q	77.4	Confident	83.2	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.028	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	38.5	-179	-59.7	-170.7	-10.4	0	0	113.5	L610 F611 T654 F660	L610-Q658 VanDerWaalsContact CB-OE1 3.3Å; F611-Q658 PolarHBondContact O-NE2 3.17Å; T654-Q658 WeakPolarHBondContact O-CA 3.24Å; T654-Q658 PolarHBondContact O-N 3.38Å; Q658-F660 WeakPolarHBondContact O-CD2 3.31Å; Q658-F660 WeakPolarHBondContact O-CE2 3.43Å
659	K	83.9	Confident	83	Confident	16 Å²	16	39.3 Å²	39.3	7%	0.07	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.2	172.7	-65.3	-63.1	-179.2	-178	0	110	C653 T657 L783 G785	C653-K659 PolarHBondContact N-O 3.36Å; T657-K659 PolarHBondContact O-N 3.45Å; T657-K659 VanDerWaalsContact O-N 3.13Å; T657-K659 WeakPolarHBondContact OG1-CG 3.18Å; K659-L783 HydrophobicContact CB-CB 4.27Å; K659-L783 HydrophobicContact CB-CD1 4.23Å; K659-G785 PolarHBondContact NZ-O 2.86Å
660	F	87.1	Confident	82.8	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146	-176.8	-58.9	-83.4	0	0	0	111	L610 F611 W650 N651 L652 Q658 W686 F710 Q784	L610-F660 HydrophobicContact CD1-CE2 3.78Å; L610-F660 HydrophobicContact CD1-CZ 4.28Å; F611-F660 HydrophobicContact CE1-CE1 4.48Å; F611-F660 AromaticContact CE1-CZ 3.96Å; F611-F660 HydrophobicContact CE1-CZ 3.96Å; W650-F660 HydrophobicContact CB-CB 4.08Å; W650-F660 HydrophobicContact CB-CD1 3.99Å; W650-F660 HydrophobicContact CB-CG 4.23Å; W650-F660 HydrophobicContact CE3-CB 4.19Å; N651-F660 CarbonylContact O-C 3.55Å; N651-F660 VanDerWaalsContact O-CA 3.28Å; N651-F660 WeakPolarHBondContact O-CA 3.49Å; L652-F660 HydrophobicContact CD1-CD1 4.23Å; L652-F660 HydrophobicContact CD1-CE1 3.91Å; L652-F660 HydrophobicContact CD1-CZ 4.43Å; Q658-F660 WeakPolarHBondContact O-CD2 3.31Å; Q658-F660 WeakPolarHBondContact O-CE2 3.43Å; F660-W686 HydrophobicContact CD1-CB 4.18Å; F660-W686 HydrophobicContact CD1-CE3 4.41Å; F660-W686 HydrophobicContact CD2-CE3 4.49Å; F660-W686 HydrophobicContact CE1-CB 3.57Å; F660-W686 HydrophobicContact CE1-CE3 4.34Å; F660-W686 HydrophobicContact CE1-CG 4.36Å; F660-W686 HydrophobicContact CE2-CE3 4.42Å; F660-W686 HydrophobicContact CG-CE3 4.46Å; F660-W686 HydrophobicContact CZ-CB 4.16Å; F660-W686 HydrophobicContact CZ-CE3 4.32Å; F660-F710 AromaticContact CD2-CE2 3.9Å; F660-F710 HydrophobicContact CD2-CE2 3.9Å; F660-F710 HydrophobicContact CD2-CZ 4.16Å; F660-F710 AromaticContact CE2-CE2 3.68Å; F660-F710 HydrophobicContact CE2-CE2 3.68Å; F660-F710 AromaticContact CE2-CZ 3.75Å; F660-F710 HydrophobicContact CE2-CZ 3.75Å; F660-Q784 PolarHBondContact N-O 3.19Å; F660-Q784 WeakPolarHBondContact O-CB 3.31Å; F660-Q784 PolarHBondContact O-N 3.32Å
661	S	87.2	Confident	82.9	Confident	37 Å²	37	48.1 Å²	48.1	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137	163.5	50.5	0	0	0	0	109.2	W650 N651 C653 F663	W650-S661 WeakPolarHBondContact CA-O 3.49Å; N651-S661 WeakPolarHBondContact CB-OG 3.27Å; N651-S661 PolarHBondContact N-O 2.97Å; N651-S661 PolarHBondContact O-N 3.42Å; N651-S661 PolarHBondContact O-OG 2.62Å; C653-S661 VanDerWaalsContact SG-CB 3.59Å; C653-S661 PolarHBondContact SG-OG 3.48Å; S661-F663 PolarHBondContact O-N 3.01Å
662	H	88.2	Confident	83	Confident	52 Å²	52	48.6 Å²	48.6	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.2	172.5	178.9	-104.3	0	0	0	109.1	W650 F701	W650-H662 HydrophobicContact CE3-CB 4.13Å; W650-H662 HydrophobicContact CH2-CB 4.46Å; W650-H662 HydrophobicContact CZ3-CB 3.74Å; H662-F701 HydrophobicContact CB-CD1 4.27Å; H662-F701 HydrophobicContact CB-CE1 4.1Å; H662-F701 AromaticContact CD2-CD1 3.72Å; H662-F701 AromaticContact CG-CD1 3.91Å
663	F	88.2	Confident	83	Confident	16 Å²	16	48.5 Å²	48.5	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103.4	176.9	-173.4	-104.8	0	0	0	109.5	V629 M649 N651 S661 F665 E668 I676 W683	V629-F663 HydrophobicContact CG1-CE1 3.76Å; V629-F663 HydrophobicContact CG1-CZ 4.14Å; V629-F663 HydrophobicContact CG2-CZ 4.13Å; M649-F663 HydrophobicContact CB-CB 4.16Å; M649-F663 HydrophobicContact CB-CD1 4.14Å; M649-F663 HydrophobicContact CE-CD1 3.71Å; M649-F663 HydrophobicContact CE-CE1 3.96Å; M649-F663 PolarHBondContact O-N 2.67Å; M649-F663 HydrophobicContact SD-CD1 4.19Å; N651-F663 WeakPolarHBondContact ND2-CD2 3.36Å; N651-F663 WeakPolarHBondContact ND2-CG 3.43Å; S661-F663 PolarHBondContact O-N 3.01Å; F663-F665 VanDerWaalsContact C-N 3.32Å; F663-F665 HydrophobicContact CD1-CB 3.98Å; F663-F665 HydrophobicContact CE1-CB 3.89Å; F663-F665 PolarHBondContact O-N 3.16Å; F663-E668 HydrophobicContact CE2-CB 4.42Å; F663-E668 HydrophobicContact CE2-CG 4.24Å; F663-E668 HydrophobicContact CZ-CB 4.07Å; F663-E668 HydrophobicContact CZ-CG 4.39Å; F663-I676 HydrophobicContact CE2-CD1 4.28Å; F663-I676 HydrophobicContact CE2-CG2 4.11Å; F663-I676 HydrophobicContact CZ-CD1 4.17Å; F663-I676 HydrophobicContact CZ-CG2 4.45Å; F663-W683 HydrophobicContact CZ-CH2 4.34Å; F663-W683 HydrophobicContact CZ-CZ2 4.38Å
664	D	86.5	Confident	83.3	Confident	73 Å²	73	53.6 Å²	53.6	39%	0.39	30%	0.3	S	S	.	.			trans	-77.3	85	175.5	-170.5	-15.9	0	0	0	109.9	V666 A667 E668	D664-V666 PolarHBondContact O-N 2.92Å; D664-V666 WeakPolarHBondContact OD1-CB 3.33Å; D664-V666 PolarHBondContact OD1-N 3.27Å; D664-A667 HydrophobicContact CB-CB 4.1Å; D664-A667 PolarHBondContact O-N 3.16Å; D664-A667 PolarHBondContact OD1-N 2.94Å; D664-E668 WeakPolarHBondContact O-CB 3.41Å; D664-E668 WeakPolarHBondContact O-CG 3.35Å; D664-E668 PolarHBondContact O-N 2.68Å
665	F	85.4	Confident	83.9	Confident	19 Å²	19	56.1 Å²	56.1	8%	0.083	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	179.1	66.1	-101.1	0	0	0	113.2	V629 V633 M649 F663 G669	V629-F665 HydrophobicContact CG1-CB 3.79Å; V633-F665 HydrophobicContact CB-CD2 4.38Å; V633-F665 HydrophobicContact CG1-CD2 4.05Å; V633-F665 HydrophobicContact CG1-CE2 3.91Å; V633-F665 HydrophobicContact CG2-CB 3.83Å; V633-F665 HydrophobicContact CG2-CD2 3.55Å; V633-F665 HydrophobicContact CG2-CE2 4.24Å; V633-F665 HydrophobicContact CG2-CG 3.73Å; M649-F665 HydrophobicContact CB-CD1 4.15Å; M649-F665 HydrophobicContact CG-CD1 3.8Å; M649-F665 HydrophobicContact CG-CE1 4.33Å; M649-F665 HydrophobicContact SD-CB 3.77Å; M649-F665 HydrophobicContact SD-CD1 3.64Å; M649-F665 HydrophobicContact SD-CE1 4.5Å; M649-F665 HydrophobicContact SD-CG 3.91Å; F663-F665 VanDerWaalsContact C-N 3.32Å; F663-F665 HydrophobicContact CD1-CB 3.98Å; F663-F665 HydrophobicContact CE1-CB 3.89Å; F663-F665 PolarHBondContact O-N 3.16Å; F665-G669 VanDerWaalsContact O-CA 3.27Å; F665-G669 WeakPolarHBondContact O-CA 3.49Å; F665-G669 PolarHBondContact O-N 3.46Å; F665-G669 VanDerWaalsContact O-N 3.11Å
666	V	85.2	Confident	84.5	Confident	112 Å²	112	55.1 Å²	55.1	68%	0.679	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-45.3	176.1	-178.3	0	0	0	0	109.8	D664 E668	D664-V666 PolarHBondContact O-N 2.92Å; D664-V666 WeakPolarHBondContact OD1-CB 3.33Å; D664-V666 PolarHBondContact OD1-N 3.27Å; V666-E668 VanDerWaalsContact C-N 3.33Å
667	A	84.8	Confident	84.4	Confident	69 Å²	69	53.7 Å²	53.7	57%	0.57	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-37.9	174.5	0	0	0	0	0	112.1	D664	D664-A667 HydrophobicContact CB-CB 4.1Å; D664-A667 PolarHBondContact O-N 3.16Å; D664-A667 PolarHBondContact OD1-N 2.94Å
668	E	85.6	Confident	84.3	Confident	59 Å²	59	52.7 Å²	52.7	28%	0.276	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.5	-176.4	-57.3	-70.9	-164	0	0	113.6	F663 D664 V666 S670 R671	F663-E668 HydrophobicContact CE2-CB 4.42Å; F663-E668 HydrophobicContact CE2-CG 4.24Å; F663-E668 HydrophobicContact CZ-CB 4.07Å; F663-E668 HydrophobicContact CZ-CG 4.39Å; D664-E668 WeakPolarHBondContact O-CB 3.41Å; D664-E668 WeakPolarHBondContact O-CG 3.35Å; D664-E668 PolarHBondContact O-N 2.68Å; V666-E668 VanDerWaalsContact C-N 3.33Å; E668-S670 VanDerWaalsContact C-N 3.27Å; E668-S670 PolarHBondContact O-N 2.78Å; E668-S670 VanDerWaalsContact O-N 3.11Å; E668-R671 PolarHBondContact O-N 3.41Å; E668-R671 IonicContact OE1-NH1 3.82Å; E668-R671 PolarHBondContact OE1-NH1 3.24Å; E668-R671 WeakPolarHBondContact OE2-CD 3.46Å; E668-R671 IonicContact OE2-CZ 2.7Å; E668-R671 IonicContact OE2-NE 3.98Å; E668-R671 IonicContact OE2-NH1 3.38Å; E668-R671 PolarHBondContact OE2-NH1 2.93Å
669	G	86	Confident	83.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-37.5	-169.3	0	0	0	0	0	115.1	T628 V629 D630 F665	T628-G669 WeakPolarHBondContact CB-O 3.5Å; V629-G669 PolarHBondContact N-O 3.15Å; D630-G669 PolarHBondContact N-O 3.25Å; D630-G669 VanDerWaalsContact N-O 3.1Å; F665-G669 VanDerWaalsContact O-CA 3.27Å; F665-G669 WeakPolarHBondContact O-CA 3.49Å; F665-G669 PolarHBondContact O-N 3.46Å; F665-G669 VanDerWaalsContact O-N 3.11Å
670	S	88.8	Confident	82.6	Confident	105 Å²	105	57.8 Å²	57.8	73%	0.734	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13	-177.3	63.1	0	0	0	0	115.2	E668	E668-S670 VanDerWaalsContact C-N 3.27Å; E668-S670 PolarHBondContact O-N 2.78Å; E668-S670 VanDerWaalsContact O-N 3.11Å
671	R	91.1	Very high	81.9	Confident	82 Å²	82	66.8 Å²	66.8	31%	0.309	37%	0.371	S	S	.	.	S	Bend	trans	-78.2	150.6	179.4	-71.5	171.4	72.9	179.3	-1.8	110.8	T628 V629 E668 Q675 I676	T628-R671 VanDerWaalsContact CA-O 3.27Å; T628-R671 WeakPolarHBondContact CA-O 3.4Å; V629-R671 PolarHBondContact N-O 3.27Å; E668-R671 PolarHBondContact O-N 3.41Å; E668-R671 IonicContact OE1-NH1 3.82Å; E668-R671 PolarHBondContact OE1-NH1 3.24Å; E668-R671 WeakPolarHBondContact OE2-CD 3.46Å; E668-R671 IonicContact OE2-CZ 2.7Å; E668-R671 IonicContact OE2-NE 3.98Å; E668-R671 IonicContact OE2-NH1 3.38Å; E668-R671 PolarHBondContact OE2-NH1 2.93Å; R671-Q675 PolarHBondContact NH2-O 3.43Å; R671-I676 HydrophobicContact CB-CD1 4.21Å
672	T	90.8	Very high	81.6	Confident	31 Å²	31	67.5 Å²	67.5	19%	0.19	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-78.4	155.3	173.7	65.5	0	0	0	0	111.1	Q627 E674 Q675	Q627-T672 CarbonylContact O-C 3.56Å; Q627-T672 VanDerWaalsContact O-CA 3.22Å; Q627-T672 WeakPolarHBondContact O-CA 3.25Å; T672-E674 PolarHBondContact O-N 2.96Å; T672-Q675 WeakPolarHBondContact O-CB 3.48Å; T672-Q675 PolarHBondContact O-N 3.4Å; T672-Q675 VanDerWaalsContact OG1-CG 3.31Å; T672-Q675 WeakPolarHBondContact OG1-CG 3.37Å
673	I	88.3	Confident	81.6	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.026	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-59.5	-34.6	177.7	-58.4	-43.6	0	0	0	111.5	V592 I623 Q625 Q627 V629 L632 Q675 I676 W683	V592-I673 HydrophobicContact CB-CG2 4.18Å; V592-I673 HydrophobicContact CG1-CG2 4.41Å; V592-I673 HydrophobicContact CG2-CG2 3.93Å; I623-I673 HydrophobicContact CD1-CD1 4.28Å; I623-I673 HydrophobicContact CD1-CG1 3.92Å; I623-I673 HydrophobicContact CG1-CG1 4.32Å; I623-I673 HydrophobicContact CG2-CG1 3.97Å; I623-I673 HydrophobicContact CG2-CG2 4.34Å; Q625-I673 PolarHBondContact O-N 3.13Å; Q627-I673 WeakPolarHBondContact O-CG1 3.48Å; Q627-I673 PolarHBondContact O-N 2.82Å; V629-I673 HydrophobicContact CG2-CD1 3.95Å; L632-I673 HydrophobicContact CB-CD1 4.38Å; L632-I673 HydrophobicContact CD2-CD1 4.2Å; I673-Q675 PolarHBondContact O-N 3.46Å; I673-I676 WeakPolarHBondContact O-CB 3.39Å; I673-I676 PolarHBondContact O-N 3.02Å; I673-I676 VanDerWaalsContact O-N 3.12Å; I673-W683 HydrophobicContact CD1-CZ3 4.12Å; I673-W683 HydrophobicContact CG2-CE3 4.3Å; I673-W683 HydrophobicContact CG2-CZ3 4Å
674	E	86.5	Confident	81.7	Confident	139 Å²	139	65 Å²	65	65%	0.65	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-59.2	-34.3	175.2	-169.8	177.5	-172.9	0	0	113.2	Q625 T672 I676	Q625-E674 HydrophobicContact CB-CB 4.15Å; Q625-E674 WeakPolarHBondContact O-CB 3.41Å; Q625-E674 PolarHBondContact O-N 3.46Å; T672-E674 PolarHBondContact O-N 2.96Å; E674-I676 VanDerWaalsContact C-N 3.27Å; E674-I676 PolarHBondContact O-N 3.1Å
675	Q	84.4	Confident	81.9	Confident	110 Å²	110	61.6 Å²	61.6	51%	0.514	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-78.8	-11.4	-179.8	-68.2	169.8	-13.7	0	0	112.7	R671 T672 I673 S677	R671-Q675 PolarHBondContact NH2-O 3.43Å; T672-Q675 WeakPolarHBondContact O-CB 3.48Å; T672-Q675 PolarHBondContact O-N 3.4Å; T672-Q675 VanDerWaalsContact OG1-CG 3.31Å; T672-Q675 WeakPolarHBondContact OG1-CG 3.37Å; I673-Q675 PolarHBondContact O-N 3.46Å; Q675-S677 PolarHBondContact O-N 3.45Å
676	I	82.9	Confident	82.2	Confident	14 Å²	14	60.7 Å²	60.7	7%	0.072	34%	0.341	C	S	.	.	S	Bend	trans	-82.8	113.9	177.4	-55.1	-56.3	0	0	0	108.6	V629 F663 R671 I673 E674 T678 W683	V629-I676 HydrophobicContact CG2-CD1 4.03Å; V629-I676 HydrophobicContact CG2-CG1 4.02Å; F663-I676 HydrophobicContact CE2-CD1 4.28Å; F663-I676 HydrophobicContact CE2-CG2 4.11Å; F663-I676 HydrophobicContact CZ-CD1 4.17Å; F663-I676 HydrophobicContact CZ-CG2 4.45Å; R671-I676 HydrophobicContact CB-CD1 4.21Å; I673-I676 WeakPolarHBondContact O-CB 3.39Å; I673-I676 PolarHBondContact O-N 3.02Å; I673-I676 VanDerWaalsContact O-N 3.12Å; E674-I676 VanDerWaalsContact C-N 3.27Å; E674-I676 PolarHBondContact O-N 3.1Å; I676-T678 HydrophobicContact CG2-CG2 4.17Å; I676-T678 PolarHBondContact O-N 3.41Å; I676-W683 HydrophobicContact CG2-CH2 4.09Å; I676-W683 HydrophobicContact CG2-CZ2 4.07Å
677	S	65.2	Low	82.5	Confident	120 Å²	120	55.5 Å²	55.5	84%	0.839	31%	0.309	S	S	*	.			trans	-70.1	95.8	175.2	172.8	0	0	0	0	110.1	Q675	Q675-S677 PolarHBondContact O-N 3.45Å
678	T	66.6	Low	82.8	Confident	40 Å²	40	52.8 Å²	52.8	25%	0.245	29%	0.285	C	S	.	.			trans	-90.4	129	172.4	71.7	0	0	0	0	110.2	I676 Q680 W683	I676-T678 HydrophobicContact CG2-CG2 4.17Å; I676-T678 PolarHBondContact O-N 3.41Å; T678-Q680 PolarHBondContact O-N 2.9Å; T678-Q680 PolarHBondContact OG1-O 3.36Å; T678-W683 HydrophobicContact CG2-CB 4.13Å; T678-W683 HydrophobicContact CG2-CD2 3.56Å; T678-W683 HydrophobicContact CG2-CE3 4.09Å; T678-W683 HydrophobicContact CG2-CG 3.57Å
679	S	59.6	Low	83	Confident	86 Å²	86	52.1 Å²	52.1	60%	0.601	28%	0.283	S	S	*	.	S	Bend	trans	-74.9	-12.7	176.8	54.6	0	0	0	0	113.2	C653	C653-S679 PolarHBondContact O-OG 3.16Å; C653-S679 VanDerWaalsContact O-OG 3.09Å
680	Q	65.7	Low	82.9	Confident	43 Å²	43	52.9 Å²	52.9	20%	0.201	29%	0.289	C	S	.	.	S	Bend	trans	-134.1	142.1	-175.7	-61.2	-178.3	16.4	0	0	111.4	C653 A655 T678 P682	C653-Q680 PolarHBondContact O-NE2 3.08Å; C653-Q680 VanDerWaalsContact O-NE2 3.15Å; A655-Q680 VanDerWaalsContact N-NE2 3.12Å; T678-Q680 PolarHBondContact O-N 2.9Å; T678-Q680 PolarHBondContact OG1-O 3.36Å; Q680-P682 CarbonylContact C-O 3.57Å; Q680-P682 CarbonylContact O-C 3.56Å
681	K	72.4	Confident	82.3	Confident	190 Å²	190	55.2 Å²	55.2	83%	0.826	28%	0.282	S	S	*	.	S	Bend	trans	-123.7	116.1	168.4	-70.6	-173	179.1	-177.1	0	107.5
682	P	81.3	Confident	81.3	Confident	52 Å²	52	57.1 Å²	57.1	34%	0.338	30%	0.303	S	S	.	.	S	Bend	cis	-67.8	158.3	4.6	29.8	-35.4	0	0	0	113.7	H595 Q680 V684	H595-P682 WeakPolarHBondContact CE1-CG 3.47Å; H595-P682 WeakPolarHBondContact NE2-CB 3.25Å; Q680-P682 CarbonylContact C-O 3.57Å; Q680-P682 CarbonylContact O-C 3.56Å; P682-V684 PolarHBondContact O-N 3.15Å
683	W	88.2	Confident	80.3	Confident	9 Å²	9	62.3 Å²	62.3	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.9	179	-179.9	11.4	0	0	0	109.3	V592 S593 V594 H595 L632 N651 F663 I673 I676 T678 I685	V592-W683 HydrophobicContact CG1-CB 4.42Å; S593-W683 PolarHBondContact O-N 3.37Å; V594-W683 CarbonylContact C-O 3.59Å; V594-W683 WeakPolarHBondContact CA-O 3.3Å; V594-W683 HydrophobicContact CG1-CD2 4.49Å; V594-W683 HydrophobicContact CG1-CE3 4.44Å; V594-W683 HydrophobicContact CG2-CD2 4.46Å; V594-W683 HydrophobicContact CG2-CE3 3.77Å; V594-W683 HydrophobicContact CG2-CZ3 4.39Å; H595-W683 PolarHBondContact N-O 3.02Å; L632-W683 HydrophobicContact CD2-CH2 3.97Å; L632-W683 HydrophobicContact CD2-CZ3 3.74Å; N651-W683 PolarHBondContact OD1-NE1 3.09Å; F663-W683 HydrophobicContact CZ-CH2 4.34Å; F663-W683 HydrophobicContact CZ-CZ2 4.38Å; I673-W683 HydrophobicContact CD1-CZ3 4.12Å; I673-W683 HydrophobicContact CG2-CE3 4.3Å; I673-W683 HydrophobicContact CG2-CZ3 4Å; I676-W683 HydrophobicContact CG2-CH2 4.09Å; I676-W683 HydrophobicContact CG2-CZ2 4.07Å; T678-W683 HydrophobicContact CG2-CB 4.13Å; T678-W683 HydrophobicContact CG2-CD2 3.56Å; T678-W683 HydrophobicContact CG2-CE3 4.09Å; T678-W683 HydrophobicContact CG2-CG 3.57Å; W683-I685 HydrophobicContact CD2-CD1 3.99Å; W683-I685 HydrophobicContact CD2-CG1 4.35Å; W683-I685 HydrophobicContact CE3-CD1 4.49Å; W683-I685 HydrophobicContact CG-CD1 4.47Å; W683-I685 HydrophobicContact CG-CG1 4.34Å; W683-I685 HydrophobicContact CH2-CD1 4.23Å; W683-I685 HydrophobicContact CZ2-CD1 3.68Å; W683-I685 HydrophobicContact CZ2-CG1 4.44Å
684	V	89.8	Confident	79.6	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.042	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.2	-177.3	-173.7	0	0	0	0	111.1	H595 I597 L613 L652 P682	H595-V684 HydrophobicContact CB-CG2 4.27Å; H595-V684 WeakPolarHBondContact O-CA 3.23Å; I597-V684 HydrophobicContact CD1-CG1 3.59Å; I597-V684 HydrophobicContact CG1-CG1 4.19Å; L613-V684 HydrophobicContact CD2-CG1 4.19Å; L613-V684 HydrophobicContact CD2-CG2 4.44Å; L652-V684 HydrophobicContact CB-CB 4.1Å; L652-V684 HydrophobicContact CB-CG1 4.2Å; L652-V684 HydrophobicContact CD2-CB 3.96Å; L652-V684 HydrophobicContact CD2-CG1 3.78Å; L652-V684 PolarHBondContact N-O 3.14Å; L652-V684 VanDerWaalsContact N-O 3.16Å; P682-V684 PolarHBondContact O-N 3.15Å
685	I	91	Very high	78.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.7	-178.7	-54.2	-176.1	0	0	0	108.7	V594 H595 V596 I597 F636 M649 W650 W683	V594-I685 HydrophobicContact CG1-CD1 3.5Å; V594-I685 VanDerWaalsContact CG1-CD1 3.5Å; V594-I685 HydrophobicContact CG1-CG1 3.96Å; H595-I685 PolarHBondContact O-N 2.94Å; V596-I685 CarbonylContact C-O 3.09Å; V596-I685 VanDerWaalsContact CA-O 3.31Å; V596-I685 WeakPolarHBondContact CA-O 3.35Å; I597-I685 PolarHBondContact N-O 3.17Å; F636-I685 HydrophobicContact CZ-CD1 4.45Å; M649-I685 HydrophobicContact CB-CG2 4.17Å; M649-I685 HydrophobicContact CE-CD1 3.48Å; M649-I685 VanDerWaalsContact CE-CD1 3.48Å; M649-I685 HydrophobicContact CE-CG2 4.22Å; M649-I685 HydrophobicContact CG-CG2 4.36Å; W650-I685 WeakPolarHBondContact O-CA 3.45Å; W683-I685 HydrophobicContact CD2-CD1 3.99Å; W683-I685 HydrophobicContact CD2-CG1 4.35Å; W683-I685 HydrophobicContact CE3-CD1 4.49Å; W683-I685 HydrophobicContact CG-CD1 4.47Å; W683-I685 HydrophobicContact CG-CG1 4.34Å; W683-I685 HydrophobicContact CH2-CD1 4.23Å; W683-I685 HydrophobicContact CZ2-CD1 3.68Å; W683-I685 HydrophobicContact CZ2-CG1 4.44Å
686	W	91.9	Very high	78.5	Confident	1 Å²	1	62 Å²	62	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.9	161	169.1	54.5	0	0	0	108.8	I597 F602 W650 F660 Q688 L708 F710	I597-W686 WeakPolarHBondContact O-CA 3.45Å; I597-W686 VanDerWaalsContact O-CD1 3.3Å; F602-W686 AromaticContact CE2-CD1 3.95Å; F602-W686 HydrophobicContact CE2-CD2 4.23Å; F602-W686 AromaticContact CE2-CE2 3.74Å; F602-W686 HydrophobicContact CE2-CG 4.39Å; F602-W686 HydrophobicContact CE2-CZ2 4.17Å; F602-W686 AromaticContact CE2-NE1 3.52Å; F602-W686 AromaticContact CZ-CD1 3.49Å; F602-W686 VanDerWaalsContact CZ-CD1 3.49Å; F602-W686 HydrophobicContact CZ-CD2 4.15Å; F602-W686 AromaticContact CZ-CG 3.87Å; F602-W686 HydrophobicContact CZ-CG 3.87Å; F602-W686 AromaticContact CZ-NE1 3.58Å; W650-W686 HydrophobicContact CB-CB 4.23Å; W650-W686 HydrophobicContact CB-CD2 4.33Å; W650-W686 HydrophobicContact CB-CE3 3.53Å; W650-W686 HydrophobicContact CB-CZ3 4.21Å; W650-W686 WeakPolarHBondContact CB-O 3.4Å; W650-W686 AromaticContact CD1-CD2 3.91Å; W650-W686 AromaticContact CD1-CE3 3.2Å; W650-W686 AromaticContact CD1-CZ3 3.24Å; W650-W686 HydrophobicContact CD2-CE3 4.14Å; W650-W686 AromaticContact CD2-CZ3 3.9Å; W650-W686 HydrophobicContact CD2-CZ3 3.9Å; W650-W686 AromaticContact CE2-CZ3 3.76Å; W650-W686 HydrophobicContact CG-CD2 4.31Å; W650-W686 AromaticContact CG-CE3 3.35Å; W650-W686 HydrophobicContact CG-CE3 3.35Å; W650-W686 AromaticContact CG-CZ3 3.55Å; W650-W686 HydrophobicContact CG-CZ3 3.55Å; W650-W686 PolarHBondContact N-O 3.16Å; W650-W686 AromaticContact NE1-CE3 3.85Å; W650-W686 AromaticContact NE1-CH2 3.88Å; W650-W686 AromaticContact NE1-CZ3 3.35Å; W650-W686 PolarHBondContact O-N 3.3Å; F660-W686 HydrophobicContact CD1-CB 4.18Å; F660-W686 HydrophobicContact CD1-CE3 4.41Å; F660-W686 HydrophobicContact CD2-CE3 4.49Å; F660-W686 HydrophobicContact CE1-CB 3.57Å; F660-W686 HydrophobicContact CE1-CE3 4.34Å; F660-W686 HydrophobicContact CE1-CG 4.36Å; F660-W686 HydrophobicContact CE2-CE3 4.42Å; F660-W686 HydrophobicContact CG-CE3 4.46Å; F660-W686 HydrophobicContact CZ-CB 4.16Å; F660-W686 HydrophobicContact CZ-CE3 4.32Å; W686-Q688 HydrophobicContact CH2-CB 4.18Å; W686-Q688 HydrophobicContact CH2-CG 4.36Å; W686-Q688 HydrophobicContact CZ2-CB 3.98Å; W686-Q688 HydrophobicContact CZ2-CG 4.22Å; W686-L708 HydrophobicContact CH2-CD2 3.92Å; W686-L708 HydrophobicContact CZ3-CD2 3.48Å; W686-L708 VanDerWaalsContact CZ3-CD2 3.48Å; W686-F710 HydrophobicContact CE3-CZ 4.02Å; W686-F710 AromaticContact CH2-CE1 3.75Å; W686-F710 HydrophobicContact CH2-CE1 3.75Å; W686-F710 AromaticContact CH2-CZ 3.7Å; W686-F710 HydrophobicContact CH2-CZ 3.7Å; W686-F710 HydrophobicContact CZ2-CE1 4.05Å; W686-F710 HydrophobicContact CZ2-CZ 4.3Å; W686-F710 HydrophobicContact CZ3-CE1 4.11Å; W686-F710 AromaticContact CZ3-CZ 3.56Å; W686-F710 HydrophobicContact CZ3-CZ 3.56Å
687	L	92.2	Very high	78.5	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.5	-178.8	-176.9	68.1	0	0	0	109	V596 I597 L598 F636 F640 M647 M649 L689	V596-L687 HydrophobicContact CG1-CB 3.5Å; V596-L687 VanDerWaalsContact CG1-CB 3.5Å; V596-L687 HydrophobicContact CG1-CD2 3.89Å; V596-L687 HydrophobicContact CG1-CG 4.37Å; I597-L687 PolarHBondContact O-N 3.41Å; L598-L687 HydrophobicContact CD2-CB 4.19Å; L598-L687 HydrophobicContact CD2-CD2 4.48Å; F636-L687 HydrophobicContact CD2-CD1 4.41Å; F640-L687 HydrophobicContact CD2-CD2 3.53Å; F640-L687 HydrophobicContact CE2-CD2 3.32Å; F640-L687 HydrophobicContact CG-CD2 4.26Å; F640-L687 HydrophobicContact CZ-CD2 3.89Å; M647-L687 HydrophobicContact CB-CD1 4.27Å; M647-L687 HydrophobicContact CE-CD1 4.08Å; M647-L687 HydrophobicContact CE-CD2 3.59Å; M647-L687 HydrophobicContact CE-CG 4.22Å; M649-L687 HydrophobicContact CG-CD1 3.9Å; L687-L689 HydrophobicContact CD2-CD2 3.99Å; L687-L689 HydrophobicContact CG-CD2 3.89Å; L687-L689 HydrophobicContact CG-CG 4.49Å
688	Q	91	Very high	79.4	Confident	13 Å²	13	61.3 Å²	61.3	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.4	176.4	-178.6	174	28.1	0	0	109.2	M647 R648 W686 L698 C726	M647-Q688 CarbonylContact C-O 3.52Å; M647-Q688 WeakPolarHBondContact CA-O 3.32Å; R648-Q688 HydrophobicContact CB-CB 4.29Å; R648-Q688 PolarHBondContact N-O 3.36Å; R648-Q688 PolarHBondContact O-N 2.98Å; W686-Q688 HydrophobicContact CH2-CB 4.18Å; W686-Q688 HydrophobicContact CH2-CG 4.36Å; W686-Q688 HydrophobicContact CZ2-CB 3.98Å; W686-Q688 HydrophobicContact CZ2-CG 4.22Å; Q688-L698 HydrophobicContact CG-CD1 4.4Å; Q688-C726 PolarHBondContact NE2-SG 2.82Å; Q688-C726 VanDerWaalsContact NE2-SG 3.39Å
689	L	89.3	Confident	80.2	Confident	45 Å²	45	63 Å²	63	24%	0.236	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.5	177.3	-57.4	179.7	0	0	0	109.7	L598 F640 V642 M647 L687	L598-L689 HydrophobicContact CD2-CD1 3.91Å; L598-L689 HydrophobicContact CD2-CG 4.29Å; F640-L689 HydrophobicContact CD1-CD1 4.43Å; V642-L689 HydrophobicContact CB-CD2 4.47Å; V642-L689 HydrophobicContact CG1-CD2 4.44Å; V642-L689 HydrophobicContact CG2-CD2 4.43Å; M647-L689 HydrophobicContact CB-CD2 4.37Å; M647-L689 HydrophobicContact CE-CD2 3.86Å; M647-L689 HydrophobicContact CG-CD2 3.79Å; L687-L689 HydrophobicContact CD2-CD2 3.99Å; L687-L689 HydrophobicContact CG-CD2 3.89Å; L687-L689 HydrophobicContact CG-CG 4.49Å
690	A	83.8	Confident	81.4	Confident	17 Å²	17	64.6 Å²	64.6	14%	0.14	37%	0.365	C	S	.	.			trans	-67.5	135.9	170.7	0	0	0	0	0	110.7	R646 L698	R646-A690 HydrophobicContact CB-CB 3.98Å; R646-A690 HydrophobicContact CG-CB 4.34Å; R646-A690 PolarHBondContact O-N 3.21Å; A690-L698 HydrophobicContact CB-CD2 3.84Å; A690-L698 HydrophobicContact CB-CG 4.1Å
691	W	75.6	Confident	82.4	Confident	153 Å²	153	63.5 Å²	63.5	58%	0.58	36%	0.36	S	S	*	.			trans	-54.4	142.2	173.8	-65.5	90.7	0	0	0	111.3	R646 D693 V694	R646-W691 PolarHBondContact NH2-O 2.85Å; W691-D693 PolarHBondContact O-N 3Å; W691-V694 HydrophobicContact CB-CG2 4.33Å; W691-V694 PolarHBondContact O-N 2.77Å
692	T	70.7	Confident	83	Confident	122 Å²	122	57.8 Å²	57.8	75%	0.748	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.4	179.1	45.9	0	0	0	0	112.3	V694	T692-V694 VanDerWaalsContact C-N 3.33Å; T692-V694 PolarHBondContact O-N 2.97Å
693	D	70.3	Confident	83.1	Confident	141 Å²	141	57 Å²	57	75%	0.754	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.1	-170.9	-54.9	-12.3	0	0	0	112.9	W691 P695	W691-D693 PolarHBondContact O-N 3Å; D693-P695 WeakPolarHBondContact O-CD 3.48Å
694	V	73.4	Confident	82.8	Confident	91 Å²	91	63.7 Å²	63.7	55%	0.552	36%	0.362	S	S	*	.	S	Bend	trans	-103.7	104.9	177.3	-174.4	0	0	0	0	109.2	R646 W691 T692 G696	R646-V694 PolarHBondContact NH2-O 3.43Å; W691-V694 HydrophobicContact CB-CG2 4.33Å; W691-V694 PolarHBondContact O-N 2.77Å; T692-V694 VanDerWaalsContact C-N 3.33Å; T692-V694 PolarHBondContact O-N 2.97Å; V694-G696 PolarHBondContact O-N 3.37Å
695	P	68.9	Low	82.6	Confident	124 Å²	124	66.8 Å²	66.8	81%	0.805	38%	0.381	S	S	*	.			trans	-74.6	116.9	176.8	28.2	-31.6	0	0	0	110.1	D693	D693-P695 WeakPolarHBondContact O-CD 3.48Å
696	G	77.7	Confident	82.5	Confident	33 Å²	33	69.1 Å²	69.1	34%	0.34	39%	0.392	S	S	.	.	S	Bend	trans	145.9	171.4	174.5	0	0	0	0	0	114.3	R646 V694	R646-G696 WeakPolarHBondContact CG-O 3.5Å; R646-G696 PolarHBondContact NE-O 3.41Å; V694-G696 PolarHBondContact O-N 3.37Å
697	P	83.5	Confident	82.3	Confident	85 Å²	85	69.1 Å²	69.1	55%	0.552	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-68.1	159.6	171.7	31.7	-35.7	0	0	0	111.3	Q645	Q645-P697 HydrophobicContact CB-CB 3.98Å; Q645-P697 WeakPolarHBondContact O-CA 3.32Å; Q645-P697 WeakPolarHBondContact O-CB 3.5Å
698	L	84.4	Confident	82.2	Confident	33 Å²	33	69 Å²	69	17%	0.173	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-63.7	144.7	168.6	-73.4	172.2	0	0	0	109.3	Q645 R648 Q688 A690	Q645-L698 PolarHBondContact O-N 3.36Å; R648-L698 HydrophobicContact CB-CD1 3.92Å; Q688-L698 HydrophobicContact CG-CD1 4.4Å; A690-L698 HydrophobicContact CB-CD2 3.84Å; A690-L698 HydrophobicContact CB-CG 4.1Å
699	P	84	Confident	82.1	Confident	77 Å²	77	68.4 Å²	68.4	50%	0.5	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-53.7	152.2	173.2	-22.8	32.1	0	0	0	111	R648	R648-P699 PolarHBondContact NH2-O 3.29Å
700	P	83.8	Confident	82.2	Confident	118 Å²	118	66.3 Å²	66.3	77%	0.766	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-63.2	149.1	167.3	28.9	-33.5	0	0	0	109.6
701	F	86.6	Confident	82.6	Confident	21 Å²	21	65.8 Å²	65.8	9%	0.092	37%	0.373	C	S	.	.			trans	-125.6	128.9	176.6	175.2	-102.1	0	0	0	109.9	R648 W650 H662 P703 E706 L708 Q728 Q784	R648-F701 VanDerWaalsContact CZ-CB 3.47Å; W650-F701 AromaticContact CH2-CD1 3.72Å; W650-F701 HydrophobicContact CH2-CD1 3.72Å; W650-F701 HydrophobicContact CH2-CD2 4.5Å; W650-F701 AromaticContact CH2-CE1 3.5Å; W650-F701 HydrophobicContact CH2-CE1 3.5Å; W650-F701 VanDerWaalsContact CH2-CE1 3.5Å; W650-F701 HydrophobicContact CH2-CE2 4.31Å; W650-F701 HydrophobicContact CH2-CG 4.22Å; W650-F701 AromaticContact CH2-CZ 3.83Å; W650-F701 HydrophobicContact CH2-CZ 3.83Å; W650-F701 HydrophobicContact CZ3-CD1 4.37Å; W650-F701 AromaticContact CZ3-CE1 3.89Å; W650-F701 HydrophobicContact CZ3-CE1 3.89Å; W650-F701 HydrophobicContact CZ3-CZ 4.37Å; H662-F701 HydrophobicContact CB-CD1 4.27Å; H662-F701 HydrophobicContact CB-CE1 4.1Å; H662-F701 AromaticContact CD2-CD1 3.72Å; H662-F701 AromaticContact CG-CD1 3.91Å; F701-P703 HydrophobicContact CE1-CB 3.84Å; F701-P703 HydrophobicContact CE1-CG 4.45Å; F701-P703 HydrophobicContact CZ-CB 4.37Å; F701-E706 WeakPolarHBondContact CA-OE2 3.43Å; F701-E706 HydrophobicContact CD2-CB 4.14Å; F701-E706 HydrophobicContact CE2-CB 3.86Å; F701-L708 HydrophobicContact CE2-CB 4.48Å; F701-Q728 HydrophobicContact CD2-CG 4.08Å; F701-Q784 HydrophobicContact CE1-CG 4.31Å; F701-Q784 HydrophobicContact CZ-CG 4.11Å
702	N	85.9	Confident	83.4	Confident	69 Å²	69	58.5 Å²	58.5	37%	0.369	35%	0.345	S	S	.	.			trans	-117.2	107.4	175.5	-177.2	-5.4	0	0	0	110.8	K704 T705 E706	N702-K704 PolarHBondContact O-N 2.84Å; N702-K704 WeakPolarHBondContact OD1-CB 3.3Å; N702-K704 PolarHBondContact OD1-N 3.48Å; N702-K704 VanDerWaalsContact OD1-N 3.08Å; N702-T705 WeakPolarHBondContact CB-OG1 3.37Å; N702-T705 PolarHBondContact ND2-OG1 3.12Å; N702-T705 PolarHBondContact O-N 3.4Å; N702-T705 VanDerWaalsContact O-N 3.08Å; N702-E706 PolarHBondContact N-OE2 2.93Å; N702-E706 WeakPolarHBondContact O-CB 3.24Å; N702-E706 PolarHBondContact O-N 3.14Å
703	P	82.9	Confident	84.4	Confident	36 Å²	36	53.7 Å²	53.7	23%	0.234	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.4	-176.7	25.4	-34.1	0	0	0	114.3	F701 H782	F701-P703 HydrophobicContact CE1-CB 3.84Å; F701-P703 HydrophobicContact CE1-CG 4.45Å; F701-P703 HydrophobicContact CZ-CB 4.37Å; P703-H782 HydrophobicContact CB-CB 4.41Å; P703-H782 PolarHBondContact O-CD2 3.08Å
704	K	82.2	Confident	85.4	Confident	149 Å²	149	47 Å²	47	65%	0.648	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-24.1	177.8	-62.9	-176.8	178.7	179.5	0	113.6	N702 H731	N702-K704 PolarHBondContact O-N 2.84Å; N702-K704 WeakPolarHBondContact OD1-CB 3.3Å; N702-K704 PolarHBondContact OD1-N 3.48Å; N702-K704 VanDerWaalsContact OD1-N 3.08Å; K704-H731 PolarHBondContact O-CE1 3.24Å; K704-H731 PolarHBondContact O-ND1 2.85Å
705	T	85.7	Confident	86.1	Confident	72 Å²	72	43.9 Å²	43.9	44%	0.442	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-15.5	-173.8	55.8	0	0	0	0	112.9	N702 H731	N702-T705 WeakPolarHBondContact CB-OG1 3.37Å; N702-T705 PolarHBondContact ND2-OG1 3.12Å; N702-T705 PolarHBondContact O-N 3.4Å; N702-T705 VanDerWaalsContact O-N 3.08Å; T705-H731 PolarHBondContact O-CD2 3.26Å; T705-H731 VanDerWaalsContact O-CG 3.29Å; T705-H731 PolarHBondContact O-N 3.14Å
706	E	88.4	Confident	86.9	Confident	50 Å²	50	38.6 Å²	38.6	23%	0.234	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.7	-175.1	-59.2	177.2	142	0	0	110.7	F701 N702 Q729 H731	F701-E706 WeakPolarHBondContact CA-OE2 3.43Å; F701-E706 HydrophobicContact CD2-CB 4.14Å; F701-E706 HydrophobicContact CE2-CB 3.86Å; N702-E706 PolarHBondContact N-OE2 2.93Å; N702-E706 WeakPolarHBondContact O-CB 3.24Å; N702-E706 PolarHBondContact O-N 3.14Å; E706-Q729 WeakPolarHBondContact CA-O 3.23Å; E706-H731 VanDerWaalsContact C-NE2 3.26Å; E706-H731 PolarHBondContact N-NE2 3.44Å; E706-H731 PolarHBondContact O-NE2 2.88Å
707	S	87.2	Confident	87.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.5	176.5	-73.4	0	0	0	0	110.6	Q729 H731	S707-Q729 PolarHBondContact N-O 2.93Å; S707-Q729 PolarHBondContact O-N 3.08Å; S707-H731 PolarHBondContact OG-CD2 3.04Å; S707-H731 VanDerWaalsContact OG-CD2 3.24Å; S707-H731 PolarHBondContact OG-NE2 3.44Å
708	L	90	Very high	87.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.4	168.6	-178.4	79.2	0	0	0	109.8	W650 W686 F701 F710 C726 Q728 Q784 G785 H786	W650-L708 HydrophobicContact CD2-CD2 4.36Å; W650-L708 HydrophobicContact CE3-CD2 4.43Å; W650-L708 HydrophobicContact CH2-CB 4Å; W650-L708 HydrophobicContact CH2-CD2 3.86Å; W650-L708 HydrophobicContact CH2-CG 4.34Å; W650-L708 HydrophobicContact CZ2-CB 4.47Å; W650-L708 HydrophobicContact CZ2-CD1 4.18Å; W650-L708 HydrophobicContact CZ2-CD2 3.75Å; W650-L708 HydrophobicContact CZ2-CG 4.35Å; W650-L708 HydrophobicContact CZ3-CD2 4.22Å; W686-L708 HydrophobicContact CH2-CD2 3.92Å; W686-L708 HydrophobicContact CZ3-CD2 3.48Å; W686-L708 VanDerWaalsContact CZ3-CD2 3.48Å; F701-L708 HydrophobicContact CE2-CB 4.48Å; L708-F710 HydrophobicContact CD2-CE2 3.96Å; L708-F710 HydrophobicContact CD2-CZ 3.88Å; L708-C726 HydrophobicContact CD1-CB 4.28Å; L708-Q728 HydrophobicContact CD1-CG 4.04Å; L708-Q784 HydrophobicContact CB-CB 4.19Å; L708-G785 PolarHBondContact O-N 2.82Å; L708-H786 PolarHBondContact O-N 3.41Å
709	L	89.8	Confident	87.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.4	178.6	-51	179.7	0	0	0	110.4	L711 C726 T727 Q729 L738 I772 L776 H786 L788	L709-L711 HydrophobicContact CB-CD2 4.48Å; L709-C726 CarbonylContact O-C 3.55Å; L709-C726 VanDerWaalsContact O-CA 3.3Å; L709-C726 WeakPolarHBondContact O-CA 3.45Å; L709-T727 HydrophobicContact CB-CG2 4.05Å; L709-T727 PolarHBondContact N-O 3.06Å; L709-T727 PolarHBondContact O-N 2.97Å; L709-Q729 HydrophobicContact CD1-CB 4.19Å; L709-Q729 HydrophobicContact CD1-CG 3.95Å; L709-L738 HydrophobicContact CD1-CD1 4.02Å; L709-I772 HydrophobicContact CD1-CD1 4.26Å; L709-L776 HydrophobicContact CD2-CD1 3.88Å; L709-H786 CarbonylContact C-O 3.59Å; L709-H786 WeakPolarHBondContact CA-O 3.03Å; L709-H786 HydrophobicContact CD2-CB 3.76Å; L709-L788 HydrophobicContact CD1-CD1 3.96Å
710	F	91.4	Very high	87.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.4	169.1	-67.8	-77.7	0	0	0	109.3	F602 L610 F660 W686 L708 Y723 C726 G785 H786 I787 L788	F602-F710 HydrophobicContact CD2-CE1 4.31Å; F602-F710 AromaticContact CE2-CE1 3.87Å; F602-F710 HydrophobicContact CE2-CE1 3.87Å; F602-F710 HydrophobicContact CE2-CZ 4.45Å; L610-F710 HydrophobicContact CD1-CD1 4.08Å; L610-F710 HydrophobicContact CD1-CD2 3.67Å; L610-F710 HydrophobicContact CD1-CE1 4.04Å; L610-F710 HydrophobicContact CD1-CE2 3.62Å; L610-F710 HydrophobicContact CD1-CG 3.9Å; L610-F710 HydrophobicContact CD1-CZ 3.81Å; L610-F710 HydrophobicContact CD2-CB 3.9Å; L610-F710 HydrophobicContact CD2-CD1 4Å; L610-F710 HydrophobicContact CD2-CD2 4.39Å; L610-F710 HydrophobicContact CD2-CG 3.85Å; F660-F710 AromaticContact CD2-CE2 3.9Å; F660-F710 HydrophobicContact CD2-CE2 3.9Å; F660-F710 HydrophobicContact CD2-CZ 4.16Å; F660-F710 AromaticContact CE2-CE2 3.68Å; F660-F710 HydrophobicContact CE2-CE2 3.68Å; F660-F710 AromaticContact CE2-CZ 3.75Å; F660-F710 HydrophobicContact CE2-CZ 3.75Å; W686-F710 HydrophobicContact CE3-CZ 4.02Å; W686-F710 AromaticContact CH2-CE1 3.75Å; W686-F710 HydrophobicContact CH2-CE1 3.75Å; W686-F710 AromaticContact CH2-CZ 3.7Å; W686-F710 HydrophobicContact CH2-CZ 3.7Å; W686-F710 HydrophobicContact CZ2-CE1 4.05Å; W686-F710 HydrophobicContact CZ2-CZ 4.3Å; W686-F710 HydrophobicContact CZ3-CE1 4.11Å; W686-F710 AromaticContact CZ3-CZ 3.56Å; W686-F710 HydrophobicContact CZ3-CZ 3.56Å; L708-F710 HydrophobicContact CD2-CE2 3.96Å; L708-F710 HydrophobicContact CD2-CZ 3.88Å; F710-Y723 HydrophobicContact CB-CE2 4.33Å; F710-Y723 AromaticContact CD1-CE2 3.87Å; F710-Y723 HydrophobicContact CD1-CE2 3.87Å; F710-Y723 WeakPolarHBondContact CD1-OH 3.33Å; F710-C726 HydrophobicContact CD1-CB 3.72Å; F710-C726 HydrophobicContact CE1-CB 3.85Å; F710-G785 VanDerWaalsContact CD2-CA 3.5Å; F710-H786 PolarHBondContact N-O 2.9Å; F710-I787 HydrophobicContact CB-CG1 4.15Å; F710-I787 WeakPolarHBondContact O-CA 3.41Å; F710-L788 PolarHBondContact O-N 3.2Å
711	L	91.5	Very high	87.8	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.6	-174.3	-49.2	174.7	0	0	0	109.5	L709 Y723 I724 G725 T727 V742 L788 F790	L709-L711 HydrophobicContact CB-CD2 4.48Å; L711-Y723 WeakPolarHBondContact O-CD2 3.37Å; L711-I724 HydrophobicContact CB-CB 4.22Å; L711-I724 HydrophobicContact CB-CD1 4.33Å; L711-I724 PolarHBondContact O-N 3.09Å; L711-G725 WeakPolarHBondContact CB-O 3.2Å; L711-G725 PolarHBondContact N-O 3.12Å; L711-T727 HydrophobicContact CD1-CG2 3.92Å; L711-T727 HydrophobicContact CD2-CG2 4.13Å; L711-T727 HydrophobicContact CG-CG2 4.19Å; L711-V742 HydrophobicContact CD1-CG2 4.16Å; L711-L788 HydrophobicContact CD2-CB 4.43Å; L711-F790 HydrophobicContact CB-CE2 4.37Å; L711-F790 HydrophobicContact CD2-CE2 3.72Å; L711-F790 HydrophobicContact CD2-CZ 4.22Å
712	K	92.3	Very high	87.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149	171.5	-73.4	-176.4	173.1	-178.2	0	110	K607 R608 R609 L721 N722 Y723 I787 L788 I789 F790	K607-K712 PolarHBondContact O-NZ 2.98Å; R608-K712 PolarHBondContact O-NZ 3.32Å; R609-K712 PolarHBondContact O-NZ 3.35Å; K712-L721 HydrophobicContact CD-CB 4.49Å; K712-L721 HydrophobicContact CD-CD1 4.43Å; K712-N722 CarbonylContact C-O 3.57Å; K712-N722 VanDerWaalsContact CA-O 3.22Å; K712-N722 WeakPolarHBondContact CA-O 3.46Å; K712-Y723 HydrophobicContact CG-CD2 4.37Å; K712-I787 HydrophobicContact CD-CG2 3.99Å; K712-I787 HydrophobicContact CG-CG2 4.26Å; K712-L788 PolarHBondContact N-O 2.9Å; K712-I789 HydrophobicContact CB-CG1 4.14Å; K712-I789 HydrophobicContact CB-CG2 4.4Å; K712-I789 CarbonylContact O-C 3.58Å; K712-I789 VanDerWaalsContact O-CA 3.3Å; K712-I789 WeakPolarHBondContact O-CA 3.4Å; K712-F790 PolarHBondContact O-N 3.02Å
713	Y	91.8	Very high	88.2	Confident	21 Å²	21	44.1 Å²	44.1	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.3	171.9	175.9	-106.4	0	0	0	109.5	D715 N722 L746 F748 F790 R792	Y713-D715 HydrophobicContact CD1-CB 4.49Å; Y713-D715 HydrophobicContact CE1-CB 4.16Å; Y713-N722 PolarHBondContact N-O 3.11Å; Y713-N722 PolarHBondContact O-N 2.98Å; Y713-L746 HydrophobicContact CD1-CD1 4.49Å; Y713-L746 HydrophobicContact CD1-CD2 4.23Å; Y713-L746 HydrophobicContact CD2-CD1 3.48Å; Y713-L746 VanDerWaalsContact CD2-CD1 3.48Å; Y713-L746 HydrophobicContact CE2-CD1 3.98Å; Y713-L746 HydrophobicContact CG-CD1 3.77Å; Y713-L746 HydrophobicContact CG-CD2 3.98Å; Y713-F748 HydrophobicContact CE1-CZ 4.26Å; Y713-F748 AromaticContact CE2-CE2 3.88Å; Y713-F748 HydrophobicContact CE2-CE2 3.88Å; Y713-F748 HydrophobicContact CE2-CZ 4.25Å; Y713-F748 AromaticContact CZ-CE2 3.9Å; Y713-F748 AromaticContact CZ-CZ 3.81Å; Y713-F790 WeakPolarHBondContact CA-O 3.25Å; Y713-F790 HydrophobicContact CD2-CB 4.31Å; Y713-F790 VanDerWaalsContact CD2-O 3.22Å; Y713-F790 WeakPolarHBondContact CD2-O 3.27Å; Y713-R792 HydrophobicContact CE2-CG 4.46Å; Y713-R792 PolarHBondContact OH-NE 3.11Å
714	Y	91.4	Very high	88.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.2	173.2	179	-119.1	0	0	0	110.8	P716 L721 F790 L801 V804 Y807	Y714-P716 HydrophobicContact CD1-CB 4.43Å; Y714-P716 HydrophobicContact CE1-CB 3.82Å; Y714-P716 VanDerWaalsContact O-CD 3.27Å; Y714-P716 WeakPolarHBondContact O-CD 3.49Å; Y714-L721 HydrophobicContact CD2-CD2 4.03Å; Y714-L721 HydrophobicContact CD2-CG 4.45Å; Y714-L721 HydrophobicContact CG-CD2 4.36Å; Y714-F790 PolarHBondContact N-O 2.9Å; Y714-L801 WeakPolarHBondContact CE1-O 3.36Å; Y714-L801 VanDerWaalsContact OH-CB 3.26Å; Y714-L801 WeakPolarHBondContact OH-CB 3.21Å; Y714-L801 PolarHBondContact OH-O 3.26Å; Y714-V804 HydrophobicContact CD1-CG2 3.79Å; Y714-V804 HydrophobicContact CG-CG2 3.69Å; Y714-Y807 HydrophobicContact CD2-CD1 4.21Å; Y714-Y807 HydrophobicContact CD2-CG 4.15Å; Y714-Y807 AromaticContact CE2-CD1 3.95Å; Y714-Y807 HydrophobicContact CE2-CD1 3.95Å; Y714-Y807 AromaticContact CE2-CD2 3.65Å; Y714-Y807 HydrophobicContact CE2-CD2 3.65Å; Y714-Y807 HydrophobicContact CE2-CE2 4.31Å; Y714-Y807 AromaticContact CE2-CG 3.45Å; Y714-Y807 HydrophobicContact CE2-CG 3.45Å; Y714-Y807 VanDerWaalsContact CE2-CG 3.45Å
715	D	88.5	Confident	88.7	Confident	26 Å²	26	36.9 Å²	36.9	14%	0.139	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	101.8	173.7	-178	-3.8	0	0	0	109.8	Y713 R717 N718 K719 R720	Y713-D715 HydrophobicContact CD1-CB 4.49Å; Y713-D715 HydrophobicContact CE1-CB 4.16Å; D715-R717 PolarHBondContact O-N 3.05Å; D715-R717 WeakPolarHBondContact OD1-CB 3.1Å; D715-R717 PolarHBondContact OD1-N 3.18Å; D715-N718 PolarHBondContact O-N 3.04Å; D715-N718 PolarHBondContact OD2-ND2 2.87Å; D715-K719 PolarHBondContact O-N 3.29Å; D715-R720 HydrophobicContact CB-CG 4.39Å; D715-R720 PolarHBondContact N-O 2.78Å; D715-R720 PolarHBondContact O-N 2.75Å
716	P	85.9	Confident	88.9	Confident	13 Å²	13	34.4 Å²	34.4	8%	0.084	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.8	-176.7	27.1	-34.7	0	0	0	113.1	Y714 V795 L799	Y714-P716 HydrophobicContact CD1-CB 4.43Å; Y714-P716 HydrophobicContact CE1-CB 3.82Å; Y714-P716 VanDerWaalsContact O-CD 3.27Å; Y714-P716 WeakPolarHBondContact O-CD 3.49Å; P716-V795 HydrophobicContact CB-CG1 4.12Å; P716-V795 HydrophobicContact CG-CG1 3.84Å; P716-V795 HydrophobicContact CG-CG2 4.37Å; P716-L799 HydrophobicContact CB-CD1 4.04Å; P716-L799 HydrophobicContact CG-CD1 4.28Å
717	R	85.8	Confident	89	Confident	199 Å²	199	33.6 Å²	33.6	75%	0.751	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-42.4	178.2	-65.3	-179.4	178.3	-176.1	-0.7	111.4	D715 L799	D715-R717 PolarHBondContact O-N 3.05Å; D715-R717 WeakPolarHBondContact OD1-CB 3.1Å; D715-R717 PolarHBondContact OD1-N 3.18Å; R717-L799 HydrophobicContact CG-CD1 4.41Å
718	N	85.2	Confident	89.1	Confident	98 Å²	98	35.5 Å²	35.5	52%	0.524	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.8	-178.1	-67.4	-48	0	0	0	113.2	D715 R720	D715-N718 PolarHBondContact O-N 3.04Å; D715-N718 PolarHBondContact OD2-ND2 2.87Å; N718-R720 VanDerWaalsContact C-N 3.28Å; N718-R720 HydrophobicContact CB-CG 3.93Å; N718-R720 PolarHBondContact O-N 3.34Å
719	K	86.5	Confident	89.1	Confident	84 Å²	84	35.9 Å²	35.9	37%	0.365	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	45	178.7	-54.6	175.4	-175.7	-179.5	0	112	D715 D800 L801 Y807	D715-K719 PolarHBondContact O-N 3.29Å; K719-D800 IonicContact NZ-OD2 3.03Å; K719-D800 PolarHBondContact NZ-OD2 3.46Å; K719-L801 HydrophobicContact CD-CD1 4.28Å; K719-L801 HydrophobicContact CG-CD1 4.41Å; K719-Y807 WeakPolarHBondContact O-CE2 3.42Å
720	R	86.5	Confident	89.1	Confident	107 Å²	107	38.5 Å²	38.5	40%	0.404	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.5	-176.7	68	-179.9	-179.9	170.5	5.1	112.3	D715 N718 N722	D715-R720 HydrophobicContact CB-CG 4.39Å; D715-R720 PolarHBondContact N-O 2.78Å; D715-R720 PolarHBondContact O-N 2.75Å; N718-R720 VanDerWaalsContact C-N 3.28Å; N718-R720 HydrophobicContact CB-CG 3.93Å; N718-R720 PolarHBondContact O-N 3.34Å; R720-N722 WeakPolarHBondContact CD-OD1 3.34Å; R720-N722 PolarHBondContact NE-OD1 3.05Å
721	L	88.6	Confident	88.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.8	164.3	-71.3	172.3	0	0	0	109.5	H606 K712 Y714 I789 Y807 F808	H606-L721 PolarHBondContact ND1-O 3.04Å; H606-L721 VanDerWaalsContact ND1-O 3.17Å; K712-L721 HydrophobicContact CD-CB 4.49Å; K712-L721 HydrophobicContact CD-CD1 4.43Å; Y714-L721 HydrophobicContact CD2-CD2 4.03Å; Y714-L721 HydrophobicContact CD2-CG 4.45Å; Y714-L721 HydrophobicContact CG-CD2 4.36Å; L721-I789 HydrophobicContact CD2-CG2 3.6Å; L721-Y807 HydrophobicContact CD1-CD1 4.3Å; L721-Y807 HydrophobicContact CD1-CE1 3.86Å; L721-Y807 HydrophobicContact CG-CD1 4.2Å; L721-Y807 HydrophobicContact CG-CE1 3.76Å; L721-F808 HydrophobicContact CD1-CE1 3.63Å; L721-F808 HydrophobicContact CD1-CZ 4.05Å
722	N	89.4	Confident	88.7	Confident	38 Å²	38	44.1 Å²	44.1	20%	0.203	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.3	174.8	-51.6	-69.4	0	0	0	108.5	K712 Y713 R720	K712-N722 CarbonylContact C-O 3.57Å; K712-N722 VanDerWaalsContact CA-O 3.22Å; K712-N722 WeakPolarHBondContact CA-O 3.46Å; Y713-N722 PolarHBondContact N-O 3.11Å; Y713-N722 PolarHBondContact O-N 2.98Å; R720-N722 WeakPolarHBondContact CD-OD1 3.34Å; R720-N722 PolarHBondContact NE-OD1 3.05Å
723	Y	90.8	Very high	88.7	Confident	26 Å²	26	47.4 Å²	47.4	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.1	171.8	-178.8	-112.8	0	0	0	110.3	E599 F602 E603 L610 F710 L711 K712 G725 C726	E599-Y723 HydrophobicContact CG-CE1 3.7Å; E599-Y723 WeakPolarHBondContact OE1-CE1 3.47Å; E599-Y723 PolarHBondContact OE1-OH 3.45Å; F602-Y723 HydrophobicContact CB-CD1 3.95Å; F602-Y723 HydrophobicContact CB-CD2 4.39Å; F602-Y723 HydrophobicContact CB-CE1 4.02Å; F602-Y723 HydrophobicContact CB-CE2 4.46Å; F602-Y723 HydrophobicContact CB-CG 4.13Å; F602-Y723 HydrophobicContact CD2-CE1 4.23Å; F602-Y723 HydrophobicContact CD2-CE2 4.39Å; F602-Y723 AromaticContact CD2-CZ 3.91Å; E603-Y723 HydrophobicContact CG-CD1 4.16Å; L610-Y723 HydrophobicContact CD2-CD2 4.49Å; L610-Y723 HydrophobicContact CD2-CE2 4.26Å; F710-Y723 HydrophobicContact CB-CE2 4.33Å; F710-Y723 AromaticContact CD1-CE2 3.87Å; F710-Y723 HydrophobicContact CD1-CE2 3.87Å; F710-Y723 WeakPolarHBondContact CD1-OH 3.33Å; L711-Y723 WeakPolarHBondContact O-CD2 3.37Å; K712-Y723 HydrophobicContact CG-CD2 4.37Å; Y723-G725 WeakPolarHBondContact OH-CA 3.5Å; Y723-C726 PolarHBondContact OH-N 3.08Å; Y723-C726 VanDerWaalsContact OH-N 3.11Å
724	I	88.8	Confident	88.5	Confident	24 Å²	24	51.6 Å²	51.6	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	7.6	-176.8	-29.7	169	0	0	0	111.6	L711 V742 K745 L746	L711-I724 HydrophobicContact CB-CB 4.22Å; L711-I724 HydrophobicContact CB-CD1 4.33Å; L711-I724 PolarHBondContact O-N 3.09Å; I724-V742 HydrophobicContact CD1-CG1 4.07Å; I724-K745 HydrophobicContact CG2-CB 3.8Å; I724-K745 HydrophobicContact CG2-CD 4.15Å; I724-K745 PolarHBondContact O-NZ 3.04Å; I724-L746 HydrophobicContact CD1-CD1 4.29Å; I724-L746 HydrophobicContact CD1-CD2 4Å; I724-L746 HydrophobicContact CD1-CG 4.25Å; I724-L746 HydrophobicContact CG1-CD2 4.28Å; I724-L746 HydrophobicContact CG2-CD2 4.14Å; I724-L746 HydrophobicContact CG2-CG 4.49Å
725	G	88.3	Confident	88.2	Confident	8 Å²	8	51.6 Å²	51.6	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.6	178.1	-176.5	0	0	0	0	0	114.4	L711 Y723	L711-G725 WeakPolarHBondContact CB-O 3.2Å; L711-G725 PolarHBondContact N-O 3.12Å; Y723-G725 WeakPolarHBondContact OH-CA 3.5Å
726	C	89.7	Confident	88.2	Confident	21 Å²	21	53.1 Å²	53.1	14%	0.142	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	159.7	175.1	65.5	0	0	0	0	112.3	E599 Q688 L708 L709 F710 Y723	E599-C726 PolarHBondContact OE1-N 2.86Å; E599-C726 PolarHBondContact OE1-SG 3.29Å; Q688-C726 PolarHBondContact NE2-SG 2.82Å; Q688-C726 VanDerWaalsContact NE2-SG 3.39Å; L708-C726 HydrophobicContact CD1-CB 4.28Å; L709-C726 CarbonylContact O-C 3.55Å; L709-C726 VanDerWaalsContact O-CA 3.3Å; L709-C726 WeakPolarHBondContact O-CA 3.45Å; F710-C726 HydrophobicContact CD1-CB 3.72Å; F710-C726 HydrophobicContact CE1-CB 3.85Å; Y723-C726 PolarHBondContact OH-N 3.08Å; Y723-C726 VanDerWaalsContact OH-N 3.11Å
727	T	88.7	Confident	88.3	Confident	33 Å²	33	55.1 Å²	55.1	20%	0.202	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.7	176.8	-170.9	0	0	0	0	111.6	L709 L711 Q729	L709-T727 HydrophobicContact CB-CG2 4.05Å; L709-T727 PolarHBondContact N-O 3.06Å; L709-T727 PolarHBondContact O-N 2.97Å; L711-T727 HydrophobicContact CD1-CG2 3.92Å; L711-T727 HydrophobicContact CD2-CG2 4.13Å; L711-T727 HydrophobicContact CG-CG2 4.19Å; T727-Q729 HydrophobicContact CG2-CG 3.91Å; T727-Q729 PolarHBondContact OG1-NE2 3.13Å
728	Q	89.8	Confident	88.5	Confident	41 Å²	41	45.8 Å²	45.8	19%	0.192	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.9	175.6	-70	158	40.5	0	0	108	R648 F701 L708	R648-Q728 VanDerWaalsContact NH2-OE1 3.15Å; F701-Q728 HydrophobicContact CD2-CG 4.08Å; L708-Q728 HydrophobicContact CD1-CG 4.04Å
729	Q	90.1	Very high	88.7	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.2	-173.7	-63.5	-61.7	-22.7	0	0	111.8	E706 S707 L709 T727 L738 I772	E706-Q729 WeakPolarHBondContact CA-O 3.23Å; S707-Q729 PolarHBondContact N-O 2.93Å; S707-Q729 PolarHBondContact O-N 3.08Å; L709-Q729 HydrophobicContact CD1-CB 4.19Å; L709-Q729 HydrophobicContact CD1-CG 3.95Å; T727-Q729 HydrophobicContact CG2-CG 3.91Å; T727-Q729 PolarHBondContact OG1-NE2 3.13Å; Q729-L738 HydrophobicContact CG-CD2 3.83Å; Q729-I772 HydrophobicContact CB-CD1 3.63Å; Q729-I772 HydrophobicContact CG-CD1 4.31Å
730	P	90.1	Very high	88.8	Confident	54 Å²	54	40.8 Å²	40.8	35%	0.351	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	142.9	171.6	-19.8	31.8	0	0	0	111.4	T732 R733	P730-T732 PolarHBondContact O-N 2.83Å; P730-T732 VanDerWaalsContact O-N 3.13Å; P730-R733 WeakPolarHBondContact O-CB 3.35Å; P730-R733 PolarHBondContact O-N 2.85Å
731	H	87.4	Confident	88.9	Confident	17 Å²	17	39 Å²	39	8%	0.079	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.5	178.2	-72.6	178.2	0	0	0	113.9	K704 T705 E706 S707 P771 I772 E773	K704-H731 PolarHBondContact O-CE1 3.24Å; K704-H731 PolarHBondContact O-ND1 2.85Å; T705-H731 PolarHBondContact O-CD2 3.26Å; T705-H731 VanDerWaalsContact O-CG 3.29Å; T705-H731 PolarHBondContact O-N 3.14Å; E706-H731 VanDerWaalsContact C-NE2 3.26Å; E706-H731 PolarHBondContact N-NE2 3.44Å; E706-H731 PolarHBondContact O-NE2 2.88Å; S707-H731 PolarHBondContact OG-CD2 3.04Å; S707-H731 VanDerWaalsContact OG-CD2 3.24Å; S707-H731 PolarHBondContact OG-NE2 3.44Å; H731-P771 WeakPolarHBondContact O-CB 3.48Å; H731-I772 PolarHBondContact O-N 2.83Å; H731-E773 HydrophobicContact CB-CB 3.93Å; H731-E773 HydrophobicContact CB-CG 4.23Å; H731-E773 IonicContact ND1-OE2 2.95Å; H731-E773 PolarHBondContact O-N 3.33Å
732	T	87.6	Confident	88.9	Confident	109 Å²	109	39 Å²	39	67%	0.669	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-12.3	-179	59.3	0	0	0	0	114	P730	P730-T732 PolarHBondContact O-N 2.83Å; P730-T732 VanDerWaalsContact O-N 3.13Å
733	R	90.8	Very high	89	Confident	68 Å²	68	37.2 Å²	37.2	26%	0.257	20%	0.196	S	C	.	.	S	Bend	trans	-70.3	141.1	179.3	-169.8	178.9	-177.2	172	-2.8	109.1	P730 D737 D741 P771 I772	P730-R733 WeakPolarHBondContact O-CB 3.35Å; P730-R733 PolarHBondContact O-N 2.85Å; R733-D737 HydrophobicContact CG-CB 4.27Å; R733-D737 PolarHBondContact NH2-O 3.46Å; R733-D741 IonicContact CZ-OD2 3.83Å; R733-D741 IonicContact NH1-OD2 2.9Å; R733-D741 PolarHBondContact NH1-OD2 3.26Å; R733-D741 IonicContact NH2-OD1 2.68Å; R733-D741 IonicContact NH2-OD2 3.38Å; R733-D741 PolarHBondContact NH2-OD2 3.09Å; R733-P771 WeakPolarHBondContact O-CA 3.42Å; R733-I772 HydrophobicContact CB-CD1 4.09Å; R733-I772 VanDerWaalsContact O-CG1 3.32Å; R733-I772 WeakPolarHBondContact O-CG1 3.47Å; R733-I772 PolarHBondContact O-N 2.78Å
734	R	88.8	Confident	88.9	Confident	110 Å²	110	40.6 Å²	40.6	42%	0.415	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-81.4	148.2	177.1	-53.1	173.1	-62.8	172.5	6.1	110.1	I736 D737 N769 E770	R734-I736 VanDerWaalsContact C-N 3.32Å; R734-I736 HydrophobicContact CB-CG2 4.17Å; R734-I736 PolarHBondContact O-N 3.13Å; R734-D737 WeakPolarHBondContact CB-OD2 3.48Å; R734-D737 IonicContact CZ-OD1 3.28Å; R734-D737 IonicContact CZ-OD2 3.61Å; R734-D737 IonicContact NE-OD1 2.94Å; R734-D737 IonicContact NE-OD2 3.71Å; R734-D737 PolarHBondContact NE-OD2 2.91Å; R734-D737 IonicContact NH2-OD1 3.18Å; R734-D737 PolarHBondContact NH2-OD1 2.94Å; R734-D737 IonicContact NH2-OD2 3.8Å; R734-D737 PolarHBondContact NH2-OD2 2.8Å; R734-D737 WeakPolarHBondContact O-CB 3.47Å; R734-D737 PolarHBondContact O-N 3Å; R734-N769 WeakPolarHBondContact CD-O 3.46Å; R734-E770 WeakPolarHBondContact CA-O 3.43Å
735	L	85.3	Confident	88.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.4	-37.6	-179.7	-78.8	173.2	0	0	0	113.2	D737 L738 I756 L765 L768 E770 I772 A775 L788	L735-D737 PolarHBondContact O-N 3.27Å; L735-L738 HydrophobicContact CD2-CD1 4.01Å; L735-L738 VanDerWaalsContact O-CB 3.3Å; L735-L738 WeakPolarHBondContact O-CB 3.37Å; L735-L738 PolarHBondContact O-N 3.19Å; L735-I756 HydrophobicContact CB-CD1 4.35Å; L735-L765 HydrophobicContact CD1-CD1 3.62Å; L735-L768 HydrophobicContact CB-CD2 4.42Å; L735-L768 PolarHBondContact N-O 3.34Å; L735-E770 PolarHBondContact N-O 3.48Å; L735-I772 HydrophobicContact CD2-CG1 3.9Å; L735-I772 HydrophobicContact CG-CG1 4.26Å; L735-A775 HydrophobicContact CD1-CB 3.3Å; L735-A775 HydrophobicContact CG-CB 4.13Å; L735-L788 HydrophobicContact CD2-CD1 4.11Å
736	I	87.6	Confident	88.8	Confident	58 Å²	58	46.3 Å²	46.3	30%	0.297	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60.1	-30.1	179.1	-167.4	62.2	0	0	0	112.4	R734 L738 V739 L768	R734-I736 VanDerWaalsContact C-N 3.32Å; R734-I736 HydrophobicContact CB-CG2 4.17Å; R734-I736 PolarHBondContact O-N 3.13Å; I736-L738 PolarHBondContact O-N 3.15Å; I736-L738 VanDerWaalsContact O-N 3.15Å; I736-V739 HydrophobicContact CD1-CG2 4.21Å; I736-V739 PolarHBondContact O-N 3.02Å; I736-V739 VanDerWaalsContact O-N 3.15Å; I736-L768 HydrophobicContact CB-CB 3.98Å; I736-L768 WeakPolarHBondContact CB-O 3.44Å; I736-L768 HydrophobicContact CD1-CB 4.19Å; I736-L768 HydrophobicContact CD1-CD1 3.98Å; I736-L768 PolarHBondContact N-O 2.89Å
737	D	89.1	Confident	88.7	Confident	54 Å²	54	48.6 Å²	48.6	29%	0.289	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-71.4	-7.2	179.8	-57.7	-37.8	0	0	0	112	R733 R734 L735	R733-D737 HydrophobicContact CG-CB 4.27Å; R733-D737 PolarHBondContact NH2-O 3.46Å; R734-D737 WeakPolarHBondContact CB-OD2 3.48Å; R734-D737 IonicContact CZ-OD1 3.28Å; R734-D737 IonicContact CZ-OD2 3.61Å; R734-D737 IonicContact NE-OD1 2.94Å; R734-D737 IonicContact NE-OD2 3.71Å; R734-D737 PolarHBondContact NE-OD2 2.91Å; R734-D737 IonicContact NH2-OD1 3.18Å; R734-D737 PolarHBondContact NH2-OD1 2.94Å; R734-D737 IonicContact NH2-OD2 3.8Å; R734-D737 PolarHBondContact NH2-OD2 2.8Å; R734-D737 WeakPolarHBondContact O-CB 3.47Å; R734-D737 PolarHBondContact O-N 3Å; L735-D737 PolarHBondContact O-N 3.27Å
738	L	88.6	Confident	88.7	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-85.9	-21.4	173.4	-58.9	176.4	0	0	0	113	L709 Q729 L735 I736 D741 V742 I772 L788	L709-L738 HydrophobicContact CD1-CD1 4.02Å; Q729-L738 HydrophobicContact CG-CD2 3.83Å; L735-L738 HydrophobicContact CD2-CD1 4.01Å; L735-L738 VanDerWaalsContact O-CB 3.3Å; L735-L738 WeakPolarHBondContact O-CB 3.37Å; L735-L738 PolarHBondContact O-N 3.19Å; I736-L738 PolarHBondContact O-N 3.15Å; I736-L738 VanDerWaalsContact O-N 3.15Å; L738-D741 WeakPolarHBondContact O-CB 3.28Å; L738-D741 PolarHBondContact O-N 2.73Å; L738-V742 WeakPolarHBondContact O-CG2 3.38Å; L738-V742 PolarHBondContact O-N 2.7Å; L738-V742 VanDerWaalsContact O-N 3.07Å; L738-I772 HydrophobicContact CD1-CD1 4.34Å; L738-L788 HydrophobicContact CD1-CD1 4.26Å
739	V	89.3	Confident	88.6	Confident	12 Å²	12	53.7 Å²	53.7	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-45.5	-176.5	172.2	0	0	0	0	112.3	I736 D741 V742 N743 L754 I756	I736-V739 HydrophobicContact CD1-CG2 4.21Å; I736-V739 PolarHBondContact O-N 3.02Å; I736-V739 VanDerWaalsContact O-N 3.15Å; V739-D741 VanDerWaalsContact C-N 3.31Å; V739-D741 PolarHBondContact O-N 2.83Å; V739-V742 PolarHBondContact O-N 3.17Å; V739-N743 PolarHBondContact O-N 2.99Å; V739-L754 HydrophobicContact CG1-CB 3.99Å; V739-L754 HydrophobicContact CG1-CD1 4.34Å; V739-L754 HydrophobicContact CG1-CG 4.23Å; V739-I756 HydrophobicContact CG2-CD1 4.38Å
740	P	88.8	Confident	88.2	Confident	64 Å²	64	57.5 Å²	57.5	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-38	176.5	-24	35.4	0	0	0	113.2	V742 N743 S744	P740-V742 VanDerWaalsContact C-N 3.33Å; P740-V742 PolarHBondContact O-N 3.45Å; P740-N743 PolarHBondContact O-N 3.01Å; P740-S744 PolarHBondContact O-N 3.26Å
741	D	88.8	Confident	87.9	Confident	70 Å²	70	61.3 Å²	61.3	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-41	177.8	-65.4	-7.2	0	0	0	110.7	R733 L738 V739 K745	R733-D741 IonicContact CZ-OD2 3.83Å; R733-D741 IonicContact NH1-OD2 2.9Å; R733-D741 PolarHBondContact NH1-OD2 3.26Å; R733-D741 IonicContact NH2-OD1 2.68Å; R733-D741 IonicContact NH2-OD2 3.38Å; R733-D741 PolarHBondContact NH2-OD2 3.09Å; L738-D741 WeakPolarHBondContact O-CB 3.28Å; L738-D741 PolarHBondContact O-N 2.73Å; V739-D741 VanDerWaalsContact C-N 3.31Å; V739-D741 PolarHBondContact O-N 2.83Å; D741-K745 WeakPolarHBondContact O-CG 2.9Å; D741-K745 PolarHBondContact O-N 3.09Å; D741-K745 VanDerWaalsContact O-N 3.14Å
742	V	89.8	Confident	87.9	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-70.8	-42.1	177.1	174	0	0	0	0	111.7	L711 I724 L738 V739 P740 S744 K745 L746 L754 F790	L711-V742 HydrophobicContact CD1-CG2 4.16Å; I724-V742 HydrophobicContact CD1-CG1 4.07Å; L738-V742 WeakPolarHBondContact O-CG2 3.38Å; L738-V742 PolarHBondContact O-N 2.7Å; L738-V742 VanDerWaalsContact O-N 3.07Å; V739-V742 PolarHBondContact O-N 3.17Å; P740-V742 VanDerWaalsContact C-N 3.33Å; P740-V742 PolarHBondContact O-N 3.45Å; V742-S744 VanDerWaalsContact C-N 3.29Å; V742-S744 PolarHBondContact O-N 3.13Å; V742-K745 PolarHBondContact O-N 3.21Å; V742-K745 VanDerWaalsContact O-N 3.16Å; V742-L746 HydrophobicContact CG1-CD1 3.68Å; V742-L746 HydrophobicContact CG1-CG 4.23Å; V742-L746 WeakPolarHBondContact O-CB 3.48Å; V742-L746 WeakPolarHBondContact O-CG 3.16Å; V742-L746 PolarHBondContact O-N 2.99Å; V742-L754 HydrophobicContact CB-CD1 4.33Å; V742-L754 HydrophobicContact CG1-CD1 3.79Å; V742-F790 HydrophobicContact CB-CD1 4.35Å; V742-F790 HydrophobicContact CB-CE1 4.35Å; V742-F790 HydrophobicContact CG1-CB 4.24Å; V742-F790 HydrophobicContact CG1-CD1 4.05Å; V742-F790 HydrophobicContact CG1-CD2 4.16Å; V742-F790 HydrophobicContact CG1-CG 3.88Å; V742-F790 HydrophobicContact CG2-CD1 4.21Å; V742-F790 HydrophobicContact CG2-CD2 4.18Å; V742-F790 HydrophobicContact CG2-CE1 3.83Å; V742-F790 HydrophobicContact CG2-CE2 3.85Å; V742-F790 HydrophobicContact CG2-CG 4.38Å; V742-F790 HydrophobicContact CG2-CZ 3.66Å
743	N	90.6	Very high	87.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-44.7	174.8	-80	-24.7	0	0	0	111.1	V739 P740 K745 L746 G747 F748 P750 T752 L754	V739-N743 PolarHBondContact O-N 2.99Å; P740-N743 PolarHBondContact O-N 3.01Å; N743-K745 PolarHBondContact O-N 3.28Å; N743-L746 PolarHBondContact O-N 3.16Å; N743-G747 PolarHBondContact O-N 2.87Å; N743-F748 HydrophobicContact CB-CB 4.22Å; N743-F748 PolarHBondContact O-N 2.86Å; N743-P750 PolarHBondContact ND2-O 3.24Å; N743-P750 VanDerWaalsContact ND2-O 3.1Å; N743-T752 PolarHBondContact ND2-O 3.39Å; N743-L754 WeakPolarHBondContact OD1-CD1 3.28Å; N743-L754 WeakPolarHBondContact OD1-CG 3.21Å
744	S	89.4	Confident	87.8	Confident	97 Å²	97	59.6 Å²	59.6	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-43.8	175.6	-179.1	0	0	0	0	112.4	P740 V742 L746 G747	P740-S744 PolarHBondContact O-N 3.26Å; V742-S744 VanDerWaalsContact C-N 3.29Å; V742-S744 PolarHBondContact O-N 3.13Å; S744-L746 PolarHBondContact O-N 2.88Å; S744-G747 PolarHBondContact O-N 2.94Å
745	K	86.9	Confident	87.8	Confident	107 Å²	107	54.8 Å²	54.8	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-34.6	177.3	-76.1	-177	167.2	-138.9	0	113.7	I724 D741 V742 N743 G747	I724-K745 HydrophobicContact CG2-CB 3.8Å; I724-K745 HydrophobicContact CG2-CD 4.15Å; I724-K745 PolarHBondContact O-NZ 3.04Å; D741-K745 WeakPolarHBondContact O-CG 2.9Å; D741-K745 PolarHBondContact O-N 3.09Å; D741-K745 VanDerWaalsContact O-N 3.14Å; V742-K745 PolarHBondContact O-N 3.21Å; V742-K745 VanDerWaalsContact O-N 3.16Å; N743-K745 PolarHBondContact O-N 3.28Å; K745-G747 VanDerWaalsContact C-N 3.31Å
746	L	87.5	Confident	88	Confident	45 Å²	45	54.8 Å²	54.8	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-83.8	-6.4	178.4	-68.5	174	0	0	0	113.3	Y713 I724 V742 N743 S744 F748	Y713-L746 HydrophobicContact CD1-CD1 4.49Å; Y713-L746 HydrophobicContact CD1-CD2 4.23Å; Y713-L746 HydrophobicContact CD2-CD1 3.48Å; Y713-L746 VanDerWaalsContact CD2-CD1 3.48Å; Y713-L746 HydrophobicContact CE2-CD1 3.98Å; Y713-L746 HydrophobicContact CG-CD1 3.77Å; Y713-L746 HydrophobicContact CG-CD2 3.98Å; I724-L746 HydrophobicContact CD1-CD1 4.29Å; I724-L746 HydrophobicContact CD1-CD2 4Å; I724-L746 HydrophobicContact CD1-CG 4.25Å; I724-L746 HydrophobicContact CG1-CD2 4.28Å; I724-L746 HydrophobicContact CG2-CD2 4.14Å; I724-L746 HydrophobicContact CG2-CG 4.49Å; V742-L746 HydrophobicContact CG1-CD1 3.68Å; V742-L746 HydrophobicContact CG1-CG 4.23Å; V742-L746 WeakPolarHBondContact O-CB 3.48Å; V742-L746 WeakPolarHBondContact O-CG 3.16Å; V742-L746 PolarHBondContact O-N 2.99Å; N743-L746 PolarHBondContact O-N 3.16Å; S744-L746 PolarHBondContact O-N 2.88Å; L746-F748 VanDerWaalsContact C-N 3.31Å; L746-F748 HydrophobicContact CB-CD1 4.16Å; L746-F748 HydrophobicContact CB-CD2 4Å; L746-F748 HydrophobicContact CB-CE1 4.14Å; L746-F748 HydrophobicContact CB-CE2 4.01Å; L746-F748 HydrophobicContact CB-CG 4.07Å; L746-F748 HydrophobicContact CB-CZ 4.06Å; L746-F748 HydrophobicContact CD1-CD2 4.11Å; L746-F748 HydrophobicContact CD1-CE2 3.7Å; L746-F748 HydrophobicContact CD1-CZ 4.23Å; L746-F748 HydrophobicContact CG-CE2 4.48Å
747	G	87.6	Confident	88.1	Confident	68 Å²	68	52.9 Å²	52.9	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	27.6	-174.3	0	0	0	0	0	113.4	N743 S744 K745	N743-G747 PolarHBondContact O-N 2.87Å; S744-G747 PolarHBondContact O-N 2.94Å; K745-G747 VanDerWaalsContact C-N 3.31Å
748	F	89.3	Confident	88.1	Confident	45 Å²	45	50.4 Å²	50.4	20%	0.197	29%	0.287	C	S	.	.			trans	-90.3	161.8	174.3	-63.2	-10.5	0	0	0	111	Y713 N743 L746 T752 L754 R792	Y713-F748 HydrophobicContact CE1-CZ 4.26Å; Y713-F748 AromaticContact CE2-CE2 3.88Å; Y713-F748 HydrophobicContact CE2-CE2 3.88Å; Y713-F748 HydrophobicContact CE2-CZ 4.25Å; Y713-F748 AromaticContact CZ-CE2 3.9Å; Y713-F748 AromaticContact CZ-CZ 3.81Å; N743-F748 HydrophobicContact CB-CB 4.22Å; N743-F748 PolarHBondContact O-N 2.86Å; L746-F748 VanDerWaalsContact C-N 3.31Å; L746-F748 HydrophobicContact CB-CD1 4.16Å; L746-F748 HydrophobicContact CB-CD2 4Å; L746-F748 HydrophobicContact CB-CE1 4.14Å; L746-F748 HydrophobicContact CB-CE2 4.01Å; L746-F748 HydrophobicContact CB-CG 4.07Å; L746-F748 HydrophobicContact CB-CZ 4.06Å; L746-F748 HydrophobicContact CD1-CD2 4.11Å; L746-F748 HydrophobicContact CD1-CE2 3.7Å; L746-F748 HydrophobicContact CD1-CZ 4.23Å; L746-F748 HydrophobicContact CG-CE2 4.48Å; F748-T752 HydrophobicContact CB-CG2 4.5Å; F748-T752 HydrophobicContact CD2-CG2 4.17Å; F748-L754 HydrophobicContact CD2-CD2 4.43Å; F748-L754 HydrophobicContact CE2-CD2 4.44Å; F748-R792 HydrophobicContact CE2-CG 4.46Å
749	E	86.6	Confident	87.9	Confident	137 Å²	137	52 Å²	52	64%	0.64	29%	0.294	S	S	*	.			trans	-62.8	139.3	171.1	-64.5	-62	151.2	0	0	109.7	D751 T752	E749-D751 WeakPolarHBondContact CB-OD1 3.49Å; E749-D751 PolarHBondContact O-N 3.34Å; E749-D751 VanDerWaalsContact O-N 3.07Å; E749-T752 VanDerWaalsContact O-CB 3.27Å; E749-T752 WeakPolarHBondContact O-CB 3.27Å; E749-T752 PolarHBondContact O-N 3.47Å; E749-T752 PolarHBondContact O-OG1 2.99Å
750	P	82.4	Confident	87.5	Confident	88 Å²	88	56.9 Å²	56.9	57%	0.571	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.1	-173.4	-27	34.7	0	0	0	115	N743 T752	N743-P750 PolarHBondContact ND2-O 3.24Å; N743-P750 VanDerWaalsContact ND2-O 3.1Å; P750-T752 VanDerWaalsContact C-N 3.34Å
751	D	83.3	Confident	87	Confident	134 Å²	134	55.7 Å²	55.7	72%	0.717	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	3.8	179.5	65.1	-23.4	0	0	0	113.8	E749 E753	E749-D751 WeakPolarHBondContact CB-OD1 3.49Å; E749-D751 PolarHBondContact O-N 3.34Å; E749-D751 VanDerWaalsContact O-N 3.07Å; D751-E753 PolarHBondContact O-N 2.93Å
752	T	87.1	Confident	86.6	Confident	34 Å²	34	56.3 Å²	56.3	21%	0.209	31%	0.311	C	S	.	.			trans	-62.5	120.9	176.4	-57.9	0	0	0	0	110.3	N743 F748 E749 P750 L754	N743-T752 PolarHBondContact ND2-O 3.39Å; F748-T752 HydrophobicContact CB-CG2 4.5Å; F748-T752 HydrophobicContact CD2-CG2 4.17Å; E749-T752 VanDerWaalsContact O-CB 3.27Å; E749-T752 WeakPolarHBondContact O-CB 3.27Å; E749-T752 PolarHBondContact O-N 3.47Å; E749-T752 PolarHBondContact O-OG1 2.99Å; P750-T752 VanDerWaalsContact C-N 3.34Å; T752-L754 HydrophobicContact CG2-CD2 4.2Å; T752-L754 PolarHBondContact O-N 2.91Å
753	E	87.8	Confident	86.3	Confident	117 Å²	117	62.1 Å²	62.1	55%	0.547	34%	0.336	S	S	.	.			trans	-70.2	112.3	177.3	-66.6	176.5	163.7	0	0	110.7	D751 E793 N794	D751-E753 PolarHBondContact O-N 2.93Å; E753-E793 HydrophobicContact CB-CB 4.17Å; E753-E793 PolarHBondContact O-N 3.16Å; E753-N794 PolarHBondContact OE2-ND2 2.89Å
754	L	88.9	Confident	86	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.6	174.2	-61.3	-176.2	0	0	0	110	V739 V742 N743 F748 T752 F790 E791 R792	V739-L754 HydrophobicContact CG1-CB 3.99Å; V739-L754 HydrophobicContact CG1-CD1 4.34Å; V739-L754 HydrophobicContact CG1-CG 4.23Å; V742-L754 HydrophobicContact CB-CD1 4.33Å; V742-L754 HydrophobicContact CG1-CD1 3.79Å; N743-L754 WeakPolarHBondContact OD1-CD1 3.28Å; N743-L754 WeakPolarHBondContact OD1-CG 3.21Å; F748-L754 HydrophobicContact CD2-CD2 4.43Å; F748-L754 HydrophobicContact CE2-CD2 4.44Å; T752-L754 HydrophobicContact CG2-CD2 4.2Å; T752-L754 PolarHBondContact O-N 2.91Å; L754-F790 HydrophobicContact CB-CD1 4.41Å; L754-F790 HydrophobicContact CD1-CB 4.34Å; L754-F790 HydrophobicContact CD1-CD1 4.23Å; L754-E791 WeakPolarHBondContact CA-O 3.49Å; L754-R792 HydrophobicContact CD2-CG 3.87Å
755	T	89.1	Confident	85.7	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.055	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.6	173.2	66.7	0	0	0	0	110.4	K764 F790 E791 E793	T755-K764 WeakPolarHBondContact OG1-CE 3.33Å; T755-K764 PolarHBondContact OG1-NZ 2.85Å; T755-K764 VanDerWaalsContact OG1-NZ 3.13Å; T755-F790 WeakPolarHBondContact O-CA 3.47Å; T755-E791 PolarHBondContact N-O 2.87Å; T755-E791 PolarHBondContact O-N 2.76Å; T755-E791 VanDerWaalsContact O-N 3.08Å; T755-E791 WeakPolarHBondContact OG1-CG 3.43Å; T755-E791 PolarHBondContact OG1-O 2.72Å; T755-E791 PolarHBondContact OG1-OE1 3.27Å; T755-E793 HydrophobicContact CG2-CB 3.89Å; T755-E793 HydrophobicContact CG2-CG 3.92Å
756	I	90.4	Very high	85.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.2	-171.7	-47.1	-173.9	0	0	0	109.5	L735 V739 L765 L768 L788 F790	L735-I756 HydrophobicContact CB-CD1 4.35Å; V739-I756 HydrophobicContact CG2-CD1 4.38Å; I756-L765 HydrophobicContact CB-CD1 4.39Å; I756-L765 HydrophobicContact CG2-CD1 3.99Å; I756-L765 PolarHBondContact O-N 2.86Å; I756-L768 HydrophobicContact CB-CD2 4.15Å; I756-L768 HydrophobicContact CD1-CD2 3.94Å; I756-L768 HydrophobicContact CG1-CD2 4.03Å; I756-L788 HydrophobicContact CG2-CB 4.13Å; I756-L788 HydrophobicContact CG2-CD1 4.38Å; I756-L788 HydrophobicContact CG2-CD2 4.18Å; I756-L788 HydrophobicContact CG2-CG 4.46Å; I756-F790 HydrophobicContact CD1-CD1 4.47Å; I756-F790 HydrophobicContact CD1-CE1 3.66Å; I756-F790 HydrophobicContact CD1-CZ 4.19Å; I756-F790 HydrophobicContact CG1-CD1 3.98Å; I756-F790 HydrophobicContact CG1-CE1 3.65Å; I756-F790 HydrophobicContact CG1-CZ 4.39Å; I756-F790 HydrophobicContact CG2-CE1 4.45Å; I756-F790 HydrophobicContact CG2-CZ 4.44Å
757	Y	88.9	Confident	84.9	Confident	18 Å²	18	66 Å²	66	7%	0.071	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.9	173.8	-170.1	-80.4	0	0	0	109.5	D762 K764 I789 V804 F808	Y757-D762 WeakPolarHBondContact OH-CA 3.49Å; Y757-D762 PolarHBondContact OH-O 2.86Å; Y757-D762 PolarHBondContact OH-OD1 3.35Å; Y757-D762 VanDerWaalsContact OH-OD1 3.04Å; Y757-K764 HydrophobicContact CD2-CB 4.39Å; Y757-I789 HydrophobicContact CD1-CD1 4.34Å; Y757-I789 PolarHBondContact N-O 3.32Å; Y757-I789 PolarHBondContact O-N 3.02Å; Y757-V804 HydrophobicContact CD1-CG1 3.91Å; Y757-V804 HydrophobicContact CD2-CB 4.42Å; Y757-V804 HydrophobicContact CD2-CG1 4.29Å; Y757-V804 HydrophobicContact CE1-CG1 4.23Å; Y757-V804 HydrophobicContact CG-CB 4.37Å; Y757-V804 HydrophobicContact CG-CG1 3.93Å; Y757-F808 HydrophobicContact CD1-CE2 4.15Å; Y757-F808 AromaticContact CE1-CD2 3.78Å; Y757-F808 HydrophobicContact CE1-CD2 3.78Å; Y757-F808 AromaticContact CE1-CE2 3.67Å; Y757-F808 HydrophobicContact CE1-CE2 3.67Å
758	D	88.1	Confident	84.6	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.8	174.6	179	4.6	0	0	0	109.3	Y760 A761 D762 K763 L765	D758-Y760 VanDerWaalsContact C-N 3.28Å; D758-Y760 PolarHBondContact O-N 2.84Å; D758-Y760 PolarHBondContact OD1-N 3.26Å; D758-A761 HydrophobicContact CB-CB 4.2Å; D758-A761 WeakPolarHBondContact OD2-CB 3.36Å; D758-D762 PolarHBondContact O-N 2.89Å; D758-K763 PolarHBondContact N-O 2.89Å; D758-K763 PolarHBondContact O-N 3.36Å; D758-L765 HydrophobicContact CB-CD1 4.35Å; D758-L765 HydrophobicContact CB-CD2 4Å; D758-L765 HydrophobicContact CB-CG 4.22Å
759	E	85.3	Confident	84.4	Confident	36 Å²	36	67 Å²	67	17%	0.168	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-35	-179.9	-172.4	-84	159.3	0	0	112.3	R608 I787 I789 F808	R608-E759 HydrophobicContact CB-CG 4.35Å; E759-I787 HydrophobicContact CB-CB 4.01Å; E759-I787 HydrophobicContact CB-CG2 4.34Å; E759-I787 PolarHBondContact N-O 3.43Å; E759-I789 HydrophobicContact CB-CD1 4.22Å; E759-F808 HydrophobicContact CG-CE2 4.49Å
760	Y	80.6	Confident	84.3	Confident	116 Å²	116	64 Å²	64	46%	0.455	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-42.6	-176.9	-179.9	-98.9	0	0	0	111.7	D758 D762 F777	D758-Y760 VanDerWaalsContact C-N 3.28Å; D758-Y760 PolarHBondContact O-N 2.84Å; D758-Y760 PolarHBondContact OD1-N 3.26Å; Y760-D762 VanDerWaalsContact C-N 3.29Å; Y760-F777 AromaticContact CE1-CD1 3.81Å; Y760-F777 HydrophobicContact CE1-CD1 3.81Å
761	A	78.6	Confident	84.5	Confident	39 Å²	39	61.8 Å²	61.8	32%	0.322	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.5	178.5	0	0	0	0	0	113.6	D758 K763	D758-A761 HydrophobicContact CB-CB 4.2Å; D758-A761 WeakPolarHBondContact OD2-CB 3.36Å; A761-K763 HydrophobicContact CB-CD 4.05Å; A761-K763 HydrophobicContact CB-CG 3.85Å; A761-K763 PolarHBondContact O-N 3.4Å; A761-K763 VanDerWaalsContact O-N 3.17Å
762	D	80.1	Confident	84.6	Confident	82 Å²	82	55.4 Å²	55.4	44%	0.439	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	39.2	-179.1	-153.7	50.7	0	0	0	112.5	R608 Y757 D758 Y760	R608-D762 IonicContact CZ-OD1 3.65Å; R608-D762 IonicContact NH1-OD1 3.21Å; R608-D762 PolarHBondContact NH1-OD1 2.84Å; R608-D762 IonicContact NH2-OD1 3.68Å; R608-D762 PolarHBondContact NH2-OD1 3.17Å; Y757-D762 WeakPolarHBondContact OH-CA 3.49Å; Y757-D762 PolarHBondContact OH-O 2.86Å; Y757-D762 PolarHBondContact OH-OD1 3.35Å; Y757-D762 VanDerWaalsContact OH-OD1 3.04Å; D758-D762 PolarHBondContact O-N 2.89Å; Y760-D762 VanDerWaalsContact C-N 3.29Å
763	K	83.9	Confident	84.4	Confident	123 Å²	123	58.3 Å²	58.3	54%	0.535	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.8	-174.7	72.4	-173	-176.2	-177.2	0	113.5	D758 A761	D758-K763 PolarHBondContact N-O 2.89Å; D758-K763 PolarHBondContact O-N 3.36Å; A761-K763 HydrophobicContact CB-CD 4.05Å; A761-K763 HydrophobicContact CB-CG 3.85Å; A761-K763 PolarHBondContact O-N 3.4Å; A761-K763 VanDerWaalsContact O-N 3.17Å
764	K	84.4	Confident	84.1	Confident	93 Å²	93	56.4 Å²	56.4	40%	0.404	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.1	169.5	-168	172	-171.6	160	0	110.3	T755 Y757 E791	T755-K764 WeakPolarHBondContact OG1-CE 3.33Å; T755-K764 PolarHBondContact OG1-NZ 2.85Å; T755-K764 VanDerWaalsContact OG1-NZ 3.13Å; Y757-K764 HydrophobicContact CD2-CB 4.39Å; K764-E791 IonicContact NZ-OE1 2.69Å
765	L	83.9	Confident	83.6	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.089	30%	0.301	C	S	.	.			trans	-81.6	118.5	178.5	-60.6	-179.7	0	0	0	109.7	L735 I756 D758 L768 L776	L735-L765 HydrophobicContact CD1-CD1 3.62Å; I756-L765 HydrophobicContact CB-CD1 4.39Å; I756-L765 HydrophobicContact CG2-CD1 3.99Å; I756-L765 PolarHBondContact O-N 2.86Å; D758-L765 HydrophobicContact CB-CD1 4.35Å; D758-L765 HydrophobicContact CB-CD2 4Å; D758-L765 HydrophobicContact CB-CG 4.22Å; L765-L768 HydrophobicContact CB-CD2 3.89Å; L765-L776 HydrophobicContact CD1-CD2 4.02Å
766	V	77.9	Confident	83.2	Confident	144 Å²	144	56.9 Å²	56.9	87%	0.873	30%	0.3	S	S	*	.	S	Bend	trans	-88.7	-34.7	-173.9	-174.9	0	0	0	0	112
767	N	79.2	Confident	82.3	Confident	78 Å²	78	63 Å²	63	42%	0.417	33%	0.326	S	S	.	.			trans	-107.2	88	-179.2	-164.4	-1.3	0	0	0	111.5	N769 E770	N767-N769 PolarHBondContact O-N 2.89Å; N767-N769 PolarHBondContact OD1-N 3.42Å; N767-E770 HydrophobicContact CB-CG 4.45Å; N767-E770 WeakPolarHBondContact ND2-CG 3.32Å; N767-E770 PolarHBondContact ND2-OE1 3.14Å
768	L	81.4	Confident	81.3	Confident	30 Å²	30	64.1 Å²	64.1	16%	0.157	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.3	-178.3	-56.9	-179.4	0	0	0	113.7	L735 I736 I756 L765	L735-L768 HydrophobicContact CB-CD2 4.42Å; L735-L768 PolarHBondContact N-O 3.34Å; I736-L768 HydrophobicContact CB-CB 3.98Å; I736-L768 WeakPolarHBondContact CB-O 3.44Å; I736-L768 HydrophobicContact CD1-CB 4.19Å; I736-L768 HydrophobicContact CD1-CD1 3.98Å; I736-L768 PolarHBondContact N-O 2.89Å; I756-L768 HydrophobicContact CB-CD2 4.15Å; I756-L768 HydrophobicContact CD1-CD2 3.94Å; I756-L768 HydrophobicContact CG1-CD2 4.03Å; L765-L768 HydrophobicContact CB-CD2 3.89Å
769	N	83.4	Confident	80.1	Confident	104 Å²	104	65.6 Å²	65.6	56%	0.556	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.8	-179.4	-73.3	-39.4	0	0	0	113.6	R734 N767	R734-N769 WeakPolarHBondContact CD-O 3.46Å; N767-N769 PolarHBondContact O-N 2.89Å; N767-N769 PolarHBondContact OD1-N 3.42Å
770	E	85.9	Confident	79	Confident	73 Å²	73	73 Å²	73	34%	0.341	38%	0.378	S	S	.	.	S	Bend	trans	-76.1	150.4	175.9	-74.6	176.1	-165.4	0	0	111.9	R734 L735 N767 A775	R734-E770 WeakPolarHBondContact CA-O 3.43Å; L735-E770 PolarHBondContact N-O 3.48Å; N767-E770 HydrophobicContact CB-CG 4.45Å; N767-E770 WeakPolarHBondContact ND2-CG 3.32Å; N767-E770 PolarHBondContact ND2-OE1 3.14Å; E770-A775 HydrophobicContact CB-CB 4.14Å
771	P	86.1	Confident	78.3	Confident	41 Å²	41	72.1 Å²	72.1	27%	0.266	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-58.7	149.5	168.9	-21.1	32.8	0	0	0	112	H731 R733 E773 S774 A775	H731-P771 WeakPolarHBondContact O-CB 3.48Å; R733-P771 WeakPolarHBondContact O-CA 3.42Å; P771-E773 VanDerWaalsContact C-N 3.25Å; P771-E773 HydrophobicContact CB-CG 4.25Å; P771-E773 PolarHBondContact O-N 3.43Å; P771-S774 PolarHBondContact O-N 3Å; P771-A775 WeakPolarHBondContact O-CB 3.28Å; P771-A775 PolarHBondContact O-N 3.32Å
772	I	85	Confident	78	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-52.8	-40.7	-179.3	-74	163.2	0	0	0	112.3	L709 Q729 H731 R733 L735 L738 S774 A775 L776	L709-I772 HydrophobicContact CD1-CD1 4.26Å; Q729-I772 HydrophobicContact CB-CD1 3.63Å; Q729-I772 HydrophobicContact CG-CD1 4.31Å; H731-I772 PolarHBondContact O-N 2.83Å; R733-I772 HydrophobicContact CB-CD1 4.09Å; R733-I772 VanDerWaalsContact O-CG1 3.32Å; R733-I772 WeakPolarHBondContact O-CG1 3.47Å; R733-I772 PolarHBondContact O-N 2.78Å; L735-I772 HydrophobicContact CD2-CG1 3.9Å; L735-I772 HydrophobicContact CG-CG1 4.26Å; L738-I772 HydrophobicContact CD1-CD1 4.34Å; I772-S774 VanDerWaalsContact C-N 3.28Å; I772-S774 PolarHBondContact O-N 3.13Å; I772-A775 PolarHBondContact O-N 3.48Å; I772-L776 HydrophobicContact CG2-CD1 3.93Å; I772-L776 HydrophobicContact CG2-CG 4.44Å; I772-L776 WeakPolarHBondContact O-CB 3.48Å; I772-L776 PolarHBondContact O-N 3.36Å
773	E	82.6	Confident	78.1	Confident	96 Å²	96	71.6 Å²	71.6	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-66.9	-25.4	179.8	63.9	-178.2	-179.7	0	0	114.7	H731 P771 I778	H731-E773 HydrophobicContact CB-CB 3.93Å; H731-E773 HydrophobicContact CB-CG 4.23Å; H731-E773 IonicContact ND1-OE2 2.95Å; H731-E773 PolarHBondContact O-N 3.33Å; P771-E773 VanDerWaalsContact C-N 3.25Å; P771-E773 HydrophobicContact CB-CG 4.25Å; P771-E773 PolarHBondContact O-N 3.43Å; E773-I778 HydrophobicContact CB-CD1 4.17Å
774	S	82.3	Confident	78.1	Confident	76 Å²	76	65.8 Å²	65.8	53%	0.531	34%	0.344	S	S	.	.	H	α-helix	trans	-89.8	-35.7	178.1	-60.8	0	0	0	0	111	P771 I772	P771-S774 PolarHBondContact O-N 3Å; I772-S774 VanDerWaalsContact C-N 3.28Å; I772-S774 PolarHBondContact O-N 3.13Å
775	A	78.7	Confident	78	Confident	22 Å²	22	61.5 Å²	61.5	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-81.8	-29.4	-175.8	0	0	0	0	0	113.7	L735 E770 P771 I772	L735-A775 HydrophobicContact CD1-CB 3.3Å; L735-A775 HydrophobicContact CG-CB 4.13Å; E770-A775 HydrophobicContact CB-CB 4.14Å; P771-A775 WeakPolarHBondContact O-CB 3.28Å; P771-A775 PolarHBondContact O-N 3.32Å; I772-A775 PolarHBondContact O-N 3.48Å
776	L	80.7	Confident	78.2	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	32%	0.322	C	S	.	.	S	Bend	trans	-106	139.2	175.7	-55.8	-177.6	0	0	0	110.4	L709 L765 I772 I778 H786 L788	L709-L776 HydrophobicContact CD2-CD1 3.88Å; L765-L776 HydrophobicContact CD1-CD2 4.02Å; I772-L776 HydrophobicContact CG2-CD1 3.93Å; I772-L776 HydrophobicContact CG2-CG 4.44Å; I772-L776 WeakPolarHBondContact O-CB 3.48Å; I772-L776 PolarHBondContact O-N 3.36Å; L776-I778 PolarHBondContact O-N 3.15Å; L776-H786 HydrophobicContact CD1-CB 4.25Å; L776-L788 HydrophobicContact CD1-CD2 4.31Å; L776-L788 HydrophobicContact CD2-CD2 3.9Å
777	F	70.5	Confident	78.7	Confident	128 Å²	128	54.2 Å²	54.2	56%	0.561	28%	0.282	S	S	*	.			trans	-73.2	101	172.8	178.3	-99.1	0	0	0	109.9	Y760 P779 H786	Y760-F777 AromaticContact CE1-CD1 3.81Å; Y760-F777 HydrophobicContact CE1-CD1 3.81Å; F777-P779 HydrophobicContact CE1-CB 4.05Å; F777-P779 HydrophobicContact CE1-CG 4.4Å; F777-P779 VanDerWaalsContact O-CD 3.3Å; F777-P779 WeakPolarHBondContact O-CD 3.24Å; F777-H786 PolarHBondContact O-CE1 2.75Å; F777-H786 VanDerWaalsContact O-CE1 3.23Å
778	I	68.2	Low	79.2	Confident	42 Å²	42	50.5 Å²	50.5	22%	0.215	26%	0.262	C	S	.	.			trans	-95.4	108.2	174.3	-55.2	176.9	0	0	0	108.4	E773 L776	E773-I778 HydrophobicContact CB-CD1 4.17Å; L776-I778 PolarHBondContact O-N 3.15Å
779	P	63.5	Low	79.7	Confident	33 Å²	33	49.1 Å²	49.1	21%	0.214	26%	0.255	C	S	.	.			trans	-64.9	152.4	177	20.5	-25.6	0	0	0	112	F777 D781 H782	F777-P779 HydrophobicContact CE1-CB 4.05Å; F777-P779 HydrophobicContact CE1-CG 4.4Å; F777-P779 VanDerWaalsContact O-CD 3.3Å; F777-P779 WeakPolarHBondContact O-CD 3.24Å; P779-D781 WeakPolarHBondContact CB-OD1 3.2Å; P779-D781 WeakPolarHBondContact CG-OD1 3.22Å; P779-D781 PolarHBondContact O-N 2.9Å; P779-H782 PolarHBondContact O-N 2.89Å
780	Q	61.9	Low	80.1	Confident	193 Å²	193	44.1 Å²	44.1	90%	0.902	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.1	-175.9	-72.3	-172.9	-15.3	0	0	114.3	H782	Q780-H782 PolarHBondContact O-N 2.88Å; Q780-H782 PolarHBondContact O-ND1 3.46Å
781	D	67.1	Low	80.4	Confident	96 Å²	96	41.1 Å²	41.1	51%	0.513	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.8	177.3	57.8	9.6	0	0	0	113.5	P779 L783	P779-D781 WeakPolarHBondContact CB-OD1 3.2Å; P779-D781 WeakPolarHBondContact CG-OD1 3.22Å; P779-D781 PolarHBondContact O-N 2.9Å; D781-L783 HydrophobicContact CB-CG 4.35Å; D781-L783 PolarHBondContact O-N 2.98Å; D781-L783 WeakPolarHBondContact OD1-CG 3.46Å; D781-L783 PolarHBondContact OD1-N 3.41Å; D781-L783 WeakPolarHBondContact OD2-CD1 3.4Å
782	H	71.3	Confident	80.4	Confident	81 Å²	81	44 Å²	44	38%	0.375	22%	0.22	S	C	.	.			trans	54	29.8	-179.4	-53.7	96.4	0	0	0	113.7	P703 P779 Q780 Q784	P703-H782 HydrophobicContact CB-CB 4.41Å; P703-H782 PolarHBondContact O-CD2 3.08Å; P779-H782 PolarHBondContact O-N 2.89Å; Q780-H782 PolarHBondContact O-N 2.88Å; Q780-H782 PolarHBondContact O-ND1 3.46Å; H782-Q784 WeakPolarHBondContact O-CG 3.49Å; H782-Q784 PolarHBondContact O-NE2 3.05Å
783	L	81.5	Confident	80.2	Confident	30 Å²	30	49 Å²	49	16%	0.157	24%	0.243	C	C	.	.			trans	-61.5	137.4	173.7	-72.9	177.8	0	0	0	111.3	C653 K659 D781	C653-L783 HydrophobicContact CB-CD2 4.01Å; C653-L783 WeakPolarHBondContact SG-CD2 3.46Å; K659-L783 HydrophobicContact CB-CB 4.27Å; K659-L783 HydrophobicContact CB-CD1 4.23Å; D781-L783 HydrophobicContact CB-CG 4.35Å; D781-L783 PolarHBondContact O-N 2.98Å; D781-L783 WeakPolarHBondContact OD1-CG 3.46Å; D781-L783 PolarHBondContact OD1-N 3.41Å; D781-L783 WeakPolarHBondContact OD2-CD1 3.4Å
784	Q	85.1	Confident	79.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-108.1	166.2	-172.1	-59.4	-60.6	-40.9	0	0	111.4	W650 F660 F701 L708 H782	W650-Q784 HydrophobicContact CE3-CB 4.47Å; W650-Q784 HydrophobicContact CZ3-CB 3.86Å; W650-Q784 HydrophobicContact CZ3-CG 3.86Å; F660-Q784 PolarHBondContact N-O 3.19Å; F660-Q784 WeakPolarHBondContact O-CB 3.31Å; F660-Q784 PolarHBondContact O-N 3.32Å; F701-Q784 HydrophobicContact CE1-CG 4.31Å; F701-Q784 HydrophobicContact CZ-CG 4.11Å; L708-Q784 HydrophobicContact CB-CB 4.19Å; H782-Q784 WeakPolarHBondContact O-CG 3.49Å; H782-Q784 PolarHBondContact O-NE2 3.05Å
785	G	82.9	Confident	79.6	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.021	24%	0.244	C	C	.	.			trans	93.8	55.7	178.1	0	0	0	0	0	113.2	K659 L708 F710	K659-G785 PolarHBondContact NZ-O 2.86Å; L708-G785 PolarHBondContact O-N 2.82Å; F710-G785 VanDerWaalsContact CD2-CA 3.5Å
786	H	86.4	Confident	79.4	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.8	166.3	-69.9	-91.9	0	0	0	109.5	L708 L709 F710 L776 F777	L708-H786 PolarHBondContact O-N 3.41Å; L709-H786 CarbonylContact C-O 3.59Å; L709-H786 WeakPolarHBondContact CA-O 3.03Å; L709-H786 HydrophobicContact CD2-CB 3.76Å; F710-H786 PolarHBondContact N-O 2.9Å; L776-H786 HydrophobicContact CD1-CB 4.25Å; F777-H786 PolarHBondContact O-CE1 2.75Å; F777-H786 VanDerWaalsContact O-CE1 3.23Å
787	I	88.9	Confident	79	Confident	6 Å²	6	57 Å²	57	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.2	179.9	-55.3	172	0	0	0	107.7	L610 F710 K712 E759 I789	L610-I787 HydrophobicContact CD1-CD1 4.46Å; L610-I787 HydrophobicContact CD2-CD1 4.01Å; L610-I787 HydrophobicContact CD2-CG1 4.21Å; L610-I787 HydrophobicContact CG-CD1 3.84Å; L610-I787 HydrophobicContact CG-CG1 4.37Å; F710-I787 HydrophobicContact CB-CG1 4.15Å; F710-I787 WeakPolarHBondContact O-CA 3.41Å; K712-I787 HydrophobicContact CD-CG2 3.99Å; K712-I787 HydrophobicContact CG-CG2 4.26Å; E759-I787 HydrophobicContact CB-CB 4.01Å; E759-I787 HydrophobicContact CB-CG2 4.34Å; E759-I787 PolarHBondContact N-O 3.43Å; I787-I789 HydrophobicContact CG2-CG1 4.28Å
788	L	90.6	Very high	79.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.3	174.2	-60.2	-176.4	0	0	0	109.4	L709 F710 L711 K712 L735 L738 I756 L776 F790	L709-L788 HydrophobicContact CD1-CD1 3.96Å; F710-L788 PolarHBondContact O-N 3.2Å; L711-L788 HydrophobicContact CD2-CB 4.43Å; K712-L788 PolarHBondContact N-O 2.9Å; L735-L788 HydrophobicContact CD2-CD1 4.11Å; L738-L788 HydrophobicContact CD1-CD1 4.26Å; I756-L788 HydrophobicContact CG2-CB 4.13Å; I756-L788 HydrophobicContact CG2-CD1 4.38Å; I756-L788 HydrophobicContact CG2-CD2 4.18Å; I756-L788 HydrophobicContact CG2-CG 4.46Å; L776-L788 HydrophobicContact CD1-CD2 4.31Å; L776-L788 HydrophobicContact CD2-CD2 3.9Å; L788-F790 HydrophobicContact CB-CE2 3.88Å; L788-F790 HydrophobicContact CB-CZ 4.32Å
789	I	91.4	Very high	79.9	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.3	-178.2	-51.1	170.2	0	0	0	108.5	K712 L721 Y757 E759 I787 V804 F808	K712-I789 HydrophobicContact CB-CG1 4.14Å; K712-I789 HydrophobicContact CB-CG2 4.4Å; K712-I789 CarbonylContact O-C 3.58Å; K712-I789 VanDerWaalsContact O-CA 3.3Å; K712-I789 WeakPolarHBondContact O-CA 3.4Å; L721-I789 HydrophobicContact CD2-CG2 3.6Å; Y757-I789 HydrophobicContact CD1-CD1 4.34Å; Y757-I789 PolarHBondContact N-O 3.32Å; Y757-I789 PolarHBondContact O-N 3.02Å; E759-I789 HydrophobicContact CB-CD1 4.22Å; I787-I789 HydrophobicContact CG2-CG1 4.28Å; I789-V804 HydrophobicContact CB-CG1 4.49Å; I789-V804 HydrophobicContact CD1-CG1 4.06Å; I789-V804 HydrophobicContact CG2-CG1 4.11Å; I789-V804 HydrophobicContact CG2-CG2 3.58Å; I789-F808 HydrophobicContact CD1-CE1 4.37Å; I789-F808 HydrophobicContact CD1-CE2 3.57Å; I789-F808 HydrophobicContact CD1-CZ 3.24Å
790	F	92.2	Very high	80.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136	-179.7	-63.3	-98.6	0	0	0	109.9	L711 K712 Y713 Y714 V742 L754 T755 I756 L788	L711-F790 HydrophobicContact CB-CE2 4.37Å; L711-F790 HydrophobicContact CD2-CE2 3.72Å; L711-F790 HydrophobicContact CD2-CZ 4.22Å; K712-F790 PolarHBondContact O-N 3.02Å; Y713-F790 WeakPolarHBondContact CA-O 3.25Å; Y713-F790 HydrophobicContact CD2-CB 4.31Å; Y713-F790 VanDerWaalsContact CD2-O 3.22Å; Y713-F790 WeakPolarHBondContact CD2-O 3.27Å; Y714-F790 PolarHBondContact N-O 2.9Å; V742-F790 HydrophobicContact CB-CD1 4.35Å; V742-F790 HydrophobicContact CB-CE1 4.35Å; V742-F790 HydrophobicContact CG1-CB 4.24Å; V742-F790 HydrophobicContact CG1-CD1 4.05Å; V742-F790 HydrophobicContact CG1-CD2 4.16Å; V742-F790 HydrophobicContact CG1-CG 3.88Å; V742-F790 HydrophobicContact CG2-CD1 4.21Å; V742-F790 HydrophobicContact CG2-CD2 4.18Å; V742-F790 HydrophobicContact CG2-CE1 3.83Å; V742-F790 HydrophobicContact CG2-CE2 3.85Å; V742-F790 HydrophobicContact CG2-CG 4.38Å; V742-F790 HydrophobicContact CG2-CZ 3.66Å; L754-F790 HydrophobicContact CB-CD1 4.41Å; L754-F790 HydrophobicContact CD1-CB 4.34Å; L754-F790 HydrophobicContact CD1-CD1 4.23Å; T755-F790 WeakPolarHBondContact O-CA 3.47Å; I756-F790 HydrophobicContact CD1-CD1 4.47Å; I756-F790 HydrophobicContact CD1-CE1 3.66Å; I756-F790 HydrophobicContact CD1-CZ 4.19Å; I756-F790 HydrophobicContact CG1-CD1 3.98Å; I756-F790 HydrophobicContact CG1-CE1 3.65Å; I756-F790 HydrophobicContact CG1-CZ 4.39Å; I756-F790 HydrophobicContact CG2-CE1 4.45Å; I756-F790 HydrophobicContact CG2-CZ 4.44Å; L788-F790 HydrophobicContact CB-CE2 3.88Å; L788-F790 HydrophobicContact CB-CZ 4.32Å
791	E	90.7	Very high	81.6	Confident	10 Å²	10	56.2 Å²	56.2	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.4	172.3	68	-179.4	-173.5	0	0	109.5	L754 T755 K764 T803 V804	L754-E791 WeakPolarHBondContact CA-O 3.49Å; T755-E791 PolarHBondContact N-O 2.87Å; T755-E791 PolarHBondContact O-N 2.76Å; T755-E791 VanDerWaalsContact O-N 3.08Å; T755-E791 WeakPolarHBondContact OG1-CG 3.43Å; T755-E791 PolarHBondContact OG1-O 2.72Å; T755-E791 PolarHBondContact OG1-OE1 3.27Å; K764-E791 IonicContact NZ-OE1 2.69Å; E791-T803 VanDerWaalsContact OE2-CA 3.31Å; E791-T803 WeakPolarHBondContact OE2-CA 3.46Å; E791-V804 HydrophobicContact CB-CG2 4.12Å; E791-V804 HydrophobicContact CG-CG2 4.49Å; E791-V804 WeakPolarHBondContact OE2-CG2 3.22Å; E791-V804 PolarHBondContact OE2-N 3.43Å
792	R	87.6	Confident	82.4	Confident	100 Å²	100	53.2 Å²	53.2	38%	0.377	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	145	175.5	-70.4	-179.1	175.2	-159.9	-4.3	110.4	Y713 F748 L754 V795	Y713-R792 HydrophobicContact CE2-CG 4.46Å; Y713-R792 PolarHBondContact OH-NE 3.11Å; F748-R792 HydrophobicContact CE2-CG 4.46Å; L754-R792 HydrophobicContact CD2-CG 3.87Å; R792-V795 HydrophobicContact CB-CG2 4.07Å; R792-V795 VanDerWaalsContact O-CG2 3.29Å; R792-V795 WeakPolarHBondContact O-CG2 3.37Å
793	E	79.8	Confident	83.1	Confident	105 Å²	105	51.8 Å²	51.8	49%	0.491	28%	0.275	S	S	.	.	S	Bend	trans	-73.9	-41.6	-179.5	-168.8	156.3	-173.2	0	0	112.8	E753 T755 V795	E753-E793 HydrophobicContact CB-CB 4.17Å; E753-E793 PolarHBondContact O-N 3.16Å; T755-E793 HydrophobicContact CG2-CB 3.89Å; T755-E793 HydrophobicContact CG2-CG 3.92Å; E793-V795 PolarHBondContact O-N 2.75Å
794	N	75.2	Confident	83.3	Confident	138 Å²	138	50.3 Å²	50.3	74%	0.738	27%	0.267	S	S	*	.	S	Bend	trans	-100.2	75.3	-175.3	-66.4	-53.6	0	0	0	111.8	E753	E753-N794 PolarHBondContact OE2-ND2 2.89Å
795	V	76.6	Confident	83.2	Confident	43 Å²	43	51.2 Å²	51.2	26%	0.261	28%	0.276	S	S	.	.			trans	-96.5	144.6	179.2	-177	0	0	0	0	111.1	P716 R792 E793 A797 L799 P802	P716-V795 HydrophobicContact CB-CG1 4.12Å; P716-V795 HydrophobicContact CG-CG1 3.84Å; P716-V795 HydrophobicContact CG-CG2 4.37Å; R792-V795 HydrophobicContact CB-CG2 4.07Å; R792-V795 VanDerWaalsContact O-CG2 3.29Å; R792-V795 WeakPolarHBondContact O-CG2 3.37Å; E793-V795 PolarHBondContact O-N 2.75Å; V795-A797 PolarHBondContact O-N 2.92Å; V795-L799 HydrophobicContact CG1-CD1 3.73Å; V795-P802 HydrophobicContact CG1-CB 4.33Å
796	D	75.6	Confident	83.2	Confident	92 Å²	92	53.8 Å²	53.8	49%	0.492	29%	0.29	S	S	.	.			trans	-62.5	118	175.8	-174.2	-6.1	0	0	0	110.7	K798 L799	D796-K798 PolarHBondContact O-N 3.03Å; D796-K798 WeakPolarHBondContact OD1-CB 3.31Å; D796-K798 WeakPolarHBondContact OD1-CG 3.41Å; D796-K798 PolarHBondContact OD1-N 2.95Å; D796-L799 HydrophobicContact CB-CD1 4.47Å; D796-L799 HydrophobicContact CB-CG 4.36Å; D796-L799 PolarHBondContact O-N 2.69Å; D796-L799 VanDerWaalsContact O-N 3.15Å
797	A	71.7	Confident	83.1	Confident	94 Å²	94	54.2 Å²	54.2	78%	0.777	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.4	179.6	0	0	0	0	0	114	V795	V795-A797 PolarHBondContact O-N 2.92Å
798	K	76.3	Confident	82.9	Confident	182 Å²	182	54 Å²	54	79%	0.791	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-8.1	174.7	-64.6	177.6	-179	175.8	0	114.2	D796	D796-K798 PolarHBondContact O-N 3.03Å; D796-K798 WeakPolarHBondContact OD1-CB 3.31Å; D796-K798 WeakPolarHBondContact OD1-CG 3.41Å; D796-K798 PolarHBondContact OD1-N 2.95Å
799	L	81.2	Confident	82.4	Confident	52 Å²	52	58.1 Å²	58.1	27%	0.272	31%	0.312	S	S	.	.	S	Bend	trans	-75.6	142	176.5	-64.6	174.6	0	0	0	110.5	P716 R717 V795 D796 L801 P802	P716-L799 HydrophobicContact CB-CD1 4.04Å; P716-L799 HydrophobicContact CG-CD1 4.28Å; R717-L799 HydrophobicContact CG-CD1 4.41Å; V795-L799 HydrophobicContact CG1-CD1 3.73Å; D796-L799 HydrophobicContact CB-CD1 4.47Å; D796-L799 HydrophobicContact CB-CG 4.36Å; D796-L799 PolarHBondContact O-N 2.69Å; D796-L799 VanDerWaalsContact O-N 3.15Å; L799-L801 VanDerWaalsContact C-N 3.33Å; L799-L801 PolarHBondContact O-N 3.25Å; L799-P802 WeakPolarHBondContact O-CD 3.5Å
800	D	77.6	Confident	81.8	Confident	124 Å²	124	60.3 Å²	60.3	66%	0.663	32%	0.324	S	S	*	.	S	Bend	trans	-60.8	-38.2	-175	-64.4	-28.9	0	0	0	113.7	K719	K719-D800 IonicContact NZ-OD2 3.03Å; K719-D800 PolarHBondContact NZ-OD2 3.46Å
801	L	84.6	Confident	81.1	Confident	22 Å²	22	62.5 Å²	62.5	12%	0.115	34%	0.335	C	S	.	.	S	Bend	trans	-129.4	77.1	-178.5	-60.8	174.3	0	0	0	108.7	Y714 K719 L799 T803 D806 Y807 D810	Y714-L801 WeakPolarHBondContact CE1-O 3.36Å; Y714-L801 VanDerWaalsContact OH-CB 3.26Å; Y714-L801 WeakPolarHBondContact OH-CB 3.21Å; Y714-L801 PolarHBondContact OH-O 3.26Å; K719-L801 HydrophobicContact CD-CD1 4.28Å; K719-L801 HydrophobicContact CG-CD1 4.41Å; L799-L801 VanDerWaalsContact C-N 3.33Å; L799-L801 PolarHBondContact O-N 3.25Å; L801-T803 VanDerWaalsContact C-N 3.31Å; L801-T803 PolarHBondContact O-N 3.4Å; L801-D806 HydrophobicContact CB-CB 4.46Å; L801-D806 HydrophobicContact CD2-CB 4.04Å; L801-Y807 HydrophobicContact CD1-CD2 4.07Å; L801-D810 HydrophobicContact CD1-CB 4.11Å; L801-D810 HydrophobicContact CD2-CB 4.01Å
802	P	83	Confident	80.3	Confident	32 Å²	32	64.8 Å²	64.8	21%	0.208	35%	0.349	C	S	.	.			trans	-71.4	-26.4	-170.2	27.5	-32.6	0	0	0	112.8	V795 L799 D806	V795-P802 HydrophobicContact CG1-CB 4.33Å; L799-P802 WeakPolarHBondContact O-CD 3.5Å; P802-D806 WeakPolarHBondContact CD-OD2 3.43Å; P802-D806 WeakPolarHBondContact CG-OD2 3.18Å
803	T	86.1	Confident	79.6	Confident	51 Å²	51	62.9 Å²	62.9	31%	0.313	34%	0.343	S	S	.	.	S	Bend	trans	-120.5	160.8	-178.6	73.5	0	0	0	0	113.3	E791 L801 G805 D806 Y807	E791-T803 VanDerWaalsContact OE2-CA 3.31Å; E791-T803 WeakPolarHBondContact OE2-CA 3.46Å; L801-T803 VanDerWaalsContact C-N 3.31Å; L801-T803 PolarHBondContact O-N 3.4Å; T803-G805 PolarHBondContact O-N 3.02Å; T803-G805 PolarHBondContact OG1-N 3.47Å; T803-D806 WeakPolarHBondContact CB-OD2 3.45Å; T803-D806 PolarHBondContact N-OD2 3.01Å; T803-D806 PolarHBondContact O-N 3.02Å; T803-D806 PolarHBondContact OG1-N 3.15Å; T803-D806 PolarHBondContact OG1-OD2 2.88Å; T803-Y807 PolarHBondContact O-N 2.89Å
804	V	84.9	Confident	79.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-38.9	170.2	173.8	0	0	0	0	111.1	Y714 Y757 I789 E791 D806 Y807 F808	Y714-V804 HydrophobicContact CD1-CG2 3.79Å; Y714-V804 HydrophobicContact CG-CG2 3.69Å; Y757-V804 HydrophobicContact CD1-CG1 3.91Å; Y757-V804 HydrophobicContact CD2-CB 4.42Å; Y757-V804 HydrophobicContact CD2-CG1 4.29Å; Y757-V804 HydrophobicContact CE1-CG1 4.23Å; Y757-V804 HydrophobicContact CG-CB 4.37Å; Y757-V804 HydrophobicContact CG-CG1 3.93Å; I789-V804 HydrophobicContact CB-CG1 4.49Å; I789-V804 HydrophobicContact CD1-CG1 4.06Å; I789-V804 HydrophobicContact CG2-CG1 4.11Å; I789-V804 HydrophobicContact CG2-CG2 3.58Å; E791-V804 HydrophobicContact CB-CG2 4.12Å; E791-V804 HydrophobicContact CG-CG2 4.49Å; E791-V804 WeakPolarHBondContact OE2-CG2 3.22Å; E791-V804 PolarHBondContact OE2-N 3.43Å; V804-D806 VanDerWaalsContact C-N 3.33Å; V804-D806 PolarHBondContact O-N 3.01Å; V804-Y807 WeakPolarHBondContact O-CB 3.19Å; V804-Y807 PolarHBondContact O-N 2.94Å; V804-F808 HydrophobicContact CG1-CD2 3.82Å; V804-F808 HydrophobicContact CG1-CE1 4.47Å; V804-F808 HydrophobicContact CG1-CE2 3.67Å; V804-F808 HydrophobicContact CG1-CG 4.28Å; V804-F808 HydrophobicContact CG1-CZ 4.03Å; V804-F808 VanDerWaalsContact O-CB 3.3Å; V804-F808 WeakPolarHBondContact O-CB 3.46Å; V804-F808 WeakPolarHBondContact O-CG 3.48Å; V804-F808 PolarHBondContact O-N 3.07Å
805	G	83.8	Confident	79.5	Confident	19 Å²	19	57 Å²	57	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-44.2	177.2	0	0	0	0	0	111.8	T803 F808 L809	T803-G805 PolarHBondContact O-N 3.02Å; T803-G805 PolarHBondContact OG1-N 3.47Å; G805-F808 PolarHBondContact O-N 2.6Å; G805-L809 WeakPolarHBondContact O-CG 3.5Å; G805-L809 PolarHBondContact O-N 2.88Å
806	D	83.1	Confident	79.6	Confident	56 Å²	56	60.5 Å²	60.5	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-42.9	176.7	-57.7	-47.9	0	0	0	111.4	L801 P802 T803 V804 F808 L809 D810	L801-D806 HydrophobicContact CB-CB 4.46Å; L801-D806 HydrophobicContact CD2-CB 4.04Å; P802-D806 WeakPolarHBondContact CD-OD2 3.43Å; P802-D806 WeakPolarHBondContact CG-OD2 3.18Å; T803-D806 WeakPolarHBondContact CB-OD2 3.45Å; T803-D806 PolarHBondContact N-OD2 3.01Å; T803-D806 PolarHBondContact O-N 3.02Å; T803-D806 PolarHBondContact OG1-N 3.15Å; T803-D806 PolarHBondContact OG1-OD2 2.88Å; V804-D806 VanDerWaalsContact C-N 3.33Å; V804-D806 PolarHBondContact O-N 3.01Å; D806-F808 VanDerWaalsContact C-N 3.32Å; D806-F808 PolarHBondContact O-N 3.16Å; D806-L809 PolarHBondContact O-N 2.89Å; D806-D810 WeakPolarHBondContact O-CB 3.45Å; D806-D810 PolarHBondContact O-N 2.67Å
807	Y	84.9	Confident	79.9	Confident	12 Å²	12	56.2 Å²	56.2	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-41.3	176	-178.5	-110.7	0	0	0	112.8	H606 Y714 K719 L721 L801 T803 V804 D810 L811	H606-Y807 PolarHBondContact O-OH 2.85Å; Y714-Y807 HydrophobicContact CD2-CD1 4.21Å; Y714-Y807 HydrophobicContact CD2-CG 4.15Å; Y714-Y807 AromaticContact CE2-CD1 3.95Å; Y714-Y807 HydrophobicContact CE2-CD1 3.95Å; Y714-Y807 AromaticContact CE2-CD2 3.65Å; Y714-Y807 HydrophobicContact CE2-CD2 3.65Å; Y714-Y807 HydrophobicContact CE2-CE2 4.31Å; Y714-Y807 AromaticContact CE2-CG 3.45Å; Y714-Y807 HydrophobicContact CE2-CG 3.45Å; Y714-Y807 VanDerWaalsContact CE2-CG 3.45Å; K719-Y807 WeakPolarHBondContact O-CE2 3.42Å; L721-Y807 HydrophobicContact CD1-CD1 4.3Å; L721-Y807 HydrophobicContact CD1-CE1 3.86Å; L721-Y807 HydrophobicContact CG-CD1 4.2Å; L721-Y807 HydrophobicContact CG-CE1 3.76Å; L801-Y807 HydrophobicContact CD1-CD2 4.07Å; T803-Y807 PolarHBondContact O-N 2.89Å; V804-Y807 WeakPolarHBondContact O-CB 3.19Å; V804-Y807 PolarHBondContact O-N 2.94Å; Y807-D810 PolarHBondContact O-N 3.1Å; Y807-L811 HydrophobicContact CD1-CD1 3.88Å; Y807-L811 HydrophobicContact CE1-CD1 3.34Å; Y807-L811 HydrophobicContact CE1-CG 4.17Å; Y807-L811 HydrophobicContact CE2-CD1 4.46Å; Y807-L811 HydrophobicContact CE2-CG 4.46Å; Y807-L811 PolarHBondContact O-N 3.37Å
808	F	83.5	Confident	80.6	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-72.2	-36.4	178.5	-84.2	-2.1	0	0	0	113.9	R608 L721 Y757 E759 I789 V804 G805 D806 L811 V812	R608-F808 HydrophobicContact CB-CE1 4.39Å; R608-F808 HydrophobicContact CB-CZ 4.38Å; R608-F808 HydrophobicContact CG-CD1 3.84Å; R608-F808 HydrophobicContact CG-CE1 3.39Å; R608-F808 HydrophobicContact CG-CE2 4.16Å; R608-F808 HydrophobicContact CG-CG 4.36Å; R608-F808 HydrophobicContact CG-CZ 3.57Å; L721-F808 HydrophobicContact CD1-CE1 3.63Å; L721-F808 HydrophobicContact CD1-CZ 4.05Å; Y757-F808 HydrophobicContact CD1-CE2 4.15Å; Y757-F808 AromaticContact CE1-CD2 3.78Å; Y757-F808 HydrophobicContact CE1-CD2 3.78Å; Y757-F808 AromaticContact CE1-CE2 3.67Å; Y757-F808 HydrophobicContact CE1-CE2 3.67Å; E759-F808 HydrophobicContact CG-CE2 4.49Å; I789-F808 HydrophobicContact CD1-CE1 4.37Å; I789-F808 HydrophobicContact CD1-CE2 3.57Å; I789-F808 HydrophobicContact CD1-CZ 3.24Å; V804-F808 HydrophobicContact CG1-CD2 3.82Å; V804-F808 HydrophobicContact CG1-CE1 4.47Å; V804-F808 HydrophobicContact CG1-CE2 3.67Å; V804-F808 HydrophobicContact CG1-CG 4.28Å; V804-F808 HydrophobicContact CG1-CZ 4.03Å; V804-F808 VanDerWaalsContact O-CB 3.3Å; V804-F808 WeakPolarHBondContact O-CB 3.46Å; V804-F808 WeakPolarHBondContact O-CG 3.48Å; V804-F808 PolarHBondContact O-N 3.07Å; G805-F808 PolarHBondContact O-N 2.6Å; D806-F808 VanDerWaalsContact C-N 3.32Å; D806-F808 PolarHBondContact O-N 3.16Å; F808-L811 HydrophobicContact CD1-CD1 4.19Å; F808-V812 VanDerWaalsContact O-CG2 3.26Å; F808-V812 WeakPolarHBondContact O-CG2 3.22Å; F808-V812 PolarHBondContact O-N 3.33Å; F808-V812 VanDerWaalsContact O-N 3.13Å
809	L	80.3	Confident	81.2	Confident	88 Å²	88	44.7 Å²	44.7	46%	0.461	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-45.2	169.3	-75.4	165.7	0	0	0	110.4	G805 D806 L811 V812 Y813	G805-L809 WeakPolarHBondContact O-CG 3.5Å; G805-L809 PolarHBondContact O-N 2.88Å; D806-L809 PolarHBondContact O-N 2.89Å; L809-L811 PolarHBondContact O-N 3.12Å; L809-V812 PolarHBondContact O-N 3.34Å; L809-Y813 HydrophobicContact CB-CE2 4.29Å; L809-Y813 HydrophobicContact CD2-CE2 4.08Å; L809-Y813 WeakPolarHBondContact O-CD2 3.46Å; L809-Y813 PolarHBondContact O-N 3.36Å; L809-Y813 VanDerWaalsContact O-N 3.14Å
810	D	79.3	Confident	81.4	Confident	46 Å²	46	42.4 Å²	42.4	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-49.3	176.9	-173.3	69.5	0	0	0	111.8	L801 D806 Y807 V812 Y813 R814	L801-D810 HydrophobicContact CD1-CB 4.11Å; L801-D810 HydrophobicContact CD2-CB 4.01Å; D806-D810 WeakPolarHBondContact O-CB 3.45Å; D806-D810 PolarHBondContact O-N 2.67Å; Y807-D810 PolarHBondContact O-N 3.1Å; D810-V812 VanDerWaalsContact C-N 3.31Å; D810-V812 PolarHBondContact O-N 3.46Å; D810-Y813 CarbonylContact O-C 3.5Å; D810-Y813 PolarHBondContact O-N 3.34Å; D810-Y813 VanDerWaalsContact O-N 3.12Å; D810-R814 WeakPolarHBondContact O-CB 3.48Å; D810-R814 PolarHBondContact O-N 3.05Å; D810-R814 IonicContact OD2-CZ 2.78Å; D810-R814 IonicContact OD2-NE 2.85Å; D810-R814 PolarHBondContact OD2-NE 3.07Å; D810-R814 IonicContact OD2-NH2 2.98Å; D810-R814 PolarHBondContact OD2-NH2 3.03Å
811	L	77.2	Confident	81.8	Confident	45 Å²	45	37.5 Å²	37.5	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-35	177	-81.2	174.9	0	0	0	114.1	Y807 F808 L809 Y813	Y807-L811 HydrophobicContact CD1-CD1 3.88Å; Y807-L811 HydrophobicContact CE1-CD1 3.34Å; Y807-L811 HydrophobicContact CE1-CG 4.17Å; Y807-L811 HydrophobicContact CE2-CD1 4.46Å; Y807-L811 HydrophobicContact CE2-CG 4.46Å; Y807-L811 PolarHBondContact O-N 3.37Å; F808-L811 HydrophobicContact CD1-CD1 4.19Å; L809-L811 PolarHBondContact O-N 3.12Å; L811-Y813 VanDerWaalsContact C-N 3.33Å
812	V	73.9	Confident	81.7	Confident	58 Å²	58	40.7 Å²	40.7	35%	0.352	21%	0.206	S	C	.	.	H	α-helix	trans	-69.8	-35.4	177.7	166.6	0	0	0	0	111.1	F808 L809 D810	F808-V812 VanDerWaalsContact O-CG2 3.26Å; F808-V812 WeakPolarHBondContact O-CG2 3.22Å; F808-V812 PolarHBondContact O-N 3.33Å; F808-V812 VanDerWaalsContact O-N 3.13Å; L809-V812 PolarHBondContact O-N 3.34Å; D810-V812 VanDerWaalsContact C-N 3.31Å; D810-V812 PolarHBondContact O-N 3.46Å
813	Y	72.8	Confident	81.4	Confident	61 Å²	61	43.7 Å²	43.7	24%	0.239	23%	0.227	C	C	.	.	H	α-helix	trans	-86.9	-26.4	180	-61.9	-53.2	0	0	0	112.8	L809 D810 L811 I815 S835 N836 R837	L809-Y813 HydrophobicContact CB-CE2 4.29Å; L809-Y813 HydrophobicContact CD2-CE2 4.08Å; L809-Y813 WeakPolarHBondContact O-CD2 3.46Å; L809-Y813 PolarHBondContact O-N 3.36Å; L809-Y813 VanDerWaalsContact O-N 3.14Å; D810-Y813 CarbonylContact O-C 3.5Å; D810-Y813 PolarHBondContact O-N 3.34Å; D810-Y813 VanDerWaalsContact O-N 3.12Å; L811-Y813 VanDerWaalsContact C-N 3.33Å; Y813-I815 PolarHBondContact O-N 3.43Å; Y813-S835 WeakPolarHBondContact CB-OG 3.28Å; Y813-S835 CarbonylContact O-C 3.56Å; Y813-S835 VanDerWaalsContact O-CA 3.28Å; Y813-S835 WeakPolarHBondContact O-CA 3.29Å; Y813-N836 WeakPolarHBondContact O-CB 3.46Å; Y813-N836 PolarHBondContact O-N 3.04Å; Y813-R837 HydrophobicContact CD1-CG 3.45Å; Y813-R837 VanDerWaalsContact CD1-CG 3.45Å; Y813-R837 HydrophobicContact CD2-CG 4.31Å; Y813-R837 HydrophobicContact CE1-CG 3.59Å; Y813-R837 HydrophobicContact CE2-CG 4.44Å; Y813-R837 VanDerWaalsContact CE2-CZ 3.48Å; Y813-R837 HydrophobicContact CG-CG 3.85Å
814	R	76.8	Confident	80.9	Confident	100 Å²	100	44.3 Å²	44.3	38%	0.377	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.6	179.3	-177.4	-177.7	-81.5	-125	11.7	111	D810 E833 L834	D810-R814 WeakPolarHBondContact O-CB 3.48Å; D810-R814 PolarHBondContact O-N 3.05Å; D810-R814 IonicContact OD2-CZ 2.78Å; D810-R814 IonicContact OD2-NE 2.85Å; D810-R814 PolarHBondContact OD2-NE 3.07Å; D810-R814 IonicContact OD2-NH2 2.98Å; D810-R814 PolarHBondContact OD2-NH2 3.03Å; R814-E833 WeakPolarHBondContact CD-OE1 3.44Å; R814-E833 HydrophobicContact CG-CG 3.75Å; R814-E833 WeakPolarHBondContact CG-OE1 3.35Å; R814-E833 IonicContact CZ-OE1 2.78Å; R814-E833 IonicContact NE-OE1 2.67Å; R814-E833 PolarHBondContact NE-OE1 2.76Å; R814-E833 IonicContact NH1-OE1 3.59Å; R814-E833 PolarHBondContact NH1-OE1 3.19Å; R814-E833 IonicContact NH1-OE2 3.11Å; R814-L834 CarbonylContact C-O 3.55Å; R814-L834 WeakPolarHBondContact CA-O 3.44Å
815	I	75.8	Confident	80.2	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.097	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.5	-176.4	50.7	168.6	0	0	0	109.5	Y813 I817 L834 N836 V883	Y813-I815 PolarHBondContact O-N 3.43Å; I815-I817 HydrophobicContact CD1-CD1 3.6Å; I815-I817 HydrophobicContact CD1-CG1 3.99Å; I815-I817 HydrophobicContact CG1-CD1 4.24Å; I815-I817 HydrophobicContact CG1-CG1 4.22Å; I815-L834 WeakPolarHBondContact CG1-O 3.39Å; I815-L834 PolarHBondContact N-O 3.14Å; I815-L834 PolarHBondContact O-N 2.65Å; I815-N836 HydrophobicContact CD1-CB 4.07Å; I815-N836 HydrophobicContact CG1-CB 4.44Å; I815-N836 HydrophobicContact CG2-CB 4.12Å; I815-V883 HydrophobicContact CD1-CB 3.91Å; I815-V883 HydrophobicContact CD1-CG1 3.35Å; I815-V883 HydrophobicContact CD1-CG2 3.88Å
816	E	78.7	Confident	79.6	Confident	117 Å²	117	56 Å²	56	55%	0.547	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.1	172.7	-169	173.2	-164.1	0	0	109.1	T831 K892	E816-T831 HydrophobicContact CG-CG2 3.22Å; E816-T831 VanDerWaalsContact OE1-CG2 3.3Å; E816-T831 WeakPolarHBondContact OE1-CG2 3.37Å; E816-K892 PolarHBondContact O-N 2.96Å
817	I	82.4	Confident	79.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.3	-178	-49	-178.3	0	0	0	109.7	I815 F819 T831 L832 L834 V883 K892 I894	I815-I817 HydrophobicContact CD1-CD1 3.6Å; I815-I817 HydrophobicContact CD1-CG1 3.99Å; I815-I817 HydrophobicContact CG1-CD1 4.24Å; I815-I817 HydrophobicContact CG1-CG1 4.22Å; I817-F819 HydrophobicContact CB-CD2 4.46Å; I817-F819 HydrophobicContact CB-CE2 3.74Å; I817-F819 HydrophobicContact CB-CZ 4.08Å; I817-F819 HydrophobicContact CD1-CZ 4.4Å; I817-F819 HydrophobicContact CG2-CD2 4.2Å; I817-F819 HydrophobicContact CG2-CE1 4.24Å; I817-F819 HydrophobicContact CG2-CE2 3.68Å; I817-F819 HydrophobicContact CG2-CZ 3.7Å; I817-T831 WeakPolarHBondContact O-CA 3.34Å; I817-L832 PolarHBondContact N-O 3.14Å; I817-L832 PolarHBondContact O-N 2.87Å; I817-L834 HydrophobicContact CD1-CB 4.47Å; I817-L834 HydrophobicContact CD1-CD1 4.1Å; I817-V883 HydrophobicContact CD1-CG2 4.33Å; I817-K892 CarbonylContact C-O 3.58Å; I817-K892 WeakPolarHBondContact CA-O 3.48Å; I817-K892 HydrophobicContact CG1-CB 4.42Å; I817-K892 HydrophobicContact CG2-CB 4.49Å; I817-I894 HydrophobicContact CD1-CD1 4.1Å; I817-I894 HydrophobicContact CG2-CB 4.07Å; I817-I894 HydrophobicContact CG2-CD1 3.79Å; I817-I894 HydrophobicContact CG2-CG1 3.71Å
818	I	86.8	Confident	79.2	Confident	35 Å²	35	60.6 Å²	60.6	18%	0.179	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.2	168.7	-60.1	168.1	0	0	0	108.5	D829 T831 T891 K892 R893 I894	I818-D829 HydrophobicContact CG2-CB 3.89Å; I818-T831 HydrophobicContact CG1-CG2 4.37Å; I818-T891 HydrophobicContact CD1-CG2 3.48Å; I818-T891 VanDerWaalsContact CD1-CG2 3.48Å; I818-T891 HydrophobicContact CG1-CG2 3.75Å; I818-K892 PolarHBondContact N-O 3.24Å; I818-R893 HydrophobicContact CB-CG 4.46Å; I818-R893 HydrophobicContact CG2-CG 4.39Å; I818-R893 CarbonylContact O-C 3.51Å; I818-R893 WeakPolarHBondContact O-CA 3.3Å; I818-I894 PolarHBondContact O-N 3.23Å
819	F	87.8	Confident	79.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.9	175.5	-69.5	-87.3	0	0	0	110.8	I817 F830 L832 L834 L843 V847 F860 I894 Y896	I817-F819 HydrophobicContact CB-CD2 4.46Å; I817-F819 HydrophobicContact CB-CE2 3.74Å; I817-F819 HydrophobicContact CB-CZ 4.08Å; I817-F819 HydrophobicContact CD1-CZ 4.4Å; I817-F819 HydrophobicContact CG2-CD2 4.2Å; I817-F819 HydrophobicContact CG2-CE1 4.24Å; I817-F819 HydrophobicContact CG2-CE2 3.68Å; I817-F819 HydrophobicContact CG2-CZ 3.7Å; F819-F830 HydrophobicContact CB-CD1 4.25Å; F819-F830 HydrophobicContact CB-CD2 4.26Å; F819-F830 HydrophobicContact CB-CE1 3.71Å; F819-F830 HydrophobicContact CB-CE2 3.72Å; F819-F830 HydrophobicContact CB-CZ 3.42Å; F819-F830 VanDerWaalsContact CB-CZ 3.42Å; F819-F830 HydrophobicContact CD2-CD2 4.4Å; F819-F830 AromaticContact CD2-CE2 3.84Å; F819-F830 HydrophobicContact CD2-CE2 3.84Å; F819-F830 HydrophobicContact CD2-CZ 4.32Å; F819-F830 AromaticContact CG-CE2 3.98Å; F819-F830 HydrophobicContact CG-CE2 3.98Å; F819-F830 AromaticContact CG-CZ 3.98Å; F819-F830 HydrophobicContact CG-CZ 3.98Å; F819-F830 PolarHBondContact N-O 3.23Å; F819-F830 PolarHBondContact O-N 3.33Å; F819-L832 HydrophobicContact CD2-CB 4.44Å; F819-L832 HydrophobicContact CD2-CD1 4.33Å; F819-L832 HydrophobicContact CD2-CG 4.41Å; F819-L832 HydrophobicContact CE2-CB 4.05Å; F819-L832 HydrophobicContact CE2-CD1 4.13Å; F819-L832 HydrophobicContact CE2-CG 4.37Å; F819-L834 HydrophobicContact CE2-CD1 3.83Å; F819-L834 HydrophobicContact CZ-CD1 3.76Å; F819-L843 HydrophobicContact CE1-CD1 4.31Å; F819-L843 HydrophobicContact CZ-CD1 3.81Å; F819-V847 HydrophobicContact CD1-CG2 4.06Å; F819-V847 HydrophobicContact CD2-CG2 4.43Å; F819-V847 HydrophobicContact CE1-CG2 3.55Å; F819-V847 HydrophobicContact CE2-CG2 3.97Å; F819-V847 HydrophobicContact CG-CG2 4.47Å; F819-V847 HydrophobicContact CZ-CG2 3.5Å; F819-F860 HydrophobicContact CD1-CE1 4.25Å; F819-F860 HydrophobicContact CE1-CD1 4.26Å; F819-F860 AromaticContact CE1-CE1 3.96Å; F819-F860 HydrophobicContact CE1-CE1 3.96Å; F819-I894 VanDerWaalsContact CA-O 3.3Å; F819-I894 WeakPolarHBondContact CA-O 3.16Å; F819-I894 HydrophobicContact CD1-CB 4.14Å; F819-I894 HydrophobicContact CD1-CG2 4.25Å; F819-I894 HydrophobicContact CE1-CB 4.02Å; F819-I894 HydrophobicContact CE1-CD1 4.48Å; F819-I894 HydrophobicContact CE1-CG2 4.06Å; F819-Y896 HydrophobicContact CB-CD1 4.06Å; F819-Y896 HydrophobicContact CB-CE1 4.23Å
820	S	86.9	Confident	79.8	Confident	4 Å²	4	61 Å²	61	3%	0.028	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.1	-179.4	-60.2	0	0	0	0	111.1	K822 D829 R893 I894 F895 Y896	S820-K822 PolarHBondContact O-N 3.42Å; S820-D829 WeakPolarHBondContact CA-OD1 3.43Å; S820-D829 WeakPolarHBondContact CB-OD1 3.42Å; S820-D829 PolarHBondContact OG-OD1 3.48Å; S820-D829 PolarHBondContact OG-OD2 3.07Å; S820-R893 PolarHBondContact OG-NH1 3.33Å; S820-I894 PolarHBondContact N-O 2.96Å; S820-F895 CarbonylContact O-C 3.58Å; S820-F895 VanDerWaalsContact O-CA 3.23Å; S820-F895 WeakPolarHBondContact O-CA 3.37Å; S820-Y896 WeakPolarHBondContact O-CD1 3.4Å; S820-Y896 PolarHBondContact O-N 3.3Å
821	D	86.3	Confident	80.2	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.112	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.5	175.4	-164.3	-59.5	0	0	0	110.5	C823 N824 E827 Y896	D821-C823 WeakPolarHBondContact OD1-CA 3.43Å; D821-C823 PolarHBondContact OD1-N 3.45Å; D821-N824 HydrophobicContact CB-CB 4.46Å; D821-N824 PolarHBondContact OD1-N 3.24Å; D821-E827 HydrophobicContact CB-CB 4.31Å; D821-Y896 HydrophobicContact CB-CE1 4.31Å; D821-Y896 HydrophobicContact CB-CE2 4.38Å; D821-Y896 WeakPolarHBondContact OD2-CE2 3.45Å
822	K	82.2	Confident	80.6	Confident	89 Å²	89	61.5 Å²	61.5	39%	0.387	33%	0.33	S	S	.	.	S	Bend	trans	-72.3	-34.2	-179.9	-179.6	-180	177.4	-178.8	0	113.1	S820 F861 A871 Y896	S820-K822 PolarHBondContact O-N 3.42Å; K822-F861 HydrophobicContact CD-CD1 4.41Å; K822-F861 HydrophobicContact CD-CD2 3.81Å; K822-F861 HydrophobicContact CD-CE1 4.26Å; K822-F861 HydrophobicContact CD-CE2 3.62Å; K822-F861 HydrophobicContact CD-CG 4.22Å; K822-F861 HydrophobicContact CD-CZ 3.88Å; K822-A871 HydrophobicContact CD-CB 3.96Å; K822-A871 HydrophobicContact CG-CB 3.94Å; K822-Y896 WeakPolarHBondContact CB-O 3.15Å; K822-Y896 PolarHBondContact N-O 3.46Å
823	C	76.2	Confident	80.9	Confident	94 Å²	94	64.5 Å²	64.5	64%	0.635	34%	0.34	S	S	*	.	S	Bend	trans	-93.5	-23.1	-170.8	-67.3	0	0	0	0	112.2	D821	D821-C823 WeakPolarHBondContact OD1-CA 3.43Å; D821-C823 PolarHBondContact OD1-N 3.45Å
824	N	76.2	Confident	81.4	Confident	64 Å²	64	62.2 Å²	62.2	34%	0.342	33%	0.332	S	S	.	.			trans	-125.6	94.7	-178.1	-172.1	9.7	0	0	0	112	D821 N826 E827	D821-N824 HydrophobicContact CB-CB 4.46Å; D821-N824 PolarHBondContact OD1-N 3.24Å; N824-N826 PolarHBondContact O-N 3.08Å; N824-N826 VanDerWaalsContact O-N 3.08Å; N824-N826 PolarHBondContact OD1-N 2.97Å; N824-E827 HydrophobicContact CB-CB 4.38Å; N824-E827 PolarHBondContact O-N 3.36Å
825	P	69.1	Low	81.4	Confident	117 Å²	117	58.5 Å²	58.5	76%	0.76	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.9	179.1	-18.8	30.8	0	0	0	114.6
826	N	72.3	Confident	81.2	Confident	148 Å²	148	59.8 Å²	59.8	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6	-177.7	-61.9	-26	0	0	0	113.1	N824	N824-N826 PolarHBondContact O-N 3.08Å; N824-N826 VanDerWaalsContact O-N 3.08Å; N824-N826 PolarHBondContact OD1-N 2.97Å
827	E	79.2	Confident	80.8	Confident	54 Å²	54	62 Å²	62	25%	0.252	33%	0.331	S	S	.	.	S	Bend	trans	-80.7	128.5	176.1	-162.6	161.5	165.7	0	0	109.1	D821 N824 R898	D821-E827 HydrophobicContact CB-CB 4.31Å; N824-E827 HydrophobicContact CB-CB 4.38Å; N824-E827 PolarHBondContact O-N 3.36Å; E827-R898 IonicContact OE1-CZ 3.62Å; E827-R898 IonicContact OE1-NH2 2.67Å; E827-R898 PolarHBondContact OE1-NH2 3.11Å
828	P	79.6	Confident	80.6	Confident	111 Å²	111	66 Å²	66	72%	0.721	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-66.9	138.1	-176.5	26.7	-33.9	0	0	0	111.1
829	D	87.9	Confident	80.1	Confident	81 Å²	81	67.5 Å²	67.5	43%	0.433	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-58.7	147.2	171.9	-68.8	-25.2	0	0	0	110.8	I818 S820 R893	I818-D829 HydrophobicContact CG2-CB 3.89Å; S820-D829 WeakPolarHBondContact CA-OD1 3.43Å; S820-D829 WeakPolarHBondContact CB-OD1 3.42Å; S820-D829 PolarHBondContact OG-OD1 3.48Å; S820-D829 PolarHBondContact OG-OD2 3.07Å; D829-R893 IonicContact OD1-NH1 3.07Å; D829-R893 IonicContact OD2-CZ 2.72Å; D829-R893 IonicContact OD2-NH1 3.56Å; D829-R893 PolarHBondContact OD2-NH1 2.97Å; D829-R893 IonicContact OD2-NH2 2.96Å
830	F	88.6	Confident	79.8	Confident	17 Å²	17	67.7 Å²	67.7	8%	0.075	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.3	171.3	66.8	-86.3	0	0	0	111.1	F819 L832 V847 R850 L851 Y896	F819-F830 HydrophobicContact CB-CD1 4.25Å; F819-F830 HydrophobicContact CB-CD2 4.26Å; F819-F830 HydrophobicContact CB-CE1 3.71Å; F819-F830 HydrophobicContact CB-CE2 3.72Å; F819-F830 HydrophobicContact CB-CZ 3.42Å; F819-F830 VanDerWaalsContact CB-CZ 3.42Å; F819-F830 HydrophobicContact CD2-CD2 4.4Å; F819-F830 AromaticContact CD2-CE2 3.84Å; F819-F830 HydrophobicContact CD2-CE2 3.84Å; F819-F830 HydrophobicContact CD2-CZ 4.32Å; F819-F830 AromaticContact CG-CE2 3.98Å; F819-F830 HydrophobicContact CG-CE2 3.98Å; F819-F830 AromaticContact CG-CZ 3.98Å; F819-F830 HydrophobicContact CG-CZ 3.98Å; F819-F830 PolarHBondContact N-O 3.23Å; F819-F830 PolarHBondContact O-N 3.33Å; F830-L832 HydrophobicContact CD2-CD1 4.36Å; F830-L832 HydrophobicContact CD2-CG 3.99Å; F830-L832 HydrophobicContact CE2-CD1 3.8Å; F830-L832 HydrophobicContact CE2-CG 3.94Å; F830-V847 HydrophobicContact CZ-CG1 4.09Å; F830-R850 HydrophobicContact CD2-CG 3.76Å; F830-R850 HydrophobicContact CE2-CB 4.3Å; F830-R850 HydrophobicContact CE2-CG 3.76Å; F830-R850 HydrophobicContact CG-CG 4.44Å; F830-R850 HydrophobicContact CZ-CG 4.44Å; F830-L851 HydrophobicContact CD1-CD2 4.44Å; F830-L851 HydrophobicContact CE1-CD1 4.48Å; F830-L851 HydrophobicContact CE1-CD2 3.6Å; F830-L851 HydrophobicContact CE1-CG 4.2Å; F830-L851 HydrophobicContact CZ-CD1 4.24Å; F830-L851 HydrophobicContact CZ-CD2 3.89Å; F830-L851 HydrophobicContact CZ-CG 3.98Å; F830-Y896 AromaticContact CE1-CE1 3.65Å; F830-Y896 HydrophobicContact CE1-CE1 3.65Å; F830-Y896 HydrophobicContact CZ-CE1 4.18Å
831	T	87.3	Confident	79.5	Confident	68 Å²	68	70.7 Å²	70.7	42%	0.417	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.4	-177.2	-50.6	0	0	0	0	110.3	E816 I817 I818	E816-T831 HydrophobicContact CG-CG2 3.22Å; E816-T831 VanDerWaalsContact OE1-CG2 3.3Å; E816-T831 WeakPolarHBondContact OE1-CG2 3.37Å; I817-T831 WeakPolarHBondContact O-CA 3.34Å; I818-T831 HydrophobicContact CG1-CG2 4.37Å
832	L	85.1	Confident	79.4	Confident	33 Å²	33	73.8 Å²	73.8	17%	0.173	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.9	171.4	-65.5	176.4	0	0	0	110.5	I817 F819 F830 L834 V847 R850	I817-L832 PolarHBondContact N-O 3.14Å; I817-L832 PolarHBondContact O-N 2.87Å; F819-L832 HydrophobicContact CD2-CB 4.44Å; F819-L832 HydrophobicContact CD2-CD1 4.33Å; F819-L832 HydrophobicContact CD2-CG 4.41Å; F819-L832 HydrophobicContact CE2-CB 4.05Å; F819-L832 HydrophobicContact CE2-CD1 4.13Å; F819-L832 HydrophobicContact CE2-CG 4.37Å; F830-L832 HydrophobicContact CD2-CD1 4.36Å; F830-L832 HydrophobicContact CD2-CG 3.99Å; F830-L832 HydrophobicContact CE2-CD1 3.8Å; F830-L832 HydrophobicContact CE2-CG 3.94Å; L832-L834 HydrophobicContact CB-CD1 4.12Å; L832-L834 HydrophobicContact CB-CD2 4.16Å; L832-L834 HydrophobicContact CB-CG 3.91Å; L832-V847 HydrophobicContact CD1-CG2 4.07Å; L832-R850 HydrophobicContact CD1-CB 4.27Å; L832-R850 HydrophobicContact CD2-CB 4.4Å; L832-R850 HydrophobicContact CD2-CG 4.19Å
833	E	81.7	Confident	79.5	Confident	120 Å²	120	69.8 Å²	69.8	56%	0.561	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.4	170.7	-169.7	177.4	-172.1	0	0	108.8	R814	R814-E833 WeakPolarHBondContact CD-OE1 3.44Å; R814-E833 HydrophobicContact CG-CG 3.75Å; R814-E833 WeakPolarHBondContact CG-OE1 3.35Å; R814-E833 IonicContact CZ-OE1 2.78Å; R814-E833 IonicContact NE-OE1 2.67Å; R814-E833 PolarHBondContact NE-OE1 2.76Å; R814-E833 IonicContact NH1-OE1 3.59Å; R814-E833 PolarHBondContact NH1-OE1 3.19Å; R814-E833 IonicContact NH1-OE2 3.11Å
834	L	81.8	Confident	80	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.068	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	173.1	-171.1	-59.8	175.8	0	0	0	110.8	R814 I815 I817 F819 L832 Y838 L843 A846	R814-L834 CarbonylContact C-O 3.55Å; R814-L834 WeakPolarHBondContact CA-O 3.44Å; I815-L834 WeakPolarHBondContact CG1-O 3.39Å; I815-L834 PolarHBondContact N-O 3.14Å; I815-L834 PolarHBondContact O-N 2.65Å; I817-L834 HydrophobicContact CD1-CB 4.47Å; I817-L834 HydrophobicContact CD1-CD1 4.1Å; F819-L834 HydrophobicContact CE2-CD1 3.83Å; F819-L834 HydrophobicContact CZ-CD1 3.76Å; L832-L834 HydrophobicContact CB-CD1 4.12Å; L832-L834 HydrophobicContact CB-CD2 4.16Å; L832-L834 HydrophobicContact CB-CG 3.91Å; L834-Y838 HydrophobicContact CB-CD2 4.26Å; L834-Y838 HydrophobicContact CB-CE2 4.29Å; L834-Y838 HydrophobicContact CD2-CD2 4.28Å; L834-Y838 HydrophobicContact CD2-CE2 3.81Å; L834-L843 HydrophobicContact CD1-CD1 3.45Å; L834-L843 VanDerWaalsContact CD1-CD1 3.45Å; L834-A846 HydrophobicContact CD2-CB 3.67Å
835	S	78.6	Confident	80.5	Confident	22 Å²	22	66.5 Å²	66.5	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.7	175.5	-166.6	0	0	0	0	111.4	Y813 R837 Y838	Y813-S835 WeakPolarHBondContact CB-OG 3.28Å; Y813-S835 CarbonylContact O-C 3.56Å; Y813-S835 VanDerWaalsContact O-CA 3.28Å; Y813-S835 WeakPolarHBondContact O-CA 3.29Å; S835-R837 PolarHBondContact O-N 2.76Å; S835-R837 VanDerWaalsContact O-N 3.15Å; S835-R837 PolarHBondContact OG-N 2.95Å; S835-Y838 VanDerWaalsContact CB-CE1 3.4Å; S835-Y838 VanDerWaalsContact O-CB 3.28Å; S835-Y838 WeakPolarHBondContact O-CB 3.36Å; S835-Y838 PolarHBondContact O-N 2.97Å
836	N	70.6	Confident	81.4	Confident	46 Å²	46	62 Å²	62	25%	0.246	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.6	171.3	-169.9	19.6	0	0	0	112.2	Y813 I815 V883	Y813-N836 WeakPolarHBondContact O-CB 3.46Å; Y813-N836 PolarHBondContact O-N 3.04Å; I815-N836 HydrophobicContact CD1-CB 4.07Å; I815-N836 HydrophobicContact CG1-CB 4.44Å; I815-N836 HydrophobicContact CG2-CB 4.12Å; N836-V883 VanDerWaalsContact OD1-C 3.3Å; N836-V883 WeakPolarHBondContact OD1-CB 3.5Å; N836-V883 PolarHBondContact OD1-O 3.25Å
837	R	71.4	Confident	82.1	Confident	163 Å²	163	55 Å²	55	62%	0.615	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.9	171.2	-63.1	-168.3	-67	-173.3	-0.7	113.5	Y813 S835 N839	Y813-R837 HydrophobicContact CD1-CG 3.45Å; Y813-R837 VanDerWaalsContact CD1-CG 3.45Å; Y813-R837 HydrophobicContact CD2-CG 4.31Å; Y813-R837 HydrophobicContact CE1-CG 3.59Å; Y813-R837 HydrophobicContact CE2-CG 4.44Å; Y813-R837 VanDerWaalsContact CE2-CZ 3.48Å; Y813-R837 HydrophobicContact CG-CG 3.85Å; S835-R837 PolarHBondContact O-N 2.76Å; S835-R837 VanDerWaalsContact O-N 3.15Å; S835-R837 PolarHBondContact OG-N 2.95Å; R837-N839 PolarHBondContact O-N 3.47Å
838	Y	76.3	Confident	82.5	Confident	85 Å²	85	52.6 Å²	52.6	33%	0.333	27%	0.269	S	S	.	.			trans	-62.8	126.2	179.4	-80	10.6	0	0	0	109.8	L834 S835 Q842 A846	L834-Y838 HydrophobicContact CB-CD2 4.26Å; L834-Y838 HydrophobicContact CB-CE2 4.29Å; L834-Y838 HydrophobicContact CD2-CD2 4.28Å; L834-Y838 HydrophobicContact CD2-CE2 3.81Å; S835-Y838 VanDerWaalsContact CB-CE1 3.4Å; S835-Y838 VanDerWaalsContact O-CB 3.28Å; S835-Y838 WeakPolarHBondContact O-CB 3.36Å; S835-Y838 PolarHBondContact O-N 2.97Å; Y838-Q842 HydrophobicContact CD1-CB 4.14Å; Y838-Q842 HydrophobicContact CD2-CB 3.99Å; Y838-Q842 HydrophobicContact CG-CB 3.78Å; Y838-A846 HydrophobicContact CE2-CB 4.45Å
839	N	77.6	Confident	83	Confident	67 Å²	67	54.9 Å²	54.9	36%	0.358	27%	0.271	S	S	.	.			trans	-73.6	173	164.8	65.9	25.3	0	0	0	109.8	R837 D841 Q842 L843	R837-N839 PolarHBondContact O-N 3.47Å; N839-D841 VanDerWaalsContact C-N 3.25Å; N839-D841 PolarHBondContact O-N 2.87Å; N839-D841 PolarHBondContact OD1-N 2.94Å; N839-Q842 VanDerWaalsContact N-OE1 3.12Å; N839-Q842 PolarHBondContact O-N 3.35Å; N839-Q842 WeakPolarHBondContact OD1-CB 3.38Å; N839-Q842 VanDerWaalsContact OD1-CG 3.24Å; N839-Q842 WeakPolarHBondContact OD1-CG 3.5Å; N839-Q842 PolarHBondContact OD1-N 2.96Å; N839-Q842 PolarHBondContact OD1-OE1 2.97Å; N839-L843 WeakPolarHBondContact O-CB 3.18Å; N839-L843 PolarHBondContact O-N 3.21Å
840	Y	81	Confident	83	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-53.7	-42.3	-179	-167.9	-79.3	0	0	0	112.6	L843 A844 L858 Q859 F860 V875 Y877 L882 I903	Y840-L843 PolarHBondContact O-N 2.9Å; Y840-A844 HydrophobicContact CD1-CB 4.37Å; Y840-A844 HydrophobicContact CE1-CB 4.23Å; Y840-A844 VanDerWaalsContact O-CB 3.22Å; Y840-A844 WeakPolarHBondContact O-CB 3.43Å; Y840-A844 PolarHBondContact O-N 2.77Å; Y840-L858 PolarHBondContact OH-O 3.2Å; Y840-Q859 WeakPolarHBondContact OH-CA 3.41Å; Y840-F860 HydrophobicContact CD2-CD2 4.47Å; Y840-F860 HydrophobicContact CE1-CD2 4.32Å; Y840-F860 HydrophobicContact CE1-CE2 4.33Å; Y840-F860 AromaticContact CE2-CD2 3.68Å; Y840-F860 HydrophobicContact CE2-CD2 3.68Å; Y840-F860 HydrophobicContact CE2-CE2 4.44Å; Y840-F860 AromaticContact CZ-CD2 3.55Å; Y840-F860 AromaticContact CZ-CE2 4Å; Y840-F860 WeakPolarHBondContact OH-CD2 3.21Å; Y840-V875 HydrophobicContact CD2-CG1 4.33Å; Y840-V875 HydrophobicContact CE2-CB 4.48Å; Y840-V875 HydrophobicContact CE2-CG1 4.37Å; Y840-Y877 AromaticContact CD1-CD2 3.44Å; Y840-Y877 HydrophobicContact CD1-CD2 3.44Å; Y840-Y877 VanDerWaalsContact CD1-CD2 3.44Å; Y840-Y877 AromaticContact CD1-CE2 3.73Å; Y840-Y877 HydrophobicContact CD1-CE2 3.73Å; Y840-Y877 AromaticContact CE1-CD2 3.9Å; Y840-Y877 HydrophobicContact CE1-CD2 3.9Å; Y840-Y877 HydrophobicContact CE1-CE2 4.38Å; Y840-Y877 AromaticContact CG-CD2 3.94Å; Y840-Y877 HydrophobicContact CG-CD2 3.94Å; Y840-Y877 HydrophobicContact CG-CE2 4.4Å; Y840-L882 HydrophobicContact CD2-CD1 3.87Å; Y840-I903 HydrophobicContact CE1-CD1 3.93Å; Y840-I903 HydrophobicContact CE2-CD1 4.41Å; Y840-I903 WeakPolarHBondContact OH-CD1 3.46Å
841	D	81.1	Confident	82.8	Confident	66 Å²	66	57.9 Å²	57.9	35%	0.353	28%	0.277	S	S	.	.	H	α-helix	trans	-67.4	-43.4	-178	-63.6	-47.1	0	0	0	112.5	N839 L843 A844 N845 Y877	N839-D841 VanDerWaalsContact C-N 3.25Å; N839-D841 PolarHBondContact O-N 2.87Å; N839-D841 PolarHBondContact OD1-N 2.94Å; D841-L843 VanDerWaalsContact C-N 3.34Å; D841-A844 PolarHBondContact O-N 3.07Å; D841-N845 WeakPolarHBondContact O-CB 3.34Å; D841-N845 PolarHBondContact O-N 3.13Å; D841-N845 PolarHBondContact O-ND2 3.44Å; D841-Y877 WeakPolarHBondContact OD1-CE2 3.34Å; D841-Y877 VanDerWaalsContact OD1-CZ 3.29Å; D841-Y877 PolarHBondContact OD1-OH 3.13Å; D841-Y877 PolarHBondContact OD2-OH 3.45Å
842	Q	84.1	Confident	82.8	Confident	87 Å²	87	62.2 Å²	62.2	41%	0.407	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-41.6	178.3	-71.8	168.3	-31.8	0	0	111.1	Y838 N839 A846	Y838-Q842 HydrophobicContact CD1-CB 4.14Å; Y838-Q842 HydrophobicContact CD2-CB 3.99Å; Y838-Q842 HydrophobicContact CG-CB 3.78Å; N839-Q842 VanDerWaalsContact N-OE1 3.12Å; N839-Q842 PolarHBondContact O-N 3.35Å; N839-Q842 WeakPolarHBondContact OD1-CB 3.38Å; N839-Q842 VanDerWaalsContact OD1-CG 3.24Å; N839-Q842 WeakPolarHBondContact OD1-CG 3.5Å; N839-Q842 PolarHBondContact OD1-N 2.96Å; N839-Q842 PolarHBondContact OD1-OE1 2.97Å; Q842-A846 PolarHBondContact O-N 3.36Å; Q842-A846 VanDerWaalsContact O-N 3.13Å
843	L	84.3	Confident	82.8	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-49.7	172.6	179.9	66.4	0	0	0	111.3	F819 L834 N839 Y840 D841 N845 A846 V847 F860 L882	F819-L843 HydrophobicContact CE1-CD1 4.31Å; F819-L843 HydrophobicContact CZ-CD1 3.81Å; L834-L843 HydrophobicContact CD1-CD1 3.45Å; L834-L843 VanDerWaalsContact CD1-CD1 3.45Å; N839-L843 WeakPolarHBondContact O-CB 3.18Å; N839-L843 PolarHBondContact O-N 3.21Å; Y840-L843 PolarHBondContact O-N 2.9Å; D841-L843 VanDerWaalsContact C-N 3.34Å; L843-N845 VanDerWaalsContact C-N 3.33Å; L843-N845 PolarHBondContact O-N 2.87Å; L843-A846 PolarHBondContact O-N 2.99Å; L843-V847 HydrophobicContact CD1-CG2 4.31Å; L843-V847 VanDerWaalsContact O-CG2 3.29Å; L843-V847 WeakPolarHBondContact O-CG2 3.37Å; L843-V847 PolarHBondContact O-N 2.78Å; L843-F860 HydrophobicContact CD2-CD2 4.08Å; L843-F860 HydrophobicContact CD2-CE2 4.12Å; L843-F860 HydrophobicContact CD2-CG 4.46Å; L843-F860 HydrophobicContact CG-CE2 4.12Å; L843-F860 HydrophobicContact CG-CZ 4.23Å; L843-L882 HydrophobicContact CD2-CD1 3.78Å; L843-L882 HydrophobicContact CD2-CD2 3.7Å; L843-L882 HydrophobicContact CD2-CG 4.28Å
844	A	86	Confident	82.9	Confident	3 Å²	3	60.2 Å²	60.2	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-41.6	-179.9	0	0	0	0	0	111.7	Y840 D841 A848 P855 F860	Y840-A844 HydrophobicContact CD1-CB 4.37Å; Y840-A844 HydrophobicContact CE1-CB 4.23Å; Y840-A844 VanDerWaalsContact O-CB 3.22Å; Y840-A844 WeakPolarHBondContact O-CB 3.43Å; Y840-A844 PolarHBondContact O-N 2.77Å; D841-A844 PolarHBondContact O-N 3.07Å; A844-A848 WeakPolarHBondContact O-CA 3.29Å; A844-A848 WeakPolarHBondContact O-CB 3.43Å; A844-A848 PolarHBondContact O-N 2.78Å; A844-P855 HydrophobicContact CB-CB 4.12Å; A844-F860 HydrophobicContact CB-CE2 4.05Å
845	N	87.9	Confident	83	Confident	86 Å²	86	61.3 Å²	61.3	46%	0.46	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-48	177.3	-72.8	-32.6	0	0	0	112	D841 L843 V847 A848 E849 P855	D841-N845 WeakPolarHBondContact O-CB 3.34Å; D841-N845 PolarHBondContact O-N 3.13Å; D841-N845 PolarHBondContact O-ND2 3.44Å; L843-N845 VanDerWaalsContact C-N 3.33Å; L843-N845 PolarHBondContact O-N 2.87Å; N845-V847 PolarHBondContact O-N 3.33Å; N845-A848 PolarHBondContact O-N 3.04Å; N845-E849 WeakPolarHBondContact O-CB 3.43Å; N845-E849 PolarHBondContact O-N 2.76Å; N845-P855 VanDerWaalsContact OD1-CB 3.26Å; N845-P855 WeakPolarHBondContact OD1-CB 3.5Å; N845-P855 WeakPolarHBondContact OD1-CG 3.3Å
846	A	86.4	Confident	83.1	Confident	23 Å²	23	64.7 Å²	64.7	19%	0.19	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-41	180	0	0	0	0	0	112.2	L834 Y838 Q842 L843 R850	L834-A846 HydrophobicContact CD2-CB 3.67Å; Y838-A846 HydrophobicContact CE2-CB 4.45Å; Q842-A846 PolarHBondContact O-N 3.36Å; Q842-A846 VanDerWaalsContact O-N 3.13Å; L843-A846 PolarHBondContact O-N 2.99Å; A846-R850 PolarHBondContact O-N 3.37Å
847	V	87.8	Confident	83.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.1	-38.8	176.5	177	0	0	0	0	111.2	F819 F830 L832 L843 N845 R850 L851 L858 F860	F819-V847 HydrophobicContact CD1-CG2 4.06Å; F819-V847 HydrophobicContact CD2-CG2 4.43Å; F819-V847 HydrophobicContact CE1-CG2 3.55Å; F819-V847 HydrophobicContact CE2-CG2 3.97Å; F819-V847 HydrophobicContact CG-CG2 4.47Å; F819-V847 HydrophobicContact CZ-CG2 3.5Å; F830-V847 HydrophobicContact CZ-CG1 4.09Å; L832-V847 HydrophobicContact CD1-CG2 4.07Å; L843-V847 HydrophobicContact CD1-CG2 4.31Å; L843-V847 VanDerWaalsContact O-CG2 3.29Å; L843-V847 WeakPolarHBondContact O-CG2 3.37Å; L843-V847 PolarHBondContact O-N 2.78Å; N845-V847 PolarHBondContact O-N 3.33Å; V847-R850 PolarHBondContact O-N 3.47Å; V847-L851 HydrophobicContact CG1-CD1 3.69Å; V847-L851 HydrophobicContact CG1-CG 4.23Å; V847-L851 WeakPolarHBondContact O-CB 3.42Å; V847-L851 WeakPolarHBondContact O-CG 3.3Å; V847-L851 PolarHBondContact O-N 3.28Å; V847-L858 HydrophobicContact CB-CD1 4.25Å; V847-L858 HydrophobicContact CG1-CD1 3.95Å; V847-F860 HydrophobicContact CB-CE1 4.25Å; V847-F860 HydrophobicContact CB-CZ 4.02Å; V847-F860 HydrophobicContact CG1-CE1 4.04Å; V847-F860 HydrophobicContact CG1-CZ 4.21Å; V847-F860 HydrophobicContact CG2-CE1 4.06Å; V847-F860 HydrophobicContact CG2-CZ 4.03Å
848	A	88	Confident	84.4	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38.6	179.4	0	0	0	0	0	113	A844 N845 R850 L851 N852 T853 P855 L858	A844-A848 WeakPolarHBondContact O-CA 3.29Å; A844-A848 WeakPolarHBondContact O-CB 3.43Å; A844-A848 PolarHBondContact O-N 2.78Å; N845-A848 PolarHBondContact O-N 3.04Å; A848-R850 VanDerWaalsContact C-N 3.31Å; A848-R850 PolarHBondContact O-N 2.7Å; A848-L851 CarbonylContact O-C 3.44Å; A848-L851 PolarHBondContact O-N 3.31Å; A848-N852 WeakPolarHBondContact O-CA 3.34Å; A848-N852 PolarHBondContact O-N 2.86Å; A848-T853 HydrophobicContact CB-CG2 4.21Å; A848-T853 WeakPolarHBondContact CB-O 3.5Å; A848-T853 PolarHBondContact O-N 3.14Å; A848-P855 HydrophobicContact CB-CB 4.05Å; A848-P855 HydrophobicContact CB-CG 3.65Å; A848-L858 HydrophobicContact CB-CD1 3.87Å
849	E	89.4	Confident	84.8	Confident	160 Å²	160	56 Å²	56	75%	0.748	28%	0.281	S	S	*	.	H	α-helix	trans	-60.5	-42.6	173.1	-172.2	174.6	-172.3	0	0	110.8	N845 L851 N852	N845-E849 WeakPolarHBondContact O-CB 3.43Å; N845-E849 PolarHBondContact O-N 2.76Å; E849-L851 VanDerWaalsContact C-N 3.34Å; E849-L851 PolarHBondContact O-N 3.46Å; E849-N852 PolarHBondContact O-N 3.39Å
850	R	87.3	Confident	85.3	Confident	137 Å²	137	52.9 Å²	52.9	52%	0.517	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-31.1	177.4	-175.6	57.8	179.2	77.8	1.7	113.7	F830 L832 A846 V847 A848	F830-R850 HydrophobicContact CD2-CG 3.76Å; F830-R850 HydrophobicContact CE2-CB 4.3Å; F830-R850 HydrophobicContact CE2-CG 3.76Å; F830-R850 HydrophobicContact CG-CG 4.44Å; F830-R850 HydrophobicContact CZ-CG 4.44Å; L832-R850 HydrophobicContact CD1-CB 4.27Å; L832-R850 HydrophobicContact CD2-CB 4.4Å; L832-R850 HydrophobicContact CD2-CG 4.19Å; A846-R850 PolarHBondContact O-N 3.37Å; V847-R850 PolarHBondContact O-N 3.47Å; A848-R850 VanDerWaalsContact C-N 3.31Å; A848-R850 PolarHBondContact O-N 2.7Å
851	L	85.6	Confident	85.4	Confident	24 Å²	24	53.1 Å²	53.1	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-96.4	-1.4	-178.3	-68.8	-178.7	0	0	0	113.8	F830 V847 A848 E849 T853 L858 Y896	F830-L851 HydrophobicContact CD1-CD2 4.44Å; F830-L851 HydrophobicContact CE1-CD1 4.48Å; F830-L851 HydrophobicContact CE1-CD2 3.6Å; F830-L851 HydrophobicContact CE1-CG 4.2Å; F830-L851 HydrophobicContact CZ-CD1 4.24Å; F830-L851 HydrophobicContact CZ-CD2 3.89Å; F830-L851 HydrophobicContact CZ-CG 3.98Å; V847-L851 HydrophobicContact CG1-CD1 3.69Å; V847-L851 HydrophobicContact CG1-CG 4.23Å; V847-L851 WeakPolarHBondContact O-CB 3.42Å; V847-L851 WeakPolarHBondContact O-CG 3.3Å; V847-L851 PolarHBondContact O-N 3.28Å; A848-L851 CarbonylContact O-C 3.44Å; A848-L851 PolarHBondContact O-N 3.31Å; E849-L851 VanDerWaalsContact C-N 3.34Å; E849-L851 PolarHBondContact O-N 3.46Å; L851-T853 VanDerWaalsContact C-N 3.28Å; L851-T853 HydrophobicContact CB-CG2 3.99Å; L851-T853 PolarHBondContact O-N 2.85Å; L851-L858 HydrophobicContact CD1-CD2 4.11Å; L851-Y896 HydrophobicContact CD1-CD2 3.84Å; L851-Y896 HydrophobicContact CD1-CE1 4.24Å; L851-Y896 HydrophobicContact CD1-CE2 3.42Å; L851-Y896 VanDerWaalsContact CD1-CE2 3.42Å; L851-Y896 HydrophobicContact CD1-CG 4.44Å
852	N	86.3	Confident	85.2	Confident	158 Å²	158	53.6 Å²	53.6	85%	0.845	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	48.1	-172.2	-67.7	-46.3	0	0	0	112.9	A848 E849	A848-N852 WeakPolarHBondContact O-CA 3.34Å; A848-N852 PolarHBondContact O-N 2.86Å; E849-N852 PolarHBondContact O-N 3.39Å
853	T	85.1	Confident	84.6	Confident	43 Å²	43	51.5 Å²	51.5	26%	0.264	26%	0.26	S	S	.	.	S	Bend	trans	-129.1	174	-178.5	-160.1	0	0	0	0	112	A848 L851 L858	A848-T853 HydrophobicContact CB-CG2 4.21Å; A848-T853 WeakPolarHBondContact CB-O 3.5Å; A848-T853 PolarHBondContact O-N 3.14Å; L851-T853 VanDerWaalsContact C-N 3.28Å; L851-T853 HydrophobicContact CB-CG2 3.99Å; L851-T853 PolarHBondContact O-N 2.85Å; T853-L858 HydrophobicContact CG2-CD1 3.82Å; T853-L858 HydrophobicContact CG2-CD2 3.81Å; T853-L858 HydrophobicContact CG2-CG 3.79Å
854	D	83.6	Confident	83.4	Confident	69 Å²	69	55.5 Å²	55.5	37%	0.369	28%	0.281	S	S	.	.			trans	-79.3	124.7	175.9	-177.8	-16.9	0	0	0	109.4	Q856 K857	D854-Q856 PolarHBondContact O-N 2.5Å; D854-Q856 VanDerWaalsContact O-N 3.13Å; D854-Q856 PolarHBondContact OD1-N 2.97Å; D854-K857 HydrophobicContact CB-CB 4.26Å; D854-K857 HydrophobicContact CB-CD 3.96Å; D854-K857 HydrophobicContact CB-CG 3.96Å; D854-K857 WeakPolarHBondContact O-CB 3.5Å; D854-K857 PolarHBondContact O-N 2.75Å
855	P	84.5	Confident	82	Confident	35 Å²	35	61.1 Å²	61.1	23%	0.227	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34	177.3	-23.2	29.4	0	0	0	113.7	A844 N845 A848 K857 L858	A844-P855 HydrophobicContact CB-CB 4.12Å; N845-P855 VanDerWaalsContact OD1-CB 3.26Å; N845-P855 WeakPolarHBondContact OD1-CB 3.5Å; N845-P855 WeakPolarHBondContact OD1-CG 3.3Å; A848-P855 HydrophobicContact CB-CB 4.05Å; A848-P855 HydrophobicContact CB-CG 3.65Å; P855-K857 PolarHBondContact O-N 3.46Å; P855-L858 PolarHBondContact O-N 3.15Å
856	Q	81.8	Confident	80.3	Confident	94 Å²	94	63.4 Å²	63.4	44%	0.439	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-74.4	-10.5	-179.9	-62.3	-164.1	3.9	0	0	113.6	D854 S902 I903	D854-Q856 PolarHBondContact O-N 2.5Å; D854-Q856 VanDerWaalsContact O-N 3.13Å; D854-Q856 PolarHBondContact OD1-N 2.97Å; Q856-S902 CarbonylContact O-C 3.5Å; Q856-S902 WeakPolarHBondContact O-CA 3.36Å; Q856-S902 PolarHBondContact OE1-OG 2.99Å; Q856-I903 PolarHBondContact O-N 3.41Å
857	K	83.6	Confident	78.3	Confident	85 Å²	85	73.1 Å²	73.1	37%	0.37	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-100.8	14	178.3	-63.6	-175.6	-171.6	174.2	0	112.5	D854 P855 R898 L899	D854-K857 HydrophobicContact CB-CB 4.26Å; D854-K857 HydrophobicContact CB-CD 3.96Å; D854-K857 HydrophobicContact CB-CG 3.96Å; D854-K857 WeakPolarHBondContact O-CB 3.5Å; D854-K857 PolarHBondContact O-N 2.75Å; P855-K857 PolarHBondContact O-N 3.46Å; K857-R898 CarbonylContact O-C 3.53Å; K857-R898 WeakPolarHBondContact O-CA 3.48Å; K857-L899 WeakPolarHBondContact O-CB 3.05Å; K857-L899 PolarHBondContact O-N 2.96Å
858	L	84.9	Confident	76.6	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.3	175.8	-70.7	176.1	0	0	0	111.1	Y840 V847 A848 L851 T853 P855 F860 Y896 R898 I903	Y840-L858 PolarHBondContact OH-O 3.2Å; V847-L858 HydrophobicContact CB-CD1 4.25Å; V847-L858 HydrophobicContact CG1-CD1 3.95Å; A848-L858 HydrophobicContact CB-CD1 3.87Å; L851-L858 HydrophobicContact CD1-CD2 4.11Å; T853-L858 HydrophobicContact CG2-CD1 3.82Å; T853-L858 HydrophobicContact CG2-CD2 3.81Å; T853-L858 HydrophobicContact CG2-CG 3.79Å; P855-L858 PolarHBondContact O-N 3.15Å; L858-F860 HydrophobicContact CB-CE2 4.47Å; L858-F860 HydrophobicContact CB-CZ 4.23Å; L858-F860 HydrophobicContact CD1-CZ 4.39Å; L858-Y896 HydrophobicContact CD2-CD2 4.08Å; L858-R898 HydrophobicContact CD2-CG 4.22Å; L858-I903 WeakPolarHBondContact O-CD1 3.47Å
859	Q	84.9	Confident	75.3	Confident	27 Å²	27	86.6 Å²	86.6	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.6	170.4	-179.5	171	30.4	0	0	110.6	Y840 F861 A874 Y896 Q897 L899 I903	Y840-Q859 WeakPolarHBondContact OH-CA 3.41Å; Q859-F861 HydrophobicContact CG-CE2 4.13Å; Q859-F861 HydrophobicContact CG-CZ 3.98Å; Q859-A874 HydrophobicContact CG-CB 4.4Å; Q859-A874 VanDerWaalsContact NE2-CB 3.32Å; Q859-Y896 CarbonylContact O-C 3.41Å; Q859-Y896 VanDerWaalsContact O-CA 3.32Å; Q859-Y896 WeakPolarHBondContact O-CA 3.45Å; Q859-Q897 HydrophobicContact CB-CG 4Å; Q859-Q897 PolarHBondContact N-O 3.23Å; Q859-Q897 VanDerWaalsContact N-O 3.07Å; Q859-Q897 PolarHBondContact O-N 2.98Å; Q859-L899 HydrophobicContact CB-CD1 3.94Å; Q859-L899 HydrophobicContact CB-CD2 4.21Å; Q859-L899 HydrophobicContact CB-CG 4.09Å; Q859-I903 HydrophobicContact CB-CD1 4.27Å; Q859-I903 HydrophobicContact CG-CD1 4.44Å
860	F	86.9	Confident	74.3	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	152.9	-178.7	-59.6	-69.5	0	0	0	112.5	F819 Y840 L843 A844 V847 L858 A874 V875 I894 F895	F819-F860 HydrophobicContact CD1-CE1 4.25Å; F819-F860 HydrophobicContact CE1-CD1 4.26Å; F819-F860 AromaticContact CE1-CE1 3.96Å; F819-F860 HydrophobicContact CE1-CE1 3.96Å; Y840-F860 HydrophobicContact CD2-CD2 4.47Å; Y840-F860 HydrophobicContact CE1-CD2 4.32Å; Y840-F860 HydrophobicContact CE1-CE2 4.33Å; Y840-F860 AromaticContact CE2-CD2 3.68Å; Y840-F860 HydrophobicContact CE2-CD2 3.68Å; Y840-F860 HydrophobicContact CE2-CE2 4.44Å; Y840-F860 AromaticContact CZ-CD2 3.55Å; Y840-F860 AromaticContact CZ-CE2 4Å; Y840-F860 WeakPolarHBondContact OH-CD2 3.21Å; L843-F860 HydrophobicContact CD2-CD2 4.08Å; L843-F860 HydrophobicContact CD2-CE2 4.12Å; L843-F860 HydrophobicContact CD2-CG 4.46Å; L843-F860 HydrophobicContact CG-CE2 4.12Å; L843-F860 HydrophobicContact CG-CZ 4.23Å; A844-F860 HydrophobicContact CB-CE2 4.05Å; V847-F860 HydrophobicContact CB-CE1 4.25Å; V847-F860 HydrophobicContact CB-CZ 4.02Å; V847-F860 HydrophobicContact CG1-CE1 4.04Å; V847-F860 HydrophobicContact CG1-CZ 4.21Å; V847-F860 HydrophobicContact CG2-CE1 4.06Å; V847-F860 HydrophobicContact CG2-CZ 4.03Å; L858-F860 HydrophobicContact CB-CE2 4.47Å; L858-F860 HydrophobicContact CB-CZ 4.23Å; L858-F860 HydrophobicContact CD1-CZ 4.39Å; F860-A874 WeakPolarHBondContact O-CA 3.44Å; F860-V875 HydrophobicContact CB-CB 4.41Å; F860-V875 HydrophobicContact CB-CG2 4.28Å; F860-V875 PolarHBondContact O-N 3.29Å; F860-I894 HydrophobicContact CB-CG2 4.06Å; F860-I894 HydrophobicContact CD1-CG2 3.96Å; F860-I894 HydrophobicContact CG-CG2 4.37Å; F860-F895 CarbonylContact C-O 3.58Å; F860-F895 WeakPolarHBondContact CA-O 3.27Å
861	F	83.9	Confident	73.5	Confident	10 Å²	10	77.9 Å²	77.9	4%	0.044	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.8	177.6	-54.4	-96.8	0	0	0	110.2	K822 Q859 A871 G872 N873 A874 F895 Q897	K822-F861 HydrophobicContact CD-CD1 4.41Å; K822-F861 HydrophobicContact CD-CD2 3.81Å; K822-F861 HydrophobicContact CD-CE1 4.26Å; K822-F861 HydrophobicContact CD-CE2 3.62Å; K822-F861 HydrophobicContact CD-CG 4.22Å; K822-F861 HydrophobicContact CD-CZ 3.88Å; Q859-F861 HydrophobicContact CG-CE2 4.13Å; Q859-F861 HydrophobicContact CG-CZ 3.98Å; F861-A871 HydrophobicContact CB-CB 4.28Å; F861-G872 WeakPolarHBondContact CD1-O 3.39Å; F861-N873 WeakPolarHBondContact CA-O 3.16Å; F861-A874 VanDerWaalsContact CD1-CA 3.49Å; F861-A874 HydrophobicContact CD1-CB 3.92Å; F861-A874 HydrophobicContact CE1-CB 3.67Å; F861-A874 HydrophobicContact CZ-CB 4.47Å; F861-F895 HydrophobicContact CB-CB 4.15Å; F861-F895 PolarHBondContact N-O 3.36Å; F861-F895 PolarHBondContact O-N 3.26Å; F861-Q897 HydrophobicContact CE2-CB 4.06Å; F861-Q897 HydrophobicContact CE2-CG 3.67Å; F861-Q897 VanDerWaalsContact CZ-CD 3.46Å; F861-Q897 HydrophobicContact CZ-CG 4.08Å
862	M	77.6	Confident	72.7	Confident	77 Å²	77	77.2 Å²	77.2	38%	0.379	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	148.3	175.2	-59.7	-57.9	-74.2	0	0	110.8	G872 N873 V875 L882	M862-G872 WeakPolarHBondContact O-CA 3.41Å; M862-G872 PolarHBondContact O-N 2.69Å; M862-N873 PolarHBondContact N-O 2.93Å; M862-V875 HydrophobicContact CG-CG2 3.69Å; M862-V875 HydrophobicContact SD-CG2 3.87Å; M862-L882 VanDerWaalsContact CE-O 3.3Å; M862-L882 WeakPolarHBondContact CE-O 3.36Å; M862-L882 HydrophobicContact SD-CD2 4.07Å
863	C	69.9	Low	72	Confident	42 Å²	42	76.3 Å²	76.3	28%	0.284	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135	173.3	-168.7	0	0	0	0	111.4	N865 F895	C863-N865 PolarHBondContact O-N 2.92Å; C863-F895 HydrophobicContact CB-CE2 4.35Å
864	I	60.5	Low	71.4	Confident	89 Å²	89	76.3 Å²	76.3	46%	0.456	39%	0.391	S	S	.	.	S	Bend	trans	-88.2	100	175.1	-54.9	179.8	0	0	0	109.1	T870	I864-T870 PolarHBondContact N-O 3.33Å
865	N	55.4	Low	71	Confident	122 Å²	122	73.4 Å²	73.4	65%	0.652	38%	0.375	S	S	*	.			trans	66.3	137.9	178	-67.4	-28.9	0	0	0	115.9	C863 Y867 K868	C863-N865 PolarHBondContact O-N 2.92Å; N865-Y867 PolarHBondContact O-N 2.56Å; N865-K868 PolarHBondContact O-N 3.46Å
866	N	51.8	Low	70	Confident	133 Å²	133	74.5 Å²	74.5	71%	0.711	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-5.5	179	-66.5	2.2	0	0	0	115.4
867	Y	46.3	Very low	69.2	Low	228 Å²	228	72.6 Å²	72.6	89%	0.894	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-19.1	-177.9	-81.7	-84.6	0	0	0	114.6	N865	N865-Y867 PolarHBondContact O-N 2.56Å
868	K	51.5	Low	68	Low	158 Å²	158	73.9 Å²	73.9	69%	0.687	39%	0.387	S	S	*	.	S	Bend	trans	-128.1	100.2	177	-79.2	-171.7	176.1	-178.2	0	108.5	N865 T870	N865-K868 PolarHBondContact O-N 3.46Å; K868-T870 PolarHBondContact O-N 3.5Å; K868-T870 PolarHBondContact O-OG1 3Å
869	E	61.3	Low	66.7	Low	128 Å²	128	78 Å²	78	60%	0.598	40%	0.404	S	S	*	.			trans	-67.8	70.3	179.5	-62.6	-166.9	130.1	0	0	112.1	R893	E869-R893 IonicContact OE1-CZ 3.39Å; E869-R893 IonicContact OE1-NE 3.81Å; E869-R893 PolarHBondContact OE1-NE 2.76Å; E869-R893 VanDerWaalsContact OE1-NE 3.12Å; E869-R893 IonicContact OE1-NH2 3.33Å; E869-R893 PolarHBondContact OE1-NH2 3.2Å; E869-R893 IonicContact OE2-CZ 2.72Å; E869-R893 IonicContact OE2-NH2 2.67Å; E869-R893 PolarHBondContact OE2-NH2 2.95Å
870	T	67.3	Low	65.3	Low	83 Å²	83	85 Å²	85	51%	0.509	44%	0.435	S	S	.	.			trans	-129	144.9	-179.8	29.5	0	0	0	0	111.4	I864 K868 G872	I864-T870 PolarHBondContact N-O 3.33Å; K868-T870 PolarHBondContact O-N 3.5Å; K868-T870 PolarHBondContact O-OG1 3Å; T870-G872 PolarHBondContact O-N 3.2Å
871	A	70	Confident	63.9	Low	30 Å²	30	89.6 Å²	89.6	25%	0.248	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	124.9	-179.6	0	0	0	0	0	111.1	K822 F861 F895	K822-A871 HydrophobicContact CD-CB 3.96Å; K822-A871 HydrophobicContact CG-CB 3.94Å; F861-A871 HydrophobicContact CB-CB 4.28Å; A871-F895 HydrophobicContact CB-CB 3.78Å; A871-F895 HydrophobicContact CB-CD1 4.11Å; A871-F895 HydrophobicContact CB-CD2 3.88Å; A871-F895 HydrophobicContact CB-CE2 4.5Å; A871-F895 HydrophobicContact CB-CG 3.66Å
872	G	70.1	Confident	62.7	Low	10 Å²	10	89.5 Å²	89.5	10%	0.103	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-142	-178.9	0	0	0	0	0	115.3	F861 M862 T870	F861-G872 WeakPolarHBondContact CD1-O 3.39Å; M862-G872 WeakPolarHBondContact O-CA 3.41Å; M862-G872 PolarHBondContact O-N 2.69Å; T870-G872 PolarHBondContact O-N 3.2Å
873	N	70.4	Confident	61.7	Low	140 Å²	140	86.4 Å²	86.4	75%	0.749	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.9	179.5	-69	-27.1	0	0	0	110.8	F861 M862	F861-N873 WeakPolarHBondContact CA-O 3.16Å; M862-N873 PolarHBondContact N-O 2.93Å
874	A	73.1	Confident	61	Low	43 Å²	43	87.3 Å²	87.3	36%	0.355	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138	173.2	0	0	0	0	0	110	Q859 F860 F861	Q859-A874 HydrophobicContact CG-CB 4.4Å; Q859-A874 VanDerWaalsContact NE2-CB 3.32Å; F860-A874 WeakPolarHBondContact O-CA 3.44Å; F861-A874 VanDerWaalsContact CD1-CA 3.49Å; F861-A874 HydrophobicContact CD1-CB 3.92Å; F861-A874 HydrophobicContact CE1-CB 3.67Å; F861-A874 HydrophobicContact CZ-CB 4.47Å
875	V	74.3	Confident	60.3	Low	7 Å²	7	92.8 Å²	92.8	4%	0.042	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-76.9	124.3	175.1	-178.6	0	0	0	0	108.9	Y840 F860 M862 F879 L882	Y840-V875 HydrophobicContact CD2-CG1 4.33Å; Y840-V875 HydrophobicContact CE2-CB 4.48Å; Y840-V875 HydrophobicContact CE2-CG1 4.37Å; F860-V875 HydrophobicContact CB-CB 4.41Å; F860-V875 HydrophobicContact CB-CG2 4.28Å; F860-V875 PolarHBondContact O-N 3.29Å; M862-V875 HydrophobicContact CG-CG2 3.69Å; M862-V875 HydrophobicContact SD-CG2 3.87Å; V875-F879 HydrophobicContact CG1-CB 4.15Å; V875-F879 HydrophobicContact CG1-CD1 4.34Å; V875-L882 HydrophobicContact CG1-CD1 3.6Å; V875-L882 HydrophobicContact CG1-CD2 4.22Å; V875-L882 HydrophobicContact CG1-CG 3.69Å; V875-L882 HydrophobicContact CG2-CD2 4.17Å; V875-L882 HydrophobicContact CG2-CG 4.48Å
876	P	65.6	Low	60	Low	58 Å²	58	90.3 Å²	90.3	38%	0.377	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-70.9	145.7	177	19.8	-18.8	0	0	0	111.2	T878 F879	P876-T878 PolarHBondContact O-N 3.21Å; P876-F879 HydrophobicContact CG-CB 4.04Å; P876-F879 HydrophobicContact CG-CD2 4.34Å; P876-F879 HydrophobicContact CG-CG 4.48Å; P876-F879 WeakPolarHBondContact O-CB 3.38Å; P876-F879 PolarHBondContact O-N 3.25Å; P876-F879 VanDerWaalsContact O-N 3.08Å
877	Y	64.3	Low	59.7	Low	55 Å²	55	93.1 Å²	93.1	22%	0.216	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.4	-177.4	-179.5	-103.1	0	0	0	113	Y840 D841 F879 I903 H904	Y840-Y877 AromaticContact CD1-CD2 3.44Å; Y840-Y877 HydrophobicContact CD1-CD2 3.44Å; Y840-Y877 VanDerWaalsContact CD1-CD2 3.44Å; Y840-Y877 AromaticContact CD1-CE2 3.73Å; Y840-Y877 HydrophobicContact CD1-CE2 3.73Å; Y840-Y877 AromaticContact CE1-CD2 3.9Å; Y840-Y877 HydrophobicContact CE1-CD2 3.9Å; Y840-Y877 HydrophobicContact CE1-CE2 4.38Å; Y840-Y877 AromaticContact CG-CD2 3.94Å; Y840-Y877 HydrophobicContact CG-CD2 3.94Å; Y840-Y877 HydrophobicContact CG-CE2 4.4Å; D841-Y877 WeakPolarHBondContact OD1-CE2 3.34Å; D841-Y877 VanDerWaalsContact OD1-CZ 3.29Å; D841-Y877 PolarHBondContact OD1-OH 3.13Å; D841-Y877 PolarHBondContact OD2-OH 3.45Å; Y877-F879 VanDerWaalsContact C-N 3.27Å; Y877-F879 PolarHBondContact O-N 3.08Å; Y877-I903 HydrophobicContact CD2-CG2 3.99Å; Y877-I903 HydrophobicContact CE2-CG2 4.36Å; Y877-H904 AromaticContact CE1-CE1 3.73Å; Y877-H904 AromaticContact CE1-NE2 3.37Å; Y877-H904 WeakPolarHBondContact CE1-NE2 3.38Å; Y877-H904 AromaticContact CE2-CE1 3.57Å; Y877-H904 AromaticContact CZ-CE1 3.26Å; Y877-H904 AromaticContact CZ-NE2 3.32Å; Y877-H904 VanDerWaalsContact CZ-NE2 3.32Å; Y877-H904 PolarHBondContact OH-CE1 2.87Å; Y877-H904 PolarHBondContact OH-NE2 3.1Å
878	T	57.6	Low	59.9	Low	112 Å²	112	90.2 Å²	90.2	69%	0.687	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.6	179.4	45.1	0	0	0	0	114.4	P876 K880	P876-T878 PolarHBondContact O-N 3.21Å; T878-K880 PolarHBondContact O-N 3.29Å
879	F	58	Low	59.7	Low	85 Å²	85	87.2 Å²	87.2	37%	0.373	46%	0.457	S	S	.	.			trans	-73	111.2	-176.6	-158.5	-110.9	0	0	0	110.7	V875 P876 Y877 D881	V875-F879 HydrophobicContact CG1-CB 4.15Å; V875-F879 HydrophobicContact CG1-CD1 4.34Å; P876-F879 HydrophobicContact CG-CB 4.04Å; P876-F879 HydrophobicContact CG-CD2 4.34Å; P876-F879 HydrophobicContact CG-CG 4.48Å; P876-F879 WeakPolarHBondContact O-CB 3.38Å; P876-F879 PolarHBondContact O-N 3.25Å; P876-F879 VanDerWaalsContact O-N 3.08Å; Y877-F879 VanDerWaalsContact C-N 3.27Å; Y877-F879 PolarHBondContact O-N 3.08Å; F879-D881 VanDerWaalsContact CE1-C 3.46Å; F879-D881 WeakPolarHBondContact CE1-O 3.43Å
880	K	55.3	Low	59.5	Low	176 Å²	176	83.9 Å²	83.9	77%	0.765	45%	0.447	S	S	*	.	S	Bend	trans	-76.4	-22.9	-175.2	-77.4	-174.3	174	-178.1	0	114.4	T878	T878-K880 PolarHBondContact O-N 3.29Å
881	D	58	Low	59.3	Low	96 Å²	96	84 Å²	84	51%	0.513	45%	0.448	S	S	.	.			trans	-128.9	69.7	-171.7	-64	-35.3	0	0	0	112.2	F879 V883 S884	F879-D881 VanDerWaalsContact CE1-C 3.46Å; F879-D881 WeakPolarHBondContact CE1-O 3.43Å; D881-V883 PolarHBondContact O-N 3.24Å; D881-S884 WeakPolarHBondContact CB-OG 3.21Å; D881-S884 PolarHBondContact O-OG 3.36Å
882	L	58.6	Low	59.5	Low	7 Å²	7	84 Å²	84	4%	0.037	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23	-175.9	-131.9	134.4	0	0	0	113.9	Y840 L843 M862 V875 I894	Y840-L882 HydrophobicContact CD2-CD1 3.87Å; L843-L882 HydrophobicContact CD2-CD1 3.78Å; L843-L882 HydrophobicContact CD2-CD2 3.7Å; L843-L882 HydrophobicContact CD2-CG 4.28Å; M862-L882 VanDerWaalsContact CE-O 3.3Å; M862-L882 WeakPolarHBondContact CE-O 3.36Å; M862-L882 HydrophobicContact SD-CD2 4.07Å; V875-L882 HydrophobicContact CG1-CD1 3.6Å; V875-L882 HydrophobicContact CG1-CD2 4.22Å; V875-L882 HydrophobicContact CG1-CG 3.69Å; V875-L882 HydrophobicContact CG2-CD2 4.17Å; V875-L882 HydrophobicContact CG2-CG 4.48Å; L882-I894 HydrophobicContact CD2-CD1 3.98Å
883	V	57.4	Low	59.9	Low	13 Å²	13	86.3 Å²	86.3	8%	0.079	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	12.2	-164.5	-170.6	0	0	0	0	114.4	I815 I817 N836 D881 K892	I815-V883 HydrophobicContact CD1-CB 3.91Å; I815-V883 HydrophobicContact CD1-CG1 3.35Å; I815-V883 HydrophobicContact CD1-CG2 3.88Å; I817-V883 HydrophobicContact CD1-CG2 4.33Å; N836-V883 VanDerWaalsContact OD1-C 3.3Å; N836-V883 WeakPolarHBondContact OD1-CB 3.5Å; N836-V883 PolarHBondContact OD1-O 3.25Å; D881-V883 PolarHBondContact O-N 3.24Å; V883-K892 HydrophobicContact CG1-CD 3.44Å; V883-K892 VanDerWaalsContact CG1-CD 3.44Å; V883-K892 PolarHBondContact O-NZ 3Å
884	S	53.3	Low	60.6	Low	61 Å²	61	79.9 Å²	79.9	43%	0.427	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14	-174.8	56.9	0	0	0	0	116.3	D881	D881-S884 WeakPolarHBondContact CB-OG 3.21Å; D881-S884 PolarHBondContact O-OG 3.36Å
885	Y	47.6	Very low	61.3	Low	204 Å²	204	78.8 Å²	78.8	80%	0.8	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	11.2	-165.9	-85.6	-82.1	0	0	0	117.5
886	T	48.7	Very low	62	Low	70 Å²	70	78.5 Å²	78.5	43%	0.429	40%	0.399	S	S	.	.	S	Bend	trans	-135.4	142.7	-176.6	52.8	0	0	0	0	114.3	Q888	T886-Q888 PolarHBondContact O-N 3.2Å
887	K	44.7	Very low	63	Low	192 Å²	192	77.4 Å²	77.4	84%	0.835	39%	0.389	S	S	*	.			trans	-53.2	132.6	176.9	-73.1	-178.9	176.6	179.3	0	110.2	S889	K887-S889 PolarHBondContact O-N 2.98Å
888	Q	51	Low	64	Low	166 Å²	166	80.4 Å²	80.4	78%	0.776	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	0.6	-171	-79.7	170.3	-29.1	0	0	117.2	T886	T886-Q888 PolarHBondContact O-N 3.2Å
889	S	47.5	Very low	65	Low	96 Å²	96	76.5 Å²	76.5	67%	0.671	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-7.9	-166	-152.4	0	0	0	0	116.1	K887	K887-S889 PolarHBondContact O-N 2.98Å
890	S	57.4	Low	65.5	Low	57 Å²	57	77.9 Å²	77.9	40%	0.399	40%	0.395	S	S	.	.	S	Bend	trans	-112.5	136.5	-180	59.5	0	0	0	0	111.3	K892	S890-K892 PolarHBondContact O-N 3.13Å
891	T	62.2	Low	66.2	Low	87 Å²	87	73.1 Å²	73.1	53%	0.534	38%	0.377	S	S	.	.			trans	-53.2	127.9	171.7	-43.8	0	0	0	0	109.9	I818	I818-T891 HydrophobicContact CD1-CG2 3.48Å; I818-T891 VanDerWaalsContact CD1-CG2 3.48Å; I818-T891 HydrophobicContact CG1-CG2 3.75Å
892	K	74.2	Confident	66.9	Low	28 Å²	28	69.7 Å²	69.7	12%	0.122	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.2	-171.9	-63.9	-175.7	178.5	-178.3	0	109.5	E816 I817 I818 V883 S890	E816-K892 PolarHBondContact O-N 2.96Å; I817-K892 CarbonylContact C-O 3.58Å; I817-K892 WeakPolarHBondContact CA-O 3.48Å; I817-K892 HydrophobicContact CG1-CB 4.42Å; I817-K892 HydrophobicContact CG2-CB 4.49Å; I818-K892 PolarHBondContact N-O 3.24Å; V883-K892 HydrophobicContact CG1-CD 3.44Å; V883-K892 VanDerWaalsContact CG1-CD 3.44Å; V883-K892 PolarHBondContact O-NZ 3Å; S890-K892 PolarHBondContact O-N 3.13Å
893	R	79.1	Confident	67.4	Low	59 Å²	59	69.7 Å²	69.7	22%	0.223	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.1	174.2	-168.5	-171.9	-72.4	-100.8	7.9	110.5	I818 S820 D829 E869 F895	I818-R893 HydrophobicContact CB-CG 4.46Å; I818-R893 HydrophobicContact CG2-CG 4.39Å; I818-R893 CarbonylContact O-C 3.51Å; I818-R893 WeakPolarHBondContact O-CA 3.3Å; S820-R893 PolarHBondContact OG-NH1 3.33Å; D829-R893 IonicContact OD1-NH1 3.07Å; D829-R893 IonicContact OD2-CZ 2.72Å; D829-R893 IonicContact OD2-NH1 3.56Å; D829-R893 PolarHBondContact OD2-NH1 2.97Å; D829-R893 IonicContact OD2-NH2 2.96Å; E869-R893 IonicContact OE1-CZ 3.39Å; E869-R893 IonicContact OE1-NE 3.81Å; E869-R893 PolarHBondContact OE1-NE 2.76Å; E869-R893 VanDerWaalsContact OE1-NE 3.12Å; E869-R893 IonicContact OE1-NH2 3.33Å; E869-R893 PolarHBondContact OE1-NH2 3.2Å; E869-R893 IonicContact OE2-CZ 2.72Å; E869-R893 IonicContact OE2-NH2 2.67Å; E869-R893 PolarHBondContact OE2-NH2 2.95Å; R893-F895 HydrophobicContact CG-CE2 4.37Å
894	I	85.7	Confident	67.8	Low	5 Å²	5	72.7 Å²	72.7	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.4	173.8	-63.9	-176.2	0	0	0	108.3	I817 I818 F819 S820 F860 L882	I817-I894 HydrophobicContact CD1-CD1 4.1Å; I817-I894 HydrophobicContact CG2-CB 4.07Å; I817-I894 HydrophobicContact CG2-CD1 3.79Å; I817-I894 HydrophobicContact CG2-CG1 3.71Å; I818-I894 PolarHBondContact O-N 3.23Å; F819-I894 VanDerWaalsContact CA-O 3.3Å; F819-I894 WeakPolarHBondContact CA-O 3.16Å; F819-I894 HydrophobicContact CD1-CB 4.14Å; F819-I894 HydrophobicContact CD1-CG2 4.25Å; F819-I894 HydrophobicContact CE1-CB 4.02Å; F819-I894 HydrophobicContact CE1-CD1 4.48Å; F819-I894 HydrophobicContact CE1-CG2 4.06Å; S820-I894 PolarHBondContact N-O 2.96Å; F860-I894 HydrophobicContact CB-CG2 4.06Å; F860-I894 HydrophobicContact CD1-CG2 3.96Å; F860-I894 HydrophobicContact CG-CG2 4.37Å; L882-I894 HydrophobicContact CD2-CD1 3.98Å
895	F	87	Confident	68.3	Low	20 Å²	20	74.4 Å²	74.4	9%	0.088	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.6	173.5	-66.2	-94.1	0	0	0	109.9	S820 F860 F861 C863 A871 R893	S820-F895 CarbonylContact O-C 3.58Å; S820-F895 VanDerWaalsContact O-CA 3.23Å; S820-F895 WeakPolarHBondContact O-CA 3.37Å; F860-F895 CarbonylContact C-O 3.58Å; F860-F895 WeakPolarHBondContact CA-O 3.27Å; F861-F895 HydrophobicContact CB-CB 4.15Å; F861-F895 PolarHBondContact N-O 3.36Å; F861-F895 PolarHBondContact O-N 3.26Å; C863-F895 HydrophobicContact CB-CE2 4.35Å; A871-F895 HydrophobicContact CB-CB 3.78Å; A871-F895 HydrophobicContact CB-CD1 4.11Å; A871-F895 HydrophobicContact CB-CD2 3.88Å; A871-F895 HydrophobicContact CB-CE2 4.5Å; A871-F895 HydrophobicContact CB-CG 3.66Å; R893-F895 HydrophobicContact CG-CE2 4.37Å
896	Y	88.9	Confident	69.1	Low	2 Å²	2	66.6 Å²	66.6	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160.7	173.7	74.5	-87.4	0	0	0	111.5	F819 S820 D821 K822 F830 L851 L858 Q859 R898	F819-Y896 HydrophobicContact CB-CD1 4.06Å; F819-Y896 HydrophobicContact CB-CE1 4.23Å; S820-Y896 WeakPolarHBondContact O-CD1 3.4Å; S820-Y896 PolarHBondContact O-N 3.3Å; D821-Y896 HydrophobicContact CB-CE1 4.31Å; D821-Y896 HydrophobicContact CB-CE2 4.38Å; D821-Y896 WeakPolarHBondContact OD2-CE2 3.45Å; K822-Y896 WeakPolarHBondContact CB-O 3.15Å; K822-Y896 PolarHBondContact N-O 3.46Å; F830-Y896 AromaticContact CE1-CE1 3.65Å; F830-Y896 HydrophobicContact CE1-CE1 3.65Å; F830-Y896 HydrophobicContact CZ-CE1 4.18Å; L851-Y896 HydrophobicContact CD1-CD2 3.84Å; L851-Y896 HydrophobicContact CD1-CE1 4.24Å; L851-Y896 HydrophobicContact CD1-CE2 3.42Å; L851-Y896 VanDerWaalsContact CD1-CE2 3.42Å; L851-Y896 HydrophobicContact CD1-CG 4.44Å; L858-Y896 HydrophobicContact CD2-CD2 4.08Å; Q859-Y896 CarbonylContact O-C 3.41Å; Q859-Y896 VanDerWaalsContact O-CA 3.32Å; Q859-Y896 WeakPolarHBondContact O-CA 3.45Å; Y896-R898 HydrophobicContact CE2-CG 4.49Å
897	Q	86.7	Confident	69.6	Low	35 Å²	35	65.9 Å²	65.9	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.8	166.8	77.4	-175.4	10	0	0	110.5	Q859 F861 L899	Q859-Q897 HydrophobicContact CB-CG 4Å; Q859-Q897 PolarHBondContact N-O 3.23Å; Q859-Q897 VanDerWaalsContact N-O 3.07Å; Q859-Q897 PolarHBondContact O-N 2.98Å; F861-Q897 HydrophobicContact CE2-CB 4.06Å; F861-Q897 HydrophobicContact CE2-CG 3.67Å; F861-Q897 VanDerWaalsContact CZ-CD 3.46Å; F861-Q897 HydrophobicContact CZ-CG 4.08Å; Q897-L899 HydrophobicContact CG-CD2 4.15Å
898	R	86	Confident	70.6	Confident	118 Å²	118	62.1 Å²	62.1	45%	0.445	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.1	173.1	-59.5	179.8	-173.3	142.2	12.5	110	E827 K857 L858 Y896	E827-R898 IonicContact OE1-CZ 3.62Å; E827-R898 IonicContact OE1-NH2 2.67Å; E827-R898 PolarHBondContact OE1-NH2 3.11Å; K857-R898 CarbonylContact O-C 3.53Å; K857-R898 WeakPolarHBondContact O-CA 3.48Å; L858-R898 HydrophobicContact CD2-CG 4.22Å; Y896-R898 HydrophobicContact CE2-CG 4.49Å
899	L	76.8	Confident	71.4	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.157	31%	0.306	C	S	.	.			trans	-96.8	151.4	-179.7	-61.3	178.7	0	0	0	111.4	K857 Q859 Q897 L901 I903 L906	K857-L899 WeakPolarHBondContact O-CB 3.05Å; K857-L899 PolarHBondContact O-N 2.96Å; Q859-L899 HydrophobicContact CB-CD1 3.94Å; Q859-L899 HydrophobicContact CB-CD2 4.21Å; Q859-L899 HydrophobicContact CB-CG 4.09Å; Q897-L899 HydrophobicContact CG-CD2 4.15Å; L899-L901 VanDerWaalsContact CB-O 3.29Å; L899-L901 WeakPolarHBondContact CB-O 3.35Å; L899-I903 HydrophobicContact CD1-CB 4.4Å; L899-L906 HydrophobicContact CD1-CD2 3.92Å; L899-L906 HydrophobicContact CD2-CD2 4.29Å
900	S	68.4	Low	72.4	Confident	113 Å²	113	56.3 Å²	56.3	79%	0.79	29%	0.29	S	S	*	.	S	Bend	trans	-85.6	-14.3	169.4	53.9	0	0	0	0	113.6
901	L	70.4	Confident	73.3	Confident	77 Å²	77	58.3 Å²	58.3	40%	0.403	29%	0.293	S	S	.	.	S	Bend	trans	-126.5	158.6	-178.2	-65.1	168	0	0	0	110.4	L899	L899-L901 VanDerWaalsContact CB-O 3.29Å; L899-L901 WeakPolarHBondContact CB-O 3.35Å
902	S	72.6	Confident	74.1	Confident	23 Å²	23	54.5 Å²	54.5	16%	0.161	27%	0.268	C	S	.	.			trans	-66	141	176.2	174.7	0	0	0	0	111.1	Q856 H904 E905 L906	Q856-S902 CarbonylContact O-C 3.5Å; Q856-S902 WeakPolarHBondContact O-CA 3.36Å; Q856-S902 PolarHBondContact OE1-OG 2.99Å; S902-H904 PolarHBondContact O-N 3.2Å; S902-H904 PolarHBondContact OG-N 3.07Å; S902-E905 WeakPolarHBondContact O-CB 3.45Å; S902-E905 PolarHBondContact O-N 2.77Å; S902-L906 PolarHBondContact O-N 2.82Å; S902-L906 VanDerWaalsContact O-N 3.13Å
903	I	68.9	Low	74.4	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-28.2	178.7	-167.1	148.3	0	0	0	113.6	Y840 Q856 L858 Q859 Y877 L899 E905 L906 D907	Y840-I903 HydrophobicContact CE1-CD1 3.93Å; Y840-I903 HydrophobicContact CE2-CD1 4.41Å; Y840-I903 WeakPolarHBondContact OH-CD1 3.46Å; Q856-I903 PolarHBondContact O-N 3.41Å; L858-I903 WeakPolarHBondContact O-CD1 3.47Å; Q859-I903 HydrophobicContact CB-CD1 4.27Å; Q859-I903 HydrophobicContact CG-CD1 4.44Å; Y877-I903 HydrophobicContact CD2-CG2 3.99Å; Y877-I903 HydrophobicContact CE2-CG2 4.36Å; L899-I903 HydrophobicContact CD1-CB 4.4Å; I903-E905 VanDerWaalsContact C-N 3.35Å; I903-L906 WeakPolarHBondContact O-CB 3.35Å; I903-L906 PolarHBondContact O-N 3.35Å; I903-D907 PolarHBondContact O-N 3.23Å
904	H	66.4	Low	74.7	Confident	75 Å²	75	56.2 Å²	56.2	35%	0.347	28%	0.278	S	S	.	.	H	α-helix	trans	-67.8	-36.1	176.4	-70	69.9	0	0	0	112.2	Y877 S902	Y877-H904 AromaticContact CE1-CE1 3.73Å; Y877-H904 AromaticContact CE1-NE2 3.37Å; Y877-H904 WeakPolarHBondContact CE1-NE2 3.38Å; Y877-H904 AromaticContact CE2-CE1 3.57Å; Y877-H904 AromaticContact CZ-CE1 3.26Å; Y877-H904 AromaticContact CZ-NE2 3.32Å; Y877-H904 VanDerWaalsContact CZ-NE2 3.32Å; Y877-H904 PolarHBondContact OH-CE1 2.87Å; Y877-H904 PolarHBondContact OH-NE2 3.1Å; S902-H904 PolarHBondContact O-N 3.2Å; S902-H904 PolarHBondContact OG-N 3.07Å
905	E	64.6	Low	74.7	Confident	98 Å²	98	57.6 Å²	57.6	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-73.6	-33.2	174.4	-62.8	-174.2	161.1	0	0	111.2	S902 I903 K909	S902-E905 WeakPolarHBondContact O-CB 3.45Å; S902-E905 PolarHBondContact O-N 2.77Å; I903-E905 VanDerWaalsContact C-N 3.35Å; E905-K909 WeakPolarHBondContact O-CD 3.41Å; E905-K909 WeakPolarHBondContact O-CG 3.29Å
906	L	62.9	Low	74.6	Confident	39 Å²	39	58 Å²	58	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-38.4	176.9	-166.4	71.8	0	0	0	111.7	L899 S902 I903 N908 K909 Y930	L899-L906 HydrophobicContact CD1-CD2 3.92Å; L899-L906 HydrophobicContact CD2-CD2 4.29Å; S902-L906 PolarHBondContact O-N 2.82Å; S902-L906 VanDerWaalsContact O-N 3.13Å; I903-L906 WeakPolarHBondContact O-CB 3.35Å; I903-L906 PolarHBondContact O-N 3.35Å; L906-N908 VanDerWaalsContact C-N 3.34Å; L906-N908 PolarHBondContact O-N 2.84Å; L906-K909 PolarHBondContact O-N 3.48Å; L906-K909 VanDerWaalsContact O-N 3.16Å; L906-Y930 HydrophobicContact CD1-CD1 4.34Å; L906-Y930 HydrophobicContact CD1-CE1 4.26Å
907	D	60.4	Low	74.4	Confident	55 Å²	55	57.9 Å²	57.9	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-73.6	-23.6	-175.5	-140.2	3.7	0	0	0	113.3	I903 K909 K933	I903-D907 PolarHBondContact O-N 3.23Å; D907-K909 VanDerWaalsContact C-N 3.35Å; D907-K933 WeakPolarHBondContact O-CE 3.3Å; D907-K933 PolarHBondContact O-NZ 2.92Å; D907-K933 IonicContact OD1-NZ 2.74Å
908	N	64.7	Low	74	Confident	113 Å²	113	57 Å²	57	60%	0.604	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.2	172	-76.1	-35.4	0	0	0	113.4	L906 N932 K933	L906-N908 VanDerWaalsContact C-N 3.34Å; L906-N908 PolarHBondContact O-N 2.84Å; N908-N932 WeakPolarHBondContact O-CA 2.97Å; N908-K933 PolarHBondContact O-N 3.22Å
909	K	68.6	Low	73.2	Confident	64 Å²	64	54.8 Å²	54.8	28%	0.278	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-103.3	149.1	180	-68.5	174.8	177.6	-176.3	0	110.2	E905 L906 D907 Y930 P931	E905-K909 WeakPolarHBondContact O-CD 3.41Å; E905-K909 WeakPolarHBondContact O-CG 3.29Å; L906-K909 PolarHBondContact O-N 3.48Å; L906-K909 VanDerWaalsContact O-N 3.16Å; D907-K909 VanDerWaalsContact C-N 3.35Å; K909-Y930 VanDerWaalsContact CD-O 3.24Å; K909-Y930 WeakPolarHBondContact CD-O 3.24Å; K909-Y930 VanDerWaalsContact CG-O 3.23Å; K909-Y930 WeakPolarHBondContact CG-O 3.48Å; K909-P931 CarbonylContact C-O 3.47Å; K909-P931 VanDerWaalsContact CA-O 3.22Å; K909-P931 WeakPolarHBondContact CA-O 3.45Å
910	K	69	Low	72.8	Confident	77 Å²	77	57.2 Å²	57.2	34%	0.335	30%	0.3	S	S	.	.			trans	-116.9	131.8	174.6	-167.1	168.4	-176.4	-177	0	108.2	F912 P931 K933 L982	K910-F912 PolarHBondContact O-N 2.84Å; K910-P931 PolarHBondContact N-O 2.9Å; K910-P931 VanDerWaalsContact O-CD 3.22Å; K910-P931 WeakPolarHBondContact O-CD 3.44Å; K910-K933 HydrophobicContact CB-CG 4.2Å; K910-L982 HydrophobicContact CD-CD1 3.58Å; K910-L982 HydrophobicContact CG-CD1 4.43Å
911	Q	75.9	Confident	73.1	Confident	99 Å²	99	52.8 Å²	52.8	46%	0.463	27%	0.268	S	S	.	.			trans	-66.3	120.5	175.5	-170.1	-179.4	55.2	0	0	109.4	K913 V928 L929 Y930	Q911-K913 HydrophobicContact CG-CG 4.45Å; Q911-V928 HydrophobicContact CG-CG1 3.53Å; Q911-V928 VanDerWaalsContact NE2-CG1 3.26Å; Q911-L929 WeakPolarHBondContact CA-O 3.21Å; Q911-Y930 HydrophobicContact CB-CD1 4.33Å; Q911-Y930 HydrophobicContact CB-CE1 4.01Å; Q911-Y930 HydrophobicContact CG-CE1 3.98Å; Q911-Y930 PolarHBondContact NE2-OH 2.5Å
912	F	78.8	Confident	73	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.5	174	-162.8	-80.3	0	0	0	108.8	K910 C914 L929 P931 L940 L978 L982 F998	K910-F912 PolarHBondContact O-N 2.84Å; F912-C914 HydrophobicContact CD1-CB 4.15Å; F912-C914 HydrophobicContact CE1-CB 4.02Å; F912-L929 PolarHBondContact N-O 2.81Å; F912-L929 PolarHBondContact O-N 2.9Å; F912-P931 HydrophobicContact CB-CG 4.15Å; F912-L940 HydrophobicContact CB-CD1 3.91Å; F912-L940 HydrophobicContact CD1-CD1 3.81Å; F912-L940 HydrophobicContact CD1-CD2 3.85Å; F912-L940 HydrophobicContact CE1-CD2 3.7Å; F912-L940 HydrophobicContact CE2-CD2 4.43Å; F912-L940 HydrophobicContact CG-CD1 3.85Å; F912-L940 HydrophobicContact CG-CD2 4.28Å; F912-L940 HydrophobicContact CZ-CD2 4.01Å; F912-L978 HydrophobicContact CE2-CD2 4.47Å; F912-L982 HydrophobicContact CD2-CD1 4.33Å; F912-L982 HydrophobicContact CD2-CD2 3.96Å; F912-L982 HydrophobicContact CD2-CG 4.35Å; F912-L982 HydrophobicContact CE2-CD2 3.89Å; F912-L982 HydrophobicContact CE2-CG 4.18Å; F912-F998 HydrophobicContact CE1-CB 3.91Å; F912-F998 HydrophobicContact CE1-CD2 4.05Å; F912-F998 HydrophobicContact CE1-CG 4.09Å; F912-F998 HydrophobicContact CE2-CD2 4.47Å; F912-F998 HydrophobicContact CZ-CB 4.15Å; F912-F998 HydrophobicContact CZ-CD1 4.42Å; F912-F998 AromaticContact CZ-CD2 3.57Å; F912-F998 HydrophobicContact CZ-CD2 3.57Å; F912-F998 HydrophobicContact CZ-CE2 4.02Å; F912-F998 AromaticContact CZ-CG 3.79Å; F912-F998 HydrophobicContact CZ-CG 3.79Å
913	K	80.4	Confident	72.9	Confident	121 Å²	121	59.6 Å²	59.6	53%	0.526	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.8	177.1	-62.6	-171.6	179.5	-174.8	0	109.7	Q911 V928	Q911-K913 HydrophobicContact CG-CG 4.45Å; K913-V928 HydrophobicContact CG-CG2 4.4Å
914	C	84.6	Confident	73.3	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	164.6	177.4	58.8	0	0	0	0	111.2	F912 L927 F998 I1000	F912-C914 HydrophobicContact CD1-CB 4.15Å; F912-C914 HydrophobicContact CE1-CB 4.02Å; C914-L927 PolarHBondContact N-O 2.78Å; C914-L927 PolarHBondContact O-N 2.96Å; C914-L927 VanDerWaalsContact O-O 3.11Å; C914-F998 CarbonylContact C-O 3.47Å; C914-F998 VanDerWaalsContact CA-O 3.29Å; C914-F998 WeakPolarHBondContact CA-O 3.46Å; C914-F998 HydrophobicContact CB-CB 4.13Å; C914-F998 VanDerWaalsContact CB-O 3.28Å; C914-F998 WeakPolarHBondContact CB-O 3.43Å; C914-I1000 VanDerWaalsContact SG-CD1 3.57Å
915	V	86	Confident	73.9	Confident	34 Å²	34	67 Å²	67	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.1	175.4	-176.7	0	0	0	0	109.4	V917 E924 T997 F998 R999 I1000	V915-V917 HydrophobicContact CG1-CG2 4.04Å; V915-E924 HydrophobicContact CG1-CB 4.18Å; V915-T997 HydrophobicContact CG2-CG2 3.89Å; V915-F998 PolarHBondContact N-O 2.89Å; V915-R999 CarbonylContact O-C 3.52Å; V915-R999 VanDerWaalsContact O-CA 3.22Å; V915-R999 WeakPolarHBondContact O-CA 3.3Å; V915-R999 WeakPolarHBondContact O-CG 3.42Å; V915-I1000 PolarHBondContact O-N 2.72Å
916	W	85.4	Confident	74.6	Confident	28 Å²	28	68.7 Å²	68.7	11%	0.106	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.6	164.8	165.8	-106.3	0	0	0	109.6	E924 K925 L927 I948 L958 I1000 E1002	W916-E924 CarbonylContact O-C 2.92Å; W916-E924 WeakPolarHBondContact O-CA 3.45Å; W916-K925 HydrophobicContact CB-CB 4.49Å; W916-K925 PolarHBondContact N-O 3.31Å; W916-K925 PolarHBondContact O-N 2.86Å; W916-L927 HydrophobicContact CB-CD1 3.54Å; W916-L927 HydrophobicContact CB-CG 3.73Å; W916-L927 HydrophobicContact CG-CD1 4.33Å; W916-I948 HydrophobicContact CD2-CD1 3.61Å; W916-I948 HydrophobicContact CD2-CG1 4Å; W916-I948 HydrophobicContact CD2-CG2 4.3Å; W916-I948 HydrophobicContact CE3-CD1 3.38Å; W916-I948 HydrophobicContact CE3-CG1 4.28Å; W916-I948 HydrophobicContact CG-CD1 4.24Å; W916-I948 HydrophobicContact CG-CG1 4.28Å; W916-I948 HydrophobicContact CH2-CD1 4.09Å; W916-I948 HydrophobicContact CH2-CG2 3.98Å; W916-I948 HydrophobicContact CZ2-CD1 4.33Å; W916-I948 HydrophobicContact CZ2-CG2 3.47Å; W916-I948 VanDerWaalsContact CZ2-CG2 3.47Å; W916-I948 HydrophobicContact CZ3-CD1 3.64Å; W916-L958 HydrophobicContact CH2-CD2 3.77Å; W916-L958 HydrophobicContact CZ3-CD2 3.61Å; W916-I1000 WeakPolarHBondContact CA-O 3.14Å; W916-I1000 HydrophobicContact CE3-CB 4.17Å; W916-I1000 HydrophobicContact CE3-CG2 3.85Å; W916-I1000 HydrophobicContact CZ3-CG2 3.96Å; W916-E1002 HydrophobicContact CH2-CB 3.98Å
917	V	84.1	Confident	75.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.9	171.9	177.4	0	0	0	0	109.6	V915 L921 D923 E924 R999 I1000 I1032	V915-V917 HydrophobicContact CG1-CG2 4.04Å; V917-L921 HydrophobicContact CG1-CD2 3.92Å; V917-D923 WeakPolarHBondContact CA-O 3.17Å; V917-E924 HydrophobicContact CG2-CB 4.47Å; V917-E924 HydrophobicContact CG2-CG 3.98Å; V917-R999 HydrophobicContact CB-CG 4.45Å; V917-R999 VanDerWaalsContact CG2-CD 3.44Å; V917-R999 HydrophobicContact CG2-CG 3.99Å; V917-I1000 PolarHBondContact N-O 3.39Å; V917-I1032 HydrophobicContact CG1-CG2 4.34Å
918	S	78.4	Confident	76.3	Confident	16 Å²	16	66.7 Å²	66.7	11%	0.112	33%	0.328	C	S	.	.			trans	-64.5	161.1	177.3	58.8	0	0	0	0	112.5	D920 L921 D923	S918-D920 WeakPolarHBondContact CB-OD1 3.5Å; S918-D920 PolarHBondContact O-N 3.42Å; S918-D920 VanDerWaalsContact O-N 3.14Å; S918-D920 PolarHBondContact OG-OD1 2.88Å; S918-L921 PolarHBondContact O-N 2.77Å; S918-D923 PolarHBondContact N-O 2.84Å; S918-D923 WeakPolarHBondContact OG-CB 3.22Å; S918-D923 PolarHBondContact OG-N 3.24Å; S918-D923 PolarHBondContact OG-O 3.11Å
919	S	70.1	Confident	77.1	Confident	71 Å²	71	61.3 Å²	61.3	50%	0.497	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	-178.8	-175.7	0	0	0	0	114
920	D	68.9	Low	77.5	Confident	82 Å²	82	61.5 Å²	61.5	44%	0.439	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.2	177.4	67.4	-23.8	0	0	0	113.4	S918 K922	S918-D920 WeakPolarHBondContact CB-OD1 3.5Å; S918-D920 PolarHBondContact O-N 3.42Å; S918-D920 VanDerWaalsContact O-N 3.14Å; S918-D920 PolarHBondContact OG-OD1 2.88Å; D920-K922 PolarHBondContact O-N 2.76Å; D920-K922 VanDerWaalsContact O-N 3.15Å
921	L	73.8	Confident	78.1	Confident	20 Å²	20	58.1 Å²	58.1	11%	0.105	28%	0.284	C	S	.	.	S	Bend	trans	59.2	19.2	178.7	-54.4	172.4	0	0	0	114.3	V917 S918 I1032 F1034 R1054	V917-L921 HydrophobicContact CG1-CD2 3.92Å; S918-L921 PolarHBondContact O-N 2.77Å; L921-I1032 HydrophobicContact CD2-CG2 4.34Å; L921-I1032 VanDerWaalsContact O-CD1 3.24Å; L921-I1032 WeakPolarHBondContact O-CD1 3.3Å; L921-F1034 HydrophobicContact CD1-CB 3.91Å; L921-F1034 HydrophobicContact CD1-CD1 3.91Å; L921-F1034 HydrophobicContact CD1-CD2 4.43Å; L921-F1034 HydrophobicContact CD1-CG 3.83Å; L921-F1034 HydrophobicContact CD2-CB 4.24Å; L921-R1054 HydrophobicContact CD1-CG 4.32Å
922	K	68.9	Low	78.3	Confident	133 Å²	133	57.5 Å²	57.5	58%	0.578	28%	0.284	S	S	*	.			trans	-102.6	-35.6	-177.6	-71.3	-178.2	179.8	-177	0	113.7	D920	D920-K922 PolarHBondContact O-N 2.76Å; D920-K922 VanDerWaalsContact O-N 3.15Å
923	D	70.1	Confident	77.9	Confident	110 Å²	110	61.9 Å²	61.9	59%	0.588	30%	0.303	S	S	*	.			trans	-100.7	113.1	-178.1	-63.3	-33.3	0	0	0	110.2	V917 S918	V917-D923 WeakPolarHBondContact CA-O 3.17Å; S918-D923 PolarHBondContact N-O 2.84Å; S918-D923 WeakPolarHBondContact OG-CB 3.22Å; S918-D923 PolarHBondContact OG-N 3.24Å; S918-D923 PolarHBondContact OG-O 3.11Å
924	E	76.9	Confident	77.7	Confident	113 Å²	113	63.7 Å²	63.7	53%	0.528	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128	168.4	-53.6	-159.6	137.2	0	0	109.8	V915 W916 V917 I1032	V915-E924 HydrophobicContact CG1-CB 4.18Å; W916-E924 CarbonylContact O-C 2.92Å; W916-E924 WeakPolarHBondContact O-CA 3.45Å; V917-E924 HydrophobicContact CG2-CB 4.47Å; V917-E924 HydrophobicContact CG2-CG 3.98Å; E924-I1032 HydrophobicContact CG-CD1 3.85Å; E924-I1032 WeakPolarHBondContact OE1-CD1 3.35Å; E924-I1032 VanDerWaalsContact OE1-CG1 3.22Å; E924-I1032 WeakPolarHBondContact OE1-CG1 3.47Å
925	K	79.1	Confident	77.4	Confident	126 Å²	126	65.5 Å²	65.5	55%	0.548	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.5	178.3	-173	176.3	-179.6	178.7	0	110.5	W916 L927	W916-K925 HydrophobicContact CB-CB 4.49Å; W916-K925 PolarHBondContact N-O 3.31Å; W916-K925 PolarHBondContact O-N 2.86Å; K925-L927 HydrophobicContact CD-CD2 4.38Å; K925-L927 HydrophobicContact CG-CD2 4.44Å; K925-L927 PolarHBondContact O-N 2.61Å
926	E	79.7	Confident	77.5	Confident	132 Å²	132	66 Å²	66	62%	0.617	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	124.7	170.8	-165.3	-179.9	173.4	0	0	109.6
927	L	78.6	Confident	77.5	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.8	174.8	-67.2	-172.7	0	0	0	109.8	C914 W916 K925 L929 I948	C914-L927 PolarHBondContact N-O 2.78Å; C914-L927 PolarHBondContact O-N 2.96Å; C914-L927 VanDerWaalsContact O-O 3.11Å; W916-L927 HydrophobicContact CB-CD1 3.54Å; W916-L927 HydrophobicContact CB-CG 3.73Å; W916-L927 HydrophobicContact CG-CD1 4.33Å; K925-L927 HydrophobicContact CD-CD2 4.38Å; K925-L927 HydrophobicContact CG-CD2 4.44Å; K925-L927 PolarHBondContact O-N 2.61Å; L927-L929 HydrophobicContact CB-CD2 4.35Å; L927-L929 HydrophobicContact CB-CG 4.27Å; L927-I948 HydrophobicContact CD1-CD1 4.04Å; L927-I948 HydrophobicContact CD1-CG1 4.07Å
928	V	79.4	Confident	77.6	Confident	44 Å²	44	70 Å²	70	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	106.9	167.4	-175.1	0	0	0	0	107.5	Q911 K913 Y930 K947	Q911-V928 HydrophobicContact CG-CG1 3.53Å; Q911-V928 VanDerWaalsContact NE2-CG1 3.26Å; K913-V928 HydrophobicContact CG-CG2 4.4Å; V928-Y930 HydrophobicContact CG1-CE2 3.89Å; V928-K947 PolarHBondContact O-NZ 2.77Å
929	L	81.3	Confident	77.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	155.2	-179.6	-56.4	177.8	0	0	0	109.8	Q911 F912 L927 L940 A944 K947 I1000	Q911-L929 WeakPolarHBondContact CA-O 3.21Å; F912-L929 PolarHBondContact N-O 2.81Å; F912-L929 PolarHBondContact O-N 2.9Å; L927-L929 HydrophobicContact CB-CD2 4.35Å; L927-L929 HydrophobicContact CB-CG 4.27Å; L929-L940 HydrophobicContact CB-CD1 3.91Å; L929-L940 HydrophobicContact CD1-CD1 3.6Å; L929-L940 HydrophobicContact CD1-CG 4.21Å; L929-L940 HydrophobicContact CG-CD1 4.39Å; L929-A944 HydrophobicContact CD1-CB 3.69Å; L929-A944 HydrophobicContact CD2-CB 4.48Å; L929-K947 HydrophobicContact CD2-CD 3.77Å; L929-K947 HydrophobicContact CD2-CG 4.45Å; L929-I1000 HydrophobicContact CD1-CD1 3.78Å
930	Y	78.4	Confident	78.7	Confident	69 Å²	69	66.2 Å²	66.2	27%	0.271	32%	0.324	S	S	.	.			trans	-130.1	63.9	-177.2	-65.2	-83.9	0	0	0	110.3	L906 K909 Q911 V928 E943	L906-Y930 HydrophobicContact CD1-CD1 4.34Å; L906-Y930 HydrophobicContact CD1-CE1 4.26Å; K909-Y930 VanDerWaalsContact CD-O 3.24Å; K909-Y930 WeakPolarHBondContact CD-O 3.24Å; K909-Y930 VanDerWaalsContact CG-O 3.23Å; K909-Y930 WeakPolarHBondContact CG-O 3.48Å; Q911-Y930 HydrophobicContact CB-CD1 4.33Å; Q911-Y930 HydrophobicContact CB-CE1 4.01Å; Q911-Y930 HydrophobicContact CG-CE1 3.98Å; Q911-Y930 PolarHBondContact NE2-OH 2.5Å; V928-Y930 HydrophobicContact CG1-CE2 3.89Å; Y930-E943 WeakPolarHBondContact CA-OE1 3.46Å; Y930-E943 VanDerWaalsContact N-CD 3.29Å; Y930-E943 PolarHBondContact N-OE1 2.93Å; Y930-E943 PolarHBondContact N-OE2 3.06Å; Y930-E943 VanDerWaalsContact N-OE2 3.1Å
931	P	81.6	Confident	79.6	Confident	5 Å²	5	63 Å²	63	3%	0.032	31%	0.307	C	S	.	.			trans	-71.8	162.8	178.1	30.6	-40.3	0	0	0	110.6	K909 K910 F912 D935 L940 E943 L978	K909-P931 CarbonylContact C-O 3.47Å; K909-P931 VanDerWaalsContact CA-O 3.22Å; K909-P931 WeakPolarHBondContact CA-O 3.45Å; K910-P931 PolarHBondContact N-O 2.9Å; K910-P931 VanDerWaalsContact O-CD 3.22Å; K910-P931 WeakPolarHBondContact O-CD 3.44Å; F912-P931 HydrophobicContact CB-CG 4.15Å; P931-D935 HydrophobicContact CB-CB 4.33Å; P931-L940 HydrophobicContact CB-CD1 4.42Å; P931-L940 HydrophobicContact CG-CD1 3.89Å; P931-E943 VanDerWaalsContact CA-OE2 3.24Å; P931-E943 WeakPolarHBondContact CA-OE2 3.38Å; P931-E943 WeakPolarHBondContact CD-OE2 3.43Å; P931-L978 HydrophobicContact CB-CD1 3.6Å; P931-L978 HydrophobicContact CG-CD1 3.51Å
932	N	79.8	Confident	80.2	Confident	86 Å²	86	67.1 Å²	67.1	46%	0.46	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-66.1	148.3	175.2	-67	-35.7	0	0	0	110.9	N908 N934 D935	N908-N932 WeakPolarHBondContact O-CA 2.97Å; N932-N934 PolarHBondContact O-N 2.91Å; N932-N934 VanDerWaalsContact O-N 3.13Å; N932-D935 HydrophobicContact CB-CB 4.17Å; N932-D935 WeakPolarHBondContact O-CB 3.37Å; N932-D935 PolarHBondContact O-N 3.31Å
933	K	69.6	Low	81	Confident	99 Å²	99	62.1 Å²	62.1	43%	0.43	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.2	-177.9	-76.5	173.7	173.5	169.7	0	114.3	D907 N908 K910	D907-K933 WeakPolarHBondContact O-CE 3.3Å; D907-K933 PolarHBondContact O-NZ 2.92Å; D907-K933 IonicContact OD1-NZ 2.74Å; N908-K933 PolarHBondContact O-N 3.22Å; K910-K933 HydrophobicContact CB-CG 4.2Å
934	N	76	Confident	81.7	Confident	159 Å²	159	56.9 Å²	56.9	85%	0.85	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	11.6	-179.7	-62.1	-14.1	0	0	0	113.3	N932	N932-N934 PolarHBondContact O-N 2.91Å; N932-N934 VanDerWaalsContact O-N 3.13Å
935	D	79.5	Confident	82	Confident	41 Å²	41	53.1 Å²	53.1	22%	0.219	26%	0.264	C	S	.	.			trans	-74.6	165.2	-176.1	-144.6	-22.8	0	0	0	112	P931 N932 G939 L978	P931-D935 HydrophobicContact CB-CB 4.33Å; N932-D935 HydrophobicContact CB-CB 4.17Å; N932-D935 WeakPolarHBondContact O-CB 3.37Å; N932-D935 PolarHBondContact O-N 3.31Å; D935-G939 WeakPolarHBondContact OD1-CA 3.36Å; D935-L978 HydrophobicContact CB-CD1 3.92Å; D935-L978 WeakPolarHBondContact O-CG 3.41Å; D935-L978 PolarHBondContact O-N 2.92Å
936	T	87.9	Confident	82.3	Confident	44 Å²	44	55.3 Å²	55.3	27%	0.27	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-102.2	170.9	176	57	0	0	0	0	110.4	K938 G939 L940 D974 I976	T936-K938 PolarHBondContact O-N 3.42Å; T936-K938 VanDerWaalsContact O-N 3.16Å; T936-K938 WeakPolarHBondContact OG1-CB 3.48Å; T936-G939 PolarHBondContact O-N 3.46Å; T936-L940 PolarHBondContact O-N 3.42Å; T936-D974 WeakPolarHBondContact CB-O 3.27Å; T936-I976 CarbonylContact C-O 3.57Å; T936-I976 WeakPolarHBondContact CA-O 3.24Å
937	V	86.3	Confident	82.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-51.4	-36.2	170.1	172.1	0	0	0	0	111	G939 L940 L941 L960 C972 K973 I976 L978 L981	V937-G939 PolarHBondContact O-N 2.81Å; V937-L940 WeakPolarHBondContact O-CB 3.47Å; V937-L940 PolarHBondContact O-N 2.91Å; V937-L941 HydrophobicContact CG1-CD1 3.96Å; V937-L941 HydrophobicContact CG1-CG 4.19Å; V937-L941 VanDerWaalsContact O-CG 3.29Å; V937-L941 WeakPolarHBondContact O-CG 3.3Å; V937-L941 PolarHBondContact O-N 3.24Å; V937-L960 HydrophobicContact CG1-CB 3.78Å; V937-L960 HydrophobicContact CG1-CD2 3.88Å; V937-L960 HydrophobicContact CG1-CG 4.49Å; V937-L960 HydrophobicContact CG2-CD2 3.9Å; V937-C972 HydrophobicContact CG2-CB 4.3Å; V937-K973 WeakPolarHBondContact CB-O 3.04Å; V937-I976 HydrophobicContact CG2-CB 4.06Å; V937-I976 PolarHBondContact N-O 3.41Å; V937-L978 HydrophobicContact CG2-CD2 4.27Å; V937-L981 HydrophobicContact CG2-CD1 3.52Å
938	K	86.2	Confident	82.4	Confident	112 Å²	112	53.9 Å²	53.9	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-55.6	-49.7	174.9	-169.3	-179.9	173.6	-173.8	0	113.2	T936 L940 L941 E942 D974	T936-K938 PolarHBondContact O-N 3.42Å; T936-K938 VanDerWaalsContact O-N 3.16Å; T936-K938 WeakPolarHBondContact OG1-CB 3.48Å; K938-L940 VanDerWaalsContact C-N 3.34Å; K938-L940 PolarHBondContact O-N 2.98Å; K938-L941 PolarHBondContact O-N 3.42Å; K938-E942 VanDerWaalsContact CE-OE1 3.25Å; K938-E942 WeakPolarHBondContact CE-OE1 3.39Å; K938-E942 WeakPolarHBondContact O-CG 3.44Å; K938-E942 PolarHBondContact O-N 2.99Å; K938-D974 HydrophobicContact CB-CB 4.18Å; K938-D974 PolarHBondContact N-O 3.46Å; K938-D974 VanDerWaalsContact N-O 3.08Å
939	G	84.1	Confident	82.2	Confident	8 Å²	8	57.4 Å²	57.4	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-33.7	-179.9	0	0	0	0	0	113.1	D935 T936 V937 E942 E943	D935-G939 WeakPolarHBondContact OD1-CA 3.36Å; T936-G939 PolarHBondContact O-N 3.46Å; V937-G939 PolarHBondContact O-N 2.81Å; G939-E942 PolarHBondContact O-N 3.13Å; G939-E943 PolarHBondContact O-N 3.48Å
940	L	87.3	Confident	82.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-44.5	170.2	177.4	74	0	0	0	111.8	F912 L929 P931 T936 V937 K938 E943 A944 L960 L978	F912-L940 HydrophobicContact CB-CD1 3.91Å; F912-L940 HydrophobicContact CD1-CD1 3.81Å; F912-L940 HydrophobicContact CD1-CD2 3.85Å; F912-L940 HydrophobicContact CE1-CD2 3.7Å; F912-L940 HydrophobicContact CE2-CD2 4.43Å; F912-L940 HydrophobicContact CG-CD1 3.85Å; F912-L940 HydrophobicContact CG-CD2 4.28Å; F912-L940 HydrophobicContact CZ-CD2 4.01Å; L929-L940 HydrophobicContact CB-CD1 3.91Å; L929-L940 HydrophobicContact CD1-CD1 3.6Å; L929-L940 HydrophobicContact CD1-CG 4.21Å; L929-L940 HydrophobicContact CG-CD1 4.39Å; P931-L940 HydrophobicContact CB-CD1 4.42Å; P931-L940 HydrophobicContact CG-CD1 3.89Å; T936-L940 PolarHBondContact O-N 3.42Å; V937-L940 WeakPolarHBondContact O-CB 3.47Å; V937-L940 PolarHBondContact O-N 2.91Å; K938-L940 VanDerWaalsContact C-N 3.34Å; K938-L940 PolarHBondContact O-N 2.98Å; L940-E943 PolarHBondContact O-N 3.2Å; L940-A944 WeakPolarHBondContact O-CB 3.44Å; L940-A944 PolarHBondContact O-N 3.08Å; L940-L960 HydrophobicContact CD2-CD1 4.22Å; L940-L960 HydrophobicContact CD2-CD2 4.06Å; L940-L978 HydrophobicContact CB-CD1 4.16Å; L940-L978 HydrophobicContact CB-CD2 3.93Å; L940-L978 HydrophobicContact CD2-CD2 3.88Å; L940-L978 HydrophobicContact CG-CD2 4.45Å
941	L	88	Confident	81.7	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-38.7	178.1	-66.7	175.1	0	0	0	111.8	V937 K938 E943 A944 A945 L958 L960 I1000	V937-L941 HydrophobicContact CG1-CD1 3.96Å; V937-L941 HydrophobicContact CG1-CG 4.19Å; V937-L941 VanDerWaalsContact O-CG 3.29Å; V937-L941 WeakPolarHBondContact O-CG 3.3Å; V937-L941 PolarHBondContact O-N 3.24Å; K938-L941 PolarHBondContact O-N 3.42Å; L941-E943 VanDerWaalsContact C-N 3.32Å; L941-E943 PolarHBondContact O-N 3.07Å; L941-A944 PolarHBondContact O-N 2.92Å; L941-A945 WeakPolarHBondContact O-CB 3.23Å; L941-A945 PolarHBondContact O-N 3.06Å; L941-L958 HydrophobicContact CB-CB 4.31Å; L941-L958 HydrophobicContact CD2-CB 3.82Å; L941-L958 HydrophobicContact CG-CB 4.44Å; L941-L960 HydrophobicContact CD2-CB 4.28Å; L941-I1000 HydrophobicContact CD2-CD1 4.23Å; L941-I1000 HydrophobicContact CD2-CG1 4.17Å; L941-I1000 HydrophobicContact CD2-CG2 3.78Å
942	E	86.6	Confident	80.9	Confident	106 Å²	106	69 Å²	69	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-64.2	-35.9	173.8	-72.8	175.3	-172.5	0	0	112.2	K938 G939	K938-E942 VanDerWaalsContact CE-OE1 3.25Å; K938-E942 WeakPolarHBondContact CE-OE1 3.39Å; K938-E942 WeakPolarHBondContact O-CG 3.44Å; K938-E942 PolarHBondContact O-N 2.99Å; G939-E942 PolarHBondContact O-N 3.13Å
943	E	84.2	Confident	80.2	Confident	29 Å²	29	72.3 Å²	72.3	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-70.7	-41.6	173.9	-161.1	-163.8	159.1	0	0	112.1	Y930 P931 G939 L940 L941 A945 K946 K947	Y930-E943 WeakPolarHBondContact CA-OE1 3.46Å; Y930-E943 VanDerWaalsContact N-CD 3.29Å; Y930-E943 PolarHBondContact N-OE1 2.93Å; Y930-E943 PolarHBondContact N-OE2 3.06Å; Y930-E943 VanDerWaalsContact N-OE2 3.1Å; P931-E943 VanDerWaalsContact CA-OE2 3.24Å; P931-E943 WeakPolarHBondContact CA-OE2 3.38Å; P931-E943 WeakPolarHBondContact CD-OE2 3.43Å; G939-E943 PolarHBondContact O-N 3.48Å; L940-E943 PolarHBondContact O-N 3.2Å; L941-E943 VanDerWaalsContact C-N 3.32Å; L941-E943 PolarHBondContact O-N 3.07Å; E943-A945 VanDerWaalsContact C-N 3.28Å; E943-A945 PolarHBondContact O-N 3.17Å; E943-K946 WeakPolarHBondContact O-CB 3.32Å; E943-K946 PolarHBondContact O-N 3.16Å; E943-K946 VanDerWaalsContact O-N 3.13Å; E943-K947 IonicContact OE1-NZ 2.69Å
944	A	85.3	Confident	80.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57.8	-43.6	173.7	0	0	0	0	0	111	L929 L940 L941 K946 K947 I948 L958 I1000	L929-A944 HydrophobicContact CD1-CB 3.69Å; L929-A944 HydrophobicContact CD2-CB 4.48Å; L940-A944 WeakPolarHBondContact O-CB 3.44Å; L940-A944 PolarHBondContact O-N 3.08Å; L941-A944 PolarHBondContact O-N 2.92Å; A944-K946 PolarHBondContact O-N 3.4Å; A944-K946 VanDerWaalsContact O-N 3.12Å; A944-K947 PolarHBondContact O-N 2.98Å; A944-I948 HydrophobicContact CB-CD1 3.98Å; A944-I948 WeakPolarHBondContact O-CD1 3.39Å; A944-I948 VanDerWaalsContact O-CG1 3.27Å; A944-I948 WeakPolarHBondContact O-CG1 3.3Å; A944-I948 PolarHBondContact O-N 3.02Å; A944-I948 VanDerWaalsContact O-N 3.13Å; A944-L958 HydrophobicContact CB-CD1 4.13Å; A944-I1000 HydrophobicContact CB-CD1 3.66Å; A944-I1000 HydrophobicContact CB-CG2 4.43Å
945	A	84.3	Confident	79.9	Confident	33 Å²	33	69.4 Å²	69.4	27%	0.273	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-23.6	178.5	0	0	0	0	0	113.7	L941 E943 F950 L958	L941-A945 WeakPolarHBondContact O-CB 3.23Å; L941-A945 PolarHBondContact O-N 3.06Å; E943-A945 VanDerWaalsContact C-N 3.28Å; E943-A945 PolarHBondContact O-N 3.17Å; A945-F950 HydrophobicContact CB-CE2 4.12Å; A945-F950 HydrophobicContact CB-CZ 3.9Å; A945-F950 WeakPolarHBondContact O-CE2 3.41Å; A945-L958 HydrophobicContact CB-CD1 4.09Å
946	K	83.4	Confident	79.9	Confident	173 Å²	173	75.9 Å²	75.9	75%	0.752	38%	0.378	S	S	*	.	H	α-helix	trans	-77.3	-24.4	174.5	-64.1	170.9	-171.8	172.4	0	113	E943 A944	E943-K946 WeakPolarHBondContact O-CB 3.32Å; E943-K946 PolarHBondContact O-N 3.16Å; E943-K946 VanDerWaalsContact O-N 3.13Å; A944-K946 PolarHBondContact O-N 3.4Å; A944-K946 VanDerWaalsContact O-N 3.12Å
947	K	79.8	Confident	79.8	Confident	94 Å²	94	78.6 Å²	78.6	41%	0.409	39%	0.386	S	S	.	.	H	α-helix	trans	-100.5	-9.7	-177.2	-60.1	-165.5	-168.4	-177.7	0	113.7	V928 L929 E943 A944	V928-K947 PolarHBondContact O-NZ 2.77Å; L929-K947 HydrophobicContact CD2-CD 3.77Å; L929-K947 HydrophobicContact CD2-CG 4.45Å; E943-K947 IonicContact OE1-NZ 2.69Å; A944-K947 PolarHBondContact O-N 2.98Å
948	I	82.1	Confident	79.9	Confident	16 Å²	16	79.2 Å²	79.2	8%	0.082	39%	0.389	C	S	.	.	S	Bend	trans	-101.4	133.5	-177.7	-64	160.6	0	0	0	109.8	W916 L927 A944 F950 L958	W916-I948 HydrophobicContact CD2-CD1 3.61Å; W916-I948 HydrophobicContact CD2-CG1 4Å; W916-I948 HydrophobicContact CD2-CG2 4.3Å; W916-I948 HydrophobicContact CE3-CD1 3.38Å; W916-I948 HydrophobicContact CE3-CG1 4.28Å; W916-I948 HydrophobicContact CG-CD1 4.24Å; W916-I948 HydrophobicContact CG-CG1 4.28Å; W916-I948 HydrophobicContact CH2-CD1 4.09Å; W916-I948 HydrophobicContact CH2-CG2 3.98Å; W916-I948 HydrophobicContact CZ2-CD1 4.33Å; W916-I948 HydrophobicContact CZ2-CG2 3.47Å; W916-I948 VanDerWaalsContact CZ2-CG2 3.47Å; W916-I948 HydrophobicContact CZ3-CD1 3.64Å; L927-I948 HydrophobicContact CD1-CD1 4.04Å; L927-I948 HydrophobicContact CD1-CG1 4.07Å; A944-I948 HydrophobicContact CB-CD1 3.98Å; A944-I948 WeakPolarHBondContact O-CD1 3.39Å; A944-I948 VanDerWaalsContact O-CG1 3.27Å; A944-I948 WeakPolarHBondContact O-CG1 3.3Å; A944-I948 PolarHBondContact O-N 3.02Å; A944-I948 VanDerWaalsContact O-N 3.13Å; I948-F950 HydrophobicContact CG2-CE1 4.42Å; I948-L958 HydrophobicContact CD1-CD1 4.07Å
949	S	75.4	Confident	80.1	Confident	118 Å²	118	74.8 Å²	74.8	83%	0.825	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-85.8	116.9	168.1	52.5	0	0	0	0	110
950	F	78.2	Confident	80.4	Confident	44 Å²	44	74.4 Å²	74.4	19%	0.193	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-86.5	145.5	178.6	-64.4	-81.1	0	0	0	111.8	A945 I948 S954 R956 L958	A945-F950 HydrophobicContact CB-CE2 4.12Å; A945-F950 HydrophobicContact CB-CZ 3.9Å; A945-F950 WeakPolarHBondContact O-CE2 3.41Å; I948-F950 HydrophobicContact CG2-CE1 4.42Å; F950-S954 VanDerWaalsContact CD1-OG 3.29Å; F950-S954 WeakPolarHBondContact CD1-OG 3.32Å; F950-R956 HydrophobicContact CB-CG 4.33Å; F950-R956 HydrophobicContact CD1-CB 4.36Å; F950-R956 HydrophobicContact CD1-CG 4.04Å; F950-R956 HydrophobicContact CD2-CG 4.06Å; F950-R956 HydrophobicContact CE1-CB 4.19Å; F950-R956 HydrophobicContact CE1-CG 4.34Å; F950-R956 HydrophobicContact CE2-CG 4.36Å; F950-R956 HydrophobicContact CG-CG 3.88Å; F950-R956 HydrophobicContact CZ-CB 4.27Å; F950-R956 HydrophobicContact CZ-CG 4.49Å; F950-L958 HydrophobicContact CE1-CD2 3.84Å; F950-L958 HydrophobicContact CE1-CG 4.47Å; F950-L958 HydrophobicContact CZ-CD1 4.42Å; F950-L958 HydrophobicContact CZ-CD2 4.31Å
951	A	71.3	Confident	80.4	Confident	72 Å²	72	74.4 Å²	74.4	60%	0.595	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-67.3	155.9	171.6	0	0	0	0	0	111.6	N953 S954	A951-N953 PolarHBondContact O-N 3.19Å; A951-N953 VanDerWaalsContact O-N 3.08Å; A951-S954 WeakPolarHBondContact O-CB 3.46Å; A951-S954 PolarHBondContact O-N 3.38Å
952	E	64	Low	80.4	Confident	201 Å²	201	75.4 Å²	75.4	94%	0.939	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.5	-176	-70.1	-176.4	160.7	0	0	114
953	N	65.4	Low	80.3	Confident	156 Å²	156	71.4 Å²	71.4	83%	0.834	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	9.7	-179.3	-56.7	-25.5	0	0	0	113.4	A951	A951-N953 PolarHBondContact O-N 3.19Å; A951-N953 VanDerWaalsContact O-N 3.08Å
954	S	69.5	Low	80.3	Confident	23 Å²	23	71.4 Å²	71.4	16%	0.161	35%	0.354	C	S	.	.			trans	-72.4	138.7	-177.5	169.5	0	0	0	0	112.1	F950 A951 R956 E1002	F950-S954 VanDerWaalsContact CD1-OG 3.29Å; F950-S954 WeakPolarHBondContact CD1-OG 3.32Å; A951-S954 WeakPolarHBondContact O-CB 3.46Å; A951-S954 PolarHBondContact O-N 3.38Å; S954-R956 VanDerWaalsContact C-N 3.33Å; S954-R956 PolarHBondContact OG-N 3.08Å; S954-E1002 WeakPolarHBondContact CA-OE1 3.28Å; S954-E1002 VanDerWaalsContact CB-OE1 3.24Å; S954-E1002 WeakPolarHBondContact CB-OE1 3.28Å; S954-E1002 PolarHBondContact OG-OE1 2.85Å; S954-E1002 PolarHBondContact OG-OE2 3.17Å
955	R	70.2	Confident	80.1	Confident	174 Å²	174	74.7 Å²	74.7	66%	0.657	37%	0.372	S	S	*	.			trans	-92.3	3.8	172.3	-63.9	-167.1	179.8	-169.6	1.2	112.8	K957 E1002 M1008	R955-K957 PolarHBondContact O-N 3.22Å; R955-E1002 PolarHBondContact N-OE1 3.07Å; R955-M1008 HydrophobicContact CB-SD 4.48Å
956	R	79.1	Confident	80.1	Confident	177 Å²	177	77.2 Å²	77.2	67%	0.668	38%	0.378	S	S	*	.			trans	55.6	20.6	172.6	-53.9	-173.7	-179.5	-165.4	-1.3	115.7	F950 S954 E1002	F950-R956 HydrophobicContact CB-CG 4.33Å; F950-R956 HydrophobicContact CD1-CB 4.36Å; F950-R956 HydrophobicContact CD1-CG 4.04Å; F950-R956 HydrophobicContact CD2-CG 4.06Å; F950-R956 HydrophobicContact CE1-CB 4.19Å; F950-R956 HydrophobicContact CE1-CG 4.34Å; F950-R956 HydrophobicContact CE2-CG 4.36Å; F950-R956 HydrophobicContact CG-CG 3.88Å; F950-R956 HydrophobicContact CZ-CB 4.27Å; F950-R956 HydrophobicContact CZ-CG 4.49Å; S954-R956 VanDerWaalsContact C-N 3.33Å; S954-R956 PolarHBondContact OG-N 3.08Å; R956-E1002 PolarHBondContact N-OE1 2.73Å
957	K	84.8	Confident	80.2	Confident	101 Å²	101	70.7 Å²	70.7	44%	0.439	35%	0.349	S	S	.	.			trans	-92.3	121.5	175	-172.2	174.3	-176.8	177.6	0	109.5	R955 V1003 M1008	R955-K957 PolarHBondContact O-N 3.22Å; K957-V1003 HydrophobicContact CG-CB 4.49Å; K957-V1003 HydrophobicContact CG-CG2 4.24Å; K957-V1003 PolarHBondContact O-N 2.83Å; K957-M1008 HydrophobicContact CD-CE 3.7Å
958	L	88.9	Confident	80.6	Confident	13 Å²	13	66.9 Å²	66.9	7%	0.068	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	159.1	179.7	-57.2	-175.7	0	0	0	111.3	W916 L941 A944 A945 I948 F950 I1000 E1001 E1002	W916-L958 HydrophobicContact CH2-CD2 3.77Å; W916-L958 HydrophobicContact CZ3-CD2 3.61Å; L941-L958 HydrophobicContact CB-CB 4.31Å; L941-L958 HydrophobicContact CD2-CB 3.82Å; L941-L958 HydrophobicContact CG-CB 4.44Å; A944-L958 HydrophobicContact CB-CD1 4.13Å; A945-L958 HydrophobicContact CB-CD1 4.09Å; I948-L958 HydrophobicContact CD1-CD1 4.07Å; F950-L958 HydrophobicContact CE1-CD2 3.84Å; F950-L958 HydrophobicContact CE1-CG 4.47Å; F950-L958 HydrophobicContact CZ-CD1 4.42Å; F950-L958 HydrophobicContact CZ-CD2 4.31Å; L958-I1000 HydrophobicContact CB-CG2 4.19Å; L958-I1000 HydrophobicContact CD1-CG2 4.04Å; L958-E1001 WeakPolarHBondContact CA-O 3.38Å; L958-E1002 HydrophobicContact CD2-CB 4.22Å
959	R	89.9	Confident	80.6	Confident	18 Å²	18	68.7 Å²	68.7	7%	0.068	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.4	168.1	63.5	176.6	170.5	-148.4	-3.9	111.2	I1000 E1001 V1003 D1007 L1035	R959-I1000 WeakPolarHBondContact O-CA 3.37Å; R959-E1001 HydrophobicContact CG-CG 3.79Å; R959-E1001 IonicContact CZ-OE1 2.66Å; R959-E1001 PolarHBondContact N-O 2.66Å; R959-E1001 IonicContact NE-OE1 3.1Å; R959-E1001 PolarHBondContact NE-OE1 3.02Å; R959-E1001 IonicContact NH2-OE1 3.3Å; R959-E1001 PolarHBondContact NH2-OE1 3.45Å; R959-E1001 PolarHBondContact O-N 3.16Å; R959-V1003 HydrophobicContact CB-CG2 3.86Å; R959-V1003 HydrophobicContact CG-CG2 3.81Å; R959-D1007 IonicContact NH1-OD2 3.37Å; R959-D1007 IonicContact NH2-OD2 3.31Å; R959-L1035 VanDerWaalsContact CZ-CD1 3.49Å
960	L	90.4	Very high	80.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127	175.2	-175.6	72	0	0	0	110.5	V937 L940 L941 C972 L981 F998 R999 I1000	V937-L960 HydrophobicContact CG1-CB 3.78Å; V937-L960 HydrophobicContact CG1-CD2 3.88Å; V937-L960 HydrophobicContact CG1-CG 4.49Å; V937-L960 HydrophobicContact CG2-CD2 3.9Å; L940-L960 HydrophobicContact CD2-CD1 4.22Å; L940-L960 HydrophobicContact CD2-CD2 4.06Å; L941-L960 HydrophobicContact CD2-CB 4.28Å; L960-C972 HydrophobicContact CB-CB 4.1Å; L960-C972 HydrophobicContact CD2-CB 3.94Å; L960-C972 HydrophobicContact CG-CB 4.18Å; L960-C972 PolarHBondContact O-N 3.13Å; L960-L981 HydrophobicContact CD2-CD1 3.68Å; L960-F998 HydrophobicContact CD1-CB 4.13Å; L960-F998 HydrophobicContact CD2-CD1 4.37Å; L960-F998 HydrophobicContact CG-CD1 4.45Å; L960-R999 CarbonylContact C-O 3.36Å; L960-I1000 HydrophobicContact CD1-CD1 4.45Å; L960-I1000 HydrophobicContact CD1-CG1 3.67Å
961	L	88.6	Confident	81.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.1	178	-60.7	178.1	0	0	0	110.7	I968 A970 V971 F998 R999 E1001 L1035	L961-I968 HydrophobicContact CD1-CD1 4.05Å; L961-I968 HydrophobicContact CD1-CG1 4.44Å; L961-I968 HydrophobicContact CD2-CG2 4.29Å; L961-A970 WeakPolarHBondContact CA-O 3.19Å; L961-V971 HydrophobicContact CD2-CB 4.1Å; L961-V971 HydrophobicContact CD2-CG1 4.04Å; L961-V971 HydrophobicContact CD2-CG2 3.64Å; L961-F998 WeakPolarHBondContact O-CA 3.22Å; L961-R999 HydrophobicContact CB-CB 4.43Å; L961-R999 PolarHBondContact N-O 2.8Å; L961-R999 PolarHBondContact O-N 2.85Å; L961-E1001 HydrophobicContact CD1-CG 4.09Å; L961-E1001 WeakPolarHBondContact CD1-OE2 3.2Å; L961-L1035 HydrophobicContact CD2-CD1 3.96Å
962	K	87.3	Confident	82	Confident	35 Å²	35	63.3 Å²	63.3	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.3	169.7	-172	171.6	-174.3	166.4	0	108.8	V969 A970 S984 F998	K962-V969 PolarHBondContact O-N 2.89Å; K962-A970 HydrophobicContact CB-CB 4.25Å; K962-A970 PolarHBondContact N-O 2.74Å; K962-A970 PolarHBondContact O-N 3.39Å; K962-S984 PolarHBondContact NZ-OG 3.34Å; K962-S984 VanDerWaalsContact NZ-OG 3.15Å; K962-F998 HydrophobicContact CB-CD1 4.44Å; K962-F998 HydrophobicContact CB-CE1 4.28Å; K962-F998 HydrophobicContact CD-CE1 4.3Å; K962-F998 HydrophobicContact CG-CE1 4.14Å
963	I	85.1	Confident	83	Confident	22 Å²	22	60.7 Å²	60.7	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.8	-178.7	-57.3	-178.1	0	0	0	109.4	K967 T997 R999 P1033	I963-K967 CarbonylContact C-O 3.5Å; I963-K967 VanDerWaalsContact CA-O 3.27Å; I963-K967 WeakPolarHBondContact CA-O 3.49Å; I963-K967 WeakPolarHBondContact CG2-O 3.37Å; I963-T997 PolarHBondContact N-O 3.29Å; I963-T997 PolarHBondContact O-N 3.08Å; I963-R999 HydrophobicContact CD1-CB 3.53Å; I963-R999 HydrophobicContact CD1-CG 4.21Å; I963-R999 HydrophobicContact CG1-CB 4.22Å; I963-P1033 HydrophobicContact CD1-CG 4.27Å; I963-P1033 HydrophobicContact CG2-CG 4.31Å
964	S	83.3	Confident	83.9	Confident	29 Å²	29	56.9 Å²	56.9	20%	0.203	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.9	171	-170.7	0	0	0	0	109.1	H966 K967	S964-H966 VanDerWaalsContact C-N 3.34Å; S964-H966 PolarHBondContact O-N 2.95Å; S964-K967 PolarHBondContact N-O 3.39Å; S964-K967 WeakPolarHBondContact O-CB 3.43Å; S964-K967 PolarHBondContact O-N 3.22Å
965	N	81.5	Confident	84.6	Confident	70 Å²	70	61.4 Å²	61.4	37%	0.374	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	51.9	-177.8	-164.3	25.3	0	0	0	113.6	K967 Y1027 S1029	N965-K967 PolarHBondContact O-N 3.27Å; N965-K967 VanDerWaalsContact O-N 3.14Å; N965-Y1027 PolarHBondContact ND2-O 3.48Å; N965-S1029 WeakPolarHBondContact O-CB 3.32Å
966	H	84.9	Confident	85.3	Confident	86 Å²	86	55.4 Å²	55.4	40%	0.398	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	23	-177	-58.2	-84.5	0	0	0	115.6	S964 S1029 G1031 P1033	S964-H966 VanDerWaalsContact C-N 3.34Å; S964-H966 PolarHBondContact O-N 2.95Å; H966-S1029 PolarHBondContact CD2-O 3.23Å; H966-G1031 PolarHBondContact ND1-O 2.95Å; H966-P1033 VanDerWaalsContact O-CB 3.3Å; H966-P1033 WeakPolarHBondContact O-CB 3.5Å; H966-P1033 VanDerWaalsContact O-CG 3.24Å; H966-P1033 WeakPolarHBondContact O-CG 3.33Å
967	K	85.6	Confident	85.6	Confident	35 Å²	35	50 Å²	50	15%	0.152	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.9	176.8	-61.8	171.3	-170	178.8	0	111.5	I963 S964 N965 V969 A1020 L1026 S1029 F1099	I963-K967 CarbonylContact C-O 3.5Å; I963-K967 VanDerWaalsContact CA-O 3.27Å; I963-K967 WeakPolarHBondContact CA-O 3.49Å; I963-K967 WeakPolarHBondContact CG2-O 3.37Å; S964-K967 PolarHBondContact N-O 3.39Å; S964-K967 WeakPolarHBondContact O-CB 3.43Å; S964-K967 PolarHBondContact O-N 3.22Å; N965-K967 PolarHBondContact O-N 3.27Å; N965-K967 VanDerWaalsContact O-N 3.14Å; K967-V969 PolarHBondContact O-N 3.04Å; K967-A1020 HydrophobicContact CG-CB 4Å; K967-L1026 PolarHBondContact NZ-O 3.39Å; K967-S1029 WeakPolarHBondContact CE-OG 3.4Å; K967-S1029 PolarHBondContact NZ-OG 3.44Å; K967-F1099 HydrophobicContact CD-CD1 4.49Å; K967-F1099 HydrophobicContact CD-CE1 3.8Å; K967-F1099 HydrophobicContact CD-CZ 3.87Å; K967-F1099 HydrophobicContact CG-CZ 4.47Å
968	I	87.3	Confident	85.4	Confident	15 Å²	15	45.5 Å²	45.5	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.3	174.3	-64.6	167.7	0	0	0	108.7	L961 P1018 P1033 L1035	L961-I968 HydrophobicContact CD1-CD1 4.05Å; L961-I968 HydrophobicContact CD1-CG1 4.44Å; L961-I968 HydrophobicContact CD2-CG2 4.29Å; I968-P1018 HydrophobicContact CB-CB 4.23Å; I968-P1033 HydrophobicContact CD1-CB 4.27Å; I968-P1033 HydrophobicContact CG1-CB 3.99Å; I968-P1033 HydrophobicContact CG1-CG 4.04Å; I968-L1035 HydrophobicContact CD1-CD2 4.33Å; I968-L1035 HydrophobicContact CD1-CG 3.95Å
969	V	81.6	Confident	84.8	Confident	53 Å²	53	48 Å²	48	32%	0.321	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-28.6	-178.5	-177.8	0	0	0	0	111.8	K962 K967 L1097	K962-V969 PolarHBondContact O-N 2.89Å; K967-V969 PolarHBondContact O-N 3.04Å; V969-L1097 WeakPolarHBondContact O-CD1 3.41Å
970	A	82.3	Confident	84.1	Confident	35 Å²	35	51 Å²	51	29%	0.289	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	150.2	176.1	0	0	0	0	0	111.6	L961 K962	L961-A970 WeakPolarHBondContact CA-O 3.19Å; K962-A970 HydrophobicContact CB-CB 4.25Å; K962-A970 PolarHBondContact N-O 2.74Å; K962-A970 PolarHBondContact O-N 3.39Å
971	V	86	Confident	83.3	Confident	77 Å²	77	51.6 Å²	51.6	47%	0.467	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.5	160.6	-171.2	0	0	0	0	107.2	L961 L1035	L961-V971 HydrophobicContact CD2-CB 4.1Å; L961-V971 HydrophobicContact CD2-CG1 4.04Å; L961-V971 HydrophobicContact CD2-CG2 3.64Å; V971-L1035 HydrophobicContact CG2-CD1 3.91Å
972	C	85.4	Confident	82.2	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.6	-179.5	-59.2	0	0	0	0	109.1	V937 L960 I976	V937-C972 HydrophobicContact CG2-CB 4.3Å; L960-C972 HydrophobicContact CB-CB 4.1Å; L960-C972 HydrophobicContact CD2-CB 3.94Å; L960-C972 HydrophobicContact CG-CB 4.18Å; L960-C972 PolarHBondContact O-N 3.13Å; C972-I976 HydrophobicContact CB-CD1 4.43Å
973	K	85	Confident	80.9	Confident	146 Å²	146	57.4 Å²	57.4	64%	0.635	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-77.1	150.8	175.9	-59.3	-177.8	179.1	179.4	0	110.9	V937 D975 I976	V937-K973 WeakPolarHBondContact CB-O 3.04Å; K973-D975 WeakPolarHBondContact CB-OD1 3.22Å; K973-D975 PolarHBondContact O-N 3.15Å; K973-I976 HydrophobicContact CB-CD1 4.14Å; K973-I976 HydrophobicContact CB-CG1 4.18Å; K973-I976 WeakPolarHBondContact O-CB 3.41Å; K973-I976 WeakPolarHBondContact O-CG1 3.42Å; K973-I976 PolarHBondContact O-N 2.97Å
974	D	85.4	Confident	79.3	Confident	76 Å²	76	58.2 Å²	58.2	41%	0.406	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.6	-174.6	-66.1	3.3	0	0	0	113.5	T936 K938 I976	T936-D974 WeakPolarHBondContact CB-O 3.27Å; K938-D974 HydrophobicContact CB-CB 4.18Å; K938-D974 PolarHBondContact N-O 3.46Å; K938-D974 VanDerWaalsContact N-O 3.08Å; D974-I976 VanDerWaalsContact C-N 3.33Å
975	D	85	Confident	77.7	Confident	118 Å²	118	60.1 Å²	60.1	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.8	-176.9	61.1	-36.1	0	0	0	114	K973 P977	K973-D975 WeakPolarHBondContact CB-OD1 3.22Å; K973-D975 PolarHBondContact O-N 3.15Å; D975-P977 WeakPolarHBondContact O-CD 3.3Å
976	I	84.7	Confident	75.8	Confident	48 Å²	48	64.8 Å²	64.8	25%	0.246	34%	0.342	C	S	.	.	S	Bend	trans	-71.2	126.8	-179.3	-61.8	175.3	0	0	0	109.8	T936 V937 C972 K973 D974 L981	T936-I976 CarbonylContact C-O 3.57Å; T936-I976 WeakPolarHBondContact CA-O 3.24Å; V937-I976 HydrophobicContact CG2-CB 4.06Å; V937-I976 PolarHBondContact N-O 3.41Å; C972-I976 HydrophobicContact CB-CD1 4.43Å; K973-I976 HydrophobicContact CB-CD1 4.14Å; K973-I976 HydrophobicContact CB-CG1 4.18Å; K973-I976 WeakPolarHBondContact O-CB 3.41Å; K973-I976 WeakPolarHBondContact O-CG1 3.42Å; K973-I976 PolarHBondContact O-N 2.97Å; D974-I976 VanDerWaalsContact C-N 3.33Å; I976-L981 HydrophobicContact CG2-CD2 4.03Å; I976-L981 HydrophobicContact CG2-CG 4.02Å
977	P	83.9	Confident	73.5	Confident	65 Å²	65	64.1 Å²	64.1	42%	0.422	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-65.4	136.4	172.7	-20.1	32.2	0	0	0	111.6	D975 D979 T980	D975-P977 WeakPolarHBondContact O-CD 3.3Å; P977-D979 PolarHBondContact O-N 2.92Å; P977-T980 WeakPolarHBondContact O-CB 3.46Å; P977-T980 PolarHBondContact O-N 3.13Å; P977-T980 PolarHBondContact O-OG1 3.06Å
978	L	81.1	Confident	71	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-30.1	-178	-67.8	179	0	0	0	113.3	F912 P931 D935 V937 L940 T980 L981 L982	F912-L978 HydrophobicContact CE2-CD2 4.47Å; P931-L978 HydrophobicContact CB-CD1 3.6Å; P931-L978 HydrophobicContact CG-CD1 3.51Å; D935-L978 HydrophobicContact CB-CD1 3.92Å; D935-L978 WeakPolarHBondContact O-CG 3.41Å; D935-L978 PolarHBondContact O-N 2.92Å; V937-L978 HydrophobicContact CG2-CD2 4.27Å; L940-L978 HydrophobicContact CB-CD1 4.16Å; L940-L978 HydrophobicContact CB-CD2 3.93Å; L940-L978 HydrophobicContact CD2-CD2 3.88Å; L940-L978 HydrophobicContact CG-CD2 4.45Å; L978-T980 VanDerWaalsContact C-N 3.25Å; L978-T980 PolarHBondContact O-N 3.49Å; L978-L981 HydrophobicContact CD2-CD1 4.26Å; L978-L981 WeakPolarHBondContact O-CB 3.26Å; L978-L981 PolarHBondContact O-N 3.35Å; L978-L981 VanDerWaalsContact O-N 3.14Å; L978-L982 WeakPolarHBondContact O-CG 3.37Å; L978-L982 PolarHBondContact O-N 3.04Å; L978-L982 VanDerWaalsContact O-N 3.14Å
979	D	75.8	Confident	68.4	Low	65 Å²	65	74.6 Å²	74.6	35%	0.348	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-32.9	177.2	-164.6	44.3	0	0	0	112.4	P977 L982 K983	P977-D979 PolarHBondContact O-N 2.92Å; D979-L982 PolarHBondContact O-N 3.23Å; D979-K983 WeakPolarHBondContact O-CB 3.24Å; D979-K983 WeakPolarHBondContact O-CG 3.23Å; D979-K983 PolarHBondContact O-N 2.71Å; D979-K983 WeakPolarHBondContact OD2-CE 3.47Å; D979-K983 IonicContact OD2-NZ 3.11Å; D979-K983 PolarHBondContact OD2-NZ 2.93Å
980	T	77	Confident	66.1	Low	82 Å²	82	76.9 Å²	76.9	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-37.1	175.7	-45.4	0	0	0	0	111.5	P977 L978 S984	P977-T980 WeakPolarHBondContact O-CB 3.46Å; P977-T980 PolarHBondContact O-N 3.13Å; P977-T980 PolarHBondContact O-OG1 3.06Å; L978-T980 VanDerWaalsContact C-N 3.25Å; L978-T980 PolarHBondContact O-N 3.49Å; T980-S984 PolarHBondContact O-N 3.34Å
981	L	73.4	Confident	64	Low	13 Å²	13	80.5 Å²	80.5	7%	0.068	45%	0.454	C	S	.	.	H	α-helix	trans	-69.5	-39.1	178	-64.9	-178.8	0	0	0	111.5	V937 L960 I976 L978 S984 F998	V937-L981 HydrophobicContact CG2-CD1 3.52Å; L960-L981 HydrophobicContact CD2-CD1 3.68Å; I976-L981 HydrophobicContact CG2-CD2 4.03Å; I976-L981 HydrophobicContact CG2-CG 4.02Å; L978-L981 HydrophobicContact CD2-CD1 4.26Å; L978-L981 WeakPolarHBondContact O-CB 3.26Å; L978-L981 PolarHBondContact O-N 3.35Å; L978-L981 VanDerWaalsContact O-N 3.14Å; L981-S984 PolarHBondContact O-N 2.77Å; L981-S984 PolarHBondContact O-OG 2.78Å; L981-F998 HydrophobicContact CB-CE1 4.4Å; L981-F998 HydrophobicContact CB-CZ 3.96Å; L981-F998 HydrophobicContact CD1-CE1 4.45Å; L981-F998 HydrophobicContact CD2-CE1 4.26Å; L981-F998 HydrophobicContact CD2-CZ 4.5Å
982	L	65.3	Low	61.6	Low	35 Å²	35	84.8 Å²	84.8	18%	0.183	47%	0.469	C	S	.	.	H	α-helix	trans	-75.1	-38.4	-177.6	-66.7	166	0	0	0	112.7	K910 F912 L978 D979 S984 N985	K910-L982 HydrophobicContact CD-CD1 3.58Å; K910-L982 HydrophobicContact CG-CD1 4.43Å; F912-L982 HydrophobicContact CD2-CD1 4.33Å; F912-L982 HydrophobicContact CD2-CD2 3.96Å; F912-L982 HydrophobicContact CD2-CG 4.35Å; F912-L982 HydrophobicContact CE2-CD2 3.89Å; F912-L982 HydrophobicContact CE2-CG 4.18Å; L978-L982 WeakPolarHBondContact O-CG 3.37Å; L978-L982 PolarHBondContact O-N 3.04Å; L978-L982 VanDerWaalsContact O-N 3.14Å; D979-L982 PolarHBondContact O-N 3.23Å; L982-S984 PolarHBondContact O-N 3.12Å; L982-N985 PolarHBondContact O-N 2.69Å; L982-N985 VanDerWaalsContact O-N 3.13Å
983	K	59.3	Low	59.4	Low	122 Å²	122	88.6 Å²	88.6	53%	0.53	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-29.1	172.7	-75.3	169.6	173.9	164.2	0	113.3	D979 N985 E986	D979-K983 WeakPolarHBondContact O-CB 3.24Å; D979-K983 WeakPolarHBondContact O-CG 3.23Å; D979-K983 PolarHBondContact O-N 2.71Å; D979-K983 WeakPolarHBondContact OD2-CE 3.47Å; D979-K983 IonicContact OD2-NZ 3.11Å; D979-K983 PolarHBondContact OD2-NZ 2.93Å; K983-N985 PolarHBondContact O-N 2.89Å; K983-E986 PolarHBondContact O-N 3.3Å
984	S	52.1	Low	57.6	Low	38 Å²	38	84.2 Å²	84.2	27%	0.266	50%	0.501	S	S	.	.	H	α-helix	trans	-74.7	-7	176.6	83.2	0	0	0	0	114.8	K962 T980 L981 L982	K962-S984 PolarHBondContact NZ-OG 3.34Å; K962-S984 VanDerWaalsContact NZ-OG 3.15Å; T980-S984 PolarHBondContact O-N 3.34Å; L981-S984 PolarHBondContact O-N 2.77Å; L981-S984 PolarHBondContact O-OG 2.78Å; L982-S984 PolarHBondContact O-N 3.12Å
985	N	49.3	Very low	56.3	Low	69 Å²	69	88.6 Å²	88.6	37%	0.369	52%	0.519	S	S	.	.	H	α-helix	trans	-99.7	-18.3	174.7	-89.2	3.4	0	0	0	113.2	L982 K983	L982-N985 PolarHBondContact O-N 2.69Å; L982-N985 VanDerWaalsContact O-N 3.13Å; K983-N985 PolarHBondContact O-N 2.89Å
986	E	42.3	Very low	55.4	Low	168 Å²	168	86.4 Å²	86.4	79%	0.785	50%	0.503	S	S	*	.	H	α-helix	trans	-88.5	-11.2	-176.7	-74.2	-177.7	173.2	0	0	114.1	K983	K983-E986 PolarHBondContact O-N 3.3Å
987	S	34.9	Very low	55.2	Low	73 Å²	73	86.8 Å²	86.8	51%	0.51	51%	0.508	S	S	.	.	S	Bend	trans	-119.6	130.1	176.2	44.6	0	0	0	0	110.5
988	I	33.6	Very low	55.4	Low	122 Å²	122	84 Å²	84	63%	0.626	49%	0.489	S	S	*	.			trans	96.6	70.4	-178	-47.3	159.9	0	0	0	113.6	T990	I988-T990 HydrophobicContact CG2-CG2 3.46Å; I988-T990 VanDerWaalsContact CG2-CG2 3.46Å; I988-T990 WeakPolarHBondContact CG2-OG1 3.33Å; I988-T990 PolarHBondContact O-N 2.8Å
989	T	33.7	Very low	55.9	Low	148 Å²	148	84 Å²	84	91%	0.908	49%	0.489	S	S	*	.			trans	-74.7	79.7	134.4	49	0	0	0	0	107.7
990	T	33.3	Very low	56.6	Low	100 Å²	100	80.9 Å²	80.9	61%	0.613	47%	0.472	S	S	*	.			trans	-73.5	152	156	35.4	0	0	0	0	108.4	I988 Q992	I988-T990 HydrophobicContact CG2-CG2 3.46Å; I988-T990 VanDerWaalsContact CG2-CG2 3.46Å; I988-T990 WeakPolarHBondContact CG2-OG1 3.33Å; I988-T990 PolarHBondContact O-N 2.8Å; T990-Q992 PolarHBondContact O-N 3.13Å
991	A	37	Very low	57.1	Low	112 Å²	112	77.3 Å²	77.3	93%	0.926	45%	0.45	S	S	*	.	S	Bend	trans	-59.8	22.8	-174.5	0	0	0	0	0	117
992	Q	36.5	Very low	57.8	Low	167 Å²	167	77.9 Å²	77.9	78%	0.78	45%	0.452	S	S	*	.	S	Bend	trans	-136.3	114.8	173.3	-68.2	-176.4	-13.6	0	0	108.4	T990 A994	T990-Q992 PolarHBondContact O-N 3.13Å; Q992-A994 VanDerWaalsContact C-N 3.28Å; Q992-A994 PolarHBondContact O-N 2.93Å
993	G	39.2	Very low	58.7	Low	89 Å²	89	76.9 Å²	76.9	92%	0.918	45%	0.447	S	S	*	.			trans	-69.4	56.9	-169.1	0	0	0	0	0	117	Q995	G993-Q995 PolarHBondContact O-N 2.97Å
994	A	46.8	Very low	59.8	Low	54 Å²	54	72.1 Å²	72.1	45%	0.446	43%	0.429	S	S	.	.			trans	-86.4	99.5	173.2	0	0	0	0	0	111.4	Q992 K996	Q992-A994 VanDerWaalsContact C-N 3.28Å; Q992-A994 PolarHBondContact O-N 2.93Å; A994-K996 PolarHBondContact O-N 3.12Å
995	Q	57.7	Low	60.7	Low	168 Å²	168	73.1 Å²	73.1	79%	0.785	44%	0.44	S	S	*	.			trans	-62.8	127.8	170.1	-66.5	-136.1	-17.9	0	0	110.5	G993	G993-Q995 PolarHBondContact O-N 2.97Å
996	K	66.3	Low	61.7	Low	71 Å²	71	75.7 Å²	75.7	31%	0.309	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.6	171.1	-68.3	170.8	-177.1	162	0	108.2	A994	A994-K996 PolarHBondContact O-N 3.12Å
997	T	81.2	Confident	63.2	Low	56 Å²	56	68.1 Å²	68.1	34%	0.344	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.9	-178	-54.8	0	0	0	0	110.3	V915 I963	V915-T997 HydrophobicContact CG2-CG2 3.89Å; I963-T997 PolarHBondContact N-O 3.29Å; I963-T997 PolarHBondContact O-N 3.08Å
998	F	88.6	Confident	64.8	Low	8 Å²	8	68 Å²	68	4%	0.035	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.7	172.6	-69	-74.1	0	0	0	110.5	F912 C914 V915 L960 L961 K962 L981	F912-F998 HydrophobicContact CE1-CB 3.91Å; F912-F998 HydrophobicContact CE1-CD2 4.05Å; F912-F998 HydrophobicContact CE1-CG 4.09Å; F912-F998 HydrophobicContact CE2-CD2 4.47Å; F912-F998 HydrophobicContact CZ-CB 4.15Å; F912-F998 HydrophobicContact CZ-CD1 4.42Å; F912-F998 AromaticContact CZ-CD2 3.57Å; F912-F998 HydrophobicContact CZ-CD2 3.57Å; F912-F998 HydrophobicContact CZ-CE2 4.02Å; F912-F998 AromaticContact CZ-CG 3.79Å; F912-F998 HydrophobicContact CZ-CG 3.79Å; C914-F998 CarbonylContact C-O 3.47Å; C914-F998 VanDerWaalsContact CA-O 3.29Å; C914-F998 WeakPolarHBondContact CA-O 3.46Å; C914-F998 HydrophobicContact CB-CB 4.13Å; C914-F998 VanDerWaalsContact CB-O 3.28Å; C914-F998 WeakPolarHBondContact CB-O 3.43Å; V915-F998 PolarHBondContact N-O 2.89Å; L960-F998 HydrophobicContact CD1-CB 4.13Å; L960-F998 HydrophobicContact CD2-CD1 4.37Å; L960-F998 HydrophobicContact CG-CD1 4.45Å; L961-F998 WeakPolarHBondContact O-CA 3.22Å; K962-F998 HydrophobicContact CB-CD1 4.44Å; K962-F998 HydrophobicContact CB-CE1 4.28Å; K962-F998 HydrophobicContact CD-CE1 4.3Å; K962-F998 HydrophobicContact CG-CE1 4.14Å; L981-F998 HydrophobicContact CB-CE1 4.4Å; L981-F998 HydrophobicContact CB-CZ 3.96Å; L981-F998 HydrophobicContact CD1-CE1 4.45Å; L981-F998 HydrophobicContact CD2-CE1 4.26Å; L981-F998 HydrophobicContact CD2-CZ 4.5Å
999	R	89.8	Confident	66.6	Low	4 Å²	4	70.5 Å²	70.5	2%	0.015	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.4	177.9	-177.1	178.4	77.9	-164.5	5.7	111.4	V915 V917 L960 L961 I963 E1001 P1033	V915-R999 CarbonylContact O-C 3.52Å; V915-R999 VanDerWaalsContact O-CA 3.22Å; V915-R999 WeakPolarHBondContact O-CA 3.3Å; V915-R999 WeakPolarHBondContact O-CG 3.42Å; V917-R999 HydrophobicContact CB-CG 4.45Å; V917-R999 VanDerWaalsContact CG2-CD 3.44Å; V917-R999 HydrophobicContact CG2-CG 3.99Å; L960-R999 CarbonylContact C-O 3.36Å; L961-R999 HydrophobicContact CB-CB 4.43Å; L961-R999 PolarHBondContact N-O 2.8Å; L961-R999 PolarHBondContact O-N 2.85Å; I963-R999 HydrophobicContact CD1-CB 3.53Å; I963-R999 HydrophobicContact CD1-CG 4.21Å; I963-R999 HydrophobicContact CG1-CB 4.22Å; R999-E1001 IonicContact CZ-OE2 2.8Å; R999-E1001 IonicContact NE-OE2 3.21Å; R999-E1001 PolarHBondContact NE-OE2 2.86Å; R999-E1001 IonicContact NH2-OE2 2.79Å; R999-E1001 PolarHBondContact NH2-OE2 2.95Å; R999-P1033 PolarHBondContact NH1-O 3.04Å; R999-P1033 PolarHBondContact NH2-O 3.27Å
1000	I	90.4	Very high	68.7	Low	0 Å²	0	67 Å²	67	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.3	169.5	-58.7	177.7	0	0	0	108	C914 V915 W916 V917 L929 L941 A944 L958 R959 L960	C914-I1000 VanDerWaalsContact SG-CD1 3.57Å; V915-I1000 PolarHBondContact O-N 2.72Å; W916-I1000 WeakPolarHBondContact CA-O 3.14Å; W916-I1000 HydrophobicContact CE3-CB 4.17Å; W916-I1000 HydrophobicContact CE3-CG2 3.85Å; W916-I1000 HydrophobicContact CZ3-CG2 3.96Å; V917-I1000 PolarHBondContact N-O 3.39Å; L929-I1000 HydrophobicContact CD1-CD1 3.78Å; L941-I1000 HydrophobicContact CD2-CD1 4.23Å; L941-I1000 HydrophobicContact CD2-CG1 4.17Å; L941-I1000 HydrophobicContact CD2-CG2 3.78Å; A944-I1000 HydrophobicContact CB-CD1 3.66Å; A944-I1000 HydrophobicContact CB-CG2 4.43Å; L958-I1000 HydrophobicContact CB-CG2 4.19Å; L958-I1000 HydrophobicContact CD1-CG2 4.04Å; R959-I1000 WeakPolarHBondContact O-CA 3.37Å; L960-I1000 HydrophobicContact CD1-CD1 4.45Å; L960-I1000 HydrophobicContact CD1-CG1 3.67Å
1001	E	88.7	Confident	70.9	Confident	7 Å²	7	64.4 Å²	64.4	3%	0.033	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.1	173.9	64.8	-176.9	-144	0	0	111	L958 R959 L961 R999	L958-E1001 WeakPolarHBondContact CA-O 3.38Å; R959-E1001 HydrophobicContact CG-CG 3.79Å; R959-E1001 IonicContact CZ-OE1 2.66Å; R959-E1001 PolarHBondContact N-O 2.66Å; R959-E1001 IonicContact NE-OE1 3.1Å; R959-E1001 PolarHBondContact NE-OE1 3.02Å; R959-E1001 IonicContact NH2-OE1 3.3Å; R959-E1001 PolarHBondContact NH2-OE1 3.45Å; R959-E1001 PolarHBondContact O-N 3.16Å; L961-E1001 HydrophobicContact CD1-CG 4.09Å; L961-E1001 WeakPolarHBondContact CD1-OE2 3.2Å; R999-E1001 IonicContact CZ-OE2 2.8Å; R999-E1001 IonicContact NE-OE2 3.21Å; R999-E1001 PolarHBondContact NE-OE2 2.86Å; R999-E1001 IonicContact NH2-OE2 2.79Å; R999-E1001 PolarHBondContact NH2-OE2 2.95Å
1002	E	87.4	Confident	72.8	Confident	25 Å²	25	68.4 Å²	68.4	12%	0.117	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.5	170.2	-169.3	172.5	176.5	0	0	110.4	W916 S954 R955 R956 L958 P1004	W916-E1002 HydrophobicContact CH2-CB 3.98Å; S954-E1002 WeakPolarHBondContact CA-OE1 3.28Å; S954-E1002 VanDerWaalsContact CB-OE1 3.24Å; S954-E1002 WeakPolarHBondContact CB-OE1 3.28Å; S954-E1002 PolarHBondContact OG-OE1 2.85Å; S954-E1002 PolarHBondContact OG-OE2 3.17Å; R955-E1002 PolarHBondContact N-OE1 3.07Å; R956-E1002 PolarHBondContact N-OE1 2.73Å; L958-E1002 HydrophobicContact CD2-CB 4.22Å; E1002-P1004 VanDerWaalsContact O-CD 3.27Å; E1002-P1004 WeakPolarHBondContact O-CD 3.44Å
1003	V	85.3	Confident	75	Confident	13 Å²	13	63.3 Å²	63.3	8%	0.079	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-75.4	116.8	173.9	-176.6	0	0	0	0	108.7	K957 R959 D1007 M1008	K957-V1003 HydrophobicContact CG-CB 4.49Å; K957-V1003 HydrophobicContact CG-CG2 4.24Å; K957-V1003 PolarHBondContact O-N 2.83Å; R959-V1003 HydrophobicContact CB-CG2 3.86Å; R959-V1003 HydrophobicContact CG-CG2 3.81Å; V1003-D1007 HydrophobicContact CG1-CB 4.15Å; V1003-M1008 HydrophobicContact CG1-CG 3.93Å
1004	P	80.8	Confident	77.2	Confident	22 Å²	22	60.9 Å²	60.9	14%	0.143	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-59.4	147.4	177	-22.2	33.3	0	0	0	111.7	E1002 E1006 D1007	E1002-P1004 VanDerWaalsContact O-CD 3.27Å; E1002-P1004 WeakPolarHBondContact O-CD 3.44Å; P1004-E1006 PolarHBondContact O-N 2.73Å; P1004-E1006 VanDerWaalsContact O-N 3.11Å; P1004-D1007 HydrophobicContact CB-CB 4.47Å; P1004-D1007 WeakPolarHBondContact CD-OD2 3.34Å; P1004-D1007 WeakPolarHBondContact CG-OD2 3.14Å; P1004-D1007 PolarHBondContact O-N 2.95Å
1005	A	72.1	Confident	79	Confident	60 Å²	60	61.2 Å²	61.2	50%	0.496	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-57.6	-29.7	-179.9	0	0	0	0	0	113	D1007	A1005-D1007 VanDerWaalsContact C-N 3.3Å; A1005-D1007 PolarHBondContact O-N 3.35Å
1006	E	70.1	Confident	80.4	Confident	123 Å²	123	54.7 Å²	54.7	58%	0.575	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.2	-19.8	178.6	-58.3	-175.3	-172.4	0	0	114.1	P1004 K1037	P1004-E1006 PolarHBondContact O-N 2.73Å; P1004-E1006 VanDerWaalsContact O-N 3.11Å; E1006-K1037 WeakPolarHBondContact O-CE 3.24Å; E1006-K1037 PolarHBondContact O-NZ 3.25Å
1007	D	74.1	Confident	81.5	Confident	9 Å²	9	51.3 Å²	51.3	5%	0.048	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-99.4	-3.4	-174.3	-67.1	-8.1	0	0	0	112.4	R959 V1003 P1004 A1005 L1016 R1054	R959-D1007 IonicContact NH1-OD2 3.37Å; R959-D1007 IonicContact NH2-OD2 3.31Å; V1003-D1007 HydrophobicContact CG1-CB 4.15Å; P1004-D1007 HydrophobicContact CB-CB 4.47Å; P1004-D1007 WeakPolarHBondContact CD-OD2 3.34Å; P1004-D1007 WeakPolarHBondContact CG-OD2 3.14Å; P1004-D1007 PolarHBondContact O-N 2.95Å; A1005-D1007 VanDerWaalsContact C-N 3.3Å; A1005-D1007 PolarHBondContact O-N 3.35Å; D1007-L1016 HydrophobicContact CB-CD1 4.37Å; D1007-L1016 HydrophobicContact CB-CD2 3.93Å; D1007-R1054 IonicContact OD2-NH1 3.59Å
1008	M	68.6	Low	81.9	Confident	71 Å²	71	49 Å²	49	35%	0.35	26%	0.256	S	S	.	.	S	Bend	trans	-81.2	-30.9	-173	-73.1	-168.8	68.4	0	0	115	R955 K957 V1003	R955-M1008 HydrophobicContact CB-SD 4.48Å; K957-M1008 HydrophobicContact CD-CE 3.7Å; V1003-M1008 HydrophobicContact CG1-CG 3.93Å
1009	Q	71.6	Confident	82	Confident	173 Å²	173	48.7 Å²	48.7	81%	0.808	25%	0.254	S	S	*	.	S	Bend	trans	-125.4	107.3	178.9	-71.1	-177.4	-6.5	0	0	108.2
1010	L	77.7	Confident	82	Confident	74 Å²	74	48.6 Å²	48.6	39%	0.387	25%	0.254	S	S	.	.			trans	-98.8	129.8	175.9	-60.5	170.5	0	0	0	108.2	E1014 L1016 K1037	L1010-E1014 HydrophobicContact CB-CB 4.33Å; L1010-E1014 HydrophobicContact CD2-CB 4.26Å; L1010-L1016 HydrophobicContact CD1-CD1 4.32Å; L1010-L1016 HydrophobicContact CD1-CG 3.99Å; L1010-L1016 HydrophobicContact CD2-CD2 4.23Å; L1010-L1016 HydrophobicContact CD2-CG 4.18Å; L1010-K1037 HydrophobicContact CD2-CD 3.6Å; L1010-K1037 HydrophobicContact CD2-CG 3.89Å
1011	A	79.9	Confident	82	Confident	47 Å²	47	49.2 Å²	49.2	39%	0.388	26%	0.257	S	S	.	.			trans	-70.4	163.3	167.2	0	0	0	0	0	110.9	N1013 E1014	A1011-N1013 VanDerWaalsContact CB-OD1 3.29Å; A1011-N1013 WeakPolarHBondContact CB-OD1 3.02Å; A1011-N1013 PolarHBondContact O-N 3.38Å; A1011-E1014 HydrophobicContact CB-CG 4.1Å; A1011-E1014 PolarHBondContact N-OE2 3.39Å; A1011-E1014 PolarHBondContact O-N 3Å
1012	E	75.1	Confident	82	Confident	195 Å²	195	49.3 Å²	49.3	91%	0.911	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.3	-178.8	-69.6	-175.6	165.7	0	0	113.6
1013	N	83.2	Confident	81.9	Confident	60 Å²	60	49 Å²	49	32%	0.321	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.3	176.9	63.7	-16.2	0	0	0	114.2	A1011 R1039 Q1040 L1086	A1011-N1013 VanDerWaalsContact CB-OD1 3.29Å; A1011-N1013 WeakPolarHBondContact CB-OD1 3.02Å; A1011-N1013 PolarHBondContact O-N 3.38Å; N1013-R1039 PolarHBondContact ND2-NE 2.88Å; N1013-R1039 VanDerWaalsContact ND2-NE 3.14Å; N1013-R1039 PolarHBondContact ND2-NH2 2.89Å; N1013-R1039 WeakPolarHBondContact O-CA 3.44Å; N1013-Q1040 HydrophobicContact CB-CB 4.39Å; N1013-Q1040 PolarHBondContact O-N 3.07Å; N1013-L1086 WeakPolarHBondContact O-CD1 3.41Å
1014	E	85.1	Confident	81.6	Confident	39 Å²	39	55.5 Å²	55.5	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.8	177.9	-64.9	-178.9	148.9	0	0	111.4	L1010 A1011 K1037 A1038 R1039	L1010-E1014 HydrophobicContact CB-CB 4.33Å; L1010-E1014 HydrophobicContact CD2-CB 4.26Å; A1011-E1014 HydrophobicContact CB-CG 4.1Å; A1011-E1014 PolarHBondContact N-OE2 3.39Å; A1011-E1014 PolarHBondContact O-N 3Å; E1014-K1037 HydrophobicContact CB-CD 4.47Å; E1014-K1037 HydrophobicContact CB-CG 4.43Å; E1014-K1037 IonicContact OE1-NZ 3.61Å; E1014-K1037 IonicContact OE2-NZ 2.83Å; E1014-A1038 CarbonylContact C-O 3.53Å; E1014-A1038 VanDerWaalsContact CA-O 3.31Å; E1014-A1038 WeakPolarHBondContact CA-O 3.46Å; E1014-R1039 HydrophobicContact CG-CB 4.21Å; E1014-R1039 HydrophobicContact CG-CG 4.18Å
1015	F	85.5	Confident	81.5	Confident	60 Å²	60	59.6 Å²	59.6	26%	0.263	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	149.7	178.9	-171.1	-107.5	0	0	0	111.1	I1017 A1038 L1086 R1090	F1015-I1017 HydrophobicContact CD1-CG2 3.94Å; F1015-A1038 PolarHBondContact N-O 3.21Å; F1015-A1038 PolarHBondContact O-N 3.13Å; F1015-L1086 HydrophobicContact CB-CD1 3.9Å; F1015-L1086 HydrophobicContact CB-CD2 4.01Å; F1015-L1086 HydrophobicContact CB-CG 4.41Å; F1015-R1090 HydrophobicContact CE2-CG 4.32Å; F1015-R1090 HydrophobicContact CZ-CG 4.35Å
1016	L	87.3	Confident	81.5	Confident	32 Å²	32	58.9 Å²	58.9	17%	0.168	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	109.7	173.9	-68.1	175.4	0	0	0	109.3	D1007 L1010 L1035 T1036 K1037	D1007-L1016 HydrophobicContact CB-CD1 4.37Å; D1007-L1016 HydrophobicContact CB-CD2 3.93Å; L1010-L1016 HydrophobicContact CD1-CD1 4.32Å; L1010-L1016 HydrophobicContact CD1-CG 3.99Å; L1010-L1016 HydrophobicContact CD2-CD2 4.23Å; L1010-L1016 HydrophobicContact CD2-CG 4.18Å; L1016-L1035 HydrophobicContact CB-CD2 4.43Å; L1016-T1036 WeakPolarHBondContact CA-O 3.44Å; L1016-K1037 HydrophobicContact CD2-CB 4.11Å
1017	I	88.3	Confident	81.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.3	177.5	64.5	170.9	0	0	0	110.2	F1015 L1035 T1036 A1038 L1047 Y1089 F1100	F1015-I1017 HydrophobicContact CD1-CG2 3.94Å; I1017-L1035 WeakPolarHBondContact O-CA 3.29Å; I1017-T1036 HydrophobicContact CD1-CG2 3.93Å; I1017-T1036 HydrophobicContact CG1-CG2 3.56Å; I1017-T1036 WeakPolarHBondContact CG1-O 3.04Å; I1017-T1036 PolarHBondContact N-O 3.22Å; I1017-T1036 PolarHBondContact O-N 3.39Å; I1017-A1038 HydrophobicContact CD1-CB 3.98Å; I1017-A1038 HydrophobicContact CG1-CB 4.18Å; I1017-A1038 HydrophobicContact CG2-CB 4.1Å; I1017-L1047 HydrophobicContact CD1-CD1 4.36Å; I1017-L1047 HydrophobicContact CD1-CD2 3.63Å; I1017-Y1089 HydrophobicContact CB-CD1 4.04Å; I1017-Y1089 HydrophobicContact CB-CE1 4.3Å; I1017-Y1089 HydrophobicContact CB-CG 4.33Å; I1017-Y1089 HydrophobicContact CD1-CE1 4.43Å; I1017-Y1089 HydrophobicContact CG2-CD1 3.83Å; I1017-Y1089 HydrophobicContact CG2-CD2 3.89Å; I1017-Y1089 HydrophobicContact CG2-CE1 4.29Å; I1017-Y1089 HydrophobicContact CG2-CE2 4.36Å; I1017-Y1089 HydrophobicContact CG2-CG 3.6Å; I1017-F1100 HydrophobicContact CD1-CB 4.14Å
1018	P	89.6	Confident	82	Confident	8 Å²	8	63.1 Å²	63.1	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.6	171.9	29	-29.7	0	0	0	110.9	I968 L1035 P1098 F1099 F1100	I968-P1018 HydrophobicContact CB-CB 4.23Å; P1018-L1035 HydrophobicContact CB-CD2 4.16Å; P1018-P1098 VanDerWaalsContact CG-O 3.25Å; P1018-P1098 WeakPolarHBondContact CG-O 3.45Å; P1018-F1099 HydrophobicContact CB-CB 4.12Å; P1018-F1099 HydrophobicContact CG-CB 3.78Å; P1018-F1099 WeakPolarHBondContact O-CA 3.45Å; P1018-F1099 WeakPolarHBondContact O-CB 3.26Å; P1018-F1100 PolarHBondContact O-N 2.91Å
1019	V	91.2	Very high	82.7	Confident	1 Å²	1	60 Å²	60	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.3	176.5	-174.5	0	0	0	0	108.5	P1033 F1034 T1036 I1051 F1100 L1102	V1019-P1033 CarbonylContact O-C 3.58Å; V1019-P1033 WeakPolarHBondContact O-CA 3.22Å; V1019-P1033 VanDerWaalsContact O-CB 3.28Å; V1019-P1033 WeakPolarHBondContact O-CB 2.87Å; V1019-F1034 HydrophobicContact CB-CD1 4.45Å; V1019-F1034 HydrophobicContact CB-CD2 4.31Å; V1019-F1034 HydrophobicContact CB-CE1 4.16Å; V1019-F1034 HydrophobicContact CB-CE2 4.06Å; V1019-F1034 HydrophobicContact CB-CZ 4Å; V1019-F1034 WeakPolarHBondContact CB-O 2.93Å; V1019-F1034 HydrophobicContact CG1-CE1 3.93Å; V1019-F1034 HydrophobicContact CG1-CE2 4.24Å; V1019-F1034 HydrophobicContact CG1-CZ 3.74Å; V1019-F1034 HydrophobicContact CG2-CD2 4.43Å; V1019-F1034 HydrophobicContact CG2-CE2 4.09Å; V1019-F1034 HydrophobicContact CG2-CZ 4.42Å; V1019-F1034 PolarHBondContact N-O 3.24Å; V1019-F1034 PolarHBondContact O-N 3.02Å; V1019-T1036 HydrophobicContact CG2-CG2 3.59Å; V1019-I1051 HydrophobicContact CG2-CD1 4.24Å; V1019-F1100 VanDerWaalsContact CA-O 3.32Å; V1019-F1100 WeakPolarHBondContact CA-O 3.27Å; V1019-F1100 HydrophobicContact CG1-CD1 4.45Å; V1019-F1100 HydrophobicContact CG2-CB 4.33Å; V1019-L1102 HydrophobicContact CG1-CD1 3.58Å; V1019-L1102 HydrophobicContact CG1-CD2 4.14Å; V1019-L1102 HydrophobicContact CG1-CG 3.68Å
1020	A	90.8	Very high	83.4	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.8	177.3	0	0	0	0	0	111.9	K967 P1033 F1099 F1100 L1102	K967-A1020 HydrophobicContact CG-CB 4Å; A1020-P1033 HydrophobicContact CB-CB 4.27Å; A1020-F1099 HydrophobicContact CB-CD2 3.71Å; A1020-F1099 HydrophobicContact CB-CE2 3.77Å; A1020-F1100 PolarHBondContact N-O 3.15Å; A1020-F1100 VanDerWaalsContact N-O 3.12Å; A1020-L1102 PolarHBondContact O-N 3.4Å
1021	H	90.4	Very high	83.7	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.056	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.1	179.5	-46.6	-102	0	0	0	110.4	S1029 F1030 I1032 F1034 L1102 H1104	H1021-S1029 CarbonylContact O-C 3.54Å; H1021-S1029 WeakPolarHBondContact O-CA 3.48Å; H1021-S1029 WeakPolarHBondContact O-CB 3.25Å; H1021-F1030 HydrophobicContact CB-CD2 4.37Å; H1021-F1030 HydrophobicContact CB-CE1 4.48Å; H1021-F1030 HydrophobicContact CB-CE2 4.12Å; H1021-F1030 HydrophobicContact CB-CZ 4.18Å; H1021-F1030 WeakPolarHBondContact CB-O 3.42Å; H1021-F1030 PolarHBondContact O-N 3.22Å; H1021-I1032 PolarHBondContact NE2-O 2.8Å; H1021-F1034 AromaticContact NE2-CE1 3.84Å; H1021-L1102 WeakPolarHBondContact CA-O 3.03Å; H1021-H1104 AromaticContact CE1-NE2 3.89Å; H1021-H1104 AromaticContact CG-NE2 3.6Å; H1021-H1104 AromaticContact ND1-CD2 3.79Å; H1021-H1104 AromaticContact ND1-CE1 3.9Å; H1021-H1104 AromaticContact ND1-NE2 2.87Å; H1021-H1104 PolarHBondContact ND1-NE2 2.86Å
1022	F	88.4	Confident	84	Confident	10 Å²	10	49.8 Å²	49.8	4%	0.044	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.5	173.3	71.2	-78.5	0	0	0	110.4	L1026 N1028 F1030 C1068 I1070 L1102 D1103 H1104	F1022-L1026 HydrophobicContact CD1-CD2 4.28Å; F1022-L1026 HydrophobicContact CD2-CD2 4.11Å; F1022-L1026 HydrophobicContact CE1-CD2 4.19Å; F1022-L1026 HydrophobicContact CE2-CD2 4Å; F1022-L1026 HydrophobicContact CG-CD2 4.24Å; F1022-L1026 HydrophobicContact CZ-CD2 4.03Å; F1022-N1028 WeakPolarHBondContact CA-O 3.47Å; F1022-F1030 WeakPolarHBondContact O-CE1 3.03Å; F1022-C1068 VanDerWaalsContact CZ-SG 3.5Å; F1022-I1070 HydrophobicContact CD1-CD1 4.45Å; F1022-I1070 HydrophobicContact CE1-CD1 3.97Å; F1022-I1070 HydrophobicContact CZ-CD1 4.5Å; F1022-L1102 PolarHBondContact N-O 3.48Å; F1022-D1103 HydrophobicContact CD2-CB 4.45Å; F1022-D1103 HydrophobicContact CE1-CB 3.96Å; F1022-D1103 HydrophobicContact CE2-CB 3.83Å; F1022-D1103 HydrophobicContact CZ-CB 3.57Å; F1022-D1103 VanDerWaalsContact O-CA 3.3Å; F1022-D1103 WeakPolarHBondContact O-CA 3.29Å; F1022-H1104 PolarHBondContact O-N 3.17Å
1023	S	84.3	Confident	84.7	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.119	20%	0.201	C	C	.	.	S	Bend	trans	-129.5	117.3	178.6	-173.1	0	0	0	0	110.2	E1025 N1028 D1103 H1104	S1023-E1025 PolarHBondContact O-N 3.21Å; S1023-N1028 PolarHBondContact N-O 2.96Å; S1023-N1028 VanDerWaalsContact N-O 3.14Å; S1023-N1028 PolarHBondContact O-ND2 3.46Å; S1023-D1103 WeakPolarHBondContact CA-OD1 3.26Å; S1023-H1104 VanDerWaalsContact CB-O 3.26Å; S1023-H1104 WeakPolarHBondContact CB-O 3.48Å; S1023-H1104 PolarHBondContact OG-O 3.37Å
1024	K	79.6	Confident	85.1	Confident	151 Å²	151	37.8 Å²	37.8	66%	0.657	19%	0.185	S	C	*	.	S	Bend	trans	62.9	-58.7	-178	-58.1	-177.2	177.9	-177.3	0	113.1	D403 D1103	D403-K1024 IonicContact OD2-NZ 3.64Å; D403-K1024 PolarHBondContact OD2-NZ 2.95Å; D403-K1024 VanDerWaalsContact OD2-NZ 3.1Å; K1024-D1103 PolarHBondContact N-OD1 2.91Å
1025	E	78.4	Confident	85.3	Confident	107 Å²	107	36.2 Å²	36.2	50%	0.5	18%	0.178	S	C	.	.	S	Bend	trans	-118.2	143.5	-175.1	-56.9	-159.9	-142.2	0	0	112.7	S1023 Y1027 N1028	S1023-E1025 PolarHBondContact O-N 3.21Å; E1025-Y1027 VanDerWaalsContact C-N 3.26Å; E1025-Y1027 HydrophobicContact CB-CD1 3.97Å; E1025-Y1027 HydrophobicContact CB-CE1 3.58Å; E1025-Y1027 HydrophobicContact CB-CE2 4.33Å; E1025-Y1027 HydrophobicContact CG-CE1 4.19Å; E1025-Y1027 PolarHBondContact O-N 3.27Å; E1025-Y1027 PolarHBondContact OE1-OH 3.14Å; E1025-Y1027 WeakPolarHBondContact OE2-CE1 3.46Å; E1025-Y1027 PolarHBondContact OE2-OH 3.43Å; E1025-N1028 WeakPolarHBondContact O-CB 3.36Å; E1025-N1028 PolarHBondContact O-N 3.36Å
1026	L	72.2	Confident	85.4	Confident	46 Å²	46	33.5 Å²	33.5	24%	0.241	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.5	-171.8	-72.2	173.7	0	0	0	114.9	K967 F1022 N1028 S1029 I1070 F1099	K967-L1026 PolarHBondContact NZ-O 3.39Å; F1022-L1026 HydrophobicContact CD1-CD2 4.28Å; F1022-L1026 HydrophobicContact CD2-CD2 4.11Å; F1022-L1026 HydrophobicContact CE1-CD2 4.19Å; F1022-L1026 HydrophobicContact CE2-CD2 4Å; F1022-L1026 HydrophobicContact CG-CD2 4.24Å; F1022-L1026 HydrophobicContact CZ-CD2 4.03Å; L1026-N1028 VanDerWaalsContact C-N 3.34Å; L1026-S1029 PolarHBondContact O-OG 2.88Å; L1026-I1070 HydrophobicContact CD1-CG2 3.93Å; L1026-I1070 HydrophobicContact CD2-CD1 3.27Å; L1026-I1070 HydrophobicContact CD2-CG1 3.78Å; L1026-I1070 HydrophobicContact CD2-CG2 4.1Å; L1026-F1099 HydrophobicContact CD2-CZ 4.39Å
1027	Y	74.9	Confident	85.5	Confident	155 Å²	155	33.5 Å²	33.5	61%	0.608	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.3	174.2	59.4	-103.8	0	0	0	112	N965 E1025 S1029	N965-Y1027 PolarHBondContact ND2-O 3.48Å; E1025-Y1027 VanDerWaalsContact C-N 3.26Å; E1025-Y1027 HydrophobicContact CB-CD1 3.97Å; E1025-Y1027 HydrophobicContact CB-CE1 3.58Å; E1025-Y1027 HydrophobicContact CB-CE2 4.33Å; E1025-Y1027 HydrophobicContact CG-CE1 4.19Å; E1025-Y1027 PolarHBondContact O-N 3.27Å; E1025-Y1027 PolarHBondContact OE1-OH 3.14Å; E1025-Y1027 WeakPolarHBondContact OE2-CE1 3.46Å; E1025-Y1027 PolarHBondContact OE2-OH 3.43Å; Y1027-S1029 PolarHBondContact O-N 3.5Å
1028	N	80.6	Confident	85.4	Confident	65 Å²	65	33.5 Å²	33.5	35%	0.348	17%	0.165	S	C	.	.	S	Bend	trans	-86.2	53.1	177.4	-167.6	23.4	0	0	0	110.9	F1022 S1023 E1025 L1026	F1022-N1028 WeakPolarHBondContact CA-O 3.47Å; S1023-N1028 PolarHBondContact N-O 2.96Å; S1023-N1028 VanDerWaalsContact N-O 3.14Å; S1023-N1028 PolarHBondContact O-ND2 3.46Å; E1025-N1028 WeakPolarHBondContact O-CB 3.36Å; E1025-N1028 PolarHBondContact O-N 3.36Å; L1026-N1028 VanDerWaalsContact C-N 3.34Å
1029	S	83.4	Confident	85.4	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	142.8	175.5	-60.9	0	0	0	0	110.8	N965 H966 K967 H1021 L1026 Y1027	N965-S1029 WeakPolarHBondContact O-CB 3.32Å; H966-S1029 PolarHBondContact CD2-O 3.23Å; K967-S1029 WeakPolarHBondContact CE-OG 3.4Å; K967-S1029 PolarHBondContact NZ-OG 3.44Å; H1021-S1029 CarbonylContact O-C 3.54Å; H1021-S1029 WeakPolarHBondContact O-CA 3.48Å; H1021-S1029 WeakPolarHBondContact O-CB 3.25Å; L1026-S1029 PolarHBondContact O-OG 2.88Å; Y1027-S1029 PolarHBondContact O-N 3.5Å
1030	F	85.1	Confident	85.3	Confident	9 Å²	9	43.1 Å²	43.1	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	-178.7	-176.9	66.5	-90.1	0	0	0	111.2	H1021 F1022 H1104 N1106	H1021-F1030 HydrophobicContact CB-CD2 4.37Å; H1021-F1030 HydrophobicContact CB-CE1 4.48Å; H1021-F1030 HydrophobicContact CB-CE2 4.12Å; H1021-F1030 HydrophobicContact CB-CZ 4.18Å; H1021-F1030 WeakPolarHBondContact CB-O 3.42Å; H1021-F1030 PolarHBondContact O-N 3.22Å; F1022-F1030 WeakPolarHBondContact O-CE1 3.03Å; F1030-H1104 WeakPolarHBondContact CE1-O 3.48Å; F1030-H1104 AromaticContact CE2-CE1 3.46Å; F1030-H1104 VanDerWaalsContact CE2-CE1 3.46Å; F1030-H1104 WeakPolarHBondContact CE2-CE1 3.21Å; F1030-H1104 AromaticContact CE2-ND1 3.98Å; F1030-H1104 AromaticContact CE2-NE2 3.98Å; F1030-H1104 AromaticContact CZ-CE1 3.49Å; F1030-H1104 VanDerWaalsContact CZ-CE1 3.49Å; F1030-H1104 WeakPolarHBondContact CZ-CE1 3.27Å; F1030-H1104 AromaticContact CZ-ND1 3.63Å; F1030-H1104 AromaticContact CZ-NE2 3.86Å; F1030-H1104 VanDerWaalsContact CZ-O 3.24Å; F1030-H1104 WeakPolarHBondContact CZ-O 3.29Å; F1030-N1106 HydrophobicContact CD1-CB 3.82Å; F1030-N1106 HydrophobicContact CD2-CB 3.54Å; F1030-N1106 WeakPolarHBondContact CD2-OD1 3.45Å; F1030-N1106 HydrophobicContact CE1-CB 3.82Å; F1030-N1106 VanDerWaalsContact CE2-CA 3.48Å; F1030-N1106 HydrophobicContact CE2-CB 3.56Å; F1030-N1106 HydrophobicContact CG-CB 3.69Å; F1030-N1106 HydrophobicContact CZ-CB 3.71Å
1031	G	84.1	Confident	85	Confident	32 Å²	32	45.2 Å²	45.2	33%	0.33	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70	-159.7	176.5	0	0	0	0	0	113.4	H966	H966-G1031 PolarHBondContact ND1-O 2.95Å
1032	I	87	Confident	84.9	Confident	37 Å²	37	45.8 Å²	45.8	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	104.9	-171.1	-54	179	0	0	0	108.1	V917 L921 E924 H1021	V917-I1032 HydrophobicContact CG1-CG2 4.34Å; L921-I1032 HydrophobicContact CD2-CG2 4.34Å; L921-I1032 VanDerWaalsContact O-CD1 3.24Å; L921-I1032 WeakPolarHBondContact O-CD1 3.3Å; E924-I1032 HydrophobicContact CG-CD1 3.85Å; E924-I1032 WeakPolarHBondContact OE1-CD1 3.35Å; E924-I1032 VanDerWaalsContact OE1-CG1 3.22Å; E924-I1032 WeakPolarHBondContact OE1-CG1 3.47Å; H1021-I1032 PolarHBondContact NE2-O 2.8Å
1033	P	89.9	Confident	85	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	154	176.8	30.8	-37.2	0	0	0	110.4	I963 H966 I968 R999 V1019 A1020	I963-P1033 HydrophobicContact CD1-CG 4.27Å; I963-P1033 HydrophobicContact CG2-CG 4.31Å; H966-P1033 VanDerWaalsContact O-CB 3.3Å; H966-P1033 WeakPolarHBondContact O-CB 3.5Å; H966-P1033 VanDerWaalsContact O-CG 3.24Å; H966-P1033 WeakPolarHBondContact O-CG 3.33Å; I968-P1033 HydrophobicContact CD1-CB 4.27Å; I968-P1033 HydrophobicContact CG1-CB 3.99Å; I968-P1033 HydrophobicContact CG1-CG 4.04Å; R999-P1033 PolarHBondContact NH1-O 3.04Å; R999-P1033 PolarHBondContact NH2-O 3.27Å; V1019-P1033 CarbonylContact O-C 3.58Å; V1019-P1033 WeakPolarHBondContact O-CA 3.22Å; V1019-P1033 VanDerWaalsContact O-CB 3.28Å; V1019-P1033 WeakPolarHBondContact O-CB 2.87Å; A1020-P1033 HydrophobicContact CB-CB 4.27Å
1034	F	90.1	Very high	85.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	163.9	179.6	57.6	-82	0	0	0	111.5	L921 V1019 H1021 I1051 L1055	L921-F1034 HydrophobicContact CD1-CB 3.91Å; L921-F1034 HydrophobicContact CD1-CD1 3.91Å; L921-F1034 HydrophobicContact CD1-CD2 4.43Å; L921-F1034 HydrophobicContact CD1-CG 3.83Å; L921-F1034 HydrophobicContact CD2-CB 4.24Å; V1019-F1034 HydrophobicContact CB-CD1 4.45Å; V1019-F1034 HydrophobicContact CB-CD2 4.31Å; V1019-F1034 HydrophobicContact CB-CE1 4.16Å; V1019-F1034 HydrophobicContact CB-CE2 4.06Å; V1019-F1034 HydrophobicContact CB-CZ 4Å; V1019-F1034 WeakPolarHBondContact CB-O 2.93Å; V1019-F1034 HydrophobicContact CG1-CE1 3.93Å; V1019-F1034 HydrophobicContact CG1-CE2 4.24Å; V1019-F1034 HydrophobicContact CG1-CZ 3.74Å; V1019-F1034 HydrophobicContact CG2-CD2 4.43Å; V1019-F1034 HydrophobicContact CG2-CE2 4.09Å; V1019-F1034 HydrophobicContact CG2-CZ 4.42Å; V1019-F1034 PolarHBondContact N-O 3.24Å; V1019-F1034 PolarHBondContact O-N 3.02Å; H1021-F1034 AromaticContact NE2-CE1 3.84Å; F1034-I1051 HydrophobicContact CE2-CG2 4.32Å; F1034-I1051 HydrophobicContact CZ-CG2 3.83Å; F1034-L1055 HydrophobicContact CD1-CD2 4.34Å; F1034-L1055 HydrophobicContact CE1-CD1 4.23Å; F1034-L1055 HydrophobicContact CE1-CD2 3.57Å; F1034-L1055 HydrophobicContact CE1-CG 4.04Å; F1034-L1055 HydrophobicContact CZ-CD1 4.07Å; F1034-L1055 HydrophobicContact CZ-CD2 3.91Å; F1034-L1055 HydrophobicContact CZ-CG 3.88Å
1035	L	89.3	Confident	85.5	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.9	174	-68.2	164.2	0	0	0	109.5	R959 L961 I968 V971 L1016 I1017 P1018 R1054	R959-L1035 VanDerWaalsContact CZ-CD1 3.49Å; L961-L1035 HydrophobicContact CD2-CD1 3.96Å; I968-L1035 HydrophobicContact CD1-CD2 4.33Å; I968-L1035 HydrophobicContact CD1-CG 3.95Å; V971-L1035 HydrophobicContact CG2-CD1 3.91Å; L1016-L1035 HydrophobicContact CB-CD2 4.43Å; I1017-L1035 WeakPolarHBondContact O-CA 3.29Å; P1018-L1035 HydrophobicContact CB-CD2 4.16Å; L1035-R1054 PolarHBondContact O-NH1 3.49Å; L1035-R1054 PolarHBondContact O-NH2 3.2Å
1036	T	88.3	Confident	85.9	Confident	2 Å²	2	38 Å²	38	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.2	172.1	-165.5	0	0	0	0	110.4	L1016 I1017 V1019 L1047 I1051	L1016-T1036 WeakPolarHBondContact CA-O 3.44Å; I1017-T1036 HydrophobicContact CD1-CG2 3.93Å; I1017-T1036 HydrophobicContact CG1-CG2 3.56Å; I1017-T1036 WeakPolarHBondContact CG1-O 3.04Å; I1017-T1036 PolarHBondContact N-O 3.22Å; I1017-T1036 PolarHBondContact O-N 3.39Å; V1019-T1036 HydrophobicContact CG2-CG2 3.59Å; T1036-L1047 HydrophobicContact CG2-CD1 3.83Å; T1036-I1051 HydrophobicContact CG2-CD1 4.25Å; T1036-I1051 HydrophobicContact CG2-CG1 4.15Å
1037	K	88.7	Confident	86.7	Confident	32 Å²	32	35.8 Å²	35.8	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.7	177.3	-173.8	169.1	70.6	177.5	0	110.8	E1006 L1010 E1014 L1016	E1006-K1037 WeakPolarHBondContact O-CE 3.24Å; E1006-K1037 PolarHBondContact O-NZ 3.25Å; L1010-K1037 HydrophobicContact CD2-CD 3.6Å; L1010-K1037 HydrophobicContact CD2-CG 3.89Å; E1014-K1037 HydrophobicContact CB-CD 4.47Å; E1014-K1037 HydrophobicContact CB-CG 4.43Å; E1014-K1037 IonicContact OE1-NZ 3.61Å; E1014-K1037 IonicContact OE2-NZ 2.83Å; L1016-K1037 HydrophobicContact CD2-CB 4.11Å
1038	A	87.7	Confident	87.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.7	173.9	0	0	0	0	0	111.5	E1014 F1015 I1017 E1042 L1047 V1084 L1086	E1014-A1038 CarbonylContact C-O 3.53Å; E1014-A1038 VanDerWaalsContact CA-O 3.31Å; E1014-A1038 WeakPolarHBondContact CA-O 3.46Å; F1015-A1038 PolarHBondContact N-O 3.21Å; F1015-A1038 PolarHBondContact O-N 3.13Å; I1017-A1038 HydrophobicContact CD1-CB 3.98Å; I1017-A1038 HydrophobicContact CG1-CB 4.18Å; I1017-A1038 HydrophobicContact CG2-CB 4.1Å; A1038-E1042 WeakPolarHBondContact CA-OE1 3.48Å; A1038-L1047 HydrophobicContact CB-CD1 4.13Å; A1038-L1047 HydrophobicContact CB-CD2 4.38Å; A1038-V1084 HydrophobicContact CB-CG1 4.23Å; A1038-L1086 HydrophobicContact CB-CD2 4.03Å
1039	R	88.9	Confident	87.7	Confident	129 Å²	129	31.6 Å²	31.6	49%	0.487	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138	-179.3	-174.8	177.4	178.6	-174.5	-2.6	111.2	N1013 E1014 G1041 E1042	N1013-R1039 PolarHBondContact ND2-NE 2.88Å; N1013-R1039 VanDerWaalsContact ND2-NE 3.14Å; N1013-R1039 PolarHBondContact ND2-NH2 2.89Å; N1013-R1039 WeakPolarHBondContact O-CA 3.44Å; E1014-R1039 HydrophobicContact CG-CB 4.21Å; E1014-R1039 HydrophobicContact CG-CG 4.18Å; R1039-G1041 PolarHBondContact O-N 3.07Å; R1039-E1042 HydrophobicContact CB-CB 4.3Å; R1039-E1042 HydrophobicContact CB-CG 4.42Å; R1039-E1042 PolarHBondContact N-OE1 2.94Å; R1039-E1042 WeakPolarHBondContact O-CG 3.41Å; R1039-E1042 PolarHBondContact O-N 3.26Å; R1039-E1042 VanDerWaalsContact O-N 3.13Å
1040	Q	88.8	Confident	88	Confident	83 Å²	83	34.4 Å²	34.4	39%	0.388	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	126.1	177.1	-171.1	71.1	20.7	0	0	110.5	N1013 E1042 D1085 L1086	N1013-Q1040 HydrophobicContact CB-CB 4.39Å; N1013-Q1040 PolarHBondContact O-N 3.07Å; Q1040-E1042 VanDerWaalsContact C-N 3.3Å; Q1040-E1042 PolarHBondContact O-N 2.78Å; Q1040-D1085 PolarHBondContact NE2-OD1 3.26Å; Q1040-L1086 HydrophobicContact CB-CD1 4Å; Q1040-L1086 HydrophobicContact CB-CG 4.26Å
1041	G	84.1	Confident	88.2	Confident	46 Å²	46	34 Å²	34	47%	0.474	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	2.6	177	0	0	0	0	0	115.5	R1039 V1084	R1039-G1041 PolarHBondContact O-N 3.07Å; G1041-V1084 PolarHBondContact N-O 3.4Å
1042	E	89.8	Confident	88.4	Confident	24 Å²	24	33.8 Å²	33.8	11%	0.112	18%	0.177	C	C	.	.			trans	-71.3	146	172.3	84.7	-178.6	142.4	0	0	110.7	A1038 R1039 Q1040 R1050 P1083 V1084	A1038-E1042 WeakPolarHBondContact CA-OE1 3.48Å; R1039-E1042 HydrophobicContact CB-CB 4.3Å; R1039-E1042 HydrophobicContact CB-CG 4.42Å; R1039-E1042 PolarHBondContact N-OE1 2.94Å; R1039-E1042 WeakPolarHBondContact O-CG 3.41Å; R1039-E1042 PolarHBondContact O-N 3.26Å; R1039-E1042 VanDerWaalsContact O-N 3.13Å; Q1040-E1042 VanDerWaalsContact C-N 3.3Å; Q1040-E1042 PolarHBondContact O-N 2.78Å; E1042-R1050 IonicContact OE1-NH2 3.39Å; E1042-R1050 IonicContact OE2-NH2 2.71Å; E1042-R1050 PolarHBondContact OE2-NH2 2.8Å; E1042-P1083 CarbonylContact O-C 3.59Å; E1042-P1083 WeakPolarHBondContact O-CA 3.49Å; E1042-V1084 HydrophobicContact CG-CB 4.24Å; E1042-V1084 HydrophobicContact CG-CG2 3.85Å; E1042-V1084 VanDerWaalsContact O-CG2 3.3Å; E1042-V1084 WeakPolarHBondContact O-CG2 3.4Å; E1042-V1084 PolarHBondContact O-N 3.45Å
1043	P	89.3	Confident	88.3	Confident	63 Å²	63	40.6 Å²	40.6	41%	0.409	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-67.7	137.5	175.9	26.5	-32.4	0	0	0	110.7	G1045 A1046 D1080	P1043-G1045 PolarHBondContact O-N 3.39Å; P1043-G1045 VanDerWaalsContact O-N 3.08Å; P1043-A1046 HydrophobicContact CG-CB 4.13Å; P1043-A1046 WeakPolarHBondContact O-CB 3.37Å; P1043-A1046 PolarHBondContact O-N 2.9Å; P1043-D1080 WeakPolarHBondContact CB-O 3.15Å
1044	Y	87.7	Confident	88	Confident	11 Å²	11	43.2 Å²	43.2	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-24.9	176.6	-86.5	-79.3	0	0	0	113.1	A1046 L1047 K1048 V1069 V1078 D1080 T1082 V1084 Y1089 F1100	Y1044-A1046 VanDerWaalsContact C-N 3.31Å; Y1044-A1046 PolarHBondContact O-N 3.47Å; Y1044-L1047 HydrophobicContact CD1-CD2 3.79Å; Y1044-L1047 HydrophobicContact CE1-CD2 3.96Å; Y1044-L1047 WeakPolarHBondContact O-CB 3.49Å; Y1044-L1047 PolarHBondContact O-N 3.42Å; Y1044-K1048 WeakPolarHBondContact O-CB 3.44Å; Y1044-K1048 VanDerWaalsContact O-CG 3.32Å; Y1044-K1048 WeakPolarHBondContact O-CG 3.5Å; Y1044-K1048 PolarHBondContact O-N 3.03Å; Y1044-V1069 HydrophobicContact CE1-CG2 4.26Å; Y1044-V1069 WeakPolarHBondContact OH-CG2 3.43Å; Y1044-V1078 HydrophobicContact CD1-CG1 3.56Å; Y1044-V1078 HydrophobicContact CD2-CG1 3.24Å; Y1044-V1078 HydrophobicContact CE1-CG1 4.13Å; Y1044-V1078 HydrophobicContact CE2-CG1 3.85Å; Y1044-V1078 HydrophobicContact CG-CG1 3.1Å; Y1044-D1080 PolarHBondContact N-O 2.87Å; Y1044-T1082 HydrophobicContact CD2-CG2 4.09Å; Y1044-T1082 VanDerWaalsContact CD2-O 3.23Å; Y1044-T1082 WeakPolarHBondContact CD2-O 3.48Å; Y1044-T1082 HydrophobicContact CE2-CG2 4.2Å; Y1044-T1082 PolarHBondContact N-O 2.83Å; Y1044-V1084 HydrophobicContact CD1-CG2 3.71Å; Y1044-V1084 HydrophobicContact CD2-CG2 3.91Å; Y1044-V1084 HydrophobicContact CE1-CG2 3.72Å; Y1044-V1084 HydrophobicContact CE2-CB 4.35Å; Y1044-V1084 HydrophobicContact CE2-CG2 3.93Å; Y1044-V1084 HydrophobicContact CG-CG2 3.79Å; Y1044-Y1089 WeakPolarHBondContact OH-CE2 3.13Å; Y1044-Y1089 PolarHBondContact OH-OH 3.37Å; Y1044-F1100 HydrophobicContact CD1-CD2 4.39Å; Y1044-F1100 AromaticContact CD1-CE2 3.61Å; Y1044-F1100 HydrophobicContact CD1-CE2 3.61Å; Y1044-F1100 HydrophobicContact CD1-CZ 4.14Å; Y1044-F1100 AromaticContact CE1-CD2 3.93Å; Y1044-F1100 HydrophobicContact CE1-CD2 3.93Å; Y1044-F1100 AromaticContact CE1-CE2 3.56Å; Y1044-F1100 HydrophobicContact CE1-CE2 3.56Å; Y1044-F1100 HydrophobicContact CE1-CZ 4.49Å
1045	G	86.6	Confident	87.7	Confident	12 Å²	12	45.1 Å²	45.1	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-38.7	171.5	0	0	0	0	0	113.4	P1043 K1048 Q1049 D1080	P1043-G1045 PolarHBondContact O-N 3.39Å; P1043-G1045 VanDerWaalsContact O-N 3.08Å; G1045-K1048 PolarHBondContact O-N 2.83Å; G1045-Q1049 WeakPolarHBondContact O-CG 3.22Å; G1045-Q1049 PolarHBondContact O-N 3.05Å; G1045-Q1049 VanDerWaalsContact O-N 3.11Å; G1045-D1080 PolarHBondContact N-O 3.28Å
1046	A	87.6	Confident	87.4	Confident	35 Å²	35	50.4 Å²	50.4	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-37	176.1	0	0	0	0	0	111.8	P1043 Y1044 R1050	P1043-A1046 HydrophobicContact CG-CB 4.13Å; P1043-A1046 WeakPolarHBondContact O-CB 3.37Å; P1043-A1046 PolarHBondContact O-N 2.9Å; Y1044-A1046 VanDerWaalsContact C-N 3.31Å; Y1044-A1046 PolarHBondContact O-N 3.47Å; A1046-R1050 PolarHBondContact O-N 3.13Å
1047	L	88.6	Confident	87.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-44.6	174.7	-177.4	63.1	0	0	0	111.4	I1017 T1036 A1038 Y1044 Q1049 R1050 I1051 V1084	I1017-L1047 HydrophobicContact CD1-CD1 4.36Å; I1017-L1047 HydrophobicContact CD1-CD2 3.63Å; T1036-L1047 HydrophobicContact CG2-CD1 3.83Å; A1038-L1047 HydrophobicContact CB-CD1 4.13Å; A1038-L1047 HydrophobicContact CB-CD2 4.38Å; Y1044-L1047 HydrophobicContact CD1-CD2 3.79Å; Y1044-L1047 HydrophobicContact CE1-CD2 3.96Å; Y1044-L1047 WeakPolarHBondContact O-CB 3.49Å; Y1044-L1047 PolarHBondContact O-N 3.42Å; L1047-Q1049 PolarHBondContact O-N 3.33Å; L1047-R1050 VanDerWaalsContact O-CB 3.32Å; L1047-R1050 WeakPolarHBondContact O-CB 3.44Å; L1047-R1050 PolarHBondContact O-N 2.83Å; L1047-R1050 VanDerWaalsContact O-N 3.09Å; L1047-I1051 HydrophobicContact CD1-CD1 4.46Å; L1047-I1051 HydrophobicContact CG-CD1 4.07Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; L1047-I1051 PolarHBondContact O-N 3.49Å; L1047-V1084 HydrophobicContact CD2-CG2 4.14Å
1048	K	89.3	Confident	87	Confident	19 Å²	19	57.1 Å²	57.1	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-46.9	175.2	-74.3	177	-169.8	-179.2	0	111.8	Y1044 G1045 R1050 I1051 Q1052 W1062 F1067 V1078 D1080 F1100	Y1044-K1048 WeakPolarHBondContact O-CB 3.44Å; Y1044-K1048 VanDerWaalsContact O-CG 3.32Å; Y1044-K1048 WeakPolarHBondContact O-CG 3.5Å; Y1044-K1048 PolarHBondContact O-N 3.03Å; G1045-K1048 PolarHBondContact O-N 2.83Å; K1048-R1050 PolarHBondContact O-N 2.87Å; K1048-I1051 PolarHBondContact O-N 3.14Å; K1048-I1051 VanDerWaalsContact O-N 3.17Å; K1048-Q1052 WeakPolarHBondContact O-CB 3.41Å; K1048-Q1052 PolarHBondContact O-N 3.29Å; K1048-W1062 HydrophobicContact CB-CZ2 4.07Å; K1048-W1062 VanDerWaalsContact O-CZ2 3.23Å; K1048-W1062 WeakPolarHBondContact O-CZ2 3.33Å; K1048-F1067 HydrophobicContact CD-CD1 4.38Å; K1048-F1067 HydrophobicContact CD-CD2 3.76Å; K1048-F1067 HydrophobicContact CD-CE2 3.93Å; K1048-F1067 HydrophobicContact CD-CG 4Å; K1048-F1067 HydrophobicContact CD-CZ 4.31Å; K1048-F1067 VanDerWaalsContact CE-CD2 3.42Å; K1048-F1067 HydrophobicContact CG-CD1 4.13Å; K1048-F1067 HydrophobicContact CG-CD2 4.39Å; K1048-F1067 HydrophobicContact CG-CE1 4.21Å; K1048-F1067 HydrophobicContact CG-CE2 4.47Å; K1048-F1067 HydrophobicContact CG-CG 4.23Å; K1048-F1067 HydrophobicContact CG-CZ 4.38Å; K1048-V1078 PolarHBondContact NZ-O 3.46Å; K1048-D1080 WeakPolarHBondContact CD-OD1 3.44Å; K1048-D1080 WeakPolarHBondContact CE-OD1 3.49Å; K1048-D1080 IonicContact NZ-OD1 3.97Å; K1048-D1080 PolarHBondContact NZ-OD1 2.78Å; K1048-F1100 HydrophobicContact CG-CZ 4.43Å
1049	Q	87.3	Confident	86.9	Confident	112 Å²	112	62.6 Å²	62.6	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-31.1	176.7	-72.9	179.4	12.9	0	0	113.3	G1045 L1047 R1053	G1045-Q1049 WeakPolarHBondContact O-CG 3.22Å; G1045-Q1049 PolarHBondContact O-N 3.05Å; G1045-Q1049 VanDerWaalsContact O-N 3.11Å; L1047-Q1049 PolarHBondContact O-N 3.33Å; Q1049-R1053 WeakPolarHBondContact O-CG 3.35Å; Q1049-R1053 PolarHBondContact O-N 3.4Å; Q1049-R1053 PolarHBondContact O-NE 3.16Å; Q1049-R1053 VanDerWaalsContact O-NE 3.13Å
1050	R	89.1	Confident	86.6	Confident	67 Å²	67	64.3 Å²	64.3	25%	0.253	32%	0.321	S	S	.	.	H	α-helix	trans	-71.4	-43.2	176.1	-156.3	-171.9	-46.8	-120.9	6.6	110.9	E1042 A1046 L1047 K1048 R1054	E1042-R1050 IonicContact OE1-NH2 3.39Å; E1042-R1050 IonicContact OE2-NH2 2.71Å; E1042-R1050 PolarHBondContact OE2-NH2 2.8Å; A1046-R1050 PolarHBondContact O-N 3.13Å; L1047-R1050 VanDerWaalsContact O-CB 3.32Å; L1047-R1050 WeakPolarHBondContact O-CB 3.44Å; L1047-R1050 PolarHBondContact O-N 2.83Å; L1047-R1050 VanDerWaalsContact O-N 3.09Å; K1048-R1050 PolarHBondContact O-N 2.87Å; R1050-R1054 WeakPolarHBondContact O-CB 3.47Å; R1050-R1054 PolarHBondContact O-N 2.92Å; R1050-R1054 VanDerWaalsContact O-N 3.09Å
1051	I	89.1	Confident	86.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-44.6	176.1	-66.1	173.4	0	0	0	110.4	V1019 F1034 T1036 L1047 K1048 R1053 R1054 L1055 W1062 F1100 L1102	V1019-I1051 HydrophobicContact CG2-CD1 4.24Å; F1034-I1051 HydrophobicContact CE2-CG2 4.32Å; F1034-I1051 HydrophobicContact CZ-CG2 3.83Å; T1036-I1051 HydrophobicContact CG2-CD1 4.25Å; T1036-I1051 HydrophobicContact CG2-CG1 4.15Å; L1047-I1051 HydrophobicContact CD1-CD1 4.46Å; L1047-I1051 HydrophobicContact CG-CD1 4.07Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; L1047-I1051 PolarHBondContact O-N 3.49Å; K1048-I1051 PolarHBondContact O-N 3.14Å; K1048-I1051 VanDerWaalsContact O-N 3.17Å; I1051-R1053 PolarHBondContact O-N 3.35Å; I1051-R1054 PolarHBondContact O-N 2.99Å; I1051-R1054 VanDerWaalsContact O-N 3.16Å; I1051-L1055 HydrophobicContact CG2-CD1 3.96Å; I1051-L1055 PolarHBondContact O-N 2.8Å; I1051-W1062 HydrophobicContact CB-CH2 4.07Å; I1051-W1062 HydrophobicContact CG2-CH2 3.63Å; I1051-W1062 HydrophobicContact CG2-CZ3 4.33Å; I1051-F1100 HydrophobicContact CD1-CD1 3.57Å; I1051-F1100 HydrophobicContact CD1-CE1 3.53Å; I1051-L1102 HydrophobicContact CG2-CD1 4.06Å; I1051-L1102 HydrophobicContact CG2-CD2 4.33Å
1052	Q	88.8	Confident	86.4	Confident	27 Å²	27	62.3 Å²	62.3	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-48.1	177.5	-169.7	-175.4	6.3	0	0	112.1	K1048 R1054 L1055 N1056 D1059 W1062	K1048-Q1052 WeakPolarHBondContact O-CB 3.41Å; K1048-Q1052 PolarHBondContact O-N 3.29Å; Q1052-R1054 VanDerWaalsContact C-N 3.28Å; Q1052-R1054 PolarHBondContact O-N 3.41Å; Q1052-L1055 PolarHBondContact O-N 3.46Å; Q1052-N1056 PolarHBondContact O-N 2.69Å; Q1052-D1059 PolarHBondContact NE2-OD1 2.9Å; Q1052-W1062 HydrophobicContact CB-CD2 3.8Å; Q1052-W1062 HydrophobicContact CB-CE3 4.04Å; Q1052-W1062 HydrophobicContact CB-CG 4.39Å; Q1052-W1062 HydrophobicContact CB-CH2 3.98Å; Q1052-W1062 HydrophobicContact CB-CZ2 3.73Å; Q1052-W1062 HydrophobicContact CB-CZ3 4.14Å; Q1052-W1062 VanDerWaalsContact CD-CG 3.49Å; Q1052-W1062 HydrophobicContact CG-CB 4.26Å; Q1052-W1062 HydrophobicContact CG-CD2 3.54Å; Q1052-W1062 HydrophobicContact CG-CE3 3.85Å; Q1052-W1062 HydrophobicContact CG-CG 3.73Å; Q1052-W1062 HydrophobicContact CG-CZ2 4.42Å; Q1052-W1062 HydrophobicContact CG-CZ3 4.42Å
1053	R	85.7	Confident	86.1	Confident	180 Å²	180	68.6 Å²	68.6	68%	0.679	33%	0.328	S	S	*	.	H	α-helix	trans	-60.9	-37.6	176.1	-79.6	-178.4	-84.5	156.2	-13.6	112.3	Q1049 I1051 N1056	Q1049-R1053 WeakPolarHBondContact O-CG 3.35Å; Q1049-R1053 PolarHBondContact O-N 3.4Å; Q1049-R1053 PolarHBondContact O-NE 3.16Å; Q1049-R1053 VanDerWaalsContact O-NE 3.13Å; I1051-R1053 PolarHBondContact O-N 3.35Å; R1053-N1056 PolarHBondContact O-N 3.29Å
1054	R	82.7	Confident	85.9	Confident	60 Å²	60	71.4 Å²	71.4	23%	0.226	34%	0.34	C	S	.	.	H	α-helix	trans	-71.2	-36.8	179.2	-170.9	167.9	-176	152.6	-2.8	112.9	L921 D1007 L1035 R1050 I1051 Q1052 N1056	L921-R1054 HydrophobicContact CD1-CG 4.32Å; D1007-R1054 IonicContact OD2-NH1 3.59Å; L1035-R1054 PolarHBondContact O-NH1 3.49Å; L1035-R1054 PolarHBondContact O-NH2 3.2Å; R1050-R1054 WeakPolarHBondContact O-CB 3.47Å; R1050-R1054 PolarHBondContact O-N 2.92Å; R1050-R1054 VanDerWaalsContact O-N 3.09Å; I1051-R1054 PolarHBondContact O-N 2.99Å; I1051-R1054 VanDerWaalsContact O-N 3.16Å; Q1052-R1054 VanDerWaalsContact C-N 3.28Å; Q1052-R1054 PolarHBondContact O-N 3.41Å; R1054-N1056 VanDerWaalsContact C-N 3.33Å
1055	L	84.2	Confident	85.9	Confident	39 Å²	39	72 Å²	72	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-81.2	-13.6	176.8	-70	174.9	0	0	0	113.4	F1034 I1051 Q1052 V1057 W1062 L1102	F1034-L1055 HydrophobicContact CD1-CD2 4.34Å; F1034-L1055 HydrophobicContact CE1-CD1 4.23Å; F1034-L1055 HydrophobicContact CE1-CD2 3.57Å; F1034-L1055 HydrophobicContact CE1-CG 4.04Å; F1034-L1055 HydrophobicContact CZ-CD1 4.07Å; F1034-L1055 HydrophobicContact CZ-CD2 3.91Å; F1034-L1055 HydrophobicContact CZ-CG 3.88Å; I1051-L1055 HydrophobicContact CG2-CD1 3.96Å; I1051-L1055 PolarHBondContact O-N 2.8Å; Q1052-L1055 PolarHBondContact O-N 3.46Å; L1055-V1057 HydrophobicContact CB-CG2 3.7Å; L1055-V1057 PolarHBondContact O-N 3.02Å; L1055-W1062 HydrophobicContact CD1-CZ3 4.12Å; L1055-L1102 HydrophobicContact CD1-CD1 3.74Å
1056	N	83.9	Confident	86	Confident	118 Å²	118	78.1 Å²	78.1	63%	0.631	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	42.7	-177.1	-165.7	17.2	0	0	0	112.6	Q1052 R1053 R1054	Q1052-N1056 PolarHBondContact O-N 2.69Å; R1053-N1056 PolarHBondContact O-N 3.29Å; R1054-N1056 VanDerWaalsContact C-N 3.33Å
1057	V	83.6	Confident	86.1	Confident	25 Å²	25	77.4 Å²	77.4	15%	0.152	36%	0.355	C	S	.	.			trans	-90.7	134.5	179.7	175.6	0	0	0	0	109.3	L1055 E1061 W1062 Y1065	L1055-V1057 HydrophobicContact CB-CG2 3.7Å; L1055-V1057 PolarHBondContact O-N 3.02Å; V1057-E1061 HydrophobicContact CG1-CB 3.69Å; V1057-E1061 HydrophobicContact CG1-CG 3.61Å; V1057-W1062 HydrophobicContact CB-CE3 4.33Å; V1057-W1062 HydrophobicContact CG1-CB 4.29Å; V1057-W1062 HydrophobicContact CG1-CE3 4.34Å; V1057-Y1065 HydrophobicContact CG1-CE2 4.43Å
1058	Q	84.2	Confident	86	Confident	149 Å²	149	77.8 Å²	77.8	70%	0.696	36%	0.358	S	S	*	.			trans	-63.5	146	177.3	-63.8	-176.3	5.5	0	0	111	K1060 E1061 W1062	Q1058-K1060 PolarHBondContact O-N 2.95Å; Q1058-K1060 VanDerWaalsContact O-N 3.16Å; Q1058-E1061 PolarHBondContact O-N 3.43Å; Q1058-W1062 PolarHBondContact O-N 3.28Å
1059	D	85.4	Confident	85.9	Confident	116 Å²	116	77.5 Å²	77.5	62%	0.62	36%	0.358	S	S	*	.	H	α-helix	trans	-52.5	-42.5	-177.8	-64.5	-35.9	0	0	0	112.7	Q1052 E1061 W1062 E1063	Q1052-D1059 PolarHBondContact NE2-OD1 2.9Å; D1059-E1061 VanDerWaalsContact C-N 3.26Å; D1059-E1061 PolarHBondContact O-N 3.37Å; D1059-W1062 WeakPolarHBondContact O-CB 3.22Å; D1059-W1062 PolarHBondContact O-N 2.91Å; D1059-W1062 VanDerWaalsContact O-N 3.16Å; D1059-E1063 WeakPolarHBondContact O-CG 3.44Å; D1059-E1063 PolarHBondContact O-N 3.46Å; D1059-E1063 VanDerWaalsContact O-N 3.08Å
1060	K	81.9	Confident	85.7	Confident	165 Å²	165	72.8 Å²	72.8	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-62.9	-30	178.7	-166.2	178.3	-176.6	-179.1	0	113.8	Q1058 N1064	Q1058-K1060 PolarHBondContact O-N 2.95Å; Q1058-K1060 VanDerWaalsContact O-N 3.16Å; K1060-N1064 PolarHBondContact O-ND2 3.2Å; K1060-N1064 VanDerWaalsContact O-ND2 3.15Å
1061	E	81.8	Confident	85.1	Confident	58 Å²	58	71.1 Å²	71.1	27%	0.271	34%	0.335	S	S	.	.	H	α-helix	trans	-82.1	-38	175.9	176.7	167.6	-173.8	0	0	110.9	V1057 Q1058 D1059 E1063 N1064 Y1065 K1107	V1057-E1061 HydrophobicContact CG1-CB 3.69Å; V1057-E1061 HydrophobicContact CG1-CG 3.61Å; Q1058-E1061 PolarHBondContact O-N 3.43Å; D1059-E1061 VanDerWaalsContact C-N 3.26Å; D1059-E1061 PolarHBondContact O-N 3.37Å; E1061-E1063 VanDerWaalsContact C-N 3.28Å; E1061-E1063 PolarHBondContact O-N 3.27Å; E1061-N1064 PolarHBondContact O-N 3.48Å; E1061-N1064 VanDerWaalsContact O-N 3.13Å; E1061-Y1065 HydrophobicContact CG-CE2 3.97Å; E1061-Y1065 VanDerWaalsContact O-CD2 3.31Å; E1061-Y1065 WeakPolarHBondContact O-CD2 3.49Å; E1061-K1107 WeakPolarHBondContact OE1-CE 3.38Å; E1061-K1107 IonicContact OE1-NZ 3.38Å; E1061-K1107 PolarHBondContact OE1-NZ 3.13Å; E1061-K1107 IonicContact OE2-NZ 3.23Å; E1061-K1107 PolarHBondContact OE2-NZ 2.95Å
1062	W	88.2	Confident	83.9	Confident	28 Å²	28	77.1 Å²	77.1	11%	0.106	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-32.1	178	-170	-107.5	0	0	0	113.4	K1048 I1051 Q1052 L1055 V1057 Q1058 D1059 N1064 Y1065 F1067	K1048-W1062 HydrophobicContact CB-CZ2 4.07Å; K1048-W1062 VanDerWaalsContact O-CZ2 3.23Å; K1048-W1062 WeakPolarHBondContact O-CZ2 3.33Å; I1051-W1062 HydrophobicContact CB-CH2 4.07Å; I1051-W1062 HydrophobicContact CG2-CH2 3.63Å; I1051-W1062 HydrophobicContact CG2-CZ3 4.33Å; Q1052-W1062 HydrophobicContact CB-CD2 3.8Å; Q1052-W1062 HydrophobicContact CB-CE3 4.04Å; Q1052-W1062 HydrophobicContact CB-CG 4.39Å; Q1052-W1062 HydrophobicContact CB-CH2 3.98Å; Q1052-W1062 HydrophobicContact CB-CZ2 3.73Å; Q1052-W1062 HydrophobicContact CB-CZ3 4.14Å; Q1052-W1062 VanDerWaalsContact CD-CG 3.49Å; Q1052-W1062 HydrophobicContact CG-CB 4.26Å; Q1052-W1062 HydrophobicContact CG-CD2 3.54Å; Q1052-W1062 HydrophobicContact CG-CE3 3.85Å; Q1052-W1062 HydrophobicContact CG-CG 3.73Å; Q1052-W1062 HydrophobicContact CG-CZ2 4.42Å; Q1052-W1062 HydrophobicContact CG-CZ3 4.42Å; L1055-W1062 HydrophobicContact CD1-CZ3 4.12Å; V1057-W1062 HydrophobicContact CB-CE3 4.33Å; V1057-W1062 HydrophobicContact CG1-CB 4.29Å; V1057-W1062 HydrophobicContact CG1-CE3 4.34Å; Q1058-W1062 PolarHBondContact O-N 3.28Å; D1059-W1062 WeakPolarHBondContact O-CB 3.22Å; D1059-W1062 PolarHBondContact O-N 2.91Å; D1059-W1062 VanDerWaalsContact O-N 3.16Å; W1062-N1064 PolarHBondContact O-N 3.29Å; W1062-N1064 VanDerWaalsContact O-N 3.14Å; W1062-Y1065 HydrophobicContact CE3-CD1 4.06Å; W1062-Y1065 HydrophobicContact CE3-CE1 4.32Å; W1062-Y1065 HydrophobicContact CE3-CG 4.19Å; W1062-Y1065 AromaticContact CZ3-CD1 3.91Å; W1062-Y1065 HydrophobicContact CZ3-CD1 3.91Å; W1062-Y1065 HydrophobicContact CZ3-CE1 4.13Å; W1062-Y1065 HydrophobicContact CZ3-CG 4.46Å; W1062-Y1065 WeakPolarHBondContact O-CB 3.29Å; W1062-Y1065 PolarHBondContact O-N 3.41Å; W1062-Y1065 VanDerWaalsContact O-N 3.09Å; W1062-F1067 HydrophobicContact CD2-CZ 4.16Å; W1062-F1067 AromaticContact CE2-CZ 3.51Å; W1062-F1067 AromaticContact CH2-CE1 3.51Å; W1062-F1067 HydrophobicContact CH2-CE1 3.51Å; W1062-F1067 AromaticContact CH2-CZ 3.76Å; W1062-F1067 HydrophobicContact CH2-CZ 3.76Å; W1062-F1067 AromaticContact CZ2-CE1 3.42Å; W1062-F1067 HydrophobicContact CZ2-CE1 3.42Å; W1062-F1067 VanDerWaalsContact CZ2-CE1 3.42Å; W1062-F1067 HydrophobicContact CZ2-CE2 4.47Å; W1062-F1067 AromaticContact CZ2-CZ 3.29Å; W1062-F1067 HydrophobicContact CZ2-CZ 3.29Å; W1062-F1067 HydrophobicContact CZ3-CE1 4.27Å; W1062-F1067 HydrophobicContact CZ3-CZ 4.34Å; W1062-F1067 AromaticContact NE1-CZ 3.95Å
1063	E	83.9	Confident	82.4	Confident	156 Å²	156	79.8 Å²	79.8	73%	0.729	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	174.2	-75.9	173.3	-175.5	0	0	113.7	D1059 E1061	D1059-E1063 WeakPolarHBondContact O-CG 3.44Å; D1059-E1063 PolarHBondContact O-N 3.46Å; D1059-E1063 VanDerWaalsContact O-N 3.08Å; E1061-E1063 VanDerWaalsContact C-N 3.28Å; E1061-E1063 PolarHBondContact O-N 3.27Å
1064	N	83.6	Confident	81.3	Confident	123 Å²	123	77.7 Å²	77.7	66%	0.658	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-2.3	-179.2	-59.3	-62.4	0	0	0	113.5	K1060 E1061 W1062	K1060-N1064 PolarHBondContact O-ND2 3.2Å; K1060-N1064 VanDerWaalsContact O-ND2 3.15Å; E1061-N1064 PolarHBondContact O-N 3.48Å; E1061-N1064 VanDerWaalsContact O-N 3.13Å; W1062-N1064 PolarHBondContact O-N 3.29Å; W1062-N1064 VanDerWaalsContact O-N 3.14Å
1065	Y	88.6	Confident	80.8	Confident	22 Å²	22	79.5 Å²	79.5	9%	0.086	41%	0.411	C	S	.	.			trans	-82.4	135.2	-179	-79.7	-129.4	0	0	0	110.1	V1057 E1061 W1062 F1067 L1102 H1104	V1057-Y1065 HydrophobicContact CG1-CE2 4.43Å; E1061-Y1065 HydrophobicContact CG-CE2 3.97Å; E1061-Y1065 VanDerWaalsContact O-CD2 3.31Å; E1061-Y1065 WeakPolarHBondContact O-CD2 3.49Å; W1062-Y1065 HydrophobicContact CE3-CD1 4.06Å; W1062-Y1065 HydrophobicContact CE3-CE1 4.32Å; W1062-Y1065 HydrophobicContact CE3-CG 4.19Å; W1062-Y1065 AromaticContact CZ3-CD1 3.91Å; W1062-Y1065 HydrophobicContact CZ3-CD1 3.91Å; W1062-Y1065 HydrophobicContact CZ3-CE1 4.13Å; W1062-Y1065 HydrophobicContact CZ3-CG 4.46Å; W1062-Y1065 WeakPolarHBondContact O-CB 3.29Å; W1062-Y1065 PolarHBondContact O-N 3.41Å; W1062-Y1065 VanDerWaalsContact O-N 3.09Å; Y1065-F1067 HydrophobicContact CG-CZ 4.45Å; Y1065-F1067 WeakPolarHBondContact O-CE2 3.41Å; Y1065-L1102 HydrophobicContact CD1-CB 4.28Å; Y1065-L1102 HydrophobicContact CE1-CB 4.5Å; Y1065-H1104 HydrophobicContact CD1-CB 4.22Å; Y1065-H1104 AromaticContact CD1-CD2 3.79Å; Y1065-H1104 HydrophobicContact CD2-CB 3.97Å; Y1065-H1104 HydrophobicContact CE1-CB 4.1Å; Y1065-H1104 AromaticContact CE1-CD2 3.18Å; Y1065-H1104 WeakPolarHBondContact CE1-CD2 3.47Å; Y1065-H1104 AromaticContact CE1-CG 3.64Å; Y1065-H1104 AromaticContact CE1-NE2 3.58Å; Y1065-H1104 HydrophobicContact CE2-CB 3.82Å; Y1065-H1104 AromaticContact CE2-CG 3.93Å; Y1065-H1104 HydrophobicContact CG-CB 4.15Å; Y1065-H1104 AromaticContact CZ-CD2 3.5Å; Y1065-H1104 VanDerWaalsContact CZ-CD2 3.5Å; Y1065-H1104 AromaticContact CZ-CE1 3.9Å; Y1065-H1104 AromaticContact CZ-CG 3.48Å; Y1065-H1104 VanDerWaalsContact CZ-CG 3.48Å; Y1065-H1104 AromaticContact CZ-ND1 3.76Å; Y1065-H1104 AromaticContact CZ-NE2 3.75Å; Y1065-H1104 PolarHBondContact OH-CE1 2.67Å; Y1065-H1104 VanDerWaalsContact OH-CE1 3.3Å; Y1065-H1104 PolarHBondContact OH-ND1 3.36Å; Y1065-H1104 PolarHBondContact OH-NE2 3.04Å
1066	K	87.9	Confident	80.3	Confident	141 Å²	141	79.4 Å²	79.4	61%	0.613	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.2	166.5	-53.3	175.4	-179.4	175.1	0	109.9	D1103	K1066-D1103 HydrophobicContact CB-CB 4.08Å; K1066-D1103 PolarHBondContact N-O 3.07Å; K1066-D1103 PolarHBondContact O-N 3.26Å
1067	F	89.6	Confident	80.1	Confident	20 Å²	20	80.2 Å²	80.2	9%	0.088	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.4	-171.5	-54.7	-85.4	0	0	0	110.3	K1048 W1062 Y1065 V1078 F1100 L1102	K1048-F1067 HydrophobicContact CD-CD1 4.38Å; K1048-F1067 HydrophobicContact CD-CD2 3.76Å; K1048-F1067 HydrophobicContact CD-CE2 3.93Å; K1048-F1067 HydrophobicContact CD-CG 4Å; K1048-F1067 HydrophobicContact CD-CZ 4.31Å; K1048-F1067 VanDerWaalsContact CE-CD2 3.42Å; K1048-F1067 HydrophobicContact CG-CD1 4.13Å; K1048-F1067 HydrophobicContact CG-CD2 4.39Å; K1048-F1067 HydrophobicContact CG-CE1 4.21Å; K1048-F1067 HydrophobicContact CG-CE2 4.47Å; K1048-F1067 HydrophobicContact CG-CG 4.23Å; K1048-F1067 HydrophobicContact CG-CZ 4.38Å; W1062-F1067 HydrophobicContact CD2-CZ 4.16Å; W1062-F1067 AromaticContact CE2-CZ 3.51Å; W1062-F1067 AromaticContact CH2-CE1 3.51Å; W1062-F1067 HydrophobicContact CH2-CE1 3.51Å; W1062-F1067 AromaticContact CH2-CZ 3.76Å; W1062-F1067 HydrophobicContact CH2-CZ 3.76Å; W1062-F1067 AromaticContact CZ2-CE1 3.42Å; W1062-F1067 HydrophobicContact CZ2-CE1 3.42Å; W1062-F1067 VanDerWaalsContact CZ2-CE1 3.42Å; W1062-F1067 HydrophobicContact CZ2-CE2 4.47Å; W1062-F1067 AromaticContact CZ2-CZ 3.29Å; W1062-F1067 HydrophobicContact CZ2-CZ 3.29Å; W1062-F1067 HydrophobicContact CZ3-CE1 4.27Å; W1062-F1067 HydrophobicContact CZ3-CZ 4.34Å; W1062-F1067 AromaticContact NE1-CZ 3.95Å; Y1065-F1067 HydrophobicContact CG-CZ 4.45Å; Y1065-F1067 WeakPolarHBondContact O-CE2 3.41Å; F1067-V1078 PolarHBondContact O-N 3.33Å; F1067-V1078 VanDerWaalsContact O-N 3.09Å; F1067-F1100 HydrophobicContact CB-CE1 4.4Å; F1067-F1100 HydrophobicContact CB-CE2 4.49Å; F1067-F1100 HydrophobicContact CB-CZ 3.83Å; F1067-F1100 AromaticContact CD1-CE1 3.83Å; F1067-F1100 HydrophobicContact CD1-CE1 3.83Å; F1067-F1100 HydrophobicContact CD1-CZ 4.03Å; F1067-F1100 HydrophobicContact CG-CZ 4.3Å; F1067-L1102 HydrophobicContact CD1-CD2 3.55Å; F1067-L1102 HydrophobicContact CE1-CD2 3.67Å
1068	C	87.4	Confident	79.9	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.061	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.5	-179.8	56.1	0	0	0	0	111.4	F1022 A1076 G1101	F1022-C1068 VanDerWaalsContact CZ-SG 3.5Å; C1068-A1076 WeakPolarHBondContact CA-O 2.97Å; C1068-G1101 PolarHBondContact N-O 2.99Å; C1068-G1101 PolarHBondContact O-N 3.45Å
1069	V	86.8	Confident	79.8	Confident	13 Å²	13	78 Å²	78	8%	0.079	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125	164.5	-171.7	0	0	0	0	108	Y1044 A1076 V1078 V1088 Y1089 F1100	Y1044-V1069 HydrophobicContact CE1-CG2 4.26Å; Y1044-V1069 WeakPolarHBondContact OH-CG2 3.43Å; V1069-A1076 PolarHBondContact N-O 3.27Å; V1069-A1076 PolarHBondContact O-N 3.04Å; V1069-V1078 HydrophobicContact CG2-CG2 3.52Å; V1069-V1088 HydrophobicContact CG1-CG1 3.8Å; V1069-Y1089 HydrophobicContact CG1-CE1 4.03Å; V1069-Y1089 HydrophobicContact CG1-CE2 4.43Å; V1069-Y1089 VanDerWaalsContact CG2-OH 3.3Å; V1069-Y1089 WeakPolarHBondContact CG2-OH 3.09Å; V1069-F1100 HydrophobicContact CG2-CD2 4.43Å
1070	I	83.3	Confident	79.6	Confident	13 Å²	13	76.7 Å²	76.7	7%	0.067	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.6	-174.8	-61.6	153.7	0	0	0	108.8	F1022 L1026 P1098 F1099	F1022-I1070 HydrophobicContact CD1-CD1 4.45Å; F1022-I1070 HydrophobicContact CE1-CD1 3.97Å; F1022-I1070 HydrophobicContact CZ-CD1 4.5Å; L1026-I1070 HydrophobicContact CD1-CG2 3.93Å; L1026-I1070 HydrophobicContact CD2-CD1 3.27Å; L1026-I1070 HydrophobicContact CD2-CG1 3.78Å; L1026-I1070 HydrophobicContact CD2-CG2 4.1Å; I1070-P1098 VanDerWaalsContact O-CA 3.25Å; I1070-P1098 WeakPolarHBondContact O-CA 3.13Å; I1070-P1098 WeakPolarHBondContact O-CB 3.42Å; I1070-F1099 HydrophobicContact CB-CD1 4.33Å; I1070-F1099 HydrophobicContact CB-CE1 4.04Å; I1070-F1099 HydrophobicContact CB-CE2 4.41Å; I1070-F1099 HydrophobicContact CB-CZ 4.09Å; I1070-F1099 HydrophobicContact CD1-CD2 3.93Å; I1070-F1099 HydrophobicContact CD1-CE1 4.2Å; I1070-F1099 HydrophobicContact CD1-CE2 3.23Å; I1070-F1099 HydrophobicContact CD1-CZ 3.4Å; I1070-F1099 VanDerWaalsContact CD1-CZ 3.4Å; I1070-F1099 HydrophobicContact CG1-CE2 4.42Å; I1070-F1099 HydrophobicContact CG1-CZ 4.35Å; I1070-F1099 HydrophobicContact CG2-CD1 4.35Å; I1070-F1099 HydrophobicContact CG2-CE1 3.71Å; I1070-F1099 HydrophobicContact CG2-CZ 3.94Å; I1070-F1099 PolarHBondContact N-O 2.98Å; I1070-F1099 PolarHBondContact O-N 3.49Å
1071	S	76.9	Confident	79.5	Confident	32 Å²	32	76.2 Å²	76.2	22%	0.224	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.4	173.5	-172.8	0	0	0	0	109.6	G1073 H1074	S1071-G1073 PolarHBondContact O-N 3.24Å; S1071-H1074 PolarHBondContact N-O 2.85Å; S1071-H1074 PolarHBondContact O-N 3.49Å; S1071-H1074 VanDerWaalsContact O-N 3.16Å
1072	M	64	Low	79.6	Confident	125 Å²	125	76.2 Å²	76.2	62%	0.616	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	108.9	-175.7	-80.7	-69.1	-73.8	0	0	111.2
1073	G	57.2	Low	79.4	Confident	84 Å²	84	78.8 Å²	78.8	87%	0.866	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-1.7	176.8	0	0	0	0	0	115.9	S1071	S1071-G1073 PolarHBondContact O-N 3.24Å
1074	H	62.3	Low	79.5	Confident	135 Å²	135	71.4 Å²	71.4	63%	0.625	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.7	118.8	177.3	-155.9	-73.9	0	0	0	111.9	S1071	S1071-H1074 PolarHBondContact N-O 2.85Å; S1071-H1074 PolarHBondContact O-N 3.49Å; S1071-H1074 VanDerWaalsContact O-N 3.16Å
1075	N	72.3	Confident	79.6	Confident	98 Å²	98	68.4 Å²	68.4	52%	0.524	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.3	167.7	-66.1	-23.2	0	0	0	107.2
1076	A	74.6	Confident	79.3	Confident	37 Å²	37	67.4 Å²	67.4	31%	0.306	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118	178.2	0	0	0	0	0	109.8	C1068 V1069	C1068-A1076 WeakPolarHBondContact CA-O 2.97Å; V1069-A1076 PolarHBondContact N-O 3.27Å; V1069-A1076 PolarHBondContact O-N 3.04Å
1077	D	78.1	Confident	78.9	Confident	135 Å²	135	67.5 Å²	67.5	72%	0.722	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.1	169	-74.2	-27.2	0	0	0	110.4
1078	V	81.1	Confident	78.4	Confident	11 Å²	11	68.9 Å²	68.9	7%	0.067	39%	0.394	C	S	.	.			trans	-114.5	114.3	-169.6	-175.2	0	0	0	0	111.9	Y1044 K1048 F1067 V1069 F1100	Y1044-V1078 HydrophobicContact CD1-CG1 3.56Å; Y1044-V1078 HydrophobicContact CD2-CG1 3.24Å; Y1044-V1078 HydrophobicContact CE1-CG1 4.13Å; Y1044-V1078 HydrophobicContact CE2-CG1 3.85Å; Y1044-V1078 HydrophobicContact CG-CG1 3.1Å; K1048-V1078 PolarHBondContact NZ-O 3.46Å; F1067-V1078 PolarHBondContact O-N 3.33Å; F1067-V1078 VanDerWaalsContact O-N 3.09Å; V1069-V1078 HydrophobicContact CG2-CG2 3.52Å; V1078-F1100 HydrophobicContact CG2-CE2 4.23Å
1079	N	80.9	Confident	77.9	Confident	117 Å²	117	68.6 Å²	68.6	63%	0.626	39%	0.391	S	S	*	.			trans	-82.4	153	169.9	-66.9	-18.1	0	0	0	111.4	N1081 T1082	N1079-N1081 PolarHBondContact O-N 3.38Å; N1079-T1082 WeakPolarHBondContact O-CB 3.48Å; N1079-T1082 PolarHBondContact O-N 3.15Å; N1079-T1082 VanDerWaalsContact O-N 3.1Å; N1079-T1082 PolarHBondContact O-OG1 3.13Å
1080	D	80.6	Confident	77.2	Confident	88 Å²	88	74.2 Å²	74.2	47%	0.471	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.9	-174.1	-69.8	-7.6	0	0	0	113.8	P1043 Y1044 G1045 K1048	P1043-D1080 WeakPolarHBondContact CB-O 3.15Å; Y1044-D1080 PolarHBondContact N-O 2.87Å; G1045-D1080 PolarHBondContact N-O 3.28Å; K1048-D1080 WeakPolarHBondContact CD-OD1 3.44Å; K1048-D1080 WeakPolarHBondContact CE-OD1 3.49Å; K1048-D1080 IonicContact NZ-OD1 3.97Å; K1048-D1080 PolarHBondContact NZ-OD1 2.78Å
1081	N	80.3	Confident	76.2	Confident	155 Å²	155	75.9 Å²	75.9	83%	0.829	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.2	179.8	-65.3	-28.2	0	0	0	113.6	N1079	N1079-N1081 PolarHBondContact O-N 3.38Å
1082	T	83.4	Confident	75.2	Confident	58 Å²	58	83.8 Å²	83.8	36%	0.356	45%	0.449	S	S	.	.	S	Bend	trans	-69	130	177.9	-56.7	0	0	0	0	108.8	Y1044 N1079	Y1044-T1082 HydrophobicContact CD2-CG2 4.09Å; Y1044-T1082 VanDerWaalsContact CD2-O 3.23Å; Y1044-T1082 WeakPolarHBondContact CD2-O 3.48Å; Y1044-T1082 HydrophobicContact CE2-CG2 4.2Å; Y1044-T1082 PolarHBondContact N-O 2.83Å; N1079-T1082 WeakPolarHBondContact O-CB 3.48Å; N1079-T1082 PolarHBondContact O-N 3.15Å; N1079-T1082 VanDerWaalsContact O-N 3.1Å; N1079-T1082 PolarHBondContact O-OG1 3.13Å
1083	P	85.2	Confident	74.6	Confident	83 Å²	83	80.5 Å²	80.5	54%	0.539	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-72.9	140	175.3	28.5	-32.4	0	0	0	110.7	E1042 D1085	E1042-P1083 CarbonylContact O-C 3.59Å; E1042-P1083 WeakPolarHBondContact O-CA 3.49Å; P1083-D1085 PolarHBondContact O-N 2.63Å
1084	V	86	Confident	74	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.006	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-69.3	123.7	173.5	175.7	0	0	0	0	109.3	A1038 G1041 E1042 Y1044 L1047 L1086 Y1089	A1038-V1084 HydrophobicContact CB-CG1 4.23Å; G1041-V1084 PolarHBondContact N-O 3.4Å; E1042-V1084 HydrophobicContact CG-CB 4.24Å; E1042-V1084 HydrophobicContact CG-CG2 3.85Å; E1042-V1084 VanDerWaalsContact O-CG2 3.3Å; E1042-V1084 WeakPolarHBondContact O-CG2 3.4Å; E1042-V1084 PolarHBondContact O-N 3.45Å; Y1044-V1084 HydrophobicContact CD1-CG2 3.71Å; Y1044-V1084 HydrophobicContact CD2-CG2 3.91Å; Y1044-V1084 HydrophobicContact CE1-CG2 3.72Å; Y1044-V1084 HydrophobicContact CE2-CB 4.35Å; Y1044-V1084 HydrophobicContact CE2-CG2 3.93Å; Y1044-V1084 HydrophobicContact CG-CG2 3.79Å; L1047-V1084 HydrophobicContact CD2-CG2 4.14Å; V1084-L1086 HydrophobicContact CG1-CD2 3.87Å; V1084-Y1089 HydrophobicContact CG1-CE2 4.49Å
1085	D	84.3	Confident	73.7	Confident	60 Å²	60	78.2 Å²	78.2	32%	0.321	43%	0.431	S	S	.	.			trans	-104.7	113.1	170	-176.3	15.5	0	0	0	110.4	Q1040 P1083 E1087 V1088 Y1089	Q1040-D1085 PolarHBondContact NE2-OD1 3.26Å; P1083-D1085 PolarHBondContact O-N 2.63Å; D1085-E1087 VanDerWaalsContact C-N 3.3Å; D1085-E1087 PolarHBondContact OD1-N 2.99Å; D1085-E1087 VanDerWaalsContact OD1-N 3.15Å; D1085-V1088 HydrophobicContact CB-CG2 4.19Å; D1085-Y1089 WeakPolarHBondContact O-CD2 3.21Å
1086	L	83.3	Confident	73.1	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-74.9	-18.9	-178.9	-58.8	179.6	0	0	0	112.5	N1013 F1015 A1038 Q1040 V1084 V1088 Y1089 R1090	N1013-L1086 WeakPolarHBondContact O-CD1 3.41Å; F1015-L1086 HydrophobicContact CB-CD1 3.9Å; F1015-L1086 HydrophobicContact CB-CD2 4.01Å; F1015-L1086 HydrophobicContact CB-CG 4.41Å; A1038-L1086 HydrophobicContact CB-CD2 4.03Å; Q1040-L1086 HydrophobicContact CB-CD1 4Å; Q1040-L1086 HydrophobicContact CB-CG 4.26Å; V1084-L1086 HydrophobicContact CG1-CD2 3.87Å; L1086-V1088 PolarHBondContact O-N 2.87Å; L1086-Y1089 PolarHBondContact O-N 3.21Å; L1086-R1090 VanDerWaalsContact O-CG 3.28Å; L1086-R1090 WeakPolarHBondContact O-CG 3.49Å; L1086-R1090 PolarHBondContact O-N 3.22Å
1087	E	79.3	Confident	72.9	Confident	144 Å²	144	80 Å²	80	67%	0.673	43%	0.431	S	S	*	.	H	α-helix	trans	-62	-35.2	176.9	-68.3	-166.2	170.5	0	0	111.5	D1085 Y1089 R1090 S1091	D1085-E1087 VanDerWaalsContact C-N 3.3Å; D1085-E1087 PolarHBondContact OD1-N 2.99Å; D1085-E1087 VanDerWaalsContact OD1-N 3.15Å; E1087-Y1089 VanDerWaalsContact C-N 3.31Å; E1087-Y1089 PolarHBondContact O-N 2.67Å; E1087-R1090 PolarHBondContact O-N 3.3Å; E1087-R1090 VanDerWaalsContact O-N 3.16Å; E1087-S1091 PolarHBondContact O-N 3.33Å
1088	V	78.7	Confident	73.1	Confident	49 Å²	49	73.8 Å²	73.8	30%	0.297	40%	0.398	S	S	.	.	H	α-helix	trans	-57.5	-44.1	174.8	-178.9	0	0	0	0	111.3	V1069 D1085 L1086 S1091 P1098	V1069-V1088 HydrophobicContact CG1-CG1 3.8Å; D1085-V1088 HydrophobicContact CB-CG2 4.19Å; L1086-V1088 PolarHBondContact O-N 2.87Å; V1088-S1091 PolarHBondContact O-OG 3.08Å; V1088-P1098 WeakPolarHBondContact O-CG 3.31Å
1089	Y	76.7	Confident	73.3	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.008	40%	0.397	C	S	.	.	H	α-helix	trans	-81.9	-14.9	-179.4	-59.7	-84.9	0	0	0	114	I1017 Y1044 V1069 V1084 D1085 L1086 E1087 P1098 F1100	I1017-Y1089 HydrophobicContact CB-CD1 4.04Å; I1017-Y1089 HydrophobicContact CB-CE1 4.3Å; I1017-Y1089 HydrophobicContact CB-CG 4.33Å; I1017-Y1089 HydrophobicContact CD1-CE1 4.43Å; I1017-Y1089 HydrophobicContact CG2-CD1 3.83Å; I1017-Y1089 HydrophobicContact CG2-CD2 3.89Å; I1017-Y1089 HydrophobicContact CG2-CE1 4.29Å; I1017-Y1089 HydrophobicContact CG2-CE2 4.36Å; I1017-Y1089 HydrophobicContact CG2-CG 3.6Å; Y1044-Y1089 WeakPolarHBondContact OH-CE2 3.13Å; Y1044-Y1089 PolarHBondContact OH-OH 3.37Å; V1069-Y1089 HydrophobicContact CG1-CE1 4.03Å; V1069-Y1089 HydrophobicContact CG1-CE2 4.43Å; V1069-Y1089 VanDerWaalsContact CG2-OH 3.3Å; V1069-Y1089 WeakPolarHBondContact CG2-OH 3.09Å; V1084-Y1089 HydrophobicContact CG1-CE2 4.49Å; D1085-Y1089 WeakPolarHBondContact O-CD2 3.21Å; L1086-Y1089 PolarHBondContact O-N 3.21Å; E1087-Y1089 VanDerWaalsContact C-N 3.31Å; E1087-Y1089 PolarHBondContact O-N 2.67Å; Y1089-P1098 HydrophobicContact CD1-CB 4.48Å; Y1089-F1100 HydrophobicContact CE1-CB 4.41Å
1090	R	73.7	Confident	73.8	Confident	131 Å²	131	68.3 Å²	68.3	49%	0.494	37%	0.368	S	S	.	.	H	α-helix	trans	-88.6	-20.4	175.5	-71	173.4	-178.3	-170.2	1.4	112.6	F1015 L1086 E1087 W1092	F1015-R1090 HydrophobicContact CE2-CG 4.32Å; F1015-R1090 HydrophobicContact CZ-CG 4.35Å; L1086-R1090 VanDerWaalsContact O-CG 3.28Å; L1086-R1090 WeakPolarHBondContact O-CG 3.49Å; L1086-R1090 PolarHBondContact O-N 3.22Å; E1087-R1090 PolarHBondContact O-N 3.3Å; E1087-R1090 VanDerWaalsContact O-N 3.16Å; R1090-W1092 PolarHBondContact O-N 2.77Å
1091	S	62.5	Low	74.3	Confident	49 Å²	49	64.1 Å²	64.1	34%	0.343	35%	0.345	S	S	.	.			trans	-72.6	109.4	-179	68.9	0	0	0	0	112	E1087 V1088 T1093 P1098	E1087-S1091 PolarHBondContact O-N 3.33Å; V1088-S1091 PolarHBondContact O-OG 3.08Å; S1091-T1093 PolarHBondContact O-N 3.42Å; S1091-P1098 WeakPolarHBondContact O-CG 3.34Å
1092	W	54.9	Low	74.8	Confident	198 Å²	198	56.7 Å²	56.7	75%	0.75	31%	0.306	S	S	*	.			trans	-88.5	101.4	176.7	-156	-15.6	0	0	0	109.1	R1090	R1090-W1092 PolarHBondContact O-N 2.77Å
1093	T	51.2	Low	75.1	Confident	55 Å²	55	55.4 Å²	55.4	34%	0.337	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-110.3	122.5	175.8	48.6	0	0	0	0	109.8	S1091 G1095 Q1096	S1091-T1093 PolarHBondContact O-N 3.42Å; T1093-G1095 VanDerWaalsContact C-N 3.31Å; T1093-G1095 PolarHBondContact O-N 3.34Å; T1093-Q1096 PolarHBondContact O-N 2.69Å
1094	S	44.5	Very low	75.2	Confident	119 Å²	119	52.7 Å²	52.7	83%	0.832	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	38.7	167.2	-53.8	0	0	0	0	117.1
1095	G	55.3	Low	75	Confident	53 Å²	53	58.4 Å²	58.4	55%	0.546	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	5.3	167.3	0	0	0	0	0	117.2	T1093	T1093-G1095 VanDerWaalsContact C-N 3.31Å; T1093-G1095 PolarHBondContact O-N 3.34Å
1096	Q	60	Low	74.7	Confident	117 Å²	117	57.8 Å²	57.8	55%	0.547	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-118.4	133.8	169	-71.5	-169.9	-9.2	0	0	111	T1093	T1093-Q1096 PolarHBondContact O-N 2.69Å
1097	L	70.4	Confident	74	Confident	56 Å²	56	64.8 Å²	64.8	29%	0.293	33%	0.333	S	S	.	.			trans	-78.7	129.1	173	-94.6	131.3	0	0	0	109.7	V969	V969-L1097 WeakPolarHBondContact O-CD1 3.41Å
1098	P	82.1	Confident	73	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.019	33%	0.325	C	S	.	.			trans	-57.8	140.9	170.6	-23.2	34.3	0	0	0	110.8	P1018 I1070 V1088 Y1089 S1091	P1018-P1098 VanDerWaalsContact CG-O 3.25Å; P1018-P1098 WeakPolarHBondContact CG-O 3.45Å; I1070-P1098 VanDerWaalsContact O-CA 3.25Å; I1070-P1098 WeakPolarHBondContact O-CA 3.13Å; I1070-P1098 WeakPolarHBondContact O-CB 3.42Å; V1088-P1098 WeakPolarHBondContact O-CG 3.31Å; Y1089-P1098 HydrophobicContact CD1-CB 4.48Å; S1091-P1098 WeakPolarHBondContact O-CG 3.34Å
1099	F	86.9	Confident	71.4	Confident	13 Å²	13	71 Å²	71	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.7	-177.5	68.7	-86	0	0	0	111.9	K967 P1018 A1020 L1026 I1070	K967-F1099 HydrophobicContact CD-CD1 4.49Å; K967-F1099 HydrophobicContact CD-CE1 3.8Å; K967-F1099 HydrophobicContact CD-CZ 3.87Å; K967-F1099 HydrophobicContact CG-CZ 4.47Å; P1018-F1099 HydrophobicContact CB-CB 4.12Å; P1018-F1099 HydrophobicContact CG-CB 3.78Å; P1018-F1099 WeakPolarHBondContact O-CA 3.45Å; P1018-F1099 WeakPolarHBondContact O-CB 3.26Å; A1020-F1099 HydrophobicContact CB-CD2 3.71Å; A1020-F1099 HydrophobicContact CB-CE2 3.77Å; L1026-F1099 HydrophobicContact CD2-CZ 4.39Å; I1070-F1099 HydrophobicContact CB-CD1 4.33Å; I1070-F1099 HydrophobicContact CB-CE1 4.04Å; I1070-F1099 HydrophobicContact CB-CE2 4.41Å; I1070-F1099 HydrophobicContact CB-CZ 4.09Å; I1070-F1099 HydrophobicContact CD1-CD2 3.93Å; I1070-F1099 HydrophobicContact CD1-CE1 4.2Å; I1070-F1099 HydrophobicContact CD1-CE2 3.23Å; I1070-F1099 HydrophobicContact CD1-CZ 3.4Å; I1070-F1099 VanDerWaalsContact CD1-CZ 3.4Å; I1070-F1099 HydrophobicContact CG1-CE2 4.42Å; I1070-F1099 HydrophobicContact CG1-CZ 4.35Å; I1070-F1099 HydrophobicContact CG2-CD1 4.35Å; I1070-F1099 HydrophobicContact CG2-CE1 3.71Å; I1070-F1099 HydrophobicContact CG2-CZ 3.94Å; I1070-F1099 PolarHBondContact N-O 2.98Å; I1070-F1099 PolarHBondContact O-N 3.49Å
1100	F	90.2	Very high	69.7	Low	0 Å²	0	79 Å²	79	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.5	174.4	-168.7	-108.1	0	0	0	109.2	I1017 P1018 V1019 A1020 Y1044 K1048 I1051 F1067 V1069 V1078 Y1089 L1102	I1017-F1100 HydrophobicContact CD1-CB 4.14Å; P1018-F1100 PolarHBondContact O-N 2.91Å; V1019-F1100 VanDerWaalsContact CA-O 3.32Å; V1019-F1100 WeakPolarHBondContact CA-O 3.27Å; V1019-F1100 HydrophobicContact CG1-CD1 4.45Å; V1019-F1100 HydrophobicContact CG2-CB 4.33Å; A1020-F1100 PolarHBondContact N-O 3.15Å; A1020-F1100 VanDerWaalsContact N-O 3.12Å; Y1044-F1100 HydrophobicContact CD1-CD2 4.39Å; Y1044-F1100 AromaticContact CD1-CE2 3.61Å; Y1044-F1100 HydrophobicContact CD1-CE2 3.61Å; Y1044-F1100 HydrophobicContact CD1-CZ 4.14Å; Y1044-F1100 AromaticContact CE1-CD2 3.93Å; Y1044-F1100 HydrophobicContact CE1-CD2 3.93Å; Y1044-F1100 AromaticContact CE1-CE2 3.56Å; Y1044-F1100 HydrophobicContact CE1-CE2 3.56Å; Y1044-F1100 HydrophobicContact CE1-CZ 4.49Å; K1048-F1100 HydrophobicContact CG-CZ 4.43Å; I1051-F1100 HydrophobicContact CD1-CD1 3.57Å; I1051-F1100 HydrophobicContact CD1-CE1 3.53Å; F1067-F1100 HydrophobicContact CB-CE1 4.4Å; F1067-F1100 HydrophobicContact CB-CE2 4.49Å; F1067-F1100 HydrophobicContact CB-CZ 3.83Å; F1067-F1100 AromaticContact CD1-CE1 3.83Å; F1067-F1100 HydrophobicContact CD1-CE1 3.83Å; F1067-F1100 HydrophobicContact CD1-CZ 4.03Å; F1067-F1100 HydrophobicContact CG-CZ 4.3Å; V1069-F1100 HydrophobicContact CG2-CD2 4.43Å; V1078-F1100 HydrophobicContact CG2-CE2 4.23Å; Y1089-F1100 HydrophobicContact CE1-CB 4.41Å; F1100-L1102 HydrophobicContact CD1-CD2 4.04Å; F1100-L1102 HydrophobicContact CE1-CD2 3.95Å
1101	G	90.5	Very high	68.2	Low	0 Å²	0	84.3 Å²	84.3	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.3	-173.8	0	0	0	0	0	112.9	C1068	C1068-G1101 PolarHBondContact N-O 2.99Å; C1068-G1101 PolarHBondContact O-N 3.45Å
1102	L	91.8	Very high	66.7	Low	0 Å²	0	87.2 Å²	87.2	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	103.2	171.7	-51	-177.8	0	0	0	108.7	V1019 A1020 H1021 F1022 I1051 L1055 Y1065 F1067 F1100	V1019-L1102 HydrophobicContact CG1-CD1 3.58Å; V1019-L1102 HydrophobicContact CG1-CD2 4.14Å; V1019-L1102 HydrophobicContact CG1-CG 3.68Å; A1020-L1102 PolarHBondContact O-N 3.4Å; H1021-L1102 WeakPolarHBondContact CA-O 3.03Å; F1022-L1102 PolarHBondContact N-O 3.48Å; I1051-L1102 HydrophobicContact CG2-CD1 4.06Å; I1051-L1102 HydrophobicContact CG2-CD2 4.33Å; L1055-L1102 HydrophobicContact CD1-CD1 3.74Å; Y1065-L1102 HydrophobicContact CD1-CB 4.28Å; Y1065-L1102 HydrophobicContact CE1-CB 4.5Å; F1067-L1102 HydrophobicContact CD1-CD2 3.55Å; F1067-L1102 HydrophobicContact CE1-CD2 3.67Å; F1100-L1102 HydrophobicContact CD1-CD2 4.04Å; F1100-L1102 HydrophobicContact CE1-CD2 3.95Å
1103	D	88.7	Confident	65.6	Low	31 Å²	31	82.7 Å²	82.7	17%	0.166	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.9	176.4	-175.4	14.7	0	0	0	110	F1022 S1023 K1024 K1066	F1022-D1103 HydrophobicContact CD2-CB 4.45Å; F1022-D1103 HydrophobicContact CE1-CB 3.96Å; F1022-D1103 HydrophobicContact CE2-CB 3.83Å; F1022-D1103 HydrophobicContact CZ-CB 3.57Å; F1022-D1103 VanDerWaalsContact O-CA 3.3Å; F1022-D1103 WeakPolarHBondContact O-CA 3.29Å; S1023-D1103 WeakPolarHBondContact CA-OD1 3.26Å; K1024-D1103 PolarHBondContact N-OD1 2.91Å; K1066-D1103 HydrophobicContact CB-CB 4.08Å; K1066-D1103 PolarHBondContact N-O 3.07Å; K1066-D1103 PolarHBondContact O-N 3.26Å
1104	H	87.8	Confident	64.9	Low	25 Å²	25	87.3 Å²	87.3	12%	0.116	45%	0.452	C	S	.	.			trans	-158.2	171.3	174.5	68.4	95.7	0	0	0	111.9	H1021 F1022 S1023 F1030 Y1065	H1021-H1104 AromaticContact CE1-NE2 3.89Å; H1021-H1104 AromaticContact CG-NE2 3.6Å; H1021-H1104 AromaticContact ND1-CD2 3.79Å; H1021-H1104 AromaticContact ND1-CE1 3.9Å; H1021-H1104 AromaticContact ND1-NE2 2.87Å; H1021-H1104 PolarHBondContact ND1-NE2 2.86Å; F1022-H1104 PolarHBondContact O-N 3.17Å; S1023-H1104 VanDerWaalsContact CB-O 3.26Å; S1023-H1104 WeakPolarHBondContact CB-O 3.48Å; S1023-H1104 PolarHBondContact OG-O 3.37Å; F1030-H1104 WeakPolarHBondContact CE1-O 3.48Å; F1030-H1104 AromaticContact CE2-CE1 3.46Å; F1030-H1104 VanDerWaalsContact CE2-CE1 3.46Å; F1030-H1104 WeakPolarHBondContact CE2-CE1 3.21Å; F1030-H1104 AromaticContact CE2-ND1 3.98Å; F1030-H1104 AromaticContact CE2-NE2 3.98Å; F1030-H1104 AromaticContact CZ-CE1 3.49Å; F1030-H1104 VanDerWaalsContact CZ-CE1 3.49Å; F1030-H1104 WeakPolarHBondContact CZ-CE1 3.27Å; F1030-H1104 AromaticContact CZ-ND1 3.63Å; F1030-H1104 AromaticContact CZ-NE2 3.86Å; F1030-H1104 VanDerWaalsContact CZ-O 3.24Å; F1030-H1104 WeakPolarHBondContact CZ-O 3.29Å; Y1065-H1104 HydrophobicContact CD1-CB 4.22Å; Y1065-H1104 AromaticContact CD1-CD2 3.79Å; Y1065-H1104 HydrophobicContact CD2-CB 3.97Å; Y1065-H1104 HydrophobicContact CE1-CB 4.1Å; Y1065-H1104 AromaticContact CE1-CD2 3.18Å; Y1065-H1104 WeakPolarHBondContact CE1-CD2 3.47Å; Y1065-H1104 AromaticContact CE1-CG 3.64Å; Y1065-H1104 AromaticContact CE1-NE2 3.58Å; Y1065-H1104 HydrophobicContact CE2-CB 3.82Å; Y1065-H1104 AromaticContact CE2-CG 3.93Å; Y1065-H1104 HydrophobicContact CG-CB 4.15Å; Y1065-H1104 AromaticContact CZ-CD2 3.5Å; Y1065-H1104 VanDerWaalsContact CZ-CD2 3.5Å; Y1065-H1104 AromaticContact CZ-CE1 3.9Å; Y1065-H1104 AromaticContact CZ-CG 3.48Å; Y1065-H1104 VanDerWaalsContact CZ-CG 3.48Å; Y1065-H1104 AromaticContact CZ-ND1 3.76Å; Y1065-H1104 AromaticContact CZ-NE2 3.75Å; Y1065-H1104 PolarHBondContact OH-CE1 2.67Å; Y1065-H1104 VanDerWaalsContact OH-CE1 3.3Å; Y1065-H1104 PolarHBondContact OH-ND1 3.36Å; Y1065-H1104 PolarHBondContact OH-NE2 3.04Å
1105	I	81.4	Confident	64.4	Low	121 Å²	121	86.3 Å²	86.3	62%	0.621	44%	0.437	S	S	*	.			trans	-73.9	135.8	179.4	-61.2	170.9	0	0	0	110.2	K1107	I1105-K1107 PolarHBondContact O-N 2.88Å
1106	N	78.9	Confident	63.5	Low	47 Å²	47	92.1 Å²	92.1	25%	0.251	45%	0.448	S	S	.	.			trans	-78.3	116.1	173	-173.8	2.3	0	0	0	111.1	F1030 S1108	F1030-N1106 HydrophobicContact CD1-CB 3.82Å; F1030-N1106 HydrophobicContact CD2-CB 3.54Å; F1030-N1106 WeakPolarHBondContact CD2-OD1 3.45Å; F1030-N1106 HydrophobicContact CE1-CB 3.82Å; F1030-N1106 VanDerWaalsContact CE2-CA 3.48Å; F1030-N1106 HydrophobicContact CE2-CB 3.56Å; F1030-N1106 HydrophobicContact CG-CB 3.69Å; F1030-N1106 HydrophobicContact CZ-CB 3.71Å; N1106-S1108 VanDerWaalsContact CG-OG 3.27Å; N1106-S1108 PolarHBondContact ND2-OG 2.72Å; N1106-S1108 VanDerWaalsContact ND2-OG 3.16Å; N1106-S1108 WeakPolarHBondContact OD1-CB 3.44Å; N1106-S1108 PolarHBondContact OD1-N 3.2Å; N1106-S1108 PolarHBondContact OD1-OG 3.42Å
1107	K	68.4	Low	62.5	Low	147 Å²	147	91.9 Å²	91.9	64%	0.639	46%	0.459	S	S	*	.			trans	-90.2	-1.9	179	-65.1	179	177.1	175	0	114.2	E1061 I1105	E1061-K1107 WeakPolarHBondContact OE1-CE 3.38Å; E1061-K1107 IonicContact OE1-NZ 3.38Å; E1061-K1107 PolarHBondContact OE1-NZ 3.13Å; E1061-K1107 IonicContact OE2-NZ 3.23Å; E1061-K1107 PolarHBondContact OE2-NZ 2.95Å; I1105-K1107 PolarHBondContact O-N 2.88Å
1108	S	59.1	Low	61	Low	73 Å²	73	95.9 Å²	95.9	51%	0.51	48%	0.476	S	S	.	.			trans	-77.4	127.1	-179.5	61.3	0	0	0	0	111.9	N1106 K1110	N1106-S1108 VanDerWaalsContact CG-OG 3.27Å; N1106-S1108 PolarHBondContact ND2-OG 2.72Å; N1106-S1108 VanDerWaalsContact ND2-OG 3.16Å; N1106-S1108 WeakPolarHBondContact OD1-CB 3.44Å; N1106-S1108 PolarHBondContact OD1-N 3.2Å; N1106-S1108 PolarHBondContact OD1-OG 3.42Å; S1108-K1110 PolarHBondContact O-N 3.1Å
1109	R	43.9	Very low	58.8	Low	251 Å²	251	102.7 Å²	102.7	95%	0.947	51%	0.505	S	S	*	.			trans	-70.5	105	174.6	-73.6	-176.2	177.3	-169.9	-1.3	109.5	R1111	R1109-R1111 PolarHBondContact O-N 3.21Å
1110	K	40.9	Very low	56.7	Low	170 Å²	170	105.3 Å²	105.3	74%	0.739	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-71	124.7	167.7	-73.4	-174.1	177.6	-179.9	0	109.3	S1108	S1108-K1110 PolarHBondContact O-N 3.1Å
1111	R	42.1	Very low	54.4	Low	242 Å²	242	106.5 Å²	106.5	91%	0.913	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-69.4	131.7	159.6	-85.3	-176.8	-179.5	175.5	0.4	107.6	R1109 S1113	R1109-R1111 PolarHBondContact O-N 3.21Å; R1111-S1113 PolarHBondContact O-N 2.79Å
1112	S	30.8	Very low	51.9	Low	111 Å²	111	114.1 Å²	114.1	78%	0.776	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-61	123.5	170.5	42.5	0	0	0	0	109.8	L1114	S1112-L1114 PolarHBondContact O-N 2.95Å
1113	S	33.6	Very low	49.5	Very low	103 Å²	103	115.4 Å²	115.4	72%	0.72	58%	0.575	S	S	*	*			trans	-73.1	114.9	163.2	164.9	0	0	0	0	107.1	R1111 N1115	R1111-S1113 PolarHBondContact O-N 2.79Å; S1113-N1115 PolarHBondContact O-N 3.07Å
1114	L	35.7	Very low	47	Very low	151 Å²	151	123.1 Å²	123.1	79%	0.791	60%	0.603	S	S	*	*			trans	-65.8	110.5	171.9	-88.1	138.5	0	0	0	109.2	S1112 F1116	S1112-L1114 PolarHBondContact O-N 2.95Å; L1114-F1116 PolarHBondContact O-N 3.5Å
1115	N	33.5	Very low	44.6	Very low	98 Å²	98	132.6 Å²	132.6	52%	0.524	66%	0.655	S	S	.	*			trans	-67	119.6	166.2	-77.4	-18.8	0	0	0	108.8	S1113 S1117 E1118	S1113-N1115 PolarHBondContact O-N 3.07Å; N1115-S1117 PolarHBondContact O-N 3.22Å; N1115-E1118 PolarHBondContact O-N 3.04Å
1116	F	36.9	Very low	42.7	Very low	176 Å²	176	133.2 Å²	133.2	77%	0.772	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-13.4	-178.8	-110.9	-93.9	0	0	0	113.8	L1114	L1114-F1116 PolarHBondContact O-N 3.5Å
1117	S	38.5	Very low	40.8	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-9.6	-179.5	46.5	0	0	0	0	114.3	N1115	N1115-S1117 PolarHBondContact O-N 3.22Å
1118	E	39.7	Very low	39.3	Very low	141 Å²	141	137.2 Å²	137.2	66%	0.659	68%	0.68	S	S	*	*			trans	-119	83	173	-72	178.3	172.5	0	0	108.5	N1115	N1115-E1118 PolarHBondContact O-N 3.04Å
1119	K	36.3	Very low	38.1	Very low	146 Å²	146	141 Å²	141	64%	0.635	69%	0.69	S	S	*	*			trans	-97.1	118.3	164.9	-76.4	-174.4	179.4	177.6	0	108.2
1120	A	42.6	Very low	37.8	Very low	68 Å²	68	134.1 Å²	134.1	56%	0.562	67%	0.674	S	S	*	*			trans	-50.4	142.6	163.7	0	0	0	0	0	110	K1122	A1120-K1122 PolarHBondContact O-N 2.99Å
1121	I	40.4	Very low	37.6	Very low	25 Å²	25	131.7 Å²	131.7	13%	0.128	67%	0.67	C	S	.	*			trans	-59.3	107.1	178.2	-63.9	174	0	0	0	108.5	H321 E325 I1123	H321-I1121 HydrophobicContact CB-CD1 4.33Å; E325-I1121 HydrophobicContact CG-CD1 4.24Å; E325-I1121 PolarHBondContact OE1-N 2.87Å; I1121-I1123 HydrophobicContact CG2-CD1 3.61Å; I1121-I1123 HydrophobicContact CG2-CG1 3.79Å
1122	K	39.4	Very low	37.2	Very low	159 Å²	159	123.9 Å²	123.9	69%	0.691	65%	0.652	S	S	*	*			trans	-97.9	99.4	171.9	-74.5	-174	-179.6	-178.1	0	108.5	A1120 Y1124	A1120-K1122 PolarHBondContact O-N 2.99Å; K1122-Y1124 HydrophobicContact CB-CE2 4.49Å
1123	I	40.5	Very low	37.7	Very low	28 Å²	28	124.8 Å²	124.8	14%	0.144	64%	0.643	C	S	.	*			trans	-92.7	116.3	165.2	-57.1	136.3	0	0	0	107.8	F310 V329 I1121 N1125	F310-I1123 HydrophobicContact CB-CG1 4.24Å; F310-I1123 HydrophobicContact CD1-CD1 3.5Å; F310-I1123 VanDerWaalsContact CD1-CD1 3.5Å; F310-I1123 HydrophobicContact CD1-CG1 3.94Å; F310-I1123 HydrophobicContact CE1-CD1 4.07Å; F310-I1123 HydrophobicContact CG-CD1 4.48Å; F310-I1123 WeakPolarHBondContact O-CG1 3.3Å; F310-I1123 WeakPolarHBondContact O-CG2 3.42Å; V329-I1123 HydrophobicContact CG1-CD1 3.22Å; I1121-I1123 HydrophobicContact CG2-CD1 3.61Å; I1121-I1123 HydrophobicContact CG2-CG1 3.79Å; I1123-N1125 PolarHBondContact O-N 3.15Å
1124	Y	36.4	Very low	38.1	Very low	192 Å²	192	126.7 Å²	126.7	75%	0.753	64%	0.636	S	S	*	*			trans	-72	122.7	174.1	-61.1	-85.4	0	0	0	108.6	K1122	K1122-Y1124 HydrophobicContact CB-CE2 4.49Å
1125	N	36.9	Very low	38.3	Very low	225 Å²	225	124.5 Å²	124.5	100%	1.203	62%	0.622	S	S	*	*			trans	-60.8	0	174.5	-74.9	-20.5	0	0	0	111.9	I1123	I1123-N1125 PolarHBondContact O-N 3.15Å

Retrieved 1,125 of 1,125 residues in 571.7 ms (Link to these results)

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