A0A087YBD7_POEFO Loading...

DNA replication ATP-dependent helicase/nuclease

Key enzyme involved in DNA replication and DNA repair. Involved in Okazaki fragments processing by cleaving long flaps that escape FEN1: flaps that are longer than 27 nucleotides are coated by replication protein A complex (RPA), leading to recruit DNA2 which cleaves the flap until it is too short to bind RPA and becomes a substrate for FEN1. Also involved in 5'-end resection of DNA during double-strand break (DSB) repair by mediating the cleavage of 5'-ssDNA.

AlphaFold DB , UniProt , Accession A0A087YBD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,194 aa.

						>A0A087YBD7_POEFO|A0A087YBD7
MTEKGEVNKSANRLSGPFKRLFSPSQESHNAKKPRTSPLKALIGSTETPLFTADPTDLSLGGDRKRQQQQQEKTVSCFTVITEVEGSLEKDTCTPAAPLPEESAEELEVVPKERTATRETHGDGNNKTLLDQQQGGVAAESGPAGPSENSFEESWFTDQMDDEATEEKSKKHLKVPDHVILSEGPNNRYLVLDVEEKPGHKSLTISCCRSLLPTETCLLKDGWELTPVYRGDVVHLEGRSEGGAWLVDRERGFLVLQPDSLISGTSISNSIRCMRRSVLGEMFKSFDGGSKQMLNGTMVHEVFQRAASAKDFSLQKLSQLADEALRNHRYLGDMFALGVSQEEMQQELHEYLPSLEHWANEYLCSPAPKPISSKIRCQAPPAVFTLTELADIEENVWSPRFGLKGKIDVTAKVRIQRSRNGSSRVCEEKTVPLELKTGRESNSIEHRSQVILYTLMSMERYSPEIGLLLYLKTGNMHPVAAGHMDHRELLKLRNSLVHHINHSVEKGADRSRLSRLPDILSSRQTCQYCPQKLNCALYERVVDSTSADVGEDEVRAFLQQETSHLTRPHLVYFAHWLLLCSLEASTMEAKSGRKRVWLQSVLESEKGGSCVGNLQLSGSVTAQSEGVFVHRFLRSAAASQQGANHFGLTSGDRIVVSDQEGRLIGLATGYLKGVNATSVSCTLDRDLSKFSGVSFRLDSDEGVVGLSTHLSNLSRLMESSGDSERLRELVVDLRPPEFITNLSSVLPREAKDTVANILKGLNKPQKQAMKKVLLSKDFTLIVGMPGTGKTTTICTLVRILHACGFSVLLTSYTHSAVDNILLKLKRFRVGFLRLGQGQKVHPEILPYTEESMRRKDVHTLTELQQLYSKELVVATTCMGIKHPIFTRRRFDFCIVDEASQISQPICLGPLFYAKRFVLVGDHQQLPPIVQNQEARSLGMDESLFKRLELHSEAVVQLNVQYRMNSQIMSLSNSLMYDGRLECGSERTASALLTLPSLPSVQSELTSCSETRPQLDLSWLQAALLPSNPVCFLDCSKVPALESVEQGGVSNRTEAALIHMMLSLLIKAGCKPGDIGVIAPYRQQLKCISALLQSSAFSGVEVNTVDRYQGRDKSLIVLSFVRSTAEEGNLGELLKDWRRLNVAVTRAKHKLLMVGSAATLRRYPPVEKLLQHLLQQNMIIQLPPAAHKALPSMHL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	29.7	Very low	228 Å²	228	140.6 Å²	140.6	100%	1.123	78%	0.776	S	S	*	*				0	99.7	0	-72.6	163.8	178.8	0	0	106.1
2	T	28.3	Very low	29.5	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	77%	0.772	S	S	*	*				70.6	125.2	78.6	58.4	0	0	0	0	111.5
3	E	31.6	Very low	29.5	Very low	137 Å²	137	146.5 Å²	146.5	64%	0.64	78%	0.776	S	S	*	*			cis	-169.4	154.5	1.2	-126.7	-169.4	159.9	0	0	111.4
4	K	32.3	Very low	29.3	Very low	180 Å²	180	147.5 Å²	147.5	78%	0.783	78%	0.781	S	S	*	*			trans	60.8	163.6	158	-63.9	154.2	-178	153.9	0	116.3
5	G	28.4	Very low	29.3	Very low	67 Å²	67	144.7 Å²	144.7	69%	0.691	78%	0.778	S	S	*	*			cis	162.7	111.7	-8.4	0	0	0	0	0	107.6
6	E	31.6	Very low	29.1	Very low	187 Å²	187	140.1 Å²	140.1	87%	0.874	78%	0.776	S	S	*	*				90.5	156.2	78.2	-162.6	177.7	-122	0	0	113.1
7	V	29.5	Very low	30.2	Very low	107 Å²	107	139.3 Å²	139.3	65%	0.648	78%	0.778	S	S	*	*			trans	86.7	99.6	166.8	-169.2	0	0	0	0	118.8
8	N	29.1	Very low	30.1	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	79%	0.788	S	S	*	*				44.5	153	126	-66	-52.8	0	0	0	121.9
9	K	28.3	Very low	30.1	Very low	182 Å²	182	145.8 Å²	145.8	79%	0.791	79%	0.789	S	S	*	*			cis	-167.6	152.1	26.1	-137	161.8	-172.9	177	0	112.2
10	S	28	Very low	30.1	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	79%	0.79	S	S	*	*			trans	25.1	135	148.5	61.3	0	0	0	0	121.5
11	A	28.6	Very low	30	Very low	87 Å²	87	148.5 Å²	148.5	72%	0.719	79%	0.786	S	S	*	*				-179.7	160.3	59.5	0	0	0	0	0	116.2
12	N	27.2	Very low	29.8	Very low	136 Å²	136	147.9 Å²	147.9	73%	0.727	78%	0.777	S	S	*	*			trans	64.9	109.8	148.1	-79.3	-23.6	0	0	0	125.3
13	R	28.9	Very low	29.8	Very low	221 Å²	221	146.8 Å²	146.8	83%	0.834	78%	0.775	S	S	*	*				56.4	117.3	118.5	-63.2	178.9	179	-154.4	-1.4	121.9
14	L	27.9	Very low	30.5	Very low	161 Å²	161	146.6 Å²	146.6	84%	0.843	79%	0.785	S	S	*	*				177	155.9	98.1	-103.5	160.3	0	0	0	114.9
15	S	28.6	Very low	30.2	Very low	105 Å²	105	143.7 Å²	143.7	73%	0.734	79%	0.788	S	S	*	*			trans	37.8	125.8	154.9	59.1	0	0	0	0	123
16	G	26.6	Very low	30.4	Very low	72 Å²	72	149.7 Å²	149.7	74%	0.742	80%	0.798	S	S	*	*			trans	-96.1	-157.1	144.1	0	0	0	0	0	111.1
17	P	47.5	Very low	30.3	Very low	126 Å²	126	150.1 Å²	150.1	82%	0.818	80%	0.8	S	S	*	*			cis	-123.4	171.7	-2.9	41.3	-28.3	0	0	0	113.8
18	F	28.1	Very low	30.2	Very low	215 Å²	215	149.5 Å²	149.5	94%	0.943	80%	0.8	S	S	*	*			trans	-114.9	160.7	168.3	-109	-91	0	0	0	113.3
19	K	29.8	Very low	30.4	Very low	187 Å²	187	150.4 Å²	150.4	81%	0.813	80%	0.799	S	S	*	*			trans	-144.8	158.3	-161.9	-146.6	174.8	-170.7	170.6	0	110.6
20	R	30.5	Very low	30.5	Very low	215 Å²	215	148.2 Å²	148.2	81%	0.811	80%	0.797	S	S	*	*			trans	86.6	132.2	156.6	-76.8	-178.3	166.3	176.2	-3.5	121.3
21	L	28.5	Very low	30.5	Very low	134 Å²	134	147.2 Å²	147.2	70%	0.702	80%	0.795	S	S	*	*			trans	69	121.5	134.1	-66.1	168.3	0	0	0	120.6
22	F	27.1	Very low	30.6	Very low	214 Å²	214	153.3 Å²	153.3	94%	0.939	81%	0.805	S	S	*	*			trans	-134.7	146.5	133.5	-92.3	-78.9	0	0	0	110.3
23	S	27.1	Very low	31	Very low	101 Å²	101	156.3 Å²	156.3	71%	0.706	81%	0.812	S	S	*	*			trans	-140.5	151.4	171.5	51.4	0	0	0	0	107.8
24	P	47.3	Very low	31.9	Very low	132 Å²	132	151.4 Å²	151.4	86%	0.857	81%	0.808	S	S	*	*			trans	-89.2	161.5	-156.5	35.1	-37.4	0	0	0	114.4
25	S	26.3	Very low	32	Very low	120 Å²	120	154.4 Å²	154.4	84%	0.839	81%	0.809	S	S	*	*			trans	-112.2	143.9	160	49	0	0	0	0	110.5
26	Q	31.6	Very low	32	Very low	192 Å²	192	154.4 Å²	154.4	90%	0.897	80%	0.804	S	S	*	*			trans	-101.7	151.2	160	-68.5	-177.7	-42.1	0	0	108
27	E	29	Very low	32.1	Very low	196 Å²	196	155.7 Å²	155.7	92%	0.916	80%	0.802	S	S	*	*			trans	-152.9	156.1	148.5	-128.6	164.8	-146.6	0	0	112.1
28	S	29.3	Very low	32.6	Very low	94 Å²	94	154.7 Å²	154.7	66%	0.657	80%	0.795	S	S	*	*			trans	-104.4	175.5	-177.4	50.2	0	0	0	0	109.6
29	H	32.7	Very low	32.5	Very low	160 Å²	160	150.9 Å²	150.9	74%	0.741	78%	0.784	S	S	*	*			cis	-169.2	176.2	39.4	-132.8	-73	0	0	0	111.5
30	N	29.4	Very low	32.5	Very low	137 Å²	137	151.2 Å²	151.2	73%	0.733	79%	0.785	S	S	*	*			trans	84.6	99.6	149.1	-69	-14.6	0	0	0	123.8
31	A	29.5	Very low	32.5	Very low	87 Å²	87	144.7 Å²	144.7	72%	0.719	78%	0.777	S	S	*	*				77.2	118.1	109.4	0	0	0	0	0	122.6
32	K	29.4	Very low	32.5	Very low	214 Å²	214	145.3 Å²	145.3	93%	0.93	78%	0.781	S	S	*	*				-168.6	151.1	115.6	-100	156.8	-172.7	174.7	0	112.6
33	K	36	Very low	32.5	Very low	200 Å²	200	142.7 Å²	142.7	87%	0.87	78%	0.775	S	S	*	*			trans	-146.1	147.6	169.6	-106.6	-171.6	179.8	-178.4	0	108.1
34	P	47.8	Very low	32.5	Very low	118 Å²	118	140.7 Å²	140.7	77%	0.766	77%	0.771	S	S	*	*				-142.1	-156.5	90.7	40.3	-22	0	0	0	111.2
35	R	30	Very low	31.5	Very low	224 Å²	224	139.4 Å²	139.4	85%	0.845	76%	0.764	S	S	*	*			cis	-152.4	177.8	-0.4	-145.5	168.1	-174	167.4	2.9	111
36	T	27.8	Very low	31.6	Very low	104 Å²	104	139.3 Å²	139.3	64%	0.638	76%	0.759	S	S	*	*			trans	-7	134	157.8	49.2	0	0	0	0	120.4
37	S	29.4	Very low	31.4	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	76%	0.756	S	S	*	*			cis	79.5	160.6	37.7	83.5	0	0	0	0	115.4
38	P	57	Low	31.5	Very low	104 Å²	104	135.2 Å²	135.2	68%	0.675	75%	0.749	S	S	*	*			cis	-143.3	-157.2	-9.9	29.7	-2.2	0	0	0	115.5
39	L	27.8	Very low	32.4	Very low	135 Å²	135	136.3 Å²	136.3	71%	0.707	75%	0.753	S	S	*	*			trans	91.2	120.3	155.7	-61	159.4	0	0	0	118.9
40	K	29.9	Very low	32.3	Very low	194 Å²	194	134.9 Å²	134.9	84%	0.843	75%	0.75	S	S	*	*				75	149.7	93.9	-74.9	-169.4	-170.3	178	0	115
41	A	29.9	Very low	32.2	Very low	78 Å²	78	137 Å²	137	65%	0.645	75%	0.753	S	S	*	*			cis	-168.5	160.8	7.4	0	0	0	0	0	115.3
42	L	27.6	Very low	32.2	Very low	148 Å²	148	139.1 Å²	139.1	78%	0.775	76%	0.758	S	S	*	*			trans	57.8	138	145.9	-81.9	82.5	0	0	0	125.3
43	I	28.5	Very low	32	Very low	158 Å²	158	133 Å²	133	81%	0.81	75%	0.748	S	S	*	*			trans	61.9	145.5	146.1	-61.5	172	0	0	0	118.9
44	G	25.4	Very low	31.7	Very low	60 Å²	60	131 Å²	131	62%	0.619	75%	0.746	S	S	*	*			cis	160.7	152.5	-11.3	0	0	0	0	0	115.3
45	S	27.9	Very low	32	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	74%	0.741	S	S	*	*			trans	55.9	152.9	150.1	56	0	0	0	0	125
46	T	27.2	Very low	32	Very low	119 Å²	119	125.6 Å²	125.6	73%	0.73	74%	0.738	S	S	*	*			trans	66.6	152.5	160.3	50.8	0	0	0	0	119.2
47	E	27.5	Very low	32.1	Very low	177 Å²	177	127.4 Å²	127.4	83%	0.827	74%	0.744	S	S	*	*			cis	-160.5	-177.2	-24.1	-119.8	170.3	-167	0	0	111.4
48	T	32.6	Very low	32	Very low	125 Å²	125	129.7 Å²	129.7	77%	0.767	75%	0.747	S	S	*	*			trans	-80.7	166.8	179.3	49.7	0	0	0	0	113.1
49	P	47.6	Very low	30.5	Very low	116 Å²	116	128.8 Å²	128.8	75%	0.753	74%	0.743	S	S	*	*				-157.6	-172.9	76.3	41.9	-17.9	0	0	0	119.5
50	L	29.2	Very low	30.6	Very low	130 Å²	130	130.8 Å²	130.8	68%	0.681	75%	0.754	S	S	*	*			trans	-45.1	177.3	179.7	-65.7	74.7	0	0	0	118.4
51	F	29.3	Very low	30.4	Very low	181 Å²	181	125.3 Å²	125.3	79%	0.794	75%	0.753	S	S	*	*			cis	-129.8	-163.9	12.6	-83	-91.5	0	0	0	111
52	T	27.6	Very low	30.2	Very low	132 Å²	132	125.7 Å²	125.7	81%	0.81	77%	0.765	S	S	*	*			cis	-158.9	177.8	11.4	-18.1	0	0	0	0	107.2
53	A	26.7	Very low	30.3	Very low	87 Å²	87	125 Å²	125	72%	0.719	76%	0.761	S	S	*	*			cis	-157.4	-168	3.5	0	0	0	0	0	110.9
54	D	28.6	Very low	30.2	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	77%	0.765	S	S	*	*			trans	-145.3	-173.3	177.6	-107.7	-40.4	0	0	0	109
55	P	55.2	Low	30.4	Very low	102 Å²	102	134 Å²	134	66%	0.662	77%	0.771	S	S	*	*			cis	-124.2	-177.5	-8.7	23.6	2.3	0	0	0	112.5
56	T	29.1	Very low	30.5	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	77%	0.773	S	S	*	*				167.2	159.6	79.4	40.8	0	0	0	0	108.7
57	D	30.6	Very low	30.7	Very low	141 Å²	141	139 Å²	139	75%	0.754	77%	0.766	S	S	*	*			cis	-170.9	176.2	-22.8	-169.5	10.9	0	0	0	108.3
58	L	27.1	Very low	30.8	Very low	148 Å²	148	137 Å²	137	78%	0.775	76%	0.757	S	S	*	*			trans	76.4	148.7	169.3	-55.8	168.2	0	0	0	118.9
59	S	26.3	Very low	30.6	Very low	85 Å²	85	137.7 Å²	137.7	59%	0.594	75%	0.752	S	S	*	*				-172	165	-56.2	52.6	0	0	0	0	110.5
60	L	28.1	Very low	29.7	Very low	177 Å²	177	138.2 Å²	138.2	93%	0.927	74%	0.744	S	S	*	*			trans	68.5	146.3	171.2	-47.6	169.6	0	0	0	115.5
61	G	25.7	Very low	29.7	Very low	80 Å²	80	138.6 Å²	138.6	83%	0.825	74%	0.742	S	S	*	*			cis	166.2	148.8	-6.3	0	0	0	0	0	109.1
62	G	25.6	Very low	29.6	Very low	86 Å²	86	135.6 Å²	135.6	89%	0.887	73%	0.73	S	S	*	*			cis	-163.8	-160.4	3.2	0	0	0	0	0	112.8
63	D	29.7	Very low	29.7	Very low	133 Å²	133	137 Å²	137	71%	0.711	73%	0.725	S	S	*	*			trans	-112.9	171.4	-164.8	-170.8	13.1	0	0	0	113.9
64	R	27.8	Very low	29.7	Very low	235 Å²	235	138.8 Å²	138.8	89%	0.887	73%	0.727	S	S	*	*			trans	117.6	120.1	170.8	-66.6	166.9	-175.1	-156.3	1.4	113.9
65	K	29.6	Very low	29.6	Very low	172 Å²	172	137.5 Å²	137.5	75%	0.748	73%	0.725	S	S	*	*			cis	89.4	131.5	11.1	-148.5	179.7	-159.5	163.1	0	115.8
66	R	30.5	Very low	28.1	Very low	201 Å²	201	137.9 Å²	137.9	76%	0.758	73%	0.73	S	S	*	*			trans	101.7	117.5	169.8	-67.7	177.2	160.7	-131.4	6.6	116.5
67	Q	29.8	Very low	27.9	Very low	127 Å²	127	137.1 Å²	137.1	59%	0.593	73%	0.729	S	S	*	*				103.2	146.9	89.7	-80.3	176.1	-51.3	0	0	109.2
68	Q	29.8	Very low	27.6	Very low	135 Å²	135	139.7 Å²	139.7	63%	0.631	73%	0.734	S	S	*	*			cis	-156.8	-165.1	-6.5	-120.2	162.6	-145.1	0	0	106.5
69	Q	28.8	Very low	27.4	Very low	140 Å²	140	138.2 Å²	138.2	65%	0.654	73%	0.731	S	S	*	*			cis	-167.9	170.6	5.4	-122.8	160.2	-61.8	0	0	105.5
70	Q	28.5	Very low	27.3	Very low	127 Å²	127	140.2 Å²	140.2	59%	0.593	74%	0.739	S	S	*	*			cis	-165.1	158.1	-11.9	-146.5	167.8	-108.3	0	0	108.6
71	Q	29.2	Very low	27.1	Very low	138 Å²	138	138.7 Å²	138.7	65%	0.645	73%	0.731	S	S	*	*			trans	65.7	151	151.4	-84.5	170.1	-43.9	0	0	120.9
72	E	28.5	Very low	27	Very low	117 Å²	117	139.8 Å²	139.8	55%	0.547	72%	0.721	S	S	.	*			cis	-166	148.6	-17.2	-134	174.6	-143.7	0	0	113.5
73	K	28.5	Very low	27	Very low	162 Å²	162	144 Å²	144	70%	0.704	72%	0.718	S	S	*	*			trans	58.4	164	154.5	-70.2	154.2	-167.5	163.1	0	118
74	T	26.2	Very low	26.8	Very low	124 Å²	124	143 Å²	143	76%	0.761	72%	0.716	S	S	*	*			cis	-147.8	132.7	11.2	-25.6	0	0	0	0	113.9
75	V	26.2	Very low	26.7	Very low	130 Å²	130	140.9 Å²	140.9	79%	0.788	72%	0.716	S	S	*	*			trans	20.3	149.1	142.9	-170.2	0	0	0	0	123.4
76	S	25	Very low	26.5	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	72%	0.717	S	S	*	*			trans	86.3	133	164.1	70.7	0	0	0	0	117.2
77	C	24.4	Very low	26.3	Very low	112 Å²	112	131.7 Å²	131.7	76%	0.757	72%	0.717	S	S	*	*			cis	113.3	146.1	0.8	-158.1	0	0	0	0	115.8
78	F	23.8	Very low	26.2	Very low	195 Å²	195	133 Å²	133	86%	0.855	73%	0.726	S	S	*	*			trans	80.4	161.3	179.2	-87.9	-84.1	0	0	0	120.5
79	T	24	Very low	26.1	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	73%	0.726	S	S	*	*			trans	-151.8	163	-144.7	-32.4	0	0	0	0	111.2
80	V	23.9	Very low	26.2	Very low	126 Å²	126	133.4 Å²	133.4	76%	0.764	73%	0.726	S	S	*	*			trans	72.8	161.5	163.5	-133.9	0	0	0	0	118.4
81	I	23.7	Very low	26.2	Very low	146 Å²	146	133.4 Å²	133.4	75%	0.749	73%	0.73	S	S	*	*			trans	76.7	133.4	157.7	-70.9	167.2	0	0	0	115.3
82	T	23.6	Very low	26.1	Very low	102 Å²	102	132.4 Å²	132.4	63%	0.626	73%	0.734	S	S	*	*			cis	-166.6	146.3	-11.9	26.2	0	0	0	0	106.5
83	E	25.9	Very low	25.9	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.822	75%	0.748	S	S	*	*				75.5	165.7	79	-146.6	174	-116.1	0	0	115.5
84	V	26	Very low	25.9	Very low	111 Å²	111	131.5 Å²	131.5	67%	0.673	75%	0.754	S	S	*	*			trans	85	93.6	169	-165.3	0	0	0	0	119.8
85	E	26	Very low	26.5	Very low	190 Å²	190	131.1 Å²	131.1	89%	0.888	75%	0.754	S	S	*	*				35.9	143.7	122	-54	-175.3	132.6	0	0	125.2
86	G	25.3	Very low	26.5	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	76%	0.755	S	S	*	*			trans	122	149.6	137.9	0	0	0	0	0	116.8
87	S	25.1	Very low	26.9	Very low	107 Å²	107	129 Å²	129	75%	0.748	76%	0.756	S	S	*	*			cis	-171.9	-179.4	-17.4	53.1	0	0	0	0	109.8
88	L	27.7	Very low	27.7	Very low	153 Å²	153	129.8 Å²	129.8	80%	0.801	76%	0.76	S	S	*	*			trans	78	143.5	171.8	-50.4	163.8	0	0	0	115.2
89	E	28.5	Very low	28.1	Very low	132 Å²	132	128.2 Å²	128.2	62%	0.617	76%	0.76	S	S	*	*			cis	-158.6	152.2	1.9	-130.2	-173.6	177.1	0	0	112.6
90	K	29.7	Very low	29.2	Very low	152 Å²	152	127.1 Å²	127.1	66%	0.661	76%	0.755	S	S	*	*			trans	64.9	152.8	154.1	-69.5	163.8	-173.8	148.9	0	119.1
91	D	28.8	Very low	29.5	Very low	128 Å²	128	128.9 Å²	128.9	68%	0.684	75%	0.754	S	S	*	*			cis	-154.2	160.1	-5.6	-117.4	-32.4	0	0	0	113.9
92	T	28	Very low	29.8	Very low	116 Å²	116	130.4 Å²	130.4	71%	0.712	76%	0.758	S	S	*	*			trans	39.9	121.2	155.6	60.3	0	0	0	0	125.2
93	C	24.8	Very low	30	Very low	127 Å²	127	130.4 Å²	130.4	86%	0.858	76%	0.762	S	S	*	*				50.9	138.3	129.7	-67	0	0	0	0	126.3
94	T	26.7	Very low	30.2	Very low	133 Å²	133	125.3 Å²	125.3	82%	0.816	75%	0.75	S	S	*	*			trans	-65.7	168.3	155.7	30.9	0	0	0	0	113.1
95	P	39.8	Very low	30.4	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	76%	0.759	S	S	*	*			cis	-153.6	-175.9	42.9	45.3	-23.3	0	0	0	119.9
96	A	26.1	Very low	30.5	Very low	99 Å²	99	128.4 Å²	128.4	82%	0.818	76%	0.758	S	S	*	*			trans	33.5	147.5	144.8	0	0	0	0	0	124.2
97	A	33.5	Very low	30.5	Very low	95 Å²	95	132.6 Å²	132.6	79%	0.785	76%	0.762	S	S	*	*			trans	-80.2	165.4	167.1	0	0	0	0	0	112.7
98	P	41.9	Very low	30.5	Very low	130 Å²	130	135.7 Å²	135.7	84%	0.844	76%	0.764	S	S	*	*				-147	-170	91	40.9	-23.7	0	0	0	116.4
99	L	31.6	Very low	30.3	Very low	162 Å²	162	134 Å²	134	85%	0.848	76%	0.76	S	S	*	*			trans	-73.7	-177.4	175.9	-81	170.2	0	0	0	112.7
100	P	47.3	Very low	30.1	Very low	94 Å²	94	133.8 Å²	133.8	61%	0.61	77%	0.768	S	S	*	*			cis	-158.6	-164.4	34.5	50.3	-27.7	0	0	0	121.1
101	E	30.6	Very low	30.7	Very low	162 Å²	162	131.4 Å²	131.4	76%	0.757	77%	0.768	S	S	*	*			trans	64.1	155.8	169	-86	56.7	-78.1	0	0	118.5
102	E	29.2	Very low	30.6	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	77%	0.77	S	S	*	*			cis	-144.7	178.5	2.1	-134.1	-163.7	102.8	0	0	107.9
103	S	28.5	Very low	30.5	Very low	101 Å²	101	133 Å²	133	71%	0.706	76%	0.76	S	S	*	*			cis	-153.8	-162	8.4	68.2	0	0	0	0	112.3
104	A	29.3	Very low	30.5	Very low	69 Å²	69	136.8 Å²	136.8	57%	0.57	76%	0.756	S	S	*	*			trans	-97.6	146.6	-175	0	0	0	0	0	115.2
105	E	30.4	Very low	30.3	Very low	184 Å²	184	136.6 Å²	136.6	86%	0.86	76%	0.755	S	S	*	*				88	161.7	103.4	-72.3	172.6	164.2	0	0	114.5
106	E	27	Very low	29.7	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	75%	0.751	S	S	*	*			cis	-145.7	-143.5	16.4	-152.4	178.1	-165	0	0	113.1
107	L	25.1	Very low	29.7	Very low	162 Å²	162	136.3 Å²	136.3	85%	0.848	75%	0.75	S	S	*	*			trans	-119	178.8	-162.9	-96.8	161.8	0	0	0	115.7
108	E	25.6	Very low	29.3	Very low	172 Å²	172	141 Å²	141	80%	0.804	75%	0.747	S	S	*	*			trans	89	128.6	156.2	-67.6	-134	134.3	0	0	123.4
109	V	23.2	Very low	28.6	Very low	117 Å²	117	141.1 Å²	141.1	71%	0.709	74%	0.737	S	S	*	*				77.7	127.1	129.8	172.5	0	0	0	0	122.9
110	V	24.6	Very low	28.3	Very low	128 Å²	128	138.5 Å²	138.5	78%	0.776	73%	0.727	S	S	*	*			trans	-49.4	170.5	161.1	-112.8	0	0	0	0	114.1
111	P	43.6	Very low	27.5	Very low	102 Å²	102	143.2 Å²	143.2	66%	0.662	74%	0.741	S	S	*	*			cis	-147	-158	13	35	-9	0	0	0	116.1
112	K	24.9	Very low	27.2	Very low	171 Å²	171	138.6 Å²	138.6	74%	0.743	74%	0.737	S	S	*	*			trans	80.7	151.3	140.6	-91.3	-177.4	-174.5	-133.6	0	118.3
113	E	25.9	Very low	27.2	Very low	107 Å²	107	138.5 Å²	138.5	50%	0.5	74%	0.742	S	S	.	*			cis	-161.6	179.3	-6.9	-152.8	172.6	-115	0	0	109.8
114	R	24.8	Very low	27.1	Very low	205 Å²	205	137 Å²	137	77%	0.774	74%	0.743	S	S	*	*			trans	76	146.5	154.2	-69.7	160.3	-163	-142.1	-3.9	119.2
115	T	24.2	Very low	27.1	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	75%	0.753	S	S	*	*			cis	-167	150.8	-18.9	17.2	0	0	0	0	109
116	A	26.2	Very low	27	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	74%	0.741	S	S	*	*				167.2	124.4	115.4	0	0	0	0	0	113.9
117	T	25.6	Very low	27.1	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	73%	0.734	S	S	*	*			trans	47.4	143.4	138.4	60.1	0	0	0	0	121.8
118	R	26.4	Very low	27.2	Very low	193 Å²	193	134.2 Å²	134.2	73%	0.728	73%	0.727	S	S	*	*			cis	-167.1	150	9.9	-128.3	173.7	141.8	-173.3	-23.9	111.5
119	E	27	Very low	27.3	Very low	133 Å²	133	133 Å²	133	62%	0.621	73%	0.725	S	S	*	*			trans	59.3	145.6	147.3	-73.7	156.7	-173.6	0	0	119.6
120	T	25.8	Very low	27.5	Very low	107 Å²	107	134.3 Å²	134.3	66%	0.656	73%	0.727	S	S	*	*			cis	-160	149.6	2.3	9.2	0	0	0	0	111.6
121	H	28.9	Very low	27.6	Very low	192 Å²	192	133.9 Å²	133.9	89%	0.889	72%	0.721	S	S	*	*			trans	48.8	145.8	157.9	-59.7	-66.1	0	0	0	121.7
122	G	26.1	Very low	26.8	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	72%	0.72	S	S	*	*			cis	171.9	153	-6.4	0	0	0	0	0	113.2
123	D	27.8	Very low	26.9	Very low	178 Å²	178	134.4 Å²	134.4	95%	0.952	72%	0.717	S	S	*	*			trans	54.1	150.5	169.7	-60.6	-23	0	0	0	120.7
124	G	27.6	Very low	26.9	Very low	70 Å²	70	138.2 Å²	138.2	72%	0.722	74%	0.735	S	S	*	*			cis	178.6	130.5	-9.1	0	0	0	0	0	116.4
125	N	28.6	Very low	26.8	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	74%	0.737	S	S	*	*			trans	62.3	121	144.4	-111.3	-11.2	0	0	0	125.2
126	N	27.9	Very low	26.8	Very low	113 Å²	113	129.6 Å²	129.6	60%	0.604	74%	0.736	S	S	*	*				75.6	115.3	128.7	-86.2	-27.6	0	0	0	125.1
127	K	29.2	Very low	26.7	Very low	167 Å²	167	133 Å²	133	73%	0.726	75%	0.748	S	S	*	*				96.2	130.4	115.7	-83.6	178.3	-179	-178.1	0	124.7
128	T	26.8	Very low	26.8	Very low	113 Å²	113	131.5 Å²	131.5	69%	0.693	75%	0.749	S	S	*	*			trans	86.6	123	132.9	46.2	0	0	0	0	124.8
129	L	28.1	Very low	26.7	Very low	145 Å²	145	127.1 Å²	127.1	76%	0.759	75%	0.754	S	S	*	*			trans	80.5	116.3	131.1	-68.1	167.7	0	0	0	123
130	L	27.4	Very low	26.7	Very low	145 Å²	145	130 Å²	130	76%	0.759	77%	0.767	S	S	*	*			trans	53.6	135.9	130.2	-69.7	178.3	0	0	0	124.3
131	D	26.9	Very low	26.7	Very low	120 Å²	120	130.6 Å²	130.6	64%	0.642	78%	0.775	S	S	*	*			trans	85.8	126.5	136.5	-93.6	28.2	0	0	0	124.7
132	Q	26.9	Very low	26.6	Very low	139 Å²	139	124.9 Å²	124.9	65%	0.65	77%	0.769	S	S	*	*			trans	74.9	124.4	135.2	-74.7	-171.3	70.9	0	0	124.3
133	Q	26.1	Very low	26.6	Very low	145 Å²	145	128.3 Å²	128.3	68%	0.678	78%	0.779	S	S	*	*			trans	71.4	126.9	139	-63.9	-169.9	39	0	0	122.2
134	Q	26.3	Very low	26.4	Very low	187 Å²	187	124.8 Å²	124.8	87%	0.874	78%	0.775	S	S	*	*			trans	36.7	136.3	136.6	-55.8	-175.5	-1.8	0	0	120.8
135	G	23.2	Very low	26.4	Very low	79 Å²	79	124.7 Å²	124.7	81%	0.814	77%	0.774	S	S	*	*			trans	172.8	-47.8	151.5	0	0	0	0	0	119.7
136	G	24.1	Very low	26.5	Very low	75 Å²	75	123.4 Å²	123.4	77%	0.773	77%	0.774	S	S	*	*			trans	74	-170.5	179.8	0	0	0	0	0	116.8
137	V	24.9	Very low	26.3	Very low	153 Å²	153	121.9 Å²	121.9	93%	0.927	77%	0.772	S	S	*	*			trans	81.4	131.9	-175.1	-170	0	0	0	0	116.5
138	A	25.9	Very low	26.1	Very low	97 Å²	97	121.6 Å²	121.6	80%	0.802	77%	0.773	S	S	*	*			trans	-50.5	151	-169.6	0	0	0	0	0	119.7
139	A	26.1	Very low	26.1	Very low	101 Å²	101	122.7 Å²	122.7	84%	0.835	78%	0.775	S	S	*	*			trans	-154	136.4	140.5	0	0	0	0	0	111.4
140	E	25.8	Very low	25.9	Very low	193 Å²	193	118.8 Å²	118.8	90%	0.902	76%	0.759	S	S	*	*			trans	-82	158	151.5	-56.8	172.2	144.1	0	0	107.1
141	S	26.1	Very low	25.6	Very low	119 Å²	119	120.8 Å²	120.8	83%	0.832	76%	0.762	S	S	*	*			cis	-146.1	166.6	4.5	51.8	0	0	0	0	109.2
142	G	26.2	Very low	25.6	Very low	73 Å²	73	122.2 Å²	122.2	75%	0.753	77%	0.765	S	S	*	*			trans	-98.1	164.5	-177.5	0	0	0	0	0	114.8
143	P	26.2	Very low	25.5	Very low	136 Å²	136	122.7 Å²	122.7	88%	0.883	77%	0.767	S	S	*	*			trans	-107.2	156	139	34.8	-29.6	0	0	0	110.8
144	A	24.1	Very low	25.4	Very low	104 Å²	104	120 Å²	120	86%	0.86	76%	0.764	S	S	*	*			trans	-128.4	155.5	-169.6	0	0	0	0	0	113.8
145	G	28.4	Very low	25.3	Very low	68 Å²	68	119.9 Å²	119.9	70%	0.701	76%	0.756	S	S	*	*			trans	67.9	-170.2	164.2	0	0	0	0	0	116.1
146	P	29.7	Very low	25.3	Very low	120 Å²	120	124.3 Å²	124.3	78%	0.779	75%	0.753	S	S	*	*			cis	-81.8	160.7	-10	-5.7	26.6	0	0	0	110.9
147	S	23.9	Very low	25.3	Very low	81 Å²	81	126 Å²	126	57%	0.566	75%	0.749	S	S	*	*			cis	78.3	131.7	27.6	98.4	0	0	0	0	116
148	E	25.8	Very low	25.2	Very low	160 Å²	160	124.7 Å²	124.7	75%	0.748	74%	0.736	S	S	*	*			trans	72.4	164.9	134.3	-74.5	155.2	178.7	0	0	119.2
149	N	25.6	Very low	25.2	Very low	137 Å²	137	128 Å²	128	73%	0.733	74%	0.735	S	S	*	*			cis	-152.7	-176.4	6.8	-124	-21.3	0	0	0	108.8
150	S	23.6	Very low	25.1	Very low	62 Å²	62	131.7 Å²	131.7	43%	0.434	74%	0.737	S	S	.	*			cis	-165.1	175.1	-10.2	45.3	0	0	0	0	109.1
151	F	22.7	Very low	25.1	Very low	188 Å²	188	129.8 Å²	129.8	83%	0.825	73%	0.733	S	S	*	*			trans	150.2	105.6	142.8	-87.6	-65.5	0	0	0	107.5
152	E	26.5	Very low	25.1	Very low	149 Å²	149	132.1 Å²	132.1	70%	0.696	74%	0.736	S	S	*	*			cis	69.5	147.7	42.1	-53	-162.4	115.1	0	0	114.2
153	E	25.3	Very low	25.3	Very low	150 Å²	150	138.1 Å²	138.1	70%	0.701	75%	0.745	S	S	*	*			cis	-95.4	164.8	2.7	-69.1	177.8	116	0	0	112.7	W155	E153-W155 PolarHBondContact OE1-NE1 3.14Å
154	S	23.1	Very low	25.3	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	74%	0.735	S	S	*	*			cis	93.7	-174.2	16.3	98.9	0	0	0	0	116.7
155	W	24.8	Very low	25.3	Very low	185 Å²	185	137.1 Å²	137.1	70%	0.701	73%	0.734	S	S	*	*			trans	68.9	123.1	-169.8	-59.8	54.9	0	0	0	116	E153	E153-W155 PolarHBondContact OE1-NE1 3.14Å
156	F	23.5	Very low	25.5	Very low	173 Å²	173	142.8 Å²	142.8	76%	0.759	74%	0.742	S	S	*	*			cis	-135.6	153.5	6.1	-120.1	-69.1	0	0	0	111.3
157	T	22.6	Very low	25.3	Very low	111 Å²	111	145.6 Å²	145.6	68%	0.681	75%	0.745	S	S	*	*			trans	-104.3	163.8	169.4	52.7	0	0	0	0	112
158	D	24	Very low	25.6	Very low	124 Å²	124	150.4 Å²	150.4	66%	0.663	76%	0.756	S	S	*	*				172.5	111.8	120.5	-82	-3.5	0	0	0	109.3
159	Q	26	Very low	25.8	Very low	166 Å²	166	148.1 Å²	148.1	78%	0.776	76%	0.757	S	S	*	*				70.1	109	99.2	-71.2	-164.5	4.2	0	0	115.8
160	M	24.2	Very low	26.3	Very low	179 Å²	179	148.5 Å²	148.5	88%	0.882	75%	0.752	S	S	*	*				-171.5	157.7	98.5	-100.5	-173.2	162.8	0	0	111.7
161	D	25.8	Very low	27.4	Very low	153 Å²	153	154.1 Å²	154.1	82%	0.818	77%	0.769	S	S	*	*			trans	-85.3	157.8	-175.4	-50.8	-81.9	0	0	0	113.6
162	D	25.2	Very low	28.9	Very low	168 Å²	168	153.4 Å²	153.4	90%	0.898	77%	0.768	S	S	*	*			trans	-169.5	137.7	130.5	-111	-23.6	0	0	0	111.2
163	E	29.7	Very low	30.6	Very low	199 Å²	199	148.4 Å²	148.4	93%	0.93	75%	0.746	S	S	*	*			trans	-87.7	114.8	177.4	-67.7	-170.5	123.9	0	0	111.8
164	A	26	Very low	33.1	Very low	82 Å²	82	149.9 Å²	149.9	68%	0.678	75%	0.75	S	S	*	*			trans	-150.6	95.7	175.1	0	0	0	0	0	115.8
165	T	24.9	Very low	35.8	Very low	137 Å²	137	146.6 Å²	146.6	84%	0.84	73%	0.726	S	S	*	*			trans	67.2	148.2	151.4	54.7	0	0	0	0	120.6	E167	T165-E167 PolarHBondContact O-N 2.91Å
166	E	32.9	Very low	38.4	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.874	71%	0.709	S	S	*	*			trans	-76.4	69.4	178.8	-67.9	-169.9	96.3	0	0	114.3	K168	E166-K168 PolarHBondContact O-N 2.77Å
167	E	24.7	Very low	40.9	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	71%	0.709	S	S	*	*			trans	-85.9	98.8	160.6	-77.4	-131.9	129.5	0	0	111.1	T165 S169	T165-E167 PolarHBondContact O-N 2.91Å; E167-S169 PolarHBondContact O-N 2.6Å
168	K	31.6	Very low	43.6	Very low	183 Å²	183	137.7 Å²	137.7	80%	0.796	70%	0.696	S	S	*	*			trans	-58.1	107.9	168.8	-79.4	175.9	179.5	164.5	0	109.6	E166 K170	E166-K168 PolarHBondContact O-N 2.77Å; K168-K170 PolarHBondContact O-N 3.26Å
169	S	29.9	Very low	46.4	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	67%	0.668	S	S	*	*			trans	-58.9	90.7	-171.4	51.7	0	0	0	0	113.4	E167 K171	E167-S169 PolarHBondContact O-N 2.6Å; S169-K171 VanDerWaalsContact C-N 3.26Å; S169-K171 PolarHBondContact O-N 3.4Å
170	K	36.4	Very low	49.3	Very low	145 Å²	145	126.2 Å²	126.2	63%	0.63	64%	0.64	S	S	*	*			trans	-63.4	85.5	168.9	-75.9	-167.2	178.1	-166.6	0	108.6	K168 H172 D193	K168-K170 PolarHBondContact O-N 3.26Å; K170-H172 PolarHBondContact O-N 2.95Å; K170-D193 IonicContact NZ-OD2 3.37Å; K170-D193 PolarHBondContact NZ-OD2 3.09Å
171	K	45.7	Very low	52.5	Low	181 Å²	181	118.9 Å²	118.9	79%	0.787	60%	0.604	S	S	*	*			trans	-44.2	115.7	170.9	-74.5	-177.5	178.2	175.8	0	108.8	S169 L173	S169-K171 VanDerWaalsContact C-N 3.26Å; S169-K171 PolarHBondContact O-N 3.4Å; K171-L173 PolarHBondContact O-N 3.32Å
172	H	53.8	Low	55.5	Low	173 Å²	173	112.9 Å²	112.9	80%	0.801	57%	0.574	S	S	*	*			trans	-59.2	122.6	-175.5	-80.5	-89.3	0	0	0	109.9	K170 K174	K170-H172 PolarHBondContact O-N 2.95Å; H172-K174 PolarHBondContact O-N 3.25Å
173	L	63.4	Low	58.4	Low	43 Å²	43	110.8 Å²	110.8	23%	0.225	56%	0.559	C	S	.	*			trans	-74.7	85.1	-173.8	-171.8	77.3	0	0	0	110	K171 V175 L190 L192 L211 R230	K171-L173 PolarHBondContact O-N 3.32Å; L173-V175 PolarHBondContact O-N 3.31Å; L173-L190 HydrophobicContact CD2-CD2 4.09Å; L173-L190 HydrophobicContact CD2-CG 4.42Å; L173-L192 HydrophobicContact CD2-CD2 4.04Å; L173-L211 VanDerWaalsContact O-CD1 3.3Å; L173-L211 WeakPolarHBondContact O-CD1 3.5Å; L173-R230 HydrophobicContact CD2-CG 4.29Å
174	K	76.3	Confident	61.1	Low	181 Å²	181	103.5 Å²	103.5	79%	0.787	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-66.4	131	174.8	-66.2	-173.6	178.1	-177.1	0	109.9	H172 P176	H172-K174 PolarHBondContact O-N 3.25Å; K174-P176 WeakPolarHBondContact O-CD 3.27Å
175	V	79.6	Confident	63.8	Low	19 Å²	19	104.3 Å²	104.3	12%	0.115	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-58.5	122.9	171.8	-172.5	0	0	0	0	108.7	L173 V179 L181 L190 R209 L211	L173-V175 PolarHBondContact O-N 3.31Å; V175-V179 HydrophobicContact CG1-CB 3.95Å; V175-V179 HydrophobicContact CG1-CG1 3.95Å; V175-L181 HydrophobicContact CG1-CD1 3.92Å; V175-L181 HydrophobicContact CG1-CG 4.22Å; V175-L181 HydrophobicContact CG2-CD1 3.98Å; V175-L190 HydrophobicContact CB-CD2 4.44Å; V175-L190 HydrophobicContact CG2-CD2 3.88Å; V175-R209 HydrophobicContact CB-CG 4.39Å; V175-R209 HydrophobicContact CG1-CG 4.35Å; V175-R209 HydrophobicContact CG2-CG 4.45Å; V175-L211 HydrophobicContact CG2-CD2 3.49Å; V175-L211 VanDerWaalsContact CG2-CD2 3.49Å
176	P	80.8	Confident	66.8	Low	53 Å²	53	99.5 Å²	99.5	34%	0.344	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-62.3	141.8	178.7	-22	32.7	0	0	0	111.2	K174 H178 V179	K174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-H178 VanDerWaalsContact CB-CE1 3.42Å; P176-H178 WeakPolarHBondContact CB-CE1 3.44Å; P176-H178 PolarHBondContact O-N 2.96Å; P176-V179 HydrophobicContact CB-CG2 4.09Å; P176-V179 HydrophobicContact CG-CG2 4.11Å; P176-V179 WeakPolarHBondContact O-CB 3.4Å; P176-V179 PolarHBondContact O-N 2.84Å
177	D	76	Confident	69.7	Low	140 Å²	140	90.9 Å²	90.9	75%	0.749	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.5	-174.5	-72.2	-56.6	0	0	0	114.4	V179 R209	D177-V179 VanDerWaalsContact C-N 3.33Å; D177-R209 PolarHBondContact O-NH2 2.55Å; D177-R209 IonicContact OD1-NH1 2.99Å
178	H	77.9	Confident	73	Confident	88 Å²	88	82.4 Å²	82.4	41%	0.407	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-5	178.4	69.2	-97.9	0	0	0	114.3	P176 A589 K594	P176-H178 VanDerWaalsContact CB-CE1 3.42Å; P176-H178 WeakPolarHBondContact CB-CE1 3.44Å; P176-H178 PolarHBondContact O-N 2.96Å; H178-A589 VanDerWaalsContact CB-O 3.29Å; H178-A589 WeakPolarHBondContact CB-O 3.46Å; H178-K594 WeakPolarHBondContact O-CE 3.4Å; H178-K594 PolarHBondContact O-NZ 3.47Å
179	V	83.9	Confident	76	Confident	14 Å²	14	74.1 Å²	74.1	9%	0.085	39%	0.389	C	S	.	.			trans	-90.8	130.6	173.6	174.3	0	0	0	0	108.7	V175 P176 D177 L181 R209 V233	V175-V179 HydrophobicContact CG1-CB 3.95Å; V175-V179 HydrophobicContact CG1-CG1 3.95Å; P176-V179 HydrophobicContact CB-CG2 4.09Å; P176-V179 HydrophobicContact CG-CG2 4.11Å; P176-V179 WeakPolarHBondContact O-CB 3.4Å; P176-V179 PolarHBondContact O-N 2.84Å; D177-V179 VanDerWaalsContact C-N 3.33Å; V179-L181 HydrophobicContact CG1-CD2 3.47Å; V179-L181 VanDerWaalsContact CG1-CD2 3.47Å; V179-L181 HydrophobicContact CG1-CG 3.94Å; V179-R209 PolarHBondContact O-NH2 3.01Å; V179-V233 HydrophobicContact CG1-CG2 3.69Å; V179-V233 HydrophobicContact CG2-CG2 4.07Å
180	I	86.5	Confident	79.1	Confident	35 Å²	35	69 Å²	69	18%	0.179	35%	0.353	C	S	.	.			trans	-112.5	119.9	173.4	-54.7	175	0	0	0	105.2	R188 R595 L598 Q599	I180-R188 WeakPolarHBondContact O-CB 3.43Å; I180-R595 HydrophobicContact CD1-CG 4.32Å; I180-L598 HydrophobicContact CB-CB 4.32Å; I180-L598 HydrophobicContact CB-CD1 3.91Å; I180-L598 HydrophobicContact CD1-CB 4.35Å; I180-L598 HydrophobicContact CG2-CB 3.89Å; I180-L598 HydrophobicContact CG2-CD1 4.26Å; I180-Q599 HydrophobicContact CD1-CG 3.82Å
181	L	90.7	Very high	81.9	Confident	25 Å²	25	62 Å²	62	13%	0.131	32%	0.323	C	S	.	.			trans	-102.3	148.5	177.6	-56.6	178.2	0	0	0	108.8	V175 V179 R188 L190 C207	V175-L181 HydrophobicContact CG1-CD1 3.92Å; V175-L181 HydrophobicContact CG1-CG 4.22Å; V175-L181 HydrophobicContact CG2-CD1 3.98Å; V179-L181 HydrophobicContact CG1-CD2 3.47Å; V179-L181 VanDerWaalsContact CG1-CD2 3.47Å; V179-L181 HydrophobicContact CG1-CG 3.94Å; L181-R188 WeakPolarHBondContact CA-O 3.33Å; L181-R188 WeakPolarHBondContact CB-O 3.41Å; L181-R188 HydrophobicContact CD2-CB 4.44Å; L181-R188 WeakPolarHBondContact CD2-O 3.28Å; L181-L190 HydrophobicContact CD1-CB 4Å; L181-L190 HydrophobicContact CD2-CB 3.99Å; L181-C207 WeakPolarHBondContact CB-O 3.15Å
182	S	89.4	Confident	84.2	Confident	27 Å²	27	54.5 Å²	54.5	19%	0.189	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-160.4	158.4	-168.8	49.8	0	0	0	0	111.6	N186 N187 R188	S182-N186 PolarHBondContact OG-O 3.23Å; S182-N187 CarbonylContact O-C 3.56Å; S182-N187 VanDerWaalsContact O-CA 3.24Å; S182-N187 WeakPolarHBondContact O-CA 3.21Å; S182-R188 PolarHBondContact N-O 3.38Å; S182-R188 PolarHBondContact O-N 3.31Å; S182-R188 WeakPolarHBondContact OG-CB 3.22Å; S182-R188 WeakPolarHBondContact OG-CG 3.49Å; S182-R188 PolarHBondContact OG-N 2.95Å
183	E	87.1	Confident	86.2	Confident	124 Å²	124	49.3 Å²	49.3	58%	0.579	27%	0.269	S	S	*	.			trans	-107.7	-176.6	173.5	-64.3	-176.7	173.4	0	0	111.5	C207	E183-C207 HydrophobicContact CG-CB 3.73Å; E183-C207 PolarHBondContact OE1-SG 3.48Å
184	G	85.9	Confident	87.7	Confident	47 Å²	47	49 Å²	49	49%	0.485	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	75.3	-151.2	173	0	0	0	0	0	114.2	N186 N187	G184-N186 VanDerWaalsContact C-N 3.3Å; G184-N186 PolarHBondContact O-N 3.18Å; G184-N187 WeakPolarHBondContact O-CB 3.36Å; G184-N187 PolarHBondContact O-N 3.35Å; G184-N187 PolarHBondContact O-ND2 3.41Å
185	P	83.1	Confident	88.6	Confident	98 Å²	98	45 Å²	45	64%	0.636	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-69.3	-25.8	-171.5	28	-35.1	0	0	0	113.2	H235 R400	P185-H235 PolarHBondContact O-CE1 3.44Å; P185-H235 VanDerWaalsContact O-CE1 3.27Å; P185-R400 WeakPolarHBondContact O-CD 3.37Å; P185-R400 VanDerWaalsContact O-CG 3.23Å; P185-R400 WeakPolarHBondContact O-CG 3.48Å
186	N	88	Confident	89.3	Confident	37 Å²	37	50.8 Å²	50.8	20%	0.198	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-107	43.1	172.6	-72.9	-30	0	0	0	110.6	S182 G184 R400 L598	S182-N186 PolarHBondContact OG-O 3.23Å; G184-N186 VanDerWaalsContact C-N 3.3Å; G184-N186 PolarHBondContact O-N 3.18Å; N186-R400 WeakPolarHBondContact OD1-CG 3.35Å; N186-L598 HydrophobicContact CB-CD2 4.36Å
187	N	92.2	Very high	89.8	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.032	28%	0.284	C	S	.	.			trans	-60.1	149.2	-178.9	63.5	73.4	0	0	0	112.5	S182 G184 Y189 H235 L236	S182-N187 CarbonylContact O-C 3.56Å; S182-N187 VanDerWaalsContact O-CA 3.24Å; S182-N187 WeakPolarHBondContact O-CA 3.21Å; G184-N187 WeakPolarHBondContact O-CB 3.36Å; G184-N187 PolarHBondContact O-N 3.35Å; G184-N187 PolarHBondContact O-ND2 3.41Å; N187-Y189 HydrophobicContact CB-CD2 4.13Å; N187-Y189 HydrophobicContact CB-CE2 3.74Å; N187-H235 VanDerWaalsContact CG-ND1 3.29Å; N187-H235 PolarHBondContact ND2-CE1 2.66Å; N187-H235 VanDerWaalsContact ND2-CE1 3.33Å; N187-H235 PolarHBondContact ND2-ND1 3.49Å; N187-H235 PolarHBondContact O-ND1 3.3Å; N187-H235 WeakPolarHBondContact OD1-CA 3.44Å; N187-H235 PolarHBondContact OD1-ND1 3.46Å; N187-L236 PolarHBondContact ND2-O 3.19Å; N187-L236 PolarHBondContact OD1-N 3.07Å
188	R	94.2	Very high	90.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-142.4	105.8	179.4	-68.7	-67	-178.4	-93.1	8.6	107.9	I180 L181 S182 V233 P258 D259 P399 L598	I180-R188 WeakPolarHBondContact O-CB 3.43Å; L181-R188 WeakPolarHBondContact CA-O 3.33Å; L181-R188 WeakPolarHBondContact CB-O 3.41Å; L181-R188 HydrophobicContact CD2-CB 4.44Å; L181-R188 WeakPolarHBondContact CD2-O 3.28Å; S182-R188 PolarHBondContact N-O 3.38Å; S182-R188 PolarHBondContact O-N 3.31Å; S182-R188 WeakPolarHBondContact OG-CB 3.22Å; S182-R188 WeakPolarHBondContact OG-CG 3.49Å; S182-R188 PolarHBondContact OG-N 2.95Å; R188-V233 HydrophobicContact CB-CG1 4.23Å; R188-P258 VanDerWaalsContact CZ-CG 3.42Å; R188-D259 IonicContact CZ-OD1 3.24Å; R188-D259 IonicContact CZ-OD2 3.5Å; R188-D259 IonicContact NE-OD1 2.92Å; R188-D259 PolarHBondContact NE-OD1 2.91Å; R188-D259 VanDerWaalsContact NE-OD1 3.17Å; R188-D259 IonicContact NE-OD2 3.22Å; R188-D259 PolarHBondContact NE-OD2 3.26Å; R188-D259 IonicContact NH2-OD1 3.01Å; R188-D259 PolarHBondContact NH2-OD1 3.22Å; R188-D259 IonicContact NH2-OD2 3.02Å; R188-P399 PolarHBondContact NH1-O 2.9Å; R188-P399 PolarHBondContact NH2-O 3.25Å; R188-L598 HydrophobicContact CG-CD1 3.92Å; R188-L598 HydrophobicContact CG-CD2 3.88Å
189	Y	94.8	Very high	90.8	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.2	-179.6	-74.8	-86.3	0	0	0	110.3	N187 I205 S206 C207 E215 V233 V234 L236 W245	N187-Y189 HydrophobicContact CB-CD2 4.13Å; N187-Y189 HydrophobicContact CB-CE2 3.74Å; Y189-I205 HydrophobicContact CD1-CB 4.19Å; Y189-I205 HydrophobicContact CD1-CD1 3.67Å; Y189-I205 HydrophobicContact CD1-CG1 3.81Å; Y189-I205 HydrophobicContact CD2-CD1 4.4Å; Y189-I205 HydrophobicContact CE1-CD1 4.1Å; Y189-I205 HydrophobicContact CE1-CG1 4.35Å; Y189-I205 HydrophobicContact CG-CD1 3.84Å; Y189-I205 HydrophobicContact CG-CG1 4.34Å; Y189-S206 WeakPolarHBondContact CA-O 3.29Å; Y189-C207 HydrophobicContact CD1-CB 4.03Å; Y189-C207 HydrophobicContact CE1-CB 3.79Å; Y189-E215 WeakPolarHBondContact CE1-OE1 3.25Å; Y189-E215 VanDerWaalsContact CZ-OE1 3.24Å; Y189-E215 PolarHBondContact OH-OE1 3.16Å; Y189-V233 CarbonylContact O-C 3.57Å; Y189-V233 WeakPolarHBondContact O-CA 3.24Å; Y189-V234 PolarHBondContact N-O 3.11Å; Y189-V234 PolarHBondContact O-N 2.89Å; Y189-L236 HydrophobicContact CD2-CD1 4.41Å; Y189-W245 HydrophobicContact CE2-CZ2 4.16Å
190	L	95.5	Very high	91.2	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.4	168.6	-173.7	68.3	0	0	0	109.5	L173 V175 L181 L192 I205 S206 L211 G231 V233	L173-L190 HydrophobicContact CD2-CD2 4.09Å; L173-L190 HydrophobicContact CD2-CG 4.42Å; V175-L190 HydrophobicContact CB-CD2 4.44Å; V175-L190 HydrophobicContact CG2-CD2 3.88Å; L181-L190 HydrophobicContact CD1-CB 4Å; L181-L190 HydrophobicContact CD2-CB 3.99Å; L190-L192 HydrophobicContact CB-CD2 4.3Å; L190-L192 HydrophobicContact CD2-CD2 3.96Å; L190-L192 HydrophobicContact CG-CD2 4.09Å; L190-L192 PolarHBondContact O-N 3.36Å; L190-I205 VanDerWaalsContact O-CA 3.3Å; L190-I205 WeakPolarHBondContact O-CA 3.43Å; L190-S206 PolarHBondContact N-O 3.18Å; L190-S206 PolarHBondContact O-N 3.04Å; L190-L211 HydrophobicContact CD2-CD2 4.21Å; L190-G231 WeakPolarHBondContact CD1-O 3.39Å; L190-V233 HydrophobicContact CD1-CG2 4.27Å
191	V	95.6	Very high	91.7	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.9	175.2	-178.9	0	0	0	0	109.6	V194 L203 I205 V228 G231 D232 V234	V191-V194 HydrophobicContact CG1-CG2 3.53Å; V191-L203 HydrophobicContact CG1-CD2 4.38Å; V191-I205 HydrophobicContact CG2-CG2 4.25Å; V191-V228 HydrophobicContact CG1-CG1 4.4Å; V191-V228 HydrophobicContact CG2-CG1 3.78Å; V191-G231 PolarHBondContact O-N 2.82Å; V191-D232 HydrophobicContact CG2-CB 4.34Å; V191-D232 PolarHBondContact N-O 2.76Å; V191-V234 HydrophobicContact CG2-CG1 3.83Å; V191-V234 HydrophobicContact CG2-CG2 4.08Å
192	L	94.1	Very high	91.9	Very high	23 Å²	23	52.1 Å²	52.1	12%	0.12	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-32.4	-174.5	-53.5	-173.3	0	0	0	113.1	L173 L190 T204 L211 T214 R230	L173-L192 HydrophobicContact CD2-CD2 4.04Å; L190-L192 HydrophobicContact CB-CD2 4.3Å; L190-L192 HydrophobicContact CD2-CD2 3.96Å; L190-L192 HydrophobicContact CG-CD2 4.09Å; L190-L192 PolarHBondContact O-N 3.36Å; L192-T204 HydrophobicContact CB-CG2 4.42Å; L192-T204 WeakPolarHBondContact CB-O 3.5Å; L192-T204 PolarHBondContact N-O 3.01Å; L192-L211 HydrophobicContact CD1-CB 4.25Å; L192-L211 HydrophobicContact CD2-CD2 3.9Å; L192-T214 HydrophobicContact CD1-CG2 3.68Å; L192-R230 VanDerWaalsContact O-CD 3.31Å; L192-R230 WeakPolarHBondContact O-CD 3.32Å; L192-R230 WeakPolarHBondContact O-CG 3.28Å; L192-R230 PolarHBondContact O-NE 3.06Å
193	D	94.4	Very high	92.3	Very high	64 Å²	64	50.9 Å²	50.9	34%	0.342	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.7	174.5	-137.9	-22.9	0	0	0	110.8	K170 T204	K170-D193 IonicContact NZ-OD2 3.37Å; K170-D193 PolarHBondContact NZ-OD2 3.09Å; D193-T204 PolarHBondContact N-O 2.96Å; D193-T204 PolarHBondContact O-N 3Å
194	V	95.7	Very high	92.7	Very high	36 Å²	36	47.1 Å²	47.1	22%	0.218	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116.6	-177.4	-178.4	0	0	0	0	110.1	V191 E196 K201 L203	V191-V194 HydrophobicContact CG1-CG2 3.53Å; V194-E196 HydrophobicContact CG1-CG 4.41Å; V194-K201 HydrophobicContact CG1-CD 4.16Å; V194-K201 HydrophobicContact CG1-CG 4.16Å; V194-L203 HydrophobicContact CB-CD2 4.35Å; V194-L203 HydrophobicContact CG1-CD2 3.95Å; V194-L203 HydrophobicContact CG2-CD2 3.85Å
195	E	95.6	Very high	93.1	Very high	98 Å²	98	44.9 Å²	44.9	46%	0.458	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121	171.3	-62.8	-174.7	174.5	0	0	110.7	K197 K201 S202	E195-K197 WeakPolarHBondContact OE2-CE 3.5Å; E195-K197 IonicContact OE2-NZ 3.36Å; E195-K197 PolarHBondContact OE2-NZ 3.39Å; E195-K201 WeakPolarHBondContact O-CA 3.42Å; E195-S202 PolarHBondContact N-O 3.07Å; E195-S202 PolarHBondContact O-N 3.32Å
196	E	93.3	Very high	93.6	Very high	140 Å²	140	40.3 Å²	40.3	65%	0.654	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	130	170.5	-60.4	-162.2	160.2	0	0	110.8	V194 K201	V194-E196 HydrophobicContact CG1-CG 4.41Å; E196-K201 VanDerWaalsContact CG-CE 3.49Å; E196-K201 WeakPolarHBondContact OE1-CE 3.38Å; E196-K201 IonicContact OE1-NZ 2.68Å; E196-K201 PolarHBondContact OE1-NZ 3.34Å
197	K	91.2	Very high	93.7	Very high	102 Å²	102	38.9 Å²	38.9	44%	0.443	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.8	177.8	-73.3	167.2	-177.1	159.3	0	109.2	E195 G199 H200	E195-K197 WeakPolarHBondContact OE2-CE 3.5Å; E195-K197 IonicContact OE2-NZ 3.36Å; E195-K197 PolarHBondContact OE2-NZ 3.39Å; K197-G199 PolarHBondContact O-N 2.95Å; K197-G199 VanDerWaalsContact O-N 3.09Å; K197-H200 CarbonylContact C-O 3.48Å; K197-H200 WeakPolarHBondContact CB-CE1 3.47Å; K197-H200 WeakPolarHBondContact CD-NE2 3.17Å; K197-H200 PolarHBondContact N-O 2.94Å; K197-H200 PolarHBondContact O-N 3.07Å; K197-H200 VanDerWaalsContact O-N 3.11Å
198	P	88.5	Confident	93.4	Very high	131 Å²	131	40.3 Å²	40.3	85%	0.851	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	121.5	177.2	-28.5	36.6	0	0	0	112.1	H200	P198-H200 VanDerWaalsContact C-N 3.29Å; P198-H200 PolarHBondContact O-N 3.35Å; P198-H200 PolarHBondContact O-ND1 2.84Å; P198-H200 VanDerWaalsContact O-ND1 3.1Å
199	G	87.3	Confident	93	Very high	56 Å²	56	47 Å²	47	58%	0.577	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	7.5	178.7	0	0	0	0	0	116.9	K197	K197-G199 PolarHBondContact O-N 2.95Å; K197-G199 VanDerWaalsContact O-N 3.09Å
200	H	92.5	Very high	92.6	Very high	59 Å²	59	50.3 Å²	50.3	27%	0.273	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	151	173.8	64.2	-72.3	0	0	0	114	K197 P198 L218 L219 K220	K197-H200 CarbonylContact C-O 3.48Å; K197-H200 WeakPolarHBondContact CB-CE1 3.47Å; K197-H200 WeakPolarHBondContact CD-NE2 3.17Å; K197-H200 PolarHBondContact N-O 2.94Å; K197-H200 PolarHBondContact O-N 3.07Å; K197-H200 VanDerWaalsContact O-N 3.11Å; P198-H200 VanDerWaalsContact C-N 3.29Å; P198-H200 PolarHBondContact O-N 3.35Å; P198-H200 PolarHBondContact O-ND1 2.84Å; P198-H200 VanDerWaalsContact O-ND1 3.1Å; H200-L218 HydrophobicContact CB-CD1 4.07Å; H200-L219 VanDerWaalsContact CA-O 3.32Å; H200-L219 WeakPolarHBondContact CA-O 3.25Å; H200-K220 HydrophobicContact CB-CG 4.02Å
201	K	95.9	Very high	92.1	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.03	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.3	174.2	167.5	174.1	-78.4	163.3	0	109.2	V194 E195 E196 L203 L219 E224 T226	V194-K201 HydrophobicContact CG1-CD 4.16Å; V194-K201 HydrophobicContact CG1-CG 4.16Å; E195-K201 WeakPolarHBondContact O-CA 3.42Å; E196-K201 VanDerWaalsContact CG-CE 3.49Å; E196-K201 WeakPolarHBondContact OE1-CE 3.38Å; E196-K201 IonicContact OE1-NZ 2.68Å; E196-K201 PolarHBondContact OE1-NZ 3.34Å; K201-L203 HydrophobicContact CD-CD2 4.14Å; K201-L203 HydrophobicContact CG-CD2 3.97Å; K201-L219 HydrophobicContact CB-CB 4.23Å; K201-L219 HydrophobicContact CB-CD1 4.41Å; K201-L219 HydrophobicContact CD-CD1 3.96Å; K201-L219 HydrophobicContact CG-CD1 4.15Å; K201-L219 PolarHBondContact N-O 2.94Å; K201-L219 PolarHBondContact O-N 3.14Å; K201-E224 HydrophobicContact CB-CB 3.7Å; K201-E224 WeakPolarHBondContact CE-O 3.4Å; K201-E224 PolarHBondContact NZ-O 2.98Å; K201-T226 PolarHBondContact NZ-O 3.43Å
202	S	95.9	Very high	91.5	Very high	28 Å²	28	57.8 Å²	57.8	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.1	175.7	-166	0	0	0	0	109.7	E195	E195-S202 PolarHBondContact N-O 3.07Å; E195-S202 PolarHBondContact O-N 3.32Å
203	L	96.6	Very high	91.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	175.7	-50.1	178.1	0	0	0	109.2	V191 V194 K201 I205 T216 C217 L219 V228 L254	V191-L203 HydrophobicContact CG1-CD2 4.38Å; V194-L203 HydrophobicContact CB-CD2 4.35Å; V194-L203 HydrophobicContact CG1-CD2 3.95Å; V194-L203 HydrophobicContact CG2-CD2 3.85Å; K201-L203 HydrophobicContact CD-CD2 4.14Å; K201-L203 HydrophobicContact CG-CD2 3.97Å; L203-I205 HydrophobicContact CB-CG2 3.8Å; L203-T216 CarbonylContact O-C 3.59Å; L203-T216 WeakPolarHBondContact O-CA 3.45Å; L203-C217 HydrophobicContact CB-CB 4.24Å; L203-C217 HydrophobicContact CD1-CB 4.46Å; L203-C217 PolarHBondContact N-O 2.88Å; L203-C217 PolarHBondContact O-N 3.37Å; L203-L219 HydrophobicContact CD1-CD1 4.19Å; L203-L219 HydrophobicContact CG-CD1 4.47Å; L203-V228 HydrophobicContact CD1-CG1 4.15Å; L203-V228 HydrophobicContact CD2-CB 4.46Å; L203-V228 HydrophobicContact CD2-CG1 4.19Å; L203-L254 HydrophobicContact CD1-CD1 3.58Å
204	T	95.7	Very high	91.1	Very high	46 Å²	46	60.8 Å²	60.8	28%	0.282	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.4	164.4	-57.7	0	0	0	0	107.8	L192 D193 T214	L192-T204 HydrophobicContact CB-CG2 4.42Å; L192-T204 WeakPolarHBondContact CB-O 3.5Å; L192-T204 PolarHBondContact N-O 3.01Å; D193-T204 PolarHBondContact N-O 2.96Å; D193-T204 PolarHBondContact O-N 3Å; T204-T214 HydrophobicContact CG2-CG2 4.2Å
205	I	95.1	Very high	91	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.9	-168.4	66	177.9	0	0	0	112.5	Y189 L190 V191 L203 T214 E215 C217 L236	Y189-I205 HydrophobicContact CD1-CB 4.19Å; Y189-I205 HydrophobicContact CD1-CD1 3.67Å; Y189-I205 HydrophobicContact CD1-CG1 3.81Å; Y189-I205 HydrophobicContact CD2-CD1 4.4Å; Y189-I205 HydrophobicContact CE1-CD1 4.1Å; Y189-I205 HydrophobicContact CE1-CG1 4.35Å; Y189-I205 HydrophobicContact CG-CD1 3.84Å; Y189-I205 HydrophobicContact CG-CG1 4.34Å; L190-I205 VanDerWaalsContact O-CA 3.3Å; L190-I205 WeakPolarHBondContact O-CA 3.43Å; V191-I205 HydrophobicContact CG2-CG2 4.25Å; L203-I205 HydrophobicContact CB-CG2 3.8Å; I205-T214 CarbonylContact O-C 3.53Å; I205-T214 VanDerWaalsContact O-CA 3.27Å; I205-T214 WeakPolarHBondContact O-CA 3.44Å; I205-E215 HydrophobicContact CD1-CB 4.28Å; I205-E215 HydrophobicContact CG1-CB 3.86Å; I205-E215 WeakPolarHBondContact CG1-O 3.32Å; I205-E215 PolarHBondContact N-O 3.46Å; I205-E215 PolarHBondContact O-N 3.45Å; I205-C217 HydrophobicContact CD1-CB 4.07Å; I205-L236 HydrophobicContact CD1-CD1 3.58Å
206	S	93.7	Very high	90.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.7	170	-173.3	0	0	0	0	113.3	Y189 L190 C208 P213	Y189-S206 WeakPolarHBondContact CA-O 3.29Å; L190-S206 PolarHBondContact N-O 3.18Å; L190-S206 PolarHBondContact O-N 3.04Å; S206-C208 PolarHBondContact OG-N 2.96Å; S206-P213 WeakPolarHBondContact CB-O 3.36Å; S206-P213 PolarHBondContact OG-O 2.93Å
207	C	89.9	Confident	91	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.054	30%	0.303	C	S	.	.	S	Bend	trans	-85.5	-4	173.3	51.8	0	0	0	0	113.6	L181 E183 Y189	L181-C207 WeakPolarHBondContact CB-O 3.15Å; E183-C207 HydrophobicContact CG-CB 3.73Å; E183-C207 PolarHBondContact OE1-SG 3.48Å; Y189-C207 HydrophobicContact CD1-CB 4.03Å; Y189-C207 HydrophobicContact CE1-CB 3.79Å
208	C	86.8	Confident	91.2	Very high	36 Å²	36	49.8 Å²	49.8	24%	0.243	29%	0.294	C	S	.	.	S	Bend	trans	-117.1	144.7	-168.2	-74.5	0	0	0	0	113.4	S206 S210 L211 L212	S206-C208 PolarHBondContact OG-N 2.96Å; C208-S210 VanDerWaalsContact CB-OG 3.31Å; C208-S210 WeakPolarHBondContact CB-OG 3.44Å; C208-S210 PolarHBondContact O-N 3.41Å; C208-L211 PolarHBondContact O-N 2.66Å; C208-L212 WeakPolarHBondContact CB-O 3.27Å
209	R	85.6	Confident	91.6	Very high	139 Å²	139	43.5 Å²	43.5	53%	0.525	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	174.4	-81.1	-168.5	172.5	-143.9	-7.5	114.1	V175 D177 V179 L211	V175-R209 HydrophobicContact CB-CG 4.39Å; V175-R209 HydrophobicContact CG1-CG 4.35Å; V175-R209 HydrophobicContact CG2-CG 4.45Å; D177-R209 PolarHBondContact O-NH2 2.55Å; D177-R209 IonicContact OD1-NH1 2.99Å; V179-R209 PolarHBondContact O-NH2 3.01Å; R209-L211 PolarHBondContact O-N 2.69Å
210	S	85.1	Confident	91.9	Very high	81 Å²	81	44.6 Å²	44.6	57%	0.566	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.3	168.1	40.4	0	0	0	0	114.1	C208 L212	C208-S210 VanDerWaalsContact CB-OG 3.31Å; C208-S210 WeakPolarHBondContact CB-OG 3.44Å; C208-S210 PolarHBondContact O-N 3.41Å; S210-L212 PolarHBondContact O-N 2.7Å; S210-L212 VanDerWaalsContact O-N 3.12Å; S210-L212 PolarHBondContact OG-O 3.5Å
211	L	85.8	Confident	91.9	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.22	25%	0.246	C	C	.	.			trans	61.6	6.6	-168.9	-43.5	173.5	0	0	0	114.3	L173 V175 L190 L192 C208 R209 T214	L173-L211 VanDerWaalsContact O-CD1 3.3Å; L173-L211 WeakPolarHBondContact O-CD1 3.5Å; V175-L211 HydrophobicContact CG2-CD2 3.49Å; V175-L211 VanDerWaalsContact CG2-CD2 3.49Å; L190-L211 HydrophobicContact CD2-CD2 4.21Å; L192-L211 HydrophobicContact CD1-CB 4.25Å; L192-L211 HydrophobicContact CD2-CD2 3.9Å; C208-L211 PolarHBondContact O-N 2.66Å; R209-L211 PolarHBondContact O-N 2.69Å; L211-T214 WeakPolarHBondContact O-CG2 3.27Å
212	L	83.9	Confident	91.7	Very high	116 Å²	116	45 Å²	45	61%	0.607	25%	0.25	S	C	*	.			trans	-137	137.2	-177.6	-74	169.2	0	0	0	109.2	C208 S210 T214	C208-L212 WeakPolarHBondContact CB-O 3.27Å; S210-L212 PolarHBondContact O-N 2.7Å; S210-L212 VanDerWaalsContact O-N 3.12Å; S210-L212 PolarHBondContact OG-O 3.5Å; L212-T214 HydrophobicContact CD2-CG2 4.27Å
213	P	87.6	Confident	91.6	Very high	81 Å²	81	43.6 Å²	43.6	53%	0.526	24%	0.24	S	C	.	.	S	Bend	cis	-68	161.8	0	30.8	-36.6	0	0	0	113	S206	S206-P213 WeakPolarHBondContact CB-O 3.36Å; S206-P213 PolarHBondContact OG-O 2.93Å
214	T	91.1	Very high	91.5	Very high	70 Å²	70	45.5 Å²	45.5	43%	0.429	25%	0.249	S	C	.	.			trans	-104.3	130	170.3	52.3	0	0	0	0	110.1	L192 T204 I205 L211 L212	L192-T214 HydrophobicContact CD1-CG2 3.68Å; T204-T214 HydrophobicContact CG2-CG2 4.2Å; I205-T214 CarbonylContact O-C 3.53Å; I205-T214 VanDerWaalsContact O-CA 3.27Å; I205-T214 WeakPolarHBondContact O-CA 3.44Å; L211-T214 WeakPolarHBondContact O-CG2 3.27Å; L212-T214 HydrophobicContact CD2-CG2 4.27Å
215	E	93.8	Very high	91.4	Very high	28 Å²	28	49.9 Å²	49.9	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	168.5	166.3	-72.6	-173.6	-101.6	0	0	110.3	Y189 I205 S240 G243 W245	Y189-E215 WeakPolarHBondContact CE1-OE1 3.25Å; Y189-E215 VanDerWaalsContact CZ-OE1 3.24Å; Y189-E215 PolarHBondContact OH-OE1 3.16Å; I205-E215 HydrophobicContact CD1-CB 4.28Å; I205-E215 HydrophobicContact CG1-CB 3.86Å; I205-E215 WeakPolarHBondContact CG1-O 3.32Å; I205-E215 PolarHBondContact N-O 3.46Å; I205-E215 PolarHBondContact O-N 3.45Å; E215-S240 WeakPolarHBondContact OE2-CB 3.25Å; E215-S240 PolarHBondContact OE2-OG 3.23Å; E215-G243 WeakPolarHBondContact CA-O 3.4Å; E215-G243 WeakPolarHBondContact CB-O 3.36Å; E215-W245 PolarHBondContact OE2-NE1 3.17Å
216	T	93.9	Very high	91.3	Very high	64 Å²	64	50.1 Å²	50.1	39%	0.393	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.5	173.4	56.3	0	0	0	0	110.5	L203 G243 A244 W245	L203-T216 CarbonylContact O-C 3.59Å; L203-T216 WeakPolarHBondContact O-CA 3.45Å; T216-G243 PolarHBondContact N-O 3.17Å; T216-A244 WeakPolarHBondContact O-CA 3.39Å; T216-W245 PolarHBondContact O-N 2.89Å
217	C	95.8	Very high	91.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.2	173.7	-177.7	0	0	0	0	110.6	L203 I205 L236 W245	L203-C217 HydrophobicContact CB-CB 4.24Å; L203-C217 HydrophobicContact CD1-CB 4.46Å; L203-C217 PolarHBondContact N-O 2.88Å; L203-C217 PolarHBondContact O-N 3.37Å; I205-C217 HydrophobicContact CD1-CB 4.07Å; C217-L236 HydrophobicContact CB-CD1 4.11Å; C217-W245 WeakPolarHBondContact CA-O 3.31Å; C217-W245 HydrophobicContact CB-CB 4Å
218	L	95.1	Very high	91.5	Very high	52 Å²	52	50.8 Å²	50.8	27%	0.272	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.5	-175.3	-178.6	57.1	0	0	0	110.3	H200 K220 W245 L246 V247	H200-L218 HydrophobicContact CB-CD1 4.07Å; L218-K220 HydrophobicContact CG-CG 4.44Å; L218-W245 PolarHBondContact N-O 3.21Å; L218-L246 HydrophobicContact CB-CD1 4.32Å; L218-L246 HydrophobicContact CD2-CD1 4.33Å; L218-L246 HydrophobicContact CG-CD1 4.25Å; L218-V247 PolarHBondContact O-N 2.91Å
219	L	96.2	Very high	91.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.4	-179.6	-47.8	-174.3	0	0	0	110.6	H200 K201 L203 W223 V247 L254	H200-L219 VanDerWaalsContact CA-O 3.32Å; H200-L219 WeakPolarHBondContact CA-O 3.25Å; K201-L219 HydrophobicContact CB-CB 4.23Å; K201-L219 HydrophobicContact CB-CD1 4.41Å; K201-L219 HydrophobicContact CD-CD1 3.96Å; K201-L219 HydrophobicContact CG-CD1 4.15Å; K201-L219 PolarHBondContact N-O 2.94Å; K201-L219 PolarHBondContact O-N 3.14Å; L203-L219 HydrophobicContact CD1-CD1 4.19Å; L203-L219 HydrophobicContact CG-CD1 4.47Å; L219-W223 HydrophobicContact CB-CB 3.88Å; L219-V247 WeakPolarHBondContact CA-O 3.48Å; L219-V247 HydrophobicContact CD2-CB 3.77Å; L219-V247 HydrophobicContact CD2-CG1 4.3Å; L219-V247 HydrophobicContact CD2-CG2 4.15Å; L219-L254 HydrophobicContact CD1-CD1 4.06Å; L219-L254 HydrophobicContact CD2-CB 4.42Å; L219-L254 HydrophobicContact CD2-CD1 3.79Å
220	K	94	Very high	92	Very high	79 Å²	79	53.7 Å²	53.7	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	175.7	-178.6	-68.3	-172.7	178	176	0	112.9	H200 L218 G222 W223 E224 L246 V247 D248	H200-K220 HydrophobicContact CB-CG 4.02Å; L218-K220 HydrophobicContact CG-CG 4.44Å; K220-G222 VanDerWaalsContact C-N 3.3Å; K220-G222 PolarHBondContact O-N 2.85Å; K220-W223 WeakPolarHBondContact O-CB 3.45Å; K220-W223 VanDerWaalsContact O-CD1 3.26Å; K220-W223 PolarHBondContact O-N 3.36Å; K220-E224 VanDerWaalsContact CA-OE2 3.24Å; K220-E224 WeakPolarHBondContact CA-OE2 3.37Å; K220-L246 HydrophobicContact CD-CD1 4.41Å; K220-V247 PolarHBondContact N-O 3.48Å; K220-D248 HydrophobicContact CB-CB 4.36Å
221	D	92.6	Very high	92.3	Very high	62 Å²	62	51.5 Å²	51.5	33%	0.332	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	40.1	173.1	-72.2	-88.4	0	0	0	113.6	E224 R249 R487	D221-E224 PolarHBondContact N-OE2 3.32Å; D221-R249 HydrophobicContact CB-CB 3.83Å; D221-R249 IonicContact OD1-CZ 2.98Å; D221-R249 VanDerWaalsContact OD1-CZ 3.24Å; D221-R249 IonicContact OD1-NE 3.63Å; D221-R249 PolarHBondContact OD1-NE 3.23Å; D221-R249 IonicContact OD1-NH2 3.88Å; D221-R249 PolarHBondContact OD1-NH2 3.48Å; D221-R487 PolarHBondContact O-NH2 2.95Å
222	G	91.3	Very high	92.6	Very high	11 Å²	11	49.9 Å²	49.9	11%	0.113	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	4.2	-177.8	0	0	0	0	0	114.7	K220 E224 K491	K220-G222 VanDerWaalsContact C-N 3.3Å; K220-G222 PolarHBondContact O-N 2.85Å; G222-E224 WeakPolarHBondContact CA-OE1 3.41Å; G222-E224 WeakPolarHBondContact CA-OE2 3.31Å; G222-E224 PolarHBondContact N-OE1 3.06Å; G222-E224 PolarHBondContact N-OE2 2.68Å; G222-K491 WeakPolarHBondContact O-CE 3.24Å; G222-K491 PolarHBondContact O-NZ 3.17Å
223	W	95	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-78.7	-24.5	164.9	-74.7	111	0	0	0	112.2	L219 K220 L225 T226 V247 D248 F253 L254 R487 L490 K491	L219-W223 HydrophobicContact CB-CB 3.88Å; K220-W223 WeakPolarHBondContact O-CB 3.45Å; K220-W223 VanDerWaalsContact O-CD1 3.26Å; K220-W223 PolarHBondContact O-N 3.36Å; W223-L225 PolarHBondContact O-N 3.04Å; W223-T226 VanDerWaalsContact O-CB 3.24Å; W223-T226 WeakPolarHBondContact O-CB 3.49Å; W223-T226 PolarHBondContact O-N 2.64Å; W223-T226 PolarHBondContact O-OG1 3.34Å; W223-V247 HydrophobicContact CB-CG1 4.45Å; W223-V247 HydrophobicContact CD2-CG1 3.68Å; W223-V247 HydrophobicContact CE3-CG1 4.32Å; W223-V247 HydrophobicContact CG-CG1 3.78Å; W223-V247 HydrophobicContact CZ2-CG1 4.03Å; W223-D248 VanDerWaalsContact CD1-O 3.27Å; W223-D248 PolarHBondContact NE1-O 2.86Å; W223-F253 HydrophobicContact CH2-CB 4.15Å; W223-F253 HydrophobicContact CH2-CD1 4.09Å; W223-F253 HydrophobicContact CZ2-CB 4.39Å; W223-F253 AromaticContact CZ2-CD1 3.86Å; W223-F253 HydrophobicContact CZ2-CD1 3.86Å; W223-L254 HydrophobicContact CZ3-CB 4.5Å; W223-R487 HydrophobicContact CH2-CG 4.37Å; W223-R487 HydrophobicContact CZ2-CB 4.03Å; W223-R487 HydrophobicContact CZ2-CG 3.53Å; W223-L490 HydrophobicContact CH2-CB 4.33Å; W223-K491 HydrophobicContact CD2-CD 4.21Å; W223-K491 HydrophobicContact CD2-CG 4.13Å; W223-K491 HydrophobicContact CE3-CD 4.15Å; W223-K491 HydrophobicContact CE3-CG 3.57Å; W223-K491 HydrophobicContact CH2-CG 4.12Å; W223-K491 HydrophobicContact CZ3-CD 4.43Å; W223-K491 HydrophobicContact CZ3-CG 3.55Å
224	E	93.9	Very high	93.5	Very high	40 Å²	40	41.5 Å²	41.5	19%	0.187	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.1	173.5	66.3	-73.4	169.4	0	0	113	K201 K220 D221 G222 T226	K201-E224 HydrophobicContact CB-CB 3.7Å; K201-E224 WeakPolarHBondContact CE-O 3.4Å; K201-E224 PolarHBondContact NZ-O 2.98Å; K220-E224 VanDerWaalsContact CA-OE2 3.24Å; K220-E224 WeakPolarHBondContact CA-OE2 3.37Å; D221-E224 PolarHBondContact N-OE2 3.32Å; G222-E224 WeakPolarHBondContact CA-OE1 3.41Å; G222-E224 WeakPolarHBondContact CA-OE2 3.31Å; G222-E224 PolarHBondContact N-OE1 3.06Å; G222-E224 PolarHBondContact N-OE2 2.68Å; E224-T226 PolarHBondContact O-N 3.17Å
225	L	93	Very high	93.7	Very high	138 Å²	138	38.1 Å²	38.1	72%	0.723	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-2	172.1	-57.8	178.5	0	0	0	114	W223	W223-L225 PolarHBondContact O-N 3.04Å
226	T	93.8	Very high	93.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	-70	128.8	176.8	-48.1	0	0	0	0	109.6	K201 W223 E224 V228 L254 N494	K201-T226 PolarHBondContact NZ-O 3.43Å; W223-T226 VanDerWaalsContact O-CB 3.24Å; W223-T226 WeakPolarHBondContact O-CB 3.49Å; W223-T226 PolarHBondContact O-N 2.64Å; W223-T226 PolarHBondContact O-OG1 3.34Å; E224-T226 PolarHBondContact O-N 3.17Å; T226-V228 HydrophobicContact CG2-CG2 3.69Å; T226-V228 PolarHBondContact O-N 2.76Å; T226-L254 HydrophobicContact CG2-CD2 4.16Å; T226-N494 HydrophobicContact CG2-CB 3.83Å
227	P	93.1	Very high	93.8	Very high	20 Å²	20	35.8 Å²	35.8	13%	0.13	18%	0.18	C	C	.	.			trans	-79.8	65.8	-176	34	-38	0	0	0	111.6	Y229 L256 H498	P227-Y229 HydrophobicContact CB-CE2 3.98Å; P227-Y229 WeakPolarHBondContact O-CD2 3.4Å; P227-Y229 WeakPolarHBondContact O-CE2 3Å; P227-L256 HydrophobicContact CG-CD2 4.36Å; P227-L256 VanDerWaalsContact O-CD2 3.25Å; P227-L256 WeakPolarHBondContact O-CD2 3.49Å; P227-H498 HydrophobicContact CB-CB 4.31Å; P227-H498 HydrophobicContact CG-CB 3.61Å; P227-H498 PolarHBondContact O-ND1 3.28Å
228	V	94.1	Very high	93.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	20%	0.202	C	C	.	.			trans	-94.8	129.8	176.3	-172.4	0	0	0	0	109.4	V191 L203 T226 D232 V234 L254 L256	V191-V228 HydrophobicContact CG1-CG1 4.4Å; V191-V228 HydrophobicContact CG2-CG1 3.78Å; L203-V228 HydrophobicContact CD1-CG1 4.15Å; L203-V228 HydrophobicContact CD2-CB 4.46Å; L203-V228 HydrophobicContact CD2-CG1 4.19Å; T226-V228 HydrophobicContact CG2-CG2 3.69Å; T226-V228 PolarHBondContact O-N 2.76Å; V228-D232 HydrophobicContact CG1-CB 4.36Å; V228-V234 HydrophobicContact CG1-CG1 3.96Å; V228-L254 HydrophobicContact CG2-CD1 4.4Å; V228-L254 HydrophobicContact CG2-CD2 3.83Å; V228-L256 HydrophobicContact CG1-CD1 4.32Å; V228-L256 HydrophobicContact CG2-CD1 4.27Å
229	Y	91.9	Very high	92.5	Very high	123 Å²	123	45.9 Å²	45.9	48%	0.482	23%	0.229	S	C	.	.			trans	-123	163.8	-178	-64.1	-88.9	0	0	0	112.5	P227 G231 D232 H498	P227-Y229 HydrophobicContact CB-CE2 3.98Å; P227-Y229 WeakPolarHBondContact O-CD2 3.4Å; P227-Y229 WeakPolarHBondContact O-CE2 3Å; Y229-G231 PolarHBondContact O-N 2.9Å; Y229-D232 PolarHBondContact N-OD2 2.82Å; Y229-D232 WeakPolarHBondContact O-CB 3.45Å; Y229-D232 PolarHBondContact O-N 3.19Å; Y229-D232 VanDerWaalsContact O-N 3.07Å; Y229-H498 AromaticContact CE2-CE1 3.44Å; Y229-H498 VanDerWaalsContact CE2-CE1 3.44Å; Y229-H498 WeakPolarHBondContact CE2-CE1 3.39Å; Y229-H498 AromaticContact CE2-ND1 3.8Å
230	R	91.7	Very high	91.9	Very high	113 Å²	113	47.9 Å²	47.9	43%	0.426	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	123.1	174.3	-177.1	173.4	-173.7	-126.6	-4.1	110.5	L173 L192	L173-R230 HydrophobicContact CD2-CG 4.29Å; L192-R230 VanDerWaalsContact O-CD 3.31Å; L192-R230 WeakPolarHBondContact O-CD 3.32Å; L192-R230 WeakPolarHBondContact O-CG 3.28Å; L192-R230 PolarHBondContact O-NE 3.06Å
231	G	89.9	Confident	91.3	Very high	35 Å²	35	51.6 Å²	51.6	36%	0.361	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-8.1	-173.8	0	0	0	0	0	114.8	L190 V191 Y229	L190-G231 WeakPolarHBondContact CD1-O 3.39Å; V191-G231 PolarHBondContact O-N 2.82Å; Y229-G231 PolarHBondContact O-N 2.9Å
232	D	92.6	Very high	90.5	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.043	29%	0.292	C	S	.	.			trans	-66.8	149.7	171.1	-86.3	-48.3	0	0	0	112.2	V191 V228 Y229 L256 Q257 H502	V191-D232 HydrophobicContact CG2-CB 4.34Å; V191-D232 PolarHBondContact N-O 2.76Å; V228-D232 HydrophobicContact CG1-CB 4.36Å; Y229-D232 PolarHBondContact N-OD2 2.82Å; Y229-D232 WeakPolarHBondContact O-CB 3.45Å; Y229-D232 PolarHBondContact O-N 3.19Å; Y229-D232 VanDerWaalsContact O-N 3.07Å; D232-L256 HydrophobicContact CB-CD1 3.8Å; D232-L256 VanDerWaalsContact CG-CD1 3.5Å; D232-Q257 PolarHBondContact OD1-NE2 3.18Å; D232-H502 IonicContact OD1-CE1 3.92Å
233	V	93.9	Very high	89.8	Confident	21 Å²	21	53.7 Å²	53.7	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.9	166.1	-178.8	0	0	0	0	108.4	V179 R188 Y189 L190 Q257 P258	V179-V233 HydrophobicContact CG1-CG2 3.69Å; V179-V233 HydrophobicContact CG2-CG2 4.07Å; R188-V233 HydrophobicContact CB-CG1 4.23Å; Y189-V233 CarbonylContact O-C 3.57Å; Y189-V233 WeakPolarHBondContact O-CA 3.24Å; L190-V233 HydrophobicContact CD1-CG2 4.27Å; V233-Q257 VanDerWaalsContact O-CA 3.27Å; V233-Q257 WeakPolarHBondContact O-CA 3.48Å; V233-Q257 PolarHBondContact O-N 2.97Å; V233-P258 WeakPolarHBondContact O-CD 3.21Å
234	V	96.4	Very high	89.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.5	176.4	-59.4	0	0	0	0	111.2	Y189 V191 V228 L254 V255 L256	Y189-V234 PolarHBondContact N-O 3.11Å; Y189-V234 PolarHBondContact O-N 2.89Å; V191-V234 HydrophobicContact CG2-CG1 3.83Å; V191-V234 HydrophobicContact CG2-CG2 4.08Å; V228-V234 HydrophobicContact CG1-CG1 3.96Å; V234-L254 HydrophobicContact CB-CG 4.43Å; V234-L254 HydrophobicContact CG1-CD1 4.42Å; V234-L254 HydrophobicContact CG1-CD2 4.23Å; V234-L254 HydrophobicContact CG1-CG 4.47Å; V234-V255 WeakPolarHBondContact CA-O 3.43Å; V234-L256 HydrophobicContact CG1-CD1 4.22Å
235	H	96.3	Very high	89.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.8	165.2	169.4	73.5	0	0	0	108.9	P185 N187 E237 V255 P258 R400	P185-H235 PolarHBondContact O-CE1 3.44Å; P185-H235 VanDerWaalsContact O-CE1 3.27Å; N187-H235 VanDerWaalsContact CG-ND1 3.29Å; N187-H235 PolarHBondContact ND2-CE1 2.66Å; N187-H235 VanDerWaalsContact ND2-CE1 3.33Å; N187-H235 PolarHBondContact ND2-ND1 3.49Å; N187-H235 PolarHBondContact O-ND1 3.3Å; N187-H235 WeakPolarHBondContact OD1-CA 3.44Å; N187-H235 PolarHBondContact OD1-ND1 3.46Å; H235-E237 IonicContact NE2-OE1 3.92Å; H235-V255 HydrophobicContact CB-CB 4.3Å; H235-V255 PolarHBondContact N-O 3.49Å; H235-V255 PolarHBondContact O-N 2.73Å; H235-P258 HydrophobicContact CB-CB 3.75Å; H235-P258 HydrophobicContact CB-CG 3.75Å; H235-R400 PolarHBondContact CD2-O 3.18Å
236	L	95.4	Very high	89.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	-178.6	-59.2	179	0	0	0	110.2	N187 Y189 I205 C217 W245 L254	N187-L236 PolarHBondContact ND2-O 3.19Å; N187-L236 PolarHBondContact OD1-N 3.07Å; Y189-L236 HydrophobicContact CD2-CD1 4.41Å; I205-L236 HydrophobicContact CD1-CD1 3.58Å; C217-L236 HydrophobicContact CB-CD1 4.11Å; L236-W245 HydrophobicContact CB-CD2 4.03Å; L236-W245 HydrophobicContact CB-CE3 3.69Å; L236-W245 HydrophobicContact CB-CH2 4.11Å; L236-W245 HydrophobicContact CB-CZ2 4.42Å; L236-W245 HydrophobicContact CB-CZ3 3.74Å; L236-W245 HydrophobicContact CD1-CB 4.02Å; L236-W245 HydrophobicContact CD1-CD2 3.59Å; L236-W245 HydrophobicContact CD1-CE3 4.11Å; L236-W245 HydrophobicContact CD1-CG 3.56Å; L236-W245 HydrophobicContact CG-CD2 4.46Å; L236-L254 HydrophobicContact CD2-CB 4Å; L236-L254 HydrophobicContact CD2-CD1 3.88Å; L236-L254 HydrophobicContact CD2-CG 3.88Å
237	E	93.2	Very high	89.6	Confident	41 Å²	41	51.1 Å²	51.1	19%	0.192	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138	169.7	-91.4	-66.5	180	0	0	110.4	H235 G252 F253 R400 F401	H235-E237 IonicContact NE2-OE1 3.92Å; E237-G252 WeakPolarHBondContact O-CA 3.21Å; E237-F253 HydrophobicContact CB-CB 4.25Å; E237-F253 HydrophobicContact CB-CD2 3.97Å; E237-F253 PolarHBondContact N-O 3.1Å; E237-F253 PolarHBondContact O-N 2.88Å; E237-R400 IonicContact OE1-CZ 2.68Å; E237-R400 IonicContact OE1-NE 2.71Å; E237-R400 PolarHBondContact OE1-NE 2.86Å; E237-R400 IonicContact OE1-NH2 3.42Å; E237-R400 PolarHBondContact OE1-NH2 3.42Å; E237-F401 HydrophobicContact CG-CE1 4.06Å
238	G	86.4	Confident	89.6	Confident	45 Å²	45	50.8 Å²	50.8	46%	0.464	29%	0.286	S	S	.	.	S	Bend	trans	134.6	-143.6	-172.2	0	0	0	0	0	112.6
239	R	78.9	Confident	89.4	Confident	220 Å²	220	55.9 Å²	55.9	83%	0.83	31%	0.305	S	S	*	.			trans	-136.1	137	173.1	-64.9	-176.4	178	-169.4	-1.9	109.2
240	S	81.7	Confident	89.4	Confident	42 Å²	42	56 Å²	56	29%	0.294	31%	0.31	S	S	.	.			trans	-78.4	129.2	165.2	-169.2	0	0	0	0	108.9	E215 G243 A244 W245	E215-S240 WeakPolarHBondContact OE2-CB 3.25Å; E215-S240 PolarHBondContact OE2-OG 3.23Å; S240-G243 VanDerWaalsContact OG-CA 3.28Å; S240-G243 WeakPolarHBondContact OG-CA 3.42Å; S240-G243 PolarHBondContact OG-N 2.79Å; S240-A244 PolarHBondContact OG-N 2.73Å; S240-W245 PolarHBondContact OG-NE1 3.39Å
241	E	82.9	Confident	89.3	Confident	157 Å²	157	57.2 Å²	57.2	73%	0.734	32%	0.315	S	S	*	.	B	Isolated β-bridge	trans	-105.6	100.1	171.3	-71.1	-176.3	-177.9	0	0	108	G243 A244	E241-G243 VanDerWaalsContact C-N 3.33Å; E241-G243 PolarHBondContact O-N 3.32Å; E241-A244 PolarHBondContact N-O 2.78Å; E241-A244 PolarHBondContact O-N 3.48Å; E241-A244 VanDerWaalsContact O-N 3.17Å
242	G	75.1	Confident	89.4	Confident	94 Å²	94	56.1 Å²	56.1	97%	0.969	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	23	178.1	0	0	0	0	0	115.7
243	G	77.4	Confident	89.6	Confident	23 Å²	23	56.9 Å²	56.9	24%	0.237	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	9.9	-173.5	0	0	0	0	0	114	E215 T216 S240 E241	E215-G243 WeakPolarHBondContact CA-O 3.4Å; E215-G243 WeakPolarHBondContact CB-O 3.36Å; T216-G243 PolarHBondContact N-O 3.17Å; S240-G243 VanDerWaalsContact OG-CA 3.28Å; S240-G243 WeakPolarHBondContact OG-CA 3.42Å; S240-G243 PolarHBondContact OG-N 2.79Å; E241-G243 VanDerWaalsContact C-N 3.33Å; E241-G243 PolarHBondContact O-N 3.32Å
244	A	87.4	Confident	89.7	Confident	44 Å²	44	55.9 Å²	55.9	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.1	171.5	0	0	0	0	0	110.7	T216 S240 E241	T216-A244 WeakPolarHBondContact O-CA 3.39Å; S240-A244 PolarHBondContact OG-N 2.73Å; E241-A244 PolarHBondContact N-O 2.78Å; E241-A244 PolarHBondContact O-N 3.48Å; E241-A244 VanDerWaalsContact O-N 3.17Å
245	W	93.7	Very high	89.8	Confident	25 Å²	25	55.9 Å²	55.9	10%	0.095	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.6	171.6	-65	78.2	0	0	0	110.2	Y189 E215 T216 C217 L218 L236 S240	Y189-W245 HydrophobicContact CE2-CZ2 4.16Å; E215-W245 PolarHBondContact OE2-NE1 3.17Å; T216-W245 PolarHBondContact O-N 2.89Å; C217-W245 WeakPolarHBondContact CA-O 3.31Å; C217-W245 HydrophobicContact CB-CB 4Å; L218-W245 PolarHBondContact N-O 3.21Å; L236-W245 HydrophobicContact CB-CD2 4.03Å; L236-W245 HydrophobicContact CB-CE3 3.69Å; L236-W245 HydrophobicContact CB-CH2 4.11Å; L236-W245 HydrophobicContact CB-CZ2 4.42Å; L236-W245 HydrophobicContact CB-CZ3 3.74Å; L236-W245 HydrophobicContact CD1-CB 4.02Å; L236-W245 HydrophobicContact CD1-CD2 3.59Å; L236-W245 HydrophobicContact CD1-CE3 4.11Å; L236-W245 HydrophobicContact CD1-CG 3.56Å; L236-W245 HydrophobicContact CG-CD2 4.46Å; S240-W245 PolarHBondContact OG-NE1 3.39Å
246	L	94	Very high	89.8	Confident	59 Å²	59	55.9 Å²	55.9	31%	0.309	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.5	172.5	178.4	59.5	0	0	0	109.7	L218 K220 D248 R251	L218-L246 HydrophobicContact CB-CD1 4.32Å; L218-L246 HydrophobicContact CD2-CD1 4.33Å; L218-L246 HydrophobicContact CG-CD1 4.25Å; K220-L246 HydrophobicContact CD-CD1 4.41Å; L246-D248 HydrophobicContact CD1-CB 4.38Å; L246-D248 HydrophobicContact CG-CB 4.42Å; L246-R251 VanDerWaalsContact CD2-NH2 3.26Å
247	V	94.8	Very high	89.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	102.6	177.7	-178.4	0	0	0	0	107.7	L218 L219 K220 W223 R251 L254	L218-V247 PolarHBondContact O-N 2.91Å; L219-V247 WeakPolarHBondContact CA-O 3.48Å; L219-V247 HydrophobicContact CD2-CB 3.77Å; L219-V247 HydrophobicContact CD2-CG1 4.3Å; L219-V247 HydrophobicContact CD2-CG2 4.15Å; K220-V247 PolarHBondContact N-O 3.48Å; W223-V247 HydrophobicContact CB-CG1 4.45Å; W223-V247 HydrophobicContact CD2-CG1 3.68Å; W223-V247 HydrophobicContact CE3-CG1 4.32Å; W223-V247 HydrophobicContact CG-CG1 3.78Å; W223-V247 HydrophobicContact CZ2-CG1 4.03Å; V247-R251 WeakPolarHBondContact CA-O 3.37Å; V247-L254 HydrophobicContact CG1-CB 4.45Å
248	D	92.9	Very high	89.7	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.07	30%	0.299	C	S	.	.			trans	-127.2	-162.3	-171.6	70.9	35.3	0	0	0	111.9	K220 W223 L246 E250 R251	K220-D248 HydrophobicContact CB-CB 4.36Å; W223-D248 VanDerWaalsContact CD1-O 3.27Å; W223-D248 PolarHBondContact NE1-O 2.86Å; L246-D248 HydrophobicContact CD1-CB 4.38Å; L246-D248 HydrophobicContact CG-CB 4.42Å; D248-E250 PolarHBondContact OD1-N 3.45Å; D248-R251 PolarHBondContact N-O 3.38Å; D248-R251 PolarHBondContact OD1-N 2.92Å; D248-R251 IonicContact OD1-NE 3.58Å; D248-R251 IonicContact OD2-CZ 2.71Å; D248-R251 VanDerWaalsContact OD2-CZ 3.28Å; D248-R251 IonicContact OD2-NE 3.84Å; D248-R251 PolarHBondContact OD2-NE 2.89Å; D248-R251 IonicContact OD2-NH2 2.71Å; D248-R251 PolarHBondContact OD2-NH2 3.36Å
249	R	91.7	Very high	89.8	Confident	109 Å²	109	55.2 Å²	55.2	41%	0.411	29%	0.287	S	S	.	.	S	Bend	trans	-62	-40.1	178.2	-174.7	-178.1	-63	-87.7	-8.8	113.8	D221 H483 M484	D221-R249 HydrophobicContact CB-CB 3.83Å; D221-R249 IonicContact OD1-CZ 2.98Å; D221-R249 VanDerWaalsContact OD1-CZ 3.24Å; D221-R249 IonicContact OD1-NE 3.63Å; D221-R249 PolarHBondContact OD1-NE 3.23Å; D221-R249 IonicContact OD1-NH2 3.88Å; D221-R249 PolarHBondContact OD1-NH2 3.48Å; R249-H483 PolarHBondContact O-CE1 2.94Å; R249-H483 VanDerWaalsContact O-CE1 3.31Å; R249-H483 PolarHBondContact O-ND1 3.24Å; R249-M484 HydrophobicContact CG-SD 3.9Å
250	E	90.1	Very high	90.3	Very high	125 Å²	125	45.4 Å²	45.4	58%	0.584	25%	0.252	S	S	*	.	S	Bend	trans	-110.9	-15	-167.2	-55.2	-57.4	153.5	0	0	112.7	D248 H483	D248-E250 PolarHBondContact OD1-N 3.45Å; E250-H483 PolarHBondContact O-CE1 3.48Å
251	R	90.4	Very high	90.8	Very high	140 Å²	140	44.3 Å²	44.3	53%	0.528	24%	0.243	S	C	.	.	S	Bend	trans	-134	133.3	-175.1	-65.7	174.1	-68.5	-170.5	-5.3	113	L246 V247 D248 H483	L246-R251 VanDerWaalsContact CD2-NH2 3.26Å; V247-R251 WeakPolarHBondContact CA-O 3.37Å; D248-R251 PolarHBondContact N-O 3.38Å; D248-R251 PolarHBondContact OD1-N 2.92Å; D248-R251 IonicContact OD1-NE 3.58Å; D248-R251 IonicContact OD2-CZ 2.71Å; D248-R251 VanDerWaalsContact OD2-CZ 3.28Å; D248-R251 IonicContact OD2-NE 3.84Å; D248-R251 PolarHBondContact OD2-NE 2.89Å; D248-R251 IonicContact OD2-NH2 2.71Å; D248-R251 PolarHBondContact OD2-NH2 3.36Å; R251-H483 PolarHBondContact N-CE1 2.68Å
252	G	92.8	Very high	91.2	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	21%	0.21	C	C	.	.			trans	78.5	162.9	164.3	0	0	0	0	0	115	E237	E237-G252 WeakPolarHBondContact O-CA 3.21Å
253	F	96	Very high	92	Very high	23 Å²	23	34 Å²	34	10%	0.101	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.6	173.6	-49.8	-70.8	0	0	0	110.2	W223 E237 F401 H483 H486 R487 L490	W223-F253 HydrophobicContact CH2-CB 4.15Å; W223-F253 HydrophobicContact CH2-CD1 4.09Å; W223-F253 HydrophobicContact CZ2-CB 4.39Å; W223-F253 AromaticContact CZ2-CD1 3.86Å; W223-F253 HydrophobicContact CZ2-CD1 3.86Å; E237-F253 HydrophobicContact CB-CB 4.25Å; E237-F253 HydrophobicContact CB-CD2 3.97Å; E237-F253 PolarHBondContact N-O 3.1Å; E237-F253 PolarHBondContact O-N 2.88Å; F253-F401 HydrophobicContact CD2-CE1 4.31Å; F253-H483 AromaticContact CE1-CD2 3.77Å; F253-H483 AromaticContact CE1-NE2 3.54Å; F253-H483 AromaticContact CZ-CD2 3.49Å; F253-H483 VanDerWaalsContact CZ-CD2 3.49Å; F253-H483 WeakPolarHBondContact CZ-CD2 3.4Å; F253-H483 AromaticContact CZ-NE2 3.62Å; F253-H486 HydrophobicContact CE1-CB 3.78Å; F253-H486 HydrophobicContact CZ-CB 3.73Å; F253-R487 HydrophobicContact CD1-CB 4.43Å; F253-R487 HydrophobicContact CE1-CB 4.11Å; F253-L490 HydrophobicContact CB-CD1 3.86Å; F253-L490 HydrophobicContact CD1-CD1 3.67Å; F253-L490 HydrophobicContact CD2-CD1 4.21Å; F253-L490 HydrophobicContact CE1-CD1 4.27Å; F253-L490 HydrophobicContact CG-CD1 3.65Å
254	L	96.9	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.7	163.9	-177.1	150.4	0	0	0	109.3	L203 L219 W223 T226 V228 V234 L236 V247 L256 N494	L203-L254 HydrophobicContact CD1-CD1 3.58Å; L219-L254 HydrophobicContact CD1-CD1 4.06Å; L219-L254 HydrophobicContact CD2-CB 4.42Å; L219-L254 HydrophobicContact CD2-CD1 3.79Å; W223-L254 HydrophobicContact CZ3-CB 4.5Å; T226-L254 HydrophobicContact CG2-CD2 4.16Å; V228-L254 HydrophobicContact CG2-CD1 4.4Å; V228-L254 HydrophobicContact CG2-CD2 3.83Å; V234-L254 HydrophobicContact CB-CG 4.43Å; V234-L254 HydrophobicContact CG1-CD1 4.42Å; V234-L254 HydrophobicContact CG1-CD2 4.23Å; V234-L254 HydrophobicContact CG1-CG 4.47Å; L236-L254 HydrophobicContact CD2-CB 4Å; L236-L254 HydrophobicContact CD2-CD1 3.88Å; L236-L254 HydrophobicContact CD2-CG 3.88Å; V247-L254 HydrophobicContact CG1-CB 4.45Å; L254-L256 HydrophobicContact CD2-CB 4.26Å; L254-N494 PolarHBondContact O-ND2 3.21Å
255	V	97.4	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.8	175.8	-175.8	0	0	0	0	108.7	V234 H235 P258	V234-V255 WeakPolarHBondContact CA-O 3.43Å; H235-V255 HydrophobicContact CB-CB 4.3Å; H235-V255 PolarHBondContact N-O 3.49Å; H235-V255 PolarHBondContact O-N 2.73Å; V255-P258 HydrophobicContact CG1-CB 3.94Å
256	L	96.5	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.6	-177.5	173.4	60.9	0	0	0	110.8	P227 V228 D232 V234 L254 R493 N494 H498	P227-L256 HydrophobicContact CG-CD2 4.36Å; P227-L256 VanDerWaalsContact O-CD2 3.25Å; P227-L256 WeakPolarHBondContact O-CD2 3.49Å; V228-L256 HydrophobicContact CG1-CD1 4.32Å; V228-L256 HydrophobicContact CG2-CD1 4.27Å; D232-L256 HydrophobicContact CB-CD1 3.8Å; D232-L256 VanDerWaalsContact CG-CD1 3.5Å; V234-L256 HydrophobicContact CG1-CD1 4.22Å; L254-L256 HydrophobicContact CD2-CB 4.26Å; L256-R493 PolarHBondContact O-NH1 3.39Å; L256-N494 HydrophobicContact CB-CB 3.96Å; L256-N494 PolarHBondContact N-OD1 3.32Å; L256-H498 HydrophobicContact CD2-CB 4.11Å
257	Q	92.9	Very high	92.7	Very high	34 Å²	34	30.7 Å²	30.7	16%	0.159	15%	0.149	C	C	.	.	S	Bend	trans	50.2	64.3	-178.1	-59.9	179.4	-3.6	0	0	111.2	D232 V233 D259 S260 R493 V497 N501 H502	D232-Q257 PolarHBondContact OD1-NE2 3.18Å; V233-Q257 VanDerWaalsContact O-CA 3.27Å; V233-Q257 WeakPolarHBondContact O-CA 3.48Å; V233-Q257 PolarHBondContact O-N 2.97Å; Q257-D259 VanDerWaalsContact C-N 3.29Å; Q257-D259 PolarHBondContact O-N 3.41Å; Q257-S260 PolarHBondContact O-N 2.82Å; Q257-R493 PolarHBondContact O-NH2 2.78Å; Q257-V497 HydrophobicContact CB-CG1 3.87Å; Q257-N501 VanDerWaalsContact OE1-CB 3.26Å; Q257-N501 PolarHBondContact OE1-ND2 3.08Å; Q257-H502 PolarHBondContact NE2-CE1 3.44Å; Q257-H502 VanDerWaalsContact NE2-CE1 3.3Å
258	P	93.1	Very high	92.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.1	-168.5	28.3	-38.9	0	0	0	114.2	R188 V233 H235 V255 S260 G402	R188-P258 VanDerWaalsContact CZ-CG 3.42Å; V233-P258 WeakPolarHBondContact O-CD 3.21Å; H235-P258 HydrophobicContact CB-CB 3.75Å; H235-P258 HydrophobicContact CB-CG 3.75Å; V255-P258 HydrophobicContact CG1-CB 3.94Å; P258-S260 VanDerWaalsContact C-N 3.31Å; P258-S260 PolarHBondContact O-N 3.16Å; P258-G402 WeakPolarHBondContact O-CA 3.38Å
259	D	90	Very high	92.3	Very high	40 Å²	40	32.9 Å²	32.9	21%	0.214	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.3	179.3	-60.9	-57.1	0	0	0	113.4	R188 Q257 L261 K594 W597	R188-D259 IonicContact CZ-OD1 3.24Å; R188-D259 IonicContact CZ-OD2 3.5Å; R188-D259 IonicContact NE-OD1 2.92Å; R188-D259 PolarHBondContact NE-OD1 2.91Å; R188-D259 VanDerWaalsContact NE-OD1 3.17Å; R188-D259 IonicContact NE-OD2 3.22Å; R188-D259 PolarHBondContact NE-OD2 3.26Å; R188-D259 IonicContact NH2-OD1 3.01Å; R188-D259 PolarHBondContact NH2-OD1 3.22Å; R188-D259 IonicContact NH2-OD2 3.02Å; Q257-D259 VanDerWaalsContact C-N 3.29Å; Q257-D259 PolarHBondContact O-N 3.41Å; D259-L261 PolarHBondContact O-N 3.26Å; D259-K594 HydrophobicContact CB-CB 4.42Å; D259-W597 HydrophobicContact CB-CZ2 4.24Å; D259-W597 PolarHBondContact OD1-NE1 2.89Å
260	S	89.5	Confident	92.4	Very high	14 Å²	14	27.9 Å²	27.9	10%	0.098	14%	0.143	C	C	.	.	S	Bend	trans	-79.3	83.4	171.5	-58.3	0	0	0	0	109.7	Q257 P258 I262 R493 N501 E588	Q257-S260 PolarHBondContact O-N 2.82Å; P258-S260 VanDerWaalsContact C-N 3.31Å; P258-S260 PolarHBondContact O-N 3.16Å; S260-I262 PolarHBondContact O-N 3.04Å; S260-R493 PolarHBondContact O-NH2 3.37Å; S260-N501 PolarHBondContact OG-ND2 2.9Å; S260-E588 WeakPolarHBondContact CB-OE1 3.45Å; S260-E588 PolarHBondContact OG-OE1 2.88Å
261	L	90.8	Very high	92.4	Very high	19 Å²	19	24.7 Å²	24.7	10%	0.099	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-68.1	116.2	-176.7	-53.7	-175.2	0	0	0	111.7	D259 W397 S398 G402 K404 W597	D259-L261 PolarHBondContact O-N 3.26Å; L261-W397 HydrophobicContact CD1-CB 3.86Å; L261-W397 HydrophobicContact CD1-CD2 4.16Å; L261-W397 HydrophobicContact CD1-CE3 4.32Å; L261-W397 HydrophobicContact CD1-CG 3.95Å; L261-S398 WeakPolarHBondContact CD2-O 3.48Å; L261-G402 WeakPolarHBondContact CA-O 3.36Å; L261-K404 HydrophobicContact CB-CB 4.11Å; L261-K404 HydrophobicContact CB-CD 4.3Å; L261-K404 HydrophobicContact CB-CG 4.15Å; L261-K404 PolarHBondContact O-NZ 2.8Å; L261-W597 HydrophobicContact CD1-CH2 4.13Å; L261-W597 HydrophobicContact CG-CH2 4.49Å
262	I	91.8	Very high	92.4	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.051	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150	178.6	-59.6	-55.2	0	0	0	111.9	S260 I267 G402 L403 K404 L496 V497 I500	S260-I262 PolarHBondContact O-N 3.04Å; I262-I267 HydrophobicContact CB-CD1 4.41Å; I262-I267 HydrophobicContact CG2-CD1 4.13Å; I262-I267 HydrophobicContact CG2-CG1 3.87Å; I262-G402 PolarHBondContact N-O 3.05Å; I262-L403 CarbonylContact O-C 3.45Å; I262-L403 WeakPolarHBondContact O-CA 3.25Å; I262-K404 PolarHBondContact O-N 2.64Å; I262-L496 HydrophobicContact CG2-CD2 3.85Å; I262-V497 HydrophobicContact CD1-CG2 3.92Å; I262-V497 HydrophobicContact CG1-CG2 3.28Å; I262-I500 HydrophobicContact CD1-CD1 4.03Å
263	S	92.1	Very high	92.4	Very high	24 Å²	24	24.7 Å²	24.7	17%	0.168	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.5	178.5	98	0	0	0	0	112.3	T265 S266 I267 K404	S263-T265 PolarHBondContact O-N 3.41Å; S263-T265 PolarHBondContact OG-N 2.86Å; S263-S266 WeakPolarHBondContact O-CB 3.39Å; S263-S266 PolarHBondContact O-N 3.42Å; S263-S266 PolarHBondContact OG-N 3.41Å; S263-S266 PolarHBondContact OG-OG 2.78Å; S263-I267 PolarHBondContact O-N 2.99Å; S263-K404 WeakPolarHBondContact CA-O 3.44Å
264	G	91.2	Very high	92.2	Very high	3 Å²	3	25 Å²	25	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-55.6	-37.5	174.2	0	0	0	0	0	112.9	S266 I267 S268 K404 L452	G264-S266 PolarHBondContact O-N 3.3Å; G264-I267 PolarHBondContact O-N 3.25Å; G264-S268 PolarHBondContact O-N 2.9Å; G264-S268 PolarHBondContact O-OG 3.38Å; G264-K404 PolarHBondContact N-O 2.68Å; G264-L452 WeakPolarHBondContact O-CD1 3.45Å
265	T	89.4	Confident	92.1	Very high	61 Å²	61	25.2 Å²	25.2	37%	0.374	13%	0.13	S	C	.	.	H	α-helix	trans	-60.3	-44.6	174.6	-37.8	0	0	0	0	111.9	S263 I267 S268 N269	S263-T265 PolarHBondContact O-N 3.41Å; S263-T265 PolarHBondContact OG-N 2.86Å; T265-I267 VanDerWaalsContact C-N 3.33Å; T265-I267 PolarHBondContact O-N 3.48Å; T265-S268 WeakPolarHBondContact CA-OG 3.36Å; T265-S268 PolarHBondContact O-N 3.33Å; T265-S268 PolarHBondContact O-OG 3.32Å; T265-N269 WeakPolarHBondContact O-CB 3.32Å; T265-N269 PolarHBondContact O-N 2.97Å; T265-N269 PolarHBondContact O-ND2 3.44Å
266	S	91.8	Very high	91.8	Very high	17 Å²	17	27.7 Å²	27.7	12%	0.119	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-37.2	-179	-50.6	0	0	0	0	112.3	S263 G264 N269 S270 S277 E281	S263-S266 WeakPolarHBondContact O-CB 3.39Å; S263-S266 PolarHBondContact O-N 3.42Å; S263-S266 PolarHBondContact OG-N 3.41Å; S263-S266 PolarHBondContact OG-OG 2.78Å; G264-S266 PolarHBondContact O-N 3.3Å; S266-N269 PolarHBondContact O-N 3.48Å; S266-S270 PolarHBondContact O-N 2.96Å; S266-S277 WeakPolarHBondContact O-CB 3.37Å; S266-S277 PolarHBondContact O-OG 2.98Å; S266-E281 WeakPolarHBondContact CB-OE1 3.36Å; S266-E281 PolarHBondContact OG-OE1 3.21Å
267	I	94.4	Very high	91.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.8	-46.3	175.7	-59.6	153.6	0	0	0	110.2	I262 S263 G264 T265 N269 S270 L403 L452 L489 L492 R493 L496	I262-I267 HydrophobicContact CB-CD1 4.41Å; I262-I267 HydrophobicContact CG2-CD1 4.13Å; I262-I267 HydrophobicContact CG2-CG1 3.87Å; S263-I267 PolarHBondContact O-N 2.99Å; G264-I267 PolarHBondContact O-N 3.25Å; T265-I267 VanDerWaalsContact C-N 3.33Å; T265-I267 PolarHBondContact O-N 3.48Å; I267-N269 PolarHBondContact O-N 3.28Å; I267-S270 PolarHBondContact O-N 3.43Å; I267-S270 PolarHBondContact O-OG 3.19Å; I267-L403 HydrophobicContact CD1-CD2 3.33Å; I267-L452 HydrophobicContact CB-CD1 3.91Å; I267-L452 HydrophobicContact CD1-CD1 4.31Å; I267-L452 HydrophobicContact CD1-CD2 4.23Å; I267-L452 HydrophobicContact CG2-CD1 3.92Å; I267-L489 HydrophobicContact CG2-CD2 4.33Å; I267-L492 HydrophobicContact CG2-CB 4.36Å; I267-R493 HydrophobicContact CD1-CB 3.84Å; I267-R493 HydrophobicContact CD1-CG 3.7Å; I267-R493 HydrophobicContact CG1-CB 4.01Å; I267-R493 HydrophobicContact CG1-CG 4.17Å; I267-R493 HydrophobicContact CG2-CB 4.45Å; I267-L496 HydrophobicContact CG1-CD2 4.17Å
268	S	92	Very high	91.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-30.2	175.2	72.2	0	0	0	0	112.9	G264 T265 I271 Q449	G264-S268 PolarHBondContact O-N 2.9Å; G264-S268 PolarHBondContact O-OG 3.38Å; T265-S268 WeakPolarHBondContact CA-OG 3.36Å; T265-S268 PolarHBondContact O-N 3.33Å; T265-S268 PolarHBondContact O-OG 3.32Å; S268-I271 WeakPolarHBondContact O-CG1 3.45Å; S268-Q449 WeakPolarHBondContact OG-CG 3.38Å; S268-Q449 PolarHBondContact OG-NE2 3.47Å
269	N	87.8	Confident	91.5	Very high	60 Å²	60	26.4 Å²	26.4	32%	0.321	13%	0.134	S	C	.	.	H	α-helix	trans	-76	-23.3	174.8	-84.8	-37.8	0	0	0	113.6	T265 S266 I267 I271 R276 S277	T265-N269 WeakPolarHBondContact O-CB 3.32Å; T265-N269 PolarHBondContact O-N 2.97Å; T265-N269 PolarHBondContact O-ND2 3.44Å; S266-N269 PolarHBondContact O-N 3.48Å; I267-N269 PolarHBondContact O-N 3.28Å; N269-I271 VanDerWaalsContact C-N 3.32Å; N269-R276 PolarHBondContact O-NH2 3.4Å; N269-R276 PolarHBondContact OD1-NH2 2.98Å; N269-S277 VanDerWaalsContact C-OG 3.22Å; N269-S277 WeakPolarHBondContact CB-OG 3.42Å
270	S	92.7	Very high	91.5	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-76.2	-23.4	-178.9	72.2	0	0	0	0	112.3	S266 I267 R272 C273 M274 S277	S266-S270 PolarHBondContact O-N 2.96Å; I267-S270 PolarHBondContact O-N 3.43Å; I267-S270 PolarHBondContact O-OG 3.19Å; S270-R272 PolarHBondContact O-N 2.97Å; S270-R272 VanDerWaalsContact O-N 3.14Å; S270-C273 CarbonylContact O-C 3.56Å; S270-C273 PolarHBondContact O-N 3.31Å; S270-M274 PolarHBondContact O-N 2.87Å; S270-S277 WeakPolarHBondContact CA-OG 3.49Å; S270-S277 PolarHBondContact N-OG 3.11Å
271	I	91.9	Very high	91.4	Very high	57 Å²	57	26.4 Å²	26.4	29%	0.292	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-40.7	175.9	-58.9	174.2	0	0	0	112.3	S268 N269 I444 S448 L489 L492	S268-I271 WeakPolarHBondContact O-CG1 3.45Å; N269-I271 VanDerWaalsContact C-N 3.32Å; I271-I444 HydrophobicContact CD1-CG2 4.19Å; I271-I444 HydrophobicContact CG2-CG2 4.37Å; I271-S448 WeakPolarHBondContact CD1-OG 3.3Å; I271-L489 HydrophobicContact CD1-CD2 4.09Å; I271-L492 HydrophobicContact CG1-CD1 3.85Å
272	R	89.5	Confident	91.2	Very high	138 Å²	138	26.3 Å²	26.3	52%	0.521	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-27	176.1	-67.1	-162.5	-166.6	-174.5	7.1	114.5	S270 E445 L520 T525	S270-R272 PolarHBondContact O-N 2.97Å; S270-R272 VanDerWaalsContact O-N 3.14Å; R272-E445 IonicContact CZ-OE1 3.91Å; R272-E445 IonicContact NE-OE1 3.64Å; R272-E445 PolarHBondContact NE-OE1 3.32Å; R272-E445 IonicContact NH2-OE1 3.16Å; R272-E445 PolarHBondContact NH2-OE1 2.77Å; R272-E445 IonicContact NH2-OE2 3.45Å; R272-E445 PolarHBondContact NH2-OE2 3.15Å; R272-L520 WeakPolarHBondContact O-CD1 3.45Å; R272-T525 HydrophobicContact CB-CG2 4.4Å
273	C	91.8	Very high	91	Very high	15 Å²	15	25.9 Å²	25.9	10%	0.101	14%	0.136	C	C	.	.			trans	-168.9	106.3	-174.9	-177	0	0	0	0	110.2	S270 R276 S277 L520 T525	S270-C273 CarbonylContact O-C 3.56Å; S270-C273 PolarHBondContact O-N 3.31Å; C273-R276 HydrophobicContact CB-CB 3.81Å; C273-R276 PolarHBondContact O-N 3.15Å; C273-R276 PolarHBondContact SG-N 3.05Å; C273-R276 VanDerWaalsContact SG-N 3.41Å; C273-S277 PolarHBondContact O-N 3.03Å; C273-L520 HydrophobicContact CB-CD1 3.6Å; C273-T525 HydrophobicContact CB-CG2 4.31Å
274	M	93.5	Very high	90.3	Very high	30 Å²	30	28.7 Å²	28.7	15%	0.148	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-46.7	177.6	-171.4	62.6	68.1	0	0	111.5	S270 R276 S277 V278 L492 L496 P517	S270-M274 PolarHBondContact O-N 2.87Å; M274-R276 VanDerWaalsContact C-N 3.27Å; M274-R276 PolarHBondContact O-N 3Å; M274-S277 PolarHBondContact O-N 3.05Å; M274-V278 HydrophobicContact CG-CG2 4.38Å; M274-V278 PolarHBondContact O-N 3.42Å; M274-L492 HydrophobicContact CE-CD2 3.66Å; M274-L496 HydrophobicContact SD-CB 3.72Å; M274-L496 HydrophobicContact SD-CD1 4.05Å; M274-L496 HydrophobicContact SD-CG 4.42Å; M274-P517 HydrophobicContact CB-CB 4.24Å; M274-P517 HydrophobicContact CB-CG 4.09Å; M274-P517 HydrophobicContact CG-CB 4.46Å; M274-P517 HydrophobicContact CG-CG 3.78Å
275	R	93.2	Very high	88.8	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-51.8	-43.4	178.4	-164.9	-173.1	177.7	100.5	-5.1	112.5	S277 V278 L279 L516 P517 C535 E539	R275-S277 PolarHBondContact O-N 3.47Å; R275-V278 PolarHBondContact O-N 2.9Å; R275-L279 HydrophobicContact CG-CD1 4.03Å; R275-L279 WeakPolarHBondContact O-CB 3.47Å; R275-L279 VanDerWaalsContact O-CG 3.29Å; R275-L279 WeakPolarHBondContact O-CG 3.3Å; R275-L279 PolarHBondContact O-N 3.35Å; R275-L516 HydrophobicContact CG-CB 4.35Å; R275-P517 HydrophobicContact CB-CB 4.24Å; R275-P517 WeakPolarHBondContact CD-O 3.32Å; R275-P517 WeakPolarHBondContact CG-O 3.5Å; R275-P517 PolarHBondContact NH1-O 2.93Å; R275-C535 PolarHBondContact NE-SG 2.85Å; R275-C535 PolarHBondContact NH2-O 3.5Å; R275-E539 IonicContact CZ-OE1 3.01Å; R275-E539 IonicContact CZ-OE2 3.88Å; R275-E539 IonicContact NH1-OE1 3.28Å; R275-E539 PolarHBondContact NH1-OE1 3.45Å; R275-E539 IonicContact NH1-OE2 2.67Å; R275-E539 PolarHBondContact NH1-OE2 2.66Å; R275-E539 IonicContact NH2-OE1 3.47Å; R275-E539 IonicContact NH2-OE2 3.54Å; R275-E539 PolarHBondContact NH2-OE2 3.45Å
276	R	92	Very high	87	Confident	51 Å²	51	32.4 Å²	32.4	19%	0.192	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-41.3	176.6	179.8	-179.5	69.9	147.9	6.5	112.5	N269 C273 M274 G280	N269-R276 PolarHBondContact O-NH2 3.4Å; N269-R276 PolarHBondContact OD1-NH2 2.98Å; C273-R276 HydrophobicContact CB-CB 3.81Å; C273-R276 PolarHBondContact O-N 3.15Å; C273-R276 PolarHBondContact SG-N 3.05Å; C273-R276 VanDerWaalsContact SG-N 3.41Å; M274-R276 VanDerWaalsContact C-N 3.27Å; M274-R276 PolarHBondContact O-N 3Å; R276-G280 PolarHBondContact O-N 3.37Å
277	S	92.2	Very high	85	Confident	6 Å²	6	35.7 Å²	35.7	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-73.9	-37.2	178.6	-76.6	0	0	0	0	113	S266 N269 S270 C273 M274 R275 G280 E281	S266-S277 WeakPolarHBondContact O-CB 3.37Å; S266-S277 PolarHBondContact O-OG 2.98Å; N269-S277 VanDerWaalsContact C-OG 3.22Å; N269-S277 WeakPolarHBondContact CB-OG 3.42Å; S270-S277 WeakPolarHBondContact CA-OG 3.49Å; S270-S277 PolarHBondContact N-OG 3.11Å; C273-S277 PolarHBondContact O-N 3.03Å; M274-S277 PolarHBondContact O-N 3.05Å; R275-S277 PolarHBondContact O-N 3.47Å; S277-G280 PolarHBondContact O-N 3.24Å; S277-E281 PolarHBondContact O-N 2.84Å
278	V	92.3	Very high	83.1	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-50.9	173.6	-177.5	0	0	0	0	109.9	M274 R275 G280 E281 M282 L496 H499 I500 L516	M274-V278 HydrophobicContact CG-CG2 4.38Å; M274-V278 PolarHBondContact O-N 3.42Å; R275-V278 PolarHBondContact O-N 2.9Å; V278-G280 VanDerWaalsContact C-N 3.29Å; V278-G280 PolarHBondContact O-N 2.91Å; V278-E281 PolarHBondContact O-N 2.99Å; V278-E281 VanDerWaalsContact O-N 3.11Å; V278-M282 HydrophobicContact CG1-SD 4.07Å; V278-M282 WeakPolarHBondContact O-CG 3.32Å; V278-M282 PolarHBondContact O-N 3.31Å; V278-L496 HydrophobicContact CB-CD1 4.42Å; V278-L496 HydrophobicContact CG2-CD1 3.67Å; V278-H499 HydrophobicContact CG1-CB 4.19Å; V278-H499 HydrophobicContact CG2-CB 3.68Å; V278-I500 HydrophobicContact CG1-CG1 4.01Å; V278-L516 HydrophobicContact CB-CD2 4.16Å; V278-L516 HydrophobicContact CG1-CD2 3.46Å; V278-L516 VanDerWaalsContact CG1-CD2 3.46Å
279	L	91.7	Very high	82	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-38.4	176.3	-69.8	168.9	0	0	0	112.1	R275 E281 M282 F283 L516 Q531 N534 C535 Y538	R275-L279 HydrophobicContact CG-CD1 4.03Å; R275-L279 WeakPolarHBondContact O-CB 3.47Å; R275-L279 VanDerWaalsContact O-CG 3.29Å; R275-L279 WeakPolarHBondContact O-CG 3.3Å; R275-L279 PolarHBondContact O-N 3.35Å; L279-E281 PolarHBondContact O-N 3.07Å; L279-M282 PolarHBondContact O-N 3.04Å; L279-F283 HydrophobicContact CD2-CD2 3.99Å; L279-F283 HydrophobicContact CD2-CE2 3.87Å; L279-F283 WeakPolarHBondContact O-CA 3.43Å; L279-F283 WeakPolarHBondContact O-CB 3.42Å; L279-F283 PolarHBondContact O-N 3.33Å; L279-L516 HydrophobicContact CD2-CD1 3.62Å; L279-L516 HydrophobicContact CG-CD1 3.99Å; L279-Q531 HydrophobicContact CB-CB 4.14Å; L279-Q531 HydrophobicContact CB-CG 4.15Å; L279-Q531 HydrophobicContact CD1-CB 4.38Å; L279-N534 HydrophobicContact CD2-CB 4.33Å; L279-C535 HydrophobicContact CD1-CB 3.74Å; L279-Y538 HydrophobicContact CD2-CD2 4.43Å
280	G	90.3	Very high	81.9	Confident	27 Å²	27	37.6 Å²	37.6	28%	0.278	21%	0.206	S	C	.	.	H	α-helix	trans	-68.5	-26.9	175.8	0	0	0	0	0	114.8	R276 S277 V278 K284	R276-G280 PolarHBondContact O-N 3.37Å; S277-G280 PolarHBondContact O-N 3.24Å; V278-G280 VanDerWaalsContact C-N 3.29Å; V278-G280 PolarHBondContact O-N 2.91Å; G280-K284 VanDerWaalsContact O-CG 3.28Å; G280-K284 WeakPolarHBondContact O-CG 3.38Å
281	E	87.7	Confident	81.8	Confident	27 Å²	27	39.7 Å²	39.7	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-80.5	-32.3	171.9	-75.6	-74	162.4	0	0	112.1	S266 S277 V278 L279 K284 I500	S266-E281 WeakPolarHBondContact CB-OE1 3.36Å; S266-E281 PolarHBondContact OG-OE1 3.21Å; S277-E281 PolarHBondContact O-N 2.84Å; V278-E281 PolarHBondContact O-N 2.99Å; V278-E281 VanDerWaalsContact O-N 3.11Å; L279-E281 PolarHBondContact O-N 3.07Å; E281-K284 WeakPolarHBondContact O-CE 3.3Å; E281-K284 WeakPolarHBondContact OE2-CE 3.2Å; E281-K284 IonicContact OE2-NZ 3.19Å; E281-K284 PolarHBondContact OE2-NZ 2.71Å; E281-I500 HydrophobicContact CB-CD1 3.75Å; E281-I500 HydrophobicContact CB-CG1 4.33Å; E281-I500 HydrophobicContact CG-CD1 3.91Å
282	M	87	Confident	81.6	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-74.3	-62.3	173.8	-63.2	175.1	80.1	0	0	111.6	V278 L279 K284 Y538 L577 L710	V278-M282 HydrophobicContact CG1-SD 4.07Å; V278-M282 WeakPolarHBondContact O-CG 3.32Å; V278-M282 PolarHBondContact O-N 3.31Å; L279-M282 PolarHBondContact O-N 3.04Å; M282-K284 PolarHBondContact O-N 2.98Å; M282-Y538 HydrophobicContact CE-CE2 4.35Å; M282-L577 HydrophobicContact CE-CD1 4.19Å; M282-L710 HydrophobicContact CB-CD1 4.22Å
283	F	86.9	Confident	81.5	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	23%	0.229	C	C	.	.			trans	-90.8	70.7	-178.1	-59.7	-92	0	0	0	110.2	L279 S285 Q531 N534 F573 L577 L710	L279-F283 HydrophobicContact CD2-CD2 3.99Å; L279-F283 HydrophobicContact CD2-CE2 3.87Å; L279-F283 WeakPolarHBondContact O-CA 3.43Å; L279-F283 WeakPolarHBondContact O-CB 3.42Å; L279-F283 PolarHBondContact O-N 3.33Å; F283-S285 PolarHBondContact O-N 3.22Å; F283-Q531 PolarHBondContact O-NE2 3.49Å; F283-N534 HydrophobicContact CD2-CB 4.12Å; F283-N534 HydrophobicContact CE2-CB 4.35Å; F283-N534 HydrophobicContact CG-CB 4.28Å; F283-F573 HydrophobicContact CE1-CE2 4.34Å; F283-F573 HydrophobicContact CE1-CZ 4.05Å; F283-F573 AromaticContact CZ-CZ 3.94Å; F283-F573 HydrophobicContact CZ-CZ 3.94Å; F283-L577 HydrophobicContact CZ-CD1 3.99Å; F283-L710 HydrophobicContact CD1-CB 3.77Å; F283-L710 HydrophobicContact CE1-CB 3.86Å; F283-L710 HydrophobicContact CE1-CD2 4.45Å
284	K	76.8	Confident	81.5	Confident	82 Å²	82	41.1 Å²	41.1	36%	0.357	23%	0.225	S	C	.	.			trans	-72.9	68.3	169.8	-60.9	-177	-178	-175.6	0	110.9	G280 E281 M282 S711	G280-K284 VanDerWaalsContact O-CG 3.28Å; G280-K284 WeakPolarHBondContact O-CG 3.38Å; E281-K284 WeakPolarHBondContact O-CE 3.3Å; E281-K284 WeakPolarHBondContact OE2-CE 3.2Å; E281-K284 IonicContact OE2-NZ 3.19Å; E281-K284 PolarHBondContact OE2-NZ 2.71Å; M282-K284 PolarHBondContact O-N 2.98Å; K284-S711 PolarHBondContact O-OG 3.09Å
285	S	60.7	Low	81.4	Confident	43 Å²	43	39.9 Å²	39.9	30%	0.301	22%	0.219	S	C	.	.			trans	-57.1	150.3	171.3	47.6	0	0	0	0	110.5	F283 D287	F283-S285 PolarHBondContact O-N 3.22Å; S285-D287 WeakPolarHBondContact CB-OD1 3.42Å; S285-D287 PolarHBondContact O-N 3Å; S285-D287 PolarHBondContact OG-OD1 3.44Å
286	F	49.9	Very low	81.4	Confident	99 Å²	99	39.9 Å²	39.9	43%	0.434	22%	0.221	S	C	.	.			trans	-90.2	73.5	163.4	-175.4	-102.5	0	0	0	107.3	G288 K881	F286-G288 PolarHBondContact O-N 3.29Å; F286-G288 VanDerWaalsContact O-N 3.1Å; F286-K881 HydrophobicContact CB-CD 4.29Å
287	D	51.5	Low	81.3	Confident	86 Å²	86	40 Å²	40	46%	0.46	23%	0.228	S	C	.	.			trans	-59	112	161.9	-62.3	9.7	0	0	0	104.8	S285 G289	S285-D287 WeakPolarHBondContact CB-OD1 3.42Å; S285-D287 PolarHBondContact O-N 3Å; S285-D287 PolarHBondContact OG-OD1 3.44Å; D287-G289 PolarHBondContact O-N 3.48Å
288	G	54.6	Low	81.4	Confident	29 Å²	29	39.8 Å²	39.8	30%	0.299	23%	0.226	S	C	.	.			trans	-73.7	46.6	-158.6	0	0	0	0	0	115.7	F286 L337	F286-G288 PolarHBondContact O-N 3.29Å; F286-G288 VanDerWaalsContact O-N 3.1Å; G288-L337 VanDerWaalsContact O-CD2 3.28Å; G288-L337 WeakPolarHBondContact O-CD2 3.42Å
289	G	68.2	Low	81.5	Confident	37 Å²	37	39.8 Å²	39.8	38%	0.381	23%	0.226	S	C	.	.			trans	74.1	177.1	-166.1	0	0	0	0	0	112.9	D287	D287-G289 PolarHBondContact O-N 3.48Å
290	S	85.5	Confident	81.6	Confident	35 Å²	35	41.1 Å²	41.1	25%	0.245	23%	0.232	C	C	.	.			trans	-126.8	164	145.8	83.8	0	0	0	0	106.5	Q292 M293 L294	S290-Q292 PolarHBondContact O-N 2.85Å; S290-Q292 VanDerWaalsContact O-N 3.15Å; S290-Q292 PolarHBondContact OG-N 3.47Å; S290-Q292 PolarHBondContact OG-OE1 2.83Å; S290-M293 PolarHBondContact O-N 3.07Å; S290-M293 PolarHBondContact OG-N 3.41Å; S290-L294 PolarHBondContact O-N 2.68Å
291	K	89.8	Confident	81.7	Confident	47 Å²	47	40.6 Å²	40.6	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-51.8	-40.1	175.1	-173.9	173.8	58.5	154.5	0	111.6	L294 N295 V339 E343 M344 E347	K291-L294 PolarHBondContact O-N 2.99Å; K291-N295 VanDerWaalsContact O-CB 3.29Å; K291-N295 WeakPolarHBondContact O-CB 3.29Å; K291-N295 PolarHBondContact O-N 3.47Å; K291-V339 HydrophobicContact CB-CG1 4.21Å; K291-V339 HydrophobicContact CD-CG1 3.84Å; K291-V339 HydrophobicContact CG-CG1 4.05Å; K291-E343 HydrophobicContact CD-CG 4.28Å; K291-E343 WeakPolarHBondContact CD-OE1 3.07Å; K291-E343 WeakPolarHBondContact CE-OE1 3.34Å; K291-E343 IonicContact NZ-OE1 3.24Å; K291-E343 PolarHBondContact NZ-OE1 3.07Å; K291-M344 HydrophobicContact CD-SD 4.19Å; K291-M344 HydrophobicContact CG-SD 3.71Å; K291-E347 WeakPolarHBondContact CE-OE1 3.39Å; K291-E347 IonicContact NZ-OE1 2.7Å; K291-E347 PolarHBondContact NZ-OE1 2.99Å
292	Q	89.3	Confident	82	Confident	122 Å²	122	39.3 Å²	39.3	57%	0.57	22%	0.216	S	C	*	.	H	α-helix	trans	-69.9	-34.3	179.4	-55.2	78.7	13.3	0	0	113.2	S290 G296	S290-Q292 PolarHBondContact O-N 2.85Å; S290-Q292 VanDerWaalsContact O-N 3.15Å; S290-Q292 PolarHBondContact OG-N 3.47Å; S290-Q292 PolarHBondContact OG-OE1 2.83Å; Q292-G296 PolarHBondContact O-N 2.95Å
293	M	87.6	Confident	82.5	Confident	111 Å²	111	38.5 Å²	38.5	55%	0.547	21%	0.212	S	C	.	.	H	α-helix	trans	-74.2	-36.7	174.5	-65.9	-165.3	-68.6	0	0	112	S290 T297	S290-M293 PolarHBondContact O-N 3.07Å; S290-M293 PolarHBondContact OG-N 3.41Å; M293-T297 PolarHBondContact O-N 2.96Å; M293-T297 PolarHBondContact O-OG1 3.34Å
294	L	91.1	Very high	82.7	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-54.9	172.6	173.7	57.1	0	0	0	110.9	S290 K291 G296 T297 M298 Y330 D333 M334 L337 V339 M344	S290-L294 PolarHBondContact O-N 2.68Å; K291-L294 PolarHBondContact O-N 2.99Å; L294-G296 VanDerWaalsContact C-N 3.29Å; L294-G296 PolarHBondContact O-N 2.86Å; L294-T297 WeakPolarHBondContact O-CB 3.47Å; L294-T297 PolarHBondContact O-N 3.28Å; L294-T297 VanDerWaalsContact O-N 3.11Å; L294-M298 HydrophobicContact CD1-CG 4.35Å; L294-M298 HydrophobicContact CD1-SD 4.21Å; L294-M298 HydrophobicContact CG-SD 4.29Å; L294-M298 WeakPolarHBondContact O-CG 3.39Å; L294-M298 PolarHBondContact O-N 2.95Å; L294-Y330 HydrophobicContact CD1-CD1 3.56Å; L294-Y330 HydrophobicContact CD1-CE1 4.47Å; L294-Y330 HydrophobicContact CD1-CG 4.12Å; L294-D333 HydrophobicContact CD1-CB 3.66Å; L294-D333 HydrophobicContact CD2-CB 4.05Å; L294-D333 HydrophobicContact CG-CB 4.41Å; L294-M334 HydrophobicContact CD2-CG 3.76Å; L294-L337 HydrophobicContact CB-CD1 3.96Å; L294-L337 HydrophobicContact CD2-CD1 3.85Å; L294-V339 HydrophobicContact CD2-CG2 4.43Å; L294-M344 HydrophobicContact CB-CE 4.41Å; L294-M344 HydrophobicContact CD2-CE 3.99Å; L294-M344 HydrophobicContact CD2-SD 4.21Å; L294-M344 HydrophobicContact CG-CE 3.79Å
295	N	92.4	Very high	83.4	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-49.9	175.7	-176.9	4.5	0	0	0	109.9	K291 T297 M298 V299 M344 E347	K291-N295 VanDerWaalsContact O-CB 3.29Å; K291-N295 WeakPolarHBondContact O-CB 3.29Å; K291-N295 PolarHBondContact O-N 3.47Å; N295-T297 VanDerWaalsContact C-N 3.3Å; N295-T297 PolarHBondContact O-N 2.88Å; N295-M298 WeakPolarHBondContact O-CA 3.46Å; N295-M298 WeakPolarHBondContact O-CB 3.46Å; N295-M298 PolarHBondContact O-N 3.26Å; N295-V299 WeakPolarHBondContact O-CG2 3.47Å; N295-V299 PolarHBondContact O-N 2.85Å; N295-V299 WeakPolarHBondContact OD1-CG2 3.44Å; N295-M344 HydrophobicContact CB-CE 3.75Å; N295-E347 WeakPolarHBondContact ND2-CB 3.42Å; N295-E347 PolarHBondContact ND2-OE2 3.07Å
296	G	91.8	Very high	85	Confident	4 Å²	4	36.7 Å²	36.7	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-54.2	-43.6	177.8	0	0	0	0	0	113.9	Q292 L294 M298 V299 H300 T437	Q292-G296 PolarHBondContact O-N 2.95Å; L294-G296 VanDerWaalsContact C-N 3.29Å; L294-G296 PolarHBondContact O-N 2.86Å; G296-M298 VanDerWaalsContact C-N 3.35Å; G296-M298 PolarHBondContact O-N 2.93Å; G296-V299 PolarHBondContact O-N 3.36Å; G296-H300 PolarHBondContact O-CD2 2.75Å; G296-H300 PolarHBondContact O-N 3.32Å; G296-T437 WeakPolarHBondContact CA-OG1 3.43Å
297	T	91.3	Very high	86.9	Confident	55 Å²	55	32.3 Å²	32.3	34%	0.337	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-40.9	175.9	-51.2	0	0	0	0	111.8	M293 L294 N295 H300 E301 Y330	M293-T297 PolarHBondContact O-N 2.96Å; M293-T297 PolarHBondContact O-OG1 3.34Å; L294-T297 WeakPolarHBondContact O-CB 3.47Å; L294-T297 PolarHBondContact O-N 3.28Å; L294-T297 VanDerWaalsContact O-N 3.11Å; N295-T297 VanDerWaalsContact C-N 3.3Å; N295-T297 PolarHBondContact O-N 2.88Å; T297-H300 PolarHBondContact O-N 3.49Å; T297-E301 PolarHBondContact O-N 2.86Å; T297-E301 VanDerWaalsContact O-N 3.07Å; T297-Y330 HydrophobicContact CG2-CE1 3.76Å
298	M	92.8	Very high	88.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-42.1	177.1	-63.4	176.1	75.4	0	0	112.3	L294 N295 G296 H300 E301 V302 A324 L325 Y330 M334 M344 L348	L294-M298 HydrophobicContact CD1-CG 4.35Å; L294-M298 HydrophobicContact CD1-SD 4.21Å; L294-M298 HydrophobicContact CG-SD 4.29Å; L294-M298 WeakPolarHBondContact O-CG 3.39Å; L294-M298 PolarHBondContact O-N 2.95Å; N295-M298 WeakPolarHBondContact O-CA 3.46Å; N295-M298 WeakPolarHBondContact O-CB 3.46Å; N295-M298 PolarHBondContact O-N 3.26Å; G296-M298 VanDerWaalsContact C-N 3.35Å; G296-M298 PolarHBondContact O-N 2.93Å; M298-H300 VanDerWaalsContact C-N 3.33Å; M298-H300 PolarHBondContact O-N 3.18Å; M298-E301 PolarHBondContact O-N 2.85Å; M298-V302 WeakPolarHBondContact O-CG2 3.13Å; M298-V302 PolarHBondContact O-N 3.47Å; M298-A324 HydrophobicContact CE-CB 4.25Å; M298-L325 HydrophobicContact CE-CB 4.47Å; M298-L325 HydrophobicContact CE-CD2 3.78Å; M298-L325 HydrophobicContact CE-CG 3.9Å; M298-Y330 HydrophobicContact CE-CD2 4.19Å; M298-Y330 HydrophobicContact CE-CG 4.43Å; M298-Y330 HydrophobicContact CG-CD1 3.98Å; M298-Y330 HydrophobicContact CG-CD2 3.68Å; M298-Y330 HydrophobicContact CG-CE1 4.24Å; M298-Y330 HydrophobicContact CG-CE2 3.97Å; M298-Y330 HydrophobicContact CG-CG 3.71Å; M298-Y330 HydrophobicContact SD-CD2 4.35Å; M298-Y330 HydrophobicContact SD-CG 4.13Å; M298-M334 HydrophobicContact CE-CE 3.89Å; M298-M334 HydrophobicContact SD-CE 4Å; M298-M344 HydrophobicContact SD-CE 3.8Å; M298-L348 HydrophobicContact CB-CD1 4.37Å; M298-L348 HydrophobicContact CB-CD2 4.42Å; M298-L348 HydrophobicContact CE-CD2 4.02Å
299	V	95.2	Very high	90.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-39.5	175.6	-168	0	0	0	0	111	N295 G296 V302 F303 L348 Y351 L355 T437 L471	N295-V299 WeakPolarHBondContact O-CG2 3.47Å; N295-V299 PolarHBondContact O-N 2.85Å; N295-V299 WeakPolarHBondContact OD1-CG2 3.44Å; G296-V299 PolarHBondContact O-N 3.36Å; V299-V302 PolarHBondContact O-N 2.72Å; V299-F303 WeakPolarHBondContact O-CB 3.41Å; V299-F303 PolarHBondContact O-N 2.83Å; V299-L348 HydrophobicContact CB-CD1 4.4Å; V299-L348 HydrophobicContact CG2-CD1 3.75Å; V299-Y351 HydrophobicContact CB-CD1 4.47Å; V299-Y351 HydrophobicContact CG1-CD1 3.71Å; V299-Y351 HydrophobicContact CG1-CE1 4.4Å; V299-Y351 HydrophobicContact CG1-CG 3.91Å; V299-Y351 HydrophobicContact CG2-CD1 3.99Å; V299-Y351 HydrophobicContact CG2-CD2 3.89Å; V299-Y351 HydrophobicContact CG2-CE1 4.18Å; V299-Y351 HydrophobicContact CG2-CE2 4.1Å; V299-Y351 HydrophobicContact CG2-CG 3.85Å; V299-L355 HydrophobicContact CG1-CD1 4.38Å; V299-T437 HydrophobicContact CB-CG2 4.06Å; V299-T437 HydrophobicContact CG1-CG2 4.45Å; V299-T437 HydrophobicContact CG2-CG2 4.42Å; V299-L471 HydrophobicContact CB-CD1 4.29Å; V299-L471 HydrophobicContact CG1-CB 4.11Å; V299-L471 HydrophobicContact CG1-CD1 3.69Å
300	H	93.6	Very high	91.4	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-46.3	174.6	-77.7	-137.5	0	0	0	111	G296 T297 M298 V302 F303 Q304 D408 L435	G296-H300 PolarHBondContact O-CD2 2.75Å; G296-H300 PolarHBondContact O-N 3.32Å; T297-H300 PolarHBondContact O-N 3.49Å; M298-H300 VanDerWaalsContact C-N 3.33Å; M298-H300 PolarHBondContact O-N 3.18Å; H300-V302 PolarHBondContact O-N 3.34Å; H300-F303 PolarHBondContact O-N 2.75Å; H300-Q304 WeakPolarHBondContact O-CB 3.43Å; H300-Q304 WeakPolarHBondContact O-CG 3.42Å; H300-Q304 PolarHBondContact O-N 2.96Å; H300-D408 IonicContact CE1-OD1 2.76Å; H300-D408 IonicContact CE1-OD2 3.88Å; H300-D408 PolarHBondContact CE1-OD2 3.18Å; H300-D408 VanDerWaalsContact CE1-OD2 3.25Å; H300-D408 IonicContact ND1-OD1 2.82Å; H300-D408 PolarHBondContact ND1-OD1 3.14Å; H300-D408 IonicContact ND1-OD2 3.22Å; H300-D408 PolarHBondContact ND1-OD2 2.78Å; H300-L435 PolarHBondContact CE1-O 2.93Å
301	E	92	Very high	91.8	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-44.2	177.4	-176.2	178.2	130.1	0	0	112.4	T297 M298 F303 Q304 R305 Y330	T297-E301 PolarHBondContact O-N 2.86Å; T297-E301 VanDerWaalsContact O-N 3.07Å; M298-E301 PolarHBondContact O-N 2.85Å; E301-F303 PolarHBondContact O-N 2.92Å; E301-Q304 PolarHBondContact O-N 2.7Å; E301-R305 HydrophobicContact CG-CG 4.31Å; E301-R305 WeakPolarHBondContact O-CB 3.44Å; E301-R305 WeakPolarHBondContact O-CG 3.33Å; E301-R305 PolarHBondContact O-N 3.26Å; E301-R305 IonicContact OE1-CZ 3.86Å; E301-R305 IonicContact OE1-NE 3.2Å; E301-R305 PolarHBondContact OE1-NE 3.18Å; E301-R305 IonicContact OE1-NH2 2.84Å; E301-R305 PolarHBondContact OE1-NH2 3.45Å; E301-Y330 WeakPolarHBondContact OE2-CE2 3.49Å; E301-Y330 VanDerWaalsContact OE2-CZ 3.24Å; E301-Y330 PolarHBondContact OE2-OH 2.9Å
302	V	95	Very high	92.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-45.5	177.1	171.3	0	0	0	0	110.8	M298 V299 H300 R305 A306 L317 L320 A321 A324 L348 L352	M298-V302 WeakPolarHBondContact O-CG2 3.13Å; M298-V302 PolarHBondContact O-N 3.47Å; V299-V302 PolarHBondContact O-N 2.72Å; H300-V302 PolarHBondContact O-N 3.34Å; V302-R305 PolarHBondContact O-N 2.87Å; V302-A306 WeakPolarHBondContact O-CB 3.16Å; V302-A306 PolarHBondContact O-N 3.17Å; V302-L317 HydrophobicContact CG1-CD2 4.03Å; V302-L320 HydrophobicContact CG1-CB 4.14Å; V302-L320 HydrophobicContact CG2-CB 4.47Å; V302-A321 HydrophobicContact CG2-CB 4.3Å; V302-A324 HydrophobicContact CG2-CB 4.21Å; V302-L348 HydrophobicContact CG2-CD1 4.39Å; V302-L352 HydrophobicContact CG1-CD2 4.13Å
303	F	95.9	Very high	92.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-45	175.7	-174.5	-82.3	0	0	0	112.1	V299 H300 E301 A306 A307 F312 L355 W358 L389 V409 L435 L469 L471	V299-F303 WeakPolarHBondContact O-CB 3.41Å; V299-F303 PolarHBondContact O-N 2.83Å; H300-F303 PolarHBondContact O-N 2.75Å; E301-F303 PolarHBondContact O-N 2.92Å; F303-A306 PolarHBondContact O-N 2.99Å; F303-A307 VanDerWaalsContact O-CB 3.28Å; F303-A307 WeakPolarHBondContact O-CB 3.42Å; F303-A307 PolarHBondContact O-N 3.27Å; F303-F312 AromaticContact CD2-CE1 3.88Å; F303-F312 HydrophobicContact CD2-CE1 3.88Å; F303-F312 AromaticContact CE2-CE1 3.87Å; F303-F312 HydrophobicContact CE2-CE1 3.87Å; F303-F312 HydrophobicContact CE2-CZ 4.32Å; F303-F312 HydrophobicContact CG-CE1 4.34Å; F303-F312 HydrophobicContact CZ-CE1 4.3Å; F303-F312 HydrophobicContact CZ-CZ 4.3Å; F303-L355 HydrophobicContact CB-CD1 4.42Å; F303-L355 HydrophobicContact CD2-CD1 4.31Å; F303-L355 HydrophobicContact CD2-CD2 4.03Å; F303-W358 HydrophobicContact CE2-CD2 4.44Å; F303-W358 AromaticContact CE2-CE3 3.73Å; F303-W358 HydrophobicContact CE2-CE3 3.73Å; F303-W358 HydrophobicContact CE2-CH2 4.17Å; F303-W358 AromaticContact CE2-CZ3 3.58Å; F303-W358 HydrophobicContact CE2-CZ3 3.58Å; F303-W358 HydrophobicContact CZ-CE3 4.03Å; F303-W358 AromaticContact CZ-CH2 3.59Å; F303-W358 HydrophobicContact CZ-CH2 3.59Å; F303-W358 HydrophobicContact CZ-CZ2 4.3Å; F303-W358 AromaticContact CZ-CZ3 3.42Å; F303-W358 HydrophobicContact CZ-CZ3 3.42Å; F303-W358 VanDerWaalsContact CZ-CZ3 3.42Å; F303-L389 HydrophobicContact CE1-CD1 4.4Å; F303-V409 HydrophobicContact CD1-CG2 4.37Å; F303-V409 HydrophobicContact CE1-CG2 4.04Å; F303-L435 HydrophobicContact CB-CD1 4.43Å; F303-L435 HydrophobicContact CD1-CD1 3.56Å; F303-L435 HydrophobicContact CD1-CD2 4.35Å; F303-L435 HydrophobicContact CE1-CD1 4.01Å; F303-L435 HydrophobicContact CE1-CD2 3.99Å; F303-L435 HydrophobicContact CG-CD1 4.05Å; F303-L435 HydrophobicContact CZ-CD2 4.18Å; F303-L469 HydrophobicContact CE2-CD2 3.72Å; F303-L469 HydrophobicContact CZ-CD2 3.81Å; F303-L471 HydrophobicContact CD2-CD2 3.64Å; F303-L471 HydrophobicContact CE2-CD2 3.93Å; F303-L471 HydrophobicContact CG-CD2 4.22Å
304	Q	91.8	Very high	92.7	Very high	21 Å²	21	33 Å²	33	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-39.1	-179.1	-73.9	170.2	-11.1	0	0	112.3	H300 E301 S308 I392 D408	H300-Q304 WeakPolarHBondContact O-CB 3.43Å; H300-Q304 WeakPolarHBondContact O-CG 3.42Å; H300-Q304 PolarHBondContact O-N 2.96Å; E301-Q304 PolarHBondContact O-N 2.7Å; Q304-S308 WeakPolarHBondContact O-CB 3.28Å; Q304-S308 PolarHBondContact O-N 3.12Å; Q304-S308 PolarHBondContact O-OG 2.93Å; Q304-I392 HydrophobicContact CB-CD1 4.41Å; Q304-I392 HydrophobicContact CB-CG2 3.87Å; Q304-I392 HydrophobicContact CG-CG2 3.66Å; Q304-I392 VanDerWaalsContact O-CD1 3.29Å; Q304-I392 WeakPolarHBondContact O-CD1 3.37Å; Q304-D408 PolarHBondContact NE2-O 2.69Å
305	R	91.6	Very high	93	Very high	68 Å²	68	40.7 Å²	40.7	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-67.8	-40	173.4	-70.5	-175.4	-177.4	-160.9	11.4	111.9	E301 V302 S308 A309 L320 E323 E625	E301-R305 HydrophobicContact CG-CG 4.31Å; E301-R305 WeakPolarHBondContact O-CB 3.44Å; E301-R305 WeakPolarHBondContact O-CG 3.33Å; E301-R305 PolarHBondContact O-N 3.26Å; E301-R305 IonicContact OE1-CZ 3.86Å; E301-R305 IonicContact OE1-NE 3.2Å; E301-R305 PolarHBondContact OE1-NE 3.18Å; E301-R305 IonicContact OE1-NH2 2.84Å; E301-R305 PolarHBondContact OE1-NH2 3.45Å; V302-R305 PolarHBondContact O-N 2.87Å; R305-S308 PolarHBondContact O-N 3.31Å; R305-A309 WeakPolarHBondContact O-CB 3.36Å; R305-A309 PolarHBondContact O-N 2.96Å; R305-L320 HydrophobicContact CB-CD1 3.85Å; R305-L320 HydrophobicContact CB-CD2 3.73Å; R305-L320 HydrophobicContact CB-CG 4.34Å; R305-L320 HydrophobicContact CG-CD2 4.42Å; R305-E323 IonicContact NH1-OE2 2.72Å; R305-E323 PolarHBondContact NH1-OE2 3.45Å; R305-E323 VanDerWaalsContact NH1-OE2 3.1Å; R305-E625 IonicContact CZ-OE1 2.68Å; R305-E625 IonicContact NE-OE1 2.73Å; R305-E625 IonicContact NH2-OE1 2.64Å; R305-E625 PolarHBondContact NH2-OE1 2.64Å
306	A	93.7	Very high	93.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-45.4	174.5	0	0	0	0	0	112	V302 F303 S308 A309 K310 D311 F312 L317 L320	V302-A306 WeakPolarHBondContact O-CB 3.16Å; V302-A306 PolarHBondContact O-N 3.17Å; F303-A306 PolarHBondContact O-N 2.99Å; A306-S308 VanDerWaalsContact C-N 3.33Å; A306-S308 PolarHBondContact O-N 3.31Å; A306-A309 CarbonylContact O-C 3.58Å; A306-A309 PolarHBondContact O-N 2.67Å; A306-K310 PolarHBondContact O-N 2.94Å; A306-D311 WeakPolarHBondContact CA-O 3.4Å; A306-D311 WeakPolarHBondContact CB-O 3.29Å; A306-D311 PolarHBondContact O-N 3.36Å; A306-F312 HydrophobicContact CB-CD1 3.72Å; A306-F312 HydrophobicContact CB-CD2 4.46Å; A306-F312 HydrophobicContact CB-CE1 3.69Å; A306-F312 HydrophobicContact CB-CE2 4.44Å; A306-F312 HydrophobicContact CB-CG 4.12Å; A306-F312 HydrophobicContact CB-CZ 4.08Å; A306-L317 HydrophobicContact CB-CD2 3.75Å; A306-L320 HydrophobicContact CB-CD1 3.97Å
307	A	91.4	Very high	93.4	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-43.3	172.6	0	0	0	0	0	112.5	F303 K310 F312 L389 I392	F303-A307 VanDerWaalsContact O-CB 3.28Å; F303-A307 WeakPolarHBondContact O-CB 3.42Å; F303-A307 PolarHBondContact O-N 3.27Å; A307-K310 PolarHBondContact O-N 3.43Å; A307-F312 HydrophobicContact CB-CE2 4.37Å; A307-F312 HydrophobicContact CB-CZ 3.91Å; A307-L389 HydrophobicContact CB-CD1 3.5Å; A307-I392 HydrophobicContact CB-CD1 3.76Å
308	S	88.7	Confident	93.6	Very high	86 Å²	86	41.7 Å²	41.7	60%	0.601	22%	0.222	S	C	*	.	H	α-helix	trans	-65.4	-39.4	176.9	-58.4	0	0	0	0	112.6	Q304 R305 A306 K310 I392	Q304-S308 WeakPolarHBondContact O-CB 3.28Å; Q304-S308 PolarHBondContact O-N 3.12Å; Q304-S308 PolarHBondContact O-OG 2.93Å; R305-S308 PolarHBondContact O-N 3.31Å; A306-S308 VanDerWaalsContact C-N 3.33Å; A306-S308 PolarHBondContact O-N 3.31Å; S308-K310 VanDerWaalsContact C-N 3.29Å; S308-I392 WeakPolarHBondContact OG-CD1 3.18Å
309	A	89.6	Confident	93.7	Very high	55 Å²	55	46 Å²	46	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-75.7	-15.7	176.4	0	0	0	0	0	113.5	R305 A306 D311	R305-A309 WeakPolarHBondContact O-CB 3.36Å; R305-A309 PolarHBondContact O-N 2.96Å; A306-A309 CarbonylContact O-C 3.58Å; A306-A309 PolarHBondContact O-N 2.67Å; A309-D311 HydrophobicContact CB-CB 4.38Å; A309-D311 PolarHBondContact O-N 3.02Å
310	K	89.6	Confident	93.7	Very high	155 Å²	155	46.4 Å²	46.4	67%	0.674	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.6	-168.5	-55.8	-169.3	176.9	-166.9	0	113.3	A306 A307 S308	A306-K310 PolarHBondContact O-N 2.94Å; A307-K310 PolarHBondContact O-N 3.43Å; S308-K310 VanDerWaalsContact C-N 3.29Å
311	D	93.8	Very high	93.8	Very high	57 Å²	57	45 Å²	45	31%	0.305	24%	0.237	S	C	.	.			trans	-136.1	114.9	-178.3	177.2	4.9	0	0	0	109.6	A306 A309 S313 K316	A306-D311 WeakPolarHBondContact CA-O 3.4Å; A306-D311 WeakPolarHBondContact CB-O 3.29Å; A306-D311 PolarHBondContact O-N 3.36Å; A309-D311 HydrophobicContact CB-CB 4.38Å; A309-D311 PolarHBondContact O-N 3.02Å; D311-S313 VanDerWaalsContact OD1-CB 3.28Å; D311-S313 WeakPolarHBondContact OD1-CB 3.42Å; D311-S313 PolarHBondContact OD1-N 2.61Å; D311-S313 PolarHBondContact OD1-OG 3.48Å; D311-K316 HydrophobicContact CB-CB 4.43Å; D311-K316 HydrophobicContact CB-CG 4.05Å; D311-K316 VanDerWaalsContact CG-CB 3.49Å; D311-K316 VanDerWaalsContact OD2-CB 3.27Å; D311-K316 WeakPolarHBondContact OD2-CB 3.38Å; D311-K316 WeakPolarHBondContact OD2-CG 3.48Å
312	F	95.5	Very high	93.8	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.066	25%	0.246	C	C	.	.			trans	-115.6	19	179.2	-75.2	-94.1	0	0	0	112	F303 A306 A307 L317 E356 W358 A359 L363 L389	F303-F312 AromaticContact CD2-CE1 3.88Å; F303-F312 HydrophobicContact CD2-CE1 3.88Å; F303-F312 AromaticContact CE2-CE1 3.87Å; F303-F312 HydrophobicContact CE2-CE1 3.87Å; F303-F312 HydrophobicContact CE2-CZ 4.32Å; F303-F312 HydrophobicContact CG-CE1 4.34Å; F303-F312 HydrophobicContact CZ-CE1 4.3Å; F303-F312 HydrophobicContact CZ-CZ 4.3Å; A306-F312 HydrophobicContact CB-CD1 3.72Å; A306-F312 HydrophobicContact CB-CD2 4.46Å; A306-F312 HydrophobicContact CB-CE1 3.69Å; A306-F312 HydrophobicContact CB-CE2 4.44Å; A306-F312 HydrophobicContact CB-CG 4.12Å; A306-F312 HydrophobicContact CB-CZ 4.08Å; A307-F312 HydrophobicContact CB-CE2 4.37Å; A307-F312 HydrophobicContact CB-CZ 3.91Å; F312-L317 HydrophobicContact CD1-CD2 4.24Å; F312-L317 WeakPolarHBondContact O-CD1 3.49Å; F312-E356 WeakPolarHBondContact O-CB 3.49Å; F312-W358 HydrophobicContact CE1-CZ3 4.19Å; F312-W358 HydrophobicContact CZ-CZ3 4Å; F312-A359 HydrophobicContact CB-CB 3.36Å; F312-A359 HydrophobicContact CD1-CB 3.97Å; F312-A359 HydrophobicContact CD2-CB 3.78Å; F312-A359 HydrophobicContact CG-CB 3.45Å; F312-A359 VanDerWaalsContact CG-CB 3.45Å; F312-L363 HydrophobicContact CE2-CD1 4.03Å; F312-L389 HydrophobicContact CZ-CD1 4.32Å
313	S	95.3	Very high	93.7	Very high	42 Å²	42	49.4 Å²	49.4	29%	0.294	26%	0.26	S	S	.	.			trans	-61.1	146	173.7	61.8	0	0	0	0	111.1	D311 Q315 K316 L317 E356	D311-S313 VanDerWaalsContact OD1-CB 3.28Å; D311-S313 WeakPolarHBondContact OD1-CB 3.42Å; D311-S313 PolarHBondContact OD1-N 2.61Å; D311-S313 PolarHBondContact OD1-OG 3.48Å; S313-Q315 PolarHBondContact O-N 3.43Å; S313-Q315 VanDerWaalsContact O-N 3.14Å; S313-K316 PolarHBondContact O-N 3.23Å; S313-K316 WeakPolarHBondContact OG-CB 3.37Å; S313-K316 PolarHBondContact OG-N 3.07Å; S313-L317 WeakPolarHBondContact O-CG 3.48Å; S313-L317 PolarHBondContact O-N 2.99Å; S313-E356 WeakPolarHBondContact CA-OE1 3.47Å
314	L	95.4	Very high	93.5	Very high	71 Å²	71	49.4 Å²	49.4	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-54	-34.6	177.3	-93.9	169.7	0	0	0	112.7	S318 L352 P353 E356	L314-S318 WeakPolarHBondContact O-CB 3.47Å; L314-S318 PolarHBondContact O-N 3.22Å; L314-L352 HydrophobicContact CD2-CB 3.92Å; L314-P353 HydrophobicContact CD2-CG 4.39Å; L314-E356 VanDerWaalsContact CD1-OE2 3.27Å; L314-E356 WeakPolarHBondContact CD1-OE2 3.46Å; L314-E356 HydrophobicContact CG-CB 4.39Å; L314-E356 WeakPolarHBondContact CG-OE2 3.45Å; L314-E356 PolarHBondContact N-OE1 1.9Å
315	Q	95.7	Very high	93.4	Very high	169 Å²	169	48.6 Å²	48.6	79%	0.79	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-46.9	173.9	-174.9	178	5	0	0	111.6	S313 Q319	S313-Q315 PolarHBondContact O-N 3.43Å; S313-Q315 VanDerWaalsContact O-N 3.14Å; Q315-Q319 PolarHBondContact O-N 2.98Å; Q315-Q319 VanDerWaalsContact O-N 3.07Å
316	K	95.9	Very high	93.3	Very high	43 Å²	43	51.2 Å²	51.2	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-41.9	178.8	-171.7	71.5	-152.9	163.8	0	112.1	D311 S313 Q319 L320	D311-K316 HydrophobicContact CB-CB 4.43Å; D311-K316 HydrophobicContact CB-CG 4.05Å; D311-K316 VanDerWaalsContact CG-CB 3.49Å; D311-K316 VanDerWaalsContact OD2-CB 3.27Å; D311-K316 WeakPolarHBondContact OD2-CB 3.38Å; D311-K316 WeakPolarHBondContact OD2-CG 3.48Å; S313-K316 PolarHBondContact O-N 3.23Å; S313-K316 WeakPolarHBondContact OG-CB 3.37Å; S313-K316 PolarHBondContact OG-N 3.07Å; K316-Q319 WeakPolarHBondContact O-CB 3.28Å; K316-Q319 PolarHBondContact O-N 2.94Å; K316-L320 HydrophobicContact CG-CD1 4.1Å; K316-L320 WeakPolarHBondContact O-CB 3.48Å; K316-L320 VanDerWaalsContact O-CG 3.25Å; K316-L320 WeakPolarHBondContact O-CG 3.02Å; K316-L320 PolarHBondContact O-N 3.49Å
317	L	96.8	Very high	93	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-42.5	177.1	-70.9	174.7	0	0	0	112	V302 A306 F312 S313 L320 A321 L352 L355 E356	V302-L317 HydrophobicContact CG1-CD2 4.03Å; A306-L317 HydrophobicContact CB-CD2 3.75Å; F312-L317 HydrophobicContact CD1-CD2 4.24Å; F312-L317 WeakPolarHBondContact O-CD1 3.49Å; S313-L317 WeakPolarHBondContact O-CG 3.48Å; S313-L317 PolarHBondContact O-N 2.99Å; L317-L320 PolarHBondContact O-N 2.8Å; L317-A321 WeakPolarHBondContact O-CB 3.2Å; L317-A321 PolarHBondContact O-N 3.03Å; L317-L352 HydrophobicContact CB-CB 4.25Å; L317-L352 HydrophobicContact CB-CD2 4.24Å; L317-L352 HydrophobicContact CD1-CB 4.47Å; L317-L352 WeakPolarHBondContact CD1-O 3.46Å; L317-L355 HydrophobicContact CD1-CB 3.9Å; L317-L355 HydrophobicContact CD2-CB 4.39Å; L317-L355 HydrophobicContact CD2-CD1 4.23Å; L317-E356 HydrophobicContact CD1-CB 4.05Å
318	S	96.4	Very high	92.5	Very high	41 Å²	41	55 Å²	55	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-43.4	175	179.1	0	0	0	0	111.9	L314 L320 A321 D322	L314-S318 WeakPolarHBondContact O-CB 3.47Å; L314-S318 PolarHBondContact O-N 3.22Å; S318-L320 VanDerWaalsContact C-N 3.33Å; S318-L320 PolarHBondContact O-N 3.45Å; S318-A321 PolarHBondContact O-N 3.04Å; S318-D322 PolarHBondContact O-N 2.73Å
319	Q	95.9	Very high	92.3	Very high	90 Å²	90	57.6 Å²	57.6	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-55.1	-48.9	172.4	-176.2	-163.8	-13	0	0	111.5	Q315 K316 D322 E323	Q315-Q319 PolarHBondContact O-N 2.98Å; Q315-Q319 VanDerWaalsContact O-N 3.07Å; K316-Q319 WeakPolarHBondContact O-CB 3.28Å; K316-Q319 PolarHBondContact O-N 2.94Å; Q319-D322 PolarHBondContact O-N 3.23Å; Q319-E323 PolarHBondContact NE2-OE1 2.99Å; Q319-E323 WeakPolarHBondContact O-CG 3.4Å; Q319-E323 PolarHBondContact O-N 3.39Å
320	L	95.2	Very high	92.3	Very high	8 Å²	8	55 Å²	55	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-35.7	-178.9	-69.4	173.2	0	0	0	112.3	V302 R305 A306 K316 L317 S318 E323 A324	V302-L320 HydrophobicContact CG1-CB 4.14Å; V302-L320 HydrophobicContact CG2-CB 4.47Å; R305-L320 HydrophobicContact CB-CD1 3.85Å; R305-L320 HydrophobicContact CB-CD2 3.73Å; R305-L320 HydrophobicContact CB-CG 4.34Å; R305-L320 HydrophobicContact CG-CD2 4.42Å; A306-L320 HydrophobicContact CB-CD1 3.97Å; K316-L320 HydrophobicContact CG-CD1 4.1Å; K316-L320 WeakPolarHBondContact O-CB 3.48Å; K316-L320 VanDerWaalsContact O-CG 3.25Å; K316-L320 WeakPolarHBondContact O-CG 3.02Å; K316-L320 PolarHBondContact O-N 3.49Å; L317-L320 PolarHBondContact O-N 2.8Å; S318-L320 VanDerWaalsContact C-N 3.33Å; S318-L320 PolarHBondContact O-N 3.45Å; L320-E323 PolarHBondContact O-N 3.38Å; L320-A324 WeakPolarHBondContact O-CB 2.75Å; L320-A324 PolarHBondContact O-N 3.38Å
321	A	95	Very high	92.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-46.4	173.7	0	0	0	0	0	111.7	V302 L317 S318 E323 A324 L325 L348 L352	V302-A321 HydrophobicContact CG2-CB 4.3Å; L317-A321 WeakPolarHBondContact O-CB 3.2Å; L317-A321 PolarHBondContact O-N 3.03Å; S318-A321 PolarHBondContact O-N 3.04Å; A321-E323 VanDerWaalsContact C-N 3.34Å; A321-E323 PolarHBondContact O-N 2.75Å; A321-A324 PolarHBondContact O-N 2.94Å; A321-L325 WeakPolarHBondContact O-CB 3.45Å; A321-L325 WeakPolarHBondContact O-CD1 3.37Å; A321-L325 VanDerWaalsContact O-CG 3.31Å; A321-L325 WeakPolarHBondContact O-CG 3.29Å; A321-L325 PolarHBondContact O-N 3.25Å; A321-L348 HydrophobicContact CB-CD2 3.72Å; A321-L348 HydrophobicContact CB-CG 4Å; A321-L352 HydrophobicContact CB-CD1 4.16Å; A321-L352 HydrophobicContact CB-CD2 4.29Å
322	D	92.8	Very high	92.1	Very high	48 Å²	48	45 Å²	45	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-69.1	-29.8	177	-75.5	-16.9	0	0	0	112.6	S318 Q319 R326 Q345 H349	S318-D322 PolarHBondContact O-N 2.73Å; Q319-D322 PolarHBondContact O-N 3.23Å; D322-R326 PolarHBondContact O-N 2.95Å; D322-R326 PolarHBondContact O-NE 2.94Å; D322-R326 PolarHBondContact O-NH2 2.82Å; D322-Q345 PolarHBondContact OD1-NE2 3.3Å; D322-H349 IonicContact OD1-CE1 2.55Å
323	E	91.6	Very high	91.9	Very high	62 Å²	62	46.4 Å²	46.4	29%	0.29	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-46.9	168.1	-77.2	173.4	-162.4	0	0	111.5	R305 Q319 L320 A321 L325 R326 N327	R305-E323 IonicContact NH1-OE2 2.72Å; R305-E323 PolarHBondContact NH1-OE2 3.45Å; R305-E323 VanDerWaalsContact NH1-OE2 3.1Å; Q319-E323 PolarHBondContact NE2-OE1 2.99Å; Q319-E323 WeakPolarHBondContact O-CG 3.4Å; Q319-E323 PolarHBondContact O-N 3.39Å; L320-E323 PolarHBondContact O-N 3.38Å; A321-E323 VanDerWaalsContact C-N 3.34Å; A321-E323 PolarHBondContact O-N 2.75Å; E323-L325 PolarHBondContact O-N 3.47Å; E323-R326 PolarHBondContact O-N 3.2Å; E323-N327 PolarHBondContact O-N 2.56Å
324	A	91.1	Very high	91.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-40.7	176.7	0	0	0	0	0	112	M298 V302 L320 A321 R326 N327 Y330	M298-A324 HydrophobicContact CE-CB 4.25Å; V302-A324 HydrophobicContact CG2-CB 4.21Å; L320-A324 WeakPolarHBondContact O-CB 2.75Å; L320-A324 PolarHBondContact O-N 3.38Å; A321-A324 PolarHBondContact O-N 2.94Å; A324-R326 PolarHBondContact O-N 3.39Å; A324-N327 WeakPolarHBondContact O-CB 3.12Å; A324-N327 PolarHBondContact O-N 2.97Å; A324-Y330 WeakPolarHBondContact O-CD2 3.26Å
325	L	91.2	Very high	91.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-23.6	175.9	-75.9	156.9	0	0	0	113.7	M298 A321 E323 L331 M334 Q341 M344 Q345 L348	M298-L325 HydrophobicContact CE-CB 4.47Å; M298-L325 HydrophobicContact CE-CD2 3.78Å; M298-L325 HydrophobicContact CE-CG 3.9Å; A321-L325 WeakPolarHBondContact O-CB 3.45Å; A321-L325 WeakPolarHBondContact O-CD1 3.37Å; A321-L325 VanDerWaalsContact O-CG 3.31Å; A321-L325 WeakPolarHBondContact O-CG 3.29Å; A321-L325 PolarHBondContact O-N 3.25Å; E323-L325 PolarHBondContact O-N 3.47Å; L325-L331 WeakPolarHBondContact O-CD2 3.5Å; L325-M334 HydrophobicContact CD2-CE 4.12Å; L325-Q341 PolarHBondContact O-NE2 2.64Å; L325-M344 HydrophobicContact CD2-CB 4.07Å; L325-Q345 HydrophobicContact CD1-CB 3.66Å; L325-Q345 HydrophobicContact CD1-CG 3.56Å; L325-Q345 HydrophobicContact CD2-CB 4.01Å; L325-L348 HydrophobicContact CD1-CD2 4.18Å; L325-L348 HydrophobicContact CG-CD2 4.06Å
326	R	88.9	Confident	91.3	Very high	123 Å²	123	34.5 Å²	34.5	46%	0.464	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	0.6	174.5	-70.7	173.2	-75.4	-176.1	-2.9	113	D322 E323 A324 H328	D322-R326 PolarHBondContact O-N 2.95Å; D322-R326 PolarHBondContact O-NE 2.94Å; D322-R326 PolarHBondContact O-NH2 2.82Å; E323-R326 PolarHBondContact O-N 3.2Å; A324-R326 PolarHBondContact O-N 3.39Å; R326-H328 PolarHBondContact O-N 3.2Å
327	N	86.4	Confident	91.1	Very high	13 Å²	13	35 Å²	35	7%	0.07	17%	0.165	C	C	.	.			trans	-69.8	121.6	-179.5	-170.3	-26.4	0	0	0	110.9	E323 A324 R329 Y330 L331 E625	E323-N327 PolarHBondContact O-N 2.56Å; A324-N327 WeakPolarHBondContact O-CB 3.12Å; A324-N327 PolarHBondContact O-N 2.97Å; N327-R329 PolarHBondContact O-N 2.87Å; N327-R329 PolarHBondContact OD1-N 3.19Å; N327-Y330 HydrophobicContact CB-CD2 3.84Å; N327-Y330 HydrophobicContact CB-CE2 4.3Å; N327-Y330 PolarHBondContact O-N 2.85Å; N327-L331 WeakPolarHBondContact O-CG 3.33Å; N327-L331 PolarHBondContact O-N 2.93Å; N327-E625 PolarHBondContact ND2-OE2 2.95Å
328	H	82.1	Confident	90.8	Very high	72 Å²	72	37 Å²	37	33%	0.333	19%	0.185	S	C	.	.	H	α-helix	trans	-49.6	-28.7	178.1	-49.9	106.9	0	0	0	114.5	R326 G332 R853 V857	R326-H328 PolarHBondContact O-N 3.2Å; H328-G332 PolarHBondContact O-N 3.08Å; H328-R853 PolarHBondContact O-NH1 2.92Å; H328-V857 PolarHBondContact CD2-O 2.84Å; H328-V857 VanDerWaalsContact CD2-O 3.31Å
329	R	83.6	Confident	90.6	Very high	141 Å²	141	35.9 Å²	35.9	53%	0.532	18%	0.177	S	C	.	.	H	α-helix	trans	-63.8	-61.2	173.5	179.6	-177.7	175.5	-171.1	-2.1	110.6	N327 L331 G332 D333	N327-R329 PolarHBondContact O-N 2.87Å; N327-R329 PolarHBondContact OD1-N 3.19Å; R329-L331 VanDerWaalsContact C-N 3.33Å; R329-L331 PolarHBondContact O-N 2.68Å; R329-G332 WeakPolarHBondContact O-CA 3.4Å; R329-G332 PolarHBondContact O-N 2.87Å; R329-D333 PolarHBondContact O-N 2.81Å; R329-D333 VanDerWaalsContact O-N 3.12Å
330	Y	89.4	Confident	90.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-31.4	-175.8	-55.1	-47.1	0	0	0	112.5	L294 T297 M298 E301 A324 N327 G332 D333 M334	L294-Y330 HydrophobicContact CD1-CD1 3.56Å; L294-Y330 HydrophobicContact CD1-CE1 4.47Å; L294-Y330 HydrophobicContact CD1-CG 4.12Å; T297-Y330 HydrophobicContact CG2-CE1 3.76Å; M298-Y330 HydrophobicContact CE-CD2 4.19Å; M298-Y330 HydrophobicContact CE-CG 4.43Å; M298-Y330 HydrophobicContact CG-CD1 3.98Å; M298-Y330 HydrophobicContact CG-CD2 3.68Å; M298-Y330 HydrophobicContact CG-CE1 4.24Å; M298-Y330 HydrophobicContact CG-CE2 3.97Å; M298-Y330 HydrophobicContact CG-CG 3.71Å; M298-Y330 HydrophobicContact SD-CD2 4.35Å; M298-Y330 HydrophobicContact SD-CG 4.13Å; E301-Y330 WeakPolarHBondContact OE2-CE2 3.49Å; E301-Y330 VanDerWaalsContact OE2-CZ 3.24Å; E301-Y330 PolarHBondContact OE2-OH 2.9Å; A324-Y330 WeakPolarHBondContact O-CD2 3.26Å; N327-Y330 HydrophobicContact CB-CD2 3.84Å; N327-Y330 HydrophobicContact CB-CE2 4.3Å; N327-Y330 PolarHBondContact O-N 2.85Å; Y330-G332 PolarHBondContact O-N 2.8Å; Y330-D333 PolarHBondContact O-N 2.93Å; Y330-D333 VanDerWaalsContact O-N 3.15Å; Y330-M334 WeakPolarHBondContact O-CB 3.49Å; Y330-M334 WeakPolarHBondContact O-CG 3.42Å; Y330-M334 PolarHBondContact O-N 3.06Å
331	L	90.6	Very high	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-35.7	168.7	-64.8	177.6	0	0	0	112.1	L325 N327 R329 M334 F335 Q341 L860 L863	L325-L331 WeakPolarHBondContact O-CD2 3.5Å; N327-L331 WeakPolarHBondContact O-CG 3.33Å; N327-L331 PolarHBondContact O-N 2.93Å; R329-L331 VanDerWaalsContact C-N 3.33Å; R329-L331 PolarHBondContact O-N 2.68Å; L331-M334 HydrophobicContact CD2-SD 4.13Å; L331-F335 WeakPolarHBondContact O-CB 3.31Å; L331-F335 PolarHBondContact O-N 2.76Å; L331-Q341 HydrophobicContact CD2-CG 4.49Å; L331-L860 HydrophobicContact CD2-CB 4.23Å; L331-L860 WeakPolarHBondContact O-CD1 3.24Å; L331-L863 VanDerWaalsContact C-CD2 3.43Å; L331-L863 HydrophobicContact CB-CD2 3.75Å; L331-L863 WeakPolarHBondContact O-CD2 3.26Å
332	G	89.8	Confident	90.3	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-43	173.1	0	0	0	0	0	112.8	H328 R329 Y330 F335 A336 P883	H328-G332 PolarHBondContact O-N 3.08Å; R329-G332 WeakPolarHBondContact O-CA 3.4Å; R329-G332 PolarHBondContact O-N 2.87Å; Y330-G332 PolarHBondContact O-N 2.8Å; G332-F335 WeakPolarHBondContact O-CB 3.44Å; G332-F335 PolarHBondContact O-N 2.67Å; G332-A336 PolarHBondContact O-N 3.08Å; G332-P883 VanDerWaalsContact O-CB 3.29Å; G332-P883 WeakPolarHBondContact O-CB 3.44Å; G332-P883 WeakPolarHBondContact O-CG 3.46Å
333	D	90.1	Very high	90.3	Very high	44 Å²	44	41.1 Å²	41.1	24%	0.235	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-37.6	177.7	-61.2	-38.8	0	0	0	111.7	L294 R329 Y330 A336 L337	L294-D333 HydrophobicContact CD1-CB 3.66Å; L294-D333 HydrophobicContact CD2-CB 4.05Å; L294-D333 HydrophobicContact CG-CB 4.41Å; R329-D333 PolarHBondContact O-N 2.81Å; R329-D333 VanDerWaalsContact O-N 3.12Å; Y330-D333 PolarHBondContact O-N 2.93Å; Y330-D333 VanDerWaalsContact O-N 3.15Å; D333-A336 PolarHBondContact O-N 3.27Å; D333-L337 WeakPolarHBondContact O-CB 3.4Å; D333-L337 WeakPolarHBondContact O-CG 3.48Å; D333-L337 PolarHBondContact O-N 3.33Å
334	M	92.6	Very high	90.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-45.6	169.8	-69.3	173.8	-159.1	0	0	111.3	L294 M298 L325 Y330 L331 A336 L337 G338 V339 Q341 M344 L860	L294-M334 HydrophobicContact CD2-CG 3.76Å; M298-M334 HydrophobicContact CE-CE 3.89Å; M298-M334 HydrophobicContact SD-CE 4Å; L325-M334 HydrophobicContact CD2-CE 4.12Å; Y330-M334 WeakPolarHBondContact O-CB 3.49Å; Y330-M334 WeakPolarHBondContact O-CG 3.42Å; Y330-M334 PolarHBondContact O-N 3.06Å; L331-M334 HydrophobicContact CD2-SD 4.13Å; M334-A336 VanDerWaalsContact C-N 3.3Å; M334-A336 PolarHBondContact O-N 2.87Å; M334-L337 PolarHBondContact O-N 2.93Å; M334-G338 PolarHBondContact O-N 3.44Å; M334-V339 HydrophobicContact CB-CG2 3.99Å; M334-V339 HydrophobicContact CG-CG2 4Å; M334-V339 PolarHBondContact O-N 3.29Å; M334-Q341 HydrophobicContact SD-CB 4.33Å; M334-Q341 HydrophobicContact SD-CG 4.22Å; M334-M344 HydrophobicContact CE-CB 3.93Å; M334-M344 HydrophobicContact CE-CG 4.06Å; M334-M344 HydrophobicContact CG-CG 4.05Å; M334-M344 HydrophobicContact SD-CB 4.47Å; M334-M344 HydrophobicContact SD-CG 4.23Å; M334-L860 HydrophobicContact CB-CD1 4.04Å; M334-L860 HydrophobicContact CB-CD2 4.2Å
335	F	92.1	Very high	90.6	Very high	16 Å²	16	41.9 Å²	41.9	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.5	175	175.7	-84.4	0	0	0	111.5	L331 G332 G338 L860 L863 Q864 Y867 P883 R887	L331-F335 WeakPolarHBondContact O-CB 3.31Å; L331-F335 PolarHBondContact O-N 2.76Å; G332-F335 WeakPolarHBondContact O-CB 3.44Å; G332-F335 PolarHBondContact O-N 2.67Å; F335-G338 PolarHBondContact O-N 2.98Å; F335-L860 HydrophobicContact CB-CD1 3.94Å; F335-L863 HydrophobicContact CB-CD2 4.48Å; F335-Q864 HydrophobicContact CD2-CG 3.69Å; F335-Q864 HydrophobicContact CE2-CG 3.9Å; F335-Y867 HydrophobicContact CB-CE2 4.39Å; F335-Y867 AromaticContact CD1-CD2 3.89Å; F335-Y867 HydrophobicContact CD1-CD2 3.89Å; F335-Y867 AromaticContact CD1-CE2 3.79Å; F335-Y867 HydrophobicContact CD1-CE2 3.79Å; F335-Y867 AromaticContact CD2-CD2 3.81Å; F335-Y867 HydrophobicContact CD2-CD2 3.81Å; F335-Y867 HydrophobicContact CD2-CE2 4.19Å; F335-Y867 AromaticContact CE1-CD2 3.83Å; F335-Y867 HydrophobicContact CE1-CD2 3.83Å; F335-Y867 HydrophobicContact CE1-CE2 4.14Å; F335-Y867 AromaticContact CE2-CD2 3.73Å; F335-Y867 HydrophobicContact CE2-CD2 3.73Å; F335-Y867 HydrophobicContact CE2-CE2 4.49Å; F335-Y867 AromaticContact CG-CD2 3.9Å; F335-Y867 HydrophobicContact CG-CD2 3.9Å; F335-Y867 AromaticContact CG-CE2 3.84Å; F335-Y867 HydrophobicContact CG-CE2 3.84Å; F335-Y867 AromaticContact CZ-CD2 3.74Å; F335-Y867 HydrophobicContact CZ-CD2 3.74Å; F335-Y867 HydrophobicContact CZ-CE2 4.48Å; F335-P883 HydrophobicContact CD1-CB 4.14Å; F335-P883 WeakPolarHBondContact CE1-O 3.47Å; F335-R887 HydrophobicContact CE1-CB 4.03Å; F335-R887 HydrophobicContact CE1-CG 4.39Å; F335-R887 HydrophobicContact CZ-CB 3.95Å; F335-R887 WeakPolarHBondContact O-CD 3.26Å; F335-R887 PolarHBondContact O-NH1 3.19Å
336	A	90.7	Very high	90.7	Very high	15 Å²	15	48.3 Å²	48.3	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-44.6	-179.1	0	0	0	0	0	112.7	G332 D333 M334 P883 T886	G332-A336 PolarHBondContact O-N 3.08Å; D333-A336 PolarHBondContact O-N 3.27Å; M334-A336 VanDerWaalsContact C-N 3.3Å; M334-A336 PolarHBondContact O-N 2.87Å; A336-P883 HydrophobicContact CB-CB 4.13Å; A336-T886 HydrophobicContact CB-CG2 4.02Å
337	L	90.6	Very high	90.9	Very high	54 Å²	54	44.6 Å²	44.6	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-75.8	-24	178.8	-74.2	168.4	0	0	0	113.6	G288 L294 D333 M334 V339	G288-L337 VanDerWaalsContact O-CD2 3.28Å; G288-L337 WeakPolarHBondContact O-CD2 3.42Å; L294-L337 HydrophobicContact CB-CD1 3.96Å; L294-L337 HydrophobicContact CD2-CD1 3.85Å; D333-L337 WeakPolarHBondContact O-CB 3.4Å; D333-L337 WeakPolarHBondContact O-CG 3.48Å; D333-L337 PolarHBondContact O-N 3.33Å; M334-L337 PolarHBondContact O-N 2.93Å; L337-V339 HydrophobicContact CB-CG1 4.19Å; L337-V339 HydrophobicContact CB-CG2 4.17Å
338	G	90.7	Very high	91.3	Very high	42 Å²	42	44 Å²	44	43%	0.433	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	14.4	-176.5	0	0	0	0	0	115.1	M334 F335	M334-G338 PolarHBondContact O-N 3.44Å; F335-G338 PolarHBondContact O-N 2.98Å
339	V	92.5	Very high	91.9	Very high	18 Å²	18	43.4 Å²	43.4	11%	0.109	22%	0.22	C	C	.	.			trans	-79.3	159	176.1	-63.6	0	0	0	0	111.6	K291 L294 M334 L337 E343 M344 L860	K291-V339 HydrophobicContact CB-CG1 4.21Å; K291-V339 HydrophobicContact CD-CG1 3.84Å; K291-V339 HydrophobicContact CG-CG1 4.05Å; L294-V339 HydrophobicContact CD2-CG2 4.43Å; M334-V339 HydrophobicContact CB-CG2 3.99Å; M334-V339 HydrophobicContact CG-CG2 4Å; M334-V339 PolarHBondContact O-N 3.29Å; L337-V339 HydrophobicContact CB-CG1 4.19Å; L337-V339 HydrophobicContact CB-CG2 4.17Å; V339-E343 WeakPolarHBondContact CB-OE2 3.26Å; V339-M344 HydrophobicContact CG2-CG 3.91Å; V339-M344 HydrophobicContact CG2-SD 4.01Å; V339-L860 VanDerWaalsContact O-CD2 3.3Å; V339-L860 WeakPolarHBondContact O-CD2 3.46Å
340	S	92.9	Very high	92.4	Very high	43 Å²	43	42.1 Å²	42.1	30%	0.301	22%	0.219	S	C	.	.			trans	-89.1	156.6	178.5	110.7	0	0	0	0	112.2	E342 E343 M344	S340-E342 VanDerWaalsContact C-N 3.3Å; S340-E342 WeakPolarHBondContact CB-OE2 3.41Å; S340-E342 PolarHBondContact OG-N 3.02Å; S340-E342 PolarHBondContact OG-OE2 2.78Å; S340-E343 PolarHBondContact N-OE2 3.31Å; S340-E343 PolarHBondContact OG-N 3.4Å; S340-M344 VanDerWaalsContact O-CG 3.32Å; S340-M344 WeakPolarHBondContact O-CG 3.5Å; S340-M344 PolarHBondContact O-N 3.26Å
341	Q	93.4	Very high	92.7	Very high	31 Å²	31	42.6 Å²	42.6	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-30.5	179.8	-167	169.8	-5.4	0	0	111	L325 L331 M334 Q345 L860	L325-Q341 PolarHBondContact O-NE2 2.64Å; L331-Q341 HydrophobicContact CD2-CG 4.49Å; M334-Q341 HydrophobicContact SD-CB 4.33Å; M334-Q341 HydrophobicContact SD-CG 4.22Å; Q341-Q345 WeakPolarHBondContact O-CB 3.34Å; Q341-Q345 PolarHBondContact O-N 2.89Å; Q341-L860 HydrophobicContact CB-CB 4.35Å
342	E	92.7	Very high	93	Very high	112 Å²	112	42.7 Å²	42.7	52%	0.523	22%	0.222	S	C	.	.	H	α-helix	trans	-72.6	-41.3	176.7	-51.4	73.5	-162.8	0	0	111.8	S340 Q345 Q346	S340-E342 VanDerWaalsContact C-N 3.3Å; S340-E342 WeakPolarHBondContact CB-OE2 3.41Å; S340-E342 PolarHBondContact OG-N 3.02Å; S340-E342 PolarHBondContact OG-OE2 2.78Å; E342-Q345 PolarHBondContact O-N 2.96Å; E342-Q346 WeakPolarHBondContact O-CG 3.48Å; E342-Q346 PolarHBondContact O-N 2.71Å
343	E	93.6	Very high	93.3	Very high	69 Å²	69	45.9 Å²	45.9	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-46.7	172.5	179.7	-175.9	-165.3	0	0	110.7	K291 V339 S340 Q346 E347	K291-E343 HydrophobicContact CD-CG 4.28Å; K291-E343 WeakPolarHBondContact CD-OE1 3.07Å; K291-E343 WeakPolarHBondContact CE-OE1 3.34Å; K291-E343 IonicContact NZ-OE1 3.24Å; K291-E343 PolarHBondContact NZ-OE1 3.07Å; V339-E343 WeakPolarHBondContact CB-OE2 3.26Å; S340-E343 PolarHBondContact N-OE2 3.31Å; S340-E343 PolarHBondContact OG-N 3.4Å; E343-Q346 PolarHBondContact O-N 3.14Å; E343-E347 PolarHBondContact O-N 3.12Å; E343-E347 VanDerWaalsContact O-N 3.09Å
344	M	94.3	Very high	93.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-35.5	175.5	-67.5	-59.1	-51	0	0	112.6	K291 L294 N295 M298 L325 M334 V339 S340 L348	K291-M344 HydrophobicContact CD-SD 4.19Å; K291-M344 HydrophobicContact CG-SD 3.71Å; L294-M344 HydrophobicContact CB-CE 4.41Å; L294-M344 HydrophobicContact CD2-CE 3.99Å; L294-M344 HydrophobicContact CD2-SD 4.21Å; L294-M344 HydrophobicContact CG-CE 3.79Å; N295-M344 HydrophobicContact CB-CE 3.75Å; M298-M344 HydrophobicContact SD-CE 3.8Å; L325-M344 HydrophobicContact CD2-CB 4.07Å; M334-M344 HydrophobicContact CE-CB 3.93Å; M334-M344 HydrophobicContact CE-CG 4.06Å; M334-M344 HydrophobicContact CG-CG 4.05Å; M334-M344 HydrophobicContact SD-CB 4.47Å; M334-M344 HydrophobicContact SD-CG 4.23Å; V339-M344 HydrophobicContact CG2-CG 3.91Å; V339-M344 HydrophobicContact CG2-SD 4.01Å; S340-M344 VanDerWaalsContact O-CG 3.32Å; S340-M344 WeakPolarHBondContact O-CG 3.5Å; S340-M344 PolarHBondContact O-N 3.26Å; M344-L348 VanDerWaalsContact O-CB 3.24Å; M344-L348 WeakPolarHBondContact O-CB 3.41Å; M344-L348 PolarHBondContact O-N 2.98Å
345	Q	94.3	Very high	93.7	Very high	78 Å²	78	45.1 Å²	45.1	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-44.6	175.2	-176.2	174.4	43.8	0	0	111.3	D322 L325 Q341 E342 L348 H349	D322-Q345 PolarHBondContact OD1-NE2 3.3Å; L325-Q345 HydrophobicContact CD1-CB 3.66Å; L325-Q345 HydrophobicContact CD1-CG 3.56Å; L325-Q345 HydrophobicContact CD2-CB 4.01Å; Q341-Q345 WeakPolarHBondContact O-CB 3.34Å; Q341-Q345 PolarHBondContact O-N 2.89Å; E342-Q345 PolarHBondContact O-N 2.96Å; Q345-L348 PolarHBondContact O-N 3.32Å; Q345-H349 WeakPolarHBondContact O-CB 3.25Å; Q345-H349 PolarHBondContact O-N 3.41Å; Q345-H349 PolarHBondContact O-ND1 3.01Å
346	Q	93.6	Very high	93.9	Very high	140 Å²	140	46.9 Å²	46.9	65%	0.654	25%	0.249	S	C	*	.	H	α-helix	trans	-61.3	-51.8	177.3	-71.9	172.8	17.1	0	0	111.4	E342 E343 L348 H349 E350	E342-Q346 WeakPolarHBondContact O-CG 3.48Å; E342-Q346 PolarHBondContact O-N 2.71Å; E343-Q346 PolarHBondContact O-N 3.14Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 2.81Å; Q346-H349 PolarHBondContact O-N 3.43Å; Q346-E350 PolarHBondContact O-N 2.87Å
347	E	93.1	Very high	94.1	Very high	44 Å²	44	51.5 Å²	51.5	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-30.2	-179.5	-64.7	-163	179	0	0	113.6	K291 N295 E343 Y351	K291-E347 WeakPolarHBondContact CE-OE1 3.39Å; K291-E347 IonicContact NZ-OE1 2.7Å; K291-E347 PolarHBondContact NZ-OE1 2.99Å; N295-E347 WeakPolarHBondContact ND2-CB 3.42Å; N295-E347 PolarHBondContact ND2-OE2 3.07Å; E343-E347 PolarHBondContact O-N 3.12Å; E343-E347 VanDerWaalsContact O-N 3.09Å; E347-Y351 WeakPolarHBondContact O-CD2 3.22Å; E347-Y351 WeakPolarHBondContact O-CE2 3.33Å
348	L	94.3	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.6	-39.6	176.5	179.2	56.2	0	0	0	111.5	M298 V299 V302 A321 L325 M344 Q345 Q346 E350 Y351	M298-L348 HydrophobicContact CB-CD1 4.37Å; M298-L348 HydrophobicContact CB-CD2 4.42Å; M298-L348 HydrophobicContact CE-CD2 4.02Å; V299-L348 HydrophobicContact CB-CD1 4.4Å; V299-L348 HydrophobicContact CG2-CD1 3.75Å; V302-L348 HydrophobicContact CG2-CD1 4.39Å; A321-L348 HydrophobicContact CB-CD2 3.72Å; A321-L348 HydrophobicContact CB-CG 4Å; L325-L348 HydrophobicContact CD1-CD2 4.18Å; L325-L348 HydrophobicContact CG-CD2 4.06Å; M344-L348 VanDerWaalsContact O-CB 3.24Å; M344-L348 WeakPolarHBondContact O-CB 3.41Å; M344-L348 PolarHBondContact O-N 2.98Å; Q345-L348 PolarHBondContact O-N 3.32Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 2.81Å; L348-E350 VanDerWaalsContact C-N 3.27Å; L348-E350 PolarHBondContact O-N 2.73Å; L348-Y351 PolarHBondContact O-N 3.1Å
349	H	94.5	Very high	94.3	Very high	61 Å²	61	47 Å²	47	28%	0.282	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-25.1	179.7	-82.3	76.1	0	0	0	113.4	D322 Q345 Q346 Y351 L352	D322-H349 IonicContact OD1-CE1 2.55Å; Q345-H349 WeakPolarHBondContact O-CB 3.25Å; Q345-H349 PolarHBondContact O-N 3.41Å; Q345-H349 PolarHBondContact O-ND1 3.01Å; Q346-H349 PolarHBondContact O-N 3.43Å; H349-Y351 PolarHBondContact O-N 2.72Å; H349-L352 PolarHBondContact O-N 3.17Å
350	E	94.7	Very high	94.2	Very high	113 Å²	113	50.2 Å²	50.2	53%	0.528	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.1	173.1	-70.2	-170.8	174.4	0	0	113.9	Q346 L348 K472	Q346-E350 PolarHBondContact O-N 2.87Å; L348-E350 VanDerWaalsContact C-N 3.27Å; L348-E350 PolarHBondContact O-N 2.73Å; E350-K472 IonicContact OE2-NZ 2.72Å; E350-K472 PolarHBondContact OE2-NZ 3.16Å
351	Y	96.3	Very high	94.1	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.047	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-29	-175.8	-72.2	-106.8	0	0	0	113.2	V299 E347 L348 H349 S354 L355 T437 G438 L471 K472	V299-Y351 HydrophobicContact CB-CD1 4.47Å; V299-Y351 HydrophobicContact CG1-CD1 3.71Å; V299-Y351 HydrophobicContact CG1-CE1 4.4Å; V299-Y351 HydrophobicContact CG1-CG 3.91Å; V299-Y351 HydrophobicContact CG2-CD1 3.99Å; V299-Y351 HydrophobicContact CG2-CD2 3.89Å; V299-Y351 HydrophobicContact CG2-CE1 4.18Å; V299-Y351 HydrophobicContact CG2-CE2 4.1Å; V299-Y351 HydrophobicContact CG2-CG 3.85Å; E347-Y351 WeakPolarHBondContact O-CD2 3.22Å; E347-Y351 WeakPolarHBondContact O-CE2 3.33Å; L348-Y351 PolarHBondContact O-N 3.1Å; H349-Y351 PolarHBondContact O-N 2.72Å; Y351-S354 WeakPolarHBondContact O-CB 3.17Å; Y351-S354 PolarHBondContact O-N 3.18Å; Y351-L355 WeakPolarHBondContact O-CG 3.12Å; Y351-L355 PolarHBondContact O-N 2.95Å; Y351-T437 HydrophobicContact CE1-CG2 4.18Å; Y351-G438 PolarHBondContact OH-N 3.48Å; Y351-L471 HydrophobicContact CD1-CB 4.02Å; Y351-L471 HydrophobicContact CE1-CB 4.36Å; Y351-K472 HydrophobicContact CD1-CB 3.99Å; Y351-K472 HydrophobicContact CE1-CB 3.55Å; Y351-K472 HydrophobicContact CE1-CD 4.27Å; Y351-K472 HydrophobicContact CE1-CG 4.18Å; Y351-K472 HydrophobicContact CE2-CD 4.38Å
352	L	96.3	Very high	93.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-41.3	-166.8	-46.2	179.5	0	0	0	113.8	V302 L314 L317 A321 H349 S354 L355 E356	V302-L352 HydrophobicContact CG1-CD2 4.13Å; L314-L352 HydrophobicContact CD2-CB 3.92Å; L317-L352 HydrophobicContact CB-CB 4.25Å; L317-L352 HydrophobicContact CB-CD2 4.24Å; L317-L352 HydrophobicContact CD1-CB 4.47Å; L317-L352 WeakPolarHBondContact CD1-O 3.46Å; A321-L352 HydrophobicContact CB-CD1 4.16Å; A321-L352 HydrophobicContact CB-CD2 4.29Å; H349-L352 PolarHBondContact O-N 3.17Å; L352-S354 VanDerWaalsContact C-N 3.3Å; L352-S354 PolarHBondContact O-N 2.96Å; L352-L355 PolarHBondContact O-N 2.91Å; L352-L355 VanDerWaalsContact O-N 3.16Å; L352-E356 PolarHBondContact O-N 2.77Å
353	P	96.4	Very high	93.6	Very high	70 Å²	70	46.7 Å²	46.7	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-34.4	175.7	-22.6	34.7	0	0	0	113.2	L314 L355 H357	L314-P353 HydrophobicContact CD2-CG 4.39Å; P353-L355 VanDerWaalsContact C-N 3.35Å; P353-H357 VanDerWaalsContact O-CB 3.25Å; P353-H357 WeakPolarHBondContact O-CB 3.4Å; P353-H357 PolarHBondContact O-N 2.67Å
354	S	95.6	Very high	93	Very high	26 Å²	26	47.3 Å²	47.3	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-31.2	176.3	-60	0	0	0	0	112.4	Y351 L352 W358 L471 K472	Y351-S354 WeakPolarHBondContact O-CB 3.17Å; Y351-S354 PolarHBondContact O-N 3.18Å; L352-S354 VanDerWaalsContact C-N 3.3Å; L352-S354 PolarHBondContact O-N 2.96Å; S354-W358 WeakPolarHBondContact O-CB 3.17Å; S354-W358 PolarHBondContact O-N 3.03Å; S354-L471 WeakPolarHBondContact CB-O 3.04Å; S354-K472 PolarHBondContact OG-O 2.93Å
355	L	96	Very high	92.2	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-71.8	-45.6	175.4	-54.3	-167.6	0	0	0	111.7	V299 F303 L317 Y351 L352 P353 W358 A359 L471	V299-L355 HydrophobicContact CG1-CD1 4.38Å; F303-L355 HydrophobicContact CB-CD1 4.42Å; F303-L355 HydrophobicContact CD2-CD1 4.31Å; F303-L355 HydrophobicContact CD2-CD2 4.03Å; L317-L355 HydrophobicContact CD1-CB 3.9Å; L317-L355 HydrophobicContact CD2-CB 4.39Å; L317-L355 HydrophobicContact CD2-CD1 4.23Å; Y351-L355 WeakPolarHBondContact O-CG 3.12Å; Y351-L355 PolarHBondContact O-N 2.95Å; L352-L355 PolarHBondContact O-N 2.91Å; L352-L355 VanDerWaalsContact O-N 3.16Å; P353-L355 VanDerWaalsContact C-N 3.35Å; L355-W358 PolarHBondContact O-N 2.95Å; L355-A359 WeakPolarHBondContact O-CB 3.46Å; L355-A359 PolarHBondContact O-N 3.03Å; L355-L471 HydrophobicContact CD2-CB 4.03Å; L355-L471 HydrophobicContact CD2-CD2 3.78Å; L355-L471 HydrophobicContact CD2-CG 4.44Å
356	E	96	Very high	90.9	Very high	52 Å²	52	52.2 Å²	52.2	24%	0.243	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-44.4	174.7	-179.2	179.4	-108.1	0	0	111.1	F312 S313 L314 L317 L352 A359 N360	F312-E356 WeakPolarHBondContact O-CB 3.49Å; S313-E356 WeakPolarHBondContact CA-OE1 3.47Å; L314-E356 VanDerWaalsContact CD1-OE2 3.27Å; L314-E356 WeakPolarHBondContact CD1-OE2 3.46Å; L314-E356 HydrophobicContact CG-CB 4.39Å; L314-E356 WeakPolarHBondContact CG-OE2 3.45Å; L314-E356 PolarHBondContact N-OE1 1.9Å; L317-E356 HydrophobicContact CD1-CB 4.05Å; L352-E356 PolarHBondContact O-N 2.77Å; E356-A359 PolarHBondContact O-N 3.24Å; E356-N360 WeakPolarHBondContact CG-ND2 3.25Å; E356-N360 WeakPolarHBondContact O-CB 3.49Å; E356-N360 PolarHBondContact O-N 2.96Å; E356-N360 PolarHBondContact O-ND2 2.27Å
357	H	93.3	Very high	90	Very high	112 Å²	112	49.2 Å²	49.2	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-47	178	-175.7	65	0	0	0	112	P353 A359 N360 E361	P353-H357 VanDerWaalsContact O-CB 3.25Å; P353-H357 WeakPolarHBondContact O-CB 3.4Å; P353-H357 PolarHBondContact O-N 2.67Å; H357-A359 PolarHBondContact O-N 2.58Å; H357-N360 PolarHBondContact O-N 2.73Å; H357-E361 WeakPolarHBondContact O-CB 3.13Å; H357-E361 PolarHBondContact O-N 3.16Å
358	W	94.7	Very high	89.4	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.1	170.7	83.5	0	0	0	112.3	F303 F312 S354 L355 E361 Y362 L363 L386 L389 L469 G474 M476	F303-W358 HydrophobicContact CE2-CD2 4.44Å; F303-W358 AromaticContact CE2-CE3 3.73Å; F303-W358 HydrophobicContact CE2-CE3 3.73Å; F303-W358 HydrophobicContact CE2-CH2 4.17Å; F303-W358 AromaticContact CE2-CZ3 3.58Å; F303-W358 HydrophobicContact CE2-CZ3 3.58Å; F303-W358 HydrophobicContact CZ-CE3 4.03Å; F303-W358 AromaticContact CZ-CH2 3.59Å; F303-W358 HydrophobicContact CZ-CH2 3.59Å; F303-W358 HydrophobicContact CZ-CZ2 4.3Å; F303-W358 AromaticContact CZ-CZ3 3.42Å; F303-W358 HydrophobicContact CZ-CZ3 3.42Å; F303-W358 VanDerWaalsContact CZ-CZ3 3.42Å; F312-W358 HydrophobicContact CE1-CZ3 4.19Å; F312-W358 HydrophobicContact CZ-CZ3 4Å; S354-W358 WeakPolarHBondContact O-CB 3.17Å; S354-W358 PolarHBondContact O-N 3.03Å; L355-W358 PolarHBondContact O-N 2.95Å; W358-E361 PolarHBondContact O-N 2.8Å; W358-Y362 AromaticContact CD1-CD2 3.33Å; W358-Y362 AromaticContact CD1-CE2 3.8Å; W358-Y362 HydrophobicContact CG-CD2 4.14Å; W358-Y362 AromaticContact NE1-CD2 3.55Å; W358-Y362 AromaticContact NE1-CG 4Å; W358-Y362 PolarHBondContact O-N 3.47Å; W358-L363 HydrophobicContact CH2-CD1 3.59Å; W358-L363 HydrophobicContact CH2-CG 4.13Å; W358-L363 HydrophobicContact CZ3-CD1 3.57Å; W358-L363 HydrophobicContact CZ3-CG 4.38Å; W358-L386 HydrophobicContact CH2-CD2 4.1Å; W358-L386 HydrophobicContact CZ2-CD2 3.73Å; W358-L389 HydrophobicContact CH2-CD1 4.3Å; W358-L389 HydrophobicContact CH2-CD2 4.48Å; W358-L469 VanDerWaalsContact CD1-CD1 3.5Å; W358-L469 HydrophobicContact CD2-CD2 3.86Å; W358-L469 HydrophobicContact CE3-CD2 4.41Å; W358-L469 HydrophobicContact CG-CD1 4.07Å; W358-L469 HydrophobicContact CG-CD2 4.21Å; W358-L469 HydrophobicContact CZ2-CD2 3.96Å; W358-G474 VanDerWaalsContact CD1-O 3.29Å; W358-M476 HydrophobicContact CZ2-SD 4.38Å
359	A	92.4	Very high	88.8	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-42.1	-179.5	0	0	0	0	0	111.7	F312 L355 E356 H357 E361 L363 C364	F312-A359 HydrophobicContact CB-CB 3.36Å; F312-A359 HydrophobicContact CD1-CB 3.97Å; F312-A359 HydrophobicContact CD2-CB 3.78Å; F312-A359 HydrophobicContact CG-CB 3.45Å; F312-A359 VanDerWaalsContact CG-CB 3.45Å; L355-A359 WeakPolarHBondContact O-CB 3.46Å; L355-A359 PolarHBondContact O-N 3.03Å; E356-A359 PolarHBondContact O-N 3.24Å; H357-A359 PolarHBondContact O-N 2.58Å; A359-E361 VanDerWaalsContact C-N 3.33Å; A359-E361 PolarHBondContact O-N 3.27Å; A359-L363 WeakPolarHBondContact O-CA 3.28Å; A359-L363 WeakPolarHBondContact O-CB 3.28Å; A359-L363 PolarHBondContact O-N 3.45Å; A359-C364 PolarHBondContact O-N 2.86Å
360	N	90.8	Very high	88	Confident	85 Å²	85	53.1 Å²	53.1	46%	0.455	31%	0.307	S	S	.	.	I	π-helix	trans	-61.4	-40.9	173.1	-78.1	-54.2	0	0	0	112.3	E356 H357 S365	E356-N360 WeakPolarHBondContact CG-ND2 3.25Å; E356-N360 WeakPolarHBondContact O-CB 3.49Å; E356-N360 PolarHBondContact O-N 2.96Å; E356-N360 PolarHBondContact O-ND2 2.27Å; H357-N360 PolarHBondContact O-N 2.73Å; N360-S365 VanDerWaalsContact O-CB 3.25Å; N360-S365 WeakPolarHBondContact O-CB 3.45Å; N360-S365 PolarHBondContact O-N 3.42Å; N360-S365 VanDerWaalsContact O-N 3.17Å
361	E	90.1	Very high	87.3	Confident	55 Å²	55	48 Å²	48	26%	0.257	28%	0.283	S	S	.	.	I	π-helix	trans	-74.9	-36.2	-176.7	-163.7	179.9	-139	0	0	113.7	H357 W358 A359 K369	H357-E361 WeakPolarHBondContact O-CB 3.13Å; H357-E361 PolarHBondContact O-N 3.16Å; W358-E361 PolarHBondContact O-N 2.8Å; A359-E361 VanDerWaalsContact C-N 3.33Å; A359-E361 PolarHBondContact O-N 3.27Å; E361-K369 HydrophobicContact CG-CB 3.85Å; E361-K369 HydrophobicContact CG-CD 3.51Å; E361-K369 HydrophobicContact CG-CG 4.39Å; E361-K369 WeakPolarHBondContact O-CB 3.41Å; E361-K369 PolarHBondContact O-N 3.03Å; E361-K369 WeakPolarHBondContact OE1-CD 3.34Å; E361-K369 WeakPolarHBondContact OE1-CE 3.28Å; E361-K369 IonicContact OE1-NZ 2.66Å; E361-K369 PolarHBondContact OE1-NZ 3.09Å; E361-K369 VanDerWaalsContact OE2-CD 3.29Å; E361-K369 WeakPolarHBondContact OE2-CD 3.5Å; E361-K369 IonicContact OE2-NZ 3.76Å; E361-K369 PolarHBondContact OE2-NZ 2.91Å
362	Y	88.8	Confident	85.8	Confident	12 Å²	12	51.8 Å²	51.8	5%	0.047	31%	0.311	C	S	.	.	I	π-helix	trans	-116.3	-15.3	-170.8	-69.8	-79.9	0	0	0	116.4	W358 K369 I371 M476	W358-Y362 AromaticContact CD1-CD2 3.33Å; W358-Y362 AromaticContact CD1-CE2 3.8Å; W358-Y362 HydrophobicContact CG-CD2 4.14Å; W358-Y362 AromaticContact NE1-CD2 3.55Å; W358-Y362 AromaticContact NE1-CG 4Å; W358-Y362 PolarHBondContact O-N 3.47Å; Y362-K369 HydrophobicContact CD1-CB 3.95Å; Y362-K369 HydrophobicContact CD1-CG 4.47Å; Y362-K369 HydrophobicContact CE1-CB 3.79Å; Y362-K369 HydrophobicContact CE1-CD 3.92Å; Y362-K369 HydrophobicContact CE1-CG 3.8Å; Y362-K369 HydrophobicContact CE2-CD 4.18Å; Y362-K369 VanDerWaalsContact OH-CE 3.27Å; Y362-K369 WeakPolarHBondContact OH-CE 3.21Å; Y362-K369 PolarHBondContact OH-NZ 3.1Å; Y362-I371 HydrophobicContact CD1-CG1 4.16Å; Y362-I371 HydrophobicContact CE1-CG1 3.84Å; Y362-M476 HydrophobicContact CD1-CE 3.28Å; Y362-M476 HydrophobicContact CD2-CE 3.95Å; Y362-M476 HydrophobicContact CE1-CE 3.55Å; Y362-M476 HydrophobicContact CE2-CB 4.45Å; Y362-M476 HydrophobicContact CE2-CE 4.17Å; Y362-M476 HydrophobicContact CG-CE 3.48Å; Y362-M476 VanDerWaalsContact CG-CE 3.48Å
363	L	86	Confident	84.1	Confident	44 Å²	44	52.4 Å²	52.4	23%	0.23	32%	0.316	C	S	.	.	I	π-helix	trans	-120.1	-50.2	179.7	-73.8	171.5	0	0	0	113.4	F312 W358 A359 L386 L389	F312-L363 HydrophobicContact CE2-CD1 4.03Å; W358-L363 HydrophobicContact CH2-CD1 3.59Å; W358-L363 HydrophobicContact CH2-CG 4.13Å; W358-L363 HydrophobicContact CZ3-CD1 3.57Å; W358-L363 HydrophobicContact CZ3-CG 4.38Å; A359-L363 WeakPolarHBondContact O-CA 3.28Å; A359-L363 WeakPolarHBondContact O-CB 3.28Å; A359-L363 PolarHBondContact O-N 3.45Å; L363-L386 HydrophobicContact CD2-CD2 3.52Å; L363-L386 HydrophobicContact CD2-CG 3.72Å; L363-L386 HydrophobicContact CG-CD2 3.82Å; L363-L389 HydrophobicContact CD1-CD1 4.08Å; L363-L389 HydrophobicContact CD1-CG 4.3Å; L363-L389 HydrophobicContact CD2-CG 4.43Å
364	C	81.8	Confident	82	Confident	82 Å²	82	58.5 Å²	58.5	55%	0.554	34%	0.335	S	S	*	.	I	π-helix	trans	-93.2	-16.5	-166.4	-57.1	0	0	0	0	114.3	A359	A359-C364 PolarHBondContact O-N 2.86Å
365	S	76.7	Confident	80	Confident	40 Å²	40	60.2 Å²	60.2	28%	0.28	34%	0.341	S	S	.	.	S	Bend	trans	-62.7	139.1	175.8	172.6	0	0	0	0	111.9	N360 A367 P368	N360-S365 VanDerWaalsContact O-CB 3.25Å; N360-S365 WeakPolarHBondContact O-CB 3.45Å; N360-S365 PolarHBondContact O-N 3.42Å; N360-S365 VanDerWaalsContact O-N 3.17Å; S365-A367 PolarHBondContact O-N 3.16Å; S365-A367 VanDerWaalsContact O-N 3.14Å; S365-A367 PolarHBondContact OG-N 3.01Å; S365-A367 PolarHBondContact OG-O 3.22Å; S365-P368 VanDerWaalsContact O-CD 3.31Å; S365-P368 WeakPolarHBondContact O-CD 3.33Å; S365-P368 WeakPolarHBondContact O-CG 3.42Å
366	P	68.2	Low	77.6	Confident	142 Å²	142	72 Å²	72	92%	0.922	39%	0.386	S	S	*	.	S	Bend	trans	-64.5	-13.9	170.9	28.7	-35.7	0	0	0	113.2
367	A	74.3	Confident	75	Confident	77 Å²	77	74.1 Å²	74.1	64%	0.636	41%	0.405	S	S	*	.	S	Bend	trans	-133.2	86.2	166.7	0	0	0	0	0	108.8	S365	S365-A367 PolarHBondContact O-N 3.16Å; S365-A367 VanDerWaalsContact O-N 3.14Å; S365-A367 PolarHBondContact OG-N 3.01Å; S365-A367 PolarHBondContact OG-O 3.22Å
368	P	79.1	Confident	72.7	Confident	35 Å²	35	78.8 Å²	78.8	23%	0.227	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-64.2	144.5	-177	-17.2	28.6	0	0	0	111.9	S365 T385	S365-P368 VanDerWaalsContact O-CD 3.31Å; S365-P368 WeakPolarHBondContact O-CD 3.33Å; S365-P368 WeakPolarHBondContact O-CG 3.42Å; P368-T385 HydrophobicContact CB-CG2 3.83Å; P368-T385 HydrophobicContact CG-CG2 4.04Å
369	K	82.1	Confident	70.7	Confident	73 Å²	73	81.4 Å²	81.4	32%	0.317	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-59.4	127.1	-173.6	175.5	170.9	171.2	-174.5	0	112.1	E361 Y362 I371	E361-K369 HydrophobicContact CG-CB 3.85Å; E361-K369 HydrophobicContact CG-CD 3.51Å; E361-K369 HydrophobicContact CG-CG 4.39Å; E361-K369 WeakPolarHBondContact O-CB 3.41Å; E361-K369 PolarHBondContact O-N 3.03Å; E361-K369 WeakPolarHBondContact OE1-CD 3.34Å; E361-K369 WeakPolarHBondContact OE1-CE 3.28Å; E361-K369 IonicContact OE1-NZ 2.66Å; E361-K369 PolarHBondContact OE1-NZ 3.09Å; E361-K369 VanDerWaalsContact OE2-CD 3.29Å; E361-K369 WeakPolarHBondContact OE2-CD 3.5Å; E361-K369 IonicContact OE2-NZ 3.76Å; E361-K369 PolarHBondContact OE2-NZ 2.91Å; Y362-K369 HydrophobicContact CD1-CB 3.95Å; Y362-K369 HydrophobicContact CD1-CG 4.47Å; Y362-K369 HydrophobicContact CE1-CB 3.79Å; Y362-K369 HydrophobicContact CE1-CD 3.92Å; Y362-K369 HydrophobicContact CE1-CG 3.8Å; Y362-K369 HydrophobicContact CE2-CD 4.18Å; Y362-K369 VanDerWaalsContact OH-CE 3.27Å; Y362-K369 WeakPolarHBondContact OH-CE 3.21Å; Y362-K369 PolarHBondContact OH-NZ 3.1Å; K369-I371 PolarHBondContact O-N 2.97Å
370	P	78.4	Confident	69.1	Low	79 Å²	79	84.4 Å²	84.4	51%	0.513	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-68.5	119.9	179.6	26.8	-33.9	0	0	0	111.1	S372 V383	P370-S372 PolarHBondContact O-N 2.66Å; P370-S372 VanDerWaalsContact O-N 3.16Å; P370-V383 HydrophobicContact CB-CG1 3.49Å; P370-V383 VanDerWaalsContact CB-CG1 3.49Å
371	I	79	Confident	67.8	Low	6 Å²	6	85.4 Å²	85.4	3%	0.031	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	100.3	170.6	-50.3	165.2	0	0	0	106.8	Y362 K369 F384 L467 M476 P478	Y362-I371 HydrophobicContact CD1-CG1 4.16Å; Y362-I371 HydrophobicContact CE1-CG1 3.84Å; K369-I371 PolarHBondContact O-N 2.97Å; I371-F384 HydrophobicContact CB-CB 4.07Å; I371-F384 PolarHBondContact N-O 2.98Å; I371-F384 PolarHBondContact O-N 3.2Å; I371-L467 HydrophobicContact CD1-CD1 4.3Å; I371-L467 HydrophobicContact CD1-CD2 4.05Å; I371-L467 HydrophobicContact CG2-CD2 4.35Å; I371-M476 HydrophobicContact CD1-CE 3.56Å; I371-M476 HydrophobicContact CD1-SD 4.34Å; I371-M476 HydrophobicContact CG1-CE 4.01Å; I371-P478 HydrophobicContact CG2-CB 3.91Å; I371-P478 HydrophobicContact CG2-CG 3.94Å
372	S	66.6	Low	66.8	Low	90 Å²	90	83 Å²	83	63%	0.629	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.5	-179.6	-171.6	0	0	0	0	110.8	P370	P370-S372 PolarHBondContact O-N 2.66Å; P370-S372 VanDerWaalsContact O-N 3.16Å
373	S	58.9	Low	66.4	Low	15 Å²	15	85.1 Å²	85.1	11%	0.105	48%	0.484	C	S	.	.			trans	-101.3	116.9	174.1	-170.6	0	0	0	0	110.6	I375	S373-I375 PolarHBondContact O-N 3.25Å; S373-I375 WeakPolarHBondContact OG-CG1 3.37Å
374	K	54	Low	66.2	Low	199 Å²	199	83.1 Å²	83.1	87%	0.865	47%	0.473	S	S	*	.			trans	-77.3	68.3	166.9	-69.4	-175.4	179.1	179.5	0	109.6	R376	K374-R376 PolarHBondContact O-N 2.79Å
375	I	52.5	Low	66.4	Low	61 Å²	61	80.2 Å²	80.2	31%	0.313	45%	0.453	S	S	.	.			trans	-57	120.2	177.2	-58.2	176.9	0	0	0	108.2	S373 C377 F384	S373-I375 PolarHBondContact O-N 3.25Å; S373-I375 WeakPolarHBondContact OG-CG1 3.37Å; I375-C377 PolarHBondContact O-N 3.2Å; I375-F384 HydrophobicContact CD1-CE2 4.33Å; I375-F384 HydrophobicContact CD1-CZ 4.27Å
376	R	46.2	Very low	67	Low	251 Å²	251	78.6 Å²	78.6	95%	0.947	44%	0.441	S	S	*	.	S	Bend	trans	-75.7	-0.4	-169.9	-97.2	-175	170.4	-174.1	-3.3	115.3	K374	K374-R376 PolarHBondContact O-N 2.79Å
377	C	42.2	Very low	67.9	Low	96 Å²	96	74 Å²	74	65%	0.649	41%	0.411	S	S	*	.	S	Bend	trans	-130	105.8	-173.5	-59.4	0	0	0	0	111.1	I375 A379	I375-C377 PolarHBondContact O-N 3.2Å; C377-A379 PolarHBondContact O-N 3.33Å
378	Q	44.5	Very low	68.7	Low	210 Å²	210	73.3 Å²	73.3	98%	0.981	39%	0.394	S	S	*	.	S	Bend	trans	44.5	-11.5	155.8	-62.4	-174.3	-1.6	0	0	122.2
379	A	53.3	Low	69.2	Low	56 Å²	56	72.8 Å²	72.8	46%	0.463	39%	0.389	S	S	.	.	S	Bend	trans	-75.8	150.5	177.3	0	0	0	0	0	111.7	C377	C377-A379 PolarHBondContact O-N 3.33Å
380	P	57.9	Low	69.5	Low	64 Å²	64	70.8 Å²	70.8	42%	0.416	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.4	149.5	171.3	27.5	-34.9	0	0	0	110.8	A382 S418	P380-A382 PolarHBondContact O-N 2.97Å; P380-S418 WeakPolarHBondContact CB-O 3.41Å
381	P	62.9	Low	69.9	Low	107 Å²	107	68.1 Å²	68.1	70%	0.695	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-58.4	116.8	-179.7	23.9	-33.5	0	0	0	110.6
382	A	69.8	Low	70.3	Confident	5 Å²	5	69.5 Å²	69.5	4%	0.041	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.7	179	0	0	0	0	0	110.2	P380 F384 I415 Q416 R417	P380-A382 PolarHBondContact O-N 2.97Å; A382-F384 HydrophobicContact CB-CD2 4.38Å; A382-F384 HydrophobicContact CB-CE2 3.65Å; A382-F384 HydrophobicContact CB-CZ 3.97Å; A382-F384 WeakPolarHBondContact O-CD2 3.28Å; A382-I415 HydrophobicContact CB-CG2 4.05Å; A382-Q416 WeakPolarHBondContact CA-O 3.45Å; A382-R417 HydrophobicContact CB-CG 4.15Å
383	V	79.6	Confident	71.2	Confident	56 Å²	56	69.1 Å²	69.1	34%	0.339	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.4	173.1	171.8	0	0	0	0	108.3	P370 Q416	P370-V383 HydrophobicContact CB-CG1 3.49Å; P370-V383 VanDerWaalsContact CB-CG1 3.49Å; V383-Q416 HydrophobicContact CB-CB 4.48Å; V383-Q416 PolarHBondContact N-O 2.82Å; V383-Q416 PolarHBondContact O-N 3.4Å
384	F	82.4	Confident	72.6	Confident	1 Å²	1	68.5 Å²	68.5	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.2	-179.8	-63.2	-98.7	0	0	0	109.3	I371 I375 A382 V413 R414 I415 I465	I371-F384 HydrophobicContact CB-CB 4.07Å; I371-F384 PolarHBondContact N-O 2.98Å; I371-F384 PolarHBondContact O-N 3.2Å; I375-F384 HydrophobicContact CD1-CE2 4.33Å; I375-F384 HydrophobicContact CD1-CZ 4.27Å; A382-F384 HydrophobicContact CB-CD2 4.38Å; A382-F384 HydrophobicContact CB-CE2 3.65Å; A382-F384 HydrophobicContact CB-CZ 3.97Å; A382-F384 WeakPolarHBondContact O-CD2 3.28Å; F384-V413 HydrophobicContact CB-CG1 3.74Å; F384-V413 HydrophobicContact CD1-CG1 4.05Å; F384-V413 HydrophobicContact CG-CG1 4.41Å; F384-R414 CarbonylContact C-O 3.59Å; F384-R414 WeakPolarHBondContact CA-O 3.27Å; F384-I415 HydrophobicContact CD1-CB 4.47Å; F384-I415 HydrophobicContact CD1-CD1 4.21Å; F384-I415 HydrophobicContact CD1-CG1 3.78Å; F384-I415 HydrophobicContact CD1-CG2 4.25Å; F384-I415 HydrophobicContact CE1-CB 4.46Å; F384-I415 HydrophobicContact CE1-CD1 3.76Å; F384-I415 HydrophobicContact CE1-CG1 3.81Å; F384-I415 HydrophobicContact CE1-CG2 3.93Å; F384-I415 HydrophobicContact CZ-CG2 4.24Å; F384-I465 HydrophobicContact CB-CD1 4.46Å; F384-I465 HydrophobicContact CD1-CD1 3.49Å; F384-I465 VanDerWaalsContact CD1-CD1 3.49Å; F384-I465 HydrophobicContact CD1-CG1 4.2Å; F384-I465 HydrophobicContact CD2-CD1 4.41Å; F384-I465 HydrophobicContact CE1-CD1 3.7Å; F384-I465 HydrophobicContact CE1-CG1 4.01Å; F384-I465 HydrophobicContact CE1-CG2 4.2Å; F384-I465 HydrophobicContact CG-CD1 3.89Å; F384-I465 HydrophobicContact CZ-CD1 4.26Å; F384-I465 HydrophobicContact CZ-CG2 4.06Å
385	T	86.9	Confident	74.1	Confident	22 Å²	22	60.6 Å²	60.6	14%	0.135	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.3	179.6	-48.3	0	0	0	0	108.6	P368 T387 V413 R414	P368-T385 HydrophobicContact CB-CG2 3.83Å; P368-T385 HydrophobicContact CG-CG2 4.04Å; T385-T387 PolarHBondContact O-N 3.42Å; T385-V413 CarbonylContact O-C 3.56Å; T385-V413 WeakPolarHBondContact O-CA 3.03Å; T385-R414 PolarHBondContact N-O 2.71Å; T385-R414 PolarHBondContact O-N 2.95Å
386	L	88.5	Confident	75.8	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.8	176.7	-175.3	65.1	0	0	0	109.4	W358 L363 L389 A411 V413 M476	W358-L386 HydrophobicContact CH2-CD2 4.1Å; W358-L386 HydrophobicContact CZ2-CD2 3.73Å; L363-L386 HydrophobicContact CD2-CD2 3.52Å; L363-L386 HydrophobicContact CD2-CG 3.72Å; L363-L386 HydrophobicContact CG-CD2 3.82Å; L386-L389 HydrophobicContact CD1-CD2 4.22Å; L386-L389 HydrophobicContact CD2-CD2 4.4Å; L386-A411 HydrophobicContact CD1-CB 3.77Å; L386-V413 HydrophobicContact CD1-CG2 4.29Å; L386-M476 HydrophobicContact CD2-CE 4.49Å
387	T	87.4	Confident	77.9	Confident	47 Å²	47	47.3 Å²	47.3	29%	0.288	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-42.1	-178.8	49.2	0	0	0	0	113.4	T385 K412 R414 E428	T385-T387 PolarHBondContact O-N 3.42Å; T387-K412 PolarHBondContact N-O 2.68Å; T387-K412 WeakPolarHBondContact OG1-CB 3.44Å; T387-K412 PolarHBondContact OG1-O 3.33Å; T387-R414 HydrophobicContact CG2-CB 3.68Å; T387-E428 WeakPolarHBondContact CB-OE1 3.27Å; T387-E428 PolarHBondContact OG1-OE1 3.39Å
388	E	89.6	Confident	80.3	Confident	61 Å²	61	42.8 Å²	42.8	29%	0.285	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.5	170.8	61.2	172.8	-174.4	0	0	112.8	A411 K412	E388-A411 WeakPolarHBondContact O-CA 3.45Å; E388-K412 HydrophobicContact CG-CB 3.92Å; E388-K412 HydrophobicContact CG-CD 3.98Å; E388-K412 HydrophobicContact CG-CG 4.06Å; E388-K412 PolarHBondContact O-N 2.72Å; E388-K412 WeakPolarHBondContact OE1-CD 3.42Å; E388-K412 WeakPolarHBondContact OE1-CE 3.39Å; E388-K412 IonicContact OE1-NZ 2.74Å; E388-K412 PolarHBondContact OE1-NZ 2.79Å
389	L	91.6	Very high	82.5	Confident	24 Å²	24	32.8 Å²	32.8	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.1	163.6	-50.9	-177.3	0	0	0	106.6	F303 A307 F312 W358 L363 L386 V409 A411 L433	F303-L389 HydrophobicContact CE1-CD1 4.4Å; A307-L389 HydrophobicContact CB-CD1 3.5Å; F312-L389 HydrophobicContact CZ-CD1 4.32Å; W358-L389 HydrophobicContact CH2-CD1 4.3Å; W358-L389 HydrophobicContact CH2-CD2 4.48Å; L363-L389 HydrophobicContact CD1-CD1 4.08Å; L363-L389 HydrophobicContact CD1-CG 4.3Å; L363-L389 HydrophobicContact CD2-CG 4.43Å; L386-L389 HydrophobicContact CD1-CD2 4.22Å; L386-L389 HydrophobicContact CD2-CD2 4.4Å; L389-V409 HydrophobicContact CB-CG1 4.11Å; L389-V409 HydrophobicContact CD1-CG1 4.4Å; L389-V409 HydrophobicContact CD2-CG1 3.96Å; L389-V409 HydrophobicContact CG-CG1 4.36Å; L389-A411 HydrophobicContact CD2-CB 4.1Å; L389-L433 HydrophobicContact CD2-CD2 4.34Å
390	A	87.3	Confident	84.3	Confident	32 Å²	32	32.1 Å²	32.1	26%	0.264	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-37.1	-166.7	0	0	0	0	0	112.9	T410 K412 K689	A390-T410 PolarHBondContact N-O 3.06Å; A390-K412 HydrophobicContact CB-CG 4.27Å; A390-K689 PolarHBondContact O-NZ 3.31Å
391	D	87.2	Confident	86	Confident	23 Å²	23	29.2 Å²	29.2	12%	0.123	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	166.7	171.4	-148.9	18	0	0	0	112.5	T410 R685 K689	D391-T410 PolarHBondContact N-O 3.19Å; D391-T410 VanDerWaalsContact N-O 3.08Å; D391-T410 PolarHBondContact O-N 2.83Å; D391-R685 IonicContact OD2-CZ 3.18Å; D391-R685 IonicContact OD2-NE 2.73Å; D391-R685 IonicContact OD2-NH2 2.69Å; D391-R685 PolarHBondContact OD2-NH2 3.18Å; D391-K689 IonicContact OD1-NZ 3.63Å; D391-K689 PolarHBondContact OD1-NZ 2.97Å
392	I	87.5	Confident	87.5	Confident	34 Å²	34	24.1 Å²	24.1	17%	0.174	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.3	-173.3	-73	172.2	0	0	0	108.2	Q304 A307 S308 E394 V409	Q304-I392 HydrophobicContact CB-CD1 4.41Å; Q304-I392 HydrophobicContact CB-CG2 3.87Å; Q304-I392 HydrophobicContact CG-CG2 3.66Å; Q304-I392 VanDerWaalsContact O-CD1 3.29Å; Q304-I392 WeakPolarHBondContact O-CD1 3.37Å; A307-I392 HydrophobicContact CB-CD1 3.76Å; S308-I392 WeakPolarHBondContact OG-CD1 3.18Å; I392-E394 PolarHBondContact O-N 2.68Å; I392-V409 HydrophobicContact CG1-CG1 4.49Å
393	E	85.9	Confident	88.7	Confident	83 Å²	83	23.9 Å²	23.9	39%	0.388	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	35.5	174.4	-77.5	-133.5	116.2	0	0	113.2	N395 K406 I407 D408	E393-N395 PolarHBondContact O-N 3.36Å; E393-N395 VanDerWaalsContact O-N 3.08Å; E393-K406 VanDerWaalsContact CB-CE 3.46Å; E393-K406 VanDerWaalsContact CD-CE 3.41Å; E393-K406 VanDerWaalsContact O-CE 3.24Å; E393-K406 WeakPolarHBondContact O-CE 3.47Å; E393-K406 VanDerWaalsContact OE1-CE 3.3Å; E393-K406 WeakPolarHBondContact OE1-CE 3.47Å; E393-K406 IonicContact OE1-NZ 3.48Å; E393-K406 PolarHBondContact OE1-NZ 3.25Å; E393-K406 IonicContact OE2-NZ 3.16Å; E393-K406 PolarHBondContact OE2-NZ 2.87Å; E393-I407 CarbonylContact C-O 3.59Å; E393-I407 VanDerWaalsContact CA-O 3.3Å; E393-I407 WeakPolarHBondContact CA-O 3.44Å; E393-I407 PolarHBondContact N-O 2.71Å; E393-D408 PolarHBondContact N-O 2.98Å
394	E	86.6	Confident	89.3	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	106.2	-170.8	-173.6	-178.2	176.1	0	0	111.7	I392 V396 K406 I407 T410 R460	I392-E394 PolarHBondContact O-N 2.68Å; E394-V396 HydrophobicContact CG-CG2 4.09Å; E394-V396 PolarHBondContact O-N 2.66Å; E394-K406 WeakPolarHBondContact O-CA 3.23Å; E394-I407 HydrophobicContact CB-CB 4.33Å; E394-I407 PolarHBondContact N-O 2.69Å; E394-I407 PolarHBondContact O-N 2.67Å; E394-T410 WeakPolarHBondContact OE2-CB 3.11Å; E394-T410 WeakPolarHBondContact OE2-CG2 3.24Å; E394-T410 PolarHBondContact OE2-OG1 3.28Å; E394-R460 WeakPolarHBondContact OE1-CD 3.3Å; E394-R460 IonicContact OE1-CZ 3.4Å; E394-R460 IonicContact OE1-NE 4Å; E394-R460 IonicContact OE1-NH1 3.16Å; E394-R460 PolarHBondContact OE1-NH1 3.41Å
395	N	86.7	Confident	89.6	Confident	33 Å²	33	24.9 Å²	24.9	18%	0.176	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125	170.1	-69.9	-40.7	0	0	0	110.7	E393 R460	E393-N395 PolarHBondContact O-N 3.36Å; E393-N395 VanDerWaalsContact O-N 3.08Å; N395-R460 PolarHBondContact O-NH1 2.97Å; N395-R460 PolarHBondContact O-NH2 3.29Å
396	V	88.4	Confident	89.7	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.7	175.4	-168.8	0	0	0	0	110.4	E394 K404 G405 I407 M456	E394-V396 HydrophobicContact CG-CG2 4.09Å; E394-V396 PolarHBondContact O-N 2.66Å; V396-K404 WeakPolarHBondContact O-CA 3.4Å; V396-G405 PolarHBondContact N-O 2.61Å; V396-G405 PolarHBondContact O-N 3.22Å; V396-I407 HydrophobicContact CG2-CD1 3.84Å; V396-I407 HydrophobicContact CG2-CG1 4.39Å; V396-M456 HydrophobicContact CB-CB 4.35Å; V396-M456 HydrophobicContact CG1-CB 3.96Å; V396-M456 WeakPolarHBondContact CG1-O 3.3Å
397	W	90.2	Very high	89.9	Confident	32 Å²	32	27.4 Å²	27.4	12%	0.121	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.2	169	-65.5	3.1	0	0	0	107.9	L261 P399 W597 V655 I664 T668	L261-W397 HydrophobicContact CD1-CB 3.86Å; L261-W397 HydrophobicContact CD1-CD2 4.16Å; L261-W397 HydrophobicContact CD1-CE3 4.32Å; L261-W397 HydrophobicContact CD1-CG 3.95Å; W397-P399 WeakPolarHBondContact O-CD 3.3Å; W397-W597 HydrophobicContact CE3-CZ3 4.02Å; W397-W597 HydrophobicContact CZ3-CZ3 4.31Å; W397-V655 HydrophobicContact CH2-CB 4.39Å; W397-V655 HydrophobicContact CH2-CG2 3.86Å; W397-V655 HydrophobicContact CZ3-CG2 3.96Å; W397-I664 HydrophobicContact CE3-CG2 4.39Å; W397-T668 HydrophobicContact CH2-CG2 4.31Å; W397-T668 HydrophobicContact CZ2-CG2 4.05Å
398	S	92.4	Very high	90.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	100.6	176.5	173.6	0	0	0	0	110	L261 R400 F401 G402 L403 E459	L261-S398 WeakPolarHBondContact CD2-O 3.48Å; S398-R400 PolarHBondContact O-N 2.93Å; S398-F401 VanDerWaalsContact OG-CD2 3.32Å; S398-F401 WeakPolarHBondContact OG-CD2 3.47Å; S398-F401 PolarHBondContact OG-N 2.86Å; S398-F401 VanDerWaalsContact OG-N 3.11Å; S398-G402 WeakPolarHBondContact O-CA 3.38Å; S398-G402 PolarHBondContact O-N 3.04Å; S398-L403 PolarHBondContact N-O 3.08Å; S398-L403 PolarHBondContact O-N 3.21Å; S398-E459 WeakPolarHBondContact CA-OE1 3.37Å; S398-E459 WeakPolarHBondContact CB-OE1 3.47Å; S398-E459 PolarHBondContact OG-OE1 2.89Å
399	P	89.9	Confident	90.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.1	173.8	33.6	-37.1	0	0	0	112.8	R188 W397 E459 W597 I664	R188-P399 PolarHBondContact NH1-O 2.9Å; R188-P399 PolarHBondContact NH2-O 3.25Å; W397-P399 WeakPolarHBondContact O-CD 3.3Å; P399-E459 WeakPolarHBondContact CD-OE1 3.44Å; P399-W597 HydrophobicContact CB-CB 4.49Å; P399-W597 VanDerWaalsContact CB-CD1 3.46Å; P399-W597 HydrophobicContact CB-CD2 3.88Å; P399-W597 HydrophobicContact CB-CG 3.73Å; P399-W597 HydrophobicContact CB-CZ2 4.44Å; P399-W597 HydrophobicContact CG-CB 4.21Å; P399-W597 HydrophobicContact CG-CD2 4.38Å; P399-W597 HydrophobicContact CG-CG 3.98Å; P399-I664 HydrophobicContact CG-CD1 3.94Å
400	R	91.3	Very high	90.5	Very high	42 Å²	42	22.3 Å²	22.3	16%	0.158	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-60.6	170.5	-75.1	161.2	58.7	-148.1	9.5	110.5	P185 N186 H235 E237 S398 G402 M458 E459	P185-R400 WeakPolarHBondContact O-CD 3.37Å; P185-R400 VanDerWaalsContact O-CG 3.23Å; P185-R400 WeakPolarHBondContact O-CG 3.48Å; N186-R400 WeakPolarHBondContact OD1-CG 3.35Å; H235-R400 PolarHBondContact CD2-O 3.18Å; E237-R400 IonicContact OE1-CZ 2.68Å; E237-R400 IonicContact OE1-NE 2.71Å; E237-R400 PolarHBondContact OE1-NE 2.86Å; E237-R400 IonicContact OE1-NH2 3.42Å; E237-R400 PolarHBondContact OE1-NH2 3.42Å; S398-R400 PolarHBondContact O-N 2.93Å; R400-G402 VanDerWaalsContact C-N 3.27Å; R400-G402 PolarHBondContact O-N 3.31Å; R400-M458 PolarHBondContact NH1-O 3.47Å; R400-E459 WeakPolarHBondContact CD-OE2 3.43Å; R400-E459 IonicContact CZ-OE2 2.94Å; R400-E459 IonicContact NE-OE2 3.51Å; R400-E459 IonicContact NH1-OE2 3.66Å; R400-E459 PolarHBondContact NH1-OE2 2.96Å
401	F	94.5	Very high	90.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.7	-178.3	-57.5	-59.8	0	0	0	114.3	E237 F253 S398 L403 L455 M458 L490 R493	E237-F401 HydrophobicContact CG-CE1 4.06Å; F253-F401 HydrophobicContact CD2-CE1 4.31Å; S398-F401 VanDerWaalsContact OG-CD2 3.32Å; S398-F401 WeakPolarHBondContact OG-CD2 3.47Å; S398-F401 PolarHBondContact OG-N 2.86Å; S398-F401 VanDerWaalsContact OG-N 3.11Å; F401-L403 VanDerWaalsContact C-N 3.32Å; F401-L403 HydrophobicContact CB-CB 4.47Å; F401-L403 HydrophobicContact CB-CD1 3.71Å; F401-L403 HydrophobicContact CB-CG 3.74Å; F401-L455 HydrophobicContact CD1-CD2 4.28Å; F401-L455 HydrophobicContact CD2-CB 4.22Å; F401-L455 HydrophobicContact CD2-CD2 4.37Å; F401-L455 HydrophobicContact CE1-CD2 4.02Å; F401-L455 HydrophobicContact CE2-CD2 4.12Å; F401-L455 WeakPolarHBondContact CE2-O 3.37Å; F401-L455 HydrophobicContact CG-CD2 4.46Å; F401-L455 HydrophobicContact CZ-CD2 3.95Å; F401-M458 HydrophobicContact CE2-CB 4.3Å; F401-M458 HydrophobicContact CZ-SD 4.48Å; F401-L490 HydrophobicContact CB-CD2 4.11Å; F401-L490 HydrophobicContact CD1-CD1 4.04Å; F401-L490 HydrophobicContact CD1-CD2 4.27Å; F401-R493 WeakPolarHBondContact O-CD 3.32Å; F401-R493 PolarHBondContact O-NE 3.22Å
402	G	94.1	Very high	91	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	40	-176.1	0	0	0	0	0	112.4	P258 L261 I262 S398 R400 R493	P258-G402 WeakPolarHBondContact O-CA 3.38Å; L261-G402 WeakPolarHBondContact CA-O 3.36Å; I262-G402 PolarHBondContact N-O 3.05Å; S398-G402 WeakPolarHBondContact O-CA 3.38Å; S398-G402 PolarHBondContact O-N 3.04Å; R400-G402 VanDerWaalsContact C-N 3.27Å; R400-G402 PolarHBondContact O-N 3.31Å; G402-R493 PolarHBondContact O-NE 2.63Å
403	L	94.4	Very high	91.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.2	-174.4	-60	179.1	0	0	0	111.5	I262 I267 S398 F401 L452 L455 M456 R493	I262-L403 CarbonylContact O-C 3.45Å; I262-L403 WeakPolarHBondContact O-CA 3.25Å; I267-L403 HydrophobicContact CD1-CD2 3.33Å; S398-L403 PolarHBondContact N-O 3.08Å; S398-L403 PolarHBondContact O-N 3.21Å; F401-L403 VanDerWaalsContact C-N 3.32Å; F401-L403 HydrophobicContact CB-CB 4.47Å; F401-L403 HydrophobicContact CB-CD1 3.71Å; F401-L403 HydrophobicContact CB-CG 3.74Å; L403-L452 HydrophobicContact CD1-CD2 3.78Å; L403-L452 HydrophobicContact CD2-CD2 4.08Å; L403-L455 HydrophobicContact CD1-CB 4.2Å; L403-L455 HydrophobicContact CD1-CD1 4.48Å; L403-M456 HydrophobicContact CB-CG 3.62Å; L403-M456 HydrophobicContact CB-SD 3.72Å; L403-M456 HydrophobicContact CD1-CG 3.88Å; L403-M456 HydrophobicContact CG-CG 4.41Å; L403-R493 HydrophobicContact CD2-CG 4.02Å
404	K	91.9	Very high	91.3	Very high	62 Å²	62	22.4 Å²	22.4	27%	0.27	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.9	164.4	59.8	174.1	-169.7	-90.2	0	110.4	L261 I262 S263 G264 V396	L261-K404 HydrophobicContact CB-CB 4.11Å; L261-K404 HydrophobicContact CB-CD 4.3Å; L261-K404 HydrophobicContact CB-CG 4.15Å; L261-K404 PolarHBondContact O-NZ 2.8Å; I262-K404 PolarHBondContact O-N 2.64Å; S263-K404 WeakPolarHBondContact CA-O 3.44Å; G264-K404 PolarHBondContact N-O 2.68Å; V396-K404 WeakPolarHBondContact O-CA 3.4Å
405	G	89.9	Confident	91.3	Very high	16 Å²	16	22.4 Å²	22.4	17%	0.165	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	168.2	-178.7	0	0	0	0	0	112.3	V396 M456	V396-G405 PolarHBondContact N-O 2.61Å; V396-G405 PolarHBondContact O-N 3.22Å; G405-M456 PolarHBondContact N-SD 3.32Å; G405-M456 VanDerWaalsContact N-SD 3.36Å
406	K	89.4	Confident	91.1	Very high	80 Å²	80	23.6 Å²	23.6	35%	0.348	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.6	169.8	-169.4	177.7	-170.4	-167.7	0	106.2	E393 E394 Y453	E393-K406 VanDerWaalsContact CB-CE 3.46Å; E393-K406 VanDerWaalsContact CD-CE 3.41Å; E393-K406 VanDerWaalsContact O-CE 3.24Å; E393-K406 WeakPolarHBondContact O-CE 3.47Å; E393-K406 VanDerWaalsContact OE1-CE 3.3Å; E393-K406 WeakPolarHBondContact OE1-CE 3.47Å; E393-K406 IonicContact OE1-NZ 3.48Å; E393-K406 PolarHBondContact OE1-NZ 3.25Å; E393-K406 IonicContact OE2-NZ 3.16Å; E393-K406 PolarHBondContact OE2-NZ 2.87Å; E394-K406 WeakPolarHBondContact O-CA 3.23Å; K406-Y453 PolarHBondContact O-OH 3.36Å
407	I	91.8	Very high	90.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.1	-178.8	-57.4	167.1	0	0	0	106.6	E393 E394 V396 V409 P432 Y453	E393-I407 CarbonylContact C-O 3.59Å; E393-I407 VanDerWaalsContact CA-O 3.3Å; E393-I407 WeakPolarHBondContact CA-O 3.44Å; E393-I407 PolarHBondContact N-O 2.71Å; E394-I407 HydrophobicContact CB-CB 4.33Å; E394-I407 PolarHBondContact N-O 2.69Å; E394-I407 PolarHBondContact O-N 2.67Å; V396-I407 HydrophobicContact CG2-CD1 3.84Å; V396-I407 HydrophobicContact CG2-CG1 4.39Å; I407-V409 VanDerWaalsContact C-N 3.32Å; I407-V409 VanDerWaalsContact CG2-O 3.3Å; I407-V409 WeakPolarHBondContact CG2-O 2.97Å; I407-V409 PolarHBondContact O-N 3.49Å; I407-P432 HydrophobicContact CD1-CB 4.27Å; I407-P432 HydrophobicContact CG1-CB 4.47Å; I407-P432 HydrophobicContact CG2-CB 3.75Å; I407-Y453 HydrophobicContact CG1-CD1 3.62Å; I407-Y453 HydrophobicContact CG1-CE1 4.2Å; I407-Y453 HydrophobicContact CG1-CG 4.12Å
408	D	92.9	Very high	89.6	Confident	22 Å²	22	28.7 Å²	28.7	12%	0.118	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	-50.4	179.9	-86.9	-44.7	0	0	0	110.9	H300 Q304 E393 L435	H300-D408 IonicContact CE1-OD1 2.76Å; H300-D408 IonicContact CE1-OD2 3.88Å; H300-D408 PolarHBondContact CE1-OD2 3.18Å; H300-D408 VanDerWaalsContact CE1-OD2 3.25Å; H300-D408 IonicContact ND1-OD1 2.82Å; H300-D408 PolarHBondContact ND1-OD1 3.14Å; H300-D408 IonicContact ND1-OD2 3.22Å; H300-D408 PolarHBondContact ND1-OD2 2.78Å; Q304-D408 PolarHBondContact NE2-O 2.69Å; E393-D408 PolarHBondContact N-O 2.98Å; D408-L435 HydrophobicContact CB-CB 4.35Å; D408-L435 HydrophobicContact CB-CD1 4.08Å; D408-L435 HydrophobicContact CB-CG 3.77Å; D408-L435 WeakPolarHBondContact OD2-CB 3.25Å; D408-L435 PolarHBondContact OD2-N 3.02Å
409	V	94.3	Very high	87.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.2	179.9	-175.2	0	0	0	0	110.6	F303 L389 I392 I407 L433 L435	F303-V409 HydrophobicContact CD1-CG2 4.37Å; F303-V409 HydrophobicContact CE1-CG2 4.04Å; L389-V409 HydrophobicContact CB-CG1 4.11Å; L389-V409 HydrophobicContact CD1-CG1 4.4Å; L389-V409 HydrophobicContact CD2-CG1 3.96Å; L389-V409 HydrophobicContact CG-CG1 4.36Å; I392-V409 HydrophobicContact CG1-CG1 4.49Å; I407-V409 VanDerWaalsContact C-N 3.32Å; I407-V409 VanDerWaalsContact CG2-O 3.3Å; I407-V409 WeakPolarHBondContact CG2-O 2.97Å; I407-V409 PolarHBondContact O-N 3.49Å; V409-L433 HydrophobicContact CB-CB 4.2Å; V409-L433 HydrophobicContact CB-CD2 4.16Å; V409-L433 HydrophobicContact CB-CG 4.28Å; V409-L433 HydrophobicContact CG1-CD2 4.23Å; V409-L433 PolarHBondContact N-O 3.04Å; V409-L433 WeakPolarHBondContact O-CA 3.33Å; V409-L433 WeakPolarHBondContact O-CB 3.46Å; V409-L433 PolarHBondContact O-N 2.99Å; V409-L435 HydrophobicContact CG2-CD1 4.06Å; V409-L435 HydrophobicContact CG2-CD2 4.45Å; V409-L435 HydrophobicContact CG2-CG 4.39Å
410	T	93.7	Very high	86.2	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.3	173.5	-64.7	0	0	0	0	108.6	A390 D391 E394 T430 Y461	A390-T410 PolarHBondContact N-O 3.06Å; D391-T410 PolarHBondContact N-O 3.19Å; D391-T410 VanDerWaalsContact N-O 3.08Å; D391-T410 PolarHBondContact O-N 2.83Å; E394-T410 WeakPolarHBondContact OE2-CB 3.11Å; E394-T410 WeakPolarHBondContact OE2-CG2 3.24Å; E394-T410 PolarHBondContact OE2-OG1 3.28Å; T410-T430 HydrophobicContact CG2-CG2 3.29Å; T410-Y461 HydrophobicContact CG2-CE2 4.16Å
411	A	93.4	Very high	84.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.7	-169.7	0	0	0	0	0	112.2	L386 E388 L389 T430 V431 L433	L386-A411 HydrophobicContact CD1-CB 3.77Å; E388-A411 WeakPolarHBondContact O-CA 3.45Å; L389-A411 HydrophobicContact CD2-CB 4.1Å; A411-T430 CarbonylContact O-C 3.53Å; A411-T430 WeakPolarHBondContact O-CA 3.49Å; A411-V431 HydrophobicContact CB-CG2 4.34Å; A411-V431 PolarHBondContact N-O 3.29Å; A411-V431 PolarHBondContact O-N 3.37Å; A411-L433 HydrophobicContact CB-CB 4.42Å
412	K	92.2	Very high	82.4	Confident	61 Å²	61	52.9 Å²	52.9	27%	0.265	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.2	165.7	-68.3	-167.6	-167	155.4	0	111.2	T387 E388 A390 E428 K429	T387-K412 PolarHBondContact N-O 2.68Å; T387-K412 WeakPolarHBondContact OG1-CB 3.44Å; T387-K412 PolarHBondContact OG1-O 3.33Å; E388-K412 HydrophobicContact CG-CB 3.92Å; E388-K412 HydrophobicContact CG-CD 3.98Å; E388-K412 HydrophobicContact CG-CG 4.06Å; E388-K412 PolarHBondContact O-N 2.72Å; E388-K412 WeakPolarHBondContact OE1-CD 3.42Å; E388-K412 WeakPolarHBondContact OE1-CE 3.39Å; E388-K412 IonicContact OE1-NZ 2.74Å; E388-K412 PolarHBondContact OE1-NZ 2.79Å; A390-K412 HydrophobicContact CB-CG 4.27Å; K412-E428 HydrophobicContact CB-CG 4.13Å; K412-E428 HydrophobicContact CD-CG 4.16Å; K412-E428 VanDerWaalsContact CD-OE2 3.26Å; K412-E428 WeakPolarHBondContact CD-OE2 3.44Å; K412-E428 IonicContact NZ-OE2 3.68Å; K412-K429 WeakPolarHBondContact CA-O 3.33Å
413	V	90.8	Very high	80.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.1	-176	-172.9	0	0	0	0	109.5	F384 T385 L386 E428 K429 V431 L467	F384-V413 HydrophobicContact CB-CG1 3.74Å; F384-V413 HydrophobicContact CD1-CG1 4.05Å; F384-V413 HydrophobicContact CG-CG1 4.41Å; T385-V413 CarbonylContact O-C 3.56Å; T385-V413 WeakPolarHBondContact O-CA 3.03Å; L386-V413 HydrophobicContact CD1-CG2 4.29Å; V413-E428 WeakPolarHBondContact O-CA 3.28Å; V413-K429 PolarHBondContact N-O 3.02Å; V413-K429 PolarHBondContact O-N 3.4Å; V413-V431 HydrophobicContact CG2-CG1 4.46Å; V413-V431 HydrophobicContact CG2-CG2 3.55Å; V413-L467 HydrophobicContact CG2-CD1 4.12Å
414	R	89.2	Confident	78.8	Confident	112 Å²	112	65 Å²	65	42%	0.423	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.5	172.2	-175.5	175.3	-64.1	167	5.5	109.8	F384 T385 T387 C426 E427	F384-R414 CarbonylContact C-O 3.59Å; F384-R414 WeakPolarHBondContact CA-O 3.27Å; T385-R414 PolarHBondContact N-O 2.71Å; T385-R414 PolarHBondContact O-N 2.95Å; T387-R414 HydrophobicContact CG2-CB 3.68Å; R414-C426 WeakPolarHBondContact CG-SG 3.05Å; R414-E427 CarbonylContact C-O 3.56Å; R414-E427 WeakPolarHBondContact CA-O 3.48Å
415	I	85.4	Confident	77.6	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.5	-178.8	-47	-179.3	0	0	0	108.2	A382 F384 R417 C426 E427 K429	A382-I415 HydrophobicContact CB-CG2 4.05Å; F384-I415 HydrophobicContact CD1-CB 4.47Å; F384-I415 HydrophobicContact CD1-CD1 4.21Å; F384-I415 HydrophobicContact CD1-CG1 3.78Å; F384-I415 HydrophobicContact CD1-CG2 4.25Å; F384-I415 HydrophobicContact CE1-CB 4.46Å; F384-I415 HydrophobicContact CE1-CD1 3.76Å; F384-I415 HydrophobicContact CE1-CG1 3.81Å; F384-I415 HydrophobicContact CE1-CG2 3.93Å; F384-I415 HydrophobicContact CZ-CG2 4.24Å; I415-R417 HydrophobicContact CG2-CG 4.32Å; I415-C426 WeakPolarHBondContact O-CA 3.44Å; I415-E427 PolarHBondContact N-O 3.34Å; I415-E427 PolarHBondContact O-N 3.48Å; I415-E427 VanDerWaalsContact O-N 3.08Å; I415-K429 HydrophobicContact CD1-CB 4.17Å; I415-K429 HydrophobicContact CD1-CD 3.74Å; I415-K429 HydrophobicContact CD1-CG 3.86Å
416	Q	83.9	Confident	76.8	Confident	57 Å²	57	68 Å²	68	27%	0.266	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.1	170.9	-63.3	-171.4	25	0	0	109.9	A382 V383 R424	A382-Q416 WeakPolarHBondContact CA-O 3.45Å; V383-Q416 HydrophobicContact CB-CB 4.48Å; V383-Q416 PolarHBondContact N-O 2.82Å; V383-Q416 PolarHBondContact O-N 3.4Å; Q416-R424 VanDerWaalsContact OE1-NH1 3.1Å
417	R	80	Confident	76.6	Confident	68 Å²	68	66.9 Å²	66.9	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126	175.6	-70.3	172.4	172.3	155.9	-8.8	110.3	A382 I415 R419 V425 E427 E464	A382-R417 HydrophobicContact CB-CG 4.15Å; I415-R417 HydrophobicContact CG2-CG 4.32Å; R417-R419 PolarHBondContact O-N 2.87Å; R417-V425 PolarHBondContact N-O 3.42Å; R417-E427 IonicContact CZ-OE1 2.67Å; R417-E427 IonicContact NH1-OE1 3.97Å; R417-E427 PolarHBondContact NH1-OE1 3.24Å; R417-E427 IonicContact NH1-OE2 3.35Å; R417-E464 IonicContact CZ-OE1 3.72Å; R417-E464 IonicContact CZ-OE2 2.82Å; R417-E464 IonicContact NH1-OE1 3.65Å; R417-E464 IonicContact NH2-OE1 3.09Å; R417-E464 PolarHBondContact NH2-OE1 3.4Å; R417-E464 IonicContact NH2-OE2 3.99Å; R417-E464 PolarHBondContact NH2-OE2 2.71Å
418	S	65.8	Low	76.5	Confident	73 Å²	73	71.4 Å²	71.4	51%	0.51	37%	0.373	S	S	.	.			trans	-81	112.9	172.2	-167.3	0	0	0	0	110	P380	P380-S418 WeakPolarHBondContact CB-O 3.41Å
419	R	58.1	Low	76.4	Confident	189 Å²	189	72.2 Å²	72.2	71%	0.713	38%	0.376	S	S	*	.			trans	-99.6	147.2	172.2	-165.3	174.9	-176	-179.8	0.8	109.5	R417 G421	R417-R419 PolarHBondContact O-N 2.87Å; R419-G421 PolarHBondContact O-N 3.3Å
420	N	53.8	Low	76.3	Confident	172 Å²	172	73.6 Å²	73.6	92%	0.92	38%	0.384	S	S	*	.	S	Bend	trans	-64.4	97.7	174.2	-67.3	-0.8	0	0	0	109.8
421	G	52.3	Low	76.3	Confident	51 Å²	51	73.7 Å²	73.7	53%	0.526	38%	0.384	S	S	.	.	S	Bend	trans	111.1	97.2	-178.1	0	0	0	0	0	113.6	R419 S423	R419-G421 PolarHBondContact O-N 3.3Å; G421-S423 PolarHBondContact O-N 3.15Å
422	S	53.9	Low	76.4	Confident	140 Å²	140	73.7 Å²	73.7	98%	0.979	39%	0.385	S	S	*	.	S	Bend	trans	47.1	-23.7	156.7	56	0	0	0	0	122.6
423	S	50.8	Low	76.6	Confident	76 Å²	76	70.8 Å²	70.8	53%	0.531	37%	0.372	S	S	.	.			trans	-102.4	112.7	-178.3	-172.5	0	0	0	0	111.9	G421	G421-S423 PolarHBondContact O-N 3.15Å
424	R	60.8	Low	76.8	Confident	179 Å²	179	71.2 Å²	71.2	68%	0.675	37%	0.374	S	S	*	.			trans	-86.9	108.6	169.8	-66.2	-172.6	-173.6	-170.1	6	109.2	Q416 C426	Q416-R424 VanDerWaalsContact OE1-NH1 3.1Å; R424-C426 PolarHBondContact O-N 3.19Å
425	V	67.4	Low	77.1	Confident	66 Å²	66	65.9 Å²	65.9	40%	0.4	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.7	166.7	-179.1	0	0	0	0	108.1	R417 E427	R417-V425 PolarHBondContact N-O 3.42Å; V425-E427 HydrophobicContact CG1-CG 4.19Å
426	C	74	Confident	77.5	Confident	74 Å²	74	67.1 Å²	67.1	50%	0.5	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	101.8	-175.6	-171.2	0	0	0	0	108.3	R414 I415 R424	R414-C426 WeakPolarHBondContact CG-SG 3.05Å; I415-C426 WeakPolarHBondContact O-CA 3.44Å; R424-C426 PolarHBondContact O-N 3.19Å
427	E	85.3	Confident	77.8	Confident	57 Å²	57	66.4 Å²	66.4	27%	0.266	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149	178	-70.7	165.2	-123.3	0	0	109.3	R414 I415 R417 V425 K429	R414-E427 CarbonylContact C-O 3.56Å; R414-E427 WeakPolarHBondContact CA-O 3.48Å; I415-E427 PolarHBondContact N-O 3.34Å; I415-E427 PolarHBondContact O-N 3.48Å; I415-E427 VanDerWaalsContact O-N 3.08Å; R417-E427 IonicContact CZ-OE1 2.67Å; R417-E427 IonicContact NH1-OE1 3.97Å; R417-E427 PolarHBondContact NH1-OE1 3.24Å; R417-E427 IonicContact NH1-OE2 3.35Å; V425-E427 HydrophobicContact CG1-CG 4.19Å; E427-K429 WeakPolarHBondContact OE2-CE 3.4Å; E427-K429 IonicContact OE2-NZ 2.77Å; E427-K429 PolarHBondContact OE2-NZ 3.05Å
428	E	88.4	Confident	77.9	Confident	96 Å²	96	64.7 Å²	64.7	45%	0.449	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.4	165.1	-175.6	166.6	-95.2	0	0	108.8	T387 K412 V413	T387-E428 WeakPolarHBondContact CB-OE1 3.27Å; T387-E428 PolarHBondContact OG1-OE1 3.39Å; K412-E428 HydrophobicContact CB-CG 4.13Å; K412-E428 HydrophobicContact CD-CG 4.16Å; K412-E428 VanDerWaalsContact CD-OE2 3.26Å; K412-E428 WeakPolarHBondContact CD-OE2 3.44Å; K412-E428 IonicContact NZ-OE2 3.68Å; V413-E428 WeakPolarHBondContact O-CA 3.28Å
429	K	90.3	Very high	78.9	Confident	40 Å²	40	71.6 Å²	71.6	17%	0.174	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.6	-180	-62.6	-162.9	179.4	-177.5	0	111.7	K412 V413 I415 E427 E464	K412-K429 WeakPolarHBondContact CA-O 3.33Å; V413-K429 PolarHBondContact N-O 3.02Å; V413-K429 PolarHBondContact O-N 3.4Å; I415-K429 HydrophobicContact CD1-CB 4.17Å; I415-K429 HydrophobicContact CD1-CD 3.74Å; I415-K429 HydrophobicContact CD1-CG 3.86Å; E427-K429 WeakPolarHBondContact OE2-CE 3.4Å; E427-K429 IonicContact OE2-NZ 2.77Å; E427-K429 PolarHBondContact OE2-NZ 3.05Å; K429-E464 HydrophobicContact CD-CG 4.12Å; K429-E464 IonicContact NZ-OE1 2.73Å; K429-E464 PolarHBondContact NZ-OE1 3.49Å
430	T	92.8	Very high	80.4	Confident	28 Å²	28	65.5 Å²	65.5	17%	0.172	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.1	170.4	-50.4	0	0	0	0	109.7	T410 A411 Y461	T410-T430 HydrophobicContact CG2-CG2 3.29Å; A411-T430 CarbonylContact O-C 3.53Å; A411-T430 WeakPolarHBondContact O-CA 3.49Å; T430-Y461 HydrophobicContact CG2-CD1 4.12Å; T430-Y461 HydrophobicContact CG2-CD2 3.87Å; T430-Y461 HydrophobicContact CG2-CE1 4.17Å; T430-Y461 HydrophobicContact CG2-CE2 3.91Å; T430-Y461 HydrophobicContact CG2-CG 3.98Å
431	V	93.9	Very high	82	Confident	5 Å²	5	60 Å²	60	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.8	-179.2	-54	0	0	0	0	111.5	A411 V413 P463 I465 L467	A411-V431 HydrophobicContact CB-CG2 4.34Å; A411-V431 PolarHBondContact N-O 3.29Å; A411-V431 PolarHBondContact O-N 3.37Å; V413-V431 HydrophobicContact CG2-CG1 4.46Å; V413-V431 HydrophobicContact CG2-CG2 3.55Å; V431-P463 HydrophobicContact CG1-CB 4.23Å; V431-I465 WeakPolarHBondContact CB-O 3.43Å; V431-I465 HydrophobicContact CG1-CG1 4.27Å; V431-I465 WeakPolarHBondContact CG1-O 3.15Å; V431-L467 HydrophobicContact CG2-CD1 4.05Å; V431-L467 HydrophobicContact CG2-CG 4.19Å
432	P	95.4	Very high	83.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138	169	30.5	-33.9	0	0	0	111.2	I407 T454 G466 L467	I407-P432 HydrophobicContact CD1-CB 4.27Å; I407-P432 HydrophobicContact CG1-CB 4.47Å; I407-P432 HydrophobicContact CG2-CB 3.75Å; P432-T454 HydrophobicContact CG-CG2 3.79Å; P432-G466 CarbonylContact O-C 3.51Å; P432-G466 WeakPolarHBondContact O-CA 3.48Å; P432-L467 PolarHBondContact O-N 2.87Å
433	L	95.4	Very high	85.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.6	169.1	166.7	62	0	0	0	108.5	L389 V409 A411 L435 L467 L469 M476	L389-L433 HydrophobicContact CD2-CD2 4.34Å; V409-L433 HydrophobicContact CB-CB 4.2Å; V409-L433 HydrophobicContact CB-CD2 4.16Å; V409-L433 HydrophobicContact CB-CG 4.28Å; V409-L433 HydrophobicContact CG1-CD2 4.23Å; V409-L433 PolarHBondContact N-O 3.04Å; V409-L433 WeakPolarHBondContact O-CA 3.33Å; V409-L433 WeakPolarHBondContact O-CB 3.46Å; V409-L433 PolarHBondContact O-N 2.99Å; A411-L433 HydrophobicContact CB-CB 4.42Å; L433-L435 HydrophobicContact CD1-CD2 4.35Å; L433-L435 HydrophobicContact CD2-CD2 4.29Å; L433-L435 HydrophobicContact CG-CD2 4.02Å; L433-L467 HydrophobicContact CB-CB 4.25Å; L433-L467 HydrophobicContact CD1-CB 3.61Å; L433-L469 HydrophobicContact CD1-CB 3.85Å; L433-M476 HydrophobicContact CD1-SD 4.34Å
434	E	95.8	Very high	87.3	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.2	173.9	-178.8	74.6	161.3	0	0	110	K436 Q449 V450 Y453 L467 L468 L469	E434-K436 IonicContact OE1-NZ 2.68Å; E434-K436 PolarHBondContact OE1-NZ 3.2Å; E434-Q449 PolarHBondContact OE1-OE1 3.28Å; E434-V450 HydrophobicContact CB-CG2 3.63Å; E434-V450 HydrophobicContact CG-CG2 4.29Å; E434-Y453 HydrophobicContact CG-CE2 4.45Å; E434-Y453 WeakPolarHBondContact OE2-CE2 3.21Å; E434-L467 PolarHBondContact N-O 3.26Å; E434-L468 HydrophobicContact CB-CD1 4Å; E434-L468 HydrophobicContact CG-CD1 3.95Å; E434-L469 PolarHBondContact O-N 3.25Å
435	L	95.2	Very high	88.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144.9	176.3	-49.1	179.6	0	0	0	110	H300 F303 D408 V409 L433 L469 L471	H300-L435 PolarHBondContact CE1-O 2.93Å; F303-L435 HydrophobicContact CB-CD1 4.43Å; F303-L435 HydrophobicContact CD1-CD1 3.56Å; F303-L435 HydrophobicContact CD1-CD2 4.35Å; F303-L435 HydrophobicContact CE1-CD1 4.01Å; F303-L435 HydrophobicContact CE1-CD2 3.99Å; F303-L435 HydrophobicContact CG-CD1 4.05Å; F303-L435 HydrophobicContact CZ-CD2 4.18Å; D408-L435 HydrophobicContact CB-CB 4.35Å; D408-L435 HydrophobicContact CB-CD1 4.08Å; D408-L435 HydrophobicContact CB-CG 3.77Å; D408-L435 WeakPolarHBondContact OD2-CB 3.25Å; D408-L435 PolarHBondContact OD2-N 3.02Å; V409-L435 HydrophobicContact CG2-CD1 4.06Å; V409-L435 HydrophobicContact CG2-CD2 4.45Å; V409-L435 HydrophobicContact CG2-CG 4.39Å; L433-L435 HydrophobicContact CD1-CD2 4.35Å; L433-L435 HydrophobicContact CD2-CD2 4.29Å; L433-L435 HydrophobicContact CG-CD2 4.02Å; L435-L469 HydrophobicContact CD2-CB 4.15Å; L435-L469 HydrophobicContact CD2-CD2 4.02Å; L435-L469 HydrophobicContact CD2-CG 4.47Å; L435-L471 HydrophobicContact CB-CD1 4.1Å; L435-L471 HydrophobicContact CB-CD2 4.46Å; L435-L471 HydrophobicContact CB-CG 4.3Å; L435-L471 HydrophobicContact CD1-CD1 4.43Å; L435-L471 HydrophobicContact CD2-CD2 4.24Å
436	K	94.6	Very high	89.9	Confident	30 Å²	30	47.8 Å²	47.8	13%	0.13	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.5	175.9	-68.3	-62.6	173.2	-132.8	0	112.6	E434 L468 L469 Y470 L471	E434-K436 IonicContact OE1-NZ 2.68Å; E434-K436 PolarHBondContact OE1-NZ 3.2Å; K436-L468 HydrophobicContact CG-CD1 3.71Å; K436-L469 PolarHBondContact N-O 3.14Å; K436-Y470 HydrophobicContact CB-CD1 3.77Å; K436-Y470 HydrophobicContact CB-CE1 3.73Å; K436-Y470 HydrophobicContact CG-CE1 4.29Å; K436-Y470 CarbonylContact O-C 3.56Å; K436-Y470 WeakPolarHBondContact O-CA 3.42Å; K436-L471 PolarHBondContact O-N 3.09Å
437	T	88.9	Confident	90.9	Very high	41 Å²	41	48 Å²	48	25%	0.252	24%	0.238	S	C	.	.			trans	-111.4	156.9	178.7	53.9	0	0	0	0	111.1	G296 V299 Y351 L471	G296-T437 WeakPolarHBondContact CA-OG1 3.43Å; V299-T437 HydrophobicContact CB-CG2 4.06Å; V299-T437 HydrophobicContact CG1-CG2 4.45Å; V299-T437 HydrophobicContact CG2-CG2 4.42Å; Y351-T437 HydrophobicContact CE1-CG2 4.18Å; T437-L471 HydrophobicContact CG2-CB 4.26Å; T437-L471 HydrophobicContact CG2-CD1 3.82Å; T437-L471 HydrophobicContact CG2-CG 4.42Å
438	G	84.1	Confident	91.3	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	23%	0.228	S	C	.	.	S	Bend	trans	82.4	-137.7	-174.4	0	0	0	0	0	113.6	Y351	Y351-G438 PolarHBondContact OH-N 3.48Å
439	R	85.3	Confident	91.5	Very high	218 Å²	218	41.8 Å²	41.8	82%	0.823	21%	0.21	S	C	*	.			trans	-75.5	127.3	-170.2	-178.8	176.8	178.6	175.6	2.1	112.2	S441	R439-S441 PolarHBondContact O-N 3.26Å
440	E	89.4	Confident	91.7	Very high	61 Å²	61	39.9 Å²	39.9	29%	0.285	20%	0.202	S	C	.	.			trans	-63.2	105.9	164.7	-175.3	165.2	177.7	0	0	110.3	Y470 T473 N475 H477	E440-Y470 HydrophobicContact CB-CD1 4.11Å; E440-Y470 HydrophobicContact CB-CD2 4.43Å; E440-Y470 HydrophobicContact CB-CG 4.02Å; E440-Y470 HydrophobicContact CG-CD1 4.33Å; E440-Y470 HydrophobicContact CG-CD2 3.79Å; E440-Y470 HydrophobicContact CG-CE2 4.16Å; E440-Y470 HydrophobicContact CG-CG 3.89Å; E440-T473 WeakPolarHBondContact OE2-CB 3.37Å; E440-T473 WeakPolarHBondContact OE2-CG2 3.23Å; E440-T473 PolarHBondContact OE2-OG1 2.94Å; E440-N475 VanDerWaalsContact OE1-CB 3.25Å; E440-N475 WeakPolarHBondContact OE1-CB 3.29Å; E440-N475 PolarHBondContact OE1-ND2 3.04Å; E440-N475 WeakPolarHBondContact OE2-CB 3.23Å; E440-N475 PolarHBondContact OE2-ND2 2.63Å; E440-H477 IonicContact OE1-CD2 3Å; E440-H477 IonicContact OE1-CE1 3.31Å; E440-H477 PolarHBondContact OE1-CE1 2.82Å; E440-H477 IonicContact OE1-NE2 2.69Å; E440-H477 PolarHBondContact OE1-NE2 3.24Å
441	S	87.5	Confident	91.9	Very high	55 Å²	55	38.8 Å²	38.8	39%	0.385	20%	0.195	S	C	.	.			trans	-113.1	-29.5	-174.5	67.4	0	0	0	0	113.6	R439 S443 H446 Y470	R439-S441 PolarHBondContact O-N 3.26Å; S441-S443 PolarHBondContact O-N 3.39Å; S441-S443 PolarHBondContact OG-N 2.89Å; S441-S443 PolarHBondContact OG-OG 3.01Å; S441-H446 PolarHBondContact OG-CE1 3.13Å; S441-H446 PolarHBondContact OG-ND1 3.03Å; S441-Y470 PolarHBondContact OG-OH 3.16Å
442	N	88.4	Confident	91.9	Very high	55 Å²	55	38.6 Å²	38.6	29%	0.294	19%	0.193	S	C	.	.			trans	43	34.7	-164.4	-156.7	-3	0	0	0	112.8	R447 Y470 H477	N442-R447 WeakPolarHBondContact O-CD 3.4Å; N442-R447 WeakPolarHBondContact OD1-CD 3.49Å; N442-R447 WeakPolarHBondContact OD1-CG 3.47Å; N442-Y470 WeakPolarHBondContact CA-OH 3.46Å; N442-Y470 PolarHBondContact N-OH 3.02Å; N442-H477 PolarHBondContact ND2-ND1 2.77Å
443	S	90.3	Very high	91.9	Very high	26 Å²	26	39.2 Å²	39.2	18%	0.182	20%	0.196	C	C	.	.			trans	-72.4	161.1	-168.5	74	0	0	0	0	112.4	S441 E445 H446 R447	S441-S443 PolarHBondContact O-N 3.39Å; S441-S443 PolarHBondContact OG-N 2.89Å; S441-S443 PolarHBondContact OG-OG 3.01Å; S443-E445 WeakPolarHBondContact CB-OE2 3.38Å; S443-E445 PolarHBondContact O-N 3.4Å; S443-E445 PolarHBondContact OG-OE2 2.9Å; S443-H446 PolarHBondContact O-N 3.09Å; S443-H446 VanDerWaalsContact O-N 3.16Å; S443-R447 WeakPolarHBondContact O-CG 3.3Å; S443-R447 PolarHBondContact O-N 2.87Å
444	I	90.9	Very high	91.8	Very high	114 Å²	114	39.4 Å²	39.4	59%	0.585	20%	0.197	S	C	*	.	H	α-helix	trans	-54.2	-42.7	-177.7	-57.8	176.7	0	0	0	110.3	I271 H446 R447 S448	I271-I444 HydrophobicContact CD1-CG2 4.19Å; I271-I444 HydrophobicContact CG2-CG2 4.37Å; I444-H446 PolarHBondContact O-N 3.29Å; I444-R447 PolarHBondContact O-N 3.44Å; I444-S448 WeakPolarHBondContact O-CB 3.34Å; I444-S448 PolarHBondContact O-N 2.83Å; I444-S448 PolarHBondContact O-OG 2.94Å
445	E	90.1	Very high	91.6	Very high	21 Å²	21	39 Å²	39	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-42.5	-177.7	-48.1	79.9	-177.3	0	0	112.3	R272 S443 S448 Q449	R272-E445 IonicContact CZ-OE1 3.91Å; R272-E445 IonicContact NE-OE1 3.64Å; R272-E445 PolarHBondContact NE-OE1 3.32Å; R272-E445 IonicContact NH2-OE1 3.16Å; R272-E445 PolarHBondContact NH2-OE1 2.77Å; R272-E445 IonicContact NH2-OE2 3.45Å; R272-E445 PolarHBondContact NH2-OE2 3.15Å; S443-E445 WeakPolarHBondContact CB-OE2 3.38Å; S443-E445 PolarHBondContact O-N 3.4Å; S443-E445 PolarHBondContact OG-OE2 2.9Å; E445-S448 PolarHBondContact O-N 2.84Å; E445-Q449 WeakPolarHBondContact O-CG 3.4Å; E445-Q449 PolarHBondContact O-N 3.04Å
446	H	92	Very high	91.5	Very high	41 Å²	41	39 Å²	39	19%	0.19	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-42.2	176.5	-67	-177.7	0	0	0	111	S441 S443 I444 Q449 V450 L468 Y470	S441-H446 PolarHBondContact OG-CE1 3.13Å; S441-H446 PolarHBondContact OG-ND1 3.03Å; S443-H446 PolarHBondContact O-N 3.09Å; S443-H446 VanDerWaalsContact O-N 3.16Å; I444-H446 PolarHBondContact O-N 3.29Å; H446-Q449 PolarHBondContact O-N 2.96Å; H446-V450 PolarHBondContact O-N 2.58Å; H446-L468 HydrophobicContact CB-CD1 4.35Å; H446-L468 HydrophobicContact CB-CD2 3.9Å; H446-Y470 AromaticContact ND1-CE1 3.76Å; H446-Y470 AromaticContact ND1-CZ 3.76Å; H446-Y470 PolarHBondContact ND1-OH 3.48Å
447	R	94.1	Very high	91.3	Very high	77 Å²	77	37.8 Å²	37.8	29%	0.291	19%	0.19	S	C	.	.	H	α-helix	trans	-64.9	-43.1	176.3	-65.2	177.9	60.8	71.7	8.9	111.6	N442 S443 I444 Q449 V450 I451 V479	N442-R447 WeakPolarHBondContact O-CD 3.4Å; N442-R447 WeakPolarHBondContact OD1-CD 3.49Å; N442-R447 WeakPolarHBondContact OD1-CG 3.47Å; S443-R447 WeakPolarHBondContact O-CG 3.3Å; S443-R447 PolarHBondContact O-N 2.87Å; I444-R447 PolarHBondContact O-N 3.44Å; R447-Q449 VanDerWaalsContact C-N 3.32Å; R447-Q449 PolarHBondContact O-N 2.89Å; R447-V450 PolarHBondContact O-N 3.31Å; R447-I451 WeakPolarHBondContact O-CD1 3.47Å; R447-I451 VanDerWaalsContact O-CG1 3.27Å; R447-I451 WeakPolarHBondContact O-CG1 3.16Å; R447-I451 PolarHBondContact O-N 2.97Å; R447-V479 HydrophobicContact CB-CG1 4.34Å
448	S	94.6	Very high	91.3	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-33.6	176.8	-65.2	0	0	0	0	113	I271 I444 E445 I451 L452	I271-S448 WeakPolarHBondContact CD1-OG 3.3Å; I444-S448 WeakPolarHBondContact O-CB 3.34Å; I444-S448 PolarHBondContact O-N 2.83Å; I444-S448 PolarHBondContact O-OG 2.94Å; E445-S448 PolarHBondContact O-N 2.84Å; S448-I451 PolarHBondContact O-N 3.14Å; S448-L452 WeakPolarHBondContact O-CB 3.33Å; S448-L452 WeakPolarHBondContact O-CD1 3.36Å; S448-L452 VanDerWaalsContact O-CG 3.26Å; S448-L452 WeakPolarHBondContact O-CG 3.5Å; S448-L452 PolarHBondContact O-N 3.25Å
449	Q	93.2	Very high	91.4	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-49.3	171.6	-72.9	165.1	11.7	0	0	110.8	S268 E434 E445 H446 R447 I451 L452 Y453	S268-Q449 WeakPolarHBondContact OG-CG 3.38Å; S268-Q449 PolarHBondContact OG-NE2 3.47Å; E434-Q449 PolarHBondContact OE1-OE1 3.28Å; E445-Q449 WeakPolarHBondContact O-CG 3.4Å; E445-Q449 PolarHBondContact O-N 3.04Å; H446-Q449 PolarHBondContact O-N 2.96Å; R447-Q449 VanDerWaalsContact C-N 3.32Å; R447-Q449 PolarHBondContact O-N 2.89Å; Q449-I451 VanDerWaalsContact C-N 3.32Å; Q449-I451 PolarHBondContact O-N 3.22Å; Q449-L452 PolarHBondContact O-N 2.93Å; Q449-L452 VanDerWaalsContact O-N 3.15Å; Q449-Y453 HydrophobicContact CB-CE2 4.25Å; Q449-Y453 WeakPolarHBondContact O-CD2 3.49Å; Q449-Y453 PolarHBondContact O-N 2.85Å
450	V	94.8	Very high	91.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-40	176.4	-175.1	0	0	0	0	112.4	E434 H446 R447 L452 Y453 T454 G466 L468 V479	E434-V450 HydrophobicContact CB-CG2 3.63Å; E434-V450 HydrophobicContact CG-CG2 4.29Å; H446-V450 PolarHBondContact O-N 2.58Å; R447-V450 PolarHBondContact O-N 3.31Å; V450-L452 VanDerWaalsContact C-N 3.34Å; V450-L452 PolarHBondContact O-N 3.17Å; V450-Y453 CarbonylContact O-C 3.53Å; V450-Y453 PolarHBondContact O-N 3.3Å; V450-T454 PolarHBondContact O-N 2.78Å; V450-G466 VanDerWaalsContact CG1-CA 3.5Å; V450-L468 HydrophobicContact CG2-CB 4.16Å; V450-L468 HydrophobicContact CG2-CD1 4.03Å; V450-V479 HydrophobicContact CB-CB 4.12Å; V450-V479 HydrophobicContact CB-CG1 4.2Å; V450-V479 HydrophobicContact CB-CG2 4.13Å; V450-V479 HydrophobicContact CG1-CB 3.77Å; V450-V479 HydrophobicContact CG1-CG1 4.26Å; V450-V479 HydrophobicContact CG1-CG2 4.06Å; V450-V479 HydrophobicContact CG2-CG2 4.31Å
451	I	95.1	Very high	91.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-35.3	177.1	-67.6	161.2	0	0	0	111.8	R447 S448 Q449 T454 L455 V479 A481 D485 L489	R447-I451 WeakPolarHBondContact O-CD1 3.47Å; R447-I451 VanDerWaalsContact O-CG1 3.27Å; R447-I451 WeakPolarHBondContact O-CG1 3.16Å; R447-I451 PolarHBondContact O-N 2.97Å; S448-I451 PolarHBondContact O-N 3.14Å; Q449-I451 VanDerWaalsContact C-N 3.32Å; Q449-I451 PolarHBondContact O-N 3.22Å; I451-T454 WeakPolarHBondContact CA-OG1 3.49Å; I451-T454 PolarHBondContact O-N 2.86Å; I451-T454 PolarHBondContact O-OG1 3.35Å; I451-L455 PolarHBondContact O-N 3.2Å; I451-L455 VanDerWaalsContact O-N 3.14Å; I451-V479 HydrophobicContact CD1-CG1 4.01Å; I451-V479 HydrophobicContact CG1-CG1 3.72Å; I451-A481 HydrophobicContact CB-CB 4.38Å; I451-A481 HydrophobicContact CG1-CB 3.96Å; I451-A481 HydrophobicContact CG2-CB 3.98Å; I451-D485 HydrophobicContact CD1-CB 4.09Å; I451-D485 HydrophobicContact CG2-CB 4.01Å; I451-L489 HydrophobicContact CB-CD1 4.03Å; I451-L489 HydrophobicContact CG2-CD1 3.6Å
452	L	95.2	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-72.2	-31.9	173.2	-72.2	160.1	0	0	0	111.8	G264 I267 L403 S448 Q449 V450 L455 M456 L489	G264-L452 WeakPolarHBondContact O-CD1 3.45Å; I267-L452 HydrophobicContact CB-CD1 3.91Å; I267-L452 HydrophobicContact CD1-CD1 4.31Å; I267-L452 HydrophobicContact CD1-CD2 4.23Å; I267-L452 HydrophobicContact CG2-CD1 3.92Å; L403-L452 HydrophobicContact CD1-CD2 3.78Å; L403-L452 HydrophobicContact CD2-CD2 4.08Å; S448-L452 WeakPolarHBondContact O-CB 3.33Å; S448-L452 WeakPolarHBondContact O-CD1 3.36Å; S448-L452 VanDerWaalsContact O-CG 3.26Å; S448-L452 WeakPolarHBondContact O-CG 3.5Å; S448-L452 PolarHBondContact O-N 3.25Å; Q449-L452 PolarHBondContact O-N 2.93Å; Q449-L452 VanDerWaalsContact O-N 3.15Å; V450-L452 VanDerWaalsContact C-N 3.34Å; V450-L452 PolarHBondContact O-N 3.17Å; L452-L455 HydrophobicContact CD2-CD1 4.37Å; L452-L455 PolarHBondContact O-N 3.18Å; L452-M456 HydrophobicContact CB-CE 4.24Å; L452-M456 VanDerWaalsContact O-CE 3.23Å; L452-M456 WeakPolarHBondContact O-CE 3.45Å; L452-M456 WeakPolarHBondContact O-CG 3.46Å; L452-M456 PolarHBondContact O-N 3.06Å; L452-L489 HydrophobicContact CD2-CB 4.24Å; L452-L489 HydrophobicContact CG-CD1 4.28Å
453	Y	94.6	Very high	91	Very high	14 Å²	14	33 Å²	33	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-70	-33.4	170	-64.3	-56.3	0	0	0	112.9	K406 I407 E434 Q449 V450 M456 S457	K406-Y453 PolarHBondContact O-OH 3.36Å; I407-Y453 HydrophobicContact CG1-CD1 3.62Å; I407-Y453 HydrophobicContact CG1-CE1 4.2Å; I407-Y453 HydrophobicContact CG1-CG 4.12Å; E434-Y453 HydrophobicContact CG-CE2 4.45Å; E434-Y453 WeakPolarHBondContact OE2-CE2 3.21Å; Q449-Y453 HydrophobicContact CB-CE2 4.25Å; Q449-Y453 WeakPolarHBondContact O-CD2 3.49Å; Q449-Y453 PolarHBondContact O-N 2.85Å; V450-Y453 CarbonylContact O-C 3.53Å; V450-Y453 PolarHBondContact O-N 3.3Å; Y453-M456 HydrophobicContact CD1-CE 3.56Å; Y453-M456 HydrophobicContact CE1-CE 3.94Å; Y453-M456 HydrophobicContact CG-CE 4.4Å; Y453-M456 PolarHBondContact O-N 3.02Å; Y453-S457 WeakPolarHBondContact O-CB 3.42Å; Y453-S457 PolarHBondContact O-N 3.35Å; Y453-S457 PolarHBondContact O-OG 3.35Å
454	T	93.7	Very high	90.5	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-40.4	171.7	47.8	0	0	0	0	111.5	P432 V450 I451 S457 M458 P463	P432-T454 HydrophobicContact CG-CG2 3.79Å; V450-T454 PolarHBondContact O-N 2.78Å; I451-T454 WeakPolarHBondContact CA-OG1 3.49Å; I451-T454 PolarHBondContact O-N 2.86Å; I451-T454 PolarHBondContact O-OG1 3.35Å; T454-S457 PolarHBondContact O-N 3.49Å; T454-M458 WeakPolarHBondContact O-CG 3.42Å; T454-M458 PolarHBondContact O-N 2.86Å; T454-P463 HydrophobicContact CG2-CB 4.31Å; T454-P463 HydrophobicContact CG2-CG 4.22Å
455	L	92.1	Very high	90.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-51.1	171.1	-80.6	171.8	0	0	0	112.6	F401 L403 I451 L452 S457 M458 H486 L490	F401-L455 HydrophobicContact CD1-CD2 4.28Å; F401-L455 HydrophobicContact CD2-CB 4.22Å; F401-L455 HydrophobicContact CD2-CD2 4.37Å; F401-L455 HydrophobicContact CE1-CD2 4.02Å; F401-L455 HydrophobicContact CE2-CD2 4.12Å; F401-L455 WeakPolarHBondContact CE2-O 3.37Å; F401-L455 HydrophobicContact CG-CD2 4.46Å; F401-L455 HydrophobicContact CZ-CD2 3.95Å; L403-L455 HydrophobicContact CD1-CB 4.2Å; L403-L455 HydrophobicContact CD1-CD1 4.48Å; I451-L455 PolarHBondContact O-N 3.2Å; I451-L455 VanDerWaalsContact O-N 3.14Å; L452-L455 HydrophobicContact CD2-CD1 4.37Å; L452-L455 PolarHBondContact O-N 3.18Å; L455-S457 PolarHBondContact O-N 3.18Å; L455-M458 HydrophobicContact CD2-SD 4.08Å; L455-M458 VanDerWaalsContact O-CB 3.29Å; L455-M458 WeakPolarHBondContact O-CB 3.44Å; L455-M458 PolarHBondContact O-N 3.26Å; L455-H486 HydrophobicContact CD1-CB 4.1Å; L455-H486 HydrophobicContact CD2-CB 4.16Å; L455-H486 HydrophobicContact CG-CB 4.44Å; L455-H486 VanDerWaalsContact CG-CD2 3.46Å; L455-H486 WeakPolarHBondContact CG-CD2 3.06Å; L455-L490 HydrophobicContact CD1-CD1 4.38Å; L455-L490 HydrophobicContact CD1-CD2 4.42Å; L455-L490 HydrophobicContact CD1-CG 4.26Å
456	M	91.9	Very high	90.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-34	178.4	-74.9	-178.2	-82.1	0	0	112.4	V396 L403 G405 L452 Y453 M458 E459	V396-M456 HydrophobicContact CB-CB 4.35Å; V396-M456 HydrophobicContact CG1-CB 3.96Å; V396-M456 WeakPolarHBondContact CG1-O 3.3Å; L403-M456 HydrophobicContact CB-CG 3.62Å; L403-M456 HydrophobicContact CB-SD 3.72Å; L403-M456 HydrophobicContact CD1-CG 3.88Å; L403-M456 HydrophobicContact CG-CG 4.41Å; G405-M456 PolarHBondContact N-SD 3.32Å; G405-M456 VanDerWaalsContact N-SD 3.36Å; L452-M456 HydrophobicContact CB-CE 4.24Å; L452-M456 VanDerWaalsContact O-CE 3.23Å; L452-M456 WeakPolarHBondContact O-CE 3.45Å; L452-M456 WeakPolarHBondContact O-CG 3.46Å; L452-M456 PolarHBondContact O-N 3.06Å; Y453-M456 HydrophobicContact CD1-CE 3.56Å; Y453-M456 HydrophobicContact CE1-CE 3.94Å; Y453-M456 HydrophobicContact CG-CE 4.4Å; Y453-M456 PolarHBondContact O-N 3.02Å; M456-M458 PolarHBondContact O-N 2.74Å; M456-E459 WeakPolarHBondContact O-CG 3.47Å; M456-E459 PolarHBondContact O-N 3.31Å
457	S	90.8	Very high	90.6	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-21	174.9	-62.4	0	0	0	0	113	Y453 T454 L455 E459 R460 Y461	Y453-S457 WeakPolarHBondContact O-CB 3.42Å; Y453-S457 PolarHBondContact O-N 3.35Å; Y453-S457 PolarHBondContact O-OG 3.35Å; T454-S457 PolarHBondContact O-N 3.49Å; L455-S457 PolarHBondContact O-N 3.18Å; S457-E459 PolarHBondContact O-N 2.93Å; S457-E459 VanDerWaalsContact O-N 3.11Å; S457-R460 PolarHBondContact O-N 2.84Å; S457-Y461 CarbonylContact O-C 3.51Å; S457-Y461 WeakPolarHBondContact O-CA 3.26Å; S457-Y461 PolarHBondContact O-N 3.47Å; S457-Y461 VanDerWaalsContact O-O 3.12Å
458	M	89.1	Confident	90.7	Very high	86 Å²	86	22.5 Å²	22.5	42%	0.424	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6	175.2	-64	175.3	66.1	0	0	114.1	R400 F401 T454 L455 M456 Y461	R400-M458 PolarHBondContact NH1-O 3.47Å; F401-M458 HydrophobicContact CE2-CB 4.3Å; F401-M458 HydrophobicContact CZ-SD 4.48Å; T454-M458 WeakPolarHBondContact O-CG 3.42Å; T454-M458 PolarHBondContact O-N 2.86Å; L455-M458 HydrophobicContact CD2-SD 4.08Å; L455-M458 VanDerWaalsContact O-CB 3.29Å; L455-M458 WeakPolarHBondContact O-CB 3.44Å; L455-M458 PolarHBondContact O-N 3.26Å; M456-M458 PolarHBondContact O-N 2.74Å; M458-Y461 WeakPolarHBondContact CA-O 3.37Å
459	E	86.3	Confident	90.7	Very high	39 Å²	39	22.1 Å²	22.1	18%	0.182	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.1	169.4	-55	-69.1	-154.4	0	0	112.7	S398 P399 R400 M456 S457	S398-E459 WeakPolarHBondContact CA-OE1 3.37Å; S398-E459 WeakPolarHBondContact CB-OE1 3.47Å; S398-E459 PolarHBondContact OG-OE1 2.89Å; P399-E459 WeakPolarHBondContact CD-OE1 3.44Å; R400-E459 WeakPolarHBondContact CD-OE2 3.43Å; R400-E459 IonicContact CZ-OE2 2.94Å; R400-E459 IonicContact NE-OE2 3.51Å; R400-E459 IonicContact NH1-OE2 3.66Å; R400-E459 PolarHBondContact NH1-OE2 2.96Å; M456-E459 WeakPolarHBondContact O-CG 3.47Å; M456-E459 PolarHBondContact O-N 3.31Å; S457-E459 PolarHBondContact O-N 2.93Å; S457-E459 VanDerWaalsContact O-N 3.11Å
460	R	85.5	Confident	90.9	Very high	39 Å²	39	21.5 Å²	21.5	15%	0.147	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-29.1	-172.1	-59.6	-174	179.9	159.4	6.2	114.1	E394 N395 S457 L663 I664	E394-R460 WeakPolarHBondContact OE1-CD 3.3Å; E394-R460 IonicContact OE1-CZ 3.4Å; E394-R460 IonicContact OE1-NE 4Å; E394-R460 IonicContact OE1-NH1 3.16Å; E394-R460 PolarHBondContact OE1-NH1 3.41Å; N395-R460 PolarHBondContact O-NH1 2.97Å; N395-R460 PolarHBondContact O-NH2 3.29Å; S457-R460 PolarHBondContact O-N 2.84Å; R460-L663 HydrophobicContact CG-CD2 3.95Å; R460-I664 PolarHBondContact NH2-O 3.01Å; R460-I664 VanDerWaalsContact NH2-O 3.07Å
461	Y	87.3	Confident	90.9	Very high	84 Å²	84	21.5 Å²	21.5	33%	0.329	11%	0.109	S	C	.	.			trans	-141.7	178.2	-168.9	-52.4	-56.2	0	0	0	110.9	T410 T430 S457 M458	T410-Y461 HydrophobicContact CG2-CE2 4.16Å; T430-Y461 HydrophobicContact CG2-CD1 4.12Å; T430-Y461 HydrophobicContact CG2-CD2 3.87Å; T430-Y461 HydrophobicContact CG2-CE1 4.17Å; T430-Y461 HydrophobicContact CG2-CE2 3.91Å; T430-Y461 HydrophobicContact CG2-CG 3.98Å; S457-Y461 CarbonylContact O-C 3.51Å; S457-Y461 WeakPolarHBondContact O-CA 3.26Å; S457-Y461 PolarHBondContact O-N 3.47Å; S457-Y461 VanDerWaalsContact O-O 3.12Å; M458-Y461 WeakPolarHBondContact CA-O 3.37Å
462	S	85.6	Confident	90.8	Very high	91 Å²	91	25.1 Å²	25.1	64%	0.636	13%	0.125	S	C	*	.			trans	-129	65.6	176.8	50.1	0	0	0	0	112.2
463	P	83.8	Confident	90.6	Very high	23 Å²	23	27.9 Å²	27.9	15%	0.149	14%	0.142	C	C	.	.			trans	-69.2	141.6	-177.3	30.5	-36.5	0	0	0	112.4	V431 T454	V431-P463 HydrophobicContact CG1-CB 4.23Å; T454-P463 HydrophobicContact CG2-CB 4.31Å; T454-P463 HydrophobicContact CG2-CG 4.22Å
464	E	79.8	Confident	90.5	Very high	59 Å²	59	27.4 Å²	27.4	28%	0.276	14%	0.141	S	C	.	.	S	Bend	trans	-95.4	-21.6	171.7	-63.4	-174.2	178.7	0	0	113	R417 K429	R417-E464 IonicContact CZ-OE1 3.72Å; R417-E464 IonicContact CZ-OE2 2.82Å; R417-E464 IonicContact NH1-OE1 3.65Å; R417-E464 IonicContact NH2-OE1 3.09Å; R417-E464 PolarHBondContact NH2-OE1 3.4Å; R417-E464 IonicContact NH2-OE2 3.99Å; R417-E464 PolarHBondContact NH2-OE2 2.71Å; K429-E464 HydrophobicContact CD-CG 4.12Å; K429-E464 IonicContact NZ-OE1 2.73Å; K429-E464 PolarHBondContact NZ-OE1 3.49Å
465	I	88.8	Confident	90.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.9	177.6	63.5	169.7	0	0	0	108.5	F384 V431 L467 P478 V479 A480	F384-I465 HydrophobicContact CB-CD1 4.46Å; F384-I465 HydrophobicContact CD1-CD1 3.49Å; F384-I465 VanDerWaalsContact CD1-CD1 3.49Å; F384-I465 HydrophobicContact CD1-CG1 4.2Å; F384-I465 HydrophobicContact CD2-CD1 4.41Å; F384-I465 HydrophobicContact CE1-CD1 3.7Å; F384-I465 HydrophobicContact CE1-CG1 4.01Å; F384-I465 HydrophobicContact CE1-CG2 4.2Å; F384-I465 HydrophobicContact CG-CD1 3.89Å; F384-I465 HydrophobicContact CZ-CD1 4.26Å; F384-I465 HydrophobicContact CZ-CG2 4.06Å; V431-I465 WeakPolarHBondContact CB-O 3.43Å; V431-I465 HydrophobicContact CG1-CG1 4.27Å; V431-I465 WeakPolarHBondContact CG1-O 3.15Å; I465-L467 HydrophobicContact CD1-CD2 3.91Å; I465-P478 HydrophobicContact CD1-CB 4.48Å; I465-V479 WeakPolarHBondContact CA-O 3.4Å; I465-A480 HydrophobicContact CG2-CB 4.14Å
466	G	92.9	Very high	90.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	173.8	151.1	0	0	0	0	0	110.9	P432 V450 V479	P432-G466 CarbonylContact O-C 3.51Å; P432-G466 WeakPolarHBondContact O-CA 3.48Å; V450-G466 VanDerWaalsContact CG1-CA 3.5Å; G466-V479 PolarHBondContact N-O 3.17Å; G466-V479 PolarHBondContact O-N 2.82Å
467	L	94.3	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.8	179.8	-61.2	175.2	0	0	0	110.6	I371 V413 V431 P432 L433 E434 I465 M476	I371-L467 HydrophobicContact CD1-CD1 4.3Å; I371-L467 HydrophobicContact CD1-CD2 4.05Å; I371-L467 HydrophobicContact CG2-CD2 4.35Å; V413-L467 HydrophobicContact CG2-CD1 4.12Å; V431-L467 HydrophobicContact CG2-CD1 4.05Å; V431-L467 HydrophobicContact CG2-CG 4.19Å; P432-L467 PolarHBondContact O-N 2.87Å; L433-L467 HydrophobicContact CB-CB 4.25Å; L433-L467 HydrophobicContact CD1-CB 3.61Å; E434-L467 PolarHBondContact N-O 3.26Å; I465-L467 HydrophobicContact CD1-CD2 3.91Å; L467-M476 HydrophobicContact CB-CG 4.49Å; L467-M476 HydrophobicContact CB-SD 4.4Å; L467-M476 HydrophobicContact CD1-SD 4.03Å
468	L	95	Very high	90.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.6	179.1	-177.7	63.5	0	0	0	109.7	E434 K436 H446 V450 Y470 M476 H477 V479	E434-L468 HydrophobicContact CB-CD1 4Å; E434-L468 HydrophobicContact CG-CD1 3.95Å; K436-L468 HydrophobicContact CG-CD1 3.71Å; H446-L468 HydrophobicContact CB-CD1 4.35Å; H446-L468 HydrophobicContact CB-CD2 3.9Å; V450-L468 HydrophobicContact CG2-CB 4.16Å; V450-L468 HydrophobicContact CG2-CD1 4.03Å; L468-Y470 HydrophobicContact CD2-CE2 3.94Å; L468-Y470 HydrophobicContact CG-CE2 3.97Å; L468-M476 WeakPolarHBondContact O-CA 3.44Å; L468-H477 HydrophobicContact CB-CB 4.45Å; L468-H477 PolarHBondContact N-O 3.44Å; L468-H477 PolarHBondContact O-N 2.94Å; L468-V479 HydrophobicContact CB-CG2 4.07Å
469	L	95.4	Very high	90.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	-176.8	173.1	59.9	0	0	0	111.7	F303 W358 L433 E434 L435 K436 L471 G474 M476	F303-L469 HydrophobicContact CE2-CD2 3.72Å; F303-L469 HydrophobicContact CZ-CD2 3.81Å; W358-L469 VanDerWaalsContact CD1-CD1 3.5Å; W358-L469 HydrophobicContact CD2-CD2 3.86Å; W358-L469 HydrophobicContact CE3-CD2 4.41Å; W358-L469 HydrophobicContact CG-CD1 4.07Å; W358-L469 HydrophobicContact CG-CD2 4.21Å; W358-L469 HydrophobicContact CZ2-CD2 3.96Å; L433-L469 HydrophobicContact CD1-CB 3.85Å; E434-L469 PolarHBondContact O-N 3.25Å; L435-L469 HydrophobicContact CD2-CB 4.15Å; L435-L469 HydrophobicContact CD2-CD2 4.02Å; L435-L469 HydrophobicContact CD2-CG 4.47Å; K436-L469 PolarHBondContact N-O 3.14Å; L469-L471 HydrophobicContact CD2-CD2 3.86Å; L469-L471 HydrophobicContact CG-CD2 4Å; L469-G474 WeakPolarHBondContact CD1-O 3.44Å; L469-M476 HydrophobicContact CD1-CB 4.15Å
470	Y	96	Very high	90.3	Very high	1 Å²	1	30 Å²	30	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	103.1	172.1	-70.7	-84.1	0	0	0	110.7	K436 E440 S441 N442 H446 L468 K472 T473 G474 N475 H477	K436-Y470 HydrophobicContact CB-CD1 3.77Å; K436-Y470 HydrophobicContact CB-CE1 3.73Å; K436-Y470 HydrophobicContact CG-CE1 4.29Å; K436-Y470 CarbonylContact O-C 3.56Å; K436-Y470 WeakPolarHBondContact O-CA 3.42Å; E440-Y470 HydrophobicContact CB-CD1 4.11Å; E440-Y470 HydrophobicContact CB-CD2 4.43Å; E440-Y470 HydrophobicContact CB-CG 4.02Å; E440-Y470 HydrophobicContact CG-CD1 4.33Å; E440-Y470 HydrophobicContact CG-CD2 3.79Å; E440-Y470 HydrophobicContact CG-CE2 4.16Å; E440-Y470 HydrophobicContact CG-CG 3.89Å; S441-Y470 PolarHBondContact OG-OH 3.16Å; N442-Y470 WeakPolarHBondContact CA-OH 3.46Å; N442-Y470 PolarHBondContact N-OH 3.02Å; H446-Y470 AromaticContact ND1-CE1 3.76Å; H446-Y470 AromaticContact ND1-CZ 3.76Å; H446-Y470 PolarHBondContact ND1-OH 3.48Å; L468-Y470 HydrophobicContact CD2-CE2 3.94Å; L468-Y470 HydrophobicContact CG-CE2 3.97Å; Y470-K472 PolarHBondContact O-N 3.2Å; Y470-K472 VanDerWaalsContact O-N 3.11Å; Y470-T473 WeakPolarHBondContact CB-OG1 3.22Å; Y470-T473 PolarHBondContact O-N 3.15Å; Y470-T473 PolarHBondContact O-OG1 3.48Å; Y470-G474 PolarHBondContact O-N 2.83Å; Y470-N475 PolarHBondContact N-O 3.43Å; Y470-H477 AromaticContact CD2-CD2 3.86Å; Y470-H477 AromaticContact CE2-CD2 3.94Å
471	L	95.6	Very high	90.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.3	-172.8	-62.4	-177.1	0	0	0	113.5	V299 F303 Y351 S354 L355 L435 K436 T437 L469	V299-L471 HydrophobicContact CB-CD1 4.29Å; V299-L471 HydrophobicContact CG1-CB 4.11Å; V299-L471 HydrophobicContact CG1-CD1 3.69Å; F303-L471 HydrophobicContact CD2-CD2 3.64Å; F303-L471 HydrophobicContact CE2-CD2 3.93Å; F303-L471 HydrophobicContact CG-CD2 4.22Å; Y351-L471 HydrophobicContact CD1-CB 4.02Å; Y351-L471 HydrophobicContact CE1-CB 4.36Å; S354-L471 WeakPolarHBondContact CB-O 3.04Å; L355-L471 HydrophobicContact CD2-CB 4.03Å; L355-L471 HydrophobicContact CD2-CD2 3.78Å; L355-L471 HydrophobicContact CD2-CG 4.44Å; L435-L471 HydrophobicContact CB-CD1 4.1Å; L435-L471 HydrophobicContact CB-CD2 4.46Å; L435-L471 HydrophobicContact CB-CG 4.3Å; L435-L471 HydrophobicContact CD1-CD1 4.43Å; L435-L471 HydrophobicContact CD2-CD2 4.24Å; K436-L471 PolarHBondContact O-N 3.09Å; T437-L471 HydrophobicContact CG2-CB 4.26Å; T437-L471 HydrophobicContact CG2-CD1 3.82Å; T437-L471 HydrophobicContact CG2-CG 4.42Å; L469-L471 HydrophobicContact CD2-CD2 3.86Å; L469-L471 HydrophobicContact CG-CD2 4Å
472	K	92.6	Very high	90	Very high	81 Å²	81	27 Å²	27	35%	0.352	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.6	178	-168	152.1	-171.6	156.9	0	114.3	E350 Y351 S354 Y470	E350-K472 IonicContact OE2-NZ 2.72Å; E350-K472 PolarHBondContact OE2-NZ 3.16Å; Y351-K472 HydrophobicContact CD1-CB 3.99Å; Y351-K472 HydrophobicContact CE1-CB 3.55Å; Y351-K472 HydrophobicContact CE1-CD 4.27Å; Y351-K472 HydrophobicContact CE1-CG 4.18Å; Y351-K472 HydrophobicContact CE2-CD 4.38Å; S354-K472 PolarHBondContact OG-O 2.93Å; Y470-K472 PolarHBondContact O-N 3.2Å; Y470-K472 VanDerWaalsContact O-N 3.11Å
473	T	92.5	Very high	90.1	Very high	59 Å²	59	25.2 Å²	25.2	36%	0.362	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-14.4	-177.5	54.4	0	0	0	0	113.2	E440 Y470 N475	E440-T473 WeakPolarHBondContact OE2-CB 3.37Å; E440-T473 WeakPolarHBondContact OE2-CG2 3.23Å; E440-T473 PolarHBondContact OE2-OG1 2.94Å; Y470-T473 WeakPolarHBondContact CB-OG1 3.22Å; Y470-T473 PolarHBondContact O-N 3.15Å; Y470-T473 PolarHBondContact O-OG1 3.48Å; T473-N475 PolarHBondContact O-N 3.38Å; T473-N475 PolarHBondContact OG1-N 3.41Å
474	G	90.9	Very high	90.5	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-0.7	-171.2	0	0	0	0	0	113.7	W358 L469 Y470 M476	W358-G474 VanDerWaalsContact CD1-O 3.29Å; L469-G474 WeakPolarHBondContact CD1-O 3.44Å; Y470-G474 PolarHBondContact O-N 2.83Å; G474-M476 PolarHBondContact O-N 2.96Å
475	N	91.4	Very high	91	Very high	67 Å²	67	28.4 Å²	28.4	36%	0.358	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.5	-175.7	-75.5	-36.6	0	0	0	111.6	E440 Y470 T473	E440-N475 VanDerWaalsContact OE1-CB 3.25Å; E440-N475 WeakPolarHBondContact OE1-CB 3.29Å; E440-N475 PolarHBondContact OE1-ND2 3.04Å; E440-N475 WeakPolarHBondContact OE2-CB 3.23Å; E440-N475 PolarHBondContact OE2-ND2 2.63Å; Y470-N475 PolarHBondContact N-O 3.43Å; T473-N475 PolarHBondContact O-N 3.38Å; T473-N475 PolarHBondContact OG1-N 3.41Å
476	M	91.5	Very high	91.2	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.4	178.6	-173.6	163.8	50.2	0	0	111.4	W358 Y362 I371 L386 L433 L467 L468 L469 G474	W358-M476 HydrophobicContact CZ2-SD 4.38Å; Y362-M476 HydrophobicContact CD1-CE 3.28Å; Y362-M476 HydrophobicContact CD2-CE 3.95Å; Y362-M476 HydrophobicContact CE1-CE 3.55Å; Y362-M476 HydrophobicContact CE2-CB 4.45Å; Y362-M476 HydrophobicContact CE2-CE 4.17Å; Y362-M476 HydrophobicContact CG-CE 3.48Å; Y362-M476 VanDerWaalsContact CG-CE 3.48Å; I371-M476 HydrophobicContact CD1-CE 3.56Å; I371-M476 HydrophobicContact CD1-SD 4.34Å; I371-M476 HydrophobicContact CG1-CE 4.01Å; L386-M476 HydrophobicContact CD2-CE 4.49Å; L433-M476 HydrophobicContact CD1-SD 4.34Å; L467-M476 HydrophobicContact CB-CG 4.49Å; L467-M476 HydrophobicContact CB-SD 4.4Å; L467-M476 HydrophobicContact CD1-SD 4.03Å; L468-M476 WeakPolarHBondContact O-CA 3.44Å; L469-M476 HydrophobicContact CD1-CB 4.15Å; G474-M476 PolarHBondContact O-N 2.96Å
477	H	91	Very high	91.3	Very high	45 Å²	45	29.7 Å²	29.7	21%	0.208	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.8	-176.3	-65.8	-99.6	0	0	0	111.1	E440 N442 L468 Y470	E440-H477 IonicContact OE1-CD2 3Å; E440-H477 IonicContact OE1-CE1 3.31Å; E440-H477 PolarHBondContact OE1-CE1 2.82Å; E440-H477 IonicContact OE1-NE2 2.69Å; E440-H477 PolarHBondContact OE1-NE2 3.24Å; N442-H477 PolarHBondContact ND2-ND1 2.77Å; L468-H477 HydrophobicContact CB-CB 4.45Å; L468-H477 PolarHBondContact N-O 3.44Å; L468-H477 PolarHBondContact O-N 2.94Å; Y470-H477 AromaticContact CD2-CD2 3.86Å; Y470-H477 AromaticContact CE2-CD2 3.94Å
478	P	90.5	Very high	91.3	Very high	32 Å²	32	33.2 Å²	33.2	21%	0.208	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.4	170.5	29.8	-32.2	0	0	0	111.1	I371 I465	I371-P478 HydrophobicContact CG2-CB 3.91Å; I371-P478 HydrophobicContact CG2-CG 3.94Å; I465-P478 HydrophobicContact CD1-CB 4.48Å
479	V	90.8	Very high	91.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	91.7	173.9	-170.4	0	0	0	0	108.1	R447 V450 I451 I465 G466 L468	R447-V479 HydrophobicContact CB-CG1 4.34Å; V450-V479 HydrophobicContact CB-CB 4.12Å; V450-V479 HydrophobicContact CB-CG1 4.2Å; V450-V479 HydrophobicContact CB-CG2 4.13Å; V450-V479 HydrophobicContact CG1-CB 3.77Å; V450-V479 HydrophobicContact CG1-CG1 4.26Å; V450-V479 HydrophobicContact CG1-CG2 4.06Å; V450-V479 HydrophobicContact CG2-CG2 4.31Å; I451-V479 HydrophobicContact CD1-CG1 4.01Å; I451-V479 HydrophobicContact CG1-CG1 3.72Å; I465-V479 WeakPolarHBondContact CA-O 3.4Å; G466-V479 PolarHBondContact N-O 3.17Å; G466-V479 PolarHBondContact O-N 2.82Å; L468-V479 HydrophobicContact CB-CG2 4.07Å
480	A	85.8	Confident	91.4	Very high	32 Å²	32	33.5 Å²	33.5	26%	0.264	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.4	164.1	0	0	0	0	0	109.5	I465	I465-A480 HydrophobicContact CG2-CB 4.14Å
481	A	81.3	Confident	91.4	Very high	29 Å²	29	35.1 Å²	35.1	24%	0.24	19%	0.194	C	C	.	.			trans	-115.4	123.2	-179.6	0	0	0	0	0	110.2	I451 H486	I451-A481 HydrophobicContact CB-CB 4.38Å; I451-A481 HydrophobicContact CG1-CB 3.96Å; I451-A481 HydrophobicContact CG2-CB 3.98Å; A481-H486 WeakPolarHBondContact CB-NE2 3.49Å
482	G	84	Confident	91.4	Very high	32 Å²	32	37.4 Å²	37.4	33%	0.33	21%	0.206	S	C	.	.			trans	-96.2	166.8	175.3	0	0	0	0	0	113.1	M484 D485 H486	G482-M484 PolarHBondContact O-N 2.85Å; G482-D485 WeakPolarHBondContact CA-OD2 3.32Å; G482-D485 PolarHBondContact N-OD2 3.14Å; G482-D485 PolarHBondContact O-N 2.96Å; G482-D485 VanDerWaalsContact O-N 3.08Å; G482-H486 PolarHBondContact O-N 2.82Å; G482-H486 VanDerWaalsContact O-N 3.15Å
483	H	88.9	Confident	91.6	Very high	53 Å²	53	33.5 Å²	33.5	25%	0.245	19%	0.189	C	C	.	.	H	α-helix	trans	-52.2	-42.2	172.8	-175.1	-99.4	0	0	0	111.9	R249 E250 R251 F253 D485 H486 R487	R249-H483 PolarHBondContact O-CE1 2.94Å; R249-H483 VanDerWaalsContact O-CE1 3.31Å; R249-H483 PolarHBondContact O-ND1 3.24Å; E250-H483 PolarHBondContact O-CE1 3.48Å; R251-H483 PolarHBondContact N-CE1 2.68Å; F253-H483 AromaticContact CE1-CD2 3.77Å; F253-H483 AromaticContact CE1-NE2 3.54Å; F253-H483 AromaticContact CZ-CD2 3.49Å; F253-H483 VanDerWaalsContact CZ-CD2 3.49Å; F253-H483 WeakPolarHBondContact CZ-CD2 3.4Å; F253-H483 AromaticContact CZ-NE2 3.62Å; H483-D485 PolarHBondContact O-N 3.48Å; H483-H486 PolarHBondContact O-N 3.4Å; H483-R487 WeakPolarHBondContact O-CB 3.46Å; H483-R487 PolarHBondContact O-N 2.94Å
484	M	91	Very high	91.8	Very high	75 Å²	75	30.7 Å²	30.7	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-63	-38.4	178.1	-73.5	-65.9	-70.1	0	0	113.5	R249 G482 R487 E488	R249-M484 HydrophobicContact CG-SD 3.9Å; G482-M484 PolarHBondContact O-N 2.85Å; M484-R487 VanDerWaalsContact CE-NH1 3.3Å; M484-R487 PolarHBondContact O-N 2.87Å; M484-R487 PolarHBondContact SD-NH1 2.93Å; M484-R487 VanDerWaalsContact SD-NH1 3.4Å; M484-E488 PolarHBondContact O-N 2.82Å
485	D	91.7	Very high	92	Very high	73 Å²	73	32.2 Å²	32.2	39%	0.39	18%	0.182	S	C	.	.	H	α-helix	trans	-68.1	-44.8	177.7	-55.3	-70.8	0	0	0	110.8	I451 G482 H483 L489	I451-D485 HydrophobicContact CD1-CB 4.09Å; I451-D485 HydrophobicContact CG2-CB 4.01Å; G482-D485 WeakPolarHBondContact CA-OD2 3.32Å; G482-D485 PolarHBondContact N-OD2 3.14Å; G482-D485 PolarHBondContact O-N 2.96Å; G482-D485 VanDerWaalsContact O-N 3.08Å; H483-D485 PolarHBondContact O-N 3.48Å; D485-L489 WeakPolarHBondContact O-CB 3.44Å; D485-L489 WeakPolarHBondContact O-CD1 3.49Å; D485-L489 VanDerWaalsContact O-CG 3.29Å; D485-L489 WeakPolarHBondContact O-CG 3.26Å; D485-L489 PolarHBondContact O-N 3.32Å; D485-L489 VanDerWaalsContact O-N 3.14Å
486	H	93.1	Very high	92.1	Very high	23 Å²	23	29 Å²	29	11%	0.106	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-47.7	173.9	-64.6	164.2	0	0	0	111.5	F253 L455 A481 G482 H483 L489 L490	F253-H486 HydrophobicContact CE1-CB 3.78Å; F253-H486 HydrophobicContact CZ-CB 3.73Å; L455-H486 HydrophobicContact CD1-CB 4.1Å; L455-H486 HydrophobicContact CD2-CB 4.16Å; L455-H486 HydrophobicContact CG-CB 4.44Å; L455-H486 VanDerWaalsContact CG-CD2 3.46Å; L455-H486 WeakPolarHBondContact CG-CD2 3.06Å; A481-H486 WeakPolarHBondContact CB-NE2 3.49Å; G482-H486 PolarHBondContact O-N 2.82Å; G482-H486 VanDerWaalsContact O-N 3.15Å; H483-H486 PolarHBondContact O-N 3.4Å; H486-L489 PolarHBondContact O-N 3.37Å; H486-L490 WeakPolarHBondContact O-CB 3.21Å; H486-L490 VanDerWaalsContact O-CG 3.28Å; H486-L490 WeakPolarHBondContact O-CG 3.32Å; H486-L490 PolarHBondContact O-N 2.88Å
487	R	94.3	Very high	92.2	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-51.1	-179.5	166.7	170.5	160	-64.8	-18.5	112.3	D221 W223 F253 H483 M484 L490 K491	D221-R487 PolarHBondContact O-NH2 2.95Å; W223-R487 HydrophobicContact CH2-CG 4.37Å; W223-R487 HydrophobicContact CZ2-CB 4.03Å; W223-R487 HydrophobicContact CZ2-CG 3.53Å; F253-R487 HydrophobicContact CD1-CB 4.43Å; F253-R487 HydrophobicContact CE1-CB 4.11Å; H483-R487 WeakPolarHBondContact O-CB 3.46Å; H483-R487 PolarHBondContact O-N 2.94Å; M484-R487 VanDerWaalsContact CE-NH1 3.3Å; M484-R487 PolarHBondContact O-N 2.87Å; M484-R487 PolarHBondContact SD-NH1 2.93Å; M484-R487 VanDerWaalsContact SD-NH1 3.4Å; R487-L490 PolarHBondContact O-N 2.89Å; R487-K491 HydrophobicContact CG-CD 4.13Å; R487-K491 VanDerWaalsContact O-CG 3.3Å; R487-K491 WeakPolarHBondContact O-CG 3.43Å; R487-K491 PolarHBondContact O-N 3.45Å
488	E	94.6	Very high	92.3	Very high	73 Å²	73	27.5 Å²	27.5	34%	0.341	16%	0.158	S	C	.	.	H	α-helix	trans	-70	-34.2	-179.1	-64.6	-60.3	163.1	0	0	112.8	M484 K491 L492	M484-E488 PolarHBondContact O-N 2.82Å; E488-K491 VanDerWaalsContact CD-NZ 3.27Å; E488-K491 PolarHBondContact O-N 2.7Å; E488-K491 IonicContact OE1-NZ 3.39Å; E488-K491 PolarHBondContact OE1-NZ 3Å; E488-K491 VanDerWaalsContact OE2-CE 3.29Å; E488-K491 WeakPolarHBondContact OE2-CE 3.03Å; E488-K491 IonicContact OE2-NZ 3.39Å; E488-K491 PolarHBondContact OE2-NZ 2.78Å; E488-L492 WeakPolarHBondContact O-CG 3.45Å; E488-L492 PolarHBondContact O-N 3.11Å
489	L	95.9	Very high	92.3	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-71.3	-34.4	175.7	-69.2	168.5	0	0	0	112.8	I267 I271 I451 L452 D485 H486 L492 R493	I267-L489 HydrophobicContact CG2-CD2 4.33Å; I271-L489 HydrophobicContact CD1-CD2 4.09Å; I451-L489 HydrophobicContact CB-CD1 4.03Å; I451-L489 HydrophobicContact CG2-CD1 3.6Å; L452-L489 HydrophobicContact CD2-CB 4.24Å; L452-L489 HydrophobicContact CG-CD1 4.28Å; D485-L489 WeakPolarHBondContact O-CB 3.44Å; D485-L489 WeakPolarHBondContact O-CD1 3.49Å; D485-L489 VanDerWaalsContact O-CG 3.29Å; D485-L489 WeakPolarHBondContact O-CG 3.26Å; D485-L489 PolarHBondContact O-N 3.32Å; D485-L489 VanDerWaalsContact O-N 3.14Å; H486-L489 PolarHBondContact O-N 3.37Å; L489-L492 HydrophobicContact CD2-CD1 4.39Å; L489-R493 WeakPolarHBondContact O-CB 3.4Å; L489-R493 PolarHBondContact O-N 3.31Å
490	L	96.3	Very high	92.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.1	-36.9	173.1	-71.4	172.3	0	0	0	112.1	W223 F253 F401 L455 H486 R487 R493 N494	W223-L490 HydrophobicContact CH2-CB 4.33Å; F253-L490 HydrophobicContact CB-CD1 3.86Å; F253-L490 HydrophobicContact CD1-CD1 3.67Å; F253-L490 HydrophobicContact CD2-CD1 4.21Å; F253-L490 HydrophobicContact CE1-CD1 4.27Å; F253-L490 HydrophobicContact CG-CD1 3.65Å; F401-L490 HydrophobicContact CB-CD2 4.11Å; F401-L490 HydrophobicContact CD1-CD1 4.04Å; F401-L490 HydrophobicContact CD1-CD2 4.27Å; L455-L490 HydrophobicContact CD1-CD1 4.38Å; L455-L490 HydrophobicContact CD1-CD2 4.42Å; L455-L490 HydrophobicContact CD1-CG 4.26Å; H486-L490 WeakPolarHBondContact O-CB 3.21Å; H486-L490 VanDerWaalsContact O-CG 3.28Å; H486-L490 WeakPolarHBondContact O-CG 3.32Å; H486-L490 PolarHBondContact O-N 2.88Å; R487-L490 PolarHBondContact O-N 2.89Å; L490-R493 PolarHBondContact O-N 3Å; L490-N494 VanDerWaalsContact O-CG 3.24Å; L490-N494 PolarHBondContact O-N 3.17Å
491	K	95.6	Very high	92.2	Very high	35 Å²	35	30.1 Å²	30.1	15%	0.152	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-48.9	169.7	-73.5	165.6	59.7	-167.7	0	111.5	G222 W223 R487 E488 R493 N494 S495	G222-K491 WeakPolarHBondContact O-CE 3.24Å; G222-K491 PolarHBondContact O-NZ 3.17Å; W223-K491 HydrophobicContact CD2-CD 4.21Å; W223-K491 HydrophobicContact CD2-CG 4.13Å; W223-K491 HydrophobicContact CE3-CD 4.15Å; W223-K491 HydrophobicContact CE3-CG 3.57Å; W223-K491 HydrophobicContact CH2-CG 4.12Å; W223-K491 HydrophobicContact CZ3-CD 4.43Å; W223-K491 HydrophobicContact CZ3-CG 3.55Å; R487-K491 HydrophobicContact CG-CD 4.13Å; R487-K491 VanDerWaalsContact O-CG 3.3Å; R487-K491 WeakPolarHBondContact O-CG 3.43Å; R487-K491 PolarHBondContact O-N 3.45Å; E488-K491 VanDerWaalsContact CD-NZ 3.27Å; E488-K491 PolarHBondContact O-N 2.7Å; E488-K491 IonicContact OE1-NZ 3.39Å; E488-K491 PolarHBondContact OE1-NZ 3Å; E488-K491 VanDerWaalsContact OE2-CE 3.29Å; E488-K491 WeakPolarHBondContact OE2-CE 3.03Å; E488-K491 IonicContact OE2-NZ 3.39Å; E488-K491 PolarHBondContact OE2-NZ 2.78Å; K491-R493 VanDerWaalsContact C-N 3.3Å; K491-R493 PolarHBondContact O-N 2.95Å; K491-N494 PolarHBondContact O-N 2.88Å; K491-N494 VanDerWaalsContact O-N 3.16Å; K491-S495 PolarHBondContact O-N 2.95Å; K491-S495 PolarHBondContact O-OG 3.36Å
492	L	95.8	Very high	92.4	Very high	47 Å²	47	31.9 Å²	31.9	25%	0.246	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-37.6	174.6	-75.6	170.4	0	0	0	112.8	I267 I271 M274 E488 L489 L496	I267-L492 HydrophobicContact CG2-CB 4.36Å; I271-L492 HydrophobicContact CG1-CD1 3.85Å; M274-L492 HydrophobicContact CE-CD2 3.66Å; E488-L492 WeakPolarHBondContact O-CG 3.45Å; E488-L492 PolarHBondContact O-N 3.11Å; L489-L492 HydrophobicContact CD2-CD1 4.39Å; L492-L496 VanDerWaalsContact O-CB 3.3Å; L492-L496 WeakPolarHBondContact O-CB 3.03Å; L492-L496 PolarHBondContact O-N 2.88Å
493	R	96.5	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-41.1	174.3	-179.9	-110.7	163.2	-120.1	0	112	L256 Q257 S260 I267 F401 G402 L403 L489 L490 K491 L496 V497	L256-R493 PolarHBondContact O-NH1 3.39Å; Q257-R493 PolarHBondContact O-NH2 2.78Å; S260-R493 PolarHBondContact O-NH2 3.37Å; I267-R493 HydrophobicContact CD1-CB 3.84Å; I267-R493 HydrophobicContact CD1-CG 3.7Å; I267-R493 HydrophobicContact CG1-CB 4.01Å; I267-R493 HydrophobicContact CG1-CG 4.17Å; I267-R493 HydrophobicContact CG2-CB 4.45Å; F401-R493 WeakPolarHBondContact O-CD 3.32Å; F401-R493 PolarHBondContact O-NE 3.22Å; G402-R493 PolarHBondContact O-NE 2.63Å; L403-R493 HydrophobicContact CD2-CG 4.02Å; L489-R493 WeakPolarHBondContact O-CB 3.4Å; L489-R493 PolarHBondContact O-N 3.31Å; L490-R493 PolarHBondContact O-N 3Å; K491-R493 VanDerWaalsContact C-N 3.3Å; K491-R493 PolarHBondContact O-N 2.95Å; R493-L496 PolarHBondContact O-N 3.37Å; R493-V497 WeakPolarHBondContact O-CG2 3.48Å; R493-V497 PolarHBondContact O-N 3.36Å
494	N	96.5	Very high	92.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-45.7	176.3	-68.5	-16.7	0	0	0	112	T226 L254 L256 L490 K491 L496 V497 H498	T226-N494 HydrophobicContact CG2-CB 3.83Å; L254-N494 PolarHBondContact O-ND2 3.21Å; L256-N494 HydrophobicContact CB-CB 3.96Å; L256-N494 PolarHBondContact N-OD1 3.32Å; L490-N494 VanDerWaalsContact O-CG 3.24Å; L490-N494 PolarHBondContact O-N 3.17Å; K491-N494 PolarHBondContact O-N 2.88Å; K491-N494 VanDerWaalsContact O-N 3.16Å; N494-L496 VanDerWaalsContact C-N 3.34Å; N494-L496 PolarHBondContact O-N 3.43Å; N494-V497 PolarHBondContact O-N 3.44Å; N494-H498 WeakPolarHBondContact O-CB 3.4Å; N494-H498 PolarHBondContact O-N 3.04Å
495	S	95.5	Very high	92	Very high	35 Å²	35	29.7 Å²	29.7	25%	0.245	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-43.2	174	-56.8	0	0	0	0	112	K491 H498 H499	K491-S495 PolarHBondContact O-N 2.95Å; K491-S495 PolarHBondContact O-OG 3.36Å; S495-H498 PolarHBondContact O-N 3.06Å; S495-H499 PolarHBondContact O-CD2 2.81Å; S495-H499 PolarHBondContact O-N 3.36Å
496	L	94.2	Very high	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-45.5	178.1	179.6	53.2	0	0	0	111.9	I262 I267 M274 V278 L492 R493 N494 I500	I262-L496 HydrophobicContact CG2-CD2 3.85Å; I267-L496 HydrophobicContact CG1-CD2 4.17Å; M274-L496 HydrophobicContact SD-CB 3.72Å; M274-L496 HydrophobicContact SD-CD1 4.05Å; M274-L496 HydrophobicContact SD-CG 4.42Å; V278-L496 HydrophobicContact CB-CD1 4.42Å; V278-L496 HydrophobicContact CG2-CD1 3.67Å; L492-L496 VanDerWaalsContact O-CB 3.3Å; L492-L496 WeakPolarHBondContact O-CB 3.03Å; L492-L496 PolarHBondContact O-N 2.88Å; R493-L496 PolarHBondContact O-N 3.37Å; N494-L496 VanDerWaalsContact C-N 3.34Å; N494-L496 PolarHBondContact O-N 3.43Å; L496-I500 HydrophobicContact CD1-CD1 3.89Å; L496-I500 HydrophobicContact CD1-CG1 4.41Å; L496-I500 HydrophobicContact CG-CD1 4.03Å; L496-I500 WeakPolarHBondContact O-CD1 3.45Å; L496-I500 VanDerWaalsContact O-CG1 3.26Å; L496-I500 WeakPolarHBondContact O-CG1 3.48Å; L496-I500 PolarHBondContact O-N 3.09Å
497	V	92.9	Very high	90.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-42.2	177	172	0	0	0	0	112	Q257 I262 R493 N494 H499 I500 N501	Q257-V497 HydrophobicContact CB-CG1 3.87Å; I262-V497 HydrophobicContact CD1-CG2 3.92Å; I262-V497 HydrophobicContact CG1-CG2 3.28Å; R493-V497 WeakPolarHBondContact O-CG2 3.48Å; R493-V497 PolarHBondContact O-N 3.36Å; N494-V497 PolarHBondContact O-N 3.44Å; V497-H499 VanDerWaalsContact C-N 3.35Å; V497-H499 PolarHBondContact O-N 3.21Å; V497-I500 PolarHBondContact O-N 2.81Å; V497-N501 WeakPolarHBondContact O-CB 3.05Å; V497-N501 PolarHBondContact O-N 3.32Å
498	H	92.9	Very high	89.6	Confident	25 Å²	25	40 Å²	40	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-52.7	-51.4	176.7	169.5	81.1	0	0	0	111.3	P227 Y229 L256 N494 S495 I500 N501 H502	P227-H498 HydrophobicContact CB-CB 4.31Å; P227-H498 HydrophobicContact CG-CB 3.61Å; P227-H498 PolarHBondContact O-ND1 3.28Å; Y229-H498 AromaticContact CE2-CE1 3.44Å; Y229-H498 VanDerWaalsContact CE2-CE1 3.44Å; Y229-H498 WeakPolarHBondContact CE2-CE1 3.39Å; Y229-H498 AromaticContact CE2-ND1 3.8Å; L256-H498 HydrophobicContact CD2-CB 4.11Å; N494-H498 WeakPolarHBondContact O-CB 3.4Å; N494-H498 PolarHBondContact O-N 3.04Å; S495-H498 PolarHBondContact O-N 3.06Å; H498-I500 PolarHBondContact O-N 3.4Å; H498-N501 PolarHBondContact O-N 3.23Å; H498-H502 AromaticContact CE1-CG 3.82Å; H498-H502 AromaticContact CE1-ND1 3.63Å; H498-H502 AromaticContact CG-ND1 3.91Å; H498-H502 AromaticContact ND1-CE1 3.67Å; H498-H502 AromaticContact ND1-CG 3.87Å; H498-H502 AromaticContact ND1-ND1 3.2Å; H498-H502 PolarHBondContact ND1-ND1 3.09Å; H498-H502 VanDerWaalsContact ND1-ND1 3.2Å; H498-H502 VanDerWaalsContact O-CB 3.24Å; H498-H502 WeakPolarHBondContact O-CB 3.09Å; H498-H502 PolarHBondContact O-N 2.96Å; H498-H502 PolarHBondContact O-ND1 3.2Å; H498-H502 VanDerWaalsContact O-ND1 3.13Å
499	H	91.7	Very high	88.4	Confident	47 Å²	47	44.1 Å²	44.1	22%	0.218	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-26	-179	-66	-63	0	0	0	114.8	V278 S495 V497	V278-H499 HydrophobicContact CG1-CB 4.19Å; V278-H499 HydrophobicContact CG2-CB 3.68Å; S495-H499 PolarHBondContact O-CD2 2.81Å; S495-H499 PolarHBondContact O-N 3.36Å; V497-H499 VanDerWaalsContact C-N 3.35Å; V497-H499 PolarHBondContact O-N 3.21Å
500	I	88.4	Confident	87.7	Confident	29 Å²	29	53 Å²	53	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-48.9	174.3	-66.5	163.5	0	0	0	109.6	I262 V278 E281 L496 V497 H498 S503	I262-I500 HydrophobicContact CD1-CD1 4.03Å; V278-I500 HydrophobicContact CG1-CG1 4.01Å; E281-I500 HydrophobicContact CB-CD1 3.75Å; E281-I500 HydrophobicContact CB-CG1 4.33Å; E281-I500 HydrophobicContact CG-CD1 3.91Å; L496-I500 HydrophobicContact CD1-CD1 3.89Å; L496-I500 HydrophobicContact CD1-CG1 4.41Å; L496-I500 HydrophobicContact CG-CD1 4.03Å; L496-I500 WeakPolarHBondContact O-CD1 3.45Å; L496-I500 VanDerWaalsContact O-CG1 3.26Å; L496-I500 WeakPolarHBondContact O-CG1 3.48Å; L496-I500 PolarHBondContact O-N 3.09Å; V497-I500 PolarHBondContact O-N 2.81Å; H498-I500 PolarHBondContact O-N 3.4Å; I500-S503 WeakPolarHBondContact O-CB 3.24Å; I500-S503 PolarHBondContact O-OG 2.82Å
501	N	85.5	Confident	87.4	Confident	42 Å²	42	53.6 Å²	53.6	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-84.7	-29.9	-169.5	-67.8	8.3	0	0	0	112.8	Q257 S260 V497 H498 S503	Q257-N501 VanDerWaalsContact OE1-CB 3.26Å; Q257-N501 PolarHBondContact OE1-ND2 3.08Å; S260-N501 PolarHBondContact OG-ND2 2.9Å; V497-N501 WeakPolarHBondContact O-CB 3.05Å; V497-N501 PolarHBondContact O-N 3.32Å; H498-N501 PolarHBondContact O-N 3.23Å; N501-S503 VanDerWaalsContact C-N 3.29Å; N501-S503 PolarHBondContact O-N 2.86Å
502	H	85.1	Confident	87.2	Confident	66 Å²	66	59.3 Å²	59.3	31%	0.306	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	35.8	171.9	-60.3	91.8	0	0	0	112.4	D232 Q257 H498 V504 S514	D232-H502 IonicContact OD1-CE1 3.92Å; Q257-H502 PolarHBondContact NE2-CE1 3.44Å; Q257-H502 VanDerWaalsContact NE2-CE1 3.3Å; H498-H502 AromaticContact CE1-CG 3.82Å; H498-H502 AromaticContact CE1-ND1 3.63Å; H498-H502 AromaticContact CG-ND1 3.91Å; H498-H502 AromaticContact ND1-CE1 3.67Å; H498-H502 AromaticContact ND1-CG 3.87Å; H498-H502 AromaticContact ND1-ND1 3.2Å; H498-H502 PolarHBondContact ND1-ND1 3.09Å; H498-H502 VanDerWaalsContact ND1-ND1 3.2Å; H498-H502 VanDerWaalsContact O-CB 3.24Å; H498-H502 WeakPolarHBondContact O-CB 3.09Å; H498-H502 PolarHBondContact O-N 2.96Å; H498-H502 PolarHBondContact O-ND1 3.2Å; H498-H502 VanDerWaalsContact O-ND1 3.13Å; H502-V504 PolarHBondContact O-N 2.78Å; H502-S514 VanDerWaalsContact O-CB 3.25Å; H502-S514 WeakPolarHBondContact O-CB 3.34Å; H502-S514 PolarHBondContact O-OG 3.44Å
503	S	82.9	Confident	87	Confident	14 Å²	14	58 Å²	58	10%	0.098	30%	0.298	C	S	.	.			trans	-75.4	0.3	176.9	49.5	0	0	0	0	114.4	I500 N501 S514	I500-S503 WeakPolarHBondContact O-CB 3.24Å; I500-S503 PolarHBondContact O-OG 2.82Å; N501-S503 VanDerWaalsContact C-N 3.29Å; N501-S503 PolarHBondContact O-N 2.86Å; S503-S514 PolarHBondContact O-N 3.16Å; S503-S514 PolarHBondContact O-OG 3.25Å
504	V	87.3	Confident	86.7	Confident	30 Å²	30	58.4 Å²	58.4	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.9	172.5	-176.5	0	0	0	0	110.6	H502 R512 S514 L578 L582	H502-V504 PolarHBondContact O-N 2.78Å; V504-R512 CarbonylContact C-O 3.53Å; V504-R512 WeakPolarHBondContact CA-O 3.35Å; V504-R512 WeakPolarHBondContact CG1-O 3.34Å; V504-S514 VanDerWaalsContact C-OG 3.3Å; V504-S514 WeakPolarHBondContact CA-OG 3.4Å; V504-S514 PolarHBondContact N-OG 3.04Å; V504-S514 VanDerWaalsContact N-OG 3.12Å; V504-L578 HydrophobicContact CG1-CD1 3.98Å; V504-L578 HydrophobicContact CG2-CD1 4.17Å; V504-L582 HydrophobicContact CG1-CD2 4.04Å
505	E	85.8	Confident	86.3	Confident	71 Å²	71	65.2 Å²	65.2	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.7	168.5	-78.8	166.2	-138.8	0	0	110.1	S511 R512 S514	E505-S511 CarbonylContact O-C 3.56Å; E505-S511 WeakPolarHBondContact O-CA 3.48Å; E505-R512 HydrophobicContact CB-CG 3.83Å; E505-R512 PolarHBondContact N-O 3.18Å; E505-R512 PolarHBondContact O-N 2.97Å; E505-R512 IonicContact OE2-CZ 3.2Å; E505-R512 IonicContact OE2-NE 3.05Å; E505-R512 PolarHBondContact OE2-NE 3.44Å; E505-R512 IonicContact OE2-NH2 2.81Å; E505-R512 PolarHBondContact OE2-NH2 2.72Å; E505-S514 PolarHBondContact N-OG 3.43Å; E505-S514 WeakPolarHBondContact OE1-CA 3.34Å
506	K	81.8	Confident	86.1	Confident	174 Å²	174	64 Å²	64	76%	0.757	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.6	173.7	-66.1	-172.8	176.6	-175.7	0	110
507	G	74.6	Confident	85.9	Confident	41 Å²	41	65.1 Å²	65.1	42%	0.423	33%	0.325	S	S	.	.			trans	-73.3	179.8	168.1	0	0	0	0	0	111.9	R510	G507-R510 WeakPolarHBondContact CA-O 3.26Å; G507-R510 PolarHBondContact N-O 2.81Å
508	A	71.3	Confident	85.7	Confident	104 Å²	104	71.4 Å²	71.4	86%	0.86	36%	0.358	S	S	*	.	S	Bend	trans	-61.6	-46.1	176	0	0	0	0	0	112
509	D	69.4	Low	85.5	Confident	158 Å²	158	71.5 Å²	71.5	85%	0.845	36%	0.359	S	S	*	.	S	Bend	trans	-102.6	-28.2	-173.4	-48.9	-64.2	0	0	0	114.4
510	R	81.1	Confident	85.2	Confident	196 Å²	196	72.4 Å²	72.4	74%	0.74	37%	0.365	S	S	*	.			trans	-151.9	149.1	-174.1	-64.6	-171.1	179.6	-176.8	-0.2	112.7	G507	G507-R510 WeakPolarHBondContact CA-O 3.26Å; G507-R510 PolarHBondContact N-O 2.81Å
511	S	91.4	Very high	84.5	Confident	12 Å²	12	74.4 Å²	74.4	8%	0.084	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	147.5	164.8	-59.9	0	0	0	0	112.3	E505 E933	E505-S511 CarbonylContact O-C 3.56Å; E505-S511 WeakPolarHBondContact O-CA 3.48Å; S511-E933 WeakPolarHBondContact CB-OE1 3.46Å; S511-E933 PolarHBondContact N-OE1 3.41Å; S511-E933 VanDerWaalsContact OG-CD 3.23Å; S511-E933 PolarHBondContact OG-OE1 2.74Å; S511-E933 PolarHBondContact OG-OE2 3.32Å
512	R	90.5	Very high	84	Confident	155 Å²	155	75 Å²	75	59%	0.585	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.9	175	68.3	-176.2	-177	-163.9	2.6	111.2	V504 E505	V504-R512 CarbonylContact C-O 3.53Å; V504-R512 WeakPolarHBondContact CA-O 3.35Å; V504-R512 WeakPolarHBondContact CG1-O 3.34Å; E505-R512 HydrophobicContact CB-CG 3.83Å; E505-R512 PolarHBondContact N-O 3.18Å; E505-R512 PolarHBondContact O-N 2.97Å; E505-R512 IonicContact OE2-CZ 3.2Å; E505-R512 IonicContact OE2-NE 3.05Å; E505-R512 PolarHBondContact OE2-NE 3.44Å; E505-R512 IonicContact OE2-NH2 2.81Å; E505-R512 PolarHBondContact OE2-NH2 2.72Å
513	L	90.9	Very high	83.5	Confident	18 Å²	18	79.8 Å²	79.8	9%	0.094	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.9	171	-69.3	170.2	0	0	0	110	V541 V542 L577 L578	L513-V541 HydrophobicContact CD1-CG1 3.99Å; L513-V542 HydrophobicContact CB-CG2 4.11Å; L513-L577 HydrophobicContact CD1-CB 4.18Å; L513-L577 HydrophobicContact CD1-CD2 3.71Å; L513-L577 HydrophobicContact CD1-CG 3.8Å; L513-L577 HydrophobicContact CD2-CG 4.04Å; L513-L578 HydrophobicContact CD2-CB 4.26Å; L513-L578 HydrophobicContact CD2-CD1 4.3Å; L513-L578 HydrophobicContact CG-CB 4.17Å; L513-L578 HydrophobicContact CG-CD1 4.38Å
514	S	90.4	Very high	83.4	Confident	9 Å²	9	86.8 Å²	86.8	6%	0.063	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-76.8	159.4	175.9	-36.5	0	0	0	0	111.4	H502 S503 V504 E505 Y538	H502-S514 VanDerWaalsContact O-CB 3.25Å; H502-S514 WeakPolarHBondContact O-CB 3.34Å; H502-S514 PolarHBondContact O-OG 3.44Å; S503-S514 PolarHBondContact O-N 3.16Å; S503-S514 PolarHBondContact O-OG 3.25Å; V504-S514 VanDerWaalsContact C-OG 3.3Å; V504-S514 WeakPolarHBondContact CA-OG 3.4Å; V504-S514 PolarHBondContact N-OG 3.04Å; V504-S514 VanDerWaalsContact N-OG 3.12Å; E505-S514 PolarHBondContact N-OG 3.43Å; E505-S514 WeakPolarHBondContact OE1-CA 3.34Å; S514-Y538 VanDerWaalsContact O-CE1 3.32Å; S514-Y538 WeakPolarHBondContact O-CE1 3.16Å; S514-Y538 PolarHBondContact O-OH 3.25Å
515	R	89.1	Confident	83.1	Confident	144 Å²	144	87 Å²	87	54%	0.543	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-66.3	140.1	167.1	-80.6	-174.7	172.8	170.6	-1.5	111.4	V542 D543	R515-V542 HydrophobicContact CG-CG1 3.72Å; R515-D543 IonicContact CZ-OD1 2.81Å; R515-D543 IonicContact CZ-OD2 2.81Å; R515-D543 IonicContact NE-OD1 2.75Å; R515-D543 PolarHBondContact NE-OD1 2.98Å; R515-D543 IonicContact NE-OD2 2.7Å; R515-D543 IonicContact NH2-OD1 3.22Å; R515-D543 PolarHBondContact NH2-OD1 3.47Å; R515-D543 IonicContact NH2-OD2 3.12Å
516	L	90.6	Very high	83.1	Confident	10 Å²	10	85.1 Å²	85.1	5%	0.052	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-85.7	167.6	165.8	-76.9	180	0	0	0	110	R275 V278 L279 Y538	R275-L516 HydrophobicContact CG-CB 4.35Å; V278-L516 HydrophobicContact CB-CD2 4.16Å; V278-L516 HydrophobicContact CG1-CD2 3.46Å; V278-L516 VanDerWaalsContact CG1-CD2 3.46Å; L279-L516 HydrophobicContact CD2-CD1 3.62Å; L279-L516 HydrophobicContact CG-CD1 3.99Å; L516-Y538 HydrophobicContact CB-CD1 4.35Å; L516-Y538 HydrophobicContact CB-CE1 4.18Å; L516-Y538 HydrophobicContact CD1-CD1 3.66Å; L516-Y538 HydrophobicContact CD1-CD2 3.7Å; L516-Y538 HydrophobicContact CD1-CE1 3.79Å; L516-Y538 HydrophobicContact CD1-CE2 3.83Å; L516-Y538 HydrophobicContact CD1-CG 3.62Å; L516-Y538 HydrophobicContact CG-CD1 3.87Å; L516-Y538 HydrophobicContact CG-CD2 4.43Å; L516-Y538 HydrophobicContact CG-CE1 3.53Å; L516-Y538 HydrophobicContact CG-CE2 4.13Å; L516-Y538 HydrophobicContact CG-CG 4.32Å
517	P	91.3	Very high	83.2	Confident	23 Å²	23	82 Å²	82	15%	0.149	42%	0.42	C	S	.	.	S	Bend	trans	-53.2	148.3	168.5	-23.9	32.9	0	0	0	111.9	M274 R275	M274-P517 HydrophobicContact CB-CB 4.24Å; M274-P517 HydrophobicContact CB-CG 4.09Å; M274-P517 HydrophobicContact CG-CB 4.46Å; M274-P517 HydrophobicContact CG-CG 3.78Å; R275-P517 HydrophobicContact CB-CB 4.24Å; R275-P517 WeakPolarHBondContact CD-O 3.32Å; R275-P517 WeakPolarHBondContact CG-O 3.5Å; R275-P517 PolarHBondContact NH1-O 2.93Å
518	D	88.4	Confident	83.6	Confident	132 Å²	132	88.6 Å²	88.6	71%	0.706	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-59.9	156.9	-172.9	-50.1	-47.8	0	0	0	113.5
519	I	88.3	Confident	84.4	Confident	27 Å²	27	84.8 Å²	84.8	14%	0.138	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-71.8	133.2	171.7	-66.8	173.7	0	0	0	109.6	E539 V554 F557 L558	I519-E539 HydrophobicContact CD1-CB 4.15Å; I519-E539 HydrophobicContact CD1-CG 3.95Å; I519-E539 WeakPolarHBondContact CD1-OE1 3.38Å; I519-E539 VanDerWaalsContact CG1-OE1 3.28Å; I519-E539 WeakPolarHBondContact CG1-OE1 3.48Å; I519-V554 HydrophobicContact CB-CG1 4.44Å; I519-V554 HydrophobicContact CD1-CG1 3.99Å; I519-V554 HydrophobicContact CG2-CG1 4.39Å; I519-V554 HydrophobicContact CG2-CG2 4.31Å; I519-F557 HydrophobicContact CD1-CE1 4.32Å; I519-L558 HydrophobicContact CD1-CD2 4.2Å
520	L	85	Confident	85.2	Confident	65 Å²	65	81.2 Å²	81.2	34%	0.34	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-78	128.2	177.4	-59	177	0	0	0	111.2	R272 C273 S522 T525 C526	R272-L520 WeakPolarHBondContact O-CD1 3.45Å; C273-L520 HydrophobicContact CB-CD1 3.6Å; L520-S522 PolarHBondContact O-N 3.16Å; L520-S522 VanDerWaalsContact O-N 3.16Å; L520-T525 HydrophobicContact CD1-CG2 4.08Å; L520-C526 PolarHBondContact O-SG 3.32Å
521	S	72.9	Confident	85.7	Confident	71 Å²	71	72.3 Å²	72.3	50%	0.497	35%	0.352	S	S	.	.			trans	-65.3	-9.5	168.9	58.3	0	0	0	0	113.9	R523 E551	S521-R523 PolarHBondContact O-N 3.46Å; S521-E551 WeakPolarHBondContact CB-OE2 3.21Å
522	S	75.7	Confident	85.7	Confident	55 Å²	55	74.5 Å²	74.5	39%	0.385	36%	0.36	S	S	.	.			trans	-70.4	88.8	175.5	-173.3	0	0	0	0	112.3	L520 Q524 T525 C526	L520-S522 PolarHBondContact O-N 3.16Å; L520-S522 VanDerWaalsContact O-N 3.16Å; S522-Q524 PolarHBondContact O-N 3.4Å; S522-Q524 VanDerWaalsContact O-N 3.07Å; S522-T525 PolarHBondContact O-N 3.42Å; S522-C526 PolarHBondContact O-N 3.26Å; S522-C526 VanDerWaalsContact O-N 3.13Å
523	R	74.8	Confident	85.7	Confident	167 Å²	167	68.7 Å²	68.7	63%	0.63	34%	0.34	S	S	*	.	H	α-helix	trans	-46.2	-39.2	175.8	-66.9	-168.4	-176.8	-153.6	8.1	113.6	S521 C526 Q527 E553	S521-R523 PolarHBondContact O-N 3.46Å; R523-C526 PolarHBondContact O-N 3.07Å; R523-Q527 VanDerWaalsContact O-CB 3.22Å; R523-Q527 WeakPolarHBondContact O-CB 3.45Å; R523-Q527 PolarHBondContact O-N 2.85Å; R523-E553 WeakPolarHBondContact CG-OE2 3.47Å; R523-E553 IonicContact CZ-OE1 3.16Å; R523-E553 IonicContact CZ-OE2 3.8Å; R523-E553 VanDerWaalsContact NE-CD 3.34Å; R523-E553 IonicContact NE-OE1 2.82Å; R523-E553 PolarHBondContact NE-OE1 3.44Å; R523-E553 IonicContact NE-OE2 3.6Å; R523-E553 PolarHBondContact NE-OE2 3.41Å; R523-E553 IonicContact NH2-OE1 3.9Å; R523-E553 PolarHBondContact NH2-OE1 3.29Å; R523-E553 IonicContact NH2-OE2 3.03Å; R523-E553 PolarHBondContact NH2-OE2 2.84Å
524	Q	79.9	Confident	85.9	Confident	160 Å²	160	68.1 Å²	68.1	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-64.3	-41.7	-179.5	-67.7	-173.3	2.9	0	0	112.9	S522 Y528	S522-Q524 PolarHBondContact O-N 3.4Å; S522-Q524 VanDerWaalsContact O-N 3.07Å; Q524-Y528 WeakPolarHBondContact O-CD2 3.3Å
525	T	82.9	Confident	86	Confident	35 Å²	35	68.4 Å²	68.4	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-70.4	-39.6	176.9	-62.6	0	0	0	0	111	R272 C273 L520 S522	R272-T525 HydrophobicContact CB-CG2 4.4Å; C273-T525 HydrophobicContact CB-CG2 4.31Å; L520-T525 HydrophobicContact CD1-CG2 4.08Å; S522-T525 PolarHBondContact O-N 3.42Å
526	C	85.7	Confident	86.1	Confident	32 Å²	32	61.6 Å²	61.6	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-73.6	-34	-178.4	-66.3	0	0	0	0	112.8	L520 S522 R523 Y528 C529 K532	L520-C526 PolarHBondContact O-SG 3.32Å; S522-C526 PolarHBondContact O-N 3.26Å; S522-C526 VanDerWaalsContact O-N 3.13Å; R523-C526 PolarHBondContact O-N 3.07Å; C526-Y528 VanDerWaalsContact C-N 3.28Å; C526-Y528 PolarHBondContact O-N 3.01Å; C526-C529 WeakPolarHBondContact O-CB 3.41Å; C526-C529 PolarHBondContact O-N 3.07Å; C526-K532 WeakPolarHBondContact O-CE 3.37Å
527	Q	83.9	Confident	86.3	Confident	109 Å²	109	61.1 Å²	61.1	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-36.3	-179.4	-178.1	177.5	12.2	0	0	113.3	R523 K532	R523-Q527 VanDerWaalsContact O-CB 3.22Å; R523-Q527 WeakPolarHBondContact O-CB 3.45Å; R523-Q527 PolarHBondContact O-N 2.85Å; Q527-K532 WeakPolarHBondContact O-CE 3.36Å; Q527-K532 PolarHBondContact O-NZ 2.84Å
528	Y	82.4	Confident	86.3	Confident	179 Å²	179	60 Å²	60	70%	0.702	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	17.4	-178.8	-55.7	-79.4	0	0	0	113.1	Q524 C526	Q524-Y528 WeakPolarHBondContact O-CD2 3.3Å; C526-Y528 VanDerWaalsContact C-N 3.28Å; C526-Y528 PolarHBondContact O-N 3.01Å
529	C	87.2	Confident	86.5	Confident	23 Å²	23	54.9 Å²	54.9	16%	0.155	28%	0.276	C	S	.	.			trans	-75.8	127.4	173.5	-172	0	0	0	0	110.3	C526 Q531 K532	C526-C529 WeakPolarHBondContact O-CB 3.41Å; C526-C529 PolarHBondContact O-N 3.07Å; C529-Q531 VanDerWaalsContact C-N 3.29Å; C529-K532 HydrophobicContact CB-CG 4.38Å; C529-K532 WeakPolarHBondContact O-CG 3.33Å
530	P	86.9	Confident	86.5	Confident	83 Å²	83	56.5 Å²	56.5	54%	0.539	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.3	173.3	27.3	-32.6	0	0	0	112	K532	P530-K532 VanDerWaalsContact C-N 3.28Å; P530-K532 PolarHBondContact O-N 2.87Å
531	Q	91.1	Very high	86.7	Confident	10 Å²	10	54.2 Å²	54.2	5%	0.047	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	23.8	-175.5	-64.8	-67.8	-26	0	0	113.8	L279 F283 C529 N534 C535	L279-Q531 HydrophobicContact CB-CB 4.14Å; L279-Q531 HydrophobicContact CB-CG 4.15Å; L279-Q531 HydrophobicContact CD1-CB 4.38Å; F283-Q531 PolarHBondContact O-NE2 3.49Å; C529-Q531 VanDerWaalsContact C-N 3.29Å; Q531-N534 PolarHBondContact O-N 2.92Å; Q531-N534 PolarHBondContact OE1-ND2 2.85Å; Q531-C535 WeakPolarHBondContact O-CB 3.42Å; Q531-C535 PolarHBondContact O-N 3.33Å
532	K	90.9	Very high	87.2	Confident	57 Å²	57	52.2 Å²	52.2	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-55.6	-178.6	-79.8	175.2	-170.8	172	0	113.3	C526 Q527 C529 P530 N534 C535 A536 F557 E561	C526-K532 WeakPolarHBondContact O-CE 3.37Å; Q527-K532 WeakPolarHBondContact O-CE 3.36Å; Q527-K532 PolarHBondContact O-NZ 2.84Å; C529-K532 HydrophobicContact CB-CG 4.38Å; C529-K532 WeakPolarHBondContact O-CG 3.33Å; P530-K532 VanDerWaalsContact C-N 3.28Å; P530-K532 PolarHBondContact O-N 2.87Å; K532-N534 PolarHBondContact O-N 2.93Å; K532-C535 WeakPolarHBondContact O-CB 3.5Å; K532-C535 PolarHBondContact O-N 3.46Å; K532-C535 VanDerWaalsContact O-N 3.16Å; K532-A536 PolarHBondContact O-N 2.94Å; K532-F557 HydrophobicContact CB-CE2 4.18Å; K532-F557 HydrophobicContact CB-CZ 4.32Å; K532-F557 HydrophobicContact CG-CE2 4.08Å; K532-F557 HydrophobicContact CG-CZ 4.47Å; K532-E561 WeakPolarHBondContact CB-OE2 3.27Å
533	L	91.9	Very high	86.9	Confident	33 Å²	33	51.2 Å²	51.2	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-49.3	-178.1	178	60.4	0	0	0	110.5	C535 A536 L537 E718	L533-C535 VanDerWaalsContact C-N 3.33Å; L533-C535 PolarHBondContact O-N 3.43Å; L533-A536 PolarHBondContact O-N 3.5Å; L533-L537 HydrophobicContact CD1-CD1 3.91Å; L533-L537 HydrophobicContact CD1-CG 4.02Å; L533-L537 HydrophobicContact CG-CD1 3.76Å; L533-L537 HydrophobicContact CG-CG 4.31Å; L533-L537 WeakPolarHBondContact O-CB 3.38Å; L533-L537 WeakPolarHBondContact O-CG 3.09Å; L533-L537 PolarHBondContact O-N 2.87Å; L533-E718 HydrophobicContact CD2-CG 3.74Å
534	N	93.8	Very high	86.1	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-36.6	178.1	-65.5	-34.8	0	0	0	112.9	L279 F283 Q531 K532 Y538 S714	L279-N534 HydrophobicContact CD2-CB 4.33Å; F283-N534 HydrophobicContact CD2-CB 4.12Å; F283-N534 HydrophobicContact CE2-CB 4.35Å; F283-N534 HydrophobicContact CG-CB 4.28Å; Q531-N534 PolarHBondContact O-N 2.92Å; Q531-N534 PolarHBondContact OE1-ND2 2.85Å; K532-N534 PolarHBondContact O-N 2.93Å; N534-Y538 WeakPolarHBondContact O-CB 3.43Å; N534-Y538 PolarHBondContact O-N 3.25Å; N534-S714 VanDerWaalsContact OD1-CB 3.29Å; N534-S714 WeakPolarHBondContact OD1-CB 3.26Å; N534-S714 PolarHBondContact OD1-OG 3.21Å
535	C	92.9	Very high	84.5	Confident	15 Å²	15	45 Å²	45	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-45.8	174.5	-179.9	0	0	0	0	111.9	R275 L279 Q531 K532 L533 E539	R275-C535 PolarHBondContact NE-SG 2.85Å; R275-C535 PolarHBondContact NH2-O 3.5Å; L279-C535 HydrophobicContact CD1-CB 3.74Å; Q531-C535 WeakPolarHBondContact O-CB 3.42Å; Q531-C535 PolarHBondContact O-N 3.33Å; K532-C535 WeakPolarHBondContact O-CB 3.5Å; K532-C535 PolarHBondContact O-N 3.46Å; K532-C535 VanDerWaalsContact O-N 3.16Å; L533-C535 VanDerWaalsContact C-N 3.33Å; L533-C535 PolarHBondContact O-N 3.43Å; C535-E539 PolarHBondContact O-N 3.17Å
536	A	92.3	Very high	82.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72.7	-40.8	179.4	0	0	0	0	0	112.8	K532 L533 E539 R540 F557 L558 E561 T562	K532-A536 PolarHBondContact O-N 2.94Å; L533-A536 PolarHBondContact O-N 3.5Å; A536-E539 PolarHBondContact O-N 3.34Å; A536-R540 VanDerWaalsContact O-CB 3.28Å; A536-R540 WeakPolarHBondContact O-CB 3.42Å; A536-R540 VanDerWaalsContact O-CG 3.26Å; A536-R540 WeakPolarHBondContact O-CG 3.47Å; A536-R540 PolarHBondContact O-N 3.07Å; A536-F557 HydrophobicContact CB-CE1 3.95Å; A536-F557 HydrophobicContact CB-CZ 4.06Å; A536-L558 VanDerWaalsContact CA-CD2 3.49Å; A536-L558 HydrophobicContact CB-CD2 3.73Å; A536-E561 HydrophobicContact CB-CB 3.84Å; A536-E561 HydrophobicContact CB-CG 4.42Å; A536-T562 HydrophobicContact CB-CG2 3.93Å
537	L	93.3	Very high	80.6	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-43.7	175.7	-74.7	171.4	0	0	0	112.2	L533 R540 V541 T562 L565 L570 F573 M717	L533-L537 HydrophobicContact CD1-CD1 3.91Å; L533-L537 HydrophobicContact CD1-CG 4.02Å; L533-L537 HydrophobicContact CG-CD1 3.76Å; L533-L537 HydrophobicContact CG-CG 4.31Å; L533-L537 WeakPolarHBondContact O-CB 3.38Å; L533-L537 WeakPolarHBondContact O-CG 3.09Å; L533-L537 PolarHBondContact O-N 2.87Å; L537-R540 PolarHBondContact O-N 3.15Å; L537-V541 WeakPolarHBondContact O-CG2 3.28Å; L537-V541 PolarHBondContact O-N 2.93Å; L537-V541 VanDerWaalsContact O-N 3.16Å; L537-T562 HydrophobicContact CD2-CG2 3.95Å; L537-T562 HydrophobicContact CG-CG2 4.25Å; L537-L565 HydrophobicContact CD2-CD1 3.46Å; L537-L565 VanDerWaalsContact CD2-CD1 3.46Å; L537-L570 HydrophobicContact CD2-CD2 4.07Å; L537-F573 HydrophobicContact CB-CD1 4.29Å; L537-F573 HydrophobicContact CB-CE1 3.72Å; L537-F573 HydrophobicContact CB-CZ 4.03Å; L537-F573 HydrophobicContact CD1-CE1 4.38Å; L537-F573 HydrophobicContact CD1-CE2 4.08Å; L537-F573 HydrophobicContact CD1-CZ 3.97Å; L537-M717 HydrophobicContact CD1-CB 3.66Å; L537-M717 HydrophobicContact CD1-CG 4.11Å; L537-M717 HydrophobicContact CD2-CB 3.91Å; L537-M717 HydrophobicContact CD2-CG 4.12Å; L537-M717 HydrophobicContact CG-CB 4.44Å
538	Y	92.8	Very high	78.8	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-44.5	-179.6	-158.9	-74.8	0	0	0	111.3	L279 M282 S514 L516 N534 V541 V542 L577	L279-Y538 HydrophobicContact CD2-CD2 4.43Å; M282-Y538 HydrophobicContact CE-CE2 4.35Å; S514-Y538 VanDerWaalsContact O-CE1 3.32Å; S514-Y538 WeakPolarHBondContact O-CE1 3.16Å; S514-Y538 PolarHBondContact O-OH 3.25Å; L516-Y538 HydrophobicContact CB-CD1 4.35Å; L516-Y538 HydrophobicContact CB-CE1 4.18Å; L516-Y538 HydrophobicContact CD1-CD1 3.66Å; L516-Y538 HydrophobicContact CD1-CD2 3.7Å; L516-Y538 HydrophobicContact CD1-CE1 3.79Å; L516-Y538 HydrophobicContact CD1-CE2 3.83Å; L516-Y538 HydrophobicContact CD1-CG 3.62Å; L516-Y538 HydrophobicContact CG-CD1 3.87Å; L516-Y538 HydrophobicContact CG-CD2 4.43Å; L516-Y538 HydrophobicContact CG-CE1 3.53Å; L516-Y538 HydrophobicContact CG-CE2 4.13Å; L516-Y538 HydrophobicContact CG-CG 4.32Å; N534-Y538 WeakPolarHBondContact O-CB 3.43Å; N534-Y538 PolarHBondContact O-N 3.25Å; Y538-V541 PolarHBondContact O-N 3.33Å; Y538-V542 HydrophobicContact CD1-CG2 3.87Å; Y538-V542 HydrophobicContact CE1-CG2 3.53Å; Y538-V542 PolarHBondContact O-N 2.9Å; Y538-L577 HydrophobicContact CD2-CD2 3.81Å; Y538-L577 HydrophobicContact CE2-CD2 3.87Å
539	E	91.3	Very high	77.4	Confident	23 Å²	23	43.8 Å²	43.8	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-45.2	177.7	-143.9	81.1	119.9	0	0	111.8	R275 I519 C535 A536 V541 V542 D543 L558	R275-E539 IonicContact CZ-OE1 3.01Å; R275-E539 IonicContact CZ-OE2 3.88Å; R275-E539 IonicContact NH1-OE1 3.28Å; R275-E539 PolarHBondContact NH1-OE1 3.45Å; R275-E539 IonicContact NH1-OE2 2.67Å; R275-E539 PolarHBondContact NH1-OE2 2.66Å; R275-E539 IonicContact NH2-OE1 3.47Å; R275-E539 IonicContact NH2-OE2 3.54Å; R275-E539 PolarHBondContact NH2-OE2 3.45Å; I519-E539 HydrophobicContact CD1-CB 4.15Å; I519-E539 HydrophobicContact CD1-CG 3.95Å; I519-E539 WeakPolarHBondContact CD1-OE1 3.38Å; I519-E539 VanDerWaalsContact CG1-OE1 3.28Å; I519-E539 WeakPolarHBondContact CG1-OE1 3.48Å; C535-E539 PolarHBondContact O-N 3.17Å; A536-E539 PolarHBondContact O-N 3.34Å; E539-V541 PolarHBondContact O-N 3.36Å; E539-V541 VanDerWaalsContact O-N 3.11Å; E539-V542 PolarHBondContact O-N 2.87Å; E539-D543 PolarHBondContact O-N 2.79Å; E539-L558 HydrophobicContact CB-CD1 4.33Å; E539-L558 HydrophobicContact CB-CD2 3.9Å; E539-L558 HydrophobicContact CG-CD1 4.33Å
540	R	89.4	Confident	75.8	Confident	62 Å²	62	45.1 Å²	45.1	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-57.9	-23.2	175.6	-81.8	-86.7	171.7	123.2	-14.6	113.8	A536 L537 T562 L570	A536-R540 VanDerWaalsContact O-CB 3.28Å; A536-R540 WeakPolarHBondContact O-CB 3.42Å; A536-R540 VanDerWaalsContact O-CG 3.26Å; A536-R540 WeakPolarHBondContact O-CG 3.47Å; A536-R540 PolarHBondContact O-N 3.07Å; L537-R540 PolarHBondContact O-N 3.15Å; R540-T562 HydrophobicContact CG-CG2 4.42Å; R540-T562 WeakPolarHBondContact CG-OG1 3.42Å; R540-T562 PolarHBondContact NE-OG1 3.2Å; R540-T562 PolarHBondContact NH1-O 2.81Å; R540-T562 PolarHBondContact NH1-OG1 3.26Å; R540-L570 HydrophobicContact CB-CD1 4.47Å; R540-L570 HydrophobicContact CB-CD2 4.23Å
541	V	88.4	Confident	74.7	Confident	16 Å²	16	46.5 Å²	46.5	10%	0.097	28%	0.278	C	S	.	.	H	α-helix	trans	-87.1	-55.1	176.6	160.9	0	0	0	0	111.6	L513 L537 Y538 E539 S544 F573 A574	L513-V541 HydrophobicContact CD1-CG1 3.99Å; L537-V541 WeakPolarHBondContact O-CG2 3.28Å; L537-V541 PolarHBondContact O-N 2.93Å; L537-V541 VanDerWaalsContact O-N 3.16Å; Y538-V541 PolarHBondContact O-N 3.33Å; E539-V541 PolarHBondContact O-N 3.36Å; E539-V541 VanDerWaalsContact O-N 3.11Å; V541-S544 PolarHBondContact O-OG 3.38Å; V541-S544 VanDerWaalsContact O-OG 3.13Å; V541-F573 HydrophobicContact CG2-CD1 4.02Å; V541-A574 HydrophobicContact CB-CB 4.19Å; V541-A574 HydrophobicContact CG1-CB 3.36Å; V541-A574 HydrophobicContact CG2-CB 3.74Å
542	V	83.4	Confident	73.7	Confident	30 Å²	30	51.5 Å²	51.5	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-73.3	-44.3	-170.3	178	0	0	0	0	111.7	L513 R515 Y538 E539 S544	L513-V542 HydrophobicContact CB-CG2 4.11Å; R515-V542 HydrophobicContact CG-CG1 3.72Å; Y538-V542 HydrophobicContact CD1-CG2 3.87Å; Y538-V542 HydrophobicContact CE1-CG2 3.53Å; Y538-V542 PolarHBondContact O-N 2.9Å; E539-V542 PolarHBondContact O-N 2.87Å; V542-S544 VanDerWaalsContact C-N 3.31Å; V542-S544 PolarHBondContact O-N 3.41Å
543	D	70.6	Confident	73	Confident	33 Å²	33	52.7 Å²	52.7	18%	0.176	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	28.8	-172.7	-67.1	-30.4	0	0	0	113.5	R515 E539 T545 S546	R515-D543 IonicContact CZ-OD1 2.81Å; R515-D543 IonicContact CZ-OD2 2.81Å; R515-D543 IonicContact NE-OD1 2.75Å; R515-D543 PolarHBondContact NE-OD1 2.98Å; R515-D543 IonicContact NE-OD2 2.7Å; R515-D543 IonicContact NH2-OD1 3.22Å; R515-D543 PolarHBondContact NH2-OD1 3.47Å; R515-D543 IonicContact NH2-OD2 3.12Å; E539-D543 PolarHBondContact O-N 2.79Å; D543-T545 PolarHBondContact O-N 3.23Å; D543-S546 PolarHBondContact O-N 3.46Å
544	S	56.1	Low	72.4	Confident	61 Å²	61	52.1 Å²	52.1	43%	0.427	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	10.4	178.6	60	0	0	0	0	115.2	V541 V542	V541-S544 PolarHBondContact O-OG 3.38Å; V541-S544 VanDerWaalsContact O-OG 3.13Å; V542-S544 VanDerWaalsContact C-N 3.31Å; V542-S544 PolarHBondContact O-N 3.41Å
545	T	46.8	Very low	71.8	Confident	135 Å²	135	57.7 Å²	57.7	83%	0.828	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	-9.1	-178.5	51.1	0	0	0	0	115.4	D543	D543-T545 PolarHBondContact O-N 3.23Å
546	S	42.8	Very low	71.4	Confident	39 Å²	39	59.9 Å²	59.9	27%	0.273	35%	0.349	S	S	.	.			trans	-103.6	121.5	-178.9	52	0	0	0	0	112.4	D543 D548	D543-S546 PolarHBondContact O-N 3.46Å; S546-D548 PolarHBondContact O-N 2.94Å
547	A	43.7	Very low	71.1	Confident	91 Å²	91	61.8 Å²	61.8	75%	0.752	36%	0.357	S	S	*	.	S	Bend	trans	-68	-22.3	175	0	0	0	0	0	113.2	V549	A547-V549 PolarHBondContact O-N 3.27Å
548	D	45.9	Very low	70.9	Confident	156 Å²	156	62.3 Å²	62.3	83%	0.834	36%	0.36	S	S	*	.			trans	-77.1	43.4	-178.3	-63	-51.3	0	0	0	114.4	S546 G550	S546-D548 PolarHBondContact O-N 2.94Å; D548-G550 PolarHBondContact O-N 3.16Å
549	V	53.6	Low	70.6	Confident	44 Å²	44	67.1 Å²	67.1	27%	0.267	38%	0.383	S	S	.	.			trans	-72.7	87.9	158.4	-175.4	0	0	0	0	107.2	A547 V554 R555	A547-V549 PolarHBondContact O-N 3.27Å; V549-V554 HydrophobicContact CG1-CB 4.38Å; V549-V554 HydrophobicContact CG1-CG1 4.15Å; V549-R555 PolarHBondContact O-NH2 2.82Å
550	G	54.7	Low	70.5	Confident	52 Å²	52	72.4 Å²	72.4	54%	0.536	41%	0.408	S	S	.	.			trans	-60.6	151.2	172	0	0	0	0	0	111.8	D548	D548-G550 PolarHBondContact O-N 3.16Å
551	E	63.9	Low	70.6	Confident	112 Å²	112	71.4 Å²	71.4	52%	0.523	41%	0.405	S	S	.	.	S	Bend	trans	62.6	114.3	-174.8	-54.8	-174	179.7	0	0	115.2	S521 E553 V554	S521-E551 WeakPolarHBondContact CB-OE2 3.21Å; E551-E553 PolarHBondContact O-N 3.17Å; E551-V554 HydrophobicContact CB-CG2 4.42Å; E551-V554 PolarHBondContact O-N 3.08Å; E551-V554 VanDerWaalsContact O-N 3.09Å
552	D	70.3	Confident	70.8	Confident	114 Å²	114	70.6 Å²	70.6	61%	0.61	40%	0.401	S	S	*	.	H	α-helix	trans	-58.2	-20.7	174.4	-78.3	-56	0	0	0	113.6	R555 A556	D552-R555 PolarHBondContact O-N 2.99Å; D552-R555 IonicContact OD1-CZ 3.64Å; D552-R555 IonicContact OD1-NH1 2.69Å; D552-R555 PolarHBondContact OD1-NH1 3.02Å; D552-A556 VanDerWaalsContact O-CB 3.32Å; D552-A556 WeakPolarHBondContact O-CB 3.47Å; D552-A556 PolarHBondContact O-N 3.12Å
553	E	75.1	Confident	71.3	Confident	83 Å²	83	72.7 Å²	72.7	39%	0.388	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-41.6	175.6	-54.1	-149.1	163.1	0	0	112.5	R523 E551 A556 F557	R523-E553 WeakPolarHBondContact CG-OE2 3.47Å; R523-E553 IonicContact CZ-OE1 3.16Å; R523-E553 IonicContact CZ-OE2 3.8Å; R523-E553 VanDerWaalsContact NE-CD 3.34Å; R523-E553 IonicContact NE-OE1 2.82Å; R523-E553 PolarHBondContact NE-OE1 3.44Å; R523-E553 IonicContact NE-OE2 3.6Å; R523-E553 PolarHBondContact NE-OE2 3.41Å; R523-E553 IonicContact NH2-OE1 3.9Å; R523-E553 PolarHBondContact NH2-OE1 3.29Å; R523-E553 IonicContact NH2-OE2 3.03Å; R523-E553 PolarHBondContact NH2-OE2 2.84Å; E551-E553 PolarHBondContact O-N 3.17Å; E553-A556 PolarHBondContact O-N 3.28Å; E553-F557 WeakPolarHBondContact O-CB 3.19Å; E553-F557 PolarHBondContact O-N 3.2Å
554	V	79.4	Confident	72.5	Confident	20 Å²	20	73.6 Å²	73.6	12%	0.121	42%	0.419	C	S	.	.	H	α-helix	trans	-67.1	-45.4	176.9	-179.3	0	0	0	0	109.3	I519 V549 E551 A556 F557 L558	I519-V554 HydrophobicContact CB-CG1 4.44Å; I519-V554 HydrophobicContact CD1-CG1 3.99Å; I519-V554 HydrophobicContact CG2-CG1 4.39Å; I519-V554 HydrophobicContact CG2-CG2 4.31Å; V549-V554 HydrophobicContact CG1-CB 4.38Å; V549-V554 HydrophobicContact CG1-CG1 4.15Å; E551-V554 HydrophobicContact CB-CG2 4.42Å; E551-V554 PolarHBondContact O-N 3.08Å; E551-V554 VanDerWaalsContact O-N 3.09Å; V554-A556 VanDerWaalsContact C-N 3.32Å; V554-A556 PolarHBondContact O-N 3.35Å; V554-F557 PolarHBondContact O-N 3.11Å; V554-L558 HydrophobicContact CG1-CD1 4.26Å; V554-L558 HydrophobicContact CG1-CG 4.35Å; V554-L558 WeakPolarHBondContact O-CG 3.45Å; V554-L558 PolarHBondContact O-N 3.01Å
555	R	81	Confident	74.4	Confident	125 Å²	125	71.5 Å²	71.5	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-57.1	-43.4	175.8	-172.2	-179.7	-65.7	149.8	-3.6	112.2	V549 D552 Q559	V549-R555 PolarHBondContact O-NH2 2.82Å; D552-R555 PolarHBondContact O-N 2.99Å; D552-R555 IonicContact OD1-CZ 3.64Å; D552-R555 IonicContact OD1-NH1 2.69Å; D552-R555 PolarHBondContact OD1-NH1 3.02Å; R555-Q559 WeakPolarHBondContact O-CB 3.39Å; R555-Q559 PolarHBondContact O-N 3.04Å
556	A	84.5	Confident	76.7	Confident	61 Å²	61	67.9 Å²	67.9	50%	0.504	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-43.3	176.4	0	0	0	0	0	112.4	D552 E553 V554 Q559 Q560	D552-A556 VanDerWaalsContact O-CB 3.32Å; D552-A556 WeakPolarHBondContact O-CB 3.47Å; D552-A556 PolarHBondContact O-N 3.12Å; E553-A556 PolarHBondContact O-N 3.28Å; V554-A556 VanDerWaalsContact C-N 3.32Å; V554-A556 PolarHBondContact O-N 3.35Å; A556-Q559 PolarHBondContact O-N 2.73Å; A556-Q560 WeakPolarHBondContact O-CB 3.48Å; A556-Q560 PolarHBondContact O-N 3.2Å
557	F	87.3	Confident	79.2	Confident	39 Å²	39	72.8 Å²	72.8	17%	0.171	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-48.5	174.3	164.6	-108.4	0	0	0	112.1	I519 K532 A536 E553 V554 Q559 Q560 E561	I519-F557 HydrophobicContact CD1-CE1 4.32Å; K532-F557 HydrophobicContact CB-CE2 4.18Å; K532-F557 HydrophobicContact CB-CZ 4.32Å; K532-F557 HydrophobicContact CG-CE2 4.08Å; K532-F557 HydrophobicContact CG-CZ 4.47Å; A536-F557 HydrophobicContact CB-CE1 3.95Å; A536-F557 HydrophobicContact CB-CZ 4.06Å; E553-F557 WeakPolarHBondContact O-CB 3.19Å; E553-F557 PolarHBondContact O-N 3.2Å; V554-F557 PolarHBondContact O-N 3.11Å; F557-Q559 VanDerWaalsContact C-N 3.29Å; F557-Q559 PolarHBondContact O-N 2.89Å; F557-Q560 PolarHBondContact O-N 2.97Å; F557-E561 HydrophobicContact CD2-CG 3.86Å; F557-E561 HydrophobicContact CE2-CG 3.5Å; F557-E561 VanDerWaalsContact CE2-CG 3.5Å; F557-E561 HydrophobicContact CZ-CG 4.13Å; F557-E561 PolarHBondContact O-N 3.3Å; F557-E561 VanDerWaalsContact O-N 3.08Å
558	L	88.1	Confident	81.7	Confident	12 Å²	12	71.7 Å²	71.7	6%	0.063	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-39.3	177.6	-65.4	-179.6	0	0	0	111.8	I519 A536 E539 V554 T562	I519-L558 HydrophobicContact CD1-CD2 4.2Å; A536-L558 VanDerWaalsContact CA-CD2 3.49Å; A536-L558 HydrophobicContact CB-CD2 3.73Å; E539-L558 HydrophobicContact CB-CD1 4.33Å; E539-L558 HydrophobicContact CB-CD2 3.9Å; E539-L558 HydrophobicContact CG-CD1 4.33Å; V554-L558 HydrophobicContact CG1-CD1 4.26Å; V554-L558 HydrophobicContact CG1-CG 4.35Å; V554-L558 WeakPolarHBondContact O-CG 3.45Å; V554-L558 PolarHBondContact O-N 3.01Å; L558-T562 PolarHBondContact O-N 2.83Å; L558-T562 PolarHBondContact O-OG1 3.11Å
559	Q	86.8	Confident	84.2	Confident	101 Å²	101	64.8 Å²	64.8	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-70.6	-36.8	176.9	-172.6	64.1	4.6	0	0	112.5	R555 A556 F557 S563	R555-Q559 WeakPolarHBondContact O-CB 3.39Å; R555-Q559 PolarHBondContact O-N 3.04Å; A556-Q559 PolarHBondContact O-N 2.73Å; F557-Q559 VanDerWaalsContact C-N 3.29Å; F557-Q559 PolarHBondContact O-N 2.89Å; Q559-S563 WeakPolarHBondContact O-CB 3.26Å; Q559-S563 PolarHBondContact O-N 3.35Å; Q559-S563 VanDerWaalsContact O-N 3.17Å; Q559-S563 PolarHBondContact O-OG 2.76Å
560	Q	89.4	Confident	86.2	Confident	135 Å²	135	63.4 Å²	63.4	63%	0.631	33%	0.333	S	S	*	.	H	α-helix	trans	-60.9	-51.2	175	-177.5	-176.4	-63.9	0	0	111.5	A556 F557	A556-Q560 WeakPolarHBondContact O-CB 3.48Å; A556-Q560 PolarHBondContact O-N 3.2Å; F557-Q560 PolarHBondContact O-N 2.97Å
561	E	90.7	Very high	88.2	Confident	40 Å²	40	64.2 Å²	64.2	19%	0.187	33%	0.328	C	S	.	.	H	α-helix	trans	-83.6	-12	-170.4	-55.6	-70.3	121.2	0	0	114	K532 A536 F557 H564	K532-E561 WeakPolarHBondContact CB-OE2 3.27Å; A536-E561 HydrophobicContact CB-CB 3.84Å; A536-E561 HydrophobicContact CB-CG 4.42Å; F557-E561 HydrophobicContact CD2-CG 3.86Å; F557-E561 HydrophobicContact CE2-CG 3.5Å; F557-E561 VanDerWaalsContact CE2-CG 3.5Å; F557-E561 HydrophobicContact CZ-CG 4.13Å; F557-E561 PolarHBondContact O-N 3.3Å; F557-E561 VanDerWaalsContact O-N 3.08Å; E561-H564 PolarHBondContact O-CE1 3.46Å
562	T	93.6	Very high	89.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-139.8	18.1	-174.4	68.5	0	0	0	0	115.6	A536 L537 R540 L558 H564 L565	A536-T562 HydrophobicContact CB-CG2 3.93Å; L537-T562 HydrophobicContact CD2-CG2 3.95Å; L537-T562 HydrophobicContact CG-CG2 4.25Å; R540-T562 HydrophobicContact CG-CG2 4.42Å; R540-T562 WeakPolarHBondContact CG-OG1 3.42Å; R540-T562 PolarHBondContact NE-OG1 3.2Å; R540-T562 PolarHBondContact NH1-O 2.81Å; R540-T562 PolarHBondContact NH1-OG1 3.26Å; L558-T562 PolarHBondContact O-N 2.83Å; L558-T562 PolarHBondContact O-OG1 3.11Å; T562-H564 VanDerWaalsContact C-N 3.27Å; T562-H564 PolarHBondContact O-N 2.78Å; T562-L565 HydrophobicContact CG2-CD1 4.3Å; T562-L565 PolarHBondContact O-N 3.35Å
563	S	92.8	Very high	91	Very high	73 Å²	73	54.2 Å²	54.2	51%	0.51	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.1	177.7	39.9	0	0	0	0	114.6	Q559 L565	Q559-S563 WeakPolarHBondContact O-CB 3.26Å; Q559-S563 PolarHBondContact O-N 3.35Å; Q559-S563 VanDerWaalsContact O-N 3.17Å; Q559-S563 PolarHBondContact O-OG 2.76Å; S563-L565 VanDerWaalsContact C-N 3.28Å; S563-L565 PolarHBondContact O-N 3.07Å
564	H	95.7	Very high	92	Very high	52 Å²	52	51.3 Å²	51.3	24%	0.241	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9.3	177.1	63.4	-77.3	0	0	0	114.1	E561 T562 M717 S719	E561-H564 PolarHBondContact O-CE1 3.46Å; T562-H564 VanDerWaalsContact C-N 3.27Å; T562-H564 PolarHBondContact O-N 2.78Å; H564-M717 PolarHBondContact NE2-O 2.93Å; H564-S719 PolarHBondContact NE2-N 3.35Å
565	L	96.5	Very high	92.8	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.089	28%	0.277	C	S	.	.			trans	-115.3	132.7	-175.5	-61.3	177.1	0	0	0	111.7	L537 T562 S563 H569 L570 M717	L537-L565 HydrophobicContact CD2-CD1 3.46Å; L537-L565 VanDerWaalsContact CD2-CD1 3.46Å; T562-L565 HydrophobicContact CG2-CD1 4.3Å; T562-L565 PolarHBondContact O-N 3.35Å; S563-L565 VanDerWaalsContact C-N 3.28Å; S563-L565 PolarHBondContact O-N 3.07Å; L565-H569 HydrophobicContact CB-CB 4.24Å; L565-H569 HydrophobicContact CD2-CB 4.2Å; L565-L570 HydrophobicContact CB-CD2 4.39Å; L565-L570 HydrophobicContact CB-CG 4.46Å; L565-L570 HydrophobicContact CD1-CD2 4.18Å; L565-M717 HydrophobicContact CD1-CB 4.01Å; L565-M717 HydrophobicContact CD1-SD 4.23Å; L565-M717 HydrophobicContact CD2-CB 4.4Å; L565-M717 HydrophobicContact CD2-SD 3.97Å
566	T	95.6	Very high	93.6	Very high	60 Å²	60	48 Å²	48	37%	0.368	26%	0.255	S	S	.	.			trans	-83.9	168.3	177.6	72.3	0	0	0	0	111.4	P568 H569 L570	T566-P568 WeakPolarHBondContact OG1-CD 3.49Å; T566-H569 PolarHBondContact N-ND1 3.34Å; T566-H569 VanDerWaalsContact N-ND1 3.12Å; T566-H569 WeakPolarHBondContact O-CB 3.37Å; T566-H569 PolarHBondContact O-N 2.94Å; T566-H569 VanDerWaalsContact O-N 3.14Å; T566-H569 PolarHBondContact OG1-CD2 2.64Å; T566-H569 PolarHBondContact OG1-CE1 2.7Å; T566-H569 PolarHBondContact OG1-N 3.37Å; T566-H569 PolarHBondContact OG1-ND1 2.55Å; T566-H569 PolarHBondContact OG1-NE2 3Å; T566-L570 PolarHBondContact O-N 3.47Å; T566-L570 VanDerWaalsContact O-N 3.12Å
567	R	94.6	Very high	94.1	Very high	141 Å²	141	45.2 Å²	45.2	53%	0.532	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-43.7	172.7	-177.7	57.5	171.3	169.5	-7.5	112.4	H569 L570 V571	R567-H569 VanDerWaalsContact C-N 3.32Å; R567-H569 PolarHBondContact O-N 3.39Å; R567-L570 PolarHBondContact O-N 3.01Å; R567-V571 HydrophobicContact CG-CG2 4.22Å; R567-V571 WeakPolarHBondContact O-CB 3.38Å; R567-V571 VanDerWaalsContact O-CG2 3.31Å; R567-V571 WeakPolarHBondContact O-CG2 3.47Å; R567-V571 PolarHBondContact O-N 2.83Å
568	P	97.1	Very high	94.4	Very high	69 Å²	69	44.5 Å²	44.5	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-50.7	-44.8	168.1	-31.5	35.5	0	0	0	114.5	T566 L570 V571 Y572 V731	T566-P568 WeakPolarHBondContact OG1-CD 3.49Å; P568-L570 PolarHBondContact O-N 3.05Å; P568-V571 PolarHBondContact O-N 3.06Å; P568-Y572 WeakPolarHBondContact O-CB 3.28Å; P568-Y572 PolarHBondContact O-N 3.27Å; P568-V731 HydrophobicContact CB-CG1 4.21Å
569	H	97.4	Very high	94.8	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.051	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-47.2	179	-56.3	167.5	0	0	0	111.8	L565 T566 R567 Y572 F573 M717 R727 D732	L565-H569 HydrophobicContact CB-CB 4.24Å; L565-H569 HydrophobicContact CD2-CB 4.2Å; T566-H569 PolarHBondContact N-ND1 3.34Å; T566-H569 VanDerWaalsContact N-ND1 3.12Å; T566-H569 WeakPolarHBondContact O-CB 3.37Å; T566-H569 PolarHBondContact O-N 2.94Å; T566-H569 VanDerWaalsContact O-N 3.14Å; T566-H569 PolarHBondContact OG1-CD2 2.64Å; T566-H569 PolarHBondContact OG1-CE1 2.7Å; T566-H569 PolarHBondContact OG1-N 3.37Å; T566-H569 PolarHBondContact OG1-ND1 2.55Å; T566-H569 PolarHBondContact OG1-NE2 3Å; R567-H569 VanDerWaalsContact C-N 3.32Å; R567-H569 PolarHBondContact O-N 3.39Å; H569-Y572 PolarHBondContact O-N 3.14Å; H569-F573 WeakPolarHBondContact O-CB 3.29Å; H569-F573 PolarHBondContact O-N 3.35Å; H569-M717 HydrophobicContact CB-CE 4.49Å; H569-M717 HydrophobicContact CB-SD 4Å; H569-R727 WeakPolarHBondContact ND1-CD 3.5Å; H569-R727 PolarHBondContact ND1-NE 3.39Å; H569-D732 IonicContact CD2-OD1 2.67Å; H569-D732 PolarHBondContact CD2-OD1 2.9Å; H569-D732 IonicContact CD2-OD2 3.13Å; H569-D732 IonicContact CE1-OD2 2.69Å; H569-D732 VanDerWaalsContact NE2-CG 3.3Å; H569-D732 IonicContact NE2-OD1 2.77Å; H569-D732 PolarHBondContact NE2-OD1 3.22Å; H569-D732 VanDerWaalsContact NE2-OD1 3.09Å; H569-D732 IonicContact NE2-OD2 2.97Å; H569-D732 PolarHBondContact NE2-OD2 2.93Å
570	L	95.9	Very high	95.1	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-38.4	178	-64.6	175.2	0	0	0	112.5	L537 R540 L565 T566 R567 P568 F573 A574	L537-L570 HydrophobicContact CD2-CD2 4.07Å; R540-L570 HydrophobicContact CB-CD1 4.47Å; R540-L570 HydrophobicContact CB-CD2 4.23Å; L565-L570 HydrophobicContact CB-CD2 4.39Å; L565-L570 HydrophobicContact CB-CG 4.46Å; L565-L570 HydrophobicContact CD1-CD2 4.18Å; T566-L570 PolarHBondContact O-N 3.47Å; T566-L570 VanDerWaalsContact O-N 3.12Å; R567-L570 PolarHBondContact O-N 3.01Å; P568-L570 PolarHBondContact O-N 3.05Å; L570-F573 PolarHBondContact O-N 2.84Å; L570-A574 VanDerWaalsContact O-CB 3.29Å; L570-A574 WeakPolarHBondContact O-CB 3.41Å; L570-A574 PolarHBondContact O-N 3.41Å
571	V	96.1	Very high	95.2	Very high	69 Å²	69	33.2 Å²	33.2	42%	0.418	18%	0.178	S	C	.	.	H	α-helix	trans	-66.9	-43.1	176.6	169.2	0	0	0	0	111.3	R567 P568 A574 H575	R567-V571 HydrophobicContact CG-CG2 4.22Å; R567-V571 WeakPolarHBondContact O-CB 3.38Å; R567-V571 VanDerWaalsContact O-CG2 3.31Å; R567-V571 WeakPolarHBondContact O-CG2 3.47Å; R567-V571 PolarHBondContact O-N 2.83Å; P568-V571 PolarHBondContact O-N 3.06Å; V571-A574 PolarHBondContact O-N 2.89Å; V571-H575 VanDerWaalsContact O-CB 3.26Å; V571-H575 WeakPolarHBondContact O-CB 3.46Å; V571-H575 PolarHBondContact O-N 2.95Å
572	Y	97.4	Very high	95.3	Very high	14 Å²	14	31.5 Å²	31.5	6%	0.055	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-43.3	175.6	177	-83.1	0	0	0	111.7	P568 H569 W576 L713 L716 M717 V731 Q903	P568-Y572 WeakPolarHBondContact O-CB 3.28Å; P568-Y572 PolarHBondContact O-N 3.27Å; H569-Y572 PolarHBondContact O-N 3.14Å; Y572-W576 AromaticContact CD2-CD1 3.94Å; Y572-W576 AromaticContact CE1-CD1 3.64Å; Y572-W576 HydrophobicContact CE1-CG 4.48Å; Y572-W576 AromaticContact CE2-CD1 3.58Å; Y572-W576 AromaticContact CE2-NE1 3.44Å; Y572-W576 AromaticContact CZ-CD1 3.41Å; Y572-W576 VanDerWaalsContact CZ-CD1 3.41Å; Y572-W576 AromaticContact CZ-NE1 3.49Å; Y572-W576 PolarHBondContact O-N 3.08Å; Y572-L713 HydrophobicContact CE1-CD2 3.82Å; Y572-L716 HydrophobicContact CD1-CD2 4.15Å; Y572-L716 HydrophobicContact CE1-CD2 3.6Å; Y572-M717 HydrophobicContact CD1-CE 4.19Å; Y572-V731 HydrophobicContact CD1-CG2 3.79Å; Y572-V731 HydrophobicContact CD2-CG1 4.25Å; Y572-V731 HydrophobicContact CD2-CG2 3.97Å; Y572-V731 HydrophobicContact CE1-CG2 4.13Å; Y572-V731 HydrophobicContact CE2-CG2 4.27Å; Y572-V731 HydrophobicContact CG-CB 4.44Å; Y572-V731 HydrophobicContact CG-CG1 3.99Å; Y572-V731 HydrophobicContact CG-CG2 3.72Å; Y572-Q903 PolarHBondContact OH-OE1 2.97Å; Y572-Q903 VanDerWaalsContact OH-OE1 3.11Å
573	F	96.8	Very high	95.3	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-48.4	175.1	-178.2	-97.9	0	0	0	111.8	F283 L537 V541 H569 L570 H575 W576 L577 L713 M717	F283-F573 HydrophobicContact CE1-CE2 4.34Å; F283-F573 HydrophobicContact CE1-CZ 4.05Å; F283-F573 AromaticContact CZ-CZ 3.94Å; F283-F573 HydrophobicContact CZ-CZ 3.94Å; L537-F573 HydrophobicContact CB-CD1 4.29Å; L537-F573 HydrophobicContact CB-CE1 3.72Å; L537-F573 HydrophobicContact CB-CZ 4.03Å; L537-F573 HydrophobicContact CD1-CE1 4.38Å; L537-F573 HydrophobicContact CD1-CE2 4.08Å; L537-F573 HydrophobicContact CD1-CZ 3.97Å; V541-F573 HydrophobicContact CG2-CD1 4.02Å; H569-F573 WeakPolarHBondContact O-CB 3.29Å; H569-F573 PolarHBondContact O-N 3.35Å; L570-F573 PolarHBondContact O-N 2.84Å; F573-H575 VanDerWaalsContact C-N 3.34Å; F573-H575 PolarHBondContact O-N 3.06Å; F573-W576 PolarHBondContact O-N 3.49Å; F573-L577 HydrophobicContact CE1-CD2 3.84Å; F573-L577 HydrophobicContact CZ-CD2 4.32Å; F573-L577 WeakPolarHBondContact O-CB 3.1Å; F573-L577 PolarHBondContact O-N 2.85Å; F573-L713 HydrophobicContact CD2-CB 4.17Å; F573-L713 HydrophobicContact CE2-CB 4.18Å; F573-M717 HydrophobicContact CB-CE 4.09Å; F573-M717 HydrophobicContact CB-CG 4.22Å; F573-M717 HydrophobicContact CB-SD 4.22Å; F573-M717 HydrophobicContact CD2-CG 3.71Å; F573-M717 HydrophobicContact CE2-CG 4.4Å; F573-M717 HydrophobicContact CG-CG 4.14Å
574	A	95.6	Very high	95	Very high	23 Å²	23	30.3 Å²	30.3	19%	0.19	16%	0.163	C	C	.	.	H	α-helix	trans	-55.6	-47.4	177.1	0	0	0	0	0	112.5	V541 L570 V571 L577 L578	V541-A574 HydrophobicContact CB-CB 4.19Å; V541-A574 HydrophobicContact CG1-CB 3.36Å; V541-A574 HydrophobicContact CG2-CB 3.74Å; L570-A574 VanDerWaalsContact O-CB 3.29Å; L570-A574 WeakPolarHBondContact O-CB 3.41Å; L570-A574 PolarHBondContact O-N 3.41Å; V571-A574 PolarHBondContact O-N 2.89Å; A574-L577 PolarHBondContact O-N 3.38Å; A574-L578 PolarHBondContact O-N 3.24Å
575	H	96.3	Very high	94.5	Very high	72 Å²	72	30.6 Å²	30.6	33%	0.333	17%	0.171	S	C	.	.	H	α-helix	trans	-61.6	-55.8	-179.9	178.6	69.6	0	0	0	111.1	V571 F573 L577 L578 L579 L937	V571-H575 VanDerWaalsContact O-CB 3.26Å; V571-H575 WeakPolarHBondContact O-CB 3.46Å; V571-H575 PolarHBondContact O-N 2.95Å; F573-H575 VanDerWaalsContact C-N 3.34Å; F573-H575 PolarHBondContact O-N 3.06Å; H575-L577 VanDerWaalsContact C-N 3.28Å; H575-L577 PolarHBondContact O-N 3.47Å; H575-L578 PolarHBondContact O-N 3.2Å; H575-L578 VanDerWaalsContact O-N 3.17Å; H575-L579 WeakPolarHBondContact O-CG 3.43Å; H575-L579 PolarHBondContact O-N 3.15Å; H575-L937 PolarHBondContact CE1-O 2.94Å; H575-L937 PolarHBondContact NE2-O 3.33Å
576	W	96.8	Very high	94.1	Very high	4 Å²	4	31 Å²	31	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-65.4	-28.7	-180	-84.6	103.2	0	0	0	113.9	Y572 F573 L579 C580 L713 Q903 P904 M939	Y572-W576 AromaticContact CD2-CD1 3.94Å; Y572-W576 AromaticContact CE1-CD1 3.64Å; Y572-W576 HydrophobicContact CE1-CG 4.48Å; Y572-W576 AromaticContact CE2-CD1 3.58Å; Y572-W576 AromaticContact CE2-NE1 3.44Å; Y572-W576 AromaticContact CZ-CD1 3.41Å; Y572-W576 VanDerWaalsContact CZ-CD1 3.41Å; Y572-W576 AromaticContact CZ-NE1 3.49Å; Y572-W576 PolarHBondContact O-N 3.08Å; F573-W576 PolarHBondContact O-N 3.49Å; W576-L579 HydrophobicContact CD2-CD1 4.04Å; W576-L579 HydrophobicContact CE3-CB 4.45Å; W576-L579 HydrophobicContact CE3-CD1 3.89Å; W576-L579 HydrophobicContact CH2-CD1 4.36Å; W576-L579 HydrophobicContact CZ2-CD1 4.49Å; W576-L579 HydrophobicContact CZ3-CD1 4.08Å; W576-C580 WeakPolarHBondContact O-CB 3.48Å; W576-C580 PolarHBondContact O-N 2.98Å; W576-C580 PolarHBondContact O-SG 2.96Å; W576-L713 HydrophobicContact CB-CD1 3.68Å; W576-L713 HydrophobicContact CB-CD2 3.66Å; W576-L713 HydrophobicContact CB-CG 4.34Å; W576-L713 HydrophobicContact CG-CD2 4.04Å; W576-Q903 HydrophobicContact CH2-CB 3.63Å; W576-Q903 HydrophobicContact CZ2-CB 3.33Å; W576-Q903 HydrophobicContact CZ2-CG 4.13Å; W576-Q903 HydrophobicContact CZ3-CB 4.42Å; W576-P904 HydrophobicContact CD2-CG 3.97Å; W576-P904 HydrophobicContact CE3-CG 3.52Å; W576-P904 HydrophobicContact CZ3-CG 3.92Å; W576-M939 HydrophobicContact CH2-CG 4.35Å; W576-M939 HydrophobicContact CZ3-CG 3.82Å
577	L	95.1	Very high	93.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-47	171.9	179.2	56.8	0	0	0	111.3	M282 F283 L513 Y538 F573 A574 H575 C580 S581 L710	M282-L577 HydrophobicContact CE-CD1 4.19Å; F283-L577 HydrophobicContact CZ-CD1 3.99Å; L513-L577 HydrophobicContact CD1-CB 4.18Å; L513-L577 HydrophobicContact CD1-CD2 3.71Å; L513-L577 HydrophobicContact CD1-CG 3.8Å; L513-L577 HydrophobicContact CD2-CG 4.04Å; Y538-L577 HydrophobicContact CD2-CD2 3.81Å; Y538-L577 HydrophobicContact CE2-CD2 3.87Å; F573-L577 HydrophobicContact CE1-CD2 3.84Å; F573-L577 HydrophobicContact CZ-CD2 4.32Å; F573-L577 WeakPolarHBondContact O-CB 3.1Å; F573-L577 PolarHBondContact O-N 2.85Å; A574-L577 PolarHBondContact O-N 3.38Å; H575-L577 VanDerWaalsContact C-N 3.28Å; H575-L577 PolarHBondContact O-N 3.47Å; L577-C580 PolarHBondContact O-N 2.9Å; L577-S581 PolarHBondContact O-N 2.88Å; L577-S581 PolarHBondContact O-OG 3.08Å; L577-L710 HydrophobicContact CD1-CD2 3.66Å
578	L	94.9	Very high	92.7	Very high	24 Å²	24	27.2 Å²	27.2	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-46.1	174.6	177.9	61.9	0	0	0	112.2	V504 L513 A574 H575 C580 S581 L582	V504-L578 HydrophobicContact CG1-CD1 3.98Å; V504-L578 HydrophobicContact CG2-CD1 4.17Å; L513-L578 HydrophobicContact CD2-CB 4.26Å; L513-L578 HydrophobicContact CD2-CD1 4.3Å; L513-L578 HydrophobicContact CG-CB 4.17Å; L513-L578 HydrophobicContact CG-CD1 4.38Å; A574-L578 PolarHBondContact O-N 3.24Å; H575-L578 PolarHBondContact O-N 3.2Å; H575-L578 VanDerWaalsContact O-N 3.17Å; L578-C580 VanDerWaalsContact C-N 3.29Å; L578-C580 PolarHBondContact O-N 2.89Å; L578-S581 PolarHBondContact O-N 3.39Å; L578-L582 HydrophobicContact CD1-CD1 4.27Å; L578-L582 HydrophobicContact CD1-CG 4.27Å; L578-L582 HydrophobicContact CG-CD1 4.12Å; L578-L582 WeakPolarHBondContact O-CG 3.33Å; L578-L582 PolarHBondContact O-N 3.36Å
579	L	95.6	Very high	91.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.9	-44.1	176.1	-65.9	-179.5	0	0	0	111.5	H575 W576 E583 A934 L937 M939	H575-L579 WeakPolarHBondContact O-CG 3.43Å; H575-L579 PolarHBondContact O-N 3.15Å; W576-L579 HydrophobicContact CD2-CD1 4.04Å; W576-L579 HydrophobicContact CE3-CB 4.45Å; W576-L579 HydrophobicContact CE3-CD1 3.89Å; W576-L579 HydrophobicContact CH2-CD1 4.36Å; W576-L579 HydrophobicContact CZ2-CD1 4.49Å; W576-L579 HydrophobicContact CZ3-CD1 4.08Å; L579-E583 PolarHBondContact O-N 2.93Å; L579-E583 VanDerWaalsContact O-N 3.08Å; L579-A934 HydrophobicContact CD2-CB 4.08Å; L579-A934 WeakPolarHBondContact CD2-O 3.45Å; L579-L937 HydrophobicContact CD2-CB 3.56Å; L579-L937 HydrophobicContact CD2-CD1 4.29Å; L579-M939 HydrophobicContact CB-CB 4.3Å; L579-M939 HydrophobicContact CB-CG 4.14Å; L579-M939 HydrophobicContact CB-SD 4.07Å; L579-M939 HydrophobicContact CD1-CB 3.92Å; L579-M939 HydrophobicContact CD1-CG 4.3Å; L579-M939 HydrophobicContact CD2-CB 4.19Å; L579-M939 HydrophobicContact CG-CB 4.37Å
580	C	94	Very high	90.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-42.9	176.5	-69.8	0	0	0	0	112.1	W576 L577 L578 L582 E583 A584 L706 L710	W576-C580 WeakPolarHBondContact O-CB 3.48Å; W576-C580 PolarHBondContact O-N 2.98Å; W576-C580 PolarHBondContact O-SG 2.96Å; L577-C580 PolarHBondContact O-N 2.9Å; L578-C580 VanDerWaalsContact C-N 3.29Å; L578-C580 PolarHBondContact O-N 2.89Å; C580-L582 PolarHBondContact O-N 3.07Å; C580-E583 PolarHBondContact O-N 3Å; C580-A584 WeakPolarHBondContact O-CB 3.44Å; C580-A584 PolarHBondContact O-N 3.25Å; C580-L706 HydrophobicContact CB-CB 4.45Å; C580-L706 HydrophobicContact CB-CD1 4.14Å; C580-L706 WeakPolarHBondContact O-CD1 3.46Å; C580-L710 HydrophobicContact CB-CD2 3.74Å; C580-L710 HydrophobicContact CB-CG 4.4Å
581	S	91.8	Very high	89.8	Confident	8 Å²	8	30.4 Å²	30.4	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-37	179	-57.5	0	0	0	0	112.9	L577 L578 A584 S585	L577-S581 PolarHBondContact O-N 2.88Å; L577-S581 PolarHBondContact O-OG 3.08Å; L578-S581 PolarHBondContact O-N 3.39Å; S581-A584 PolarHBondContact O-N 3.49Å; S581-S585 PolarHBondContact O-N 2.95Å; S581-S585 VanDerWaalsContact O-N 3.08Å; S581-S585 PolarHBondContact O-OG 3.05Å; S581-S585 VanDerWaalsContact O-OG 3.12Å
582	L	92.3	Very high	88.7	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-44.7	174	-74.9	171.4	0	0	0	112.7	V504 L578 C580 S585 T586 N931 E933 A934 L937	V504-L582 HydrophobicContact CG1-CD2 4.04Å; L578-L582 HydrophobicContact CD1-CD1 4.27Å; L578-L582 HydrophobicContact CD1-CG 4.27Å; L578-L582 HydrophobicContact CG-CD1 4.12Å; L578-L582 WeakPolarHBondContact O-CG 3.33Å; L578-L582 PolarHBondContact O-N 3.36Å; C580-L582 PolarHBondContact O-N 3.07Å; L582-S585 PolarHBondContact O-OG 3.27Å; L582-T586 PolarHBondContact O-N 3.28Å; L582-T586 PolarHBondContact O-OG1 3.02Å; L582-N931 PolarHBondContact O-ND2 2.89Å; L582-E933 HydrophobicContact CD1-CB 4.48Å; L582-E933 HydrophobicContact CD1-CG 4.11Å; L582-A934 HydrophobicContact CB-CB 4.01Å; L582-A934 HydrophobicContact CD1-CB 4.38Å; L582-L937 HydrophobicContact CD1-CD1 4.22Å
583	E	92.2	Very high	87.8	Confident	9 Å²	9	29 Å²	29	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-42.3	175.4	-177.9	67.6	-177	0	0	111.3	L579 C580 S585 T586 M587 L706 Q930 N931 M939	L579-E583 PolarHBondContact O-N 2.93Å; L579-E583 VanDerWaalsContact O-N 3.08Å; C580-E583 PolarHBondContact O-N 3Å; E583-S585 PolarHBondContact O-N 3.27Å; E583-T586 WeakPolarHBondContact O-CA 3.43Å; E583-T586 WeakPolarHBondContact O-CB 3.29Å; E583-T586 PolarHBondContact O-N 2.8Å; E583-T586 VanDerWaalsContact O-N 3.08Å; E583-M587 HydrophobicContact CG-CG 4.33Å; E583-M587 HydrophobicContact CG-SD 3.87Å; E583-M587 VanDerWaalsContact O-CG 3.29Å; E583-M587 WeakPolarHBondContact O-CG 3.21Å; E583-M587 PolarHBondContact O-N 2.84Å; E583-L706 HydrophobicContact CB-CD1 3.8Å; E583-L706 HydrophobicContact CG-CD1 3.9Å; E583-Q930 VanDerWaalsContact CD-N 3.3Å; E583-Q930 VanDerWaalsContact OE1-CB 3.26Å; E583-Q930 WeakPolarHBondContact OE1-CB 3.41Å; E583-Q930 WeakPolarHBondContact OE1-CG 3.33Å; E583-Q930 PolarHBondContact OE1-N 3.05Å; E583-Q930 WeakPolarHBondContact OE2-CA 3.14Å; E583-Q930 PolarHBondContact OE2-N 3.32Å; E583-N931 WeakPolarHBondContact OE2-CB 3.36Å; E583-N931 PolarHBondContact OE2-N 3.36Å; E583-M939 HydrophobicContact CB-CE 3.81Å; E583-M939 HydrophobicContact CB-SD 3.8Å; E583-M939 HydrophobicContact CG-CE 4.07Å; E583-M939 HydrophobicContact CG-SD 4.3Å
584	A	88.4	Confident	87.1	Confident	40 Å²	40	30.5 Å²	30.5	33%	0.331	17%	0.169	S	C	.	.	H	α-helix	trans	-58.3	-49.2	179.9	0	0	0	0	0	112.8	C580 S581 T586 M587 E588 L706	C580-A584 WeakPolarHBondContact O-CB 3.44Å; C580-A584 PolarHBondContact O-N 3.25Å; S581-A584 PolarHBondContact O-N 3.49Å; A584-T586 PolarHBondContact O-N 2.74Å; A584-M587 WeakPolarHBondContact O-CB 3.36Å; A584-M587 PolarHBondContact O-N 2.81Å; A584-M587 VanDerWaalsContact O-N 3.12Å; A584-E588 PolarHBondContact O-N 2.87Å; A584-L706 HydrophobicContact CB-CD1 4.18Å
585	S	85	Confident	86.5	Confident	58 Å²	58	32.7 Å²	32.7	41%	0.406	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-33.9	175.9	57.3	0	0	0	0	112.5	S581 L582 E583 A589	S581-S585 PolarHBondContact O-N 2.95Å; S581-S585 VanDerWaalsContact O-N 3.08Å; S581-S585 PolarHBondContact O-OG 3.05Å; S581-S585 VanDerWaalsContact O-OG 3.12Å; L582-S585 PolarHBondContact O-OG 3.27Å; E583-S585 PolarHBondContact O-N 3.27Å; S585-A589 WeakPolarHBondContact O-CB 3.39Å; S585-A589 PolarHBondContact O-N 3.46Å
586	T	86.6	Confident	85.9	Confident	24 Å²	24	29.7 Å²	29.7	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-34.1	176.6	-54.7	0	0	0	0	112.2	L582 E583 A584 K590 Q930 N931	L582-T586 PolarHBondContact O-N 3.28Å; L582-T586 PolarHBondContact O-OG1 3.02Å; E583-T586 WeakPolarHBondContact O-CA 3.43Å; E583-T586 WeakPolarHBondContact O-CB 3.29Å; E583-T586 PolarHBondContact O-N 2.8Å; E583-T586 VanDerWaalsContact O-N 3.08Å; A584-T586 PolarHBondContact O-N 2.74Å; T586-K590 WeakPolarHBondContact O-CG 3.28Å; T586-K590 PolarHBondContact O-N 2.8Å; T586-Q930 HydrophobicContact CG2-CB 4.09Å; T586-N931 HydrophobicContact CG2-CB 4.28Å; T586-N931 WeakPolarHBondContact OG1-CB 3.49Å; T586-N931 PolarHBondContact OG1-ND2 2.96Å
587	M	83.3	Confident	85.4	Confident	40 Å²	40	30.6 Å²	30.6	20%	0.197	16%	0.162	C	C	.	.	H	α-helix	trans	-73	-40.2	174.2	-65.7	173.7	76.8	0	0	111.8	E583 A584 K590 S591 V704 L706	E583-M587 HydrophobicContact CG-CG 4.33Å; E583-M587 HydrophobicContact CG-SD 3.87Å; E583-M587 VanDerWaalsContact O-CG 3.29Å; E583-M587 WeakPolarHBondContact O-CG 3.21Å; E583-M587 PolarHBondContact O-N 2.84Å; A584-M587 WeakPolarHBondContact O-CB 3.36Å; A584-M587 PolarHBondContact O-N 2.81Å; A584-M587 VanDerWaalsContact O-N 3.12Å; M587-K590 PolarHBondContact O-N 2.87Å; M587-S591 PolarHBondContact O-N 2.87Å; M587-S591 VanDerWaalsContact O-N 3.1Å; M587-V704 HydrophobicContact CE-CB 3.64Å; M587-V704 HydrophobicContact CE-CG1 3.71Å; M587-V704 WeakPolarHBondContact CE-O 3.3Å; M587-L706 HydrophobicContact SD-CD1 4.48Å; M587-L706 HydrophobicContact SD-CD2 4.28Å; M587-L706 HydrophobicContact SD-CG 4.36Å
588	E	78.8	Confident	84.9	Confident	83 Å²	83	31.9 Å²	31.9	39%	0.388	17%	0.169	S	C	.	.	H	α-helix	trans	-68.9	-42.3	176.9	-174.5	162.6	-165.8	0	0	112.3	S260 A584 K590 S591	S260-E588 WeakPolarHBondContact CB-OE1 3.45Å; S260-E588 PolarHBondContact OG-OE1 2.88Å; A584-E588 PolarHBondContact O-N 2.87Å; E588-K590 VanDerWaalsContact C-N 3.26Å; E588-K590 PolarHBondContact O-N 2.65Å; E588-S591 WeakPolarHBondContact O-CB 3.49Å; E588-S591 PolarHBondContact O-N 3.02Å
589	A	78.8	Confident	84.5	Confident	29 Å²	29	33.5 Å²	33.5	24%	0.24	18%	0.176	C	C	.	.	H	α-helix	trans	-53.8	-45.1	174.7	0	0	0	0	0	111.7	H178 S585 S591 K594	H178-A589 VanDerWaalsContact CB-O 3.29Å; H178-A589 WeakPolarHBondContact CB-O 3.46Å; S585-A589 WeakPolarHBondContact O-CB 3.39Å; S585-A589 PolarHBondContact O-N 3.46Å; A589-S591 VanDerWaalsContact C-N 3.32Å; A589-S591 PolarHBondContact O-N 3.36Å; A589-K594 PolarHBondContact O-NZ 2.87Å
590	K	75.5	Confident	83.9	Confident	104 Å²	104	36 Å²	36	45%	0.452	19%	0.194	S	C	.	.	H	α-helix	trans	-76.8	-11.2	178.2	-66.1	176.9	-168.1	-179.1	0	114.5	T586 M587 E588 G592 Q930	T586-K590 WeakPolarHBondContact O-CG 3.28Å; T586-K590 PolarHBondContact O-N 2.8Å; M587-K590 PolarHBondContact O-N 2.87Å; E588-K590 VanDerWaalsContact C-N 3.26Å; E588-K590 PolarHBondContact O-N 2.65Å; K590-G592 PolarHBondContact O-N 3.08Å; K590-Q930 VanDerWaalsContact CD-OE1 3.3Å
591	S	74.9	Confident	83.3	Confident	29 Å²	29	36.6 Å²	36.6	20%	0.203	20%	0.197	C	C	.	.			trans	-55.6	120.4	-172	-172.4	0	0	0	0	112.3	M587 E588 A589 R593 K594	M587-S591 PolarHBondContact O-N 2.87Å; M587-S591 VanDerWaalsContact O-N 3.1Å; E588-S591 WeakPolarHBondContact O-CB 3.49Å; E588-S591 PolarHBondContact O-N 3.02Å; A589-S591 VanDerWaalsContact C-N 3.32Å; A589-S591 PolarHBondContact O-N 3.36Å; S591-R593 PolarHBondContact O-N 2.77Å; S591-R593 VanDerWaalsContact O-N 3.16Å; S591-K594 VanDerWaalsContact O-CE 3.26Å; S591-K594 WeakPolarHBondContact O-CE 3.11Å
592	G	71.9	Confident	82.9	Confident	6 Å²	6	41.8 Å²	41.8	6%	0.062	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.9	-10.8	-177.5	0	0	0	0	0	115.9	K590 K594 R595	K590-G592 PolarHBondContact O-N 3.08Å; G592-K594 PolarHBondContact O-N 3.43Å; G592-R595 VanDerWaalsContact CA-NH2 3.34Å; G592-R595 VanDerWaalsContact O-CB 3.24Å; G592-R595 WeakPolarHBondContact O-CB 3.45Å; G592-R595 WeakPolarHBondContact O-CG 3.49Å; G592-R595 PolarHBondContact O-N 2.86Å; G592-R595 VanDerWaalsContact O-N 3.08Å; G592-R595 PolarHBondContact O-NE 2.69Å
593	R	78.1	Confident	82.3	Confident	48 Å²	48	46.5 Å²	46.5	18%	0.181	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.3	-40.1	-166.1	-70.9	176.1	164.3	-147.8	-11.8	114.4	S591 R595 V596 W597 D700	S591-R593 PolarHBondContact O-N 2.77Å; S591-R593 VanDerWaalsContact O-N 3.16Å; R593-R595 PolarHBondContact O-N 3.47Å; R593-V596 VanDerWaalsContact O-CB 3.3Å; R593-V596 WeakPolarHBondContact O-CB 3.43Å; R593-V596 VanDerWaalsContact O-CG2 3.28Å; R593-V596 WeakPolarHBondContact O-CG2 3.42Å; R593-V596 PolarHBondContact O-N 3.4Å; R593-W597 HydrophobicContact CB-CH2 3.96Å; R593-W597 HydrophobicContact CB-CZ3 4.21Å; R593-W597 WeakPolarHBondContact O-CZ3 3.29Å; R593-D700 IonicContact CZ-OD1 2.76Å; R593-D700 IonicContact CZ-OD2 2.74Å; R593-D700 IonicContact NE-OD1 2.75Å; R593-D700 PolarHBondContact NE-OD1 3.37Å; R593-D700 IonicContact NH2-OD1 3.66Å; R593-D700 PolarHBondContact NH2-OD1 3.2Å; R593-D700 IonicContact NH2-OD2 3.63Å; R593-D700 PolarHBondContact NH2-OD2 2.98Å
594	K	82.1	Confident	81.7	Confident	31 Å²	31	46.1 Å²	46.1	14%	0.135	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.5	-23.9	175.2	58.3	-164.6	156.4	-174.7	0	114	H178 D259 A589 S591 G592 V596 W597 L598	H178-K594 WeakPolarHBondContact O-CE 3.4Å; H178-K594 PolarHBondContact O-NZ 3.47Å; D259-K594 HydrophobicContact CB-CB 4.42Å; A589-K594 PolarHBondContact O-NZ 2.87Å; S591-K594 VanDerWaalsContact O-CE 3.26Å; S591-K594 WeakPolarHBondContact O-CE 3.11Å; G592-K594 PolarHBondContact O-N 3.43Å; K594-V596 VanDerWaalsContact C-N 3.27Å; K594-V596 PolarHBondContact O-N 3.14Å; K594-W597 HydrophobicContact CB-CZ2 4.28Å; K594-W597 PolarHBondContact O-N 3.21Å; K594-L598 HydrophobicContact CB-CD1 4.12Å; K594-L598 VanDerWaalsContact O-CB 3.25Å; K594-L598 WeakPolarHBondContact O-CB 3.17Å; K594-L598 WeakPolarHBondContact O-CG 3.17Å; K594-L598 PolarHBondContact O-N 2.87Å
595	R	83.6	Confident	81.3	Confident	70 Å²	70	46.1 Å²	46.1	26%	0.264	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-26.2	174.5	-56.8	-174.7	-70.9	-139.1	2.5	113.2	I180 G592 R593 W597 Q599	I180-R595 HydrophobicContact CD1-CG 4.32Å; G592-R595 VanDerWaalsContact CA-NH2 3.34Å; G592-R595 VanDerWaalsContact O-CB 3.24Å; G592-R595 WeakPolarHBondContact O-CB 3.45Å; G592-R595 WeakPolarHBondContact O-CG 3.49Å; G592-R595 PolarHBondContact O-N 2.86Å; G592-R595 VanDerWaalsContact O-N 3.08Å; G592-R595 PolarHBondContact O-NE 2.69Å; R593-R595 PolarHBondContact O-N 3.47Å; R595-W597 VanDerWaalsContact C-N 3.28Å; R595-W597 PolarHBondContact O-N 3.41Å; R595-Q599 HydrophobicContact CB-CB 4.43Å; R595-Q599 HydrophobicContact CB-CG 4.28Å; R595-Q599 HydrophobicContact CG-CG 4.44Å; R595-Q599 WeakPolarHBondContact O-CB 3.48Å; R595-Q599 PolarHBondContact O-N 3.27Å; R595-Q599 VanDerWaalsContact O-N 3.1Å
596	V	84.4	Confident	80.8	Confident	8 Å²	8	52.1 Å²	52.1	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-33.9	-179.6	-176.8	0	0	0	0	111.6	R593 K594 V655 I664 R696 D698	R593-V596 VanDerWaalsContact O-CB 3.3Å; R593-V596 WeakPolarHBondContact O-CB 3.43Å; R593-V596 VanDerWaalsContact O-CG2 3.28Å; R593-V596 WeakPolarHBondContact O-CG2 3.42Å; R593-V596 PolarHBondContact O-N 3.4Å; K594-V596 VanDerWaalsContact C-N 3.27Å; K594-V596 PolarHBondContact O-N 3.14Å; V596-V655 HydrophobicContact CG2-CG1 3.99Å; V596-I664 HydrophobicContact CG1-CG2 4.49Å; V596-R696 PolarHBondContact O-NH1 2.85Å; V596-D698 HydrophobicContact CG2-CB 3.78Å
597	W	85.4	Confident	79.9	Confident	23 Å²	23	53.9 Å²	53.9	9%	0.087	28%	0.279	C	S	.	.	H	α-helix	trans	-116.4	-8.8	-176.7	58.8	80.3	0	0	0	115.1	D259 L261 W397 P399 R593 K594 R595 I664	D259-W597 HydrophobicContact CB-CZ2 4.24Å; D259-W597 PolarHBondContact OD1-NE1 2.89Å; L261-W597 HydrophobicContact CD1-CH2 4.13Å; L261-W597 HydrophobicContact CG-CH2 4.49Å; W397-W597 HydrophobicContact CE3-CZ3 4.02Å; W397-W597 HydrophobicContact CZ3-CZ3 4.31Å; P399-W597 HydrophobicContact CB-CB 4.49Å; P399-W597 VanDerWaalsContact CB-CD1 3.46Å; P399-W597 HydrophobicContact CB-CD2 3.88Å; P399-W597 HydrophobicContact CB-CG 3.73Å; P399-W597 HydrophobicContact CB-CZ2 4.44Å; P399-W597 HydrophobicContact CG-CB 4.21Å; P399-W597 HydrophobicContact CG-CD2 4.38Å; P399-W597 HydrophobicContact CG-CG 3.98Å; R593-W597 HydrophobicContact CB-CH2 3.96Å; R593-W597 HydrophobicContact CB-CZ3 4.21Å; R593-W597 WeakPolarHBondContact O-CZ3 3.29Å; K594-W597 HydrophobicContact CB-CZ2 4.28Å; K594-W597 PolarHBondContact O-N 3.21Å; R595-W597 VanDerWaalsContact C-N 3.28Å; R595-W597 PolarHBondContact O-N 3.41Å; W597-I664 HydrophobicContact CB-CD1 3.64Å; W597-I664 HydrophobicContact CB-CG1 4.32Å; W597-I664 HydrophobicContact CE3-CG2 3.99Å
598	L	86.1	Confident	79.4	Confident	29 Å²	29	53 Å²	53	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-113.4	-5.9	175.6	-54.5	178.5	0	0	0	114.8	I180 N186 R188 K594	I180-L598 HydrophobicContact CB-CB 4.32Å; I180-L598 HydrophobicContact CB-CD1 3.91Å; I180-L598 HydrophobicContact CD1-CB 4.35Å; I180-L598 HydrophobicContact CG2-CB 3.89Å; I180-L598 HydrophobicContact CG2-CD1 4.26Å; N186-L598 HydrophobicContact CB-CD2 4.36Å; R188-L598 HydrophobicContact CG-CD1 3.92Å; R188-L598 HydrophobicContact CG-CD2 3.88Å; K594-L598 HydrophobicContact CB-CD1 4.12Å; K594-L598 VanDerWaalsContact O-CB 3.25Å; K594-L598 WeakPolarHBondContact O-CB 3.17Å; K594-L598 WeakPolarHBondContact O-CG 3.17Å; K594-L598 PolarHBondContact O-N 2.87Å
599	Q	85	Confident	79.3	Confident	57 Å²	57	49.9 Å²	49.9	27%	0.266	27%	0.267	S	S	.	.	S	Bend	trans	-125.7	144.5	177.6	-61.8	-167.2	-54.3	0	0	112.5	I180 R595 R696	I180-Q599 HydrophobicContact CD1-CG 3.82Å; R595-Q599 HydrophobicContact CB-CB 4.43Å; R595-Q599 HydrophobicContact CB-CG 4.28Å; R595-Q599 HydrophobicContact CG-CG 4.44Å; R595-Q599 WeakPolarHBondContact O-CB 3.48Å; R595-Q599 PolarHBondContact O-N 3.27Å; R595-Q599 VanDerWaalsContact O-N 3.1Å; Q599-R696 PolarHBondContact O-NH1 3.04Å
600	S	83.6	Confident	79.6	Confident	54 Å²	54	48.8 Å²	48.8	38%	0.378	26%	0.258	S	S	.	.			trans	-66.7	158.1	175.7	72.8	0	0	0	0	111.4	L602 E603 S604	S600-L602 VanDerWaalsContact C-N 3.25Å; S600-L602 PolarHBondContact O-N 3Å; S600-E603 WeakPolarHBondContact CB-OE2 3.43Å; S600-E603 PolarHBondContact N-OE2 3.36Å; S600-E603 PolarHBondContact O-N 3.44Å; S600-E603 VanDerWaalsContact OG-CD 3.31Å; S600-E603 WeakPolarHBondContact OG-CG 3.38Å; S600-E603 PolarHBondContact OG-N 3.09Å; S600-E603 PolarHBondContact OG-OE2 3.16Å; S600-S604 WeakPolarHBondContact O-CB 3.38Å; S600-S604 PolarHBondContact O-N 3.2Å; S600-S604 PolarHBondContact O-OG 3.32Å
601	V	82.4	Confident	80.1	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.085	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-40.4	172.5	168	0	0	0	0	111.2	E603 S604 E605 Q659 R696	V601-E603 PolarHBondContact O-N 2.96Å; V601-S604 PolarHBondContact O-N 3.15Å; V601-E605 HydrophobicContact CG1-CG 4.05Å; V601-E605 WeakPolarHBondContact O-CB 3.34Å; V601-E605 WeakPolarHBondContact O-CG 3.44Å; V601-E605 PolarHBondContact O-N 2.69Å; V601-Q659 HydrophobicContact CG2-CG 4.11Å; V601-R696 HydrophobicContact CG2-CB 4.02Å
602	L	81.6	Confident	80.7	Confident	117 Å²	117	42.7 Å²	42.7	61%	0.613	23%	0.228	S	C	*	.	H	α-helix	trans	-66.6	-35	-176.8	-64.5	175.1	0	0	0	113.1	S600 K606	S600-L602 VanDerWaalsContact C-N 3.25Å; S600-L602 PolarHBondContact O-N 3Å; L602-K606 WeakPolarHBondContact O-CD 3.26Å; L602-K606 VanDerWaalsContact O-CG 3.24Å; L602-K606 WeakPolarHBondContact O-CG 3.22Å; L602-K606 PolarHBondContact O-N 2.89Å
603	E	80.6	Confident	81.5	Confident	104 Å²	104	44.3 Å²	44.3	49%	0.486	24%	0.235	S	C	.	.	H	α-helix	trans	-73	-41.9	172.6	-65.6	160.2	118.3	0	0	111.1	S600 V601 K606 G607	S600-E603 WeakPolarHBondContact CB-OE2 3.43Å; S600-E603 PolarHBondContact N-OE2 3.36Å; S600-E603 PolarHBondContact O-N 3.44Å; S600-E603 VanDerWaalsContact OG-CD 3.31Å; S600-E603 WeakPolarHBondContact OG-CG 3.38Å; S600-E603 PolarHBondContact OG-N 3.09Å; S600-E603 PolarHBondContact OG-OE2 3.16Å; V601-E603 PolarHBondContact O-N 2.96Å; E603-K606 PolarHBondContact O-N 2.87Å; E603-G607 PolarHBondContact O-N 3.28Å
604	S	79.9	Confident	82	Confident	1 Å²	1	42 Å²	42	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-68.4	-35.4	-177.5	-52	0	0	0	0	112.3	S600 V601 G607 G608 S609 C610 R696	S600-S604 WeakPolarHBondContact O-CB 3.38Å; S600-S604 PolarHBondContact O-N 3.2Å; S600-S604 PolarHBondContact O-OG 3.32Å; V601-S604 PolarHBondContact O-N 3.15Å; S604-G607 PolarHBondContact O-N 2.8Å; S604-G608 PolarHBondContact O-N 3.33Å; S604-S609 PolarHBondContact O-N 3.36Å; S604-C610 PolarHBondContact O-N 3.09Å; S604-R696 PolarHBondContact OG-NH2 2.98Å
605	E	79.3	Confident	82.5	Confident	39 Å²	39	45.5 Å²	45.5	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-40.4	172.3	-74.3	-167.3	144.3	0	0	111.6	V601 G607 G608 G612 R634	V601-E605 HydrophobicContact CG1-CG 4.05Å; V601-E605 WeakPolarHBondContact O-CB 3.34Å; V601-E605 WeakPolarHBondContact O-CG 3.44Å; V601-E605 PolarHBondContact O-N 2.69Å; E605-G607 PolarHBondContact O-N 3.01Å; E605-G608 WeakPolarHBondContact O-CA 3.37Å; E605-G608 PolarHBondContact O-N 3.49Å; E605-G612 PolarHBondContact OE1-N 3.1Å; E605-R634 IonicContact OE1-CZ 3.14Å; E605-R634 IonicContact OE1-NE 2.67Å; E605-R634 IonicContact OE1-NH2 2.78Å; E605-R634 PolarHBondContact OE1-NH2 3.39Å; E605-R634 IonicContact OE2-NH2 2.58Å; E605-R634 PolarHBondContact OE2-NH2 3.44Å
606	K	74.3	Confident	82.8	Confident	184 Å²	184	44.3 Å²	44.3	80%	0.8	24%	0.242	S	C	*	.	H	α-helix	trans	-60.2	-34.2	172.8	-75.7	170.2	-176	176.5	0	112.5	L602 E603 G608	L602-K606 WeakPolarHBondContact O-CD 3.26Å; L602-K606 VanDerWaalsContact O-CG 3.24Å; L602-K606 WeakPolarHBondContact O-CG 3.22Å; L602-K606 PolarHBondContact O-N 2.89Å; E603-K606 PolarHBondContact O-N 2.87Å; K606-G608 PolarHBondContact O-N 3.13Å
607	G	68.7	Low	82.9	Confident	62 Å²	62	45.7 Å²	45.7	64%	0.639	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.5	171.9	0	0	0	0	0	114.7	E603 S604 E605 S609	E603-G607 PolarHBondContact O-N 3.28Å; S604-G607 PolarHBondContact O-N 2.8Å; E605-G607 PolarHBondContact O-N 3.01Å; G607-S609 PolarHBondContact O-N 3.05Å
608	G	73.4	Confident	82.7	Confident	20 Å²	20	47.7 Å²	47.7	21%	0.206	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.1	-178.1	0	0	0	0	0	115.2	S604 E605 K606 G647	S604-G608 PolarHBondContact O-N 3.33Å; E605-G608 WeakPolarHBondContact O-CA 3.37Å; E605-G608 PolarHBondContact O-N 3.49Å; K606-G608 PolarHBondContact O-N 3.13Å; G608-G647 WeakPolarHBondContact O-CA 3.48Å; G608-G647 PolarHBondContact O-N 2.72Å
609	S	75.4	Confident	82.5	Confident	18 Å²	18	51.5 Å²	51.5	13%	0.126	31%	0.309	C	S	.	.	S	Bend	trans	-92.7	-1.9	-177	54.1	0	0	0	0	114.4	S604 G607 D698 S699	S604-S609 PolarHBondContact O-N 3.36Å; G607-S609 PolarHBondContact O-N 3.05Å; S609-D698 WeakPolarHBondContact O-CA 3.39Å; S609-S699 PolarHBondContact O-N 2.8Å; S609-S699 PolarHBondContact O-OG 2.82Å
610	C	85.5	Confident	82.5	Confident	7 Å²	7	50.2 Å²	50.2	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.5	-176.2	173.7	0	0	0	0	111	S604 L697 D698	S604-C610 PolarHBondContact O-N 3.09Å; C610-L697 CarbonylContact C-O 3.55Å; C610-L697 VanDerWaalsContact CA-O 3.3Å; C610-L697 WeakPolarHBondContact CA-O 3.35Å; C610-D698 WeakPolarHBondContact CB-OD1 3.23Å
611	V	86.9	Confident	82.6	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.3	162.9	-174.1	0	0	0	0	108.3	L614 F646 L648 R696 L697	V611-L614 HydrophobicContact CB-CD1 4.1Å; V611-L614 HydrophobicContact CG1-CD1 3.86Å; V611-L614 HydrophobicContact CG1-CD2 4.06Å; V611-L614 HydrophobicContact CG1-CG 4.06Å; V611-F646 HydrophobicContact CG1-CD1 4.44Å; V611-F646 HydrophobicContact CG1-CE1 3.9Å; V611-F646 HydrophobicContact CG2-CD1 3.56Å; V611-F646 HydrophobicContact CG2-CE1 3.89Å; V611-L648 HydrophobicContact CG2-CD1 4.03Å; V611-R696 WeakPolarHBondContact O-CA 3.17Å; V611-L697 PolarHBondContact N-O 3.11Å; V611-L697 PolarHBondContact O-N 3.32Å
612	G	87.4	Confident	82.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-171.7	176.9	0	0	0	0	0	113.5	E605 L614	E605-G612 PolarHBondContact OE1-N 3.1Å; G612-L614 PolarHBondContact O-N 3.34Å
613	N	87.4	Confident	81.9	Confident	39 Å²	39	52.4 Å²	52.4	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.7	37.6	-170.1	-54.8	-75.9	0	0	0	112.1	R634 S635 A638 Q659	N613-R634 WeakPolarHBondContact O-CA 3.49Å; N613-S635 PolarHBondContact O-N 3.16Å; N613-A638 HydrophobicContact CB-CB 4.41Å; N613-Q659 PolarHBondContact OD1-NE2 3.4Å; N613-Q659 PolarHBondContact OD1-OE1 2.82Å
614	L	89.7	Confident	81.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.8	-177.5	-70.3	175.1	0	0	0	111	V611 G612 F632 L633 R634 V679 F695 L697	V611-L614 HydrophobicContact CB-CD1 4.1Å; V611-L614 HydrophobicContact CG1-CD1 3.86Å; V611-L614 HydrophobicContact CG1-CD2 4.06Å; V611-L614 HydrophobicContact CG1-CG 4.06Å; G612-L614 PolarHBondContact O-N 3.34Å; L614-F632 HydrophobicContact CB-CB 4.1Å; L614-F632 HydrophobicContact CB-CD1 4.29Å; L614-F632 HydrophobicContact CB-CG 4.47Å; L614-F632 HydrophobicContact CD1-CB 4.5Å; L614-F632 HydrophobicContact CD2-CB 4.09Å; L614-F632 HydrophobicContact CG-CB 4.47Å; L614-L633 CarbonylContact C-O 3.52Å; L614-L633 WeakPolarHBondContact CA-O 3.26Å; L614-R634 HydrophobicContact CD2-CB 4.01Å; L614-R634 HydrophobicContact CD2-CG 4.3Å; L614-V679 HydrophobicContact CD2-CG2 4.24Å; L614-F695 HydrophobicContact CB-CB 4.34Å; L614-F695 PolarHBondContact N-O 2.76Å; L614-F695 PolarHBondContact O-N 2.82Å; L614-L697 HydrophobicContact CD1-CB 4.05Å; L614-L697 HydrophobicContact CD1-CD1 3.81Å; L614-L697 HydrophobicContact CD1-CD2 4.03Å; L614-L697 HydrophobicContact CD1-CG 4.16Å
615	Q	91.4	Very high	80.5	Confident	104 Å²	104	54.4 Å²	54.4	49%	0.486	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.9	174	-69.1	-179.3	-17.9	0	0	110.3	F632 L633	Q615-F632 CarbonylContact O-C 3.51Å; Q615-F632 WeakPolarHBondContact O-CA 3.47Å; Q615-L633 PolarHBondContact N-O 3.23Å; Q615-L633 PolarHBondContact O-N 3.16Å
616	L	90.8	Very high	80	Confident	46 Å²	46	54.5 Å²	54.5	24%	0.241	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.8	177	-175.1	62.2	0	0	0	110.5	V620 H630 F632 F695	L616-V620 HydrophobicContact CD1-CG2 4.32Å; L616-V620 HydrophobicContact CD2-CG2 4.22Å; L616-H630 HydrophobicContact CD1-CB 4.3Å; L616-F632 HydrophobicContact CB-CD1 4.46Å; L616-F632 HydrophobicContact CB-CE1 4.3Å; L616-F632 HydrophobicContact CD1-CD1 4.48Å; L616-F632 HydrophobicContact CD1-CE1 4.09Å; L616-F632 HydrophobicContact CD1-CZ 4.21Å; L616-F695 HydrophobicContact CB-CE2 4.23Å
617	S	87.1	Confident	80.4	Confident	36 Å²	36	47.5 Å²	47.5	25%	0.252	32%	0.321	S	S	.	.			trans	-142.2	128.4	-171.2	-177.1	0	0	0	0	112.8	R631 L633	S617-R631 PolarHBondContact N-O 3.09Å; S617-L633 VanDerWaalsContact OG-CD1 3.26Å; S617-L633 WeakPolarHBondContact OG-CD1 3.33Å
618	G	80.9	Confident	81.3	Confident	66 Å²	66	46.9 Å²	46.9	68%	0.68	30%	0.301	S	S	*	.	S	Bend	trans	78.3	-179.9	-173.4	0	0	0	0	0	112.8
619	S	81.3	Confident	82	Confident	108 Å²	108	47.1 Å²	47.1	76%	0.755	30%	0.299	S	S	*	.			trans	-75.6	137.8	173.5	43.9	0	0	0	0	111.4
620	V	85.4	Confident	82.9	Confident	30 Å²	30	46.4 Å²	46.4	18%	0.182	29%	0.293	C	S	.	.			trans	-69.1	138.1	167.8	-179.9	0	0	0	0	108.4	L616 F628 D686	L616-V620 HydrophobicContact CD1-CG2 4.32Å; L616-V620 HydrophobicContact CD2-CG2 4.22Å; V620-F628 HydrophobicContact CG1-CB 3.81Å; V620-F628 HydrophobicContact CG1-CD1 4.25Å; V620-F628 HydrophobicContact CG1-CG 4.47Å; V620-D686 WeakPolarHBondContact CB-OD1 3.33Å; V620-D686 WeakPolarHBondContact CG1-OD1 3.17Å; V620-D686 WeakPolarHBondContact CG2-OD1 3.32Å
621	T	84.4	Confident	83.2	Confident	76 Å²	76	53.5 Å²	53.5	47%	0.466	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.5	-178.9	42.2	0	0	0	0	111	Q623 V629	T621-Q623 PolarHBondContact O-N 2.84Å; T621-V629 PolarHBondContact N-O 2.99Å; T621-V629 PolarHBondContact O-N 3.02Å
622	A	78.8	Confident	83.4	Confident	75 Å²	75	53.2 Å²	53.2	62%	0.62	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.6	173.3	0	0	0	0	0	109.6	F628	A622-F628 HydrophobicContact CB-CD1 4.2Å; A622-F628 HydrophobicContact CB-CE1 4.23Å
623	Q	72.3	Confident	83.5	Confident	81 Å²	81	57 Å²	57	38%	0.379	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-31.5	175.2	175.3	171.9	-13.6	0	0	111.3	T621 V627 V629	T621-Q623 PolarHBondContact O-N 2.84Å; Q623-V627 PolarHBondContact N-O 3.47Å; Q623-V629 HydrophobicContact CB-CG2 3.92Å
624	S	65.9	Low	83.4	Confident	46 Å²	46	57.7 Å²	57.7	32%	0.322	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	174.6	166	60.2	0	0	0	0	108.4	G626 V627	S624-G626 PolarHBondContact O-N 2.99Å; S624-V627 PolarHBondContact N-O 3.39Å; S624-V627 PolarHBondContact O-N 3.4Å; S624-V627 WeakPolarHBondContact OG-CB 3.44Å; S624-V627 WeakPolarHBondContact OG-CG2 3.31Å
625	E	64.4	Low	82.8	Confident	101 Å²	101	59.9 Å²	59.9	47%	0.472	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	133.6	166.3	-175.4	166.4	-122.9	0	0	110.8	R305 N327 V627	R305-E625 IonicContact CZ-OE1 2.68Å; R305-E625 IonicContact NE-OE1 2.73Å; R305-E625 IonicContact NH2-OE1 2.64Å; R305-E625 PolarHBondContact NH2-OE1 2.64Å; N327-E625 PolarHBondContact ND2-OE2 2.95Å; E625-V627 PolarHBondContact O-N 3.25Å
626	G	69.4	Low	81.2	Confident	40 Å²	40	58.8 Å²	58.8	41%	0.412	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	13.8	-176.7	0	0	0	0	0	116.1	S624 D684	S624-G626 PolarHBondContact O-N 2.99Å; G626-D684 WeakPolarHBondContact O-CA 3.49Å
627	V	81.6	Confident	79.4	Confident	37 Å²	37	61.1 Å²	61.1	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	110.1	-179.6	-173.1	0	0	0	0	111.9	Q623 S624 E625 T682 L683	Q623-V627 PolarHBondContact N-O 3.47Å; S624-V627 PolarHBondContact N-O 3.39Å; S624-V627 PolarHBondContact O-N 3.4Å; S624-V627 WeakPolarHBondContact OG-CB 3.44Å; S624-V627 WeakPolarHBondContact OG-CG2 3.31Å; E625-V627 PolarHBondContact O-N 3.25Å; V627-T682 HydrophobicContact CG1-CG2 4.19Å; V627-L683 WeakPolarHBondContact CA-O 3.22Å
628	F	87.1	Confident	77.7	Confident	50 Å²	50	60.9 Å²	60.9	22%	0.219	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.8	-171.2	-60.7	-87.2	0	0	0	111.4	V620 A622 H630 T682 L683 R685 D686	V620-F628 HydrophobicContact CG1-CB 3.81Å; V620-F628 HydrophobicContact CG1-CD1 4.25Å; V620-F628 HydrophobicContact CG1-CG 4.47Å; A622-F628 HydrophobicContact CB-CD1 4.2Å; A622-F628 HydrophobicContact CB-CE1 4.23Å; F628-H630 VanDerWaalsContact CB-CE1 3.47Å; F628-H630 WeakPolarHBondContact CB-CE1 3.4Å; F628-H630 PolarHBondContact O-N 3.2Å; F628-H630 PolarHBondContact O-ND1 3.19Å; F628-T682 WeakPolarHBondContact O-CA 3.49Å; F628-L683 PolarHBondContact N-O 2.9Å; F628-L683 PolarHBondContact O-N 2.72Å; F628-R685 VanDerWaalsContact CD2-C 3.48Å; F628-D686 HydrophobicContact CD1-CB 3.89Å; F628-D686 HydrophobicContact CD2-CB 4.5Å; F628-D686 HydrophobicContact CE1-CB 3.97Å; F628-D686 HydrophobicContact CG-CB 4.16Å; F628-D686 HydrophobicContact CZ-CB 4.31Å
629	V	89.8	Confident	76.1	Confident	25 Å²	25	61.7 Å²	61.7	15%	0.152	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.9	175.9	-179.2	0	0	0	0	109.4	T621 Q623 C681 T682	T621-V629 PolarHBondContact N-O 2.99Å; T621-V629 PolarHBondContact O-N 3.02Å; Q623-V629 HydrophobicContact CB-CG2 3.92Å; V629-C681 WeakPolarHBondContact CA-O 3.37Å; V629-T682 HydrophobicContact CG2-CG2 3.98Å
630	H	93	Very high	74.3	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.009	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.4	176.9	-68.2	71.7	0	0	0	110.6	L616 F628 F632 S680 C681 L683 R685 D686 L687	L616-H630 HydrophobicContact CD1-CB 4.3Å; F628-H630 VanDerWaalsContact CB-CE1 3.47Å; F628-H630 WeakPolarHBondContact CB-CE1 3.4Å; F628-H630 PolarHBondContact O-N 3.2Å; F628-H630 PolarHBondContact O-ND1 3.19Å; H630-F632 HydrophobicContact CB-CD2 4.44Å; H630-F632 HydrophobicContact CB-CE2 3.68Å; H630-F632 HydrophobicContact CB-CZ 4.19Å; H630-S680 WeakPolarHBondContact O-CA 3.36Å; H630-C681 PolarHBondContact N-O 3.24Å; H630-C681 PolarHBondContact O-N 3.37Å; H630-L683 HydrophobicContact CB-CD1 4.19Å; H630-L683 HydrophobicContact CB-CG 4.5Å; H630-R685 PolarHBondContact CE1-O 2.63Å; H630-D686 IonicContact NE2-OD1 3.87Å; H630-L687 PolarHBondContact NE2-N 3.27Å
631	R	91.9	Very high	72.3	Confident	156 Å²	156	72.5 Å²	72.5	59%	0.589	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.4	170.2	175.2	-177.5	-68.9	173.3	-0.7	108.8	S617 V679	S617-R631 PolarHBondContact N-O 3.09Å; R631-V679 CarbonylContact C-O 3.6Å; R631-V679 WeakPolarHBondContact CA-O 3.04Å
632	F	91.2	Very high	70.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.9	177.5	-61.9	-91.3	0	0	0	110.1	L614 Q615 L616 H630 S678 V679 L683 L687 F695 L697	L614-F632 HydrophobicContact CB-CB 4.1Å; L614-F632 HydrophobicContact CB-CD1 4.29Å; L614-F632 HydrophobicContact CB-CG 4.47Å; L614-F632 HydrophobicContact CD1-CB 4.5Å; L614-F632 HydrophobicContact CD2-CB 4.09Å; L614-F632 HydrophobicContact CG-CB 4.47Å; Q615-F632 CarbonylContact O-C 3.51Å; Q615-F632 WeakPolarHBondContact O-CA 3.47Å; L616-F632 HydrophobicContact CB-CD1 4.46Å; L616-F632 HydrophobicContact CB-CE1 4.3Å; L616-F632 HydrophobicContact CD1-CD1 4.48Å; L616-F632 HydrophobicContact CD1-CE1 4.09Å; L616-F632 HydrophobicContact CD1-CZ 4.21Å; H630-F632 HydrophobicContact CB-CD2 4.44Å; H630-F632 HydrophobicContact CB-CE2 3.68Å; H630-F632 HydrophobicContact CB-CZ 4.19Å; F632-S678 CarbonylContact O-C 3.55Å; F632-S678 VanDerWaalsContact O-CA 3.23Å; F632-S678 WeakPolarHBondContact O-CA 3.5Å; F632-V679 PolarHBondContact N-O 2.85Å; F632-V679 PolarHBondContact O-N 3.5Å; F632-L683 HydrophobicContact CZ-CD1 4.45Å; F632-L687 HydrophobicContact CZ-CD1 4.42Å; F632-F695 HydrophobicContact CD1-CD2 4.13Å; F632-F695 HydrophobicContact CE1-CB 4.26Å; F632-F695 AromaticContact CE1-CD2 3.7Å; F632-F695 HydrophobicContact CE1-CD2 3.7Å; F632-F695 HydrophobicContact CE1-CE2 4.15Å; F632-F695 AromaticContact CE1-CG 3.92Å; F632-F695 HydrophobicContact CE1-CG 3.92Å; F632-L697 HydrophobicContact CD2-CD2 4.44Å; F632-L697 HydrophobicContact CE2-CD1 4.42Å
633	L	89.8	Confident	68.6	Low	78 Å²	78	72 Å²	72	41%	0.408	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.4	168.6	-69.4	173.2	0	0	0	109.4	L614 Q615 S617	L614-L633 CarbonylContact C-O 3.52Å; L614-L633 WeakPolarHBondContact CA-O 3.26Å; Q615-L633 PolarHBondContact N-O 3.23Å; Q615-L633 PolarHBondContact O-N 3.16Å; S617-L633 VanDerWaalsContact OG-CD1 3.26Å; S617-L633 WeakPolarHBondContact OG-CD1 3.33Å
634	R	84.9	Confident	67.4	Low	54 Å²	54	73.9 Å²	73.9	20%	0.204	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.7	172	-159.1	176.8	-171	-139	2.2	109.4	E605 N613 L614 A636 T677	E605-R634 IonicContact OE1-CZ 3.14Å; E605-R634 IonicContact OE1-NE 2.67Å; E605-R634 IonicContact OE1-NH2 2.78Å; E605-R634 PolarHBondContact OE1-NH2 3.39Å; E605-R634 IonicContact OE2-NH2 2.58Å; E605-R634 PolarHBondContact OE2-NH2 3.44Å; N613-R634 WeakPolarHBondContact O-CA 3.49Å; L614-R634 HydrophobicContact CD2-CB 4.01Å; L614-R634 HydrophobicContact CD2-CG 4.3Å; R634-A636 PolarHBondContact O-N 2.91Å; R634-T677 PolarHBondContact N-O 3.37Å
635	S	76.6	Confident	66.7	Low	47 Å²	47	78.6 Å²	78.6	33%	0.329	46%	0.459	S	S	.	.			trans	-63.2	132.7	-177.9	-177.7	0	0	0	0	112	N613 A637 A638	N613-S635 PolarHBondContact O-N 3.16Å; S635-A637 PolarHBondContact O-N 2.96Å; S635-A638 PolarHBondContact O-N 3.39Å
636	A	58.7	Low	66.4	Low	81 Å²	81	76.7 Å²	76.7	67%	0.669	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-62.6	-25.3	-175	0	0	0	0	0	113.8	R634 A638 S639	R634-A636 PolarHBondContact O-N 2.91Å; A636-A638 PolarHBondContact O-N 2.86Å; A636-A638 VanDerWaalsContact O-N 3.17Å; A636-S639 WeakPolarHBondContact O-CB 3.46Å; A636-S639 PolarHBondContact O-N 3.11Å; A636-S639 VanDerWaalsContact O-N 3.16Å; A636-S639 PolarHBondContact O-OG 3.4Å
637	A	52.6	Low	66.2	Low	95 Å²	95	77.3 Å²	77.3	79%	0.785	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.1	178.7	0	0	0	0	0	113.9	S635	S635-A637 PolarHBondContact O-N 2.96Å
638	A	51.2	Low	65.8	Low	30 Å²	30	76.1 Å²	76.1	25%	0.248	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-87.3	-0.5	179.1	0	0	0	0	0	114.2	N613 S635 A636 Q640	N613-A638 HydrophobicContact CB-CB 4.41Å; S635-A638 PolarHBondContact O-N 3.39Å; A636-A638 PolarHBondContact O-N 2.86Å; A636-A638 VanDerWaalsContact O-N 3.17Å; A638-Q640 VanDerWaalsContact C-N 3.34Å; A638-Q640 PolarHBondContact O-N 2.91Å
639	S	47.2	Very low	65.1	Low	84 Å²	84	77.3 Å²	77.3	59%	0.587	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.6	-164.6	60.7	0	0	0	0	116.7	A636	A636-S639 WeakPolarHBondContact O-CB 3.46Å; A636-S639 PolarHBondContact O-N 3.11Å; A636-S639 VanDerWaalsContact O-N 3.16Å; A636-S639 PolarHBondContact O-OG 3.4Å
640	Q	44.8	Very low	64.4	Low	187 Å²	187	79.8 Å²	79.8	87%	0.874	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.1	-174.5	-67.2	-160.5	-5.7	0	0	115.7	A638	A638-Q640 VanDerWaalsContact C-N 3.34Å; A638-Q640 PolarHBondContact O-N 2.91Å
641	Q	43.8	Very low	63.4	Low	178 Å²	178	82 Å²	82	83%	0.832	50%	0.501	S	S	*	.	S	Bend	trans	-136.7	117.3	172.5	-65.6	-171.7	1.2	0	0	111.3
642	G	44.6	Very low	62.7	Low	70 Å²	70	77.3 Å²	77.3	72%	0.722	49%	0.488	S	S	*	.			trans	81.1	56.4	169.2	0	0	0	0	0	116.4
643	A	41	Very low	62.4	Low	71 Å²	71	81.3 Å²	81.3	59%	0.587	50%	0.503	S	S	*	.			trans	-78.9	150.4	166.6	0	0	0	0	0	112.3
644	N	46.2	Very low	62.3	Low	119 Å²	119	77.6 Å²	77.6	64%	0.636	48%	0.483	S	S	*	.	S	Bend	trans	84.8	2.1	166	-57	-12.1	0	0	0	120.8
645	H	51.3	Low	62.6	Low	145 Å²	145	75.2 Å²	75.2	67%	0.671	48%	0.475	S	S	*	.			trans	-120.2	69.6	176.6	-73.3	-10.6	0	0	0	114.2	G647	H645-G647 PolarHBondContact O-N 2.97Å
646	F	58.7	Low	63.3	Low	61 Å²	61	73 Å²	73	27%	0.268	46%	0.459	S	S	.	.			trans	-66.3	118.5	158.6	-57.7	-68.6	0	0	0	109.4	V611 V674 N675	V611-F646 HydrophobicContact CG1-CD1 4.44Å; V611-F646 HydrophobicContact CG1-CE1 3.9Å; V611-F646 HydrophobicContact CG2-CD1 3.56Å; V611-F646 HydrophobicContact CG2-CE1 3.89Å; F646-V674 HydrophobicContact CB-CG1 4.11Å; F646-V674 HydrophobicContact CD1-CG1 4.15Å; F646-V674 HydrophobicContact CD2-CG1 3.5Å; F646-V674 VanDerWaalsContact CD2-CG1 3.5Å; F646-V674 HydrophobicContact CE1-CG1 4.46Å; F646-V674 HydrophobicContact CE2-CG1 3.86Å; F646-V674 HydrophobicContact CG-CG1 3.66Å; F646-V674 HydrophobicContact CZ-CG1 4.32Å; F646-N675 VanDerWaalsContact CE2-O 3.28Å; F646-N675 WeakPolarHBondContact CE2-O 3.28Å; F646-N675 WeakPolarHBondContact CZ-O 2.81Å
647	G	63.7	Low	64.9	Low	53 Å²	53	69.1 Å²	69.1	55%	0.546	43%	0.427	S	S	.	.			trans	-76.8	-13	167.3	0	0	0	0	0	113.1	G608 H645	G608-G647 WeakPolarHBondContact O-CA 3.48Å; G608-G647 PolarHBondContact O-N 2.72Å; H645-G647 PolarHBondContact O-N 2.97Å
648	L	73.4	Confident	66.6	Low	13 Å²	13	64.9 Å²	64.9	7%	0.068	39%	0.391	C	S	.	.			trans	-86.6	138.8	175.9	-51.7	-177.6	0	0	0	111.5	V611 I654 L671	V611-L648 HydrophobicContact CG2-CD1 4.03Å; L648-I654 HydrophobicContact CD1-CG2 4.39Å; L648-L671 HydrophobicContact CB-CD1 3.58Å; L648-L671 HydrophobicContact CD1-CD1 4.16Å; L648-L671 HydrophobicContact CG-CD1 4.43Å
649	T	72.8	Confident	68.4	Low	74 Å²	74	66.2 Å²	66.2	45%	0.454	39%	0.392	S	S	.	.			trans	-127.9	166	-178.1	65.9	0	0	0	0	112.4	G651 D652 L671	T649-G651 PolarHBondContact O-N 3.43Å; T649-D652 WeakPolarHBondContact CA-OD2 3.28Å; T649-D652 WeakPolarHBondContact CB-OD2 3.49Å; T649-D652 PolarHBondContact N-OD2 2.84Å; T649-D652 WeakPolarHBondContact O-CB 3.46Å; T649-D652 PolarHBondContact O-N 3.05Å; T649-D652 VanDerWaalsContact O-N 3.14Å; T649-D652 PolarHBondContact OG1-OD2 2.87Å; T649-L671 WeakPolarHBondContact O-CD1 3.23Å
650	S	75.1	Confident	70	Confident	78 Å²	78	68.7 Å²	68.7	55%	0.545	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	130.2	177.6	-172.7	0	0	0	0	111.1	K672	S650-K672 PolarHBondContact OG-O 3.05Å
651	G	71.8	Confident	71.5	Confident	49 Å²	49	61.2 Å²	61.2	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-14.8	-173.5	0	0	0	0	0	114.5	T649 L671	T649-G651 PolarHBondContact O-N 3.43Å; G651-L671 PolarHBondContact N-O 3.38Å
652	D	78.3	Confident	73.1	Confident	56 Å²	56	60.9 Å²	60.9	30%	0.299	36%	0.359	S	S	.	.			trans	-68.2	143.9	175.6	-70.1	-41	0	0	0	111.3	T649 Y670 L671	T649-D652 WeakPolarHBondContact CA-OD2 3.28Å; T649-D652 WeakPolarHBondContact CB-OD2 3.49Å; T649-D652 PolarHBondContact N-OD2 2.84Å; T649-D652 WeakPolarHBondContact O-CB 3.46Å; T649-D652 PolarHBondContact O-N 3.05Å; T649-D652 VanDerWaalsContact O-N 3.14Å; T649-D652 PolarHBondContact OG1-OD2 2.87Å; D652-Y670 WeakPolarHBondContact O-CA 3.49Å; D652-L671 HydrophobicContact CB-CD1 4.36Å; D652-L671 PolarHBondContact O-N 3.47Å
653	R	83.4	Confident	75	Confident	85 Å²	85	59 Å²	59	32%	0.321	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.2	178	180	-175.4	170.1	125	16.8	109.9	G669 Y670 D700	R653-G669 CarbonylContact C-O 3.57Å; R653-G669 WeakPolarHBondContact CA-O 3.26Å; R653-Y670 HydrophobicContact CB-CD1 3.97Å; R653-Y670 HydrophobicContact CB-CE1 3.76Å; R653-Y670 HydrophobicContact CG-CE1 4.2Å; R653-D700 VanDerWaalsContact CB-O 3.26Å; R653-D700 WeakPolarHBondContact CB-O 3.32Å; R653-D700 VanDerWaalsContact CD-O 3.28Å; R653-D700 WeakPolarHBondContact CD-O 3.29Å; R653-D700 HydrophobicContact CG-CB 4.2Å; R653-D700 VanDerWaalsContact CG-O 3.28Å; R653-D700 WeakPolarHBondContact CG-O 3.43Å; R653-D700 IonicContact CZ-OD2 2.83Å; R653-D700 VanDerWaalsContact CZ-OD2 3.31Å; R653-D700 IonicContact NE-OD2 3.37Å; R653-D700 PolarHBondContact NE-OD2 3.06Å; R653-D700 IonicContact NH2-OD2 2.79Å; R653-D700 PolarHBondContact NH2-OD2 3.29Å; R653-D700 PolarHBondContact O-N 2.84Å
654	I	89.4	Confident	77.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157	-177.1	53.2	157.2	0	0	0	112.6	L648 V656 T668 G669 L671 C681 L683 L697 D698	L648-I654 HydrophobicContact CD1-CG2 4.39Å; I654-V656 HydrophobicContact CD1-CG2 4.19Å; I654-T668 WeakPolarHBondContact O-CA 3.44Å; I654-G669 PolarHBondContact N-O 3.02Å; I654-G669 PolarHBondContact O-N 2.97Å; I654-L671 HydrophobicContact CD1-CD2 4.04Å; I654-L671 HydrophobicContact CD1-CG 4.45Å; I654-L671 HydrophobicContact CG2-CD1 3.92Å; I654-L671 HydrophobicContact CG2-CD2 4.21Å; I654-L671 HydrophobicContact CG2-CG 3.8Å; I654-C681 HydrophobicContact CD1-CB 3.8Å; I654-L683 HydrophobicContact CD1-CD2 4.01Å; I654-L697 HydrophobicContact CD1-CD2 3.84Å; I654-L697 HydrophobicContact CD1-CG 3.94Å; I654-D698 VanDerWaalsContact CA-O 3.25Å; I654-D698 WeakPolarHBondContact CA-O 3.44Å
655	V	90.4	Very high	79.1	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.2	159.1	58.7	0	0	0	0	109.1	W397 V596 T668 D698 D700	W397-V655 HydrophobicContact CH2-CB 4.39Å; W397-V655 HydrophobicContact CH2-CG2 3.86Å; W397-V655 HydrophobicContact CZ3-CG2 3.96Å; V596-V655 HydrophobicContact CG2-CG1 3.99Å; V655-T668 HydrophobicContact CB-CG2 4.46Å; V655-T668 HydrophobicContact CG2-CG2 4.3Å; V655-D698 HydrophobicContact CG1-CB 3.98Å; V655-D698 PolarHBondContact N-O 2.55Å; V655-D698 PolarHBondContact O-N 3.34Å; V655-D698 VanDerWaalsContact O-N 3.09Å; V655-D700 HydrophobicContact CB-CB 4.34Å; V655-D700 HydrophobicContact CG1-CB 4.38Å
656	V	91.8	Very high	80.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.1	173.7	-176.9	0	0	0	0	108.8	I654 L666 A667 L683 L687 F695 L697	I654-V656 HydrophobicContact CD1-CG2 4.19Å; V656-L666 PolarHBondContact O-N 2.76Å; V656-A667 PolarHBondContact N-O 3.03Å; V656-L683 HydrophobicContact CG2-CD1 3.82Å; V656-L683 HydrophobicContact CG2-CD2 3.7Å; V656-L683 HydrophobicContact CG2-CG 4.45Å; V656-L687 HydrophobicContact CB-CD1 4.32Å; V656-L687 HydrophobicContact CG1-CD1 3.76Å; V656-F695 HydrophobicContact CG1-CB 4.4Å; V656-F695 HydrophobicContact CG1-CD1 3.77Å; V656-F695 HydrophobicContact CG1-CE1 4.49Å; V656-F695 HydrophobicContact CG1-CG 4.39Å; V656-L697 HydrophobicContact CB-CD1 4.32Å; V656-L697 HydrophobicContact CG1-CD1 3.96Å; V656-L697 HydrophobicContact CG2-CD1 3.77Å; V656-L697 HydrophobicContact CG2-CG 4.08Å
657	S	91.3	Very high	82.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	168.1	171.5	-53.7	0	0	0	0	109.5	L663 G665 F695 R696	S657-L663 WeakPolarHBondContact CA-O 3.26Å; S657-G665 PolarHBondContact OG-N 2.88Å; S657-F695 WeakPolarHBondContact O-CA 3.42Å; S657-R696 PolarHBondContact N-O 2.93Å; S657-R696 PolarHBondContact O-N 2.8Å
658	D	89.8	Confident	83.4	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	160.6	161.3	73.1	-40.3	0	0	0	111.3	E660 G661 R662 L663 V693 R696	D658-E660 VanDerWaalsContact C-N 3.33Å; D658-E660 WeakPolarHBondContact OD2-CB 3.37Å; D658-E660 PolarHBondContact OD2-N 2.83Å; D658-G661 WeakPolarHBondContact OD1-CA 3.16Å; D658-G661 PolarHBondContact OD1-N 3.41Å; D658-G661 PolarHBondContact OD2-N 3.2Å; D658-G661 VanDerWaalsContact OD2-N 3.12Å; D658-R662 PolarHBondContact OD1-N 3.18Å; D658-R662 VanDerWaalsContact OD1-N 3.07Å; D658-R662 PolarHBondContact OD2-N 2.97Å; D658-L663 HydrophobicContact CB-CB 4.03Å; D658-L663 VanDerWaalsContact CG-N 3.25Å; D658-L663 PolarHBondContact N-O 3.41Å; D658-L663 VanDerWaalsContact OD1-C 3.27Å; D658-L663 WeakPolarHBondContact OD1-CA 3.27Å; D658-L663 PolarHBondContact OD1-N 3.5Å; D658-L663 PolarHBondContact OD2-N 2.97Å; D658-V693 HydrophobicContact CB-CG1 3.83Å; D658-R696 WeakPolarHBondContact O-CG 3.49Å
659	Q	87.1	Confident	84.1	Confident	58 Å²	58	39.4 Å²	39.4	27%	0.271	22%	0.216	S	C	.	.	S	Bend	trans	-75.1	-21.8	177.9	174.2	161.7	-25.1	0	0	113.3	V601 N613 S694	V601-Q659 HydrophobicContact CG2-CG 4.11Å; N613-Q659 PolarHBondContact OD1-NE2 3.4Å; N613-Q659 PolarHBondContact OD1-OE1 2.82Å; Q659-S694 WeakPolarHBondContact CB-O 3.4Å; Q659-S694 PolarHBondContact N-O 2.72Å; Q659-S694 PolarHBondContact OE1-OG 2.84Å
660	E	81.2	Confident	84.8	Confident	136 Å²	136	38.9 Å²	38.9	64%	0.636	21%	0.206	S	C	*	.	S	Bend	trans	-91.2	-8.8	-176.4	-58.8	171.6	-179.7	0	0	113	D658 R662	D658-E660 VanDerWaalsContact C-N 3.33Å; D658-E660 WeakPolarHBondContact OD2-CB 3.37Å; D658-E660 PolarHBondContact OD2-N 2.83Å; E660-R662 HydrophobicContact CB-CG 4.3Å; E660-R662 IonicContact OE2-CZ 2.66Å; E660-R662 IonicContact OE2-NE 2.68Å; E660-R662 PolarHBondContact OE2-NE 2.76Å; E660-R662 IonicContact OE2-NH2 3.91Å; E660-R662 PolarHBondContact OE2-NH2 3.36Å
661	G	76.6	Confident	85.3	Confident	31 Å²	31	35.4 Å²	35.4	32%	0.32	18%	0.182	S	C	.	.	S	Bend	trans	78.8	13.3	178.6	0	0	0	0	0	114.9	D658 I664	D658-G661 WeakPolarHBondContact OD1-CA 3.16Å; D658-G661 PolarHBondContact OD1-N 3.41Å; D658-G661 PolarHBondContact OD2-N 3.2Å; D658-G661 VanDerWaalsContact OD2-N 3.12Å; G661-I664 WeakPolarHBondContact O-CD1 3.43Å
662	R	78.3	Confident	85.8	Confident	171 Å²	171	38.5 Å²	38.5	65%	0.645	18%	0.181	S	C	*	.	S	Bend	trans	-84.7	-22.6	177.5	-57.3	-165.6	-78.8	158.7	-7.3	112.7	D658 E660	D658-R662 PolarHBondContact OD1-N 3.18Å; D658-R662 VanDerWaalsContact OD1-N 3.07Å; D658-R662 PolarHBondContact OD2-N 2.97Å; E660-R662 HydrophobicContact CB-CG 4.3Å; E660-R662 IonicContact OE2-CZ 2.66Å; E660-R662 IonicContact OE2-NE 2.68Å; E660-R662 PolarHBondContact OE2-NE 2.76Å; E660-R662 IonicContact OE2-NH2 3.91Å; E660-R662 PolarHBondContact OE2-NH2 3.36Å
663	L	84.2	Confident	85.9	Confident	31 Å²	31	36.8 Å²	36.8	16%	0.162	18%	0.176	C	C	.	.	S	Bend	trans	-129.8	62.9	-176.6	-60.5	176	0	0	0	109.5	R460 S657 D658 L666 F690	R460-L663 HydrophobicContact CG-CD2 3.95Å; S657-L663 WeakPolarHBondContact CA-O 3.26Å; D658-L663 HydrophobicContact CB-CB 4.03Å; D658-L663 VanDerWaalsContact CG-N 3.25Å; D658-L663 PolarHBondContact N-O 3.41Å; D658-L663 VanDerWaalsContact OD1-C 3.27Å; D658-L663 WeakPolarHBondContact OD1-CA 3.27Å; D658-L663 PolarHBondContact OD1-N 3.5Å; D658-L663 PolarHBondContact OD2-N 2.97Å; L663-L666 HydrophobicContact CB-CD1 3.83Å; L663-L666 HydrophobicContact CB-CD2 3.99Å; L663-L666 HydrophobicContact CB-CG 3.82Å; L663-L666 HydrophobicContact CD1-CD1 4.22Å; L663-L666 HydrophobicContact CD1-CD2 4.44Å; L663-F690 HydrophobicContact CD1-CD1 3.95Å; L663-F690 HydrophobicContact CD1-CE1 3.92Å
664	I	86.7	Confident	85.6	Confident	13 Å²	13	34.6 Å²	34.6	7%	0.067	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	134.2	175.2	-62.3	156.1	0	0	0	109.7	W397 P399 R460 V596 W597 G661	W397-I664 HydrophobicContact CE3-CG2 4.39Å; P399-I664 HydrophobicContact CG-CD1 3.94Å; R460-I664 PolarHBondContact NH2-O 3.01Å; R460-I664 VanDerWaalsContact NH2-O 3.07Å; V596-I664 HydrophobicContact CG1-CG2 4.49Å; W597-I664 HydrophobicContact CB-CD1 3.64Å; W597-I664 HydrophobicContact CB-CG1 4.32Å; W597-I664 HydrophobicContact CE3-CG2 3.99Å; G661-I664 WeakPolarHBondContact O-CD1 3.43Å
665	G	85.1	Confident	84.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.01	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	40.3	171.1	0	0	0	0	0	114.7	S657 A667	S657-G665 PolarHBondContact OG-N 2.88Å; G665-A667 VanDerWaalsContact C-N 3.29Å; G665-A667 PolarHBondContact O-N 2.89Å
666	L	88.3	Confident	83.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-57.7	-40.6	179.3	-81.7	172.4	0	0	0	113.2	V656 L663 R685 L687 F690 F695	V656-L666 PolarHBondContact O-N 2.76Å; L663-L666 HydrophobicContact CB-CD1 3.83Å; L663-L666 HydrophobicContact CB-CD2 3.99Å; L663-L666 HydrophobicContact CB-CG 3.82Å; L663-L666 HydrophobicContact CD1-CD1 4.22Å; L663-L666 HydrophobicContact CD1-CD2 4.44Å; L666-R685 PolarHBondContact O-NH1 2.66Å; L666-L687 HydrophobicContact CB-CD2 4.06Å; L666-F690 HydrophobicContact CD2-CE1 3.93Å; L666-F690 HydrophobicContact CD2-CE2 4Å; L666-F690 HydrophobicContact CD2-CZ 3.59Å; L666-F695 HydrophobicContact CD1-CD1 4.48Å; L666-F695 HydrophobicContact CD1-CE1 3.98Å
667	A	88.4	Confident	83.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.4	179.6	0	0	0	0	0	110.9	V656 G665 L683 D684 R685 L687	V656-A667 PolarHBondContact N-O 3.03Å; G665-A667 VanDerWaalsContact C-N 3.29Å; G665-A667 PolarHBondContact O-N 2.89Å; A667-L683 HydrophobicContact CB-CB 4.15Å; A667-L683 HydrophobicContact CB-CD1 4.15Å; A667-D684 WeakPolarHBondContact CA-OD1 3.36Å; A667-D684 WeakPolarHBondContact CB-OD1 3.42Å; A667-R685 HydrophobicContact CB-CB 4.25Å; A667-L687 HydrophobicContact CB-CD1 4.3Å; A667-L687 HydrophobicContact CB-CD2 4.16Å; A667-L687 HydrophobicContact CB-CG 4.44Å
668	T	89	Confident	83	Confident	26 Å²	26	47.7 Å²	47.7	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159.6	168.9	75.7	0	0	0	0	111.2	W397 I654 V655 L683 D684	W397-T668 HydrophobicContact CH2-CG2 4.31Å; W397-T668 HydrophobicContact CZ2-CG2 4.05Å; I654-T668 WeakPolarHBondContact O-CA 3.44Å; V655-T668 HydrophobicContact CB-CG2 4.46Å; V655-T668 HydrophobicContact CG2-CG2 4.3Å; T668-L683 WeakPolarHBondContact O-CA 3.36Å; T668-D684 WeakPolarHBondContact CA-OD2 3.34Å; T668-D684 WeakPolarHBondContact CB-OD2 3.29Å; T668-D684 VanDerWaalsContact N-CG 3.26Å; T668-D684 PolarHBondContact N-OD1 2.69Å; T668-D684 PolarHBondContact N-OD2 3.4Å; T668-D684 PolarHBondContact O-N 3.47Å; T668-D684 PolarHBondContact OG1-OD2 2.69Å
669	G	88.1	Confident	82.9	Confident	8 Å²	8	47.8 Å²	47.8	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-160.4	-174	0	0	0	0	0	115.7	R653 I654 T682	R653-G669 CarbonylContact C-O 3.57Å; R653-G669 WeakPolarHBondContact CA-O 3.26Å; I654-G669 PolarHBondContact N-O 3.02Å; I654-G669 PolarHBondContact O-N 2.97Å; G669-T682 CarbonylContact C-O 3.59Å; G669-T682 WeakPolarHBondContact CA-O 3.41Å
670	Y	86.5	Confident	83.1	Confident	63 Å²	63	46.2 Å²	46.2	25%	0.247	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.8	-178.9	-66.2	-77.3	0	0	0	111.3	D652 R653 C681 T682 K839	D652-Y670 WeakPolarHBondContact O-CA 3.49Å; R653-Y670 HydrophobicContact CB-CD1 3.97Å; R653-Y670 HydrophobicContact CB-CE1 3.76Å; R653-Y670 HydrophobicContact CG-CE1 4.2Å; Y670-C681 CarbonylContact O-C 3.42Å; Y670-C681 WeakPolarHBondContact O-CA 3.21Å; Y670-C681 WeakPolarHBondContact O-CB 3.35Å; Y670-T682 PolarHBondContact N-O 3Å; Y670-T682 PolarHBondContact O-N 3.01Å; Y670-K839 PolarHBondContact OH-NZ 3.03Å
671	L	86.5	Confident	83.6	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136	173.3	-67.6	171.8	0	0	0	111.2	L648 T649 G651 D652 I654 V674 V679 C681 L697	L648-L671 HydrophobicContact CB-CD1 3.58Å; L648-L671 HydrophobicContact CD1-CD1 4.16Å; L648-L671 HydrophobicContact CG-CD1 4.43Å; T649-L671 WeakPolarHBondContact O-CD1 3.23Å; G651-L671 PolarHBondContact N-O 3.38Å; D652-L671 HydrophobicContact CB-CD1 4.36Å; D652-L671 PolarHBondContact O-N 3.47Å; I654-L671 HydrophobicContact CD1-CD2 4.04Å; I654-L671 HydrophobicContact CD1-CG 4.45Å; I654-L671 HydrophobicContact CG2-CD1 3.92Å; I654-L671 HydrophobicContact CG2-CD2 4.21Å; I654-L671 HydrophobicContact CG2-CG 3.8Å; L671-V674 HydrophobicContact CD1-CG2 4.17Å; L671-V674 HydrophobicContact CD2-CG2 4.45Å; L671-V679 HydrophobicContact CD2-CG1 3.45Å; L671-V679 VanDerWaalsContact CD2-CG1 3.45Å; L671-C681 HydrophobicContact CD2-CB 4.24Å; L671-L697 HydrophobicContact CD2-CD2 4.31Å
672	K	82.7	Confident	84.2	Confident	114 Å²	114	38.7 Å²	38.7	50%	0.496	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-22.4	179.8	-175.5	173.8	-179.4	174.1	0	112.9	S650 S680	S650-K672 PolarHBondContact OG-O 3.05Å; K672-S680 PolarHBondContact N-O 3Å
673	G	78.7	Confident	84.8	Confident	19 Å²	19	30.7 Å²	30.7	20%	0.196	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	140.3	178.2	0	0	0	0	0	111.1	S680	G673-S680 PolarHBondContact N-O 2.98Å; G673-S680 PolarHBondContact N-OG 3.16Å; G673-S680 PolarHBondContact O-N 3.48Å; G673-S680 PolarHBondContact O-OG 2.88Å
674	V	77.7	Confident	84.8	Confident	40 Å²	40	32 Å²	32	24%	0.242	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.2	-176	-177.6	0	0	0	0	108.3	F646 L671	F646-V674 HydrophobicContact CB-CG1 4.11Å; F646-V674 HydrophobicContact CD1-CG1 4.15Å; F646-V674 HydrophobicContact CD2-CG1 3.5Å; F646-V674 VanDerWaalsContact CD2-CG1 3.5Å; F646-V674 HydrophobicContact CE1-CG1 4.46Å; F646-V674 HydrophobicContact CE2-CG1 3.86Å; F646-V674 HydrophobicContact CG-CG1 3.66Å; F646-V674 HydrophobicContact CZ-CG1 4.32Å; L671-V674 HydrophobicContact CD1-CG2 4.17Å; L671-V674 HydrophobicContact CD2-CG2 4.45Å
675	N	75.6	Confident	84.8	Confident	98 Å²	98	32.4 Å²	32.4	52%	0.524	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	163.7	178.3	-57.9	-32.5	0	0	0	109.4	F646 T677 S678	F646-N675 VanDerWaalsContact CE2-O 3.28Å; F646-N675 WeakPolarHBondContact CE2-O 3.28Å; F646-N675 WeakPolarHBondContact CZ-O 2.81Å; N675-T677 PolarHBondContact O-N 3.12Å; N675-S678 WeakPolarHBondContact CB-OG 3.21Å; N675-S678 PolarHBondContact N-O 3.25Å; N675-S678 PolarHBondContact ND2-OG 2.93Å; N675-S678 VanDerWaalsContact ND2-OG 3.16Å; N675-S678 PolarHBondContact O-N 3.48Å
676	A	69.6	Low	84.8	Confident	68 Å²	68	34.9 Å²	34.9	56%	0.562	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.4	179	0	0	0	0	0	115
677	T	76.3	Confident	84.8	Confident	93 Å²	93	34.9 Å²	34.9	57%	0.571	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-7	-175.3	55.3	0	0	0	0	114.5	R634 N675	R634-T677 PolarHBondContact N-O 3.37Å; N675-T677 PolarHBondContact O-N 3.12Å
678	S	86.3	Confident	84.7	Confident	19 Å²	19	37.6 Å²	37.6	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.1	-170.9	47.6	0	0	0	0	113.5	F632 N675	F632-S678 CarbonylContact O-C 3.55Å; F632-S678 VanDerWaalsContact O-CA 3.23Å; F632-S678 WeakPolarHBondContact O-CA 3.5Å; N675-S678 WeakPolarHBondContact CB-OG 3.21Å; N675-S678 PolarHBondContact N-O 3.25Å; N675-S678 PolarHBondContact ND2-OG 2.93Å; N675-S678 VanDerWaalsContact ND2-OG 3.16Å; N675-S678 PolarHBondContact O-N 3.48Å
679	V	88.9	Confident	84.5	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.6	176.6	-176.4	0	0	0	0	108.6	L614 R631 F632 L671 L697	L614-V679 HydrophobicContact CD2-CG2 4.24Å; R631-V679 CarbonylContact C-O 3.6Å; R631-V679 WeakPolarHBondContact CA-O 3.04Å; F632-V679 PolarHBondContact N-O 2.85Å; F632-V679 PolarHBondContact O-N 3.5Å; L671-V679 HydrophobicContact CD2-CG1 3.45Å; L671-V679 VanDerWaalsContact CD2-CG1 3.45Å; V679-L697 HydrophobicContact CB-CD2 4.44Å; V679-L697 HydrophobicContact CG1-CD2 3.71Å
680	S	90.6	Very high	84.2	Confident	25 Å²	25	43.4 Å²	43.4	18%	0.175	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140	175.1	61.8	0	0	0	0	111.1	H630 K672 G673	H630-S680 WeakPolarHBondContact O-CA 3.36Å; K672-S680 PolarHBondContact N-O 3Å; G673-S680 PolarHBondContact N-O 2.98Å; G673-S680 PolarHBondContact N-OG 3.16Å; G673-S680 PolarHBondContact O-N 3.48Å; G673-S680 PolarHBondContact O-OG 2.88Å
681	C	91.2	Very high	83.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.4	-174	56.3	0	0	0	0	112.1	V629 H630 I654 Y670 L671 L683	V629-C681 WeakPolarHBondContact CA-O 3.37Å; H630-C681 PolarHBondContact N-O 3.24Å; H630-C681 PolarHBondContact O-N 3.37Å; I654-C681 HydrophobicContact CD1-CB 3.8Å; Y670-C681 CarbonylContact O-C 3.42Å; Y670-C681 WeakPolarHBondContact O-CA 3.21Å; Y670-C681 WeakPolarHBondContact O-CB 3.35Å; L671-C681 HydrophobicContact CD2-CB 4.24Å; C681-L683 HydrophobicContact CB-CD2 4.32Å
682	T	90.4	Very high	83.5	Confident	9 Å²	9	49 Å²	49	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.9	166.7	51.8	0	0	0	0	108.6	V627 F628 V629 G669 Y670	V627-T682 HydrophobicContact CG1-CG2 4.19Å; F628-T682 WeakPolarHBondContact O-CA 3.49Å; V629-T682 HydrophobicContact CG2-CG2 3.98Å; G669-T682 CarbonylContact C-O 3.59Å; G669-T682 WeakPolarHBondContact CA-O 3.41Å; Y670-T682 PolarHBondContact N-O 3Å; Y670-T682 PolarHBondContact O-N 3.01Å
683	L	89.7	Confident	83.8	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	157.1	-177.6	-57.1	-176.2	0	0	0	111.6	V627 F628 H630 F632 I654 V656 A667 T668 C681 R685 L687	V627-L683 WeakPolarHBondContact CA-O 3.22Å; F628-L683 PolarHBondContact N-O 2.9Å; F628-L683 PolarHBondContact O-N 2.72Å; H630-L683 HydrophobicContact CB-CD1 4.19Å; H630-L683 HydrophobicContact CB-CG 4.5Å; F632-L683 HydrophobicContact CZ-CD1 4.45Å; I654-L683 HydrophobicContact CD1-CD2 4.01Å; V656-L683 HydrophobicContact CG2-CD1 3.82Å; V656-L683 HydrophobicContact CG2-CD2 3.7Å; V656-L683 HydrophobicContact CG2-CG 4.45Å; A667-L683 HydrophobicContact CB-CB 4.15Å; A667-L683 HydrophobicContact CB-CD1 4.15Å; T668-L683 WeakPolarHBondContact O-CA 3.36Å; C681-L683 HydrophobicContact CB-CD2 4.32Å; L683-R685 VanDerWaalsContact C-N 3.32Å; L683-L687 HydrophobicContact CD1-CD1 3.59Å; L683-L687 HydrophobicContact CD1-CG 4.21Å
684	D	84.9	Confident	84.4	Confident	58 Å²	58	46.2 Å²	46.2	31%	0.31	29%	0.293	S	S	.	.	S	Bend	trans	-76.9	-10.1	178.4	53.3	19.5	0	0	0	115	G626 A667 T668	G626-D684 WeakPolarHBondContact O-CA 3.49Å; A667-D684 WeakPolarHBondContact CA-OD1 3.36Å; A667-D684 WeakPolarHBondContact CB-OD1 3.42Å; T668-D684 WeakPolarHBondContact CA-OD2 3.34Å; T668-D684 WeakPolarHBondContact CB-OD2 3.29Å; T668-D684 VanDerWaalsContact N-CG 3.26Å; T668-D684 PolarHBondContact N-OD1 2.69Å; T668-D684 PolarHBondContact N-OD2 3.4Å; T668-D684 PolarHBondContact O-N 3.47Å; T668-D684 PolarHBondContact OG1-OD2 2.69Å
685	R	85.8	Confident	85.1	Confident	22 Å²	22	44.4 Å²	44.4	8%	0.083	28%	0.281	C	S	.	.	S	Bend	trans	-143.3	147.8	-178.3	-179.3	170.9	169.5	-141.2	7.5	110.8	D391 F628 H630 L666 A667 L683	D391-R685 IonicContact OD2-CZ 3.18Å; D391-R685 IonicContact OD2-NE 2.73Å; D391-R685 IonicContact OD2-NH2 2.69Å; D391-R685 PolarHBondContact OD2-NH2 3.18Å; F628-R685 VanDerWaalsContact CD2-C 3.48Å; H630-R685 PolarHBondContact CE1-O 2.63Å; L666-R685 PolarHBondContact O-NH1 2.66Å; A667-R685 HydrophobicContact CB-CB 4.25Å; L683-R685 VanDerWaalsContact C-N 3.32Å
686	D	86.3	Confident	85.8	Confident	53 Å²	53	40.2 Å²	40.2	28%	0.283	26%	0.258	S	S	.	.			trans	-74.9	126.6	170.9	-179.4	17.4	0	0	0	110.6	V620 F628 H630 S688	V620-D686 WeakPolarHBondContact CB-OD1 3.33Å; V620-D686 WeakPolarHBondContact CG1-OD1 3.17Å; V620-D686 WeakPolarHBondContact CG2-OD1 3.32Å; F628-D686 HydrophobicContact CD1-CB 3.89Å; F628-D686 HydrophobicContact CD2-CB 4.5Å; F628-D686 HydrophobicContact CE1-CB 3.97Å; F628-D686 HydrophobicContact CG-CB 4.16Å; F628-D686 HydrophobicContact CZ-CB 4.31Å; H630-D686 IonicContact NE2-OD1 3.87Å; D686-S688 VanDerWaalsContact OD1-CB 3.23Å; D686-S688 WeakPolarHBondContact OD1-CB 3.37Å; D686-S688 PolarHBondContact OD1-N 3.32Å; D686-S688 PolarHBondContact OD1-OG 3.02Å; D686-S688 WeakPolarHBondContact OD2-CB 3.47Å; D686-S688 PolarHBondContact OD2-OG 3.05Å
687	L	88.6	Confident	86.9	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.231	C	C	.	.			trans	-101.4	8.5	177.9	-57.5	-178	0	0	0	113.5	H630 F632 V656 L666 A667 L683 K689 F690 F695	H630-L687 PolarHBondContact NE2-N 3.27Å; F632-L687 HydrophobicContact CZ-CD1 4.42Å; V656-L687 HydrophobicContact CB-CD1 4.32Å; V656-L687 HydrophobicContact CG1-CD1 3.76Å; L666-L687 HydrophobicContact CB-CD2 4.06Å; A667-L687 HydrophobicContact CB-CD1 4.3Å; A667-L687 HydrophobicContact CB-CD2 4.16Å; A667-L687 HydrophobicContact CB-CG 4.44Å; L683-L687 HydrophobicContact CD1-CD1 3.59Å; L683-L687 HydrophobicContact CD1-CG 4.21Å; L687-K689 PolarHBondContact O-N 3.35Å; L687-K689 VanDerWaalsContact O-N 3.14Å; L687-F690 HydrophobicContact CB-CD2 4.25Å; L687-F690 HydrophobicContact CD2-CD2 3.96Å; L687-F690 HydrophobicContact CD2-CE2 4.06Å; L687-F690 PolarHBondContact O-N 2.86Å; L687-F695 HydrophobicContact CD1-CE1 4.3Å
688	S	86.2	Confident	87.5	Confident	58 Å²	58	32.7 Å²	32.7	41%	0.406	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-50.9	-35.2	176.6	65.8	0	0	0	0	113.9	D686 F690	D686-S688 VanDerWaalsContact OD1-CB 3.23Å; D686-S688 WeakPolarHBondContact OD1-CB 3.37Å; D686-S688 PolarHBondContact OD1-N 3.32Å; D686-S688 PolarHBondContact OD1-OG 3.02Å; D686-S688 WeakPolarHBondContact OD2-CB 3.47Å; D686-S688 PolarHBondContact OD2-OG 3.05Å; S688-F690 PolarHBondContact O-N 2.97Å
689	K	83.1	Confident	87.4	Confident	123 Å²	123	33.1 Å²	33.1	54%	0.535	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-60.8	-19.5	175.9	-65.8	-173.1	177.8	-177.2	0	114.3	A390 D391 L687 S691	A390-K689 PolarHBondContact O-NZ 3.31Å; D391-K689 IonicContact OD1-NZ 3.63Å; D391-K689 PolarHBondContact OD1-NZ 2.97Å; L687-K689 PolarHBondContact O-N 3.35Å; L687-K689 VanDerWaalsContact O-N 3.14Å; K689-S691 PolarHBondContact O-N 3.45Å
690	F	83.4	Confident	87	Confident	34 Å²	34	33 Å²	33	15%	0.149	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-100.1	36.8	-174.3	-60.4	-80.5	0	0	0	112.8	L663 L666 L687 S688 G692 V693 F695	L663-F690 HydrophobicContact CD1-CD1 3.95Å; L663-F690 HydrophobicContact CD1-CE1 3.92Å; L666-F690 HydrophobicContact CD2-CE1 3.93Å; L666-F690 HydrophobicContact CD2-CE2 4Å; L666-F690 HydrophobicContact CD2-CZ 3.59Å; L687-F690 HydrophobicContact CB-CD2 4.25Å; L687-F690 HydrophobicContact CD2-CD2 3.96Å; L687-F690 HydrophobicContact CD2-CE2 4.06Å; L687-F690 PolarHBondContact O-N 2.86Å; S688-F690 PolarHBondContact O-N 2.97Å; F690-G692 PolarHBondContact O-N 2.96Å; F690-V693 HydrophobicContact CB-CB 4.41Å; F690-V693 HydrophobicContact CB-CG2 4.06Å; F690-V693 WeakPolarHBondContact O-CB 3.39Å; F690-V693 WeakPolarHBondContact O-CG2 3.38Å; F690-V693 PolarHBondContact O-N 3Å; F690-F695 HydrophobicContact CB-CE1 4.32Å; F690-F695 HydrophobicContact CB-CZ 3.81Å
691	S	77.1	Confident	85.7	Confident	104 Å²	104	37.3 Å²	37.3	73%	0.727	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	127.8	176.8	59.3	0	0	0	0	112	K689	K689-S691 PolarHBondContact O-N 3.45Å
692	G	81.4	Confident	84.1	Confident	82 Å²	82	38 Å²	38	85%	0.845	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-8.6	-179.3	0	0	0	0	0	115.2	F690	F690-G692 PolarHBondContact O-N 2.96Å
693	V	87.9	Confident	82.2	Confident	39 Å²	39	42.5 Å²	42.5	24%	0.236	26%	0.259	C	S	.	.			trans	-73.1	138.8	172	177.5	0	0	0	0	110.3	D658 F690 F695	D658-V693 HydrophobicContact CB-CG1 3.83Å; F690-V693 HydrophobicContact CB-CB 4.41Å; F690-V693 HydrophobicContact CB-CG2 4.06Å; F690-V693 WeakPolarHBondContact O-CB 3.39Å; F690-V693 WeakPolarHBondContact O-CG2 3.38Å; F690-V693 PolarHBondContact O-N 3Å; V693-F695 HydrophobicContact CB-CE1 4.3Å; V693-F695 HydrophobicContact CB-CE2 4.05Å; V693-F695 HydrophobicContact CB-CZ 3.85Å; V693-F695 HydrophobicContact CG1-CD1 4.23Å; V693-F695 HydrophobicContact CG1-CE1 3.96Å; V693-F695 HydrophobicContact CG1-CE2 4.32Å; V693-F695 HydrophobicContact CG1-CZ 4.02Å; V693-F695 WeakPolarHBondContact O-CD2 3.4Å; V693-F695 VanDerWaalsContact O-CE2 3.26Å; V693-F695 WeakPolarHBondContact O-CE2 3.29Å
694	S	90.8	Very high	80.4	Confident	36 Å²	36	46.8 Å²	46.8	25%	0.252	29%	0.285	S	S	.	.			trans	-88.8	130.2	164.3	-167.4	0	0	0	0	109.4	Q659	Q659-S694 WeakPolarHBondContact CB-O 3.4Å; Q659-S694 PolarHBondContact N-O 2.72Å; Q659-S694 PolarHBondContact OE1-OG 2.84Å
695	F	92.8	Very high	79.6	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	156.1	-174.2	-61.2	-86.6	0	0	0	112.4	L614 L616 F632 V656 S657 L666 L687 F690 V693	L614-F695 HydrophobicContact CB-CB 4.34Å; L614-F695 PolarHBondContact N-O 2.76Å; L614-F695 PolarHBondContact O-N 2.82Å; L616-F695 HydrophobicContact CB-CE2 4.23Å; F632-F695 HydrophobicContact CD1-CD2 4.13Å; F632-F695 HydrophobicContact CE1-CB 4.26Å; F632-F695 AromaticContact CE1-CD2 3.7Å; F632-F695 HydrophobicContact CE1-CD2 3.7Å; F632-F695 HydrophobicContact CE1-CE2 4.15Å; F632-F695 AromaticContact CE1-CG 3.92Å; F632-F695 HydrophobicContact CE1-CG 3.92Å; V656-F695 HydrophobicContact CG1-CB 4.4Å; V656-F695 HydrophobicContact CG1-CD1 3.77Å; V656-F695 HydrophobicContact CG1-CE1 4.49Å; V656-F695 HydrophobicContact CG1-CG 4.39Å; S657-F695 WeakPolarHBondContact O-CA 3.42Å; L666-F695 HydrophobicContact CD1-CD1 4.48Å; L666-F695 HydrophobicContact CD1-CE1 3.98Å; L687-F695 HydrophobicContact CD1-CE1 4.3Å; F690-F695 HydrophobicContact CB-CE1 4.32Å; F690-F695 HydrophobicContact CB-CZ 3.81Å; V693-F695 HydrophobicContact CB-CE1 4.3Å; V693-F695 HydrophobicContact CB-CE2 4.05Å; V693-F695 HydrophobicContact CB-CZ 3.85Å; V693-F695 HydrophobicContact CG1-CD1 4.23Å; V693-F695 HydrophobicContact CG1-CE1 3.96Å; V693-F695 HydrophobicContact CG1-CE2 4.32Å; V693-F695 HydrophobicContact CG1-CZ 4.02Å; V693-F695 WeakPolarHBondContact O-CD2 3.4Å; V693-F695 VanDerWaalsContact O-CE2 3.26Å; V693-F695 WeakPolarHBondContact O-CE2 3.29Å
696	R	91.3	Very high	79.6	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.038	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141	161.3	65.1	-176.1	-71.3	170.9	0.7	110.5	V596 Q599 V601 S604 V611 S657 D658 D698	V596-R696 PolarHBondContact O-NH1 2.85Å; Q599-R696 PolarHBondContact O-NH1 3.04Å; V601-R696 HydrophobicContact CG2-CB 4.02Å; S604-R696 PolarHBondContact OG-NH2 2.98Å; V611-R696 WeakPolarHBondContact O-CA 3.17Å; S657-R696 PolarHBondContact N-O 2.93Å; S657-R696 PolarHBondContact O-N 2.8Å; D658-R696 WeakPolarHBondContact O-CG 3.49Å; R696-D698 IonicContact CZ-OD1 2.91Å; R696-D698 IonicContact CZ-OD2 3.86Å; R696-D698 IonicContact NE-OD1 3.61Å; R696-D698 IonicContact NE-OD2 3.07Å; R696-D698 PolarHBondContact NE-OD2 3.49Å; R696-D698 IonicContact NH2-OD1 2.66Å; R696-D698 PolarHBondContact NH2-OD1 3.42Å; R696-D698 IonicContact NH2-OD2 3.82Å; R696-D698 PolarHBondContact NH2-OD2 2.84Å
697	L	91.3	Very high	79.5	Confident	0 Å²	0	44 Å²	44	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.7	175.2	-94.5	59.9	0	0	0	108.1	C610 V611 L614 F632 I654 V656 L671 V679	C610-L697 CarbonylContact C-O 3.55Å; C610-L697 VanDerWaalsContact CA-O 3.3Å; C610-L697 WeakPolarHBondContact CA-O 3.35Å; V611-L697 PolarHBondContact N-O 3.11Å; V611-L697 PolarHBondContact O-N 3.32Å; L614-L697 HydrophobicContact CD1-CB 4.05Å; L614-L697 HydrophobicContact CD1-CD1 3.81Å; L614-L697 HydrophobicContact CD1-CD2 4.03Å; L614-L697 HydrophobicContact CD1-CG 4.16Å; F632-L697 HydrophobicContact CD2-CD2 4.44Å; F632-L697 HydrophobicContact CE2-CD1 4.42Å; I654-L697 HydrophobicContact CD1-CD2 3.84Å; I654-L697 HydrophobicContact CD1-CG 3.94Å; V656-L697 HydrophobicContact CB-CD1 4.32Å; V656-L697 HydrophobicContact CG1-CD1 3.96Å; V656-L697 HydrophobicContact CG2-CD1 3.77Å; V656-L697 HydrophobicContact CG2-CG 4.08Å; L671-L697 HydrophobicContact CD2-CD2 4.31Å; V679-L697 HydrophobicContact CB-CD2 4.44Å; V679-L697 HydrophobicContact CG1-CD2 3.71Å
698	D	88.9	Confident	79.5	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.4	180	-68.9	-99.7	0	0	0	111	V596 S609 C610 I654 V655 R696 D700	V596-D698 HydrophobicContact CG2-CB 3.78Å; S609-D698 WeakPolarHBondContact O-CA 3.39Å; C610-D698 WeakPolarHBondContact CB-OD1 3.23Å; I654-D698 VanDerWaalsContact CA-O 3.25Å; I654-D698 WeakPolarHBondContact CA-O 3.44Å; V655-D698 HydrophobicContact CG1-CB 3.98Å; V655-D698 PolarHBondContact N-O 2.55Å; V655-D698 PolarHBondContact O-N 3.34Å; V655-D698 VanDerWaalsContact O-N 3.09Å; R696-D698 IonicContact CZ-OD1 2.91Å; R696-D698 IonicContact CZ-OD2 3.86Å; R696-D698 IonicContact NE-OD1 3.61Å; R696-D698 IonicContact NE-OD2 3.07Å; R696-D698 PolarHBondContact NE-OD2 3.49Å; R696-D698 IonicContact NH2-OD1 2.66Å; R696-D698 PolarHBondContact NH2-OD1 3.42Å; R696-D698 IonicContact NH2-OD2 3.82Å; R696-D698 PolarHBondContact NH2-OD2 2.84Å; D698-D700 PolarHBondContact O-N 3.44Å; D698-D700 VanDerWaalsContact O-N 3.16Å
699	S	85.4	Confident	79.8	Confident	28 Å²	28	43 Å²	43	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	114.4	171	61.9	0	0	0	0	110.4	S609	S609-S699 PolarHBondContact O-N 2.8Å; S609-S699 PolarHBondContact O-OG 2.82Å
700	D	79.4	Confident	80.3	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	25%	0.248	C	C	.	.			trans	-97	98.7	166	178.9	28.1	0	0	0	108.1	R593 R653 V655 D698 G702	R593-D700 IonicContact CZ-OD1 2.76Å; R593-D700 IonicContact CZ-OD2 2.74Å; R593-D700 IonicContact NE-OD1 2.75Å; R593-D700 PolarHBondContact NE-OD1 3.37Å; R593-D700 IonicContact NH2-OD1 3.66Å; R593-D700 PolarHBondContact NH2-OD1 3.2Å; R593-D700 IonicContact NH2-OD2 3.63Å; R593-D700 PolarHBondContact NH2-OD2 2.98Å; R653-D700 VanDerWaalsContact CB-O 3.26Å; R653-D700 WeakPolarHBondContact CB-O 3.32Å; R653-D700 VanDerWaalsContact CD-O 3.28Å; R653-D700 WeakPolarHBondContact CD-O 3.29Å; R653-D700 HydrophobicContact CG-CB 4.2Å; R653-D700 VanDerWaalsContact CG-O 3.28Å; R653-D700 WeakPolarHBondContact CG-O 3.43Å; R653-D700 IonicContact CZ-OD2 2.83Å; R653-D700 VanDerWaalsContact CZ-OD2 3.31Å; R653-D700 IonicContact NE-OD2 3.37Å; R653-D700 PolarHBondContact NE-OD2 3.06Å; R653-D700 IonicContact NH2-OD2 2.79Å; R653-D700 PolarHBondContact NH2-OD2 3.29Å; R653-D700 PolarHBondContact O-N 2.84Å; V655-D700 HydrophobicContact CB-CB 4.34Å; V655-D700 HydrophobicContact CG1-CB 4.38Å; D698-D700 PolarHBondContact O-N 3.44Å; D698-D700 VanDerWaalsContact O-N 3.16Å; D700-G702 PolarHBondContact O-N 3.14Å; D700-G702 VanDerWaalsContact OD1-CA 3.27Å; D700-G702 WeakPolarHBondContact OD1-CA 3.4Å; D700-G702 PolarHBondContact OD1-N 2.94Å
701	E	64.9	Low	80.6	Confident	117 Å²	117	36.9 Å²	36.9	55%	0.547	25%	0.247	S	C	.	.			trans	-53.5	-19.7	169.8	-65.6	175.4	-169.2	0	0	111.7	V704	E701-V704 VanDerWaalsContact O-CG2 3.26Å; E701-V704 WeakPolarHBondContact O-CG2 3.33Å
702	G	57.3	Low	81.4	Confident	13 Å²	13	32.4 Å²	32.4	13%	0.134	22%	0.215	C	C	.	.			trans	91.2	167.2	175.8	0	0	0	0	0	111.8	D700 V704	D700-G702 PolarHBondContact O-N 3.14Å; D700-G702 VanDerWaalsContact OD1-CA 3.27Å; D700-G702 WeakPolarHBondContact OD1-CA 3.4Å; D700-G702 PolarHBondContact OD1-N 2.94Å; G702-V704 PolarHBondContact O-N 2.98Å
703	V	50.2	Low	82.1	Confident	105 Å²	105	28.5 Å²	28.5	64%	0.636	17%	0.174	S	C	*	.			trans	-76	81.9	159.4	-172.3	0	0	0	0	107	G705	V703-G705 PolarHBondContact O-N 3.16Å
704	V	52.4	Low	82.4	Confident	93 Å²	93	27.2 Å²	27.2	56%	0.564	17%	0.168	S	C	*	.			trans	-75	56.9	167.3	-167.7	0	0	0	0	108.4	M587 E701 G702	M587-V704 HydrophobicContact CE-CB 3.64Å; M587-V704 HydrophobicContact CE-CG1 3.71Å; M587-V704 WeakPolarHBondContact CE-O 3.3Å; E701-V704 VanDerWaalsContact O-CG2 3.26Å; E701-V704 WeakPolarHBondContact O-CG2 3.33Å; G702-V704 PolarHBondContact O-N 2.98Å
705	G	66.9	Low	82.6	Confident	34 Å²	34	27.8 Å²	27.8	35%	0.351	16%	0.164	S	C	.	.			trans	-72.6	136.8	-176.5	0	0	0	0	0	110.7	V703 S707	V703-G705 PolarHBondContact O-N 3.16Å; G705-S707 PolarHBondContact O-N 2.74Å
706	L	85.2	Confident	82.8	Confident	17 Å²	17	27.7 Å²	27.7	9%	0.089	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	9.4	179.1	-57.6	175.1	0	0	0	113.2	C580 E583 A584 M587 T708 H709 L710 M939	C580-L706 HydrophobicContact CB-CB 4.45Å; C580-L706 HydrophobicContact CB-CD1 4.14Å; C580-L706 WeakPolarHBondContact O-CD1 3.46Å; E583-L706 HydrophobicContact CB-CD1 3.8Å; E583-L706 HydrophobicContact CG-CD1 3.9Å; A584-L706 HydrophobicContact CB-CD1 4.18Å; M587-L706 HydrophobicContact SD-CD1 4.48Å; M587-L706 HydrophobicContact SD-CD2 4.28Å; M587-L706 HydrophobicContact SD-CG 4.36Å; L706-T708 PolarHBondContact O-N 2.69Å; L706-H709 HydrophobicContact CB-CB 4.43Å; L706-H709 WeakPolarHBondContact CD2-CE1 3.14Å; L706-H709 WeakPolarHBondContact CD2-ND1 3.47Å; L706-H709 WeakPolarHBondContact O-CA 3.36Å; L706-H709 VanDerWaalsContact O-CB 3.23Å; L706-H709 WeakPolarHBondContact O-CB 3.3Å; L706-H709 PolarHBondContact O-N 2.82Å; L706-L710 PolarHBondContact O-N 2.84Å; L706-M939 HydrophobicContact CD1-CE 4.39Å
707	S	85.1	Confident	83.1	Confident	24 Å²	24	27.2 Å²	27.2	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-50.8	-29.8	176.3	61	0	0	0	0	114.7	G705 S711	G705-S707 PolarHBondContact O-N 2.74Å; S707-S711 VanDerWaalsContact O-CB 3.28Å; S707-S711 WeakPolarHBondContact O-CB 3.4Å; S707-S711 PolarHBondContact O-N 3.07Å; S707-S711 PolarHBondContact O-OG 2.82Å
708	T	88.4	Confident	83.3	Confident	10 Å²	10	30.4 Å²	30.4	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-78.8	-28.8	175	-54.2	0	0	0	0	112.3	L706 N712 M878 K881 I905	L706-T708 PolarHBondContact O-N 2.69Å; T708-N712 WeakPolarHBondContact O-CB 3.26Å; T708-N712 PolarHBondContact O-N 3.16Å; T708-N712 PolarHBondContact O-ND2 3.27Å; T708-N712 PolarHBondContact O-OD1 2.81Å; T708-M878 HydrophobicContact CG2-CE 3.94Å; T708-M878 HydrophobicContact CG2-SD 4.08Å; T708-K881 WeakPolarHBondContact OG1-CE 3.33Å; T708-K881 PolarHBondContact OG1-NZ 3.48Å; T708-I905 HydrophobicContact CG2-CD1 3.98Å
709	H	92.4	Very high	83.6	Confident	25 Å²	25	35.1 Å²	35.1	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-51.5	167.1	-58.9	71	0	0	0	109.2	L706 S711 N712 L713 P904 I905	L706-H709 HydrophobicContact CB-CB 4.43Å; L706-H709 WeakPolarHBondContact CD2-CE1 3.14Å; L706-H709 WeakPolarHBondContact CD2-ND1 3.47Å; L706-H709 WeakPolarHBondContact O-CA 3.36Å; L706-H709 VanDerWaalsContact O-CB 3.23Å; L706-H709 WeakPolarHBondContact O-CB 3.3Å; L706-H709 PolarHBondContact O-N 2.82Å; H709-S711 PolarHBondContact O-N 2.86Å; H709-N712 PolarHBondContact O-N 2.93Å; H709-L713 WeakPolarHBondContact O-CG 3.3Å; H709-L713 PolarHBondContact O-N 2.83Å; H709-P904 HydrophobicContact CB-CB 3.62Å; H709-P904 HydrophobicContact CB-CG 4.13Å; H709-I905 HydrophobicContact CB-CD1 4.46Å; H709-I905 WeakPolarHBondContact NE2-CG1 3.33Å
710	L	93	Very high	84	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-38.4	179.4	-63.4	-177.4	0	0	0	113.1	M282 F283 L577 C580 L706 L713 S714	M282-L710 HydrophobicContact CB-CD1 4.22Å; F283-L710 HydrophobicContact CD1-CB 3.77Å; F283-L710 HydrophobicContact CE1-CB 3.86Å; F283-L710 HydrophobicContact CE1-CD2 4.45Å; L577-L710 HydrophobicContact CD1-CD2 3.66Å; C580-L710 HydrophobicContact CB-CD2 3.74Å; C580-L710 HydrophobicContact CB-CG 4.4Å; L706-L710 PolarHBondContact O-N 2.84Å; L710-L713 HydrophobicContact CD2-CD1 4.3Å; L710-L713 PolarHBondContact O-N 3.39Å; L710-S714 WeakPolarHBondContact O-CB 3.28Å; L710-S714 PolarHBondContact O-N 2.86Å
711	S	91.2	Very high	84.8	Confident	17 Å²	17	37.9 Å²	37.9	12%	0.119	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-41.2	174.8	-60.1	0	0	0	0	112.1	K284 S707 H709 S714 R715	K284-S711 PolarHBondContact O-OG 3.09Å; S707-S711 VanDerWaalsContact O-CB 3.28Å; S707-S711 WeakPolarHBondContact O-CB 3.4Å; S707-S711 PolarHBondContact O-N 3.07Å; S707-S711 PolarHBondContact O-OG 2.82Å; H709-S711 PolarHBondContact O-N 2.86Å; S711-S714 PolarHBondContact O-N 2.89Å; S711-R715 WeakPolarHBondContact O-CB 3.29Å; S711-R715 PolarHBondContact O-N 2.99Å
712	N	94.3	Very high	86.2	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-31.9	178.4	-67.2	-7.1	0	0	0	111.8	T708 H709 L716 I880 P904 G908 F911	T708-N712 WeakPolarHBondContact O-CB 3.26Å; T708-N712 PolarHBondContact O-N 3.16Å; T708-N712 PolarHBondContact O-ND2 3.27Å; T708-N712 PolarHBondContact O-OD1 2.81Å; H709-N712 PolarHBondContact O-N 2.93Å; N712-L716 PolarHBondContact O-N 3.39Å; N712-I880 WeakPolarHBondContact OD1-CD1 3.34Å; N712-P904 WeakPolarHBondContact CB-O 3.24Å; N712-P904 PolarHBondContact ND2-O 2.91Å; N712-G908 VanDerWaalsContact ND2-CA 3.29Å; N712-G908 WeakPolarHBondContact ND2-CA 3.3Å; N712-F911 HydrophobicContact CB-CE2 4.41Å; N712-F911 WeakPolarHBondContact O-CZ 3.43Å
713	L	95.4	Very high	88.1	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-45.6	172.2	-70.6	162.1	0	0	0	112	Y572 F573 W576 H709 L710 R715 L716 M717 P904	Y572-L713 HydrophobicContact CE1-CD2 3.82Å; F573-L713 HydrophobicContact CD2-CB 4.17Å; F573-L713 HydrophobicContact CE2-CB 4.18Å; W576-L713 HydrophobicContact CB-CD1 3.68Å; W576-L713 HydrophobicContact CB-CD2 3.66Å; W576-L713 HydrophobicContact CB-CG 4.34Å; W576-L713 HydrophobicContact CG-CD2 4.04Å; H709-L713 WeakPolarHBondContact O-CG 3.3Å; H709-L713 PolarHBondContact O-N 2.83Å; L710-L713 HydrophobicContact CD2-CD1 4.3Å; L710-L713 PolarHBondContact O-N 3.39Å; L713-R715 VanDerWaalsContact C-N 3.3Å; L713-R715 PolarHBondContact O-N 3.42Å; L713-L716 WeakPolarHBondContact O-CB 3.18Å; L713-L716 PolarHBondContact O-N 3.47Å; L713-M717 WeakPolarHBondContact O-CG 3.3Å; L713-M717 PolarHBondContact O-N 3.47Å; L713-P904 HydrophobicContact CD1-CB 4.23Å; L713-P904 HydrophobicContact CD1-CG 3.95Å; L713-P904 HydrophobicContact CD2-CB 4.48Å; L713-P904 HydrophobicContact CD2-CG 4.19Å; L713-P904 HydrophobicContact CG-CB 4.06Å; L713-P904 HydrophobicContact CG-CG 4.09Å
714	S	94.9	Very high	90.4	Very high	13 Å²	13	33.9 Å²	33.9	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-53	-49.5	170.6	169	0	0	0	0	110.6	N534 L710 S711 L716 M717 E718	N534-S714 VanDerWaalsContact OD1-CB 3.29Å; N534-S714 WeakPolarHBondContact OD1-CB 3.26Å; N534-S714 PolarHBondContact OD1-OG 3.21Å; L710-S714 WeakPolarHBondContact O-CB 3.28Å; L710-S714 PolarHBondContact O-N 2.86Å; S711-S714 PolarHBondContact O-N 2.89Å; S714-L716 VanDerWaalsContact C-N 3.35Å; S714-L716 PolarHBondContact O-N 3.12Å; S714-M717 WeakPolarHBondContact O-CB 3.43Å; S714-M717 PolarHBondContact O-N 3.07Å; S714-E718 PolarHBondContact O-N 2.86Å
715	R	94.6	Very high	92.5	Very high	47 Å²	47	31.5 Å²	31.5	18%	0.177	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-33.1	179.7	-177.3	162.3	179.9	-167.3	-7.5	113.9	S711 L713 M717 E718 S723 F911 Y912	S711-R715 WeakPolarHBondContact O-CB 3.29Å; S711-R715 PolarHBondContact O-N 2.99Å; L713-R715 VanDerWaalsContact C-N 3.3Å; L713-R715 PolarHBondContact O-N 3.42Å; R715-M717 PolarHBondContact O-N 2.89Å; R715-E718 WeakPolarHBondContact CA-OE1 3.41Å; R715-E718 WeakPolarHBondContact CG-OE1 3.26Å; R715-E718 WeakPolarHBondContact O-CB 3.27Å; R715-E718 PolarHBondContact O-N 2.73Å; R715-E718 VanDerWaalsContact O-N 3.16Å; R715-S723 WeakPolarHBondContact O-CB 3.28Å; R715-S723 PolarHBondContact O-OG 3.12Å; R715-F911 HydrophobicContact CB-CE1 4.39Å; R715-F911 HydrophobicContact CB-CE2 4.34Å; R715-F911 HydrophobicContact CB-CZ 4.07Å; R715-F911 HydrophobicContact CG-CD1 3.94Å; R715-F911 HydrophobicContact CG-CD2 4.37Å; R715-F911 HydrophobicContact CG-CE1 3.76Å; R715-F911 HydrophobicContact CG-CE2 4.2Å; R715-F911 HydrophobicContact CG-CG 4.26Å; R715-F911 HydrophobicContact CG-CZ 3.89Å; R715-Y912 PolarHBondContact NH1-OH 2.8Å
716	L	97.3	Very high	94	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-28.3	172.7	-171.9	64.5	0	0	0	111.6	Y572 N712 L713 S714 L726 R727 V731 L907 F911	Y572-L716 HydrophobicContact CD1-CD2 4.15Å; Y572-L716 HydrophobicContact CE1-CD2 3.6Å; N712-L716 PolarHBondContact O-N 3.39Å; L713-L716 WeakPolarHBondContact O-CB 3.18Å; L713-L716 PolarHBondContact O-N 3.47Å; S714-L716 VanDerWaalsContact C-N 3.35Å; S714-L716 PolarHBondContact O-N 3.12Å; L716-L726 HydrophobicContact CD1-CB 3.65Å; L716-R727 HydrophobicContact CD1-CG 3.92Å; L716-R727 HydrophobicContact CG-CG 3.87Å; L716-R727 VanDerWaalsContact O-CD 3.23Å; L716-R727 WeakPolarHBondContact O-CD 3.18Å; L716-R727 VanDerWaalsContact O-CG 3.28Å; L716-R727 WeakPolarHBondContact O-CG 3.25Å; L716-R727 PolarHBondContact O-NH1 3.14Å; L716-V731 HydrophobicContact CD2-CG2 4.01Å; L716-L907 HydrophobicContact CD1-CD2 4.46Å; L716-L907 HydrophobicContact CD2-CD1 3.9Å; L716-F911 HydrophobicContact CB-CZ 3.98Å; L716-F911 HydrophobicContact CD1-CE1 4.33Å; L716-F911 HydrophobicContact CD1-CZ 4.25Å
717	M	97.1	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.7	179.1	-59	-58	135.7	0	0	114.2	L537 H564 L565 H569 Y572 F573 L713 S714 R715	L537-M717 HydrophobicContact CD1-CB 3.66Å; L537-M717 HydrophobicContact CD1-CG 4.11Å; L537-M717 HydrophobicContact CD2-CB 3.91Å; L537-M717 HydrophobicContact CD2-CG 4.12Å; L537-M717 HydrophobicContact CG-CB 4.44Å; H564-M717 PolarHBondContact NE2-O 2.93Å; L565-M717 HydrophobicContact CD1-CB 4.01Å; L565-M717 HydrophobicContact CD1-SD 4.23Å; L565-M717 HydrophobicContact CD2-CB 4.4Å; L565-M717 HydrophobicContact CD2-SD 3.97Å; H569-M717 HydrophobicContact CB-CE 4.49Å; H569-M717 HydrophobicContact CB-SD 4Å; Y572-M717 HydrophobicContact CD1-CE 4.19Å; F573-M717 HydrophobicContact CB-CE 4.09Å; F573-M717 HydrophobicContact CB-CG 4.22Å; F573-M717 HydrophobicContact CB-SD 4.22Å; F573-M717 HydrophobicContact CD2-CG 3.71Å; F573-M717 HydrophobicContact CE2-CG 4.4Å; F573-M717 HydrophobicContact CG-CG 4.14Å; L713-M717 WeakPolarHBondContact O-CG 3.3Å; L713-M717 PolarHBondContact O-N 3.47Å; S714-M717 WeakPolarHBondContact O-CB 3.43Å; S714-M717 PolarHBondContact O-N 3.07Å; R715-M717 PolarHBondContact O-N 2.89Å
718	E	95.3	Very high	95.3	Very high	67 Å²	67	31.3 Å²	31.3	31%	0.313	18%	0.178	S	C	.	.	S	Bend	trans	-65.3	150.2	174.4	-74.4	168	-158.5	0	0	112.6	L533 S714 R715 S720 S723 R727	L533-E718 HydrophobicContact CD2-CG 3.74Å; S714-E718 PolarHBondContact O-N 2.86Å; R715-E718 WeakPolarHBondContact CA-OE1 3.41Å; R715-E718 WeakPolarHBondContact CG-OE1 3.26Å; R715-E718 WeakPolarHBondContact O-CB 3.27Å; R715-E718 PolarHBondContact O-N 2.73Å; R715-E718 VanDerWaalsContact O-N 3.16Å; E718-S720 PolarHBondContact O-N 3.26Å; E718-S723 WeakPolarHBondContact O-CB 3.48Å; E718-R727 PolarHBondContact O-NH1 3.09Å
719	S	94.9	Very high	95.8	Very high	103 Å²	103	30.9 Å²	30.9	72%	0.72	18%	0.175	S	C	*	.	S	Bend	trans	-77.4	46.3	172.1	44.5	0	0	0	0	112.7	H564	H564-S719 PolarHBondContact NE2-N 3.35Å
720	S	94.8	Very high	96	Very high	35 Å²	35	29.7 Å²	29.7	25%	0.245	17%	0.17	C	C	.	.	S	Bend	trans	-111.7	147.3	176.2	94.6	0	0	0	0	111.4	E718 D722 S723 E724	E718-S720 PolarHBondContact O-N 3.26Å; S720-D722 VanDerWaalsContact C-N 3.3Å; S720-D722 PolarHBondContact O-N 3.39Å; S720-S723 CarbonylContact O-C 3.59Å; S720-S723 PolarHBondContact O-N 3.11Å; S720-S723 VanDerWaalsContact O-N 3.09Å; S720-S723 WeakPolarHBondContact OG-CB 3.34Å; S720-S723 PolarHBondContact OG-N 3.29Å; S720-S723 VanDerWaalsContact OG-N 3.09Å; S720-S723 PolarHBondContact OG-OG 3.43Å; S720-E724 WeakPolarHBondContact O-CB 3.36Å; S720-E724 PolarHBondContact O-N 3.28Å
721	G	95.7	Very high	96.2	Very high	53 Å²	53	29.7 Å²	29.7	55%	0.546	17%	0.17	S	C	.	.	H	α-helix	trans	-66	-28	176.6	0	0	0	0	0	114.1	S723 R725	G721-S723 VanDerWaalsContact C-N 3.32Å; G721-R725 WeakPolarHBondContact O-CB 3.16Å; G721-R725 PolarHBondContact O-N 2.93Å
722	D	94.4	Very high	96.6	Very high	48 Å²	48	32.1 Å²	32.1	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-62.2	-42.8	170.4	-84.3	-26.7	0	0	0	109.9	S720 R725 L726 R889	S720-D722 VanDerWaalsContact C-N 3.3Å; S720-D722 PolarHBondContact O-N 3.39Å; D722-R725 PolarHBondContact O-NH1 3.47Å; D722-L726 WeakPolarHBondContact O-CD1 3.4Å; D722-L726 WeakPolarHBondContact O-CG 3.28Å; D722-R889 IonicContact OD2-CZ 2.66Å; D722-R889 IonicContact OD2-NE 2.27Å; D722-R889 PolarHBondContact OD2-NE 2.92Å; D722-R889 IonicContact OD2-NH2 1.9Å; D722-R889 PolarHBondContact OD2-NH2 2.9Å
723	S	97.2	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-76.8	-40.3	-179.8	-56.6	0	0	0	0	113.1	R715 E718 S720 G721 L726 R727	R715-S723 WeakPolarHBondContact O-CB 3.28Å; R715-S723 PolarHBondContact O-OG 3.12Å; E718-S723 WeakPolarHBondContact O-CB 3.48Å; S720-S723 CarbonylContact O-C 3.59Å; S720-S723 PolarHBondContact O-N 3.11Å; S720-S723 VanDerWaalsContact O-N 3.09Å; S720-S723 WeakPolarHBondContact OG-CB 3.34Å; S720-S723 PolarHBondContact OG-N 3.29Å; S720-S723 VanDerWaalsContact OG-N 3.09Å; S720-S723 PolarHBondContact OG-OG 3.43Å; G721-S723 VanDerWaalsContact C-N 3.32Å; S723-L726 CarbonylContact O-C 3.57Å; S723-L726 PolarHBondContact O-N 3.39Å; S723-L726 VanDerWaalsContact O-N 3.15Å; S723-R727 WeakPolarHBondContact O-CG 3.41Å; S723-R727 PolarHBondContact O-N 3Å
724	E	97.9	Very high	96.8	Very high	103 Å²	103	37.2 Å²	37.2	48%	0.481	20%	0.204	S	C	.	.	H	α-helix	trans	-58.7	-52.3	177.5	-177.6	170	-135.2	0	0	111.6	S720 L726 R727 E728	S720-E724 WeakPolarHBondContact O-CB 3.36Å; S720-E724 PolarHBondContact O-N 3.28Å; E724-L726 PolarHBondContact O-N 2.93Å; E724-R727 WeakPolarHBondContact O-CB 3.48Å; E724-R727 PolarHBondContact O-N 2.82Å; E724-E728 PolarHBondContact O-N 3.12Å
725	R	97.6	Very high	96.9	Very high	43 Å²	43	40.5 Å²	40.5	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-55.7	-35.5	173.5	-175.3	-175.8	110.4	-83.9	5.9	112.8	G721 D722 L729 A913 K914	G721-R725 WeakPolarHBondContact O-CB 3.16Å; G721-R725 PolarHBondContact O-N 2.93Å; D722-R725 PolarHBondContact O-NH1 3.47Å; R725-L729 HydrophobicContact CG-CD1 4.06Å; R725-L729 WeakPolarHBondContact O-CB 3.35Å; R725-L729 WeakPolarHBondContact O-CD1 3.23Å; R725-L729 VanDerWaalsContact O-CG 3.26Å; R725-L729 WeakPolarHBondContact O-CG 3.46Å; R725-L729 PolarHBondContact O-N 2.67Å; R725-L729 VanDerWaalsContact O-N 3.16Å; R725-A913 PolarHBondContact NH2-O 2.58Å; R725-K914 PolarHBondContact NE-O 3.03Å; R725-K914 PolarHBondContact NH2-O 3.26Å
726	L	98.3	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-77.2	-29.5	177.4	-71.8	170.8	0	0	0	112.5	L716 D722 S723 E724 V730 L910 F911 F916	L716-L726 HydrophobicContact CD1-CB 3.65Å; D722-L726 WeakPolarHBondContact O-CD1 3.4Å; D722-L726 WeakPolarHBondContact O-CG 3.28Å; S723-L726 CarbonylContact O-C 3.57Å; S723-L726 PolarHBondContact O-N 3.39Å; S723-L726 VanDerWaalsContact O-N 3.15Å; E724-L726 PolarHBondContact O-N 2.93Å; L726-V730 VanDerWaalsContact O-CB 3.26Å; L726-V730 WeakPolarHBondContact O-CB 3.32Å; L726-V730 WeakPolarHBondContact O-CG2 3.19Å; L726-V730 PolarHBondContact O-N 3.48Å; L726-L910 HydrophobicContact CD1-CB 4.19Å; L726-L910 HydrophobicContact CD2-CB 3.97Å; L726-L910 HydrophobicContact CD2-CD1 4.43Å; L726-F911 HydrophobicContact CD1-CD1 3.48Å; L726-F911 VanDerWaalsContact CD1-CD1 3.48Å; L726-F911 HydrophobicContact CD1-CE1 3.71Å; L726-F911 HydrophobicContact CD1-CG 3.96Å; L726-F911 HydrophobicContact CD1-CZ 4.38Å; L726-F916 HydrophobicContact CD2-CE1 4.16Å
727	R	98.4	Very high	96.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-47.1	169.4	-69.8	-169.2	-57	-86.2	1.7	111	H569 L716 E718 S723 E724 L729 V730 V731 D732	H569-R727 WeakPolarHBondContact ND1-CD 3.5Å; H569-R727 PolarHBondContact ND1-NE 3.39Å; L716-R727 HydrophobicContact CD1-CG 3.92Å; L716-R727 HydrophobicContact CG-CG 3.87Å; L716-R727 VanDerWaalsContact O-CD 3.23Å; L716-R727 WeakPolarHBondContact O-CD 3.18Å; L716-R727 VanDerWaalsContact O-CG 3.28Å; L716-R727 WeakPolarHBondContact O-CG 3.25Å; L716-R727 PolarHBondContact O-NH1 3.14Å; E718-R727 PolarHBondContact O-NH1 3.09Å; S723-R727 WeakPolarHBondContact O-CG 3.41Å; S723-R727 PolarHBondContact O-N 3Å; E724-R727 WeakPolarHBondContact O-CB 3.48Å; E724-R727 PolarHBondContact O-N 2.82Å; R727-L729 PolarHBondContact O-N 3.3Å; R727-V730 PolarHBondContact O-N 2.95Å; R727-V731 WeakPolarHBondContact O-CA 3.41Å; R727-V731 VanDerWaalsContact O-CB 3.31Å; R727-V731 WeakPolarHBondContact O-CB 3.35Å; R727-V731 PolarHBondContact O-N 2.99Å; R727-D732 PolarHBondContact O-N 3.28Å
728	E	98.3	Very high	96.7	Very high	70 Å²	70	45.6 Å²	45.6	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-53.2	-52.2	174.7	-68.2	179.3	167.8	0	0	111.8	E724 D732 L733 R734	E724-E728 PolarHBondContact O-N 3.12Å; E728-D732 CarbonylContact O-C 3.55Å; E728-L733 PolarHBondContact O-N 2.83Å; E728-R734 HydrophobicContact CB-CB 4.17Å; E728-R734 WeakPolarHBondContact O-CB 3.4Å; E728-R734 PolarHBondContact O-N 2.82Å; E728-R734 IonicContact OE2-CZ 2.67Å; E728-R734 IonicContact OE2-NE 3.83Å; E728-R734 PolarHBondContact OE2-NE 3.01Å; E728-R734 IonicContact OE2-NH2 2.71Å; E728-R734 PolarHBondContact OE2-NH2 3.48Å; E728-R734 VanDerWaalsContact OE2-NH2 3.08Å
729	L	98.1	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-75.3	-30.1	-172.8	-68	170.3	0	0	0	113.8	R725 R727 R734 D777 F778 F916 L947	R725-L729 HydrophobicContact CG-CD1 4.06Å; R725-L729 WeakPolarHBondContact O-CB 3.35Å; R725-L729 WeakPolarHBondContact O-CD1 3.23Å; R725-L729 VanDerWaalsContact O-CG 3.26Å; R725-L729 WeakPolarHBondContact O-CG 3.46Å; R725-L729 PolarHBondContact O-N 2.67Å; R725-L729 VanDerWaalsContact O-N 3.16Å; R727-L729 PolarHBondContact O-N 3.3Å; L729-R734 HydrophobicContact CD2-CB 4.49Å; L729-D777 HydrophobicContact CD1-CB 3.96Å; L729-D777 HydrophobicContact CD2-CB 3.85Å; L729-F778 HydrophobicContact CD2-CD1 4.21Å; L729-F778 HydrophobicContact CD2-CE1 4.08Å; L729-F916 HydrophobicContact CD1-CE1 4.24Å; L729-L947 VanDerWaalsContact O-CD2 3.22Å; L729-L947 WeakPolarHBondContact O-CD2 3.35Å
730	V	97.6	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-110.3	-35.1	-171	-178.5	0	0	0	0	113.3	L726 R727 L733 L907 L943 R946	L726-V730 VanDerWaalsContact O-CB 3.26Å; L726-V730 WeakPolarHBondContact O-CB 3.32Å; L726-V730 WeakPolarHBondContact O-CG2 3.19Å; L726-V730 PolarHBondContact O-N 3.48Å; R727-V730 PolarHBondContact O-N 2.95Å; V730-L733 WeakPolarHBondContact O-CD2 3.4Å; V730-L907 HydrophobicContact CB-CD2 4.47Å; V730-L907 HydrophobicContact CG1-CD2 4.32Å; V730-L907 HydrophobicContact CG2-CD2 4.03Å; V730-L943 HydrophobicContact CB-CD1 4.33Å; V730-L943 HydrophobicContact CG1-CD1 3.43Å; V730-L943 VanDerWaalsContact CG1-CD1 3.43Å; V730-L943 HydrophobicContact CG2-CD1 3.95Å; V730-R946 PolarHBondContact O-NE 3.24Å; V730-R946 PolarHBondContact O-NH2 3.41Å
731	V	97.8	Very high	95.1	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.079	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-52.9	-179.2	-174.2	0	0	0	0	110.6	P568 Y572 L716 R727 L733	P568-V731 HydrophobicContact CB-CG1 4.21Å; Y572-V731 HydrophobicContact CD1-CG2 3.79Å; Y572-V731 HydrophobicContact CD2-CG1 4.25Å; Y572-V731 HydrophobicContact CD2-CG2 3.97Å; Y572-V731 HydrophobicContact CE1-CG2 4.13Å; Y572-V731 HydrophobicContact CE2-CG2 4.27Å; Y572-V731 HydrophobicContact CG-CB 4.44Å; Y572-V731 HydrophobicContact CG-CG1 3.99Å; Y572-V731 HydrophobicContact CG-CG2 3.72Å; L716-V731 HydrophobicContact CD2-CG2 4.01Å; R727-V731 WeakPolarHBondContact O-CA 3.41Å; R727-V731 VanDerWaalsContact O-CB 3.31Å; R727-V731 WeakPolarHBondContact O-CB 3.35Å; R727-V731 PolarHBondContact O-N 2.99Å; V731-L733 VanDerWaalsContact C-N 3.33Å
732	D	97.9	Very high	94.1	Very high	69 Å²	69	49.5 Å²	49.5	37%	0.369	25%	0.254	S	S	.	.	S	Bend	trans	-85.2	-9.7	-178	-47	-52.8	0	0	0	112.9	H569 R727 E728 R734	H569-D732 IonicContact CD2-OD1 2.67Å; H569-D732 PolarHBondContact CD2-OD1 2.9Å; H569-D732 IonicContact CD2-OD2 3.13Å; H569-D732 IonicContact CE1-OD2 2.69Å; H569-D732 VanDerWaalsContact NE2-CG 3.3Å; H569-D732 IonicContact NE2-OD1 2.77Å; H569-D732 PolarHBondContact NE2-OD1 3.22Å; H569-D732 VanDerWaalsContact NE2-OD1 3.09Å; H569-D732 IonicContact NE2-OD2 2.97Å; H569-D732 PolarHBondContact NE2-OD2 2.93Å; R727-D732 PolarHBondContact O-N 3.28Å; E728-D732 CarbonylContact O-C 3.55Å; D732-R734 PolarHBondContact O-N 3.48Å
733	L	97.6	Very high	92.9	Very high	49 Å²	49	51 Å²	51	26%	0.257	27%	0.268	S	S	.	.			trans	58.8	43.4	174.7	-56	167	0	0	0	113.3	E728 V730 V731 P735 R946 L947 L949 H950	E728-L733 PolarHBondContact O-N 2.83Å; V730-L733 WeakPolarHBondContact O-CD2 3.4Å; V731-L733 VanDerWaalsContact C-N 3.33Å; L733-P735 WeakPolarHBondContact O-CD 3.48Å; L733-R946 HydrophobicContact CD2-CG 4.28Å; L733-L947 HydrophobicContact CD2-CD2 4.35Å; L733-L949 HydrophobicContact CD1-CD2 3.84Å; L733-L949 HydrophobicContact CD2-CD2 4.13Å; L733-L949 HydrophobicContact CG-CD2 4.4Å; L733-H950 PolarHBondContact O-CE1 3.09Å; L733-H950 VanDerWaalsContact O-CE1 3.28Å; L733-H950 PolarHBondContact O-NE2 3.47Å
734	R	97.2	Very high	91.6	Very high	67 Å²	67	55.6 Å²	55.6	25%	0.253	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-57.8	125.6	172	179.6	171.5	67.1	70.2	-5.8	110.2	E728 L729 D732 D777	E728-R734 HydrophobicContact CB-CB 4.17Å; E728-R734 WeakPolarHBondContact O-CB 3.4Å; E728-R734 PolarHBondContact O-N 2.82Å; E728-R734 IonicContact OE2-CZ 2.67Å; E728-R734 IonicContact OE2-NE 3.83Å; E728-R734 PolarHBondContact OE2-NE 3.01Å; E728-R734 IonicContact OE2-NH2 2.71Å; E728-R734 PolarHBondContact OE2-NH2 3.48Å; E728-R734 VanDerWaalsContact OE2-NH2 3.08Å; L729-R734 HydrophobicContact CD2-CB 4.49Å; D732-R734 PolarHBondContact O-N 3.48Å; R734-D777 IonicContact CZ-OD1 3.75Å; R734-D777 IonicContact CZ-OD2 3.9Å; R734-D777 IonicContact NH1-OD1 3.65Å; R734-D777 PolarHBondContact NH1-OD1 2.9Å; R734-D777 IonicContact NH1-OD2 3.9Å; R734-D777 PolarHBondContact NH1-OD2 2.67Å; R734-D777 IonicContact NH2-OD1 2.69Å; R734-D777 PolarHBondContact NH2-OD1 3.16Å; R734-D777 IonicContact NH2-OD2 2.72Å
735	P	97	Very high	90.4	Very high	81 Å²	81	51.8 Å²	51.8	53%	0.526	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-56.1	134	174.9	-27.6	35.8	0	0	0	113.2	L733	L733-P735 WeakPolarHBondContact O-CD 3.48Å
736	P	96.6	Very high	89.7	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.052	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.4	134.4	-178.6	27.3	-33.7	0	0	0	112.4	F738 D777 F778 H950 A953	P736-F738 HydrophobicContact CB-CE2 4.26Å; P736-F738 HydrophobicContact CG-CE2 4.07Å; P736-F738 HydrophobicContact CG-CZ 4.43Å; P736-F738 WeakPolarHBondContact O-CD2 3.38Å; P736-F738 VanDerWaalsContact O-CE2 3.28Å; P736-F738 WeakPolarHBondContact O-CE2 3.41Å; P736-D777 HydrophobicContact CB-CB 3.9Å; P736-F778 HydrophobicContact CB-CD1 3.78Å; P736-F778 HydrophobicContact CB-CE1 3.66Å; P736-F778 HydrophobicContact CB-CE2 4.39Å; P736-F778 HydrophobicContact CB-CG 4.21Å; P736-F778 HydrophobicContact CB-CZ 3.99Å; P736-F778 HydrophobicContact CG-CD1 4.3Å; P736-F778 HydrophobicContact CG-CD2 4.44Å; P736-F778 HydrophobicContact CG-CE1 3.79Å; P736-F778 HydrophobicContact CG-CE2 3.93Å; P736-F778 HydrophobicContact CG-CZ 3.58Å; P736-H950 HydrophobicContact CG-CB 4.24Å; P736-A953 HydrophobicContact CG-CB 3.67Å
737	E	95.6	Very high	89.2	Confident	94 Å²	94	53.8 Å²	53.8	44%	0.439	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-81.8	144.1	-179	-72.3	-172.6	-130.3	0	0	113.4	K776 D777	E737-K776 HydrophobicContact CB-CB 4Å; E737-K776 HydrophobicContact CB-CD 3.79Å; E737-K776 HydrophobicContact CB-CG 4.06Å; E737-K776 PolarHBondContact O-N 3.11Å; E737-K776 WeakPolarHBondContact OE2-CD 3.34Å; E737-K776 WeakPolarHBondContact OE2-CE 3.46Å; E737-K776 IonicContact OE2-NZ 2.58Å; E737-K776 PolarHBondContact OE2-NZ 2.93Å; E737-D777 PolarHBondContact N-OD2 3.27Å
738	F	93.7	Very high	88.4	Confident	53 Å²	53	64 Å²	64	23%	0.232	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-127.9	140.4	172.3	-60.6	-89	0	0	0	111	P736 K771 L774 E952 A953	P736-F738 HydrophobicContact CB-CE2 4.26Å; P736-F738 HydrophobicContact CG-CE2 4.07Å; P736-F738 HydrophobicContact CG-CZ 4.43Å; P736-F738 WeakPolarHBondContact O-CD2 3.38Å; P736-F738 VanDerWaalsContact O-CE2 3.28Å; P736-F738 WeakPolarHBondContact O-CE2 3.41Å; F738-K771 HydrophobicContact CD1-CD 3.74Å; F738-K771 VanDerWaalsContact CD1-NZ 3.26Å; F738-K771 HydrophobicContact CE1-CD 3.5Å; F738-K771 HydrophobicContact CE1-CG 3.98Å; F738-K771 VanDerWaalsContact CG-NZ 3.28Å; F738-K771 HydrophobicContact CZ-CD 4.17Å; F738-L774 CarbonylContact C-O 3.59Å; F738-L774 VanDerWaalsContact CA-O 3.22Å; F738-L774 WeakPolarHBondContact CA-O 3.46Å; F738-E952 HydrophobicContact CE2-CG 4.48Å; F738-A953 HydrophobicContact CE2-CB 4.3Å; F738-A953 HydrophobicContact CZ-CB 3.9Å
739	I	90	Very high	87.8	Confident	61 Å²	61	69.3 Å²	69.3	31%	0.313	36%	0.364	S	S	.	.			trans	-85.4	155.2	169.5	47.8	167.2	0	0	0	111	V745 L774 K776	I739-V745 HydrophobicContact CD1-CG2 3.31Å; I739-L774 HydrophobicContact CD1-CD2 4.36Å; I739-L774 HydrophobicContact CG1-CB 4.33Å; I739-L774 HydrophobicContact CG1-CD2 4Å; I739-L774 VanDerWaalsContact CG1-O 3.24Å; I739-L774 WeakPolarHBondContact CG1-O 3.28Å; I739-L774 PolarHBondContact N-O 3.23Å; I739-L774 WeakPolarHBondContact O-CD2 3.33Å; I739-K776 HydrophobicContact CG2-CG 4.39Å
740	T	81.6	Confident	87.3	Confident	126 Å²	126	69.5 Å²	69.5	77%	0.773	37%	0.366	S	S	*	.	S	Bend	trans	-82	-38.4	-171.6	50.4	0	0	0	0	114
741	N	78.3	Confident	86.8	Confident	96 Å²	96	73.2 Å²	73.2	51%	0.513	38%	0.382	S	S	.	.			trans	-112.5	127.4	-168.4	-76.9	-37.5	0	0	0	113.1	S743 S744	N741-S743 VanDerWaalsContact C-N 3.32Å; N741-S744 PolarHBondContact O-OG 3.36Å
742	L	74.3	Confident	86.3	Confident	57 Å²	57	78.2 Å²	78.2	30%	0.298	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-72.1	-25.1	172.4	-77.4	170.8	0	0	0	113.1	S744 V745 L746 K770 L773 L774	L742-S744 PolarHBondContact O-N 3.01Å; L742-V745 PolarHBondContact O-N 3.05Å; L742-L746 PolarHBondContact O-N 2.82Å; L742-K770 HydrophobicContact CD1-CD 4.19Å; L742-K770 HydrophobicContact CD1-CG 4.03Å; L742-K770 HydrophobicContact CD2-CG 4.43Å; L742-K770 HydrophobicContact CG-CG 4.47Å; L742-L773 HydrophobicContact CD2-CB 3.83Å; L742-L773 HydrophobicContact CD2-CD1 4.25Å; L742-L774 HydrophobicContact CD2-CD1 4.33Å; L742-L774 HydrophobicContact CD2-CD2 3.71Å; L742-L774 HydrophobicContact CD2-CG 3.76Å; L742-L774 HydrophobicContact CG-CD1 4.33Å; L742-L774 HydrophobicContact CG-CD2 3.91Å; L742-L774 HydrophobicContact CG-CG 4.19Å
743	S	70	Confident	85.9	Confident	78 Å²	78	78.3 Å²	78.3	55%	0.545	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-66.6	-24.2	-170.3	48.5	0	0	0	0	114	N741 K751	N741-S743 VanDerWaalsContact C-N 3.32Å; S743-K751 PolarHBondContact O-NZ 3.48Å
744	S	69.8	Low	85.5	Confident	97 Å²	97	76.1 Å²	76.1	68%	0.678	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-90.9	-10.5	174	49.4	0	0	0	0	114.2	N741 L742	N741-S744 PolarHBondContact O-OG 3.36Å; L742-S744 PolarHBondContact O-N 3.01Å
745	V	74	Confident	85.1	Confident	24 Å²	24	75 Å²	75	15%	0.145	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-44.1	179.7	-173.3	0	0	0	0	111.7	I739 L742 P747 L773 L774	I739-V745 HydrophobicContact CD1-CG2 3.31Å; L742-V745 PolarHBondContact O-N 3.05Å; V745-P747 WeakPolarHBondContact O-CD 3.35Å; V745-L773 HydrophobicContact CG1-CD2 4.41Å; V745-L773 WeakPolarHBondContact CG1-O 3.45Å; V745-L774 HydrophobicContact CG2-CD2 4.41Å
746	L	82.1	Confident	84.8	Confident	29 Å²	29	75.7 Å²	75.7	15%	0.152	40%	0.404	C	S	.	.	S	Bend	trans	-83.3	119.1	-171.8	-65.6	174	0	0	0	110.7	L742 K751 V754 L773 C803	L742-L746 PolarHBondContact O-N 2.82Å; L746-K751 HydrophobicContact CB-CG 4.02Å; L746-K751 WeakPolarHBondContact O-CE 3.22Å; L746-V754 HydrophobicContact CD1-CG1 4.45Å; L746-V754 HydrophobicContact CD2-CG1 4.37Å; L746-V754 HydrophobicContact CD2-CG2 4.35Å; L746-L773 HydrophobicContact CD2-CD1 4.05Å; L746-L773 HydrophobicContact CD2-CD2 4.19Å; L746-C803 VanDerWaalsContact CD2-SG 3.52Å
747	P	86.4	Confident	84.6	Confident	55 Å²	55	76.1 Å²	76.1	36%	0.357	41%	0.406	S	S	.	.			trans	-52.6	144.2	169.9	-24.7	34.3	0	0	0	110.8	V745 E749 A750 K751 C803	V745-P747 WeakPolarHBondContact O-CD 3.35Å; P747-E749 VanDerWaalsContact C-N 3.31Å; P747-E749 PolarHBondContact O-N 2.66Å; P747-A750 HydrophobicContact CB-CB 4.08Å; P747-A750 HydrophobicContact CG-CB 4.31Å; P747-A750 WeakPolarHBondContact O-CB 3.49Å; P747-A750 PolarHBondContact O-N 2.71Å; P747-K751 PolarHBondContact O-N 2.95Å; P747-C803 HydrophobicContact CG-CB 4.42Å
748	R	82.9	Confident	84.4	Confident	217 Å²	217	73.9 Å²	73.9	82%	0.819	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-47	-173.9	-67	-175.6	-179.7	-169.4	0.2	111.7	A750 K751	R748-A750 VanDerWaalsContact C-N 3.27Å; R748-A750 PolarHBondContact O-N 3.47Å; R748-K751 WeakPolarHBondContact O-CB 2.8Å; R748-K751 PolarHBondContact O-N 3.42Å
749	E	84.8	Confident	84.2	Confident	181 Å²	181	78.4 Å²	78.4	85%	0.846	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.1	177.1	-66.4	144.1	-127.2	0	0	114	P747	P747-E749 VanDerWaalsContact C-N 3.31Å; P747-E749 PolarHBondContact O-N 2.66Å
750	A	87.5	Confident	84	Confident	4 Å²	4	79.1 Å²	79.1	3%	0.033	44%	0.439	C	S	.	.	H	α-helix	trans	-78.6	-20.2	-179.6	0	0	0	0	0	113	P747 R748 D752 T753 V754 A802	P747-A750 HydrophobicContact CB-CB 4.08Å; P747-A750 HydrophobicContact CG-CB 4.31Å; P747-A750 WeakPolarHBondContact O-CB 3.49Å; P747-A750 PolarHBondContact O-N 2.71Å; R748-A750 VanDerWaalsContact C-N 3.27Å; R748-A750 PolarHBondContact O-N 3.47Å; A750-D752 PolarHBondContact O-N 3.22Å; A750-T753 PolarHBondContact O-N 2.97Å; A750-V754 WeakPolarHBondContact O-CB 3.37Å; A750-V754 WeakPolarHBondContact O-CG2 3.28Å; A750-V754 PolarHBondContact O-N 3.34Å; A750-A802 VanDerWaalsContact CB-O 3.25Å; A750-A802 WeakPolarHBondContact CB-O 3.41Å
751	K	87.1	Confident	84.5	Confident	78 Å²	78	73.7 Å²	73.7	34%	0.339	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-46.6	-166.9	-72	-179.9	-178.8	-175.8	0	113.2	S743 L746 P747 R748 V754 A755	S743-K751 PolarHBondContact O-NZ 3.48Å; L746-K751 HydrophobicContact CB-CG 4.02Å; L746-K751 WeakPolarHBondContact O-CE 3.22Å; P747-K751 PolarHBondContact O-N 2.95Å; R748-K751 WeakPolarHBondContact O-CB 2.8Å; R748-K751 PolarHBondContact O-N 3.42Å; K751-V754 PolarHBondContact O-N 2.89Å; K751-A755 VanDerWaalsContact O-CB 3.28Å; K751-A755 WeakPolarHBondContact O-CB 3.49Å; K751-A755 PolarHBondContact O-N 3.35Å
752	D	87.8	Confident	85.3	Confident	118 Å²	118	70.4 Å²	70.4	63%	0.631	39%	0.387	S	S	*	.	H	α-helix	trans	-71.3	-37.1	-178.9	-61	-44.3	0	0	0	112.3	A750 A755 N756	A750-D752 PolarHBondContact O-N 3.22Å; D752-A755 PolarHBondContact O-N 3.41Å; D752-N756 WeakPolarHBondContact O-CB 3.48Å; D752-N756 VanDerWaalsContact O-CG 3.32Å; D752-N756 PolarHBondContact O-N 3.11Å; D752-N756 PolarHBondContact O-ND2 3.31Å
753	T	89.6	Confident	86.3	Confident	72 Å²	72	76.3 Å²	76.3	44%	0.442	41%	0.411	S	S	.	.	H	α-helix	trans	-61	-48.7	173	-63.4	0	0	0	0	110.7	A750 N756 I757 A802	A750-T753 PolarHBondContact O-N 2.97Å; T753-N756 PolarHBondContact O-N 2.92Å; T753-I757 HydrophobicContact CG2-CD1 3.9Å; T753-I757 WeakPolarHBondContact O-CD1 3.46Å; T753-I757 WeakPolarHBondContact O-CG1 3.31Å; T753-I757 PolarHBondContact O-N 3.46Å; T753-A802 HydrophobicContact CG2-CB 3.8Å
754	V	89.6	Confident	87.6	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-42.3	177.5	172	0	0	0	0	111.2	L746 A750 K751 N756 I757 L758 I799 A802	L746-V754 HydrophobicContact CD1-CG1 4.45Å; L746-V754 HydrophobicContact CD2-CG1 4.37Å; L746-V754 HydrophobicContact CD2-CG2 4.35Å; A750-V754 WeakPolarHBondContact O-CB 3.37Å; A750-V754 WeakPolarHBondContact O-CG2 3.28Å; A750-V754 PolarHBondContact O-N 3.34Å; K751-V754 PolarHBondContact O-N 2.89Å; V754-N756 PolarHBondContact O-N 3.33Å; V754-I757 PolarHBondContact O-N 3.27Å; V754-L758 HydrophobicContact CG1-CD1 3.87Å; V754-L758 HydrophobicContact CG1-CG 4.22Å; V754-L758 WeakPolarHBondContact O-CB 3.44Å; V754-L758 VanDerWaalsContact O-CG 3.24Å; V754-L758 WeakPolarHBondContact O-CG 3.46Å; V754-L758 PolarHBondContact O-N 2.87Å; V754-I799 HydrophobicContact CG1-CD1 4.38Å; V754-I799 HydrophobicContact CG1-CG1 4.27Å; V754-I799 HydrophobicContact CG1-CG2 4.14Å; V754-I799 HydrophobicContact CG2-CG1 4.41Å; V754-I799 HydrophobicContact CG2-CG2 4.03Å; V754-A802 HydrophobicContact CG2-CB 4.44Å
755	A	88.7	Confident	88.8	Confident	44 Å²	44	69.3 Å²	69.3	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-44.1	175.9	0	0	0	0	0	112	K751 D752 L758 K759	K751-A755 VanDerWaalsContact O-CB 3.28Å; K751-A755 WeakPolarHBondContact O-CB 3.49Å; K751-A755 PolarHBondContact O-N 3.35Å; D752-A755 PolarHBondContact O-N 3.41Å; A755-L758 PolarHBondContact O-N 2.77Å; A755-K759 WeakPolarHBondContact O-CG 3.49Å; A755-K759 PolarHBondContact O-N 3.44Å
756	N	91.3	Very high	89.8	Confident	95 Å²	95	72.1 Å²	72.1	51%	0.508	37%	0.37	S	S	.	.	H	α-helix	trans	-66.6	-36.7	176.3	-75.3	-41.7	0	0	0	112.7	D752 T753 V754 K759	D752-N756 WeakPolarHBondContact O-CB 3.48Å; D752-N756 VanDerWaalsContact O-CG 3.32Å; D752-N756 PolarHBondContact O-N 3.11Å; D752-N756 PolarHBondContact O-ND2 3.31Å; T753-N756 PolarHBondContact O-N 2.92Å; V754-N756 PolarHBondContact O-N 3.33Å; N756-K759 WeakPolarHBondContact OD1-CE 3.37Å; N756-K759 PolarHBondContact OD1-NZ 3.42Å
757	I	91.4	Very high	90.5	Very high	18 Å²	18	76.4 Å²	76.4	9%	0.092	39%	0.389	C	S	.	.	H	α-helix	trans	-64.2	-44.6	171.7	-68.5	163.6	0	0	0	110.9	T753 V754 K759 T795 R798 I799	T753-I757 HydrophobicContact CG2-CD1 3.9Å; T753-I757 WeakPolarHBondContact O-CD1 3.46Å; T753-I757 WeakPolarHBondContact O-CG1 3.31Å; T753-I757 PolarHBondContact O-N 3.46Å; V754-I757 PolarHBondContact O-N 3.27Å; I757-K759 VanDerWaalsContact C-N 3.33Å; I757-K759 PolarHBondContact O-N 3.01Å; I757-T795 HydrophobicContact CG2-CG2 3.25Å; I757-R798 HydrophobicContact CD1-CB 4.17Å; I757-I799 HydrophobicContact CB-CG1 4.31Å; I757-I799 HydrophobicContact CD1-CG1 4.29Å; I757-I799 HydrophobicContact CG2-CD1 4Å; I757-I799 HydrophobicContact CG2-CG1 3.79Å
758	L	91.1	Very high	90.9	Very high	47 Å²	47	73.8 Å²	73.8	25%	0.246	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-32.5	-178.8	-73.6	172.7	0	0	0	112.7	V754 A755 G760 L761 K766 M769 I799	V754-L758 HydrophobicContact CG1-CD1 3.87Å; V754-L758 HydrophobicContact CG1-CG 4.22Å; V754-L758 WeakPolarHBondContact O-CB 3.44Å; V754-L758 VanDerWaalsContact O-CG 3.24Å; V754-L758 WeakPolarHBondContact O-CG 3.46Å; V754-L758 PolarHBondContact O-N 2.87Å; A755-L758 PolarHBondContact O-N 2.77Å; L758-G760 PolarHBondContact O-N 3.4Å; L758-G760 VanDerWaalsContact O-N 3.16Å; L758-L761 HydrophobicContact CD2-CD1 4.11Å; L758-L761 PolarHBondContact O-N 3.32Å; L758-L761 VanDerWaalsContact O-N 3.09Å; L758-K766 HydrophobicContact CD2-CG 4.5Å; L758-K766 WeakPolarHBondContact O-CE 3.14Å; L758-M769 HydrophobicContact CD2-CB 3.79Å; L758-M769 HydrophobicContact CD2-CG 3.79Å; L758-I799 HydrophobicContact CD2-CD1 3.86Å; L758-I799 HydrophobicContact CG-CD1 4.23Å
759	K	90.3	Very high	91.6	Very high	148 Å²	148	63.5 Å²	63.5	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-47.3	-47.2	-179.3	-78.8	171.1	-172.3	170.7	0	112.5	A755 N756 I757 L761 K766	A755-K759 WeakPolarHBondContact O-CG 3.49Å; A755-K759 PolarHBondContact O-N 3.44Å; N756-K759 WeakPolarHBondContact OD1-CE 3.37Å; N756-K759 PolarHBondContact OD1-NZ 3.42Å; I757-K759 VanDerWaalsContact C-N 3.33Å; I757-K759 PolarHBondContact O-N 3.01Å; K759-L761 VanDerWaalsContact C-N 3.3Å; K759-L761 PolarHBondContact O-N 3.08Å; K759-K766 PolarHBondContact O-NZ 2.92Å
760	G	85.6	Confident	92	Very high	75 Å²	75	60.3 Å²	60.3	77%	0.773	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	5.7	-176.2	0	0	0	0	0	117.1	L758	L758-G760 PolarHBondContact O-N 3.4Å; L758-G760 VanDerWaalsContact O-N 3.16Å
761	L	92.7	Very high	92.3	Very high	13 Å²	13	62.3 Å²	62.3	7%	0.068	33%	0.325	C	S	.	.	S	Bend	trans	-99.5	152.7	178.5	-67.7	-176.7	0	0	0	112.8	L758 K759 Q765 K766 M769 T795	L758-L761 HydrophobicContact CD2-CD1 4.11Å; L758-L761 PolarHBondContact O-N 3.32Å; L758-L761 VanDerWaalsContact O-N 3.09Å; K759-L761 VanDerWaalsContact C-N 3.3Å; K759-L761 PolarHBondContact O-N 3.08Å; L761-Q765 HydrophobicContact CB-CB 3.9Å; L761-Q765 HydrophobicContact CD1-CB 4.15Å; L761-Q765 HydrophobicContact CD2-CB 4.06Å; L761-Q765 HydrophobicContact CG-CB 4.26Å; L761-K766 HydrophobicContact CB-CG 3.84Å; L761-K766 WeakPolarHBondContact O-CE 3.31Å; L761-K766 PolarHBondContact O-NZ 3.2Å; L761-M769 HydrophobicContact CD1-CG 3.61Å; L761-M769 HydrophobicContact CD1-SD 4.35Å; L761-T795 HydrophobicContact CD1-CG2 3.85Å; L761-T795 HydrophobicContact CD2-CG2 4.01Å; L761-T795 HydrophobicContact CG-CG2 4.15Å
762	N	94.8	Very high	92.8	Very high	26 Å²	26	58.6 Å²	58.6	14%	0.139	31%	0.309	C	S	.	.			trans	-76.7	172.7	169.9	67.6	34.4	0	0	0	112.2	P764 Q765 K766 Y961	N762-P764 WeakPolarHBondContact OD1-CD 3.35Å; N762-Q765 VanDerWaalsContact CG-CD 3.44Å; N762-Q765 VanDerWaalsContact N-OE1 3.07Å; N762-Q765 VanDerWaalsContact ND2-CD 3.35Å; N762-Q765 PolarHBondContact ND2-NE2 2.8Å; N762-Q765 PolarHBondContact ND2-OE1 3.19Å; N762-Q765 PolarHBondContact O-N 3.13Å; N762-Q765 VanDerWaalsContact OD1-CB 3.31Å; N762-Q765 WeakPolarHBondContact OD1-CB 3.46Å; N762-Q765 VanDerWaalsContact OD1-CD 3.3Å; N762-Q765 WeakPolarHBondContact OD1-CG 3.48Å; N762-Q765 PolarHBondContact OD1-N 3.07Å; N762-Q765 PolarHBondContact OD1-OE1 2.78Å; N762-K766 WeakPolarHBondContact O-CG 3.34Å; N762-K766 PolarHBondContact O-N 3.23Å; N762-Y961 PolarHBondContact ND2-OH 3.08Å
763	K	95.1	Very high	93	Very high	182 Å²	182	53.2 Å²	53.2	79%	0.791	28%	0.28	S	S	*	.	H	α-helix	trans	-57.9	-51.5	-176.4	-71.1	178.2	-176.7	175.3	0	112.6	Q765 K766 Q767	K763-Q765 PolarHBondContact O-N 2.97Å; K763-K766 WeakPolarHBondContact O-CB 3.39Å; K763-K766 PolarHBondContact O-N 3.45Å; K763-Q767 PolarHBondContact O-N 2.97Å
764	P	96.2	Very high	93.3	Very high	15 Å²	15	50.4 Å²	50.4	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-43.4	174.9	-26	32	0	0	0	114.3	N762 K766 Q767 A768 L957 N958 V959	N762-P764 WeakPolarHBondContact OD1-CD 3.35Å; P764-K766 PolarHBondContact O-N 3.05Å; P764-Q767 WeakPolarHBondContact O-CB 3.44Å; P764-Q767 PolarHBondContact O-N 3.36Å; P764-A768 PolarHBondContact O-N 3.4Å; P764-L957 HydrophobicContact CB-CD2 3.93Å; P764-N958 WeakPolarHBondContact CG-OD1 3.29Å; P764-V959 HydrophobicContact CG-CG2 4.23Å
765	Q	96.1	Very high	93.5	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-41	178.3	-71.6	164.1	-8.4	0	0	111.4	L761 N762 K763 A768 M769 T787 T792 L957	L761-Q765 HydrophobicContact CB-CB 3.9Å; L761-Q765 HydrophobicContact CD1-CB 4.15Å; L761-Q765 HydrophobicContact CD2-CB 4.06Å; L761-Q765 HydrophobicContact CG-CB 4.26Å; N762-Q765 VanDerWaalsContact CG-CD 3.44Å; N762-Q765 VanDerWaalsContact N-OE1 3.07Å; N762-Q765 VanDerWaalsContact ND2-CD 3.35Å; N762-Q765 PolarHBondContact ND2-NE2 2.8Å; N762-Q765 PolarHBondContact ND2-OE1 3.19Å; N762-Q765 PolarHBondContact O-N 3.13Å; N762-Q765 VanDerWaalsContact OD1-CB 3.31Å; N762-Q765 WeakPolarHBondContact OD1-CB 3.46Å; N762-Q765 VanDerWaalsContact OD1-CD 3.3Å; N762-Q765 WeakPolarHBondContact OD1-CG 3.48Å; N762-Q765 PolarHBondContact OD1-N 3.07Å; N762-Q765 PolarHBondContact OD1-OE1 2.78Å; K763-Q765 PolarHBondContact O-N 2.97Å; Q765-A768 PolarHBondContact O-N 3.29Å; Q765-M769 WeakPolarHBondContact O-CG 3.34Å; Q765-M769 PolarHBondContact O-N 3.42Å; Q765-T787 PolarHBondContact NE2-O 3.46Å; Q765-T792 HydrophobicContact CG-CG2 4.35Å; Q765-L957 HydrophobicContact CG-CD2 4.08Å
766	K	95.6	Very high	93.8	Very high	83 Å²	83	53.3 Å²	53.3	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-42.4	172.9	-74.6	165.3	171.1	150.8	0	111.9	L758 K759 L761 N762 K763 P764 M769 K770	L758-K766 HydrophobicContact CD2-CG 4.5Å; L758-K766 WeakPolarHBondContact O-CE 3.14Å; K759-K766 PolarHBondContact O-NZ 2.92Å; L761-K766 HydrophobicContact CB-CG 3.84Å; L761-K766 WeakPolarHBondContact O-CE 3.31Å; L761-K766 PolarHBondContact O-NZ 3.2Å; N762-K766 WeakPolarHBondContact O-CG 3.34Å; N762-K766 PolarHBondContact O-N 3.23Å; K763-K766 WeakPolarHBondContact O-CB 3.39Å; K763-K766 PolarHBondContact O-N 3.45Å; P764-K766 PolarHBondContact O-N 3.05Å; K766-M769 PolarHBondContact O-N 2.75Å; K766-K770 PolarHBondContact O-N 2.93Å
767	Q	95.2	Very high	94.1	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-62.8	-41.5	175.4	-178.2	174	-11.9	0	0	111.9	K763 P764 K770 K771 V955	K763-Q767 PolarHBondContact O-N 2.97Å; P764-Q767 WeakPolarHBondContact O-CB 3.44Å; P764-Q767 PolarHBondContact O-N 3.36Å; Q767-K770 PolarHBondContact O-N 3.39Å; Q767-K771 WeakPolarHBondContact O-CB 3.46Å; Q767-K771 PolarHBondContact O-N 3.2Å; Q767-V955 HydrophobicContact CB-CG1 4.27Å; Q767-V955 HydrophobicContact CG-CG1 3.99Å; Q767-V955 HydrophobicContact CG-CG2 4.49Å
768	A	96.7	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-45.2	175.3	0	0	0	0	0	111.9	P764 Q765 K770 K771 V772 I781 V955 L957	P764-A768 PolarHBondContact O-N 3.4Å; Q765-A768 PolarHBondContact O-N 3.29Å; A768-K770 PolarHBondContact O-N 2.68Å; A768-K771 PolarHBondContact O-N 2.83Å; A768-V772 WeakPolarHBondContact O-CG2 3.32Å; A768-V772 PolarHBondContact O-N 3.27Å; A768-V772 VanDerWaalsContact O-N 3.09Å; A768-I781 HydrophobicContact CB-CD1 4.09Å; A768-I781 HydrophobicContact CB-CG1 4.37Å; A768-V955 HydrophobicContact CB-CB 4.34Å; A768-V955 HydrophobicContact CB-CG1 3.97Å; A768-L957 HydrophobicContact CB-CD2 4.29Å
769	M	95.7	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-46	176	-58.3	-52.5	93	0	0	111.4	L758 L761 Q765 K766 K771 L773 T792 L796 I799	L758-M769 HydrophobicContact CD2-CB 3.79Å; L758-M769 HydrophobicContact CD2-CG 3.79Å; L761-M769 HydrophobicContact CD1-CG 3.61Å; L761-M769 HydrophobicContact CD1-SD 4.35Å; Q765-M769 WeakPolarHBondContact O-CG 3.34Å; Q765-M769 PolarHBondContact O-N 3.42Å; K766-M769 PolarHBondContact O-N 2.75Å; M769-K771 VanDerWaalsContact C-N 3.34Å; M769-K771 PolarHBondContact O-N 3.2Å; M769-L773 WeakPolarHBondContact O-CG 3.34Å; M769-L773 PolarHBondContact O-N 3.02Å; M769-L773 VanDerWaalsContact O-N 3.13Å; M769-T792 HydrophobicContact CE-CG2 3.56Å; M769-L796 HydrophobicContact CE-CB 3.95Å; M769-L796 HydrophobicContact CE-CD1 4.49Å; M769-L796 VanDerWaalsContact SD-CA 3.58Å; M769-L796 HydrophobicContact SD-CB 3.74Å; M769-L796 HydrophobicContact SD-CD1 4.05Å; M769-L796 HydrophobicContact SD-CG 4.49Å; M769-I799 HydrophobicContact CB-CD1 4.08Å; M769-I799 HydrophobicContact CG-CD1 3.74Å; M769-I799 HydrophobicContact SD-CD1 3.9Å
770	K	93.6	Very high	95.1	Very high	115 Å²	115	39 Å²	39	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-57.9	-45.2	175.8	170.5	171.5	-179.7	-175.1	0	111.5	L742 K766 Q767 A768 L773 L774	L742-K770 HydrophobicContact CD1-CD 4.19Å; L742-K770 HydrophobicContact CD1-CG 4.03Å; L742-K770 HydrophobicContact CD2-CG 4.43Å; L742-K770 HydrophobicContact CG-CG 4.47Å; K766-K770 PolarHBondContact O-N 2.93Å; Q767-K770 PolarHBondContact O-N 3.39Å; A768-K770 PolarHBondContact O-N 2.68Å; K770-L773 PolarHBondContact O-N 2.91Å; K770-L774 HydrophobicContact CD-CD1 4.42Å; K770-L774 HydrophobicContact CG-CD1 3.8Å; K770-L774 VanDerWaalsContact O-CG 3.31Å; K770-L774 WeakPolarHBondContact O-CG 3.35Å; K770-L774 PolarHBondContact O-N 3.28Å; K770-L774 VanDerWaalsContact O-N 3.14Å
771	K	95.1	Very high	95.7	Very high	45 Å²	45	35.5 Å²	35.5	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-41.8	-174.5	-168.3	58.2	163.1	162.8	0	112.4	F738 Q767 A768 M769 L774 S775 T779 E952 V955	F738-K771 HydrophobicContact CD1-CD 3.74Å; F738-K771 VanDerWaalsContact CD1-NZ 3.26Å; F738-K771 HydrophobicContact CE1-CD 3.5Å; F738-K771 HydrophobicContact CE1-CG 3.98Å; F738-K771 VanDerWaalsContact CG-NZ 3.28Å; F738-K771 HydrophobicContact CZ-CD 4.17Å; Q767-K771 WeakPolarHBondContact O-CB 3.46Å; Q767-K771 PolarHBondContact O-N 3.2Å; A768-K771 PolarHBondContact O-N 2.83Å; M769-K771 VanDerWaalsContact C-N 3.34Å; M769-K771 PolarHBondContact O-N 3.2Å; K771-L774 PolarHBondContact O-N 2.93Å; K771-S775 PolarHBondContact O-N 2.62Å; K771-T779 HydrophobicContact CB-CG2 4.16Å; K771-T779 HydrophobicContact CG-CG2 3.76Å; K771-E952 WeakPolarHBondContact CE-O 3.18Å; K771-E952 PolarHBondContact NZ-O 3.02Å; K771-V955 HydrophobicContact CB-CG2 3.73Å; K771-V955 HydrophobicContact CG-CG2 3.78Å
772	V	96.3	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-39.6	174.9	176.4	0	0	0	0	112.1	A768 L774 S775 T779 I781 L796 F892 V917	A768-V772 WeakPolarHBondContact O-CG2 3.32Å; A768-V772 PolarHBondContact O-N 3.27Å; A768-V772 VanDerWaalsContact O-N 3.09Å; V772-L774 PolarHBondContact O-N 2.97Å; V772-S775 PolarHBondContact O-N 2.97Å; V772-S775 PolarHBondContact O-OG 3.47Å; V772-S775 VanDerWaalsContact O-OG 3.09Å; V772-T779 HydrophobicContact CG2-CG2 3.77Å; V772-I781 HydrophobicContact CG2-CD1 4.33Å; V772-L796 HydrophobicContact CB-CD1 4.01Å; V772-L796 HydrophobicContact CB-CD2 4.49Å; V772-L796 HydrophobicContact CG1-CD1 3.76Å; V772-L796 HydrophobicContact CG1-CD2 4.14Å; V772-L796 HydrophobicContact CG2-CD1 4.41Å; V772-L796 HydrophobicContact CG2-CD2 4.1Å; V772-F892 HydrophobicContact CG1-CD1 4.14Å; V772-F892 HydrophobicContact CG1-CE1 3.6Å; V772-F892 HydrophobicContact CG1-CZ 4.24Å; V772-V917 HydrophobicContact CB-CG2 4.32Å; V772-V917 HydrophobicContact CG1-CG2 3.53Å; V772-V917 HydrophobicContact CG2-CG1 3.97Å; V772-V917 HydrophobicContact CG2-CG2 3.77Å
773	L	93.4	Very high	96	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-27.7	176.6	-74.4	169.7	0	0	0	112.8	L742 V745 L746 M769 K770 I799 L800	L742-L773 HydrophobicContact CD2-CB 3.83Å; L742-L773 HydrophobicContact CD2-CD1 4.25Å; V745-L773 HydrophobicContact CG1-CD2 4.41Å; V745-L773 WeakPolarHBondContact CG1-O 3.45Å; L746-L773 HydrophobicContact CD2-CD1 4.05Å; L746-L773 HydrophobicContact CD2-CD2 4.19Å; M769-L773 WeakPolarHBondContact O-CG 3.34Å; M769-L773 PolarHBondContact O-N 3.02Å; M769-L773 VanDerWaalsContact O-N 3.13Å; K770-L773 PolarHBondContact O-N 2.91Å; L773-I799 HydrophobicContact CD1-CG2 4.07Å; L773-I799 HydrophobicContact CD2-CG2 4.13Å; L773-I799 HydrophobicContact CG-CG2 4.42Å; L773-L800 HydrophobicContact CD2-CD2 4.26Å
774	L	93.9	Very high	96	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.068	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.7	-179.8	-66.7	176.2	0	0	0	114.3	F738 I739 L742 V745 K770 K771 V772	F738-L774 CarbonylContact C-O 3.59Å; F738-L774 VanDerWaalsContact CA-O 3.22Å; F738-L774 WeakPolarHBondContact CA-O 3.46Å; I739-L774 HydrophobicContact CD1-CD2 4.36Å; I739-L774 HydrophobicContact CG1-CB 4.33Å; I739-L774 HydrophobicContact CG1-CD2 4Å; I739-L774 VanDerWaalsContact CG1-O 3.24Å; I739-L774 WeakPolarHBondContact CG1-O 3.28Å; I739-L774 PolarHBondContact N-O 3.23Å; I739-L774 WeakPolarHBondContact O-CD2 3.33Å; L742-L774 HydrophobicContact CD2-CD1 4.33Å; L742-L774 HydrophobicContact CD2-CD2 3.71Å; L742-L774 HydrophobicContact CD2-CG 3.76Å; L742-L774 HydrophobicContact CG-CD1 4.33Å; L742-L774 HydrophobicContact CG-CD2 3.91Å; L742-L774 HydrophobicContact CG-CG 4.19Å; V745-L774 HydrophobicContact CG2-CD2 4.41Å; K770-L774 HydrophobicContact CD-CD1 4.42Å; K770-L774 HydrophobicContact CG-CD1 3.8Å; K770-L774 VanDerWaalsContact O-CG 3.31Å; K770-L774 WeakPolarHBondContact O-CG 3.35Å; K770-L774 PolarHBondContact O-N 3.28Å; K770-L774 VanDerWaalsContact O-N 3.14Å; K771-L774 PolarHBondContact O-N 2.93Å; V772-L774 PolarHBondContact O-N 2.97Å
775	S	94.9	Very high	95.8	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-81.3	145.3	-179.2	65.6	0	0	0	0	112.9	K771 V772 F778 T779 R915	K771-S775 PolarHBondContact O-N 2.62Å; V772-S775 PolarHBondContact O-N 2.97Å; V772-S775 PolarHBondContact O-OG 3.47Å; V772-S775 VanDerWaalsContact O-OG 3.09Å; S775-F778 WeakPolarHBondContact CB-O 3.23Å; S775-T779 WeakPolarHBondContact CB-OG1 3.49Å; S775-T779 PolarHBondContact OG-OG1 3.27Å; S775-R915 WeakPolarHBondContact O-CD 3.22Å; S775-R915 PolarHBondContact O-NH1 3.24Å
776	K	94.9	Very high	95.6	Very high	104 Å²	104	25.1 Å²	25.1	45%	0.452	12%	0.118	S	C	.	.	S	Bend	trans	-98	-33.9	165.6	-59	-168.6	-167.9	172.2	0	112.5	E737 I739 R915	E737-K776 HydrophobicContact CB-CB 4Å; E737-K776 HydrophobicContact CB-CD 3.79Å; E737-K776 HydrophobicContact CB-CG 4.06Å; E737-K776 PolarHBondContact O-N 3.11Å; E737-K776 WeakPolarHBondContact OE2-CD 3.34Å; E737-K776 WeakPolarHBondContact OE2-CE 3.46Å; E737-K776 IonicContact OE2-NZ 2.58Å; E737-K776 PolarHBondContact OE2-NZ 2.93Å; I739-K776 HydrophobicContact CG2-CG 4.39Å; K776-R915 WeakPolarHBondContact O-CG 3.47Å
777	D	96.7	Very high	95.6	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.048	10%	0.101	C	C	.	.	S	Bend	trans	-105.6	-78.1	-178.8	-61.5	-75.5	0	0	0	111.6	L729 R734 P736 E737 R915 F916	L729-D777 HydrophobicContact CD1-CB 3.96Å; L729-D777 HydrophobicContact CD2-CB 3.85Å; R734-D777 IonicContact CZ-OD1 3.75Å; R734-D777 IonicContact CZ-OD2 3.9Å; R734-D777 IonicContact NH1-OD1 3.65Å; R734-D777 PolarHBondContact NH1-OD1 2.9Å; R734-D777 IonicContact NH1-OD2 3.9Å; R734-D777 PolarHBondContact NH1-OD2 2.67Å; R734-D777 IonicContact NH2-OD1 2.69Å; R734-D777 PolarHBondContact NH2-OD1 3.16Å; R734-D777 IonicContact NH2-OD2 2.72Å; P736-D777 HydrophobicContact CB-CB 3.9Å; E737-D777 PolarHBondContact N-OD2 3.27Å; D777-R915 VanDerWaalsContact O-CA 3.26Å; D777-R915 WeakPolarHBondContact O-CA 3.37Å; D777-F916 PolarHBondContact O-N 2.71Å; D777-F916 VanDerWaalsContact O-N 3.16Å
778	F	98.2	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	174.3	-176.4	69.1	-98.7	0	0	0	115.6	L729 P736 S775 L780 F916 L947 H950 A953	L729-F778 HydrophobicContact CD2-CD1 4.21Å; L729-F778 HydrophobicContact CD2-CE1 4.08Å; P736-F778 HydrophobicContact CB-CD1 3.78Å; P736-F778 HydrophobicContact CB-CE1 3.66Å; P736-F778 HydrophobicContact CB-CE2 4.39Å; P736-F778 HydrophobicContact CB-CG 4.21Å; P736-F778 HydrophobicContact CB-CZ 3.99Å; P736-F778 HydrophobicContact CG-CD1 4.3Å; P736-F778 HydrophobicContact CG-CD2 4.44Å; P736-F778 HydrophobicContact CG-CE1 3.79Å; P736-F778 HydrophobicContact CG-CE2 3.93Å; P736-F778 HydrophobicContact CG-CZ 3.58Å; S775-F778 WeakPolarHBondContact CB-O 3.23Å; F778-L780 HydrophobicContact CD2-CD2 4.01Å; F778-L780 HydrophobicContact CD2-CG 4.06Å; F778-L780 HydrophobicContact CE2-CD1 4.15Å; F778-L780 HydrophobicContact CE2-CD2 4.2Å; F778-L780 HydrophobicContact CE2-CG 4Å; F778-F916 CarbonylContact C-O 3.52Å; F778-F916 WeakPolarHBondContact CA-O 3.31Å; F778-F916 HydrophobicContact CB-CD1 4.08Å; F778-F916 HydrophobicContact CB-CD2 3.63Å; F778-F916 HydrophobicContact CB-CE1 3.86Å; F778-F916 HydrophobicContact CB-CE2 3.39Å; F778-F916 HydrophobicContact CB-CG 3.98Å; F778-F916 HydrophobicContact CB-CZ 3.51Å; F778-F916 WeakPolarHBondContact CB-O 3.34Å; F778-F916 HydrophobicContact CD1-CE1 4.3Å; F778-F916 HydrophobicContact CD1-CE2 4.21Å; F778-F916 AromaticContact CD1-CZ 3.71Å; F778-F916 HydrophobicContact CD1-CZ 3.71Å; F778-F916 HydrophobicContact CD2-CE2 4.39Å; F778-F916 HydrophobicContact CG-CD2 4.49Å; F778-F916 HydrophobicContact CG-CE1 4.44Å; F778-F916 AromaticContact CG-CE2 3.79Å; F778-F916 HydrophobicContact CG-CE2 3.79Å; F778-F916 AromaticContact CG-CZ 3.76Å; F778-F916 HydrophobicContact CG-CZ 3.76Å; F778-L947 HydrophobicContact CD2-CD1 4.48Å; F778-L947 HydrophobicContact CE1-CD1 4.36Å; F778-L947 HydrophobicContact CE1-CD2 4.3Å; F778-L947 HydrophobicContact CE2-CB 4.01Å; F778-L947 HydrophobicContact CE2-CD1 4.26Å; F778-L947 HydrophobicContact CZ-CB 4.05Å; F778-L947 HydrophobicContact CZ-CD1 4.19Å; F778-L947 HydrophobicContact CZ-CD2 4.07Å; F778-L947 HydrophobicContact CZ-CG 4.33Å; F778-H950 HydrophobicContact CE2-CB 4.47Å; F778-H950 HydrophobicContact CZ-CB 4.23Å; F778-H950 AromaticContact CZ-CD2 3.84Å; F778-A953 HydrophobicContact CD2-CB 4.14Å; F778-A953 HydrophobicContact CE2-CB 3.76Å
779	T	98.6	Very high	95.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141	172	-57.8	0	0	0	0	109.9	K771 V772 S775 F916 V917 L918	K771-T779 HydrophobicContact CB-CG2 4.16Å; K771-T779 HydrophobicContact CG-CG2 3.76Å; V772-T779 HydrophobicContact CG2-CG2 3.77Å; S775-T779 WeakPolarHBondContact CB-OG1 3.49Å; S775-T779 PolarHBondContact OG-OG1 3.27Å; T779-F916 PolarHBondContact N-O 3.07Å; T779-F916 VanDerWaalsContact N-O 3.1Å; T779-V917 WeakPolarHBondContact O-CA 3.43Å; T779-L918 PolarHBondContact O-N 2.97Å; T779-L918 VanDerWaalsContact O-N 3.09Å
780	L	98.6	Very high	95.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.9	-179.4	-53.3	178	0	0	0	109.5	F778 L918 F944 L947 E948 A953 V954 V955	F778-L780 HydrophobicContact CD2-CD2 4.01Å; F778-L780 HydrophobicContact CD2-CG 4.06Å; F778-L780 HydrophobicContact CE2-CD1 4.15Å; F778-L780 HydrophobicContact CE2-CD2 4.2Å; F778-L780 HydrophobicContact CE2-CG 4Å; L780-L918 WeakPolarHBondContact CA-O 3.36Å; L780-L918 HydrophobicContact CD2-CB 3.79Å; L780-L918 HydrophobicContact CD2-CD1 3.9Å; L780-L918 HydrophobicContact CD2-CG 3.98Å; L780-F944 HydrophobicContact CB-CE2 4.26Å; L780-F944 HydrophobicContact CB-CZ 4.42Å; L780-L947 VanDerWaalsContact CD1-C 3.46Å; L780-L947 HydrophobicContact CD1-CB 3.88Å; L780-L947 WeakPolarHBondContact CD1-O 3.48Å; L780-L947 HydrophobicContact CD2-CB 4.28Å; L780-E948 HydrophobicContact CD1-CB 4.45Å; L780-A953 PolarHBondContact N-O 2.75Å; L780-V954 HydrophobicContact CB-CG2 4.25Å; L780-V954 HydrophobicContact CD1-CG2 4.08Å; L780-V954 CarbonylContact O-C 3.21Å; L780-V954 WeakPolarHBondContact O-CA 3.37Å; L780-V955 PolarHBondContact O-N 2.8Å
781	I	98.4	Very high	95.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.7	177.7	-56.5	176.6	0	0	0	108.6	A768 V772 G783 V917 L918 V919 G920 V955 L957	A768-I781 HydrophobicContact CB-CD1 4.09Å; A768-I781 HydrophobicContact CB-CG1 4.37Å; V772-I781 HydrophobicContact CG2-CD1 4.33Å; I781-G783 PolarHBondContact O-N 2.92Å; I781-V917 HydrophobicContact CD1-CG1 3.74Å; I781-V917 HydrophobicContact CG1-CG1 4.09Å; I781-L918 PolarHBondContact N-O 2.66Å; I781-V919 HydrophobicContact CB-CB 4.47Å; I781-V919 HydrophobicContact CB-CG1 4.14Å; I781-V919 HydrophobicContact CB-CG2 4.11Å; I781-V919 HydrophobicContact CD1-CG2 4.16Å; I781-V919 HydrophobicContact CG1-CG2 4.47Å; I781-V919 HydrophobicContact CG2-CG1 4.22Å; I781-G920 PolarHBondContact O-N 2.87Å; I781-G920 VanDerWaalsContact O-N 3.11Å; I781-V955 WeakPolarHBondContact CA-O 3.37Å; I781-L957 HydrophobicContact CG2-CD1 3.81Å; I781-L957 HydrophobicContact CG2-CD2 4.35Å; I781-L957 HydrophobicContact CG2-CG 3.85Å
782	V	97.5	Very high	95.1	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	101.3	172.2	178.1	0	0	0	0	107.5	M784 G920 F944 V954 V955 Q956 L957	V782-M784 HydrophobicContact CG1-CE 4.49Å; V782-M784 HydrophobicContact CG1-CG 4.18Å; V782-G920 CarbonylContact C-O 3.53Å; V782-G920 WeakPolarHBondContact CA-O 3.48Å; V782-F944 HydrophobicContact CB-CZ 4.36Å; V782-F944 HydrophobicContact CG2-CE1 3.95Å; V782-F944 HydrophobicContact CG2-CZ 3.65Å; V782-V954 HydrophobicContact CG2-CG1 3.79Å; V782-V955 PolarHBondContact N-O 3.45Å; V782-Q956 HydrophobicContact CB-CB 4.49Å; V782-Q956 HydrophobicContact CB-CG 4.14Å; V782-Q956 HydrophobicContact CG2-CG 4.36Å; V782-L957 PolarHBondContact O-N 2.81Å
783	G	94.9	Very high	95.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	82.9	-177.9	0	0	0	0	0	111.9	I781 K789 G920	I781-G783 PolarHBondContact O-N 2.92Å; G783-K789 WeakPolarHBondContact O-CD 3.14Å; G783-G920 PolarHBondContact N-O 2.99Å
784	M	94.7	Very high	95.3	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.03	9%	0.087	C	C	.	.			trans	-59.2	162.8	-178.7	-53	176.7	179.3	0	0	112	V782 G786 T787 Q956 L957 N958 Y976 L980	V782-M784 HydrophobicContact CG1-CE 4.49Å; V782-M784 HydrophobicContact CG1-CG 4.18Å; M784-G786 PolarHBondContact O-N 2.68Å; M784-T787 HydrophobicContact CB-CG2 3.92Å; M784-T787 PolarHBondContact N-OG1 2.73Å; M784-T787 WeakPolarHBondContact O-CB 3.21Å; M784-T787 WeakPolarHBondContact O-CG2 3.4Å; M784-T787 PolarHBondContact O-N 3.16Å; M784-T787 PolarHBondContact O-OG1 2.75Å; M784-Q956 HydrophobicContact CE-CB 4.27Å; M784-L957 VanDerWaalsContact CG-O 3.28Å; M784-L957 WeakPolarHBondContact CG-O 3.44Å; M784-N958 HydrophobicContact SD-CB 4.29Å; M784-Y976 HydrophobicContact CB-CD1 4.46Å; M784-Y976 HydrophobicContact CB-CE1 4.07Å; M784-Y976 HydrophobicContact CE-CD1 4.01Å; M784-Y976 HydrophobicContact CG-CD1 3.92Å; M784-Y976 HydrophobicContact CG-CE1 3.77Å; M784-Y976 HydrophobicContact SD-CD1 3.65Å; M784-Y976 HydrophobicContact SD-CE1 4.15Å; M784-Y976 HydrophobicContact SD-CG 4.26Å; M784-L980 HydrophobicContact CB-CD2 3.64Å; M784-L980 HydrophobicContact CG-CD2 4.33Å; M784-L980 HydrophobicContact SD-CD2 3.71Å; M784-L980 HydrophobicContact SD-CG 4.18Å
785	P	93.3	Very high	95.4	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.026	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.3	-174.8	-28.3	37	0	0	0	113.7	T787 Q924 Q960 M963 Y976 T1144	P785-T787 PolarHBondContact O-N 3.37Å; P785-Q924 HydrophobicContact CG-CG 4.47Å; P785-Q960 VanDerWaalsContact O-CB 3.31Å; P785-Q960 WeakPolarHBondContact O-CB 3.34Å; P785-M963 HydrophobicContact CB-CE 4.33Å; P785-Y976 WeakPolarHBondContact CD-OH 3.39Å; P785-Y976 HydrophobicContact CG-CE2 4.24Å; P785-Y976 WeakPolarHBondContact CG-OH 3.42Å; P785-T1144 HydrophobicContact CB-CG2 3.85Å; P785-T1144 HydrophobicContact CG-CG2 3.85Å
786	G	92.3	Very high	95.6	Very high	17 Å²	17	14.3 Å²	14.3	18%	0.175	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-6.8	179.4	0	0	0	0	0	116.3	M784 G788 Y961	M784-G786 PolarHBondContact O-N 2.68Å; G786-G788 PolarHBondContact O-N 3.17Å; G786-G788 VanDerWaalsContact O-N 3.14Å; G786-Y961 PolarHBondContact O-N 3.49Å
787	T	94.5	Very high	95.7	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.006	6%	0.063	C	C	.	.	S	Bend	trans	-73.9	-1.3	-176	64.1	0	0	0	0	115.5	Q765 M784 P785 L957 V959 Q960 L980	Q765-T787 PolarHBondContact NE2-O 3.46Å; M784-T787 HydrophobicContact CB-CG2 3.92Å; M784-T787 PolarHBondContact N-OG1 2.73Å; M784-T787 WeakPolarHBondContact O-CB 3.21Å; M784-T787 WeakPolarHBondContact O-CG2 3.4Å; M784-T787 PolarHBondContact O-N 3.16Å; M784-T787 PolarHBondContact O-OG1 2.75Å; P785-T787 PolarHBondContact O-N 3.37Å; T787-L957 HydrophobicContact CG2-CB 4.26Å; T787-L957 WeakPolarHBondContact CG2-O 3.28Å; T787-V959 WeakPolarHBondContact CA-O 3.47Å; T787-Q960 HydrophobicContact CG2-CB 4.01Å; T787-L980 HydrophobicContact CG2-CD2 4.32Å
788	G	91.9	Very high	95.7	Very high	26 Å²	26	11.6 Å²	11.6	27%	0.268	7%	0.071	S	C	.	.			trans	81.9	31.3	172.7	0	0	0	0	0	115.5	G786 T790 T791 T792	G786-G788 PolarHBondContact O-N 3.17Å; G786-G788 VanDerWaalsContact O-N 3.14Å; G788-T790 VanDerWaalsContact C-N 3.29Å; G788-T790 PolarHBondContact O-N 2.75Å; G788-T790 VanDerWaalsContact O-N 3.07Å; G788-T791 WeakPolarHBondContact O-CA 3.48Å; G788-T791 VanDerWaalsContact O-CB 3.3Å; G788-T791 WeakPolarHBondContact O-CB 3.24Å; G788-T791 PolarHBondContact O-N 3.34Å; G788-T792 PolarHBondContact O-N 3.06Å; G788-T792 PolarHBondContact O-OG1 2.72Å
789	K	92.4	Very high	95.6	Very high	21 Å²	21	11.6 Å²	11.6	9%	0.091	7%	0.071	C	C	.	.	H	α-helix	trans	-28.5	-59.7	173.5	-79.8	-168.9	-68.4	-168.5	0	114.2	G783 T791 T792 I793 E897 V919	G783-K789 WeakPolarHBondContact O-CD 3.14Å; K789-T791 VanDerWaalsContact C-N 3.28Å; K789-T791 PolarHBondContact O-N 3.01Å; K789-T792 CarbonylContact O-C 3.47Å; K789-T792 WeakPolarHBondContact O-CA 3.4Å; K789-T792 WeakPolarHBondContact O-CB 3.24Å; K789-T792 PolarHBondContact O-N 2.92Å; K789-I793 WeakPolarHBondContact O-CG1 3.22Å; K789-I793 PolarHBondContact O-N 3.01Å; K789-E897 WeakPolarHBondContact CE-OE1 3.35Å; K789-E897 IonicContact NZ-OE1 3.58Å; K789-E897 PolarHBondContact NZ-OE1 2.89Å; K789-E897 IonicContact NZ-OE2 3.48Å; K789-E897 PolarHBondContact NZ-OE2 2.96Å; K789-V919 HydrophobicContact CB-CG1 4.46Å; K789-V919 HydrophobicContact CD-CG1 4.01Å; K789-V919 HydrophobicContact CG-CG1 4.06Å
790	T	92.3	Very high	95.4	Very high	40 Å²	40	11.6 Å²	11.6	25%	0.245	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-32.5	-178.4	-35.1	0	0	0	0	113.5	G788 C794 N819 I820 K823	G788-T790 VanDerWaalsContact C-N 3.29Å; G788-T790 PolarHBondContact O-N 2.75Å; G788-T790 VanDerWaalsContact O-N 3.07Å; T790-C794 WeakPolarHBondContact O-CB 3.39Å; T790-C794 PolarHBondContact O-N 2.65Å; T790-N819 HydrophobicContact CG2-CB 4.11Å; T790-I820 HydrophobicContact CG2-CB 4.27Å; T790-I820 HydrophobicContact CG2-CG1 3.51Å; T790-K823 HydrophobicContact CG2-CD 3.92Å
791	T	93.4	Very high	95.3	Very high	58 Å²	58	14.6 Å²	14.6	36%	0.356	9%	0.085	S	C	.	.	H	α-helix	trans	-74.7	-41.9	173	-57	0	0	0	0	110.9	G788 K789 C794 T795 K823	G788-T791 WeakPolarHBondContact O-CA 3.48Å; G788-T791 VanDerWaalsContact O-CB 3.3Å; G788-T791 WeakPolarHBondContact O-CB 3.24Å; G788-T791 PolarHBondContact O-N 3.34Å; K789-T791 VanDerWaalsContact C-N 3.28Å; K789-T791 PolarHBondContact O-N 3.01Å; T791-C794 PolarHBondContact O-N 2.93Å; T791-T795 WeakPolarHBondContact O-CB 3.48Å; T791-T795 PolarHBondContact O-N 2.75Å; T791-T795 PolarHBondContact O-OG1 3.43Å; T791-K823 PolarHBondContact OG1-NZ 2.96Å
792	T	96.3	Very high	95	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-58.9	-47.5	174.5	-49.2	0	0	0	0	110.8	Q765 M769 G788 K789 T795 L796 L957	Q765-T792 HydrophobicContact CG-CG2 4.35Å; M769-T792 HydrophobicContact CE-CG2 3.56Å; G788-T792 PolarHBondContact O-N 3.06Å; G788-T792 PolarHBondContact O-OG1 2.72Å; K789-T792 CarbonylContact O-C 3.47Å; K789-T792 WeakPolarHBondContact O-CA 3.4Å; K789-T792 WeakPolarHBondContact O-CB 3.24Å; K789-T792 PolarHBondContact O-N 2.92Å; T792-T795 PolarHBondContact O-N 3.44Å; T792-L796 PolarHBondContact O-N 3.39Å; T792-L957 HydrophobicContact CG2-CD1 4.04Å
793	I	97.4	Very high	94.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-46.9	177.9	-63.5	158	0	0	0	111.4	K789 T795 L796 V797 L809 I820 I894 D896 V919	K789-I793 WeakPolarHBondContact O-CG1 3.22Å; K789-I793 PolarHBondContact O-N 3.01Å; I793-T795 PolarHBondContact O-N 2.87Å; I793-L796 WeakPolarHBondContact O-CB 3.35Å; I793-L796 PolarHBondContact O-N 2.95Å; I793-L796 VanDerWaalsContact O-N 3.15Å; I793-V797 HydrophobicContact CG2-CG2 4.28Å; I793-V797 WeakPolarHBondContact O-CG2 3.16Å; I793-V797 PolarHBondContact O-N 3.07Å; I793-L809 HydrophobicContact CG2-CD1 3.87Å; I793-I820 HydrophobicContact CB-CD1 4.49Å; I793-I820 HydrophobicContact CD1-CD1 4.21Å; I793-I820 HydrophobicContact CG2-CD1 3.98Å; I793-I820 HydrophobicContact CG2-CG2 4.03Å; I793-I894 HydrophobicContact CG1-CG2 4.48Å; I793-I894 HydrophobicContact CG2-CG2 3.94Å; I793-D896 HydrophobicContact CD1-CB 3.68Å; I793-D896 WeakPolarHBondContact CD1-OD1 3.26Å; I793-D896 WeakPolarHBondContact CD1-OD2 3.48Å; I793-V919 HydrophobicContact CD1-CB 4.03Å; I793-V919 HydrophobicContact CD1-CG1 3.98Å; I793-V919 HydrophobicContact CD1-CG2 4.06Å; I793-V919 HydrophobicContact CG1-CB 4.38Å; I793-V919 HydrophobicContact CG1-CG1 4.31Å; I793-V919 HydrophobicContact CG1-CG2 3.89Å
794	C	96.8	Very high	94.8	Very high	2 Å²	2	19 Å²	19	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-55.4	-39.3	174.7	-178.9	0	0	0	0	111.6	T790 T791 R798 I820 K823 L824	T790-C794 WeakPolarHBondContact O-CB 3.39Å; T790-C794 PolarHBondContact O-N 2.65Å; T791-C794 PolarHBondContact O-N 2.93Å; C794-R798 VanDerWaalsContact O-CG 3.29Å; C794-R798 WeakPolarHBondContact O-CG 3.45Å; C794-R798 PolarHBondContact O-N 3.27Å; C794-R798 VanDerWaalsContact O-N 3.07Å; C794-I820 HydrophobicContact CB-CG2 4.38Å; C794-K823 HydrophobicContact CB-CB 4.01Å; C794-K823 HydrophobicContact CB-CD 4.3Å; C794-K823 WeakPolarHBondContact SG-CB 3.44Å; C794-L824 VanDerWaalsContact SG-CD2 3.58Å
795	T	96.2	Very high	94.8	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.043	13%	0.132	C	C	.	.	H	α-helix	trans	-72.2	-38.2	178.5	-50.8	0	0	0	0	112.4	I757 L761 T791 T792 I793 R798 I799	I757-T795 HydrophobicContact CG2-CG2 3.25Å; L761-T795 HydrophobicContact CD1-CG2 3.85Å; L761-T795 HydrophobicContact CD2-CG2 4.01Å; L761-T795 HydrophobicContact CG-CG2 4.15Å; T791-T795 WeakPolarHBondContact O-CB 3.48Å; T791-T795 PolarHBondContact O-N 2.75Å; T791-T795 PolarHBondContact O-OG1 3.43Å; T792-T795 PolarHBondContact O-N 3.44Å; I793-T795 PolarHBondContact O-N 2.87Å; T795-R798 WeakPolarHBondContact O-CB 3.44Å; T795-R798 PolarHBondContact O-N 2.89Å; T795-I799 HydrophobicContact CG2-CD1 4.47Å; T795-I799 WeakPolarHBondContact O-CG1 3.38Å; T795-I799 PolarHBondContact O-N 3.33Å
796	L	97.6	Very high	95	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-49.5	172.3	178.5	58.4	0	0	0	111.4	M769 V772 T792 I793 R798 I799 L800 I894 V917	M769-L796 HydrophobicContact CE-CB 3.95Å; M769-L796 HydrophobicContact CE-CD1 4.49Å; M769-L796 VanDerWaalsContact SD-CA 3.58Å; M769-L796 HydrophobicContact SD-CB 3.74Å; M769-L796 HydrophobicContact SD-CD1 4.05Å; M769-L796 HydrophobicContact SD-CG 4.49Å; V772-L796 HydrophobicContact CB-CD1 4.01Å; V772-L796 HydrophobicContact CB-CD2 4.49Å; V772-L796 HydrophobicContact CG1-CD1 3.76Å; V772-L796 HydrophobicContact CG1-CD2 4.14Å; V772-L796 HydrophobicContact CG2-CD1 4.41Å; V772-L796 HydrophobicContact CG2-CD2 4.1Å; T792-L796 PolarHBondContact O-N 3.39Å; I793-L796 WeakPolarHBondContact O-CB 3.35Å; I793-L796 PolarHBondContact O-N 2.95Å; I793-L796 VanDerWaalsContact O-N 3.15Å; L796-R798 VanDerWaalsContact C-N 3.27Å; L796-R798 PolarHBondContact O-N 3.37Å; L796-I799 PolarHBondContact O-N 2.99Å; L796-L800 HydrophobicContact CD1-CD1 4.09Å; L796-L800 HydrophobicContact CD1-CD2 4.43Å; L796-L800 HydrophobicContact CD1-CG 4.01Å; L796-L800 HydrophobicContact CG-CD1 4.03Å; L796-L800 HydrophobicContact CG-CG 4.34Å; L796-L800 WeakPolarHBondContact O-CG 3.28Å; L796-L800 PolarHBondContact O-N 3.39Å; L796-I894 HydrophobicContact CD2-CD1 3.84Å; L796-I894 HydrophobicContact CD2-CG1 4.42Å; L796-I894 HydrophobicContact CG-CD1 4.11Å; L796-V917 HydrophobicContact CD2-CG1 4.28Å; L796-V917 HydrophobicContact CD2-CG2 4.32Å
797	V	97.9	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-40.1	177.3	174.1	0	0	0	0	111.1	I793 L800 H801 V807 L824 V872 I894	I793-V797 HydrophobicContact CG2-CG2 4.28Å; I793-V797 WeakPolarHBondContact O-CG2 3.16Å; I793-V797 PolarHBondContact O-N 3.07Å; V797-L800 PolarHBondContact O-N 2.99Å; V797-H801 VanDerWaalsContact O-CB 3.23Å; V797-H801 WeakPolarHBondContact O-CB 3.4Å; V797-H801 PolarHBondContact O-N 2.88Å; V797-V807 HydrophobicContact CG2-CG1 4.4Å; V797-L824 HydrophobicContact CB-CD1 4.32Å; V797-L824 HydrophobicContact CB-CD2 4.01Å; V797-L824 HydrophobicContact CG1-CD1 3.82Å; V797-L824 HydrophobicContact CG1-CD2 3.78Å; V797-L824 HydrophobicContact CG1-CG 4.49Å; V797-V872 HydrophobicContact CG1-CG1 4.15Å; V797-V872 HydrophobicContact CG1-CG2 3.73Å; V797-I894 HydrophobicContact CG2-CD1 3.67Å
798	R	96.4	Very high	95.5	Very high	57 Å²	57	20.2 Å²	20.2	22%	0.215	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-42.7	173.5	-74.6	170.7	72.4	-147.6	0.3	112.9	I757 C794 T795 L796 A802 L824 V829	I757-R798 HydrophobicContact CD1-CB 4.17Å; C794-R798 VanDerWaalsContact O-CG 3.29Å; C794-R798 WeakPolarHBondContact O-CG 3.45Å; C794-R798 PolarHBondContact O-N 3.27Å; C794-R798 VanDerWaalsContact O-N 3.07Å; T795-R798 WeakPolarHBondContact O-CB 3.44Å; T795-R798 PolarHBondContact O-N 2.89Å; L796-R798 VanDerWaalsContact C-N 3.27Å; L796-R798 PolarHBondContact O-N 3.37Å; R798-A802 VanDerWaalsContact O-CB 3.25Å; R798-A802 WeakPolarHBondContact O-CB 3.5Å; R798-A802 PolarHBondContact O-N 2.74Å; R798-L824 HydrophobicContact CG-CD2 4.04Å; R798-V829 HydrophobicContact CG-CG2 3.72Å
799	I	95.4	Very high	95.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.7	-46.1	177	-73.1	172.1	0	0	0	110.7	V754 I757 L758 M769 L773 T795 L796 A802 C803	V754-I799 HydrophobicContact CG1-CD1 4.38Å; V754-I799 HydrophobicContact CG1-CG1 4.27Å; V754-I799 HydrophobicContact CG1-CG2 4.14Å; V754-I799 HydrophobicContact CG2-CG1 4.41Å; V754-I799 HydrophobicContact CG2-CG2 4.03Å; I757-I799 HydrophobicContact CB-CG1 4.31Å; I757-I799 HydrophobicContact CD1-CG1 4.29Å; I757-I799 HydrophobicContact CG2-CD1 4Å; I757-I799 HydrophobicContact CG2-CG1 3.79Å; L758-I799 HydrophobicContact CD2-CD1 3.86Å; L758-I799 HydrophobicContact CG-CD1 4.23Å; M769-I799 HydrophobicContact CB-CD1 4.08Å; M769-I799 HydrophobicContact CG-CD1 3.74Å; M769-I799 HydrophobicContact SD-CD1 3.9Å; L773-I799 HydrophobicContact CD1-CG2 4.07Å; L773-I799 HydrophobicContact CD2-CG2 4.13Å; L773-I799 HydrophobicContact CG-CG2 4.42Å; T795-I799 HydrophobicContact CG2-CD1 4.47Å; T795-I799 WeakPolarHBondContact O-CG1 3.38Å; T795-I799 PolarHBondContact O-N 3.33Å; L796-I799 PolarHBondContact O-N 2.99Å; I799-A802 PolarHBondContact O-N 2.76Å; I799-C803 PolarHBondContact O-N 3.35Å; I799-C803 PolarHBondContact O-SG 3.29Å
800	L	96.1	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-45.4	179.6	-66.6	-179.5	0	0	0	111.9	L773 L796 V797 A802 C803 G804 F805 V807 F892 I894	L773-L800 HydrophobicContact CD2-CD2 4.26Å; L796-L800 HydrophobicContact CD1-CD1 4.09Å; L796-L800 HydrophobicContact CD1-CD2 4.43Å; L796-L800 HydrophobicContact CD1-CG 4.01Å; L796-L800 HydrophobicContact CG-CD1 4.03Å; L796-L800 HydrophobicContact CG-CG 4.34Å; L796-L800 WeakPolarHBondContact O-CG 3.28Å; L796-L800 PolarHBondContact O-N 3.39Å; V797-L800 PolarHBondContact O-N 2.99Å; L800-A802 PolarHBondContact O-N 3.07Å; L800-C803 CarbonylContact O-C 3.6Å; L800-C803 PolarHBondContact O-N 2.87Å; L800-C803 VanDerWaalsContact O-N 3.09Å; L800-G804 PolarHBondContact O-N 3.01Å; L800-F805 HydrophobicContact CB-CB 4.29Å; L800-F805 HydrophobicContact CD2-CD2 3.87Å; L800-F805 PolarHBondContact O-N 2.75Å; L800-V807 HydrophobicContact CB-CG2 3.74Å; L800-V807 HydrophobicContact CD1-CG2 3.89Å; L800-V807 HydrophobicContact CG-CG2 4.49Å; L800-F892 HydrophobicContact CD1-CB 4.03Å; L800-F892 HydrophobicContact CD1-CD1 4.35Å; L800-F892 HydrophobicContact CD1-CD2 3.79Å; L800-F892 HydrophobicContact CD1-CE2 4.27Å; L800-F892 HydrophobicContact CD1-CG 3.81Å; L800-F892 HydrophobicContact CD2-CD2 3.71Å; L800-F892 HydrophobicContact CD2-CE2 3.36Å; L800-F892 HydrophobicContact CD2-CG 4.41Å; L800-F892 HydrophobicContact CD2-CZ 3.8Å; L800-F892 HydrophobicContact CG-CD2 4.31Å; L800-F892 HydrophobicContact CG-CE2 4.41Å; L800-I894 HydrophobicContact CD1-CD1 4.23Å
801	H	95.4	Very high	96.3	Very high	63 Å²	63	16 Å²	16	29%	0.292	10%	0.098	S	C	.	.	H	α-helix	trans	-61.1	-41.6	173.6	-178.9	-59.1	0	0	0	111.9	V797 C803 G804 V829	V797-H801 VanDerWaalsContact O-CB 3.23Å; V797-H801 WeakPolarHBondContact O-CB 3.4Å; V797-H801 PolarHBondContact O-N 2.88Å; H801-C803 PolarHBondContact O-N 3.39Å; H801-G804 PolarHBondContact O-N 2.8Å; H801-V829 HydrophobicContact CB-CG1 4.48Å; H801-V829 VanDerWaalsContact CD2-CG1 3.49Å; H801-V829 WeakPolarHBondContact CD2-CG1 3.3Å
802	A	93.3	Very high	96.1	Very high	33 Å²	33	19.3 Å²	19.3	27%	0.273	11%	0.105	S	C	.	.	H	α-helix	trans	-66.1	-21.7	175.6	0	0	0	0	0	113.2	A750 T753 V754 R798 I799 L800	A750-A802 VanDerWaalsContact CB-O 3.25Å; A750-A802 WeakPolarHBondContact CB-O 3.41Å; T753-A802 HydrophobicContact CG2-CB 3.8Å; V754-A802 HydrophobicContact CG2-CB 4.44Å; R798-A802 VanDerWaalsContact O-CB 3.25Å; R798-A802 WeakPolarHBondContact O-CB 3.5Å; R798-A802 PolarHBondContact O-N 2.74Å; I799-A802 PolarHBondContact O-N 2.76Å; L800-A802 PolarHBondContact O-N 3.07Å
803	C	92.6	Very high	95.7	Very high	13 Å²	13	22.1 Å²	22.1	9%	0.088	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.1	171.8	-59.4	0	0	0	0	113.4	L746 P747 I799 L800 H801 F805	L746-C803 VanDerWaalsContact CD2-SG 3.52Å; P747-C803 HydrophobicContact CG-CB 4.42Å; I799-C803 PolarHBondContact O-N 3.35Å; I799-C803 PolarHBondContact O-SG 3.29Å; L800-C803 CarbonylContact O-C 3.6Å; L800-C803 PolarHBondContact O-N 2.87Å; L800-C803 VanDerWaalsContact O-N 3.09Å; H801-C803 PolarHBondContact O-N 3.39Å; C803-F805 VanDerWaalsContact C-N 3.28Å; C803-F805 HydrophobicContact CB-CD2 3.63Å; C803-F805 HydrophobicContact CB-CE2 3.75Å; C803-F805 PolarHBondContact O-N 3.35Å
804	G	93.8	Very high	95.2	Very high	49 Å²	49	24.5 Å²	24.5	51%	0.505	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	7.4	-177.9	0	0	0	0	0	115.4	L800 H801	L800-G804 PolarHBondContact O-N 3.01Å; H801-G804 PolarHBondContact O-N 2.8Å
805	F	96	Very high	94.7	Very high	39 Å²	39	27.9 Å²	27.9	17%	0.171	16%	0.157	C	C	.	.			trans	-73.6	139.7	179.6	-69.5	-57.9	0	0	0	112	L800 C803 D891 F892	L800-F805 HydrophobicContact CB-CB 4.29Å; L800-F805 HydrophobicContact CD2-CD2 3.87Å; L800-F805 PolarHBondContact O-N 2.75Å; C803-F805 VanDerWaalsContact C-N 3.28Å; C803-F805 HydrophobicContact CB-CD2 3.63Å; C803-F805 HydrophobicContact CB-CE2 3.75Å; C803-F805 PolarHBondContact O-N 3.35Å; F805-D891 HydrophobicContact CB-CB 4.19Å; F805-D891 HydrophobicContact CD1-CB 3.81Å; F805-D891 HydrophobicContact CG-CB 4.36Å; F805-F892 HydrophobicContact CB-CD2 4.2Å; F805-F892 HydrophobicContact CB-CE2 4.38Å; F805-F892 HydrophobicContact CD1-CE2 4.4Å; F805-F892 AromaticContact CD2-CE2 3.89Å; F805-F892 HydrophobicContact CD2-CE2 3.89Å; F805-F892 HydrophobicContact CE2-CE2 4.26Å; F805-F892 HydrophobicContact CG-CD2 4.27Å; F805-F892 AromaticContact CG-CE2 3.98Å; F805-F892 HydrophobicContact CG-CE2 3.98Å
806	S	97.9	Very high	94.4	Very high	15 Å²	15	28.1 Å²	28.1	11%	0.105	16%	0.16	C	C	.	.			trans	-79.6	134	171.5	61.6	0	0	0	0	111.2	L871 F890 D891 F892	S806-L871 WeakPolarHBondContact CA-O 3.3Å; S806-F890 WeakPolarHBondContact OG-CA 3.36Å; S806-D891 PolarHBondContact N-OD2 3.35Å; S806-D891 PolarHBondContact O-N 3.1Å; S806-D891 PolarHBondContact OG-N 3.45Å; S806-D891 PolarHBondContact OG-OD2 3.08Å; S806-F892 PolarHBondContact O-N 2.94Å
807	V	98.6	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.5	-172.2	-172.9	0	0	0	0	112	V797 L800 L871 V872 V873 F892 I894	V797-V807 HydrophobicContact CG2-CG1 4.4Å; L800-V807 HydrophobicContact CB-CG2 3.74Å; L800-V807 HydrophobicContact CD1-CG2 3.89Å; L800-V807 HydrophobicContact CG-CG2 4.49Å; V807-L871 PolarHBondContact N-O 2.87Å; V807-V872 HydrophobicContact CB-CG2 4.39Å; V807-V872 WeakPolarHBondContact O-CA 3.34Å; V807-V873 PolarHBondContact O-N 2.99Å; V807-F892 WeakPolarHBondContact CA-O 3.28Å; V807-I894 HydrophobicContact CG1-CD1 3.85Å; V807-I894 HydrophobicContact CG1-CG1 4.19Å
808	L	98.6	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106	167.4	173.3	53.1	0	0	0	109.4	T810 V873 T875 F885 F890 F892 C893 I894 P909	L808-T810 HydrophobicContact CD1-CG2 3.8Å; L808-T810 HydrophobicContact CG-CG2 3.95Å; L808-V873 WeakPolarHBondContact CA-O 3.32Å; L808-T875 HydrophobicContact CD1-CG2 4.11Å; L808-F885 HydrophobicContact CD1-CE1 3.64Å; L808-F885 HydrophobicContact CD1-CZ 3.78Å; L808-F885 HydrophobicContact CD2-CD1 4.48Å; L808-F885 HydrophobicContact CD2-CE1 3.76Å; L808-F885 HydrophobicContact CG-CE1 4.34Å; L808-F890 HydrophobicContact CB-CB 4.12Å; L808-F890 HydrophobicContact CB-CD1 3.96Å; L808-F890 HydrophobicContact CB-CD2 3.84Å; L808-F890 HydrophobicContact CB-CE1 4.31Å; L808-F890 HydrophobicContact CB-CE2 4.22Å; L808-F890 HydrophobicContact CB-CG 3.7Å; L808-F890 HydrophobicContact CB-CZ 4.44Å; L808-F890 HydrophobicContact CD2-CD2 4.2Å; L808-F890 HydrophobicContact CD2-CE2 4.4Å; L808-F892 PolarHBondContact N-O 3.32Å; L808-C893 HydrophobicContact CB-CB 4.42Å; L808-C893 CarbonylContact O-C 3.43Å; L808-C893 VanDerWaalsContact O-CA 3.3Å; L808-C893 WeakPolarHBondContact O-CA 3.44Å; L808-I894 PolarHBondContact O-N 3.18Å; L808-P909 HydrophobicContact CD2-CB 3.98Å
809	L	98.6	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.5	179.1	-179.7	64.1	0	0	0	110.7	I793 I820 L821 L824 V873 A874 T875 I894	I793-L809 HydrophobicContact CG2-CD1 3.87Å; L809-I820 HydrophobicContact CD1-CD1 3.99Å; L809-I820 HydrophobicContact CD2-CB 4.07Å; L809-I820 HydrophobicContact CD2-CD1 4.33Å; L809-I820 HydrophobicContact CD2-CG2 3.71Å; L809-I820 HydrophobicContact CG-CD1 4.5Å; L809-L821 HydrophobicContact CD2-CD2 4.13Å; L809-L824 HydrophobicContact CD2-CD1 4.38Å; L809-V873 PolarHBondContact N-O 3.01Å; L809-A874 HydrophobicContact CB-CB 4.25Å; L809-A874 HydrophobicContact CD2-CB 4.45Å; L809-A874 VanDerWaalsContact O-CA 3.3Å; L809-A874 WeakPolarHBondContact O-CA 2.97Å; L809-T875 PolarHBondContact O-N 3.41Å; L809-I894 HydrophobicContact CD1-CB 4.07Å; L809-I894 HydrophobicContact CD1-CG2 4.21Å
810	T	98.3	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	161	-177	63.4	0	0	0	0	114.2	L808 T875 I894 V895 D896 P909	L808-T810 HydrophobicContact CD1-CG2 3.8Å; L808-T810 HydrophobicContact CG-CG2 3.95Å; T810-T875 VanDerWaalsContact CA-O 3.27Å; T810-T875 WeakPolarHBondContact CA-O 3.27Å; T810-T875 HydrophobicContact CG2-CG2 3.87Å; T810-I894 PolarHBondContact N-O 3.17Å; T810-I894 PolarHBondContact OG1-O 2.75Å; T810-I894 VanDerWaalsContact OG1-O 3.06Å; T810-V895 CarbonylContact O-C 3.54Å; T810-V895 WeakPolarHBondContact O-CA 3.44Å; T810-D896 PolarHBondContact O-N 2.81Å; T810-P909 HydrophobicContact CG2-CB 3.95Å; T810-P909 HydrophobicContact CG2-CG 4.42Å
811	S	95.3	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	178.7	165.8	-172.9	0	0	0	0	108.8	A816 T876 C877 D896	S811-A816 WeakPolarHBondContact OG-CB 3.36Å; S811-T876 CarbonylContact O-C 3.58Å; S811-T876 VanDerWaalsContact O-CA 3.26Å; S811-T876 WeakPolarHBondContact O-CA 3.23Å; S811-C877 VanDerWaalsContact C-SG 3.59Å; S811-C877 PolarHBondContact O-N 3.24Å; S811-C877 PolarHBondContact O-SG 3.15Å; S811-C877 VanDerWaalsContact O-SG 3.34Å; S811-D896 WeakPolarHBondContact CA-O 3.47Å; S811-D896 VanDerWaalsContact CB-O 3.3Å; S811-D896 WeakPolarHBondContact CB-O 3.33Å; S811-D896 PolarHBondContact OG-O 3.19Å
812	Y	89.7	Confident	94	Very high	127 Å²	127	27.5 Å²	27.5	50%	0.498	16%	0.163	S	C	.	.	S	Bend	trans	-70.1	-45.1	174.6	-164.8	-118.9	0	0	0	112.3	I901	Y812-I901 HydrophobicContact CD2-CG1 4.47Å
813	T	87.3	Confident	94.1	Very high	60 Å²	60	29.3 Å²	29.3	37%	0.368	16%	0.164	S	C	.	.	S	Bend	trans	-101.4	151.4	-172.2	67.8	0	0	0	0	112	S815 A816	T813-S815 VanDerWaalsContact C-N 3.34Å; T813-S815 PolarHBondContact OG1-OG 3.16Å; T813-A816 VanDerWaalsContact OG1-CB 3.28Å; T813-A816 WeakPolarHBondContact OG1-CB 3.25Å; T813-A816 PolarHBondContact OG1-N 2.76Å
814	H	86.6	Confident	94.3	Very high	50 Å²	50	28.7 Å²	28.7	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-39.9	174.8	-77.1	-111.1	0	0	0	112.2	A816 V817 D818 R833 K839	H814-A816 PolarHBondContact O-N 2.94Å; H814-V817 PolarHBondContact O-N 3.42Å; H814-D818 WeakPolarHBondContact O-CB 3.41Å; H814-D818 PolarHBondContact O-N 3.22Å; H814-R833 PolarHBondContact ND1-NH2 2.94Å; H814-R833 PolarHBondContact O-NH2 3.34Å; H814-K839 WeakPolarHBondContact CB-O 3.37Å; H814-K839 VanDerWaalsContact CG-O 3.26Å; H814-K839 PolarHBondContact ND1-O 3.17Å; H814-K839 VanDerWaalsContact ND1-O 3.08Å
815	S	86.4	Confident	94.4	Very high	72 Å²	72	29 Å²	29	50%	0.503	15%	0.148	S	C	.	.	H	α-helix	trans	-65.8	-36.7	-178.5	48.2	0	0	0	0	113.3	T813 D818 N819	T813-S815 VanDerWaalsContact C-N 3.34Å; T813-S815 PolarHBondContact OG1-OG 3.16Å; S815-D818 PolarHBondContact O-N 2.82Å; S815-N819 VanDerWaalsContact O-CB 3.26Å; S815-N819 WeakPolarHBondContact O-CB 3.36Å; S815-N819 PolarHBondContact O-N 3.23Å; S815-N819 PolarHBondContact O-ND2 2.9Å; S815-N819 VanDerWaalsContact O-ND2 3.12Å
816	A	89.9	Confident	94.3	Very high	13 Å²	13	36.3 Å²	36.3	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-48.3	174.8	0	0	0	0	0	111.5	S811 T813 H814 N819 I820	S811-A816 WeakPolarHBondContact OG-CB 3.36Å; T813-A816 VanDerWaalsContact OG1-CB 3.28Å; T813-A816 WeakPolarHBondContact OG1-CB 3.25Å; T813-A816 PolarHBondContact OG1-N 2.76Å; H814-A816 PolarHBondContact O-N 2.94Å; A816-N819 PolarHBondContact O-N 3.08Å; A816-I820 WeakPolarHBondContact O-CG1 3.48Å; A816-I820 PolarHBondContact O-N 3.33Å
817	V	94.3	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-51.4	175.1	-179.4	0	0	0	0	110.6	H814 N819 I820 L821 A874 T875	H814-V817 PolarHBondContact O-N 3.42Å; V817-N819 VanDerWaalsContact C-N 3.32Å; V817-N819 PolarHBondContact O-N 3.28Å; V817-I820 WeakPolarHBondContact O-CB 3.31Å; V817-I820 PolarHBondContact O-N 3.38Å; V817-L821 HydrophobicContact CG1-CD1 4.09Å; V817-L821 HydrophobicContact CG1-CG 4.38Å; V817-L821 WeakPolarHBondContact O-CG 3.35Å; V817-L821 PolarHBondContact O-N 3.13Å; V817-L821 VanDerWaalsContact O-N 3.11Å; V817-A874 HydrophobicContact CG1-CB 3.9Å; V817-T875 WeakPolarHBondContact CG2-O 3.41Å
818	D	94.1	Very high	93.8	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-32.1	-173.7	-64.5	-8.8	0	0	0	112.4	H814 S815 I820 L821 L822 R833 V840 H841 I844	H814-D818 WeakPolarHBondContact O-CB 3.41Å; H814-D818 PolarHBondContact O-N 3.22Å; S815-D818 PolarHBondContact O-N 2.82Å; D818-I820 VanDerWaalsContact C-N 3.26Å; D818-I820 PolarHBondContact O-N 3.1Å; D818-L821 PolarHBondContact O-N 3.31Å; D818-L822 WeakPolarHBondContact O-CB 3.43Å; D818-L822 VanDerWaalsContact O-CG 3.29Å; D818-L822 WeakPolarHBondContact O-CG 3.46Å; D818-L822 PolarHBondContact O-N 3.48Å; D818-R833 IonicContact OD1-CZ 2.68Å; D818-R833 IonicContact OD1-NE 3.17Å; D818-R833 PolarHBondContact OD1-NE 3.14Å; D818-R833 IonicContact OD1-NH2 2.73Å; D818-R833 PolarHBondContact OD1-NH2 2.91Å; D818-R833 IonicContact OD2-NH2 2.72Å; D818-V840 WeakPolarHBondContact OD2-CA 3.45Å; D818-H841 HydrophobicContact CB-CB 3.83Å; D818-H841 PolarHBondContact OD2-N 3.47Å; D818-I844 HydrophobicContact CB-CG1 4.46Å
819	N	92.9	Very high	93.6	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-30.5	173.1	-78.7	-26	0	0	0	113.2	T790 S815 A816 V817	T790-N819 HydrophobicContact CG2-CB 4.11Å; S815-N819 VanDerWaalsContact O-CB 3.26Å; S815-N819 WeakPolarHBondContact O-CB 3.36Å; S815-N819 PolarHBondContact O-N 3.23Å; S815-N819 PolarHBondContact O-ND2 2.9Å; S815-N819 VanDerWaalsContact O-ND2 3.12Å; A816-N819 PolarHBondContact O-N 3.08Å; V817-N819 VanDerWaalsContact C-N 3.32Å; V817-N819 PolarHBondContact O-N 3.28Å
820	I	96.1	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-76.3	-44.2	173.5	-55.5	163.4	0	0	0	109.5	T790 I793 C794 L809 A816 V817 D818 L822 K823 L824 D896	T790-I820 HydrophobicContact CG2-CB 4.27Å; T790-I820 HydrophobicContact CG2-CG1 3.51Å; I793-I820 HydrophobicContact CB-CD1 4.49Å; I793-I820 HydrophobicContact CD1-CD1 4.21Å; I793-I820 HydrophobicContact CG2-CD1 3.98Å; I793-I820 HydrophobicContact CG2-CG2 4.03Å; C794-I820 HydrophobicContact CB-CG2 4.38Å; L809-I820 HydrophobicContact CD1-CD1 3.99Å; L809-I820 HydrophobicContact CD2-CB 4.07Å; L809-I820 HydrophobicContact CD2-CD1 4.33Å; L809-I820 HydrophobicContact CD2-CG2 3.71Å; L809-I820 HydrophobicContact CG-CD1 4.5Å; A816-I820 WeakPolarHBondContact O-CG1 3.48Å; A816-I820 PolarHBondContact O-N 3.33Å; V817-I820 WeakPolarHBondContact O-CB 3.31Å; V817-I820 PolarHBondContact O-N 3.38Å; D818-I820 VanDerWaalsContact C-N 3.26Å; D818-I820 PolarHBondContact O-N 3.1Å; I820-L822 VanDerWaalsContact C-N 3.33Å; I820-L822 PolarHBondContact O-N 2.91Å; I820-K823 WeakPolarHBondContact O-CB 3.33Å; I820-K823 PolarHBondContact O-N 2.95Å; I820-K823 VanDerWaalsContact O-N 3.08Å; I820-L824 HydrophobicContact CG2-CD1 4.04Å; I820-L824 HydrophobicContact CG2-CG 4.48Å; I820-L824 PolarHBondContact O-N 3.18Å; I820-D896 HydrophobicContact CD1-CB 4.07Å
821	L	97.1	Very high	93.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-38.7	178	-63.8	-178.3	0	0	0	112.6	L809 V817 D818 K823 L824 K825 F831 R833 I844 A874	L809-L821 HydrophobicContact CD2-CD2 4.13Å; V817-L821 HydrophobicContact CG1-CD1 4.09Å; V817-L821 HydrophobicContact CG1-CG 4.38Å; V817-L821 WeakPolarHBondContact O-CG 3.35Å; V817-L821 PolarHBondContact O-N 3.13Å; V817-L821 VanDerWaalsContact O-N 3.11Å; D818-L821 PolarHBondContact O-N 3.31Å; L821-K823 PolarHBondContact O-N 3.28Å; L821-L824 HydrophobicContact CD2-CD1 4.11Å; L821-L824 PolarHBondContact O-N 3.19Å; L821-L824 VanDerWaalsContact O-N 3.16Å; L821-K825 WeakPolarHBondContact O-CB 3.2Å; L821-K825 PolarHBondContact O-N 3.06Å; L821-F831 HydrophobicContact CB-CE1 4.48Å; L821-F831 HydrophobicContact CB-CE2 3.91Å; L821-F831 HydrophobicContact CB-CZ 3.88Å; L821-F831 HydrophobicContact CD1-CD2 4.14Å; L821-F831 HydrophobicContact CD1-CE2 3.98Å; L821-F831 HydrophobicContact CD2-CB 4.28Å; L821-F831 HydrophobicContact CD2-CD1 4.09Å; L821-F831 HydrophobicContact CD2-CD2 3.58Å; L821-F831 HydrophobicContact CD2-CE1 4.31Å; L821-F831 HydrophobicContact CD2-CE2 3.83Å; L821-F831 HydrophobicContact CD2-CG 3.72Å; L821-F831 HydrophobicContact CD2-CZ 4.2Å; L821-F831 HydrophobicContact CG-CD2 4.29Å; L821-F831 HydrophobicContact CG-CE2 4.11Å; L821-F831 HydrophobicContact CG-CZ 4.49Å; L821-R833 HydrophobicContact CD1-CB 4.14Å; L821-R833 HydrophobicContact CD1-CG 4.12Å; L821-I844 HydrophobicContact CB-CD1 3.83Å; L821-I844 HydrophobicContact CB-CG1 4.29Å; L821-I844 HydrophobicContact CB-CG2 4.4Å; L821-I844 HydrophobicContact CD1-CG2 3.83Å; L821-A874 HydrophobicContact CD1-CB 3.87Å; L821-A874 HydrophobicContact CD2-CB 3.81Å; L821-A874 HydrophobicContact CG-CB 4.26Å
822	L	96.3	Very high	93.5	Very high	20 Å²	20	54.3 Å²	54.3	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-31.4	174.3	-76.1	169.7	0	0	0	112.9	D818 I820 R826 E843 I844	D818-L822 WeakPolarHBondContact O-CB 3.43Å; D818-L822 VanDerWaalsContact O-CG 3.29Å; D818-L822 WeakPolarHBondContact O-CG 3.46Å; D818-L822 PolarHBondContact O-N 3.48Å; I820-L822 VanDerWaalsContact C-N 3.33Å; I820-L822 PolarHBondContact O-N 2.91Å; L822-R826 WeakPolarHBondContact O-CG 3.43Å; L822-E843 HydrophobicContact CD2-CB 3.65Å; L822-E843 HydrophobicContact CD2-CG 4.43Å; L822-I844 HydrophobicContact CD2-CD1 3.78Å; L822-I844 HydrophobicContact CD2-CG1 3.94Å; L822-I844 HydrophobicContact CG-CD1 3.97Å; L822-I844 HydrophobicContact CG-CG1 4.01Å
823	K	95.3	Very high	93.8	Very high	70 Å²	70	48.2 Å²	48.2	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-77.9	-42.9	172.7	-67	168.1	178.2	-90.3	0	111.2	T790 T791 C794 I820 L821 K825 R826 F827	T790-K823 HydrophobicContact CG2-CD 3.92Å; T791-K823 PolarHBondContact OG1-NZ 2.96Å; C794-K823 HydrophobicContact CB-CB 4.01Å; C794-K823 HydrophobicContact CB-CD 4.3Å; C794-K823 WeakPolarHBondContact SG-CB 3.44Å; I820-K823 WeakPolarHBondContact O-CB 3.33Å; I820-K823 PolarHBondContact O-N 2.95Å; I820-K823 VanDerWaalsContact O-N 3.08Å; L821-K823 PolarHBondContact O-N 3.28Å; K823-K825 VanDerWaalsContact C-N 3.35Å; K823-K825 PolarHBondContact O-N 3.36Å; K823-R826 WeakPolarHBondContact O-CB 3.26Å; K823-R826 PolarHBondContact O-N 3.28Å; K823-R826 VanDerWaalsContact O-N 3.17Å; K823-F827 WeakPolarHBondContact O-CD2 3.45Å; K823-F827 PolarHBondContact O-N 3.41Å
824	L	96.4	Very high	94.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-40.8	178.2	-71.8	169.1	0	0	0	112.6	C794 V797 R798 L809 I820 L821 R826 F827 R828 V829 F831	C794-L824 VanDerWaalsContact SG-CD2 3.58Å; V797-L824 HydrophobicContact CB-CD1 4.32Å; V797-L824 HydrophobicContact CB-CD2 4.01Å; V797-L824 HydrophobicContact CG1-CD1 3.82Å; V797-L824 HydrophobicContact CG1-CD2 3.78Å; V797-L824 HydrophobicContact CG1-CG 4.49Å; R798-L824 HydrophobicContact CG-CD2 4.04Å; L809-L824 HydrophobicContact CD2-CD1 4.38Å; I820-L824 HydrophobicContact CG2-CD1 4.04Å; I820-L824 HydrophobicContact CG2-CG 4.48Å; I820-L824 PolarHBondContact O-N 3.18Å; L821-L824 HydrophobicContact CD2-CD1 4.11Å; L821-L824 PolarHBondContact O-N 3.19Å; L821-L824 VanDerWaalsContact O-N 3.16Å; L824-R826 VanDerWaalsContact C-N 3.31Å; L824-R826 PolarHBondContact O-N 2.97Å; L824-F827 CarbonylContact O-C 3.57Å; L824-F827 WeakPolarHBondContact O-CA 3.34Å; L824-F827 PolarHBondContact O-N 2.94Å; L824-R828 PolarHBondContact O-N 2.85Å; L824-V829 HydrophobicContact CB-CB 4.25Å; L824-V829 HydrophobicContact CD2-CB 4.12Å; L824-V829 HydrophobicContact CD2-CG1 4.27Å; L824-V829 HydrophobicContact CD2-CG2 4.01Å; L824-V829 PolarHBondContact O-N 3.11Å; L824-F831 HydrophobicContact CB-CD1 4.15Å; L824-F831 HydrophobicContact CB-CE1 4.02Å
825	K	95.9	Very high	94.1	Very high	55 Å²	55	44.6 Å²	44.6	24%	0.239	22%	0.216	C	C	.	.	H	α-helix	trans	-53.1	-44.8	172.2	179.5	-179.4	178.1	-173.6	0	112.2	L821 K823 F827 R828 F831 E843 I844 Y847	L821-K825 WeakPolarHBondContact O-CB 3.2Å; L821-K825 PolarHBondContact O-N 3.06Å; K823-K825 VanDerWaalsContact C-N 3.35Å; K823-K825 PolarHBondContact O-N 3.36Å; K825-F827 VanDerWaalsContact C-N 3.26Å; K825-F827 PolarHBondContact O-N 2.69Å; K825-R828 PolarHBondContact O-N 2.94Å; K825-F831 HydrophobicContact CB-CE1 4.3Å; K825-F831 HydrophobicContact CB-CZ 4.31Å; K825-E843 PolarHBondContact NZ-O 2.65Å; K825-E843 IonicContact NZ-OE2 2.78Å; K825-E843 PolarHBondContact NZ-OE2 3.43Å; K825-I844 HydrophobicContact CD-CD1 4.36Å; K825-Y847 HydrophobicContact CD-CE2 4Å; K825-Y847 HydrophobicContact CG-CE2 4.34Å
826	R	94.2	Very high	93.8	Very high	193 Å²	193	46.1 Å²	46.1	73%	0.728	22%	0.215	S	C	*	.	H	α-helix	trans	-65.6	-27.7	177.9	-65.5	171.1	-171.1	-158.7	-0.3	112.8	L822 K823 L824	L822-R826 WeakPolarHBondContact O-CG 3.43Å; K823-R826 WeakPolarHBondContact O-CB 3.26Å; K823-R826 PolarHBondContact O-N 3.28Å; K823-R826 VanDerWaalsContact O-N 3.17Å; L824-R826 VanDerWaalsContact C-N 3.31Å; L824-R826 PolarHBondContact O-N 2.97Å
827	F	92.4	Very high	93.1	Very high	108 Å²	108	45.9 Å²	45.9	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.1	173.9	-65.7	-64.8	0	0	0	113.9	K823 L824 K825 V829	K823-F827 WeakPolarHBondContact O-CD2 3.45Å; K823-F827 PolarHBondContact O-N 3.41Å; L824-F827 CarbonylContact O-C 3.57Å; L824-F827 WeakPolarHBondContact O-CA 3.34Å; L824-F827 PolarHBondContact O-N 2.94Å; K825-F827 VanDerWaalsContact C-N 3.26Å; K825-F827 PolarHBondContact O-N 2.69Å; F827-V829 HydrophobicContact CB-CG2 4.24Å; F827-V829 PolarHBondContact O-N 2.77Å
828	R	93.8	Very high	92.1	Very high	240 Å²	240	50.3 Å²	50.3	91%	0.906	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.7	-179.4	-55.4	-177	-179.2	-179.3	-0.2	114.4	L824 K825	L824-R828 PolarHBondContact O-N 2.85Å; K825-R828 PolarHBondContact O-N 2.94Å
829	V	94.6	Very high	91.3	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.097	25%	0.249	C	C	.	.			trans	-79.9	132.2	171.9	-176.8	0	0	0	0	109.2	R798 H801 L824 F827 F831 V872	R798-V829 HydrophobicContact CG-CG2 3.72Å; H801-V829 HydrophobicContact CB-CG1 4.48Å; H801-V829 VanDerWaalsContact CD2-CG1 3.49Å; H801-V829 WeakPolarHBondContact CD2-CG1 3.3Å; L824-V829 HydrophobicContact CB-CB 4.25Å; L824-V829 HydrophobicContact CD2-CB 4.12Å; L824-V829 HydrophobicContact CD2-CG1 4.27Å; L824-V829 HydrophobicContact CD2-CG2 4.01Å; L824-V829 PolarHBondContact O-N 3.11Å; F827-V829 HydrophobicContact CB-CG2 4.24Å; F827-V829 PolarHBondContact O-N 2.77Å; V829-F831 VanDerWaalsContact O-CD1 3.28Å; V829-F831 WeakPolarHBondContact O-CD1 3.47Å; V829-V872 HydrophobicContact CG1-CG2 4.47Å
830	G	95.3	Very high	90.9	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	23%	0.231	C	C	.	.			trans	-74.2	141.6	174	0	0	0	0	0	112.4	E870	G830-E870 WeakPolarHBondContact CA-OE2 3.48Å
831	F	97.4	Very high	90.4	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	25%	0.247	C	C	.	.			trans	-159.2	149.8	176.4	55.6	-97.2	0	0	0	112.2	L821 L824 K825 V829 I844 Y847 E870 V872	L821-F831 HydrophobicContact CB-CE1 4.48Å; L821-F831 HydrophobicContact CB-CE2 3.91Å; L821-F831 HydrophobicContact CB-CZ 3.88Å; L821-F831 HydrophobicContact CD1-CD2 4.14Å; L821-F831 HydrophobicContact CD1-CE2 3.98Å; L821-F831 HydrophobicContact CD2-CB 4.28Å; L821-F831 HydrophobicContact CD2-CD1 4.09Å; L821-F831 HydrophobicContact CD2-CD2 3.58Å; L821-F831 HydrophobicContact CD2-CE1 4.31Å; L821-F831 HydrophobicContact CD2-CE2 3.83Å; L821-F831 HydrophobicContact CD2-CG 3.72Å; L821-F831 HydrophobicContact CD2-CZ 4.2Å; L821-F831 HydrophobicContact CG-CD2 4.29Å; L821-F831 HydrophobicContact CG-CE2 4.11Å; L821-F831 HydrophobicContact CG-CZ 4.49Å; L824-F831 HydrophobicContact CB-CD1 4.15Å; L824-F831 HydrophobicContact CB-CE1 4.02Å; K825-F831 HydrophobicContact CB-CE1 4.3Å; K825-F831 HydrophobicContact CB-CZ 4.31Å; V829-F831 VanDerWaalsContact O-CD1 3.28Å; V829-F831 WeakPolarHBondContact O-CD1 3.47Å; F831-I844 HydrophobicContact CE2-CG2 4.38Å; F831-I844 HydrophobicContact CZ-CD1 4.19Å; F831-Y847 HydrophobicContact CD2-CD1 4.18Å; F831-Y847 HydrophobicContact CD2-CG 4.24Å; F831-Y847 HydrophobicContact CE1-CD1 4.35Å; F831-Y847 HydrophobicContact CE1-CE1 4.5Å; F831-Y847 VanDerWaalsContact CE2-CB 3.46Å; F831-Y847 AromaticContact CE2-CD1 3.7Å; F831-Y847 HydrophobicContact CE2-CD1 3.7Å; F831-Y847 HydrophobicContact CE2-CD2 4.17Å; F831-Y847 AromaticContact CE2-CG 3.5Å; F831-Y847 HydrophobicContact CE2-CG 3.5Å; F831-Y847 AromaticContact CZ-CD1 3.79Å; F831-Y847 HydrophobicContact CZ-CD1 3.79Å; F831-Y847 HydrophobicContact CZ-CD2 4.2Å; F831-Y847 HydrophobicContact CZ-CE1 4.17Å; F831-Y847 AromaticContact CZ-CG 3.83Å; F831-Y847 HydrophobicContact CZ-CG 3.83Å; F831-E870 PolarHBondContact N-OE2 3.29Å; F831-V872 VanDerWaalsContact CA-O 3.28Å; F831-V872 WeakPolarHBondContact CA-O 3.25Å; F831-V872 HydrophobicContact CB-CB 3.94Å; F831-V872 HydrophobicContact CB-CG1 4Å
832	L	96.7	Very high	89.9	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	170.5	-180	64	0	0	0	110.1	L834 E849 L866 Y867 E870 V872 V873 A874 I884	L832-L834 HydrophobicContact CD2-CD2 3.96Å; L832-L834 HydrophobicContact CG-CD2 4.04Å; L832-E849 HydrophobicContact CD1-CB 4.01Å; L832-L866 HydrophobicContact CD1-CD1 4.21Å; L832-Y867 HydrophobicContact CD2-CD1 4.29Å; L832-E870 HydrophobicContact CB-CB 4.16Å; L832-E870 HydrophobicContact CB-CG 4.19Å; L832-V872 PolarHBondContact N-O 2.67Å; L832-V873 HydrophobicContact CB-CG2 4.49Å; L832-V873 WeakPolarHBondContact O-CA 3.33Å; L832-A874 PolarHBondContact O-N 3.19Å; L832-I884 HydrophobicContact CD2-CD1 4.36Å
833	R	96.9	Very high	89.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.3	174.5	179.1	52.6	155.9	119.9	-5.4	110.6	H814 D818 L821 V840 I844 Y847 T848 E849 A874	H814-R833 PolarHBondContact ND1-NH2 2.94Å; H814-R833 PolarHBondContact O-NH2 3.34Å; D818-R833 IonicContact OD1-CZ 2.68Å; D818-R833 IonicContact OD1-NE 3.17Å; D818-R833 PolarHBondContact OD1-NE 3.14Å; D818-R833 IonicContact OD1-NH2 2.73Å; D818-R833 PolarHBondContact OD1-NH2 2.91Å; D818-R833 IonicContact OD2-NH2 2.72Å; L821-R833 HydrophobicContact CD1-CB 4.14Å; L821-R833 HydrophobicContact CD1-CG 4.12Å; R833-V840 HydrophobicContact CG-CG1 4.16Å; R833-V840 HydrophobicContact CG-CG2 4.21Å; R833-I844 HydrophobicContact CB-CG2 4.27Å; R833-I844 HydrophobicContact CG-CG2 4.11Å; R833-Y847 PolarHBondContact N-O 3.38Å; R833-T848 HydrophobicContact CB-CG2 4.28Å; R833-T848 HydrophobicContact CG-CG2 4.07Å; R833-T848 VanDerWaalsContact O-CA 3.28Å; R833-T848 WeakPolarHBondContact O-CA 3.2Å; R833-E849 PolarHBondContact O-N 3.22Å; R833-A874 VanDerWaalsContact CD-O 3.3Å; R833-A874 WeakPolarHBondContact CD-O 3.34Å
834	L	94.4	Very high	89.6	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-92	154.5	174.5	-49.6	178.7	0	0	0	111.1	L832 E849 V873 A874 H882 I884 F885	L832-L834 HydrophobicContact CD2-CD2 3.96Å; L832-L834 HydrophobicContact CG-CD2 4.04Å; L834-E849 HydrophobicContact CD2-CB 4.24Å; L834-V873 HydrophobicContact CD1-CG1 3.62Å; L834-V873 HydrophobicContact CD2-CG1 4.37Å; L834-V873 HydrophobicContact CG-CG1 3.86Å; L834-A874 PolarHBondContact N-O 3.13Å; L834-H882 HydrophobicContact CD1-CB 4.2Å; L834-I884 HydrophobicContact CD1-CG2 3.82Å; L834-F885 HydrophobicContact CD1-CE2 3.72Å; L834-F885 HydrophobicContact CD1-CZ 3.82Å
835	G	86.3	Confident	89.3	Confident	33 Å²	33	61 Å²	61	34%	0.34	29%	0.292	S	S	.	.	S	Bend	trans	106.1	164.8	176.9	0	0	0	0	0	114	G837	G835-G837 PolarHBondContact O-N 2.84Å
836	Q	79.7	Confident	89.1	Confident	103 Å²	103	62.1 Å²	62.1	48%	0.481	30%	0.304	S	S	.	.			trans	-60.4	126.6	-175.1	-66.1	170.1	-33	0	0	111.9	Q838 K839	Q836-Q838 PolarHBondContact O-N 3.16Å; Q836-K839 PolarHBondContact O-N 3.06Å
837	G	76.1	Confident	89	Confident	8 Å²	8	56.2 Å²	56.2	8%	0.082	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-57.2	-35	-177.5	0	0	0	0	0	113.4	G835 K839 V840 L845 E850	G835-G837 PolarHBondContact O-N 2.84Å; G837-K839 PolarHBondContact O-N 2.94Å; G837-V840 PolarHBondContact O-N 3.31Å; G837-L845 WeakPolarHBondContact O-CD2 3.22Å; G837-E850 PolarHBondContact N-OE2 2.62Å
838	Q	72.6	Confident	89	Confident	94 Å²	94	51.1 Å²	51.1	44%	0.439	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-54	-22.8	175.6	-62.9	-177.4	-5.2	0	0	114.5	Q836	Q836-Q838 PolarHBondContact O-N 3.16Å
839	K	76.6	Confident	88.8	Confident	73 Å²	73	40 Å²	40	32%	0.317	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-107.4	7	-178.3	-65.8	167.4	-177.7	160	0	112.8	Y670 H814 Q836 G837	Y670-K839 PolarHBondContact OH-NZ 3.03Å; H814-K839 WeakPolarHBondContact CB-O 3.37Å; H814-K839 VanDerWaalsContact CG-O 3.26Å; H814-K839 PolarHBondContact ND1-O 3.17Å; H814-K839 VanDerWaalsContact ND1-O 3.08Å; Q836-K839 PolarHBondContact O-N 3.06Å; G837-K839 PolarHBondContact O-N 2.94Å
840	V	85.1	Confident	88.3	Confident	11 Å²	11	41.7 Å²	41.7	7%	0.067	23%	0.225	C	C	.	.	S	Bend	trans	-110	142.7	-177.3	173.1	0	0	0	0	110.1	D818 R833 G837 I844 L845 T848	D818-V840 WeakPolarHBondContact OD2-CA 3.45Å; R833-V840 HydrophobicContact CG-CG1 4.16Å; R833-V840 HydrophobicContact CG-CG2 4.21Å; G837-V840 PolarHBondContact O-N 3.31Å; V840-I844 HydrophobicContact CG1-CB 3.85Å; V840-I844 HydrophobicContact CG1-CG2 3.7Å; V840-L845 HydrophobicContact CB-CD2 4.07Å; V840-L845 HydrophobicContact CG1-CD2 4.29Å; V840-T848 HydrophobicContact CB-CG2 4.19Å; V840-T848 HydrophobicContact CG1-CG2 3.82Å; V840-T848 HydrophobicContact CG2-CG2 4.19Å
841	H	85.9	Confident	87.8	Confident	74 Å²	74	42.3 Å²	42.3	34%	0.343	23%	0.226	S	C	.	.			trans	-56.5	135.6	-179.8	-174.6	-89.3	0	0	0	112.1	D818 E843 I844 L845	D818-H841 HydrophobicContact CB-CB 3.83Å; D818-H841 PolarHBondContact OD2-N 3.47Å; H841-E843 VanDerWaalsContact C-N 3.34Å; H841-E843 PolarHBondContact ND1-N 3.04Å; H841-E843 PolarHBondContact O-N 2.97Å; H841-E843 VanDerWaalsContact O-N 3.14Å; H841-I844 HydrophobicContact CB-CB 4.47Å; H841-I844 HydrophobicContact CB-CG1 4.26Å; H841-I844 WeakPolarHBondContact O-CA 3.44Å; H841-I844 WeakPolarHBondContact O-CB 3.4Å; H841-I844 PolarHBondContact O-N 2.83Å; H841-L845 PolarHBondContact O-N 2.73Å
842	P	86.4	Confident	87.1	Confident	96 Å²	96	44.8 Å²	44.8	62%	0.623	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-51.1	-44.2	-172.4	-31.9	36.7	0	0	0	115.4	I844 L845	P842-I844 PolarHBondContact O-N 3Å; P842-L845 WeakPolarHBondContact O-CB 3.28Å; P842-L845 WeakPolarHBondContact O-CG 3.45Å; P842-L845 PolarHBondContact O-N 3.34Å
843	E	91.2	Very high	86.2	Confident	90 Å²	90	46.4 Å²	46.4	42%	0.421	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.2	-14.4	177	-90.3	-157.9	-99.8	0	0	115.4	L822 K825 H841	L822-E843 HydrophobicContact CD2-CB 3.65Å; L822-E843 HydrophobicContact CD2-CG 4.43Å; K825-E843 PolarHBondContact NZ-O 2.65Å; K825-E843 IonicContact NZ-OE2 2.78Å; K825-E843 PolarHBondContact NZ-OE2 3.43Å; H841-E843 VanDerWaalsContact C-N 3.34Å; H841-E843 PolarHBondContact ND1-N 3.04Å; H841-E843 PolarHBondContact O-N 2.97Å; H841-E843 VanDerWaalsContact O-N 3.14Å
844	I	93.9	Very high	85	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-102.6	-15.5	-179	-58.8	-56.5	0	0	0	111.3	D818 L821 L822 K825 F831 R833 V840 H841 P842 P846 Y847	D818-I844 HydrophobicContact CB-CG1 4.46Å; L821-I844 HydrophobicContact CB-CD1 3.83Å; L821-I844 HydrophobicContact CB-CG1 4.29Å; L821-I844 HydrophobicContact CB-CG2 4.4Å; L821-I844 HydrophobicContact CD1-CG2 3.83Å; L822-I844 HydrophobicContact CD2-CD1 3.78Å; L822-I844 HydrophobicContact CD2-CG1 3.94Å; L822-I844 HydrophobicContact CG-CD1 3.97Å; L822-I844 HydrophobicContact CG-CG1 4.01Å; K825-I844 HydrophobicContact CD-CD1 4.36Å; F831-I844 HydrophobicContact CE2-CG2 4.38Å; F831-I844 HydrophobicContact CZ-CD1 4.19Å; R833-I844 HydrophobicContact CB-CG2 4.27Å; R833-I844 HydrophobicContact CG-CG2 4.11Å; V840-I844 HydrophobicContact CG1-CB 3.85Å; V840-I844 HydrophobicContact CG1-CG2 3.7Å; H841-I844 HydrophobicContact CB-CB 4.47Å; H841-I844 HydrophobicContact CB-CG1 4.26Å; H841-I844 WeakPolarHBondContact O-CA 3.44Å; H841-I844 WeakPolarHBondContact O-CB 3.4Å; H841-I844 PolarHBondContact O-N 2.83Å; P842-I844 PolarHBondContact O-N 3Å; I844-P846 VanDerWaalsContact C-N 3.31Å; I844-P846 VanDerWaalsContact O-N 3.17Å; I844-Y847 WeakPolarHBondContact O-CB 3.46Å; I844-Y847 PolarHBondContact O-N 3.19Å
845	L	89.8	Confident	83.6	Confident	58 Å²	58	59.6 Å²	59.6	30%	0.304	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-47.4	-43	175.6	-63.1	175	0	0	0	114.1	G837 V840 H841 P842 Y847 T848 S851	G837-L845 WeakPolarHBondContact O-CD2 3.22Å; V840-L845 HydrophobicContact CB-CD2 4.07Å; V840-L845 HydrophobicContact CG1-CD2 4.29Å; H841-L845 PolarHBondContact O-N 2.73Å; P842-L845 WeakPolarHBondContact O-CB 3.28Å; P842-L845 WeakPolarHBondContact O-CG 3.45Å; P842-L845 PolarHBondContact O-N 3.34Å; L845-Y847 PolarHBondContact O-N 2.98Å; L845-Y847 VanDerWaalsContact O-N 3.09Å; L845-T848 WeakPolarHBondContact O-CB 3.21Å; L845-T848 WeakPolarHBondContact O-CG2 3.35Å; L845-T848 PolarHBondContact O-N 3.28Å; L845-T848 PolarHBondContact O-OG1 3.03Å; L845-S851 WeakPolarHBondContact O-CB 3.26Å; L845-S851 PolarHBondContact O-OG 3.08Å; L845-S851 VanDerWaalsContact O-OG 3.1Å
846	P	91.6	Very high	82.7	Confident	77 Å²	77	63.7 Å²	63.7	50%	0.5	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.8	-20.3	178.9	-23.9	35.9	0	0	0	114.7	I844 M852	I844-P846 VanDerWaalsContact C-N 3.31Å; I844-P846 VanDerWaalsContact O-N 3.17Å; P846-M852 VanDerWaalsContact O-CE 3.26Å; P846-M852 WeakPolarHBondContact O-CE 3.37Å
847	Y	93.1	Very high	82.8	Confident	70 Å²	70	59.2 Å²	59.2	28%	0.275	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-94.7	1.1	178.4	-57	-96.4	0	0	0	112.3	K825 F831 R833 I844 L845	K825-Y847 HydrophobicContact CD-CE2 4Å; K825-Y847 HydrophobicContact CG-CE2 4.34Å; F831-Y847 HydrophobicContact CD2-CD1 4.18Å; F831-Y847 HydrophobicContact CD2-CG 4.24Å; F831-Y847 HydrophobicContact CE1-CD1 4.35Å; F831-Y847 HydrophobicContact CE1-CE1 4.5Å; F831-Y847 VanDerWaalsContact CE2-CB 3.46Å; F831-Y847 AromaticContact CE2-CD1 3.7Å; F831-Y847 HydrophobicContact CE2-CD1 3.7Å; F831-Y847 HydrophobicContact CE2-CD2 4.17Å; F831-Y847 AromaticContact CE2-CG 3.5Å; F831-Y847 HydrophobicContact CE2-CG 3.5Å; F831-Y847 AromaticContact CZ-CD1 3.79Å; F831-Y847 HydrophobicContact CZ-CD1 3.79Å; F831-Y847 HydrophobicContact CZ-CD2 4.2Å; F831-Y847 HydrophobicContact CZ-CE1 4.17Å; F831-Y847 AromaticContact CZ-CG 3.83Å; F831-Y847 HydrophobicContact CZ-CG 3.83Å; R833-Y847 PolarHBondContact N-O 3.38Å; I844-Y847 WeakPolarHBondContact O-CB 3.46Å; I844-Y847 PolarHBondContact O-N 3.19Å; L845-Y847 PolarHBondContact O-N 2.98Å; L845-Y847 VanDerWaalsContact O-N 3.09Å
848	T	92.1	Very high	83.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-75.8	140.9	176.4	62.2	0	0	0	0	111.2	R833 V840 L845 E850 S851 M852	R833-T848 HydrophobicContact CB-CG2 4.28Å; R833-T848 HydrophobicContact CG-CG2 4.07Å; R833-T848 VanDerWaalsContact O-CA 3.28Å; R833-T848 WeakPolarHBondContact O-CA 3.2Å; V840-T848 HydrophobicContact CB-CG2 4.19Å; V840-T848 HydrophobicContact CG1-CG2 3.82Å; V840-T848 HydrophobicContact CG2-CG2 4.19Å; L845-T848 WeakPolarHBondContact O-CB 3.21Å; L845-T848 WeakPolarHBondContact O-CG2 3.35Å; L845-T848 PolarHBondContact O-N 3.28Å; L845-T848 PolarHBondContact O-OG1 3.03Å; T848-E850 PolarHBondContact O-N 3.02Å; T848-S851 PolarHBondContact O-N 3.08Å; T848-S851 VanDerWaalsContact OG1-CB 3.28Å; T848-S851 WeakPolarHBondContact OG1-CB 3.38Å; T848-S851 PolarHBondContact OG1-N 3.26Å; T848-S851 PolarHBondContact OG1-OG 3.28Å; T848-M852 WeakPolarHBondContact O-CG 3.4Å; T848-M852 PolarHBondContact O-N 2.98Å
849	E	88.8	Confident	84	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-53.3	-36.4	170	-173.5	-141	-159.9	0	0	111.9	L832 R833 L834 S851 R853 L866 Y867 H882	L832-E849 HydrophobicContact CD1-CB 4.01Å; R833-E849 PolarHBondContact O-N 3.22Å; L834-E849 HydrophobicContact CD2-CB 4.24Å; E849-S851 PolarHBondContact O-N 3.12Å; E849-R853 HydrophobicContact CG-CG 4.44Å; E849-R853 VanDerWaalsContact O-CB 3.31Å; E849-R853 WeakPolarHBondContact O-CB 3.43Å; E849-R853 VanDerWaalsContact O-CG 3.26Å; E849-R853 WeakPolarHBondContact O-CG 3.45Å; E849-R853 PolarHBondContact O-N 3.48Å; E849-R853 IonicContact OE1-CZ 3.48Å; E849-R853 IonicContact OE1-NE 2.71Å; E849-R853 PolarHBondContact OE1-NE 3.28Å; E849-R853 IonicContact OE1-NH1 3.1Å; E849-R853 IonicContact OE1-NH2 3.25Å; E849-R853 PolarHBondContact OE1-NH2 3.12Å; E849-R853 VanDerWaalsContact OE1-NH2 3.16Å; E849-R853 IonicContact OE2-CZ 3.87Å; E849-R853 IonicContact OE2-NE 3.19Å; E849-R853 IonicContact OE2-NH2 3.45Å; E849-R853 PolarHBondContact OE2-NH2 2.92Å; E849-L866 HydrophobicContact CG-CD2 4.33Å; E849-Y867 HydrophobicContact CG-CE1 4.12Å; E849-Y867 WeakPolarHBondContact OE1-CE1 3.35Å; E849-Y867 PolarHBondContact OE1-OH 3.08Å; E849-H882 IonicContact OE1-CE1 3.74Å; E849-H882 PolarHBondContact OE1-CE1 2.98Å; E849-H882 IonicContact OE1-NE2 3.61Å; E849-H882 PolarHBondContact OE1-NE2 3.48Å; E849-H882 IonicContact OE2-CD2 3.45Å; E849-H882 IonicContact OE2-NE2 2.99Å; E849-H882 PolarHBondContact OE2-NE2 3.27Å
850	E	84.8	Confident	84.7	Confident	51 Å²	51	58.2 Å²	58.2	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-42.4	174.7	-168.6	-167.5	139.1	0	0	112.4	G837 T848 R854	G837-E850 PolarHBondContact N-OE2 2.62Å; T848-E850 PolarHBondContact O-N 3.02Å; E850-R854 WeakPolarHBondContact O-CG 3.25Å; E850-R854 PolarHBondContact O-N 3.14Å; E850-R854 IonicContact OE1-CZ 3.92Å; E850-R854 IonicContact OE1-NH1 2.67Å; E850-R854 PolarHBondContact OE1-NH1 3.2Å; E850-R854 IonicContact OE1-NH2 2.71Å; E850-R854 PolarHBondContact OE1-NH2 3.4Å
851	S	84.2	Confident	85	Confident	34 Å²	34	61.7 Å²	61.7	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-81.1	-29.6	-177.9	-65	0	0	0	0	113.7	L845 T848 E849	L845-S851 WeakPolarHBondContact O-CB 3.26Å; L845-S851 PolarHBondContact O-OG 3.08Å; L845-S851 VanDerWaalsContact O-OG 3.1Å; T848-S851 PolarHBondContact O-N 3.08Å; T848-S851 VanDerWaalsContact OG1-CB 3.28Å; T848-S851 WeakPolarHBondContact OG1-CB 3.38Å; T848-S851 PolarHBondContact OG1-N 3.26Å; T848-S851 PolarHBondContact OG1-OG 3.28Å; E849-S851 PolarHBondContact O-N 3.12Å
852	M	83.3	Confident	85.3	Confident	55 Å²	55	61.4 Å²	61.4	27%	0.271	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-45.2	172.2	-67.1	-63.8	-166.3	0	0	111.1	P846 T848 R854 K855 L866	P846-M852 VanDerWaalsContact O-CE 3.26Å; P846-M852 WeakPolarHBondContact O-CE 3.37Å; T848-M852 WeakPolarHBondContact O-CG 3.4Å; T848-M852 PolarHBondContact O-N 2.98Å; M852-R854 VanDerWaalsContact C-N 3.35Å; M852-R854 PolarHBondContact O-N 3.25Å; M852-K855 PolarHBondContact O-N 2.67Å; M852-L866 HydrophobicContact CB-CD1 3.94Å; M852-L866 HydrophobicContact CB-CD2 4.09Å; M852-L866 HydrophobicContact CG-CD1 4.23Å
853	R	77.3	Confident	85.6	Confident	38 Å²	38	56.9 Å²	56.9	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-39	-179.6	-75.2	-168.5	-70.3	176.6	-6.5	113.1	H328 E849 K855 V857 L863 L866	H328-R853 PolarHBondContact O-NH1 2.92Å; E849-R853 HydrophobicContact CG-CG 4.44Å; E849-R853 VanDerWaalsContact O-CB 3.31Å; E849-R853 WeakPolarHBondContact O-CB 3.43Å; E849-R853 VanDerWaalsContact O-CG 3.26Å; E849-R853 WeakPolarHBondContact O-CG 3.45Å; E849-R853 PolarHBondContact O-N 3.48Å; E849-R853 IonicContact OE1-CZ 3.48Å; E849-R853 IonicContact OE1-NE 2.71Å; E849-R853 PolarHBondContact OE1-NE 3.28Å; E849-R853 IonicContact OE1-NH1 3.1Å; E849-R853 IonicContact OE1-NH2 3.25Å; E849-R853 PolarHBondContact OE1-NH2 3.12Å; E849-R853 VanDerWaalsContact OE1-NH2 3.16Å; E849-R853 IonicContact OE2-CZ 3.87Å; E849-R853 IonicContact OE2-NE 3.19Å; E849-R853 IonicContact OE2-NH2 3.45Å; E849-R853 PolarHBondContact OE2-NH2 2.92Å; R853-K855 PolarHBondContact O-N 2.8Å; R853-V857 HydrophobicContact CB-CB 4.46Å; R853-V857 HydrophobicContact CG-CB 4.23Å; R853-V857 HydrophobicContact CG-CG1 4.39Å; R853-V857 HydrophobicContact CG-CG2 4.33Å; R853-L863 HydrophobicContact CG-CD1 4.3Å; R853-L866 HydrophobicContact CG-CD2 3.77Å
854	R	71.2	Confident	85.6	Confident	122 Å²	122	56.2 Å²	56.2	46%	0.46	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-7.8	176.8	-82.1	-163.6	-172.2	104.2	7.6	115.9	E850 M852	E850-R854 WeakPolarHBondContact O-CG 3.25Å; E850-R854 PolarHBondContact O-N 3.14Å; E850-R854 IonicContact OE1-CZ 3.92Å; E850-R854 IonicContact OE1-NH1 2.67Å; E850-R854 PolarHBondContact OE1-NH1 3.2Å; E850-R854 IonicContact OE1-NH2 2.71Å; E850-R854 PolarHBondContact OE1-NH2 3.4Å; M852-R854 VanDerWaalsContact C-N 3.35Å; M852-R854 PolarHBondContact O-N 3.25Å
855	K	64.8	Low	85.5	Confident	157 Å²	157	62 Å²	62	68%	0.683	30%	0.304	S	S	*	.	H	α-helix	trans	-111.2	-50.5	-177.7	-67.1	-172.7	173.5	-168.8	0	113.5	M852 R853	M852-K855 PolarHBondContact O-N 2.67Å; R853-K855 PolarHBondContact O-N 2.8Å
856	D	67.6	Low	85.6	Confident	119 Å²	119	60 Å²	60	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-138.4	24.7	-159.1	-48.8	-71.7	0	0	0	113.7
857	V	81.8	Confident	85.7	Confident	8 Å²	8	56.6 Å²	56.6	5%	0.048	27%	0.271	C	S	.	.			trans	-138.1	108.6	-177.2	-177	0	0	0	0	112.3	H328 R853 E862 L863 L866	H328-V857 PolarHBondContact CD2-O 2.84Å; H328-V857 VanDerWaalsContact CD2-O 3.31Å; R853-V857 HydrophobicContact CB-CB 4.46Å; R853-V857 HydrophobicContact CG-CB 4.23Å; R853-V857 HydrophobicContact CG-CG1 4.39Å; R853-V857 HydrophobicContact CG-CG2 4.33Å; V857-E862 HydrophobicContact CB-CB 4.34Å; V857-E862 HydrophobicContact CG1-CB 3.96Å; V857-E862 HydrophobicContact CG2-CB 4.33Å; V857-L863 HydrophobicContact CG1-CB 3.96Å; V857-L863 HydrophobicContact CG1-CD1 4.29Å; V857-L866 HydrophobicContact CG2-CD2 4.22Å
858	H	84.3	Confident	85.7	Confident	94 Å²	94	57.2 Å²	57.2	44%	0.435	29%	0.286	S	S	.	.			trans	-129	-7.5	176.5	-60.4	-38.3	0	0	0	113.8	E862	H858-E862 PolarHBondContact N-OE2 2.86Å
859	T	90.9	Very high	85.7	Confident	49 Å²	49	63.7 Å²	63.7	30%	0.301	31%	0.314	S	S	.	.	S	Bend	trans	-117.7	158.8	178.1	66.4	0	0	0	0	112.2	T861 E862 L863	T859-T861 PolarHBondContact O-N 3.43Å; T859-E862 WeakPolarHBondContact CB-OE2 3.44Å; T859-E862 PolarHBondContact N-OE2 3.2Å; T859-E862 PolarHBondContact O-N 3.08Å; T859-E862 VanDerWaalsContact OG1-CG 3.28Å; T859-E862 WeakPolarHBondContact OG1-CG 3.2Å; T859-E862 PolarHBondContact OG1-N 3.41Å; T859-E862 VanDerWaalsContact OG1-N 3.17Å; T859-E862 PolarHBondContact OG1-OE2 3.48Å; T859-L863 PolarHBondContact O-N 3.13Å
860	L	91	Very high	86.1	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-32.4	173.4	-178.7	59.2	0	0	0	111.9	L331 M334 F335 V339 Q341 L863 Q864	L331-L860 HydrophobicContact CD2-CB 4.23Å; L331-L860 WeakPolarHBondContact O-CD1 3.24Å; M334-L860 HydrophobicContact CB-CD1 4.04Å; M334-L860 HydrophobicContact CB-CD2 4.2Å; F335-L860 HydrophobicContact CB-CD1 3.94Å; V339-L860 VanDerWaalsContact O-CD2 3.3Å; V339-L860 WeakPolarHBondContact O-CD2 3.46Å; Q341-L860 HydrophobicContact CB-CB 4.35Å; L860-L863 PolarHBondContact O-N 3.46Å; L860-Q864 VanDerWaalsContact O-CG 3.3Å; L860-Q864 WeakPolarHBondContact O-CG 3.41Å; L860-Q864 PolarHBondContact O-N 3.09Å
861	T	91.7	Very high	86.6	Confident	83 Å²	83	65.3 Å²	65.3	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-44.1	179.2	-58.3	0	0	0	0	112.2	T859 L863 Q864 Q865	T859-T861 PolarHBondContact O-N 3.43Å; T861-L863 VanDerWaalsContact C-N 3.29Å; T861-L863 PolarHBondContact O-N 3.5Å; T861-Q864 PolarHBondContact O-N 3.12Å; T861-Q865 WeakPolarHBondContact O-CG 3.5Å; T861-Q865 PolarHBondContact O-N 3.05Å
862	E	91.8	Very high	87.3	Confident	69 Å²	69	63.7 Å²	63.7	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-36.8	174.2	-69.9	152.6	163.2	0	0	111.3	V857 H858 T859 Q865 L866	V857-E862 HydrophobicContact CB-CB 4.34Å; V857-E862 HydrophobicContact CG1-CB 3.96Å; V857-E862 HydrophobicContact CG2-CB 4.33Å; H858-E862 PolarHBondContact N-OE2 2.86Å; T859-E862 WeakPolarHBondContact CB-OE2 3.44Å; T859-E862 PolarHBondContact N-OE2 3.2Å; T859-E862 PolarHBondContact O-N 3.08Å; T859-E862 VanDerWaalsContact OG1-CG 3.28Å; T859-E862 WeakPolarHBondContact OG1-CG 3.2Å; T859-E862 PolarHBondContact OG1-N 3.41Å; T859-E862 VanDerWaalsContact OG1-N 3.17Å; T859-E862 PolarHBondContact OG1-OE2 3.48Å; E862-Q865 PolarHBondContact O-N 3.26Å; E862-L866 PolarHBondContact O-N 2.89Å
863	L	91.8	Very high	88	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-66.5	-41.8	175.2	-172.4	62.5	0	0	0	112.1	L331 F335 R853 V857 T859 L860 T861 Q865 L866 Y867	L331-L863 VanDerWaalsContact C-CD2 3.43Å; L331-L863 HydrophobicContact CB-CD2 3.75Å; L331-L863 WeakPolarHBondContact O-CD2 3.26Å; F335-L863 HydrophobicContact CB-CD2 4.48Å; R853-L863 HydrophobicContact CG-CD1 4.3Å; V857-L863 HydrophobicContact CG1-CB 3.96Å; V857-L863 HydrophobicContact CG1-CD1 4.29Å; T859-L863 PolarHBondContact O-N 3.13Å; L860-L863 PolarHBondContact O-N 3.46Å; T861-L863 VanDerWaalsContact C-N 3.29Å; T861-L863 PolarHBondContact O-N 3.5Å; L863-Q865 VanDerWaalsContact C-N 3.32Å; L863-Q865 PolarHBondContact O-N 2.98Å; L863-L866 HydrophobicContact CD1-CD2 4.41Å; L863-L866 PolarHBondContact O-N 3.12Å; L863-Y867 HydrophobicContact CD1-CD1 4.18Å; L863-Y867 HydrophobicContact CD1-CE1 3.56Å; L863-Y867 HydrophobicContact CD1-CE2 4.16Å; L863-Y867 HydrophobicContact CD2-CE2 4.13Å; L863-Y867 HydrophobicContact CG-CD2 4.32Å; L863-Y867 HydrophobicContact CG-CE1 4.18Å; L863-Y867 HydrophobicContact CG-CE2 3.88Å; L863-Y867 WeakPolarHBondContact O-CB 3.29Å; L863-Y867 PolarHBondContact O-N 2.91Å
864	Q	92.1	Very high	89	Confident	76 Å²	76	59.3 Å²	59.3	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-43.6	172.6	-74.2	175.2	30.2	0	0	111.2	F335 L860 T861 Y867 S868	F335-Q864 HydrophobicContact CD2-CG 3.69Å; F335-Q864 HydrophobicContact CE2-CG 3.9Å; L860-Q864 VanDerWaalsContact O-CG 3.3Å; L860-Q864 WeakPolarHBondContact O-CG 3.41Å; L860-Q864 PolarHBondContact O-N 3.09Å; T861-Q864 PolarHBondContact O-N 3.12Å; Q864-Y867 PolarHBondContact O-N 2.81Å; Q864-S868 PolarHBondContact O-N 2.7Å; Q864-S868 PolarHBondContact O-OG 2.71Å
865	Q	92.2	Very high	90.3	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-61.5	-46.9	175.7	-70.3	174.8	16.6	0	0	111.8	T861 E862 L863 Y867 S868 K869	T861-Q865 WeakPolarHBondContact O-CG 3.5Å; T861-Q865 PolarHBondContact O-N 3.05Å; E862-Q865 PolarHBondContact O-N 3.26Å; L863-Q865 VanDerWaalsContact C-N 3.32Å; L863-Q865 PolarHBondContact O-N 2.98Å; Q865-Y867 VanDerWaalsContact C-N 3.31Å; Q865-Y867 PolarHBondContact O-N 2.93Å; Q865-S868 WeakPolarHBondContact CA-OG 3.35Å; Q865-S868 PolarHBondContact O-N 3.3Å; Q865-S868 PolarHBondContact O-OG 2.85Å; Q865-S868 VanDerWaalsContact O-OG 3.05Å; Q865-K869 VanDerWaalsContact O-CB 3.32Å; Q865-K869 WeakPolarHBondContact O-CB 3.39Å; Q865-K869 PolarHBondContact O-N 3.07Å
866	L	92.3	Very high	91.7	Very high	18 Å²	18	46.8 Å²	46.8	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-42.2	175.4	178.2	62.1	0	0	0	112	L832 E849 M852 R853 V857 E862 L863	L832-L866 HydrophobicContact CD1-CD1 4.21Å; E849-L866 HydrophobicContact CG-CD2 4.33Å; M852-L866 HydrophobicContact CB-CD1 3.94Å; M852-L866 HydrophobicContact CB-CD2 4.09Å; M852-L866 HydrophobicContact CG-CD1 4.23Å; R853-L866 HydrophobicContact CG-CD2 3.77Å; V857-L866 HydrophobicContact CG2-CD2 4.22Å; E862-L866 PolarHBondContact O-N 2.89Å; L863-L866 HydrophobicContact CD1-CD2 4.41Å; L863-L866 PolarHBondContact O-N 3.12Å
867	Y	93.7	Very high	93	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-73	-21.8	178.7	-71.7	-3.6	0	0	0	114.1	F335 L832 E849 L863 Q864 Q865 H882 P883 I884 R888	F335-Y867 HydrophobicContact CB-CE2 4.39Å; F335-Y867 AromaticContact CD1-CD2 3.89Å; F335-Y867 HydrophobicContact CD1-CD2 3.89Å; F335-Y867 AromaticContact CD1-CE2 3.79Å; F335-Y867 HydrophobicContact CD1-CE2 3.79Å; F335-Y867 AromaticContact CD2-CD2 3.81Å; F335-Y867 HydrophobicContact CD2-CD2 3.81Å; F335-Y867 HydrophobicContact CD2-CE2 4.19Å; F335-Y867 AromaticContact CE1-CD2 3.83Å; F335-Y867 HydrophobicContact CE1-CD2 3.83Å; F335-Y867 HydrophobicContact CE1-CE2 4.14Å; F335-Y867 AromaticContact CE2-CD2 3.73Å; F335-Y867 HydrophobicContact CE2-CD2 3.73Å; F335-Y867 HydrophobicContact CE2-CE2 4.49Å; F335-Y867 AromaticContact CG-CD2 3.9Å; F335-Y867 HydrophobicContact CG-CD2 3.9Å; F335-Y867 AromaticContact CG-CE2 3.84Å; F335-Y867 HydrophobicContact CG-CE2 3.84Å; F335-Y867 AromaticContact CZ-CD2 3.74Å; F335-Y867 HydrophobicContact CZ-CD2 3.74Å; F335-Y867 HydrophobicContact CZ-CE2 4.48Å; L832-Y867 HydrophobicContact CD2-CD1 4.29Å; E849-Y867 HydrophobicContact CG-CE1 4.12Å; E849-Y867 WeakPolarHBondContact OE1-CE1 3.35Å; E849-Y867 PolarHBondContact OE1-OH 3.08Å; L863-Y867 HydrophobicContact CD1-CD1 4.18Å; L863-Y867 HydrophobicContact CD1-CE1 3.56Å; L863-Y867 HydrophobicContact CD1-CE2 4.16Å; L863-Y867 HydrophobicContact CD2-CE2 4.13Å; L863-Y867 HydrophobicContact CG-CD2 4.32Å; L863-Y867 HydrophobicContact CG-CE1 4.18Å; L863-Y867 HydrophobicContact CG-CE2 3.88Å; L863-Y867 WeakPolarHBondContact O-CB 3.29Å; L863-Y867 PolarHBondContact O-N 2.91Å; Q864-Y867 PolarHBondContact O-N 2.81Å; Q865-Y867 VanDerWaalsContact C-N 3.31Å; Q865-Y867 PolarHBondContact O-N 2.93Å; Y867-H882 AromaticContact CD1-CE1 3.62Å; Y867-H882 AromaticContact CE1-CE1 2.75Å; Y867-H882 WeakPolarHBondContact CE1-CE1 3.26Å; Y867-H882 AromaticContact CE2-CE1 3.4Å; Y867-H882 VanDerWaalsContact CE2-CE1 3.4Å; Y867-H882 WeakPolarHBondContact CE2-CE1 3.5Å; Y867-H882 AromaticContact CZ-CE1 2.61Å; Y867-H882 PolarHBondContact OH-CE1 3.45Å; Y867-H882 PolarHBondContact OH-NE2 2.96Å; Y867-P883 HydrophobicContact CE2-CB 4.43Å; Y867-I884 HydrophobicContact CD1-CD1 4.24Å; Y867-I884 HydrophobicContact CD2-CB 4.29Å; Y867-I884 HydrophobicContact CD2-CG1 4.21Å; Y867-I884 HydrophobicContact CE2-CB 4.48Å; Y867-I884 HydrophobicContact CG-CB 4.45Å; Y867-I884 HydrophobicContact CG-CD1 4.04Å; Y867-I884 HydrophobicContact CG-CG1 4.07Å; Y867-R888 PolarHBondContact O-NH1 3.3Å
868	S	92	Very high	93.4	Very high	83 Å²	83	44.5 Å²	44.5	58%	0.58	23%	0.228	S	C	*	.	H	α-helix	trans	-94.7	-26.3	175.8	56.3	0	0	0	0	114.5	Q864 Q865 E870	Q864-S868 PolarHBondContact O-N 2.7Å; Q864-S868 PolarHBondContact O-OG 2.71Å; Q865-S868 WeakPolarHBondContact CA-OG 3.35Å; Q865-S868 PolarHBondContact O-N 3.3Å; Q865-S868 PolarHBondContact O-OG 2.85Å; Q865-S868 VanDerWaalsContact O-OG 3.05Å; S868-E870 PolarHBondContact O-N 2.81Å
869	K	92.9	Very high	93.6	Very high	137 Å²	137	41.1 Å²	41.1	60%	0.596	22%	0.219	S	C	*	.	H	α-helix	trans	-53.3	-48.7	-171.2	179	-174.6	176.8	-172.8	0	114.4	Q865	Q865-K869 VanDerWaalsContact O-CB 3.32Å; Q865-K869 WeakPolarHBondContact O-CB 3.39Å; Q865-K869 PolarHBondContact O-N 3.07Å
870	E	96.1	Very high	93.5	Very high	33 Å²	33	39.2 Å²	39.2	15%	0.154	21%	0.206	C	C	.	.			trans	-98.9	127.7	-170.5	-57	-63	159.4	0	0	111.1	G830 F831 L832 S868 V872 R888	G830-E870 WeakPolarHBondContact CA-OE2 3.48Å; F831-E870 PolarHBondContact N-OE2 3.29Å; L832-E870 HydrophobicContact CB-CB 4.16Å; L832-E870 HydrophobicContact CB-CG 4.19Å; S868-E870 PolarHBondContact O-N 2.81Å; E870-V872 VanDerWaalsContact C-N 3.28Å; E870-V872 PolarHBondContact O-N 3.1Å; E870-R888 PolarHBondContact O-NH1 3.04Å; E870-R888 PolarHBondContact O-NH2 3.01Å
871	L	96.8	Very high	93.3	Very high	60 Å²	60	42.1 Å²	42.1	31%	0.314	22%	0.219	S	C	.	.	S	Bend	trans	-65.9	-31.5	176.4	-72.1	179.1	0	0	0	112.7	S806 V807 R888	S806-L871 WeakPolarHBondContact CA-O 3.3Å; V807-L871 PolarHBondContact N-O 2.87Å; L871-R888 PolarHBondContact O-NH2 2.85Å; L871-R888 VanDerWaalsContact O-NH2 3.14Å
872	V	98.3	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.6	-179.9	-176.9	0	0	0	0	109.8	V797 V807 V829 F831 L832 E870	V797-V872 HydrophobicContact CG1-CG1 4.15Å; V797-V872 HydrophobicContact CG1-CG2 3.73Å; V807-V872 HydrophobicContact CB-CG2 4.39Å; V807-V872 WeakPolarHBondContact O-CA 3.34Å; V829-V872 HydrophobicContact CG1-CG2 4.47Å; F831-V872 VanDerWaalsContact CA-O 3.28Å; F831-V872 WeakPolarHBondContact CA-O 3.25Å; F831-V872 HydrophobicContact CB-CB 3.94Å; F831-V872 HydrophobicContact CB-CG1 4Å; L832-V872 PolarHBondContact N-O 2.67Å; E870-V872 VanDerWaalsContact C-N 3.28Å; E870-V872 PolarHBondContact O-N 3.1Å
873	V	98.3	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130	173.5	177.9	0	0	0	0	108.5	V807 L808 L809 L832 L834 I884 F890	V807-V873 PolarHBondContact O-N 2.99Å; L808-V873 WeakPolarHBondContact CA-O 3.32Å; L809-V873 PolarHBondContact N-O 3.01Å; L832-V873 HydrophobicContact CB-CG2 4.49Å; L832-V873 WeakPolarHBondContact O-CA 3.33Å; L834-V873 HydrophobicContact CD1-CG1 3.62Å; L834-V873 HydrophobicContact CD2-CG1 4.37Å; L834-V873 HydrophobicContact CG-CG1 3.86Å; V873-I884 HydrophobicContact CG1-CD1 4.42Å; V873-I884 HydrophobicContact CG2-CD1 4.14Å; V873-F890 HydrophobicContact CB-CE1 3.75Å; V873-F890 HydrophobicContact CB-CZ 3.77Å; V873-F890 HydrophobicContact CG1-CZ 4.32Å; V873-F890 HydrophobicContact CG2-CE1 3.72Å; V873-F890 HydrophobicContact CG2-CZ 3.82Å
874	A	98.1	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.5	-172.1	0	0	0	0	0	112.3	L809 V817 L821 L832 R833 L834	L809-A874 HydrophobicContact CB-CB 4.25Å; L809-A874 HydrophobicContact CD2-CB 4.45Å; L809-A874 VanDerWaalsContact O-CA 3.3Å; L809-A874 WeakPolarHBondContact O-CA 2.97Å; V817-A874 HydrophobicContact CG1-CB 3.9Å; L821-A874 HydrophobicContact CD1-CB 3.87Å; L821-A874 HydrophobicContact CD2-CB 3.81Å; L821-A874 HydrophobicContact CG-CB 4.26Å; L832-A874 PolarHBondContact O-N 3.19Å; R833-A874 VanDerWaalsContact CD-O 3.3Å; R833-A874 WeakPolarHBondContact CD-O 3.34Å; L834-A874 PolarHBondContact N-O 3.13Å
875	T	97.4	Very high	93.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	175.2	-178	-166.2	0	0	0	0	111.6	L808 L809 T810 V817 F885	L808-T875 HydrophobicContact CD1-CG2 4.11Å; L809-T875 PolarHBondContact O-N 3.41Å; T810-T875 VanDerWaalsContact CA-O 3.27Å; T810-T875 WeakPolarHBondContact CA-O 3.27Å; T810-T875 HydrophobicContact CG2-CG2 3.87Å; V817-T875 WeakPolarHBondContact CG2-O 3.41Å; T875-F885 HydrophobicContact CG2-CE2 4.17Å; T875-F885 HydrophobicContact CG2-CZ 3.78Å
876	T	95.1	Very high	93.2	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.08	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	160.4	167.4	58.7	0	0	0	0	110.6	S811 M878 G879	S811-T876 CarbonylContact O-C 3.58Å; S811-T876 VanDerWaalsContact O-CA 3.26Å; S811-T876 WeakPolarHBondContact O-CA 3.23Å; T876-M878 PolarHBondContact O-N 3.4Å; T876-M878 VanDerWaalsContact O-N 3.12Å; T876-G879 WeakPolarHBondContact O-CA 3.15Å; T876-G879 PolarHBondContact O-N 3.1Å
877	C	94.4	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.6	-23.7	178.8	-59.3	0	0	0	0	113.1	S811 I880 I905	S811-C877 VanDerWaalsContact C-SG 3.59Å; S811-C877 PolarHBondContact O-N 3.24Å; S811-C877 PolarHBondContact O-SG 3.15Å; S811-C877 VanDerWaalsContact O-SG 3.34Å; C877-I880 WeakPolarHBondContact O-CG2 3.27Å; C877-I905 HydrophobicContact CB-CG2 3.74Å
878	M	89.5	Confident	93	Very high	80 Å²	80	37.7 Å²	37.7	39%	0.394	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-79.8	-19	172.2	-62.4	-63.3	-69.8	0	0	113.3	T708 T876 I880 I905	T708-M878 HydrophobicContact CG2-CE 3.94Å; T708-M878 HydrophobicContact CG2-SD 4.08Å; T876-M878 PolarHBondContact O-N 3.4Å; T876-M878 VanDerWaalsContact O-N 3.12Å; M878-I880 PolarHBondContact O-N 3.09Å; M878-I905 HydrophobicContact SD-CD1 3.65Å; M878-I905 HydrophobicContact SD-CG1 4.18Å; M878-I905 HydrophobicContact SD-CG2 3.91Å
879	G	89.4	Confident	93.2	Very high	22 Å²	22	38.4 Å²	38.4	23%	0.227	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-79.1	7.1	-178.1	0	0	0	0	0	115.1	T876 K881 H882	T876-G879 WeakPolarHBondContact O-CA 3.15Å; T876-G879 PolarHBondContact O-N 3.1Å; G879-K881 PolarHBondContact O-N 3.44Å; G879-H882 WeakPolarHBondContact O-CB 3.34Å; G879-H882 PolarHBondContact O-N 3.48Å
880	I	88.4	Confident	93.4	Very high	9 Å²	9	32 Å²	32	5%	0.046	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-65.3	-11.7	178.1	59.6	169.6	0	0	0	114.7	N712 C877 M878 H882 F885 P909 Y912	N712-I880 WeakPolarHBondContact OD1-CD1 3.34Å; C877-I880 WeakPolarHBondContact O-CG2 3.27Å; M878-I880 PolarHBondContact O-N 3.09Å; I880-H882 PolarHBondContact O-N 3.1Å; I880-F885 WeakPolarHBondContact O-CD2 3.23Å; I880-P909 HydrophobicContact CG2-CB 4.06Å; I880-Y912 HydrophobicContact CB-CE2 4.01Å; I880-Y912 HydrophobicContact CG2-CE2 4.24Å; I880-Y912 PolarHBondContact O-OH 3.38Å
881	K	86.6	Confident	93.5	Very high	74 Å²	74	31.8 Å²	31.8	32%	0.322	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-77.7	5.7	175.7	-55.2	-167.2	179.7	-163.3	0	113.3	F286 T708 G879	F286-K881 HydrophobicContact CB-CD 4.29Å; T708-K881 WeakPolarHBondContact OG1-CE 3.33Å; T708-K881 PolarHBondContact OG1-NZ 3.48Å; G879-K881 PolarHBondContact O-N 3.44Å
882	H	91.1	Very high	93.6	Very high	29 Å²	29	28.9 Å²	28.9	13%	0.134	14%	0.137	C	C	.	.	S	Bend	trans	-75.7	138.6	179.7	-176.2	-84.6	0	0	0	111.9	L834 E849 Y867 G879 I880 I884 F885	L834-H882 HydrophobicContact CD1-CB 4.2Å; E849-H882 IonicContact OE1-CE1 3.74Å; E849-H882 PolarHBondContact OE1-CE1 2.98Å; E849-H882 IonicContact OE1-NE2 3.61Å; E849-H882 PolarHBondContact OE1-NE2 3.48Å; E849-H882 IonicContact OE2-CD2 3.45Å; E849-H882 IonicContact OE2-NE2 2.99Å; E849-H882 PolarHBondContact OE2-NE2 3.27Å; Y867-H882 AromaticContact CD1-CE1 3.62Å; Y867-H882 AromaticContact CE1-CE1 2.75Å; Y867-H882 WeakPolarHBondContact CE1-CE1 3.26Å; Y867-H882 AromaticContact CE2-CE1 3.4Å; Y867-H882 VanDerWaalsContact CE2-CE1 3.4Å; Y867-H882 WeakPolarHBondContact CE2-CE1 3.5Å; Y867-H882 AromaticContact CZ-CE1 2.61Å; Y867-H882 PolarHBondContact OH-CE1 3.45Å; Y867-H882 PolarHBondContact OH-NE2 2.96Å; G879-H882 WeakPolarHBondContact O-CB 3.34Å; G879-H882 PolarHBondContact O-N 3.48Å; I880-H882 PolarHBondContact O-N 3.1Å; H882-I884 WeakPolarHBondContact ND1-CB 3.33Å; H882-I884 VanDerWaalsContact ND1-CG2 3.25Å; H882-I884 WeakPolarHBondContact ND1-CG2 3.07Å; H882-I884 PolarHBondContact ND1-N 2.82Å; H882-I884 VanDerWaalsContact ND1-N 3.17Å; H882-I884 PolarHBondContact O-N 2.79Å; H882-F885 HydrophobicContact CB-CD2 3.91Å; H882-F885 HydrophobicContact CB-CE2 3.95Å; H882-F885 WeakPolarHBondContact O-CD2 3.09Å; H882-F885 PolarHBondContact O-N 2.6Å; H882-F885 VanDerWaalsContact O-N 3.12Å
883	P	90.6	Very high	93.6	Very high	17 Å²	17	28.9 Å²	28.9	11%	0.11	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-35.1	-177.5	-36.5	39.1	0	0	0	116.8	G332 F335 A336 Y867 F885 T886	G332-P883 VanDerWaalsContact O-CB 3.29Å; G332-P883 WeakPolarHBondContact O-CB 3.44Å; G332-P883 WeakPolarHBondContact O-CG 3.46Å; F335-P883 HydrophobicContact CD1-CB 4.14Å; F335-P883 WeakPolarHBondContact CE1-O 3.47Å; A336-P883 HydrophobicContact CB-CB 4.13Å; Y867-P883 HydrophobicContact CE2-CB 4.43Å; P883-F885 PolarHBondContact O-N 2.8Å; P883-T886 PolarHBondContact O-N 2.84Å; P883-T886 VanDerWaalsContact O-N 3.16Å; P883-T886 PolarHBondContact O-OG1 3.11Å
884	I	93.6	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-54.3	-32.8	-177.8	-160.9	170.3	0	0	0	112.6	L832 L834 Y867 V873 H882 T886 R888	L832-I884 HydrophobicContact CD2-CD1 4.36Å; L834-I884 HydrophobicContact CD1-CG2 3.82Å; Y867-I884 HydrophobicContact CD1-CD1 4.24Å; Y867-I884 HydrophobicContact CD2-CB 4.29Å; Y867-I884 HydrophobicContact CD2-CG1 4.21Å; Y867-I884 HydrophobicContact CE2-CB 4.48Å; Y867-I884 HydrophobicContact CG-CB 4.45Å; Y867-I884 HydrophobicContact CG-CD1 4.04Å; Y867-I884 HydrophobicContact CG-CG1 4.07Å; V873-I884 HydrophobicContact CG1-CD1 4.42Å; V873-I884 HydrophobicContact CG2-CD1 4.14Å; H882-I884 WeakPolarHBondContact ND1-CB 3.33Å; H882-I884 VanDerWaalsContact ND1-CG2 3.25Å; H882-I884 WeakPolarHBondContact ND1-CG2 3.07Å; H882-I884 PolarHBondContact ND1-N 2.82Å; H882-I884 VanDerWaalsContact ND1-N 3.17Å; H882-I884 PolarHBondContact O-N 2.79Å; I884-T886 VanDerWaalsContact C-N 3.32Å; I884-T886 PolarHBondContact O-N 2.95Å; I884-R888 HydrophobicContact CG1-CB 4Å; I884-R888 WeakPolarHBondContact O-CB 3.21Å; I884-R888 PolarHBondContact O-N 2.79Å
885	F	93.1	Very high	93.6	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-75.5	-17.3	-173.5	-66.7	-62.1	0	0	0	114.2	L808 L834 T875 I880 H882 P883 R889 F890 Y912	L808-F885 HydrophobicContact CD1-CE1 3.64Å; L808-F885 HydrophobicContact CD1-CZ 3.78Å; L808-F885 HydrophobicContact CD2-CD1 4.48Å; L808-F885 HydrophobicContact CD2-CE1 3.76Å; L808-F885 HydrophobicContact CG-CE1 4.34Å; L834-F885 HydrophobicContact CD1-CE2 3.72Å; L834-F885 HydrophobicContact CD1-CZ 3.82Å; T875-F885 HydrophobicContact CG2-CE2 4.17Å; T875-F885 HydrophobicContact CG2-CZ 3.78Å; I880-F885 WeakPolarHBondContact O-CD2 3.23Å; H882-F885 HydrophobicContact CB-CD2 3.91Å; H882-F885 HydrophobicContact CB-CE2 3.95Å; H882-F885 WeakPolarHBondContact O-CD2 3.09Å; H882-F885 PolarHBondContact O-N 2.6Å; H882-F885 VanDerWaalsContact O-N 3.12Å; P883-F885 PolarHBondContact O-N 2.8Å; F885-R889 PolarHBondContact O-NH1 2.85Å; F885-F890 HydrophobicContact CD1-CE2 4.11Å; F885-F890 AromaticContact CE1-CE2 3.86Å; F885-F890 HydrophobicContact CE1-CE2 3.86Å; F885-F890 HydrophobicContact CE1-CZ 4.39Å; F885-Y912 HydrophobicContact CB-CD1 3.85Å; F885-Y912 HydrophobicContact CB-CD2 4.42Å; F885-Y912 HydrophobicContact CB-CE1 3.53Å; F885-Y912 HydrophobicContact CB-CE2 4.15Å; F885-Y912 HydrophobicContact CB-CG 4.25Å; F885-Y912 HydrophobicContact CD1-CD1 4.3Å; F885-Y912 HydrophobicContact CD1-CD2 4.05Å; F885-Y912 HydrophobicContact CD1-CE2 4.45Å; F885-Y912 AromaticContact CD1-CG 3.92Å; F885-Y912 HydrophobicContact CD1-CG 3.92Å; F885-Y912 HydrophobicContact CG-CD2 4.39Å; F885-Y912 HydrophobicContact CG-CE1 4.45Å; F885-Y912 HydrophobicContact CG-CE2 4.34Å; F885-Y912 HydrophobicContact CG-CG 4.43Å; F885-Y912 WeakPolarHBondContact O-CD1 3.4Å; F885-Y912 WeakPolarHBondContact O-CE1 3.23Å
886	T	89.7	Confident	93.6	Very high	59 Å²	59	28.9 Å²	28.9	36%	0.362	14%	0.137	S	C	.	.	H	α-helix	trans	-62.9	-50	173.8	57.9	0	0	0	0	110.7	A336 P883 I884 R889	A336-T886 HydrophobicContact CB-CG2 4.02Å; P883-T886 PolarHBondContact O-N 2.84Å; P883-T886 VanDerWaalsContact O-N 3.16Å; P883-T886 PolarHBondContact O-OG1 3.11Å; I884-T886 VanDerWaalsContact C-N 3.32Å; I884-T886 PolarHBondContact O-N 2.95Å; T886-R889 PolarHBondContact O-NH1 3.22Å
887	R	89.1	Confident	93.6	Very high	135 Å²	135	29.3 Å²	29.3	51%	0.509	14%	0.138	S	C	.	.	H	α-helix	trans	-106.2	-24.3	-170.9	-63.6	174.4	77.9	179.7	6.6	114.7	F335	F335-R887 HydrophobicContact CE1-CB 4.03Å; F335-R887 HydrophobicContact CE1-CG 4.39Å; F335-R887 HydrophobicContact CZ-CB 3.95Å; F335-R887 WeakPolarHBondContact O-CD 3.26Å; F335-R887 PolarHBondContact O-NH1 3.19Å
888	R	93.4	Very high	93.7	Very high	37 Å²	37	29.3 Å²	29.3	14%	0.14	14%	0.138	C	C	.	.			trans	-87	144.8	175	-166	166.8	170.5	169.1	-6.1	111	Y867 E870 L871 I884 F890	Y867-R888 PolarHBondContact O-NH1 3.3Å; E870-R888 PolarHBondContact O-NH1 3.04Å; E870-R888 PolarHBondContact O-NH2 3.01Å; L871-R888 PolarHBondContact O-NH2 2.85Å; L871-R888 VanDerWaalsContact O-NH2 3.14Å; I884-R888 HydrophobicContact CG1-CB 4Å; I884-R888 WeakPolarHBondContact O-CB 3.21Å; I884-R888 PolarHBondContact O-N 2.79Å; R888-F890 HydrophobicContact CB-CE2 4.43Å; R888-F890 HydrophobicContact CG-CE1 4.43Å; R888-F890 HydrophobicContact CG-CE2 3.99Å; R888-F890 HydrophobicContact CG-CZ 3.91Å; R888-F890 VanDerWaalsContact NE-CE1 3.32Å
889	R	95.2	Very high	94	Very high	98 Å²	98	25.6 Å²	25.6	37%	0.37	12%	0.12	S	C	.	.			trans	-128.5	161.2	165.7	-70.8	-63.4	-171.7	-74.7	-4.1	108.9	D722 F885 T886 Y912	D722-R889 IonicContact OD2-CZ 2.66Å; D722-R889 IonicContact OD2-NE 2.27Å; D722-R889 PolarHBondContact OD2-NE 2.92Å; D722-R889 IonicContact OD2-NH2 1.9Å; D722-R889 PolarHBondContact OD2-NH2 2.9Å; F885-R889 PolarHBondContact O-NH1 2.85Å; T886-R889 PolarHBondContact O-NH1 3.22Å; R889-Y912 CarbonylContact C-O 3.59Å; R889-Y912 WeakPolarHBondContact CA-O 3.49Å; R889-Y912 WeakPolarHBondContact CD-O 3.43Å
890	F	98.1	Very high	94.1	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.9	-174	-62	-94.2	0	0	0	111.5	S806 L808 V873 F885 R888 Y912 A913 K914	S806-F890 WeakPolarHBondContact OG-CA 3.36Å; L808-F890 HydrophobicContact CB-CB 4.12Å; L808-F890 HydrophobicContact CB-CD1 3.96Å; L808-F890 HydrophobicContact CB-CD2 3.84Å; L808-F890 HydrophobicContact CB-CE1 4.31Å; L808-F890 HydrophobicContact CB-CE2 4.22Å; L808-F890 HydrophobicContact CB-CG 3.7Å; L808-F890 HydrophobicContact CB-CZ 4.44Å; L808-F890 HydrophobicContact CD2-CD2 4.2Å; L808-F890 HydrophobicContact CD2-CE2 4.4Å; V873-F890 HydrophobicContact CB-CE1 3.75Å; V873-F890 HydrophobicContact CB-CZ 3.77Å; V873-F890 HydrophobicContact CG1-CZ 4.32Å; V873-F890 HydrophobicContact CG2-CE1 3.72Å; V873-F890 HydrophobicContact CG2-CZ 3.82Å; F885-F890 HydrophobicContact CD1-CE2 4.11Å; F885-F890 AromaticContact CE1-CE2 3.86Å; F885-F890 HydrophobicContact CE1-CE2 3.86Å; F885-F890 HydrophobicContact CE1-CZ 4.39Å; R888-F890 HydrophobicContact CB-CE2 4.43Å; R888-F890 HydrophobicContact CG-CE1 4.43Å; R888-F890 HydrophobicContact CG-CE2 3.99Å; R888-F890 HydrophobicContact CG-CZ 3.91Å; R888-F890 VanDerWaalsContact NE-CE1 3.32Å; F890-Y912 PolarHBondContact N-O 3.15Å; F890-A913 HydrophobicContact CB-CB 4.2Å; F890-A913 VanDerWaalsContact O-CA 3.27Å; F890-A913 WeakPolarHBondContact O-CA 3.22Å; F890-K914 PolarHBondContact O-N 3.27Å
891	D	97.8	Very high	94.4	Very high	29 Å²	29	26 Å²	26	16%	0.155	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-29.2	176.7	-58.5	-66.5	0	0	0	112	F805 S806 K914 R915	F805-D891 HydrophobicContact CB-CB 4.19Å; F805-D891 HydrophobicContact CD1-CB 3.81Å; F805-D891 HydrophobicContact CG-CB 4.36Å; S806-D891 PolarHBondContact N-OD2 3.35Å; S806-D891 PolarHBondContact O-N 3.1Å; S806-D891 PolarHBondContact OG-N 3.45Å; S806-D891 PolarHBondContact OG-OD2 3.08Å; D891-K914 IonicContact OD1-NZ 2.68Å; D891-K914 PolarHBondContact OD1-NZ 2.74Å; D891-R915 WeakPolarHBondContact O-CB 3.49Å; D891-R915 PolarHBondContact O-N 3.4Å; D891-R915 PolarHBondContact O-NE 2.91Å
892	F	98.6	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.9	173.8	-71.4	-88.3	0	0	0	111.7	V772 L800 F805 S806 V807 L808 R915 V917	V772-F892 HydrophobicContact CG1-CD1 4.14Å; V772-F892 HydrophobicContact CG1-CE1 3.6Å; V772-F892 HydrophobicContact CG1-CZ 4.24Å; L800-F892 HydrophobicContact CD1-CB 4.03Å; L800-F892 HydrophobicContact CD1-CD1 4.35Å; L800-F892 HydrophobicContact CD1-CD2 3.79Å; L800-F892 HydrophobicContact CD1-CE2 4.27Å; L800-F892 HydrophobicContact CD1-CG 3.81Å; L800-F892 HydrophobicContact CD2-CD2 3.71Å; L800-F892 HydrophobicContact CD2-CE2 3.36Å; L800-F892 HydrophobicContact CD2-CG 4.41Å; L800-F892 HydrophobicContact CD2-CZ 3.8Å; L800-F892 HydrophobicContact CG-CD2 4.31Å; L800-F892 HydrophobicContact CG-CE2 4.41Å; F805-F892 HydrophobicContact CB-CD2 4.2Å; F805-F892 HydrophobicContact CB-CE2 4.38Å; F805-F892 HydrophobicContact CD1-CE2 4.4Å; F805-F892 AromaticContact CD2-CE2 3.89Å; F805-F892 HydrophobicContact CD2-CE2 3.89Å; F805-F892 HydrophobicContact CE2-CE2 4.26Å; F805-F892 HydrophobicContact CG-CD2 4.27Å; F805-F892 AromaticContact CG-CE2 3.98Å; F805-F892 HydrophobicContact CG-CE2 3.98Å; S806-F892 PolarHBondContact O-N 2.94Å; V807-F892 WeakPolarHBondContact CA-O 3.28Å; L808-F892 PolarHBondContact N-O 3.32Å; F892-R915 CarbonylContact C-O 3.56Å; F892-R915 WeakPolarHBondContact CA-O 3.4Å; F892-R915 HydrophobicContact CD1-CB 3.69Å; F892-R915 HydrophobicContact CE1-CB 3.86Å; F892-R915 HydrophobicContact CE1-CG 4.46Å; F892-R915 VanDerWaalsContact CE2-CZ 3.45Å; F892-R915 HydrophobicContact CG-CB 4.4Å; F892-V917 HydrophobicContact CD1-CG2 4.37Å
893	C	98.7	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.5	154.6	-178	0	0	0	0	109.5	L808 L910 A913 R915 F916 V917	L808-C893 HydrophobicContact CB-CB 4.42Å; L808-C893 CarbonylContact O-C 3.43Å; L808-C893 VanDerWaalsContact O-CA 3.3Å; L808-C893 WeakPolarHBondContact O-CA 3.44Å; C893-L910 HydrophobicContact CB-CD2 4.24Å; C893-A913 HydrophobicContact CB-CB 3.57Å; C893-A913 VanDerWaalsContact N-CB 3.34Å; C893-R915 PolarHBondContact N-O 2.84Å; C893-F916 HydrophobicContact CB-CB 4.23Å; C893-F916 CarbonylContact O-C 3.56Å; C893-F916 VanDerWaalsContact O-CA 3.27Å; C893-F916 WeakPolarHBondContact O-CA 3.31Å; C893-V917 PolarHBondContact O-N 2.85Å
894	I	98.8	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.8	169.2	-55.7	171.5	0	0	0	107.7	I793 L796 V797 L800 V807 L808 L809 T810 V917 V919	I793-I894 HydrophobicContact CG1-CG2 4.48Å; I793-I894 HydrophobicContact CG2-CG2 3.94Å; L796-I894 HydrophobicContact CD2-CD1 3.84Å; L796-I894 HydrophobicContact CD2-CG1 4.42Å; L796-I894 HydrophobicContact CG-CD1 4.11Å; V797-I894 HydrophobicContact CG2-CD1 3.67Å; L800-I894 HydrophobicContact CD1-CD1 4.23Å; V807-I894 HydrophobicContact CG1-CD1 3.85Å; V807-I894 HydrophobicContact CG1-CG1 4.19Å; L808-I894 PolarHBondContact O-N 3.18Å; L809-I894 HydrophobicContact CD1-CB 4.07Å; L809-I894 HydrophobicContact CD1-CG2 4.21Å; T810-I894 PolarHBondContact N-O 3.17Å; T810-I894 PolarHBondContact OG1-O 2.75Å; T810-I894 VanDerWaalsContact OG1-O 3.06Å; I894-V917 WeakPolarHBondContact CA-O 3.28Å; I894-V917 HydrophobicContact CG1-CB 4.3Å; I894-V919 HydrophobicContact CG2-CG2 4.31Å
895	V	98.5	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.6	178.5	-168.6	0	0	0	0	108.8	T810 A898 I901 P909 L910 V917 L918 V919	T810-V895 CarbonylContact O-C 3.54Å; T810-V895 WeakPolarHBondContact O-CA 3.44Å; V895-A898 HydrophobicContact CB-CB 4.24Å; V895-A898 HydrophobicContact CG1-CB 3.97Å; V895-I901 HydrophobicContact CG1-CD1 3.63Å; V895-P909 HydrophobicContact CG2-CG 4.4Å; V895-L910 HydrophobicContact CG2-CD2 4.07Å; V895-V917 PolarHBondContact N-O 2.91Å; V895-L918 HydrophobicContact CB-CD2 3.84Å; V895-L918 HydrophobicContact CG2-CD2 3.68Å; V895-V919 PolarHBondContact O-N 2.98Å
896	D	97.1	Very high	95.7	Very high	3 Å²	3	21 Å²	21	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	150.2	173.3	-162.1	12	0	0	0	111.5	I793 T810 S811 I820 A898 V919	I793-D896 HydrophobicContact CD1-CB 3.68Å; I793-D896 WeakPolarHBondContact CD1-OD1 3.26Å; I793-D896 WeakPolarHBondContact CD1-OD2 3.48Å; T810-D896 PolarHBondContact O-N 2.81Å; S811-D896 WeakPolarHBondContact CA-O 3.47Å; S811-D896 VanDerWaalsContact CB-O 3.3Å; S811-D896 WeakPolarHBondContact CB-O 3.33Å; S811-D896 PolarHBondContact OG-O 3.19Å; I820-D896 HydrophobicContact CD1-CB 4.07Å; D896-A898 PolarHBondContact O-N 3.34Å; D896-V919 CarbonylContact C-O 3.5Å
897	E	94.1	Very high	96	Very high	22 Å²	22	18.1 Å²	18.1	10%	0.103	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	32.7	-172.1	-59.8	-62.6	-179.7	0	0	114	K789 S899 Q900 V919	K789-E897 WeakPolarHBondContact CE-OE1 3.35Å; K789-E897 IonicContact NZ-OE1 3.58Å; K789-E897 PolarHBondContact NZ-OE1 2.89Å; K789-E897 IonicContact NZ-OE2 3.48Å; K789-E897 PolarHBondContact NZ-OE2 2.96Å; E897-S899 PolarHBondContact O-N 3.42Å; E897-Q900 PolarHBondContact O-N 3.47Å; E897-Q900 PolarHBondContact OE2-NE2 3.09Å; E897-V919 PolarHBondContact N-O 2.89Å
898	A	96.9	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-59.1	-19.5	-175.9	0	0	0	0	0	114.7	V895 D896 Q900 I901 L918 V919 F944	V895-A898 HydrophobicContact CB-CB 4.24Å; V895-A898 HydrophobicContact CG1-CB 3.97Å; D896-A898 PolarHBondContact O-N 3.34Å; A898-Q900 VanDerWaalsContact C-N 3.31Å; A898-I901 PolarHBondContact O-N 3.36Å; A898-L918 HydrophobicContact CB-CB 3.88Å; A898-L918 HydrophobicContact CB-CD2 4.46Å; A898-V919 WeakPolarHBondContact CB-O 3.38Å; A898-V919 PolarHBondContact N-O 3.11Å; A898-F944 HydrophobicContact CB-CB 4.18Å; A898-F944 HydrophobicContact CB-CD2 4.21Å
899	S	95.3	Very high	96.5	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-74.4	-16.7	174.5	59.1	0	0	0	0	114.3	E897 D921 P927 S942	E897-S899 PolarHBondContact O-N 3.42Å; S899-D921 WeakPolarHBondContact CB-O 3.36Å; S899-D921 PolarHBondContact OG-N 3.28Å; S899-D921 PolarHBondContact OG-O 3.33Å; S899-P927 WeakPolarHBondContact O-CD 3.25Å; S899-S942 WeakPolarHBondContact CA-OG 3.24Å; S899-S942 VanDerWaalsContact O-CB 3.26Å; S899-S942 WeakPolarHBondContact O-CB 3.32Å; S899-S942 PolarHBondContact O-OG 3.34Å
900	Q	92	Very high	96.6	Very high	38 Å²	38	5.3 Å²	5.3	18%	0.178	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-91.6	-4.7	173.1	-68.9	124.1	80.9	0	0	113.1	E897 A898 L925 P927 Q1108	E897-Q900 PolarHBondContact O-N 3.47Å; E897-Q900 PolarHBondContact OE2-NE2 3.09Å; A898-Q900 VanDerWaalsContact C-N 3.31Å; Q900-L925 WeakPolarHBondContact CG-O 3.36Å; Q900-P927 WeakPolarHBondContact O-CA 3.12Å; Q900-Q1108 VanDerWaalsContact CD-CD 3.42Å
901	I	94.6	Very high	96.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.	S	Bend	trans	-97.8	121.6	-171.7	-51.7	-174.4	0	0	0	109.9	Y812 V895 A898 I905 C906 S942	Y812-I901 HydrophobicContact CD2-CG1 4.47Å; V895-I901 HydrophobicContact CG1-CD1 3.63Å; A898-I901 PolarHBondContact O-N 3.36Å; I901-I905 HydrophobicContact CG2-CB 3.87Å; I901-I905 HydrophobicContact CG2-CG2 3.82Å; I901-C906 HydrophobicContact CB-CB 4.16Å; I901-C906 HydrophobicContact CG2-CB 3.74Å; I901-S942 WeakPolarHBondContact O-CB 3.4Å
902	S	94.8	Very high	96.5	Very high	14 Å²	14	4.9 Å²	4.9	10%	0.098	2%	0.024	C	C	.	.	B	Isolated β-bridge	trans	-57.3	138.5	173.6	-174.8	0	0	0	0	110.3	P904 I905 C906	S902-P904 VanDerWaalsContact C-CD 3.48Å; S902-P904 VanDerWaalsContact O-N 3.17Å; S902-I905 PolarHBondContact O-N 3.47Å; S902-C906 PolarHBondContact O-N 3.22Å; S902-C906 VanDerWaalsContact O-N 3.08Å
903	Q	96.8	Very high	96.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-48.2	-46.7	-168.9	-138.8	168.5	110.2	0	0	113.9	Y572 W576 I905 C906 L907 E941 L943	Y572-Q903 PolarHBondContact OH-OE1 2.97Å; Y572-Q903 VanDerWaalsContact OH-OE1 3.11Å; W576-Q903 HydrophobicContact CH2-CB 3.63Å; W576-Q903 HydrophobicContact CZ2-CB 3.33Å; W576-Q903 HydrophobicContact CZ2-CG 4.13Å; W576-Q903 HydrophobicContact CZ3-CB 4.42Å; Q903-I905 VanDerWaalsContact C-N 3.34Å; Q903-I905 PolarHBondContact O-N 3.37Å; Q903-C906 PolarHBondContact O-N 3.45Å; Q903-L907 PolarHBondContact O-N 2.9Å; Q903-L907 VanDerWaalsContact O-N 3.11Å; Q903-E941 PolarHBondContact NE2-O 3.38Å; Q903-E941 PolarHBondContact NE2-OE2 2.75Å; Q903-L943 HydrophobicContact CG-CB 3.83Å; Q903-L943 HydrophobicContact CG-CD1 3.94Å; Q903-L943 HydrophobicContact CG-CG 4.46Å
904	P	96.1	Very high	96.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63	-32.4	177.5	-25.5	37.8	0	0	0	114.8	W576 H709 N712 L713 S902	W576-P904 HydrophobicContact CD2-CG 3.97Å; W576-P904 HydrophobicContact CE3-CG 3.52Å; W576-P904 HydrophobicContact CZ3-CG 3.92Å; H709-P904 HydrophobicContact CB-CB 3.62Å; H709-P904 HydrophobicContact CB-CG 4.13Å; N712-P904 WeakPolarHBondContact CB-O 3.24Å; N712-P904 PolarHBondContact ND2-O 2.91Å; L713-P904 HydrophobicContact CD1-CB 4.23Å; L713-P904 HydrophobicContact CD1-CG 3.95Å; L713-P904 HydrophobicContact CD2-CB 4.48Å; L713-P904 HydrophobicContact CD2-CG 4.19Å; L713-P904 HydrophobicContact CG-CB 4.06Å; L713-P904 HydrophobicContact CG-CG 4.09Å; S902-P904 VanDerWaalsContact C-CD 3.48Å; S902-P904 VanDerWaalsContact O-N 3.17Å
905	I	96.1	Very high	96.3	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-78.5	-32.7	177.5	-60.3	-52.2	0	0	0	111	T708 H709 C877 M878 I901 S902 Q903 G908	T708-I905 HydrophobicContact CG2-CD1 3.98Å; H709-I905 HydrophobicContact CB-CD1 4.46Å; H709-I905 WeakPolarHBondContact NE2-CG1 3.33Å; C877-I905 HydrophobicContact CB-CG2 3.74Å; M878-I905 HydrophobicContact SD-CD1 3.65Å; M878-I905 HydrophobicContact SD-CG1 4.18Å; M878-I905 HydrophobicContact SD-CG2 3.91Å; I901-I905 HydrophobicContact CG2-CB 3.87Å; I901-I905 HydrophobicContact CG2-CG2 3.82Å; S902-I905 PolarHBondContact O-N 3.47Å; Q903-I905 VanDerWaalsContact C-N 3.34Å; Q903-I905 PolarHBondContact O-N 3.37Å; I905-G908 PolarHBondContact O-N 2.71Å
906	C	97.4	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.9	-35.3	176.8	-155.7	0	0	0	0	112	I901 S902 Q903 G908 P909 L910 L943	I901-C906 HydrophobicContact CB-CB 4.16Å; I901-C906 HydrophobicContact CG2-CB 3.74Å; S902-C906 PolarHBondContact O-N 3.22Å; S902-C906 VanDerWaalsContact O-N 3.08Å; Q903-C906 PolarHBondContact O-N 3.45Å; C906-G908 VanDerWaalsContact C-N 3.29Å; C906-G908 PolarHBondContact O-N 3.03Å; C906-P909 WeakPolarHBondContact O-CD 3.24Å; C906-L910 WeakPolarHBondContact O-CG 3.46Å; C906-L943 HydrophobicContact CB-CB 3.75Å; C906-L943 HydrophobicContact CB-CD2 3.92Å
907	L	96.8	Very high	96.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.4	-33.9	172.5	-76.6	169.1	0	0	0	113.7	L716 V730 Q903 L910 F911 L943	L716-L907 HydrophobicContact CD1-CD2 4.46Å; L716-L907 HydrophobicContact CD2-CD1 3.9Å; V730-L907 HydrophobicContact CB-CD2 4.47Å; V730-L907 HydrophobicContact CG1-CD2 4.32Å; V730-L907 HydrophobicContact CG2-CD2 4.03Å; Q903-L907 PolarHBondContact O-N 2.9Å; Q903-L907 VanDerWaalsContact O-N 3.11Å; L907-L910 WeakPolarHBondContact O-CB 3.22Å; L907-L910 PolarHBondContact O-N 3.1Å; L907-F911 HydrophobicContact CB-CE2 4.2Å; L907-F911 WeakPolarHBondContact O-CD2 3.36Å; L907-L943 HydrophobicContact CD2-CD2 4.29Å; L907-L943 HydrophobicContact CG-CD2 4.41Å
908	G	95.5	Very high	96.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-56.2	-172.1	0	0	0	0	0	116	N712 I905 C906 L910 Y912	N712-G908 VanDerWaalsContact ND2-CA 3.29Å; N712-G908 WeakPolarHBondContact ND2-CA 3.3Å; I905-G908 PolarHBondContact O-N 2.71Å; C906-G908 VanDerWaalsContact C-N 3.29Å; C906-G908 PolarHBondContact O-N 3.03Å; G908-L910 VanDerWaalsContact C-N 3.3Å; G908-L910 PolarHBondContact O-N 3.22Å; G908-Y912 WeakPolarHBondContact O-CE2 3.42Å
909	P	97.5	Very high	96.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.8	177.7	28.7	-36.4	0	0	0	114.3	L808 T810 I880 V895 C906 F911 Y912	L808-P909 HydrophobicContact CD2-CB 3.98Å; T810-P909 HydrophobicContact CG2-CB 3.95Å; T810-P909 HydrophobicContact CG2-CG 4.42Å; I880-P909 HydrophobicContact CG2-CB 4.06Å; V895-P909 HydrophobicContact CG2-CG 4.4Å; C906-P909 WeakPolarHBondContact O-CD 3.24Å; P909-F911 PolarHBondContact O-N 3.36Å; P909-Y912 PolarHBondContact O-N 3.43Å
910	L	98.1	Very high	96.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-73.6	-27.6	-175.8	-46.9	-171.9	0	0	0	112.5	L726 C893 V895 C906 L907 G908 Y912 A913 F916 L943	L726-L910 HydrophobicContact CD1-CB 4.19Å; L726-L910 HydrophobicContact CD2-CB 3.97Å; L726-L910 HydrophobicContact CD2-CD1 4.43Å; C893-L910 HydrophobicContact CB-CD2 4.24Å; V895-L910 HydrophobicContact CG2-CD2 4.07Å; C906-L910 WeakPolarHBondContact O-CG 3.46Å; L907-L910 WeakPolarHBondContact O-CB 3.22Å; L907-L910 PolarHBondContact O-N 3.1Å; G908-L910 VanDerWaalsContact C-N 3.3Å; G908-L910 PolarHBondContact O-N 3.22Å; L910-Y912 PolarHBondContact O-N 2.92Å; L910-A913 PolarHBondContact O-N 2.8Å; L910-F916 HydrophobicContact CD1-CD1 4.15Å; L910-F916 HydrophobicContact CD1-CD2 4.08Å; L910-F916 HydrophobicContact CD1-CE1 4.19Å; L910-F916 HydrophobicContact CD1-CE2 4.12Å; L910-F916 HydrophobicContact CD1-CG 4.09Å; L910-F916 HydrophobicContact CD1-CZ 4.18Å; L910-F916 HydrophobicContact CD2-CB 3.68Å; L910-F916 HydrophobicContact CD2-CD1 4.45Å; L910-F916 HydrophobicContact CD2-CD2 4.27Å; L910-F916 HydrophobicContact CD2-CG 3.92Å; L910-L943 HydrophobicContact CD1-CD2 3.69Å
911	F	96.7	Very high	96.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-61.1	-4.6	172.5	-66	-73	0	0	0	114.7	N712 R715 L716 L726 L907 P909	N712-F911 HydrophobicContact CB-CE2 4.41Å; N712-F911 WeakPolarHBondContact O-CZ 3.43Å; R715-F911 HydrophobicContact CB-CE1 4.39Å; R715-F911 HydrophobicContact CB-CE2 4.34Å; R715-F911 HydrophobicContact CB-CZ 4.07Å; R715-F911 HydrophobicContact CG-CD1 3.94Å; R715-F911 HydrophobicContact CG-CD2 4.37Å; R715-F911 HydrophobicContact CG-CE1 3.76Å; R715-F911 HydrophobicContact CG-CE2 4.2Å; R715-F911 HydrophobicContact CG-CG 4.26Å; R715-F911 HydrophobicContact CG-CZ 3.89Å; L716-F911 HydrophobicContact CB-CZ 3.98Å; L716-F911 HydrophobicContact CD1-CE1 4.33Å; L716-F911 HydrophobicContact CD1-CZ 4.25Å; L726-F911 HydrophobicContact CD1-CD1 3.48Å; L726-F911 VanDerWaalsContact CD1-CD1 3.48Å; L726-F911 HydrophobicContact CD1-CE1 3.71Å; L726-F911 HydrophobicContact CD1-CG 3.96Å; L726-F911 HydrophobicContact CD1-CZ 4.38Å; L907-F911 HydrophobicContact CB-CE2 4.2Å; L907-F911 WeakPolarHBondContact O-CD2 3.36Å; P909-F911 PolarHBondContact O-N 3.36Å
912	Y	96.7	Very high	96.7	Very high	21 Å²	21	11.1 Å²	11.1	8%	0.082	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-117.1	3.5	-179	-52.5	-73.5	0	0	0	113.5	R715 I880 F885 R889 F890 G908 P909 L910	R715-Y912 PolarHBondContact NH1-OH 2.8Å; I880-Y912 HydrophobicContact CB-CE2 4.01Å; I880-Y912 HydrophobicContact CG2-CE2 4.24Å; I880-Y912 PolarHBondContact O-OH 3.38Å; F885-Y912 HydrophobicContact CB-CD1 3.85Å; F885-Y912 HydrophobicContact CB-CD2 4.42Å; F885-Y912 HydrophobicContact CB-CE1 3.53Å; F885-Y912 HydrophobicContact CB-CE2 4.15Å; F885-Y912 HydrophobicContact CB-CG 4.25Å; F885-Y912 HydrophobicContact CD1-CD1 4.3Å; F885-Y912 HydrophobicContact CD1-CD2 4.05Å; F885-Y912 HydrophobicContact CD1-CE2 4.45Å; F885-Y912 AromaticContact CD1-CG 3.92Å; F885-Y912 HydrophobicContact CD1-CG 3.92Å; F885-Y912 HydrophobicContact CG-CD2 4.39Å; F885-Y912 HydrophobicContact CG-CE1 4.45Å; F885-Y912 HydrophobicContact CG-CE2 4.34Å; F885-Y912 HydrophobicContact CG-CG 4.43Å; F885-Y912 WeakPolarHBondContact O-CD1 3.4Å; F885-Y912 WeakPolarHBondContact O-CE1 3.23Å; R889-Y912 CarbonylContact C-O 3.59Å; R889-Y912 WeakPolarHBondContact CA-O 3.49Å; R889-Y912 WeakPolarHBondContact CD-O 3.43Å; F890-Y912 PolarHBondContact N-O 3.15Å; G908-Y912 WeakPolarHBondContact O-CE2 3.42Å; P909-Y912 PolarHBondContact O-N 3.43Å; L910-Y912 PolarHBondContact O-N 2.92Å
913	A	97.4	Very high	96.6	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.4	-178.1	0	0	0	0	0	113.7	R725 F890 C893 L910 R915	R725-A913 PolarHBondContact NH2-O 2.58Å; F890-A913 HydrophobicContact CB-CB 4.2Å; F890-A913 VanDerWaalsContact O-CA 3.27Å; F890-A913 WeakPolarHBondContact O-CA 3.22Å; C893-A913 HydrophobicContact CB-CB 3.57Å; C893-A913 VanDerWaalsContact N-CB 3.34Å; L910-A913 PolarHBondContact O-N 2.8Å; A913-R915 WeakPolarHBondContact CB-O 3.34Å
914	K	96.4	Very high	96.4	Very high	124 Å²	124	12.5 Å²	12.5	54%	0.539	6%	0.055	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-46.3	176.6	-60	170.7	-168.5	160.8	0	111.5	R725 F890 D891	R725-K914 PolarHBondContact NE-O 3.03Å; R725-K914 PolarHBondContact NH2-O 3.26Å; F890-K914 PolarHBondContact O-N 3.27Å; D891-K914 IonicContact OD1-NZ 2.68Å; D891-K914 PolarHBondContact OD1-NZ 2.74Å
915	R	97.5	Very high	96.1	Very high	36 Å²	36	12.8 Å²	12.8	14%	0.136	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	157.7	176.9	-73.6	168.8	-65.4	-170.3	-2.2	111.7	S775 K776 D777 D891 F892 C893 A913	S775-R915 WeakPolarHBondContact O-CD 3.22Å; S775-R915 PolarHBondContact O-NH1 3.24Å; K776-R915 WeakPolarHBondContact O-CG 3.47Å; D777-R915 VanDerWaalsContact O-CA 3.26Å; D777-R915 WeakPolarHBondContact O-CA 3.37Å; D891-R915 WeakPolarHBondContact O-CB 3.49Å; D891-R915 PolarHBondContact O-N 3.4Å; D891-R915 PolarHBondContact O-NE 2.91Å; F892-R915 CarbonylContact C-O 3.56Å; F892-R915 WeakPolarHBondContact CA-O 3.4Å; F892-R915 HydrophobicContact CD1-CB 3.69Å; F892-R915 HydrophobicContact CE1-CB 3.86Å; F892-R915 HydrophobicContact CE1-CG 4.46Å; F892-R915 VanDerWaalsContact CE2-CZ 3.45Å; F892-R915 HydrophobicContact CG-CB 4.4Å; C893-R915 PolarHBondContact N-O 2.84Å; A913-R915 WeakPolarHBondContact CB-O 3.34Å
916	F	98.5	Very high	95.9	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.6	172	63.9	-92	0	0	0	114.9	L726 L729 D777 F778 T779 C893 L910 L918 L947	L726-F916 HydrophobicContact CD2-CE1 4.16Å; L729-F916 HydrophobicContact CD1-CE1 4.24Å; D777-F916 PolarHBondContact O-N 2.71Å; D777-F916 VanDerWaalsContact O-N 3.16Å; F778-F916 CarbonylContact C-O 3.52Å; F778-F916 WeakPolarHBondContact CA-O 3.31Å; F778-F916 HydrophobicContact CB-CD1 4.08Å; F778-F916 HydrophobicContact CB-CD2 3.63Å; F778-F916 HydrophobicContact CB-CE1 3.86Å; F778-F916 HydrophobicContact CB-CE2 3.39Å; F778-F916 HydrophobicContact CB-CG 3.98Å; F778-F916 HydrophobicContact CB-CZ 3.51Å; F778-F916 WeakPolarHBondContact CB-O 3.34Å; F778-F916 HydrophobicContact CD1-CE1 4.3Å; F778-F916 HydrophobicContact CD1-CE2 4.21Å; F778-F916 AromaticContact CD1-CZ 3.71Å; F778-F916 HydrophobicContact CD1-CZ 3.71Å; F778-F916 HydrophobicContact CD2-CE2 4.39Å; F778-F916 HydrophobicContact CG-CD2 4.49Å; F778-F916 HydrophobicContact CG-CE1 4.44Å; F778-F916 AromaticContact CG-CE2 3.79Å; F778-F916 HydrophobicContact CG-CE2 3.79Å; F778-F916 AromaticContact CG-CZ 3.76Å; F778-F916 HydrophobicContact CG-CZ 3.76Å; T779-F916 PolarHBondContact N-O 3.07Å; T779-F916 VanDerWaalsContact N-O 3.1Å; C893-F916 HydrophobicContact CB-CB 4.23Å; C893-F916 CarbonylContact O-C 3.56Å; C893-F916 VanDerWaalsContact O-CA 3.27Å; C893-F916 WeakPolarHBondContact O-CA 3.31Å; L910-F916 HydrophobicContact CD1-CD1 4.15Å; L910-F916 HydrophobicContact CD1-CD2 4.08Å; L910-F916 HydrophobicContact CD1-CE1 4.19Å; L910-F916 HydrophobicContact CD1-CE2 4.12Å; L910-F916 HydrophobicContact CD1-CG 4.09Å; L910-F916 HydrophobicContact CD1-CZ 4.18Å; L910-F916 HydrophobicContact CD2-CB 3.68Å; L910-F916 HydrophobicContact CD2-CD1 4.45Å; L910-F916 HydrophobicContact CD2-CD2 4.27Å; L910-F916 HydrophobicContact CD2-CG 3.92Å; F916-L918 HydrophobicContact CD2-CD1 4.42Å; F916-L918 HydrophobicContact CD2-CD2 3.79Å; F916-L918 HydrophobicContact CD2-CG 3.83Å; F916-L918 HydrophobicContact CE2-CD1 4.14Å; F916-L918 HydrophobicContact CE2-CD2 4.29Å; F916-L918 HydrophobicContact CE2-CG 4.03Å; F916-L947 HydrophobicContact CE2-CD1 3.77Å; F916-L947 HydrophobicContact CZ-CD1 3.92Å
917	V	98.8	Very high	95.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.2	176	-173.1	0	0	0	0	108.1	V772 T779 I781 L796 F892 C893 I894 V895 V919	V772-V917 HydrophobicContact CB-CG2 4.32Å; V772-V917 HydrophobicContact CG1-CG2 3.53Å; V772-V917 HydrophobicContact CG2-CG1 3.97Å; V772-V917 HydrophobicContact CG2-CG2 3.77Å; T779-V917 WeakPolarHBondContact O-CA 3.43Å; I781-V917 HydrophobicContact CD1-CG1 3.74Å; I781-V917 HydrophobicContact CG1-CG1 4.09Å; L796-V917 HydrophobicContact CD2-CG1 4.28Å; L796-V917 HydrophobicContact CD2-CG2 4.32Å; F892-V917 HydrophobicContact CD1-CG2 4.37Å; C893-V917 PolarHBondContact O-N 2.85Å; I894-V917 WeakPolarHBondContact CA-O 3.28Å; I894-V917 HydrophobicContact CG1-CB 4.3Å; V895-V917 PolarHBondContact N-O 2.91Å; V917-V919 HydrophobicContact CG1-CG2 4.09Å
918	L	98.7	Very high	95.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.9	173	-49.8	-174.9	0	0	0	108.1	T779 L780 I781 V895 A898 F916 L943 F944 L947	T779-L918 PolarHBondContact O-N 2.97Å; T779-L918 VanDerWaalsContact O-N 3.09Å; L780-L918 WeakPolarHBondContact CA-O 3.36Å; L780-L918 HydrophobicContact CD2-CB 3.79Å; L780-L918 HydrophobicContact CD2-CD1 3.9Å; L780-L918 HydrophobicContact CD2-CG 3.98Å; I781-L918 PolarHBondContact N-O 2.66Å; V895-L918 HydrophobicContact CB-CD2 3.84Å; V895-L918 HydrophobicContact CG2-CD2 3.68Å; A898-L918 HydrophobicContact CB-CB 3.88Å; A898-L918 HydrophobicContact CB-CD2 4.46Å; F916-L918 HydrophobicContact CD2-CD1 4.42Å; F916-L918 HydrophobicContact CD2-CD2 3.79Å; F916-L918 HydrophobicContact CD2-CG 3.83Å; F916-L918 HydrophobicContact CE2-CD1 4.14Å; F916-L918 HydrophobicContact CE2-CD2 4.29Å; F916-L918 HydrophobicContact CE2-CG 4.03Å; L918-L943 HydrophobicContact CD1-CB 4.39Å; L918-L943 HydrophobicContact CD1-CD2 4.27Å; L918-L943 HydrophobicContact CD1-CG 3.96Å; L918-F944 HydrophobicContact CB-CD2 3.75Å; L918-F944 HydrophobicContact CB-CE2 4.43Å; L918-F944 WeakPolarHBondContact O-CE2 3.37Å; L918-L947 HydrophobicContact CD1-CD1 4.11Å
919	V	98.3	Very high	95	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.1	176.2	-169.8	0	0	0	0	107.9	I781 K789 I793 I894 V895 D896 E897 A898 V917	I781-V919 HydrophobicContact CB-CB 4.47Å; I781-V919 HydrophobicContact CB-CG1 4.14Å; I781-V919 HydrophobicContact CB-CG2 4.11Å; I781-V919 HydrophobicContact CD1-CG2 4.16Å; I781-V919 HydrophobicContact CG1-CG2 4.47Å; I781-V919 HydrophobicContact CG2-CG1 4.22Å; K789-V919 HydrophobicContact CB-CG1 4.46Å; K789-V919 HydrophobicContact CD-CG1 4.01Å; K789-V919 HydrophobicContact CG-CG1 4.06Å; I793-V919 HydrophobicContact CD1-CB 4.03Å; I793-V919 HydrophobicContact CD1-CG1 3.98Å; I793-V919 HydrophobicContact CD1-CG2 4.06Å; I793-V919 HydrophobicContact CG1-CB 4.38Å; I793-V919 HydrophobicContact CG1-CG1 4.31Å; I793-V919 HydrophobicContact CG1-CG2 3.89Å; I894-V919 HydrophobicContact CG2-CG2 4.31Å; V895-V919 PolarHBondContact O-N 2.98Å; D896-V919 CarbonylContact C-O 3.5Å; E897-V919 PolarHBondContact N-O 2.89Å; A898-V919 WeakPolarHBondContact CB-O 3.38Å; A898-V919 PolarHBondContact N-O 3.11Å; V917-V919 HydrophobicContact CG1-CG2 4.09Å
920	G	95.8	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-170.6	-170.5	0	0	0	0	0	111.7	I781 V782 G783	I781-G920 PolarHBondContact O-N 2.87Å; I781-G920 VanDerWaalsContact O-N 3.11Å; V782-G920 CarbonylContact C-O 3.53Å; V782-G920 WeakPolarHBondContact CA-O 3.48Å; G783-G920 PolarHBondContact N-O 2.99Å
921	D	95	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.			trans	-156.6	115.1	174.3	-175.2	-2.9	0	0	0	108.9	S899 Q923 Q924 Y976	S899-D921 WeakPolarHBondContact CB-O 3.36Å; S899-D921 PolarHBondContact OG-N 3.28Å; S899-D921 PolarHBondContact OG-O 3.33Å; D921-Q923 PolarHBondContact O-N 2.67Å; D921-Q923 VanDerWaalsContact OD1-CB 3.29Å; D921-Q923 WeakPolarHBondContact OD1-CB 3.4Å; D921-Q923 PolarHBondContact OD1-N 3.1Å; D921-Q924 HydrophobicContact CB-CB 4.36Å; D921-Q924 HydrophobicContact CB-CG 4.31Å; D921-Q924 PolarHBondContact O-N 2.94Å; D921-Q924 PolarHBondContact OD2-NE2 3.36Å; D921-Y976 PolarHBondContact OD2-OH 3.35Å
922	H	92.4	Very high	93.9	Very high	33 Å²	33	31.1 Å²	31.1	15%	0.153	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.8	179.5	75	-101.1	0	0	0	113.2	Q924 K945 E948 R1137	H922-Q924 VanDerWaalsContact C-N 3.33Å; H922-K945 HydrophobicContact CB-CD 3.85Å; H922-E948 IonicContact CE1-OE1 3.85Å; H922-E948 PolarHBondContact CE1-OE1 3.27Å; H922-E948 VanDerWaalsContact CE1-OE1 3.24Å; H922-E948 IonicContact CE1-OE2 3.67Å; H922-E948 PolarHBondContact CE1-OE2 2.78Å; H922-E948 IonicContact CG-OE1 3.78Å; H922-E948 IonicContact CG-OE2 3.98Å; H922-E948 IonicContact ND1-OE1 3.48Å; H922-E948 PolarHBondContact ND1-OE1 3.23Å; H922-E948 IonicContact ND1-OE2 2.64Å; H922-E948 PolarHBondContact ND1-OE2 2.84Å; H922-E948 IonicContact NE2-OE2 2.78Å; H922-R1137 PolarHBondContact O-NE 3.12Å
923	Q	93	Very high	93.8	Very high	38 Å²	38	32.8 Å²	32.8	18%	0.178	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.8	173.5	-56.6	-78.2	-27.2	0	0	112.1	D921 M975 Y976 W1136 N1140	D921-Q923 PolarHBondContact O-N 2.67Å; D921-Q923 VanDerWaalsContact OD1-CB 3.29Å; D921-Q923 WeakPolarHBondContact OD1-CB 3.4Å; D921-Q923 PolarHBondContact OD1-N 3.1Å; Q923-M975 PolarHBondContact OE1-O 3.46Å; Q923-Y976 HydrophobicContact CB-CD1 4.5Å; Q923-Y976 HydrophobicContact CB-CE1 3.58Å; Q923-Y976 WeakPolarHBondContact CB-OH 3.46Å; Q923-Y976 HydrophobicContact CG-CD1 4.28Å; Q923-Y976 HydrophobicContact CG-CE1 3.75Å; Q923-W1136 HydrophobicContact CB-CH2 4.32Å; Q923-W1136 HydrophobicContact CB-CZ3 3.97Å; Q923-W1136 HydrophobicContact CG-CH2 4.45Å; Q923-W1136 HydrophobicContact CG-CZ3 4.46Å; Q923-N1140 PolarHBondContact O-ND2 3.13Å
924	Q	91.8	Very high	93.7	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.023	16%	0.156	C	C	.	.	S	Bend	trans	-107.2	-175.6	168.7	-68.1	-180	78.5	0	0	110.1	P785 D921 H922 R1137 V1141	P785-Q924 HydrophobicContact CG-CG 4.47Å; D921-Q924 HydrophobicContact CB-CB 4.36Å; D921-Q924 HydrophobicContact CB-CG 4.31Å; D921-Q924 PolarHBondContact O-N 2.94Å; D921-Q924 PolarHBondContact OD2-NE2 3.36Å; H922-Q924 VanDerWaalsContact C-N 3.33Å; Q924-R1137 WeakPolarHBondContact O-CD 3.42Å; Q924-V1141 HydrophobicContact CB-CG2 3.66Å; Q924-V1141 HydrophobicContact CG-CG2 3.68Å
925	L	90.4	Very high	93.5	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	15%	0.145	C	C	.	.			trans	-56.3	142	-169.1	-56.8	-169.4	0	0	0	113.3	Q900 D1105 R1137 R1138 V1141	Q900-L925 WeakPolarHBondContact CG-O 3.36Å; L925-D1105 HydrophobicContact CD1-CB 4.08Å; L925-R1137 HydrophobicContact CD2-CB 4.32Å; L925-R1138 HydrophobicContact CD2-CB 4.29Å; L925-R1138 HydrophobicContact CD2-CG 3.54Å; L925-V1141 HydrophobicContact CD2-CG2 4.27Å; L925-V1141 HydrophobicContact CG-CG2 4.15Å
926	P	91.9	Very high	93.3	Very high	22 Å²	22	33.7 Å²	33.7	14%	0.143	17%	0.172	C	C	.	.			trans	-83.4	-179.3	172.5	40.6	-37.5	0	0	0	110.6	D940	P926-D940 HydrophobicContact CB-CB 4.13Å; P926-D940 HydrophobicContact CG-CB 4.44Å
927	P	91.9	Very high	93.2	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.052	19%	0.186	C	C	.	.			trans	-57.9	141.5	167.7	-19.1	33.3	0	0	0	111.5	S899 Q900 V929 D940	S899-P927 WeakPolarHBondContact O-CD 3.25Å; Q900-P927 WeakPolarHBondContact O-CA 3.12Å; P927-V929 PolarHBondContact O-N 2.8Å; P927-D940 WeakPolarHBondContact CD-O 3.45Å
928	I	87.3	Confident	93	Very high	129 Å²	129	37.6 Å²	37.6	66%	0.662	20%	0.198	S	C	*	.			trans	-79.9	116.7	179.5	-59.6	175.8	0	0	0	109.4
929	V	90.4	Very high	92.9	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	20%	0.2	C	C	.	.			trans	-118.4	126.9	174.3	-177.9	0	0	0	0	108.7	P927 A934 R935 M939 D940	P927-V929 PolarHBondContact O-N 2.8Å; V929-A934 HydrophobicContact CG1-CB 4.11Å; V929-R935 HydrophobicContact CB-CB 4.29Å; V929-R935 HydrophobicContact CB-CG 4.32Å; V929-R935 HydrophobicContact CG1-CB 4.09Å; V929-R935 PolarHBondContact O-NE 3.3Å; V929-R935 PolarHBondContact O-NH2 3.08Å; V929-M939 HydrophobicContact CG1-CB 4.09Å; V929-M939 HydrophobicContact CG1-CG 4.25Å; V929-M939 HydrophobicContact CG1-SD 3.78Å; V929-M939 HydrophobicContact CG2-CB 3.83Å; V929-M939 HydrophobicContact CG2-CG 3.8Å; V929-M939 HydrophobicContact CG2-SD 4.2Å; V929-D940 HydrophobicContact CG2-CB 4.09Å
930	Q	89.3	Confident	92.7	Very high	78 Å²	78	39.5 Å²	39.5	36%	0.364	21%	0.209	S	C	.	.			trans	-89.1	-34.1	-176.8	-62.6	-167.9	62.2	0	0	114	E583 T586 K590	E583-Q930 VanDerWaalsContact CD-N 3.3Å; E583-Q930 VanDerWaalsContact OE1-CB 3.26Å; E583-Q930 WeakPolarHBondContact OE1-CB 3.41Å; E583-Q930 WeakPolarHBondContact OE1-CG 3.33Å; E583-Q930 PolarHBondContact OE1-N 3.05Å; E583-Q930 WeakPolarHBondContact OE2-CA 3.14Å; E583-Q930 PolarHBondContact OE2-N 3.32Å; T586-Q930 HydrophobicContact CG2-CB 4.09Å; K590-Q930 VanDerWaalsContact CD-OE1 3.3Å
931	N	90.9	Very high	92.7	Very high	22 Å²	22	42.5 Å²	42.5	12%	0.118	22%	0.223	C	C	.	.			trans	-75.6	128.6	177.5	-176.4	-73.6	0	0	0	110.3	L582 E583 T586 E933 A934 R935	L582-N931 PolarHBondContact O-ND2 2.89Å; E583-N931 WeakPolarHBondContact OE2-CB 3.36Å; E583-N931 PolarHBondContact OE2-N 3.36Å; T586-N931 HydrophobicContact CG2-CB 4.28Å; T586-N931 WeakPolarHBondContact OG1-CB 3.49Å; T586-N931 PolarHBondContact OG1-ND2 2.96Å; N931-E933 WeakPolarHBondContact OD1-CA 3.29Å; N931-E933 WeakPolarHBondContact OD1-CB 3.15Å; N931-E933 PolarHBondContact OD1-N 2.91Å; N931-A934 HydrophobicContact CB-CB 3.95Å; N931-A934 PolarHBondContact OD1-N 3.46Å; N931-R935 PolarHBondContact O-N 2.95Å; N931-R935 VanDerWaalsContact O-N 3.14Å
932	Q	90.6	Very high	92.9	Very high	119 Å²	119	42.7 Å²	42.7	56%	0.556	22%	0.224	S	C	*	.	H	α-helix	trans	-70.6	-37.2	-175.6	-162.2	76.7	1.2	0	0	112.1	R935 S936	Q932-R935 PolarHBondContact O-N 3.33Å; Q932-S936 PolarHBondContact O-N 3.5Å; Q932-S936 PolarHBondContact O-OG 2.86Å
933	E	93.6	Very high	93.1	Very high	57 Å²	57	41.1 Å²	41.1	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-70.6	-46.5	-180	-175.7	-179.8	-178.9	0	0	111	S511 L582 N931 R935 S936 L937	S511-E933 WeakPolarHBondContact CB-OE1 3.46Å; S511-E933 PolarHBondContact N-OE1 3.41Å; S511-E933 VanDerWaalsContact OG-CD 3.23Å; S511-E933 PolarHBondContact OG-OE1 2.74Å; S511-E933 PolarHBondContact OG-OE2 3.32Å; L582-E933 HydrophobicContact CD1-CB 4.48Å; L582-E933 HydrophobicContact CD1-CG 4.11Å; N931-E933 WeakPolarHBondContact OD1-CA 3.29Å; N931-E933 WeakPolarHBondContact OD1-CB 3.15Å; N931-E933 PolarHBondContact OD1-N 2.91Å; E933-R935 VanDerWaalsContact C-N 3.26Å; E933-R935 PolarHBondContact O-N 3.44Å; E933-S936 WeakPolarHBondContact CA-OG 3.07Å; E933-S936 PolarHBondContact O-N 2.83Å; E933-S936 PolarHBondContact O-OG 3.02Å; E933-L937 HydrophobicContact CG-CD1 4.07Å; E933-L937 WeakPolarHBondContact O-CB 3.44Å; E933-L937 VanDerWaalsContact O-CG 3.29Å; E933-L937 WeakPolarHBondContact O-CG 3.35Å; E933-L937 PolarHBondContact O-N 3.09Å
934	A	94.4	Very high	93.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-36.9	173.7	0	0	0	0	0	111.8	L579 L582 V929 N931 L937 G938 M939	L579-A934 HydrophobicContact CD2-CB 4.08Å; L579-A934 WeakPolarHBondContact CD2-O 3.45Å; L582-A934 HydrophobicContact CB-CB 4.01Å; L582-A934 HydrophobicContact CD1-CB 4.38Å; V929-A934 HydrophobicContact CG1-CB 4.11Å; N931-A934 HydrophobicContact CB-CB 3.95Å; N931-A934 PolarHBondContact OD1-N 3.46Å; A934-L937 PolarHBondContact O-N 3.45Å; A934-G938 PolarHBondContact O-N 2.83Å; A934-M939 HydrophobicContact CB-CB 4.24Å; A934-M939 HydrophobicContact CB-SD 3.87Å; A934-M939 WeakPolarHBondContact O-CB 3.33Å; A934-M939 PolarHBondContact O-N 2.81Å
935	R	93.5	Very high	93.6	Very high	81 Å²	81	43.2 Å²	43.2	31%	0.306	23%	0.225	S	C	.	.	H	α-helix	trans	-67.9	-46.9	173.6	-156.9	-171.9	-48.7	112.6	10.9	111.9	V929 N931 Q932 E933 L937 G938 D940	V929-R935 HydrophobicContact CB-CB 4.29Å; V929-R935 HydrophobicContact CB-CG 4.32Å; V929-R935 HydrophobicContact CG1-CB 4.09Å; V929-R935 PolarHBondContact O-NE 3.3Å; V929-R935 PolarHBondContact O-NH2 3.08Å; N931-R935 PolarHBondContact O-N 2.95Å; N931-R935 VanDerWaalsContact O-N 3.14Å; Q932-R935 PolarHBondContact O-N 3.33Å; E933-R935 VanDerWaalsContact C-N 3.26Å; E933-R935 PolarHBondContact O-N 3.44Å; R935-L937 PolarHBondContact O-N 3.14Å; R935-G938 PolarHBondContact O-N 3.49Å; R935-D940 HydrophobicContact CG-CB 4.18Å
936	S	93.6	Very high	94	Very high	100 Å²	100	45.5 Å²	45.5	70%	0.699	23%	0.233	S	C	*	.	H	α-helix	trans	-64.5	-25	176.9	54.9	0	0	0	0	113.8	Q932 E933 G938	Q932-S936 PolarHBondContact O-N 3.5Å; Q932-S936 PolarHBondContact O-OG 2.86Å; E933-S936 WeakPolarHBondContact CA-OG 3.07Å; E933-S936 PolarHBondContact O-N 2.83Å; E933-S936 PolarHBondContact O-OG 3.02Å; S936-G938 VanDerWaalsContact C-N 3.31Å
937	L	95.1	Very high	94.3	Very high	58 Å²	58	44.4 Å²	44.4	30%	0.304	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.5	172.3	-68.8	172.6	0	0	0	113.3	H575 L579 L582 E933 A934 R935	H575-L937 PolarHBondContact CE1-O 2.94Å; H575-L937 PolarHBondContact NE2-O 3.33Å; L579-L937 HydrophobicContact CD2-CB 3.56Å; L579-L937 HydrophobicContact CD2-CD1 4.29Å; L582-L937 HydrophobicContact CD1-CD1 4.22Å; E933-L937 HydrophobicContact CG-CD1 4.07Å; E933-L937 WeakPolarHBondContact O-CB 3.44Å; E933-L937 VanDerWaalsContact O-CG 3.29Å; E933-L937 WeakPolarHBondContact O-CG 3.35Å; E933-L937 PolarHBondContact O-N 3.09Å; A934-L937 PolarHBondContact O-N 3.45Å; R935-L937 PolarHBondContact O-N 3.14Å
938	G	95.4	Very high	94.5	Very high	25 Å²	25	45.2 Å²	45.2	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	14.7	170.1	0	0	0	0	0	116.8	A934 R935 S936 D940 E941	A934-G938 PolarHBondContact O-N 2.83Å; R935-G938 PolarHBondContact O-N 3.49Å; S936-G938 VanDerWaalsContact C-N 3.31Å; G938-D940 PolarHBondContact O-N 3.24Å; G938-D940 VanDerWaalsContact O-N 3.11Å; G938-E941 VanDerWaalsContact O-CB 3.28Å; G938-E941 WeakPolarHBondContact O-CB 3.3Å; G938-E941 PolarHBondContact O-N 2.83Å
939	M	96.3	Very high	94.9	Very high	5 Å²	5	44 Å²	44	3%	0.025	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.7	179.5	-166.3	179.2	-174.2	0	0	114.2	W576 L579 E583 L706 V929 A934 E941	W576-M939 HydrophobicContact CH2-CG 4.35Å; W576-M939 HydrophobicContact CZ3-CG 3.82Å; L579-M939 HydrophobicContact CB-CB 4.3Å; L579-M939 HydrophobicContact CB-CG 4.14Å; L579-M939 HydrophobicContact CB-SD 4.07Å; L579-M939 HydrophobicContact CD1-CB 3.92Å; L579-M939 HydrophobicContact CD1-CG 4.3Å; L579-M939 HydrophobicContact CD2-CB 4.19Å; L579-M939 HydrophobicContact CG-CB 4.37Å; E583-M939 HydrophobicContact CB-CE 3.81Å; E583-M939 HydrophobicContact CB-SD 3.8Å; E583-M939 HydrophobicContact CG-CE 4.07Å; E583-M939 HydrophobicContact CG-SD 4.3Å; L706-M939 HydrophobicContact CD1-CE 4.39Å; V929-M939 HydrophobicContact CG1-CB 4.09Å; V929-M939 HydrophobicContact CG1-CG 4.25Å; V929-M939 HydrophobicContact CG1-SD 3.78Å; V929-M939 HydrophobicContact CG2-CB 3.83Å; V929-M939 HydrophobicContact CG2-CG 3.8Å; V929-M939 HydrophobicContact CG2-SD 4.2Å; A934-M939 HydrophobicContact CB-CB 4.24Å; A934-M939 HydrophobicContact CB-SD 3.87Å; A934-M939 WeakPolarHBondContact O-CB 3.33Å; A934-M939 PolarHBondContact O-N 2.81Å; M939-E941 VanDerWaalsContact C-N 3.33Å
940	D	94.6	Very high	95.1	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	8	171.5	77.8	-52.7	0	0	0	113.8	P926 P927 V929 R935 G938 S942 R1137	P926-D940 HydrophobicContact CB-CB 4.13Å; P926-D940 HydrophobicContact CG-CB 4.44Å; P927-D940 WeakPolarHBondContact CD-O 3.45Å; V929-D940 HydrophobicContact CG2-CB 4.09Å; R935-D940 HydrophobicContact CG-CB 4.18Å; G938-D940 PolarHBondContact O-N 3.24Å; G938-D940 VanDerWaalsContact O-N 3.11Å; D940-S942 PolarHBondContact O-N 2.92Å; D940-S942 VanDerWaalsContact O-N 3.08Å; D940-R1137 IonicContact OD2-NH1 2.66Å; D940-R1137 PolarHBondContact OD2-NH1 3.32Å
941	E	96.2	Very high	95.4	Very high	63 Å²	63	44.4 Å²	44.4	29%	0.294	24%	0.235	S	C	.	.			trans	-70.7	98.1	162.9	-172.4	-175.8	-111	0	0	110.4	Q903 G938 M939 R946	Q903-E941 PolarHBondContact NE2-O 3.38Å; Q903-E941 PolarHBondContact NE2-OE2 2.75Å; G938-E941 VanDerWaalsContact O-CB 3.28Å; G938-E941 WeakPolarHBondContact O-CB 3.3Å; G938-E941 PolarHBondContact O-N 2.83Å; M939-E941 VanDerWaalsContact C-N 3.33Å; E941-R946 HydrophobicContact CG-CB 4.06Å; E941-R946 WeakPolarHBondContact OE2-CB 3.44Å; E941-R946 WeakPolarHBondContact OE2-CD 3.4Å; E941-R946 WeakPolarHBondContact OE2-CG 3.31Å; E941-R946 IonicContact OE2-CZ 2.7Å; E941-R946 IonicContact OE2-NH1 3.7Å; E941-R946 PolarHBondContact OE2-NH1 3.4Å
942	S	97.8	Very high	95.5	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.028	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-64	150.4	166.8	63	0	0	0	0	111.9	S899 I901 D940 F944 K945 R946	S899-S942 WeakPolarHBondContact CA-OG 3.24Å; S899-S942 VanDerWaalsContact O-CB 3.26Å; S899-S942 WeakPolarHBondContact O-CB 3.32Å; S899-S942 PolarHBondContact O-OG 3.34Å; I901-S942 WeakPolarHBondContact O-CB 3.4Å; D940-S942 PolarHBondContact O-N 2.92Å; D940-S942 VanDerWaalsContact O-N 3.08Å; S942-F944 PolarHBondContact O-N 2.93Å; S942-F944 VanDerWaalsContact O-N 3.16Å; S942-K945 PolarHBondContact O-N 3.22Å; S942-K945 PolarHBondContact OG-N 2.88Å; S942-R946 PolarHBondContact O-N 2.79Å
943	L	98.1	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-30.8	176.4	-175	58.8	0	0	0	112.4	V730 Q903 C906 L907 L910 L918 L947	V730-L943 HydrophobicContact CB-CD1 4.33Å; V730-L943 HydrophobicContact CG1-CD1 3.43Å; V730-L943 VanDerWaalsContact CG1-CD1 3.43Å; V730-L943 HydrophobicContact CG2-CD1 3.95Å; Q903-L943 HydrophobicContact CG-CB 3.83Å; Q903-L943 HydrophobicContact CG-CD1 3.94Å; Q903-L943 HydrophobicContact CG-CG 4.46Å; C906-L943 HydrophobicContact CB-CB 3.75Å; C906-L943 HydrophobicContact CB-CD2 3.92Å; L907-L943 HydrophobicContact CD2-CD2 4.29Å; L907-L943 HydrophobicContact CG-CD2 4.41Å; L910-L943 HydrophobicContact CD1-CD2 3.69Å; L918-L943 HydrophobicContact CD1-CB 4.39Å; L918-L943 HydrophobicContact CD1-CD2 4.27Å; L918-L943 HydrophobicContact CD1-CG 3.96Å; L943-L947 HydrophobicContact CD1-CD1 3.98Å; L943-L947 HydrophobicContact CD1-CG 4.05Å; L943-L947 HydrophobicContact CG-CD1 4.06Å; L943-L947 HydrophobicContact CG-CG 4.48Å; L943-L947 WeakPolarHBondContact O-CG 3.38Å; L943-L947 PolarHBondContact O-N 3.02Å
944	F	98.1	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-47.3	172.2	-173.6	-78.4	0	0	0	111.6	L780 V782 A898 L918 S942 E948	L780-F944 HydrophobicContact CB-CE2 4.26Å; L780-F944 HydrophobicContact CB-CZ 4.42Å; V782-F944 HydrophobicContact CB-CZ 4.36Å; V782-F944 HydrophobicContact CG2-CE1 3.95Å; V782-F944 HydrophobicContact CG2-CZ 3.65Å; A898-F944 HydrophobicContact CB-CB 4.18Å; A898-F944 HydrophobicContact CB-CD2 4.21Å; L918-F944 HydrophobicContact CB-CD2 3.75Å; L918-F944 HydrophobicContact CB-CE2 4.43Å; L918-F944 WeakPolarHBondContact O-CE2 3.37Å; S942-F944 PolarHBondContact O-N 2.93Å; S942-F944 VanDerWaalsContact O-N 3.16Å; F944-E948 PolarHBondContact O-N 3.11Å
945	K	97.3	Very high	96.1	Very high	86 Å²	86	40.2 Å²	40.2	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-70.2	-38.9	-178.5	-178.6	59	-167.8	176.8	0	111.9	H922 S942 E948	H922-K945 HydrophobicContact CB-CD 3.85Å; S942-K945 PolarHBondContact O-N 3.22Å; S942-K945 PolarHBondContact OG-N 2.88Å; K945-E948 WeakPolarHBondContact CD-OE2 3.4Å; K945-E948 IonicContact NZ-OE2 2.86Å; K945-E948 PolarHBondContact NZ-OE2 3.33Å; K945-E948 VanDerWaalsContact O-CB 3.31Å; K945-E948 WeakPolarHBondContact O-CB 3.4Å; K945-E948 PolarHBondContact O-N 2.72Å
946	R	97.3	Very high	96.2	Very high	53 Å²	53	40 Å²	40	20%	0.2	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-52.3	176.9	-174.1	173.1	-176.3	76.5	5.7	112.3	V730 L733 E941 S942 E948 L949	V730-R946 PolarHBondContact O-NE 3.24Å; V730-R946 PolarHBondContact O-NH2 3.41Å; L733-R946 HydrophobicContact CD2-CG 4.28Å; E941-R946 HydrophobicContact CG-CB 4.06Å; E941-R946 WeakPolarHBondContact OE2-CB 3.44Å; E941-R946 WeakPolarHBondContact OE2-CD 3.4Å; E941-R946 WeakPolarHBondContact OE2-CG 3.31Å; E941-R946 IonicContact OE2-CZ 2.7Å; E941-R946 IonicContact OE2-NH1 3.7Å; E941-R946 PolarHBondContact OE2-NH1 3.4Å; S942-R946 PolarHBondContact O-N 2.79Å; R946-E948 PolarHBondContact O-N 2.93Å; R946-L949 WeakPolarHBondContact O-CD2 2.86Å
947	L	97.9	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-74.8	-9.2	-176.4	-63.3	177.9	0	0	0	113.4	L729 L733 F778 L780 F916 L918 L943 L949 H950	L729-L947 VanDerWaalsContact O-CD2 3.22Å; L729-L947 WeakPolarHBondContact O-CD2 3.35Å; L733-L947 HydrophobicContact CD2-CD2 4.35Å; F778-L947 HydrophobicContact CD2-CD1 4.48Å; F778-L947 HydrophobicContact CE1-CD1 4.36Å; F778-L947 HydrophobicContact CE1-CD2 4.3Å; F778-L947 HydrophobicContact CE2-CB 4.01Å; F778-L947 HydrophobicContact CE2-CD1 4.26Å; F778-L947 HydrophobicContact CZ-CB 4.05Å; F778-L947 HydrophobicContact CZ-CD1 4.19Å; F778-L947 HydrophobicContact CZ-CD2 4.07Å; F778-L947 HydrophobicContact CZ-CG 4.33Å; L780-L947 VanDerWaalsContact CD1-C 3.46Å; L780-L947 HydrophobicContact CD1-CB 3.88Å; L780-L947 WeakPolarHBondContact CD1-O 3.48Å; L780-L947 HydrophobicContact CD2-CB 4.28Å; F916-L947 HydrophobicContact CE2-CD1 3.77Å; F916-L947 HydrophobicContact CZ-CD1 3.92Å; L918-L947 HydrophobicContact CD1-CD1 4.11Å; L943-L947 HydrophobicContact CD1-CD1 3.98Å; L943-L947 HydrophobicContact CD1-CG 4.05Å; L943-L947 HydrophobicContact CG-CD1 4.06Å; L943-L947 HydrophobicContact CG-CG 4.48Å; L943-L947 WeakPolarHBondContact O-CG 3.38Å; L943-L947 PolarHBondContact O-N 3.02Å; L947-L949 PolarHBondContact O-N 2.67Å; L947-H950 WeakPolarHBondContact O-CB 3.43Å; L947-H950 PolarHBondContact O-N 2.77Å; L947-H950 VanDerWaalsContact O-N 3.08Å
948	E	96.1	Very high	96.5	Very high	25 Å²	25	33.9 Å²	33.9	12%	0.117	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.6	-178.1	-162.3	174.1	-119.1	0	0	113.8	L780 H922 F944 K945 R946 H950 V954	L780-E948 HydrophobicContact CD1-CB 4.45Å; H922-E948 IonicContact CE1-OE1 3.85Å; H922-E948 PolarHBondContact CE1-OE1 3.27Å; H922-E948 VanDerWaalsContact CE1-OE1 3.24Å; H922-E948 IonicContact CE1-OE2 3.67Å; H922-E948 PolarHBondContact CE1-OE2 2.78Å; H922-E948 IonicContact CG-OE1 3.78Å; H922-E948 IonicContact CG-OE2 3.98Å; H922-E948 IonicContact ND1-OE1 3.48Å; H922-E948 PolarHBondContact ND1-OE1 3.23Å; H922-E948 IonicContact ND1-OE2 2.64Å; H922-E948 PolarHBondContact ND1-OE2 2.84Å; H922-E948 IonicContact NE2-OE2 2.78Å; F944-E948 PolarHBondContact O-N 3.11Å; K945-E948 WeakPolarHBondContact CD-OE2 3.4Å; K945-E948 IonicContact NZ-OE2 2.86Å; K945-E948 PolarHBondContact NZ-OE2 3.33Å; K945-E948 VanDerWaalsContact O-CB 3.31Å; K945-E948 WeakPolarHBondContact O-CB 3.4Å; K945-E948 PolarHBondContact O-N 2.72Å; R946-E948 PolarHBondContact O-N 2.93Å; E948-H950 PolarHBondContact O-N 3.11Å; E948-V954 HydrophobicContact CG-CG2 4Å
949	L	95.7	Very high	96.5	Very high	103 Å²	103	33.4 Å²	33.4	54%	0.539	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.6	169.8	76.8	90.6	0	0	0	112.1	L733 R946 L947 S951	L733-L949 HydrophobicContact CD1-CD2 3.84Å; L733-L949 HydrophobicContact CD2-CD2 4.13Å; L733-L949 HydrophobicContact CG-CD2 4.4Å; R946-L949 WeakPolarHBondContact O-CD2 2.86Å; L947-L949 PolarHBondContact O-N 2.67Å; L949-S951 PolarHBondContact O-N 3.35Å
950	H	96.1	Very high	96.5	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.028	17%	0.17	C	C	.	.			trans	-76.9	70.4	171.6	-64	-70	0	0	0	110.3	L733 P736 F778 L947 E948 E952 A953	L733-H950 PolarHBondContact O-CE1 3.09Å; L733-H950 VanDerWaalsContact O-CE1 3.28Å; L733-H950 PolarHBondContact O-NE2 3.47Å; P736-H950 HydrophobicContact CG-CB 4.24Å; F778-H950 HydrophobicContact CE2-CB 4.47Å; F778-H950 HydrophobicContact CZ-CB 4.23Å; F778-H950 AromaticContact CZ-CD2 3.84Å; L947-H950 WeakPolarHBondContact O-CB 3.43Å; L947-H950 PolarHBondContact O-N 2.77Å; L947-H950 VanDerWaalsContact O-N 3.08Å; E948-H950 PolarHBondContact O-N 3.11Å; H950-E952 VanDerWaalsContact CA-OE2 3.25Å; H950-E952 WeakPolarHBondContact CA-OE2 3.49Å; H950-E952 WeakPolarHBondContact CB-OE1 3.3Å; H950-E952 IonicContact CG-OE1 2.67Å; H950-E952 IonicContact ND1-OE1 3.45Å; H950-E952 PolarHBondContact ND1-OE1 2.78Å; H950-E952 PolarHBondContact O-N 3.17Å; H950-E952 VanDerWaalsContact O-N 3.1Å; H950-A953 HydrophobicContact CB-CB 4.18Å; H950-A953 WeakPolarHBondContact O-CA 3.44Å; H950-A953 WeakPolarHBondContact O-CB 3.35Å; H950-A953 PolarHBondContact O-N 3.45Å
951	S	94.1	Very high	96.5	Very high	90 Å²	90	36.4 Å²	36.4	63%	0.629	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-51.3	-32.9	178.7	67.5	0	0	0	0	112.7	L949 A953 V954	L949-S951 PolarHBondContact O-N 3.35Å; S951-A953 PolarHBondContact O-N 2.81Å; S951-V954 PolarHBondContact O-N 2.68Å; S951-V954 VanDerWaalsContact O-N 3.14Å
952	E	93.9	Very high	96.5	Very high	78 Å²	78	34.8 Å²	34.8	36%	0.364	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-61.8	-21.8	174.8	70.5	-78.4	-174.6	0	0	113.5	F738 K771 H950	F738-E952 HydrophobicContact CE2-CG 4.48Å; K771-E952 WeakPolarHBondContact CE-O 3.18Å; K771-E952 PolarHBondContact NZ-O 3.02Å; H950-E952 VanDerWaalsContact CA-OE2 3.25Å; H950-E952 WeakPolarHBondContact CA-OE2 3.49Å; H950-E952 WeakPolarHBondContact CB-OE1 3.3Å; H950-E952 IonicContact CG-OE1 2.67Å; H950-E952 IonicContact ND1-OE1 3.45Å; H950-E952 PolarHBondContact ND1-OE1 2.78Å; H950-E952 PolarHBondContact O-N 3.17Å; H950-E952 VanDerWaalsContact O-N 3.1Å
953	A	96.1	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-97.8	-8.4	177.6	0	0	0	0	0	114.1	P736 F738 F778 L780 H950 S951	P736-A953 HydrophobicContact CG-CB 3.67Å; F738-A953 HydrophobicContact CE2-CB 4.3Å; F738-A953 HydrophobicContact CZ-CB 3.9Å; F778-A953 HydrophobicContact CD2-CB 4.14Å; F778-A953 HydrophobicContact CE2-CB 3.76Å; L780-A953 PolarHBondContact N-O 2.75Å; H950-A953 HydrophobicContact CB-CB 4.18Å; H950-A953 WeakPolarHBondContact O-CA 3.44Å; H950-A953 WeakPolarHBondContact O-CB 3.35Å; H950-A953 PolarHBondContact O-N 3.45Å; S951-A953 PolarHBondContact O-N 2.81Å
954	V	97.6	Very high	96.4	Very high	28 Å²	28	34.7 Å²	34.7	17%	0.17	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.6	-176.6	179	0	0	0	0	111.1	L780 V782 E948 S951 Q956	L780-V954 HydrophobicContact CB-CG2 4.25Å; L780-V954 HydrophobicContact CD1-CG2 4.08Å; L780-V954 CarbonylContact O-C 3.21Å; L780-V954 WeakPolarHBondContact O-CA 3.37Å; V782-V954 HydrophobicContact CG2-CG1 3.79Å; E948-V954 HydrophobicContact CG-CG2 4Å; S951-V954 PolarHBondContact O-N 2.68Å; S951-V954 VanDerWaalsContact O-N 3.14Å; V954-Q956 HydrophobicContact CG1-CG 4.07Å
955	V	97.5	Very high	96.3	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.1	163.7	-173.9	0	0	0	0	109.1	Q767 A768 K771 L780 I781 V782	Q767-V955 HydrophobicContact CB-CG1 4.27Å; Q767-V955 HydrophobicContact CG-CG1 3.99Å; Q767-V955 HydrophobicContact CG-CG2 4.49Å; A768-V955 HydrophobicContact CB-CB 4.34Å; A768-V955 HydrophobicContact CB-CG1 3.97Å; K771-V955 HydrophobicContact CB-CG2 3.73Å; K771-V955 HydrophobicContact CG-CG2 3.78Å; L780-V955 PolarHBondContact O-N 2.8Å; I781-V955 WeakPolarHBondContact CA-O 3.37Å; V782-V955 PolarHBondContact N-O 3.45Å
956	Q	96.5	Very high	96.2	Very high	75 Å²	75	36.9 Å²	36.9	35%	0.35	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.3	176.9	-57.9	-166.3	-23.5	0	0	110.2	V782 M784 V954	V782-Q956 HydrophobicContact CB-CB 4.49Å; V782-Q956 HydrophobicContact CB-CG 4.14Å; V782-Q956 HydrophobicContact CG2-CG 4.36Å; M784-Q956 HydrophobicContact CE-CB 4.27Å; V954-Q956 HydrophobicContact CG1-CG 4.07Å
957	L	97.1	Very high	96.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.2	164.2	-50.7	-179.3	0	0	0	107.3	P764 Q765 A768 I781 V782 M784 T787 T792	P764-L957 HydrophobicContact CB-CD2 3.93Å; Q765-L957 HydrophobicContact CG-CD2 4.08Å; A768-L957 HydrophobicContact CB-CD2 4.29Å; I781-L957 HydrophobicContact CG2-CD1 3.81Å; I781-L957 HydrophobicContact CG2-CD2 4.35Å; I781-L957 HydrophobicContact CG2-CG 3.85Å; V782-L957 PolarHBondContact O-N 2.81Å; M784-L957 VanDerWaalsContact CG-O 3.28Å; M784-L957 WeakPolarHBondContact CG-O 3.44Å; T787-L957 HydrophobicContact CG2-CB 4.26Å; T787-L957 WeakPolarHBondContact CG2-O 3.28Å; T792-L957 HydrophobicContact CG2-CD1 4.04Å
958	N	96.1	Very high	96.1	Very high	27 Å²	27	35.3 Å²	35.3	14%	0.144	18%	0.184	C	C	.	.			trans	-122.3	-24.5	-175.7	76.3	-45	0	0	0	113.9	P764 M784 Q960 R979 L980 E981	P764-N958 WeakPolarHBondContact CG-OD1 3.29Å; M784-N958 HydrophobicContact SD-CB 4.29Å; N958-Q960 PolarHBondContact O-N 3.07Å; N958-R979 VanDerWaalsContact CB-O 3.31Å; N958-R979 WeakPolarHBondContact CB-O 3.46Å; N958-R979 PolarHBondContact ND2-O 3.29Å; N958-L980 WeakPolarHBondContact O-CA 3.26Å; N958-L980 WeakPolarHBondContact O-CD2 3.07Å; N958-E981 PolarHBondContact ND2-OE1 3.28Å; N958-E981 PolarHBondContact O-N 3.34Å; N958-E981 VanDerWaalsContact O-N 3.08Å
959	V	97	Very high	96	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115	175.5	-177.5	0	0	0	0	110.7	P764 T787 Y961 E981	P764-V959 HydrophobicContact CG-CG2 4.23Å; T787-V959 WeakPolarHBondContact CA-O 3.47Å; V959-Y961 HydrophobicContact CG1-CE2 4.06Å; V959-Y961 WeakPolarHBondContact CG1-OH 3.31Å; V959-E981 CarbonylContact C-O 3.6Å; V959-E981 WeakPolarHBondContact CA-O 3.31Å; V959-E981 HydrophobicContact CG2-CB 4.35Å
960	Q	95.4	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.4	-172.3	72.2	77.6	25.7	0	0	114.1	P785 T787 N958 M963 M968 L980 E981 C982 G983	P785-Q960 VanDerWaalsContact O-CB 3.31Å; P785-Q960 WeakPolarHBondContact O-CB 3.34Å; T787-Q960 HydrophobicContact CG2-CB 4.01Å; N958-Q960 PolarHBondContact O-N 3.07Å; Q960-M963 HydrophobicContact CG-CE 4.05Å; Q960-M963 PolarHBondContact NE2-O 2.87Å; Q960-M968 HydrophobicContact CG-CG 4.39Å; Q960-M968 HydrophobicContact CG-SD 3.74Å; Q960-M968 PolarHBondContact NE2-SD 2.99Å; Q960-L980 HydrophobicContact CB-CD2 4.41Å; Q960-L980 HydrophobicContact CG-CD2 4.39Å; Q960-E981 PolarHBondContact N-O 2.7Å; Q960-C982 PolarHBondContact NE2-SG 3.43Å; Q960-G983 PolarHBondContact O-N 3.34Å
961	Y	95.2	Very high	95.8	Very high	104 Å²	104	30.3 Å²	30.3	41%	0.408	16%	0.161	S	C	.	.	S	Bend	trans	-126.5	24.7	-171.1	-57	-88.6	0	0	0	113.3	N762 G786 V959 G983	N762-Y961 PolarHBondContact ND2-OH 3.08Å; G786-Y961 PolarHBondContact O-N 3.49Å; V959-Y961 HydrophobicContact CG1-CE2 4.06Å; V959-Y961 WeakPolarHBondContact CG1-OH 3.31Å; Y961-G983 WeakPolarHBondContact CE1-O 3.46Å
962	R	95	Very high	95.8	Very high	28 Å²	28	27 Å²	27	11%	0.106	14%	0.136	C	C	.	.	S	Bend	trans	-115	-57.1	-175.2	175.8	-172.5	-74.8	-177.5	-10	112.6	R1110 D1111 T1144 R1145 K1147	R962-R1110 PolarHBondContact NH2-O 3.36Å; R962-D1111 HydrophobicContact CG-CB 4.37Å; R962-D1111 IonicContact CZ-OD2 3.45Å; R962-D1111 IonicContact NE-OD2 2.7Å; R962-D1111 PolarHBondContact NE-OD2 3.36Å; R962-D1111 IonicContact NH2-OD2 2.97Å; R962-D1111 PolarHBondContact NH2-OD2 3.23Å; R962-T1144 VanDerWaalsContact CD-O 3.26Å; R962-T1144 WeakPolarHBondContact CD-O 3.42Å; R962-T1144 PolarHBondContact NH1-O 3.49Å; R962-R1145 VanDerWaalsContact NH1-CZ 3.34Å; R962-K1147 HydrophobicContact CG-CG 3.86Å; R962-K1147 VanDerWaalsContact O-CA 3.28Å; R962-K1147 WeakPolarHBondContact O-CA 3.34Å; R962-K1147 WeakPolarHBondContact O-CB 3.33Å; R962-K1147 WeakPolarHBondContact O-CG 3.34Å
963	M	97	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-95.7	140.2	-165.8	-60.2	169.3	-64.9	0	0	109.9	P785 Q960 I967 M968 L980 T987 T1144 A1146	P785-M963 HydrophobicContact CB-CE 4.33Å; Q960-M963 HydrophobicContact CG-CE 4.05Å; Q960-M963 PolarHBondContact NE2-O 2.87Å; M963-I967 HydrophobicContact CB-CB 4.19Å; M963-I967 HydrophobicContact CB-CG2 3.92Å; M963-I967 HydrophobicContact CG-CG2 3.85Å; M963-I967 HydrophobicContact SD-CG2 4.13Å; M963-M968 HydrophobicContact CB-CB 4.19Å; M963-M968 HydrophobicContact CE-CB 4.4Å; M963-M968 HydrophobicContact CE-CG 4.25Å; M963-L980 HydrophobicContact CE-CD1 4.27Å; M963-T987 WeakPolarHBondContact O-CG2 3.34Å; M963-T1144 HydrophobicContact SD-CG2 3.84Å; M963-A1146 WeakPolarHBondContact CG-O 3.49Å
964	N	96.9	Very high	95.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.011	14%	0.135	C	C	.	.			trans	-66.8	167.8	164.3	65.5	30.4	0	0	0	112.1	Q966 I967 M968 T987 A988 A990 P1028 K1147 H1148	N964-Q966 VanDerWaalsContact C-N 3.32Å; N964-Q966 PolarHBondContact O-N 3.21Å; N964-I967 PolarHBondContact O-N 2.85Å; N964-I967 WeakPolarHBondContact OD1-CB 3.46Å; N964-I967 WeakPolarHBondContact OD1-CD1 3.45Å; N964-I967 VanDerWaalsContact OD1-CG1 3.26Å; N964-I967 WeakPolarHBondContact OD1-CG1 3.45Å; N964-I967 PolarHBondContact OD1-N 2.83Å; N964-I967 VanDerWaalsContact OD1-N 3.12Å; N964-M968 WeakPolarHBondContact O-CB 3.29Å; N964-M968 PolarHBondContact O-N 2.98Å; N964-T987 VanDerWaalsContact CA-O 3.3Å; N964-T987 WeakPolarHBondContact CA-O 3.16Å; N964-A988 WeakPolarHBondContact CB-O 3.36Å; N964-A990 HydrophobicContact CB-CB 4.49Å; N964-A990 WeakPolarHBondContact CB-O 3.47Å; N964-A990 PolarHBondContact ND2-O 3.24Å; N964-P1028 WeakPolarHBondContact ND2-CB 3.36Å; N964-K1147 PolarHBondContact N-O 3Å; N964-K1147 VanDerWaalsContact N-O 3.13Å; N964-H1148 PolarHBondContact ND2-O 3.07Å
965	S	96.2	Very high	94.8	Very high	59 Å²	59	25.3 Å²	25.3	41%	0.413	13%	0.131	S	C	.	.	H	α-helix	trans	-56.8	-42.4	-170.9	56.6	0	0	0	0	113	M968 S969 A988	S965-M968 PolarHBondContact O-N 3.11Å; S965-S969 PolarHBondContact O-N 2.93Å; S965-A988 PolarHBondContact N-O 3.27Å; S965-A988 PolarHBondContact OG-O 2.91Å
966	Q	95.6	Very high	94.5	Very high	74 Å²	74	25.4 Å²	25.4	35%	0.346	13%	0.131	S	C	.	.	H	α-helix	trans	-68.6	-44.9	179.8	-74.1	177.5	-38	0	0	112.6	N964 M968 S969 P1028 V1029 M1177	N964-Q966 VanDerWaalsContact C-N 3.32Å; N964-Q966 PolarHBondContact O-N 3.21Å; Q966-M968 VanDerWaalsContact C-N 3.33Å; Q966-M968 PolarHBondContact O-N 2.93Å; Q966-S969 WeakPolarHBondContact O-CB 3.42Å; Q966-S969 PolarHBondContact O-N 2.96Å; Q966-S969 PolarHBondContact O-OG 2.85Å; Q966-P1028 HydrophobicContact CB-CB 4.42Å; Q966-P1028 VanDerWaalsContact OE1-CG 3.22Å; Q966-V1029 HydrophobicContact CB-CG2 4.27Å; Q966-M1177 HydrophobicContact CB-CE 3.87Å; Q966-M1177 HydrophobicContact CG-CE 3.87Å
967	I	96.4	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-40.5	175.4	-66.7	166.2	0	0	0	110.5	M963 N964 S969 L970 P1028 V1029 A1146 L1150	M963-I967 HydrophobicContact CB-CB 4.19Å; M963-I967 HydrophobicContact CB-CG2 3.92Å; M963-I967 HydrophobicContact CG-CG2 3.85Å; M963-I967 HydrophobicContact SD-CG2 4.13Å; N964-I967 PolarHBondContact O-N 2.85Å; N964-I967 WeakPolarHBondContact OD1-CB 3.46Å; N964-I967 WeakPolarHBondContact OD1-CD1 3.45Å; N964-I967 VanDerWaalsContact OD1-CG1 3.26Å; N964-I967 WeakPolarHBondContact OD1-CG1 3.45Å; N964-I967 PolarHBondContact OD1-N 2.83Å; N964-I967 VanDerWaalsContact OD1-N 3.12Å; I967-S969 VanDerWaalsContact C-N 3.31Å; I967-S969 PolarHBondContact O-N 3.1Å; I967-L970 WeakPolarHBondContact O-CB 3.48Å; I967-L970 PolarHBondContact O-N 2.87Å; I967-P1028 HydrophobicContact CD1-CB 4.46Å; I967-P1028 HydrophobicContact CG1-CB 4.43Å; I967-V1029 HydrophobicContact CG1-CG2 3.73Å; I967-A1146 HydrophobicContact CD1-CB 3.96Å; I967-A1146 HydrophobicContact CG2-CB 4.24Å; I967-L1150 HydrophobicContact CD1-CB 4.39Å; I967-L1150 HydrophobicContact CG1-CB 4.31Å
968	M	96.4	Very high	94.1	Very high	20 Å²	20	29.6 Å²	29.6	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-36.3	175.7	-173.2	-177	76.2	0	0	112.4	Q960 M963 N964 S965 Q966 L970 S971 N972 L980 C982	Q960-M968 HydrophobicContact CG-CG 4.39Å; Q960-M968 HydrophobicContact CG-SD 3.74Å; Q960-M968 PolarHBondContact NE2-SD 2.99Å; M963-M968 HydrophobicContact CB-CB 4.19Å; M963-M968 HydrophobicContact CE-CB 4.4Å; M963-M968 HydrophobicContact CE-CG 4.25Å; N964-M968 WeakPolarHBondContact O-CB 3.29Å; N964-M968 PolarHBondContact O-N 2.98Å; S965-M968 PolarHBondContact O-N 3.11Å; Q966-M968 VanDerWaalsContact C-N 3.33Å; Q966-M968 PolarHBondContact O-N 2.93Å; M968-L970 PolarHBondContact O-N 2.8Å; M968-S971 PolarHBondContact O-N 2.88Å; M968-N972 PolarHBondContact O-N 2.89Å; M968-L980 VanDerWaalsContact CE-O 3.24Å; M968-L980 WeakPolarHBondContact CE-O 3.46Å; M968-L980 HydrophobicContact CG-CB 3.83Å; M968-L980 HydrophobicContact CG-CD1 4.28Å; M968-L980 HydrophobicContact SD-CB 3.79Å; M968-C982 VanDerWaalsContact SD-SG 3.66Å
969	S	95.2	Very high	94	Very high	29 Å²	29	33.7 Å²	33.7	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-35.5	179.6	82	0	0	0	0	112.7	S965 Q966 I967 N972 S973 H1171	S965-S969 PolarHBondContact O-N 2.93Å; Q966-S969 WeakPolarHBondContact O-CB 3.42Å; Q966-S969 PolarHBondContact O-N 2.96Å; Q966-S969 PolarHBondContact O-OG 2.85Å; I967-S969 VanDerWaalsContact C-N 3.31Å; I967-S969 PolarHBondContact O-N 3.1Å; S969-N972 PolarHBondContact O-N 2.83Å; S969-S973 VanDerWaalsContact O-CB 3.31Å; S969-S973 WeakPolarHBondContact O-CB 3.34Å; S969-S973 PolarHBondContact O-N 2.91Å; S969-H1171 PolarHBondContact OG-NE2 2.84Å; S969-H1171 VanDerWaalsContact OG-NE2 3.16Å
970	L	93.9	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-51.7	179.3	-53.9	178.9	0	0	0	110.7	I967 M968 S973 L974 V1029 V1143 L1150 L1168 L1172 M1177	I967-L970 WeakPolarHBondContact O-CB 3.48Å; I967-L970 PolarHBondContact O-N 2.87Å; M968-L970 PolarHBondContact O-N 2.8Å; L970-S973 PolarHBondContact O-N 2.92Å; L970-L974 VanDerWaalsContact O-CB 3.25Å; L970-L974 WeakPolarHBondContact O-CB 3.36Å; L970-L974 WeakPolarHBondContact O-CG 3.42Å; L970-L974 PolarHBondContact O-N 2.58Å; L970-V1029 HydrophobicContact CD1-CG1 3.93Å; L970-V1029 HydrophobicContact CD1-CG2 4.02Å; L970-V1029 HydrophobicContact CD2-CG1 4.41Å; L970-V1143 HydrophobicContact CB-CG1 3.85Å; L970-V1143 HydrophobicContact CD1-CG1 3.77Å; L970-V1143 HydrophobicContact CG-CG1 4.45Å; L970-L1150 HydrophobicContact CD1-CD2 3.77Å; L970-L1168 HydrophobicContact CB-CD1 4.49Å; L970-L1168 HydrophobicContact CD2-CD1 4.14Å; L970-L1172 HydrophobicContact CD2-CD2 3.82Å; L970-M1177 HydrophobicContact CD2-SD 4.33Å
971	S	93	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71	-31.6	179	-74.1	0	0	0	0	113.3	M968 M975 Y976 N1140 T1144	M968-S971 PolarHBondContact O-N 2.88Å; S971-M975 PolarHBondContact O-N 3.03Å; S971-Y976 WeakPolarHBondContact O-CD2 3.01Å; S971-Y976 PolarHBondContact O-N 3.17Å; S971-N1140 PolarHBondContact OG-OD1 2.91Å; S971-T1144 WeakPolarHBondContact OG-CG2 3.42Å
972	N	94.2	Very high	94.1	Very high	19 Å²	19	34.8 Å²	34.8	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-42.3	173.9	-102.1	-8.9	0	0	0	112.5	M968 S969 D977 G978 R979 L980	M968-N972 PolarHBondContact O-N 2.89Å; S969-N972 PolarHBondContact O-N 2.83Å; N972-D977 PolarHBondContact O-N 3.25Å; N972-D977 VanDerWaalsContact O-N 3.16Å; N972-G978 VanDerWaalsContact CG-C 3.44Å; N972-G978 VanDerWaalsContact CG-CA 3.41Å; N972-G978 PolarHBondContact ND2-O 3.38Å; N972-G978 PolarHBondContact O-N 3.34Å; N972-G978 VanDerWaalsContact O-N 3.13Å; N972-G978 VanDerWaalsContact OD1-C 3.24Å; N972-R979 PolarHBondContact OD1-N 3.34Å; N972-L980 PolarHBondContact ND2-O 3.13Å; N972-L980 WeakPolarHBondContact OD1-CB 3.47Å; N972-L980 PolarHBondContact OD1-N 3.45Å
973	S	89.8	Confident	94	Very high	42 Å²	42	34.7 Å²	34.7	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-68.3	-43.1	174.8	179.2	0	0	0	0	111.6	S969 L970 K1167 H1171	S969-S973 VanDerWaalsContact O-CB 3.31Å; S969-S973 WeakPolarHBondContact O-CB 3.34Å; S969-S973 PolarHBondContact O-N 2.91Å; L970-S973 PolarHBondContact O-N 2.92Å; S973-K1167 WeakPolarHBondContact O-CE 3.32Å; S973-K1167 PolarHBondContact O-NZ 3.24Å; S973-H1171 WeakPolarHBondContact CB-ND1 3.39Å; S973-H1171 PolarHBondContact OG-ND1 3.15Å
974	L	86.6	Confident	93.9	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-54.6	-177.8	-75.2	174.1	0	0	0	113.7	L970 L1139 K1167 L1168	L970-L974 VanDerWaalsContact O-CB 3.25Å; L970-L974 WeakPolarHBondContact O-CB 3.36Å; L970-L974 WeakPolarHBondContact O-CG 3.42Å; L970-L974 PolarHBondContact O-N 2.58Å; L974-L1139 HydrophobicContact CD1-CD2 4.41Å; L974-K1167 HydrophobicContact CD2-CB 3.96Å; L974-K1167 HydrophobicContact CD2-CD 4.05Å; L974-K1167 HydrophobicContact CD2-CG 3.93Å; L974-K1167 PolarHBondContact O-NZ 2.7Å; L974-L1168 HydrophobicContact CD1-CB 4.32Å; L974-L1168 HydrophobicContact CD1-CD1 4.23Å; L974-L1168 HydrophobicContact CD2-CB 4.1Å
975	M	89.1	Confident	93.9	Very high	20 Å²	20	43.7 Å²	43.7	10%	0.099	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-25.8	-158.7	-49.1	-47.4	175.4	0	0	116.5	Q923 S971 W1136 N1140	Q923-M975 PolarHBondContact OE1-O 3.46Å; S971-M975 PolarHBondContact O-N 3.03Å; M975-W1136 HydrophobicContact CE-CB 3.7Å; M975-W1136 HydrophobicContact CE-CE3 3.94Å; M975-W1136 HydrophobicContact CE-CG 4.49Å; M975-W1136 WeakPolarHBondContact CE-O 3.43Å; M975-W1136 HydrophobicContact CG-CE3 4.24Å; M975-W1136 HydrophobicContact CG-CZ3 4.42Å; M975-W1136 HydrophobicContact SD-CB 4.34Å; M975-W1136 HydrophobicContact SD-CD2 4.22Å; M975-W1136 HydrophobicContact SD-CE3 3.51Å; M975-W1136 VanDerWaalsContact SD-CE3 3.51Å; M975-W1136 HydrophobicContact SD-CZ3 4.11Å; M975-N1140 HydrophobicContact CE-CB 4.03Å; M975-N1140 HydrophobicContact CG-CB 3.84Å
976	Y	92.4	Very high	93.8	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.024	27%	0.268	C	S	.	.	S	Bend	trans	-112.5	13.1	-168.9	-59.5	-75.1	0	0	0	114.4	M784 P785 D921 Q923 S971 G978 R979 L980 N1140	M784-Y976 HydrophobicContact CB-CD1 4.46Å; M784-Y976 HydrophobicContact CB-CE1 4.07Å; M784-Y976 HydrophobicContact CE-CD1 4.01Å; M784-Y976 HydrophobicContact CG-CD1 3.92Å; M784-Y976 HydrophobicContact CG-CE1 3.77Å; M784-Y976 HydrophobicContact SD-CD1 3.65Å; M784-Y976 HydrophobicContact SD-CE1 4.15Å; M784-Y976 HydrophobicContact SD-CG 4.26Å; P785-Y976 WeakPolarHBondContact CD-OH 3.39Å; P785-Y976 HydrophobicContact CG-CE2 4.24Å; P785-Y976 WeakPolarHBondContact CG-OH 3.42Å; D921-Y976 PolarHBondContact OD2-OH 3.35Å; Q923-Y976 HydrophobicContact CB-CD1 4.5Å; Q923-Y976 HydrophobicContact CB-CE1 3.58Å; Q923-Y976 WeakPolarHBondContact CB-OH 3.46Å; Q923-Y976 HydrophobicContact CG-CD1 4.28Å; Q923-Y976 HydrophobicContact CG-CE1 3.75Å; S971-Y976 WeakPolarHBondContact O-CD2 3.01Å; S971-Y976 PolarHBondContact O-N 3.17Å; Y976-G978 VanDerWaalsContact C-N 3.27Å; Y976-G978 PolarHBondContact O-N 3.28Å; Y976-G978 VanDerWaalsContact O-N 3.16Å; Y976-R979 WeakPolarHBondContact O-CB 3.3Å; Y976-R979 WeakPolarHBondContact O-CD 3.36Å; Y976-R979 WeakPolarHBondContact O-CG 3.48Å; Y976-R979 PolarHBondContact O-N 3.05Å; Y976-L980 HydrophobicContact CD2-CD1 3.57Å; Y976-L980 HydrophobicContact CD2-CG 4.25Å; Y976-L980 HydrophobicContact CE2-CD1 4.1Å; Y976-L980 HydrophobicContact CG-CD1 4.08Å; Y976-L980 HydrophobicContact CG-CG 4.25Å; Y976-N1140 WeakPolarHBondContact CE2-ND2 3.49Å; Y976-N1140 PolarHBondContact OH-ND2 2.9Å
977	D	90.4	Very high	93.7	Very high	115 Å²	115	48.7 Å²	48.7	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	41.6	175.9	-42.6	-41.4	0	0	0	114.4	N972 R979	N972-D977 PolarHBondContact O-N 3.25Å; N972-D977 VanDerWaalsContact O-N 3.16Å; D977-R979 PolarHBondContact O-N 3.29Å; D977-R979 IonicContact OD2-CZ 2.65Å; D977-R979 IonicContact OD2-NE 3.96Å; D977-R979 PolarHBondContact OD2-NE 2.98Å; D977-R979 IonicContact OD2-NH2 3.02Å; D977-R979 PolarHBondContact OD2-NH2 3.09Å
978	G	93.3	Very high	93.7	Very high	51 Å²	51	49.3 Å²	49.3	53%	0.526	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-1.9	-177.2	0	0	0	0	0	116.1	N972 Y976 L980	N972-G978 VanDerWaalsContact CG-C 3.44Å; N972-G978 VanDerWaalsContact CG-CA 3.41Å; N972-G978 PolarHBondContact ND2-O 3.38Å; N972-G978 PolarHBondContact O-N 3.34Å; N972-G978 VanDerWaalsContact O-N 3.13Å; N972-G978 VanDerWaalsContact OD1-C 3.24Å; Y976-G978 VanDerWaalsContact C-N 3.27Å; Y976-G978 PolarHBondContact O-N 3.28Å; Y976-G978 VanDerWaalsContact O-N 3.16Å; G978-L980 PolarHBondContact O-N 3.47Å
979	R	94.6	Very high	93.7	Very high	114 Å²	114	51.6 Å²	51.6	43%	0.43	28%	0.28	S	S	.	.			trans	-68.7	-24.3	-170.5	-60.3	170.1	-149.1	-146	4.2	114.8	N958 N972 Y976 D977	N958-R979 VanDerWaalsContact CB-O 3.31Å; N958-R979 WeakPolarHBondContact CB-O 3.46Å; N958-R979 PolarHBondContact ND2-O 3.29Å; N972-R979 PolarHBondContact OD1-N 3.34Å; Y976-R979 WeakPolarHBondContact O-CB 3.3Å; Y976-R979 WeakPolarHBondContact O-CD 3.36Å; Y976-R979 WeakPolarHBondContact O-CG 3.48Å; Y976-R979 PolarHBondContact O-N 3.05Å; D977-R979 PolarHBondContact O-N 3.29Å; D977-R979 IonicContact OD2-CZ 2.65Å; D977-R979 IonicContact OD2-NE 3.96Å; D977-R979 PolarHBondContact OD2-NE 2.98Å; D977-R979 IonicContact OD2-NH2 3.02Å; D977-R979 PolarHBondContact OD2-NH2 3.09Å
980	L	96	Very high	93.7	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.278	C	S	.	.			trans	-70.1	134.4	179.5	-70.1	167.6	0	0	0	111.5	M784 T787 N958 Q960 M963 M968 N972 Y976 G978	M784-L980 HydrophobicContact CB-CD2 3.64Å; M784-L980 HydrophobicContact CG-CD2 4.33Å; M784-L980 HydrophobicContact SD-CD2 3.71Å; M784-L980 HydrophobicContact SD-CG 4.18Å; T787-L980 HydrophobicContact CG2-CD2 4.32Å; N958-L980 WeakPolarHBondContact O-CA 3.26Å; N958-L980 WeakPolarHBondContact O-CD2 3.07Å; Q960-L980 HydrophobicContact CB-CD2 4.41Å; Q960-L980 HydrophobicContact CG-CD2 4.39Å; M963-L980 HydrophobicContact CE-CD1 4.27Å; M968-L980 VanDerWaalsContact CE-O 3.24Å; M968-L980 WeakPolarHBondContact CE-O 3.46Å; M968-L980 HydrophobicContact CG-CB 3.83Å; M968-L980 HydrophobicContact CG-CD1 4.28Å; M968-L980 HydrophobicContact SD-CB 3.79Å; N972-L980 PolarHBondContact ND2-O 3.13Å; N972-L980 WeakPolarHBondContact OD1-CB 3.47Å; N972-L980 PolarHBondContact OD1-N 3.45Å; Y976-L980 HydrophobicContact CD2-CD1 3.57Å; Y976-L980 HydrophobicContact CD2-CG 4.25Å; Y976-L980 HydrophobicContact CE2-CD1 4.1Å; Y976-L980 HydrophobicContact CG-CD1 4.08Å; Y976-L980 HydrophobicContact CG-CG 4.25Å; G978-L980 PolarHBondContact O-N 3.47Å
981	E	96.6	Very high	93.8	Very high	104 Å²	104	55.2 Å²	55.2	49%	0.486	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138	179.6	-67.5	170.2	-137	0	0	110.9	N958 V959 Q960 G983	N958-E981 PolarHBondContact ND2-OE1 3.28Å; N958-E981 PolarHBondContact O-N 3.34Å; N958-E981 VanDerWaalsContact O-N 3.08Å; V959-E981 CarbonylContact C-O 3.6Å; V959-E981 WeakPolarHBondContact CA-O 3.31Å; V959-E981 HydrophobicContact CG2-CB 4.35Å; Q960-E981 PolarHBondContact N-O 2.7Å; E981-G983 PolarHBondContact O-N 3.19Å
982	C	96.7	Very high	93.8	Very high	35 Å²	35	55.6 Å²	55.6	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	117.5	170.7	-71.6	0	0	0	0	110.5	Q960 M968 S984 A988	Q960-C982 PolarHBondContact NE2-SG 3.43Å; M968-C982 VanDerWaalsContact SD-SG 3.66Å; C982-S984 PolarHBondContact O-N 2.89Å; C982-S984 VanDerWaalsContact O-N 3.1Å; C982-A988 HydrophobicContact CB-CB 3.8Å
983	G	94.3	Very high	93.7	Very high	26 Å²	26	60.3 Å²	60.3	27%	0.268	33%	0.331	S	S	.	.	S	Bend	trans	-72.7	0.6	-175.7	0	0	0	0	0	116.5	Q960 Y961 E981	Q960-G983 PolarHBondContact O-N 3.34Å; Y961-G983 WeakPolarHBondContact CE1-O 3.46Å; E981-G983 PolarHBondContact O-N 3.19Å
984	S	94.9	Very high	93.9	Very high	50 Å²	50	59 Å²	59	35%	0.35	32%	0.321	S	S	.	.	S	Bend	trans	-163.1	155.9	164.5	71	0	0	0	0	110.5	C982 R986 T987 A988	C982-S984 PolarHBondContact O-N 2.89Å; C982-S984 VanDerWaalsContact O-N 3.1Å; S984-R986 PolarHBondContact O-N 3.28Å; S984-T987 WeakPolarHBondContact O-CA 3.04Å; S984-T987 VanDerWaalsContact O-CB 3.3Å; S984-T987 WeakPolarHBondContact O-CB 3.44Å; S984-T987 PolarHBondContact O-N 3.45Å; S984-T987 PolarHBondContact OG-N 3.16Å; S984-T987 VanDerWaalsContact OG-N 3.12Å; S984-T987 PolarHBondContact OG-OG1 3.17Å; S984-A988 PolarHBondContact O-N 3.34Å
985	E	95.6	Very high	94.2	Very high	140 Å²	140	63.1 Å²	63.1	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-60.3	-35.5	173.4	-173	48.8	-128.6	0	0	112	T987 A988 S989	E985-T987 PolarHBondContact O-N 3.05Å; E985-A988 PolarHBondContact O-N 2.89Å; E985-A988 VanDerWaalsContact O-N 3.09Å; E985-S989 PolarHBondContact O-N 2.94Å; E985-S989 PolarHBondContact O-OG 2.87Å
986	R	94.9	Very high	94.3	Very high	220 Å²	220	64.8 Å²	64.8	83%	0.83	36%	0.362	S	S	*	.	H	α-helix	trans	-58.6	-30.7	171.9	-179.5	179.5	177.4	-172	1.8	112.8	S984 A990	S984-R986 PolarHBondContact O-N 3.28Å; R986-A990 WeakPolarHBondContact O-CB 3.46Å
987	T	94.5	Very high	94.2	Very high	19 Å²	19	65.1 Å²	65.1	12%	0.117	36%	0.364	C	S	.	.	H	α-helix	trans	-76.6	-47.1	172.8	-53.4	0	0	0	0	110.1	M963 N964 S984 E985 S989 A990	M963-T987 WeakPolarHBondContact O-CG2 3.34Å; N964-T987 VanDerWaalsContact CA-O 3.3Å; N964-T987 WeakPolarHBondContact CA-O 3.16Å; S984-T987 WeakPolarHBondContact O-CA 3.04Å; S984-T987 VanDerWaalsContact O-CB 3.3Å; S984-T987 WeakPolarHBondContact O-CB 3.44Å; S984-T987 PolarHBondContact O-N 3.45Å; S984-T987 PolarHBondContact OG-N 3.16Å; S984-T987 VanDerWaalsContact OG-N 3.12Å; S984-T987 PolarHBondContact OG-OG1 3.17Å; E985-T987 PolarHBondContact O-N 3.05Å; T987-S989 VanDerWaalsContact C-N 3.3Å; T987-S989 PolarHBondContact O-N 2.85Å; T987-A990 WeakPolarHBondContact O-CB 3.47Å; T987-A990 PolarHBondContact O-N 2.86Å
988	A	95.6	Very high	94.2	Very high	13 Å²	13	63.6 Å²	63.6	11%	0.107	36%	0.36	C	S	.	.	H	α-helix	trans	-58.5	-39.3	-177.5	0	0	0	0	0	113.3	N964 S965 C982 S984 E985	N964-A988 WeakPolarHBondContact CB-O 3.36Å; S965-A988 PolarHBondContact N-O 3.27Å; S965-A988 PolarHBondContact OG-O 2.91Å; C982-A988 HydrophobicContact CB-CB 3.8Å; S984-A988 PolarHBondContact O-N 3.34Å; E985-A988 PolarHBondContact O-N 2.89Å; E985-A988 VanDerWaalsContact O-N 3.09Å
989	S	95.9	Very high	94	Very high	67 Å²	67	64.6 Å²	64.6	47%	0.469	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	9.3	-178	57	0	0	0	0	115	E985 T987 L991	E985-S989 PolarHBondContact O-N 2.94Å; E985-S989 PolarHBondContact O-OG 2.87Å; T987-S989 VanDerWaalsContact C-N 3.3Å; T987-S989 PolarHBondContact O-N 2.85Å; S989-L991 PolarHBondContact O-N 3.19Å; S989-L991 VanDerWaalsContact O-N 3.17Å
990	A	95.6	Very high	93.7	Very high	21 Å²	21	59.2 Å²	59.2	17%	0.174	34%	0.339	C	S	.	.			trans	-71.2	109.2	-173.3	0	0	0	0	0	113.5	N964 R986 T987	N964-A990 HydrophobicContact CB-CB 4.49Å; N964-A990 WeakPolarHBondContact CB-O 3.47Å; N964-A990 PolarHBondContact ND2-O 3.24Å; R986-A990 WeakPolarHBondContact O-CB 3.46Å; T987-A990 WeakPolarHBondContact O-CB 3.47Å; T987-A990 PolarHBondContact O-N 2.86Å
991	L	95.4	Very high	93.2	Very high	84 Å²	84	61.7 Å²	61.7	44%	0.44	35%	0.35	S	S	.	.			trans	-102.7	163	177.1	-51.6	-174.1	0	0	0	112.7	S989 T993 P1025 P1028	S989-L991 PolarHBondContact O-N 3.19Å; S989-L991 VanDerWaalsContact O-N 3.17Å; L991-T993 PolarHBondContact O-N 2.95Å; L991-P1025 HydrophobicContact CB-CB 4.2Å; L991-P1028 HydrophobicContact CD2-CG 3.7Å
992	L	94.3	Very high	92.7	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.042	35%	0.354	C	S	.	.			trans	-76.1	117.9	-179.5	-174.7	67.4	0	0	0	111.2	L994 P1025 L1064 L1114 H1148 K1149	L992-L994 HydrophobicContact CD2-CD1 4.28Å; L992-L994 HydrophobicContact CD2-CD2 3.97Å; L992-L994 HydrophobicContact CD2-CG 4.18Å; L992-L994 HydrophobicContact CG-CD2 4.11Å; L992-L994 HydrophobicContact CG-CG 4.17Å; L992-L994 PolarHBondContact O-N 3.04Å; L992-P1025 WeakPolarHBondContact O-CB 3.39Å; L992-P1025 WeakPolarHBondContact O-CG 3.47Å; L992-L1064 HydrophobicContact CD2-CD2 4.42Å; L992-L1114 HydrophobicContact CD2-CB 4.5Å; L992-H1148 HydrophobicContact CB-CB 4.15Å; L992-H1148 HydrophobicContact CD1-CB 4.41Å; L992-K1149 HydrophobicContact CB-CB 4.24Å; L992-K1149 HydrophobicContact CD2-CB 4.12Å; L992-K1149 HydrophobicContact CD2-CD 4.14Å
993	T	92.4	Very high	92.1	Very high	119 Å²	119	61.9 Å²	61.9	73%	0.73	36%	0.357	S	S	*	.			trans	-72.2	114.3	176.6	-44.4	0	0	0	0	111.2	L991	L991-T993 PolarHBondContact O-N 2.95Å
994	L	93	Very high	91.5	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.073	34%	0.344	C	S	.	.			trans	-126.2	85.5	177	-63.4	-179.9	0	0	0	110	L992 S996 L997 P1025 L1064 A1067 C1069	L992-L994 HydrophobicContact CD2-CD1 4.28Å; L992-L994 HydrophobicContact CD2-CD2 3.97Å; L992-L994 HydrophobicContact CD2-CG 4.18Å; L992-L994 HydrophobicContact CG-CD2 4.11Å; L992-L994 HydrophobicContact CG-CG 4.17Å; L992-L994 PolarHBondContact O-N 3.04Å; L994-S996 VanDerWaalsContact C-N 3.3Å; L994-S996 PolarHBondContact O-N 2.7Å; L994-L997 HydrophobicContact CB-CB 3.86Å; L994-L997 HydrophobicContact CB-CD2 4.5Å; L994-L997 HydrophobicContact CD1-CD1 4.27Å; L994-L997 HydrophobicContact CD1-CD2 4.43Å; L994-L997 WeakPolarHBondContact O-CB 3.27Å; L994-L997 PolarHBondContact O-N 3.2Å; L994-P1025 HydrophobicContact CD1-CG 4.12Å; L994-P1025 HydrophobicContact CG-CG 4.39Å; L994-L1064 HydrophobicContact CD1-CD2 3.82Å; L994-L1064 HydrophobicContact CD2-CD2 4.36Å; L994-A1067 CarbonylContact C-O 3.57Å; L994-A1067 WeakPolarHBondContact CA-O 3.28Å; L994-A1067 HydrophobicContact CB-CB 4.2Å; L994-A1067 HydrophobicContact CD1-CB 4.29Å; L994-A1067 HydrophobicContact CD2-CB 4.25Å; L994-A1067 HydrophobicContact CG-CB 4.49Å; L994-C1069 HydrophobicContact CD2-CB 3.71Å
995	P	92.1	Very high	90.9	Very high	96 Å²	96	61 Å²	61	62%	0.623	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.9	-171.4	26.6	-35.7	0	0	0	114.2	A1067	P995-A1067 WeakPolarHBondContact CD-O 3.46Å
996	S	92.2	Very high	90.2	Very high	54 Å²	54	57.1 Å²	57.1	38%	0.378	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	7.8	-178.6	-50.8	0	0	0	0	113	L994 P998 S999 V1000 K1066 A1067	L994-S996 VanDerWaalsContact C-N 3.3Å; L994-S996 PolarHBondContact O-N 2.7Å; S996-P998 VanDerWaalsContact C-CD 3.46Å; S996-S999 WeakPolarHBondContact O-CB 3.49Å; S996-S999 PolarHBondContact O-N 3.26Å; S996-S999 VanDerWaalsContact O-N 3.17Å; S996-V1000 PolarHBondContact O-N 3.23Å; S996-K1066 WeakPolarHBondContact CB-O 3.4Å; S996-A1067 PolarHBondContact N-O 3.24Å
997	L	90.6	Very high	89.3	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-53.8	-41.9	-178.2	-179	65.4	0	0	0	114.2	L994 S999 V1000 Q1001 L1023 P1025 A1067	L994-L997 HydrophobicContact CB-CB 3.86Å; L994-L997 HydrophobicContact CB-CD2 4.5Å; L994-L997 HydrophobicContact CD1-CD1 4.27Å; L994-L997 HydrophobicContact CD1-CD2 4.43Å; L994-L997 WeakPolarHBondContact O-CB 3.27Å; L994-L997 PolarHBondContact O-N 3.2Å; L997-S999 VanDerWaalsContact C-N 3.27Å; L997-S999 PolarHBondContact O-N 2.97Å; L997-V1000 PolarHBondContact O-N 3.24Å; L997-Q1001 HydrophobicContact CD1-CG 4.07Å; L997-Q1001 HydrophobicContact CG-CG 4.15Å; L997-Q1001 WeakPolarHBondContact O-CG 3.38Å; L997-Q1001 PolarHBondContact O-N 3.17Å; L997-L1023 HydrophobicContact CD1-CB 4.13Å; L997-P1025 VanDerWaalsContact CD2-CD 3.43Å; L997-P1025 HydrophobicContact CD2-CG 4.01Å; L997-A1067 HydrophobicContact CB-CB 4.36Å; L997-A1067 HydrophobicContact CD1-CB 4.29Å
998	P	90.7	Very high	88.5	Confident	82 Å²	82	49.6 Å²	49.6	53%	0.532	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-37.4	179.3	-25.6	36.1	0	0	0	112.9	S996 Q1001 S1002	S996-P998 VanDerWaalsContact C-CD 3.46Å; P998-Q1001 PolarHBondContact O-N 3.48Å; P998-S1002 PolarHBondContact O-N 3.46Å; P998-S1002 PolarHBondContact O-OG 2.91Å
999	S	88.9	Confident	87.5	Confident	72 Å²	72	55.7 Å²	55.7	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-46.7	176.9	-164.2	0	0	0	0	111.3	S996 L997 Q1001 S1002 E1003	S996-S999 WeakPolarHBondContact O-CB 3.49Å; S996-S999 PolarHBondContact O-N 3.26Å; S996-S999 VanDerWaalsContact O-N 3.17Å; L997-S999 VanDerWaalsContact C-N 3.27Å; L997-S999 PolarHBondContact O-N 2.97Å; S999-Q1001 VanDerWaalsContact C-N 3.3Å; S999-Q1001 PolarHBondContact O-N 3.38Å; S999-S1002 PolarHBondContact O-N 2.82Å; S999-E1003 WeakPolarHBondContact O-CG 3.24Å; S999-E1003 PolarHBondContact O-N 2.95Å
1000	V	86.8	Confident	86.4	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-33.6	177.3	-179.7	0	0	0	0	111.5	S996 L997 L1004 L1023 L1063 K1066 A1067	S996-V1000 PolarHBondContact O-N 3.23Å; L997-V1000 PolarHBondContact O-N 3.24Å; V1000-L1004 HydrophobicContact CG1-CD1 4.09Å; V1000-L1004 WeakPolarHBondContact O-CB 3.43Å; V1000-L1004 VanDerWaalsContact O-CG 3.26Å; V1000-L1004 WeakPolarHBondContact O-CG 3.16Å; V1000-L1004 PolarHBondContact O-N 3.49Å; V1000-L1023 HydrophobicContact CG1-CD1 4.24Å; V1000-L1063 HydrophobicContact CG1-CB 4.45Å; V1000-L1063 HydrophobicContact CG1-CD2 3.75Å; V1000-K1066 HydrophobicContact CG2-CB 4.16Å; V1000-K1066 HydrophobicContact CG2-CD 4.29Å; V1000-K1066 HydrophobicContact CG2-CG 3.94Å; V1000-A1067 HydrophobicContact CG2-CB 4.1Å
1001	Q	86.6	Confident	85.2	Confident	56 Å²	56	61.6 Å²	61.6	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-67.8	-43.3	173.9	-74	175.5	-43.2	0	0	112	L997 P998 S999 L1004 T1005	L997-Q1001 HydrophobicContact CD1-CG 4.07Å; L997-Q1001 HydrophobicContact CG-CG 4.15Å; L997-Q1001 WeakPolarHBondContact O-CG 3.38Å; L997-Q1001 PolarHBondContact O-N 3.17Å; P998-Q1001 PolarHBondContact O-N 3.48Å; S999-Q1001 VanDerWaalsContact C-N 3.3Å; S999-Q1001 PolarHBondContact O-N 3.38Å; Q1001-L1004 PolarHBondContact O-N 3.36Å; Q1001-T1005 PolarHBondContact O-N 3.27Å; Q1001-T1005 PolarHBondContact O-OG1 3.09Å; Q1001-T1005 VanDerWaalsContact O-OG1 3.13Å
1002	S	85	Confident	83.9	Confident	82 Å²	82	62.2 Å²	62.2	57%	0.573	37%	0.368	S	S	*	.	H	α-helix	trans	-61.2	-42.5	174.3	-65.1	0	0	0	0	112.5	P998 S999 T1005 S1006	P998-S1002 PolarHBondContact O-N 3.46Å; P998-S1002 PolarHBondContact O-OG 2.91Å; S999-S1002 PolarHBondContact O-N 2.82Å; S1002-T1005 PolarHBondContact O-N 3.29Å; S1002-S1006 WeakPolarHBondContact O-CB 3.44Å; S1002-S1006 PolarHBondContact O-N 2.99Å
1003	E	84.4	Confident	82.7	Confident	62 Å²	62	68.3 Å²	68.3	29%	0.29	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-48.8	172.8	-71.3	176.4	175.4	0	0	111.8	S999 T1005 S1006 C1007 K1066	S999-E1003 WeakPolarHBondContact O-CG 3.24Å; S999-E1003 PolarHBondContact O-N 2.95Å; E1003-T1005 PolarHBondContact O-N 3.13Å; E1003-S1006 PolarHBondContact O-N 2.9Å; E1003-C1007 PolarHBondContact O-N 3.34Å; E1003-C1007 PolarHBondContact O-SG 2.97Å; E1003-C1007 VanDerWaalsContact O-SG 3.42Å; E1003-K1066 VanDerWaalsContact OE1-CE 3.31Å; E1003-K1066 WeakPolarHBondContact OE1-CE 3.5Å; E1003-K1066 IonicContact OE1-NZ 2.66Å; E1003-K1066 PolarHBondContact OE1-NZ 3.03Å; E1003-K1066 WeakPolarHBondContact OE2-CE 3.39Å; E1003-K1066 IonicContact OE2-NZ 3.12Å; E1003-K1066 PolarHBondContact OE2-NZ 3.12Å
1004	L	82.8	Confident	81.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-40.1	179.5	-75.9	168.1	0	0	0	112.6	V1000 Q1001 C1007 S1008 L1016 L1019 Q1020 L1023 M1192	V1000-L1004 HydrophobicContact CG1-CD1 4.09Å; V1000-L1004 WeakPolarHBondContact O-CB 3.43Å; V1000-L1004 VanDerWaalsContact O-CG 3.26Å; V1000-L1004 WeakPolarHBondContact O-CG 3.16Å; V1000-L1004 PolarHBondContact O-N 3.49Å; Q1001-L1004 PolarHBondContact O-N 3.36Å; L1004-C1007 PolarHBondContact O-N 3.48Å; L1004-S1008 WeakPolarHBondContact O-CB 3.07Å; L1004-S1008 PolarHBondContact O-N 3.28Å; L1004-L1016 HydrophobicContact CD2-CD1 4.11Å; L1004-L1019 HydrophobicContact CD1-CG 4.42Å; L1004-L1019 HydrophobicContact CD2-CD2 3.7Å; L1004-L1019 HydrophobicContact CD2-CG 4.29Å; L1004-Q1020 HydrophobicContact CB-CG 4.29Å; L1004-Q1020 HydrophobicContact CD1-CG 4.3Å; L1004-L1023 HydrophobicContact CD1-CD1 3.52Å; L1004-M1192 HydrophobicContact CD2-CE 3.78Å; L1004-M1192 HydrophobicContact CD2-SD 4.05Å
1005	T	82.6	Confident	80.8	Confident	56 Å²	56	66.2 Å²	66.2	34%	0.344	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-46.9	175.3	-62	0	0	0	0	110.9	Q1001 S1002 E1003 C1007 S1008 E1009 Q1020	Q1001-T1005 PolarHBondContact O-N 3.27Å; Q1001-T1005 PolarHBondContact O-OG1 3.09Å; Q1001-T1005 VanDerWaalsContact O-OG1 3.13Å; S1002-T1005 PolarHBondContact O-N 3.29Å; E1003-T1005 PolarHBondContact O-N 3.13Å; T1005-C1007 VanDerWaalsContact C-N 3.32Å; T1005-C1007 PolarHBondContact O-N 3.27Å; T1005-S1008 CarbonylContact O-C 3.58Å; T1005-S1008 WeakPolarHBondContact O-CA 3.41Å; T1005-S1008 WeakPolarHBondContact O-CB 3.29Å; T1005-S1008 PolarHBondContact O-N 3.38Å; T1005-E1009 HydrophobicContact CG2-CG 4.47Å; T1005-E1009 WeakPolarHBondContact O-CG 3.22Å; T1005-E1009 PolarHBondContact O-N 3.34Å; T1005-Q1020 PolarHBondContact OG1-NE2 3.01Å; T1005-Q1020 VanDerWaalsContact OG1-NE2 3.1Å
1006	S	80.9	Confident	80.3	Confident	60 Å²	60	61.9 Å²	61.9	42%	0.42	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-36.7	177.1	-172.6	0	0	0	0	112.8	S1002 E1003 S1008 E1009 T1010	S1002-S1006 WeakPolarHBondContact O-CB 3.44Å; S1002-S1006 PolarHBondContact O-N 2.99Å; E1003-S1006 PolarHBondContact O-N 2.9Å; S1006-S1008 VanDerWaalsContact C-N 3.34Å; S1006-E1009 PolarHBondContact O-N 3.22Å; S1006-T1010 WeakPolarHBondContact O-CB 3.43Å; S1006-T1010 WeakPolarHBondContact O-CG2 3.43Å; S1006-T1010 PolarHBondContact O-N 2.86Å; S1006-T1010 PolarHBondContact O-OG1 3.01Å
1007	C	75.7	Confident	79.9	Confident	42 Å²	42	62.5 Å²	62.5	28%	0.284	36%	0.356	S	S	.	.	H	α-helix	trans	-66.9	-32.2	171	-72	0	0	0	0	113.1	E1003 L1004 T1005 T1010 R1011 L1016 M1192	E1003-C1007 PolarHBondContact O-N 3.34Å; E1003-C1007 PolarHBondContact O-SG 2.97Å; E1003-C1007 VanDerWaalsContact O-SG 3.42Å; L1004-C1007 PolarHBondContact O-N 3.48Å; T1005-C1007 VanDerWaalsContact C-N 3.32Å; T1005-C1007 PolarHBondContact O-N 3.27Å; C1007-T1010 WeakPolarHBondContact CA-OG1 3.37Å; C1007-T1010 PolarHBondContact O-OG1 2.95Å; C1007-R1011 WeakPolarHBondContact O-CB 3.24Å; C1007-R1011 PolarHBondContact O-N 3.49Å; C1007-L1016 HydrophobicContact CB-CD1 3.87Å; C1007-M1192 HydrophobicContact CB-CE 4.32Å
1008	S	76.6	Confident	79.8	Confident	38 Å²	38	62.1 Å²	62.1	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-74.3	-36.4	175.8	-162.2	0	0	0	0	112.4	L1004 T1005 S1006 R1011 P1012	L1004-S1008 WeakPolarHBondContact O-CB 3.07Å; L1004-S1008 PolarHBondContact O-N 3.28Å; T1005-S1008 CarbonylContact O-C 3.58Å; T1005-S1008 WeakPolarHBondContact O-CA 3.41Å; T1005-S1008 WeakPolarHBondContact O-CB 3.29Å; T1005-S1008 PolarHBondContact O-N 3.38Å; S1006-S1008 VanDerWaalsContact C-N 3.34Å; S1008-R1011 CarbonylContact O-C 3.37Å; S1008-P1012 WeakPolarHBondContact O-CA 3.36Å; S1008-P1012 VanDerWaalsContact O-N 3.14Å
1009	E	75.9	Confident	79.6	Confident	142 Å²	142	58.2 Å²	58.2	66%	0.664	33%	0.329	S	S	*	.	H	α-helix	trans	-66.8	-43.2	174.4	-71.3	167.2	175.8	0	0	111.7	T1005 S1006	T1005-E1009 HydrophobicContact CG2-CG 4.47Å; T1005-E1009 WeakPolarHBondContact O-CG 3.22Å; T1005-E1009 PolarHBondContact O-N 3.34Å; S1006-E1009 PolarHBondContact O-N 3.22Å
1010	T	72	Confident	79.5	Confident	98 Å²	98	57.5 Å²	57.5	60%	0.601	32%	0.317	S	S	*	.	H	α-helix	trans	-78.4	-16.9	179.4	53	0	0	0	0	113.8	S1006 C1007	S1006-T1010 WeakPolarHBondContact O-CB 3.43Å; S1006-T1010 WeakPolarHBondContact O-CG2 3.43Å; S1006-T1010 PolarHBondContact O-N 2.86Å; S1006-T1010 PolarHBondContact O-OG1 3.01Å; C1007-T1010 WeakPolarHBondContact CA-OG1 3.37Å; C1007-T1010 PolarHBondContact O-OG1 2.95Å
1011	R	71.2	Confident	79.6	Confident	113 Å²	113	58.8 Å²	58.8	43%	0.426	33%	0.328	S	S	.	.			trans	-144	66.9	179.6	-56.1	-174	-173.3	-162	4.4	112.1	C1007 S1008 Q1013 L1014	C1007-R1011 WeakPolarHBondContact O-CB 3.24Å; C1007-R1011 PolarHBondContact O-N 3.49Å; S1008-R1011 CarbonylContact O-C 3.37Å; R1011-Q1013 PolarHBondContact O-N 2.84Å; R1011-L1014 HydrophobicContact CB-CD1 3.97Å; R1011-L1014 PolarHBondContact O-N 2.58Å
1012	P	67.6	Low	79.7	Confident	97 Å²	97	56.1 Å²	56.1	63%	0.63	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-57.2	-23.2	-177.7	22.9	-34.7	0	0	0	114.1	S1008 L1014	S1008-P1012 WeakPolarHBondContact O-CA 3.36Å; S1008-P1012 VanDerWaalsContact O-N 3.14Å; P1012-L1014 PolarHBondContact O-N 3.17Å; P1012-L1014 VanDerWaalsContact O-N 3.15Å
1013	Q	68.3	Low	80	Confident	137 Å²	137	52.2 Å²	52.2	64%	0.64	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-67.4	-2.6	175.5	70	-83.5	16.5	0	0	115.8	R1011	R1011-Q1013 PolarHBondContact O-N 2.84Å
1014	L	69.1	Low	80.4	Confident	22 Å²	22	52 Å²	52	12%	0.115	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-105.2	-8.5	-175.5	-87.6	169	0	0	0	116	R1011 P1012 L1016 K1187 A1188	R1011-L1014 HydrophobicContact CB-CD1 3.97Å; R1011-L1014 PolarHBondContact O-N 2.58Å; P1012-L1014 PolarHBondContact O-N 3.17Å; P1012-L1014 VanDerWaalsContact O-N 3.15Å; L1014-L1016 HydrophobicContact CB-CD2 4.47Å; L1014-K1187 HydrophobicContact CD2-CB 4.39Å; L1014-A1188 HydrophobicContact CD2-CB 4.22Å
1015	D	76.4	Confident	80.9	Confident	67 Å²	67	53.1 Å²	53.1	36%	0.358	30%	0.296	S	S	.	.			trans	33.6	89.2	-178.8	179.6	19.9	0	0	0	114.8	S1017 W1018 P1182	D1015-S1017 VanDerWaalsContact OD1-CB 3.26Å; D1015-S1017 WeakPolarHBondContact OD1-CB 3.35Å; D1015-S1017 PolarHBondContact OD1-N 3.17Å; D1015-S1017 VanDerWaalsContact OD1-N 3.13Å; D1015-S1017 PolarHBondContact OD1-OG 3Å; D1015-W1018 PolarHBondContact O-NE1 3.07Å; D1015-P1182 HydrophobicContact CB-CB 4.43Å; D1015-P1182 HydrophobicContact CB-CG 4.15Å
1016	L	82.2	Confident	81.3	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	30%	0.303	C	S	.	.			trans	-93.9	8.9	-180	-55.7	-179.3	0	0	0	113.2	L1004 C1007 L1014 W1018 L1019 Q1020 A1188	L1004-L1016 HydrophobicContact CD2-CD1 4.11Å; C1007-L1016 HydrophobicContact CB-CD1 3.87Å; L1014-L1016 HydrophobicContact CB-CD2 4.47Å; L1016-W1018 PolarHBondContact O-N 2.76Å; L1016-L1019 HydrophobicContact CD2-CD2 4.46Å; L1016-L1019 WeakPolarHBondContact O-CB 3.36Å; L1016-L1019 PolarHBondContact O-N 2.83Å; L1016-L1019 VanDerWaalsContact O-N 3.13Å; L1016-Q1020 PolarHBondContact O-N 3.42Å; L1016-Q1020 VanDerWaalsContact O-N 3.09Å; L1016-A1188 HydrophobicContact CD2-CB 4.29Å
1017	S	83.7	Confident	81.9	Confident	67 Å²	67	53.5 Å²	53.5	47%	0.469	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-43.8	-175.9	65.2	0	0	0	0	112.6	D1015 L1019 Q1020 A1021	D1015-S1017 VanDerWaalsContact OD1-CB 3.26Å; D1015-S1017 WeakPolarHBondContact OD1-CB 3.35Å; D1015-S1017 PolarHBondContact OD1-N 3.17Å; D1015-S1017 VanDerWaalsContact OD1-N 3.13Å; D1015-S1017 PolarHBondContact OD1-OG 3Å; S1017-L1019 PolarHBondContact O-N 3.35Å; S1017-Q1020 PolarHBondContact O-N 2.77Å; S1017-A1021 WeakPolarHBondContact O-CB 2.95Å; S1017-A1021 PolarHBondContact O-N 3.29Å
1018	W	87.8	Confident	82.8	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.019	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-34.5	175	69	-89	0	0	0	112.5	D1015 L1016 A1022 L1032 L1056 M1059 I1179 L1181 P1182 A1185	D1015-W1018 PolarHBondContact O-NE1 3.07Å; L1016-W1018 PolarHBondContact O-N 2.76Å; W1018-A1022 VanDerWaalsContact O-CB 3.27Å; W1018-A1022 WeakPolarHBondContact O-CB 3.43Å; W1018-A1022 PolarHBondContact O-N 2.87Å; W1018-L1032 HydrophobicContact CE3-CD1 4.29Å; W1018-L1032 HydrophobicContact CZ3-CD1 4.01Å; W1018-L1056 HydrophobicContact CH2-CD2 4.16Å; W1018-M1059 HydrophobicContact CH2-CE 4.31Å; W1018-M1059 HydrophobicContact CH2-SD 4.15Å; W1018-M1059 HydrophobicContact CZ2-CE 4.44Å; W1018-I1179 HydrophobicContact CB-CG2 3.58Å; W1018-L1181 HydrophobicContact CB-CD2 4.48Å; W1018-L1181 HydrophobicContact CD2-CD2 3.42Å; W1018-L1181 VanDerWaalsContact CD2-CD2 3.42Å; W1018-L1181 HydrophobicContact CE3-CD2 3.26Å; W1018-L1181 HydrophobicContact CG-CD2 3.97Å; W1018-L1181 HydrophobicContact CH2-CD2 4.19Å; W1018-L1181 HydrophobicContact CZ2-CD2 4.34Å; W1018-L1181 HydrophobicContact CZ3-CD2 3.68Å; W1018-P1182 VanDerWaalsContact CD1-CD 3.41Å; W1018-A1185 HydrophobicContact CZ2-CB 4.07Å
1019	L	87	Confident	83.8	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-77.4	-42.9	-176.4	-176.2	55.5	0	0	0	110.5	L1004 L1016 S1017 A1021 A1022 L1023 M1059 M1060 L1063	L1004-L1019 HydrophobicContact CD1-CG 4.42Å; L1004-L1019 HydrophobicContact CD2-CD2 3.7Å; L1004-L1019 HydrophobicContact CD2-CG 4.29Å; L1016-L1019 HydrophobicContact CD2-CD2 4.46Å; L1016-L1019 WeakPolarHBondContact O-CB 3.36Å; L1016-L1019 PolarHBondContact O-N 2.83Å; L1016-L1019 VanDerWaalsContact O-N 3.13Å; S1017-L1019 PolarHBondContact O-N 3.35Å; L1019-A1021 VanDerWaalsContact C-N 3.34Å; L1019-A1021 PolarHBondContact O-N 2.81Å; L1019-A1022 PolarHBondContact O-N 2.83Å; L1019-L1023 HydrophobicContact CG-CD1 4.5Å; L1019-L1023 VanDerWaalsContact O-CG 3.25Å; L1019-L1023 WeakPolarHBondContact O-CG 3.17Å; L1019-L1023 PolarHBondContact O-N 3.3Å; L1019-M1059 HydrophobicContact CD1-SD 4.23Å; L1019-M1059 HydrophobicContact CD2-SD 3.81Å; L1019-M1060 HydrophobicContact CD1-CG 4.45Å; L1019-L1063 HydrophobicContact CD1-CD1 3.85Å; L1019-L1063 HydrophobicContact CD2-CD1 3.73Å; L1019-L1063 HydrophobicContact CG-CD1 4.08Å
1020	Q	86.2	Confident	84.8	Confident	56 Å²	56	43.3 Å²	43.3	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-47.8	169.2	-67	-177	-13.5	0	0	110.9	L1004 T1005 L1016 S1017 A1022 L1023 L1024	L1004-Q1020 HydrophobicContact CB-CG 4.29Å; L1004-Q1020 HydrophobicContact CD1-CG 4.3Å; T1005-Q1020 PolarHBondContact OG1-NE2 3.01Å; T1005-Q1020 VanDerWaalsContact OG1-NE2 3.1Å; L1016-Q1020 PolarHBondContact O-N 3.42Å; L1016-Q1020 VanDerWaalsContact O-N 3.09Å; S1017-Q1020 PolarHBondContact O-N 2.77Å; Q1020-A1022 PolarHBondContact O-N 2.92Å; Q1020-L1023 PolarHBondContact O-N 3.36Å; Q1020-L1024 WeakPolarHBondContact O-CG 3.35Å; Q1020-L1024 PolarHBondContact O-N 3.33Å
1021	A	89	Confident	86	Confident	28 Å²	28	38.7 Å²	38.7	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-37.5	178.5	0	0	0	0	0	113.5	S1017 L1019 N1027 I1179	S1017-A1021 WeakPolarHBondContact O-CB 2.95Å; S1017-A1021 PolarHBondContact O-N 3.29Å; L1019-A1021 VanDerWaalsContact C-N 3.34Å; L1019-A1021 PolarHBondContact O-N 2.81Å; A1021-N1027 PolarHBondContact O-ND2 3.32Å; A1021-I1179 HydrophobicContact CB-CD1 4.06Å
1022	A	90.3	Very high	87.1	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-73.3	-30.7	178.3	0	0	0	0	0	113.4	W1018 L1019 Q1020 L1032 M1060 K1149 I1179	W1018-A1022 VanDerWaalsContact O-CB 3.27Å; W1018-A1022 WeakPolarHBondContact O-CB 3.43Å; W1018-A1022 PolarHBondContact O-N 2.87Å; L1019-A1022 PolarHBondContact O-N 2.83Å; Q1020-A1022 PolarHBondContact O-N 2.92Å; A1022-L1032 HydrophobicContact CB-CD2 4.09Å; A1022-M1060 HydrophobicContact CB-CE 3.62Å; A1022-K1149 PolarHBondContact O-NZ 3.23Å; A1022-I1179 HydrophobicContact CB-CD1 4.29Å
1023	L	91.1	Very high	88.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-73.8	-31.8	177.5	-70.5	172.5	0	0	0	113	L997 V1000 L1004 L1019 Q1020 P1025 L1063 L1064	L997-L1023 HydrophobicContact CD1-CB 4.13Å; V1000-L1023 HydrophobicContact CG1-CD1 4.24Å; L1004-L1023 HydrophobicContact CD1-CD1 3.52Å; L1019-L1023 HydrophobicContact CG-CD1 4.5Å; L1019-L1023 VanDerWaalsContact O-CG 3.25Å; L1019-L1023 WeakPolarHBondContact O-CG 3.17Å; L1019-L1023 PolarHBondContact O-N 3.3Å; Q1020-L1023 PolarHBondContact O-N 3.36Å; L1023-P1025 WeakPolarHBondContact O-CD 3.2Å; L1023-L1063 HydrophobicContact CD1-CB 4.33Å; L1023-L1063 HydrophobicContact CD2-CB 4.09Å; L1023-L1064 HydrophobicContact CD2-CD1 4.41Å; L1023-L1064 HydrophobicContact CD2-CD2 3.53Å; L1023-L1064 HydrophobicContact CD2-CG 3.56Å
1024	L	92.3	Very high	89.6	Confident	57 Å²	57	22.9 Å²	22.9	30%	0.298	14%	0.136	S	C	.	.			trans	-52.9	124.6	-176.2	-80.2	173.5	0	0	0	113.3	Q1020 S1026 N1027 K1149	Q1020-L1024 WeakPolarHBondContact O-CG 3.35Å; Q1020-L1024 PolarHBondContact O-N 3.33Å; L1024-S1026 PolarHBondContact O-N 3Å; L1024-N1027 PolarHBondContact O-N 2.86Å; L1024-N1027 VanDerWaalsContact O-N 3.09Å; L1024-K1149 WeakPolarHBondContact O-CE 3.36Å; L1024-K1149 PolarHBondContact O-NZ 3.25Å
1025	P	92.4	Very high	90.6	Very high	24 Å²	24	24 Å²	24	16%	0.156	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.5	174	-28.1	36.7	0	0	0	114.4	L991 L992 L994 L997 L1023 N1027 P1028	L991-P1025 HydrophobicContact CB-CB 4.2Å; L992-P1025 WeakPolarHBondContact O-CB 3.39Å; L992-P1025 WeakPolarHBondContact O-CG 3.47Å; L994-P1025 HydrophobicContact CD1-CG 4.12Å; L994-P1025 HydrophobicContact CG-CG 4.39Å; L997-P1025 VanDerWaalsContact CD2-CD 3.43Å; L997-P1025 HydrophobicContact CD2-CG 4.01Å; L1023-P1025 WeakPolarHBondContact O-CD 3.2Å; P1025-N1027 PolarHBondContact O-N 2.93Å; P1025-P1028 WeakPolarHBondContact O-CD 3.24Å
1026	S	92	Very high	91.2	Very high	68 Å²	68	26.6 Å²	26.6	48%	0.476	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.7	174.6	58.8	0	0	0	0	114	L1024 P1028	L1024-S1026 PolarHBondContact O-N 3Å; S1026-P1028 WeakPolarHBondContact O-CD 3.27Å
1027	N	93.4	Very high	91.4	Very high	55 Å²	55	27 Å²	27	29%	0.294	16%	0.156	S	C	.	.			trans	-109.8	71	172.3	-59.8	-14	0	0	0	110.5	A1021 L1024 P1025 V1029 C1030 K1149	A1021-N1027 PolarHBondContact O-ND2 3.32Å; L1024-N1027 PolarHBondContact O-N 2.86Å; L1024-N1027 VanDerWaalsContact O-N 3.09Å; P1025-N1027 PolarHBondContact O-N 2.93Å; N1027-V1029 PolarHBondContact O-N 2.96Å; N1027-V1029 VanDerWaalsContact O-N 3.15Å; N1027-C1030 PolarHBondContact O-SG 2.86Å; N1027-K1149 PolarHBondContact O-NZ 3.29Å
1028	P	94.6	Very high	91.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	16%	0.158	C	C	.	.	S	Bend	trans	-48.9	-31.6	174.3	-36.4	38.3	0	0	0	116.6	N964 Q966 I967 L991 P1025 S1026 K1149 L1150	N964-P1028 WeakPolarHBondContact ND2-CB 3.36Å; Q966-P1028 HydrophobicContact CB-CB 4.42Å; Q966-P1028 VanDerWaalsContact OE1-CG 3.22Å; I967-P1028 HydrophobicContact CD1-CB 4.46Å; I967-P1028 HydrophobicContact CG1-CB 4.43Å; L991-P1028 HydrophobicContact CD2-CG 3.7Å; P1025-P1028 WeakPolarHBondContact O-CD 3.24Å; S1026-P1028 WeakPolarHBondContact O-CD 3.27Å; P1028-K1149 CarbonylContact O-C 3.52Å; P1028-K1149 VanDerWaalsContact O-CA 3.26Å; P1028-K1149 WeakPolarHBondContact O-CA 3.27Å; P1028-L1150 PolarHBondContact O-N 3.19Å
1029	V	97.1	Very high	91.5	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.3	-179.5	-178.5	0	0	0	0	108.6	Q966 I967 L970 N1027 M1152 L1172 M1177	Q966-V1029 HydrophobicContact CB-CG2 4.27Å; I967-V1029 HydrophobicContact CG1-CG2 3.73Å; L970-V1029 HydrophobicContact CD1-CG1 3.93Å; L970-V1029 HydrophobicContact CD1-CG2 4.02Å; L970-V1029 HydrophobicContact CD2-CG1 4.41Å; N1027-V1029 PolarHBondContact O-N 2.96Å; N1027-V1029 VanDerWaalsContact O-N 3.15Å; V1029-M1152 HydrophobicContact CG1-CE 3.67Å; V1029-L1172 HydrophobicContact CG1-CD2 3.53Å; V1029-M1177 HydrophobicContact CB-CE 4.25Å; V1029-M1177 HydrophobicContact CB-CG 4.23Å; V1029-M1177 HydrophobicContact CB-SD 3.67Å; V1029-M1177 HydrophobicContact CG1-CB 4.19Å; V1029-M1177 HydrophobicContact CG1-CG 4.32Å; V1029-M1177 HydrophobicContact CG1-SD 3.71Å; V1029-M1177 HydrophobicContact CG2-CE 4.44Å; V1029-M1177 HydrophobicContact CG2-SD 4.23Å
1030	C	96.5	Very high	91.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.4	171.5	-49.3	0	0	0	0	109.9	N1027 L1032 L1150 L1151 M1152 I1179	N1027-C1030 PolarHBondContact O-SG 2.86Å; C1030-L1032 HydrophobicContact CB-CD2 4.38Å; C1030-L1150 PolarHBondContact N-O 2.91Å; C1030-L1150 VanDerWaalsContact N-O 3.1Å; C1030-L1151 HydrophobicContact CB-CD2 3.83Å; C1030-M1152 PolarHBondContact O-N 2.66Å; C1030-I1179 HydrophobicContact CB-CD1 4.03Å
1031	F	97.1	Very high	91.8	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.1	163.9	-174.6	-79.8	0	0	0	109.1	D1033 F1119 M1152 A1156 L1159 L1169 L1172 M1177 I1178 I1179	F1031-D1033 HydrophobicContact CD1-CB 4.12Å; F1031-D1033 HydrophobicContact CE1-CB 3.92Å; F1031-D1033 PolarHBondContact O-N 3.34Å; F1031-F1119 HydrophobicContact CD2-CE2 4.43Å; F1031-F1119 HydrophobicContact CE2-CD2 4.07Å; F1031-F1119 AromaticContact CE2-CE2 3.88Å; F1031-F1119 HydrophobicContact CE2-CE2 3.88Å; F1031-M1152 HydrophobicContact CB-CB 4.33Å; F1031-M1152 HydrophobicContact CB-CE 4.33Å; F1031-M1152 HydrophobicContact CD2-CB 3.62Å; F1031-M1152 HydrophobicContact CD2-SD 4.37Å; F1031-M1152 HydrophobicContact CE2-CB 4.3Å; F1031-M1152 HydrophobicContact CG-CB 4.3Å; F1031-A1156 HydrophobicContact CE1-CB 4.09Å; F1031-L1159 HydrophobicContact CE2-CD1 4.39Å; F1031-L1159 HydrophobicContact CZ-CD1 4Å; F1031-L1169 HydrophobicContact CD1-CD2 4.14Å; F1031-L1169 HydrophobicContact CD2-CD2 4.07Å; F1031-L1169 HydrophobicContact CE1-CD2 3.94Å; F1031-L1169 HydrophobicContact CE2-CD2 3.87Å; F1031-L1169 HydrophobicContact CG-CD2 4.22Å; F1031-L1169 HydrophobicContact CZ-CD2 3.81Å; F1031-L1172 HydrophobicContact CB-CD1 3.92Å; F1031-L1172 HydrophobicContact CD2-CD1 4.09Å; F1031-L1172 HydrophobicContact CG-CD1 4.25Å; F1031-M1177 PolarHBondContact N-O 2.77Å; F1031-I1178 HydrophobicContact CB-CG1 4.39Å; F1031-I1178 HydrophobicContact CD1-CG2 4.33Å; F1031-I1179 PolarHBondContact O-N 3.31Å
1032	L	95.9	Very high	91.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.8	176.5	-55.1	-167.9	0	0	0	108.9	W1018 A1022 C1030 C1034 M1060 M1152 V1153 G1154 I1179 L1181	W1018-L1032 HydrophobicContact CE3-CD1 4.29Å; W1018-L1032 HydrophobicContact CZ3-CD1 4.01Å; A1022-L1032 HydrophobicContact CB-CD2 4.09Å; C1030-L1032 HydrophobicContact CB-CD2 4.38Å; L1032-C1034 PolarHBondContact O-N 2.89Å; L1032-M1060 HydrophobicContact CD1-CE 3.66Å; L1032-M1060 HydrophobicContact CD1-SD 3.39Å; L1032-M1060 WeakPolarHBondContact CD1-SD 3.39Å; L1032-M1152 PolarHBondContact N-O 2.83Å; L1032-V1153 HydrophobicContact CD1-CG2 4.47Å; L1032-G1154 PolarHBondContact O-N 3.15Å; L1032-I1179 WeakPolarHBondContact CA-O 3.39Å; L1032-I1179 HydrophobicContact CD2-CB 3.85Å; L1032-I1179 HydrophobicContact CD2-CD1 4.02Å; L1032-I1179 HydrophobicContact CD2-CG1 4.39Å; L1032-I1179 HydrophobicContact CD2-CG2 4.28Å; L1032-L1181 HydrophobicContact CB-CD1 4.16Å; L1032-L1181 HydrophobicContact CB-CD2 4.29Å; L1032-L1181 HydrophobicContact CB-CG 4.21Å; L1032-L1181 HydrophobicContact CD1-CD2 4.45Å
1033	D	95.2	Very high	91.4	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	109.3	-178	178.4	27.6	0	0	0	111.6	F1031 S1035 A1156 I1178 I1179 Q1180 L1181	F1031-D1033 HydrophobicContact CD1-CB 4.12Å; F1031-D1033 HydrophobicContact CE1-CB 3.92Å; F1031-D1033 PolarHBondContact O-N 3.34Å; D1033-S1035 VanDerWaalsContact C-N 3.28Å; D1033-S1035 VanDerWaalsContact CG-OG 3.29Å; D1033-S1035 PolarHBondContact O-N 3.38Å; D1033-S1035 VanDerWaalsContact OD1-CB 3.29Å; D1033-S1035 WeakPolarHBondContact OD1-CB 3.26Å; D1033-S1035 PolarHBondContact OD1-N 2.93Å; D1033-S1035 PolarHBondContact OD1-OG 3.45Å; D1033-S1035 WeakPolarHBondContact OD2-CB 3.45Å; D1033-S1035 PolarHBondContact OD2-OG 3.33Å; D1033-A1156 HydrophobicContact CB-CB 4.29Å; D1033-A1156 VanDerWaalsContact CG-CB 3.46Å; D1033-A1156 WeakPolarHBondContact OD1-CB 3.12Å; D1033-A1156 PolarHBondContact OD1-N 3.35Å; D1033-I1178 HydrophobicContact CB-CG2 4.21Å; D1033-I1179 PolarHBondContact N-O 3Å; D1033-Q1180 VanDerWaalsContact CG-NE2 3.33Å; D1033-Q1180 PolarHBondContact O-NE2 3.08Å; D1033-Q1180 PolarHBondContact OD2-NE2 3.16Å; D1033-L1181 WeakPolarHBondContact O-CB 3.42Å; D1033-L1181 PolarHBondContact O-N 3.18Å; D1033-L1181 VanDerWaalsContact O-N 3.11Å
1034	C	92.8	Very high	90.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-77.1	-0.8	176.1	-59.5	0	0	0	0	114.3	L1032 K1036 V1037 A1039 G1154	L1032-C1034 PolarHBondContact O-N 2.89Å; C1034-K1036 PolarHBondContact O-N 3.24Å; C1034-V1037 WeakPolarHBondContact O-CA 3.49Å; C1034-V1037 WeakPolarHBondContact O-CB 3.45Å; C1034-V1037 PolarHBondContact O-N 3.03Å; C1034-V1037 VanDerWaalsContact O-O 3.09Å; C1034-A1039 HydrophobicContact CB-CB 3.97Å; C1034-G1154 PolarHBondContact N-O 3.25Å
1035	S	89.9	Confident	89.2	Confident	45 Å²	45	46.9 Å²	46.9	32%	0.315	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-57.1	-23.1	-173	-57.5	0	0	0	0	115.2	D1033 A1156 A1157	D1033-S1035 VanDerWaalsContact C-N 3.28Å; D1033-S1035 VanDerWaalsContact CG-OG 3.29Å; D1033-S1035 PolarHBondContact O-N 3.38Å; D1033-S1035 VanDerWaalsContact OD1-CB 3.29Å; D1033-S1035 WeakPolarHBondContact OD1-CB 3.26Å; D1033-S1035 PolarHBondContact OD1-N 2.93Å; D1033-S1035 PolarHBondContact OD1-OG 3.45Å; D1033-S1035 WeakPolarHBondContact OD2-CB 3.45Å; D1033-S1035 PolarHBondContact OD2-OG 3.33Å; S1035-A1156 PolarHBondContact OG-N 3.01Å; S1035-A1156 VanDerWaalsContact OG-N 3.12Å; S1035-A1157 PolarHBondContact OG-N 2.83Å
1036	K	88.8	Confident	87.7	Confident	123 Å²	123	49.6 Å²	49.6	54%	0.535	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-95.9	-7.4	174.9	-67.4	-176.5	-178.4	165.5	0	114.2	C1034 Q1180 P1183	C1034-K1036 PolarHBondContact O-N 3.24Å; K1036-Q1180 HydrophobicContact CD-CG 3.79Å; K1036-Q1180 HydrophobicContact CG-CG 4.5Å; K1036-P1183 HydrophobicContact CB-CG 4.32Å; K1036-P1183 VanDerWaalsContact O-CA 3.28Å; K1036-P1183 WeakPolarHBondContact O-CA 3.48Å; K1036-P1183 WeakPolarHBondContact O-CB 3.39Å
1037	V	87.4	Confident	87	Confident	12 Å²	12	47.1 Å²	47.1	7%	0.073	27%	0.272	C	S	.	.	S	Bend	trans	-96.4	142.5	-179.5	-176.6	0	0	0	0	108.5	C1034 A1039 T1052 L1181 A1185 H1186	C1034-V1037 WeakPolarHBondContact O-CA 3.49Å; C1034-V1037 WeakPolarHBondContact O-CB 3.45Å; C1034-V1037 PolarHBondContact O-N 3.03Å; C1034-V1037 VanDerWaalsContact O-O 3.09Å; V1037-A1039 HydrophobicContact CB-CB 4.33Å; V1037-A1039 HydrophobicContact CG1-CB 4.12Å; V1037-A1039 PolarHBondContact O-N 3.24Å; V1037-T1052 HydrophobicContact CG1-CG2 3.97Å; V1037-L1181 HydrophobicContact CG2-CB 3.55Å; V1037-L1181 HydrophobicContact CG2-CD1 4.13Å; V1037-A1185 HydrophobicContact CG2-CB 4.29Å; V1037-H1186 HydrophobicContact CG1-CB 4.1Å
1038	P	86	Confident	86.7	Confident	78 Å²	78	45.1 Å²	45.1	51%	0.506	26%	0.262	S	S	.	.			trans	-70.9	66.7	168.6	31.2	-36.6	0	0	0	111.2	T1052 H1186	P1038-T1052 PolarHBondContact O-OG1 3.41Å; P1038-H1186 WeakPolarHBondContact CG-CE1 3.49Å
1039	A	86.6	Confident	86.6	Confident	1 Å²	1	45 Å²	45	1%	0.008	26%	0.262	C	S	.	.			trans	-108.3	57.7	179.7	0	0	0	0	0	109.7	C1034 V1037 N1050 T1052 S1122	C1034-A1039 HydrophobicContact CB-CB 3.97Å; V1037-A1039 HydrophobicContact CB-CB 4.33Å; V1037-A1039 HydrophobicContact CG1-CB 4.12Å; V1037-A1039 PolarHBondContact O-N 3.24Å; A1039-N1050 PolarHBondContact O-ND2 3.4Å; A1039-T1052 HydrophobicContact CB-CG2 3.7Å; A1039-S1122 WeakPolarHBondContact O-CB 3.31Å; A1039-S1122 PolarHBondContact O-OG 3.48Å
1040	L	88.8	Confident	86.4	Confident	109 Å²	109	44.8 Å²	44.8	57%	0.571	26%	0.26	S	S	*	.			trans	-74.1	152.4	178.3	-65.2	174.6	0	0	0	111.6
1041	E	90.1	Very high	86.1	Confident	38 Å²	38	52.3 Å²	52.3	18%	0.178	29%	0.288	C	S	.	.			trans	-74.7	153.3	173.3	71.1	-170.9	-140.7	0	0	112.6	V1048 S1049 R1121 S1122	E1041-V1048 HydrophobicContact CB-CG1 3.96Å; E1041-V1048 HydrophobicContact CG-CG1 4.44Å; E1041-S1049 CarbonylContact C-O 3.58Å; E1041-S1049 WeakPolarHBondContact CA-O 3.45Å; E1041-R1121 IonicContact OE1-CZ 3.6Å; E1041-R1121 IonicContact OE1-NH1 3.56Å; E1041-R1121 PolarHBondContact OE1-NH1 3.38Å; E1041-R1121 IonicContact OE1-NH2 2.77Å; E1041-R1121 PolarHBondContact OE1-NH2 2.79Å; E1041-R1121 WeakPolarHBondContact OE2-CA 3.42Å; E1041-R1121 IonicContact OE2-CZ 2.69Å; E1041-R1121 IonicContact OE2-NE 3.65Å; E1041-R1121 PolarHBondContact OE2-NE 2.8Å; E1041-R1121 IonicContact OE2-NH1 3.19Å; E1041-R1121 PolarHBondContact OE2-NH1 2.85Å; E1041-R1121 VanDerWaalsContact OE2-NH1 3.12Å; E1041-R1121 IonicContact OE2-NH2 2.86Å; E1041-R1121 PolarHBondContact OE2-NH2 3.31Å; E1041-S1122 WeakPolarHBondContact CG-O 3.31Å; E1041-S1122 PolarHBondContact N-O 3.35Å; E1041-S1122 PolarHBondContact OE2-N 2.7Å
1042	S	88.2	Confident	85.9	Confident	30 Å²	30	53.7 Å²	53.7	21%	0.21	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.1	168.4	70.7	0	0	0	0	109.7	V1048 S1049	S1042-V1048 WeakPolarHBondContact O-CA 3.26Å; S1042-S1049 PolarHBondContact N-O 3.47Å; S1042-S1049 PolarHBondContact O-N 2.86Å; S1042-S1049 PolarHBondContact OG-OG 2.88Å
1043	V	83.3	Confident	85.8	Confident	98 Å²	98	53.7 Å²	53.7	59%	0.594	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	115	-179.5	-175.9	0	0	0	0	109	G1047 V1048	V1043-G1047 WeakPolarHBondContact CA-O 3.43Å; V1043-V1048 HydrophobicContact CG2-CG2 4.46Å
1044	E	77.8	Confident	85.7	Confident	69 Å²	69	53.1 Å²	53.1	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.1	-175.6	-68	172.6	-171.1	0	0	108.9	G1046 G1047 R1051 Q1082	E1044-G1046 VanDerWaalsContact C-N 3.27Å; E1044-G1046 PolarHBondContact O-N 2.95Å; E1044-G1046 VanDerWaalsContact O-N 3.11Å; E1044-G1047 PolarHBondContact N-O 3.41Å; E1044-G1047 WeakPolarHBondContact O-CA 3.37Å; E1044-G1047 PolarHBondContact O-N 3.38Å; E1044-R1051 IonicContact OE1-CZ 2.99Å; E1044-R1051 IonicContact OE1-NH2 3.56Å; E1044-R1051 PolarHBondContact OE1-NH2 3.46Å; E1044-Q1082 PolarHBondContact OE2-NE2 3.28Å
1045	Q	60.4	Low	85.6	Confident	211 Å²	211	54.1 Å²	54.1	99%	0.986	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	38.8	173.4	-60.2	-176.5	-11.9	0	0	115.1	G1047	Q1045-G1047 VanDerWaalsContact C-N 3.27Å; Q1045-G1047 PolarHBondContact O-N 3.17Å
1046	G	60.3	Low	85.7	Confident	80 Å²	80	52 Å²	52	83%	0.825	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	3.2	-178.2	0	0	0	0	0	115	E1044	E1044-G1046 VanDerWaalsContact C-N 3.27Å; E1044-G1046 PolarHBondContact O-N 2.95Å; E1044-G1046 VanDerWaalsContact O-N 3.11Å
1047	G	76.7	Confident	85.9	Confident	16 Å²	16	46.1 Å²	46.1	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	154.9	167	0	0	0	0	0	112.2	V1043 E1044 Q1045	V1043-G1047 WeakPolarHBondContact CA-O 3.43Å; E1044-G1047 PolarHBondContact N-O 3.41Å; E1044-G1047 WeakPolarHBondContact O-CA 3.37Å; E1044-G1047 PolarHBondContact O-N 3.38Å; Q1045-G1047 VanDerWaalsContact C-N 3.27Å; Q1045-G1047 PolarHBondContact O-N 3.17Å
1048	V	87.3	Confident	86.2	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.2	172.8	-167.8	0	0	0	0	109.2	E1041 S1042 V1043 Y1080 Q1083 V1120	E1041-V1048 HydrophobicContact CB-CG1 3.96Å; E1041-V1048 HydrophobicContact CG-CG1 4.44Å; S1042-V1048 WeakPolarHBondContact O-CA 3.26Å; V1043-V1048 HydrophobicContact CG2-CG2 4.46Å; V1048-Y1080 HydrophobicContact CB-CD1 3.85Å; V1048-Y1080 HydrophobicContact CB-CD2 4.09Å; V1048-Y1080 HydrophobicContact CB-CE1 4.07Å; V1048-Y1080 HydrophobicContact CB-CE2 4.34Å; V1048-Y1080 HydrophobicContact CB-CG 3.88Å; V1048-Y1080 HydrophobicContact CG2-CD1 3.92Å; V1048-Y1080 HydrophobicContact CG2-CE1 3.75Å; V1048-Y1080 HydrophobicContact CG2-CG 4.45Å; V1048-Y1080 WeakPolarHBondContact O-CB 3.25Å; V1048-Q1083 PolarHBondContact O-N 3.32Å; V1048-V1120 HydrophobicContact CG1-CG1 4.02Å
1049	S	91.6	Very high	86.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	163.6	174.4	47.8	0	0	0	0	110.7	E1041 S1042 V1120	E1041-S1049 CarbonylContact C-O 3.58Å; E1041-S1049 WeakPolarHBondContact CA-O 3.45Å; S1042-S1049 PolarHBondContact N-O 3.47Å; S1042-S1049 PolarHBondContact O-N 2.86Å; S1042-S1049 PolarHBondContact OG-OG 2.88Å; S1049-V1120 VanDerWaalsContact C-CG1 3.43Å
1050	N	93.1	Very high	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.			trans	-140.5	100.8	176.6	-173	-37.7	0	0	0	107.8	A1039 T1052 E1053 A1054 Q1083 V1120	A1039-N1050 PolarHBondContact O-ND2 3.4Å; N1050-T1052 VanDerWaalsContact C-N 3.28Å; N1050-T1052 PolarHBondContact O-N 3.43Å; N1050-T1052 PolarHBondContact OD1-N 2.91Å; N1050-E1053 HydrophobicContact CB-CB 4.03Å; N1050-E1053 HydrophobicContact CB-CG 4.14Å; N1050-E1053 PolarHBondContact ND2-OE1 3.44Å; N1050-E1053 PolarHBondContact O-N 2.92Å; N1050-E1053 PolarHBondContact OD1-N 3.12Å; N1050-A1054 PolarHBondContact O-N 3.21Å; N1050-Q1083 PolarHBondContact O-NE2 3.46Å; N1050-Q1083 PolarHBondContact O-OE1 3.01Å; N1050-V1120 HydrophobicContact CB-CG1 3.78Å; N1050-V1120 PolarHBondContact ND2-O 2.86Å
1051	R	91.6	Very high	86.8	Confident	160 Å²	160	39.9 Å²	39.9	60%	0.604	22%	0.222	S	C	*	.	H	α-helix	trans	-66.5	-32	-172.8	-60	-174.9	-173.3	-169.9	3.6	111.5	E1044 A1054 A1055	E1044-R1051 IonicContact OE1-CZ 2.99Å; E1044-R1051 IonicContact OE1-NH2 3.56Å; E1044-R1051 PolarHBondContact OE1-NH2 3.46Å; R1051-A1054 PolarHBondContact O-N 3.42Å; R1051-A1055 WeakPolarHBondContact O-CB 3.42Å; R1051-A1055 PolarHBondContact O-N 3.1Å
1052	T	91.8	Very high	86.9	Confident	30 Å²	30	39.1 Å²	39.1	18%	0.184	22%	0.221	C	C	.	.	H	α-helix	trans	-70.7	-44.9	177.1	-50.6	0	0	0	0	111.4	V1037 P1038 A1039 N1050 A1054 A1055 L1056 H1186	V1037-T1052 HydrophobicContact CG1-CG2 3.97Å; P1038-T1052 PolarHBondContact O-OG1 3.41Å; A1039-T1052 HydrophobicContact CB-CG2 3.7Å; N1050-T1052 VanDerWaalsContact C-N 3.28Å; N1050-T1052 PolarHBondContact O-N 3.43Å; N1050-T1052 PolarHBondContact OD1-N 2.91Å; T1052-A1054 VanDerWaalsContact C-N 3.34Å; T1052-A1054 PolarHBondContact O-N 3.18Å; T1052-A1055 PolarHBondContact O-N 3.12Å; T1052-L1056 HydrophobicContact CG2-CD1 4.44Å; T1052-L1056 WeakPolarHBondContact O-CG 3.48Å; T1052-L1056 PolarHBondContact O-N 3.3Å; T1052-H1186 HydrophobicContact CG2-CB 3.87Å
1053	E	94	Very high	87	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-46.6	170.2	-79.1	-172.2	-145.2	0	0	111.6	N1050 A1055 L1056 I1057 S1118 F1119 V1120 V1153	N1050-E1053 HydrophobicContact CB-CB 4.03Å; N1050-E1053 HydrophobicContact CB-CG 4.14Å; N1050-E1053 PolarHBondContact ND2-OE1 3.44Å; N1050-E1053 PolarHBondContact O-N 2.92Å; N1050-E1053 PolarHBondContact OD1-N 3.12Å; E1053-A1055 VanDerWaalsContact C-N 3.3Å; E1053-A1055 PolarHBondContact O-N 3.36Å; E1053-L1056 PolarHBondContact O-N 2.96Å; E1053-I1057 WeakPolarHBondContact O-CB 3.33Å; E1053-I1057 VanDerWaalsContact O-CG1 3.24Å; E1053-I1057 WeakPolarHBondContact O-CG1 3.37Å; E1053-I1057 PolarHBondContact O-N 3.46Å; E1053-S1118 WeakPolarHBondContact OE2-CA 3.26Å; E1053-S1118 WeakPolarHBondContact OE2-CB 3.47Å; E1053-S1118 PolarHBondContact OE2-OG 3.37Å; E1053-F1119 PolarHBondContact OE2-N 2.78Å; E1053-V1120 WeakPolarHBondContact OE1-CA 3.22Å; E1053-V1120 PolarHBondContact OE1-N 2.88Å; E1053-V1120 PolarHBondContact OE2-N 2.97Å; E1053-V1153 HydrophobicContact CB-CG1 4.48Å; E1053-V1153 HydrophobicContact CG-CG1 3.99Å
1054	A	92.8	Very high	87.4	Confident	1 Å²	1	33 Å²	33	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-39.3	-178.1	0	0	0	0	0	112.4	N1050 R1051 T1052 H1058 C1086 I1087 L1090	N1050-A1054 PolarHBondContact O-N 3.21Å; R1051-A1054 PolarHBondContact O-N 3.42Å; T1052-A1054 VanDerWaalsContact C-N 3.34Å; T1052-A1054 PolarHBondContact O-N 3.18Å; A1054-H1058 PolarHBondContact O-N 2.87Å; A1054-C1086 HydrophobicContact CB-CB 4.42Å; A1054-I1087 HydrophobicContact CB-CG1 3.67Å; A1054-L1090 HydrophobicContact CB-CD1 4.06Å; A1054-L1090 WeakPolarHBondContact O-CD1 3.48Å
1055	A	91.6	Very high	88.2	Confident	22 Å²	22	31.3 Å²	31.3	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-73.7	-38	177.9	0	0	0	0	0	113.1	R1051 T1052 E1053 I1057 H1058 M1059 L1090 L1189	R1051-A1055 WeakPolarHBondContact O-CB 3.42Å; R1051-A1055 PolarHBondContact O-N 3.1Å; T1052-A1055 PolarHBondContact O-N 3.12Å; E1053-A1055 VanDerWaalsContact C-N 3.3Å; E1053-A1055 PolarHBondContact O-N 3.36Å; A1055-I1057 VanDerWaalsContact C-N 3.33Å; A1055-H1058 PolarHBondContact O-N 3.22Å; A1055-M1059 PolarHBondContact O-N 3.13Å; A1055-L1090 HydrophobicContact CB-CD1 4.45Å; A1055-L1189 HydrophobicContact CB-CD1 3.5Å; A1055-L1189 VanDerWaalsContact CB-CD1 3.5Å; A1055-L1189 HydrophobicContact CB-CD2 4.02Å; A1055-L1189 HydrophobicContact CB-CG 4.44Å; A1055-L1189 VanDerWaalsContact O-CD2 3.25Å; A1055-L1189 WeakPolarHBondContact O-CD2 3.4Å
1056	L	91.4	Very high	89.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-45.4	170.4	-72.1	169.2	0	0	0	110.9	W1018 T1052 E1053 H1058 M1059 M1060 L1181	W1018-L1056 HydrophobicContact CH2-CD2 4.16Å; T1052-L1056 HydrophobicContact CG2-CD1 4.44Å; T1052-L1056 WeakPolarHBondContact O-CG 3.48Å; T1052-L1056 PolarHBondContact O-N 3.3Å; E1053-L1056 PolarHBondContact O-N 2.96Å; L1056-H1058 PolarHBondContact O-N 3.41Å; L1056-M1059 HydrophobicContact CD2-CE 4.24Å; L1056-M1059 PolarHBondContact O-N 3.16Å; L1056-M1060 WeakPolarHBondContact O-CG 3.34Å; L1056-M1060 PolarHBondContact O-N 3.46Å; L1056-L1181 HydrophobicContact CD1-CD1 3.93Å
1057	I	93.9	Very high	91.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-45.4	176.9	-69.6	167.3	0	0	0	111	E1053 A1055 M1059 M1060 L1061 V1076 I1087 V1116 V1153	E1053-I1057 WeakPolarHBondContact O-CB 3.33Å; E1053-I1057 VanDerWaalsContact O-CG1 3.24Å; E1053-I1057 WeakPolarHBondContact O-CG1 3.37Å; E1053-I1057 PolarHBondContact O-N 3.46Å; A1055-I1057 VanDerWaalsContact C-N 3.33Å; I1057-M1059 PolarHBondContact O-N 2.89Å; I1057-M1060 PolarHBondContact O-N 3.35Å; I1057-L1061 HydrophobicContact CG2-CD1 3.91Å; I1057-L1061 HydrophobicContact CG2-CG 4.33Å; I1057-L1061 WeakPolarHBondContact O-CB 3.44Å; I1057-L1061 VanDerWaalsContact O-CG 3.26Å; I1057-L1061 WeakPolarHBondContact O-CG 3.27Å; I1057-L1061 PolarHBondContact O-N 3.03Å; I1057-V1076 HydrophobicContact CG2-CG1 4.26Å; I1057-I1087 HydrophobicContact CD1-CD1 3.99Å; I1057-V1116 HydrophobicContact CD1-CG1 4.19Å; I1057-V1116 HydrophobicContact CG1-CG1 3.86Å; I1057-V1116 HydrophobicContact CG2-CG1 4.07Å; I1057-V1153 HydrophobicContact CD1-CG2 4.44Å; I1057-V1153 HydrophobicContact CG1-CG2 4.04Å
1058	H	92.9	Very high	91.9	Very high	59 Å²	59	21.9 Å²	21.9	27%	0.273	11%	0.112	S	C	.	.	H	α-helix	trans	-56	-50.3	174.5	172.3	-94.2	0	0	0	111.9	A1054 A1055 L1056 M1060 L1061 S1062 L1090 F1096	A1054-H1058 PolarHBondContact O-N 2.87Å; A1055-H1058 PolarHBondContact O-N 3.22Å; L1056-H1058 PolarHBondContact O-N 3.41Å; H1058-M1060 PolarHBondContact O-N 3.45Å; H1058-L1061 PolarHBondContact O-N 2.91Å; H1058-S1062 PolarHBondContact O-N 2.81Å; H1058-S1062 PolarHBondContact O-OG 3.02Å; H1058-L1090 HydrophobicContact CB-CB 4.18Å; H1058-L1090 HydrophobicContact CB-CD1 4.08Å; H1058-F1096 AromaticContact CD2-CE2 3.83Å; H1058-F1096 AromaticContact CD2-CZ 3.68Å; H1058-F1096 AromaticContact NE2-CE2 3.58Å; H1058-F1096 AromaticContact NE2-CZ 3.56Å
1059	M	89.2	Confident	92.2	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.039	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-48.2	178	-176	-139.2	-66.8	0	0	112.3	W1018 L1019 A1055 L1056 I1057 L1061 S1062 L1063 A1188 L1189	W1018-M1059 HydrophobicContact CH2-CE 4.31Å; W1018-M1059 HydrophobicContact CH2-SD 4.15Å; W1018-M1059 HydrophobicContact CZ2-CE 4.44Å; L1019-M1059 HydrophobicContact CD1-SD 4.23Å; L1019-M1059 HydrophobicContact CD2-SD 3.81Å; A1055-M1059 PolarHBondContact O-N 3.13Å; L1056-M1059 HydrophobicContact CD2-CE 4.24Å; L1056-M1059 PolarHBondContact O-N 3.16Å; I1057-M1059 PolarHBondContact O-N 2.89Å; M1059-L1061 VanDerWaalsContact C-N 3.33Å; M1059-L1061 PolarHBondContact O-N 2.79Å; M1059-S1062 PolarHBondContact O-N 2.92Å; M1059-L1063 HydrophobicContact CG-CD1 4.1Å; M1059-L1063 WeakPolarHBondContact O-CG 3.32Å; M1059-L1063 PolarHBondContact O-N 3.38Å; M1059-L1063 VanDerWaalsContact O-N 3.12Å; M1059-L1063 HydrophobicContact SD-CD1 4.27Å; M1059-A1188 HydrophobicContact CE-CB 3.96Å; M1059-L1189 HydrophobicContact CB-CD2 3.86Å; M1059-L1189 HydrophobicContact CE-CD2 3.56Å; M1059-L1189 HydrophobicContact CE-CG 4.08Å; M1059-L1189 HydrophobicContact CG-CD2 4.46Å
1060	M	90.9	Very high	92.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-40.2	178.7	-67.7	-173.1	86	0	0	112.2	L1019 A1022 L1032 L1056 I1057 H1058 L1063 L1064 L1151	L1019-M1060 HydrophobicContact CD1-CG 4.45Å; A1022-M1060 HydrophobicContact CB-CE 3.62Å; L1032-M1060 HydrophobicContact CD1-CE 3.66Å; L1032-M1060 HydrophobicContact CD1-SD 3.39Å; L1032-M1060 WeakPolarHBondContact CD1-SD 3.39Å; L1056-M1060 WeakPolarHBondContact O-CG 3.34Å; L1056-M1060 PolarHBondContact O-N 3.46Å; I1057-M1060 PolarHBondContact O-N 3.35Å; H1058-M1060 PolarHBondContact O-N 3.45Å; M1060-L1063 PolarHBondContact O-N 3.16Å; M1060-L1064 WeakPolarHBondContact O-CB 3.38Å; M1060-L1064 WeakPolarHBondContact O-CD1 3.36Å; M1060-L1064 VanDerWaalsContact O-CG 3.25Å; M1060-L1064 WeakPolarHBondContact O-CG 3.25Å; M1060-L1064 PolarHBondContact O-N 3.24Å; M1060-L1151 HydrophobicContact CE-CD1 3.59Å; M1060-L1151 HydrophobicContact CE-CD2 4.07Å; M1060-L1151 HydrophobicContact CE-CG 4.38Å; M1060-L1151 HydrophobicContact SD-CD1 4.38Å
1061	L	93.4	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-40.7	178.4	-70.3	-179.8	0	0	0	112	I1057 H1058 M1059 L1063 L1064 I1065 I1074 V1076 L1091 F1096 V1099 L1114 V1116	I1057-L1061 HydrophobicContact CG2-CD1 3.91Å; I1057-L1061 HydrophobicContact CG2-CG 4.33Å; I1057-L1061 WeakPolarHBondContact O-CB 3.44Å; I1057-L1061 VanDerWaalsContact O-CG 3.26Å; I1057-L1061 WeakPolarHBondContact O-CG 3.27Å; I1057-L1061 PolarHBondContact O-N 3.03Å; H1058-L1061 PolarHBondContact O-N 2.91Å; M1059-L1061 VanDerWaalsContact C-N 3.33Å; M1059-L1061 PolarHBondContact O-N 2.79Å; L1061-L1063 VanDerWaalsContact C-N 3.35Å; L1061-L1063 PolarHBondContact O-N 2.67Å; L1061-L1064 PolarHBondContact O-N 3.44Å; L1061-I1065 WeakPolarHBondContact O-CB 3.26Å; L1061-I1065 WeakPolarHBondContact O-CD1 3.25Å; L1061-I1065 VanDerWaalsContact O-CG1 3.27Å; L1061-I1065 WeakPolarHBondContact O-CG1 3.44Å; L1061-I1065 PolarHBondContact O-N 3.25Å; L1061-I1074 HydrophobicContact CD2-CD1 4.23Å; L1061-I1074 HydrophobicContact CD2-CG2 3.6Å; L1061-V1076 HydrophobicContact CD1-CG2 3.78Å; L1061-L1091 HydrophobicContact CD1-CD1 4.14Å; L1061-L1091 HydrophobicContact CD1-CD2 4Å; L1061-F1096 HydrophobicContact CB-CE1 4.12Å; L1061-V1099 HydrophobicContact CD1-CG1 4.48Å; L1061-L1114 HydrophobicContact CD2-CD2 4.27Å; L1061-V1116 HydrophobicContact CD2-CG2 3.97Å
1062	S	91.8	Very high	92.4	Very high	22 Å²	22	24.6 Å²	24.6	15%	0.154	14%	0.144	C	C	.	.	H	α-helix	trans	-56	-49.1	172.2	-59.6	0	0	0	0	111.6	H1058 M1059 I1065 K1066 F1096	H1058-S1062 PolarHBondContact O-N 2.81Å; H1058-S1062 PolarHBondContact O-OG 3.02Å; M1059-S1062 PolarHBondContact O-N 2.92Å; S1062-I1065 PolarHBondContact O-N 3.49Å; S1062-K1066 VanDerWaalsContact O-CB 3.31Å; S1062-K1066 WeakPolarHBondContact O-CB 3.32Å; S1062-K1066 PolarHBondContact O-N 3.01Å; S1062-F1096 WeakPolarHBondContact OG-CZ 3.47Å
1063	L	90.8	Very high	92.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-38.2	-178.7	-69.9	163.9	0	0	0	112.6	V1000 L1019 L1023 M1059 M1060 L1061 K1066 A1067 L1194	V1000-L1063 HydrophobicContact CG1-CB 4.45Å; V1000-L1063 HydrophobicContact CG1-CD2 3.75Å; L1019-L1063 HydrophobicContact CD1-CD1 3.85Å; L1019-L1063 HydrophobicContact CD2-CD1 3.73Å; L1019-L1063 HydrophobicContact CG-CD1 4.08Å; L1023-L1063 HydrophobicContact CD1-CB 4.33Å; L1023-L1063 HydrophobicContact CD2-CB 4.09Å; M1059-L1063 HydrophobicContact CG-CD1 4.1Å; M1059-L1063 WeakPolarHBondContact O-CG 3.32Å; M1059-L1063 PolarHBondContact O-N 3.38Å; M1059-L1063 VanDerWaalsContact O-N 3.12Å; M1059-L1063 HydrophobicContact SD-CD1 4.27Å; M1060-L1063 PolarHBondContact O-N 3.16Å; L1061-L1063 VanDerWaalsContact C-N 3.35Å; L1061-L1063 PolarHBondContact O-N 2.67Å; L1063-K1066 PolarHBondContact O-N 3.06Å; L1063-A1067 VanDerWaalsContact O-CB 3.26Å; L1063-A1067 WeakPolarHBondContact O-CB 3.31Å; L1063-A1067 PolarHBondContact O-N 2.77Å; L1063-L1194 HydrophobicContact CD2-CD2 3.86Å; L1063-L1194 HydrophobicContact CG-CD1 4.46Å; L1063-L1194 HydrophobicContact CG-CD2 4.49Å
1064	L	92.8	Very high	92.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.5	-37.9	176.7	-74.1	161.7	0	0	0	112.2	L992 L994 L1023 M1060 L1061 A1067 G1068 C1069 L1114 L1151	L992-L1064 HydrophobicContact CD2-CD2 4.42Å; L994-L1064 HydrophobicContact CD1-CD2 3.82Å; L994-L1064 HydrophobicContact CD2-CD2 4.36Å; L1023-L1064 HydrophobicContact CD2-CD1 4.41Å; L1023-L1064 HydrophobicContact CD2-CD2 3.53Å; L1023-L1064 HydrophobicContact CD2-CG 3.56Å; M1060-L1064 WeakPolarHBondContact O-CB 3.38Å; M1060-L1064 WeakPolarHBondContact O-CD1 3.36Å; M1060-L1064 VanDerWaalsContact O-CG 3.25Å; M1060-L1064 WeakPolarHBondContact O-CG 3.25Å; M1060-L1064 PolarHBondContact O-N 3.24Å; L1061-L1064 PolarHBondContact O-N 3.44Å; L1064-A1067 PolarHBondContact O-N 3.48Å; L1064-G1068 PolarHBondContact O-N 3.09Å; L1064-C1069 HydrophobicContact CB-CB 4.35Å; L1064-C1069 WeakPolarHBondContact O-CB 3.34Å; L1064-C1069 PolarHBondContact O-N 2.72Å; L1064-L1114 HydrophobicContact CD1-CD2 3.68Å; L1064-L1151 HydrophobicContact CD1-CD1 3.77Å
1065	I	93.1	Very high	92.8	Very high	33 Å²	33	26 Å²	26	17%	0.169	15%	0.15	C	C	.	.	H	α-helix	trans	-68.7	-42.3	174	-68.2	165	0	0	0	110.3	L1061 S1062 A1067 G1068 C1069 P1071 I1074 F1096 V1099	L1061-I1065 WeakPolarHBondContact O-CB 3.26Å; L1061-I1065 WeakPolarHBondContact O-CD1 3.25Å; L1061-I1065 VanDerWaalsContact O-CG1 3.27Å; L1061-I1065 WeakPolarHBondContact O-CG1 3.44Å; L1061-I1065 PolarHBondContact O-N 3.25Å; S1062-I1065 PolarHBondContact O-N 3.49Å; I1065-A1067 VanDerWaalsContact C-N 3.29Å; I1065-A1067 PolarHBondContact O-N 2.9Å; I1065-G1068 WeakPolarHBondContact O-CA 3.39Å; I1065-G1068 PolarHBondContact O-N 3.15Å; I1065-C1069 WeakPolarHBondContact CA-O 3.43Å; I1065-P1071 HydrophobicContact CD1-CG 4.24Å; I1065-I1074 HydrophobicContact CD1-CD1 4.08Å; I1065-I1074 HydrophobicContact CG1-CD1 3.72Å; I1065-F1096 HydrophobicContact CD1-CD1 3.53Å; I1065-F1096 HydrophobicContact CD1-CE1 3.89Å; I1065-V1099 HydrophobicContact CD1-CG2 4.31Å
1066	K	91.1	Very high	93.1	Very high	81 Å²	81	24.9 Å²	24.9	35%	0.352	14%	0.141	S	C	.	.	H	α-helix	trans	-61.8	-34.7	173.2	-166.8	176.1	-177.7	-175.2	0	112.5	S996 V1000 E1003 S1062 L1063 G1068 L1194	S996-K1066 WeakPolarHBondContact CB-O 3.4Å; V1000-K1066 HydrophobicContact CG2-CB 4.16Å; V1000-K1066 HydrophobicContact CG2-CD 4.29Å; V1000-K1066 HydrophobicContact CG2-CG 3.94Å; E1003-K1066 VanDerWaalsContact OE1-CE 3.31Å; E1003-K1066 WeakPolarHBondContact OE1-CE 3.5Å; E1003-K1066 IonicContact OE1-NZ 2.66Å; E1003-K1066 PolarHBondContact OE1-NZ 3.03Å; E1003-K1066 WeakPolarHBondContact OE2-CE 3.39Å; E1003-K1066 IonicContact OE2-NZ 3.12Å; E1003-K1066 PolarHBondContact OE2-NZ 3.12Å; S1062-K1066 VanDerWaalsContact O-CB 3.31Å; S1062-K1066 WeakPolarHBondContact O-CB 3.32Å; S1062-K1066 PolarHBondContact O-N 3.01Å; L1063-K1066 PolarHBondContact O-N 3.06Å; K1066-G1068 PolarHBondContact O-N 3.42Å; K1066-L1194 HydrophobicContact CD-CD2 4.24Å
1067	A	91.6	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-1.4	171.4	0	0	0	0	0	113.8	L994 P995 S996 L997 V1000 L1063 L1064 I1065	L994-A1067 CarbonylContact C-O 3.57Å; L994-A1067 WeakPolarHBondContact CA-O 3.28Å; L994-A1067 HydrophobicContact CB-CB 4.2Å; L994-A1067 HydrophobicContact CD1-CB 4.29Å; L994-A1067 HydrophobicContact CD2-CB 4.25Å; L994-A1067 HydrophobicContact CG-CB 4.49Å; P995-A1067 WeakPolarHBondContact CD-O 3.46Å; S996-A1067 PolarHBondContact N-O 3.24Å; L997-A1067 HydrophobicContact CB-CB 4.36Å; L997-A1067 HydrophobicContact CD1-CB 4.29Å; V1000-A1067 HydrophobicContact CG2-CB 4.1Å; L1063-A1067 VanDerWaalsContact O-CB 3.26Å; L1063-A1067 WeakPolarHBondContact O-CB 3.31Å; L1063-A1067 PolarHBondContact O-N 2.77Å; L1064-A1067 PolarHBondContact O-N 3.48Å; I1065-A1067 VanDerWaalsContact C-N 3.29Å; I1065-A1067 PolarHBondContact O-N 2.9Å
1068	G	92.4	Very high	93.3	Very high	28 Å²	28	24.9 Å²	24.9	29%	0.289	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	11.7	173.1	0	0	0	0	0	115.6	L1064 I1065 K1066	L1064-G1068 PolarHBondContact O-N 3.09Å; I1065-G1068 WeakPolarHBondContact O-CA 3.39Å; I1065-G1068 PolarHBondContact O-N 3.15Å; K1066-G1068 PolarHBondContact O-N 3.42Å
1069	C	93.5	Very high	93.1	Very high	7 Å²	7	23 Å²	23	5%	0.047	14%	0.135	C	C	.	.			trans	-70.9	130.7	170.9	-159.6	0	0	0	0	110.6	L994 L1064 I1065 I1074	L994-C1069 HydrophobicContact CD2-CB 3.71Å; L1064-C1069 HydrophobicContact CB-CB 4.35Å; L1064-C1069 WeakPolarHBondContact O-CB 3.34Å; L1064-C1069 PolarHBondContact O-N 2.72Å; I1065-C1069 WeakPolarHBondContact CA-O 3.43Å; C1069-I1074 HydrophobicContact CB-CD1 4.33Å
1070	K	94.5	Very high	93	Very high	147 Å²	147	23.7 Å²	23.7	64%	0.639	14%	0.137	S	C	*	.			trans	-77.7	133.2	-179	-62.8	176.1	-177.4	175.7	0	110.4	G1072 D1073	K1070-G1072 VanDerWaalsContact C-N 3.27Å; K1070-G1072 PolarHBondContact O-N 3.46Å; K1070-G1072 VanDerWaalsContact O-N 3.15Å; K1070-D1073 HydrophobicContact CB-CB 4.25Å; K1070-D1073 WeakPolarHBondContact O-CB 3.42Å; K1070-D1073 PolarHBondContact O-N 2.79Å
1071	P	93	Very high	92.8	Very high	29 Å²	29	33 Å²	33	19%	0.188	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-48.7	-43.9	176.9	-33.7	38.4	0	0	0	114.5	I1065 D1073 I1074 A1095 S1097 G1098 V1099	I1065-P1071 HydrophobicContact CD1-CG 4.24Å; P1071-D1073 PolarHBondContact O-N 2.78Å; P1071-I1074 WeakPolarHBondContact O-CB 3.26Å; P1071-I1074 PolarHBondContact O-N 3.1Å; P1071-I1074 VanDerWaalsContact O-N 3.1Å; P1071-A1095 VanDerWaalsContact CG-O 3.24Å; P1071-A1095 WeakPolarHBondContact CG-O 3.45Å; P1071-S1097 VanDerWaalsContact CB-O 3.3Å; P1071-S1097 WeakPolarHBondContact CB-O 3.34Å; P1071-G1098 CarbonylContact O-C 3.55Å; P1071-V1099 HydrophobicContact CB-CG2 3.96Å; P1071-V1099 WeakPolarHBondContact O-CA 3.31Å; P1071-V1099 PolarHBondContact O-N 2.92Å
1072	G	93.2	Very high	92.4	Very high	47 Å²	47	34.9 Å²	34.9	49%	0.485	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-63.3	-21.5	177.8	0	0	0	0	0	115.5	K1070 I1074 G1098 K1112	K1070-G1072 VanDerWaalsContact C-N 3.27Å; K1070-G1072 PolarHBondContact O-N 3.46Å; K1070-G1072 VanDerWaalsContact O-N 3.15Å; G1072-I1074 VanDerWaalsContact C-N 3.32Å; G1072-G1098 WeakPolarHBondContact CA-O 3.4Å; G1072-K1112 PolarHBondContact O-NZ 3.28Å
1073	D	95.2	Very high	92.4	Very high	60 Å²	60	33.9 Å²	33.9	32%	0.321	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-84.7	-3.8	177.3	-94.2	-66.4	0	0	0	113.3	K1070 P1071 S1113 L1114	K1070-D1073 HydrophobicContact CB-CB 4.25Å; K1070-D1073 WeakPolarHBondContact O-CB 3.42Å; K1070-D1073 PolarHBondContact O-N 2.79Å; P1071-D1073 PolarHBondContact O-N 2.78Å; D1073-S1113 PolarHBondContact O-N 3.46Å; D1073-S1113 WeakPolarHBondContact OD1-CB 3.38Å; D1073-S1113 PolarHBondContact OD1-OG 3.46Å; D1073-L1114 PolarHBondContact O-N 2.9Å; D1073-L1114 VanDerWaalsContact O-N 3.11Å
1074	I	96.6	Very high	92.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145	-176	-55.5	178	0	0	0	110.9	L1061 I1065 C1069 P1071 G1072 V1099 K1112 L1114	L1061-I1074 HydrophobicContact CD2-CD1 4.23Å; L1061-I1074 HydrophobicContact CD2-CG2 3.6Å; I1065-I1074 HydrophobicContact CD1-CD1 4.08Å; I1065-I1074 HydrophobicContact CG1-CD1 3.72Å; C1069-I1074 HydrophobicContact CB-CD1 4.33Å; P1071-I1074 WeakPolarHBondContact O-CB 3.26Å; P1071-I1074 PolarHBondContact O-N 3.1Å; P1071-I1074 VanDerWaalsContact O-N 3.1Å; G1072-I1074 VanDerWaalsContact C-N 3.32Å; I1074-V1099 HydrophobicContact CB-CG1 4.45Å; I1074-V1099 HydrophobicContact CB-CG2 4.31Å; I1074-V1099 HydrophobicContact CD1-CG2 4.44Å; I1074-V1099 HydrophobicContact CG2-CG1 4.01Å; I1074-V1099 HydrophobicContact CG2-CG2 4.44Å; I1074-K1112 WeakPolarHBondContact O-CD 3.47Å; I1074-K1112 WeakPolarHBondContact O-CE 3.45Å; I1074-K1112 PolarHBondContact O-NZ 3.17Å; I1074-L1114 HydrophobicContact CD1-CD2 4.33Å; I1074-L1114 HydrophobicContact CG1-CB 4.42Å; I1074-L1114 HydrophobicContact CG1-CD2 4.1Å; I1074-L1114 HydrophobicContact CG2-CD2 4.12Å; I1074-L1114 HydrophobicContact CG2-CG 4.48Å
1075	G	96.1	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145	165.9	0	0	0	0	0	113.4	E1100 Y1107 L1114 I1115 V1116	G1075-E1100 CarbonylContact C-O 3.59Å; G1075-E1100 WeakPolarHBondContact CA-O 3.31Å; G1075-Y1107 WeakPolarHBondContact CA-OH 3.47Å; G1075-L1114 PolarHBondContact N-O 2.82Å; G1075-I1115 CarbonylContact O-C 3.6Å; G1075-I1115 WeakPolarHBondContact O-CA 3.03Å; G1075-V1116 PolarHBondContact O-N 2.95Å
1076	V	97.1	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128	175.1	-169.2	0	0	0	0	110	I1057 L1061 I1087 V1099 E1100 V1101 N1102 Y1107 V1116	I1057-V1076 HydrophobicContact CG2-CG1 4.26Å; L1061-V1076 HydrophobicContact CD1-CG2 3.78Å; V1076-I1087 HydrophobicContact CG1-CD1 4.01Å; V1076-I1087 HydrophobicContact CG1-CG2 4.24Å; V1076-V1099 HydrophobicContact CG2-CG1 4.03Å; V1076-E1100 PolarHBondContact N-O 3.28Å; V1076-V1101 HydrophobicContact CB-CG2 4.25Å; V1076-V1101 HydrophobicContact CG2-CG2 4.4Å; V1076-N1102 PolarHBondContact O-N 3.49Å; V1076-N1102 VanDerWaalsContact O-N 3.1Å; V1076-Y1107 WeakPolarHBondContact O-CE2 3.35Å; V1076-V1116 CarbonylContact C-O 3.52Å; V1076-V1116 WeakPolarHBondContact CA-O 3.48Å; V1076-V1116 HydrophobicContact CG1-CB 4.43Å; V1076-V1116 HydrophobicContact CG2-CB 4.48Å
1077	I	96.1	Very high	91.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.7	-176.5	-52.9	-174.2	0	0	0	109.1	V1104 Y1107 I1115 V1116 L1117 S1118 A1142 R1145	I1077-V1104 HydrophobicContact CG2-CB 4.5Å; I1077-V1104 HydrophobicContact CG2-CG2 3.7Å; I1077-Y1107 HydrophobicContact CD1-CD1 4.38Å; I1077-Y1107 HydrophobicContact CD1-CD2 3.98Å; I1077-Y1107 HydrophobicContact CD1-CE2 4.42Å; I1077-Y1107 HydrophobicContact CD1-CG 3.95Å; I1077-Y1107 HydrophobicContact CG1-CD2 3.61Å; I1077-Y1107 HydrophobicContact CG1-CE2 3.75Å; I1077-Y1107 HydrophobicContact CG1-CG 4.12Å; I1077-I1115 HydrophobicContact CD1-CD1 4.21Å; I1077-I1115 HydrophobicContact CD1-CG2 3.8Å; I1077-I1115 HydrophobicContact CG1-CG2 4.1Å; I1077-V1116 PolarHBondContact N-O 2.93Å; I1077-L1117 HydrophobicContact CB-CD1 4Å; I1077-L1117 HydrophobicContact CG2-CD1 3.88Å; I1077-L1117 WeakPolarHBondContact O-CA 3.41Å; I1077-S1118 PolarHBondContact O-N 2.56Å; I1077-A1142 HydrophobicContact CG2-CB 4.33Å; I1077-R1145 HydrophobicContact CD1-CB 4.03Å; I1077-R1145 HydrophobicContact CD1-CG 3.67Å
1078	A	94.2	Very high	91.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.			trans	-143	150.6	167.2	0	0	0	0	0	110.4	Q1083 L1084 V1120	A1078-Q1083 HydrophobicContact CB-CB 4.18Å; A1078-Q1083 HydrophobicContact CB-CG 3.99Å; A1078-L1084 HydrophobicContact CB-CD2 3.66Å; A1078-L1084 HydrophobicContact CB-CG 4.17Å; A1078-V1120 HydrophobicContact CB-CG2 4.4Å
1079	P	88.9	Confident	91.1	Very high	21 Å²	21	40.6 Å²	40.6	14%	0.136	21%	0.213	C	C	.	.	S	Bend	trans	-72.7	-27.2	176.1	26.8	-31.3	0	0	0	112.9	S1118 V1120 L1133	P1079-S1118 WeakPolarHBondContact CD-O 3.19Å; P1079-V1120 HydrophobicContact CG-CG2 4.46Å; P1079-L1133 HydrophobicContact CB-CD2 4.37Å; P1079-L1133 HydrophobicContact CG-CD2 4.15Å
1080	Y	87.4	Confident	90.9	Very high	22 Å²	22	43.8 Å²	43.8	9%	0.086	23%	0.229	C	C	.	.			trans	-104.8	130.8	-176.3	-62.3	-80.3	0	0	0	112.9	V1048 Q1082 Q1083 L1084 V1120 R1121 L1132	V1048-Y1080 HydrophobicContact CB-CD1 3.85Å; V1048-Y1080 HydrophobicContact CB-CD2 4.09Å; V1048-Y1080 HydrophobicContact CB-CE1 4.07Å; V1048-Y1080 HydrophobicContact CB-CE2 4.34Å; V1048-Y1080 HydrophobicContact CB-CG 3.88Å; V1048-Y1080 HydrophobicContact CG2-CD1 3.92Å; V1048-Y1080 HydrophobicContact CG2-CE1 3.75Å; V1048-Y1080 HydrophobicContact CG2-CG 4.45Å; V1048-Y1080 WeakPolarHBondContact O-CB 3.25Å; Y1080-Q1082 VanDerWaalsContact C-N 3.3Å; Y1080-Q1082 PolarHBondContact O-N 2.95Å; Y1080-Q1083 PolarHBondContact O-N 2.89Å; Y1080-L1084 PolarHBondContact O-N 2.82Å; Y1080-V1120 HydrophobicContact CD2-CB 3.9Å; Y1080-V1120 HydrophobicContact CD2-CG1 4.23Å; Y1080-V1120 HydrophobicContact CD2-CG2 4.01Å; Y1080-V1120 HydrophobicContact CE2-CB 4.44Å; Y1080-R1121 HydrophobicContact CE2-CG 4.03Å; Y1080-R1121 WeakPolarHBondContact OH-CD 3.47Å; Y1080-L1132 HydrophobicContact CD1-CD1 3.98Å; Y1080-L1132 HydrophobicContact CE1-CD1 3.54Å
1081	R	84.9	Confident	90.5	Very high	196 Å²	196	37.8 Å²	37.8	74%	0.74	20%	0.204	S	C	*	.	H	α-helix	trans	-64.8	-30	178.6	-66.2	-179.7	-174.9	151.5	2.1	113.6	L1084 K1085 T1103	R1081-L1084 PolarHBondContact O-N 3.29Å; R1081-K1085 PolarHBondContact O-N 3.4Å; R1081-T1103 HydrophobicContact CG-CG2 3.95Å
1082	Q	85.3	Confident	90	Very high	40 Å²	40	42.6 Å²	42.6	19%	0.187	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-42.7	176.9	-168.6	72.4	-10.9	0	0	110.6	E1044 Y1080 L1084 K1085 C1086	E1044-Q1082 PolarHBondContact OE2-NE2 3.28Å; Y1080-Q1082 VanDerWaalsContact C-N 3.3Å; Y1080-Q1082 PolarHBondContact O-N 2.95Å; Q1082-L1084 VanDerWaalsContact C-N 3.3Å; Q1082-L1084 PolarHBondContact O-N 3.35Å; Q1082-K1085 WeakPolarHBondContact O-CB 3.36Å; Q1082-K1085 PolarHBondContact O-N 3.39Å; Q1082-K1085 VanDerWaalsContact O-N 3.08Å; Q1082-K1085 VanDerWaalsContact OE1-NZ 3.17Å; Q1082-C1086 PolarHBondContact O-N 2.85Å; Q1082-C1086 PolarHBondContact O-SG 3.4Å; Q1082-C1086 VanDerWaalsContact O-SG 3.33Å
1083	Q	91.4	Very high	89.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-41.1	171.8	-175.4	71.1	-22.7	0	0	112.8	V1048 N1050 A1078 Y1080 K1085 C1086 I1087 S1118 V1120	V1048-Q1083 PolarHBondContact O-N 3.32Å; N1050-Q1083 PolarHBondContact O-NE2 3.46Å; N1050-Q1083 PolarHBondContact O-OE1 3.01Å; A1078-Q1083 HydrophobicContact CB-CB 4.18Å; A1078-Q1083 HydrophobicContact CB-CG 3.99Å; Y1080-Q1083 PolarHBondContact O-N 2.89Å; Q1083-K1085 VanDerWaalsContact C-N 3.29Å; Q1083-K1085 PolarHBondContact O-N 3.06Å; Q1083-C1086 WeakPolarHBondContact O-CB 3.41Å; Q1083-C1086 PolarHBondContact O-N 2.91Å; Q1083-C1086 VanDerWaalsContact O-N 3.15Å; Q1083-I1087 HydrophobicContact CG-CD1 3.84Å; Q1083-I1087 HydrophobicContact CG-CG1 4.34Å; Q1083-I1087 WeakPolarHBondContact O-CG1 3.1Å; Q1083-I1087 PolarHBondContact O-N 3.47Å; Q1083-S1118 PolarHBondContact NE2-OG 3.19Å; Q1083-V1120 HydrophobicContact CB-CG1 4.28Å; Q1083-V1120 HydrophobicContact CB-CG2 3.78Å; Q1083-V1120 HydrophobicContact CG-CG1 4.43Å; Q1083-V1120 HydrophobicContact CG-CG2 3.61Å
1084	L	89.6	Confident	89	Confident	18 Å²	18	45.8 Å²	45.8	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-36	176.8	-61	175.7	0	0	0	112.1	A1078 Y1080 R1081 Q1082 S1088 V1101 N1102 T1103	A1078-L1084 HydrophobicContact CB-CD2 3.66Å; A1078-L1084 HydrophobicContact CB-CG 4.17Å; Y1080-L1084 PolarHBondContact O-N 2.82Å; R1081-L1084 PolarHBondContact O-N 3.29Å; Q1082-L1084 VanDerWaalsContact C-N 3.3Å; Q1082-L1084 PolarHBondContact O-N 3.35Å; L1084-S1088 VanDerWaalsContact O-CB 3.25Å; L1084-S1088 WeakPolarHBondContact O-CB 3.12Å; L1084-S1088 PolarHBondContact O-N 3.25Å; L1084-S1088 PolarHBondContact O-OG 3.02Å; L1084-V1101 HydrophobicContact CB-CG1 4.12Å; L1084-V1101 HydrophobicContact CD2-CG1 3.65Å; L1084-V1101 HydrophobicContact CG-CG1 4.46Å; L1084-N1102 VanDerWaalsContact CD1-C 3.43Å; L1084-T1103 HydrophobicContact CD1-CG2 3.49Å; L1084-T1103 VanDerWaalsContact CD1-CG2 3.49Å
1085	K	85.6	Confident	88.4	Confident	135 Å²	135	48.2 Å²	48.2	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-64.2	-48.2	170.8	-63.3	-179.3	-170.6	165.7	0	111.1	R1081 Q1082 Q1083 I1087 S1088 A1089	R1081-K1085 PolarHBondContact O-N 3.4Å; Q1082-K1085 WeakPolarHBondContact O-CB 3.36Å; Q1082-K1085 PolarHBondContact O-N 3.39Å; Q1082-K1085 VanDerWaalsContact O-N 3.08Å; Q1082-K1085 VanDerWaalsContact OE1-NZ 3.17Å; Q1083-K1085 VanDerWaalsContact C-N 3.29Å; Q1083-K1085 PolarHBondContact O-N 3.06Å; K1085-I1087 PolarHBondContact O-N 2.97Å; K1085-S1088 PolarHBondContact O-N 3.47Å; K1085-A1089 WeakPolarHBondContact O-CB 3.4Å; K1085-A1089 PolarHBondContact O-N 3.12Å
1086	C	88.2	Confident	88	Confident	31 Å²	31	48.9 Å²	48.9	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-45	179.5	-61.7	0	0	0	0	112.2	A1054 Q1082 Q1083 A1089 L1090	A1054-C1086 HydrophobicContact CB-CB 4.42Å; Q1082-C1086 PolarHBondContact O-N 2.85Å; Q1082-C1086 PolarHBondContact O-SG 3.4Å; Q1082-C1086 VanDerWaalsContact O-SG 3.33Å; Q1083-C1086 WeakPolarHBondContact O-CB 3.41Å; Q1083-C1086 PolarHBondContact O-N 2.91Å; Q1083-C1086 VanDerWaalsContact O-N 3.15Å; C1086-A1089 PolarHBondContact O-N 3.29Å; C1086-L1090 PolarHBondContact O-N 2.85Å
1087	I	89.8	Confident	87.5	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-46	175.9	-68.3	173.2	0	0	0	110.7	A1054 I1057 V1076 Q1083 K1085 A1089 L1090 L1091 V1101	A1054-I1087 HydrophobicContact CB-CG1 3.67Å; I1057-I1087 HydrophobicContact CD1-CD1 3.99Å; V1076-I1087 HydrophobicContact CG1-CD1 4.01Å; V1076-I1087 HydrophobicContact CG1-CG2 4.24Å; Q1083-I1087 HydrophobicContact CG-CD1 3.84Å; Q1083-I1087 HydrophobicContact CG-CG1 4.34Å; Q1083-I1087 WeakPolarHBondContact O-CG1 3.1Å; Q1083-I1087 PolarHBondContact O-N 3.47Å; K1085-I1087 PolarHBondContact O-N 2.97Å; I1087-A1089 VanDerWaalsContact C-N 3.25Å; I1087-A1089 PolarHBondContact O-N 2.98Å; I1087-L1090 PolarHBondContact O-N 3.11Å; I1087-L1090 VanDerWaalsContact O-N 3.12Å; I1087-L1091 HydrophobicContact CG2-CD1 3.63Å; I1087-L1091 HydrophobicContact CG2-CG 4.33Å; I1087-L1091 WeakPolarHBondContact O-CG 3.3Å; I1087-L1091 PolarHBondContact O-N 3.23Å; I1087-L1091 VanDerWaalsContact O-N 3.1Å; I1087-V1101 HydrophobicContact CG2-CG1 4.22Å; I1087-V1101 HydrophobicContact CG2-CG2 4.38Å
1088	S	88.1	Confident	87.1	Confident	53 Å²	53	55.8 Å²	55.8	37%	0.371	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-28.3	179.7	-55.9	0	0	0	0	113.1	L1084 K1085 L1090 L1091	L1084-S1088 VanDerWaalsContact O-CB 3.25Å; L1084-S1088 WeakPolarHBondContact O-CB 3.12Å; L1084-S1088 PolarHBondContact O-N 3.25Å; L1084-S1088 PolarHBondContact O-OG 3.02Å; K1085-S1088 PolarHBondContact O-N 3.47Å; S1088-L1090 VanDerWaalsContact C-N 3.35Å; S1088-L1091 PolarHBondContact O-N 2.76Å
1089	A	85	Confident	86.9	Confident	46 Å²	46	56.8 Å²	56.8	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-30.1	174.9	0	0	0	0	0	112.9	K1085 C1086 I1087 Q1092	K1085-A1089 WeakPolarHBondContact O-CB 3.4Å; K1085-A1089 PolarHBondContact O-N 3.12Å; C1086-A1089 PolarHBondContact O-N 3.29Å; I1087-A1089 VanDerWaalsContact C-N 3.25Å; I1087-A1089 PolarHBondContact O-N 2.98Å; A1089-Q1092 WeakPolarHBondContact O-CG 3.45Å
1090	L	87.6	Confident	87	Confident	74 Å²	74	57.4 Å²	57.4	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-78.5	-35.1	173.1	-61.4	174.8	0	0	0	111.8	A1054 A1055 H1058 C1086 I1087 S1088 Q1092	A1054-L1090 HydrophobicContact CB-CD1 4.06Å; A1054-L1090 WeakPolarHBondContact O-CD1 3.48Å; A1055-L1090 HydrophobicContact CB-CD1 4.45Å; H1058-L1090 HydrophobicContact CB-CB 4.18Å; H1058-L1090 HydrophobicContact CB-CD1 4.08Å; C1086-L1090 PolarHBondContact O-N 2.85Å; I1087-L1090 PolarHBondContact O-N 3.11Å; I1087-L1090 VanDerWaalsContact O-N 3.12Å; S1088-L1090 VanDerWaalsContact C-N 3.35Å; L1090-Q1092 PolarHBondContact O-N 2.93Å; L1090-Q1092 VanDerWaalsContact O-N 3.13Å
1091	L	88.1	Confident	87.2	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.105	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	26.2	-177.2	-60.6	173.3	0	0	0	114.3	L1061 I1087 S1088 S1093 F1096 V1099 V1101	L1061-L1091 HydrophobicContact CD1-CD1 4.14Å; L1061-L1091 HydrophobicContact CD1-CD2 4Å; I1087-L1091 HydrophobicContact CG2-CD1 3.63Å; I1087-L1091 HydrophobicContact CG2-CG 4.33Å; I1087-L1091 WeakPolarHBondContact O-CG 3.3Å; I1087-L1091 PolarHBondContact O-N 3.23Å; I1087-L1091 VanDerWaalsContact O-N 3.1Å; S1088-L1091 PolarHBondContact O-N 2.76Å; L1091-S1093 VanDerWaalsContact C-N 3.32Å; L1091-S1093 PolarHBondContact O-N 3.3Å; L1091-F1096 HydrophobicContact CB-CB 4.11Å; L1091-F1096 HydrophobicContact CB-CD2 4.13Å; L1091-F1096 HydrophobicContact CB-CG 4.13Å; L1091-F1096 HydrophobicContact CD2-CB 4.24Å; L1091-F1096 HydrophobicContact CD2-CD1 3.47Å; L1091-F1096 VanDerWaalsContact CD2-CD1 3.47Å; L1091-F1096 HydrophobicContact CD2-CD2 3.81Å; L1091-F1096 HydrophobicContact CD2-CE1 3.61Å; L1091-F1096 HydrophobicContact CD2-CE2 3.93Å; L1091-F1096 HydrophobicContact CD2-CG 3.56Å; L1091-F1096 HydrophobicContact CD2-CZ 3.83Å; L1091-F1096 HydrophobicContact CG-CG 4.44Å; L1091-V1099 HydrophobicContact CD1-CG1 4.24Å; L1091-V1101 HydrophobicContact CD1-CG2 3.84Å
1092	Q	82.5	Confident	87.5	Confident	131 Å²	131	49.7 Å²	49.7	61%	0.612	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.9	-179.1	-70	-175.9	10.1	0	0	114.4	A1089 L1090	A1089-Q1092 WeakPolarHBondContact O-CG 3.45Å; L1090-Q1092 PolarHBondContact O-N 2.93Å; L1090-Q1092 VanDerWaalsContact O-N 3.13Å
1093	S	82.9	Confident	87.7	Confident	65 Å²	65	48.2 Å²	48.2	46%	0.455	30%	0.299	S	S	.	.	S	Bend	trans	-65.6	144.4	177.4	-179.7	0	0	0	0	112.1	L1091 A1095 F1096	L1091-S1093 VanDerWaalsContact C-N 3.32Å; L1091-S1093 PolarHBondContact O-N 3.3Å; S1093-A1095 PolarHBondContact O-N 3.42Å; S1093-A1095 VanDerWaalsContact O-N 3.09Å; S1093-F1096 PolarHBondContact O-N 3.18Å
1094	S	83.5	Confident	87.4	Confident	109 Å²	109	48.6 Å²	48.6	76%	0.762	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-57.3	-25.4	178.5	55.4	0	0	0	0	113.5	F1096 S1097	S1094-F1096 PolarHBondContact O-N 2.88Å; S1094-S1097 WeakPolarHBondContact O-CB 3.47Å; S1094-S1097 PolarHBondContact O-N 3.37Å; S1094-S1097 VanDerWaalsContact O-N 3.09Å
1095	A	83.8	Confident	87.1	Confident	51 Å²	51	49.9 Å²	49.9	42%	0.421	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-58.1	-26.8	173.7	0	0	0	0	0	113.7	P1071 S1093	P1071-A1095 VanDerWaalsContact CG-O 3.24Å; P1071-A1095 WeakPolarHBondContact CG-O 3.45Å; S1093-A1095 PolarHBondContact O-N 3.42Å; S1093-A1095 VanDerWaalsContact O-N 3.09Å
1096	F	88.1	Confident	86.9	Confident	14 Å²	14	51 Å²	51	6%	0.061	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-95.4	4.2	179.2	-54.1	-67.9	0	0	0	113.6	H1058 L1061 S1062 I1065 L1091 S1093 S1094 G1098 V1099	H1058-F1096 AromaticContact CD2-CE2 3.83Å; H1058-F1096 AromaticContact CD2-CZ 3.68Å; H1058-F1096 AromaticContact NE2-CE2 3.58Å; H1058-F1096 AromaticContact NE2-CZ 3.56Å; L1061-F1096 HydrophobicContact CB-CE1 4.12Å; S1062-F1096 WeakPolarHBondContact OG-CZ 3.47Å; I1065-F1096 HydrophobicContact CD1-CD1 3.53Å; I1065-F1096 HydrophobicContact CD1-CE1 3.89Å; L1091-F1096 HydrophobicContact CB-CB 4.11Å; L1091-F1096 HydrophobicContact CB-CD2 4.13Å; L1091-F1096 HydrophobicContact CB-CG 4.13Å; L1091-F1096 HydrophobicContact CD2-CB 4.24Å; L1091-F1096 HydrophobicContact CD2-CD1 3.47Å; L1091-F1096 VanDerWaalsContact CD2-CD1 3.47Å; L1091-F1096 HydrophobicContact CD2-CD2 3.81Å; L1091-F1096 HydrophobicContact CD2-CE1 3.61Å; L1091-F1096 HydrophobicContact CD2-CE2 3.93Å; L1091-F1096 HydrophobicContact CD2-CG 3.56Å; L1091-F1096 HydrophobicContact CD2-CZ 3.83Å; L1091-F1096 HydrophobicContact CG-CG 4.44Å; S1093-F1096 PolarHBondContact O-N 3.18Å; S1094-F1096 PolarHBondContact O-N 2.88Å; F1096-G1098 PolarHBondContact O-N 3Å; F1096-V1099 HydrophobicContact CB-CG2 4.18Å; F1096-V1099 HydrophobicContact CD1-CG2 4.48Å; F1096-V1099 WeakPolarHBondContact O-CB 3.48Å; F1096-V1099 WeakPolarHBondContact O-CG2 3.35Å; F1096-V1099 PolarHBondContact O-N 3.48Å
1097	S	87.4	Confident	86.5	Confident	99 Å²	99	49.5 Å²	49.5	69%	0.692	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	107.3	-177.6	-170.6	0	0	0	0	111.5	P1071 S1094	P1071-S1097 VanDerWaalsContact CB-O 3.3Å; P1071-S1097 WeakPolarHBondContact CB-O 3.34Å; S1094-S1097 WeakPolarHBondContact O-CB 3.47Å; S1094-S1097 PolarHBondContact O-N 3.37Å; S1094-S1097 VanDerWaalsContact O-N 3.09Å
1098	G	86	Confident	86	Confident	45 Å²	45	51.1 Å²	51.1	46%	0.464	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.4	-11.7	-175.6	0	0	0	0	0	115.4	P1071 G1072 F1096 E1100	P1071-G1098 CarbonylContact O-C 3.55Å; G1072-G1098 WeakPolarHBondContact CA-O 3.4Å; F1096-G1098 PolarHBondContact O-N 3Å; G1098-E1100 PolarHBondContact O-N 3.29Å
1099	V	91.1	Very high	85.2	Confident	22 Å²	22	51 Å²	51	13%	0.133	31%	0.313	C	S	.	.			trans	-63	128.9	167.1	179.1	0	0	0	0	108.5	L1061 I1065 P1071 I1074 V1076 L1091 F1096 V1101	L1061-V1099 HydrophobicContact CD1-CG1 4.48Å; I1065-V1099 HydrophobicContact CD1-CG2 4.31Å; P1071-V1099 HydrophobicContact CB-CG2 3.96Å; P1071-V1099 WeakPolarHBondContact O-CA 3.31Å; P1071-V1099 PolarHBondContact O-N 2.92Å; I1074-V1099 HydrophobicContact CB-CG1 4.45Å; I1074-V1099 HydrophobicContact CB-CG2 4.31Å; I1074-V1099 HydrophobicContact CD1-CG2 4.44Å; I1074-V1099 HydrophobicContact CG2-CG1 4.01Å; I1074-V1099 HydrophobicContact CG2-CG2 4.44Å; V1076-V1099 HydrophobicContact CG2-CG1 4.03Å; L1091-V1099 HydrophobicContact CD1-CG1 4.24Å; F1096-V1099 HydrophobicContact CB-CG2 4.18Å; F1096-V1099 HydrophobicContact CD1-CG2 4.48Å; F1096-V1099 WeakPolarHBondContact O-CB 3.48Å; F1096-V1099 WeakPolarHBondContact O-CG2 3.35Å; F1096-V1099 PolarHBondContact O-N 3.48Å; V1099-V1101 HydrophobicContact CG1-CG2 4.38Å
1100	E	91.4	Very high	85.1	Confident	34 Å²	34	54.4 Å²	54.4	16%	0.159	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.3	-178.4	179.8	-175.4	179.8	0	0	110.4	G1075 V1076 G1098 N1102 Y1107 R1110 K1112	G1075-E1100 CarbonylContact C-O 3.59Å; G1075-E1100 WeakPolarHBondContact CA-O 3.31Å; V1076-E1100 PolarHBondContact N-O 3.28Å; G1098-E1100 PolarHBondContact O-N 3.29Å; E1100-N1102 PolarHBondContact OE1-ND2 3.01Å; E1100-N1102 VanDerWaalsContact OE1-ND2 3.11Å; E1100-Y1107 VanDerWaalsContact CB-OH 3.23Å; E1100-Y1107 WeakPolarHBondContact CB-OH 3.14Å; E1100-Y1107 HydrophobicContact CG-CE2 4.35Å; E1100-Y1107 VanDerWaalsContact CG-OH 3.23Å; E1100-Y1107 WeakPolarHBondContact CG-OH 3.49Å; E1100-Y1107 PolarHBondContact O-OH 2.66Å; E1100-R1110 VanDerWaalsContact OE1-CD 3.23Å; E1100-R1110 WeakPolarHBondContact OE1-CD 3.4Å; E1100-R1110 IonicContact OE1-CZ 3.42Å; E1100-R1110 IonicContact OE1-NE 3.2Å; E1100-R1110 IonicContact OE1-NH1 3.04Å; E1100-R1110 PolarHBondContact OE1-NH1 3.32Å; E1100-R1110 IonicContact OE2-NH1 3.34Å; E1100-K1112 WeakPolarHBondContact OE2-CE 3.14Å; E1100-K1112 IonicContact OE2-NZ 2.76Å
1101	V	91.8	Very high	85.3	Confident	29 Å²	29	53.5 Å²	53.5	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.7	-178.3	-176.5	0	0	0	0	108.5	V1076 L1084 I1087 L1091 V1099	V1076-V1101 HydrophobicContact CB-CG2 4.25Å; V1076-V1101 HydrophobicContact CG2-CG2 4.4Å; L1084-V1101 HydrophobicContact CB-CG1 4.12Å; L1084-V1101 HydrophobicContact CD2-CG1 3.65Å; L1084-V1101 HydrophobicContact CG-CG1 4.46Å; I1087-V1101 HydrophobicContact CG2-CG1 4.22Å; I1087-V1101 HydrophobicContact CG2-CG2 4.38Å; L1091-V1101 HydrophobicContact CD1-CG2 3.84Å; V1099-V1101 HydrophobicContact CG1-CG2 4.38Å
1102	N	90.3	Very high	85.6	Confident	26 Å²	26	53.7 Å²	53.7	14%	0.139	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	163	-170.5	-97.6	-45.6	0	0	0	112.9	V1076 L1084 E1100 R1106 Y1107	V1076-N1102 PolarHBondContact O-N 3.49Å; V1076-N1102 VanDerWaalsContact O-N 3.1Å; L1084-N1102 VanDerWaalsContact CD1-C 3.43Å; E1100-N1102 PolarHBondContact OE1-ND2 3.01Å; E1100-N1102 VanDerWaalsContact OE1-ND2 3.11Å; N1102-R1106 HydrophobicContact CB-CB 3.96Å; N1102-R1106 WeakPolarHBondContact OD1-CD 3.25Å; N1102-Y1107 HydrophobicContact CB-CD2 3.54Å; N1102-Y1107 HydrophobicContact CB-CE2 3.55Å
1103	T	88.8	Confident	86.3	Confident	10 Å²	10	48 Å²	48	6%	0.061	29%	0.286	C	S	.	.			trans	-74.2	162.3	169.9	70.6	0	0	0	0	110.8	R1081 L1084 D1105 R1106 Y1107	R1081-T1103 HydrophobicContact CG-CG2 3.95Å; L1084-T1103 HydrophobicContact CD1-CG2 3.49Å; L1084-T1103 VanDerWaalsContact CD1-CG2 3.49Å; T1103-D1105 WeakPolarHBondContact CB-OD2 3.47Å; T1103-D1105 PolarHBondContact O-N 2.99Å; T1103-D1105 PolarHBondContact OG1-OD2 3.34Å; T1103-R1106 PolarHBondContact O-N 3.05Å; T1103-R1106 VanDerWaalsContact O-N 3.09Å; T1103-Y1107 PolarHBondContact O-N 3Å; T1103-Y1107 VanDerWaalsContact O-N 3.1Å
1104	V	86.9	Confident	87	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.048	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-45.8	172.7	-175.7	0	0	0	0	111.8	I1077 R1106 Y1107 Q1108 R1138 V1141 A1142	I1077-V1104 HydrophobicContact CG2-CB 4.5Å; I1077-V1104 HydrophobicContact CG2-CG2 3.7Å; V1104-R1106 PolarHBondContact O-N 2.86Å; V1104-Y1107 WeakPolarHBondContact O-CB 3.39Å; V1104-Y1107 PolarHBondContact O-N 3.02Å; V1104-Y1107 VanDerWaalsContact O-N 3.15Å; V1104-Q1108 PolarHBondContact O-N 2.68Å; V1104-R1138 HydrophobicContact CG1-CB 4.27Å; V1104-R1138 HydrophobicContact CG1-CG 4.46Å; V1104-R1138 WeakPolarHBondContact CG1-O 3.34Å; V1104-V1141 HydrophobicContact CG1-CB 3.83Å; V1104-V1141 HydrophobicContact CG1-CG1 3.66Å; V1104-A1142 HydrophobicContact CG1-CB 4.43Å; V1104-A1142 HydrophobicContact CG2-CB 4.2Å
1105	D	82.3	Confident	87.6	Confident	45 Å²	45	39.7 Å²	39.7	24%	0.241	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.7	-178.5	-32	-114.3	0	0	0	112.1	L925 T1103 Y1107 Q1108 R1138	L925-D1105 HydrophobicContact CD1-CB 4.08Å; T1103-D1105 WeakPolarHBondContact CB-OD2 3.47Å; T1103-D1105 PolarHBondContact O-N 2.99Å; T1103-D1105 PolarHBondContact OG1-OD2 3.34Å; D1105-Y1107 VanDerWaalsContact C-N 3.27Å; D1105-Y1107 PolarHBondContact O-N 3.28Å; D1105-Q1108 WeakPolarHBondContact O-CB 3.24Å; D1105-Q1108 PolarHBondContact O-N 3.13Å; D1105-R1138 VanDerWaalsContact CG-NH1 3.31Å; D1105-R1138 IonicContact OD1-CZ 2.68Å; D1105-R1138 IonicContact OD1-NH1 3.22Å; D1105-R1138 PolarHBondContact OD1-NH1 3.38Å; D1105-R1138 IonicContact OD1-NH2 3.11Å; D1105-R1138 PolarHBondContact OD1-NH2 2.84Å; D1105-R1138 IonicContact OD2-NH1 3.97Å; D1105-R1138 PolarHBondContact OD2-NH1 3.31Å
1106	R	81	Confident	88.3	Confident	158 Å²	158	37.3 Å²	37.3	60%	0.596	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.4	177.9	-74.8	-173	169.3	-168.9	-4.7	112.9	N1102 T1103 V1104 R1110	N1102-R1106 HydrophobicContact CB-CB 3.96Å; N1102-R1106 WeakPolarHBondContact OD1-CD 3.25Å; T1103-R1106 PolarHBondContact O-N 3.05Å; T1103-R1106 VanDerWaalsContact O-N 3.09Å; V1104-R1106 PolarHBondContact O-N 2.86Å; R1106-R1110 PolarHBondContact O-NE 3.43Å
1107	Y	81	Confident	88.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.5	175.8	-104.6	-71.6	0	0	0	114.7	G1075 V1076 I1077 E1100 N1102 T1103 V1104 D1105 R1110 K1112 I1115 R1145	G1075-Y1107 WeakPolarHBondContact CA-OH 3.47Å; V1076-Y1107 WeakPolarHBondContact O-CE2 3.35Å; I1077-Y1107 HydrophobicContact CD1-CD1 4.38Å; I1077-Y1107 HydrophobicContact CD1-CD2 3.98Å; I1077-Y1107 HydrophobicContact CD1-CE2 4.42Å; I1077-Y1107 HydrophobicContact CD1-CG 3.95Å; I1077-Y1107 HydrophobicContact CG1-CD2 3.61Å; I1077-Y1107 HydrophobicContact CG1-CE2 3.75Å; I1077-Y1107 HydrophobicContact CG1-CG 4.12Å; E1100-Y1107 VanDerWaalsContact CB-OH 3.23Å; E1100-Y1107 WeakPolarHBondContact CB-OH 3.14Å; E1100-Y1107 HydrophobicContact CG-CE2 4.35Å; E1100-Y1107 VanDerWaalsContact CG-OH 3.23Å; E1100-Y1107 WeakPolarHBondContact CG-OH 3.49Å; E1100-Y1107 PolarHBondContact O-OH 2.66Å; N1102-Y1107 HydrophobicContact CB-CD2 3.54Å; N1102-Y1107 HydrophobicContact CB-CE2 3.55Å; T1103-Y1107 PolarHBondContact O-N 3Å; T1103-Y1107 VanDerWaalsContact O-N 3.1Å; V1104-Y1107 WeakPolarHBondContact O-CB 3.39Å; V1104-Y1107 PolarHBondContact O-N 3.02Å; V1104-Y1107 VanDerWaalsContact O-N 3.15Å; D1105-Y1107 VanDerWaalsContact C-N 3.27Å; D1105-Y1107 PolarHBondContact O-N 3.28Å; Y1107-R1110 HydrophobicContact CD1-CB 4.04Å; Y1107-R1110 HydrophobicContact CE1-CB 4.49Å; Y1107-R1110 WeakPolarHBondContact O-CB 3.47Å; Y1107-R1110 PolarHBondContact O-N 3.07Å; Y1107-R1110 VanDerWaalsContact O-N 3.13Å; Y1107-K1112 HydrophobicContact CE1-CG 4.25Å; Y1107-I1115 HydrophobicContact CE1-CD1 4.23Å; Y1107-R1145 HydrophobicContact CD1-CG 4.13Å; Y1107-R1145 HydrophobicContact CG-CG 4.38Å; Y1107-R1145 VanDerWaalsContact O-CD 3.31Å; Y1107-R1145 WeakPolarHBondContact O-CD 3.35Å
1108	Q	78.8	Confident	89.2	Confident	35 Å²	35	32.2 Å²	32.2	16%	0.164	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	145	178.1	-163.7	150.7	17.4	0	0	111.6	Q900 V1104 D1105 R1110	Q900-Q1108 VanDerWaalsContact CD-CD 3.42Å; V1104-Q1108 PolarHBondContact O-N 2.68Å; D1105-Q1108 WeakPolarHBondContact O-CB 3.24Å; D1105-Q1108 PolarHBondContact O-N 3.13Å; Q1108-R1110 PolarHBondContact O-N 2.93Å
1109	G	71.1	Confident	89.6	Confident	49 Å²	49	30.1 Å²	30.1	51%	0.505	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	-28.9	-169.6	0	0	0	0	0	115.9
1110	R	83.8	Confident	89.7	Confident	119 Å²	119	29.1 Å²	29.1	45%	0.449	15%	0.145	S	C	.	.			trans	-78	167.7	-177.3	-49.9	-178.6	-166.8	-134.5	-11.2	112.8	R962 E1100 R1106 Y1107 Q1108 R1145	R962-R1110 PolarHBondContact NH2-O 3.36Å; E1100-R1110 VanDerWaalsContact OE1-CD 3.23Å; E1100-R1110 WeakPolarHBondContact OE1-CD 3.4Å; E1100-R1110 IonicContact OE1-CZ 3.42Å; E1100-R1110 IonicContact OE1-NE 3.2Å; E1100-R1110 IonicContact OE1-NH1 3.04Å; E1100-R1110 PolarHBondContact OE1-NH1 3.32Å; E1100-R1110 IonicContact OE2-NH1 3.34Å; R1106-R1110 PolarHBondContact O-NE 3.43Å; Y1107-R1110 HydrophobicContact CD1-CB 4.04Å; Y1107-R1110 HydrophobicContact CE1-CB 4.49Å; Y1107-R1110 WeakPolarHBondContact O-CB 3.47Å; Y1107-R1110 PolarHBondContact O-N 3.07Å; Y1107-R1110 VanDerWaalsContact O-N 3.13Å; Q1108-R1110 PolarHBondContact O-N 2.93Å; R1110-R1145 WeakPolarHBondContact O-CD 3.43Å; R1110-R1145 PolarHBondContact O-NH1 3.28Å
1111	D	90.4	Very high	89.7	Confident	54 Å²	54	28.4 Å²	28.4	29%	0.289	14%	0.142	S	C	.	.			trans	-156	160.1	165.7	48.3	51.8	0	0	0	112.2	R962 R1145 K1147	R962-D1111 HydrophobicContact CG-CB 4.37Å; R962-D1111 IonicContact CZ-OD2 3.45Å; R962-D1111 IonicContact NE-OD2 2.7Å; R962-D1111 PolarHBondContact NE-OD2 3.36Å; R962-D1111 IonicContact NH2-OD2 2.97Å; R962-D1111 PolarHBondContact NH2-OD2 3.23Å; D1111-R1145 VanDerWaalsContact CA-O 3.27Å; D1111-R1145 WeakPolarHBondContact CA-O 3.46Å; D1111-R1145 WeakPolarHBondContact CB-O 3.25Å; D1111-K1147 VanDerWaalsContact CG-CE 3.41Å; D1111-K1147 WeakPolarHBondContact OD1-CE 3.34Å; D1111-K1147 IonicContact OD1-NZ 2.63Å; D1111-K1147 PolarHBondContact OD1-NZ 2.86Å
1112	K	95.5	Very high	89.6	Confident	24 Å²	24	27.4 Å²	27.4	10%	0.104	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.9	-177.6	-68.3	-72.9	-173.3	138.6	0	110.7	G1072 I1074 E1100 Y1107 L1114 I1115 R1145 A1146 K1147	G1072-K1112 PolarHBondContact O-NZ 3.28Å; I1074-K1112 WeakPolarHBondContact O-CD 3.47Å; I1074-K1112 WeakPolarHBondContact O-CE 3.45Å; I1074-K1112 PolarHBondContact O-NZ 3.17Å; E1100-K1112 WeakPolarHBondContact OE2-CE 3.14Å; E1100-K1112 IonicContact OE2-NZ 2.76Å; Y1107-K1112 HydrophobicContact CE1-CG 4.25Å; K1112-L1114 WeakPolarHBondContact CB-O 3.31Å; K1112-I1115 HydrophobicContact CB-CD1 3.69Å; K1112-I1115 HydrophobicContact CB-CG1 4.2Å; K1112-I1115 HydrophobicContact CG-CD1 3.97Å; K1112-R1145 PolarHBondContact N-O 3.24Å; K1112-A1146 CarbonylContact O-C 3.51Å; K1112-K1147 WeakPolarHBondContact O-CG 3.19Å; K1112-K1147 PolarHBondContact O-N 3.44Å
1113	S	96.2	Very high	89.3	Confident	12 Å²	12	27.8 Å²	27.8	8%	0.084	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-41.8	177.3	-68.6	0	0	0	0	111.2	D1073 H1148 K1149	D1073-S1113 PolarHBondContact O-N 3.46Å; D1073-S1113 WeakPolarHBondContact OD1-CB 3.38Å; D1073-S1113 PolarHBondContact OD1-OG 3.46Å; S1113-H1148 WeakPolarHBondContact CB-ND1 3.22Å; S1113-H1148 PolarHBondContact O-N 2.77Å; S1113-H1148 VanDerWaalsContact O-N 3.08Å; S1113-H1148 PolarHBondContact OG-ND1 2.96Å; S1113-K1149 PolarHBondContact O-N 3.38Å
1114	L	97.3	Very high	88.5	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.7	170	171.8	66	0	0	0	110.2	L992 L1061 L1064 D1073 I1074 G1075 K1112 V1116 K1149 L1151	L992-L1114 HydrophobicContact CD2-CB 4.5Å; L1061-L1114 HydrophobicContact CD2-CD2 4.27Å; L1064-L1114 HydrophobicContact CD1-CD2 3.68Å; D1073-L1114 PolarHBondContact O-N 2.9Å; D1073-L1114 VanDerWaalsContact O-N 3.11Å; I1074-L1114 HydrophobicContact CD1-CD2 4.33Å; I1074-L1114 HydrophobicContact CG1-CB 4.42Å; I1074-L1114 HydrophobicContact CG1-CD2 4.1Å; I1074-L1114 HydrophobicContact CG2-CD2 4.12Å; I1074-L1114 HydrophobicContact CG2-CG 4.48Å; G1075-L1114 PolarHBondContact N-O 2.82Å; K1112-L1114 WeakPolarHBondContact CB-O 3.31Å; L1114-V1116 HydrophobicContact CD2-CG2 4.43Å; L1114-V1116 HydrophobicContact CG-CG2 4.38Å; L1114-K1149 WeakPolarHBondContact CA-O 3.39Å; L1114-K1149 HydrophobicContact CD1-CB 3.87Å; L1114-K1149 HydrophobicContact CD1-CD 4.03Å; L1114-K1149 HydrophobicContact CD1-CG 3.84Å; L1114-L1151 HydrophobicContact CD1-CD1 4.01Å; L1114-L1151 HydrophobicContact CD1-CG 4.09Å
1115	I	97.8	Very high	87.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.6	163.8	-67.5	-69.7	0	0	0	110	G1075 I1077 Y1107 K1112 R1145 A1146 K1149 L1150 L1151	G1075-I1115 CarbonylContact O-C 3.6Å; G1075-I1115 WeakPolarHBondContact O-CA 3.03Å; I1077-I1115 HydrophobicContact CD1-CD1 4.21Å; I1077-I1115 HydrophobicContact CD1-CG2 3.8Å; I1077-I1115 HydrophobicContact CG1-CG2 4.1Å; Y1107-I1115 HydrophobicContact CE1-CD1 4.23Å; K1112-I1115 HydrophobicContact CB-CD1 3.69Å; K1112-I1115 HydrophobicContact CB-CG1 4.2Å; K1112-I1115 HydrophobicContact CG-CD1 3.97Å; I1115-R1145 HydrophobicContact CD1-CB 3.73Å; I1115-R1145 HydrophobicContact CG1-CB 3.71Å; I1115-A1146 HydrophobicContact CB-CB 4.08Å; I1115-A1146 HydrophobicContact CG1-CB 4.03Å; I1115-K1149 PolarHBondContact N-O 3.08Å; I1115-L1150 HydrophobicContact CB-CD1 4.05Å; I1115-L1150 HydrophobicContact CG2-CD1 3.79Å; I1115-L1151 PolarHBondContact O-N 2.88Å
1116	V	97.8	Very high	86.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.5	168.3	-169.8	0	0	0	0	109	I1057 L1061 G1075 V1076 I1077 L1114 L1151 V1153	I1057-V1116 HydrophobicContact CD1-CG1 4.19Å; I1057-V1116 HydrophobicContact CG1-CG1 3.86Å; I1057-V1116 HydrophobicContact CG2-CG1 4.07Å; L1061-V1116 HydrophobicContact CD2-CG2 3.97Å; G1075-V1116 PolarHBondContact O-N 2.95Å; V1076-V1116 CarbonylContact C-O 3.52Å; V1076-V1116 WeakPolarHBondContact CA-O 3.48Å; V1076-V1116 HydrophobicContact CG1-CB 4.43Å; V1076-V1116 HydrophobicContact CG2-CB 4.48Å; I1077-V1116 PolarHBondContact N-O 2.93Å; L1114-V1116 HydrophobicContact CD2-CG2 4.43Å; L1114-V1116 HydrophobicContact CG-CG2 4.38Å; V1116-L1151 CarbonylContact C-O 3.15Å; V1116-L1151 WeakPolarHBondContact CA-O 3.32Å; V1116-L1151 HydrophobicContact CG1-CB 4.31Å; V1116-L1151 HydrophobicContact CG2-CB 4.33Å; V1116-L1151 HydrophobicContact CG2-CD1 4.29Å; V1116-V1153 HydrophobicContact CG1-CG2 4.47Å
1117	L	97	Very high	85.6	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.1	-179.9	177	58.9	0	0	0	110.4	I1077 F1119 A1142 L1151 M1152 V1153	I1077-L1117 HydrophobicContact CB-CD1 4Å; I1077-L1117 HydrophobicContact CG2-CD1 3.88Å; I1077-L1117 WeakPolarHBondContact O-CA 3.41Å; L1117-F1119 HydrophobicContact CD2-CE1 4.34Å; L1117-F1119 HydrophobicContact CD2-CE2 3.77Å; L1117-F1119 HydrophobicContact CD2-CZ 3.65Å; L1117-F1119 HydrophobicContact CG-CD2 4.31Å; L1117-F1119 HydrophobicContact CG-CE2 3.99Å; L1117-F1119 HydrophobicContact CG-CZ 4.26Å; L1117-A1142 HydrophobicContact CD1-CB 4.13Å; L1117-A1142 HydrophobicContact CD2-CB 4.05Å; L1117-L1151 PolarHBondContact N-O 2.99Å; L1117-M1152 HydrophobicContact CB-CG 4.13Å; L1117-M1152 HydrophobicContact CD2-CG 4.23Å; L1117-M1152 WeakPolarHBondContact O-CA 3.31Å; L1117-V1153 PolarHBondContact O-N 2.68Å
1118	S	96.6	Very high	84.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.7	171.9	-177.2	0	0	0	0	108.8	E1053 I1077 P1079 Q1083	E1053-S1118 WeakPolarHBondContact OE2-CA 3.26Å; E1053-S1118 WeakPolarHBondContact OE2-CB 3.47Å; E1053-S1118 PolarHBondContact OE2-OG 3.37Å; I1077-S1118 PolarHBondContact O-N 2.56Å; P1079-S1118 WeakPolarHBondContact CD-O 3.19Å; Q1083-S1118 PolarHBondContact NE2-OG 3.19Å
1119	F	94.4	Very high	84.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	26%	0.257	C	S	.	.			trans	-83.3	-23.8	177.8	-82	-83.6	0	0	0	113	F1031 E1053 L1117 R1121 L1133 L1139 M1152 V1153 L1159 V1165 L1168	F1031-F1119 HydrophobicContact CD2-CE2 4.43Å; F1031-F1119 HydrophobicContact CE2-CD2 4.07Å; F1031-F1119 AromaticContact CE2-CE2 3.88Å; F1031-F1119 HydrophobicContact CE2-CE2 3.88Å; E1053-F1119 PolarHBondContact OE2-N 2.78Å; L1117-F1119 HydrophobicContact CD2-CE1 4.34Å; L1117-F1119 HydrophobicContact CD2-CE2 3.77Å; L1117-F1119 HydrophobicContact CD2-CZ 3.65Å; L1117-F1119 HydrophobicContact CG-CD2 4.31Å; L1117-F1119 HydrophobicContact CG-CE2 3.99Å; L1117-F1119 HydrophobicContact CG-CZ 4.26Å; F1119-R1121 PolarHBondContact O-N 2.77Å; F1119-L1133 HydrophobicContact CD1-CD1 4.2Å; F1119-L1133 HydrophobicContact CD1-CD2 4.01Å; F1119-L1133 HydrophobicContact CE1-CD2 4.33Å; F1119-L1139 HydrophobicContact CE1-CD1 3.89Å; F1119-L1139 HydrophobicContact CZ-CD1 3.87Å; F1119-M1152 HydrophobicContact CE2-CB 4.07Å; F1119-M1152 HydrophobicContact CE2-CG 4.14Å; F1119-M1152 HydrophobicContact CE2-SD 4.38Å; F1119-V1153 PolarHBondContact N-O 2.98Å; F1119-L1159 HydrophobicContact CB-CD1 3.59Å; F1119-L1159 HydrophobicContact CB-CD2 3.98Å; F1119-L1159 HydrophobicContact CB-CG 4.41Å; F1119-L1159 HydrophobicContact CD1-CD1 4.11Å; F1119-L1159 HydrophobicContact CD1-CD2 3.9Å; F1119-L1159 HydrophobicContact CD2-CD1 4.13Å; F1119-L1159 HydrophobicContact CG-CD1 3.69Å; F1119-L1159 HydrophobicContact CG-CD2 4.18Å; F1119-V1165 HydrophobicContact CE1-CG1 4.01Å; F1119-V1165 HydrophobicContact CE1-CG2 4.23Å; F1119-V1165 HydrophobicContact CZ-CG1 4.32Å; F1119-L1168 HydrophobicContact CZ-CD2 4.39Å
1120	V	93.6	Very high	84.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.247	C	C	.	.			trans	68.6	-45.6	174.7	-160.2	0	0	0	0	115.2	V1048 S1049 N1050 E1053 A1078 P1079 Y1080 Q1083 S1122	V1048-V1120 HydrophobicContact CG1-CG1 4.02Å; S1049-V1120 VanDerWaalsContact C-CG1 3.43Å; N1050-V1120 HydrophobicContact CB-CG1 3.78Å; N1050-V1120 PolarHBondContact ND2-O 2.86Å; E1053-V1120 WeakPolarHBondContact OE1-CA 3.22Å; E1053-V1120 PolarHBondContact OE1-N 2.88Å; E1053-V1120 PolarHBondContact OE2-N 2.97Å; A1078-V1120 HydrophobicContact CB-CG2 4.4Å; P1079-V1120 HydrophobicContact CG-CG2 4.46Å; Y1080-V1120 HydrophobicContact CD2-CB 3.9Å; Y1080-V1120 HydrophobicContact CD2-CG1 4.23Å; Y1080-V1120 HydrophobicContact CD2-CG2 4.01Å; Y1080-V1120 HydrophobicContact CE2-CB 4.44Å; Q1083-V1120 HydrophobicContact CB-CG1 4.28Å; Q1083-V1120 HydrophobicContact CB-CG2 3.78Å; Q1083-V1120 HydrophobicContact CG-CG1 4.43Å; Q1083-V1120 HydrophobicContact CG-CG2 3.61Å; V1120-S1122 PolarHBondContact O-N 3.22Å
1121	R	91.6	Very high	84.2	Confident	20 Å²	20	43.6 Å²	43.6	8%	0.075	25%	0.249	C	C	.	.			trans	-64.5	118.3	-173.8	-65.8	-60	-62.5	158.6	16.4	110.8	E1041 Y1080 F1119 L1133 T1158 L1159 Y1162	E1041-R1121 IonicContact OE1-CZ 3.6Å; E1041-R1121 IonicContact OE1-NH1 3.56Å; E1041-R1121 PolarHBondContact OE1-NH1 3.38Å; E1041-R1121 IonicContact OE1-NH2 2.77Å; E1041-R1121 PolarHBondContact OE1-NH2 2.79Å; E1041-R1121 WeakPolarHBondContact OE2-CA 3.42Å; E1041-R1121 IonicContact OE2-CZ 2.69Å; E1041-R1121 IonicContact OE2-NE 3.65Å; E1041-R1121 PolarHBondContact OE2-NE 2.8Å; E1041-R1121 IonicContact OE2-NH1 3.19Å; E1041-R1121 PolarHBondContact OE2-NH1 2.85Å; E1041-R1121 VanDerWaalsContact OE2-NH1 3.12Å; E1041-R1121 IonicContact OE2-NH2 2.86Å; E1041-R1121 PolarHBondContact OE2-NH2 3.31Å; Y1080-R1121 HydrophobicContact CE2-CG 4.03Å; Y1080-R1121 WeakPolarHBondContact OH-CD 3.47Å; F1119-R1121 PolarHBondContact O-N 2.77Å; R1121-L1133 HydrophobicContact CB-CD1 4.29Å; R1121-L1133 HydrophobicContact CG-CD1 3.75Å; R1121-T1158 HydrophobicContact CB-CG2 4.41Å; R1121-L1159 HydrophobicContact CB-CD2 4.37Å; R1121-Y1162 HydrophobicContact CB-CE2 4.45Å; R1121-Y1162 HydrophobicContact CG-CE2 4.33Å
1122	S	89.7	Confident	83.6	Confident	8 Å²	8	44 Å²	44	6%	0.056	25%	0.251	C	S	.	.			trans	-161.7	99.4	-176.7	-174	0	0	0	0	109.2	A1039 E1041 V1120 S1155	A1039-S1122 WeakPolarHBondContact O-CB 3.31Å; A1039-S1122 PolarHBondContact O-OG 3.48Å; E1041-S1122 WeakPolarHBondContact CG-O 3.31Å; E1041-S1122 PolarHBondContact N-O 3.35Å; E1041-S1122 PolarHBondContact OE2-N 2.7Å; V1120-S1122 PolarHBondContact O-N 3.22Å; S1122-S1155 WeakPolarHBondContact OG-CB 3.01Å
1123	T	84.3	Confident	83	Confident	33 Å²	33	43.7 Å²	43.7	20%	0.202	25%	0.25	C	S	.	.			trans	-138.2	147.9	-178	-178.8	0	0	0	0	110.5	E1125 T1158	T1123-E1125 PolarHBondContact OG1-N 2.81Å; T1123-E1125 VanDerWaalsContact OG1-N 3.08Å; T1123-T1158 HydrophobicContact CG2-CG2 4.01Å; T1123-T1158 PolarHBondContact N-OG1 2.93Å; T1123-T1158 PolarHBondContact O-OG1 3.27Å
1124	A	71.2	Confident	82.6	Confident	98 Å²	98	47 Å²	47	81%	0.81	26%	0.263	S	S	*	.	S	Bend	trans	-85.8	-11.1	171.2	0	0	0	0	0	112.7
1125	E	67.2	Low	82	Confident	143 Å²	143	49 Å²	49	67%	0.668	27%	0.273	S	S	*	.	S	Bend	trans	-90.5	145.4	-177.2	-64.7	176	-176.4	0	0	112.3	T1123 G1127 R1161	T1123-E1125 PolarHBondContact OG1-N 2.81Å; T1123-E1125 VanDerWaalsContact OG1-N 3.08Å; E1125-G1127 PolarHBondContact O-N 2.99Å; E1125-G1127 VanDerWaalsContact O-N 3.15Å; E1125-R1161 PolarHBondContact O-NH1 3.24Å
1126	E	60.9	Low	81.6	Confident	182 Å²	182	52.7 Å²	52.7	85%	0.85	29%	0.288	S	S	*	.			trans	-73.7	2.5	173.2	-58.8	-159.5	142.8	0	0	113.5	R1161	E1126-R1161 VanDerWaalsContact C-NH2 3.34Å; E1126-R1161 PolarHBondContact O-NH2 3.11Å
1127	G	60.8	Low	81.3	Confident	39 Å²	39	55.3 Å²	55.3	40%	0.402	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-51.5	160.5	179.6	0	0	0	0	0	115.6	E1125 L1129 R1161	E1125-G1127 PolarHBondContact O-N 2.99Å; E1125-G1127 VanDerWaalsContact O-N 3.15Å; G1127-L1129 PolarHBondContact O-N 3.27Å; G1127-R1161 PolarHBondContact O-NH2 3.43Å; G1127-R1161 VanDerWaalsContact O-NH2 3.16Å
1128	N	63.1	Low	81	Confident	149 Å²	149	57.3 Å²	57.3	80%	0.797	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-63.8	124.7	-168	-167.6	0.3	0	0	0	112.8
1129	L	71.4	Confident	80.7	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.058	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-85.3	118.8	-174.4	-74.4	178.5	0	0	0	112.5	G1127 K1134 T1158 R1161 Y1162	G1127-L1129 PolarHBondContact O-N 3.27Å; L1129-K1134 VanDerWaalsContact O-CE 3.29Å; L1129-K1134 WeakPolarHBondContact O-CE 3.47Å; L1129-K1134 PolarHBondContact O-NZ 2.66Å; L1129-T1158 HydrophobicContact CD2-CG2 4.28Å; L1129-R1161 HydrophobicContact CD1-CB 3.26Å; L1129-R1161 HydrophobicContact CD1-CG 4.16Å; L1129-Y1162 HydrophobicContact CB-CE1 3.93Å; L1129-Y1162 HydrophobicContact CB-CE2 4.4Å; L1129-Y1162 HydrophobicContact CD1-CD2 4.41Å; L1129-Y1162 HydrophobicContact CD1-CE2 4.07Å; L1129-Y1162 HydrophobicContact CD2-CE2 4.28Å
1130	G	73.6	Confident	80.6	Confident	29 Å²	29	57.7 Å²	57.7	30%	0.299	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-56.9	138.8	-175.7	0	0	0	0	0	114.5	L1132 Y1162	G1130-L1132 VanDerWaalsContact C-N 3.26Å; G1130-L1132 PolarHBondContact O-N 2.98Å; G1130-Y1162 WeakPolarHBondContact O-CE1 3.44Å; G1130-Y1162 PolarHBondContact O-OH 3.18Å
1131	E	77.5	Confident	80.5	Confident	106 Å²	106	57.7 Å²	57.7	50%	0.495	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-55.6	-25.9	-167.8	-60.5	-57.4	112.2	0	0	116.5	L1133 K1134	E1131-L1133 PolarHBondContact O-N 3.42Å; E1131-K1134 WeakPolarHBondContact O-CB 3.47Å; E1131-K1134 PolarHBondContact O-N 3.12Å; E1131-K1134 WeakPolarHBondContact OE1-CE 3.29Å; E1131-K1134 IonicContact OE1-NZ 3.08Å; E1131-K1134 PolarHBondContact OE1-NZ 2.95Å; E1131-K1134 IonicContact OE2-NZ 3.38Å
1132	L	77.9	Confident	80.6	Confident	63 Å²	63	56.8 Å²	56.8	33%	0.33	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58.8	-23	-167.8	-84.8	160.9	0	0	0	115.4	Y1080 G1130	Y1080-L1132 HydrophobicContact CD1-CD1 3.98Å; Y1080-L1132 HydrophobicContact CE1-CD1 3.54Å; G1130-L1132 VanDerWaalsContact C-N 3.26Å; G1130-L1132 PolarHBondContact O-N 2.98Å
1133	L	83.9	Confident	80.8	Confident	17 Å²	17	56.4 Å²	56.4	9%	0.089	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-102.6	-2	176.8	-66.3	177.3	0	0	0	113.9	P1079 F1119 R1121 E1131 D1135 L1159 Y1162	P1079-L1133 HydrophobicContact CB-CD2 4.37Å; P1079-L1133 HydrophobicContact CG-CD2 4.15Å; F1119-L1133 HydrophobicContact CD1-CD1 4.2Å; F1119-L1133 HydrophobicContact CD1-CD2 4.01Å; F1119-L1133 HydrophobicContact CE1-CD2 4.33Å; R1121-L1133 HydrophobicContact CB-CD1 4.29Å; R1121-L1133 HydrophobicContact CG-CD1 3.75Å; E1131-L1133 PolarHBondContact O-N 3.42Å; L1133-D1135 VanDerWaalsContact C-N 3.33Å; L1133-L1159 HydrophobicContact CD1-CD2 3.69Å; L1133-Y1162 HydrophobicContact CB-CD1 3.72Å; L1133-Y1162 HydrophobicContact CB-CD2 4.04Å; L1133-Y1162 HydrophobicContact CB-CE1 3.68Å; L1133-Y1162 HydrophobicContact CB-CE2 4Å; L1133-Y1162 HydrophobicContact CB-CG 3.88Å; L1133-Y1162 HydrophobicContact CD1-CD2 4.22Å; L1133-Y1162 HydrophobicContact CD1-CE2 3.82Å
1134	K	86.1	Confident	81.3	Confident	82 Å²	82	54.9 Å²	54.9	36%	0.357	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.3	169.4	-59.7	179.7	-173.1	171.2	0	111.9	L1129 E1131 W1136 Y1162 P1164	L1129-K1134 VanDerWaalsContact O-CE 3.29Å; L1129-K1134 WeakPolarHBondContact O-CE 3.47Å; L1129-K1134 PolarHBondContact O-NZ 2.66Å; E1131-K1134 WeakPolarHBondContact O-CB 3.47Å; E1131-K1134 PolarHBondContact O-N 3.12Å; E1131-K1134 WeakPolarHBondContact OE1-CE 3.29Å; E1131-K1134 IonicContact OE1-NZ 3.08Å; E1131-K1134 PolarHBondContact OE1-NZ 2.95Å; E1131-K1134 IonicContact OE2-NZ 3.38Å; K1134-W1136 PolarHBondContact O-N 2.91Å; K1134-Y1162 HydrophobicContact CG-CD1 3.73Å; K1134-Y1162 HydrophobicContact CG-CE1 3.97Å; K1134-P1164 WeakPolarHBondContact O-CG 3.33Å
1135	D	86.6	Confident	82.4	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.214	25%	0.253	C	S	.	.			trans	-77.5	101.4	175.7	179.1	-2.3	0	0	0	111.1	L1133 R1137 R1138 L1139	L1133-D1135 VanDerWaalsContact C-N 3.33Å; D1135-R1137 VanDerWaalsContact C-N 3.26Å; D1135-R1137 PolarHBondContact O-N 3.35Å; D1135-R1137 WeakPolarHBondContact OD1-CA 3.46Å; D1135-R1137 VanDerWaalsContact OD1-CB 3.24Å; D1135-R1137 WeakPolarHBondContact OD1-CB 3.37Å; D1135-R1137 PolarHBondContact OD1-N 3.09Å; D1135-R1138 HydrophobicContact CB-CB 4.42Å; D1135-R1138 HydrophobicContact CB-CG 4.24Å; D1135-R1138 WeakPolarHBondContact O-CB 3.37Å; D1135-R1138 PolarHBondContact O-N 3.13Å; D1135-R1138 PolarHBondContact OD1-N 3.01Å; D1135-R1138 WeakPolarHBondContact OD2-CD 3.5Å; D1135-R1138 VanDerWaalsContact OD2-CG 3.27Å; D1135-R1138 WeakPolarHBondContact OD2-CG 3.14Å; D1135-R1138 IonicContact OD2-NE 2.8Å; D1135-R1138 PolarHBondContact OD2-NE 3.34Å; D1135-L1139 PolarHBondContact O-N 3.43Å
1136	W	88.7	Confident	83.8	Confident	78 Å²	78	43.5 Å²	43.5	30%	0.295	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-30.2	177.6	61.6	-99	0	0	0	113.1	Q923 M975 K1134 R1138 L1139 N1140 P1164	Q923-W1136 HydrophobicContact CB-CH2 4.32Å; Q923-W1136 HydrophobicContact CB-CZ3 3.97Å; Q923-W1136 HydrophobicContact CG-CH2 4.45Å; Q923-W1136 HydrophobicContact CG-CZ3 4.46Å; M975-W1136 HydrophobicContact CE-CB 3.7Å; M975-W1136 HydrophobicContact CE-CE3 3.94Å; M975-W1136 HydrophobicContact CE-CG 4.49Å; M975-W1136 WeakPolarHBondContact CE-O 3.43Å; M975-W1136 HydrophobicContact CG-CE3 4.24Å; M975-W1136 HydrophobicContact CG-CZ3 4.42Å; M975-W1136 HydrophobicContact SD-CB 4.34Å; M975-W1136 HydrophobicContact SD-CD2 4.22Å; M975-W1136 HydrophobicContact SD-CE3 3.51Å; M975-W1136 VanDerWaalsContact SD-CE3 3.51Å; M975-W1136 HydrophobicContact SD-CZ3 4.11Å; K1134-W1136 PolarHBondContact O-N 2.91Å; W1136-R1138 VanDerWaalsContact C-N 3.28Å; W1136-R1138 PolarHBondContact O-N 3.49Å; W1136-L1139 PolarHBondContact O-N 2.96Å; W1136-N1140 PolarHBondContact O-N 2.79Å; W1136-P1164 HydrophobicContact CB-CB 3.84Å; W1136-P1164 HydrophobicContact CB-CG 3.91Å
1137	R	90.6	Very high	85.5	Confident	56 Å²	56	37.4 Å²	37.4	21%	0.211	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-35.3	179.7	-58.7	166.6	175.7	152.3	-4.2	110.5	H922 Q924 L925 D940 D1135 V1141	H922-R1137 PolarHBondContact O-NE 3.12Å; Q924-R1137 WeakPolarHBondContact O-CD 3.42Å; L925-R1137 HydrophobicContact CD2-CB 4.32Å; D940-R1137 IonicContact OD2-NH1 2.66Å; D940-R1137 PolarHBondContact OD2-NH1 3.32Å; D1135-R1137 VanDerWaalsContact C-N 3.26Å; D1135-R1137 PolarHBondContact O-N 3.35Å; D1135-R1137 WeakPolarHBondContact OD1-CA 3.46Å; D1135-R1137 VanDerWaalsContact OD1-CB 3.24Å; D1135-R1137 WeakPolarHBondContact OD1-CB 3.37Å; D1135-R1137 PolarHBondContact OD1-N 3.09Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.19Å; R1137-V1141 PolarHBondContact O-N 3.26Å
1138	R	90.4	Very high	87.2	Confident	47 Å²	47	37.8 Å²	37.8	18%	0.177	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-46.3	172.2	-74.8	170.1	-171.8	-79.6	-21.9	112.1	L925 V1104 D1105 D1135 W1136 N1140 V1141 A1142	L925-R1138 HydrophobicContact CD2-CB 4.29Å; L925-R1138 HydrophobicContact CD2-CG 3.54Å; V1104-R1138 HydrophobicContact CG1-CB 4.27Å; V1104-R1138 HydrophobicContact CG1-CG 4.46Å; V1104-R1138 WeakPolarHBondContact CG1-O 3.34Å; D1105-R1138 VanDerWaalsContact CG-NH1 3.31Å; D1105-R1138 IonicContact OD1-CZ 2.68Å; D1105-R1138 IonicContact OD1-NH1 3.22Å; D1105-R1138 PolarHBondContact OD1-NH1 3.38Å; D1105-R1138 IonicContact OD1-NH2 3.11Å; D1105-R1138 PolarHBondContact OD1-NH2 2.84Å; D1105-R1138 IonicContact OD2-NH1 3.97Å; D1105-R1138 PolarHBondContact OD2-NH1 3.31Å; D1135-R1138 HydrophobicContact CB-CB 4.42Å; D1135-R1138 HydrophobicContact CB-CG 4.24Å; D1135-R1138 WeakPolarHBondContact O-CB 3.37Å; D1135-R1138 PolarHBondContact O-N 3.13Å; D1135-R1138 PolarHBondContact OD1-N 3.01Å; D1135-R1138 WeakPolarHBondContact OD2-CD 3.5Å; D1135-R1138 VanDerWaalsContact OD2-CG 3.27Å; D1135-R1138 WeakPolarHBondContact OD2-CG 3.14Å; D1135-R1138 IonicContact OD2-NE 2.8Å; D1135-R1138 PolarHBondContact OD2-NE 3.34Å; W1136-R1138 VanDerWaalsContact C-N 3.28Å; W1136-R1138 PolarHBondContact O-N 3.49Å; R1138-N1140 PolarHBondContact O-N 3.1Å; R1138-V1141 PolarHBondContact O-N 3.29Å; R1138-A1142 WeakPolarHBondContact O-CB 3.34Å; R1138-A1142 PolarHBondContact O-N 3.45Å
1139	L	91.5	Very high	88.8	Confident	10 Å²	10	30.7 Å²	30.7	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-46.2	178.1	-173.4	61.1	0	0	0	111.3	L974 F1119 D1135 W1136 V1141 A1142 V1143 P1164 V1165 L1168	L974-L1139 HydrophobicContact CD1-CD2 4.41Å; F1119-L1139 HydrophobicContact CE1-CD1 3.89Å; F1119-L1139 HydrophobicContact CZ-CD1 3.87Å; D1135-L1139 PolarHBondContact O-N 3.43Å; W1136-L1139 PolarHBondContact O-N 2.96Å; L1139-V1141 PolarHBondContact O-N 3.01Å; L1139-A1142 PolarHBondContact O-N 3.46Å; L1139-V1143 HydrophobicContact CD1-CG2 4.45Å; L1139-V1143 WeakPolarHBondContact O-CG2 3.27Å; L1139-V1143 PolarHBondContact O-N 3.31Å; L1139-P1164 HydrophobicContact CD2-CB 4Å; L1139-P1164 VanDerWaalsContact CD2-O 3.26Å; L1139-P1164 WeakPolarHBondContact CD2-O 3.29Å; L1139-V1165 HydrophobicContact CD2-CG2 4.19Å; L1139-L1168 HydrophobicContact CD1-CD2 3.88Å; L1139-L1168 HydrophobicContact CD2-CB 4.29Å; L1139-L1168 HydrophobicContact CD2-CD2 4.08Å; L1139-L1168 HydrophobicContact CG-CD2 4.28Å
1140	N	92.1	Very high	90.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-45	176.6	-170	25.4	0	0	0	112.3	Q923 S971 M975 Y976 W1136 R1138 A1142 T1144	Q923-N1140 PolarHBondContact O-ND2 3.13Å; S971-N1140 PolarHBondContact OG-OD1 2.91Å; M975-N1140 HydrophobicContact CE-CB 4.03Å; M975-N1140 HydrophobicContact CG-CB 3.84Å; Y976-N1140 WeakPolarHBondContact CE2-ND2 3.49Å; Y976-N1140 PolarHBondContact OH-ND2 2.9Å; W1136-N1140 PolarHBondContact O-N 2.79Å; R1138-N1140 PolarHBondContact O-N 3.1Å; N1140-A1142 PolarHBondContact O-N 2.91Å; N1140-T1144 WeakPolarHBondContact O-CB 3.26Å; N1140-T1144 WeakPolarHBondContact O-CG2 3.43Å; N1140-T1144 PolarHBondContact O-N 3.42Å; N1140-T1144 VanDerWaalsContact O-N 3.09Å; N1140-T1144 PolarHBondContact O-OG1 3.47Å
1141	V	92.4	Very high	91.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-44	176	169.9	0	0	0	0	111.1	Q924 L925 V1104 R1137 R1138 L1139 T1144 R1145	Q924-V1141 HydrophobicContact CB-CG2 3.66Å; Q924-V1141 HydrophobicContact CG-CG2 3.68Å; L925-V1141 HydrophobicContact CD2-CG2 4.27Å; L925-V1141 HydrophobicContact CG-CG2 4.15Å; V1104-V1141 HydrophobicContact CG1-CB 3.83Å; V1104-V1141 HydrophobicContact CG1-CG1 3.66Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.19Å; R1137-V1141 PolarHBondContact O-N 3.26Å; R1138-V1141 PolarHBondContact O-N 3.29Å; L1139-V1141 PolarHBondContact O-N 3.01Å; V1141-T1144 PolarHBondContact O-N 3.33Å; V1141-T1144 PolarHBondContact O-OG1 3.11Å; V1141-R1145 WeakPolarHBondContact O-CD 3.47Å; V1141-R1145 VanDerWaalsContact O-CG 3.31Å; V1141-R1145 WeakPolarHBondContact O-CG 3.42Å; V1141-R1145 PolarHBondContact O-NE 3.31Å
1142	A	92.8	Very high	92.2	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-51.9	179.8	0	0	0	0	0	112.7	I1077 V1104 L1117 R1138 L1139 N1140 T1144 R1145	I1077-A1142 HydrophobicContact CG2-CB 4.33Å; V1104-A1142 HydrophobicContact CG1-CB 4.43Å; V1104-A1142 HydrophobicContact CG2-CB 4.2Å; L1117-A1142 HydrophobicContact CD1-CB 4.13Å; L1117-A1142 HydrophobicContact CD2-CB 4.05Å; R1138-A1142 WeakPolarHBondContact O-CB 3.34Å; R1138-A1142 PolarHBondContact O-N 3.45Å; L1139-A1142 PolarHBondContact O-N 3.46Å; N1140-A1142 PolarHBondContact O-N 2.91Å; A1142-T1144 VanDerWaalsContact C-N 3.32Å; A1142-T1144 PolarHBondContact O-N 3.01Å; A1142-R1145 PolarHBondContact O-N 2.77Å
1143	V	93.3	Very high	93.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.8	-43.9	178.5	169.1	0	0	0	0	111.3	L970 L1139 R1145 L1150	L970-V1143 HydrophobicContact CB-CG1 3.85Å; L970-V1143 HydrophobicContact CD1-CG1 3.77Å; L970-V1143 HydrophobicContact CG-CG1 4.45Å; L1139-V1143 HydrophobicContact CD1-CG2 4.45Å; L1139-V1143 WeakPolarHBondContact O-CG2 3.27Å; L1139-V1143 PolarHBondContact O-N 3.31Å; V1143-R1145 PolarHBondContact O-N 2.98Å; V1143-R1145 VanDerWaalsContact O-N 3.11Å; V1143-L1150 HydrophobicContact CB-CD2 4.3Å; V1143-L1150 HydrophobicContact CG1-CD2 3.9Å; V1143-L1150 HydrophobicContact CG2-CD2 4.3Å
1144	T	94.3	Very high	93.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	9.5	-174.1	57.9	0	0	0	0	115.3	P785 R962 M963 S971 N1140 V1141 A1142	P785-T1144 HydrophobicContact CB-CG2 3.85Å; P785-T1144 HydrophobicContact CG-CG2 3.85Å; R962-T1144 VanDerWaalsContact CD-O 3.26Å; R962-T1144 WeakPolarHBondContact CD-O 3.42Å; R962-T1144 PolarHBondContact NH1-O 3.49Å; M963-T1144 HydrophobicContact SD-CG2 3.84Å; S971-T1144 WeakPolarHBondContact OG-CG2 3.42Å; N1140-T1144 WeakPolarHBondContact O-CB 3.26Å; N1140-T1144 WeakPolarHBondContact O-CG2 3.43Å; N1140-T1144 PolarHBondContact O-N 3.42Å; N1140-T1144 VanDerWaalsContact O-N 3.09Å; N1140-T1144 PolarHBondContact O-OG1 3.47Å; V1141-T1144 PolarHBondContact O-N 3.33Å; V1141-T1144 PolarHBondContact O-OG1 3.11Å; A1142-T1144 VanDerWaalsContact C-N 3.32Å; A1142-T1144 PolarHBondContact O-N 3.01Å
1145	R	94.8	Very high	94	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.011	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.2	172.9	-62.9	-43.9	86.7	177.3	14.9	113.2	R962 I1077 Y1107 R1110 D1111 K1112 I1115 V1141 A1142 V1143	R962-R1145 VanDerWaalsContact NH1-CZ 3.34Å; I1077-R1145 HydrophobicContact CD1-CB 4.03Å; I1077-R1145 HydrophobicContact CD1-CG 3.67Å; Y1107-R1145 HydrophobicContact CD1-CG 4.13Å; Y1107-R1145 HydrophobicContact CG-CG 4.38Å; Y1107-R1145 VanDerWaalsContact O-CD 3.31Å; Y1107-R1145 WeakPolarHBondContact O-CD 3.35Å; R1110-R1145 WeakPolarHBondContact O-CD 3.43Å; R1110-R1145 PolarHBondContact O-NH1 3.28Å; D1111-R1145 VanDerWaalsContact CA-O 3.27Å; D1111-R1145 WeakPolarHBondContact CA-O 3.46Å; D1111-R1145 WeakPolarHBondContact CB-O 3.25Å; K1112-R1145 PolarHBondContact N-O 3.24Å; I1115-R1145 HydrophobicContact CD1-CB 3.73Å; I1115-R1145 HydrophobicContact CG1-CB 3.71Å; V1141-R1145 WeakPolarHBondContact O-CD 3.47Å; V1141-R1145 VanDerWaalsContact O-CG 3.31Å; V1141-R1145 WeakPolarHBondContact O-CG 3.42Å; V1141-R1145 PolarHBondContact O-NE 3.31Å; A1142-R1145 PolarHBondContact O-N 2.77Å; V1143-R1145 PolarHBondContact O-N 2.98Å; V1143-R1145 VanDerWaalsContact O-N 3.11Å
1146	A	96.6	Very high	94.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	152.6	-177.5	0	0	0	0	0	112.5	M963 I967 K1112 I1115 L1150	M963-A1146 WeakPolarHBondContact CG-O 3.49Å; I967-A1146 HydrophobicContact CD1-CB 3.96Å; I967-A1146 HydrophobicContact CG2-CB 4.24Å; K1112-A1146 CarbonylContact O-C 3.51Å; I1115-A1146 HydrophobicContact CB-CB 4.08Å; I1115-A1146 HydrophobicContact CG1-CB 4.03Å; A1146-L1150 HydrophobicContact CB-CB 3.94Å; A1146-L1150 HydrophobicContact CB-CD1 4.48Å
1147	K	96.4	Very high	94.4	Very high	53 Å²	53	14.2 Å²	14.2	23%	0.23	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-53.8	167.8	-65.4	167.4	178.1	151.9	0	112.1	R962 N964 D1111 K1112	R962-K1147 HydrophobicContact CG-CG 3.86Å; R962-K1147 VanDerWaalsContact O-CA 3.28Å; R962-K1147 WeakPolarHBondContact O-CA 3.34Å; R962-K1147 WeakPolarHBondContact O-CB 3.33Å; R962-K1147 WeakPolarHBondContact O-CG 3.34Å; N964-K1147 PolarHBondContact N-O 3Å; N964-K1147 VanDerWaalsContact N-O 3.13Å; D1111-K1147 VanDerWaalsContact CG-CE 3.41Å; D1111-K1147 WeakPolarHBondContact OD1-CE 3.34Å; D1111-K1147 IonicContact OD1-NZ 2.63Å; D1111-K1147 PolarHBondContact OD1-NZ 2.86Å; K1112-K1147 WeakPolarHBondContact O-CG 3.19Å; K1112-K1147 PolarHBondContact O-N 3.44Å
1148	H	96.9	Very high	94.4	Very high	47 Å²	47	11.8 Å²	11.8	22%	0.218	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-36.9	-165.2	-45.2	134.8	0	0	0	113.3	N964 L992 S1113	N964-H1148 PolarHBondContact ND2-O 3.07Å; L992-H1148 HydrophobicContact CB-CB 4.15Å; L992-H1148 HydrophobicContact CD1-CB 4.41Å; S1113-H1148 WeakPolarHBondContact CB-ND1 3.22Å; S1113-H1148 PolarHBondContact O-N 2.77Å; S1113-H1148 VanDerWaalsContact O-N 3.08Å; S1113-H1148 PolarHBondContact OG-ND1 2.96Å
1149	K	97.5	Very high	94.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.9	172.4	-175.5	177.7	-86.9	-83.3	0	111.6	L992 A1022 L1024 N1027 P1028 S1113 L1114 I1115 L1151	L992-K1149 HydrophobicContact CB-CB 4.24Å; L992-K1149 HydrophobicContact CD2-CB 4.12Å; L992-K1149 HydrophobicContact CD2-CD 4.14Å; A1022-K1149 PolarHBondContact O-NZ 3.23Å; L1024-K1149 WeakPolarHBondContact O-CE 3.36Å; L1024-K1149 PolarHBondContact O-NZ 3.25Å; N1027-K1149 PolarHBondContact O-NZ 3.29Å; P1028-K1149 CarbonylContact O-C 3.52Å; P1028-K1149 VanDerWaalsContact O-CA 3.26Å; P1028-K1149 WeakPolarHBondContact O-CA 3.27Å; S1113-K1149 PolarHBondContact O-N 3.38Å; L1114-K1149 WeakPolarHBondContact CA-O 3.39Å; L1114-K1149 HydrophobicContact CD1-CB 3.87Å; L1114-K1149 HydrophobicContact CD1-CD 4.03Å; L1114-K1149 HydrophobicContact CD1-CG 3.84Å; I1115-K1149 PolarHBondContact N-O 3.08Å; K1149-L1151 HydrophobicContact CD-CD1 4.47Å; K1149-L1151 HydrophobicContact CD-CD2 4.05Å; K1149-L1151 HydrophobicContact CD-CG 4.16Å; K1149-L1151 HydrophobicContact CG-CD2 4.28Å; K1149-L1151 HydrophobicContact CG-CG 4.23Å
1150	L	97.6	Very high	94.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.9	172	174.7	62	0	0	0	108.6	I967 L970 P1028 C1030 I1115 V1143 A1146 M1152	I967-L1150 HydrophobicContact CD1-CB 4.39Å; I967-L1150 HydrophobicContact CG1-CB 4.31Å; L970-L1150 HydrophobicContact CD1-CD2 3.77Å; P1028-L1150 PolarHBondContact O-N 3.19Å; C1030-L1150 PolarHBondContact N-O 2.91Å; C1030-L1150 VanDerWaalsContact N-O 3.1Å; I1115-L1150 HydrophobicContact CB-CD1 4.05Å; I1115-L1150 HydrophobicContact CG2-CD1 3.79Å; V1143-L1150 HydrophobicContact CB-CD2 4.3Å; V1143-L1150 HydrophobicContact CG1-CD2 3.9Å; V1143-L1150 HydrophobicContact CG2-CD2 4.3Å; A1146-L1150 HydrophobicContact CB-CB 3.94Å; A1146-L1150 HydrophobicContact CB-CD1 4.48Å; L1150-M1152 HydrophobicContact CD1-CG 4.4Å; L1150-M1152 HydrophobicContact CD2-CE 4.16Å; L1150-M1152 HydrophobicContact CD2-SD 4.22Å; L1150-M1152 HydrophobicContact CG-CE 4.35Å; L1150-M1152 HydrophobicContact CG-CG 4.25Å; L1150-M1152 HydrophobicContact CG-SD 4.49Å
1151	L	97.6	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.6	171.5	-63.5	175.2	0	0	0	109	C1030 M1060 L1064 L1114 I1115 V1116 L1117 K1149	C1030-L1151 HydrophobicContact CB-CD2 3.83Å; M1060-L1151 HydrophobicContact CE-CD1 3.59Å; M1060-L1151 HydrophobicContact CE-CD2 4.07Å; M1060-L1151 HydrophobicContact CE-CG 4.38Å; M1060-L1151 HydrophobicContact SD-CD1 4.38Å; L1064-L1151 HydrophobicContact CD1-CD1 3.77Å; L1114-L1151 HydrophobicContact CD1-CD1 4.01Å; L1114-L1151 HydrophobicContact CD1-CG 4.09Å; I1115-L1151 PolarHBondContact O-N 2.88Å; V1116-L1151 CarbonylContact C-O 3.15Å; V1116-L1151 WeakPolarHBondContact CA-O 3.32Å; V1116-L1151 HydrophobicContact CG1-CB 4.31Å; V1116-L1151 HydrophobicContact CG2-CB 4.33Å; V1116-L1151 HydrophobicContact CG2-CD1 4.29Å; L1117-L1151 PolarHBondContact N-O 2.99Å; K1149-L1151 HydrophobicContact CD-CD1 4.47Å; K1149-L1151 HydrophobicContact CD-CD2 4.05Å; K1149-L1151 HydrophobicContact CD-CG 4.16Å; K1149-L1151 HydrophobicContact CG-CD2 4.28Å; K1149-L1151 HydrophobicContact CG-CG 4.23Å
1152	M	97.6	Very high	94.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	176.9	-71.8	171.9	-72	0	0	108.9	V1029 C1030 F1031 L1032 L1117 F1119 L1150 L1168 L1172	V1029-M1152 HydrophobicContact CG1-CE 3.67Å; C1030-M1152 PolarHBondContact O-N 2.66Å; F1031-M1152 HydrophobicContact CB-CB 4.33Å; F1031-M1152 HydrophobicContact CB-CE 4.33Å; F1031-M1152 HydrophobicContact CD2-CB 3.62Å; F1031-M1152 HydrophobicContact CD2-SD 4.37Å; F1031-M1152 HydrophobicContact CE2-CB 4.3Å; F1031-M1152 HydrophobicContact CG-CB 4.3Å; L1032-M1152 PolarHBondContact N-O 2.83Å; L1117-M1152 HydrophobicContact CB-CG 4.13Å; L1117-M1152 HydrophobicContact CD2-CG 4.23Å; L1117-M1152 WeakPolarHBondContact O-CA 3.31Å; F1119-M1152 HydrophobicContact CE2-CB 4.07Å; F1119-M1152 HydrophobicContact CE2-CG 4.14Å; F1119-M1152 HydrophobicContact CE2-SD 4.38Å; L1150-M1152 HydrophobicContact CD1-CG 4.4Å; L1150-M1152 HydrophobicContact CD2-CE 4.16Å; L1150-M1152 HydrophobicContact CD2-SD 4.22Å; L1150-M1152 HydrophobicContact CG-CE 4.35Å; L1150-M1152 HydrophobicContact CG-CG 4.25Å; L1150-M1152 HydrophobicContact CG-SD 4.49Å; M1152-L1168 HydrophobicContact SD-CD2 4.1Å; M1152-L1172 HydrophobicContact CE-CD1 3.93Å; M1152-L1172 HydrophobicContact CE-CD2 3.89Å
1153	V	96.5	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.4	-177.6	-166.2	0	0	0	0	108.9	L1032 E1053 I1057 V1116 L1117 F1119	L1032-V1153 HydrophobicContact CD1-CG2 4.47Å; E1053-V1153 HydrophobicContact CB-CG1 4.48Å; E1053-V1153 HydrophobicContact CG-CG1 3.99Å; I1057-V1153 HydrophobicContact CD1-CG2 4.44Å; I1057-V1153 HydrophobicContact CG1-CG2 4.04Å; V1116-V1153 HydrophobicContact CG1-CG2 4.47Å; L1117-V1153 PolarHBondContact O-N 2.68Å; F1119-V1153 PolarHBondContact N-O 2.98Å
1154	G	95.1	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	170.9	177.3	0	0	0	0	0	114	L1032 C1034 A1156	L1032-G1154 PolarHBondContact O-N 3.15Å; C1034-G1154 PolarHBondContact N-O 3.25Å; G1154-A1156 PolarHBondContact O-N 3.32Å
1155	S	93.9	Very high	94	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.049	13%	0.134	C	C	.	.			trans	-80.1	105.3	174.9	172.7	0	0	0	0	110.6	S1122 A1157 T1158 L1159	S1122-S1155 WeakPolarHBondContact OG-CB 3.01Å; S1155-A1157 VanDerWaalsContact C-N 3.27Å; S1155-A1157 PolarHBondContact O-N 2.99Å; S1155-T1158 PolarHBondContact O-N 3.09Å; S1155-T1158 PolarHBondContact OG-N 3.35Å; S1155-T1158 PolarHBondContact OG-OG1 3.28Å; S1155-L1159 VanDerWaalsContact O-CB 3.27Å; S1155-L1159 WeakPolarHBondContact O-CB 3.26Å; S1155-L1159 WeakPolarHBondContact O-CD1 3.49Å; S1155-L1159 WeakPolarHBondContact O-CG 3.3Å; S1155-L1159 PolarHBondContact O-N 2.92Å
1156	A	93.3	Very high	94	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-43.5	174.9	0	0	0	0	0	111.5	F1031 D1033 S1035 G1154 T1158 L1159 R1160 L1169	F1031-A1156 HydrophobicContact CE1-CB 4.09Å; D1033-A1156 HydrophobicContact CB-CB 4.29Å; D1033-A1156 VanDerWaalsContact CG-CB 3.46Å; D1033-A1156 WeakPolarHBondContact OD1-CB 3.12Å; D1033-A1156 PolarHBondContact OD1-N 3.35Å; S1035-A1156 PolarHBondContact OG-N 3.01Å; S1035-A1156 VanDerWaalsContact OG-N 3.12Å; G1154-A1156 PolarHBondContact O-N 3.32Å; A1156-T1158 VanDerWaalsContact C-N 3.32Å; A1156-T1158 PolarHBondContact O-N 3.12Å; A1156-L1159 PolarHBondContact O-N 3.39Å; A1156-R1160 VanDerWaalsContact O-CG 3.3Å; A1156-R1160 WeakPolarHBondContact O-CG 3.21Å; A1156-R1160 PolarHBondContact O-N 3.46Å; A1156-L1169 HydrophobicContact CB-CD1 4.37Å; A1156-L1169 HydrophobicContact CB-CD2 4.36Å
1157	A	91.2	Very high	93.8	Very high	68 Å²	68	32.1 Å²	32.1	56%	0.562	16%	0.162	S	C	*	.	H	α-helix	trans	-56	-42.5	179.3	0	0	0	0	0	112.9	S1035 S1155	S1035-A1157 PolarHBondContact OG-N 2.83Å; S1155-A1157 VanDerWaalsContact C-N 3.27Å; S1155-A1157 PolarHBondContact O-N 2.99Å
1158	T	91.1	Very high	93.7	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-74.1	-36	173.9	-51.9	0	0	0	0	111.7	R1121 T1123 L1129 S1155 A1156 R1161	R1121-T1158 HydrophobicContact CB-CG2 4.41Å; T1123-T1158 HydrophobicContact CG2-CG2 4.01Å; T1123-T1158 PolarHBondContact N-OG1 2.93Å; T1123-T1158 PolarHBondContact O-OG1 3.27Å; L1129-T1158 HydrophobicContact CD2-CG2 4.28Å; S1155-T1158 PolarHBondContact O-N 3.09Å; S1155-T1158 PolarHBondContact OG-N 3.35Å; S1155-T1158 PolarHBondContact OG-OG1 3.28Å; A1156-T1158 VanDerWaalsContact C-N 3.32Å; A1156-T1158 PolarHBondContact O-N 3.12Å; T1158-R1161 WeakPolarHBondContact O-CB 3.27Å
1159	L	91.9	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-78.9	-25.8	-171.4	-71.2	167.3	0	0	0	115	F1031 F1119 R1121 L1133 S1155 A1156 R1161 Y1162 V1165 L1169	F1031-L1159 HydrophobicContact CE2-CD1 4.39Å; F1031-L1159 HydrophobicContact CZ-CD1 4Å; F1119-L1159 HydrophobicContact CB-CD1 3.59Å; F1119-L1159 HydrophobicContact CB-CD2 3.98Å; F1119-L1159 HydrophobicContact CB-CG 4.41Å; F1119-L1159 HydrophobicContact CD1-CD1 4.11Å; F1119-L1159 HydrophobicContact CD1-CD2 3.9Å; F1119-L1159 HydrophobicContact CD2-CD1 4.13Å; F1119-L1159 HydrophobicContact CG-CD1 3.69Å; F1119-L1159 HydrophobicContact CG-CD2 4.18Å; R1121-L1159 HydrophobicContact CB-CD2 4.37Å; L1133-L1159 HydrophobicContact CD1-CD2 3.69Å; S1155-L1159 VanDerWaalsContact O-CB 3.27Å; S1155-L1159 WeakPolarHBondContact O-CB 3.26Å; S1155-L1159 WeakPolarHBondContact O-CD1 3.49Å; S1155-L1159 WeakPolarHBondContact O-CG 3.3Å; S1155-L1159 PolarHBondContact O-N 2.92Å; A1156-L1159 PolarHBondContact O-N 3.39Å; L1159-R1161 PolarHBondContact O-N 2.91Å; L1159-R1161 VanDerWaalsContact O-N 3.09Å; L1159-Y1162 HydrophobicContact CD2-CD2 4.13Å; L1159-Y1162 HydrophobicContact CD2-CE2 4.32Å; L1159-Y1162 PolarHBondContact O-N 2.91Å; L1159-V1165 HydrophobicContact CB-CG1 3.94Å; L1159-V1165 HydrophobicContact CD2-CG1 4.45Å; L1159-L1169 HydrophobicContact CB-CD1 4.18Å
1160	R	92.6	Very high	93.4	Very high	127 Å²	127	32 Å²	32	48%	0.479	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.9	172.6	-66.2	-151.5	171.3	138.9	2.4	113.6	A1156 Y1162 E1166 L1169	A1156-R1160 VanDerWaalsContact O-CG 3.3Å; A1156-R1160 WeakPolarHBondContact O-CG 3.21Å; A1156-R1160 PolarHBondContact O-N 3.46Å; R1160-Y1162 PolarHBondContact O-N 2.9Å; R1160-E1166 VanDerWaalsContact CB-OE2 3.26Å; R1160-E1166 WeakPolarHBondContact CB-OE2 3.26Å; R1160-E1166 WeakPolarHBondContact CD-OE2 3.48Å; R1160-E1166 WeakPolarHBondContact CG-OE2 3.43Å; R1160-E1166 IonicContact NE-OE2 3.61Å; R1160-L1169 HydrophobicContact CG-CD1 3.88Å
1161	R	90.5	Very high	93.2	Very high	106 Å²	106	33 Å²	33	40%	0.4	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.2	176.1	-60.9	171.2	64.7	-165.4	-5	113.5	E1125 E1126 G1127 L1129 T1158 L1159	E1125-R1161 PolarHBondContact O-NH1 3.24Å; E1126-R1161 VanDerWaalsContact C-NH2 3.34Å; E1126-R1161 PolarHBondContact O-NH2 3.11Å; G1127-R1161 PolarHBondContact O-NH2 3.43Å; G1127-R1161 VanDerWaalsContact O-NH2 3.16Å; L1129-R1161 HydrophobicContact CD1-CB 3.26Å; L1129-R1161 HydrophobicContact CD1-CG 4.16Å; T1158-R1161 WeakPolarHBondContact O-CB 3.27Å; L1159-R1161 PolarHBondContact O-N 2.91Å; L1159-R1161 VanDerWaalsContact O-N 3.09Å
1162	Y	90.4	Very high	93.1	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.167	C	C	.	.	S	Bend	trans	-105.2	112.7	173.1	-68.5	-77.6	0	0	0	110.8	R1121 L1129 G1130 L1133 K1134 L1159 R1160 P1164 V1165 E1166	R1121-Y1162 HydrophobicContact CB-CE2 4.45Å; R1121-Y1162 HydrophobicContact CG-CE2 4.33Å; L1129-Y1162 HydrophobicContact CB-CE1 3.93Å; L1129-Y1162 HydrophobicContact CB-CE2 4.4Å; L1129-Y1162 HydrophobicContact CD1-CD2 4.41Å; L1129-Y1162 HydrophobicContact CD1-CE2 4.07Å; L1129-Y1162 HydrophobicContact CD2-CE2 4.28Å; G1130-Y1162 WeakPolarHBondContact O-CE1 3.44Å; G1130-Y1162 PolarHBondContact O-OH 3.18Å; L1133-Y1162 HydrophobicContact CB-CD1 3.72Å; L1133-Y1162 HydrophobicContact CB-CD2 4.04Å; L1133-Y1162 HydrophobicContact CB-CE1 3.68Å; L1133-Y1162 HydrophobicContact CB-CE2 4Å; L1133-Y1162 HydrophobicContact CB-CG 3.88Å; L1133-Y1162 HydrophobicContact CD1-CD2 4.22Å; L1133-Y1162 HydrophobicContact CD1-CE2 3.82Å; K1134-Y1162 HydrophobicContact CG-CD1 3.73Å; K1134-Y1162 HydrophobicContact CG-CE1 3.97Å; L1159-Y1162 HydrophobicContact CD2-CD2 4.13Å; L1159-Y1162 HydrophobicContact CD2-CE2 4.32Å; L1159-Y1162 PolarHBondContact O-N 2.91Å; R1160-Y1162 PolarHBondContact O-N 2.9Å; Y1162-P1164 VanDerWaalsContact C-CD 3.45Å; Y1162-P1164 VanDerWaalsContact O-N 3.17Å; Y1162-V1165 PolarHBondContact O-N 3.15Å; Y1162-E1166 PolarHBondContact O-N 3.24Å
1163	P	90.7	Very high	92.9	Very high	100 Å²	100	37.7 Å²	37.7	65%	0.649	19%	0.191	S	C	*	.	H	α-helix	trans	-52.7	-39.1	-174.6	-27.9	34.3	0	0	0	116.6	V1165 K1167	P1163-V1165 VanDerWaalsContact C-N 3.33Å; P1163-V1165 PolarHBondContact O-N 2.58Å; P1163-K1167 PolarHBondContact O-N 2.68Å
1164	P	90.4	Very high	92.7	Very high	18 Å²	18	44.3 Å²	44.3	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-32.5	176	-18.6	32	0	0	0	113.3	K1134 W1136 L1139 Y1162 L1168	K1134-P1164 WeakPolarHBondContact O-CG 3.33Å; W1136-P1164 HydrophobicContact CB-CB 3.84Å; W1136-P1164 HydrophobicContact CB-CG 3.91Å; L1139-P1164 HydrophobicContact CD2-CB 4Å; L1139-P1164 VanDerWaalsContact CD2-O 3.26Å; L1139-P1164 WeakPolarHBondContact CD2-O 3.29Å; Y1162-P1164 VanDerWaalsContact C-CD 3.45Å; Y1162-P1164 VanDerWaalsContact O-N 3.17Å; P1164-L1168 PolarHBondContact O-N 2.91Å
1165	V	92.3	Very high	92.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-82.8	-32	-178.8	-166.8	0	0	0	0	110.5	F1119 L1139 L1159 Y1162 P1163 L1168 L1169	F1119-V1165 HydrophobicContact CE1-CG1 4.01Å; F1119-V1165 HydrophobicContact CE1-CG2 4.23Å; F1119-V1165 HydrophobicContact CZ-CG1 4.32Å; L1139-V1165 HydrophobicContact CD2-CG2 4.19Å; L1159-V1165 HydrophobicContact CB-CG1 3.94Å; L1159-V1165 HydrophobicContact CD2-CG1 4.45Å; Y1162-V1165 PolarHBondContact O-N 3.15Å; P1163-V1165 VanDerWaalsContact C-N 3.33Å; P1163-V1165 PolarHBondContact O-N 2.58Å; V1165-L1168 WeakPolarHBondContact O-CB 3.41Å; V1165-L1168 PolarHBondContact O-N 3.46Å; V1165-L1169 HydrophobicContact CG1-CD1 4.24Å; V1165-L1169 HydrophobicContact CG1-CG 4.41Å; V1165-L1169 WeakPolarHBondContact O-CB 3.43Å; V1165-L1169 VanDerWaalsContact O-CG 3.31Å; V1165-L1169 WeakPolarHBondContact O-CG 3.01Å; V1165-L1169 PolarHBondContact O-N 2.74Å
1166	E	94	Very high	92.4	Very high	44 Å²	44	55.9 Å²	55.9	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-46.8	170.5	177.4	55.3	-167.7	0	0	111.7	R1160 Y1162 L1168 L1169 Q1170	R1160-E1166 VanDerWaalsContact CB-OE2 3.26Å; R1160-E1166 WeakPolarHBondContact CB-OE2 3.26Å; R1160-E1166 WeakPolarHBondContact CD-OE2 3.48Å; R1160-E1166 WeakPolarHBondContact CG-OE2 3.43Å; R1160-E1166 IonicContact NE-OE2 3.61Å; Y1162-E1166 PolarHBondContact O-N 3.24Å; E1166-L1168 PolarHBondContact O-N 2.83Å; E1166-L1169 PolarHBondContact O-N 3.2Å; E1166-Q1170 HydrophobicContact CG-CG 4.45Å; E1166-Q1170 WeakPolarHBondContact O-CG 3.26Å; E1166-Q1170 PolarHBondContact O-N 3.13Å; E1166-Q1170 WeakPolarHBondContact OE1-CG 3.32Å; E1166-Q1170 PolarHBondContact OE1-NE2 3.29Å
1167	K	92.7	Very high	92.5	Very high	92 Å²	92	56.2 Å²	56.2	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-36.5	174.2	-168.9	-178.7	175.2	-172.2	0	112	S973 L974 P1163 H1171	S973-K1167 WeakPolarHBondContact O-CE 3.32Å; S973-K1167 PolarHBondContact O-NZ 3.24Å; L974-K1167 HydrophobicContact CD2-CB 3.96Å; L974-K1167 HydrophobicContact CD2-CD 4.05Å; L974-K1167 HydrophobicContact CD2-CG 3.93Å; L974-K1167 PolarHBondContact O-NZ 2.7Å; P1163-K1167 PolarHBondContact O-N 2.68Å; K1167-H1171 PolarHBondContact O-N 3.08Å
1168	L	93.8	Very high	92.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-47	173.3	174.3	58.9	0	0	0	111.8	L970 L974 F1119 L1139 M1152 P1164 V1165 E1166 Q1170 H1171 L1172	L970-L1168 HydrophobicContact CB-CD1 4.49Å; L970-L1168 HydrophobicContact CD2-CD1 4.14Å; L974-L1168 HydrophobicContact CD1-CB 4.32Å; L974-L1168 HydrophobicContact CD1-CD1 4.23Å; L974-L1168 HydrophobicContact CD2-CB 4.1Å; F1119-L1168 HydrophobicContact CZ-CD2 4.39Å; L1139-L1168 HydrophobicContact CD1-CD2 3.88Å; L1139-L1168 HydrophobicContact CD2-CB 4.29Å; L1139-L1168 HydrophobicContact CD2-CD2 4.08Å; L1139-L1168 HydrophobicContact CG-CD2 4.28Å; M1152-L1168 HydrophobicContact SD-CD2 4.1Å; P1164-L1168 PolarHBondContact O-N 2.91Å; V1165-L1168 WeakPolarHBondContact O-CB 3.41Å; V1165-L1168 PolarHBondContact O-N 3.46Å; E1166-L1168 PolarHBondContact O-N 2.83Å; L1168-Q1170 VanDerWaalsContact C-N 3.34Å; L1168-Q1170 PolarHBondContact O-N 3.01Å; L1168-H1171 PolarHBondContact O-N 2.89Å; L1168-L1172 HydrophobicContact CD1-CD1 3.78Å; L1168-L1172 HydrophobicContact CD1-CD2 4.43Å; L1168-L1172 HydrophobicContact CD1-CG 3.9Å; L1168-L1172 HydrophobicContact CD2-CD1 4.46Å; L1168-L1172 HydrophobicContact CG-CD1 3.7Å; L1168-L1172 HydrophobicContact CG-CG 4.29Å; L1168-L1172 WeakPolarHBondContact O-CB 3.42Å; L1168-L1172 WeakPolarHBondContact O-CG 3.4Å; L1168-L1172 PolarHBondContact O-N 3.49Å
1169	L	94.6	Very high	92.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-36.1	-179.6	-73.3	168.9	0	0	0	112.4	F1031 A1156 L1159 R1160 V1165 E1166 L1172 L1173 I1178	F1031-L1169 HydrophobicContact CD1-CD2 4.14Å; F1031-L1169 HydrophobicContact CD2-CD2 4.07Å; F1031-L1169 HydrophobicContact CE1-CD2 3.94Å; F1031-L1169 HydrophobicContact CE2-CD2 3.87Å; F1031-L1169 HydrophobicContact CG-CD2 4.22Å; F1031-L1169 HydrophobicContact CZ-CD2 3.81Å; A1156-L1169 HydrophobicContact CB-CD1 4.37Å; A1156-L1169 HydrophobicContact CB-CD2 4.36Å; L1159-L1169 HydrophobicContact CB-CD1 4.18Å; R1160-L1169 HydrophobicContact CG-CD1 3.88Å; V1165-L1169 HydrophobicContact CG1-CD1 4.24Å; V1165-L1169 HydrophobicContact CG1-CG 4.41Å; V1165-L1169 WeakPolarHBondContact O-CB 3.43Å; V1165-L1169 VanDerWaalsContact O-CG 3.31Å; V1165-L1169 WeakPolarHBondContact O-CG 3.01Å; V1165-L1169 PolarHBondContact O-N 2.74Å; E1166-L1169 PolarHBondContact O-N 3.2Å; L1169-L1172 HydrophobicContact CD2-CD1 4.44Å; L1169-L1172 PolarHBondContact O-N 3.37Å; L1169-L1173 VanDerWaalsContact O-CB 3.31Å; L1169-L1173 WeakPolarHBondContact O-CB 3.45Å; L1169-L1173 PolarHBondContact O-N 2.98Å; L1169-I1178 HydrophobicContact CD2-CD1 4.35Å
1170	Q	94.3	Very high	92.9	Very high	95 Å²	95	60 Å²	60	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-47.5	173.1	-70.7	176.4	4.7	0	0	111.7	E1166 L1168 L1173 Q1174	E1166-Q1170 HydrophobicContact CG-CG 4.45Å; E1166-Q1170 WeakPolarHBondContact O-CG 3.26Å; E1166-Q1170 PolarHBondContact O-N 3.13Å; E1166-Q1170 WeakPolarHBondContact OE1-CG 3.32Å; E1166-Q1170 PolarHBondContact OE1-NE2 3.29Å; L1168-Q1170 VanDerWaalsContact C-N 3.34Å; L1168-Q1170 PolarHBondContact O-N 3.01Å; Q1170-L1173 PolarHBondContact O-N 3.13Å; Q1170-Q1174 VanDerWaalsContact O-CG 3.27Å; Q1170-Q1174 WeakPolarHBondContact O-CG 3.45Å; Q1170-Q1174 PolarHBondContact O-N 3.25Å
1171	H	93.3	Very high	92.8	Very high	20 Å²	20	54 Å²	54	9%	0.093	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-43.1	175.6	-175.7	97.3	0	0	0	112	S969 S973 K1167 L1168 L1173 Q1174 Q1175	S969-H1171 PolarHBondContact OG-NE2 2.84Å; S969-H1171 VanDerWaalsContact OG-NE2 3.16Å; S973-H1171 WeakPolarHBondContact CB-ND1 3.39Å; S973-H1171 PolarHBondContact OG-ND1 3.15Å; K1167-H1171 PolarHBondContact O-N 3.08Å; L1168-H1171 PolarHBondContact O-N 2.89Å; H1171-L1173 VanDerWaalsContact C-N 3.31Å; H1171-L1173 PolarHBondContact O-N 2.77Å; H1171-Q1174 PolarHBondContact O-N 2.99Å; H1171-Q1175 WeakPolarHBondContact O-CB 3.42Å; H1171-Q1175 WeakPolarHBondContact O-CG 3.46Å; H1171-Q1175 PolarHBondContact O-N 2.87Å; H1171-Q1175 VanDerWaalsContact O-N 3.07Å
1172	L	94.8	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-36.6	177.2	-69.4	167.1	0	0	0	112.3	L970 V1029 F1031 M1152 L1168 L1169 N1176 M1177 I1178	L970-L1172 HydrophobicContact CD2-CD2 3.82Å; V1029-L1172 HydrophobicContact CG1-CD2 3.53Å; F1031-L1172 HydrophobicContact CB-CD1 3.92Å; F1031-L1172 HydrophobicContact CD2-CD1 4.09Å; F1031-L1172 HydrophobicContact CG-CD1 4.25Å; M1152-L1172 HydrophobicContact CE-CD1 3.93Å; M1152-L1172 HydrophobicContact CE-CD2 3.89Å; L1168-L1172 HydrophobicContact CD1-CD1 3.78Å; L1168-L1172 HydrophobicContact CD1-CD2 4.43Å; L1168-L1172 HydrophobicContact CD1-CG 3.9Å; L1168-L1172 HydrophobicContact CD2-CD1 4.46Å; L1168-L1172 HydrophobicContact CG-CD1 3.7Å; L1168-L1172 HydrophobicContact CG-CG 4.29Å; L1168-L1172 WeakPolarHBondContact O-CB 3.42Å; L1168-L1172 WeakPolarHBondContact O-CG 3.4Å; L1168-L1172 PolarHBondContact O-N 3.49Å; L1169-L1172 HydrophobicContact CD2-CD1 4.44Å; L1169-L1172 PolarHBondContact O-N 3.37Å; L1172-N1176 PolarHBondContact O-N 3.4Å; L1172-M1177 HydrophobicContact CB-CB 4.28Å; L1172-M1177 HydrophobicContact CD2-CB 3.62Å; L1172-M1177 HydrophobicContact CD2-CG 4.39Å; L1172-M1177 HydrophobicContact CD2-SD 3.93Å; L1172-M1177 PolarHBondContact O-N 3.45Å; L1172-I1178 HydrophobicContact CB-CD1 4.15Å; L1172-I1178 HydrophobicContact CB-CG1 3.77Å
1173	L	93.9	Very high	92.3	Very high	98 Å²	98	53.8 Å²	53.8	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-48.1	174.9	-177.7	62.8	0	0	0	111.2	L1169 Q1170 H1171 Q1175 N1176 I1178	L1169-L1173 VanDerWaalsContact O-CB 3.31Å; L1169-L1173 WeakPolarHBondContact O-CB 3.45Å; L1169-L1173 PolarHBondContact O-N 2.98Å; Q1170-L1173 PolarHBondContact O-N 3.13Å; H1171-L1173 VanDerWaalsContact C-N 3.31Å; H1171-L1173 PolarHBondContact O-N 2.77Å; L1173-Q1175 PolarHBondContact O-N 2.95Å; L1173-N1176 PolarHBondContact O-N 3.03Å; L1173-N1176 VanDerWaalsContact O-N 3.08Å; L1173-I1178 HydrophobicContact CB-CD1 3.96Å; L1173-I1178 HydrophobicContact CD1-CD1 4.45Å
1174	Q	92.6	Very high	91.8	Very high	139 Å²	139	50.6 Å²	50.6	65%	0.65	26%	0.26	S	S	*	.	H	α-helix	trans	-58.7	-28.3	177	-71.8	167.9	2.9	0	0	113.2	Q1170 H1171	Q1170-Q1174 VanDerWaalsContact O-CG 3.27Å; Q1170-Q1174 WeakPolarHBondContact O-CG 3.45Å; Q1170-Q1174 PolarHBondContact O-N 3.25Å; H1171-Q1174 PolarHBondContact O-N 2.99Å
1175	Q	91.1	Very high	91.2	Very high	102 Å²	102	49.7 Å²	49.7	48%	0.477	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8.6	179.6	-61	-62.3	-60.7	0	0	113.8	H1171 L1173 M1177	H1171-Q1175 WeakPolarHBondContact O-CB 3.42Å; H1171-Q1175 WeakPolarHBondContact O-CG 3.46Å; H1171-Q1175 PolarHBondContact O-N 2.87Å; H1171-Q1175 VanDerWaalsContact O-N 3.07Å; L1173-Q1175 PolarHBondContact O-N 2.95Å; Q1175-M1177 HydrophobicContact CB-CE 3.87Å; Q1175-M1177 HydrophobicContact CB-CG 3.92Å; Q1175-M1177 HydrophobicContact CB-SD 3.79Å; Q1175-M1177 HydrophobicContact CG-CE 4.5Å; Q1175-M1177 PolarHBondContact O-N 3.07Å
1176	N	91.8	Very high	90.3	Very high	149 Å²	149	51.9 Å²	51.9	80%	0.797	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.2	-177	-64.2	-51.2	0	0	0	114.6	L1172 L1173	L1172-N1176 PolarHBondContact O-N 3.4Å; L1173-N1176 PolarHBondContact O-N 3.03Å; L1173-N1176 VanDerWaalsContact O-N 3.08Å
1177	M	94.6	Very high	89.2	Confident	12 Å²	12	56.1 Å²	56.1	6%	0.059	28%	0.283	C	S	.	.			trans	-93.4	3.6	-178.2	-66.2	173.4	173	0	0	113.8	Q966 L970 V1029 F1031 L1172 Q1175	Q966-M1177 HydrophobicContact CB-CE 3.87Å; Q966-M1177 HydrophobicContact CG-CE 3.87Å; L970-M1177 HydrophobicContact CD2-SD 4.33Å; V1029-M1177 HydrophobicContact CB-CE 4.25Å; V1029-M1177 HydrophobicContact CB-CG 4.23Å; V1029-M1177 HydrophobicContact CB-SD 3.67Å; V1029-M1177 HydrophobicContact CG1-CB 4.19Å; V1029-M1177 HydrophobicContact CG1-CG 4.32Å; V1029-M1177 HydrophobicContact CG1-SD 3.71Å; V1029-M1177 HydrophobicContact CG2-CE 4.44Å; V1029-M1177 HydrophobicContact CG2-SD 4.23Å; F1031-M1177 PolarHBondContact N-O 2.77Å; L1172-M1177 HydrophobicContact CB-CB 4.28Å; L1172-M1177 HydrophobicContact CD2-CB 3.62Å; L1172-M1177 HydrophobicContact CD2-CG 4.39Å; L1172-M1177 HydrophobicContact CD2-SD 3.93Å; L1172-M1177 PolarHBondContact O-N 3.45Å; Q1175-M1177 HydrophobicContact CB-CE 3.87Å; Q1175-M1177 HydrophobicContact CB-CG 3.92Å; Q1175-M1177 HydrophobicContact CB-SD 3.79Å; Q1175-M1177 HydrophobicContact CG-CE 4.5Å; Q1175-M1177 PolarHBondContact O-N 3.07Å
1178	I	95.5	Very high	87.8	Confident	47 Å²	47	52 Å²	52	24%	0.241	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.9	178	-57.6	-179.1	0	0	0	109.7	F1031 D1033 L1169 L1172 L1173	F1031-I1178 HydrophobicContact CB-CG1 4.39Å; F1031-I1178 HydrophobicContact CD1-CG2 4.33Å; D1033-I1178 HydrophobicContact CB-CG2 4.21Å; L1169-I1178 HydrophobicContact CD2-CD1 4.35Å; L1172-I1178 HydrophobicContact CB-CD1 4.15Å; L1172-I1178 HydrophobicContact CB-CG1 3.77Å; L1173-I1178 HydrophobicContact CB-CD1 3.96Å; L1173-I1178 HydrophobicContact CD1-CD1 4.45Å
1179	I	94.1	Very high	86.1	Confident	31 Å²	31	54.7 Å²	54.7	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.8	173.4	-55.5	176.9	0	0	0	107.4	W1018 A1021 A1022 C1030 F1031 L1032 D1033 L1181	W1018-I1179 HydrophobicContact CB-CG2 3.58Å; A1021-I1179 HydrophobicContact CB-CD1 4.06Å; A1022-I1179 HydrophobicContact CB-CD1 4.29Å; C1030-I1179 HydrophobicContact CB-CD1 4.03Å; F1031-I1179 PolarHBondContact O-N 3.31Å; L1032-I1179 WeakPolarHBondContact CA-O 3.39Å; L1032-I1179 HydrophobicContact CD2-CB 3.85Å; L1032-I1179 HydrophobicContact CD2-CD1 4.02Å; L1032-I1179 HydrophobicContact CD2-CG1 4.39Å; L1032-I1179 HydrophobicContact CD2-CG2 4.28Å; D1033-I1179 PolarHBondContact N-O 3Å; I1179-L1181 PolarHBondContact O-N 2.78Å
1180	Q	91.9	Very high	83.9	Confident	76 Å²	76	60 Å²	60	36%	0.355	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.8	174.3	-177.8	83.5	96	0	0	109.9	D1033 K1036	D1033-Q1180 VanDerWaalsContact CG-NE2 3.33Å; D1033-Q1180 PolarHBondContact O-NE2 3.08Å; D1033-Q1180 PolarHBondContact OD2-NE2 3.16Å; K1036-Q1180 HydrophobicContact CD-CG 3.79Å; K1036-Q1180 HydrophobicContact CG-CG 4.5Å
1181	L	91	Very high	81.6	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-75.5	136.2	171.7	-65.1	174.2	0	0	0	111.1	W1018 L1032 D1033 V1037 L1056 I1179 A1185	W1018-L1181 HydrophobicContact CB-CD2 4.48Å; W1018-L1181 HydrophobicContact CD2-CD2 3.42Å; W1018-L1181 VanDerWaalsContact CD2-CD2 3.42Å; W1018-L1181 HydrophobicContact CE3-CD2 3.26Å; W1018-L1181 HydrophobicContact CG-CD2 3.97Å; W1018-L1181 HydrophobicContact CH2-CD2 4.19Å; W1018-L1181 HydrophobicContact CZ2-CD2 4.34Å; W1018-L1181 HydrophobicContact CZ3-CD2 3.68Å; L1032-L1181 HydrophobicContact CB-CD1 4.16Å; L1032-L1181 HydrophobicContact CB-CD2 4.29Å; L1032-L1181 HydrophobicContact CB-CG 4.21Å; L1032-L1181 HydrophobicContact CD1-CD2 4.45Å; D1033-L1181 WeakPolarHBondContact O-CB 3.42Å; D1033-L1181 PolarHBondContact O-N 3.18Å; D1033-L1181 VanDerWaalsContact O-N 3.11Å; V1037-L1181 HydrophobicContact CG2-CB 3.55Å; V1037-L1181 HydrophobicContact CG2-CD1 4.13Å; L1056-L1181 HydrophobicContact CD1-CD1 3.93Å; I1179-L1181 PolarHBondContact O-N 2.78Å; L1181-A1185 HydrophobicContact CB-CB 4.14Å; L1181-A1185 HydrophobicContact CD2-CB 4.37Å
1182	P	87.6	Confident	79.6	Confident	21 Å²	21	57.4 Å²	57.4	14%	0.136	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67	151.4	171.5	27.5	-34.1	0	0	0	110.6	D1015 W1018 A1184 A1185	D1015-P1182 HydrophobicContact CB-CB 4.43Å; D1015-P1182 HydrophobicContact CB-CG 4.15Å; W1018-P1182 VanDerWaalsContact CD1-CD 3.41Å; P1182-A1184 PolarHBondContact O-N 2.96Å; P1182-A1185 HydrophobicContact CG-CB 4.08Å; P1182-A1185 VanDerWaalsContact O-CB 3.26Å; P1182-A1185 WeakPolarHBondContact O-CB 3.43Å; P1182-A1185 PolarHBondContact O-N 3.15Å
1183	P	83.4	Confident	77.2	Confident	81 Å²	81	66.9 Å²	66.9	53%	0.526	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32	-175.1	-26.2	33.1	0	0	0	114.5	K1036 H1186	K1036-P1183 HydrophobicContact CB-CG 4.32Å; K1036-P1183 VanDerWaalsContact O-CA 3.28Å; K1036-P1183 WeakPolarHBondContact O-CA 3.48Å; K1036-P1183 WeakPolarHBondContact O-CB 3.39Å; P1183-H1186 PolarHBondContact O-CE1 3.03Å; P1183-H1186 PolarHBondContact O-ND1 2.59Å
1184	A	79.3	Confident	74.6	Confident	33 Å²	33	67.9 Å²	67.9	27%	0.273	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.8	178.6	0	0	0	0	0	114.7	P1182 H1186 K1187	P1182-A1184 PolarHBondContact O-N 2.96Å; A1184-H1186 PolarHBondContact O-N 3Å; A1184-H1186 VanDerWaalsContact O-N 3.13Å; A1184-K1187 HydrophobicContact CB-CD 4.46Å; A1184-K1187 WeakPolarHBondContact O-CA 3.48Å; A1184-K1187 VanDerWaalsContact O-CB 3.32Å; A1184-K1187 WeakPolarHBondContact O-CB 3.25Å; A1184-K1187 PolarHBondContact O-N 2.98Å
1185	A	78.4	Confident	73.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37.8	-178.2	0	0	0	0	0	113.3	W1018 V1037 L1181 P1182 K1187 A1188	W1018-A1185 HydrophobicContact CZ2-CB 4.07Å; V1037-A1185 HydrophobicContact CG2-CB 4.29Å; L1181-A1185 HydrophobicContact CB-CB 4.14Å; L1181-A1185 HydrophobicContact CD2-CB 4.37Å; P1182-A1185 HydrophobicContact CG-CB 4.08Å; P1182-A1185 VanDerWaalsContact O-CB 3.26Å; P1182-A1185 WeakPolarHBondContact O-CB 3.43Å; P1182-A1185 PolarHBondContact O-N 3.15Å; A1185-K1187 PolarHBondContact O-N 2.73Å; A1185-A1188 WeakPolarHBondContact O-CB 3.48Å; A1185-A1188 PolarHBondContact O-N 3.21Å
1186	H	72.9	Confident	72.8	Confident	46 Å²	46	62.4 Å²	62.4	21%	0.213	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-64.9	-20.5	174.4	69.3	-81.4	0	0	0	113.7	V1037 P1038 T1052 P1183 A1184 A1188 L1189	V1037-H1186 HydrophobicContact CG1-CB 4.1Å; P1038-H1186 WeakPolarHBondContact CG-CE1 3.49Å; T1052-H1186 HydrophobicContact CG2-CB 3.87Å; P1183-H1186 PolarHBondContact O-CE1 3.03Å; P1183-H1186 PolarHBondContact O-ND1 2.59Å; A1184-H1186 PolarHBondContact O-N 3Å; A1184-H1186 VanDerWaalsContact O-N 3.13Å; H1186-A1188 VanDerWaalsContact C-N 3.34Å; H1186-L1189 HydrophobicContact CB-CD1 4.46Å; H1186-L1189 WeakPolarHBondContact O-CB 3.28Å; H1186-L1189 WeakPolarHBondContact O-CD1 3.33Å; H1186-L1189 WeakPolarHBondContact O-CG 3.37Å; H1186-L1189 PolarHBondContact O-N 3.15Å
1187	K	71.2	Confident	71.7	Confident	134 Å²	134	57.6 Å²	57.6	58%	0.583	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-83.2	-8.6	178	-57.2	-170.9	176.5	179.3	0	113.3	L1014 A1184 A1185 L1189 P1190	L1014-K1187 HydrophobicContact CD2-CB 4.39Å; A1184-K1187 HydrophobicContact CB-CD 4.46Å; A1184-K1187 WeakPolarHBondContact O-CA 3.48Å; A1184-K1187 VanDerWaalsContact O-CB 3.32Å; A1184-K1187 WeakPolarHBondContact O-CB 3.25Å; A1184-K1187 PolarHBondContact O-N 2.98Å; A1185-K1187 PolarHBondContact O-N 2.73Å; K1187-L1189 PolarHBondContact O-N 3.07Å; K1187-P1190 VanDerWaalsContact O-CD 3.25Å; K1187-P1190 WeakPolarHBondContact O-CD 3.4Å
1188	A	63.7	Low	70.4	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.033	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-68.4	-25.2	167.7	0	0	0	0	0	112.3	L1014 L1016 M1059 A1185 H1186 S1191	L1014-A1188 HydrophobicContact CD2-CB 4.22Å; L1016-A1188 HydrophobicContact CD2-CB 4.29Å; M1059-A1188 HydrophobicContact CE-CB 3.96Å; A1185-A1188 WeakPolarHBondContact O-CB 3.48Å; A1185-A1188 PolarHBondContact O-N 3.21Å; H1186-A1188 VanDerWaalsContact C-N 3.34Å; A1188-S1191 WeakPolarHBondContact CA-OG 3.4Å; A1188-S1191 PolarHBondContact O-N 3.13Å; A1188-S1191 VanDerWaalsContact O-N 3.11Å; A1188-S1191 PolarHBondContact O-OG 3Å
1189	L	57.3	Low	68.8	Low	58 Å²	58	61.1 Å²	61.1	30%	0.304	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-43.6	-173.7	-67.8	171.3	0	0	0	115.6	A1055 M1059 H1186 K1187	A1055-L1189 HydrophobicContact CB-CD1 3.5Å; A1055-L1189 VanDerWaalsContact CB-CD1 3.5Å; A1055-L1189 HydrophobicContact CB-CD2 4.02Å; A1055-L1189 HydrophobicContact CB-CG 4.44Å; A1055-L1189 VanDerWaalsContact O-CD2 3.25Å; A1055-L1189 WeakPolarHBondContact O-CD2 3.4Å; M1059-L1189 HydrophobicContact CB-CD2 3.86Å; M1059-L1189 HydrophobicContact CE-CD2 3.56Å; M1059-L1189 HydrophobicContact CE-CG 4.08Å; M1059-L1189 HydrophobicContact CG-CD2 4.46Å; H1186-L1189 HydrophobicContact CB-CD1 4.46Å; H1186-L1189 WeakPolarHBondContact O-CB 3.28Å; H1186-L1189 WeakPolarHBondContact O-CD1 3.33Å; H1186-L1189 WeakPolarHBondContact O-CG 3.37Å; H1186-L1189 PolarHBondContact O-N 3.15Å; K1187-L1189 PolarHBondContact O-N 3.07Å
1190	P	49.3	Very low	67.1	Low	114 Å²	114	63.1 Å²	63.1	74%	0.74	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-5.4	-177.4	-3.2	24.8	0	0	0	113.1	K1187	K1187-P1190 VanDerWaalsContact O-CD 3.25Å; K1187-P1190 WeakPolarHBondContact O-CD 3.4Å
1191	S	45.9	Very low	65.4	Low	31 Å²	31	62.1 Å²	62.1	22%	0.217	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-13.9	-163.9	64.6	0	0	0	0	115.3	A1188	A1188-S1191 WeakPolarHBondContact CA-OG 3.4Å; A1188-S1191 PolarHBondContact O-N 3.13Å; A1188-S1191 VanDerWaalsContact O-N 3.11Å; A1188-S1191 PolarHBondContact O-OG 3Å
1192	M	51.4	Low	63.4	Low	29 Å²	29	66.9 Å²	66.9	14%	0.143	36%	0.363	C	S	.	.	S	Bend	trans	-105.4	115	174.1	-55.7	-169.4	82.7	0	0	108.6	L1004 C1007 L1194	L1004-M1192 HydrophobicContact CD2-CE 3.78Å; L1004-M1192 HydrophobicContact CD2-SD 4.05Å; C1007-M1192 HydrophobicContact CB-CE 4.32Å; M1192-L1194 HydrophobicContact CB-CD1 4.17Å; M1192-L1194 HydrophobicContact CB-CG 4.05Å; M1192-L1194 PolarHBondContact O-N 2.75Å; M1192-L1194 VanDerWaalsContact O-N 3.13Å
1193	H	43.9	Very low	61.4	Low	200 Å²	200	70.8 Å²	70.8	93%	0.926	38%	0.382	S	S	*	.			trans	-71	103.3	164	-78.3	-69.4	0	0	0	107.7
1194	L	40	Very low	59.4	Low	119 Å²	119	69.8 Å²	69.8	62%	0.623	37%	0.369	S	S	*	.			trans	-107.4	0	-177.4	-82.4	166.2	0	0	0	111.4	L1063 K1066 M1192	L1063-L1194 HydrophobicContact CD2-CD2 3.86Å; L1063-L1194 HydrophobicContact CG-CD1 4.46Å; L1063-L1194 HydrophobicContact CG-CD2 4.49Å; K1066-L1194 HydrophobicContact CD-CD2 4.24Å; M1192-L1194 HydrophobicContact CB-CD1 4.17Å; M1192-L1194 HydrophobicContact CB-CG 4.05Å; M1192-L1194 PolarHBondContact O-N 2.75Å; M1192-L1194 VanDerWaalsContact O-N 3.13Å

Retrieved 1,194 of 1,194 residues in 298.2 ms (Link to these results)

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