A0A087Y2M7_POEFO Loading...

Probable ATP-dependent RNA helicase DDX23

Involved in pre-mRNA splicing and its phosphorylated form (by SRPK2) is required for spliceosomal B complex formation. Independently of its spliceosome formation function, required for the suppression of incorrect R-loops formed during transcription; R-loops are composed of a DNA:RNA hybrid and the associated non-template single-stranded DNA.

AlphaFold DB , UniProt , Accession A0A087Y2M7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 807 aa.

						>A0A087Y2M7_POEFO|A0A087Y2M7
MAADTDRKDAESSGNKDRERKRSRSRDRDRRGSPSRKRHRSRERNRSKSPDRIKRDRRMKDKDRDKDRDRDKDRDRSRKDRDSHRRDKDRKRSRSLSPKSRDSKLKKEKDIKTEEEEDDKKKKEKVQPLSLEELLAKKKAEEEAEAKPKFLSRAEREAEAIKRREQQVEERKKLMDEERKKRRMFQDIGRKMLEDPQERERRERRERMERENNGNDEDDGRQKLREEKDKSKELHAIKERYLGGIKKRRRTRHLNDRKFVFEWDASEDTSVDYNPIYKEKHQVQLYGRGFIAGIDLKQQKREQSRFYGDLMEKRRTLEEKEQEETRLKKVRKKEAKQRWDDRHWSQKKLDEMTDRDWRIFREDYSITTKGGKIPNPIRNWKEYSLPAHILEVIDKCGYKDPTPIQRQAIPIGLQNRDIIGVAETGSGKTAAFLIPLLVWITTLPKIDRIEDSDQGPYAVILAPTRELAQQIEEETIKFGKPLGIRTVAVIGGISREDQGFRLRMGCEIVIATPGRLIDVLENRYLVLGRCTYVVLDEADRMIDMGFEPDVQKILEYIPVTNQKPDTDEAEDPEKMMMNFESGKHKYRQTVMFTATMPPAVERLARSYLRRPAVVYIGSAGKPHERVEQKVLLMSEGEKRKKLLEVLSHGFEPPIIIFVNQKKGCDVLAKSLEKMGYNACTLHGGKGQEQREFALSNLKAGAKDILVATDVAGRGIDIQDVSMVINYDMAKNIEDYIHRIGRTGRAGKSGVAMTFLTKEDSAVFYDLKQAILESPVSTCPPELTNHPDAQHKPGTILTKKRREETIFA
					

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	36	Very low	33.7	Very low	249 Å²	249	143.5 Å²	143.5	100%	1.227	79%	0.787	S	S	*	*				0	132.3	0	-68.6	168.9	166.7	0	0	107.7
2	A	31.5	Very low	33.4	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	78%	0.784	S	S	*	*			cis	-163	136.2	-25.4	0	0	0	0	0	106.9
3	A	33	Very low	33.2	Very low	99 Å²	99	138.2 Å²	138.2	82%	0.818	78%	0.784	S	S	*	*			trans	62.1	159	164.2	0	0	0	0	0	119.6
4	D	35.2	Very low	32.8	Very low	139 Å²	139	133.9 Å²	133.9	74%	0.743	79%	0.785	S	S	*	*			cis	-168.5	173.3	-47.7	-138.7	-39.9	0	0	0	108.1
5	T	36.3	Very low	32.5	Very low	115 Å²	115	134.7 Å²	134.7	71%	0.706	79%	0.785	S	S	*	*			trans	60.9	140.2	151.1	53.6	0	0	0	0	121.8
6	D	37.9	Very low	32.2	Very low	103 Å²	103	136.5 Å²	136.5	55%	0.551	78%	0.78	S	S	*	*			cis	-169.4	164.7	-27.1	-143.8	-20.2	0	0	0	110.9
7	R	35.5	Very low	32.2	Very low	195 Å²	195	136.8 Å²	136.8	74%	0.736	78%	0.779	S	S	*	*			trans	67.4	141.8	143.3	-89.6	167.6	-133.5	-159.6	6.5	120.7
8	K	32.8	Very low	32.1	Very low	169 Å²	169	142.9 Å²	142.9	74%	0.735	79%	0.787	S	S	*	*			cis	-152.2	168.7	8.1	-85.9	-170.6	162.1	-163.5	0	108.4
9	D	31.3	Very low	32.1	Very low	131 Å²	131	144 Å²	144	70%	0.701	79%	0.786	S	S	*	*			cis	-158.7	166.7	-19.4	-96.4	-21.5	0	0	0	105.8
10	A	31.3	Very low	32	Very low	96 Å²	96	148.7 Å²	148.7	79%	0.793	79%	0.792	S	S	*	*			trans	-122.8	147.1	-174	0	0	0	0	0	114.1
11	E	30.3	Very low	32	Very low	189 Å²	189	150.3 Å²	150.3	88%	0.883	79%	0.792	S	S	*	*			trans	-140	119.3	151.7	-77.3	-172.8	159.8	0	0	106.2
12	S	30.1	Very low	31.7	Very low	106 Å²	106	149.9 Å²	149.9	74%	0.741	78%	0.777	S	S	*	*				58.4	136.6	51	156.7	0	0	0	0	113
13	S	30.1	Very low	31.7	Very low	113 Å²	113	150.8 Å²	150.8	79%	0.79	78%	0.777	S	S	*	*			cis	-171.9	150.4	-16.6	49.5	0	0	0	0	107.1
14	G	27.5	Very low	31.6	Very low	78 Å²	78	157.8 Å²	157.8	80%	0.804	78%	0.783	S	S	*	*			trans	-173.1	29.4	-168.8	0	0	0	0	0	121.3
15	N	28.1	Very low	31.4	Very low	145 Å²	145	156.1 Å²	156.1	78%	0.775	78%	0.782	S	S	*	*			trans	13.7	116.9	145.1	-157.7	13.4	0	0	0	119.5
16	K	28.8	Very low	31.2	Very low	164 Å²	164	162.7 Å²	162.7	71%	0.713	79%	0.794	S	S	*	*				173.2	152.8	109.1	-99.1	-177.1	176	-176.7	0	118.4
17	D	31.9	Very low	30.9	Very low	142 Å²	142	164.4 Å²	164.4	76%	0.759	80%	0.803	S	S	*	*			trans	73.3	113.7	147.6	-58.6	-20.7	0	0	0	123.2
18	R	30.8	Very low	30.7	Very low	246 Å²	246	166.4 Å²	166.4	93%	0.928	81%	0.81	S	S	*	*			trans	-78.3	138.4	162.9	-63.1	162.8	164.7	166.2	-5	109.8
19	E	31.1	Very low	30.5	Very low	164 Å²	164	165.3 Å²	165.3	77%	0.766	81%	0.812	S	S	*	*			trans	-130.2	130.3	145.7	-103.6	-149.4	163.8	0	0	111.9	K21	E19-K21 IonicContact OE2-NZ 3.2Å; E19-K21 PolarHBondContact OE2-NZ 3.16Å
20	R	31.1	Very low	30.5	Very low	237 Å²	237	171 Å²	171	89%	0.894	82%	0.824	S	S	*	*			trans	-89.5	132.5	171.1	-70	167.4	163.1	165.9	-7.6	108.9
21	K	30.5	Very low	30.4	Very low	184 Å²	184	178 Å²	178	80%	0.8	83%	0.83	S	S	*	*			trans	-123.7	139.3	155.6	-77.4	-179.5	179.9	148.5	0	112.1	E19	E19-K21 IonicContact OE2-NZ 3.2Å; E19-K21 PolarHBondContact OE2-NZ 3.16Å
22	R	30	Very low	30.3	Very low	239 Å²	239	172.6 Å²	172.6	90%	0.902	83%	0.825	S	S	*	*			trans	-92.7	158.6	-161.8	-74.1	171.4	164.6	157.6	-7.9	112.4
23	S	32.3	Very low	30.4	Very low	112 Å²	112	173.3 Å²	173.3	78%	0.783	83%	0.83	S	S	*	*			trans	-43.8	147	158.1	47	0	0	0	0	114.4
24	R	30.1	Very low	31.3	Very low	247 Å²	247	173.9 Å²	173.9	93%	0.932	83%	0.831	S	S	*	*			trans	-138.8	112.6	151.9	-84.8	-172.1	169.8	153.7	-1.9	110.2
25	S	31.4	Very low	31.4	Very low	104 Å²	104	175.6 Å²	175.6	73%	0.727	83%	0.831	S	S	*	*			trans	-74.8	160	157.3	48.5	0	0	0	0	110.3
26	R	31.6	Very low	31.6	Very low	253 Å²	253	180.6 Å²	180.6	96%	0.955	84%	0.839	S	S	*	*			trans	-155.3	110	157.2	-115.1	179.3	-175.8	-176.6	-0.2	111
27	D	31.9	Very low	31.5	Very low	138 Å²	138	181.5 Å²	181.5	74%	0.738	84%	0.843	S	S	*	*			trans	-71.2	154.9	165.1	-51.3	-78.2	0	0	0	111.2
28	R	30.8	Very low	31.3	Very low	238 Å²	238	184.6 Å²	184.6	90%	0.898	84%	0.844	S	S	*	*				174.5	141.6	99.6	-95.6	-174.4	177.1	171.9	-0	114.2
29	D	30.4	Very low	31.2	Very low	145 Å²	145	178.8 Å²	178.8	78%	0.775	83%	0.827	S	S	*	*			trans	-63.6	157.4	164.5	-49.7	-97	0	0	0	113.7
30	R	30.1	Very low	31	Very low	252 Å²	252	180.7 Å²	180.7	95%	0.951	83%	0.827	S	S	*	*				-163.3	145.6	108.3	-105.7	172	-177.1	-167.8	0	115.1
31	R	29.3	Very low	30.8	Very low	242 Å²	242	174.2 Å²	174.2	91%	0.913	82%	0.818	S	S	*	*			trans	-66.1	158.9	-173	-59.2	166.9	177.3	-174.8	-2.8	114.4
32	G	27.6	Very low	30.8	Very low	75 Å²	75	177.6 Å²	177.6	77%	0.773	83%	0.826	S	S	*	*			trans	-153.4	12.2	178.7	0	0	0	0	0	119.8
33	S	34	Very low	30.6	Very low	122 Å²	122	173 Å²	173	85%	0.853	81%	0.814	S	S	*	*			trans	59.8	162.6	158.5	-72.4	0	0	0	0	121.6
34	P	47.6	Very low	30.5	Very low	124 Å²	124	177.1 Å²	177.1	81%	0.805	81%	0.813	S	S	*	*			trans	-131.3	177	-147.3	44	-30	0	0	0	117.1
35	S	30.7	Very low	30.4	Very low	115 Å²	115	171.1 Å²	171.1	80%	0.804	80%	0.799	S	S	*	*			trans	-136.8	109.8	157.9	58.1	0	0	0	0	115.3
36	R	30.7	Very low	30.2	Very low	250 Å²	250	176.4 Å²	176.4	94%	0.943	80%	0.803	S	S	*	*			trans	57.5	111.4	145.5	-64.3	-176.7	173.8	175.4	-1.7	121.9
37	K	27.7	Very low	30.1	Very low	183 Å²	183	169.2 Å²	169.2	80%	0.796	79%	0.792	S	S	*	*			trans	-93.6	145.5	156.8	-83	175.5	175.6	170.2	0	111.3
38	R	28.2	Very low	30	Very low	206 Å²	206	172.5 Å²	172.5	78%	0.777	80%	0.799	S	S	*	*			trans	60.9	164	144.7	-61.7	176	175.8	-176	-3.3	115.9
39	H	28.5	Very low	30	Very low	125 Å²	125	166.4 Å²	166.4	58%	0.579	79%	0.793	S	S	*	*			cis	-166.7	154.5	26.8	-134.8	-37.9	0	0	0	111.6
40	R	26.1	Very low	31	Very low	203 Å²	203	164.6 Å²	164.6	77%	0.766	79%	0.79	S	S	*	*			trans	65.7	120.8	137	-97.6	167.3	-174	170.4	0.5	122.8
41	S	28.1	Very low	31	Very low	101 Å²	101	159.2 Å²	159.2	71%	0.706	78%	0.779	S	S	*	*				60.7	129.4	124.8	68.8	0	0	0	0	122.2
42	R	28.8	Very low	31.1	Very low	256 Å²	256	158.2 Å²	158.2	97%	0.966	78%	0.776	S	S	*	*				-158.4	171.3	112.4	-112.6	169.2	177.1	164.9	-2.4	112.7
43	E	27.8	Very low	31.3	Very low	141 Å²	141	160.8 Å²	160.8	66%	0.659	77%	0.77	S	S	*	*			trans	-130.1	165.8	-158.6	-164.5	-169.6	-107.3	0	0	109.5
44	R	29.1	Very low	31.3	Very low	200 Å²	200	162.7 Å²	162.7	76%	0.755	76%	0.763	S	S	*	*			trans	78.4	149.7	165.8	-57.5	178.7	-168	-160.8	-3.5	116.6
45	N	27.2	Very low	30.5	Very low	120 Å²	120	165.8 Å²	165.8	64%	0.642	76%	0.759	S	S	*	*			cis	-162.5	151.4	-3.3	-118.3	-15.4	0	0	0	113.7
46	R	28.6	Very low	30.5	Very low	216 Å²	216	164.6 Å²	164.6	82%	0.815	74%	0.744	S	S	*	*			trans	55.1	120.3	139.5	-73.9	-178.7	169.3	173.7	-4	124.9
47	S	28.9	Very low	30.5	Very low	101 Å²	101	160.4 Å²	160.4	71%	0.706	73%	0.728	S	S	*	*				74.2	121.5	122	71.9	0	0	0	0	123.9
48	K	28.7	Very low	30.6	Very low	207 Å²	207	161.5 Å²	161.5	90%	0.9	73%	0.727	S	S	*	*				-178.2	159.2	106	-99.6	179.3	177.7	-179	0	112.7
49	S	31.8	Very low	30.7	Very low	110 Å²	110	159.8 Å²	159.8	77%	0.769	73%	0.73	S	S	*	*			trans	-111.7	-167.3	170.7	-44.5	0	0	0	0	109
50	P	50.8	Low	30.8	Very low	108 Å²	108	161.7 Å²	161.7	70%	0.701	74%	0.736	S	S	*	*			cis	-140.5	178.8	-5.5	43	-25.1	0	0	0	116.3
51	D	30.4	Very low	31.1	Very low	138 Å²	138	158.1 Å²	158.1	74%	0.738	73%	0.733	S	S	*	*				166	129	129.1	-90.6	-29.4	0	0	0	110.7
52	R	31.5	Very low	31.2	Very low	222 Å²	222	163 Å²	163	84%	0.838	74%	0.741	S	S	*	*				67.2	124	71.2	-89.7	179.9	176.8	-171.3	1.9	112.6
53	I	32.8	Very low	31.4	Very low	128 Å²	128	158 Å²	158	66%	0.656	73%	0.733	S	S	*	*				-170.2	140.6	53.5	-120.2	158.4	0	0	0	113.2
54	K	32.6	Very low	31.6	Very low	163 Å²	163	162.8 Å²	162.8	71%	0.709	75%	0.745	S	S	*	*			trans	60	150.7	144.2	-69.7	179.1	-172.7	167.2	0	120.6
55	R	31.3	Very low	31.7	Very low	189 Å²	189	160.4 Å²	160.4	71%	0.713	75%	0.748	S	S	*	*			cis	-169	174.5	14.1	-122.6	-173.2	166.9	150.1	2.1	108.6
56	D	30.9	Very low	31.9	Very low	90 Å²	90	163.5 Å²	163.5	48%	0.481	76%	0.755	S	S	.	*			cis	-163.4	140.3	-21	-135.1	-26	0	0	0	107.5
57	R	31.4	Very low	32	Very low	161 Å²	161	158 Å²	158	61%	0.608	74%	0.742	S	S	*	*			trans	76.3	152.2	147.5	-59.7	163.2	-160.7	-167.9	10.9	121.1
58	R	29.3	Very low	32	Very low	206 Å²	206	163.1 Å²	163.1	78%	0.777	75%	0.746	S	S	*	*			cis	-160.1	132.3	-10.4	-114.3	163.9	-170.4	-173.3	-0	112.2
59	M	30.6	Very low	32.2	Very low	171 Å²	171	158.1 Å²	158.1	84%	0.842	73%	0.729	S	S	*	*			trans	15.5	138.4	133.3	-89.3	-174	170.8	0	0	124.4
60	K	29.7	Very low	32.1	Very low	164 Å²	164	162.3 Å²	162.3	71%	0.713	73%	0.728	S	S	*	*				107.5	115.5	125	-92.8	-164.5	162.9	-174.3	0	122
61	D	32.9	Very low	31.3	Very low	129 Å²	129	163.4 Å²	163.4	69%	0.69	73%	0.728	S	S	*	*			trans	26.3	126.5	134.6	-38.4	-27.7	0	0	0	120.7
62	K	30.7	Very low	31.4	Very low	203 Å²	203	164.6 Å²	164.6	88%	0.883	73%	0.727	S	S	*	*				-173.5	143.6	119.7	-107.2	169.5	-178.2	179.2	0	114.3
63	D	33.4	Very low	31.5	Very low	150 Å²	150	158.9 Å²	158.9	80%	0.802	71%	0.713	S	S	*	*			trans	-68.7	148.1	164.3	-46	-82.9	0	0	0	112.2
64	R	30.7	Very low	31.6	Very low	242 Å²	242	162.8 Å²	162.8	91%	0.913	72%	0.719	S	S	*	*				177.1	142.7	122.2	-100.4	173.7	179.2	-173.5	-1.3	113.2
65	D	32.2	Very low	31.7	Very low	150 Å²	150	160.5 Å²	160.5	80%	0.802	72%	0.715	S	S	*	*			trans	-62.5	144.3	164.1	-49.7	-80.7	0	0	0	111.9
66	K	31.8	Very low	31.7	Very low	185 Å²	185	161.7 Å²	161.7	80%	0.804	72%	0.72	S	S	*	*				172.5	143.5	100.7	-98	-168.4	174.4	-178.9	0	115.6
67	D	30.1	Very low	31.8	Very low	101 Å²	101	161.9 Å²	161.9	54%	0.54	73%	0.728	S	S	.	*			trans	37.3	114.5	138.5	-69.3	-62.8	0	0	0	122.1
68	R	29.2	Very low	31.7	Very low	208 Å²	208	165.2 Å²	165.2	79%	0.785	74%	0.74	S	S	*	*				85.6	145.3	115.4	-70.8	178.4	-165.7	-151.8	-3.8	123.5
69	D	31.5	Very low	31.8	Very low	103 Å²	103	164.2 Å²	164.2	55%	0.551	74%	0.741	S	S	*	*			trans	89.4	111.1	143.2	-80.3	-48.7	0	0	0	119.8
70	R	30	Very low	31.9	Very low	197 Å²	197	162.8 Å²	162.8	74%	0.743	74%	0.737	S	S	*	*			trans	74.1	150	132	-67	171.8	-153.9	-168.5	8.3	118.2
71	D	34.5	Very low	31.9	Very low	131 Å²	131	165.1 Å²	165.1	70%	0.701	74%	0.742	S	S	*	*			cis	-122.7	154.1	10	-85.7	-59.2	0	0	0	110.6
72	K	32.7	Very low	31.8	Very low	163 Å²	163	165.1 Å²	165.1	71%	0.709	74%	0.742	S	S	*	*				57.8	140	63.5	-78.2	-169.6	168.9	-164.9	0	113.1
73	D	34	Very low	31.8	Very low	103 Å²	103	160.5 Å²	160.5	55%	0.551	74%	0.735	S	S	*	*			cis	-161.9	167.8	11.8	-131.7	-0.9	0	0	0	111.1
74	R	34.5	Very low	31.8	Very low	209 Å²	209	162.4 Å²	162.4	79%	0.789	74%	0.739	S	S	*	*			trans	85.3	143.7	144.2	-77	162.8	-165	-157.3	-1.4	120.7
75	D	34.5	Very low	31.8	Very low	116 Å²	116	162 Å²	162	62%	0.62	74%	0.737	S	S	*	*			cis	-170.1	137.4	-15.1	-147.8	-4.5	0	0	0	106.8
76	R	31.8	Very low	31.6	Very low	214 Å²	214	165.9 Å²	165.9	81%	0.808	74%	0.741	S	S	*	*				173.4	128.3	85.9	-95.9	146.3	-170	-168.7	1.6	107.1
77	S	31.9	Very low	31.5	Very low	93 Å²	93	163.7 Å²	163.7	65%	0.65	74%	0.737	S	S	*	*				83	137.4	64.7	88.8	0	0	0	0	113.7
78	R	30.8	Very low	31.5	Very low	232 Å²	232	167.9 Å²	167.9	88%	0.875	75%	0.751	S	S	*	*			cis	-177.8	174.5	-16.6	-129.3	178.7	-178.4	170.5	0.3	110
79	K	30.3	Very low	31.7	Very low	184 Å²	184	163.3 Å²	163.3	80%	0.8	74%	0.742	S	S	*	*			trans	91.6	118.7	170.2	-60	179.6	177.4	178	0	115.1
80	D	32.6	Very low	31.7	Very low	141 Å²	141	170.7 Å²	170.7	75%	0.754	76%	0.762	S	S	*	*				75.1	129.2	54.9	-61.7	-44	0	0	0	111.3
81	R	29.8	Very low	31.9	Very low	214 Å²	214	170.1 Å²	170.1	81%	0.808	77%	0.765	S	S	*	*			cis	-163.3	170.8	42.4	-135	-179.4	-144.4	179.2	1	114.2
82	D	31.1	Very low	31.7	Very low	129 Å²	129	175.5 Å²	175.5	69%	0.69	78%	0.776	S	S	*	*			trans	78.6	117.7	148.4	-61.6	-30.6	0	0	0	124.2
83	S	30.8	Very low	31.6	Very low	106 Å²	106	173.4 Å²	173.4	74%	0.741	78%	0.782	S	S	*	*				126.5	135.7	117.9	77.7	0	0	0	0	120.3
84	H	33.1	Very low	31.4	Very low	189 Å²	189	180 Å²	180	88%	0.875	80%	0.799	S	S	*	*			trans	63.2	130.2	156.4	-69.4	-62.4	0	0	0	125.2
85	R	30.7	Very low	31.3	Very low	235 Å²	235	175.7 Å²	175.7	89%	0.887	80%	0.801	S	S	*	*			trans	-86.7	136.9	166.3	-59.2	165.9	168.9	171.3	-5.7	110.8
86	R	28.2	Very low	31.1	Very low	231 Å²	231	178.8 Å²	178.8	87%	0.872	82%	0.816	S	S	*	*				176.2	156	116.9	-103.3	-177.4	170.2	157.5	-1.3	113.7
87	D	29.8	Very low	31	Very low	138 Å²	138	173.9 Å²	173.9	74%	0.738	82%	0.815	S	S	*	*			trans	-15.6	141.3	168.8	-54.2	-75.3	0	0	0	119.6
88	K	30.4	Very low	31.3	Very low	190 Å²	190	175.2 Å²	175.2	83%	0.826	82%	0.822	S	S	*	*				-167.9	141.6	119.6	-109	178.6	177.8	172.3	0	117
89	D	32.5	Very low	31.2	Very low	112 Å²	112	174.1 Å²	174.1	60%	0.599	82%	0.823	S	S	*	*			trans	46.9	94.1	139.6	-63.7	-36	0	0	0	120.9
90	R	31.6	Very low	31.2	Very low	257 Å²	257	171.1 Å²	171.1	97%	0.97	83%	0.825	S	S	*	*			trans	-79.9	110.7	142.6	-80.6	-179.9	169.6	173	-3.3	109.5
91	K	33.5	Very low	31.1	Very low	186 Å²	186	176.1 Å²	176.1	81%	0.809	83%	0.834	S	S	*	*			trans	-124.5	130.3	163.2	-88.6	178.8	178.8	164.1	0	111.7
92	R	30.3	Very low	31	Very low	243 Å²	243	173.5 Å²	173.5	92%	0.917	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.6	-179.5	-74.5	171.4	163.6	166.7	-8.4	111.4
93	S	31.6	Very low	30.9	Very low	120 Å²	120	171.7 Å²	171.7	84%	0.839	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-59	139.6	168.4	40.3	0	0	0	0	111.5
94	R	30.5	Very low	30.7	Very low	240 Å²	240	175.3 Å²	175.3	91%	0.906	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-90.9	134.9	171.9	-83	178.3	165.2	164.5	-6.7	110.5
95	S	31.3	Very low	30.5	Very low	119 Å²	119	173.1 Å²	173.1	83%	0.832	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-69.2	148.8	161.6	43.1	0	0	0	0	110.9
96	L	30.4	Very low	30.4	Very low	181 Å²	181	171.4 Å²	171.4	95%	0.948	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-94.7	137.9	171.7	-74.7	163.3	0	0	0	110
97	S	29.7	Very low	30.3	Very low	112 Å²	112	170 Å²	170	78%	0.783	83%	0.829	S	S	*	*			trans	-128.7	158.7	169.2	57.7	0	0	0	0	110.4
98	P	38.4	Very low	30.3	Very low	121 Å²	121	171.5 Å²	171.5	79%	0.786	83%	0.831	S	S	*	*			trans	-102.1	140.7	-157.1	36.2	-32.7	0	0	0	116.2
99	K	29.2	Very low	30.2	Very low	209 Å²	209	172.3 Å²	172.3	91%	0.909	84%	0.835	S	S	*	*			trans	36	122.1	143.2	-64	-177	176.6	179.8	0	120.2
100	S	28.8	Very low	30	Very low	121 Å²	121	174 Å²	174	85%	0.846	84%	0.844	S	S	*	*			trans	-104	149.1	141.9	53.3	0	0	0	0	110.6
101	R	30.6	Very low	29.9	Very low	245 Å²	245	169.3 Å²	169.3	93%	0.925	84%	0.836	S	S	*	*			trans	-88.3	153.6	172.7	-74.5	167.1	150.8	167.5	-8.9	109.6
102	D	28.4	Very low	29.7	Very low	159 Å²	159	169 Å²	169	85%	0.85	84%	0.835	S	S	*	*				-152.5	174.9	125.8	-133.9	-36.9	0	0	0	112.6
103	S	28.6	Very low	29.6	Very low	91 Å²	91	161.9 Å²	161.9	64%	0.636	82%	0.818	S	S	*	*			trans	-137.6	140.1	-163.4	61.1	0	0	0	0	113.7
104	K	28	Very low	29.5	Very low	183 Å²	183	164 Å²	164	80%	0.796	82%	0.815	S	S	*	*			trans	160.2	140.6	130.1	-91.6	170.5	172.9	177.7	0	115.9
105	L	27.9	Very low	29.5	Very low	143 Å²	143	161.1 Å²	161.1	75%	0.749	81%	0.812	S	S	*	*			trans	63.8	113.3	136.8	-64.9	165.3	0	0	0	123.3
106	K	28.6	Very low	29.5	Very low	198 Å²	198	163.9 Å²	163.9	86%	0.861	81%	0.812	S	S	*	*			trans	19.7	128.2	132.2	-68	-174.6	171.7	-171.4	0	120.4
107	K	26.9	Very low	29.4	Very low	202 Å²	202	164.6 Å²	164.6	88%	0.878	81%	0.81	S	S	*	*				-170.8	161.7	104	-112.3	-179	175.3	-178	0	113.4
108	E	29.9	Very low	29.5	Very low	170 Å²	170	164.8 Å²	164.8	79%	0.794	80%	0.802	S	S	*	*			trans	-82.9	158.5	-180	-53.6	133.5	140.5	0	0	113.1
109	K	27.5	Very low	29.1	Very low	206 Å²	206	166.6 Å²	166.6	90%	0.896	81%	0.806	S	S	*	*				-176.2	152.9	114.7	-103.5	-175.1	175.1	-168.8	0	114.4
110	D	28.9	Very low	29.3	Very low	149 Å²	149	163.8 Å²	163.8	80%	0.797	79%	0.793	S	S	*	*			trans	-83	166.3	-176.7	-51.1	-87.7	0	0	0	115.9
111	I	29.4	Very low	29.4	Very low	157 Å²	157	168.4 Å²	168.4	81%	0.805	80%	0.798	S	S	*	*			trans	164	112.9	134.8	-86	157	0	0	0	106.3
112	K	28.2	Very low	29.6	Very low	181 Å²	181	166.5 Å²	166.5	79%	0.787	80%	0.797	S	S	*	*				57.4	136.7	88.7	-85.4	-170.7	172.8	-161.3	0	113.2
113	T	28.9	Very low	30	Very low	92 Å²	92	169 Å²	169	56%	0.564	80%	0.8	S	S	*	*			cis	-159.7	160.7	22.5	-2.6	0	0	0	0	111.7
114	E	30.2	Very low	30.3	Very low	166 Å²	166	173.7 Å²	173.7	78%	0.776	81%	0.812	S	S	*	*			trans	46.9	156.7	141	-70.2	139.9	-155.4	0	0	120.8
115	E	30	Very low	30.9	Very low	179 Å²	179	175.1 Å²	175.1	84%	0.836	82%	0.818	S	S	*	*			cis	-131.8	139.9	25.4	-70.7	168.4	158.2	0	0	110.8
116	E	30.3	Very low	31.8	Very low	177 Å²	177	174.7 Å²	174.7	83%	0.827	82%	0.821	S	S	*	*				78.8	116.8	82.6	-60.4	-148.3	138.7	0	0	117.7
117	E	29.8	Very low	32.8	Very low	196 Å²	196	173.4 Å²	173.4	92%	0.916	82%	0.818	S	S	*	*				163.3	159.6	125.4	-93.8	-159.6	170.1	0	0	110
118	D	30.2	Very low	34.2	Very low	115 Å²	115	169.8 Å²	169.8	62%	0.615	82%	0.815	S	S	*	*				-150	139.5	-68.9	-170.8	16	0	0	0	106	K120	D118-K120 IonicContact OD1-NZ 3.16Å; D118-K120 PolarHBondContact OD1-NZ 3.2Å; D118-K120 IonicContact OD2-NZ 2.81Å; D118-K120 PolarHBondContact OD2-NZ 2.79Å; D118-K120 VanDerWaalsContact OD2-NZ 3.16Å
119	D	30.5	Very low	35.5	Very low	160 Å²	160	166.6 Å²	166.6	86%	0.856	80%	0.803	S	S	*	*			trans	-174.9	148.3	141.7	-139.6	-27.1	0	0	0	112
120	K	32.9	Very low	37.1	Very low	150 Å²	150	159.6 Å²	159.6	65%	0.652	78%	0.78	S	S	*	*			trans	-126.5	128.9	-165.2	-66.9	173	-175.6	75.4	0	113.5	D118	D118-K120 IonicContact OD1-NZ 3.16Å; D118-K120 PolarHBondContact OD1-NZ 3.2Å; D118-K120 IonicContact OD2-NZ 2.81Å; D118-K120 PolarHBondContact OD2-NZ 2.79Å; D118-K120 VanDerWaalsContact OD2-NZ 3.16Å
121	K	32.7	Very low	38.5	Very low	218 Å²	218	159.1 Å²	159.1	95%	0.948	78%	0.777	S	S	*	*			trans	-135.8	128.6	150.6	-95.1	178.5	-178	169	0	112
122	K	35	Very low	40	Very low	205 Å²	205	159.1 Å²	159.1	89%	0.891	77%	0.773	S	S	*	*			trans	-73.7	145.6	-173.6	-66.5	174.8	176.1	176.4	0	112.6
123	K	35.6	Very low	41.5	Very low	210 Å²	210	155.4 Å²	155.4	91%	0.913	76%	0.759	S	S	*	*			trans	-134	143	151.4	-85.6	-171	174.4	-178.4	0	109.4
124	E	35.6	Very low	43.2	Very low	191 Å²	191	156.1 Å²	156.1	89%	0.893	76%	0.759	S	S	*	*			trans	-81.9	161	-175	-65.7	173	139.7	0	0	112.3
125	K	39.4	Very low	45	Very low	213 Å²	213	153.2 Å²	153.2	93%	0.926	75%	0.748	S	S	*	*			trans	-82	125.2	179.7	-68.3	177.7	177.3	177.2	0	110.3
126	V	46.9	Very low	46.7	Very low	133 Å²	133	147.6 Å²	147.6	81%	0.806	73%	0.732	S	S	*	*			trans	-114.8	136.8	161.5	-176.6	0	0	0	0	107.7
127	Q	51	Low	48.6	Very low	172 Å²	172	146.1 Å²	146.1	80%	0.804	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-69.9	154.4	179.5	-65.8	173.3	2.3	0	0	110.7	L129	Q127-L129 PolarHBondContact O-N 2.9Å
128	P	55	Low	50.5	Low	126 Å²	126	143.4 Å²	143.4	82%	0.818	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-64.9	130.4	175.2	27.3	-33.7	0	0	0	110.8
129	L	56.7	Low	52.4	Low	103 Å²	103	145 Å²	145	54%	0.539	71%	0.709	S	S	.	*	P	Polyproline II helix	trans	-62	151.6	176.1	-75	83.1	0	0	0	111.2	Q127 E133	Q127-L129 PolarHBondContact O-N 2.9Å; L129-E133 HydrophobicContact CB-CB 4.32Å; L129-E133 VanDerWaalsContact CB-OE2 3.25Å; L129-E133 WeakPolarHBondContact CB-OE2 3.37Å; L129-E133 HydrophobicContact CD2-CB 4.11Å; L129-E133 WeakPolarHBondContact CG-OE2 3.4Å
130	S	62.2	Low	54	Low	59 Å²	59	139.9 Å²	139.9	41%	0.413	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-77.5	166	-176	85.9	0	0	0	0	112.5	E132 E133	S130-E132 PolarHBondContact O-N 3.08Å; S130-E133 PolarHBondContact N-OE2 3.16Å; S130-E133 PolarHBondContact O-N 3.35Å
131	L	57.5	Low	55.5	Low	139 Å²	139	139.1 Å²	139.1	73%	0.728	69%	0.688	S	S	*	*	H	α-helix	trans	-60.9	-27.9	-178.3	-153.7	90.4	0	0	0	112.9	L135	L131-L135 PolarHBondContact O-N 3.2Å
132	E	61.6	Low	57.1	Low	157 Å²	157	134.9 Å²	134.9	73%	0.734	67%	0.672	S	S	*	*	H	α-helix	trans	-71.7	-38.6	178.6	-70.3	-176.6	122.1	0	0	112.2	S130 L134 L135 A136	S130-E132 PolarHBondContact O-N 3.08Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.08Å; E132-L135 PolarHBondContact O-N 3.07Å; E132-A136 WeakPolarHBondContact O-CB 3.34Å; E132-A136 PolarHBondContact O-N 3.13Å
133	E	60.1	Low	58.4	Low	103 Å²	103	131.7 Å²	131.7	48%	0.481	66%	0.66	S	S	.	*	H	α-helix	trans	-68.6	-33.1	-179.8	-66.7	-179.8	110.5	0	0	112.3	L129 S130 K137	L129-E133 HydrophobicContact CB-CB 4.32Å; L129-E133 VanDerWaalsContact CB-OE2 3.25Å; L129-E133 WeakPolarHBondContact CB-OE2 3.37Å; L129-E133 HydrophobicContact CD2-CB 4.11Å; L129-E133 WeakPolarHBondContact CG-OE2 3.4Å; S130-E133 PolarHBondContact N-OE2 3.16Å; S130-E133 PolarHBondContact O-N 3.35Å; E133-K137 WeakPolarHBondContact O-CB 3.5Å; E133-K137 PolarHBondContact O-N 3.04Å
134	L	64.8	Low	59.6	Low	107 Å²	107	124.2 Å²	124.2	56%	0.56	64%	0.637	S	S	*	*	H	α-helix	trans	-71.2	-36.8	173.9	-77.8	170.5	0	0	0	112.7	E132 K137 K138	E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.08Å; L134-K137 PolarHBondContact O-N 3.47Å; L134-K138 PolarHBondContact O-N 3.03Å
135	L	67.1	Low	60.8	Low	105 Å²	105	122.7 Å²	122.7	55%	0.55	63%	0.63	S	S	.	*	H	α-helix	trans	-69.5	-37.5	173.3	-79.7	165.5	0	0	0	111.7	L131 E132 K138 K139	L131-L135 PolarHBondContact O-N 3.2Å; E132-L135 PolarHBondContact O-N 3.07Å; L135-K138 PolarHBondContact O-N 3.28Å; L135-K139 WeakPolarHBondContact O-CB 3.49Å; L135-K139 PolarHBondContact O-N 3.41Å
136	A	66.6	Low	62.1	Low	60 Å²	60	116.3 Å²	116.3	50%	0.496	62%	0.617	S	S	.	*	H	α-helix	trans	-62.5	-42	171.3	0	0	0	0	0	111.6	E132 K139 A140	E132-A136 WeakPolarHBondContact O-CB 3.34Å; E132-A136 PolarHBondContact O-N 3.13Å; A136-K139 PolarHBondContact O-N 3.41Å; A136-A140 WeakPolarHBondContact O-CB 3.33Å; A136-A140 PolarHBondContact O-N 3.22Å
137	K	68.5	Low	62.9	Low	147 Å²	147	117.2 Å²	117.2	64%	0.639	61%	0.61	S	S	*	*	H	α-helix	trans	-64.7	-43.2	176.2	-127	176.7	-175.9	177.2	0	112.8	E133 L134 A140 E141	E133-K137 WeakPolarHBondContact O-CB 3.5Å; E133-K137 PolarHBondContact O-N 3.04Å; L134-K137 PolarHBondContact O-N 3.47Å; K137-A140 PolarHBondContact O-N 2.85Å; K137-E141 PolarHBondContact O-N 3.04Å
138	K	71.1	Confident	63.5	Low	138 Å²	138	115.1 Å²	115.1	60%	0.6	61%	0.611	S	S	*	*	H	α-helix	trans	-64	-42.3	174.4	-98.4	-167.8	168.2	-166.4	0	112.7	L134 L135 A140 E141 E142	L134-K138 PolarHBondContact O-N 3.03Å; L135-K138 PolarHBondContact O-N 3.28Å; K138-A140 VanDerWaalsContact C-N 3.31Å; K138-A140 PolarHBondContact O-N 3.42Å; K138-E141 PolarHBondContact O-N 2.95Å; K138-E142 PolarHBondContact O-N 2.83Å
139	K	69.6	Low	64.3	Low	148 Å²	148	117.8 Å²	117.8	64%	0.643	61%	0.61	S	S	*	*	H	α-helix	trans	-62.6	-37.9	173	-86.8	-172.1	169.4	-175.3	0	112.3	L135 A136 E142 E143	L135-K139 WeakPolarHBondContact O-CB 3.49Å; L135-K139 PolarHBondContact O-N 3.41Å; A136-K139 PolarHBondContact O-N 3.41Å; K139-E142 PolarHBondContact O-N 2.75Å; K139-E143 WeakPolarHBondContact O-CB 3.2Å; K139-E143 PolarHBondContact O-N 2.95Å
140	A	63.2	Low	64.8	Low	54 Å²	54	121.5 Å²	121.5	45%	0.446	62%	0.623	S	S	.	*	H	α-helix	trans	-68.6	-32.5	175.4	0	0	0	0	0	112.8	A136 K137 K138 A144	A136-A140 WeakPolarHBondContact O-CB 3.33Å; A136-A140 PolarHBondContact O-N 3.22Å; K137-A140 PolarHBondContact O-N 2.85Å; K138-A140 VanDerWaalsContact C-N 3.31Å; K138-A140 PolarHBondContact O-N 3.42Å; A140-A144 VanDerWaalsContact O-CB 3.22Å; A140-A144 WeakPolarHBondContact O-CB 3.25Å; A140-A144 PolarHBondContact O-N 3.28Å
141	E	64.8	Low	65.2	Low	133 Å²	133	121.8 Å²	121.8	62%	0.621	62%	0.619	S	S	*	*	H	α-helix	trans	-69.1	-47	168.8	-86.1	179.7	144.4	0	0	111.7	K137 K138 E143 A144 E145	K137-E141 PolarHBondContact O-N 3.04Å; K138-E141 PolarHBondContact O-N 2.95Å; E141-E143 PolarHBondContact O-N 2.79Å; E141-A144 CarbonylContact O-C 3.52Å; E141-A144 WeakPolarHBondContact O-CA 3.32Å; E141-A144 WeakPolarHBondContact O-CB 3.44Å; E141-A144 PolarHBondContact O-N 3.02Å; E141-E145 WeakPolarHBondContact O-CG 3.41Å; E141-E145 PolarHBondContact O-N 3Å
142	E	66.1	Low	66.2	Low	129 Å²	129	117.2 Å²	117.2	60%	0.603	60%	0.598	S	S	*	*	H	α-helix	trans	-62.4	-37.7	176.2	-74.9	-180	147.4	0	0	112.3	K138 K139 A144 E145 A146	K138-E142 PolarHBondContact O-N 2.83Å; K139-E142 PolarHBondContact O-N 2.75Å; E142-A144 VanDerWaalsContact C-N 3.35Å; E142-E145 PolarHBondContact O-N 3.43Å; E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.38Å; E142-A146 PolarHBondContact O-N 3.48Å
143	E	62.9	Low	66.8	Low	138 Å²	138	118.7 Å²	118.7	65%	0.645	60%	0.597	S	S	*	*	H	α-helix	trans	-70.7	-27.5	171.8	-79.6	-166.8	134.2	0	0	113.2	K139 E141	K139-E143 WeakPolarHBondContact O-CB 3.2Å; K139-E143 PolarHBondContact O-N 2.95Å; E141-E143 PolarHBondContact O-N 2.79Å
144	A	60.3	Low	67.7	Low	53 Å²	53	117.1 Å²	117.1	44%	0.438	60%	0.602	S	S	.	*	H	α-helix	trans	-77.4	-27.1	172.9	0	0	0	0	0	112.6	A140 E141 E142	A140-A144 VanDerWaalsContact O-CB 3.22Å; A140-A144 WeakPolarHBondContact O-CB 3.25Å; A140-A144 PolarHBondContact O-N 3.28Å; E141-A144 CarbonylContact O-C 3.52Å; E141-A144 WeakPolarHBondContact O-CA 3.32Å; E141-A144 WeakPolarHBondContact O-CB 3.44Å; E141-A144 PolarHBondContact O-N 3.02Å; E142-A144 VanDerWaalsContact C-N 3.35Å
145	E	61.2	Low	68.3	Low	159 Å²	159	117 Å²	117	74%	0.743	60%	0.599	S	S	*	*	H	α-helix	trans	-82.4	-31.8	171.5	-70.6	-170	153	0	0	112.6	E141 E142 K147	E141-E145 WeakPolarHBondContact O-CG 3.41Å; E141-E145 PolarHBondContact O-N 3Å; E142-E145 PolarHBondContact O-N 3.43Å; E145-K147 PolarHBondContact O-N 2.96Å
146	A	65.9	Low	68.8	Low	79 Å²	79	118.3 Å²	118.3	65%	0.653	60%	0.596	S	S	*	*	S	Bend	trans	-66.9	-18.8	174	0	0	0	0	0	113.2	E142 P148	E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.38Å; E142-A146 PolarHBondContact O-N 3.48Å; A146-P148 WeakPolarHBondContact O-CD 3.25Å
147	K	65.3	Low	69.2	Low	153 Å²	153	120.2 Å²	120.2	67%	0.665	60%	0.595	S	S	*	*	S	Bend	trans	-83.5	114.1	171.5	-74.6	175	-176.8	171.7	0	109.8	E145 K149	E145-K147 PolarHBondContact O-N 2.96Å; K147-K149 PolarHBondContact O-N 2.73Å
148	P	62.6	Low	69.8	Low	127 Å²	127	116 Å²	116	83%	0.825	59%	0.588	S	S	*	*			trans	-64.4	111.6	-177.4	25.7	-33.8	0	0	0	110.9	A146 F150	A146-P148 WeakPolarHBondContact O-CD 3.25Å; P148-F150 PolarHBondContact O-N 3.25Å
149	K	71.3	Confident	70.2	Confident	182 Å²	182	114.9 Å²	114.9	79%	0.791	58%	0.584	S	S	*	*			trans	-67.2	126.7	174.7	-74.7	-179.3	179.4	170.3	0	110.2	K147 L151	K147-K149 PolarHBondContact O-N 2.73Å; K149-L151 PolarHBondContact O-N 2.74Å
150	F	67.4	Low	70.7	Confident	182 Å²	182	110.8 Å²	110.8	80%	0.798	58%	0.578	S	S	*	*			trans	-73.7	97.5	176	-176.5	-96.1	0	0	0	110.4	P148	P148-F150 PolarHBondContact O-N 3.25Å
151	L	72.2	Confident	71.6	Confident	65 Å²	65	112.9 Å²	112.9	34%	0.34	58%	0.581	S	S	.	*			trans	-79	133.2	168.1	-75.5	157	0	0	0	109.8	K149 E155 R156	K149-L151 PolarHBondContact O-N 2.74Å; L151-E155 HydrophobicContact CD2-CB 4.01Å; L151-R156 HydrophobicContact CB-CG 3.86Å; L151-R156 HydrophobicContact CD1-CG 4.4Å; L151-R156 PolarHBondContact O-NE 3.05Å; L151-R156 PolarHBondContact O-NH2 3.27Å
152	S	77.2	Confident	72.5	Confident	42 Å²	42	112.8 Å²	112.8	29%	0.294	58%	0.578	S	S	.	*			trans	-61.9	164.3	174.6	72.8	0	0	0	0	111.2	A154 E155 R156	S152-A154 VanDerWaalsContact C-N 3.31Å; S152-A154 PolarHBondContact O-N 3.21Å; S152-E155 WeakPolarHBondContact CB-OE2 3.37Å; S152-E155 PolarHBondContact N-OE2 2.75Å; S152-E155 PolarHBondContact O-N 2.75Å; S152-E155 VanDerWaalsContact OG-CG 3.29Å; S152-E155 WeakPolarHBondContact OG-CG 3.4Å; S152-E155 PolarHBondContact OG-N 3.2Å; S152-E155 PolarHBondContact OG-OE2 3.25Å; S152-R156 PolarHBondContact O-N 2.89Å
153	R	74.2	Confident	73.2	Confident	189 Å²	189	114.9 Å²	114.9	71%	0.713	58%	0.581	S	S	*	*	H	α-helix	trans	-60.3	-42	179.4	-177.8	175.2	173.9	171.5	-0.7	111.8	R156 E157	R153-R156 PolarHBondContact O-N 3.45Å; R153-E157 WeakPolarHBondContact CG-OE1 3.31Å; R153-E157 IonicContact CZ-OE1 4Å; R153-E157 IonicContact NE-OE1 2.7Å; R153-E157 PolarHBondContact NE-OE1 3.3Å; R153-E157 IonicContact NH2-OE1 3.04Å; R153-E157 WeakPolarHBondContact O-CB 3.35Å; R153-E157 WeakPolarHBondContact O-CG 3.31Å; R153-E157 PolarHBondContact O-N 2.77Å
154	A	79.6	Confident	74.1	Confident	69 Å²	69	117.2 Å²	117.2	57%	0.57	58%	0.583	S	S	*	*	H	α-helix	trans	-65.2	-40.4	178.2	0	0	0	0	0	112.4	S152 E157 A158	S152-A154 VanDerWaalsContact C-N 3.31Å; S152-A154 PolarHBondContact O-N 3.21Å; A154-E157 PolarHBondContact O-N 2.79Å; A154-A158 WeakPolarHBondContact O-CB 3.43Å; A154-A158 PolarHBondContact O-N 3.35Å
155	E	78.1	Confident	75.1	Confident	106 Å²	106	120.7 Å²	120.7	50%	0.495	59%	0.591	S	S	.	*	H	α-helix	trans	-68.8	-39.5	177.9	-69.1	160.4	139.3	0	0	111.9	L151 S152 A158 E159	L151-E155 HydrophobicContact CD2-CB 4.01Å; S152-E155 WeakPolarHBondContact CB-OE2 3.37Å; S152-E155 PolarHBondContact N-OE2 2.75Å; S152-E155 PolarHBondContact O-N 2.75Å; S152-E155 VanDerWaalsContact OG-CG 3.29Å; S152-E155 WeakPolarHBondContact OG-CG 3.4Å; S152-E155 PolarHBondContact OG-N 3.2Å; S152-E155 PolarHBondContact OG-OE2 3.25Å; E155-A158 PolarHBondContact O-N 3.18Å; E155-E159 WeakPolarHBondContact O-CB 3.04Å; E155-E159 PolarHBondContact O-N 3.04Å
156	R	76.3	Confident	76.1	Confident	132 Å²	132	118.1 Å²	118.1	50%	0.498	58%	0.579	S	S	.	*	H	α-helix	trans	-63.9	-39.7	172.6	-94.6	178.8	-75.5	155.7	-8.2	112.8	L151 S152 R153 A160	L151-R156 HydrophobicContact CB-CG 3.86Å; L151-R156 HydrophobicContact CD1-CG 4.4Å; L151-R156 PolarHBondContact O-NE 3.05Å; L151-R156 PolarHBondContact O-NH2 3.27Å; S152-R156 PolarHBondContact O-N 2.89Å; R153-R156 PolarHBondContact O-N 3.45Å; R156-A160 WeakPolarHBondContact O-CB 3.49Å; R156-A160 PolarHBondContact O-N 3Å
157	E	76.2	Confident	76.8	Confident	99 Å²	99	119.9 Å²	119.9	46%	0.463	57%	0.574	S	S	.	*	H	α-helix	trans	-66.6	-42	175.3	-73.8	172.4	-166.8	0	0	110.9	R153 A154 A160 I161	R153-E157 WeakPolarHBondContact CG-OE1 3.31Å; R153-E157 IonicContact CZ-OE1 4Å; R153-E157 IonicContact NE-OE1 2.7Å; R153-E157 PolarHBondContact NE-OE1 3.3Å; R153-E157 IonicContact NH2-OE1 3.04Å; R153-E157 WeakPolarHBondContact O-CB 3.35Å; R153-E157 WeakPolarHBondContact O-CG 3.31Å; R153-E157 PolarHBondContact O-N 2.77Å; A154-E157 PolarHBondContact O-N 2.79Å; E157-A160 PolarHBondContact O-N 3.37Å; E157-I161 WeakPolarHBondContact O-CB 3.38Å; E157-I161 WeakPolarHBondContact O-CD1 3.38Å; E157-I161 VanDerWaalsContact O-CG1 3.24Å; E157-I161 WeakPolarHBondContact O-CG1 3.21Å; E157-I161 PolarHBondContact O-N 3.06Å
158	A	80.7	Confident	77.6	Confident	60 Å²	60	116.3 Å²	116.3	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-43.4	175.5	0	0	0	0	0	113.3	A154 E155 I161 K162	A154-A158 WeakPolarHBondContact O-CB 3.43Å; A154-A158 PolarHBondContact O-N 3.35Å; E155-A158 PolarHBondContact O-N 3.18Å; A158-I161 PolarHBondContact O-N 2.9Å; A158-K162 WeakPolarHBondContact O-CB 2.98Å; A158-K162 PolarHBondContact O-N 2.92Å
159	E	78.8	Confident	78.5	Confident	114 Å²	114	115.3 Å²	115.3	53%	0.533	55%	0.548	S	S	.	.	H	α-helix	trans	-70	-36.7	178.2	-170.2	167.6	-147.8	0	0	111.9	E155 K162 R163	E155-E159 WeakPolarHBondContact O-CB 3.04Å; E155-E159 PolarHBondContact O-N 3.04Å; E159-K162 PolarHBondContact O-N 2.71Å; E159-R163 VanDerWaalsContact O-CB 3.31Å; E159-R163 WeakPolarHBondContact O-CB 3.27Å; E159-R163 PolarHBondContact O-N 3.41Å
160	A	80.5	Confident	78.9	Confident	61 Å²	61	112.8 Å²	112.8	50%	0.504	54%	0.539	S	S	.	.	H	α-helix	trans	-64	-40.3	171.8	0	0	0	0	0	112.4	R156 E157 R164	R156-A160 WeakPolarHBondContact O-CB 3.49Å; R156-A160 PolarHBondContact O-N 3Å; E157-A160 PolarHBondContact O-N 3.37Å; A160-R164 VanDerWaalsContact O-CB 3.31Å; A160-R164 WeakPolarHBondContact O-CB 3.42Å; A160-R164 PolarHBondContact O-N 3.45Å
161	I	82.8	Confident	79.5	Confident	99 Å²	99	113.5 Å²	113.5	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-50.9	173.7	-71.8	164.1	0	0	0	110.3	E157 A158 R163 R164 E165	E157-I161 WeakPolarHBondContact O-CB 3.38Å; E157-I161 WeakPolarHBondContact O-CD1 3.38Å; E157-I161 VanDerWaalsContact O-CG1 3.24Å; E157-I161 WeakPolarHBondContact O-CG1 3.21Å; E157-I161 PolarHBondContact O-N 3.06Å; A158-I161 PolarHBondContact O-N 2.9Å; I161-R163 VanDerWaalsContact C-N 3.31Å; I161-R163 PolarHBondContact O-N 2.8Å; I161-R164 CarbonylContact O-C 3.56Å; I161-R164 WeakPolarHBondContact O-CA 3.02Å; I161-R164 WeakPolarHBondContact O-CB 3.33Å; I161-R164 PolarHBondContact O-N 2.93Å; I161-E165 HydrophobicContact CG2-CG 4.43Å; I161-E165 WeakPolarHBondContact O-CG 3.29Å; I161-E165 PolarHBondContact O-N 3.03Å
162	K	82.8	Confident	79.9	Confident	131 Å²	131	117.3 Å²	117.3	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-58.2	-41.4	179.3	-171.4	177.1	-177.8	-179.4	0	112.5	A158 E159 R164 E165 Q166	A158-K162 WeakPolarHBondContact O-CB 2.98Å; A158-K162 PolarHBondContact O-N 2.92Å; E159-K162 PolarHBondContact O-N 2.71Å; K162-R164 VanDerWaalsContact C-N 3.34Å; K162-E165 PolarHBondContact O-N 3.1Å; K162-Q166 WeakPolarHBondContact O-CG 3.41Å; K162-Q166 PolarHBondContact O-N 2.97Å
163	R	81.9	Confident	80.1	Confident	172 Å²	172	121.2 Å²	121.2	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-67.6	-33.8	175.8	-162.9	171.8	-171	164.4	2.1	112.2	E159 I161 Q167	E159-R163 VanDerWaalsContact O-CB 3.31Å; E159-R163 WeakPolarHBondContact O-CB 3.27Å; E159-R163 PolarHBondContact O-N 3.41Å; I161-R163 VanDerWaalsContact C-N 3.31Å; I161-R163 PolarHBondContact O-N 2.8Å; R163-Q167 WeakPolarHBondContact O-CG 3.5Å; R163-Q167 PolarHBondContact O-N 2.89Å; R163-Q167 VanDerWaalsContact O-N 3.14Å
164	R	81.5	Confident	80.4	Confident	187 Å²	187	117.9 Å²	117.9	71%	0.706	56%	0.558	S	S	*	*	H	α-helix	trans	-71.7	-37.9	174.8	-164	177.9	-170.2	-179.1	3.3	112	A160 I161 K162 Q167 V168	A160-R164 VanDerWaalsContact O-CB 3.31Å; A160-R164 WeakPolarHBondContact O-CB 3.42Å; A160-R164 PolarHBondContact O-N 3.45Å; I161-R164 CarbonylContact O-C 3.56Å; I161-R164 WeakPolarHBondContact O-CA 3.02Å; I161-R164 WeakPolarHBondContact O-CB 3.33Å; I161-R164 PolarHBondContact O-N 2.93Å; K162-R164 VanDerWaalsContact C-N 3.34Å; R164-Q167 PolarHBondContact O-N 3.42Å; R164-V168 VanDerWaalsContact O-CG2 3.3Å; R164-V168 WeakPolarHBondContact O-CG2 3.23Å; R164-V168 PolarHBondContact O-N 3.32Å
165	E	81.6	Confident	80.2	Confident	126 Å²	126	120 Å²	120	59%	0.589	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-46.9	173.1	-72.5	-178.2	148.1	0	0	111.6	I161 K162 Q167 V168 E169	I161-E165 HydrophobicContact CG2-CG 4.43Å; I161-E165 WeakPolarHBondContact O-CG 3.29Å; I161-E165 PolarHBondContact O-N 3.03Å; K162-E165 PolarHBondContact O-N 3.1Å; E165-Q167 PolarHBondContact O-N 2.87Å; E165-V168 PolarHBondContact O-N 3.3Å; E165-V168 VanDerWaalsContact O-N 3.11Å; E165-E169 PolarHBondContact O-N 3.46Å
166	Q	80.6	Confident	80	Confident	106 Å²	106	119 Å²	119	50%	0.495	56%	0.556	S	S	.	*	H	α-helix	trans	-56.6	-46.9	174.9	-73.9	173.4	-18.1	0	0	112	K162 V168 E169 E170	K162-Q166 WeakPolarHBondContact O-CG 3.41Å; K162-Q166 PolarHBondContact O-N 2.97Å; Q166-V168 VanDerWaalsContact C-N 3.32Å; Q166-V168 PolarHBondContact O-N 2.95Å; Q166-E169 PolarHBondContact O-N 3.36Å; Q166-E170 PolarHBondContact O-N 2.94Å
167	Q	81.3	Confident	80.2	Confident	116 Å²	116	117.6 Å²	117.6	54%	0.542	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-35.2	175.9	-73.7	175.8	-0.9	0	0	113.1	R163 R164 E165 R171	R163-Q167 WeakPolarHBondContact O-CG 3.5Å; R163-Q167 PolarHBondContact O-N 2.89Å; R163-Q167 VanDerWaalsContact O-N 3.14Å; R164-Q167 PolarHBondContact O-N 3.42Å; E165-Q167 PolarHBondContact O-N 2.87Å; Q167-R171 WeakPolarHBondContact O-CB 3.24Å; Q167-R171 PolarHBondContact O-N 2.84Å
168	V	83.1	Confident	80.3	Confident	77 Å²	77	118.8 Å²	118.8	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-70.1	-36.3	174.8	167.8	0	0	0	0	111.4	R164 E165 Q166 K172	R164-V168 VanDerWaalsContact O-CG2 3.3Å; R164-V168 WeakPolarHBondContact O-CG2 3.23Å; R164-V168 PolarHBondContact O-N 3.32Å; E165-V168 PolarHBondContact O-N 3.3Å; E165-V168 VanDerWaalsContact O-N 3.11Å; Q166-V168 VanDerWaalsContact C-N 3.32Å; Q166-V168 PolarHBondContact O-N 2.95Å; V168-K172 PolarHBondContact O-N 3.13Å
169	E	80.5	Confident	80.1	Confident	106 Å²	106	124.3 Å²	124.3	50%	0.495	57%	0.568	S	S	.	*	H	α-helix	trans	-69.8	-44.7	177.3	-159.7	-165.1	138.3	0	0	112.2	E165 Q166 R171 K172 K173	E165-E169 PolarHBondContact O-N 3.46Å; Q166-E169 PolarHBondContact O-N 3.36Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 3.39Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 2.82Å; E169-K173 PolarHBondContact O-N 3.42Å; E169-K173 IonicContact OE1-NZ 2.91Å; E169-K173 PolarHBondContact OE1-NZ 3.27Å
170	E	80.6	Confident	80.1	Confident	129 Å²	129	125.8 Å²	125.8	60%	0.603	57%	0.573	S	S	*	*	H	α-helix	trans	-59.7	-43.3	172.7	-72.8	-173.7	150.9	0	0	111.5	Q166 K172 K173 L174	Q166-E170 PolarHBondContact O-N 2.94Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.15Å; E170-K173 PolarHBondContact O-N 2.92Å; E170-L174 PolarHBondContact O-N 3.13Å
171	R	79.8	Confident	80	Confident	197 Å²	197	128.9 Å²	128.9	74%	0.743	58%	0.575	S	S	*	*	H	α-helix	trans	-66	-32.1	177.6	-161.5	172.1	-174.4	-177.7	1.7	112.5	Q167 E169 M175	Q167-R171 WeakPolarHBondContact O-CB 3.24Å; Q167-R171 PolarHBondContact O-N 2.84Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 3.39Å; R171-M175 WeakPolarHBondContact O-CB 3.47Å; R171-M175 WeakPolarHBondContact O-CG 3.42Å; R171-M175 PolarHBondContact O-N 3.05Å; R171-M175 VanDerWaalsContact O-N 3.16Å
172	K	79.8	Confident	79.7	Confident	145 Å²	145	133.1 Å²	133.1	63%	0.63	59%	0.585	S	S	*	*	H	α-helix	trans	-67	-46.1	168.9	-85.4	-178.9	175.1	176.8	0	112.1	V168 E169 E170 L174 M175 D176	V168-K172 PolarHBondContact O-N 3.13Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 2.82Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.15Å; K172-L174 PolarHBondContact O-N 3.4Å; K172-M175 PolarHBondContact O-N 2.93Å; K172-D176 PolarHBondContact O-N 3.25Å
173	K	81.9	Confident	79.3	Confident	125 Å²	125	135.7 Å²	135.7	54%	0.543	59%	0.591	S	S	.	*	H	α-helix	trans	-58.3	-45.6	177.1	-81.3	168.9	170.7	152.3	0	111.8	E169 E170 D176 E177	E169-K173 PolarHBondContact O-N 3.42Å; E169-K173 IonicContact OE1-NZ 2.91Å; E169-K173 PolarHBondContact OE1-NZ 3.27Å; E170-K173 PolarHBondContact O-N 2.92Å; K173-D176 PolarHBondContact O-N 3.02Å; K173-E177 PolarHBondContact O-N 3.22Å
174	L	81.3	Confident	78.8	Confident	118 Å²	118	133.8 Å²	133.8	62%	0.618	59%	0.591	S	S	*	*	H	α-helix	trans	-59.2	-47	175	-102.3	155.5	0	0	0	112.5	E170 K172 D176 E177 E178	E170-L174 PolarHBondContact O-N 3.13Å; K172-L174 PolarHBondContact O-N 3.4Å; L174-D176 VanDerWaalsContact C-N 3.34Å; L174-D176 PolarHBondContact O-N 3.36Å; L174-E177 PolarHBondContact O-N 3.47Å; L174-E178 WeakPolarHBondContact O-CB 3.25Å; L174-E178 PolarHBondContact O-N 2.84Å
175	M	75.1	Confident	78.4	Confident	113 Å²	113	132.8 Å²	132.8	56%	0.557	59%	0.592	S	S	*	*	H	α-helix	trans	-62	-37.4	177.5	-73.8	-84.7	-74.7	0	0	113.1	R171 K172 R179	R171-M175 WeakPolarHBondContact O-CB 3.47Å; R171-M175 WeakPolarHBondContact O-CG 3.42Å; R171-M175 PolarHBondContact O-N 3.05Å; R171-M175 VanDerWaalsContact O-N 3.16Å; K172-M175 PolarHBondContact O-N 2.93Å; M175-R179 WeakPolarHBondContact O-CB 3.24Å; M175-R179 WeakPolarHBondContact O-CG 3.5Å; M175-R179 PolarHBondContact O-N 3.47Å
176	D	74.3	Confident	77.8	Confident	87 Å²	87	133 Å²	133	47%	0.465	59%	0.593	S	S	.	*	H	α-helix	trans	-75.9	-33.4	177.2	-91.7	-13.3	0	0	0	112.9	K172 K173 L174 K180	K172-D176 PolarHBondContact O-N 3.25Å; K173-D176 PolarHBondContact O-N 3.02Å; L174-D176 VanDerWaalsContact C-N 3.34Å; L174-D176 PolarHBondContact O-N 3.36Å; D176-K180 VanDerWaalsContact O-CG 3.32Å; D176-K180 WeakPolarHBondContact O-CG 3.17Å; D176-K180 PolarHBondContact O-N 3.4Å
177	E	79.6	Confident	77.3	Confident	102 Å²	102	132.5 Å²	132.5	48%	0.477	59%	0.593	S	S	.	*	H	α-helix	trans	-64.4	-42.3	168.3	-78.8	-155.6	178.8	0	0	112.5	K173 L174 R179 K180 K181	K173-E177 PolarHBondContact O-N 3.22Å; L174-E177 PolarHBondContact O-N 3.47Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-K180 WeakPolarHBondContact O-CB 3.42Å; E177-K180 PolarHBondContact O-N 2.9Å; E177-K180 VanDerWaalsContact O-N 3.17Å; E177-K181 WeakPolarHBondContact O-CG 3.33Å; E177-K181 PolarHBondContact O-N 3.32Å; E177-K181 IonicContact OE2-NZ 3.64Å; E177-K181 PolarHBondContact OE2-NZ 2.92Å
178	E	78.1	Confident	76.6	Confident	124 Å²	124	132.1 Å²	132.1	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-39.9	177.6	-166.1	174	-159	0	0	111	L174 K180 K181 R182	L174-E178 WeakPolarHBondContact O-CB 3.25Å; L174-E178 PolarHBondContact O-N 2.84Å; E178-K180 PolarHBondContact O-N 3.38Å; E178-K181 PolarHBondContact O-N 2.93Å; E178-R182 VanDerWaalsContact O-CB 3.29Å; E178-R182 WeakPolarHBondContact O-CB 3.25Å; E178-R182 PolarHBondContact O-N 3.31Å
179	R	76.1	Confident	75.6	Confident	176 Å²	176	130.2 Å²	130.2	66%	0.664	59%	0.59	S	S	*	*	H	α-helix	trans	-58.9	-42.4	168.9	-84.9	178.6	160.9	-174	-4.5	113.1	M175 E177 R182 R183	M175-R179 WeakPolarHBondContact O-CB 3.24Å; M175-R179 WeakPolarHBondContact O-CG 3.5Å; M175-R179 PolarHBondContact O-N 3.47Å; E177-R179 VanDerWaalsContact C-N 3.34Å; R179-R182 PolarHBondContact O-N 2.81Å; R179-R183 PolarHBondContact O-N 3.35Å
180	K	79.3	Confident	74.7	Confident	145 Å²	145	134.1 Å²	134.1	63%	0.63	60%	0.6	S	S	*	*	H	α-helix	trans	-64.8	-46	176.7	-74.1	170	-174.8	173.7	0	111.7	D176 E177 E178 R182 R183 M184	D176-K180 VanDerWaalsContact O-CG 3.32Å; D176-K180 WeakPolarHBondContact O-CG 3.17Å; D176-K180 PolarHBondContact O-N 3.4Å; E177-K180 WeakPolarHBondContact O-CB 3.42Å; E177-K180 PolarHBondContact O-N 2.9Å; E177-K180 VanDerWaalsContact O-N 3.17Å; E178-K180 PolarHBondContact O-N 3.38Å; K180-R182 VanDerWaalsContact C-N 3.35Å; K180-R182 PolarHBondContact O-N 2.95Å; K180-R183 PolarHBondContact O-N 2.91Å; K180-M184 PolarHBondContact O-N 3.43Å; K180-M184 VanDerWaalsContact O-N 3.08Å
181	K	79.3	Confident	73.6	Confident	125 Å²	125	135.7 Å²	135.7	54%	0.543	61%	0.605	S	S	.	*	H	α-helix	trans	-59.9	-44.2	175.6	-72	162.9	-178.3	155.3	0	110.9	E177 E178 M184 F185	E177-K181 WeakPolarHBondContact O-CG 3.33Å; E177-K181 PolarHBondContact O-N 3.32Å; E177-K181 IonicContact OE2-NZ 3.64Å; E177-K181 PolarHBondContact OE2-NZ 2.92Å; E178-K181 PolarHBondContact O-N 2.93Å; K181-M184 PolarHBondContact O-N 2.89Å; K181-F185 PolarHBondContact O-N 2.85Å; K181-F185 VanDerWaalsContact O-N 3.08Å
182	R	75.4	Confident	72.5	Confident	188 Å²	188	134.1 Å²	134.1	71%	0.709	61%	0.608	S	S	*	*	H	α-helix	trans	-65.5	-38	177.3	-165.5	166.5	-178.5	171.7	-0.3	113.1	E178 R179 K180 Q186	E178-R182 VanDerWaalsContact O-CB 3.29Å; E178-R182 WeakPolarHBondContact O-CB 3.25Å; E178-R182 PolarHBondContact O-N 3.31Å; R179-R182 PolarHBondContact O-N 2.81Å; K180-R182 VanDerWaalsContact C-N 3.35Å; K180-R182 PolarHBondContact O-N 2.95Å; R182-Q186 VanDerWaalsContact O-CB 3.32Å; R182-Q186 WeakPolarHBondContact O-CB 3.22Å; R182-Q186 PolarHBondContact O-N 2.99Å
183	R	74.1	Confident	71.3	Confident	186 Å²	186	134.7 Å²	134.7	70%	0.702	62%	0.617	S	S	*	*	H	α-helix	trans	-61.1	-50	171.3	-90.7	-171	175.9	-179.2	-0.1	112.3	R179 K180 F185 Q186 D187	R179-R183 PolarHBondContact O-N 3.35Å; K180-R183 PolarHBondContact O-N 2.91Å; R183-F185 VanDerWaalsContact C-N 3.31Å; R183-F185 PolarHBondContact O-N 3.14Å; R183-Q186 PolarHBondContact O-N 2.87Å; R183-Q186 VanDerWaalsContact O-N 3.1Å; R183-D187 PolarHBondContact O-N 3.48Å
184	M	72.4	Confident	69.8	Low	131 Å²	131	132.6 Å²	132.6	65%	0.645	61%	0.609	S	S	*	*	H	α-helix	trans	-61.2	-40	-179.8	-69.2	-153.2	-63.7	0	0	112.4	K180 K181 D187 I188	K180-M184 PolarHBondContact O-N 3.43Å; K180-M184 VanDerWaalsContact O-N 3.08Å; K181-M184 PolarHBondContact O-N 2.89Å; M184-D187 PolarHBondContact O-N 3.33Å; M184-I188 WeakPolarHBondContact O-CD1 3.46Å; M184-I188 VanDerWaalsContact O-CG1 3.27Å; M184-I188 WeakPolarHBondContact O-CG1 3.36Å; M184-I188 PolarHBondContact O-N 3.05Å; M184-I188 VanDerWaalsContact O-N 3.1Å
185	F	73.1	Confident	68.6	Low	167 Å²	167	131.1 Å²	131.1	73%	0.732	60%	0.602	S	S	*	*	H	α-helix	trans	-62	-42.5	173.7	-174.8	-99.1	0	0	0	112.3	K181 R183 I188 G189	K181-F185 PolarHBondContact O-N 2.85Å; K181-F185 VanDerWaalsContact O-N 3.08Å; R183-F185 VanDerWaalsContact C-N 3.31Å; R183-F185 PolarHBondContact O-N 3.14Å; F185-I188 PolarHBondContact O-N 2.99Å; F185-G189 PolarHBondContact O-N 3.26Å
186	Q	69.1	Low	67.8	Low	131 Å²	131	130.7 Å²	130.7	61%	0.612	61%	0.608	S	S	*	*	H	α-helix	trans	-70.2	-34	-179.5	-158.6	168.7	20.4	0	0	112.8	R182 R183 R190	R182-Q186 VanDerWaalsContact O-CB 3.32Å; R182-Q186 WeakPolarHBondContact O-CB 3.22Å; R182-Q186 PolarHBondContact O-N 2.99Å; R183-Q186 PolarHBondContact O-N 2.87Å; R183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-R190 WeakPolarHBondContact O-CB 3.38Å; Q186-R190 PolarHBondContact O-N 3.04Å
187	D	68.4	Low	66.9	Low	94 Å²	94	132.5 Å²	132.5	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-71	-36.2	173.8	-79.6	-23.8	0	0	0	112.8	R183 M184 R190 K191	R183-D187 PolarHBondContact O-N 3.48Å; M184-D187 PolarHBondContact O-N 3.33Å; D187-R190 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact O-CG 3.34Å; D187-K191 PolarHBondContact O-N 3.42Å
188	I	67	Low	65.8	Low	109 Å²	109	133.6 Å²	133.6	56%	0.559	62%	0.618	S	S	*	*	H	α-helix	trans	-65.3	-44.7	173.2	-68.5	164.9	0	0	0	110.1	M184 F185 K191 M192	M184-I188 WeakPolarHBondContact O-CD1 3.46Å; M184-I188 VanDerWaalsContact O-CG1 3.27Å; M184-I188 WeakPolarHBondContact O-CG1 3.36Å; M184-I188 PolarHBondContact O-N 3.05Å; M184-I188 VanDerWaalsContact O-N 3.1Å; F185-I188 PolarHBondContact O-N 2.99Å; I188-K191 PolarHBondContact O-N 2.84Å; I188-M192 PolarHBondContact O-N 3.38Å
189	G	63	Low	65	Low	36 Å²	36	134.8 Å²	134.8	37%	0.371	62%	0.617	S	S	.	*	H	α-helix	trans	-61.6	-43.3	174.1	0	0	0	0	0	113	F185 K191 M192 L193	F185-G189 PolarHBondContact O-N 3.26Å; G189-K191 VanDerWaalsContact C-N 3.33Å; G189-K191 PolarHBondContact O-N 3.05Å; G189-M192 PolarHBondContact O-N 3.15Å; G189-M192 VanDerWaalsContact O-N 3.13Å; G189-L193 PolarHBondContact O-N 2.91Å
190	R	61.5	Low	64	Low	189 Å²	189	132.5 Å²	132.5	71%	0.713	61%	0.614	S	S	*	*	H	α-helix	trans	-60.3	-39.8	176.3	-179.3	-179	-88.4	-109.8	2.3	112.1	Q186 D187 M192 L193 E194	Q186-R190 WeakPolarHBondContact O-CB 3.38Å; Q186-R190 PolarHBondContact O-N 3.04Å; D187-R190 PolarHBondContact O-N 3.36Å; R190-M192 VanDerWaalsContact C-N 3.31Å; R190-M192 PolarHBondContact O-N 2.81Å; R190-L193 PolarHBondContact O-N 3.32Å; R190-E194 PolarHBondContact O-N 3.25Å
191	K	57.6	Low	63.3	Low	162 Å²	162	134.5 Å²	134.5	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-70.2	-20.9	175.5	-77.7	180	176.8	177.9	0	114.6	D187 I188 G189	D187-K191 WeakPolarHBondContact O-CG 3.34Å; D187-K191 PolarHBondContact O-N 3.42Å; I188-K191 PolarHBondContact O-N 2.84Å; G189-K191 VanDerWaalsContact C-N 3.33Å; G189-K191 PolarHBondContact O-N 3.05Å
192	M	56.5	Low	62.6	Low	164 Å²	164	135.3 Å²	135.3	81%	0.808	62%	0.617	S	S	*	*	H	α-helix	trans	-88.6	-14.7	173.7	-73.9	-161.2	172.1	0	0	113.8	I188 G189 R190	I188-M192 PolarHBondContact O-N 3.38Å; G189-M192 PolarHBondContact O-N 3.15Å; G189-M192 VanDerWaalsContact O-N 3.13Å; R190-M192 VanDerWaalsContact C-N 3.31Å; R190-M192 PolarHBondContact O-N 2.81Å
193	L	53.6	Low	62	Low	156 Å²	156	131.1 Å²	131.1	82%	0.817	61%	0.606	S	S	*	*	S	Bend	trans	-100.8	4	175.5	-103.3	83.8	0	0	0	114	G189 R190 D195	G189-L193 PolarHBondContact O-N 2.91Å; R190-L193 PolarHBondContact O-N 3.32Å; L193-D195 PolarHBondContact O-N 2.86Å
194	E	50.2	Low	61.3	Low	82 Å²	82	130.6 Å²	130.6	38%	0.383	60%	0.604	S	S	.	*			trans	-67.2	123.1	-179.1	-152.7	167.4	-133.9	0	0	110	R190	R190-E194 PolarHBondContact O-N 3.25Å
195	D	56.5	Low	60.9	Low	87 Å²	87	132.8 Å²	132.8	47%	0.465	61%	0.605	S	S	.	*			trans	-57.7	131.7	-174.8	-173	-38.6	0	0	0	110.2	L193 Q197 E198 R199	L193-D195 PolarHBondContact O-N 2.86Å; D195-Q197 PolarHBondContact O-N 2.83Å; D195-Q197 PolarHBondContact OD1-N 2.91Å; D195-E198 HydrophobicContact CB-CB 4.28Å; D195-E198 PolarHBondContact O-N 3.21Å; D195-R199 PolarHBondContact O-N 3.25Å
196	P	58.3	Low	60.3	Low	104 Å²	104	128.1 Å²	128.1	68%	0.675	59%	0.586	S	S	*	*	H	α-helix	trans	-48	-34.6	176.1	-30.2	35.8	0	0	0	114.2	E200	P196-E200 VanDerWaalsContact O-CB 3.27Å; P196-E200 WeakPolarHBondContact O-CB 3.29Å; P196-E200 PolarHBondContact O-N 2.96Å
197	Q	55	Low	59.8	Low	125 Å²	125	129.2 Å²	129.2	58%	0.584	58%	0.584	S	S	*	*	H	α-helix	trans	-72.4	-31.1	177.2	-65.2	-168.8	-0.2	0	0	113.6	D195 R201	D195-Q197 PolarHBondContact O-N 2.83Å; D195-Q197 PolarHBondContact OD1-N 2.91Å; Q197-R201 WeakPolarHBondContact O-CB 3.47Å; Q197-R201 VanDerWaalsContact O-CG 3.23Å; Q197-R201 WeakPolarHBondContact O-CG 3.23Å; Q197-R201 PolarHBondContact O-N 2.99Å
198	E	56.6	Low	59.2	Low	125 Å²	125	130 Å²	130	58%	0.584	59%	0.586	S	S	*	*	H	α-helix	trans	-78.1	-38.2	178.2	-167.5	159.8	-139.6	0	0	110.7	D195 R201 R202	D195-E198 HydrophobicContact CB-CB 4.28Å; D195-E198 PolarHBondContact O-N 3.21Å; E198-R201 PolarHBondContact O-N 3.14Å; E198-R202 WeakPolarHBondContact O-CB 3.41Å; E198-R202 PolarHBondContact O-N 2.74Å
199	R	60.9	Low	58.7	Low	148 Å²	148	130.9 Å²	130.9	56%	0.558	59%	0.588	S	S	*	*	H	α-helix	trans	-60.2	-47.6	167.8	-177.6	175.2	173.7	172.3	-0.3	112	D195 R201 R202 E203	D195-R199 PolarHBondContact O-N 3.25Å; R199-R201 PolarHBondContact O-N 3.13Å; R199-R202 PolarHBondContact O-N 2.91Å; R199-E203 HydrophobicContact CG-CG 4.46Å; R199-E203 WeakPolarHBondContact CG-OE1 3.36Å; R199-E203 IonicContact CZ-OE1 3.85Å; R199-E203 IonicContact NE-OE1 2.81Å; R199-E203 PolarHBondContact NE-OE1 3.48Å; R199-E203 IonicContact NH2-OE1 2.87Å; R199-E203 PolarHBondContact NH2-OE1 2.84Å; R199-E203 WeakPolarHBondContact O-CB 3.42Å; R199-E203 WeakPolarHBondContact O-CG 3.38Å; R199-E203 PolarHBondContact O-N 2.83Å
200	E	56.6	Low	58.3	Low	129 Å²	129	136.6 Å²	136.6	60%	0.603	60%	0.598	S	S	*	*	H	α-helix	trans	-62.7	-41.2	176.4	-173.9	-179.7	-162.1	0	0	111.6	P196 R202 E203 R204	P196-E200 VanDerWaalsContact O-CB 3.27Å; P196-E200 WeakPolarHBondContact O-CB 3.29Å; P196-E200 PolarHBondContact O-N 2.96Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 3.47Å; E200-E203 PolarHBondContact O-N 3.41Å; E200-R204 WeakPolarHBondContact O-CB 3.36Å; E200-R204 PolarHBondContact O-N 3.37Å
201	R	63.2	Low	57.9	Low	186 Å²	186	133.1 Å²	133.1	70%	0.702	59%	0.59	S	S	*	*	H	α-helix	trans	-60.9	-40.7	173.6	-81.6	175.2	-179.1	-164.3	2.6	112.5	Q197 E198 R199 R205	Q197-R201 WeakPolarHBondContact O-CB 3.47Å; Q197-R201 VanDerWaalsContact O-CG 3.23Å; Q197-R201 WeakPolarHBondContact O-CG 3.23Å; Q197-R201 PolarHBondContact O-N 2.99Å; E198-R201 PolarHBondContact O-N 3.14Å; R199-R201 PolarHBondContact O-N 3.13Å; R201-R205 WeakPolarHBondContact O-CB 3.39Å; R201-R205 PolarHBondContact O-N 2.67Å
202	R	66.3	Low	57.6	Low	142 Å²	142	132.5 Å²	132.5	54%	0.536	59%	0.594	S	S	.	*	H	α-helix	trans	-67.1	-51.4	176.9	-178.6	-178.9	176.3	157.4	6.2	111.4	E198 R199 E200 R204 R205 E206	E198-R202 WeakPolarHBondContact O-CB 3.41Å; E198-R202 PolarHBondContact O-N 2.74Å; R199-R202 PolarHBondContact O-N 2.91Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 3.47Å; R202-R204 PolarHBondContact O-N 2.97Å; R202-R205 PolarHBondContact O-N 2.78Å; R202-E206 WeakPolarHBondContact CG-OE1 3.48Å; R202-E206 IonicContact CZ-OE1 3.64Å; R202-E206 IonicContact NE-OE1 3.01Å; R202-E206 PolarHBondContact NE-OE1 3.28Å; R202-E206 IonicContact NH2-OE1 2.72Å; R202-E206 WeakPolarHBondContact O-CG 3.47Å; R202-E206 PolarHBondContact O-N 3.37Å
203	E	61.8	Low	57.5	Low	101 Å²	101	130 Å²	130	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-59.1	-35.6	176.7	-71	178.4	-168.2	0	0	111.1	R199 E200 R207	R199-E203 HydrophobicContact CG-CG 4.46Å; R199-E203 WeakPolarHBondContact CG-OE1 3.36Å; R199-E203 IonicContact CZ-OE1 3.85Å; R199-E203 IonicContact NE-OE1 2.81Å; R199-E203 PolarHBondContact NE-OE1 3.48Å; R199-E203 IonicContact NH2-OE1 2.87Å; R199-E203 PolarHBondContact NH2-OE1 2.84Å; R199-E203 WeakPolarHBondContact O-CB 3.42Å; R199-E203 WeakPolarHBondContact O-CG 3.38Å; R199-E203 PolarHBondContact O-N 2.83Å; E200-E203 PolarHBondContact O-N 3.41Å; E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 3.03Å
204	R	59.3	Low	57.4	Low	175 Å²	175	126.3 Å²	126.3	66%	0.66	58%	0.584	S	S	*	*	H	α-helix	trans	-71.2	-33.4	174.2	-166.8	176.3	-168.5	-161.8	3.5	113.6	E200 R202 M208	E200-R204 WeakPolarHBondContact O-CB 3.36Å; E200-R204 PolarHBondContact O-N 3.37Å; R202-R204 PolarHBondContact O-N 2.97Å; R204-M208 PolarHBondContact O-N 3.34Å
205	R	64.8	Low	57.4	Low	176 Å²	176	129.1 Å²	129.1	66%	0.664	60%	0.602	S	S	*	*	H	α-helix	trans	-72	-46.8	175	-163.2	176.8	-170	170.1	4.3	111	R201 R202 R207 M208 E209	R201-R205 WeakPolarHBondContact O-CB 3.39Å; R201-R205 PolarHBondContact O-N 2.67Å; R202-R205 PolarHBondContact O-N 2.78Å; R205-R207 PolarHBondContact O-N 2.66Å; R205-M208 PolarHBondContact O-N 2.69Å; R205-E209 WeakPolarHBondContact O-CG 3.47Å; R205-E209 PolarHBondContact O-N 2.82Å
206	E	59.2	Low	57.2	Low	70 Å²	70	129 Å²	129	33%	0.327	60%	0.601	S	S	.	*	H	α-helix	trans	-63.2	-28.7	172.8	-67.4	-179.4	-161.6	0	0	112	R202 R210	R202-E206 WeakPolarHBondContact CG-OE1 3.48Å; R202-E206 IonicContact CZ-OE1 3.64Å; R202-E206 IonicContact NE-OE1 3.01Å; R202-E206 PolarHBondContact NE-OE1 3.28Å; R202-E206 IonicContact NH2-OE1 2.72Å; R202-E206 WeakPolarHBondContact O-CG 3.47Å; R202-E206 PolarHBondContact O-N 3.37Å; E206-R210 WeakPolarHBondContact O-CG 3.45Å; E206-R210 PolarHBondContact O-N 2.86Å; E206-R210 IonicContact OE2-NH2 2.76Å
207	R	60.4	Low	56.9	Low	153 Å²	153	132 Å²	132	58%	0.577	61%	0.606	S	S	*	*	H	α-helix	trans	-72	-47.7	171	178.9	-172.5	-103	-101.5	9.1	112.4	E203 R205 E209 R210 E211	E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 3.03Å; R205-R207 PolarHBondContact O-N 2.66Å; R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 PolarHBondContact O-N 2.79Å; R207-R210 PolarHBondContact O-N 3.25Å; R207-E211 VanDerWaalsContact CD-OE1 3.29Å; R207-E211 WeakPolarHBondContact CD-OE1 3.39Å; R207-E211 HydrophobicContact CG-CG 4.24Å; R207-E211 WeakPolarHBondContact CG-OE1 3.25Å; R207-E211 IonicContact CZ-OE1 2.76Å; R207-E211 IonicContact NE-OE1 3.84Å; R207-E211 IonicContact NH1-OE1 3.77Å; R207-E211 PolarHBondContact NH1-OE1 3.1Å; R207-E211 WeakPolarHBondContact O-CG 3.45Å; R207-E211 PolarHBondContact O-N 3.3Å
208	M	54	Low	56.8	Low	110 Å²	110	131.7 Å²	131.7	54%	0.542	61%	0.608	S	S	.	*	H	α-helix	trans	-63.7	-33.1	176.9	-76.2	-163.7	-61	0	0	112.6	R204 R205 R210 E211 N212	R204-M208 PolarHBondContact O-N 3.34Å; R205-M208 PolarHBondContact O-N 2.69Å; M208-R210 VanDerWaalsContact C-N 3.26Å; M208-R210 PolarHBondContact O-N 3Å; M208-E211 PolarHBondContact O-N 3.29Å; M208-N212 PolarHBondContact O-N 2.85Å
209	E	56.9	Low	56.8	Low	128 Å²	128	129.1 Å²	129.1	60%	0.598	60%	0.599	S	S	*	*	H	α-helix	trans	-67.8	-24.2	173.1	-74.7	174.1	-173.7	0	0	113.1	R205 R207	R205-E209 WeakPolarHBondContact O-CG 3.47Å; R205-E209 PolarHBondContact O-N 2.82Å; R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 PolarHBondContact O-N 2.79Å
210	R	55.7	Low	56.8	Low	157 Å²	157	123.8 Å²	123.8	59%	0.592	59%	0.589	S	S	*	*	H	α-helix	trans	-84.2	-43	171.1	-68	171.1	-164.1	171.1	10.5	112.2	E206 R207 M208 N212 N213	E206-R210 WeakPolarHBondContact O-CG 3.45Å; E206-R210 PolarHBondContact O-N 2.86Å; E206-R210 IonicContact OE2-NH2 2.76Å; R207-R210 PolarHBondContact O-N 3.25Å; M208-R210 VanDerWaalsContact C-N 3.26Å; M208-R210 PolarHBondContact O-N 3Å; R210-N212 PolarHBondContact O-N 2.84Å; R210-N213 PolarHBondContact O-N 2.84Å
211	E	52.4	Low	56.9	Low	115 Å²	115	125.2 Å²	125.2	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-62.5	-24	-179.7	-73.5	170.2	179.5	0	0	112.8	R207 M208 N213	R207-E211 VanDerWaalsContact CD-OE1 3.29Å; R207-E211 WeakPolarHBondContact CD-OE1 3.39Å; R207-E211 HydrophobicContact CG-CG 4.24Å; R207-E211 WeakPolarHBondContact CG-OE1 3.25Å; R207-E211 IonicContact CZ-OE1 2.76Å; R207-E211 IonicContact NE-OE1 3.84Å; R207-E211 IonicContact NH1-OE1 3.77Å; R207-E211 PolarHBondContact NH1-OE1 3.1Å; R207-E211 WeakPolarHBondContact O-CG 3.45Å; R207-E211 PolarHBondContact O-N 3.3Å; M208-E211 PolarHBondContact O-N 3.29Å; E211-N213 VanDerWaalsContact C-N 3.34Å
212	N	52	Low	56.9	Low	149 Å²	149	121.7 Å²	121.7	80%	0.797	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-11.8	174.4	-113.2	-2.7	0	0	0	114.7	M208 R210	M208-N212 PolarHBondContact O-N 2.85Å; R210-N212 PolarHBondContact O-N 2.84Å
213	N	52.9	Low	57.1	Low	113 Å²	113	120 Å²	120	60%	0.604	58%	0.578	S	S	*	*	S	Bend	trans	-96.5	87.8	171.6	-86.1	-23.8	0	0	0	109.6	R210 E211 N215	R210-N213 PolarHBondContact O-N 2.84Å; E211-N213 VanDerWaalsContact C-N 3.34Å; N213-N215 PolarHBondContact O-N 3.43Å
214	G	51.6	Low	57.4	Low	78 Å²	78	121 Å²	121	80%	0.804	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	49.1	-173.7	0	0	0	0	0	117
215	N	52	Low	57.9	Low	141 Å²	141	121.3 Å²	121.3	75%	0.754	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	-7.4	172.2	-98.6	-17.4	0	0	0	113.7	N213 E217	N213-N215 PolarHBondContact O-N 3.43Å; N215-E217 PolarHBondContact O-N 3.29Å
216	D	51.9	Low	58.4	Low	85 Å²	85	116.9 Å²	116.9	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-79.5	-14.3	-167.7	-79.9	0.5	0	0	0	115.3	D218 G220	D216-D218 VanDerWaalsContact C-N 3.34Å; D216-D218 PolarHBondContact O-N 2.93Å; D216-G220 PolarHBondContact O-N 3.22Å
217	E	51.9	Low	59.4	Low	167 Å²	167	119.7 Å²	119.7	78%	0.78	59%	0.586	S	S	*	*	H	α-helix	trans	-65	-36	179.2	-70.2	-156.8	151.9	0	0	113.1	N215 R221	N215-E217 PolarHBondContact O-N 3.29Å; E217-R221 WeakPolarHBondContact O-CG 3.5Å; E217-R221 PolarHBondContact O-N 3.2Å
218	D	52.2	Low	60.5	Low	117 Å²	117	119.1 Å²	119.1	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-80.8	-40.1	-178	-136.2	13.2	0	0	0	111	D216 G220 R221 Q222	D216-D218 VanDerWaalsContact C-N 3.34Å; D216-D218 PolarHBondContact O-N 2.93Å; D218-G220 VanDerWaalsContact C-N 3.31Å; D218-G220 PolarHBondContact O-N 3.47Å; D218-R221 PolarHBondContact O-N 3.07Å; D218-Q222 WeakPolarHBondContact O-CB 3.16Å; D218-Q222 PolarHBondContact O-N 3Å
219	D	57.1	Low	62	Low	72 Å²	72	115.1 Å²	115.1	39%	0.385	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-33.8	175.3	-164.3	43.6	0	0	0	111.7	K223	D219-K223 WeakPolarHBondContact O-CD 3.12Å; D219-K223 WeakPolarHBondContact O-CG 3.44Å; D219-K223 PolarHBondContact O-N 2.87Å; D219-K223 VanDerWaalsContact O-N 3.13Å; D219-K223 IonicContact OD1-NZ 3.35Å; D219-K223 VanDerWaalsContact OD2-CE 3.25Å; D219-K223 WeakPolarHBondContact OD2-CE 3.45Å; D219-K223 IonicContact OD2-NZ 2.78Å; D219-K223 PolarHBondContact OD2-NZ 3.43Å
220	G	60.3	Low	63.4	Low	35 Å²	35	113.8 Å²	113.8	36%	0.361	56%	0.561	S	S	.	*	H	α-helix	trans	-64.5	-45.2	169.5	0	0	0	0	0	113.1	D216 D218 Q222 L224	D216-G220 PolarHBondContact O-N 3.22Å; D218-G220 VanDerWaalsContact C-N 3.31Å; D218-G220 PolarHBondContact O-N 3.47Å; G220-Q222 VanDerWaalsContact C-N 3.34Å; G220-L224 PolarHBondContact O-N 3.16Å
221	R	58.3	Low	64.9	Low	160 Å²	160	110 Å²	110	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-64.8	-36.7	175	-78.6	175.7	175.6	-178.1	2.9	112.5	E217 D218 L224 R225	E217-R221 WeakPolarHBondContact O-CG 3.5Å; E217-R221 PolarHBondContact O-N 3.2Å; D218-R221 PolarHBondContact O-N 3.07Å; R221-L224 PolarHBondContact O-N 3.48Å; R221-R225 WeakPolarHBondContact O-CG 3.46Å; R221-R225 PolarHBondContact O-N 3.3Å
222	Q	63.1	Low	66.5	Low	112 Å²	112	107.7 Å²	107.7	52%	0.523	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-46	179.9	-171.8	155.9	-8.9	0	0	111.3	D218 G220 L224 R225 E226	D218-Q222 WeakPolarHBondContact O-CB 3.16Å; D218-Q222 PolarHBondContact O-N 3Å; G220-Q222 VanDerWaalsContact C-N 3.34Å; Q222-L224 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.39Å; Q222-R225 WeakPolarHBondContact O-CB 3.11Å; Q222-R225 PolarHBondContact O-N 3.25Å; Q222-E226 PolarHBondContact O-N 3.42Å
223	K	71.1	Confident	68.2	Low	107 Å²	107	104.9 Å²	104.9	47%	0.465	53%	0.529	S	S	.	.	H	α-helix	trans	-58.4	-43.8	173.1	-70.3	163.5	-166.3	161.6	0	112.3	D219 R225 E226 E227	D219-K223 WeakPolarHBondContact O-CD 3.12Å; D219-K223 WeakPolarHBondContact O-CG 3.44Å; D219-K223 PolarHBondContact O-N 2.87Å; D219-K223 VanDerWaalsContact O-N 3.13Å; D219-K223 IonicContact OD1-NZ 3.35Å; D219-K223 VanDerWaalsContact OD2-CE 3.25Å; D219-K223 WeakPolarHBondContact OD2-CE 3.45Å; D219-K223 IonicContact OD2-NZ 2.78Å; D219-K223 PolarHBondContact OD2-NZ 3.43Å; K223-R225 VanDerWaalsContact C-N 3.33Å; K223-R225 PolarHBondContact O-N 2.9Å; K223-E226 PolarHBondContact O-N 2.77Å; K223-E227 WeakPolarHBondContact O-CG 3.33Å; K223-E227 PolarHBondContact O-N 2.99Å
224	L	68.8	Low	69.8	Low	122 Å²	122	104.1 Å²	104.1	64%	0.639	53%	0.525	S	S	*	.	H	α-helix	trans	-62.9	-35.4	176.7	-117.1	152.6	0	0	0	113.2	G220 R221 Q222 K228	G220-L224 PolarHBondContact O-N 3.16Å; R221-L224 PolarHBondContact O-N 3.48Å; Q222-L224 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.39Å; L224-K228 WeakPolarHBondContact O-CB 3.32Å; L224-K228 PolarHBondContact O-N 2.59Å; L224-K228 VanDerWaalsContact O-N 3.17Å
225	R	68.6	Low	71.4	Confident	180 Å²	180	106.5 Å²	106.5	68%	0.679	51%	0.514	S	S	*	.	H	α-helix	trans	-67.6	-48.2	172.4	-75.8	173.7	174.5	-173.3	-0.7	111.1	R221 Q222 K223 E227 K228 D229	R221-R225 WeakPolarHBondContact O-CG 3.46Å; R221-R225 PolarHBondContact O-N 3.3Å; Q222-R225 WeakPolarHBondContact O-CB 3.11Å; Q222-R225 PolarHBondContact O-N 3.25Å; K223-R225 VanDerWaalsContact C-N 3.33Å; K223-R225 PolarHBondContact O-N 2.9Å; R225-E227 VanDerWaalsContact C-N 3.34Å; R225-E227 PolarHBondContact O-N 3.29Å; R225-K228 WeakPolarHBondContact O-CB 3.46Å; R225-K228 PolarHBondContact O-N 3.45Å; R225-K228 VanDerWaalsContact O-N 3.17Å; R225-D229 WeakPolarHBondContact O-CB 3.44Å; R225-D229 PolarHBondContact O-N 3.37Å
226	E	75.4	Confident	73	Confident	83 Å²	83	101.3 Å²	101.3	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-40.6	177.7	-72.9	-174.1	-157.1	0	0	113.1	Q222 K223 D229 K230	Q222-E226 PolarHBondContact O-N 3.42Å; K223-E226 PolarHBondContact O-N 2.77Å; E226-D229 PolarHBondContact O-N 2.94Å; E226-K230 WeakPolarHBondContact O-CB 3.15Å; E226-K230 VanDerWaalsContact O-CD 3.31Å; E226-K230 WeakPolarHBondContact O-CD 3.35Å; E226-K230 WeakPolarHBondContact O-CG 3.32Å; E226-K230 PolarHBondContact O-N 2.96Å; E226-K230 IonicContact OE2-NZ 3.6Å; E226-K230 PolarHBondContact OE2-NZ 2.81Å
227	E	81.1	Confident	74.7	Confident	129 Å²	129	101 Å²	101	60%	0.603	49%	0.488	S	S	*	.	H	α-helix	trans	-64.2	-41.6	175.1	-74.8	-178	168.8	0	0	112	K223 R225 D229 S231	K223-E227 WeakPolarHBondContact O-CG 3.33Å; K223-E227 PolarHBondContact O-N 2.99Å; R225-E227 VanDerWaalsContact C-N 3.34Å; R225-E227 PolarHBondContact O-N 3.29Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.27Å; E227-S231 VanDerWaalsContact O-CB 3.24Å; E227-S231 WeakPolarHBondContact O-CB 3.3Å; E227-S231 PolarHBondContact O-N 2.93Å
228	K	82.6	Confident	76.3	Confident	142 Å²	142	98.7 Å²	98.7	62%	0.617	48%	0.476	S	S	*	.	H	α-helix	trans	-62.8	-37.4	174.8	-173.1	175.6	-177.1	176.5	0	111.9	L224 R225 K232	L224-K228 WeakPolarHBondContact O-CB 3.32Å; L224-K228 PolarHBondContact O-N 2.59Å; L224-K228 VanDerWaalsContact O-N 3.17Å; R225-K228 WeakPolarHBondContact O-CB 3.46Å; R225-K228 PolarHBondContact O-N 3.45Å; R225-K228 VanDerWaalsContact O-N 3.17Å; K228-K232 WeakPolarHBondContact O-CG 3.24Å; K228-K232 PolarHBondContact O-N 3.05Å
229	D	85.3	Confident	77.8	Confident	25 Å²	25	97.5 Å²	97.5	13%	0.134	47%	0.467	C	S	.	.	H	α-helix	trans	-72.3	-47	177.9	-67.8	-30.6	0	0	0	112.1	R225 E226 E227 S231 K232 E233 K278	R225-D229 WeakPolarHBondContact O-CB 3.44Å; R225-D229 PolarHBondContact O-N 3.37Å; E226-D229 PolarHBondContact O-N 2.94Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.27Å; D229-S231 PolarHBondContact O-N 3.44Å; D229-K232 CarbonylContact O-C 3.6Å; D229-K232 WeakPolarHBondContact O-CB 3.49Å; D229-K232 PolarHBondContact O-N 3.01Å; D229-K232 VanDerWaalsContact O-N 3.1Å; D229-E233 WeakPolarHBondContact O-CB 3.29Å; D229-E233 PolarHBondContact O-N 3.25Å; D229-K278 IonicContact OD1-NZ 2.74Å; D229-K278 PolarHBondContact OD1-NZ 2.84Å; D229-K278 IonicContact OD2-NZ 3.44Å; D229-K278 PolarHBondContact OD2-NZ 3.08Å
230	K	87.1	Confident	79.1	Confident	101 Å²	101	103.5 Å²	103.5	44%	0.439	48%	0.484	S	S	.	.	H	α-helix	trans	-57.6	-38.2	172.7	-69	159.2	-166.4	163.1	0	111.2	E226 L234	E226-K230 WeakPolarHBondContact O-CB 3.15Å; E226-K230 VanDerWaalsContact O-CD 3.31Å; E226-K230 WeakPolarHBondContact O-CD 3.35Å; E226-K230 WeakPolarHBondContact O-CG 3.32Å; E226-K230 PolarHBondContact O-N 2.96Å; E226-K230 IonicContact OE2-NZ 3.6Å; E226-K230 PolarHBondContact OE2-NZ 2.81Å; K230-L234 WeakPolarHBondContact O-CB 3.14Å; K230-L234 WeakPolarHBondContact O-CD1 3.46Å; K230-L234 VanDerWaalsContact O-CG 3.31Å; K230-L234 WeakPolarHBondContact O-CG 2.96Å; K230-L234 PolarHBondContact O-N 3.31Å
231	S	87.7	Confident	80	Confident	77 Å²	77	109.6 Å²	109.6	54%	0.538	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-44.7	174.2	-174.5	0	0	0	0	112.4	E227 D229 L234 H235	E227-S231 VanDerWaalsContact O-CB 3.24Å; E227-S231 WeakPolarHBondContact O-CB 3.3Å; E227-S231 PolarHBondContact O-N 2.93Å; D229-S231 PolarHBondContact O-N 3.44Å; S231-L234 PolarHBondContact O-N 2.91Å; S231-H235 WeakPolarHBondContact O-CB 3.38Å; S231-H235 PolarHBondContact O-N 2.94Å
232	K	86.2	Confident	81.3	Confident	67 Å²	67	108.9 Å²	108.9	29%	0.291	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-41.3	173.7	-81.4	178.6	163.5	-162.1	0	113	K228 D229 H235 A236 V271 Y273	K228-K232 WeakPolarHBondContact O-CG 3.24Å; K228-K232 PolarHBondContact O-N 3.05Å; D229-K232 CarbonylContact O-C 3.6Å; D229-K232 WeakPolarHBondContact O-CB 3.49Å; D229-K232 PolarHBondContact O-N 3.01Å; D229-K232 VanDerWaalsContact O-N 3.1Å; K232-H235 WeakPolarHBondContact O-CB 3.43Å; K232-H235 PolarHBondContact O-N 2.77Å; K232-A236 WeakPolarHBondContact O-CB 3.35Å; K232-A236 PolarHBondContact O-N 2.89Å; K232-V271 VanDerWaalsContact NZ-CG1 3.3Å; K232-V271 PolarHBondContact NZ-O 2.85Å; K232-Y273 HydrophobicContact CB-CD1 4.3Å; K232-Y273 HydrophobicContact CB-CG 4.28Å
233	E	87.5	Confident	81.3	Confident	89 Å²	89	106.5 Å²	106.5	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-59.8	-52.2	175.9	-179.3	175.8	-159.7	0	0	110.6	D229 H235 A236 I237 Y273	D229-E233 WeakPolarHBondContact O-CB 3.29Å; D229-E233 PolarHBondContact O-N 3.25Å; E233-H235 PolarHBondContact O-N 3.16Å; E233-A236 PolarHBondContact O-N 2.66Å; E233-I237 HydrophobicContact CG-CD1 3.99Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 3.14Å; E233-Y273 HydrophobicContact CB-CD2 3.51Å; E233-Y273 HydrophobicContact CB-CE2 3.83Å; E233-Y273 HydrophobicContact CB-CG 4.17Å; E233-Y273 HydrophobicContact CG-CD2 3.91Å; E233-Y273 HydrophobicContact CG-CE2 3.77Å
234	L	87.1	Confident	81	Confident	98 Å²	98	103.1 Å²	103.1	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-59.4	-34.7	174.5	-74.2	166.2	0	0	0	112.3	K230 S231 K238	K230-L234 WeakPolarHBondContact O-CB 3.14Å; K230-L234 WeakPolarHBondContact O-CD1 3.46Å; K230-L234 VanDerWaalsContact O-CG 3.31Å; K230-L234 WeakPolarHBondContact O-CG 2.96Å; K230-L234 PolarHBondContact O-N 3.31Å; S231-L234 PolarHBondContact O-N 2.91Å; L234-K238 WeakPolarHBondContact O-CB 3.31Å; L234-K238 WeakPolarHBondContact O-CD 3.39Å; L234-K238 WeakPolarHBondContact O-CG 3.17Å; L234-K238 PolarHBondContact O-N 2.91Å
235	H	84.9	Confident	80.6	Confident	128 Å²	128	105.4 Å²	105.4	59%	0.593	52%	0.516	S	S	*	.	H	α-helix	trans	-67.6	-46.6	175.3	-169.3	73.1	0	0	0	111.9	S231 K232 E233 I237 K238 E239	S231-H235 WeakPolarHBondContact O-CB 3.38Å; S231-H235 PolarHBondContact O-N 2.94Å; K232-H235 WeakPolarHBondContact O-CB 3.43Å; K232-H235 PolarHBondContact O-N 2.77Å; E233-H235 PolarHBondContact O-N 3.16Å; H235-I237 PolarHBondContact O-N 2.87Å; H235-K238 PolarHBondContact O-N 3.01Å; H235-E239 WeakPolarHBondContact O-CB 3.48Å; H235-E239 PolarHBondContact O-N 3.06Å
236	A	85.2	Confident	80.1	Confident	32 Å²	32	105.3 Å²	105.3	26%	0.264	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-39.4	177.3	0	0	0	0	0	112.3	K232 E233 R240 Y273	K232-A236 WeakPolarHBondContact O-CB 3.35Å; K232-A236 PolarHBondContact O-N 2.89Å; E233-A236 PolarHBondContact O-N 2.66Å; A236-R240 WeakPolarHBondContact O-CB 3.39Å; A236-R240 PolarHBondContact O-N 2.62Å; A236-Y273 HydrophobicContact CB-CE1 3.91Å
237	I	87.6	Confident	79.3	Confident	77 Å²	77	111 Å²	111	40%	0.395	54%	0.544	S	S	.	.	H	α-helix	trans	-62.2	-49.3	172.6	-67.1	166.4	0	0	0	110.1	E233 H235 E239 R240 Y241	E233-I237 HydrophobicContact CG-CD1 3.99Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 3.14Å; H235-I237 PolarHBondContact O-N 2.87Å; I237-E239 PolarHBondContact O-N 3.34Å; I237-R240 PolarHBondContact O-N 2.69Å; I237-Y241 HydrophobicContact CG2-CD2 3.94Å; I237-Y241 HydrophobicContact CG2-CE2 4.22Å; I237-Y241 VanDerWaalsContact O-CD2 3.24Å; I237-Y241 WeakPolarHBondContact O-CD2 2.95Å; I237-Y241 PolarHBondContact O-N 3.3Å; I237-Y241 VanDerWaalsContact O-N 3.16Å
238	K	85.9	Confident	78.1	Confident	120 Å²	120	116.1 Å²	116.1	52%	0.522	56%	0.558	S	S	.	*	H	α-helix	trans	-59.9	-46.6	178.2	-75.6	169.4	-177.7	180	0	112	L234 H235 R240 Y241 L242	L234-K238 WeakPolarHBondContact O-CB 3.31Å; L234-K238 WeakPolarHBondContact O-CD 3.39Å; L234-K238 WeakPolarHBondContact O-CG 3.17Å; L234-K238 PolarHBondContact O-N 2.91Å; H235-K238 PolarHBondContact O-N 3.01Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 2.98Å; K238-Y241 PolarHBondContact O-N 2.8Å; K238-L242 HydrophobicContact CB-CD1 4.24Å; K238-L242 HydrophobicContact CG-CD1 4.12Å; K238-L242 WeakPolarHBondContact O-CA 3.48Å; K238-L242 VanDerWaalsContact O-CB 3.28Å; K238-L242 WeakPolarHBondContact O-CB 3.31Å; K238-L242 PolarHBondContact O-N 3.24Å
239	E	83.1	Confident	77	Confident	92 Å²	92	119.9 Å²	119.9	43%	0.43	57%	0.568	S	S	.	*	H	α-helix	trans	-60.4	-40.1	178.7	179	168.4	-157.4	0	0	112.1	H235 I237 G243 G244	H235-E239 WeakPolarHBondContact O-CB 3.48Å; H235-E239 PolarHBondContact O-N 3.06Å; I237-E239 PolarHBondContact O-N 3.34Å; E239-G243 PolarHBondContact O-N 2.81Å; E239-G244 PolarHBondContact O-N 3.1Å
240	R	83.6	Confident	75.7	Confident	197 Å²	197	130.2 Å²	130.2	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-67.2	-39.8	-179.8	-176.1	176.9	-177.1	173.7	1.3	113.8	A236 I237 K238	A236-R240 WeakPolarHBondContact O-CB 3.39Å; A236-R240 PolarHBondContact O-N 2.62Å; I237-R240 PolarHBondContact O-N 2.69Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 2.98Å
241	Y	81	Confident	74.2	Confident	164 Å²	164	131 Å²	131	64%	0.643	62%	0.619	S	S	*	*	H	α-helix	trans	-105.1	-27	-171.7	-65.2	-71	0	0	0	114.8	I237 K238	I237-Y241 HydrophobicContact CG2-CD2 3.94Å; I237-Y241 HydrophobicContact CG2-CE2 4.22Å; I237-Y241 VanDerWaalsContact O-CD2 3.24Å; I237-Y241 WeakPolarHBondContact O-CD2 2.95Å; I237-Y241 PolarHBondContact O-N 3.3Å; I237-Y241 VanDerWaalsContact O-N 3.16Å; K238-Y241 PolarHBondContact O-N 2.8Å
242	L	84.1	Confident	72.8	Confident	145 Å²	145	134.2 Å²	134.2	76%	0.759	62%	0.62	S	S	*	*	H	α-helix	trans	-99.5	-3.5	179.8	-57.5	172.2	0	0	0	113.1	K238	K238-L242 HydrophobicContact CB-CD1 4.24Å; K238-L242 HydrophobicContact CG-CD1 4.12Å; K238-L242 WeakPolarHBondContact O-CA 3.48Å; K238-L242 VanDerWaalsContact O-CB 3.28Å; K238-L242 WeakPolarHBondContact O-CB 3.31Å; K238-L242 PolarHBondContact O-N 3.24Å
243	G	64.1	Low	71.3	Confident	62 Å²	62	138.4 Å²	138.4	64%	0.639	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.7	81.6	176.8	0	0	0	0	0	113.2	E239	E239-G243 PolarHBondContact O-N 2.81Å
244	G	63.5	Low	69.7	Low	36 Å²	36	142.7 Å²	142.7	37%	0.371	67%	0.665	S	S	.	*			trans	-67.2	147	173.9	0	0	0	0	0	113.5	E239 K246	E239-G244 PolarHBondContact O-N 3.1Å; G244-K246 PolarHBondContact O-N 3.22Å
245	I	61.2	Low	68.1	Low	169 Å²	169	144.9 Å²	144.9	87%	0.867	68%	0.677	S	S	*	*			trans	-67.3	95.8	169.7	-57.5	172.6	0	0	0	108	K247	I245-K247 PolarHBondContact O-N 3.49Å
246	K	57.9	Low	66.8	Low	178 Å²	178	144.4 Å²	144.4	77%	0.774	68%	0.679	S	S	*	*			trans	-58.7	102.8	172.9	-72	-174.3	179.1	179.4	0	109.5	G244 R248	G244-K246 PolarHBondContact O-N 3.22Å; K246-R248 PolarHBondContact O-N 2.89Å
247	K	59.5	Low	65.9	Low	202 Å²	202	154.6 Å²	154.6	88%	0.878	71%	0.71	S	S	*	*			trans	-57.1	110	163	-78.6	-177.3	175.9	177.4	0	107	I245 R249	I245-K247 PolarHBondContact O-N 3.49Å; K247-R249 PolarHBondContact O-N 2.86Å; K247-R249 VanDerWaalsContact O-N 3.16Å
248	R	56	Low	65.1	Low	238 Å²	238	158.6 Å²	158.6	90%	0.898	73%	0.725	S	S	*	*			trans	-54	124.1	173.6	-78.5	-174.1	169.5	-166.1	-3	107.8	K246 R250	K246-R248 PolarHBondContact O-N 2.89Å; R248-R250 PolarHBondContact O-N 3.36Å
249	R	59.3	Low	64.5	Low	220 Å²	220	161.3 Å²	161.3	83%	0.83	74%	0.737	S	S	*	*			trans	-52.7	130.4	166	-74.8	-176.2	169.8	-170.7	-6.6	106.9	K247 T251	K247-R249 PolarHBondContact O-N 2.86Å; K247-R249 VanDerWaalsContact O-N 3.16Å; R249-T251 PolarHBondContact O-N 2.72Å
250	R	58.2	Low	64	Low	242 Å²	242	161.3 Å²	161.3	91%	0.913	74%	0.743	S	S	*	*			trans	-64.9	106.6	171.5	-79.6	-175.6	171.2	-175.3	-2.8	106.9	R248 R252	R248-R250 PolarHBondContact O-N 3.36Å; R250-R252 PolarHBondContact O-N 2.84Å; R250-R252 VanDerWaalsContact O-N 3.13Å
251	T	55.7	Low	63.7	Low	119 Å²	119	161.1 Å²	161.1	73%	0.73	75%	0.748	S	S	*	*			trans	-58.6	117.7	167.9	-42.5	0	0	0	0	106.7	R249 H253	R249-T251 PolarHBondContact O-N 2.72Å; T251-H253 PolarHBondContact O-N 2.98Å
252	R	57.3	Low	63.6	Low	144 Å²	144	160.9 Å²	160.9	54%	0.543	75%	0.753	S	S	.	*			trans	-60.7	114.7	177.4	-64.2	-176.2	-174	-173.6	0.9	107.3	R250 E267	R250-R252 PolarHBondContact O-N 2.84Å; R250-R252 VanDerWaalsContact O-N 3.13Å; R252-E267 IonicContact CZ-OE1 3.28Å; R252-E267 IonicContact NE-OE1 3.81Å; R252-E267 IonicContact NH2-OE1 2.84Å; R252-E267 PolarHBondContact NH2-OE1 3.46Å; R252-E267 IonicContact NH2-OE2 2.69Å; R252-E267 PolarHBondContact NH2-OE2 3.16Å
253	H	55.5	Low	63.4	Low	155 Å²	155	164 Å²	164	72%	0.718	75%	0.754	S	S	*	*			trans	-74.5	143.6	173.3	-79.8	-85.3	0	0	0	108.8	T251 N255 D256	T251-H253 PolarHBondContact O-N 2.98Å; H253-N255 PolarHBondContact O-N 2.92Å; H253-D256 PolarHBondContact O-N 2.99Å
254	L	52.5	Low	64.3	Low	179 Å²	179	165.5 Å²	165.5	94%	0.937	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-16.8	179.3	-161.9	68.1	0	0	0	113.5
255	N	53.6	Low	65.1	Low	144 Å²	144	168 Å²	168	77%	0.77	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	11.7	179.3	-70.3	-3.7	0	0	0	114.4	H253 R257	H253-N255 PolarHBondContact O-N 2.92Å; N255-R257 PolarHBondContact O-N 2.94Å
256	D	57.4	Low	66	Low	117 Å²	117	164.4 Å²	164.4	63%	0.626	76%	0.755	S	S	*	*			trans	-69.9	104.7	176.4	-146.6	-16.5	0	0	0	109.8	H253 K258	H253-D256 PolarHBondContact O-N 2.99Å; D256-K258 PolarHBondContact O-N 3.43Å
257	R	67.6	Low	67.1	Low	247 Å²	247	159.8 Å²	159.8	93%	0.932	74%	0.736	S	S	*	*			trans	-68.1	-1.5	-163.7	-74.1	179.2	168.4	174.5	-5.5	115.3	N255	N255-R257 PolarHBondContact O-N 2.94Å
258	K	69.5	Low	68.3	Low	160 Å²	160	154 Å²	154	70%	0.696	72%	0.715	S	S	*	*			trans	-112.2	108.3	-179.3	-173.2	-179	-179.4	-175.7	0	109.8	D256 V260	D256-K258 PolarHBondContact O-N 3.43Å; K258-V260 HydrophobicContact CD-CG2 4.21Å; K258-V260 HydrophobicContact CG-CG2 4.13Å; K258-V260 PolarHBondContact O-N 2.86Å; K258-V260 VanDerWaalsContact O-N 3.1Å
259	F	73.4	Confident	69.7	Low	178 Å²	178	148.7 Å²	148.7	78%	0.781	71%	0.709	S	S	*	*			trans	-65.1	109.4	165.9	-67.9	-80.3	0	0	0	109.1	F261	F259-F261 HydrophobicContact CB-CE2 3.9Å; F259-F261 HydrophobicContact CB-CZ 4.06Å
260	V	73.4	Confident	70.7	Confident	92 Å²	92	142.1 Å²	142.1	56%	0.558	70%	0.697	S	S	*	*			trans	-100.1	112.4	171.3	-172.8	0	0	0	0	106.8	K258 E262	K258-V260 HydrophobicContact CD-CG2 4.21Å; K258-V260 HydrophobicContact CG-CG2 4.13Å; K258-V260 PolarHBondContact O-N 2.86Å; K258-V260 VanDerWaalsContact O-N 3.1Å; V260-E262 WeakPolarHBondContact CG1-O 3.41Å
261	F	77	Confident	71.7	Confident	192 Å²	192	134.7 Å²	134.7	84%	0.842	68%	0.678	S	S	*	*			trans	-83.3	-18.5	-176	-67.6	-86.2	0	0	0	113.3	F259	F259-F261 HydrophobicContact CB-CE2 3.9Å; F259-F261 HydrophobicContact CB-CZ 4.06Å
262	E	78.6	Confident	73	Confident	160 Å²	160	131.1 Å²	131.1	75%	0.748	65%	0.654	S	S	*	*	S	Bend	trans	-97.6	152	176.1	-64.2	-171.9	153.7	0	0	111.6	V260	V260-E262 WeakPolarHBondContact CG1-O 3.41Å
263	W	81.2	Confident	74.3	Confident	209 Å²	209	128 Å²	128	79%	0.792	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-76.1	136.6	166.5	-60.7	102	0	0	0	109.3
264	D	81.5	Confident	75.8	Confident	94 Å²	94	122.8 Å²	122.8	50%	0.503	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-69.7	137.9	175.1	179.5	3.7	0	0	0	109	S266 E267	D264-S266 PolarHBondContact O-N 3.37Å; D264-S266 VanDerWaalsContact O-N 3.09Å; D264-S266 PolarHBondContact OD1-N 3.36Å; D264-S266 WeakPolarHBondContact OD2-CB 3.43Å; D264-S266 PolarHBondContact OD2-OG 2.9Å; D264-E267 HydrophobicContact CB-CG 4.26Å; D264-E267 WeakPolarHBondContact O-CA 3.33Å; D264-E267 WeakPolarHBondContact O-CB 3.47Å; D264-E267 PolarHBondContact O-N 3.39Å
265	A	80.1	Confident	77.4	Confident	89 Å²	89	118.5 Å²	118.5	74%	0.736	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-59.5	-19.2	172.8	0	0	0	0	0	112.4	E267 D268	A265-E267 PolarHBondContact O-N 2.98Å; A265-D268 WeakPolarHBondContact O-CB 3.46Å; A265-D268 PolarHBondContact O-N 3Å
266	S	80.8	Confident	79	Confident	93 Å²	93	117.5 Å²	117.5	65%	0.65	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-70	-13.4	169.9	86.4	0	0	0	0	114.5	D264	D264-S266 PolarHBondContact O-N 3.37Å; D264-S266 VanDerWaalsContact O-N 3.09Å; D264-S266 PolarHBondContact OD1-N 3.36Å; D264-S266 WeakPolarHBondContact OD2-CB 3.43Å; D264-S266 PolarHBondContact OD2-OG 2.9Å
267	E	81.3	Confident	80.3	Confident	82 Å²	82	118 Å²	118	38%	0.383	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-93.1	-3.4	175.9	-60.3	-179.3	140.7	0	0	112.7	R252 D264 A265	R252-E267 IonicContact CZ-OE1 3.28Å; R252-E267 IonicContact NE-OE1 3.81Å; R252-E267 IonicContact NH2-OE1 2.84Å; R252-E267 PolarHBondContact NH2-OE1 3.46Å; R252-E267 IonicContact NH2-OE2 2.69Å; R252-E267 PolarHBondContact NH2-OE2 3.16Å; D264-E267 HydrophobicContact CB-CG 4.26Å; D264-E267 WeakPolarHBondContact O-CA 3.33Å; D264-E267 WeakPolarHBondContact O-CB 3.47Å; D264-E267 PolarHBondContact O-N 3.39Å; A265-E267 PolarHBondContact O-N 2.98Å
268	D	84.5	Confident	81	Confident	81 Å²	81	110.8 Å²	110.8	43%	0.433	57%	0.566	S	S	.	*			trans	-63.6	132.6	170.9	-178.2	16.5	0	0	0	111.4	A265 S270 V271	A265-D268 WeakPolarHBondContact O-CB 3.46Å; A265-D268 PolarHBondContact O-N 3Å; D268-S270 VanDerWaalsContact CG-OG 3.29Å; D268-S270 VanDerWaalsContact OD1-CB 3.32Å; D268-S270 WeakPolarHBondContact OD1-CB 3.49Å; D268-S270 PolarHBondContact OD1-N 2.74Å; D268-S270 PolarHBondContact OD1-OG 3.32Å; D268-S270 PolarHBondContact OD2-OG 3.41Å; D268-V271 HydrophobicContact CB-CG2 4.41Å; D268-V271 WeakPolarHBondContact OD2-CG2 3.43Å
269	T	85	Confident	81.7	Confident	126 Å²	126	111.3 Å²	111.3	77%	0.773	57%	0.571	S	S	*	*			trans	-107.8	-5.6	-178.6	54.8	0	0	0	0	113.2	V271	T269-V271 VanDerWaalsContact C-N 3.3Å; T269-V271 PolarHBondContact O-N 3.27Å
270	S	80.4	Confident	82.3	Confident	81 Å²	81	109.1 Å²	109.1	57%	0.566	56%	0.561	S	S	*	*			trans	-79.5	-7.9	-176.1	73.3	0	0	0	0	114.4	D268 D272	D268-S270 VanDerWaalsContact CG-OG 3.29Å; D268-S270 VanDerWaalsContact OD1-CB 3.32Å; D268-S270 WeakPolarHBondContact OD1-CB 3.49Å; D268-S270 PolarHBondContact OD1-N 2.74Å; D268-S270 PolarHBondContact OD1-OG 3.32Å; D268-S270 PolarHBondContact OD2-OG 3.41Å; S270-D272 PolarHBondContact O-N 3.2Å
271	V	80.2	Confident	82.9	Confident	87 Å²	87	111.8 Å²	111.8	53%	0.527	57%	0.568	S	S	.	*			trans	-77.9	62.6	-173	-159.3	0	0	0	0	113.4	K232 D268 T269	K232-V271 VanDerWaalsContact NZ-CG1 3.3Å; K232-V271 PolarHBondContact NZ-O 2.85Å; D268-V271 HydrophobicContact CB-CG2 4.41Å; D268-V271 WeakPolarHBondContact OD2-CG2 3.43Å; T269-V271 VanDerWaalsContact C-N 3.3Å; T269-V271 PolarHBondContact O-N 3.27Å
272	D	82.8	Confident	83.3	Confident	43 Å²	43	109.8 Å²	109.8	23%	0.23	56%	0.561	C	S	.	*			trans	-66.5	172	178.6	-144.1	-63.5	0	0	0	112.9	S270 N274 Y277 K278	S270-D272 PolarHBondContact O-N 3.2Å; D272-N274 PolarHBondContact OD1-N 3.07Å; D272-Y277 VanDerWaalsContact CG-CB 3.47Å; D272-Y277 WeakPolarHBondContact OD2-CB 3.47Å; D272-K278 HydrophobicContact CB-CG 4.24Å; D272-K278 WeakPolarHBondContact O-CE 3.44Å
273	Y	84.5	Confident	83.7	Confident	80 Å²	80	107.2 Å²	107.2	31%	0.314	56%	0.556	S	S	.	*	S	Bend	trans	-111.3	-28.3	168.3	52.4	-93.1	0	0	0	111.8	K232 E233 A236	K232-Y273 HydrophobicContact CB-CD1 4.3Å; K232-Y273 HydrophobicContact CB-CG 4.28Å; E233-Y273 HydrophobicContact CB-CD2 3.51Å; E233-Y273 HydrophobicContact CB-CE2 3.83Å; E233-Y273 HydrophobicContact CB-CG 4.17Å; E233-Y273 HydrophobicContact CG-CD2 3.91Å; E233-Y273 HydrophobicContact CG-CE2 3.77Å; A236-Y273 HydrophobicContact CB-CE1 3.91Å
274	N	86.1	Confident	83.9	Confident	45 Å²	45	99.8 Å²	99.8	24%	0.241	53%	0.53	C	S	.	.	S	Bend	trans	-79	125.2	-177.2	-173.9	-27.3	0	0	0	111	D272 I276 Y277 K278	D272-N274 PolarHBondContact OD1-N 3.07Å; N274-I276 PolarHBondContact O-N 2.92Å; N274-I276 VanDerWaalsContact O-N 3.13Å; N274-I276 WeakPolarHBondContact OD1-CB 3.34Å; N274-I276 WeakPolarHBondContact OD1-CG1 3.49Å; N274-I276 PolarHBondContact OD1-N 3.4Å; N274-Y277 HydrophobicContact CB-CD2 3.87Å; N274-Y277 PolarHBondContact O-N 3.02Å; N274-K278 PolarHBondContact O-N 2.96Å; N274-K278 VanDerWaalsContact O-N 3.1Å
275	P	85.8	Confident	84.2	Confident	89 Å²	89	99.3 Å²	99.3	58%	0.578	53%	0.527	S	S	*	.	H	α-helix	trans	-51.8	-35.5	176.8	-28.7	36	0	0	0	114.3	Y277 K278 E279	P275-Y277 PolarHBondContact O-N 2.95Å; P275-K278 PolarHBondContact O-N 2.72Å; P275-E279 PolarHBondContact O-N 3.37Å
276	I	88.2	Confident	84.6	Confident	122 Å²	122	103.6 Å²	103.6	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-62.9	-32	179.6	-60.5	170.3	0	0	0	111.9	N274	N274-I276 PolarHBondContact O-N 2.92Å; N274-I276 VanDerWaalsContact O-N 3.13Å; N274-I276 WeakPolarHBondContact OD1-CB 3.34Å; N274-I276 WeakPolarHBondContact OD1-CG1 3.49Å; N274-I276 PolarHBondContact OD1-N 3.4Å
277	Y	84.4	Confident	84.7	Confident	128 Å²	128	100.6 Å²	100.6	50%	0.502	51%	0.509	S	S	.	.	H	α-helix	trans	-96.4	-13.2	179.8	-62.3	-47.4	0	0	0	113.8	D272 N274 P275 K280	D272-Y277 VanDerWaalsContact CG-CB 3.47Å; D272-Y277 WeakPolarHBondContact OD2-CB 3.47Å; N274-Y277 HydrophobicContact CB-CD2 3.87Å; N274-Y277 PolarHBondContact O-N 3.02Å; P275-Y277 PolarHBondContact O-N 2.95Å; Y277-K280 WeakPolarHBondContact O-CE 3.36Å; Y277-K280 WeakPolarHBondContact O-CG 3.17Å
278	K	83.2	Confident	84.9	Confident	95 Å²	95	105.1 Å²	105.1	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-79.3	-57.5	166.3	-66.8	-176.1	176.1	-163.7	0	111.3	D229 D272 N274 P275 K280	D229-K278 IonicContact OD1-NZ 2.74Å; D229-K278 PolarHBondContact OD1-NZ 2.84Å; D229-K278 IonicContact OD2-NZ 3.44Å; D229-K278 PolarHBondContact OD2-NZ 3.08Å; D272-K278 HydrophobicContact CB-CG 4.24Å; D272-K278 WeakPolarHBondContact O-CE 3.44Å; N274-K278 PolarHBondContact O-N 2.96Å; N274-K278 VanDerWaalsContact O-N 3.1Å; P275-K278 PolarHBondContact O-N 2.72Å; K278-K280 VanDerWaalsContact C-N 3.28Å; K278-K280 PolarHBondContact O-N 2.84Å
279	E	83.9	Confident	85.1	Confident	172 Å²	172	102.9 Å²	102.9	80%	0.804	52%	0.518	S	S	*	.	S	Bend	trans	-95.3	55.7	179.1	-64.9	-178	-171.6	0	0	109.8	P275 H281	P275-E279 PolarHBondContact O-N 3.37Å; E279-H281 PolarHBondContact O-N 3.32Å; E279-H281 VanDerWaalsContact O-N 3.14Å
280	K	84.8	Confident	85.3	Confident	132 Å²	132	99.9 Å²	99.9	57%	0.574	50%	0.495	S	S	*	.			trans	-55.6	121.9	176.1	-74.6	171.2	179.4	162.1	0	109	Y277 K278 Q282	Y277-K280 WeakPolarHBondContact O-CE 3.36Å; Y277-K280 WeakPolarHBondContact O-CG 3.17Å; K278-K280 VanDerWaalsContact C-N 3.28Å; K278-K280 PolarHBondContact O-N 2.84Å; K280-Q282 PolarHBondContact O-N 3.37Å
281	H	86.2	Confident	85.7	Confident	148 Å²	148	99.6 Å²	99.6	69%	0.685	49%	0.486	S	S	*	.			trans	-59.1	105.8	177.1	-174.2	88.7	0	0	0	109.7	E279 Q284	E279-H281 PolarHBondContact O-N 3.32Å; E279-H281 VanDerWaalsContact O-N 3.14Å; H281-Q284 PolarHBondContact CE1-NE2 3.04Å; H281-Q284 PolarHBondContact NE2-NE2 3.3Å
282	Q	85.2	Confident	86.3	Confident	150 Å²	150	99.9 Å²	99.9	70%	0.701	50%	0.498	S	S	*	.			trans	-63.2	138.2	-179.7	-65.5	-177.3	2.9	0	0	109.9	K280 Q284	K280-Q282 PolarHBondContact O-N 3.37Å; Q282-Q284 PolarHBondContact O-N 3.38Å
283	V	86.7	Confident	86.5	Confident	106 Å²	106	102.3 Å²	102.3	64%	0.642	53%	0.533	S	S	*	.			trans	-64.8	107.5	-172.6	-72.7	0	0	0	0	111.6	L285	V283-L285 HydrophobicContact CB-CD2 4.41Å; V283-L285 HydrophobicContact CG2-CD2 4.37Å; V283-L285 HydrophobicContact CG2-CG 4.4Å; V283-L285 PolarHBondContact O-N 2.98Å; V283-L285 VanDerWaalsContact O-N 3.1Å
284	Q	85.9	Confident	86.7	Confident	53 Å²	53	102.2 Å²	102.2	25%	0.248	54%	0.537	C	S	.	.			trans	-81.2	89.3	172.3	-61.2	178.8	33.7	0	0	108.8	H281 Q282 Y286 Y307	H281-Q284 PolarHBondContact CE1-NE2 3.04Å; H281-Q284 PolarHBondContact NE2-NE2 3.3Å; Q282-Q284 PolarHBondContact O-N 3.38Å; Q284-Y286 PolarHBondContact O-N 2.84Å; Q284-Y307 HydrophobicContact CB-CD2 4.07Å; Q284-Y307 HydrophobicContact CB-CE2 3.68Å
285	L	88.7	Confident	86.8	Confident	84 Å²	84	104.2 Å²	104.2	44%	0.44	55%	0.548	S	S	.	.			trans	-66.8	70	-177	-63.3	172.7	0	0	0	112	V283 G287 R288 G289	V283-L285 HydrophobicContact CB-CD2 4.41Å; V283-L285 HydrophobicContact CG2-CD2 4.37Å; V283-L285 HydrophobicContact CG2-CG 4.4Å; V283-L285 PolarHBondContact O-N 2.98Å; V283-L285 VanDerWaalsContact O-N 3.1Å; L285-G287 PolarHBondContact O-N 3.42Å; L285-R288 PolarHBondContact O-N 3.49Å; L285-G289 PolarHBondContact O-N 2.72Å
286	Y	88.1	Confident	86.8	Confident	179 Å²	179	104.2 Å²	104.2	70%	0.702	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	22.1	-172.6	-56.1	-74.6	0	0	0	114.8	Q284 R288	Q284-Y286 PolarHBondContact O-N 2.84Å; Y286-R288 PolarHBondContact O-N 3.4Å
287	G	83	Confident	86.7	Confident	29 Å²	29	101.7 Å²	101.7	30%	0.299	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	17.7	-171.9	0	0	0	0	0	114.4	L285	L285-G287 PolarHBondContact O-N 3.42Å
288	R	85.3	Confident	86.9	Confident	177 Å²	177	99.9 Å²	99.9	67%	0.668	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	-33.2	-175.3	-66.2	-178.3	-175.5	-168.1	2.6	113.6	L285 Y286 F290	L285-R288 PolarHBondContact O-N 3.49Å; Y286-R288 PolarHBondContact O-N 3.4Å; R288-F290 VanDerWaalsContact O-CE2 3.24Å; R288-F290 WeakPolarHBondContact O-CE2 3.28Å
289	G	88.2	Confident	87.1	Confident	34 Å²	34	96.3 Å²	96.3	35%	0.351	51%	0.507	S	S	.	.			trans	-84.3	152.7	170.8	0	0	0	0	0	111.9	L285	L285-G289 PolarHBondContact O-N 2.72Å
290	F	89.4	Confident	87.2	Confident	63 Å²	63	92.7 Å²	92.7	28%	0.276	49%	0.489	S	S	.	.			trans	-130.1	152.7	-177.7	-62.3	-72.5	0	0	0	110	R288 L296 Q299 K300	R288-F290 VanDerWaalsContact O-CE2 3.24Å; R288-F290 WeakPolarHBondContact O-CE2 3.28Å; F290-L296 HydrophobicContact CB-CD2 3.53Å; F290-L296 HydrophobicContact CD2-CD2 3.87Å; F290-L296 HydrophobicContact CG-CD2 3.71Å; F290-Q299 HydrophobicContact CD1-CB 3.97Å; F290-K300 HydrophobicContact CE1-CD 4.47Å; F290-K300 HydrophobicContact CE1-CG 3.61Å; F290-K300 HydrophobicContact CZ-CD 4.2Å; F290-K300 HydrophobicContact CZ-CG 3.76Å
291	I	89.9	Confident	87.3	Confident	75 Å²	75	96.4 Å²	96.4	39%	0.385	50%	0.499	S	S	.	.			trans	-67.6	136.9	174.3	-56.6	174.3	0	0	0	108.5	I294 Q299	I291-I294 HydrophobicContact CB-CD1 4.19Å; I291-I294 HydrophobicContact CG2-CD1 3.88Å; I291-I294 HydrophobicContact CG2-CG1 4.46Å; I291-Q299 PolarHBondContact O-NE2 3.08Å
292	A	91.5	Very high	87.2	Confident	94 Å²	94	95.5 Å²	95.5	78%	0.777	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	146.8	179.8	0	0	0	0	0	111.9	I294	A292-I294 VanDerWaalsContact C-N 3.27Å; A292-I294 PolarHBondContact O-N 3.21Å
293	G	87.8	Confident	87.2	Confident	93 Å²	93	92.3 Å²	92.3	96%	0.959	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-19.8	174.2	0	0	0	0	0	116.8
294	I	87.9	Confident	86.9	Confident	78 Å²	78	90.3 Å²	90.3	40%	0.4	47%	0.471	S	S	.	.	S	Bend	trans	-93.1	142.4	179.8	-51.2	174.7	0	0	0	110.1	I291 A292 L296 Q299	I291-I294 HydrophobicContact CB-CD1 4.19Å; I291-I294 HydrophobicContact CG2-CD1 3.88Å; I291-I294 HydrophobicContact CG2-CG1 4.46Å; A292-I294 VanDerWaalsContact C-N 3.27Å; A292-I294 PolarHBondContact O-N 3.21Å; I294-L296 PolarHBondContact O-N 3.19Å; I294-L296 VanDerWaalsContact O-N 3.15Å; I294-Q299 HydrophobicContact CB-CG 4.04Å; I294-Q299 HydrophobicContact CG2-CG 3.72Å; I294-Q299 PolarHBondContact O-NE2 3.43Å
295	D	88.3	Confident	86.8	Confident	88 Å²	88	97.2 Å²	97.2	47%	0.471	50%	0.495	S	S	.	.			trans	-55.6	121.3	178.3	177.1	11.2	0	0	0	111.7	K297 Q298 Q299	D295-K297 PolarHBondContact O-N 2.85Å; D295-K297 VanDerWaalsContact O-N 3.14Å; D295-K297 PolarHBondContact OD1-N 2.58Å; D295-Q298 HydrophobicContact CB-CB 4.11Å; D295-Q298 WeakPolarHBondContact O-CB 3.43Å; D295-Q298 PolarHBondContact O-N 3.32Å; D295-Q299 WeakPolarHBondContact O-CG 3.48Å; D295-Q299 PolarHBondContact O-N 3.11Å
296	L	86.3	Confident	86.9	Confident	88 Å²	88	98.8 Å²	98.8	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-55.9	-29.4	177.6	-55.2	178.3	0	0	0	112.8	F290 I294 K300	F290-L296 HydrophobicContact CB-CD2 3.53Å; F290-L296 HydrophobicContact CD2-CD2 3.87Å; F290-L296 HydrophobicContact CG-CD2 3.71Å; I294-L296 PolarHBondContact O-N 3.19Å; I294-L296 VanDerWaalsContact O-N 3.15Å; L296-K300 WeakPolarHBondContact O-CB 3.44Å; L296-K300 WeakPolarHBondContact O-CD 3.34Å; L296-K300 WeakPolarHBondContact O-CG 3.38Å; L296-K300 PolarHBondContact O-N 3.26Å
297	K	86.3	Confident	86.8	Confident	70 Å²	70	92.7 Å²	92.7	30%	0.304	48%	0.475	S	S	.	.	H	α-helix	trans	-76.3	-37.1	176.8	-68.4	166.3	-179.3	155.4	0	111.8	D295 R301 E334	D295-K297 PolarHBondContact O-N 2.85Å; D295-K297 VanDerWaalsContact O-N 3.14Å; D295-K297 PolarHBondContact OD1-N 2.58Å; K297-R301 WeakPolarHBondContact O-CG 3.31Å; K297-R301 PolarHBondContact O-N 2.63Å; K297-E334 WeakPolarHBondContact CE-OE2 3.25Å
298	Q	88.1	Confident	86.9	Confident	90 Å²	90	93.5 Å²	93.5	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-50.9	172	-177.9	174.1	2.4	0	0	110.2	D295 K300 R301 E302	D295-Q298 HydrophobicContact CB-CB 4.11Å; D295-Q298 WeakPolarHBondContact O-CB 3.43Å; D295-Q298 PolarHBondContact O-N 3.32Å; Q298-K300 VanDerWaalsContact C-N 3.3Å; Q298-K300 PolarHBondContact O-N 3.29Å; Q298-R301 WeakPolarHBondContact O-CA 3.37Å; Q298-R301 WeakPolarHBondContact O-CB 3.37Å; Q298-R301 PolarHBondContact O-N 3.16Å; Q298-E302 VanDerWaalsContact CG-CD 3.49Å; Q298-E302 HydrophobicContact CG-CG 4.39Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.37Å; Q298-E302 PolarHBondContact NE2-OE1 3.09Å; Q298-E302 PolarHBondContact O-N 2.95Å
299	Q	87	Confident	87.1	Confident	19 Å²	19	89.9 Å²	89.9	9%	0.089	48%	0.477	C	S	.	.	H	α-helix	trans	-55.5	-42.3	176.1	-66.8	-171.8	63.5	0	0	112.5	F290 I291 I294 D295 R301 E302 Q303	F290-Q299 HydrophobicContact CD1-CB 3.97Å; I291-Q299 PolarHBondContact O-NE2 3.08Å; I294-Q299 HydrophobicContact CB-CG 4.04Å; I294-Q299 HydrophobicContact CG2-CG 3.72Å; I294-Q299 PolarHBondContact O-NE2 3.43Å; D295-Q299 WeakPolarHBondContact O-CG 3.48Å; D295-Q299 PolarHBondContact O-N 3.11Å; Q299-R301 PolarHBondContact O-N 3.09Å; Q299-E302 PolarHBondContact O-N 2.82Å; Q299-Q303 VanDerWaalsContact O-CB 3.25Å; Q299-Q303 WeakPolarHBondContact O-CB 3.19Å; Q299-Q303 PolarHBondContact O-N 3.13Å
300	K	86.6	Confident	87.2	Confident	96 Å²	96	90.2 Å²	90.2	42%	0.417	47%	0.471	S	S	.	.	H	α-helix	trans	-66	-18	176	-78.3	170.9	-174.8	170.3	0	114.9	F290 L296 Q298 Q303	F290-K300 HydrophobicContact CE1-CD 4.47Å; F290-K300 HydrophobicContact CE1-CG 3.61Å; F290-K300 HydrophobicContact CZ-CD 4.2Å; F290-K300 HydrophobicContact CZ-CG 3.76Å; L296-K300 WeakPolarHBondContact O-CB 3.44Å; L296-K300 WeakPolarHBondContact O-CD 3.34Å; L296-K300 WeakPolarHBondContact O-CG 3.38Å; L296-K300 PolarHBondContact O-N 3.26Å; Q298-K300 VanDerWaalsContact C-N 3.3Å; Q298-K300 PolarHBondContact O-N 3.29Å; K300-Q303 PolarHBondContact O-NE2 2.86Å
301	R	86.5	Confident	87.1	Confident	210 Å²	210	89.9 Å²	89.9	79%	0.792	47%	0.47	S	S	*	.	H	α-helix	trans	-89	-38.9	173.9	-71.4	169.4	171.4	-176.7	-3.6	111.8	K297 Q298 Q299	K297-R301 WeakPolarHBondContact O-CG 3.31Å; K297-R301 PolarHBondContact O-N 2.63Å; Q298-R301 WeakPolarHBondContact O-CA 3.37Å; Q298-R301 WeakPolarHBondContact O-CB 3.37Å; Q298-R301 PolarHBondContact O-N 3.16Å; Q299-R301 PolarHBondContact O-N 3.09Å
302	E	85.1	Confident	87.1	Confident	129 Å²	129	92.6 Å²	92.6	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-84.9	-22.3	-176.8	-68.3	170.2	-177	0	0	113.2	Q298 Q299	Q298-E302 VanDerWaalsContact CG-CD 3.49Å; Q298-E302 HydrophobicContact CG-CG 4.39Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.37Å; Q298-E302 PolarHBondContact NE2-OE1 3.09Å; Q298-E302 PolarHBondContact O-N 2.95Å; Q299-E302 PolarHBondContact O-N 2.82Å
303	Q	84.4	Confident	87	Confident	83 Å²	83	96.9 Å²	96.9	39%	0.388	48%	0.483	S	S	.	.	S	Bend	trans	-56.5	143.1	176.4	68.5	-177.4	-0.2	0	0	111.8	Q299 K300 R305	Q299-Q303 VanDerWaalsContact O-CB 3.25Å; Q299-Q303 WeakPolarHBondContact O-CB 3.19Å; Q299-Q303 PolarHBondContact O-N 3.13Å; K300-Q303 PolarHBondContact O-NE2 2.86Å; Q303-R305 PolarHBondContact O-N 2.95Å
304	S	80.9	Confident	87.1	Confident	64 Å²	64	101.8 Å²	101.8	45%	0.448	47%	0.472	S	S	.	.			trans	-59	134.5	170.8	-169.3	0	0	0	0	110.7	F306	S304-F306 PolarHBondContact O-N 3.41Å; S304-F306 VanDerWaalsContact O-N 3.13Å
305	R	84.2	Confident	87.2	Confident	199 Å²	199	101.1 Å²	101.1	75%	0.751	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.3	-178.9	-66.7	-171.8	-179.4	-173.9	1.7	114.4	Q303 Y307 G308 D309	Q303-R305 PolarHBondContact O-N 2.95Å; R305-Y307 VanDerWaalsContact C-N 3.32Å; R305-Y307 PolarHBondContact O-N 3.17Å; R305-Y307 VanDerWaalsContact O-N 3.15Å; R305-G308 WeakPolarHBondContact O-CA 3.33Å; R305-G308 PolarHBondContact O-N 3Å; R305-D309 PolarHBondContact O-N 3.2Å
306	F	89.4	Confident	87.3	Confident	116 Å²	116	100.6 Å²	100.6	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-44	-50.5	-177.3	178	-101.7	0	0	0	114	S304 L310	S304-F306 PolarHBondContact O-N 3.41Å; S304-F306 VanDerWaalsContact O-N 3.13Å; F306-L310 HydrophobicContact CE1-CD2 4.17Å; F306-L310 HydrophobicContact CZ-CD2 4.46Å; F306-L310 WeakPolarHBondContact O-CB 3.15Å; F306-L310 PolarHBondContact O-N 3.31Å
307	Y	86.6	Confident	87.5	Confident	52 Å²	52	103.3 Å²	103.3	20%	0.204	48%	0.479	C	S	.	.	H	α-helix	trans	-72.9	-24.5	178.5	-78.8	-76.7	0	0	0	113.9	Q284 R305 L310 M311	Q284-Y307 HydrophobicContact CB-CD2 4.07Å; Q284-Y307 HydrophobicContact CB-CE2 3.68Å; R305-Y307 VanDerWaalsContact C-N 3.32Å; R305-Y307 PolarHBondContact O-N 3.17Å; R305-Y307 VanDerWaalsContact O-N 3.15Å; Y307-L310 HydrophobicContact CD1-CD2 4.13Å; Y307-L310 HydrophobicContact CE1-CD2 4.27Å; Y307-M311 WeakPolarHBondContact O-CB 3.45Å; Y307-M311 WeakPolarHBondContact O-CG 3.25Å; Y307-M311 PolarHBondContact O-N 2.8Å
308	G	86.3	Confident	87.6	Confident	46 Å²	46	106.1 Å²	106.1	47%	0.474	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-55.8	172	0	0	0	0	0	110.9	R305 L310 M311 E312	R305-G308 WeakPolarHBondContact O-CA 3.33Å; R305-G308 PolarHBondContact O-N 3Å; G308-L310 VanDerWaalsContact C-N 3.28Å; G308-L310 PolarHBondContact O-N 3.45Å; G308-M311 PolarHBondContact O-N 3.12Å; G308-E312 PolarHBondContact O-N 3.24Å
309	D	89.4	Confident	87.6	Confident	101 Å²	101	106.1 Å²	106.1	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-60.7	-38.8	179.2	-51.9	-18.4	0	0	0	111.1	R305 E312 K313	R305-D309 PolarHBondContact O-N 3.2Å; D309-E312 PolarHBondContact O-N 2.89Å; D309-K313 WeakPolarHBondContact O-CB 3.5Å; D309-K313 PolarHBondContact O-N 3.17Å
310	L	90.3	Very high	87.7	Confident	41 Å²	41	109.1 Å²	109.1	22%	0.215	51%	0.506	C	S	.	.	H	α-helix	trans	-65.2	-41.3	176.9	-174.3	64.7	0	0	0	112.6	F306 Y307 G308 K313 R314	F306-L310 HydrophobicContact CE1-CD2 4.17Å; F306-L310 HydrophobicContact CZ-CD2 4.46Å; F306-L310 WeakPolarHBondContact O-CB 3.15Å; F306-L310 PolarHBondContact O-N 3.31Å; Y307-L310 HydrophobicContact CD1-CD2 4.13Å; Y307-L310 HydrophobicContact CE1-CD2 4.27Å; G308-L310 VanDerWaalsContact C-N 3.28Å; G308-L310 PolarHBondContact O-N 3.45Å; L310-K313 PolarHBondContact O-N 3.4Å; L310-R314 HydrophobicContact CD1-CG 4.29Å; L310-R314 WeakPolarHBondContact O-CB 3.4Å; L310-R314 WeakPolarHBondContact O-CG 3.25Å; L310-R314 PolarHBondContact O-N 3.41Å
311	M	87.4	Confident	87.9	Confident	55 Å²	55	110.4 Å²	110.4	27%	0.271	51%	0.514	S	S	.	.	H	α-helix	trans	-71.5	-36.4	178	-69.2	-77.4	158.3	0	0	111.5	Y307 G308 K313 R315	Y307-M311 WeakPolarHBondContact O-CB 3.45Å; Y307-M311 WeakPolarHBondContact O-CG 3.25Å; Y307-M311 PolarHBondContact O-N 2.8Å; G308-M311 PolarHBondContact O-N 3.12Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-R315 VanDerWaalsContact O-CB 3.32Å; M311-R315 WeakPolarHBondContact O-CB 3.37Å; M311-R315 VanDerWaalsContact O-CG 3.25Å; M311-R315 WeakPolarHBondContact O-CG 3.24Å; M311-R315 PolarHBondContact O-N 3.17Å; M311-R315 VanDerWaalsContact O-N 3.13Å
312	E	88.2	Confident	88	Confident	132 Å²	132	105.9 Å²	105.9	62%	0.617	50%	0.501	S	S	*	.	H	α-helix	trans	-65	-36.7	172.9	-175.6	172	-168.6	0	0	112.1	G308 D309 K320	G308-E312 PolarHBondContact O-N 3.24Å; D309-E312 PolarHBondContact O-N 2.89Å; E312-K320 WeakPolarHBondContact O-CE 3.35Å; E312-K320 PolarHBondContact O-NZ 3.28Å
313	K	90.4	Very high	88	Confident	185 Å²	185	101.6 Å²	101.6	80%	0.804	48%	0.481	S	S	*	.	H	α-helix	trans	-75.9	-31.2	178.5	-171.4	172.1	-178.8	178.5	0	114.1	D309 L310 M311	D309-K313 WeakPolarHBondContact O-CB 3.5Å; D309-K313 PolarHBondContact O-N 3.17Å; L310-K313 PolarHBondContact O-N 3.4Å; M311-K313 VanDerWaalsContact C-N 3.32Å
314	R	89.4	Confident	88.3	Confident	196 Å²	196	102.1 Å²	102.1	74%	0.74	48%	0.484	S	S	*	.	H	α-helix	trans	-95.9	-25.7	-173.7	-73.7	-172.8	174.4	-172.9	0.4	115.5	L310	L310-R314 HydrophobicContact CD1-CG 4.29Å; L310-R314 WeakPolarHBondContact O-CB 3.4Å; L310-R314 WeakPolarHBondContact O-CG 3.25Å; L310-R314 PolarHBondContact O-N 3.41Å
315	R	89.8	Confident	88.9	Confident	63 Å²	63	102.4 Å²	102.4	24%	0.238	48%	0.483	C	S	.	.			trans	-73.5	144.9	-175.8	-78.2	173.7	168.9	153	-12.3	113.3	M311 E319 K320 E323	M311-R315 VanDerWaalsContact O-CB 3.32Å; M311-R315 WeakPolarHBondContact O-CB 3.37Å; M311-R315 VanDerWaalsContact O-CG 3.25Å; M311-R315 WeakPolarHBondContact O-CG 3.24Å; M311-R315 PolarHBondContact O-N 3.17Å; M311-R315 VanDerWaalsContact O-N 3.13Å; R315-E319 WeakPolarHBondContact CA-OE2 3.39Å; R315-E319 HydrophobicContact CB-CB 3.97Å; R315-E319 HydrophobicContact CG-CB 4.04Å; R315-E319 WeakPolarHBondContact CG-OE2 3.46Å; R315-K320 HydrophobicContact CB-CG 3.85Å; R315-E323 IonicContact NH2-OE1 2.59Å; R315-E323 IonicContact NH2-OE2 3.75Å
316	T	91.6	Very high	89.2	Confident	77 Å²	77	99 Å²	99	47%	0.472	47%	0.47	S	S	.	.			trans	-67.1	168.4	166.8	69.6	0	0	0	0	111.2	E318 E319 K320	T316-E318 VanDerWaalsContact C-N 3.34Å; T316-E319 PolarHBondContact N-OE2 2.78Å; T316-E319 PolarHBondContact O-N 2.91Å; T316-E319 WeakPolarHBondContact OG1-CG 3.48Å; T316-E319 PolarHBondContact OG1-N 3.09Å; T316-K320 WeakPolarHBondContact O-CG 3.19Å; T316-K320 PolarHBondContact O-N 2.67Å; T316-K320 VanDerWaalsContact O-N 3.08Å
317	L	89.5	Confident	89.2	Confident	145 Å²	145	96.7 Å²	96.7	76%	0.759	46%	0.462	S	S	*	.	H	α-helix	trans	-58.7	-46.1	174.9	-78.8	155.7	0	0	0	111.5	K320 E321	L317-K320 WeakPolarHBondContact O-CB 3.39Å; L317-K320 PolarHBondContact O-N 3.42Å; L317-K320 VanDerWaalsContact O-N 3.16Å; L317-E321 PolarHBondContact O-N 3.45Å; L317-E321 VanDerWaalsContact O-N 3.08Å
318	E	88.4	Confident	89.5	Confident	129 Å²	129	99.3 Å²	99.3	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-64.6	-42	179.7	-165.8	-179.5	171.5	0	0	112.5	T316 K320 E321 Q322	T316-E318 VanDerWaalsContact C-N 3.34Å; E318-K320 VanDerWaalsContact C-N 3.27Å; E318-K320 PolarHBondContact O-N 2.99Å; E318-E321 PolarHBondContact O-N 3.4Å; E318-Q322 WeakPolarHBondContact O-CG 3.33Å; E318-Q322 PolarHBondContact O-N 2.84Å
319	E	88.3	Confident	89.8	Confident	90 Å²	90	104.4 Å²	104.4	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-31.5	174.2	-74	178.5	156.1	0	0	112.9	R315 T316 E323	R315-E319 WeakPolarHBondContact CA-OE2 3.39Å; R315-E319 HydrophobicContact CB-CB 3.97Å; R315-E319 HydrophobicContact CG-CB 4.04Å; R315-E319 WeakPolarHBondContact CG-OE2 3.46Å; T316-E319 PolarHBondContact N-OE2 2.78Å; T316-E319 PolarHBondContact O-N 2.91Å; T316-E319 WeakPolarHBondContact OG1-CG 3.48Å; T316-E319 PolarHBondContact OG1-N 3.09Å; E319-E323 WeakPolarHBondContact O-CB 3.45Å; E319-E323 PolarHBondContact O-N 2.98Å
320	K	88.8	Confident	89.9	Confident	82 Å²	82	102 Å²	102	36%	0.357	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-43.4	173.5	-73.4	176.5	-176.8	-169.5	0	110.9	E312 R315 T316 L317 E318 E323 E324	E312-K320 WeakPolarHBondContact O-CE 3.35Å; E312-K320 PolarHBondContact O-NZ 3.28Å; R315-K320 HydrophobicContact CB-CG 3.85Å; T316-K320 WeakPolarHBondContact O-CG 3.19Å; T316-K320 PolarHBondContact O-N 2.67Å; T316-K320 VanDerWaalsContact O-N 3.08Å; L317-K320 WeakPolarHBondContact O-CB 3.39Å; L317-K320 PolarHBondContact O-N 3.42Å; L317-K320 VanDerWaalsContact O-N 3.16Å; E318-K320 VanDerWaalsContact C-N 3.27Å; E318-K320 PolarHBondContact O-N 2.99Å; K320-E323 PolarHBondContact O-N 2.59Å; K320-E324 VanDerWaalsContact O-CB 3.31Å; K320-E324 WeakPolarHBondContact O-CB 3.46Å; K320-E324 PolarHBondContact O-N 3.13Å
321	E	90.3	Very high	89.8	Confident	124 Å²	124	108.3 Å²	108.3	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-65.6	-40.9	175.9	-68.6	-177.2	-179.3	0	0	112.4	L317 E318 E324 T325	L317-E321 PolarHBondContact O-N 3.45Å; L317-E321 VanDerWaalsContact O-N 3.08Å; E318-E321 PolarHBondContact O-N 3.4Å; E321-E324 PolarHBondContact O-N 2.89Å; E321-T325 WeakPolarHBondContact O-CG2 3.43Å; E321-T325 PolarHBondContact O-N 3.06Å; E321-T325 PolarHBondContact O-OG1 2.97Å
322	Q	89.3	Confident	90.1	Very high	115 Å²	115	113.7 Å²	113.7	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.3	-70.2	-179.2	17.5	0	0	112	E318 T325 R326	E318-Q322 WeakPolarHBondContact O-CG 3.33Å; E318-Q322 PolarHBondContact O-N 2.84Å; Q322-T325 PolarHBondContact O-OG1 3.01Å; Q322-R326 WeakPolarHBondContact O-CB 3.43Å; Q322-R326 PolarHBondContact O-N 3.32Å
323	E	85.8	Confident	90.3	Very high	39 Å²	39	115.3 Å²	115.3	18%	0.182	52%	0.521	C	S	.	.	H	α-helix	trans	-68.3	-38.8	174	-179.7	70.8	166.1	0	0	111.9	R315 E319 K320 R326 L327	R315-E323 IonicContact NH2-OE1 2.59Å; R315-E323 IonicContact NH2-OE2 3.75Å; E319-E323 WeakPolarHBondContact O-CB 3.45Å; E319-E323 PolarHBondContact O-N 2.98Å; K320-E323 PolarHBondContact O-N 2.59Å; E323-R326 WeakPolarHBondContact O-CB 3.44Å; E323-R326 PolarHBondContact O-N 2.96Å; E323-R326 IonicContact OE1-CZ 3.41Å; E323-R326 IonicContact OE1-NE 2.73Å; E323-R326 IonicContact OE1-NH2 2.69Å; E323-R326 PolarHBondContact OE1-NH2 2.87Å; E323-R326 IonicContact OE2-CZ 2.79Å; E323-R326 IonicContact OE2-NE 3.66Å; E323-R326 PolarHBondContact OE2-NE 3.48Å; E323-R326 IonicContact OE2-NH2 3.79Å; E323-R326 PolarHBondContact OE2-NH2 3.31Å; E323-L327 HydrophobicContact CG-CD1 3.9Å; E323-L327 HydrophobicContact CG-CG 4.21Å; E323-L327 WeakPolarHBondContact O-CB 3.5Å; E323-L327 VanDerWaalsContact O-CG 3.31Å; E323-L327 WeakPolarHBondContact O-CG 3.39Å; E323-L327 PolarHBondContact O-N 3.06Å
324	E	90.5	Very high	90.2	Very high	94 Å²	94	108.5 Å²	108.5	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-41.7	179.1	-158.1	-151.4	173.5	0	0	111.3	K320 E321 L327 K328	K320-E324 VanDerWaalsContact O-CB 3.31Å; K320-E324 WeakPolarHBondContact O-CB 3.46Å; K320-E324 PolarHBondContact O-N 3.13Å; E321-E324 PolarHBondContact O-N 2.89Å; E324-L327 PolarHBondContact O-N 2.84Å; E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 WeakPolarHBondContact O-CB 3.36Å; E324-K328 VanDerWaalsContact O-CG 3.27Å; E324-K328 WeakPolarHBondContact O-CG 3.5Å; E324-K328 PolarHBondContact O-N 2.92Å; E324-K328 WeakPolarHBondContact OE1-CE 3.38Å; E324-K328 IonicContact OE1-NZ 3.7Å; E324-K328 PolarHBondContact OE1-NZ 2.87Å; E324-K328 IonicContact OE2-NZ 3.73Å; E324-K328 PolarHBondContact OE2-NZ 3.4Å
325	T	92.7	Very high	90.2	Very high	69 Å²	69	102 Å²	102	42%	0.423	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-37.6	174.2	56.2	0	0	0	0	111.9	E321 Q322 K328 K329	E321-T325 WeakPolarHBondContact O-CG2 3.43Å; E321-T325 PolarHBondContact O-N 3.06Å; E321-T325 PolarHBondContact O-OG1 2.97Å; Q322-T325 PolarHBondContact O-OG1 3.01Å; T325-K328 PolarHBondContact O-N 3.05Å; T325-K329 WeakPolarHBondContact O-CG 3.47Å; T325-K329 PolarHBondContact O-N 2.84Å
326	R	91.4	Very high	90.2	Very high	129 Å²	129	105.5 Å²	105.5	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-46	170.9	-166.6	-172.5	73.5	93.4	1.5	111.5	Q322 E323 K329 V330	Q322-R326 WeakPolarHBondContact O-CB 3.43Å; Q322-R326 PolarHBondContact O-N 3.32Å; E323-R326 WeakPolarHBondContact O-CB 3.44Å; E323-R326 PolarHBondContact O-N 2.96Å; E323-R326 IonicContact OE1-CZ 3.41Å; E323-R326 IonicContact OE1-NE 2.73Å; E323-R326 IonicContact OE1-NH2 2.69Å; E323-R326 PolarHBondContact OE1-NH2 2.87Å; E323-R326 IonicContact OE2-CZ 2.79Å; E323-R326 IonicContact OE2-NE 3.66Å; E323-R326 PolarHBondContact OE2-NE 3.48Å; E323-R326 IonicContact OE2-NH2 3.79Å; E323-R326 PolarHBondContact OE2-NH2 3.31Å; R326-K329 WeakPolarHBondContact O-CB 3.45Å; R326-K329 PolarHBondContact O-N 3.11Å; R326-V330 WeakPolarHBondContact O-CG2 3.24Å; R326-V330 PolarHBondContact O-N 3.42Å
327	L	88.9	Confident	89.9	Confident	66 Å²	66	106.9 Å²	106.9	35%	0.346	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-38.6	176.6	-74.3	171.9	0	0	0	111.9	E323 E324 V330 R331	E323-L327 HydrophobicContact CG-CD1 3.9Å; E323-L327 HydrophobicContact CG-CG 4.21Å; E323-L327 WeakPolarHBondContact O-CB 3.5Å; E323-L327 VanDerWaalsContact O-CG 3.31Å; E323-L327 WeakPolarHBondContact O-CG 3.39Å; E323-L327 PolarHBondContact O-N 3.06Å; E324-L327 PolarHBondContact O-N 2.84Å; L327-V330 PolarHBondContact O-N 2.84Å; L327-R331 VanDerWaalsContact O-CB 3.29Å; L327-R331 WeakPolarHBondContact O-CB 3.24Å; L327-R331 VanDerWaalsContact O-CG 3.23Å; L327-R331 WeakPolarHBondContact O-CG 3.35Å; L327-R331 PolarHBondContact O-N 3.22Å
328	K	92.4	Very high	89.6	Confident	108 Å²	108	106.9 Å²	106.9	47%	0.47	49%	0.488	S	S	.	.	H	α-helix	trans	-60.3	-45.3	171.5	-76.8	165.2	176.3	161.8	0	111	E324 T325 R331 K332	E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 WeakPolarHBondContact O-CB 3.36Å; E324-K328 VanDerWaalsContact O-CG 3.27Å; E324-K328 WeakPolarHBondContact O-CG 3.5Å; E324-K328 PolarHBondContact O-N 2.92Å; E324-K328 WeakPolarHBondContact OE1-CE 3.38Å; E324-K328 IonicContact OE1-NZ 3.7Å; E324-K328 PolarHBondContact OE1-NZ 2.87Å; E324-K328 IonicContact OE2-NZ 3.73Å; E324-K328 PolarHBondContact OE2-NZ 3.4Å; T325-K328 PolarHBondContact O-N 3.05Å; K328-R331 PolarHBondContact O-N 3.45Å; K328-K332 WeakPolarHBondContact O-CB 3.44Å; K328-K332 PolarHBondContact O-N 3.19Å
329	K	93.4	Very high	89.3	Confident	152 Å²	152	107.5 Å²	107.5	66%	0.661	49%	0.485	S	S	*	.	H	α-helix	trans	-61.6	-44.5	174.4	-73.8	173.4	-180	174.9	0	112.3	T325 R326 K332 K333	T325-K329 WeakPolarHBondContact O-CG 3.47Å; T325-K329 PolarHBondContact O-N 2.84Å; R326-K329 WeakPolarHBondContact O-CB 3.45Å; R326-K329 PolarHBondContact O-N 3.11Å; K329-K332 PolarHBondContact O-N 2.94Å; K329-K333 PolarHBondContact O-N 3Å
330	V	90.3	Very high	88.8	Confident	52 Å²	52	107 Å²	107	32%	0.315	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-46.2	176.5	173.2	0	0	0	0	111.2	R326 L327 K332 K333 E334	R326-V330 WeakPolarHBondContact O-CG2 3.24Å; R326-V330 PolarHBondContact O-N 3.42Å; L327-V330 PolarHBondContact O-N 2.84Å; V330-K332 VanDerWaalsContact C-N 3.3Å; V330-K332 PolarHBondContact O-N 3Å; V330-K333 WeakPolarHBondContact O-CB 3.35Å; V330-K333 PolarHBondContact O-N 2.98Å; V330-K333 VanDerWaalsContact O-N 3.13Å; V330-E334 PolarHBondContact O-N 2.96Å
331	R	89.8	Confident	88.4	Confident	173 Å²	173	106.5 Å²	106.5	65%	0.653	49%	0.486	S	S	*	.	H	α-helix	trans	-58.8	-38.8	174.8	-75.2	174.2	-179.7	-179.1	2.4	112	L327 K328 E334 A335	L327-R331 VanDerWaalsContact O-CB 3.29Å; L327-R331 WeakPolarHBondContact O-CB 3.24Å; L327-R331 VanDerWaalsContact O-CG 3.23Å; L327-R331 WeakPolarHBondContact O-CG 3.35Å; L327-R331 PolarHBondContact O-N 3.22Å; K328-R331 PolarHBondContact O-N 3.45Å; R331-E334 PolarHBondContact O-N 3.48Å; R331-A335 VanDerWaalsContact O-CB 3.25Å; R331-A335 WeakPolarHBondContact O-CB 3.5Å; R331-A335 PolarHBondContact O-N 3.14Å
332	K	93.3	Very high	88.1	Confident	167 Å²	167	102.1 Å²	102.1	73%	0.726	46%	0.464	S	S	*	.	H	α-helix	trans	-65.8	-40.4	174.6	-170.1	173.3	-177.6	176.5	0	112.1	K328 K329 V330 A335 K336	K328-K332 WeakPolarHBondContact O-CB 3.44Å; K328-K332 PolarHBondContact O-N 3.19Å; K329-K332 PolarHBondContact O-N 2.94Å; V330-K332 VanDerWaalsContact C-N 3.3Å; V330-K332 PolarHBondContact O-N 3Å; K332-A335 PolarHBondContact O-N 3.04Å; K332-K336 PolarHBondContact O-N 3.42Å
333	K	92	Very high	88	Confident	166 Å²	166	100.4 Å²	100.4	72%	0.722	46%	0.456	S	S	*	.	H	α-helix	trans	-63.9	-45.2	172.4	-72.6	-173.9	176	-169.7	0	112	K329 V330 K336 Q337	K329-K333 PolarHBondContact O-N 3Å; V330-K333 WeakPolarHBondContact O-CB 3.35Å; V330-K333 PolarHBondContact O-N 2.98Å; V330-K333 VanDerWaalsContact O-N 3.13Å; K333-K336 PolarHBondContact O-N 2.82Å; K333-Q337 PolarHBondContact O-N 2.98Å
334	E	88.6	Confident	88.2	Confident	43 Å²	43	99.9 Å²	99.9	20%	0.201	45%	0.452	C	S	.	.	H	α-helix	trans	-62.5	-40.5	175.1	-76.7	-168.4	-148.9	0	0	112.5	K297 V330 R331 Q337 R338	K297-E334 WeakPolarHBondContact CE-OE2 3.25Å; V330-E334 PolarHBondContact O-N 2.96Å; R331-E334 PolarHBondContact O-N 3.48Å; E334-Q337 PolarHBondContact O-N 2.71Å; E334-R338 WeakPolarHBondContact O-CB 3.45Å; E334-R338 VanDerWaalsContact O-CG 3.23Å; E334-R338 WeakPolarHBondContact O-CG 3.32Å; E334-R338 PolarHBondContact O-N 3.28Å; E334-R338 IonicContact OE2-CZ 3.25Å; E334-R338 IonicContact OE2-NH2 3.67Å; E334-R338 PolarHBondContact OE2-NH2 3.45Å
335	A	89.3	Confident	88.1	Confident	58 Å²	58	98.8 Å²	98.8	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-65.9	-42.4	177.3	0	0	0	0	0	111.3	R331 K332 R338 W339	R331-A335 VanDerWaalsContact O-CB 3.25Å; R331-A335 WeakPolarHBondContact O-CB 3.5Å; R331-A335 PolarHBondContact O-N 3.14Å; K332-A335 PolarHBondContact O-N 3.04Å; A335-R338 PolarHBondContact O-N 3.25Å; A335-W339 WeakPolarHBondContact O-CB 3.48Å; A335-W339 PolarHBondContact O-N 3.35Å
336	K	90.7	Very high	87.9	Confident	138 Å²	138	102 Å²	102	60%	0.6	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-50.8	173	-171.8	-174.5	175.6	-172.4	0	111.1	K332 K333 R338 W339 D340	K332-K336 PolarHBondContact O-N 3.42Å; K333-K336 PolarHBondContact O-N 2.82Å; K336-R338 VanDerWaalsContact C-N 3.33Å; K336-R338 PolarHBondContact O-N 2.75Å; K336-W339 WeakPolarHBondContact O-CA 3.47Å; K336-W339 WeakPolarHBondContact O-CB 3.35Å; K336-W339 PolarHBondContact O-N 2.91Å; K336-D340 VanDerWaalsContact CE-OD2 3.24Å; K336-D340 WeakPolarHBondContact CE-OD2 3.3Å; K336-D340 VanDerWaalsContact O-CG 3.31Å; K336-D340 PolarHBondContact O-N 2.94Å
337	Q	84.7	Confident	87.8	Confident	105 Å²	105	96.5 Å²	96.5	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-57.3	-46.1	178.3	-173.4	-178	17.7	0	0	111.5	K333 E334 W339 D340 D341	K333-Q337 PolarHBondContact O-N 2.98Å; E334-Q337 PolarHBondContact O-N 2.71Å; Q337-W339 PolarHBondContact O-N 3.18Å; Q337-D340 PolarHBondContact O-N 3.4Å; Q337-D341 WeakPolarHBondContact CG-OD2 3.08Å; Q337-D341 VanDerWaalsContact O-CB 3.29Å; Q337-D341 WeakPolarHBondContact O-CB 3.31Å; Q337-D341 PolarHBondContact O-N 2.96Å
338	R	82.2	Confident	88	Confident	146 Å²	146	99.6 Å²	99.6	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-62.1	-30	175.7	-71.9	177.4	-153.3	-160.9	7.4	113.3	E334 A335 K336 R342	E334-R338 WeakPolarHBondContact O-CB 3.45Å; E334-R338 VanDerWaalsContact O-CG 3.23Å; E334-R338 WeakPolarHBondContact O-CG 3.32Å; E334-R338 PolarHBondContact O-N 3.28Å; E334-R338 IonicContact OE2-CZ 3.25Å; E334-R338 IonicContact OE2-NH2 3.67Å; E334-R338 PolarHBondContact OE2-NH2 3.45Å; A335-R338 PolarHBondContact O-N 3.25Å; K336-R338 VanDerWaalsContact C-N 3.33Å; K336-R338 PolarHBondContact O-N 2.75Å; R338-R342 VanDerWaalsContact O-CG 3.32Å; R338-R342 WeakPolarHBondContact O-CG 3.39Å; R338-R342 PolarHBondContact O-N 2.94Å
339	W	83.4	Confident	87.9	Confident	142 Å²	142	98 Å²	98	54%	0.538	45%	0.452	S	S	.	.	H	α-helix	trans	-73.7	-42.8	177.3	-175.8	-95.1	0	0	0	111.8	A335 K336 Q337 R342	A335-W339 WeakPolarHBondContact O-CB 3.48Å; A335-W339 PolarHBondContact O-N 3.35Å; K336-W339 WeakPolarHBondContact O-CA 3.47Å; K336-W339 WeakPolarHBondContact O-CB 3.35Å; K336-W339 PolarHBondContact O-N 2.91Å; Q337-W339 PolarHBondContact O-N 3.18Å; W339-R342 VanDerWaalsContact CE2-CZ 3.43Å; W339-R342 WeakPolarHBondContact O-CG 3.47Å; W339-R342 PolarHBondContact O-NE 2.87Å; W339-R342 PolarHBondContact O-NH2 3.44Å
340	D	77.8	Confident	87.7	Confident	78 Å²	78	97.2 Å²	97.2	42%	0.417	46%	0.455	S	S	.	.	H	α-helix	trans	-71.1	-41.6	178.8	-58.5	-17.5	0	0	0	110.4	K336 Q337 R342 K347	K336-D340 VanDerWaalsContact CE-OD2 3.24Å; K336-D340 WeakPolarHBondContact CE-OD2 3.3Å; K336-D340 VanDerWaalsContact O-CG 3.31Å; K336-D340 PolarHBondContact O-N 2.94Å; Q337-D340 PolarHBondContact O-N 3.4Å; D340-R342 VanDerWaalsContact C-N 3.31Å; D340-R342 PolarHBondContact O-N 2.93Å; D340-K347 WeakPolarHBondContact O-CE 3.42Å; D340-K347 PolarHBondContact O-NZ 2.95Å
341	D	79	Confident	87.8	Confident	73 Å²	73	97.8 Å²	97.8	39%	0.39	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	17.2	175.8	-72.9	-51.5	0	0	0	114.5	Q337 R355	Q337-D341 WeakPolarHBondContact CG-OD2 3.08Å; Q337-D341 VanDerWaalsContact O-CB 3.29Å; Q337-D341 WeakPolarHBondContact O-CB 3.31Å; Q337-D341 PolarHBondContact O-N 2.96Å; D341-R355 IonicContact OD1-CZ 2.75Å; D341-R355 VanDerWaalsContact OD1-CZ 3.28Å; D341-R355 IonicContact OD1-NH1 3.89Å; D341-R355 PolarHBondContact OD1-NH1 3.2Å; D341-R355 IonicContact OD1-NH2 3.94Å; D341-R355 PolarHBondContact OD1-NH2 3.03Å
342	R	85.8	Confident	87.8	Confident	31 Å²	31	90.5 Å²	90.5	12%	0.117	43%	0.428	C	S	.	.			trans	-57.9	141.7	174	-84	177.5	-65	145.8	5.7	110.8	R338 W339 D340 Q346 K347 E351	R338-R342 VanDerWaalsContact O-CG 3.32Å; R338-R342 WeakPolarHBondContact O-CG 3.39Å; R338-R342 PolarHBondContact O-N 2.94Å; W339-R342 VanDerWaalsContact CE2-CZ 3.43Å; W339-R342 WeakPolarHBondContact O-CG 3.47Å; W339-R342 PolarHBondContact O-NE 2.87Å; W339-R342 PolarHBondContact O-NH2 3.44Å; D340-R342 VanDerWaalsContact C-N 3.31Å; D340-R342 PolarHBondContact O-N 2.93Å; R342-Q346 PolarHBondContact NH1-O 3.19Å; R342-K347 HydrophobicContact CB-CD 4.41Å; R342-K347 HydrophobicContact CB-CG 3.94Å; R342-K347 WeakPolarHBondContact O-CE 3.27Å; R342-K347 PolarHBondContact O-NZ 3.44Å; R342-E351 IonicContact CZ-OE2 2.67Å; R342-E351 VanDerWaalsContact CZ-OE2 3.29Å; R342-E351 IonicContact NH1-OE2 2.68Å; R342-E351 PolarHBondContact NH1-OE2 2.89Å; R342-E351 IonicContact NH2-OE2 3.78Å; R342-E351 PolarHBondContact NH2-OE2 2.81Å
343	H	85.3	Confident	87.6	Confident	79 Å²	79	86 Å²	86	37%	0.366	41%	0.414	S	S	.	.			trans	-60.4	143.8	166.1	-172.6	-96.2	0	0	0	110.4	S345 Q346 D363	H343-S345 PolarHBondContact ND1-N 2.96Å; H343-S345 PolarHBondContact ND1-OG 2.95Å; H343-S345 PolarHBondContact O-N 3.2Å; H343-S345 VanDerWaalsContact O-N 3.08Å; H343-Q346 PolarHBondContact O-N 3.24Å; H343-D363 IonicContact CE1-OD2 2.67Å; H343-D363 IonicContact NE2-OD2 3.28Å; H343-D363 PolarHBondContact NE2-OD2 3.33Å
344	W	90.8	Very high	87	Confident	28 Å²	28	84.4 Å²	84.4	11%	0.106	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-55.6	-33.1	-173.3	60.1	-98	0	0	0	113.1	Q346 K347 M352 F360 D363 Y364 R378	W344-Q346 PolarHBondContact O-N 2.74Å; W344-K347 PolarHBondContact O-N 3.24Å; W344-M352 HydrophobicContact CB-CE 3.8Å; W344-M352 HydrophobicContact CB-SD 3.67Å; W344-F360 AromaticContact CD2-CD2 3.46Å; W344-F360 HydrophobicContact CD2-CD2 3.46Å; W344-F360 VanDerWaalsContact CD2-CD2 3.46Å; W344-F360 HydrophobicContact CD2-CE2 4.04Å; W344-F360 HydrophobicContact CD2-CG 4.49Å; W344-F360 AromaticContact CE2-CD2 3.65Å; W344-F360 AromaticContact CE3-CD2 3.65Å; W344-F360 HydrophobicContact CE3-CD2 3.65Å; W344-F360 AromaticContact CE3-CE2 3.78Å; W344-F360 HydrophobicContact CE3-CE2 3.78Å; W344-F360 HydrophobicContact CG-CB 4.32Å; W344-F360 AromaticContact CG-CD2 3.9Å; W344-F360 HydrophobicContact CG-CD2 3.9Å; W344-F360 HydrophobicContact CH2-CD2 4.25Å; W344-F360 AromaticContact CH2-CE2 3.94Å; W344-F360 HydrophobicContact CH2-CE2 3.94Å; W344-F360 HydrophobicContact CZ2-CD2 4.06Å; W344-F360 HydrophobicContact CZ2-CE2 4.15Å; W344-F360 HydrophobicContact CZ3-CD2 4.06Å; W344-F360 AromaticContact CZ3-CE2 3.74Å; W344-F360 HydrophobicContact CZ3-CE2 3.74Å; W344-D363 PolarHBondContact NE1-OD2 2.96Å; W344-Y364 AromaticContact CH2-CE2 3.67Å; W344-Y364 HydrophobicContact CH2-CE2 3.67Å; W344-Y364 AromaticContact CH2-CZ 3.96Å; W344-Y364 WeakPolarHBondContact CH2-OH 3.34Å; W344-Y364 HydrophobicContact CZ2-CD2 4.46Å; W344-Y364 AromaticContact CZ2-CE2 3.59Å; W344-Y364 HydrophobicContact CZ2-CE2 3.59Å; W344-R378 PolarHBondContact O-NH1 2.94Å
345	S	88.1	Confident	86.5	Confident	71 Å²	71	87.8 Å²	87.8	50%	0.497	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-63.2	-13.4	178.3	66.6	0	0	0	0	114.6	H343	H343-S345 PolarHBondContact ND1-N 2.96Å; H343-S345 PolarHBondContact ND1-OG 2.95Å; H343-S345 PolarHBondContact O-N 3.2Å; H343-S345 VanDerWaalsContact O-N 3.08Å
346	Q	89	Confident	86.3	Confident	136 Å²	136	85.1 Å²	85.1	64%	0.636	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-108.8	-0.6	175.2	-59.2	179.3	2	0	0	113.1	R342 H343 W344	R342-Q346 PolarHBondContact NH1-O 3.19Å; H343-Q346 PolarHBondContact O-N 3.24Å; W344-Q346 PolarHBondContact O-N 2.74Å
347	K	90.3	Very high	86.1	Confident	14 Å²	14	79.1 Å²	79.1	6%	0.061	38%	0.376	C	S	.	.	S	Bend	trans	-96.9	155.1	174.9	-68.3	-178.9	168.1	175.9	0	109.7	D340 R342 W344 E351 M352 D356 R378	D340-K347 WeakPolarHBondContact O-CE 3.42Å; D340-K347 PolarHBondContact O-NZ 2.95Å; R342-K347 HydrophobicContact CB-CD 4.41Å; R342-K347 HydrophobicContact CB-CG 3.94Å; R342-K347 WeakPolarHBondContact O-CE 3.27Å; R342-K347 PolarHBondContact O-NZ 3.44Å; W344-K347 PolarHBondContact O-N 3.24Å; K347-E351 HydrophobicContact CB-CB 4.38Å; K347-M352 HydrophobicContact CB-SD 4.38Å; K347-D356 IonicContact NZ-OD1 2.74Å; K347-D356 PolarHBondContact NZ-OD1 2.97Å; K347-D356 IonicContact NZ-OD2 2.75Å; K347-D356 PolarHBondContact NZ-OD2 3.45Å; K347-R378 VanDerWaalsContact O-CZ 3.27Å; K347-R378 PolarHBondContact O-NH1 2.76Å; K347-R378 PolarHBondContact O-NH2 3.26Å
348	K	91.4	Very high	85.7	Confident	132 Å²	132	81 Å²	81	57%	0.574	38%	0.379	S	S	*	.			trans	-81.7	171.1	164.9	-61.5	-179.4	179.2	177	0	110.7	D350 E351 M352	K348-D350 WeakPolarHBondContact CB-OD1 3.43Å; K348-E351 HydrophobicContact CB-CG 4.26Å; K348-E351 PolarHBondContact O-N 3.15Å; K348-M352 WeakPolarHBondContact O-CG 3.39Å
349	L	90.2	Very high	85.5	Confident	75 Å²	75	76 Å²	76	39%	0.393	36%	0.362	S	S	.	.	S	Bend	trans	-67.2	-39.9	-178.8	-177.5	66	0	0	0	112.8	E351 M352 W357 E382	L349-E351 VanDerWaalsContact C-N 3.28Å; L349-E351 PolarHBondContact O-N 3.08Å; L349-M352 WeakPolarHBondContact O-CB 3.36Å; L349-M352 PolarHBondContact O-N 3.17Å; L349-W357 HydrophobicContact CD1-CH2 3.58Å; L349-W357 HydrophobicContact CD1-CZ2 3.61Å; L349-E382 HydrophobicContact CD2-CB 4.46Å
350	D	90.5	Very high	85.7	Confident	135 Å²	135	69.2 Å²	69.2	72%	0.722	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.3	175.6	55.8	-42.8	0	0	0	113.3	K348	K348-D350 WeakPolarHBondContact CB-OD1 3.43Å
351	E	91.1	Very high	85.9	Confident	63 Å²	63	67.4 Å²	67.4	29%	0.294	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.4	175.3	-62.5	-179.7	178.3	0	0	113.6	R342 K347 K348 L349 T353	R342-E351 IonicContact CZ-OE2 2.67Å; R342-E351 VanDerWaalsContact CZ-OE2 3.29Å; R342-E351 IonicContact NH1-OE2 2.68Å; R342-E351 PolarHBondContact NH1-OE2 2.89Å; R342-E351 IonicContact NH2-OE2 3.78Å; R342-E351 PolarHBondContact NH2-OE2 2.81Å; K347-E351 HydrophobicContact CB-CB 4.38Å; K348-E351 HydrophobicContact CB-CG 4.26Å; K348-E351 PolarHBondContact O-N 3.15Å; L349-E351 VanDerWaalsContact C-N 3.28Å; L349-E351 PolarHBondContact O-N 3.08Å; E351-T353 PolarHBondContact O-N 2.88Å
352	M	89.9	Confident	85.7	Confident	21 Å²	21	69.2 Å²	69.2	10%	0.103	33%	0.33	C	S	.	.			trans	-78.9	119.3	-175.6	-72.4	-70.7	-68.6	0	0	112.6	W344 K347 K348 L349 D356 W357 R378	W344-M352 HydrophobicContact CB-CE 3.8Å; W344-M352 HydrophobicContact CB-SD 3.67Å; K347-M352 HydrophobicContact CB-SD 4.38Å; K348-M352 WeakPolarHBondContact O-CG 3.39Å; L349-M352 WeakPolarHBondContact O-CB 3.36Å; L349-M352 PolarHBondContact O-N 3.17Å; M352-D356 HydrophobicContact CE-CB 3.54Å; M352-D356 HydrophobicContact SD-CB 3.76Å; M352-W357 HydrophobicContact CB-CD2 4.4Å; M352-W357 HydrophobicContact CB-CZ2 3.77Å; M352-W357 HydrophobicContact CE-CD2 3.57Å; M352-W357 HydrophobicContact CE-CE3 3.59Å; M352-W357 HydrophobicContact CE-CG 4.11Å; M352-W357 HydrophobicContact CE-CH2 4.23Å; M352-W357 HydrophobicContact CE-CZ2 4.18Å; M352-W357 HydrophobicContact CE-CZ3 3.93Å; M352-W357 HydrophobicContact CG-CH2 4.4Å; M352-W357 HydrophobicContact CG-CZ2 3.9Å; M352-R378 PolarHBondContact SD-NH1 2.89Å
353	T	89.8	Confident	85.5	Confident	72 Å²	72	71.6 Å²	71.6	44%	0.442	35%	0.345	S	S	.	.			trans	-89.9	164.2	171.5	68.4	0	0	0	0	112.1	E351 R355 D356 W357	E351-T353 PolarHBondContact O-N 2.88Å; T353-R355 PolarHBondContact O-N 2.96Å; T353-R355 VanDerWaalsContact O-N 3.16Å; T353-D356 WeakPolarHBondContact CB-OD2 3.15Å; T353-D356 PolarHBondContact N-OD2 3.1Å; T353-D356 WeakPolarHBondContact O-CA 3.44Å; T353-D356 WeakPolarHBondContact O-CB 3.44Å; T353-D356 PolarHBondContact O-N 2.98Å; T353-D356 VanDerWaalsContact OG1-CG 3.27Å; T353-D356 PolarHBondContact OG1-N 3.06Å; T353-D356 PolarHBondContact OG1-OD2 3.11Å; T353-W357 VanDerWaalsContact O-CD1 3.24Å; T353-W357 PolarHBondContact O-N 3.26Å
354	D	78.6	Confident	85.6	Confident	133 Å²	133	71 Å²	71	71%	0.711	34%	0.34	S	S	*	.	H	α-helix	trans	-56.8	-30.8	173.9	-66.6	-23.3	0	0	0	113.4	W357 R358	D354-W357 PolarHBondContact O-N 3.46Å; D354-R358 PolarHBondContact O-N 2.96Å
355	R	79.4	Confident	85.3	Confident	114 Å²	114	72.6 Å²	72.6	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-44.1	171.5	173.9	176.1	168.9	-121.6	11.4	111.2	D341 T353 W357 R358 I359	D341-R355 IonicContact OD1-CZ 2.75Å; D341-R355 VanDerWaalsContact OD1-CZ 3.28Å; D341-R355 IonicContact OD1-NH1 3.89Å; D341-R355 PolarHBondContact OD1-NH1 3.2Å; D341-R355 IonicContact OD1-NH2 3.94Å; D341-R355 PolarHBondContact OD1-NH2 3.03Å; T353-R355 PolarHBondContact O-N 2.96Å; T353-R355 VanDerWaalsContact O-N 3.16Å; R355-W357 VanDerWaalsContact C-N 3.3Å; R355-R358 WeakPolarHBondContact O-CB 3.39Å; R355-R358 PolarHBondContact O-N 3.4Å; R355-R358 VanDerWaalsContact O-N 3.14Å; R355-I359 HydrophobicContact CG-CD1 4.01Å; R355-I359 WeakPolarHBondContact O-CG1 3.49Å; R355-I359 PolarHBondContact O-N 2.95Å
356	D	85.6	Confident	85.1	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.011	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-37	177.9	-57.6	-54.4	0	0	0	111	K347 M352 T353 R358 I359 F360	K347-D356 IonicContact NZ-OD1 2.74Å; K347-D356 PolarHBondContact NZ-OD1 2.97Å; K347-D356 IonicContact NZ-OD2 2.75Å; K347-D356 PolarHBondContact NZ-OD2 3.45Å; M352-D356 HydrophobicContact CE-CB 3.54Å; M352-D356 HydrophobicContact SD-CB 3.76Å; T353-D356 WeakPolarHBondContact CB-OD2 3.15Å; T353-D356 PolarHBondContact N-OD2 3.1Å; T353-D356 WeakPolarHBondContact O-CA 3.44Å; T353-D356 WeakPolarHBondContact O-CB 3.44Å; T353-D356 PolarHBondContact O-N 2.98Å; T353-D356 VanDerWaalsContact OG1-CG 3.27Å; T353-D356 PolarHBondContact OG1-N 3.06Å; T353-D356 PolarHBondContact OG1-OD2 3.11Å; D356-R358 VanDerWaalsContact C-N 3.31Å; D356-R358 PolarHBondContact O-N 3.04Å; D356-I359 PolarHBondContact O-N 3Å; D356-F360 VanDerWaalsContact O-CB 3.25Å; D356-F360 WeakPolarHBondContact O-CB 3.4Å; D356-F360 PolarHBondContact O-N 3.45Å
357	W	85.2	Confident	84.7	Confident	11 Å²	11	67.1 Å²	67.1	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-27.3	171.7	-69.1	122.1	0	0	0	113.7	L349 M352 T353 D354 R355 F360 R361 N375 P376 R378	L349-W357 HydrophobicContact CD1-CH2 3.58Å; L349-W357 HydrophobicContact CD1-CZ2 3.61Å; M352-W357 HydrophobicContact CB-CD2 4.4Å; M352-W357 HydrophobicContact CB-CZ2 3.77Å; M352-W357 HydrophobicContact CE-CD2 3.57Å; M352-W357 HydrophobicContact CE-CE3 3.59Å; M352-W357 HydrophobicContact CE-CG 4.11Å; M352-W357 HydrophobicContact CE-CH2 4.23Å; M352-W357 HydrophobicContact CE-CZ2 4.18Å; M352-W357 HydrophobicContact CE-CZ3 3.93Å; M352-W357 HydrophobicContact CG-CH2 4.4Å; M352-W357 HydrophobicContact CG-CZ2 3.9Å; T353-W357 VanDerWaalsContact O-CD1 3.24Å; T353-W357 PolarHBondContact O-N 3.26Å; D354-W357 PolarHBondContact O-N 3.46Å; R355-W357 VanDerWaalsContact C-N 3.3Å; W357-F360 HydrophobicContact CE3-CB 4.46Å; W357-F360 HydrophobicContact CE3-CG 4.38Å; W357-R361 WeakPolarHBondContact O-CG 3.17Å; W357-R361 PolarHBondContact O-N 3.04Å; W357-R361 PolarHBondContact O-NH1 3.17Å; W357-R361 VanDerWaalsContact O-NH1 3.11Å; W357-N375 HydrophobicContact CD2-CB 3.98Å; W357-N375 HydrophobicContact CE3-CB 4.22Å; W357-N375 HydrophobicContact CH2-CB 4.01Å; W357-N375 HydrophobicContact CZ2-CB 3.77Å; W357-N375 HydrophobicContact CZ3-CB 4.24Å; W357-N375 PolarHBondContact NE1-ND2 3.41Å; W357-P376 HydrophobicContact CE3-CG 3.82Å; W357-P376 WeakPolarHBondContact CH2-O 3.27Å; W357-P376 HydrophobicContact CZ3-CG 3.91Å; W357-P376 WeakPolarHBondContact CZ3-O 3.38Å; W357-R378 HydrophobicContact CH2-CG 3.8Å; W357-R378 HydrophobicContact CZ3-CG 3.78Å
358	R	76.6	Confident	84.2	Confident	146 Å²	146	68.5 Å²	68.5	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-72.9	-48.2	171.1	-162.2	-177.6	69.4	-143.9	-1.5	111.1	D354 R355 D356 F360 R361 E362	D354-R358 PolarHBondContact O-N 2.96Å; R355-R358 WeakPolarHBondContact O-CB 3.39Å; R355-R358 PolarHBondContact O-N 3.4Å; R355-R358 VanDerWaalsContact O-N 3.14Å; D356-R358 VanDerWaalsContact C-N 3.31Å; D356-R358 PolarHBondContact O-N 3.04Å; R358-F360 VanDerWaalsContact C-N 3.31Å; R358-F360 PolarHBondContact O-N 2.98Å; R358-R361 PolarHBondContact O-N 3.4Å; R358-R361 VanDerWaalsContact O-N 3.08Å; R358-E362 WeakPolarHBondContact CD-OE1 3.48Å; R358-E362 WeakPolarHBondContact CG-OE1 3.45Å; R358-E362 IonicContact NE-OE1 3.29Å; R358-E362 PolarHBondContact NE-OE1 3.47Å; R358-E362 WeakPolarHBondContact O-CG 3.21Å; R358-E362 PolarHBondContact O-N 2.9Å
359	I	77.7	Confident	83.4	Confident	39 Å²	39	67.7 Å²	67.7	20%	0.2	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-45.5	175.4	-65.5	165.9	0	0	0	110.2	R355 D356 R361 E362 D363	R355-I359 HydrophobicContact CG-CD1 4.01Å; R355-I359 WeakPolarHBondContact O-CG1 3.49Å; R355-I359 PolarHBondContact O-N 2.95Å; D356-I359 PolarHBondContact O-N 3Å; I359-R361 VanDerWaalsContact C-N 3.29Å; I359-R361 PolarHBondContact O-N 2.99Å; I359-E362 WeakPolarHBondContact O-CB 3.44Å; I359-E362 PolarHBondContact O-N 2.91Å; I359-E362 VanDerWaalsContact O-N 3.09Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.44Å; I359-D363 VanDerWaalsContact O-CG 3.25Å; I359-D363 PolarHBondContact O-N 3.22Å
360	F	87.1	Confident	82.4	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-54.7	-43.1	174.7	-176.2	-79.4	0	0	0	112.8	W344 D356 W357 R358 Y364 P376 I377 R378	W344-F360 AromaticContact CD2-CD2 3.46Å; W344-F360 HydrophobicContact CD2-CD2 3.46Å; W344-F360 VanDerWaalsContact CD2-CD2 3.46Å; W344-F360 HydrophobicContact CD2-CE2 4.04Å; W344-F360 HydrophobicContact CD2-CG 4.49Å; W344-F360 AromaticContact CE2-CD2 3.65Å; W344-F360 AromaticContact CE3-CD2 3.65Å; W344-F360 HydrophobicContact CE3-CD2 3.65Å; W344-F360 AromaticContact CE3-CE2 3.78Å; W344-F360 HydrophobicContact CE3-CE2 3.78Å; W344-F360 HydrophobicContact CG-CB 4.32Å; W344-F360 AromaticContact CG-CD2 3.9Å; W344-F360 HydrophobicContact CG-CD2 3.9Å; W344-F360 HydrophobicContact CH2-CD2 4.25Å; W344-F360 AromaticContact CH2-CE2 3.94Å; W344-F360 HydrophobicContact CH2-CE2 3.94Å; W344-F360 HydrophobicContact CZ2-CD2 4.06Å; W344-F360 HydrophobicContact CZ2-CE2 4.15Å; W344-F360 HydrophobicContact CZ3-CD2 4.06Å; W344-F360 AromaticContact CZ3-CE2 3.74Å; W344-F360 HydrophobicContact CZ3-CE2 3.74Å; D356-F360 VanDerWaalsContact O-CB 3.25Å; D356-F360 WeakPolarHBondContact O-CB 3.4Å; D356-F360 PolarHBondContact O-N 3.45Å; W357-F360 HydrophobicContact CE3-CB 4.46Å; W357-F360 HydrophobicContact CE3-CG 4.38Å; R358-F360 VanDerWaalsContact C-N 3.31Å; R358-F360 PolarHBondContact O-N 2.98Å; F360-Y364 AromaticContact CD1-CD2 3.96Å; F360-Y364 HydrophobicContact CD1-CD2 3.96Å; F360-Y364 HydrophobicContact CD2-CD2 4.36Å; F360-Y364 HydrophobicContact CD2-CE2 4.19Å; F360-Y364 AromaticContact CE1-CD2 3.59Å; F360-Y364 HydrophobicContact CE1-CD2 3.59Å; F360-Y364 AromaticContact CE1-CE2 3.96Å; F360-Y364 HydrophobicContact CE1-CE2 3.96Å; F360-Y364 HydrophobicContact CE2-CD2 4.02Å; F360-Y364 AromaticContact CE2-CE2 3.59Å; F360-Y364 HydrophobicContact CE2-CE2 3.59Å; F360-Y364 HydrophobicContact CG-CD2 4.32Å; F360-Y364 AromaticContact CZ-CD2 3.62Å; F360-Y364 HydrophobicContact CZ-CD2 3.62Å; F360-Y364 AromaticContact CZ-CE2 3.47Å; F360-Y364 HydrophobicContact CZ-CE2 3.47Å; F360-Y364 VanDerWaalsContact CZ-CE2 3.47Å; F360-Y364 WeakPolarHBondContact O-CD2 3.42Å; F360-Y364 PolarHBondContact O-N 2.77Å; F360-P376 HydrophobicContact CD1-CB 4.21Å; F360-P376 HydrophobicContact CD1-CG 3.46Å; F360-P376 VanDerWaalsContact CD1-CG 3.46Å; F360-P376 HydrophobicContact CE1-CB 3.75Å; F360-P376 HydrophobicContact CE1-CG 3.52Å; F360-P376 HydrophobicContact CG-CG 4.47Å; F360-I377 WeakPolarHBondContact CZ-O 3.2Å; F360-R378 HydrophobicContact CD2-CG 4.13Å; F360-R378 HydrophobicContact CE2-CB 4.25Å; F360-R378 HydrophobicContact CE2-CG 3.64Å; F360-R378 HydrophobicContact CZ-CG 4.25Å
361	R	82.6	Confident	81.6	Confident	40 Å²	40	60.7 Å²	60.7	15%	0.151	31%	0.312	C	S	.	.	H	α-helix	trans	-70.1	-40.3	176.3	-74.3	-177.9	-166.5	101.2	-9.7	111.4	W357 R358 I359 Y364 S365 I366 P376	W357-R361 WeakPolarHBondContact O-CG 3.17Å; W357-R361 PolarHBondContact O-N 3.04Å; W357-R361 PolarHBondContact O-NH1 3.17Å; W357-R361 VanDerWaalsContact O-NH1 3.11Å; R358-R361 PolarHBondContact O-N 3.4Å; R358-R361 VanDerWaalsContact O-N 3.08Å; I359-R361 VanDerWaalsContact C-N 3.29Å; I359-R361 PolarHBondContact O-N 2.99Å; R361-Y364 CarbonylContact O-C 3.57Å; R361-S365 CarbonylContact O-C 3.56Å; R361-S365 WeakPolarHBondContact O-CA 3.41Å; R361-S365 PolarHBondContact O-N 3.48Å; R361-I366 HydrophobicContact CB-CB 4.22Å; R361-I366 HydrophobicContact CG-CB 4.25Å; R361-I366 PolarHBondContact O-N 2.98Å; R361-P376 HydrophobicContact CG-CG 4.34Å
362	E	75.5	Confident	81.1	Confident	111 Å²	111	64.1 Å²	64.1	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-49	174.3	-70.4	165.8	-162.3	0	0	111.1	R358 I359 Y364 S365	R358-E362 WeakPolarHBondContact CD-OE1 3.48Å; R358-E362 WeakPolarHBondContact CG-OE1 3.45Å; R358-E362 IonicContact NE-OE1 3.29Å; R358-E362 PolarHBondContact NE-OE1 3.47Å; R358-E362 WeakPolarHBondContact O-CG 3.21Å; R358-E362 PolarHBondContact O-N 2.9Å; I359-E362 WeakPolarHBondContact O-CB 3.44Å; I359-E362 PolarHBondContact O-N 2.91Å; I359-E362 VanDerWaalsContact O-N 3.09Å; E362-Y364 PolarHBondContact O-N 3.42Å; E362-S365 WeakPolarHBondContact O-CA 3.21Å; E362-S365 PolarHBondContact O-N 3.16Å
363	D	81.1	Confident	81	Confident	82 Å²	82	64.6 Å²	64.6	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-43.2	180	-65.6	-34.9	0	0	0	113	H343 W344 I359 S365	H343-D363 IonicContact CE1-OD2 2.67Å; H343-D363 IonicContact NE2-OD2 3.28Å; H343-D363 PolarHBondContact NE2-OD2 3.33Å; W344-D363 PolarHBondContact NE1-OD2 2.96Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.44Å; I359-D363 VanDerWaalsContact O-CG 3.25Å; I359-D363 PolarHBondContact O-N 3.22Å; D363-S365 PolarHBondContact O-N 3.06Å
364	Y	86.2	Confident	81.1	Confident	65 Å²	65	62.1 Å²	62.1	26%	0.255	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.4	174.7	-73.7	-64.9	0	0	0	113.3	W344 F360 R361 E362 I366 P403 R406	W344-Y364 AromaticContact CH2-CE2 3.67Å; W344-Y364 HydrophobicContact CH2-CE2 3.67Å; W344-Y364 AromaticContact CH2-CZ 3.96Å; W344-Y364 WeakPolarHBondContact CH2-OH 3.34Å; W344-Y364 HydrophobicContact CZ2-CD2 4.46Å; W344-Y364 AromaticContact CZ2-CE2 3.59Å; W344-Y364 HydrophobicContact CZ2-CE2 3.59Å; F360-Y364 AromaticContact CD1-CD2 3.96Å; F360-Y364 HydrophobicContact CD1-CD2 3.96Å; F360-Y364 HydrophobicContact CD2-CD2 4.36Å; F360-Y364 HydrophobicContact CD2-CE2 4.19Å; F360-Y364 AromaticContact CE1-CD2 3.59Å; F360-Y364 HydrophobicContact CE1-CD2 3.59Å; F360-Y364 AromaticContact CE1-CE2 3.96Å; F360-Y364 HydrophobicContact CE1-CE2 3.96Å; F360-Y364 HydrophobicContact CE2-CD2 4.02Å; F360-Y364 AromaticContact CE2-CE2 3.59Å; F360-Y364 HydrophobicContact CE2-CE2 3.59Å; F360-Y364 HydrophobicContact CG-CD2 4.32Å; F360-Y364 AromaticContact CZ-CD2 3.62Å; F360-Y364 HydrophobicContact CZ-CD2 3.62Å; F360-Y364 AromaticContact CZ-CE2 3.47Å; F360-Y364 HydrophobicContact CZ-CE2 3.47Å; F360-Y364 VanDerWaalsContact CZ-CE2 3.47Å; F360-Y364 WeakPolarHBondContact O-CD2 3.42Å; F360-Y364 PolarHBondContact O-N 2.77Å; R361-Y364 CarbonylContact O-C 3.57Å; E362-Y364 PolarHBondContact O-N 3.42Å; Y364-I366 PolarHBondContact O-N 2.8Å; Y364-P403 HydrophobicContact CD1-CG 4.07Å; Y364-R406 VanDerWaalsContact CZ-CZ 3.48Å; Y364-R406 PolarHBondContact OH-NH2 3.33Å
365	S	84.6	Confident	81.9	Confident	62 Å²	62	59 Å²	59	43%	0.434	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	34.8	-177.6	-54.1	0	0	0	0	114.8	R361 E362 D363 G617	R361-S365 CarbonylContact O-C 3.56Å; R361-S365 WeakPolarHBondContact O-CA 3.41Å; R361-S365 PolarHBondContact O-N 3.48Å; E362-S365 WeakPolarHBondContact O-CA 3.21Å; E362-S365 PolarHBondContact O-N 3.16Å; D363-S365 PolarHBondContact O-N 3.06Å; S365-G617 WeakPolarHBondContact O-CA 3.27Å; S365-G617 PolarHBondContact O-N 3.29Å
366	I	85.2	Confident	82.6	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.7	-179.7	-50.3	179.9	0	0	0	109.3	R361 Y364 T368 P403 R406 Q407 V614 Y615 I616	R361-I366 HydrophobicContact CB-CB 4.22Å; R361-I366 HydrophobicContact CG-CB 4.25Å; R361-I366 PolarHBondContact O-N 2.98Å; Y364-I366 PolarHBondContact O-N 2.8Å; I366-T368 HydrophobicContact CG2-CG2 4.14Å; I366-P403 HydrophobicContact CD1-CB 4.36Å; I366-P403 WeakPolarHBondContact CD1-O 3.11Å; I366-P403 HydrophobicContact CG1-CB 4.19Å; I366-R406 HydrophobicContact CD1-CB 4.33Å; I366-Q407 HydrophobicContact CD1-CB 4.25Å; I366-Q407 HydrophobicContact CG2-CB 3.84Å; I366-Q407 HydrophobicContact CG2-CG 3.88Å; I366-V614 HydrophobicContact CG2-CG1 4.08Å; I366-Y615 WeakPolarHBondContact CA-O 3.43Å; I366-I616 HydrophobicContact CB-CD1 4.25Å; I366-I616 HydrophobicContact CG1-CD1 3.85Å; I366-I616 HydrophobicContact CG2-CD1 4.04Å
367	T	80.3	Confident	83	Confident	86 Å²	86	53.7 Å²	53.7	53%	0.528	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.2	169.6	-62.4	0	0	0	0	109.9	Y615	T367-Y615 PolarHBondContact N-O 2.87Å; T367-Y615 PolarHBondContact O-N 3.36Å
368	T	79.9	Confident	83.4	Confident	43 Å²	43	54 Å²	54	26%	0.264	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.6	-176.3	55.6	0	0	0	0	113.3	I366 I373 Q407 V613 V614	I366-T368 HydrophobicContact CG2-CG2 4.14Å; T368-I373 HydrophobicContact CG2-CG2 4.23Å; T368-Q407 HydrophobicContact CG2-CG 3.57Å; T368-V613 CarbonylContact C-O 3.57Å; T368-V613 WeakPolarHBondContact CA-O 3.21Å; T368-V614 HydrophobicContact CG2-CG2 4.46Å
369	K	74.9	Confident	84.1	Confident	114 Å²	114	48.9 Å²	48.9	50%	0.496	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153	167.3	-57.5	177.9	-178.9	165.8	0	110.1	A612 V613 Y615	K369-A612 CarbonylContact O-C 3.27Å; K369-A612 WeakPolarHBondContact O-CA 3.37Å; K369-V613 HydrophobicContact CB-CB 4.04Å; K369-V613 HydrophobicContact CB-CG2 4.15Å; K369-V613 PolarHBondContact N-O 2.84Å; K369-V613 PolarHBondContact O-N 3.39Å; K369-Y615 HydrophobicContact CD-CE2 3.91Å; K369-Y615 HydrophobicContact CG-CE2 4.21Å; K369-Y615 PolarHBondContact NZ-OH 3.31Å; K369-Y615 VanDerWaalsContact NZ-OH 3.09Å
370	G	69.3	Low	84.8	Confident	41 Å²	41	47.8 Å²	47.8	42%	0.423	26%	0.256	S	S	.	.	S	Bend	trans	113.2	156.7	-174.8	0	0	0	0	0	111.9	I373	G370-I373 WeakPolarHBondContact O-CG1 3.37Å
371	G	72.8	Confident	84.9	Confident	22 Å²	22	57 Å²	57	23%	0.227	30%	0.296	C	S	.	.	S	Bend	trans	-69.3	153.4	-179.9	0	0	0	0	0	113	I373 R416 E570	G371-I373 PolarHBondContact O-N 3.27Å; G371-I373 VanDerWaalsContact O-N 3.09Å; G371-R416 PolarHBondContact O-NH1 3.2Å; G371-R416 PolarHBondContact O-NH2 3.38Å; G371-E570 PolarHBondContact N-OE2 2.97Å
372	K	81.1	Confident	85	Confident	136 Å²	136	58.5 Å²	58.5	59%	0.591	31%	0.305	S	S	*	.	S	Bend	trans	39	56.7	168	-57.5	177.3	178.8	-177.3	0	114.2	R416 D571 P572	K372-R416 PolarHBondContact O-NH1 2.9Å; K372-D571 IonicContact NZ-OD2 2.89Å; K372-D571 PolarHBondContact NZ-OD2 2.77Å; K372-P572 HydrophobicContact CB-CG 3.54Å; K372-P572 HydrophobicContact CD-CG 3.9Å; K372-P572 HydrophobicContact CG-CG 4.39Å
373	I	87.6	Confident	85.5	Confident	30 Å²	30	55.7 Å²	55.7	15%	0.154	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.1	127.8	-176.3	-59.1	-62.7	0	0	0	110.6	T368 G370 G371 I411 A612	T368-I373 HydrophobicContact CG2-CG2 4.23Å; G370-I373 WeakPolarHBondContact O-CG1 3.37Å; G371-I373 PolarHBondContact O-N 3.27Å; G371-I373 VanDerWaalsContact O-N 3.09Å; I373-I411 HydrophobicContact CG2-CD1 4.23Å; I373-I411 HydrophobicContact CG2-CG1 4.46Å; I373-A612 HydrophobicContact CD1-CB 3.63Å
374	P	92.8	Very high	85.6	Confident	20 Å²	20	57 Å²	57	13%	0.13	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62.4	154.7	177.4	24.1	-34	0	0	0	112.9	Q407 P410 I411	P374-Q407 PolarHBondContact O-NE2 3.46Å; P374-P410 HydrophobicContact CB-CB 3.89Å; P374-P410 HydrophobicContact CG-CB 3.84Å; P374-I411 HydrophobicContact CG-CB 4.41Å; P374-I411 HydrophobicContact CG-CG1 3.7Å
375	N	93.6	Very high	85.9	Confident	69 Å²	69	54.6 Å²	54.6	37%	0.369	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-67.9	138.7	179.3	-71.7	-31.6	0	0	0	111.7	W357	W357-N375 HydrophobicContact CD2-CB 3.98Å; W357-N375 HydrophobicContact CE3-CB 4.22Å; W357-N375 HydrophobicContact CH2-CB 4.01Å; W357-N375 HydrophobicContact CZ2-CB 3.77Å; W357-N375 HydrophobicContact CZ3-CB 4.24Å; W357-N375 PolarHBondContact NE1-ND2 3.41Å
376	P	94.5	Very high	86.3	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.013	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72.5	155.2	-177	29.1	-36	0	0	0	113.2	W357 F360 R361 R378 R406 Q407	W357-P376 HydrophobicContact CE3-CG 3.82Å; W357-P376 WeakPolarHBondContact CH2-O 3.27Å; W357-P376 HydrophobicContact CZ3-CG 3.91Å; W357-P376 WeakPolarHBondContact CZ3-O 3.38Å; F360-P376 HydrophobicContact CD1-CB 4.21Å; F360-P376 HydrophobicContact CD1-CG 3.46Å; F360-P376 VanDerWaalsContact CD1-CG 3.46Å; F360-P376 HydrophobicContact CE1-CB 3.75Å; F360-P376 HydrophobicContact CE1-CG 3.52Å; F360-P376 HydrophobicContact CG-CG 4.47Å; R361-P376 HydrophobicContact CG-CG 4.34Å; P376-R378 PolarHBondContact O-N 3.45Å; P376-R406 CarbonylContact C-O 3.57Å; P376-R406 WeakPolarHBondContact CA-O 3.42Å; P376-R406 HydrophobicContact CB-CB 4.21Å; P376-R406 WeakPolarHBondContact CB-O 3.4Å; P376-Q407 HydrophobicContact CB-CB 4.37Å
377	I	95.2	Very high	86.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-67.8	121.7	178.2	-55.8	-178.5	0	0	0	110.4	F360 N379 W380 Y383 P401 R406 I409 P410	F360-I377 WeakPolarHBondContact CZ-O 3.2Å; I377-N379 VanDerWaalsContact CG2-O 3.25Å; I377-N379 WeakPolarHBondContact CG2-O 3.39Å; I377-W380 HydrophobicContact CD1-CZ3 4.19Å; I377-Y383 HydrophobicContact CB-CG 4.47Å; I377-Y383 HydrophobicContact CD1-CD1 3.61Å; I377-Y383 HydrophobicContact CD1-CE1 3.88Å; I377-Y383 HydrophobicContact CD1-CG 4.05Å; I377-Y383 HydrophobicContact CG1-CD1 3.81Å; I377-Y383 HydrophobicContact CG1-CD2 3.95Å; I377-Y383 HydrophobicContact CG1-CE1 4.08Å; I377-Y383 HydrophobicContact CG1-CE2 4.21Å; I377-Y383 HydrophobicContact CG1-CG 3.75Å; I377-Y383 HydrophobicContact CG2-CG 4.24Å; I377-P401 HydrophobicContact CB-CG 4.42Å; I377-P401 HydrophobicContact CG2-CG 3.9Å; I377-R406 PolarHBondContact N-O 3.1Å; I377-R406 VanDerWaalsContact O-CG 3.27Å; I377-R406 WeakPolarHBondContact O-CG 3.47Å; I377-R406 PolarHBondContact O-NH1 2.94Å; I377-I409 HydrophobicContact CD1-CB 3.89Å; I377-I409 HydrophobicContact CD1-CD1 4.33Å; I377-I409 HydrophobicContact CD1-CG2 3.84Å; I377-P410 HydrophobicContact CD1-CG 4.25Å; I377-P410 HydrophobicContact CG1-CG 3.7Å
378	R	92.5	Very high	87.3	Confident	17 Å²	17	56.1 Å²	56.1	6%	0.064	31%	0.307	C	S	.	.	S	Bend	trans	-78.7	-43.3	174.7	-77.1	177	32	132.7	8.3	113.2	W344 K347 M352 W357 F360 P376 E382 R406	W344-R378 PolarHBondContact O-NH1 2.94Å; K347-R378 VanDerWaalsContact O-CZ 3.27Å; K347-R378 PolarHBondContact O-NH1 2.76Å; K347-R378 PolarHBondContact O-NH2 3.26Å; M352-R378 PolarHBondContact SD-NH1 2.89Å; W357-R378 HydrophobicContact CH2-CG 3.8Å; W357-R378 HydrophobicContact CZ3-CG 3.78Å; F360-R378 HydrophobicContact CD2-CG 4.13Å; F360-R378 HydrophobicContact CE2-CB 4.25Å; F360-R378 HydrophobicContact CE2-CG 3.64Å; F360-R378 HydrophobicContact CZ-CG 4.25Å; P376-R378 PolarHBondContact O-N 3.45Å; R378-E382 WeakPolarHBondContact CB-OE2 3.31Å; R378-E382 IonicContact CZ-OE2 2.98Å; R378-E382 IonicContact NE-OE2 2.84Å; R378-E382 PolarHBondContact NE-OE2 3.28Å; R378-E382 IonicContact NH2-OE1 2.67Å; R378-E382 PolarHBondContact NH2-OE1 3.41Å; R378-E382 IonicContact NH2-OE2 2.78Å; R378-E382 PolarHBondContact NH2-OE2 3.14Å; R378-R406 PolarHBondContact O-NH1 3.25Å
379	N	92.1	Very high	88	Confident	40 Å²	40	54.2 Å²	54.2	21%	0.214	30%	0.296	C	S	.	.			trans	-157.8	167.9	167.3	59.7	61.2	0	0	0	108.7	I377 K381 E382	I377-N379 VanDerWaalsContact CG2-O 3.25Å; I377-N379 WeakPolarHBondContact CG2-O 3.39Å; N379-K381 VanDerWaalsContact C-N 3.26Å; N379-K381 PolarHBondContact O-N 3.33Å; N379-K381 PolarHBondContact OD1-N 3.07Å; N379-E382 PolarHBondContact ND2-OE1 3.37Å; N379-E382 WeakPolarHBondContact OD1-CB 3.46Å; N379-E382 WeakPolarHBondContact OD1-CG 3.25Å; N379-E382 PolarHBondContact OD1-N 2.81Å
380	W	92.5	Very high	88.9	Confident	15 Å²	15	51 Å²	51	6%	0.057	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.6	-177.5	-59.8	123.6	0	0	0	114.3	I377 L385 L390 I393 Y398 P401 Q405 I409 I434	I377-W380 HydrophobicContact CD1-CZ3 4.19Å; W380-L385 HydrophobicContact CE3-CD1 3.93Å; W380-L385 HydrophobicContact CZ3-CD1 4.07Å; W380-L390 HydrophobicContact CB-CD2 3.98Å; W380-L390 WeakPolarHBondContact O-CD2 3.21Å; W380-I393 HydrophobicContact CD2-CD1 4.48Å; W380-I393 HydrophobicContact CD2-CG2 3.97Å; W380-I393 HydrophobicContact CE3-CD1 4.12Å; W380-I393 HydrophobicContact CG-CG2 4.11Å; W380-I393 HydrophobicContact CH2-CD1 4.46Å; W380-I393 HydrophobicContact CZ2-CG2 4.15Å; W380-I393 HydrophobicContact CZ3-CD1 4.12Å; W380-Y398 VanDerWaalsContact CD1-O 3.24Å; W380-Y398 PolarHBondContact NE1-O 3.46Å; W380-P401 HydrophobicContact CD2-CB 4.29Å; W380-P401 HydrophobicContact CD2-CG 4.31Å; W380-P401 HydrophobicContact CE3-CB 4.46Å; W380-P401 HydrophobicContact CH2-CB 3.76Å; W380-P401 HydrophobicContact CZ2-CB 3.55Å; W380-P401 HydrophobicContact CZ2-CG 4.39Å; W380-P401 HydrophobicContact CZ3-CB 4.21Å; W380-Q405 HydrophobicContact CH2-CB 4.46Å; W380-I409 HydrophobicContact CH2-CD1 3.71Å; W380-I409 HydrophobicContact CZ3-CD1 3.79Å; W380-I434 HydrophobicContact CH2-CD1 3.56Å; W380-I434 HydrophobicContact CZ2-CD1 4.45Å; W380-I434 HydrophobicContact CZ3-CD1 3.95Å
381	K	88.4	Confident	90.1	Very high	195 Å²	195	54 Å²	54	85%	0.848	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-29.7	-174.4	-60.6	-173.6	-179.7	-175.9	0	113.5	N379	N379-K381 VanDerWaalsContact C-N 3.26Å; N379-K381 PolarHBondContact O-N 3.33Å; N379-K381 PolarHBondContact OD1-N 3.07Å
382	E	84.8	Confident	91.1	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.332	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.2	177.5	-77	172.8	-155	0	0	112.8	L349 R378 N379	L349-E382 HydrophobicContact CD2-CB 4.46Å; R378-E382 WeakPolarHBondContact CB-OE2 3.31Å; R378-E382 IonicContact CZ-OE2 2.98Å; R378-E382 IonicContact NE-OE2 2.84Å; R378-E382 PolarHBondContact NE-OE2 3.28Å; R378-E382 IonicContact NH2-OE1 2.67Å; R378-E382 PolarHBondContact NH2-OE1 3.41Å; R378-E382 IonicContact NH2-OE2 2.78Å; R378-E382 PolarHBondContact NH2-OE2 3.14Å; N379-E382 PolarHBondContact ND2-OE1 3.37Å; N379-E382 WeakPolarHBondContact OD1-CB 3.46Å; N379-E382 WeakPolarHBondContact OD1-CG 3.25Å; N379-E382 PolarHBondContact OD1-N 2.81Å
383	Y	86.1	Confident	91.8	Very high	52 Å²	52	47 Å²	47	20%	0.204	25%	0.251	C	S	.	.	S	Bend	trans	-101.9	140.2	-174.4	-164.3	-103.4	0	0	0	111.8	I377 L385 P410 L413	I377-Y383 HydrophobicContact CB-CG 4.47Å; I377-Y383 HydrophobicContact CD1-CD1 3.61Å; I377-Y383 HydrophobicContact CD1-CE1 3.88Å; I377-Y383 HydrophobicContact CD1-CG 4.05Å; I377-Y383 HydrophobicContact CG1-CD1 3.81Å; I377-Y383 HydrophobicContact CG1-CD2 3.95Å; I377-Y383 HydrophobicContact CG1-CE1 4.08Å; I377-Y383 HydrophobicContact CG1-CE2 4.21Å; I377-Y383 HydrophobicContact CG1-CG 3.75Å; I377-Y383 HydrophobicContact CG2-CG 4.24Å; Y383-L385 HydrophobicContact CD1-CD2 4.33Å; Y383-L385 HydrophobicContact CD1-CG 4.07Å; Y383-L385 HydrophobicContact CE1-CD2 4.38Å; Y383-L385 PolarHBondContact O-N 2.86Å; Y383-P410 HydrophobicContact CE2-CG 4.2Å; Y383-P410 WeakPolarHBondContact OH-CA 3.32Å; Y383-P410 WeakPolarHBondContact OH-CB 3.32Å; Y383-L413 HydrophobicContact CE1-CD1 3.72Å
384	S	83.9	Confident	92.1	Very high	110 Å²	110	51.3 Å²	51.3	77%	0.769	27%	0.274	S	S	*	.			trans	-78.8	57	-168.1	55.9	0	0	0	0	113.8
385	L	91.8	Very high	92.1	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.073	30%	0.298	C	S	.	.			trans	-80.9	149.4	166.7	-66.3	177.8	0	0	0	110.7	W380 Y383 I389 L390 I393 L413 I434 V438	W380-L385 HydrophobicContact CE3-CD1 3.93Å; W380-L385 HydrophobicContact CZ3-CD1 4.07Å; Y383-L385 HydrophobicContact CD1-CD2 4.33Å; Y383-L385 HydrophobicContact CD1-CG 4.07Å; Y383-L385 HydrophobicContact CE1-CD2 4.38Å; Y383-L385 PolarHBondContact O-N 2.86Å; L385-I389 HydrophobicContact CD1-CG2 4.41Å; L385-L390 HydrophobicContact CB-CD1 4.39Å; L385-L390 HydrophobicContact CB-CD2 3.86Å; L385-L390 HydrophobicContact CB-CG 3.87Å; L385-L390 HydrophobicContact CD1-CD2 3.92Å; L385-L390 HydrophobicContact CG-CD2 4.41Å; L385-I393 HydrophobicContact CD1-CD1 3.78Å; L385-L413 HydrophobicContact CD2-CD1 3.92Å; L385-I434 HydrophobicContact CD1-CG2 4.13Å; L385-I434 HydrophobicContact CD2-CG2 4.07Å; L385-V438 HydrophobicContact CD2-CG2 4.02Å
386	P	93.4	Very high	91.9	Very high	33 Å²	33	54.7 Å²	54.7	21%	0.214	29%	0.285	C	S	.	.			trans	-57.3	142.6	172.1	-23.3	33.7	0	0	0	112.3	H388 I389 L390 V438 T442	P386-H388 VanDerWaalsContact C-N 3.28Å; P386-H388 WeakPolarHBondContact CB-CE1 3.5Å; P386-H388 PolarHBondContact O-N 3.26Å; P386-I389 HydrophobicContact CB-CG1 4.17Å; P386-I389 HydrophobicContact CG-CG1 4.28Å; P386-I389 WeakPolarHBondContact O-CB 3.41Å; P386-I389 PolarHBondContact O-N 3.39Å; P386-L390 PolarHBondContact O-N 3.42Å; P386-L390 VanDerWaalsContact O-N 3.11Å; P386-V438 HydrophobicContact CG-CG1 4.19Å; P386-V438 HydrophobicContact CG-CG2 4.42Å; P386-T442 HydrophobicContact CG-CG2 4.35Å
387	A	92.9	Very high	91.8	Very high	82 Å²	82	57 Å²	57	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-57	-38.2	-174	0	0	0	0	0	113.5	I389 L390 E391	A387-I389 VanDerWaalsContact C-N 3.33Å; A387-I389 PolarHBondContact O-N 3.49Å; A387-L390 PolarHBondContact O-N 2.89Å; A387-E391 PolarHBondContact O-N 3.15Å
388	H	92.8	Very high	91.6	Very high	71 Å²	71	59.4 Å²	59.4	33%	0.329	32%	0.318	S	S	.	.	H	α-helix	trans	-68.2	-29.2	177	62.1	-83.7	0	0	0	113.2	P386 V392 T441	P386-H388 VanDerWaalsContact C-N 3.28Å; P386-H388 WeakPolarHBondContact CB-CE1 3.5Å; P386-H388 PolarHBondContact O-N 3.26Å; H388-V392 WeakPolarHBondContact O-CG2 3.15Å; H388-V392 PolarHBondContact O-N 2.99Å; H388-T441 WeakPolarHBondContact NE2-CB 3.16Å; H388-T441 PolarHBondContact NE2-OG1 3.08Å
389	I	94.7	Very high	91.6	Very high	4 Å²	4	67 Å²	67	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-72.4	-42.8	173.5	-61.5	-60.8	0	0	0	110	L385 P386 A387 E391 V392 I393 I434 L437 V438 T441 L482	L385-I389 HydrophobicContact CD1-CG2 4.41Å; P386-I389 HydrophobicContact CB-CG1 4.17Å; P386-I389 HydrophobicContact CG-CG1 4.28Å; P386-I389 WeakPolarHBondContact O-CB 3.41Å; P386-I389 PolarHBondContact O-N 3.39Å; A387-I389 VanDerWaalsContact C-N 3.33Å; A387-I389 PolarHBondContact O-N 3.49Å; I389-E391 VanDerWaalsContact C-N 3.35Å; I389-E391 PolarHBondContact O-N 2.69Å; I389-V392 PolarHBondContact O-N 3.48Å; I389-I393 HydrophobicContact CG2-CD1 3.85Å; I389-I393 HydrophobicContact CG2-CG1 4.45Å; I389-I393 VanDerWaalsContact O-CG1 3.3Å; I389-I393 WeakPolarHBondContact O-CG1 3.47Å; I389-I393 PolarHBondContact O-N 2.88Å; I389-I434 HydrophobicContact CG2-CG2 4.38Å; I389-L437 HydrophobicContact CD1-CB 4.09Å; I389-V438 HydrophobicContact CG1-CG2 3.98Å; I389-V438 HydrophobicContact CG2-CG2 4.24Å; I389-T441 HydrophobicContact CD1-CG2 4.47Å; I389-L482 HydrophobicContact CD1-CD1 3.68Å; I389-L482 HydrophobicContact CD1-CD2 4.27Å
390	L	94.5	Very high	91.6	Very high	47 Å²	47	69.9 Å²	69.9	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-41.2	175.4	-68.6	174.8	0	0	0	112.3	W380 L385 P386 A387 V392 I393 D394	W380-L390 HydrophobicContact CB-CD2 3.98Å; W380-L390 WeakPolarHBondContact O-CD2 3.21Å; L385-L390 HydrophobicContact CB-CD1 4.39Å; L385-L390 HydrophobicContact CB-CD2 3.86Å; L385-L390 HydrophobicContact CB-CG 3.87Å; L385-L390 HydrophobicContact CD1-CD2 3.92Å; L385-L390 HydrophobicContact CG-CD2 4.41Å; P386-L390 PolarHBondContact O-N 3.42Å; P386-L390 VanDerWaalsContact O-N 3.11Å; A387-L390 PolarHBondContact O-N 2.89Å; L390-V392 VanDerWaalsContact C-N 3.33Å; L390-V392 PolarHBondContact O-N 3.39Å; L390-I393 PolarHBondContact O-N 2.76Å; L390-D394 WeakPolarHBondContact O-CB 3.34Å; L390-D394 PolarHBondContact O-N 3.14Å
391	E	93.6	Very high	91.7	Very high	102 Å²	102	69.4 Å²	69.4	48%	0.477	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.7	-171	-175.9	175.4	0	0	112.2	A387 I389 K395	A387-E391 PolarHBondContact O-N 3.15Å; I389-E391 VanDerWaalsContact C-N 3.35Å; I389-E391 PolarHBondContact O-N 2.69Å; E391-K395 HydrophobicContact CG-CD 4.25Å; E391-K395 WeakPolarHBondContact O-CB 3.42Å; E391-K395 VanDerWaalsContact O-CG 3.3Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 2.83Å; E391-K395 WeakPolarHBondContact OE1-CE 2.94Å; E391-K395 IonicContact OE1-NZ 3.06Å; E391-K395 PolarHBondContact OE1-NZ 2.82Å
392	V	95.1	Very high	91.9	Very high	8 Å²	8	62 Å²	62	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-70.3	-41.1	175.6	174	0	0	0	0	111.5	H388 I389 L390 D394 K395 C396 F478 P481 L482	H388-V392 WeakPolarHBondContact O-CG2 3.15Å; H388-V392 PolarHBondContact O-N 2.99Å; I389-V392 PolarHBondContact O-N 3.48Å; L390-V392 VanDerWaalsContact C-N 3.33Å; L390-V392 PolarHBondContact O-N 3.39Å; V392-D394 VanDerWaalsContact C-N 3.32Å; V392-D394 PolarHBondContact O-N 2.8Å; V392-K395 PolarHBondContact O-N 2.88Å; V392-C396 WeakPolarHBondContact O-CB 3.35Å; V392-C396 PolarHBondContact O-N 2.79Å; V392-C396 PolarHBondContact O-SG 2.77Å; V392-F478 HydrophobicContact CG1-CD1 3.81Å; V392-P481 HydrophobicContact CG1-CB 4.44Å; V392-P481 HydrophobicContact CG1-CG 4.43Å; V392-P481 HydrophobicContact CG2-CB 3.75Å; V392-L482 HydrophobicContact CG2-CD2 3.82Å; V392-L482 HydrophobicContact CG2-CG 4.09Å
393	I	94.9	Very high	92.3	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-45.8	174.7	-71.4	167.2	0	0	0	110.9	W380 L385 I389 L390 C396 G397 Y398 I434 F478	W380-I393 HydrophobicContact CD2-CD1 4.48Å; W380-I393 HydrophobicContact CD2-CG2 3.97Å; W380-I393 HydrophobicContact CE3-CD1 4.12Å; W380-I393 HydrophobicContact CG-CG2 4.11Å; W380-I393 HydrophobicContact CH2-CD1 4.46Å; W380-I393 HydrophobicContact CZ2-CG2 4.15Å; W380-I393 HydrophobicContact CZ3-CD1 4.12Å; L385-I393 HydrophobicContact CD1-CD1 3.78Å; I389-I393 HydrophobicContact CG2-CD1 3.85Å; I389-I393 HydrophobicContact CG2-CG1 4.45Å; I389-I393 VanDerWaalsContact O-CG1 3.3Å; I389-I393 WeakPolarHBondContact O-CG1 3.47Å; I389-I393 PolarHBondContact O-N 2.88Å; L390-I393 PolarHBondContact O-N 2.76Å; I393-C396 PolarHBondContact O-N 2.99Å; I393-G397 PolarHBondContact O-N 3.08Å; I393-Y398 PolarHBondContact O-N 2.88Å; I393-Y398 VanDerWaalsContact O-N 3.12Å; I393-I434 HydrophobicContact CD1-CD1 3.78Å; I393-I434 HydrophobicContact CD1-CG1 4.27Å; I393-I434 HydrophobicContact CG1-CD1 4.16Å; I393-F478 HydrophobicContact CG1-CE1 4.03Å
394	D	93.6	Very high	92.6	Very high	121 Å²	121	57.9 Å²	57.9	65%	0.647	32%	0.323	S	S	*	.	H	α-helix	trans	-66.7	-48.7	178.7	-169.3	68.4	0	0	0	112	L390 V392 C396 G397	L390-D394 WeakPolarHBondContact O-CB 3.34Å; L390-D394 PolarHBondContact O-N 3.14Å; V392-D394 VanDerWaalsContact C-N 3.32Å; V392-D394 PolarHBondContact O-N 2.8Å; D394-C396 PolarHBondContact O-N 3.09Å; D394-G397 WeakPolarHBondContact O-CA 3.5Å; D394-G397 PolarHBondContact O-N 2.94Å
395	K	92.6	Very high	93.2	Very high	147 Å²	147	52.6 Å²	52.6	64%	0.639	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-32.9	174.1	-75	176	-175.6	171.7	0	113.1	E391 V392 G397	E391-K395 HydrophobicContact CG-CD 4.25Å; E391-K395 WeakPolarHBondContact O-CB 3.42Å; E391-K395 VanDerWaalsContact O-CG 3.3Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 2.83Å; E391-K395 WeakPolarHBondContact OE1-CE 2.94Å; E391-K395 IonicContact OE1-NZ 3.06Å; E391-K395 PolarHBondContact OE1-NZ 2.82Å; V392-K395 PolarHBondContact O-N 2.88Å; K395-G397 PolarHBondContact O-N 3.31Å
396	C	90.9	Very high	93.4	Very high	13 Å²	13	52.2 Å²	52.2	9%	0.088	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.9	174.1	-76.9	0	0	0	0	113.3	V392 I393 D394 Y398 K477 F478	V392-C396 WeakPolarHBondContact O-CB 3.35Å; V392-C396 PolarHBondContact O-N 2.79Å; V392-C396 PolarHBondContact O-SG 2.77Å; I393-C396 PolarHBondContact O-N 2.99Å; D394-C396 PolarHBondContact O-N 3.09Å; C396-Y398 HydrophobicContact CB-CD2 3.61Å; C396-Y398 HydrophobicContact CB-CE2 3.81Å; C396-K477 WeakPolarHBondContact O-CE 3.47Å; C396-K477 PolarHBondContact O-NZ 2.71Å; C396-F478 HydrophobicContact CB-CE1 4.22Å; C396-F478 HydrophobicContact CB-CZ 4.16Å
397	G	91.3	Very high	93.5	Very high	50 Å²	50	50.6 Å²	50.6	52%	0.515	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	11.6	176.6	0	0	0	0	0	115.4	I393 D394 K395 K399	I393-G397 PolarHBondContact O-N 3.08Å; D394-G397 WeakPolarHBondContact O-CA 3.5Å; D394-G397 PolarHBondContact O-N 2.94Å; K395-G397 PolarHBondContact O-N 3.31Å; G397-K399 VanDerWaalsContact C-N 3.32Å; G397-K399 PolarHBondContact O-N 3.1Å
398	Y	92	Very high	93.6	Very high	51 Å²	51	46.8 Å²	46.8	20%	0.2	24%	0.242	C	C	.	.			trans	-82.5	75.9	-177.6	-71.1	-111.3	0	0	0	109.8	W380 I393 C396 D400 A430 E474 F478	W380-Y398 VanDerWaalsContact CD1-O 3.24Å; W380-Y398 PolarHBondContact NE1-O 3.46Å; I393-Y398 PolarHBondContact O-N 2.88Å; I393-Y398 VanDerWaalsContact O-N 3.12Å; C396-Y398 HydrophobicContact CB-CD2 3.61Å; C396-Y398 HydrophobicContact CB-CE2 3.81Å; Y398-D400 VanDerWaalsContact C-N 3.33Å; Y398-D400 PolarHBondContact O-N 3.25Å; Y398-A430 HydrophobicContact CE1-CB 4.03Å; Y398-E474 VanDerWaalsContact OH-CD 3.28Å; Y398-E474 PolarHBondContact OH-OE1 2.84Å; Y398-F478 HydrophobicContact CD1-CZ 4.48Å; Y398-F478 HydrophobicContact CD2-CE2 4.36Å; Y398-F478 AromaticContact CD2-CZ 3.76Å; Y398-F478 HydrophobicContact CD2-CZ 3.76Å; Y398-F478 HydrophobicContact CE1-CE2 4.4Å; Y398-F478 HydrophobicContact CE1-CZ 4.28Å; Y398-F478 AromaticContact CE2-CE2 3.69Å; Y398-F478 HydrophobicContact CE2-CE2 3.69Å; Y398-F478 AromaticContact CE2-CZ 3.56Å; Y398-F478 HydrophobicContact CE2-CZ 3.56Å; Y398-F478 HydrophobicContact CG-CZ 4.24Å; Y398-F478 AromaticContact CZ-CE2 3.71Å; Y398-F478 AromaticContact CZ-CZ 3.83Å
399	K	91	Very high	93.9	Very high	176 Å²	176	43.4 Å²	43.4	77%	0.765	23%	0.226	S	C	*	.			trans	-57.6	-40.2	-173.5	-64.6	-176.6	179.9	-179.6	0	114.3	G397	G397-K399 VanDerWaalsContact C-N 3.32Å; G397-K399 PolarHBondContact O-N 3.1Å
400	D	91.9	Very high	93.9	Very high	102 Å²	102	43.2 Å²	43.2	55%	0.545	23%	0.225	S	C	.	.	S	Bend	trans	-135.4	144.6	-178.6	-79.8	-71.6	0	0	0	110.2	Y398	Y398-D400 VanDerWaalsContact C-N 3.33Å; Y398-D400 PolarHBondContact O-N 3.25Å
401	P	95.1	Very high	94	Very high	4 Å²	4	41 Å²	41	3%	0.026	21%	0.214	C	C	.	.			trans	-69.8	140.5	175.7	24.2	-28.4	0	0	0	111.3	I377 W380 Q405 R406	I377-P401 HydrophobicContact CB-CG 4.42Å; I377-P401 HydrophobicContact CG2-CG 3.9Å; W380-P401 HydrophobicContact CD2-CB 4.29Å; W380-P401 HydrophobicContact CD2-CG 4.31Å; W380-P401 HydrophobicContact CE3-CB 4.46Å; W380-P401 HydrophobicContact CH2-CB 3.76Å; W380-P401 HydrophobicContact CZ2-CB 3.55Å; W380-P401 HydrophobicContact CZ2-CG 4.39Å; W380-P401 HydrophobicContact CZ3-CB 4.21Å; P401-Q405 HydrophobicContact CB-CB 4.14Å; P401-R406 HydrophobicContact CB-CG 3.77Å; P401-R406 HydrophobicContact CG-CG 3.82Å; P401-R406 PolarHBondContact O-NE 3.25Å; P401-R406 PolarHBondContact O-NH2 2.98Å
402	T	93.6	Very high	94.1	Very high	39 Å²	39	36.1 Å²	36.1	24%	0.239	19%	0.191	C	C	.	.			trans	-75.7	160.5	172.8	72.9	0	0	0	0	111.2	I404 Q405 R406 S426	T402-I404 VanDerWaalsContact C-N 3.28Å; T402-I404 PolarHBondContact O-N 2.82Å; T402-I404 VanDerWaalsContact O-N 3.15Å; T402-Q405 WeakPolarHBondContact O-CA 3.38Å; T402-Q405 WeakPolarHBondContact O-CB 3.45Å; T402-Q405 PolarHBondContact O-N 3.31Å; T402-Q405 VanDerWaalsContact OG1-CG 3.31Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.33Å; T402-Q405 PolarHBondContact OG1-NE2 3.26Å; T402-R406 VanDerWaalsContact O-CG 3.3Å; T402-R406 WeakPolarHBondContact O-CG 3.39Å; T402-R406 PolarHBondContact O-N 3Å; T402-S426 VanDerWaalsContact CB-O 3.22Å; T402-S426 WeakPolarHBondContact CB-O 3.24Å; T402-S426 PolarHBondContact OG1-O 3.33Å
403	P	92.6	Very high	94.2	Very high	37 Å²	37	36.9 Å²	36.9	24%	0.24	20%	0.195	C	C	.	.	H	α-helix	trans	-52	-40.1	-177	-30.3	37.4	0	0	0	115	Y364 I366 R406 I616	Y364-P403 HydrophobicContact CD1-CG 4.07Å; I366-P403 HydrophobicContact CD1-CB 4.36Å; I366-P403 WeakPolarHBondContact CD1-O 3.11Å; I366-P403 HydrophobicContact CG1-CB 4.19Å; P403-R406 PolarHBondContact O-N 2.87Å; P403-I616 HydrophobicContact CB-CD1 3.88Å; P403-I616 HydrophobicContact CB-CG1 4.47Å; P403-I616 HydrophobicContact CB-CG2 3.74Å; P403-I616 HydrophobicContact CG-CG2 4.44Å
404	I	93.5	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-43.6	176.1	-166.9	63.6	0	0	0	111.6	T402 R406 Q407 A408 A422 S426 A431 F592 V614 I616	T402-I404 VanDerWaalsContact C-N 3.28Å; T402-I404 PolarHBondContact O-N 2.82Å; T402-I404 VanDerWaalsContact O-N 3.15Å; I404-R406 VanDerWaalsContact C-N 3.32Å; I404-R406 PolarHBondContact O-N 3.48Å; I404-Q407 PolarHBondContact O-N 3.42Å; I404-A408 HydrophobicContact CD1-CB 4.46Å; I404-A408 HydrophobicContact CG1-CB 4.44Å; I404-A408 WeakPolarHBondContact O-CB 3.32Å; I404-A408 PolarHBondContact O-N 3.18Å; I404-A422 HydrophobicContact CD1-CB 4.34Å; I404-A422 HydrophobicContact CG1-CB 4.45Å; I404-S426 VanDerWaalsContact CG2-O 3.25Å; I404-S426 WeakPolarHBondContact CG2-O 3.24Å; I404-A431 HydrophobicContact CG1-CB 4.45Å; I404-A431 HydrophobicContact CG2-CB 4.22Å; I404-F592 HydrophobicContact CD1-CE1 4.03Å; I404-F592 HydrophobicContact CG1-CE1 3.75Å; I404-V614 HydrophobicContact CD1-CB 4.15Å; I404-V614 HydrophobicContact CD1-CG1 3.82Å; I404-I616 HydrophobicContact CB-CD1 4.39Å; I404-I616 HydrophobicContact CB-CG1 3.9Å; I404-I616 HydrophobicContact CD1-CD1 4.3Å; I404-I616 HydrophobicContact CD1-CG1 3.78Å; I404-I616 HydrophobicContact CG1-CG1 4.41Å
405	Q	95.9	Very high	94.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-42.8	177.1	-67.1	164.3	6.3	0	0	111.1	W380 P401 T402 Q407 I409 G427 A431	W380-Q405 HydrophobicContact CH2-CB 4.46Å; P401-Q405 HydrophobicContact CB-CB 4.14Å; T402-Q405 WeakPolarHBondContact O-CA 3.38Å; T402-Q405 WeakPolarHBondContact O-CB 3.45Å; T402-Q405 PolarHBondContact O-N 3.31Å; T402-Q405 VanDerWaalsContact OG1-CG 3.31Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.33Å; T402-Q405 PolarHBondContact OG1-NE2 3.26Å; Q405-Q407 VanDerWaalsContact C-N 3.29Å; Q405-Q407 PolarHBondContact O-N 3.32Å; Q405-I409 HydrophobicContact CB-CD1 3.78Å; Q405-I409 HydrophobicContact CB-CG1 4.49Å; Q405-I409 HydrophobicContact CG-CD1 4.34Å; Q405-I409 VanDerWaalsContact O-CB 3.31Å; Q405-I409 WeakPolarHBondContact O-CB 3.34Å; Q405-I409 WeakPolarHBondContact O-CD1 3.49Å; Q405-I409 VanDerWaalsContact O-CG1 3.25Å; Q405-I409 WeakPolarHBondContact O-CG1 3.42Å; Q405-I409 PolarHBondContact O-N 3.18Å; Q405-I409 VanDerWaalsContact O-N 3.14Å; Q405-G427 WeakPolarHBondContact CG-O 3.3Å; Q405-G427 PolarHBondContact NE2-O 2.76Å; Q405-A431 HydrophobicContact CB-CB 4.31Å; Q405-A431 HydrophobicContact CG-CB 3.72Å
406	R	95.6	Very high	94.5	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-54.6	-43.3	-179.1	-69.4	174.8	-176.5	-87	-1.9	112.5	Y364 I366 P376 I377 R378 P401 T402 P403 I404 P410	Y364-R406 VanDerWaalsContact CZ-CZ 3.48Å; Y364-R406 PolarHBondContact OH-NH2 3.33Å; I366-R406 HydrophobicContact CD1-CB 4.33Å; P376-R406 CarbonylContact C-O 3.57Å; P376-R406 WeakPolarHBondContact CA-O 3.42Å; P376-R406 HydrophobicContact CB-CB 4.21Å; P376-R406 WeakPolarHBondContact CB-O 3.4Å; I377-R406 PolarHBondContact N-O 3.1Å; I377-R406 VanDerWaalsContact O-CG 3.27Å; I377-R406 WeakPolarHBondContact O-CG 3.47Å; I377-R406 PolarHBondContact O-NH1 2.94Å; R378-R406 PolarHBondContact O-NH1 3.25Å; P401-R406 HydrophobicContact CB-CG 3.77Å; P401-R406 HydrophobicContact CG-CG 3.82Å; P401-R406 PolarHBondContact O-NE 3.25Å; P401-R406 PolarHBondContact O-NH2 2.98Å; T402-R406 VanDerWaalsContact O-CG 3.3Å; T402-R406 WeakPolarHBondContact O-CG 3.39Å; T402-R406 PolarHBondContact O-N 3Å; P403-R406 PolarHBondContact O-N 2.87Å; I404-R406 VanDerWaalsContact C-N 3.32Å; I404-R406 PolarHBondContact O-N 3.48Å; R406-P410 VanDerWaalsContact O-CD 3.27Å; R406-P410 WeakPolarHBondContact O-CD 3.5Å; R406-P410 WeakPolarHBondContact O-CG 3.45Å
407	Q	94.9	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-100.8	-31.4	-174.2	-173.1	60.6	88	0	0	113.6	I366 T368 P374 P376 I404 Q405 I411 V614	I366-Q407 HydrophobicContact CD1-CB 4.25Å; I366-Q407 HydrophobicContact CG2-CB 3.84Å; I366-Q407 HydrophobicContact CG2-CG 3.88Å; T368-Q407 HydrophobicContact CG2-CG 3.57Å; P374-Q407 PolarHBondContact O-NE2 3.46Å; P376-Q407 HydrophobicContact CB-CB 4.37Å; I404-Q407 PolarHBondContact O-N 3.42Å; Q405-Q407 VanDerWaalsContact C-N 3.29Å; Q405-Q407 PolarHBondContact O-N 3.32Å; Q407-I411 HydrophobicContact CG-CD1 4.35Å; Q407-I411 VanDerWaalsContact O-CD1 3.24Å; Q407-I411 WeakPolarHBondContact O-CD1 2.93Å; Q407-I411 WeakPolarHBondContact O-CG1 3.42Å; Q407-V614 HydrophobicContact CB-CG1 3.9Å; Q407-V614 HydrophobicContact CG-CG1 3.89Å; Q407-V614 HydrophobicContact CG-CG2 4.01Å
408	A	96.6	Very high	95.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-77.3	-36.2	-179.5	0	0	0	0	0	113.1	I404 I411 G412 I418 A431	I404-A408 HydrophobicContact CD1-CB 4.46Å; I404-A408 HydrophobicContact CG1-CB 4.44Å; I404-A408 WeakPolarHBondContact O-CB 3.32Å; I404-A408 PolarHBondContact O-N 3.18Å; A408-I411 PolarHBondContact O-N 2.98Å; A408-G412 PolarHBondContact O-N 3.27Å; A408-I418 HydrophobicContact CB-CD1 4.39Å; A408-I418 WeakPolarHBondContact O-CD1 3.31Å; A408-A431 HydrophobicContact CB-CB 4.31Å
409	I	97.1	Very high	95.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-46.3	-179.1	-64.8	168.8	0	0	0	111.8	I377 W380 Q405 I411 G412 L413 A431 I434 P435	I377-I409 HydrophobicContact CD1-CB 3.89Å; I377-I409 HydrophobicContact CD1-CD1 4.33Å; I377-I409 HydrophobicContact CD1-CG2 3.84Å; W380-I409 HydrophobicContact CH2-CD1 3.71Å; W380-I409 HydrophobicContact CZ3-CD1 3.79Å; Q405-I409 HydrophobicContact CB-CD1 3.78Å; Q405-I409 HydrophobicContact CB-CG1 4.49Å; Q405-I409 HydrophobicContact CG-CD1 4.34Å; Q405-I409 VanDerWaalsContact O-CB 3.31Å; Q405-I409 WeakPolarHBondContact O-CB 3.34Å; Q405-I409 WeakPolarHBondContact O-CD1 3.49Å; Q405-I409 VanDerWaalsContact O-CG1 3.25Å; Q405-I409 WeakPolarHBondContact O-CG1 3.42Å; Q405-I409 PolarHBondContact O-N 3.18Å; Q405-I409 VanDerWaalsContact O-N 3.14Å; I409-I411 VanDerWaalsContact C-N 3.32Å; I409-I411 PolarHBondContact O-N 3.23Å; I409-G412 WeakPolarHBondContact O-CA 3.4Å; I409-G412 PolarHBondContact O-N 3.3Å; I409-L413 HydrophobicContact CG2-CD1 3.94Å; I409-L413 HydrophobicContact CG2-CG 4.37Å; I409-L413 WeakPolarHBondContact O-CG 2.96Å; I409-L413 PolarHBondContact O-N 2.89Å; I409-A431 WeakPolarHBondContact CG1-O 3.3Å; I409-I434 HydrophobicContact CD1-CB 4.06Å; I409-I434 HydrophobicContact CD1-CD1 3.68Å; I409-I434 HydrophobicContact CD1-CG1 4.45Å; I409-I434 HydrophobicContact CD1-CG2 4.18Å; I409-I434 HydrophobicContact CG1-CB 4.34Å; I409-I434 HydrophobicContact CG2-CG2 3.88Å; I409-P435 HydrophobicContact CB-CG 4.48Å; I409-P435 HydrophobicContact CG2-CG 4.24Å
410	P	95.9	Very high	95.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-61.4	-35.3	176	-27.2	37.2	0	0	0	114.4	P374 I377 Y383 R406 G412	P374-P410 HydrophobicContact CB-CB 3.89Å; P374-P410 HydrophobicContact CG-CB 3.84Å; I377-P410 HydrophobicContact CD1-CG 4.25Å; I377-P410 HydrophobicContact CG1-CG 3.7Å; Y383-P410 HydrophobicContact CE2-CG 4.2Å; Y383-P410 WeakPolarHBondContact OH-CA 3.32Å; Y383-P410 WeakPolarHBondContact OH-CB 3.32Å; R406-P410 VanDerWaalsContact O-CD 3.27Å; R406-P410 WeakPolarHBondContact O-CD 3.5Å; R406-P410 WeakPolarHBondContact O-CG 3.45Å; P410-G412 VanDerWaalsContact C-N 3.34Å
411	I	96.4	Very high	94.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.4	-39.4	173.6	-58.5	164.2	0	0	0	109.7	I373 P374 Q407 A408 I409 L413 Q414 R416 I418 A612 V614	I373-I411 HydrophobicContact CG2-CD1 4.23Å; I373-I411 HydrophobicContact CG2-CG1 4.46Å; P374-I411 HydrophobicContact CG-CB 4.41Å; P374-I411 HydrophobicContact CG-CG1 3.7Å; Q407-I411 HydrophobicContact CG-CD1 4.35Å; Q407-I411 VanDerWaalsContact O-CD1 3.24Å; Q407-I411 WeakPolarHBondContact O-CD1 2.93Å; Q407-I411 WeakPolarHBondContact O-CG1 3.42Å; A408-I411 PolarHBondContact O-N 2.98Å; I409-I411 VanDerWaalsContact C-N 3.32Å; I409-I411 PolarHBondContact O-N 3.23Å; I411-L413 PolarHBondContact O-N 3.32Å; I411-Q414 WeakPolarHBondContact O-CB 3.22Å; I411-Q414 PolarHBondContact O-N 3.01Å; I411-Q414 VanDerWaalsContact O-N 3.1Å; I411-R416 HydrophobicContact CG2-CB 3.69Å; I411-R416 PolarHBondContact O-N 2.99Å; I411-I418 HydrophobicContact CB-CD1 3.95Å; I411-I418 HydrophobicContact CB-CG1 4.09Å; I411-I418 HydrophobicContact CG2-CD1 3.88Å; I411-I418 HydrophobicContact CG2-CG1 3.53Å; I411-A612 HydrophobicContact CD1-CB 3.95Å; I411-A612 HydrophobicContact CG2-CB 3.93Å; I411-V614 HydrophobicContact CD1-CG2 3.58Å
412	G	96.4	Very high	94.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-55.1	-48.6	176.3	0	0	0	0	0	112.4	A408 I409 P410 Q414 N415 Q588	A408-G412 PolarHBondContact O-N 3.27Å; I409-G412 WeakPolarHBondContact O-CA 3.4Å; I409-G412 PolarHBondContact O-N 3.3Å; P410-G412 VanDerWaalsContact C-N 3.34Å; G412-Q414 PolarHBondContact O-N 3.27Å; G412-N415 WeakPolarHBondContact O-CA 3.29Å; G412-N415 PolarHBondContact O-N 2.92Å; G412-Q588 VanDerWaalsContact CA-NE2 3.33Å; G412-Q588 PolarHBondContact O-NE2 3.37Å; G412-Q588 PolarHBondContact O-OE1 2.96Å
413	L	95.8	Very high	93.3	Very high	24 Å²	24	8 Å²	8	13%	0.126	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.5	179.1	-65.4	168.7	0	0	0	114.1	Y383 L385 I409 I411 N415 P435 V438 F579	Y383-L413 HydrophobicContact CE1-CD1 3.72Å; L385-L413 HydrophobicContact CD2-CD1 3.92Å; I409-L413 HydrophobicContact CG2-CD1 3.94Å; I409-L413 HydrophobicContact CG2-CG 4.37Å; I409-L413 WeakPolarHBondContact O-CG 2.96Å; I409-L413 PolarHBondContact O-N 2.89Å; I411-L413 PolarHBondContact O-N 3.32Å; L413-N415 VanDerWaalsContact C-N 3.3Å; L413-P435 HydrophobicContact CD2-CB 4.27Å; L413-P435 HydrophobicContact CG-CB 4.47Å; L413-V438 HydrophobicContact CD2-CB 3.89Å; L413-V438 HydrophobicContact CD2-CG1 3.73Å; L413-V438 HydrophobicContact CD2-CG2 4.11Å; L413-F579 HydrophobicContact CD2-CE1 3.99Å; L413-F579 HydrophobicContact CD2-CZ 3.75Å; L413-F579 WeakPolarHBondContact O-CB 3.27Å; L413-F579 WeakPolarHBondContact O-CD1 3.37Å; L413-F579 WeakPolarHBondContact O-CG 3.29Å
414	Q	95.1	Very high	92.3	Very high	16 Å²	16	8.6 Å²	8.6	8%	0.075	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.5	167.1	-66.7	179.1	-16.5	0	0	112	I411 G412 R416 M575 M576	I411-Q414 WeakPolarHBondContact O-CB 3.22Å; I411-Q414 PolarHBondContact O-N 3.01Å; I411-Q414 VanDerWaalsContact O-N 3.1Å; G412-Q414 PolarHBondContact O-N 3.27Å; Q414-R416 HydrophobicContact CB-CG 4.02Å; Q414-R416 PolarHBondContact O-N 2.66Å; Q414-M575 CarbonylContact C-O 3.47Å; Q414-M575 CarbonylContact O-C 3.49Å; Q414-M575 VanDerWaalsContact O-C 3.27Å; Q414-M575 WeakPolarHBondContact O-CB 3.41Å; Q414-M575 VanDerWaalsContact O-O 3.07Å; Q414-M576 HydrophobicContact CG-CE 4.4Å
415	N	96.8	Very high	91.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	10.7	-171.7	-155.4	34.2	0	0	0	115.6	G412 L413 K563 M575 N578 F579 K585 Y586 Q588	G412-N415 WeakPolarHBondContact O-CA 3.29Å; G412-N415 PolarHBondContact O-N 2.92Å; L413-N415 VanDerWaalsContact C-N 3.3Å; N415-K563 WeakPolarHBondContact O-CE 3.44Å; N415-K563 PolarHBondContact O-NZ 2.77Å; N415-M575 HydrophobicContact CB-CE 3.99Å; N415-N578 PolarHBondContact ND2-OD1 2.61Å; N415-F579 HydrophobicContact CB-CB 3.93Å; N415-F579 HydrophobicContact CB-CD2 3.91Å; N415-F579 HydrophobicContact CB-CG 4.42Å; N415-K585 WeakPolarHBondContact OD1-CD 3.36Å; N415-K585 WeakPolarHBondContact OD1-CE 3.3Å; N415-K585 PolarHBondContact OD1-NZ 2.99Å; N415-Y586 PolarHBondContact ND2-O 3.31Å; N415-Y586 PolarHBondContact OD1-O 2.77Å; N415-Q588 WeakPolarHBondContact OD1-CB 3.37Å; N415-Q588 PolarHBondContact OD1-OE1 3.2Å
416	R	96.3	Very high	90.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.089	C	C	.	.			trans	-77.9	145.6	-175.4	-73	173.9	64.5	179.7	7.5	112	G371 K372 I411 Q414 E570 M575 Q588	G371-R416 PolarHBondContact O-NH1 3.2Å; G371-R416 PolarHBondContact O-NH2 3.38Å; K372-R416 PolarHBondContact O-NH1 2.9Å; I411-R416 HydrophobicContact CG2-CB 3.69Å; I411-R416 PolarHBondContact O-N 2.99Å; Q414-R416 HydrophobicContact CB-CG 4.02Å; Q414-R416 PolarHBondContact O-N 2.66Å; R416-E570 IonicContact NH2-OE2 3Å; R416-M575 HydrophobicContact CG-CB 4.05Å; R416-M575 HydrophobicContact CG-CG 4.29Å; R416-Q588 PolarHBondContact O-NE2 2.88Å
417	D	97.6	Very high	90	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	10%	0.095	C	C	.	.			trans	-71.5	148.8	178.2	-74.8	1.2	0	0	0	111.4	K563 Q588 T589 L608 R609 P611 A612	D417-K563 IonicContact OD1-NZ 2.66Å; D417-K563 PolarHBondContact OD1-NZ 2.83Å; D417-Q588 WeakPolarHBondContact OD1-CA 3.33Å; D417-T589 WeakPolarHBondContact CA-O 3.5Å; D417-T589 WeakPolarHBondContact CB-O 3.38Å; D417-T589 PolarHBondContact OD1-N 3.31Å; D417-L608 HydrophobicContact CB-CB 4.16Å; D417-L608 HydrophobicContact CB-CD2 4.15Å; D417-L608 HydrophobicContact CB-CG 4.45Å; D417-L608 VanDerWaalsContact OD2-CA 3.28Å; D417-L608 WeakPolarHBondContact OD2-CA 3.45Å; D417-R609 PolarHBondContact OD2-N 3.4Å; D417-P611 HydrophobicContact CB-CB 3.96Å; D417-P611 CarbonylContact O-C 3.5Å; D417-P611 VanDerWaalsContact O-CA 3.31Å; D417-P611 WeakPolarHBondContact O-CA 3.3Å; D417-A612 PolarHBondContact O-N 2.97Å
418	I	96.7	Very high	89.9	Confident	4 Å²	4	14 Å²	14	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.7	-171.2	-64.8	163.2	0	0	0	111.1	A408 I411 T589 V590 M591 L608 A612	A408-I418 HydrophobicContact CB-CD1 4.39Å; A408-I418 WeakPolarHBondContact O-CD1 3.31Å; I411-I418 HydrophobicContact CB-CD1 3.95Å; I411-I418 HydrophobicContact CB-CG1 4.09Å; I411-I418 HydrophobicContact CG2-CD1 3.88Å; I411-I418 HydrophobicContact CG2-CG1 3.53Å; I418-T589 PolarHBondContact N-O 3.43Å; I418-T589 VanDerWaalsContact N-O 3.08Å; I418-V590 HydrophobicContact CB-CG1 4.03Å; I418-V590 HydrophobicContact CB-CG2 4.29Å; I418-V590 HydrophobicContact CD1-CG2 4.4Å; I418-V590 HydrophobicContact CG2-CG1 4.17Å; I418-V590 CarbonylContact O-C 3.51Å; I418-V590 WeakPolarHBondContact O-CA 3.47Å; I418-M591 PolarHBondContact O-N 3.33Å; I418-L608 WeakPolarHBondContact O-CD2 3.36Å; I418-A612 CarbonylContact C-O 3.57Å; I418-A612 WeakPolarHBondContact CA-O 3.49Å
419	I	94.6	Very high	89.8	Confident	9 Å²	9	14.7 Å²	14.7	5%	0.046	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	105.3	160	-58.5	175.2	0	0	0	108	V421 M591 M596 A604 L608 P611 A612 V613 V614	I419-V421 HydrophobicContact CG2-CG2 4.13Å; I419-M591 CarbonylContact C-O 3.57Å; I419-M591 VanDerWaalsContact CA-O 3.31Å; I419-M591 WeakPolarHBondContact CA-O 3.33Å; I419-M591 HydrophobicContact CG1-CB 4.49Å; I419-M596 HydrophobicContact CG2-SD 3.99Å; I419-A604 HydrophobicContact CD1-CB 4.02Å; I419-L608 HydrophobicContact CG1-CD2 3.72Å; I419-P611 HydrophobicContact CD1-CB 4.33Å; I419-P611 HydrophobicContact CD1-CG 3.9Å; I419-P611 HydrophobicContact CG1-CB 4.07Å; I419-P611 HydrophobicContact CG1-CG 4.2Å; I419-A612 PolarHBondContact N-O 3.16Å; I419-V613 HydrophobicContact CB-CB 4.45Å; I419-V613 HydrophobicContact CB-CG1 4.02Å; I419-V613 HydrophobicContact CB-CG2 4.26Å; I419-V613 HydrophobicContact CD1-CG2 4.42Å; I419-V613 HydrophobicContact CG2-CG1 4.08Å; I419-V613 CarbonylContact O-C 3.55Å; I419-V613 VanDerWaalsContact O-CA 3.3Å; I419-V613 WeakPolarHBondContact O-CA 3.37Å; I419-V613 WeakPolarHBondContact O-CG1 3.2Å; I419-V614 PolarHBondContact O-N 3.49Å
420	G	91.9	Very high	89.7	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	108.2	176.6	0	0	0	0	0	111.3	A422 M591 F592 T593 V614	G420-A422 PolarHBondContact O-N 3.22Å; G420-M591 PolarHBondContact N-O 3.46Å; G420-F592 VanDerWaalsContact O-CA 3.3Å; G420-F592 WeakPolarHBondContact O-CA 3.26Å; G420-F592 WeakPolarHBondContact O-CD1 3.3Å; G420-T593 PolarHBondContact O-N 3.47Å; G420-V614 CarbonylContact C-O 3.55Å
421	V	85.4	Confident	89.7	Confident	19 Å²	19	14.7 Å²	14.7	12%	0.115	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	95.9	175.7	-175	0	0	0	0	109	I419 T593 M596 V613 V614 Y615 I616	I419-V421 HydrophobicContact CG2-CG2 4.13Å; V421-T593 VanDerWaalsContact CA-O 3.31Å; V421-T593 WeakPolarHBondContact CA-O 3.47Å; V421-T593 HydrophobicContact CG2-CG2 4.14Å; V421-M596 HydrophobicContact CG2-CG 4.34Å; V421-M596 HydrophobicContact CG2-SD 4.46Å; V421-V613 HydrophobicContact CG2-CG1 4.23Å; V421-V614 PolarHBondContact N-O 3.47Å; V421-Y615 HydrophobicContact CB-CD1 3.47Å; V421-Y615 VanDerWaalsContact CB-CD1 3.47Å; V421-Y615 HydrophobicContact CB-CE1 3.89Å; V421-Y615 HydrophobicContact CB-CG 4.15Å; V421-Y615 HydrophobicContact CG1-CD1 3.72Å; V421-Y615 HydrophobicContact CG1-CE1 4.08Å; V421-Y615 HydrophobicContact CG2-CD1 3.71Å; V421-Y615 HydrophobicContact CG2-CE1 3.59Å; V421-Y615 HydrophobicContact CG2-CG 4.45Å; V421-I616 PolarHBondContact O-N 2.98Å
422	A	83.4	Confident	89.7	Confident	6 Å²	6	14.8 Å²	14.8	5%	0.05	10%	0.102	C	C	.	.			trans	-158.6	143.7	-176.3	0	0	0	0	0	111.9	I404 G420 S426 K428 T593 I616	I404-A422 HydrophobicContact CD1-CB 4.34Å; I404-A422 HydrophobicContact CG1-CB 4.45Å; G420-A422 PolarHBondContact O-N 3.22Å; A422-S426 WeakPolarHBondContact CB-OG 3.29Å; A422-K428 HydrophobicContact CB-CG 4.48Å; A422-T593 PolarHBondContact N-O 2.9Å; A422-I616 HydrophobicContact CB-CB 4.18Å; A422-I616 HydrophobicContact CB-CG1 4.2Å
423	E	71.8	Confident	89.7	Confident	46 Å²	46	14.8 Å²	14.8	22%	0.215	10%	0.102	C	C	.	.			trans	-68.1	162	178	-60.2	174	121.7	0	0	112.6	S426 R744	E423-S426 VanDerWaalsContact O-CB 3.31Å; E423-S426 WeakPolarHBondContact O-CB 3.42Å; E423-S426 PolarHBondContact O-N 3.4Å; E423-S426 PolarHBondContact O-OG 3Å; E423-R744 IonicContact OE1-CZ 3.37Å; E423-R744 IonicContact OE1-NH1 3.65Å; E423-R744 IonicContact OE1-NH2 2.74Å; E423-R744 PolarHBondContact OE1-NH2 2.93Å; E423-R744 IonicContact OE2-CZ 3.83Å; E423-R744 VanDerWaalsContact OE2-CZ 3.28Å; E423-R744 IonicContact OE2-NH1 2.72Å; E423-R744 PolarHBondContact OE2-NH1 2.94Å; E423-R744 IonicContact OE2-NH2 3.27Å; E423-R744 PolarHBondContact OE2-NH2 3.08Å
424	T	70.8	Confident	89.8	Confident	49 Å²	49	13.7 Å²	13.7	30%	0.301	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	148.8	168	22.8	0	0	0	0	112	S426 L467 E537	T424-S426 VanDerWaalsContact C-N 3.28Å; T424-S426 PolarHBondContact O-N 3.13Å; T424-L467 HydrophobicContact CG2-CD1 4.21Å; T424-E537 HydrophobicContact CG2-CG 4.38Å; T424-E537 WeakPolarHBondContact CG2-OE1 3.32Å; T424-E537 PolarHBondContact OG1-OE1 3.42Å
425	G	71.7	Confident	89.8	Confident	66 Å²	66	13 Å²	13	68%	0.68	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-10.9	-171.6	0	0	0	0	0	115.1	G427	G425-G427 PolarHBondContact O-N 3.46Å; G425-G427 VanDerWaalsContact O-N 3.13Å
426	S	78.9	Confident	89.8	Confident	30 Å²	30	13 Å²	13	21%	0.21	9%	0.093	C	C	.	.	S	Bend	trans	-71.9	0.5	176.3	63.4	0	0	0	0	115	T402 I404 A422 E423 T424 K428	T402-S426 VanDerWaalsContact CB-O 3.22Å; T402-S426 WeakPolarHBondContact CB-O 3.24Å; T402-S426 PolarHBondContact OG1-O 3.33Å; I404-S426 VanDerWaalsContact CG2-O 3.25Å; I404-S426 WeakPolarHBondContact CG2-O 3.24Å; A422-S426 WeakPolarHBondContact CB-OG 3.29Å; E423-S426 VanDerWaalsContact O-CB 3.31Å; E423-S426 WeakPolarHBondContact O-CB 3.42Å; E423-S426 PolarHBondContact O-N 3.4Å; E423-S426 PolarHBondContact O-OG 3Å; T424-S426 VanDerWaalsContact C-N 3.28Å; T424-S426 PolarHBondContact O-N 3.13Å; S426-K428 WeakPolarHBondContact OG-CG 3.37Å
427	G	87	Confident	89.8	Confident	14 Å²	14	13.1 Å²	13.1	14%	0.144	9%	0.094	C	C	.	.	S	Bend	trans	85.4	23.3	-178.3	0	0	0	0	0	114.8	Q405 G425 T429 A431	Q405-G427 WeakPolarHBondContact CG-O 3.3Å; Q405-G427 PolarHBondContact NE2-O 2.76Å; G425-G427 PolarHBondContact O-N 3.46Å; G425-G427 VanDerWaalsContact O-N 3.13Å; G427-T429 VanDerWaalsContact C-N 3.31Å; G427-T429 PolarHBondContact O-N 2.92Å; G427-A431 PolarHBondContact O-N 2.96Å
428	K	92	Very high	89.7	Confident	8 Å²	8	13.6 Å²	13.6	4%	0.035	10%	0.096	C	C	.	.	H	α-helix	trans	-50.5	-46	178.4	-64.1	-172.3	-78.2	172	0	113.1	A422 S426 A430 A431 F432 D536 F592	A422-K428 HydrophobicContact CB-CG 4.48Å; S426-K428 WeakPolarHBondContact OG-CG 3.37Å; K428-A430 PolarHBondContact O-N 3.46Å; K428-A431 WeakPolarHBondContact O-CA 3.44Å; K428-A431 WeakPolarHBondContact O-CB 3.46Å; K428-A431 PolarHBondContact O-N 3.25Å; K428-F432 WeakPolarHBondContact O-CD1 3.46Å; K428-F432 PolarHBondContact O-N 3.34Å; K428-D536 WeakPolarHBondContact CE-OD1 3.08Å; K428-D536 IonicContact NZ-OD1 3.17Å; K428-D536 PolarHBondContact NZ-OD1 3.19Å; K428-D536 IonicContact NZ-OD2 2.69Å; K428-F592 HydrophobicContact CB-CD1 4.16Å; K428-F592 HydrophobicContact CB-CE1 4.21Å; K428-F592 HydrophobicContact CB-CG 4.36Å; K428-F592 HydrophobicContact CB-CZ 4.45Å; K428-F592 HydrophobicContact CD-CB 3.75Å; K428-F592 HydrophobicContact CD-CD1 3.54Å; K428-F592 HydrophobicContact CD-CE1 4.33Å; K428-F592 HydrophobicContact CD-CG 3.74Å; K428-F592 HydrophobicContact CG-CD1 3.79Å; K428-F592 HydrophobicContact CG-CE1 4.08Å; K428-F592 HydrophobicContact CG-CG 4.29Å
429	T	94.1	Very high	89.6	Confident	16 Å²	16	13.6 Å²	13.6	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-52.6	-59.7	-176.3	-30.7	0	0	0	0	112.4	G427 A431 F432 L433 I471 E474	G427-T429 VanDerWaalsContact C-N 3.31Å; G427-T429 PolarHBondContact O-N 2.92Å; T429-A431 PolarHBondContact O-N 2.88Å; T429-F432 VanDerWaalsContact CA-CE1 3.44Å; T429-F432 HydrophobicContact CG2-CE1 4.48Å; T429-F432 HydrophobicContact CG2-CE2 4.4Å; T429-F432 HydrophobicContact CG2-CZ 3.94Å; T429-F432 WeakPolarHBondContact O-CG 3.48Å; T429-F432 PolarHBondContact O-N 2.87Å; T429-L433 HydrophobicContact CG2-CD1 3.86Å; T429-L433 HydrophobicContact CG2-CG 4.33Å; T429-L433 WeakPolarHBondContact O-CB 3.47Å; T429-L433 WeakPolarHBondContact O-CG 3.48Å; T429-L433 PolarHBondContact O-N 2.85Å; T429-I471 HydrophobicContact CG2-CB 4.45Å; T429-I471 HydrophobicContact CG2-CG1 4.35Å; T429-I471 HydrophobicContact CG2-CG2 4.08Å; T429-E474 WeakPolarHBondContact CB-OE2 3.48Å; T429-E474 HydrophobicContact CG2-CB 4.08Å; T429-E474 HydrophobicContact CG2-CG 4.05Å; T429-E474 WeakPolarHBondContact CG2-OE2 3.2Å; T429-E474 PolarHBondContact OG1-OE2 3.11Å
430	A	95.1	Very high	89.5	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-26.9	177.2	0	0	0	0	0	113.1	Y398 K428 F432 I434 F478	Y398-A430 HydrophobicContact CE1-CB 4.03Å; K428-A430 PolarHBondContact O-N 3.46Å; A430-F432 PolarHBondContact O-N 2.86Å; A430-I434 HydrophobicContact CB-CD1 4.25Å; A430-I434 WeakPolarHBondContact O-CB 3.27Å; A430-I434 WeakPolarHBondContact O-CD1 3.21Å; A430-I434 VanDerWaalsContact O-CG1 3.24Å; A430-I434 WeakPolarHBondContact O-CG1 3.43Å; A430-I434 PolarHBondContact O-N 3.32Å; A430-F478 HydrophobicContact CB-CE2 4.14Å; A430-F478 HydrophobicContact CB-CZ 4.14Å
431	A	96.3	Very high	89.6	Confident	2 Å²	2	14.3 Å²	14.3	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-65.8	-34.4	178.1	0	0	0	0	0	113.2	I404 Q405 A408 I409 G427 K428 T429 P435	I404-A431 HydrophobicContact CG1-CB 4.45Å; I404-A431 HydrophobicContact CG2-CB 4.22Å; Q405-A431 HydrophobicContact CB-CB 4.31Å; Q405-A431 HydrophobicContact CG-CB 3.72Å; A408-A431 HydrophobicContact CB-CB 4.31Å; I409-A431 WeakPolarHBondContact CG1-O 3.3Å; G427-A431 PolarHBondContact O-N 2.96Å; K428-A431 WeakPolarHBondContact O-CA 3.44Å; K428-A431 WeakPolarHBondContact O-CB 3.46Å; K428-A431 PolarHBondContact O-N 3.25Å; T429-A431 PolarHBondContact O-N 2.88Å; A431-P435 WeakPolarHBondContact O-CD 3.45Å
432	F	96.2	Very high	89.8	Confident	2 Å²	2	17.2 Å²	17.2	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-94.7	-28.5	173.8	65.3	-107.8	0	0	0	113.4	K428 T429 A430 I460 I471 Y532 V534 V590 F592	K428-F432 WeakPolarHBondContact O-CD1 3.46Å; K428-F432 PolarHBondContact O-N 3.34Å; T429-F432 VanDerWaalsContact CA-CE1 3.44Å; T429-F432 HydrophobicContact CG2-CE1 4.48Å; T429-F432 HydrophobicContact CG2-CE2 4.4Å; T429-F432 HydrophobicContact CG2-CZ 3.94Å; T429-F432 WeakPolarHBondContact O-CG 3.48Å; T429-F432 PolarHBondContact O-N 2.87Å; A430-F432 PolarHBondContact O-N 2.86Å; F432-I460 HydrophobicContact CE2-CD1 3.7Å; F432-I460 HydrophobicContact CE2-CG1 3.91Å; F432-I460 HydrophobicContact CE2-CG2 4.16Å; F432-I460 HydrophobicContact CZ-CG2 4.01Å; F432-I471 HydrophobicContact CZ-CG2 4.27Å; F432-Y532 HydrophobicContact CB-CE1 4.31Å; F432-Y532 PolarHBondContact O-OH 2.95Å; F432-V534 HydrophobicContact CB-CG2 4.38Å; F432-V534 HydrophobicContact CD1-CG1 4.01Å; F432-V534 HydrophobicContact CD2-CG1 4.25Å; F432-V534 HydrophobicContact CD2-CG2 3.86Å; F432-V534 HydrophobicContact CE1-CG1 3.95Å; F432-V534 HydrophobicContact CE2-CG1 4.27Å; F432-V534 HydrophobicContact CE2-CG2 4.31Å; F432-V534 HydrophobicContact CG-CG1 4.12Å; F432-V534 HydrophobicContact CG-CG2 4.16Å; F432-V534 HydrophobicContact CZ-CG1 4.1Å; F432-V590 HydrophobicContact CB-CG1 4.45Å; F432-F592 HydrophobicContact CB-CE2 4.03Å; F432-F592 AromaticContact CD1-CD2 3.97Å; F432-F592 HydrophobicContact CD1-CD2 3.97Å; F432-F592 AromaticContact CD1-CE2 3.38Å; F432-F592 HydrophobicContact CD1-CE2 3.38Å; F432-F592 HydrophobicContact CD1-CZ 4.19Å; F432-F592 HydrophobicContact CE1-CD2 4.39Å; F432-F592 HydrophobicContact CE1-CE2 4.22Å; F432-F592 HydrophobicContact CG-CE2 4.14Å
433	L	96.9	Very high	90	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.7	-42.7	175.7	-72.1	-179.7	0	0	0	112.2	T429 L436 L437 I460 T475 F478	T429-L433 HydrophobicContact CG2-CD1 3.86Å; T429-L433 HydrophobicContact CG2-CG 4.33Å; T429-L433 WeakPolarHBondContact O-CB 3.47Å; T429-L433 WeakPolarHBondContact O-CG 3.48Å; T429-L433 PolarHBondContact O-N 2.85Å; L433-L436 HydrophobicContact CD2-CD2 4.47Å; L433-L436 WeakPolarHBondContact O-CB 3.31Å; L433-L436 PolarHBondContact O-N 3.47Å; L433-L436 VanDerWaalsContact O-N 3.13Å; L433-L437 HydrophobicContact CB-CD1 4.15Å; L433-L437 WeakPolarHBondContact O-CB 3.25Å; L433-L437 WeakPolarHBondContact O-CG 3.22Å; L433-L437 PolarHBondContact O-N 3.39Å; L433-I460 HydrophobicContact CD2-CD1 4.13Å; L433-T475 HydrophobicContact CD1-CG2 4.32Å; L433-T475 HydrophobicContact CD2-CG2 3.89Å; L433-F478 HydrophobicContact CD1-CD2 4.38Å
434	I	96.4	Very high	90.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-48.6	-173.3	-73.1	165.4	0	0	0	112.6	W380 L385 I389 I393 I409 A430 L436 L437 V438	W380-I434 HydrophobicContact CH2-CD1 3.56Å; W380-I434 HydrophobicContact CZ2-CD1 4.45Å; W380-I434 HydrophobicContact CZ3-CD1 3.95Å; L385-I434 HydrophobicContact CD1-CG2 4.13Å; L385-I434 HydrophobicContact CD2-CG2 4.07Å; I389-I434 HydrophobicContact CG2-CG2 4.38Å; I393-I434 HydrophobicContact CD1-CD1 3.78Å; I393-I434 HydrophobicContact CD1-CG1 4.27Å; I393-I434 HydrophobicContact CG1-CD1 4.16Å; I409-I434 HydrophobicContact CD1-CB 4.06Å; I409-I434 HydrophobicContact CD1-CD1 3.68Å; I409-I434 HydrophobicContact CD1-CG1 4.45Å; I409-I434 HydrophobicContact CD1-CG2 4.18Å; I409-I434 HydrophobicContact CG1-CB 4.34Å; I409-I434 HydrophobicContact CG2-CG2 3.88Å; A430-I434 HydrophobicContact CB-CD1 4.25Å; A430-I434 WeakPolarHBondContact O-CB 3.27Å; A430-I434 WeakPolarHBondContact O-CD1 3.21Å; A430-I434 VanDerWaalsContact O-CG1 3.24Å; A430-I434 WeakPolarHBondContact O-CG1 3.43Å; A430-I434 PolarHBondContact O-N 3.32Å; I434-L436 VanDerWaalsContact C-N 3.33Å; I434-L436 PolarHBondContact O-N 2.96Å; I434-L437 PolarHBondContact O-N 2.94Å; I434-V438 HydrophobicContact CG2-CG2 4.45Å; I434-V438 VanDerWaalsContact O-CG2 3.26Å; I434-V438 WeakPolarHBondContact O-CG2 3.29Å; I434-V438 PolarHBondContact O-N 3Å
435	P	96.5	Very high	91.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-40.2	174.5	-24.8	34.6	0	0	0	113.7	I409 L413 A431 W439	I409-P435 HydrophobicContact CB-CG 4.48Å; I409-P435 HydrophobicContact CG2-CG 4.24Å; L413-P435 HydrophobicContact CD2-CB 4.27Å; L413-P435 HydrophobicContact CG-CB 4.47Å; A431-P435 WeakPolarHBondContact O-CD 3.45Å; P435-W439 PolarHBondContact O-N 2.94Å
436	L	96.4	Very high	91.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-46	177	172.6	63.7	0	0	0	111.9	L433 I434 W439 I440 A458 I508 Y532	L433-L436 HydrophobicContact CD2-CD2 4.47Å; L433-L436 WeakPolarHBondContact O-CB 3.31Å; L433-L436 PolarHBondContact O-N 3.47Å; L433-L436 VanDerWaalsContact O-N 3.13Å; I434-L436 VanDerWaalsContact C-N 3.33Å; I434-L436 PolarHBondContact O-N 2.96Å; L436-W439 PolarHBondContact O-N 2.96Å; L436-I440 HydrophobicContact CD1-CD1 3.74Å; L436-I440 HydrophobicContact CD1-CG1 4.04Å; L436-I440 HydrophobicContact CG-CD1 3.95Å; L436-I440 WeakPolarHBondContact O-CG1 3.17Å; L436-I440 PolarHBondContact O-N 3.22Å; L436-A458 HydrophobicContact CD1-CB 3.86Å; L436-A458 HydrophobicContact CD2-CB 3.41Å; L436-A458 VanDerWaalsContact CD2-CB 3.41Å; L436-A458 HydrophobicContact CG-CB 4.28Å; L436-I508 HydrophobicContact CD2-CD1 3.83Å; L436-I508 HydrophobicContact CD2-CG1 4.2Å; L436-Y532 HydrophobicContact CB-CD1 4.33Å; L436-Y532 HydrophobicContact CB-CD2 4.39Å; L436-Y532 HydrophobicContact CB-CE1 4.25Å; L436-Y532 HydrophobicContact CB-CE2 4.31Å; L436-Y532 HydrophobicContact CB-CG 4.4Å; L436-Y532 HydrophobicContact CD1-CD1 4.36Å; L436-Y532 HydrophobicContact CD1-CD2 4.25Å; L436-Y532 HydrophobicContact CD1-CG 3.92Å; L436-Y532 HydrophobicContact CD2-CD1 4.17Å
437	L	95.6	Very high	91.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-39.3	179.3	-64.2	169.9	0	0	0	111.2	I389 L433 I434 T441 F478 L482 I484	I389-L437 HydrophobicContact CD1-CB 4.09Å; L433-L437 HydrophobicContact CB-CD1 4.15Å; L433-L437 WeakPolarHBondContact O-CB 3.25Å; L433-L437 WeakPolarHBondContact O-CG 3.22Å; L433-L437 PolarHBondContact O-N 3.39Å; I434-L437 PolarHBondContact O-N 2.94Å; L437-T441 VanDerWaalsContact O-CB 3.29Å; L437-T441 WeakPolarHBondContact O-CB 3.49Å; L437-T441 VanDerWaalsContact O-CG2 3.25Å; L437-T441 WeakPolarHBondContact O-CG2 3.46Å; L437-T441 PolarHBondContact O-N 3.25Å; L437-T441 PolarHBondContact O-OG1 3.2Å; L437-F478 HydrophobicContact CD1-CB 3.73Å; L437-F478 HydrophobicContact CD1-CD1 4.29Å; L437-F478 HydrophobicContact CD1-CG 4.26Å; L437-L482 HydrophobicContact CB-CD1 4.12Å; L437-L482 HydrophobicContact CD1-CD1 4.25Å; L437-L482 HydrophobicContact CD2-CD1 4.1Å; L437-L482 HydrophobicContact CG-CD1 4.38Å; L437-I484 HydrophobicContact CD2-CD1 3.52Å
438	V	95.4	Very high	90.7	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.055	16%	0.163	C	C	.	.	H	α-helix	trans	-56.1	-54.4	170.9	169.9	0	0	0	0	109.6	L385 P386 I389 L413 I434 T441 T442 F579	L385-V438 HydrophobicContact CD2-CG2 4.02Å; P386-V438 HydrophobicContact CG-CG1 4.19Å; P386-V438 HydrophobicContact CG-CG2 4.42Å; I389-V438 HydrophobicContact CG1-CG2 3.98Å; I389-V438 HydrophobicContact CG2-CG2 4.24Å; L413-V438 HydrophobicContact CD2-CB 3.89Å; L413-V438 HydrophobicContact CD2-CG1 3.73Å; L413-V438 HydrophobicContact CD2-CG2 4.11Å; I434-V438 HydrophobicContact CG2-CG2 4.45Å; I434-V438 VanDerWaalsContact O-CG2 3.26Å; I434-V438 WeakPolarHBondContact O-CG2 3.29Å; I434-V438 PolarHBondContact O-N 3Å; V438-T441 PolarHBondContact O-N 2.98Å; V438-T441 PolarHBondContact O-OG1 3.02Å; V438-T442 HydrophobicContact CG1-CG2 4.47Å; V438-T442 WeakPolarHBondContact O-CG2 3.27Å; V438-T442 PolarHBondContact O-N 2.7Å; V438-T442 PolarHBondContact O-OG1 2.82Å; V438-F579 HydrophobicContact CG1-CE1 4.22Å; V438-F579 HydrophobicContact CG1-CZ 4.35Å
439	W	95.3	Very high	89.7	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-53.2	-179.3	180	78	0	0	0	112.8	P435 L436 T441 T442 L443 Y457 T531 F579 G582 K585	P435-W439 PolarHBondContact O-N 2.94Å; L436-W439 PolarHBondContact O-N 2.96Å; W439-T441 VanDerWaalsContact C-N 3.27Å; W439-T441 PolarHBondContact O-N 3.37Å; W439-T442 PolarHBondContact O-N 3.18Å; W439-T442 PolarHBondContact O-OG1 3.1Å; W439-L443 HydrophobicContact CE3-CD1 4.46Å; W439-L443 HydrophobicContact CH2-CD1 3.8Å; W439-L443 HydrophobicContact CZ2-CD1 4Å; W439-L443 HydrophobicContact CZ2-CD2 3.92Å; W439-L443 HydrophobicContact CZ2-CG 4.33Å; W439-L443 HydrophobicContact CZ3-CD1 4.04Å; W439-L443 WeakPolarHBondContact O-CG 3.32Å; W439-L443 PolarHBondContact O-N 3.43Å; W439-Y457 AromaticContact CH2-CD1 3.57Å; W439-Y457 HydrophobicContact CH2-CD1 3.57Å; W439-Y457 AromaticContact CH2-CE1 3.88Å; W439-Y457 HydrophobicContact CH2-CE1 3.88Å; W439-Y457 HydrophobicContact CH2-CG 4.24Å; W439-Y457 AromaticContact CZ3-CD1 3.62Å; W439-Y457 HydrophobicContact CZ3-CD1 3.62Å; W439-Y457 HydrophobicContact CZ3-CE1 4.21Å; W439-Y457 AromaticContact CZ3-CG 3.8Å; W439-Y457 HydrophobicContact CZ3-CG 3.8Å; W439-T531 HydrophobicContact CE3-CG2 4.2Å; W439-T531 HydrophobicContact CH2-CG2 3.37Å; W439-T531 HydrophobicContact CZ2-CG2 3.82Å; W439-T531 HydrophobicContact CZ3-CG2 3.58Å; W439-F579 HydrophobicContact CB-CE1 4.47Å; W439-F579 HydrophobicContact CB-CE2 3.99Å; W439-F579 HydrophobicContact CB-CZ 3.71Å; W439-F579 HydrophobicContact CG-CE2 4.48Å; W439-F579 HydrophobicContact CG-CZ 4.49Å; W439-G582 VanDerWaalsContact CZ2-O 3.29Å; W439-G582 WeakPolarHBondContact CZ2-O 3.24Å; W439-G582 PolarHBondContact NE1-O 3.32Å; W439-K585 HydrophobicContact CD2-CD 4.38Å; W439-K585 HydrophobicContact CG-CD 4.29Å; W439-K585 HydrophobicContact CZ2-CD 4.47Å; W439-K585 HydrophobicContact CZ2-CG 4.32Å
440	I	93.4	Very high	88.6	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-42.9	179.4	-65.7	172.9	0	0	0	110.6	L436 R448 Y457 I484 E507	L436-I440 HydrophobicContact CD1-CD1 3.74Å; L436-I440 HydrophobicContact CD1-CG1 4.04Å; L436-I440 HydrophobicContact CG-CD1 3.95Å; L436-I440 WeakPolarHBondContact O-CG1 3.17Å; L436-I440 PolarHBondContact O-N 3.22Å; I440-R448 PolarHBondContact O-NE 3.03Å; I440-R448 VanDerWaalsContact O-NE 3.17Å; I440-R448 PolarHBondContact O-NH1 2.86Å; I440-R448 PolarHBondContact O-NH2 3.27Å; I440-Y457 HydrophobicContact CD1-CD2 4.41Å; I440-Y457 HydrophobicContact CG1-CD2 4.36Å; I440-I484 HydrophobicContact CB-CD1 4.04Å; I440-I484 HydrophobicContact CD1-CD1 4.33Å; I440-I484 HydrophobicContact CG2-CD1 3.69Å; I440-I484 HydrophobicContact CG2-CG1 4.03Å; I440-E507 HydrophobicContact CD1-CB 4.39Å
441	T	92.2	Very high	87.5	Confident	20 Å²	20	46.5 Å²	46.5	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-80.3	-13.9	-175.3	61.5	0	0	0	0	114.7	H388 I389 L437 V438 W439 R448 L482 I484	H388-T441 WeakPolarHBondContact NE2-CB 3.16Å; H388-T441 PolarHBondContact NE2-OG1 3.08Å; I389-T441 HydrophobicContact CD1-CG2 4.47Å; L437-T441 VanDerWaalsContact O-CB 3.29Å; L437-T441 WeakPolarHBondContact O-CB 3.49Å; L437-T441 VanDerWaalsContact O-CG2 3.25Å; L437-T441 WeakPolarHBondContact O-CG2 3.46Å; L437-T441 PolarHBondContact O-N 3.25Å; L437-T441 PolarHBondContact O-OG1 3.2Å; V438-T441 PolarHBondContact O-N 2.98Å; V438-T441 PolarHBondContact O-OG1 3.02Å; W439-T441 VanDerWaalsContact C-N 3.27Å; W439-T441 PolarHBondContact O-N 3.37Å; T441-R448 PolarHBondContact O-NH2 3.35Å; T441-L482 HydrophobicContact CG2-CB 4.12Å; T441-L482 HydrophobicContact CG2-CD1 4.18Å; T441-L482 HydrophobicContact CG2-CD2 4.29Å; T441-L482 HydrophobicContact CG2-CG 4.43Å; T441-I484 HydrophobicContact CG2-CD1 3.94Å
442	T	89.7	Confident	86.8	Confident	80 Å²	80	50.4 Å²	50.4	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-94.5	-15	172.5	55.5	0	0	0	0	114.1	P386 V438 W439	P386-T442 HydrophobicContact CG-CG2 4.35Å; V438-T442 HydrophobicContact CG1-CG2 4.47Å; V438-T442 WeakPolarHBondContact O-CG2 3.27Å; V438-T442 PolarHBondContact O-N 2.7Å; V438-T442 PolarHBondContact O-OG1 2.82Å; W439-T442 PolarHBondContact O-N 3.18Å; W439-T442 PolarHBondContact O-OG1 3.1Å
443	L	89.2	Confident	86.1	Confident	3 Å²	3	55 Å²	55	2%	0.016	29%	0.289	C	S	.	.	S	Bend	trans	-52.3	132.1	172.4	-72.9	177.7	0	0	0	111.5	W439 R448 Y457 G582	W439-L443 HydrophobicContact CE3-CD1 4.46Å; W439-L443 HydrophobicContact CH2-CD1 3.8Å; W439-L443 HydrophobicContact CZ2-CD1 4Å; W439-L443 HydrophobicContact CZ2-CD2 3.92Å; W439-L443 HydrophobicContact CZ2-CG 4.33Å; W439-L443 HydrophobicContact CZ3-CD1 4.04Å; W439-L443 WeakPolarHBondContact O-CG 3.32Å; W439-L443 PolarHBondContact O-N 3.43Å; L443-R448 HydrophobicContact CB-CG 3.87Å; L443-R448 HydrophobicContact CD1-CG 4.3Å; L443-R448 PolarHBondContact O-NE 3.49Å; L443-R448 PolarHBondContact O-NH2 2.77Å; L443-Y457 HydrophobicContact CD1-CE1 4.44Å; L443-G582 VanDerWaalsContact CD2-C 3.49Å
444	P	87.4	Confident	85.5	Confident	66 Å²	66	58.5 Å²	58.5	43%	0.429	31%	0.305	S	S	.	.			trans	-51.9	147	172.8	-28.2	36	0	0	0	112.6	I446 D447 R448	P444-I446 HydrophobicContact CB-CG2 4.15Å; P444-I446 PolarHBondContact O-N 3.36Å; P444-D447 HydrophobicContact CB-CB 4.47Å; P444-D447 WeakPolarHBondContact CB-OD2 3.29Å; P444-D447 VanDerWaalsContact CD-OD2 3.3Å; P444-D447 WeakPolarHBondContact CD-OD2 3.32Å; P444-D447 WeakPolarHBondContact CG-OD2 3.46Å; P444-D447 PolarHBondContact O-N 3.08Å; P444-D447 VanDerWaalsContact O-N 3.1Å; P444-R448 PolarHBondContact O-N 3.36Å
445	K	80.9	Confident	85.2	Confident	177 Å²	177	58.9 Å²	58.9	77%	0.77	31%	0.309	S	S	*	.	H	α-helix	trans	-59.8	-35.5	-178.2	-67	-174.6	-179	179.5	0	112.4	R448 I449	K445-R448 PolarHBondContact O-N 3.1Å; K445-I449 WeakPolarHBondContact O-CD1 3.47Å; K445-I449 WeakPolarHBondContact O-CG1 3.34Å; K445-I449 PolarHBondContact O-N 2.89Å
446	I	77.1	Confident	85.1	Confident	135 Å²	135	58.8 Å²	58.8	69%	0.692	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-38.8	177.2	-166.3	164.7	0	0	0	112	P444 R448 I449	P444-I446 HydrophobicContact CB-CG2 4.15Å; P444-I446 PolarHBondContact O-N 3.36Å; I446-R448 VanDerWaalsContact C-N 3.29Å; I446-R448 PolarHBondContact O-N 2.89Å; I446-I449 PolarHBondContact O-N 2.88Å
447	D	75.7	Confident	85	Confident	51 Å²	51	59.2 Å²	59.2	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-73	-22	-179.1	-65.3	-36.8	0	0	0	113.5	P444 K583	P444-D447 HydrophobicContact CB-CB 4.47Å; P444-D447 WeakPolarHBondContact CB-OD2 3.29Å; P444-D447 VanDerWaalsContact CD-OD2 3.3Å; P444-D447 WeakPolarHBondContact CD-OD2 3.32Å; P444-D447 WeakPolarHBondContact CG-OD2 3.46Å; P444-D447 PolarHBondContact O-N 3.08Å; P444-D447 VanDerWaalsContact O-N 3.1Å; D447-K583 HydrophobicContact CB-CD 4.21Å; D447-K583 PolarHBondContact O-NZ 3.07Å
448	R	72.3	Confident	85	Confident	94 Å²	94	59.1 Å²	59.1	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-86.1	-21.4	174.6	-64.2	-166.3	-137	-179.2	5.4	114.1	I440 T441 L443 P444 K445 I446 E450	I440-R448 PolarHBondContact O-NE 3.03Å; I440-R448 VanDerWaalsContact O-NE 3.17Å; I440-R448 PolarHBondContact O-NH1 2.86Å; I440-R448 PolarHBondContact O-NH2 3.27Å; T441-R448 PolarHBondContact O-NH2 3.35Å; L443-R448 HydrophobicContact CB-CG 3.87Å; L443-R448 HydrophobicContact CD1-CG 4.3Å; L443-R448 PolarHBondContact O-NE 3.49Å; L443-R448 PolarHBondContact O-NH2 2.77Å; P444-R448 PolarHBondContact O-N 3.36Å; K445-R448 PolarHBondContact O-N 3.1Å; I446-R448 VanDerWaalsContact C-N 3.29Å; I446-R448 PolarHBondContact O-N 2.89Å; R448-E450 PolarHBondContact O-N 2.84Å
449	I	71.3	Confident	85.1	Confident	123 Å²	123	58.8 Å²	58.8	63%	0.631	31%	0.308	S	S	*	.			trans	-81.7	104.8	176.2	-66.4	163.1	0	0	0	106.5	K445 I446	K445-I449 WeakPolarHBondContact O-CD1 3.47Å; K445-I449 WeakPolarHBondContact O-CG1 3.34Å; K445-I449 PolarHBondContact O-N 2.89Å; I446-I449 PolarHBondContact O-N 2.88Å
450	E	70.9	Confident	85.2	Confident	40 Å²	40	58.5 Å²	58.5	19%	0.187	31%	0.307	C	S	.	.			trans	-119.7	130.4	170.9	-61.1	-166.8	123.6	0	0	108.5	R448 S452 Q454 R529 K583	R448-E450 PolarHBondContact O-N 2.84Å; E450-S452 PolarHBondContact O-N 3.06Å; E450-Q454 PolarHBondContact OE1-NE2 2.97Å; E450-Q454 PolarHBondContact OE1-OE1 3.17Å; E450-Q454 PolarHBondContact OE2-NE2 2.78Å; E450-R529 WeakPolarHBondContact OE2-CD 3.42Å; E450-R529 IonicContact OE2-CZ 3.07Å; E450-R529 IonicContact OE2-NE 3.29Å; E450-R529 IonicContact OE2-NH1 2.72Å; E450-R529 PolarHBondContact OE2-NH1 2.96Å; E450-K583 WeakPolarHBondContact OE1-CE 3.5Å; E450-K583 IonicContact OE1-NZ 2.62Å; E450-K583 PolarHBondContact OE1-NZ 3.4Å
451	D	72.3	Confident	85.4	Confident	162 Å²	162	58.4 Å²	58.4	87%	0.866	31%	0.306	S	S	*	.	S	Bend	trans	-72.6	4.3	-178.4	-54.2	-53.4	0	0	0	113.4
452	S	81.2	Confident	85.6	Confident	84 Å²	84	57.5 Å²	57.5	59%	0.587	30%	0.3	S	S	*	.	S	Bend	trans	-149.9	137.7	-177.4	-66.3	0	0	0	0	111.2	E450 Q454	E450-S452 PolarHBondContact O-N 3.06Å; S452-Q454 PolarHBondContact O-N 2.84Å; S452-Q454 VanDerWaalsContact O-N 3.11Å
453	D	83	Confident	85.7	Confident	98 Å²	98	53.8 Å²	53.8	52%	0.524	28%	0.278	S	S	.	.			trans	-72.7	100.8	178.4	-80	-53.8	0	0	0	111.8	G455 G505	D453-G455 VanDerWaalsContact C-N 3.27Å; D453-G455 PolarHBondContact O-N 3.41Å; D453-G505 WeakPolarHBondContact OD1-CA 3.4Å
454	Q	84	Confident	85.7	Confident	73 Å²	73	54.4 Å²	54.4	34%	0.341	28%	0.281	S	S	.	.			trans	-86.1	13	178.7	-60.1	178.8	18	0	0	114.3	E450 S452 G528 R529	E450-Q454 PolarHBondContact OE1-NE2 2.97Å; E450-Q454 PolarHBondContact OE1-OE1 3.17Å; E450-Q454 PolarHBondContact OE2-NE2 2.78Å; S452-Q454 PolarHBondContact O-N 2.84Å; S452-Q454 VanDerWaalsContact O-N 3.11Å; Q454-G528 PolarHBondContact O-N 3.19Å; Q454-R529 HydrophobicContact CB-CB 4.38Å; Q454-R529 HydrophobicContact CB-CG 3.98Å
455	G	88.6	Confident	85.7	Confident	9 Å²	9	55.2 Å²	55.2	9%	0.093	28%	0.276	C	S	.	.			trans	83.7	-160.8	-173.8	0	0	0	0	0	113.9	D453 V526 R529	D453-G455 VanDerWaalsContact C-N 3.27Å; D453-G455 PolarHBondContact O-N 3.41Å; G455-V526 WeakPolarHBondContact CA-O 3.22Å; G455-R529 VanDerWaalsContact O-CZ 3.23Å; G455-R529 PolarHBondContact O-NE 2.84Å; G455-R529 PolarHBondContact O-NH2 2.91Å
456	P	94.4	Very high	86	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.			trans	-84.9	155.7	-174	35.1	-35.6	0	0	0	112.8	A458 V459 C506 E507 V509 V526 L527 R529 C530	P456-A458 WeakPolarHBondContact CB-O 3.36Å; P456-V459 HydrophobicContact CG-CG2 3.99Å; P456-C506 WeakPolarHBondContact CA-O 3.47Å; P456-E507 WeakPolarHBondContact CB-O 3.33Å; P456-V509 HydrophobicContact CB-CB 4.31Å; P456-V509 HydrophobicContact CB-CG2 3.92Å; P456-V509 HydrophobicContact CG-CB 4.12Å; P456-V509 HydrophobicContact CG-CG2 3.82Å; P456-V526 WeakPolarHBondContact CD-O 3.4Å; P456-L527 HydrophobicContact CG-CD2 3.96Å; P456-R529 CarbonylContact O-C 3.49Å; P456-C530 WeakPolarHBondContact O-CA 3.31Å; P456-C530 PolarHBondContact O-N 2.84Å
457	Y	94.9	Very high	86.4	Confident	9 Å²	9	44 Å²	44	4%	0.035	22%	0.224	C	C	.	.	S	Bend	trans	-74.4	-30.4	164.7	-70.1	-64.2	0	0	0	112	W439 I440 L443 E507 R529 T531 Y532	W439-Y457 AromaticContact CH2-CD1 3.57Å; W439-Y457 HydrophobicContact CH2-CD1 3.57Å; W439-Y457 AromaticContact CH2-CE1 3.88Å; W439-Y457 HydrophobicContact CH2-CE1 3.88Å; W439-Y457 HydrophobicContact CH2-CG 4.24Å; W439-Y457 AromaticContact CZ3-CD1 3.62Å; W439-Y457 HydrophobicContact CZ3-CD1 3.62Å; W439-Y457 HydrophobicContact CZ3-CE1 4.21Å; W439-Y457 AromaticContact CZ3-CG 3.8Å; W439-Y457 HydrophobicContact CZ3-CG 3.8Å; I440-Y457 HydrophobicContact CD1-CD2 4.41Å; I440-Y457 HydrophobicContact CG1-CD2 4.36Å; L443-Y457 HydrophobicContact CD1-CE1 4.44Å; Y457-E507 HydrophobicContact CD2-CB 4.14Å; Y457-E507 HydrophobicContact CD2-CG 3.98Å; Y457-E507 HydrophobicContact CE2-CG 4.19Å; Y457-E507 PolarHBondContact N-O 3.18Å; Y457-R529 HydrophobicContact CD1-CG 4.15Å; Y457-R529 HydrophobicContact CE1-CG 4.26Å; Y457-T531 PolarHBondContact O-N 3.38Å; Y457-Y532 PolarHBondContact O-N 3.17Å; Y457-Y532 VanDerWaalsContact O-N 3.15Å
458	A	96.9	Very high	87.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.2	-176.8	0	0	0	0	0	113.5	L436 P456 E507 I508 V509 Y532	L436-A458 HydrophobicContact CD1-CB 3.86Å; L436-A458 HydrophobicContact CD2-CB 3.41Å; L436-A458 VanDerWaalsContact CD2-CB 3.41Å; L436-A458 HydrophobicContact CG-CB 4.28Å; P456-A458 WeakPolarHBondContact CB-O 3.36Å; A458-E507 PolarHBondContact N-O 2.9Å; A458-I508 HydrophobicContact CB-CG1 4.36Å; A458-I508 HydrophobicContact CB-CG2 4.38Å; A458-V509 PolarHBondContact O-N 3.06Å; A458-Y532 VanDerWaalsContact CA-O 3.27Å; A458-Y532 WeakPolarHBondContact CA-O 3.29Å; A458-Y532 HydrophobicContact CB-CD1 4.41Å
459	V	97.1	Very high	88.1	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.4	168.3	176.8	0	0	0	0	109.2	P456 L461 V509 L516 L527 Y532 V534	P456-V459 HydrophobicContact CG-CG2 3.99Å; V459-L461 HydrophobicContact CG1-CG 4.24Å; V459-V509 WeakPolarHBondContact CA-O 3.49Å; V459-L516 HydrophobicContact CG1-CD2 3.7Å; V459-L527 HydrophobicContact CG2-CD1 4.37Å; V459-L527 HydrophobicContact CG2-CD2 3.51Å; V459-Y532 PolarHBondContact N-O 3.12Å; V459-V534 PolarHBondContact O-N 2.99Å
460	I	97.7	Very high	88.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.5	174.1	-58	152.7	0	0	0	108.4	F432 L433 I471 I508 V509 I510 A511 V534	F432-I460 HydrophobicContact CE2-CD1 3.7Å; F432-I460 HydrophobicContact CE2-CG1 3.91Å; F432-I460 HydrophobicContact CE2-CG2 4.16Å; F432-I460 HydrophobicContact CZ-CG2 4.01Å; L433-I460 HydrophobicContact CD2-CD1 4.13Å; I460-I471 HydrophobicContact CD1-CG2 4.27Å; I460-I471 HydrophobicContact CG2-CD1 4.17Å; I460-I471 HydrophobicContact CG2-CG2 3.93Å; I460-I508 HydrophobicContact CD1-CG2 3.72Å; I460-V509 PolarHBondContact N-O 2.8Å; I460-I510 HydrophobicContact CB-CG1 4.19Å; I460-I510 HydrophobicContact CD1-CG1 3.92Å; I460-I510 CarbonylContact O-C 3.58Å; I460-I510 WeakPolarHBondContact O-CA 3.36Å; I460-A511 PolarHBondContact O-N 2.84Å; I460-V534 HydrophobicContact CB-CB 4.25Å; I460-V534 HydrophobicContact CG1-CB 4.01Å; I460-V534 HydrophobicContact CG1-CG2 4.01Å; I460-V534 HydrophobicContact CG2-CB 4.05Å; I460-V534 HydrophobicContact CG2-CG1 4.19Å
461	L	97.1	Very high	90	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.5	175.3	-75.4	166.1	0	0	0	110.6	V459 A511 P513 L516 V534 L535 D536 M541 I553	V459-L461 HydrophobicContact CG1-CG 4.24Å; L461-A511 WeakPolarHBondContact CA-O 3.49Å; L461-A511 HydrophobicContact CD2-CB 4.26Å; L461-P513 HydrophobicContact CD2-CG 4.24Å; L461-L516 HydrophobicContact CD2-CB 4.38Å; L461-L516 HydrophobicContact CD2-CD2 3.8Å; L461-L516 HydrophobicContact CG-CD2 4.41Å; L461-V534 PolarHBondContact N-O 3.18Å; L461-L535 HydrophobicContact CB-CD2 4Å; L461-L535 HydrophobicContact CD1-CD2 3.6Å; L461-L535 HydrophobicContact CG-CD2 4.41Å; L461-D536 PolarHBondContact O-N 3.15Å; L461-M541 VanDerWaalsContact C-CE 3.48Å; L461-M541 HydrophobicContact CB-CE 3.72Å; L461-M541 VanDerWaalsContact O-CE 3.24Å; L461-M541 WeakPolarHBondContact O-CE 3.42Å; L461-I553 HydrophobicContact CD1-CD1 4.31Å; L461-I553 HydrophobicContact CD1-CG2 4.21Å; L461-I553 HydrophobicContact CD2-CD1 4.23Å
462	A	95.4	Very high	91.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.			trans	-131.8	143.5	171.1	0	0	0	0	0	110.5	T464 L467 A468 I471 A511 T512 P513	A462-T464 VanDerWaalsContact C-N 3.33Å; A462-T464 PolarHBondContact O-N 2.89Å; A462-L467 HydrophobicContact CB-CB 4.26Å; A462-L467 HydrophobicContact CB-CD2 4.09Å; A462-L467 HydrophobicContact CB-CG 3.96Å; A462-A468 HydrophobicContact CB-CB 4.16Å; A462-I471 HydrophobicContact CB-CD1 4.03Å; A462-A511 PolarHBondContact N-O 3.13Å; A462-T512 WeakPolarHBondContact O-CA 3.28Å; A462-P513 WeakPolarHBondContact O-CD 3.11Å
463	P	92.3	Very high	91.6	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.019	15%	0.146	C	C	.	.	S	Bend	trans	-63.4	-31.5	-176.3	23	-36.8	0	0	0	114.3	L467 D536 E537 R540 M541 M544 F546	P463-L467 HydrophobicContact CG-CD2 4.3Å; P463-D536 WeakPolarHBondContact CD-O 3.41Å; P463-E537 HydrophobicContact CG-CB 3.75Å; P463-R540 HydrophobicContact CB-CB 4.3Å; P463-R540 HydrophobicContact CB-CG 4.09Å; P463-R540 HydrophobicContact CG-CB 4.03Å; P463-R540 HydrophobicContact CG-CG 4.03Å; P463-M541 HydrophobicContact CB-CG 3.83Å; P463-M541 HydrophobicContact CG-CG 4.37Å; P463-M544 HydrophobicContact CB-SD 3.98Å; P463-F546 WeakPolarHBondContact O-CE2 3.35Å
464	T	89.6	Confident	92.1	Very high	15 Å²	15	27.7 Å²	27.7	9%	0.092	13%	0.13	C	C	.	.	S	Bend	trans	-126.2	155.6	-177.1	82.5	0	0	0	0	113.2	A462 E466 L467 A468 M544	A462-T464 VanDerWaalsContact C-N 3.33Å; A462-T464 PolarHBondContact O-N 2.89Å; T464-E466 VanDerWaalsContact C-N 3.28Å; T464-E466 PolarHBondContact O-N 3.04Å; T464-E466 PolarHBondContact OG1-OE2 3.14Å; T464-L467 PolarHBondContact O-N 3.43Å; T464-L467 PolarHBondContact OG1-N 3.23Å; T464-A468 WeakPolarHBondContact O-CB 3.31Å; T464-A468 PolarHBondContact O-N 3.21Å; T464-M544 HydrophobicContact CG2-CE 4.24Å; T464-M544 HydrophobicContact CG2-SD 3.82Å
465	R	88.1	Confident	92.7	Very high	83 Å²	83	24.2 Å²	24.2	31%	0.313	11%	0.114	S	C	.	.	H	α-helix	trans	-55.1	-45.6	175.4	-175.2	-159.2	173	139.8	10.6	111.2	L467 A468 Q469 I490 G491 G492	R465-L467 PolarHBondContact O-N 3.03Å; R465-A468 PolarHBondContact O-N 3.15Å; R465-Q469 WeakPolarHBondContact O-CG 3.31Å; R465-Q469 PolarHBondContact O-N 3.37Å; R465-I490 HydrophobicContact CG-CB 4.33Å; R465-I490 HydrophobicContact CG-CD1 3.83Å; R465-I490 HydrophobicContact CG-CG1 4.29Å; R465-G491 VanDerWaalsContact CD-O 3.29Å; R465-G491 WeakPolarHBondContact CD-O 3.38Å; R465-G491 PolarHBondContact NE-O 2.84Å; R465-G491 PolarHBondContact NH1-O 2.82Å; R465-G492 VanDerWaalsContact NH1-C 3.32Å; R465-G492 PolarHBondContact NH1-O 2.6Å; R465-G492 PolarHBondContact NH2-O 3.3Å
466	E	85.8	Confident	93	Very high	67 Å²	67	26 Å²	26	31%	0.313	12%	0.12	S	C	.	.	H	α-helix	trans	-61.2	-44.9	-177.3	-66.9	81.8	177.6	0	0	112.2	T464 Q469 Q470 R690	T464-E466 VanDerWaalsContact C-N 3.28Å; T464-E466 PolarHBondContact O-N 3.04Å; T464-E466 PolarHBondContact OG1-OE2 3.14Å; E466-Q469 PolarHBondContact O-N 3.09Å; E466-Q470 WeakPolarHBondContact O-CG 3.3Å; E466-Q470 PolarHBondContact O-N 3.23Å; E466-Q470 VanDerWaalsContact O-N 3.09Å; E466-R690 IonicContact OE1-NH1 3.49Å; E466-R690 PolarHBondContact OE1-NH1 3.24Å
467	L	86.9	Confident	92.9	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-40.5	177.3	179.5	58.5	0	0	0	111.2	T424 A462 P463 T464 R465 Q469 Q470 I471 E537	T424-L467 HydrophobicContact CG2-CD1 4.21Å; A462-L467 HydrophobicContact CB-CB 4.26Å; A462-L467 HydrophobicContact CB-CD2 4.09Å; A462-L467 HydrophobicContact CB-CG 3.96Å; P463-L467 HydrophobicContact CG-CD2 4.3Å; T464-L467 PolarHBondContact O-N 3.43Å; T464-L467 PolarHBondContact OG1-N 3.23Å; R465-L467 PolarHBondContact O-N 3.03Å; L467-Q469 VanDerWaalsContact C-N 3.28Å; L467-Q469 PolarHBondContact O-N 3.26Å; L467-Q470 PolarHBondContact O-N 3.26Å; L467-I471 HydrophobicContact CD1-CD1 4.24Å; L467-I471 HydrophobicContact CD1-CG1 4.36Å; L467-I471 HydrophobicContact CG-CD1 4.04Å; L467-I471 WeakPolarHBondContact O-CG1 3.34Å; L467-I471 PolarHBondContact O-N 2.81Å; L467-E537 HydrophobicContact CD2-CB 4.09Å; L467-E537 HydrophobicContact CD2-CG 3.72Å; L467-E537 WeakPolarHBondContact CD2-OE2 3.28Å
468	A	92.1	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-37.2	174.4	0	0	0	0	0	112.6	A462 T464 R465 E472 I490 I510 T512	A462-A468 HydrophobicContact CB-CB 4.16Å; T464-A468 WeakPolarHBondContact O-CB 3.31Å; T464-A468 PolarHBondContact O-N 3.21Å; R465-A468 PolarHBondContact O-N 3.15Å; A468-E472 WeakPolarHBondContact O-CB 3.31Å; A468-E472 PolarHBondContact O-N 2.89Å; A468-I490 HydrophobicContact CB-CG2 3.57Å; A468-I510 HydrophobicContact CB-CG2 4.04Å; A468-I510 WeakPolarHBondContact O-CG2 3.44Å; A468-T512 HydrophobicContact CB-CG2 4.46Å
469	Q	89.8	Confident	92.7	Very high	43 Å²	43	30.4 Å²	30.4	20%	0.201	14%	0.14	C	C	.	.	H	α-helix	trans	-69.3	-39	175.1	-71.6	179.6	-69	0	0	112.5	R465 E466 L467 I471 E472 E473 I490	R465-Q469 WeakPolarHBondContact O-CG 3.31Å; R465-Q469 PolarHBondContact O-N 3.37Å; E466-Q469 PolarHBondContact O-N 3.09Å; L467-Q469 VanDerWaalsContact C-N 3.28Å; L467-Q469 PolarHBondContact O-N 3.26Å; Q469-I471 VanDerWaalsContact C-N 3.35Å; Q469-I471 PolarHBondContact O-N 3.27Å; Q469-E472 WeakPolarHBondContact O-CB 3.39Å; Q469-E472 PolarHBondContact O-N 3.33Å; Q469-E472 VanDerWaalsContact O-N 3.14Å; Q469-E473 WeakPolarHBondContact O-CG 3.36Å; Q469-E473 PolarHBondContact O-N 3.21Å; Q469-I490 HydrophobicContact CG-CD1 3.45Å; Q469-I490 VanDerWaalsContact CG-CD1 3.45Å
470	Q	89.3	Confident	92.5	Very high	77 Å²	77	37.7 Å²	37.7	36%	0.36	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-43.4	173.9	-70.7	171.8	-3.3	0	0	111.8	E466 L467 E472 E473 E474 G714	E466-Q470 WeakPolarHBondContact O-CG 3.3Å; E466-Q470 PolarHBondContact O-N 3.23Å; E466-Q470 VanDerWaalsContact O-N 3.09Å; L467-Q470 PolarHBondContact O-N 3.26Å; Q470-E472 VanDerWaalsContact C-N 3.32Å; Q470-E473 PolarHBondContact O-N 3.4Å; Q470-E474 PolarHBondContact O-N 3.21Å; Q470-E474 VanDerWaalsContact O-N 3.11Å; Q470-G714 PolarHBondContact NE2-O 2.8Å
471	I	93.8	Very high	92.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-38.5	173.4	-62.8	167.1	0	0	0	110.1	T429 F432 I460 A462 L467 Q469 T475 I510 D536	T429-I471 HydrophobicContact CG2-CB 4.45Å; T429-I471 HydrophobicContact CG2-CG1 4.35Å; T429-I471 HydrophobicContact CG2-CG2 4.08Å; F432-I471 HydrophobicContact CZ-CG2 4.27Å; I460-I471 HydrophobicContact CD1-CG2 4.27Å; I460-I471 HydrophobicContact CG2-CD1 4.17Å; I460-I471 HydrophobicContact CG2-CG2 3.93Å; A462-I471 HydrophobicContact CB-CD1 4.03Å; L467-I471 HydrophobicContact CD1-CD1 4.24Å; L467-I471 HydrophobicContact CD1-CG1 4.36Å; L467-I471 HydrophobicContact CG-CD1 4.04Å; L467-I471 WeakPolarHBondContact O-CG1 3.34Å; L467-I471 PolarHBondContact O-N 2.81Å; Q469-I471 VanDerWaalsContact C-N 3.35Å; Q469-I471 PolarHBondContact O-N 3.27Å; I471-T475 WeakPolarHBondContact O-CB 3.44Å; I471-T475 PolarHBondContact O-N 2.96Å; I471-T475 PolarHBondContact O-OG1 3.31Å; I471-I510 HydrophobicContact CB-CG2 4.23Å; I471-I510 HydrophobicContact CG2-CD1 3.87Å; I471-I510 HydrophobicContact CG2-CG1 4.15Å; I471-I510 HydrophobicContact CG2-CG2 4.06Å; I471-D536 HydrophobicContact CD1-CB 4.36Å
472	E	94.7	Very high	92.1	Very high	23 Å²	23	43 Å²	43	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-48.9	176.5	-179.5	-179.8	-153.2	0	0	111.8	A468 Q469 Q470 E474 T475 I476 A488 I510	A468-E472 WeakPolarHBondContact O-CB 3.31Å; A468-E472 PolarHBondContact O-N 2.89Å; Q469-E472 WeakPolarHBondContact O-CB 3.39Å; Q469-E472 PolarHBondContact O-N 3.33Å; Q469-E472 VanDerWaalsContact O-N 3.14Å; Q470-E472 VanDerWaalsContact C-N 3.32Å; E472-E474 PolarHBondContact O-N 3.23Å; E472-T475 PolarHBondContact O-N 2.59Å; E472-I476 HydrophobicContact CG-CD1 3.65Å; E472-I476 HydrophobicContact CG-CG1 4.29Å; E472-I476 VanDerWaalsContact O-CB 3.26Å; E472-I476 WeakPolarHBondContact O-CB 3.48Å; E472-I476 VanDerWaalsContact O-CG1 3.23Å; E472-I476 WeakPolarHBondContact O-CG1 3.23Å; E472-I476 PolarHBondContact O-N 3.26Å; E472-A488 HydrophobicContact CG-CB 4.26Å; E472-A488 WeakPolarHBondContact OE1-CB 3.48Å; E472-A488 VanDerWaalsContact OE2-CB 3.23Å; E472-A488 WeakPolarHBondContact OE2-CB 3.32Å; E472-I510 VanDerWaalsContact CA-CD1 3.44Å; E472-I510 HydrophobicContact CB-CD1 3.98Å
473	E	92.8	Very high	91.9	Very high	127 Å²	127	46.1 Å²	46.1	59%	0.593	24%	0.236	S	C	*	.	H	α-helix	trans	-59.5	-47.2	178.4	-72.7	171.1	-159.2	0	0	112.1	Q469 Q470 I476 K477	Q469-E473 WeakPolarHBondContact O-CG 3.36Å; Q469-E473 PolarHBondContact O-N 3.21Å; Q470-E473 PolarHBondContact O-N 3.4Å; E473-I476 PolarHBondContact O-N 3.38Å; E473-K477 WeakPolarHBondContact O-CB 3.37Å; E473-K477 PolarHBondContact O-N 3.17Å
474	E	93.5	Very high	92	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-42.9	177.3	-167	171.4	179.1	0	0	111.3	Y398 T429 Q470 E472 I476 K477 F478	Y398-E474 VanDerWaalsContact OH-CD 3.28Å; Y398-E474 PolarHBondContact OH-OE1 2.84Å; T429-E474 WeakPolarHBondContact CB-OE2 3.48Å; T429-E474 HydrophobicContact CG2-CB 4.08Å; T429-E474 HydrophobicContact CG2-CG 4.05Å; T429-E474 WeakPolarHBondContact CG2-OE2 3.2Å; T429-E474 PolarHBondContact OG1-OE2 3.11Å; Q470-E474 PolarHBondContact O-N 3.21Å; Q470-E474 VanDerWaalsContact O-N 3.11Å; E472-E474 PolarHBondContact O-N 3.23Å; E474-I476 PolarHBondContact O-N 3.41Å; E474-K477 WeakPolarHBondContact O-CB 3.19Å; E474-K477 PolarHBondContact O-N 3.3Å; E474-F478 HydrophobicContact CG-CD2 4.25Å; E474-F478 HydrophobicContact CG-CE2 4.17Å; E474-F478 WeakPolarHBondContact O-CD2 3.3Å; E474-F478 PolarHBondContact O-N 2.84Å; E474-F478 VanDerWaalsContact O-N 3.16Å
475	T	95.7	Very high	92.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-41.5	176.6	-54.1	0	0	0	0	111.8	L433 I471 E472 K477 F478 G479 T486 I508 I510	L433-T475 HydrophobicContact CD1-CG2 4.32Å; L433-T475 HydrophobicContact CD2-CG2 3.89Å; I471-T475 WeakPolarHBondContact O-CB 3.44Å; I471-T475 PolarHBondContact O-N 2.96Å; I471-T475 PolarHBondContact O-OG1 3.31Å; E472-T475 PolarHBondContact O-N 2.59Å; T475-K477 VanDerWaalsContact C-N 3.33Å; T475-K477 PolarHBondContact O-N 3.4Å; T475-F478 PolarHBondContact O-N 3.28Å; T475-G479 WeakPolarHBondContact O-CA 3.48Å; T475-G479 PolarHBondContact O-N 2.97Å; T475-T486 HydrophobicContact CG2-CG2 3.81Å; T475-T486 WeakPolarHBondContact CG2-OG1 3.34Å; T475-I508 HydrophobicContact CG2-CD1 3.8Å; T475-I508 HydrophobicContact CG2-CG2 4.27Å; T475-I510 HydrophobicContact CG2-CD1 4.3Å
476	I	94.9	Very high	92.4	Very high	46 Å²	46	48 Å²	48	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-39.8	176.7	-77.7	175.3	0	0	0	111	E472 E473 E474 F478 G479 K480	E472-I476 HydrophobicContact CG-CD1 3.65Å; E472-I476 HydrophobicContact CG-CG1 4.29Å; E472-I476 VanDerWaalsContact O-CB 3.26Å; E472-I476 WeakPolarHBondContact O-CB 3.48Å; E472-I476 VanDerWaalsContact O-CG1 3.23Å; E472-I476 WeakPolarHBondContact O-CG1 3.23Å; E472-I476 PolarHBondContact O-N 3.26Å; E473-I476 PolarHBondContact O-N 3.38Å; E474-I476 PolarHBondContact O-N 3.41Å; I476-F478 PolarHBondContact O-N 3.43Å; I476-G479 PolarHBondContact O-N 3.12Å; I476-K480 HydrophobicContact CG2-CD 3.63Å; I476-K480 HydrophobicContact CG2-CG 4.06Å; I476-K480 WeakPolarHBondContact O-CB 3.32Å; I476-K480 PolarHBondContact O-N 3.26Å
477	K	93.4	Very high	92.9	Very high	98 Å²	98	45.3 Å²	45.3	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-41.2	178	-171.1	-171.2	170.9	-174.5	0	111.9	C396 E473 E474 T475 P481	C396-K477 WeakPolarHBondContact O-CE 3.47Å; C396-K477 PolarHBondContact O-NZ 2.71Å; E473-K477 WeakPolarHBondContact O-CB 3.37Å; E473-K477 PolarHBondContact O-N 3.17Å; E474-K477 WeakPolarHBondContact O-CB 3.19Å; E474-K477 PolarHBondContact O-N 3.3Å; T475-K477 VanDerWaalsContact C-N 3.33Å; T475-K477 PolarHBondContact O-N 3.4Å; K477-P481 VanDerWaalsContact O-CD 3.29Å; K477-P481 WeakPolarHBondContact O-CD 3.25Å
478	F	93.8	Very high	93.2	Very high	3 Å²	3	45 Å²	45	1%	0.013	23%	0.231	C	C	.	.	H	α-helix	trans	-80	-37.8	174.5	-80.9	-81.5	0	0	0	114	V392 I393 C396 Y398 A430 L433 L437 E474 T475 I476	V392-F478 HydrophobicContact CG1-CD1 3.81Å; I393-F478 HydrophobicContact CG1-CE1 4.03Å; C396-F478 HydrophobicContact CB-CE1 4.22Å; C396-F478 HydrophobicContact CB-CZ 4.16Å; Y398-F478 HydrophobicContact CD1-CZ 4.48Å; Y398-F478 HydrophobicContact CD2-CE2 4.36Å; Y398-F478 AromaticContact CD2-CZ 3.76Å; Y398-F478 HydrophobicContact CD2-CZ 3.76Å; Y398-F478 HydrophobicContact CE1-CE2 4.4Å; Y398-F478 HydrophobicContact CE1-CZ 4.28Å; Y398-F478 AromaticContact CE2-CE2 3.69Å; Y398-F478 HydrophobicContact CE2-CE2 3.69Å; Y398-F478 AromaticContact CE2-CZ 3.56Å; Y398-F478 HydrophobicContact CE2-CZ 3.56Å; Y398-F478 HydrophobicContact CG-CZ 4.24Å; Y398-F478 AromaticContact CZ-CE2 3.71Å; Y398-F478 AromaticContact CZ-CZ 3.83Å; A430-F478 HydrophobicContact CB-CE2 4.14Å; A430-F478 HydrophobicContact CB-CZ 4.14Å; L433-F478 HydrophobicContact CD1-CD2 4.38Å; L437-F478 HydrophobicContact CD1-CB 3.73Å; L437-F478 HydrophobicContact CD1-CD1 4.29Å; L437-F478 HydrophobicContact CD1-CG 4.26Å; E474-F478 HydrophobicContact CG-CD2 4.25Å; E474-F478 HydrophobicContact CG-CE2 4.17Å; E474-F478 WeakPolarHBondContact O-CD2 3.3Å; E474-F478 PolarHBondContact O-N 2.84Å; E474-F478 VanDerWaalsContact O-N 3.16Å; T475-F478 PolarHBondContact O-N 3.28Å; I476-F478 PolarHBondContact O-N 3.43Å
479	G	93.3	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-80.3	-39.7	-170.5	0	0	0	0	0	114.5	T475 I476 L482 G483 I484	T475-G479 WeakPolarHBondContact O-CA 3.48Å; T475-G479 PolarHBondContact O-N 2.97Å; I476-G479 PolarHBondContact O-N 3.12Å; G479-L482 CarbonylContact O-C 3.58Å; G479-L482 WeakPolarHBondContact O-CA 3.47Å; G479-L482 PolarHBondContact O-N 3.22Å; G479-G483 PolarHBondContact O-N 2.88Å; G479-G483 VanDerWaalsContact O-N 3.15Å; G479-I484 CarbonylContact C-O 3.56Å; G479-I484 PolarHBondContact O-N 2.69Å
480	K	92.9	Very high	93.5	Very high	156 Å²	156	42.9 Å²	42.9	68%	0.678	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-57.4	-46	-179.8	-82.2	-178.4	176.5	168.4	0	113.5	I476 L482 G483	I476-K480 HydrophobicContact CG2-CD 3.63Å; I476-K480 HydrophobicContact CG2-CG 4.06Å; I476-K480 WeakPolarHBondContact O-CB 3.32Å; I476-K480 PolarHBondContact O-N 3.26Å; K480-L482 PolarHBondContact O-N 3.42Å; K480-L482 VanDerWaalsContact O-N 3.17Å; K480-G483 PolarHBondContact O-N 3.18Å
481	P	93.7	Very high	93.3	Very high	82 Å²	82	40.9 Å²	40.9	53%	0.532	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.9	-22.3	174.8	-25.9	36	0	0	0	114.6	V392 K477	V392-P481 HydrophobicContact CG1-CB 4.44Å; V392-P481 HydrophobicContact CG1-CG 4.43Å; V392-P481 HydrophobicContact CG2-CB 3.75Å; K477-P481 VanDerWaalsContact O-CD 3.29Å; K477-P481 WeakPolarHBondContact O-CD 3.25Å
482	L	92.4	Very high	92.7	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.162	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-100	1.7	-178.1	-61.5	175.8	0	0	0	113.2	I389 V392 L437 T441 G479 K480 I484	I389-L482 HydrophobicContact CD1-CD1 3.68Å; I389-L482 HydrophobicContact CD1-CD2 4.27Å; V392-L482 HydrophobicContact CG2-CD2 3.82Å; V392-L482 HydrophobicContact CG2-CG 4.09Å; L437-L482 HydrophobicContact CB-CD1 4.12Å; L437-L482 HydrophobicContact CD1-CD1 4.25Å; L437-L482 HydrophobicContact CD2-CD1 4.1Å; L437-L482 HydrophobicContact CG-CD1 4.38Å; T441-L482 HydrophobicContact CG2-CB 4.12Å; T441-L482 HydrophobicContact CG2-CD1 4.18Å; T441-L482 HydrophobicContact CG2-CD2 4.29Å; T441-L482 HydrophobicContact CG2-CG 4.43Å; G479-L482 CarbonylContact O-C 3.58Å; G479-L482 WeakPolarHBondContact O-CA 3.47Å; G479-L482 PolarHBondContact O-N 3.22Å; K480-L482 PolarHBondContact O-N 3.42Å; K480-L482 VanDerWaalsContact O-N 3.17Å; L482-I484 VanDerWaalsContact C-N 3.31Å; L482-I484 HydrophobicContact CB-CD1 4.04Å; L482-I484 HydrophobicContact CB-CG1 4.22Å
483	G	91.4	Very high	92.2	Very high	64 Å²	64	44.8 Å²	44.8	66%	0.66	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	20.8	-176.3	0	0	0	0	0	114.5	G479 K480	G479-G483 PolarHBondContact O-N 2.88Å; G479-G483 VanDerWaalsContact O-N 3.15Å; K480-G483 PolarHBondContact O-N 3.18Å
484	I	93.3	Very high	91.7	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	25%	0.249	C	C	.	.			trans	-96.5	122.6	-176.4	-67.9	173.9	0	0	0	109.8	L437 I440 T441 G479 L482 E507 I508	L437-I484 HydrophobicContact CD2-CD1 3.52Å; I440-I484 HydrophobicContact CB-CD1 4.04Å; I440-I484 HydrophobicContact CD1-CD1 4.33Å; I440-I484 HydrophobicContact CG2-CD1 3.69Å; I440-I484 HydrophobicContact CG2-CG1 4.03Å; T441-I484 HydrophobicContact CG2-CD1 3.94Å; G479-I484 CarbonylContact C-O 3.56Å; G479-I484 PolarHBondContact O-N 2.69Å; L482-I484 VanDerWaalsContact C-N 3.31Å; L482-I484 HydrophobicContact CB-CD1 4.04Å; L482-I484 HydrophobicContact CB-CG1 4.22Å; I484-E507 HydrophobicContact CG2-CB 3.9Å; I484-E507 HydrophobicContact CG2-CG 4.47Å; I484-I508 HydrophobicContact CG2-CD1 3.78Å; I484-I508 HydrophobicContact CG2-CG1 4.04Å
485	R	92.8	Very high	91.1	Very high	110 Å²	110	47.6 Å²	47.6	42%	0.415	27%	0.27	S	S	.	.			trans	-88	133.2	-178.4	-54.4	168.7	-75	-177.1	-9.5	110.4	M504 G505 E507 I508	R485-M504 PolarHBondContact NH1-O 2.76Å; R485-G505 PolarHBondContact NE-O 3.04Å; R485-G505 PolarHBondContact NH1-O 2.93Å; R485-E507 WeakPolarHBondContact CA-OE2 3.37Å; R485-E507 WeakPolarHBondContact CB-OE2 3.43Å; R485-E507 WeakPolarHBondContact CG-OE2 3.32Å; R485-E507 IonicContact CZ-OE1 2.69Å; R485-E507 IonicContact CZ-OE2 2.6Å; R485-E507 PolarHBondContact N-OE2 2.64Å; R485-E507 IonicContact NE-OE1 3.6Å; R485-E507 PolarHBondContact NE-OE1 2.9Å; R485-E507 IonicContact NE-OE2 3.71Å; R485-E507 PolarHBondContact NE-OE2 3.44Å; R485-E507 IonicContact NH2-OE1 3.22Å; R485-E507 PolarHBondContact NH2-OE1 2.67Å; R485-E507 IonicContact NH2-OE2 2.76Å; R485-E507 PolarHBondContact O-N 2.88Å; R485-E507 VanDerWaalsContact O-N 3.1Å; R485-I508 PolarHBondContact O-N 3.39Å; R485-I508 VanDerWaalsContact O-N 3.13Å
486	T	95.2	Very high	90.4	Very high	23 Å²	23	55.1 Å²	55.1	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.5	-179.7	-54.7	0	0	0	0	109.6	T475 I508 I510	T475-T486 HydrophobicContact CG2-CG2 3.81Å; T475-T486 WeakPolarHBondContact CG2-OG1 3.34Å; T486-I508 WeakPolarHBondContact CA-O 3.42Å; T486-I508 HydrophobicContact CG2-CB 4.31Å; T486-I508 HydrophobicContact CG2-CG2 4.32Å; T486-I510 HydrophobicContact CG2-CD1 3.45Å; T486-I510 VanDerWaalsContact CG2-CD1 3.45Å; T486-I510 HydrophobicContact CG2-CG1 4.14Å
487	V	94.5	Very high	89.9	Confident	10 Å²	10	55.7 Å²	55.7	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.6	178.6	176.9	0	0	0	0	110.8	V489 R501 L502 C506 I508 V509 I510	V487-V489 HydrophobicContact CG1-CG2 4.47Å; V487-R501 HydrophobicContact CG1-CB 3.91Å; V487-R501 HydrophobicContact CG2-CB 4.21Å; V487-L502 HydrophobicContact CG1-CD2 4.03Å; V487-L502 HydrophobicContact CG1-CG 4.36Å; V487-C506 HydrophobicContact CB-CB 4.32Å; V487-C506 HydrophobicContact CG2-CB 3.71Å; V487-I508 PolarHBondContact N-O 2.68Å; V487-V509 WeakPolarHBondContact O-CA 3.11Å; V487-I510 PolarHBondContact O-N 3.17Å
488	A	94.4	Very high	89.4	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.1	174	0	0	0	0	0	113.8	E472 I490 Q498 I510	E472-A488 HydrophobicContact CG-CB 4.26Å; E472-A488 WeakPolarHBondContact OE1-CB 3.48Å; E472-A488 VanDerWaalsContact OE2-CB 3.23Å; E472-A488 WeakPolarHBondContact OE2-CB 3.32Å; A488-I490 HydrophobicContact CB-CD1 4.15Å; A488-I490 HydrophobicContact CB-CG1 4.27Å; A488-I490 HydrophobicContact CB-CG2 4.38Å; A488-Q498 PolarHBondContact O-NE2 3.39Å; A488-I510 CarbonylContact C-O 3.59Å; A488-I510 VanDerWaalsContact CA-O 3.28Å; A488-I510 WeakPolarHBondContact CA-O 3.43Å
489	V	94.7	Very high	88.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	76.3	178.3	180	0	0	0	0	108.7	V487 L502 V509 I510 A511 T512 R515 V519	V487-V489 HydrophobicContact CG1-CG2 4.47Å; V489-L502 HydrophobicContact CG2-CD1 4.36Å; V489-L502 HydrophobicContact CG2-CD2 4.07Å; V489-V509 HydrophobicContact CB-CG1 4.26Å; V489-V509 HydrophobicContact CG2-CG1 3.84Å; V489-I510 PolarHBondContact N-O 3.44Å; V489-A511 HydrophobicContact CB-CB 3.96Å; V489-A511 HydrophobicContact CG1-CB 4.49Å; V489-A511 VanDerWaalsContact O-CA 3.3Å; V489-A511 WeakPolarHBondContact O-CA 3.27Å; V489-A511 WeakPolarHBondContact O-CB 3.44Å; V489-T512 PolarHBondContact O-N 3.23Å; V489-R515 HydrophobicContact CG1-CG 3.96Å; V489-V519 HydrophobicContact CG1-CB 4.2Å; V489-V519 HydrophobicContact CG1-CG1 4.39Å; V489-V519 HydrophobicContact CG1-CG2 3.77Å
490	I	93.7	Very high	88.4	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.324	C	S	.	.			trans	-130.2	156.7	-168.9	63	179.4	0	0	0	112.9	R465 A468 Q469 A488 I493 Q498 T512	R465-I490 HydrophobicContact CG-CB 4.33Å; R465-I490 HydrophobicContact CG-CD1 3.83Å; R465-I490 HydrophobicContact CG-CG1 4.29Å; A468-I490 HydrophobicContact CB-CG2 3.57Å; Q469-I490 HydrophobicContact CG-CD1 3.45Å; Q469-I490 VanDerWaalsContact CG-CD1 3.45Å; A488-I490 HydrophobicContact CB-CD1 4.15Å; A488-I490 HydrophobicContact CB-CG1 4.27Å; A488-I490 HydrophobicContact CB-CG2 4.38Å; I490-I493 HydrophobicContact CD1-CD1 3.89Å; I490-I493 HydrophobicContact CG1-CD1 3.7Å; I490-I493 HydrophobicContact CG1-CG1 4.28Å; I490-Q498 VanDerWaalsContact N-NE2 3.11Å; I490-Q498 PolarHBondContact O-NE2 3.18Å; I490-T512 HydrophobicContact CG2-CG2 4.22Å
491	G	85.3	Confident	88.1	Confident	35 Å²	35	55.3 Å²	55.3	36%	0.361	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	143.6	178.9	0	0	0	0	0	113.8	R465	R465-G491 VanDerWaalsContact CD-O 3.29Å; R465-G491 WeakPolarHBondContact CD-O 3.38Å; R465-G491 PolarHBondContact NE-O 2.84Å; R465-G491 PolarHBondContact NH1-O 2.82Å
492	G	81.4	Confident	87.8	Confident	62 Å²	62	52.4 Å²	52.4	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	27.4	172.9	0	0	0	0	0	115.7	R465	R465-G492 VanDerWaalsContact NH1-C 3.32Å; R465-G492 PolarHBondContact NH1-O 2.6Å; R465-G492 PolarHBondContact NH2-O 3.3Å
493	I	82.9	Confident	87.4	Confident	43 Å²	43	60.4 Å²	60.4	22%	0.221	32%	0.317	C	S	.	.	S	Bend	trans	-110.5	154	155.1	-60.1	177	0	0	0	106.6	I490 R495 D497 Q498	I490-I493 HydrophobicContact CD1-CD1 3.89Å; I490-I493 HydrophobicContact CG1-CD1 3.7Å; I490-I493 HydrophobicContact CG1-CG1 4.28Å; I493-R495 PolarHBondContact O-N 3.48Å; I493-D497 HydrophobicContact CG2-CB 4.39Å; I493-Q498 HydrophobicContact CB-CG 4.31Å; I493-Q498 HydrophobicContact CG2-CG 4.04Å
494	S	83.4	Confident	87.2	Confident	63 Å²	63	63 Å²	63	44%	0.441	31%	0.313	S	S	.	.			trans	-57.6	138.9	176.3	-178.7	0	0	0	0	111.3	E496 D497 Q498	S494-E496 PolarHBondContact O-N 3.06Å; S494-E496 PolarHBondContact OG-N 2.94Å; S494-D497 PolarHBondContact O-N 3.22Å; S494-Q498 PolarHBondContact O-N 3.44Å; S494-Q498 VanDerWaalsContact O-N 3.16Å
495	R	80.2	Confident	86.8	Confident	161 Å²	161	62.9 Å²	62.9	61%	0.608	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-29.9	174.4	-67.8	-171.3	169.1	-145.5	-10.3	111.5	I493 G499 D518	I493-R495 PolarHBondContact O-N 3.48Å; R495-G499 PolarHBondContact O-N 2.89Å; R495-D518 IonicContact NH2-OD2 3.63Å; R495-D518 PolarHBondContact NH2-OD2 2.85Å; R495-D518 VanDerWaalsContact NH2-OD2 3.07Å
496	E	80.6	Confident	86.6	Confident	159 Å²	159	57.8 Å²	57.8	74%	0.743	30%	0.295	S	S	*	.	H	α-helix	trans	-71.3	-47.6	179.2	-64.1	173.8	163.2	0	0	112	S494 Q498 G499 F500	S494-E496 PolarHBondContact O-N 3.06Å; S494-E496 PolarHBondContact OG-N 2.94Å; E496-Q498 PolarHBondContact O-N 3.29Å; E496-G499 PolarHBondContact O-N 2.93Å; E496-F500 WeakPolarHBondContact O-CB 3.42Å; E496-F500 PolarHBondContact O-N 3.15Å
497	D	84	Confident	86.5	Confident	59 Å²	59	57.7 Å²	57.7	32%	0.316	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-43.5	176	176.9	41.6	0	0	0	111	I493 S494 F500 R501	I493-D497 HydrophobicContact CG2-CB 4.39Å; S494-D497 PolarHBondContact O-N 3.22Å; D497-F500 PolarHBondContact O-N 2.97Å; D497-R501 VanDerWaalsContact O-CG 3.3Å; D497-R501 WeakPolarHBondContact O-CG 3.21Å; D497-R501 PolarHBondContact O-N 3.34Å; D497-R501 IonicContact OD1-CZ 2.84Å; D497-R501 IonicContact OD1-NE 2.71Å; D497-R501 PolarHBondContact OD1-NE 3.16Å; D497-R501 IonicContact OD1-NH2 3.99Å; D497-R501 PolarHBondContact OD1-NH2 3.47Å; D497-R501 IonicContact OD2-CZ 3.54Å; D497-R501 VanDerWaalsContact OD2-CZ 3.3Å; D497-R501 IonicContact OD2-NE 2.69Å; D497-R501 PolarHBondContact OD2-NE 2.82Å; D497-R501 IonicContact OD2-NH2 2.95Å; D497-R501 PolarHBondContact OD2-NH2 2.86Å
498	Q	83.4	Confident	86.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-46.5	173.3	-74.1	-177	-17.9	0	0	112.4	A488 I490 I493 S494 E496 F500 R501 L502	A488-Q498 PolarHBondContact O-NE2 3.39Å; I490-Q498 VanDerWaalsContact N-NE2 3.11Å; I490-Q498 PolarHBondContact O-NE2 3.18Å; I493-Q498 HydrophobicContact CB-CG 4.31Å; I493-Q498 HydrophobicContact CG2-CG 4.04Å; S494-Q498 PolarHBondContact O-N 3.44Å; S494-Q498 VanDerWaalsContact O-N 3.16Å; E496-Q498 PolarHBondContact O-N 3.29Å; Q498-F500 VanDerWaalsContact C-N 3.3Å; Q498-F500 PolarHBondContact O-N 2.88Å; Q498-R501 PolarHBondContact O-N 3.13Å; Q498-L502 WeakPolarHBondContact O-CB 3.46Å; Q498-L502 VanDerWaalsContact O-CG 3.3Å; Q498-L502 WeakPolarHBondContact O-CG 3.18Å; Q498-L502 PolarHBondContact O-N 3.48Å
499	G	81.1	Confident	86.7	Confident	17 Å²	17	57.1 Å²	57.1	18%	0.175	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-36.1	178.2	0	0	0	0	0	112.8	R495 E496 R503	R495-G499 PolarHBondContact O-N 2.89Å; E496-G499 PolarHBondContact O-N 2.93Å; G499-R503 VanDerWaalsContact O-CG 3.27Å; G499-R503 WeakPolarHBondContact O-CG 3.33Å; G499-R503 PolarHBondContact O-N 3.35Å
500	F	85.4	Confident	86.9	Confident	131 Å²	131	57.1 Å²	57.1	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-67.9	-48.5	174.3	-179.1	-103.3	0	0	0	111.6	E496 D497 Q498 L502 R503 M504	E496-F500 WeakPolarHBondContact O-CB 3.42Å; E496-F500 PolarHBondContact O-N 3.15Å; D497-F500 PolarHBondContact O-N 2.97Å; Q498-F500 VanDerWaalsContact C-N 3.3Å; Q498-F500 PolarHBondContact O-N 2.88Å; F500-L502 VanDerWaalsContact C-N 3.32Å; F500-L502 PolarHBondContact O-N 3.41Å; F500-R503 WeakPolarHBondContact O-CB 3.39Å; F500-R503 PolarHBondContact O-N 3.03Å; F500-R503 VanDerWaalsContact O-N 3.15Å; F500-M504 HydrophobicContact CE1-CG 4.39Å; F500-M504 HydrophobicContact CZ-SD 4.2Å; F500-M504 PolarHBondContact O-N 3.34Å
501	R	87.1	Confident	87	Confident	99 Å²	99	57.1 Å²	57.1	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-38.9	177.4	-69.5	178	-162.9	-156.2	10.6	112.9	V487 D497 Q498 R503 M504	V487-R501 HydrophobicContact CG1-CB 3.91Å; V487-R501 HydrophobicContact CG2-CB 4.21Å; D497-R501 VanDerWaalsContact O-CG 3.3Å; D497-R501 WeakPolarHBondContact O-CG 3.21Å; D497-R501 PolarHBondContact O-N 3.34Å; D497-R501 IonicContact OD1-CZ 2.84Å; D497-R501 IonicContact OD1-NE 2.71Å; D497-R501 PolarHBondContact OD1-NE 3.16Å; D497-R501 IonicContact OD1-NH2 3.99Å; D497-R501 PolarHBondContact OD1-NH2 3.47Å; D497-R501 IonicContact OD2-CZ 3.54Å; D497-R501 VanDerWaalsContact OD2-CZ 3.3Å; D497-R501 IonicContact OD2-NE 2.69Å; D497-R501 PolarHBondContact OD2-NE 2.82Å; D497-R501 IonicContact OD2-NH2 2.95Å; D497-R501 PolarHBondContact OD2-NH2 2.86Å; Q498-R501 PolarHBondContact O-N 3.13Å; R501-R503 VanDerWaalsContact C-N 3.32Å; R501-R503 PolarHBondContact O-N 3.37Å; R501-M504 PolarHBondContact O-N 3.46Å
502	L	85.8	Confident	87.5	Confident	20 Å²	20	56.2 Å²	56.2	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-35.3	176.3	-74.7	174.3	0	0	0	112.5	V487 V489 Q498 F500 M504 G505 V519 L525	V487-L502 HydrophobicContact CG1-CD2 4.03Å; V487-L502 HydrophobicContact CG1-CG 4.36Å; V489-L502 HydrophobicContact CG2-CD1 4.36Å; V489-L502 HydrophobicContact CG2-CD2 4.07Å; Q498-L502 WeakPolarHBondContact O-CB 3.46Å; Q498-L502 VanDerWaalsContact O-CG 3.3Å; Q498-L502 WeakPolarHBondContact O-CG 3.18Å; Q498-L502 PolarHBondContact O-N 3.48Å; F500-L502 VanDerWaalsContact C-N 3.32Å; F500-L502 PolarHBondContact O-N 3.41Å; L502-M504 VanDerWaalsContact C-N 3.25Å; L502-M504 PolarHBondContact O-N 3.46Å; L502-G505 PolarHBondContact O-N 2.9Å; L502-V519 HydrophobicContact CD1-CG1 3.77Å; L502-L525 HydrophobicContact CD2-CD1 4Å; L502-L525 HydrophobicContact CD2-CD2 4.43Å
503	R	85.6	Confident	88.2	Confident	200 Å²	200	53.3 Å²	53.3	76%	0.755	25%	0.247	S	C	*	.	H	α-helix	trans	-70.1	-15	175.6	-71.4	168.8	-173	-128.5	4.1	114.5	G499 F500 R501 G505	G499-R503 VanDerWaalsContact O-CG 3.27Å; G499-R503 WeakPolarHBondContact O-CG 3.33Å; G499-R503 PolarHBondContact O-N 3.35Å; F500-R503 WeakPolarHBondContact O-CB 3.39Å; F500-R503 PolarHBondContact O-N 3.03Å; F500-R503 VanDerWaalsContact O-N 3.15Å; R501-R503 VanDerWaalsContact C-N 3.32Å; R501-R503 PolarHBondContact O-N 3.37Å; R503-G505 VanDerWaalsContact C-N 3.25Å
504	M	85.7	Confident	88.7	Confident	118 Å²	118	52.7 Å²	52.7	58%	0.581	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	0.7	178.1	-64.8	-65.1	-65	0	0	113.2	R485 F500 R501 L502	R485-M504 PolarHBondContact NH1-O 2.76Å; F500-M504 HydrophobicContact CE1-CG 4.39Å; F500-M504 HydrophobicContact CZ-SD 4.2Å; F500-M504 PolarHBondContact O-N 3.34Å; R501-M504 PolarHBondContact O-N 3.46Å; L502-M504 VanDerWaalsContact C-N 3.25Å; L502-M504 PolarHBondContact O-N 3.46Å
505	G	85.1	Confident	89.1	Confident	6 Å²	6	51.1 Å²	51.1	6%	0.062	24%	0.235	C	C	.	.			trans	71.2	145.7	-173.3	0	0	0	0	0	112.8	D453 R485 L502 R503	D453-G505 WeakPolarHBondContact OD1-CA 3.4Å; R485-G505 PolarHBondContact NE-O 3.04Å; R485-G505 PolarHBondContact NH1-O 2.93Å; L502-G505 PolarHBondContact O-N 2.9Å; R503-G505 VanDerWaalsContact C-N 3.25Å
506	C	89.8	Confident	89.8	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	21%	0.207	C	C	.	.			trans	-148.5	153.2	177	57.9	0	0	0	0	112.4	P456 V487 V509	P456-C506 WeakPolarHBondContact CA-O 3.47Å; V487-C506 HydrophobicContact CB-CB 4.32Å; V487-C506 HydrophobicContact CG2-CB 3.71Å; C506-V509 VanDerWaalsContact SG-CG2 3.54Å
507	E	93.1	Very high	90.5	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.103	18%	0.175	C	C	.	.	S	Bend	trans	-92.2	-34	173.9	-73.1	69.3	-136.1	0	0	111.5	I440 P456 Y457 A458 I484 R485	I440-E507 HydrophobicContact CD1-CB 4.39Å; P456-E507 WeakPolarHBondContact CB-O 3.33Å; Y457-E507 HydrophobicContact CD2-CB 4.14Å; Y457-E507 HydrophobicContact CD2-CG 3.98Å; Y457-E507 HydrophobicContact CE2-CG 4.19Å; Y457-E507 PolarHBondContact N-O 3.18Å; A458-E507 PolarHBondContact N-O 2.9Å; I484-E507 HydrophobicContact CG2-CB 3.9Å; I484-E507 HydrophobicContact CG2-CG 4.47Å; R485-E507 WeakPolarHBondContact CA-OE2 3.37Å; R485-E507 WeakPolarHBondContact CB-OE2 3.43Å; R485-E507 WeakPolarHBondContact CG-OE2 3.32Å; R485-E507 IonicContact CZ-OE1 2.69Å; R485-E507 IonicContact CZ-OE2 2.6Å; R485-E507 PolarHBondContact N-OE2 2.64Å; R485-E507 IonicContact NE-OE1 3.6Å; R485-E507 PolarHBondContact NE-OE1 2.9Å; R485-E507 IonicContact NE-OE2 3.71Å; R485-E507 PolarHBondContact NE-OE2 3.44Å; R485-E507 IonicContact NH2-OE1 3.22Å; R485-E507 PolarHBondContact NH2-OE1 2.67Å; R485-E507 IonicContact NH2-OE2 2.76Å; R485-E507 PolarHBondContact O-N 2.88Å; R485-E507 VanDerWaalsContact O-N 3.1Å
508	I	96.6	Very high	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.1	-177.1	-53.1	180	0	0	0	110.1	L436 A458 I460 T475 I484 R485 T486 V487 I510	L436-I508 HydrophobicContact CD2-CD1 3.83Å; L436-I508 HydrophobicContact CD2-CG1 4.2Å; A458-I508 HydrophobicContact CB-CG1 4.36Å; A458-I508 HydrophobicContact CB-CG2 4.38Å; I460-I508 HydrophobicContact CD1-CG2 3.72Å; T475-I508 HydrophobicContact CG2-CD1 3.8Å; T475-I508 HydrophobicContact CG2-CG2 4.27Å; I484-I508 HydrophobicContact CG2-CD1 3.78Å; I484-I508 HydrophobicContact CG2-CG1 4.04Å; R485-I508 PolarHBondContact O-N 3.39Å; R485-I508 VanDerWaalsContact O-N 3.13Å; T486-I508 WeakPolarHBondContact CA-O 3.42Å; T486-I508 HydrophobicContact CG2-CB 4.31Å; T486-I508 HydrophobicContact CG2-CG2 4.32Å; V487-I508 PolarHBondContact N-O 2.68Å; I508-I510 HydrophobicContact CG2-CG1 4.28Å
509	V	96.7	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.3	168.8	167.3	0	0	0	0	109.8	P456 A458 V459 I460 V487 V489 C506 A511 L516 L525	P456-V509 HydrophobicContact CB-CB 4.31Å; P456-V509 HydrophobicContact CB-CG2 3.92Å; P456-V509 HydrophobicContact CG-CB 4.12Å; P456-V509 HydrophobicContact CG-CG2 3.82Å; A458-V509 PolarHBondContact O-N 3.06Å; V459-V509 WeakPolarHBondContact CA-O 3.49Å; I460-V509 PolarHBondContact N-O 2.8Å; V487-V509 WeakPolarHBondContact O-CA 3.11Å; V489-V509 HydrophobicContact CB-CG1 4.26Å; V489-V509 HydrophobicContact CG2-CG1 3.84Å; C506-V509 VanDerWaalsContact SG-CG2 3.54Å; V509-A511 HydrophobicContact CG1-CB 4.26Å; V509-L516 HydrophobicContact CG1-CD1 4.38Å; V509-L525 HydrophobicContact CB-CD2 4.5Å; V509-L525 HydrophobicContact CG1-CD2 4.18Å; V509-L525 HydrophobicContact CG2-CD2 3.97Å
510	I	97.2	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.7	174.2	-58.8	160.9	0	0	0	107.6	I460 A468 I471 E472 T475 T486 V487 A488 V489 I508	I460-I510 HydrophobicContact CB-CG1 4.19Å; I460-I510 HydrophobicContact CD1-CG1 3.92Å; I460-I510 CarbonylContact O-C 3.58Å; I460-I510 WeakPolarHBondContact O-CA 3.36Å; A468-I510 HydrophobicContact CB-CG2 4.04Å; A468-I510 WeakPolarHBondContact O-CG2 3.44Å; I471-I510 HydrophobicContact CB-CG2 4.23Å; I471-I510 HydrophobicContact CG2-CD1 3.87Å; I471-I510 HydrophobicContact CG2-CG1 4.15Å; I471-I510 HydrophobicContact CG2-CG2 4.06Å; E472-I510 VanDerWaalsContact CA-CD1 3.44Å; E472-I510 HydrophobicContact CB-CD1 3.98Å; T475-I510 HydrophobicContact CG2-CD1 4.3Å; T486-I510 HydrophobicContact CG2-CD1 3.45Å; T486-I510 VanDerWaalsContact CG2-CD1 3.45Å; T486-I510 HydrophobicContact CG2-CG1 4.14Å; V487-I510 PolarHBondContact O-N 3.17Å; A488-I510 CarbonylContact C-O 3.59Å; A488-I510 VanDerWaalsContact CA-O 3.28Å; A488-I510 WeakPolarHBondContact CA-O 3.43Å; V489-I510 PolarHBondContact N-O 3.44Å; I508-I510 HydrophobicContact CG2-CG1 4.28Å
511	A	96.3	Very high	92.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.3	-168	0	0	0	0	0	114.6	I460 L461 A462 V489 V509 L516	I460-A511 PolarHBondContact O-N 2.84Å; L461-A511 WeakPolarHBondContact CA-O 3.49Å; L461-A511 HydrophobicContact CD2-CB 4.26Å; A462-A511 PolarHBondContact N-O 3.13Å; V489-A511 HydrophobicContact CB-CB 3.96Å; V489-A511 HydrophobicContact CG1-CB 4.49Å; V489-A511 VanDerWaalsContact O-CA 3.3Å; V489-A511 WeakPolarHBondContact O-CA 3.27Å; V489-A511 WeakPolarHBondContact O-CB 3.44Å; V509-A511 HydrophobicContact CG1-CB 4.26Å; A511-L516 HydrophobicContact CB-CB 3.85Å; A511-L516 HydrophobicContact CB-CD1 4.14Å; A511-L516 HydrophobicContact CB-CD2 4.28Å; A511-L516 HydrophobicContact CB-CG 4.3Å
512	T	95.9	Very high	92.2	Very high	17 Å²	17	33 Å²	33	10%	0.104	16%	0.163	C	C	.	.			trans	-96.2	137.4	164.9	50.1	0	0	0	0	109.7	A462 A468 V489 I490 G514 R515 L516	A462-T512 WeakPolarHBondContact O-CA 3.28Å; A468-T512 HydrophobicContact CB-CG2 4.46Å; V489-T512 PolarHBondContact O-N 3.23Å; I490-T512 HydrophobicContact CG2-CG2 4.22Å; T512-G514 PolarHBondContact O-N 3.24Å; T512-R515 PolarHBondContact O-N 3.16Å; T512-R515 WeakPolarHBondContact OG1-CB 3.46Å; T512-L516 PolarHBondContact O-N 3.04Å
513	P	95.6	Very high	92.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-46.5	-58.5	-171.3	-30.6	33.6	0	0	0	114.5	L461 A462 R515 L516 I517 M541 F546 D549 V550 I553	L461-P513 HydrophobicContact CD2-CG 4.24Å; A462-P513 WeakPolarHBondContact O-CD 3.11Å; P513-R515 PolarHBondContact O-N 3.19Å; P513-L516 PolarHBondContact O-N 2.79Å; P513-I517 WeakPolarHBondContact O-CG2 3.43Å; P513-I517 PolarHBondContact O-N 2.78Å; P513-M541 HydrophobicContact CG-SD 4.19Å; P513-F546 HydrophobicContact CB-CB 4.19Å; P513-F546 HydrophobicContact CB-CD1 4.36Å; P513-F546 HydrophobicContact CB-CG 4.17Å; P513-F546 HydrophobicContact CG-CB 4.24Å; P513-F546 HydrophobicContact CG-CD2 4.2Å; P513-F546 HydrophobicContact CG-CG 4.22Å; P513-D549 HydrophobicContact CB-CB 4.1Å; P513-V550 HydrophobicContact CB-CG2 4.03Å; P513-V550 HydrophobicContact CG-CG2 3.86Å; P513-I553 HydrophobicContact CB-CD1 4.08Å
514	G	93.5	Very high	92.5	Very high	30 Å²	30	39.4 Å²	39.4	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-17.8	180	0	0	0	0	0	115.5	T512 I517	T512-G514 PolarHBondContact O-N 3.24Å; G514-I517 WeakPolarHBondContact O-CG2 3.42Å
515	R	92.9	Very high	92.7	Very high	30 Å²	30	34.4 Å²	34.4	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-93.5	-28.5	173.5	-171.2	62.3	-174.1	126.9	13.7	112.7	V489 T512 P513 D518 V519	V489-R515 HydrophobicContact CG1-CG 3.96Å; T512-R515 PolarHBondContact O-N 3.16Å; T512-R515 WeakPolarHBondContact OG1-CB 3.46Å; P513-R515 PolarHBondContact O-N 3.19Å; R515-D518 IonicContact NH1-OD2 4Å; R515-D518 PolarHBondContact NH1-OD2 2.98Å; R515-D518 WeakPolarHBondContact O-CB 3.34Å; R515-V519 VanDerWaalsContact O-CG2 3.32Å; R515-V519 WeakPolarHBondContact O-CG2 3.48Å
516	L	94.9	Very high	93.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.2	-44.2	175.2	-173.4	60.7	0	0	0	111	V459 L461 V509 A511 T512 P513 D518 V519 L520 L525 I553	V459-L516 HydrophobicContact CG1-CD2 3.7Å; L461-L516 HydrophobicContact CD2-CB 4.38Å; L461-L516 HydrophobicContact CD2-CD2 3.8Å; L461-L516 HydrophobicContact CG-CD2 4.41Å; V509-L516 HydrophobicContact CG1-CD1 4.38Å; A511-L516 HydrophobicContact CB-CB 3.85Å; A511-L516 HydrophobicContact CB-CD1 4.14Å; A511-L516 HydrophobicContact CB-CD2 4.28Å; A511-L516 HydrophobicContact CB-CG 4.3Å; T512-L516 PolarHBondContact O-N 3.04Å; P513-L516 PolarHBondContact O-N 2.79Å; L516-D518 PolarHBondContact O-N 2.98Å; L516-V519 PolarHBondContact O-N 2.98Å; L516-L520 HydrophobicContact CD1-CD1 4.42Å; L516-L520 HydrophobicContact CD1-CG 4.33Å; L516-L520 HydrophobicContact CD2-CD1 4.33Å; L516-L520 HydrophobicContact CG-CD1 3.86Å; L516-L520 HydrophobicContact CG-CG 4.22Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.36Å; L516-L525 HydrophobicContact CD1-CD2 4.02Å; L516-I553 HydrophobicContact CB-CD1 4.2Å; L516-I553 HydrophobicContact CD2-CD1 4.24Å; L516-I553 HydrophobicContact CD2-CG1 4.45Å; L516-I553 HydrophobicContact CD2-CG2 3.88Å
517	I	94.6	Very high	93.2	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.072	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-47.1	179.7	-167.6	171.1	0	0	0	111.8	P513 G514 V519 L520 E521 K552 I553	P513-I517 WeakPolarHBondContact O-CG2 3.43Å; P513-I517 PolarHBondContact O-N 2.78Å; G514-I517 WeakPolarHBondContact O-CG2 3.42Å; I517-V519 PolarHBondContact O-N 2.85Å; I517-V519 VanDerWaalsContact O-N 3.14Å; I517-L520 PolarHBondContact O-N 3.32Å; I517-L520 VanDerWaalsContact O-N 3.15Å; I517-E521 HydrophobicContact CG1-CG 4.28Å; I517-E521 WeakPolarHBondContact O-CB 3.33Å; I517-E521 WeakPolarHBondContact O-CG 3.28Å; I517-E521 PolarHBondContact O-N 3.47Å; I517-K552 HydrophobicContact CD1-CB 3.95Å; I517-K552 HydrophobicContact CD1-CD 3.74Å; I517-K552 HydrophobicContact CD1-CG 3.79Å; I517-I553 HydrophobicContact CB-CG1 4.25Å
518	D	91.4	Very high	93	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-44.1	-45.3	168.6	-100.5	15.6	0	0	0	112.6	R495 R515 L516 N522	R495-D518 IonicContact NH2-OD2 3.63Å; R495-D518 PolarHBondContact NH2-OD2 2.85Å; R495-D518 VanDerWaalsContact NH2-OD2 3.07Å; R515-D518 IonicContact NH1-OD2 4Å; R515-D518 PolarHBondContact NH1-OD2 2.98Å; R515-D518 WeakPolarHBondContact O-CB 3.34Å; L516-D518 PolarHBondContact O-N 2.98Å; D518-N522 WeakPolarHBondContact O-CB 3.28Å; D518-N522 PolarHBondContact O-N 2.88Å; D518-N522 PolarHBondContact O-ND2 2.66Å
519	V	91.4	Very high	92.7	Very high	2 Å²	2	40 Å²	40	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-80.9	-32.3	-172.1	168.1	0	0	0	0	111.3	V489 L502 R515 L516 I517 R523 Y524 L525	V489-V519 HydrophobicContact CG1-CB 4.2Å; V489-V519 HydrophobicContact CG1-CG1 4.39Å; V489-V519 HydrophobicContact CG1-CG2 3.77Å; L502-V519 HydrophobicContact CD1-CG1 3.77Å; R515-V519 VanDerWaalsContact O-CG2 3.32Å; R515-V519 WeakPolarHBondContact O-CG2 3.48Å; L516-V519 PolarHBondContact O-N 2.98Å; I517-V519 PolarHBondContact O-N 2.85Å; I517-V519 VanDerWaalsContact O-N 3.14Å; V519-R523 PolarHBondContact O-N 3.47Å; V519-Y524 PolarHBondContact O-N 3.42Å; V519-L525 HydrophobicContact CG1-CB 3.53Å; V519-L525 PolarHBondContact O-N 3.07Å
520	L	92.1	Very high	92.6	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-74	-45.2	174.2	-65.9	171.8	0	0	0	112	L516 I517 N522 R523 L525 L527 I553 Y556	L516-L520 HydrophobicContact CD1-CD1 4.42Å; L516-L520 HydrophobicContact CD1-CG 4.33Å; L516-L520 HydrophobicContact CD2-CD1 4.33Å; L516-L520 HydrophobicContact CG-CD1 3.86Å; L516-L520 HydrophobicContact CG-CG 4.22Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.36Å; I517-L520 PolarHBondContact O-N 3.32Å; I517-L520 VanDerWaalsContact O-N 3.15Å; L520-N522 VanDerWaalsContact C-N 3.34Å; L520-N522 PolarHBondContact O-N 3.36Å; L520-R523 PolarHBondContact O-N 2.84Å; L520-L525 HydrophobicContact CD2-CB 4.42Å; L520-L527 HydrophobicContact CD1-CD1 4.19Å; L520-L527 HydrophobicContact CD2-CD1 4.1Å; L520-L527 HydrophobicContact CD2-CD2 4.31Å; L520-L527 HydrophobicContact CD2-CG 3.81Å; L520-I553 HydrophobicContact CD1-CG1 4.36Å; L520-I553 HydrophobicContact CD1-CG2 4.31Å; L520-Y556 HydrophobicContact CB-CD1 4.12Å; L520-Y556 HydrophobicContact CB-CD2 4.09Å; L520-Y556 HydrophobicContact CB-CE1 4.21Å; L520-Y556 HydrophobicContact CB-CE2 4.19Å; L520-Y556 HydrophobicContact CB-CG 4.06Å; L520-Y556 HydrophobicContact CD1-CD2 3.91Å; L520-Y556 HydrophobicContact CD1-CG 4Å; L520-Y556 HydrophobicContact CG-CG 4.47Å
521	E	93.1	Very high	92.5	Very high	87 Å²	87	40.4 Å²	40.4	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-59	-44.8	177.8	-76.5	-175	165.2	0	0	112	I517 R523 K552 Y556	I517-E521 HydrophobicContact CG1-CG 4.28Å; I517-E521 WeakPolarHBondContact O-CB 3.33Å; I517-E521 WeakPolarHBondContact O-CG 3.28Å; I517-E521 PolarHBondContact O-N 3.47Å; E521-R523 PolarHBondContact O-N 2.87Å; E521-K552 WeakPolarHBondContact OE1-CE 3.48Å; E521-K552 IonicContact OE1-NZ 3.65Å; E521-K552 PolarHBondContact OE1-NZ 3.29Å; E521-Y556 WeakPolarHBondContact CG-OH 3.29Å
522	N	89.3	Confident	92.6	Very high	94 Å²	94	40.5 Å²	40.5	50%	0.503	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	4.5	177.1	-69.1	-78.7	0	0	0	113.6	D518 L520 Y524	D518-N522 WeakPolarHBondContact O-CB 3.28Å; D518-N522 PolarHBondContact O-N 2.88Å; D518-N522 PolarHBondContact O-ND2 2.66Å; L520-N522 VanDerWaalsContact C-N 3.34Å; L520-N522 PolarHBondContact O-N 3.36Å; N522-Y524 HydrophobicContact CB-CD2 3.48Å; N522-Y524 VanDerWaalsContact CB-CD2 3.48Å; N522-Y524 HydrophobicContact CB-CE2 3.4Å; N522-Y524 VanDerWaalsContact CB-CE2 3.4Å; N522-Y524 HydrophobicContact CB-CG 4.48Å; N522-Y524 PolarHBondContact O-N 3.45Å; N522-Y524 VanDerWaalsContact O-N 3.14Å
523	R	88.9	Confident	92.7	Very high	212 Å²	212	39.8 Å²	39.8	80%	0.8	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	29.1	-178.8	-59.4	-176.2	176	-122.5	0.9	115.1	V519 L520 E521 L525	V519-R523 PolarHBondContact O-N 3.47Å; L520-R523 PolarHBondContact O-N 2.84Å; E521-R523 PolarHBondContact O-N 2.87Å; R523-L525 PolarHBondContact O-N 3.09Å
524	Y	87.8	Confident	92.8	Very high	141 Å²	141	39.8 Å²	39.8	55%	0.553	20%	0.201	S	C	*	.	S	Bend	trans	-70.9	-19.4	168.7	-69.4	-62.4	0	0	0	112.2	V519 N522	V519-Y524 PolarHBondContact O-N 3.42Å; N522-Y524 HydrophobicContact CB-CD2 3.48Å; N522-Y524 VanDerWaalsContact CB-CD2 3.48Å; N522-Y524 HydrophobicContact CB-CE2 3.4Å; N522-Y524 VanDerWaalsContact CB-CE2 3.4Å; N522-Y524 HydrophobicContact CB-CG 4.48Å; N522-Y524 PolarHBondContact O-N 3.45Å; N522-Y524 VanDerWaalsContact O-N 3.14Å
525	L	91.3	Very high	92.9	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.068	19%	0.186	C	C	.	.			trans	-139.5	150.5	172.6	-171.7	60.6	0	0	0	109.1	L502 V509 L516 V519 L520 R523 L527	L502-L525 HydrophobicContact CD2-CD1 4Å; L502-L525 HydrophobicContact CD2-CD2 4.43Å; V509-L525 HydrophobicContact CB-CD2 4.5Å; V509-L525 HydrophobicContact CG1-CD2 4.18Å; V509-L525 HydrophobicContact CG2-CD2 3.97Å; L516-L525 HydrophobicContact CD1-CD2 4.02Å; V519-L525 HydrophobicContact CG1-CB 3.53Å; V519-L525 PolarHBondContact O-N 3.07Å; L520-L525 HydrophobicContact CD2-CB 4.42Å; R523-L525 PolarHBondContact O-N 3.09Å; L525-L527 HydrophobicContact CD2-CD2 4.36Å
526	V	92.3	Very high	93	Very high	68 Å²	68	37 Å²	37	41%	0.412	18%	0.181	S	C	.	.			trans	-127.6	155.3	168.8	-65.5	0	0	0	0	109.4	G455 P456	G455-V526 WeakPolarHBondContact CA-O 3.22Å; P456-V526 WeakPolarHBondContact CD-O 3.4Å
527	L	93	Very high	92.8	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	19%	0.186	C	C	.	.			trans	-109.7	30.1	-178	-59	-176.5	0	0	0	112.5	P456 V459 L520 L525 R529 C530 I557 P558	P456-L527 HydrophobicContact CG-CD2 3.96Å; V459-L527 HydrophobicContact CG2-CD1 4.37Å; V459-L527 HydrophobicContact CG2-CD2 3.51Å; L520-L527 HydrophobicContact CD1-CD1 4.19Å; L520-L527 HydrophobicContact CD2-CD1 4.1Å; L520-L527 HydrophobicContact CD2-CD2 4.31Å; L520-L527 HydrophobicContact CD2-CG 3.81Å; L525-L527 HydrophobicContact CD2-CD2 4.36Å; L527-R529 VanDerWaalsContact C-N 3.31Å; L527-R529 PolarHBondContact O-N 3.11Å; L527-C530 HydrophobicContact CB-CB 3.9Å; L527-C530 WeakPolarHBondContact O-CB 3.4Å; L527-C530 PolarHBondContact O-N 2.67Å; L527-C530 VanDerWaalsContact O-N 3.08Å; L527-I557 HydrophobicContact CD1-CG1 3.76Å; L527-P558 VanDerWaalsContact O-CD 3.29Å; L527-P558 WeakPolarHBondContact O-CD 3.37Å
528	G	88.3	Confident	92.6	Very high	47 Å²	47	37.4 Å²	37.4	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.7	-169.6	0	0	0	0	0	114.4	Q454	Q454-G528 PolarHBondContact O-N 3.19Å
529	R	90.6	Very high	92.3	Very high	29 Å²	29	35.8 Å²	35.8	11%	0.109	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	17.7	176.8	68.5	178.6	179.4	-172.9	4.4	114.7	E450 Q454 G455 P456 Y457 L527 T531	E450-R529 WeakPolarHBondContact OE2-CD 3.42Å; E450-R529 IonicContact OE2-CZ 3.07Å; E450-R529 IonicContact OE2-NE 3.29Å; E450-R529 IonicContact OE2-NH1 2.72Å; E450-R529 PolarHBondContact OE2-NH1 2.96Å; Q454-R529 HydrophobicContact CB-CB 4.38Å; Q454-R529 HydrophobicContact CB-CG 3.98Å; G455-R529 VanDerWaalsContact O-CZ 3.23Å; G455-R529 PolarHBondContact O-NE 2.84Å; G455-R529 PolarHBondContact O-NH2 2.91Å; P456-R529 CarbonylContact O-C 3.49Å; Y457-R529 HydrophobicContact CD1-CG 4.15Å; Y457-R529 HydrophobicContact CE1-CG 4.26Å; L527-R529 VanDerWaalsContact C-N 3.31Å; L527-R529 PolarHBondContact O-N 3.11Å; R529-T531 PolarHBondContact O-N 3.04Å
530	C	94.8	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.			trans	-70.4	111.6	-178.8	-173.5	0	0	0	0	111.1	P456 L527 N561	P456-C530 WeakPolarHBondContact O-CA 3.31Å; P456-C530 PolarHBondContact O-N 2.84Å; L527-C530 HydrophobicContact CB-CB 3.9Å; L527-C530 WeakPolarHBondContact O-CB 3.4Å; L527-C530 PolarHBondContact O-N 2.67Å; L527-C530 VanDerWaalsContact O-N 3.08Å; C530-N561 PolarHBondContact O-ND2 3.05Å
531	T	94.8	Very high	92	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.043	18%	0.179	C	C	.	.			trans	-119.1	5.9	-179	-168.1	0	0	0	0	112.9	W439 Y457 R529 K585 Y586 R587 Q588	W439-T531 HydrophobicContact CE3-CG2 4.2Å; W439-T531 HydrophobicContact CH2-CG2 3.37Å; W439-T531 HydrophobicContact CZ2-CG2 3.82Å; W439-T531 HydrophobicContact CZ3-CG2 3.58Å; Y457-T531 PolarHBondContact O-N 3.38Å; R529-T531 PolarHBondContact O-N 3.04Å; T531-K585 PolarHBondContact O-NZ 2.72Å; T531-K585 PolarHBondContact OG1-NZ 3.03Å; T531-Y586 PolarHBondContact OG1-O 3.04Å; T531-R587 CarbonylContact O-C 3.51Å; T531-R587 VanDerWaalsContact O-CA 3.27Å; T531-R587 WeakPolarHBondContact O-CA 3.37Å; T531-Q588 PolarHBondContact O-N 3.23Å
532	Y	97.7	Very high	91.8	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	121.6	179.1	-153.7	-91.4	0	0	0	110.5	F432 L436 Y457 A458 V459 V534 Q588 V590	F432-Y532 HydrophobicContact CB-CE1 4.31Å; F432-Y532 PolarHBondContact O-OH 2.95Å; L436-Y532 HydrophobicContact CB-CD1 4.33Å; L436-Y532 HydrophobicContact CB-CD2 4.39Å; L436-Y532 HydrophobicContact CB-CE1 4.25Å; L436-Y532 HydrophobicContact CB-CE2 4.31Å; L436-Y532 HydrophobicContact CB-CG 4.4Å; L436-Y532 HydrophobicContact CD1-CD1 4.36Å; L436-Y532 HydrophobicContact CD1-CD2 4.25Å; L436-Y532 HydrophobicContact CD1-CG 3.92Å; L436-Y532 HydrophobicContact CD2-CD1 4.17Å; Y457-Y532 PolarHBondContact O-N 3.17Å; Y457-Y532 VanDerWaalsContact O-N 3.15Å; A458-Y532 VanDerWaalsContact CA-O 3.27Å; A458-Y532 WeakPolarHBondContact CA-O 3.29Å; A458-Y532 HydrophobicContact CB-CD1 4.41Å; V459-Y532 PolarHBondContact N-O 3.12Å; Y532-V534 HydrophobicContact CD1-CG2 3.72Å; Y532-V534 HydrophobicContact CE1-CG2 3.47Å; Y532-V534 VanDerWaalsContact CE1-CG2 3.47Å; Y532-Q588 WeakPolarHBondContact CA-O 3.46Å; Y532-Q588 HydrophobicContact CD2-CB 4.06Å; Y532-Q588 HydrophobicContact CD2-CG 4.49Å; Y532-Q588 HydrophobicContact CE2-CB 4.22Å; Y532-Q588 HydrophobicContact CE2-CG 4.15Å; Y532-Q588 VanDerWaalsContact CE2-OE1 3.22Å; Y532-V590 HydrophobicContact CE1-CG2 4.41Å
533	V	97.4	Very high	91.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.4	-174	-177.3	0	0	0	0	108.4	I557 Q588 T589 V590 Y607	V533-I557 HydrophobicContact CG1-CD1 4.29Å; V533-I557 HydrophobicContact CG2-CD1 3.85Å; V533-Q588 PolarHBondContact N-O 3.11Å; V533-T589 HydrophobicContact CB-CG2 4.2Å; V533-T589 HydrophobicContact CG1-CG2 4.26Å; V533-T589 CarbonylContact O-C 3.55Å; V533-T589 WeakPolarHBondContact O-CA 3.44Å; V533-V590 PolarHBondContact O-N 2.89Å; V533-Y607 HydrophobicContact CG1-CD1 4.06Å; V533-Y607 HydrophobicContact CG1-CE1 3.81Å
534	V	97.8	Very high	91.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131	177.7	-173.4	0	0	0	0	110.2	F432 V459 I460 L461 Y532 V590 F592	F432-V534 HydrophobicContact CB-CG2 4.38Å; F432-V534 HydrophobicContact CD1-CG1 4.01Å; F432-V534 HydrophobicContact CD2-CG1 4.25Å; F432-V534 HydrophobicContact CD2-CG2 3.86Å; F432-V534 HydrophobicContact CE1-CG1 3.95Å; F432-V534 HydrophobicContact CE2-CG1 4.27Å; F432-V534 HydrophobicContact CE2-CG2 4.31Å; F432-V534 HydrophobicContact CG-CG1 4.12Å; F432-V534 HydrophobicContact CG-CG2 4.16Å; F432-V534 HydrophobicContact CZ-CG1 4.1Å; V459-V534 PolarHBondContact O-N 2.99Å; I460-V534 HydrophobicContact CB-CB 4.25Å; I460-V534 HydrophobicContact CG1-CB 4.01Å; I460-V534 HydrophobicContact CG1-CG2 4.01Å; I460-V534 HydrophobicContact CG2-CB 4.05Å; I460-V534 HydrophobicContact CG2-CG1 4.19Å; L461-V534 PolarHBondContact N-O 3.18Å; Y532-V534 HydrophobicContact CD1-CG2 3.72Å; Y532-V534 HydrophobicContact CE1-CG2 3.47Å; Y532-V534 VanDerWaalsContact CE1-CG2 3.47Å; V534-V590 CarbonylContact C-O 3.52Å; V534-V590 VanDerWaalsContact CA-O 3.28Å; V534-V590 WeakPolarHBondContact CA-O 2.99Å; V534-V590 HydrophobicContact CG2-CB 4.43Å; V534-F592 HydrophobicContact CG1-CD2 4.43Å
535	L	96.8	Very high	91.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	99.7	169.7	-57.4	177.9	0	0	0	107.7	L461 A538 V550 V590 M591 F592 Y607	L461-L535 HydrophobicContact CB-CD2 4Å; L461-L535 HydrophobicContact CD1-CD2 3.6Å; L461-L535 HydrophobicContact CG-CD2 4.41Å; L535-A538 HydrophobicContact CB-CB 4.37Å; L535-V550 HydrophobicContact CD1-CG1 4.49Å; L535-V550 HydrophobicContact CD2-CG1 4.18Å; L535-V590 PolarHBondContact N-O 3.37Å; L535-M591 HydrophobicContact CB-CG 4.49Å; L535-M591 HydrophobicContact CD1-CE 3.68Å; L535-M591 CarbonylContact O-C 3.54Å; L535-M591 WeakPolarHBondContact O-CA 3.03Å; L535-F592 PolarHBondContact O-N 3.34Å; L535-Y607 HydrophobicContact CD1-CD1 3.93Å; L535-Y607 HydrophobicContact CD1-CD2 4.12Å; L535-Y607 HydrophobicContact CD1-CE1 4.09Å; L535-Y607 HydrophobicContact CD1-CE2 4.31Å; L535-Y607 HydrophobicContact CD1-CG 3.93Å; L535-Y607 HydrophobicContact CD2-CE1 4.18Å; L535-Y607 HydrophobicContact CG-CD1 4.49Å; L535-Y607 HydrophobicContact CG-CE1 4.42Å
536	D	95.2	Very high	91.7	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	16%	0.155	C	C	.	.	S	Bend	trans	-98.6	137.4	178.1	-167.7	20.8	0	0	0	112	K428 L461 P463 I471 M541 F592	K428-D536 WeakPolarHBondContact CE-OD1 3.08Å; K428-D536 IonicContact NZ-OD1 3.17Å; K428-D536 PolarHBondContact NZ-OD1 3.19Å; K428-D536 IonicContact NZ-OD2 2.69Å; L461-D536 PolarHBondContact O-N 3.15Å; P463-D536 WeakPolarHBondContact CD-O 3.41Å; I471-D536 HydrophobicContact CD1-CB 4.36Å; D536-M541 WeakPolarHBondContact O-CE 3.43Å; D536-F592 WeakPolarHBondContact OD1-CB 3.2Å
537	E	90.8	Very high	91.7	Very high	22 Å²	22	24.7 Å²	24.7	10%	0.103	14%	0.143	C	C	.	.	S	Bend	trans	52.2	53.5	-167.3	-64.6	-169	167.5	0	0	112.2	T424 P463 L467 D539 R540 M541 F592	T424-E537 HydrophobicContact CG2-CG 4.38Å; T424-E537 WeakPolarHBondContact CG2-OE1 3.32Å; T424-E537 PolarHBondContact OG1-OE1 3.42Å; P463-E537 HydrophobicContact CG-CB 3.75Å; L467-E537 HydrophobicContact CD2-CB 4.09Å; L467-E537 HydrophobicContact CD2-CG 3.72Å; L467-E537 WeakPolarHBondContact CD2-OE2 3.28Å; E537-D539 VanDerWaalsContact C-N 3.31Å; E537-D539 PolarHBondContact O-N 3.47Å; E537-R540 HydrophobicContact CB-CB 4.02Å; E537-R540 WeakPolarHBondContact O-CB 3.23Å; E537-R540 PolarHBondContact O-N 2.93Å; E537-R540 VanDerWaalsContact O-N 3.14Å; E537-R540 WeakPolarHBondContact OE2-CD 3.48Å; E537-R540 IonicContact OE2-CZ 2.79Å; E537-R540 IonicContact OE2-NE 2.85Å; E537-R540 IonicContact OE2-NH1 2.68Å; E537-R540 PolarHBondContact OE2-NH1 3.24Å; E537-M541 PolarHBondContact O-N 3.31Å; E537-F592 PolarHBondContact N-O 3.03Å
538	A	89.9	Confident	91.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-31.4	-178	0	0	0	0	0	113.9	L535 M541 I542 M591 F592	L535-A538 HydrophobicContact CB-CB 4.37Å; A538-M541 WeakPolarHBondContact O-CB 3.32Å; A538-M541 PolarHBondContact O-N 3.27Å; A538-I542 PolarHBondContact O-N 3.12Å; A538-M591 HydrophobicContact CB-CE 4.32Å; A538-M591 HydrophobicContact CB-CG 3.79Å; A538-M591 HydrophobicContact CB-SD 4.17Å; A538-F592 PolarHBondContact N-O 3.27Å
539	D	85.1	Confident	92	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-49.2	168.6	44.7	5.8	0	0	0	111.9	E537 M541 I542 D543 T593 A594 T595 V600	E537-D539 VanDerWaalsContact C-N 3.31Å; E537-D539 PolarHBondContact O-N 3.47Å; D539-M541 VanDerWaalsContact C-N 3.25Å; D539-M541 PolarHBondContact O-N 3.41Å; D539-I542 WeakPolarHBondContact O-CA 3.12Å; D539-I542 VanDerWaalsContact O-CB 3.31Å; D539-I542 WeakPolarHBondContact O-CB 3.46Å; D539-I542 PolarHBondContact O-N 3.07Å; D539-D543 PolarHBondContact O-N 3.04Å; D539-T593 VanDerWaalsContact CB-OG1 3.32Å; D539-T593 WeakPolarHBondContact CB-OG1 3.44Å; D539-T593 PolarHBondContact N-OG1 3.4Å; D539-T593 PolarHBondContact OD1-OG1 2.97Å; D539-T593 PolarHBondContact OD2-OG1 3.28Å; D539-T593 VanDerWaalsContact OD2-OG1 3.09Å; D539-A594 WeakPolarHBondContact OD2-CA 3.27Å; D539-A594 WeakPolarHBondContact OD2-CB 3.42Å; D539-A594 PolarHBondContact OD2-N 3.26Å; D539-T595 VanDerWaalsContact CB-OG1 3.23Å; D539-T595 WeakPolarHBondContact CB-OG1 3.29Å; D539-T595 PolarHBondContact OD2-N 3.35Å; D539-T595 PolarHBondContact OD2-OG1 2.91Å; D539-V600 HydrophobicContact CB-CG2 4.02Å
540	R	85.9	Confident	92.2	Very high	38 Å²	38	27.1 Å²	27.1	14%	0.143	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-27.1	176.8	-169.9	-178.9	-177	-174.1	0.5	113.3	P463 E537 I542 D543 M544	P463-R540 HydrophobicContact CB-CB 4.3Å; P463-R540 HydrophobicContact CB-CG 4.09Å; P463-R540 HydrophobicContact CG-CB 4.03Å; P463-R540 HydrophobicContact CG-CG 4.03Å; E537-R540 HydrophobicContact CB-CB 4.02Å; E537-R540 WeakPolarHBondContact O-CB 3.23Å; E537-R540 PolarHBondContact O-N 2.93Å; E537-R540 VanDerWaalsContact O-N 3.14Å; E537-R540 WeakPolarHBondContact OE2-CD 3.48Å; E537-R540 IonicContact OE2-CZ 2.79Å; E537-R540 IonicContact OE2-NE 2.85Å; E537-R540 IonicContact OE2-NH1 2.68Å; E537-R540 PolarHBondContact OE2-NH1 3.24Å; R540-I542 VanDerWaalsContact C-N 3.35Å; R540-D543 PolarHBondContact O-N 3.5Å; R540-M544 HydrophobicContact CG-SD 4.35Å; R540-M544 WeakPolarHBondContact O-CB 3.09Å; R540-M544 VanDerWaalsContact O-CG 3.29Å; R540-M544 WeakPolarHBondContact O-CG 3.39Å; R540-M544 PolarHBondContact O-N 2.97Å; R540-M544 VanDerWaalsContact O-N 3.13Å
541	M	90.9	Very high	92	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-40.5	169.8	-65.3	-173.5	-167.1	0	0	111.6	L461 P463 P513 D536 E537 A538 D539 G545 F546 V550	L461-M541 VanDerWaalsContact C-CE 3.48Å; L461-M541 HydrophobicContact CB-CE 3.72Å; L461-M541 VanDerWaalsContact O-CE 3.24Å; L461-M541 WeakPolarHBondContact O-CE 3.42Å; P463-M541 HydrophobicContact CB-CG 3.83Å; P463-M541 HydrophobicContact CG-CG 4.37Å; P513-M541 HydrophobicContact CG-SD 4.19Å; D536-M541 WeakPolarHBondContact O-CE 3.43Å; E537-M541 PolarHBondContact O-N 3.31Å; A538-M541 WeakPolarHBondContact O-CB 3.32Å; A538-M541 PolarHBondContact O-N 3.27Å; D539-M541 VanDerWaalsContact C-N 3.25Å; D539-M541 PolarHBondContact O-N 3.41Å; M541-G545 PolarHBondContact O-N 3.04Å; M541-F546 HydrophobicContact CB-CB 4.42Å; M541-F546 WeakPolarHBondContact O-CB 2.95Å; M541-F546 PolarHBondContact O-N 3.16Å; M541-V550 HydrophobicContact SD-CG2 3.8Å
542	I	88.4	Confident	92	Very high	30 Å²	30	34.3 Å²	34.3	15%	0.154	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-47.7	173.8	-62.9	-57.8	0	0	0	110.7	A538 D539 R540 M544 G545 E547 A599 V600 L603	A538-I542 PolarHBondContact O-N 3.12Å; D539-I542 WeakPolarHBondContact O-CA 3.12Å; D539-I542 VanDerWaalsContact O-CB 3.31Å; D539-I542 WeakPolarHBondContact O-CB 3.46Å; D539-I542 PolarHBondContact O-N 3.07Å; R540-I542 VanDerWaalsContact C-N 3.35Å; I542-M544 PolarHBondContact O-N 3.05Å; I542-G545 WeakPolarHBondContact O-CA 3.11Å; I542-G545 PolarHBondContact O-N 3.09Å; I542-E547 HydrophobicContact CD1-CB 3.63Å; I542-E547 HydrophobicContact CD1-CG 3.7Å; I542-A599 HydrophobicContact CB-CB 4.42Å; I542-A599 HydrophobicContact CD1-CB 3.93Å; I542-A599 HydrophobicContact CG1-CB 3.94Å; I542-A599 HydrophobicContact CG2-CB 3.62Å; I542-V600 HydrophobicContact CG1-CG2 3.89Å; I542-L603 HydrophobicContact CD1-CD1 3.53Å; I542-L603 HydrophobicContact CD1-CG 4.08Å; I542-L603 HydrophobicContact CG1-CD1 4.19Å
543	D	86.4	Confident	91.8	Very high	104 Å²	104	34.2 Å²	34.2	56%	0.556	18%	0.184	S	C	*	.	H	α-helix	trans	-59.2	-32.6	-178.8	-61.2	-25.1	0	0	0	112.7	D539 R540 G545	D539-D543 PolarHBondContact O-N 3.04Å; R540-D543 PolarHBondContact O-N 3.5Å; D543-G545 VanDerWaalsContact C-N 3.28Å
544	M	86.7	Confident	91.6	Very high	91 Å²	91	35.6 Å²	35.6	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.7	176.2	-68.3	-177.4	68.1	0	0	113.7	P463 T464 R540 I542 F546	P463-M544 HydrophobicContact CB-SD 3.98Å; T464-M544 HydrophobicContact CG2-CE 4.24Å; T464-M544 HydrophobicContact CG2-SD 3.82Å; R540-M544 HydrophobicContact CG-SD 4.35Å; R540-M544 WeakPolarHBondContact O-CB 3.09Å; R540-M544 VanDerWaalsContact O-CG 3.29Å; R540-M544 WeakPolarHBondContact O-CG 3.39Å; R540-M544 PolarHBondContact O-N 2.97Å; R540-M544 VanDerWaalsContact O-N 3.13Å; I542-M544 PolarHBondContact O-N 3.05Å; M544-F546 HydrophobicContact CB-CD2 3.72Å; M544-F546 HydrophobicContact CB-CE2 3.71Å; M544-F546 HydrophobicContact CB-CG 4.5Å; M544-F546 HydrophobicContact CB-CZ 4.47Å; M544-F546 HydrophobicContact CE-CE2 3.66Å; M544-F546 HydrophobicContact CE-CZ 4.06Å; M544-F546 HydrophobicContact CG-CE2 4.49Å; M544-F546 HydrophobicContact SD-CE2 4.08Å
545	G	90.1	Very high	91.3	Very high	47 Å²	47	42.7 Å²	42.7	49%	0.485	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	10.9	178.3	0	0	0	0	0	115.2	M541 I542 D543 E547 P548	M541-G545 PolarHBondContact O-N 3.04Å; I542-G545 WeakPolarHBondContact O-CA 3.11Å; I542-G545 PolarHBondContact O-N 3.09Å; D543-G545 VanDerWaalsContact C-N 3.28Å; G545-E547 PolarHBondContact O-N 2.7Å; G545-P548 WeakPolarHBondContact O-CD 3.46Å
546	F	93.6	Very high	91.2	Very high	43 Å²	43	47 Å²	47	19%	0.189	24%	0.241	C	C	.	.			trans	-79.2	9.6	-176.8	-62.5	-51.3	0	0	0	114.6	P463 P513 M541 M544 P548 D549 V550	P463-F546 WeakPolarHBondContact O-CE2 3.35Å; P513-F546 HydrophobicContact CB-CB 4.19Å; P513-F546 HydrophobicContact CB-CD1 4.36Å; P513-F546 HydrophobicContact CB-CG 4.17Å; P513-F546 HydrophobicContact CG-CB 4.24Å; P513-F546 HydrophobicContact CG-CD2 4.2Å; P513-F546 HydrophobicContact CG-CG 4.22Å; M541-F546 HydrophobicContact CB-CB 4.42Å; M541-F546 WeakPolarHBondContact O-CB 2.95Å; M541-F546 PolarHBondContact O-N 3.16Å; M544-F546 HydrophobicContact CB-CD2 3.72Å; M544-F546 HydrophobicContact CB-CE2 3.71Å; M544-F546 HydrophobicContact CB-CG 4.5Å; M544-F546 HydrophobicContact CB-CZ 4.47Å; M544-F546 HydrophobicContact CE-CE2 3.66Å; M544-F546 HydrophobicContact CE-CZ 4.06Å; M544-F546 HydrophobicContact CG-CE2 4.49Å; M544-F546 HydrophobicContact SD-CE2 4.08Å; F546-P548 VanDerWaalsContact C-CD 3.46Å; F546-P548 VanDerWaalsContact C-N 3.34Å; F546-D549 PolarHBondContact O-N 2.85Å; F546-V550 HydrophobicContact CB-CG2 4.31Å; F546-V550 WeakPolarHBondContact O-CB 3.32Å; F546-V550 VanDerWaalsContact O-CG2 3.29Å; F546-V550 WeakPolarHBondContact O-CG2 3.29Å; F546-V550 PolarHBondContact O-N 3.34Å
547	E	90.8	Very high	91	Very high	35 Å²	35	47.1 Å²	47.1	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-52	-45.1	176.1	-166.1	176.7	171.9	0	0	112.5	I542 G545 Q551 R602 L603	I542-E547 HydrophobicContact CD1-CB 3.63Å; I542-E547 HydrophobicContact CD1-CG 3.7Å; G545-E547 PolarHBondContact O-N 2.7Å; E547-Q551 WeakPolarHBondContact O-CB 3.43Å; E547-Q551 VanDerWaalsContact O-CG 3.25Å; E547-Q551 WeakPolarHBondContact O-CG 3.45Å; E547-Q551 PolarHBondContact O-N 2.95Å; E547-Q551 PolarHBondContact OE1-NE2 3.17Å; E547-R602 VanDerWaalsContact CD-NH2 3.26Å; E547-R602 IonicContact OE1-CZ 3.4Å; E547-R602 VanDerWaalsContact OE1-CZ 3.31Å; E547-R602 IonicContact OE1-NE 3.23Å; E547-R602 PolarHBondContact OE1-NE 2.98Å; E547-R602 IonicContact OE1-NH2 2.74Å; E547-R602 PolarHBondContact OE1-NH2 2.86Å; E547-R602 IonicContact OE2-CZ 3.61Å; E547-R602 IonicContact OE2-NH2 3.3Å; E547-R602 PolarHBondContact OE2-NH2 2.82Å; E547-L603 HydrophobicContact CG-CD2 4.23Å; E547-L603 HydrophobicContact CG-CG 4.45Å
548	P	93.7	Very high	91.1	Very high	84 Å²	84	47.8 Å²	47.8	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-69.8	-40.9	178.4	-17.3	33.1	0	0	0	113	G545 F546 Q551 K552	G545-P548 WeakPolarHBondContact O-CD 3.46Å; F546-P548 VanDerWaalsContact C-CD 3.46Å; F546-P548 VanDerWaalsContact C-N 3.34Å; P548-Q551 PolarHBondContact O-N 3.17Å; P548-K552 WeakPolarHBondContact O-CB 3.33Å; P548-K552 PolarHBondContact O-N 2.99Å
549	D	94.7	Very high	91.2	Very high	48 Å²	48	53.4 Å²	53.4	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-43.5	179.4	-57.4	-82.9	0	0	0	111.3	P513 F546 K552 I553	P513-D549 HydrophobicContact CB-CB 4.1Å; F546-D549 PolarHBondContact O-N 2.85Å; D549-K552 PolarHBondContact O-N 3.06Å; D549-I553 WeakPolarHBondContact O-CD1 3.4Å; D549-I553 VanDerWaalsContact O-CG1 3.24Å; D549-I553 WeakPolarHBondContact O-CG1 3.43Å; D549-I553 PolarHBondContact O-N 2.69Å
550	V	94.1	Very high	91.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-44.4	176.4	173.8	0	0	0	0	110.1	P513 L535 M541 F546 K552 I553 L554 L603 Y607	P513-V550 HydrophobicContact CB-CG2 4.03Å; P513-V550 HydrophobicContact CG-CG2 3.86Å; L535-V550 HydrophobicContact CD1-CG1 4.49Å; L535-V550 HydrophobicContact CD2-CG1 4.18Å; M541-V550 HydrophobicContact SD-CG2 3.8Å; F546-V550 HydrophobicContact CB-CG2 4.31Å; F546-V550 WeakPolarHBondContact O-CB 3.32Å; F546-V550 VanDerWaalsContact O-CG2 3.29Å; F546-V550 WeakPolarHBondContact O-CG2 3.29Å; F546-V550 PolarHBondContact O-N 3.34Å; V550-K552 VanDerWaalsContact C-N 3.34Å; V550-K552 PolarHBondContact O-N 2.88Å; V550-I553 PolarHBondContact O-N 3.28Å; V550-L554 PolarHBondContact O-N 2.77Å; V550-L603 HydrophobicContact CB-CD2 4.48Å; V550-L603 HydrophobicContact CG1-CD1 4.37Å; V550-L603 HydrophobicContact CG1-CD2 3.97Å; V550-Y607 HydrophobicContact CG1-CE2 3.63Å; V550-Y607 WeakPolarHBondContact CG1-OH 3.35Å; V550-Y607 PolarHBondContact O-OH 2.95Å
551	Q	92.2	Very high	91.9	Very high	78 Å²	78	58.3 Å²	58.3	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-44.7	173.8	-74.9	174.2	12.4	0	0	112.4	E547 P548 I553 L554 L603	E547-Q551 WeakPolarHBondContact O-CB 3.43Å; E547-Q551 VanDerWaalsContact O-CG 3.25Å; E547-Q551 WeakPolarHBondContact O-CG 3.45Å; E547-Q551 PolarHBondContact O-N 2.95Å; E547-Q551 PolarHBondContact OE1-NE2 3.17Å; P548-Q551 PolarHBondContact O-N 3.17Å; Q551-I553 PolarHBondContact O-N 3.15Å; Q551-L554 VanDerWaalsContact O-CB 3.24Å; Q551-L554 WeakPolarHBondContact O-CB 3.26Å; Q551-L554 PolarHBondContact O-N 3.04Å; Q551-L554 VanDerWaalsContact O-N 3.13Å; Q551-L603 HydrophobicContact CG-CD2 4.13Å
552	K	94.4	Very high	92	Very high	79 Å²	79	59.3 Å²	59.3	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-69.8	-29.6	179.7	-174.2	160.3	159.1	-163.1	0	113.3	I517 E521 P548 D549 V550 L554 E555 Y556	I517-K552 HydrophobicContact CD1-CB 3.95Å; I517-K552 HydrophobicContact CD1-CD 3.74Å; I517-K552 HydrophobicContact CD1-CG 3.79Å; E521-K552 WeakPolarHBondContact OE1-CE 3.48Å; E521-K552 IonicContact OE1-NZ 3.65Å; E521-K552 PolarHBondContact OE1-NZ 3.29Å; P548-K552 WeakPolarHBondContact O-CB 3.33Å; P548-K552 PolarHBondContact O-N 2.99Å; D549-K552 PolarHBondContact O-N 3.06Å; V550-K552 VanDerWaalsContact C-N 3.34Å; V550-K552 PolarHBondContact O-N 2.88Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.01Å; K552-E555 WeakPolarHBondContact O-CB 3.21Å; K552-E555 PolarHBondContact O-N 2.75Å; K552-Y556 HydrophobicContact CG-CE2 4.4Å; K552-Y556 VanDerWaalsContact O-CD2 3.26Å; K552-Y556 WeakPolarHBondContact O-CD2 3.48Å
553	I	94.3	Very high	92.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-35.4	170.1	-70.8	158.8	0	0	0	111.5	L461 P513 L516 I517 L520 D549 V550 Q551 E555 Y556	L461-I553 HydrophobicContact CD1-CD1 4.31Å; L461-I553 HydrophobicContact CD1-CG2 4.21Å; L461-I553 HydrophobicContact CD2-CD1 4.23Å; P513-I553 HydrophobicContact CB-CD1 4.08Å; L516-I553 HydrophobicContact CB-CD1 4.2Å; L516-I553 HydrophobicContact CD2-CD1 4.24Å; L516-I553 HydrophobicContact CD2-CG1 4.45Å; L516-I553 HydrophobicContact CD2-CG2 3.88Å; I517-I553 HydrophobicContact CB-CG1 4.25Å; L520-I553 HydrophobicContact CD1-CG1 4.36Å; L520-I553 HydrophobicContact CD1-CG2 4.31Å; D549-I553 WeakPolarHBondContact O-CD1 3.4Å; D549-I553 VanDerWaalsContact O-CG1 3.24Å; D549-I553 WeakPolarHBondContact O-CG1 3.43Å; D549-I553 PolarHBondContact O-N 2.69Å; V550-I553 PolarHBondContact O-N 3.28Å; Q551-I553 PolarHBondContact O-N 3.15Å; I553-E555 PolarHBondContact O-N 3.19Å; I553-Y556 PolarHBondContact O-N 3.46Å
554	L	92	Very high	92.8	Very high	30 Å²	30	55.2 Å²	55.2	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-33.6	177.7	-174.3	58	0	0	0	112.5	V550 Q551 K552 Y556 I557 Y607	V550-L554 PolarHBondContact O-N 2.77Å; Q551-L554 VanDerWaalsContact O-CB 3.24Å; Q551-L554 WeakPolarHBondContact O-CB 3.26Å; Q551-L554 PolarHBondContact O-N 3.04Å; Q551-L554 VanDerWaalsContact O-N 3.13Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.01Å; L554-Y556 PolarHBondContact O-N 3.37Å; L554-I557 HydrophobicContact CD1-CD1 4.18Å; L554-I557 PolarHBondContact O-N 3.5Å; L554-I557 VanDerWaalsContact O-N 3.13Å; L554-Y607 HydrophobicContact CB-CE1 4.4Å; L554-Y607 HydrophobicContact CB-CE2 3.89Å; L554-Y607 HydrophobicContact CD1-CD1 3.9Å; L554-Y607 HydrophobicContact CD1-CD2 4.45Å; L554-Y607 HydrophobicContact CD1-CE1 3.78Å; L554-Y607 HydrophobicContact CD1-CE2 4.31Å; L554-Y607 HydrophobicContact CD1-CG 4.25Å; L554-Y607 HydrophobicContact CD2-CD2 3.84Å; L554-Y607 HydrophobicContact CD2-CE2 3.88Å; L554-Y607 HydrophobicContact CD2-CG 4.26Å; L554-Y607 HydrophobicContact CG-CE2 4.25Å
555	E	92.6	Very high	93.1	Very high	150 Å²	150	56.2 Å²	56.2	70%	0.701	31%	0.308	S	S	*	.	H	α-helix	trans	-65.3	-25.8	179.5	-58.6	176.3	171.1	0	0	112.9	K552 I553	K552-E555 WeakPolarHBondContact O-CB 3.21Å; K552-E555 PolarHBondContact O-N 2.75Å; I553-E555 PolarHBondContact O-N 3.19Å
556	Y	93.7	Very high	93.3	Very high	91 Å²	91	56.6 Å²	56.6	36%	0.357	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-11	175.4	-70.7	-81	0	0	0	113.9	L520 E521 K552 I553 L554	L520-Y556 HydrophobicContact CB-CD1 4.12Å; L520-Y556 HydrophobicContact CB-CD2 4.09Å; L520-Y556 HydrophobicContact CB-CE1 4.21Å; L520-Y556 HydrophobicContact CB-CE2 4.19Å; L520-Y556 HydrophobicContact CB-CG 4.06Å; L520-Y556 HydrophobicContact CD1-CD2 3.91Å; L520-Y556 HydrophobicContact CD1-CG 4Å; L520-Y556 HydrophobicContact CG-CG 4.47Å; E521-Y556 WeakPolarHBondContact CG-OH 3.29Å; K552-Y556 HydrophobicContact CG-CE2 4.4Å; K552-Y556 VanDerWaalsContact O-CD2 3.26Å; K552-Y556 WeakPolarHBondContact O-CD2 3.48Å; I553-Y556 PolarHBondContact O-N 3.46Å; L554-Y556 PolarHBondContact O-N 3.37Å
557	I	91.8	Very high	93	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	32%	0.319	C	S	.	.	S	Bend	trans	-87.5	130.2	178.2	-53.6	173.6	0	0	0	108.2	L527 V533 L554 V559	L527-I557 HydrophobicContact CD1-CG1 3.76Å; V533-I557 HydrophobicContact CG1-CD1 4.29Å; V533-I557 HydrophobicContact CG2-CD1 3.85Å; L554-I557 HydrophobicContact CD1-CD1 4.18Å; L554-I557 PolarHBondContact O-N 3.5Å; L554-I557 VanDerWaalsContact O-N 3.13Å; I557-V559 PolarHBondContact O-N 3.47Å
558	P	92.1	Very high	93.1	Very high	35 Å²	35	61.9 Å²	61.9	23%	0.227	33%	0.33	C	S	.	.			trans	-48.4	127.7	179	-29.3	34.9	0	0	0	112.8	L527 T560 N561 R587	L527-P558 VanDerWaalsContact O-CD 3.29Å; L527-P558 WeakPolarHBondContact O-CD 3.37Å; P558-T560 VanDerWaalsContact C-N 3.33Å; P558-N561 PolarHBondContact O-OD1 3.49Å; P558-R587 PolarHBondContact O-NH1 3.16Å; P558-R587 VanDerWaalsContact O-NH1 3.16Å
559	V	91.3	Very high	92.9	Very high	119 Å²	119	57.9 Å²	57.9	72%	0.721	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-74.8	-26.2	179	-63.6	0	0	0	0	112.3	I557 N561 Q562	I557-V559 PolarHBondContact O-N 3.47Å; V559-N561 VanDerWaalsContact C-N 3.28Å; V559-N561 PolarHBondContact O-N 3.24Å; V559-Q562 WeakPolarHBondContact O-CB 3.13Å; V559-Q562 PolarHBondContact O-N 2.7Å
560	T	91.5	Very high	92.7	Very high	127 Å²	127	57.9 Å²	57.9	78%	0.779	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-70.2	-19.4	-176.2	49.5	0	0	0	0	114.2	P558	P558-T560 VanDerWaalsContact C-N 3.33Å
561	N	93.9	Very high	92.6	Very high	26 Å²	26	59.4 Å²	59.4	14%	0.139	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-96.8	3	176.8	77.3	5.2	0	0	0	113.5	C530 P558 V559 Y586 R587	C530-N561 PolarHBondContact O-ND2 3.05Å; P558-N561 PolarHBondContact O-OD1 3.49Å; V559-N561 VanDerWaalsContact C-N 3.28Å; V559-N561 PolarHBondContact O-N 3.24Å; N561-Y586 CarbonylContact O-C 3.52Å; N561-Y586 WeakPolarHBondContact O-CA 3.45Å; N561-R587 PolarHBondContact O-N 3.03Å; N561-R587 VanDerWaalsContact OD1-CD 3.28Å; N561-R587 WeakPolarHBondContact OD1-CD 3.41Å; N561-R587 WeakPolarHBondContact OD1-CG 3.17Å
562	Q	94.3	Very high	92.4	Very high	23 Å²	23	56.7 Å²	56.7	11%	0.107	30%	0.299	C	S	.	.	S	Bend	trans	-70	143.5	172.9	-175.3	66.1	-29.6	0	0	110.7	V559 Y586 R587 Y607 R609	V559-Q562 WeakPolarHBondContact O-CB 3.13Å; V559-Q562 PolarHBondContact O-N 2.7Å; Q562-Y586 WeakPolarHBondContact O-CD1 3.46Å; Q562-R587 VanDerWaalsContact CD-NH2 3.29Å; Q562-Y607 PolarHBondContact NE2-O 2.91Å; Q562-R609 HydrophobicContact CG-CG 4.2Å
563	K	95.8	Very high	92.4	Very high	5 Å²	5	59.6 Å²	59.6	2%	0.022	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-59.6	150.1	174.7	-65.9	-178.9	176.2	74.5	0	111.9	N415 D417 A569 M575 Y586 R587 R609	N415-K563 WeakPolarHBondContact O-CE 3.44Å; N415-K563 PolarHBondContact O-NZ 2.77Å; D417-K563 IonicContact OD1-NZ 2.66Å; D417-K563 PolarHBondContact OD1-NZ 2.83Å; K563-A569 HydrophobicContact CB-CB 4.38Å; K563-A569 HydrophobicContact CD-CB 4.24Å; K563-M575 HydrophobicContact CD-CE 4.05Å; K563-Y586 HydrophobicContact CG-CD2 4.41Å; K563-Y586 HydrophobicContact CG-CG 4.11Å; K563-R587 PolarHBondContact NZ-O 3.13Å; K563-R609 HydrophobicContact CB-CB 3.99Å; K563-R609 HydrophobicContact CB-CG 4.19Å; K563-R609 HydrophobicContact CD-CB 4.49Å
564	P	94.4	Very high	92.4	Very high	43 Å²	43	64.6 Å²	64.6	28%	0.279	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-59.9	146.7	165.4	28.7	-35.4	0	0	0	110.4	T566 A569	P564-T566 HydrophobicContact CB-CG2 4.28Å; P564-T566 PolarHBondContact O-N 3.17Å; P564-T566 VanDerWaalsContact O-N 3.14Å; P564-A569 WeakPolarHBondContact O-CB 3.46Å
565	D	93.9	Very high	92.5	Very high	111 Å²	111	63.4 Å²	63.4	59%	0.594	33%	0.33	S	S	*	.	S	Bend	trans	-89.4	56.9	175.1	-158.4	25.3	0	0	0	110.7	R609	D565-R609 WeakPolarHBondContact OD1-CD 3.45Å
566	T	93.6	Very high	92.5	Very high	55 Å²	55	60 Å²	60	34%	0.337	31%	0.314	S	S	.	.	S	Bend	trans	-124.7	169	-178.5	62.1	0	0	0	0	110	P564 E568 A569 R610	P564-T566 HydrophobicContact CB-CG2 4.28Å; P564-T566 PolarHBondContact O-N 3.17Å; P564-T566 VanDerWaalsContact O-N 3.14Å; T566-E568 PolarHBondContact O-N 2.71Å; T566-E568 VanDerWaalsContact O-N 3.12Å; T566-E568 WeakPolarHBondContact OG1-CB 3.39Å; T566-E568 PolarHBondContact OG1-OE2 3.24Å; T566-A569 WeakPolarHBondContact O-CB 3.45Å; T566-A569 PolarHBondContact O-N 3.46Å; T566-A569 VanDerWaalsContact O-N 3.08Å; T566-R610 WeakPolarHBondContact O-CG 3.4Å
567	D	88.1	Confident	92.5	Very high	106 Å²	106	61.8 Å²	61.8	57%	0.567	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-63.5	-16.9	176.7	-60.2	-18.8	0	0	0	112.7	A569 E570 D571 R610	D567-A569 PolarHBondContact O-N 3.1Å; D567-E570 PolarHBondContact O-N 2.59Å; D567-D571 PolarHBondContact O-N 3.44Å; D567-R610 IonicContact OD1-CZ 2.69Å; D567-R610 IonicContact OD1-NE 3.95Å; D567-R610 PolarHBondContact OD1-NE 2.82Å; D567-R610 IonicContact OD1-NH2 3.19Å; D567-R610 PolarHBondContact OD1-NH2 3.33Å
568	E	92.2	Very high	92.6	Very high	84 Å²	84	62.8 Å²	62.8	39%	0.393	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.7	173.4	-51.5	179.7	118.7	0	0	112.3	T566 E570 D571 K574 M575	T566-E568 PolarHBondContact O-N 2.71Å; T566-E568 VanDerWaalsContact O-N 3.12Å; T566-E568 WeakPolarHBondContact OG1-CB 3.39Å; T566-E568 PolarHBondContact OG1-OE2 3.24Å; E568-E570 PolarHBondContact O-N 3.38Å; E568-D571 PolarHBondContact O-N 3.08Å; E568-D571 VanDerWaalsContact O-N 3.16Å; E568-K574 HydrophobicContact CB-CD 4.03Å; E568-K574 HydrophobicContact CG-CD 4.12Å; E568-K574 IonicContact OE1-NZ 3.28Å; E568-K574 PolarHBondContact OE1-NZ 2.9Å; E568-M575 WeakPolarHBondContact O-CG 3.39Å
569	A	91	Very high	92.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-68.3	-14.3	178.3	0	0	0	0	0	113.9	K563 P564 T566 D567 R610	K563-A569 HydrophobicContact CB-CB 4.38Å; K563-A569 HydrophobicContact CD-CB 4.24Å; P564-A569 WeakPolarHBondContact O-CB 3.46Å; T566-A569 WeakPolarHBondContact O-CB 3.45Å; T566-A569 PolarHBondContact O-N 3.46Å; T566-A569 VanDerWaalsContact O-N 3.08Å; D567-A569 PolarHBondContact O-N 3.1Å; A569-R610 HydrophobicContact CB-CB 4.06Å; A569-R610 HydrophobicContact CB-CG 4.07Å
570	E	88.6	Confident	92.6	Very high	48 Å²	48	63.1 Å²	63.1	22%	0.224	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-115.5	5.2	170.2	65.3	165.6	-163.3	0	0	114.5	G371 R416 D567 E568 P572 R610	G371-E570 PolarHBondContact N-OE2 2.97Å; R416-E570 IonicContact NH2-OE2 3Å; D567-E570 PolarHBondContact O-N 2.59Å; E568-E570 PolarHBondContact O-N 3.38Å; E570-P572 WeakPolarHBondContact O-CD 2.98Å; E570-R610 HydrophobicContact CB-CB 4.11Å; E570-R610 HydrophobicContact CG-CB 4.3Å
571	D	92.1	Very high	92.6	Very high	31 Å²	31	59.7 Å²	59.7	17%	0.166	30%	0.304	C	S	.	.			trans	-76.3	119.9	175.5	-170.7	-87.1	0	0	0	111.5	K372 D567 E568 E573 K574 M575	K372-D571 IonicContact NZ-OD2 2.89Å; K372-D571 PolarHBondContact NZ-OD2 2.77Å; D567-D571 PolarHBondContact O-N 3.44Å; E568-D571 PolarHBondContact O-N 3.08Å; E568-D571 VanDerWaalsContact O-N 3.16Å; D571-E573 VanDerWaalsContact C-N 3.33Å; D571-E573 PolarHBondContact O-N 2.73Å; D571-E573 PolarHBondContact OD1-N 3.46Å; D571-K574 HydrophobicContact CB-CB 4.42Å; D571-K574 PolarHBondContact OD1-N 2.93Å; D571-M575 WeakPolarHBondContact O-CB 3.45Å; D571-M575 VanDerWaalsContact O-CG 3.24Å; D571-M575 WeakPolarHBondContact O-CG 3.16Å; D571-M575 PolarHBondContact O-N 3.02Å
572	P	89.8	Confident	92.3	Very high	22 Å²	22	59 Å²	59	14%	0.143	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-35.4	-175.1	-27.8	36.2	0	0	0	115.1	K372 E570 M576	K372-P572 HydrophobicContact CB-CG 3.54Å; K372-P572 HydrophobicContact CD-CG 3.9Å; K372-P572 HydrophobicContact CG-CG 4.39Å; E570-P572 WeakPolarHBondContact O-CD 2.98Å; P572-M576 WeakPolarHBondContact O-CB 3.41Å; P572-M576 PolarHBondContact O-N 2.94Å
573	E	93.4	Very high	92	Very high	139 Å²	139	61.1 Å²	61.1	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-76	-51.7	-173.5	-67	175.2	-164.2	0	0	109.7	D571 M575 M576 M577	D571-E573 VanDerWaalsContact C-N 3.33Å; D571-E573 PolarHBondContact O-N 2.73Å; D571-E573 PolarHBondContact OD1-N 3.46Å; E573-M575 VanDerWaalsContact C-N 3.3Å; E573-M575 PolarHBondContact O-N 2.76Å; E573-M576 PolarHBondContact O-N 3.01Å; E573-M577 WeakPolarHBondContact O-CG 3.45Å; E573-M577 PolarHBondContact O-N 2.82Å
574	K	94.3	Very high	91.7	Very high	107 Å²	107	68.3 Å²	68.3	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.3	-69.4	-176.8	175	178.6	0	111.9	E568 D571 N578	E568-K574 HydrophobicContact CB-CD 4.03Å; E568-K574 HydrophobicContact CG-CD 4.12Å; E568-K574 IonicContact OE1-NZ 3.28Å; E568-K574 PolarHBondContact OE1-NZ 2.9Å; D571-K574 HydrophobicContact CB-CB 4.42Å; D571-K574 PolarHBondContact OD1-N 2.93Å; K574-N578 WeakPolarHBondContact O-CB 3.41Å; K574-N578 PolarHBondContact O-N 3.48Å
575	M	93.7	Very high	91.7	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-77.6	-29.2	-175.8	-66.3	-57.4	-42.1	0	0	113.1	Q414 N415 R416 K563 E568 D571 E573 N578 F579	Q414-M575 CarbonylContact C-O 3.47Å; Q414-M575 CarbonylContact O-C 3.49Å; Q414-M575 VanDerWaalsContact O-C 3.27Å; Q414-M575 WeakPolarHBondContact O-CB 3.41Å; Q414-M575 VanDerWaalsContact O-O 3.07Å; N415-M575 HydrophobicContact CB-CE 3.99Å; R416-M575 HydrophobicContact CG-CB 4.05Å; R416-M575 HydrophobicContact CG-CG 4.29Å; K563-M575 HydrophobicContact CD-CE 4.05Å; E568-M575 WeakPolarHBondContact O-CG 3.39Å; D571-M575 WeakPolarHBondContact O-CB 3.45Å; D571-M575 VanDerWaalsContact O-CG 3.24Å; D571-M575 WeakPolarHBondContact O-CG 3.16Å; D571-M575 PolarHBondContact O-N 3.02Å; E573-M575 VanDerWaalsContact C-N 3.3Å; E573-M575 PolarHBondContact O-N 2.76Å; M575-N578 HydrophobicContact CE-CB 4.33Å; M575-N578 PolarHBondContact O-N 3.3Å; M575-F579 PolarHBondContact O-N 2.87Å
576	M	92.6	Very high	91.8	Very high	78 Å²	78	65.5 Å²	65.5	38%	0.384	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-46	169.4	-168.9	-175.1	-48.3	0	0	111.7	Q414 P572 E573 N578 F579 E580	Q414-M576 HydrophobicContact CG-CE 4.4Å; P572-M576 WeakPolarHBondContact O-CB 3.41Å; P572-M576 PolarHBondContact O-N 2.94Å; E573-M576 PolarHBondContact O-N 3.01Å; M576-N578 PolarHBondContact O-N 3.04Å; M576-F579 WeakPolarHBondContact O-CA 3.23Å; M576-F579 WeakPolarHBondContact O-CB 3.36Å; M576-F579 PolarHBondContact O-N 2.91Å; M576-E580 WeakPolarHBondContact O-CG 3.32Å; M576-E580 PolarHBondContact O-N 3.36Å
577	M	93.1	Very high	91.9	Very high	128 Å²	128	63.3 Å²	63.3	63%	0.631	31%	0.308	S	S	*	.	H	α-helix	trans	-57.4	-36.1	171.2	-68.9	177.2	-173	0	0	111.8	E573 E580 S581	E573-M577 WeakPolarHBondContact O-CG 3.45Å; E573-M577 PolarHBondContact O-N 2.82Å; M577-E580 PolarHBondContact O-N 2.96Å; M577-S581 PolarHBondContact O-N 3.24Å
578	N	94.4	Very high	92.3	Very high	25 Å²	25	58.3 Å²	58.3	13%	0.134	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-32.4	173.8	-171.1	-104.6	0	0	0	113	N415 K574 M575 M576 S581 K585 Y586	N415-N578 PolarHBondContact ND2-OD1 2.61Å; K574-N578 WeakPolarHBondContact O-CB 3.41Å; K574-N578 PolarHBondContact O-N 3.48Å; M575-N578 HydrophobicContact CE-CB 4.33Å; M575-N578 PolarHBondContact O-N 3.3Å; M576-N578 PolarHBondContact O-N 3.04Å; N578-S581 PolarHBondContact O-OG 3.13Å; N578-K585 WeakPolarHBondContact O-CB 3.05Å; N578-Y586 VanDerWaalsContact ND2-CD2 3.34Å; N578-Y586 WeakPolarHBondContact ND2-CD2 3.33Å; N578-Y586 WeakPolarHBondContact OD1-CD2 3.39Å; N578-Y586 PolarHBondContact OD1-N 3.42Å
579	F	92.6	Very high	92.6	Very high	18 Å²	18	54.3 Å²	54.3	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-42.1	171.2	-170.6	-99	0	0	0	111.4	L413 N415 V438 W439 M575 M576 S581 K585	L413-F579 HydrophobicContact CD2-CE1 3.99Å; L413-F579 HydrophobicContact CD2-CZ 3.75Å; L413-F579 WeakPolarHBondContact O-CB 3.27Å; L413-F579 WeakPolarHBondContact O-CD1 3.37Å; L413-F579 WeakPolarHBondContact O-CG 3.29Å; N415-F579 HydrophobicContact CB-CB 3.93Å; N415-F579 HydrophobicContact CB-CD2 3.91Å; N415-F579 HydrophobicContact CB-CG 4.42Å; V438-F579 HydrophobicContact CG1-CE1 4.22Å; V438-F579 HydrophobicContact CG1-CZ 4.35Å; W439-F579 HydrophobicContact CB-CE1 4.47Å; W439-F579 HydrophobicContact CB-CE2 3.99Å; W439-F579 HydrophobicContact CB-CZ 3.71Å; W439-F579 HydrophobicContact CG-CE2 4.48Å; W439-F579 HydrophobicContact CG-CZ 4.49Å; M575-F579 PolarHBondContact O-N 2.87Å; M576-F579 WeakPolarHBondContact O-CA 3.23Å; M576-F579 WeakPolarHBondContact O-CB 3.36Å; M576-F579 PolarHBondContact O-N 2.91Å; F579-S581 VanDerWaalsContact C-N 3.3Å; F579-S581 PolarHBondContact O-N 3.35Å; F579-K585 HydrophobicContact CD2-CD 4.47Å
580	E	91.2	Very high	92.9	Very high	144 Å²	144	54.4 Å²	54.4	67%	0.673	26%	0.263	S	S	*	.	H	α-helix	trans	-73.3	-16.8	-179.1	-67.7	176.9	171	0	0	113.7	M576 M577 G582	M576-E580 WeakPolarHBondContact O-CG 3.32Å; M576-E580 PolarHBondContact O-N 3.36Å; M577-E580 PolarHBondContact O-N 2.96Å; E580-G582 PolarHBondContact O-N 3.13Å
581	S	90.8	Very high	93.3	Very high	54 Å²	54	52.1 Å²	52.1	38%	0.378	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	3.4	174.2	79.6	0	0	0	0	114.5	M577 N578 F579 K583 H584 K585	M577-S581 PolarHBondContact O-N 3.24Å; N578-S581 PolarHBondContact O-OG 3.13Å; F579-S581 VanDerWaalsContact C-N 3.3Å; F579-S581 PolarHBondContact O-N 3.35Å; S581-K583 PolarHBondContact O-N 3.2Å; S581-H584 PolarHBondContact O-N 3.46Å; S581-K585 PolarHBondContact OG-N 3.22Å
582	G	88.6	Confident	93.4	Very high	13 Å²	13	50.7 Å²	50.7	13%	0.134	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	63.9	-119.2	170.1	0	0	0	0	0	111.7	W439 L443 E580 H584 K585	W439-G582 VanDerWaalsContact CZ2-O 3.29Å; W439-G582 WeakPolarHBondContact CZ2-O 3.24Å; W439-G582 PolarHBondContact NE1-O 3.32Å; L443-G582 VanDerWaalsContact CD2-C 3.49Å; E580-G582 PolarHBondContact O-N 3.13Å; G582-H584 PolarHBondContact O-N 3.14Å; G582-K585 PolarHBondContact O-N 2.76Å
583	K	87.3	Confident	93.3	Very high	66 Å²	66	49.6 Å²	49.6	29%	0.287	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-61	-27.7	-173.1	-170.1	170	-174.5	162.8	0	113.8	D447 E450 S581	D447-K583 HydrophobicContact CB-CD 4.21Å; D447-K583 PolarHBondContact O-NZ 3.07Å; E450-K583 WeakPolarHBondContact OE1-CE 3.5Å; E450-K583 IonicContact OE1-NZ 2.62Å; E450-K583 PolarHBondContact OE1-NZ 3.4Å; S581-K583 PolarHBondContact O-N 3.2Å
584	H	89.4	Confident	92.7	Very high	156 Å²	156	45 Å²	45	72%	0.722	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-98.7	13.1	-172.3	-60.6	-63.9	0	0	0	114.5	S581 G582	S581-H584 PolarHBondContact O-N 3.46Å; G582-H584 PolarHBondContact O-N 3.14Å
585	K	94.6	Very high	91.9	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.035	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.3	154	176.6	77.2	167.4	-167.9	70.8	0	112.6	N415 W439 T531 N578 F579 S581 G582	N415-K585 WeakPolarHBondContact OD1-CD 3.36Å; N415-K585 WeakPolarHBondContact OD1-CE 3.3Å; N415-K585 PolarHBondContact OD1-NZ 2.99Å; W439-K585 HydrophobicContact CD2-CD 4.38Å; W439-K585 HydrophobicContact CG-CD 4.29Å; W439-K585 HydrophobicContact CZ2-CD 4.47Å; W439-K585 HydrophobicContact CZ2-CG 4.32Å; T531-K585 PolarHBondContact O-NZ 2.72Å; T531-K585 PolarHBondContact OG1-NZ 3.03Å; N578-K585 WeakPolarHBondContact O-CB 3.05Å; F579-K585 HydrophobicContact CD2-CD 4.47Å; S581-K585 PolarHBondContact OG-N 3.22Å; G582-K585 PolarHBondContact O-N 2.76Å
586	Y	96.7	Very high	91.1	Very high	87 Å²	87	45.3 Å²	45.3	34%	0.341	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-63.7	151.4	169.4	-66.6	-64.8	0	0	0	110.7	N415 T531 N561 Q562 K563 N578	N415-Y586 PolarHBondContact ND2-O 3.31Å; N415-Y586 PolarHBondContact OD1-O 2.77Å; T531-Y586 PolarHBondContact OG1-O 3.04Å; N561-Y586 CarbonylContact O-C 3.52Å; N561-Y586 WeakPolarHBondContact O-CA 3.45Å; Q562-Y586 WeakPolarHBondContact O-CD1 3.46Å; K563-Y586 HydrophobicContact CG-CD2 4.41Å; K563-Y586 HydrophobicContact CG-CG 4.11Å; N578-Y586 VanDerWaalsContact ND2-CD2 3.34Å; N578-Y586 WeakPolarHBondContact ND2-CD2 3.33Å; N578-Y586 WeakPolarHBondContact OD1-CD2 3.39Å; N578-Y586 PolarHBondContact OD1-N 3.42Å
587	R	96.1	Very high	90.3	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.038	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-62.1	146.3	171.4	75.5	174.3	-175.9	-148.8	9	110.1	T531 P558 N561 Q562 K563	T531-R587 CarbonylContact O-C 3.51Å; T531-R587 VanDerWaalsContact O-CA 3.27Å; T531-R587 WeakPolarHBondContact O-CA 3.37Å; P558-R587 PolarHBondContact O-NH1 3.16Å; P558-R587 VanDerWaalsContact O-NH1 3.16Å; N561-R587 PolarHBondContact O-N 3.03Å; N561-R587 VanDerWaalsContact OD1-CD 3.28Å; N561-R587 WeakPolarHBondContact OD1-CD 3.41Å; N561-R587 WeakPolarHBondContact OD1-CG 3.17Å; Q562-R587 VanDerWaalsContact CD-NH2 3.29Å; K563-R587 PolarHBondContact NZ-O 3.13Å
588	Q	96.3	Very high	89.6	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.1	176.2	-175.7	171.2	22.7	0	0	109.3	G412 N415 R416 D417 T531 Y532 V533	G412-Q588 VanDerWaalsContact CA-NE2 3.33Å; G412-Q588 PolarHBondContact O-NE2 3.37Å; G412-Q588 PolarHBondContact O-OE1 2.96Å; N415-Q588 WeakPolarHBondContact OD1-CB 3.37Å; N415-Q588 PolarHBondContact OD1-OE1 3.2Å; R416-Q588 PolarHBondContact O-NE2 2.88Å; D417-Q588 WeakPolarHBondContact OD1-CA 3.33Å; T531-Q588 PolarHBondContact O-N 3.23Å; Y532-Q588 WeakPolarHBondContact CA-O 3.46Å; Y532-Q588 HydrophobicContact CD2-CB 4.06Å; Y532-Q588 HydrophobicContact CD2-CG 4.49Å; Y532-Q588 HydrophobicContact CE2-CB 4.22Å; Y532-Q588 HydrophobicContact CE2-CG 4.15Å; Y532-Q588 VanDerWaalsContact CE2-OE1 3.22Å; V533-Q588 PolarHBondContact N-O 3.11Å
589	T	97.8	Very high	89	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.9	178.4	-50.8	0	0	0	0	109.9	D417 I418 V533 Y607 L608	D417-T589 WeakPolarHBondContact CA-O 3.5Å; D417-T589 WeakPolarHBondContact CB-O 3.38Å; D417-T589 PolarHBondContact OD1-N 3.31Å; I418-T589 PolarHBondContact N-O 3.43Å; I418-T589 VanDerWaalsContact N-O 3.08Å; V533-T589 HydrophobicContact CB-CG2 4.2Å; V533-T589 HydrophobicContact CG1-CG2 4.26Å; V533-T589 CarbonylContact O-C 3.55Å; V533-T589 WeakPolarHBondContact O-CA 3.44Å; T589-Y607 HydrophobicContact CG2-CD1 3.99Å; T589-Y607 PolarHBondContact OG1-O 2.83Å; T589-L608 HydrophobicContact CG2-CD1 4.19Å; T589-L608 HydrophobicContact CG2-CG 3.87Å
590	V	97.7	Very high	88.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.1	174.3	-174.8	0	0	0	0	109.4	I418 F432 Y532 V533 V534 L535 F592	I418-V590 HydrophobicContact CB-CG1 4.03Å; I418-V590 HydrophobicContact CB-CG2 4.29Å; I418-V590 HydrophobicContact CD1-CG2 4.4Å; I418-V590 HydrophobicContact CG2-CG1 4.17Å; I418-V590 CarbonylContact O-C 3.51Å; I418-V590 WeakPolarHBondContact O-CA 3.47Å; F432-V590 HydrophobicContact CB-CG1 4.45Å; Y532-V590 HydrophobicContact CE1-CG2 4.41Å; V533-V590 PolarHBondContact O-N 2.89Å; V534-V590 CarbonylContact C-O 3.52Å; V534-V590 VanDerWaalsContact CA-O 3.28Å; V534-V590 WeakPolarHBondContact CA-O 2.99Å; V534-V590 HydrophobicContact CG2-CB 4.43Å; L535-V590 PolarHBondContact N-O 3.37Å; V590-F592 HydrophobicContact CB-CE2 4.43Å; V590-F592 HydrophobicContact CG1-CD2 3.8Å; V590-F592 HydrophobicContact CG1-CE2 3.19Å; V590-F592 HydrophobicContact CG1-CZ 3.74Å
591	M	96.4	Very high	88.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.4	174.8	177.6	-179.9	-78	0	0	109.1	I418 I419 G420 L535 A538 V600 L603 A604 L608	I418-M591 PolarHBondContact O-N 3.33Å; I419-M591 CarbonylContact C-O 3.57Å; I419-M591 VanDerWaalsContact CA-O 3.31Å; I419-M591 WeakPolarHBondContact CA-O 3.33Å; I419-M591 HydrophobicContact CG1-CB 4.49Å; G420-M591 PolarHBondContact N-O 3.46Å; L535-M591 HydrophobicContact CB-CG 4.49Å; L535-M591 HydrophobicContact CD1-CE 3.68Å; L535-M591 CarbonylContact O-C 3.54Å; L535-M591 WeakPolarHBondContact O-CA 3.03Å; A538-M591 HydrophobicContact CB-CE 4.32Å; A538-M591 HydrophobicContact CB-CG 3.79Å; A538-M591 HydrophobicContact CB-SD 4.17Å; M591-V600 HydrophobicContact SD-CG1 3.73Å; M591-L603 HydrophobicContact CE-CB 3.86Å; M591-A604 HydrophobicContact CE-CB 4.07Å; M591-A604 HydrophobicContact SD-CB 3.94Å; M591-L608 HydrophobicContact CB-CD1 4.19Å; M591-L608 HydrophobicContact CB-CD2 4.29Å; M591-L608 HydrophobicContact CE-CD1 4.03Å
592	F	94.3	Very high	88	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.1	169.2	-70.6	-82.1	0	0	0	111	I404 G420 K428 F432 V534 L535 D536 E537 A538 V590	I404-F592 HydrophobicContact CD1-CE1 4.03Å; I404-F592 HydrophobicContact CG1-CE1 3.75Å; G420-F592 VanDerWaalsContact O-CA 3.3Å; G420-F592 WeakPolarHBondContact O-CA 3.26Å; G420-F592 WeakPolarHBondContact O-CD1 3.3Å; K428-F592 HydrophobicContact CB-CD1 4.16Å; K428-F592 HydrophobicContact CB-CE1 4.21Å; K428-F592 HydrophobicContact CB-CG 4.36Å; K428-F592 HydrophobicContact CB-CZ 4.45Å; K428-F592 HydrophobicContact CD-CB 3.75Å; K428-F592 HydrophobicContact CD-CD1 3.54Å; K428-F592 HydrophobicContact CD-CE1 4.33Å; K428-F592 HydrophobicContact CD-CG 3.74Å; K428-F592 HydrophobicContact CG-CD1 3.79Å; K428-F592 HydrophobicContact CG-CE1 4.08Å; K428-F592 HydrophobicContact CG-CG 4.29Å; F432-F592 HydrophobicContact CB-CE2 4.03Å; F432-F592 AromaticContact CD1-CD2 3.97Å; F432-F592 HydrophobicContact CD1-CD2 3.97Å; F432-F592 AromaticContact CD1-CE2 3.38Å; F432-F592 HydrophobicContact CD1-CE2 3.38Å; F432-F592 HydrophobicContact CD1-CZ 4.19Å; F432-F592 HydrophobicContact CE1-CD2 4.39Å; F432-F592 HydrophobicContact CE1-CE2 4.22Å; F432-F592 HydrophobicContact CG-CE2 4.14Å; V534-F592 HydrophobicContact CG1-CD2 4.43Å; L535-F592 PolarHBondContact O-N 3.34Å; D536-F592 WeakPolarHBondContact OD1-CB 3.2Å; E537-F592 PolarHBondContact N-O 3.03Å; A538-F592 PolarHBondContact N-O 3.27Å; V590-F592 HydrophobicContact CB-CE2 4.43Å; V590-F592 HydrophobicContact CG1-CD2 3.8Å; V590-F592 HydrophobicContact CG1-CE2 3.19Å; V590-F592 HydrophobicContact CG1-CZ 3.74Å
593	T	87.6	Confident	88	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	153.7	-175.2	-168.9	0	0	0	0	109.1	G420 V421 A422 D539 T595 M596 V600	G420-T593 PolarHBondContact O-N 3.47Å; V421-T593 VanDerWaalsContact CA-O 3.31Å; V421-T593 WeakPolarHBondContact CA-O 3.47Å; V421-T593 HydrophobicContact CG2-CG2 4.14Å; A422-T593 PolarHBondContact N-O 2.9Å; D539-T593 VanDerWaalsContact CB-OG1 3.32Å; D539-T593 WeakPolarHBondContact CB-OG1 3.44Å; D539-T593 PolarHBondContact N-OG1 3.4Å; D539-T593 PolarHBondContact OD1-OG1 2.97Å; D539-T593 PolarHBondContact OD2-OG1 3.28Å; D539-T593 VanDerWaalsContact OD2-OG1 3.09Å; T593-T595 WeakPolarHBondContact CB-O 3.46Å; T593-T595 WeakPolarHBondContact CG2-O 3.24Å; T593-T595 PolarHBondContact OG1-N 2.99Å; T593-T595 PolarHBondContact OG1-O 2.88Å; T593-M596 HydrophobicContact CG2-CG 4.43Å; T593-M596 HydrophobicContact CG2-SD 3.64Å; T593-V600 HydrophobicContact CG2-CG1 4.39Å
594	A	81.4	Confident	88	Confident	41 Å²	41	37.5 Å²	37.5	34%	0.339	19%	0.194	S	C	.	.	S	Bend	trans	-86.8	-30.4	169.1	0	0	0	0	0	110.8	D539	D539-A594 WeakPolarHBondContact OD2-CA 3.27Å; D539-A594 WeakPolarHBondContact OD2-CB 3.42Å; D539-A594 PolarHBondContact OD2-N 3.26Å
595	T	76.8	Confident	87.9	Confident	63 Å²	63	39.3 Å²	39.3	39%	0.387	19%	0.194	S	C	.	.			trans	-128.5	162.6	-173.5	63	0	0	0	0	112.2	D539 T593 P597	D539-T595 VanDerWaalsContact CB-OG1 3.23Å; D539-T595 WeakPolarHBondContact CB-OG1 3.29Å; D539-T595 PolarHBondContact OD2-N 3.35Å; D539-T595 PolarHBondContact OD2-OG1 2.91Å; T593-T595 WeakPolarHBondContact CB-O 3.46Å; T593-T595 WeakPolarHBondContact CG2-O 3.24Å; T593-T595 PolarHBondContact OG1-N 2.99Å; T593-T595 PolarHBondContact OG1-O 2.88Å; T595-P597 WeakPolarHBondContact OG1-CD 3.4Å
596	M	77.4	Confident	87.7	Confident	57 Å²	57	41.4 Å²	41.4	28%	0.281	21%	0.21	S	C	.	.			trans	-124.7	65	177.4	-69.1	-67.2	-57.4	0	0	111.2	I419 V421 T593 V600 E601	I419-M596 HydrophobicContact CG2-SD 3.99Å; V421-M596 HydrophobicContact CG2-CG 4.34Å; V421-M596 HydrophobicContact CG2-SD 4.46Å; T593-M596 HydrophobicContact CG2-CG 4.43Å; T593-M596 HydrophobicContact CG2-SD 3.64Å; M596-V600 HydrophobicContact CE-CG1 4.38Å; M596-V600 HydrophobicContact SD-CG1 4.02Å; M596-E601 HydrophobicContact CE-CG 3.89Å
597	P	76.5	Confident	87.6	Confident	44 Å²	44	37.4 Å²	37.4	29%	0.286	19%	0.194	S	C	.	.			trans	-69.4	159.6	170.7	31	-35.9	0	0	0	110.9	T595 A599 V600 E601	T595-P597 WeakPolarHBondContact OG1-CD 3.4Å; P597-A599 PolarHBondContact O-N 3.27Å; P597-V600 HydrophobicContact CG-CB 4.13Å; P597-V600 HydrophobicContact CG-CG2 3.71Å; P597-V600 PolarHBondContact O-N 3.41Å; P597-E601 PolarHBondContact O-N 3.4Å; P597-E601 VanDerWaalsContact O-N 3.12Å
598	P	78.8	Confident	87.5	Confident	93 Å²	93	37.2 Å²	37.2	60%	0.604	19%	0.194	S	C	*	.	H	α-helix	trans	-56.3	-24.9	-176.6	-28.4	35.8	0	0	0	115.4	R602	P598-R602 WeakPolarHBondContact O-CG 3.31Å; P598-R602 PolarHBondContact O-N 2.98Å
599	A	81.6	Confident	87.4	Confident	12 Å²	12	39.9 Å²	39.9	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-71.8	-40.3	175	0	0	0	0	0	113	I542 P597 E601 R602 L603	I542-A599 HydrophobicContact CB-CB 4.42Å; I542-A599 HydrophobicContact CD1-CB 3.93Å; I542-A599 HydrophobicContact CG1-CB 3.94Å; I542-A599 HydrophobicContact CG2-CB 3.62Å; P597-A599 PolarHBondContact O-N 3.27Å; A599-E601 VanDerWaalsContact C-N 3.31Å; A599-R602 WeakPolarHBondContact O-CB 3.47Å; A599-R602 PolarHBondContact O-N 3.44Å; A599-L603 PolarHBondContact O-N 3.14Å
600	V	84.7	Confident	87.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-36.8	171.9	174.5	0	0	0	0	110.1	D539 I542 M591 T593 M596 P597 R602 L603 A604	D539-V600 HydrophobicContact CB-CG2 4.02Å; I542-V600 HydrophobicContact CG1-CG2 3.89Å; M591-V600 HydrophobicContact SD-CG1 3.73Å; T593-V600 HydrophobicContact CG2-CG1 4.39Å; M596-V600 HydrophobicContact CE-CG1 4.38Å; M596-V600 HydrophobicContact SD-CG1 4.02Å; P597-V600 HydrophobicContact CG-CB 4.13Å; P597-V600 HydrophobicContact CG-CG2 3.71Å; P597-V600 PolarHBondContact O-N 3.41Å; V600-R602 PolarHBondContact O-N 3.23Å; V600-L603 PolarHBondContact O-N 2.92Å; V600-A604 VanDerWaalsContact O-CB 3.31Å; V600-A604 WeakPolarHBondContact O-CB 3.44Å; V600-A604 PolarHBondContact O-N 2.93Å
601	E	80.8	Confident	86.9	Confident	83 Å²	83	46.8 Å²	46.8	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-38	171.8	-66.4	-167.1	163.7	0	0	113.1	M596 P597 A599 A604 R605	M596-E601 HydrophobicContact CE-CG 3.89Å; P597-E601 PolarHBondContact O-N 3.4Å; P597-E601 VanDerWaalsContact O-N 3.12Å; A599-E601 VanDerWaalsContact C-N 3.31Å; E601-A604 PolarHBondContact O-N 2.84Å; E601-R605 WeakPolarHBondContact O-CG 3.46Å; E601-R605 PolarHBondContact O-N 3.46Å
602	R	86.8	Confident	86.6	Confident	121 Å²	121	46.8 Å²	46.8	46%	0.457	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-50.8	172.9	-74	-169.6	-56.9	-95.2	6.9	111.3	E547 P598 A599 V600 A604 R605 S606	E547-R602 VanDerWaalsContact CD-NH2 3.26Å; E547-R602 IonicContact OE1-CZ 3.4Å; E547-R602 VanDerWaalsContact OE1-CZ 3.31Å; E547-R602 IonicContact OE1-NE 3.23Å; E547-R602 PolarHBondContact OE1-NE 2.98Å; E547-R602 IonicContact OE1-NH2 2.74Å; E547-R602 PolarHBondContact OE1-NH2 2.86Å; E547-R602 IonicContact OE2-CZ 3.61Å; E547-R602 IonicContact OE2-NH2 3.3Å; E547-R602 PolarHBondContact OE2-NH2 2.82Å; P598-R602 WeakPolarHBondContact O-CG 3.31Å; P598-R602 PolarHBondContact O-N 2.98Å; A599-R602 WeakPolarHBondContact O-CB 3.47Å; A599-R602 PolarHBondContact O-N 3.44Å; V600-R602 PolarHBondContact O-N 3.23Å; R602-A604 PolarHBondContact O-N 2.83Å; R602-R605 PolarHBondContact O-N 2.76Å; R602-S606 PolarHBondContact O-N 2.84Å; R602-S606 VanDerWaalsContact O-N 3.14Å; R602-S606 PolarHBondContact O-OG 3.26Å
603	L	88.3	Confident	86.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.2	-43.7	175.1	-75.6	-177	0	0	0	110.8	I542 E547 V550 Q551 M591 A599 V600 R605 S606 Y607	I542-L603 HydrophobicContact CD1-CD1 3.53Å; I542-L603 HydrophobicContact CD1-CG 4.08Å; I542-L603 HydrophobicContact CG1-CD1 4.19Å; E547-L603 HydrophobicContact CG-CD2 4.23Å; E547-L603 HydrophobicContact CG-CG 4.45Å; V550-L603 HydrophobicContact CB-CD2 4.48Å; V550-L603 HydrophobicContact CG1-CD1 4.37Å; V550-L603 HydrophobicContact CG1-CD2 3.97Å; Q551-L603 HydrophobicContact CG-CD2 4.13Å; M591-L603 HydrophobicContact CE-CB 3.86Å; A599-L603 PolarHBondContact O-N 3.14Å; V600-L603 PolarHBondContact O-N 2.92Å; L603-R605 PolarHBondContact O-N 2.93Å; L603-S606 PolarHBondContact O-N 2.78Å; L603-Y607 WeakPolarHBondContact O-CB 3.48Å; L603-Y607 PolarHBondContact O-N 3.28Å
604	A	88.6	Confident	86.3	Confident	9 Å²	9	47.6 Å²	47.6	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-41.8	-178.8	0	0	0	0	0	112.7	I419 M591 V600 E601 R602 L608	I419-A604 HydrophobicContact CD1-CB 4.02Å; M591-A604 HydrophobicContact CE-CB 4.07Å; M591-A604 HydrophobicContact SD-CB 3.94Å; V600-A604 VanDerWaalsContact O-CB 3.31Å; V600-A604 WeakPolarHBondContact O-CB 3.44Å; V600-A604 PolarHBondContact O-N 2.93Å; E601-A604 PolarHBondContact O-N 2.84Å; R602-A604 PolarHBondContact O-N 2.83Å; A604-L608 HydrophobicContact CB-CD1 4.08Å; A604-L608 WeakPolarHBondContact O-CB 3.25Å; A604-L608 VanDerWaalsContact O-CD1 3.28Å; A604-L608 WeakPolarHBondContact O-CD1 3.47Å; A604-L608 PolarHBondContact O-N 3.43Å
605	R	87.6	Confident	86.3	Confident	195 Å²	195	48.6 Å²	48.6	74%	0.736	24%	0.235	S	C	*	.	H	α-helix	trans	-65.1	-38.4	175.9	-70	175.8	-168	-158.7	5.7	112.8	E601 R602 L603 R609	E601-R605 WeakPolarHBondContact O-CG 3.46Å; E601-R605 PolarHBondContact O-N 3.46Å; R602-R605 PolarHBondContact O-N 2.76Å; L603-R605 PolarHBondContact O-N 2.93Å; R605-R609 PolarHBondContact O-NH1 3.16Å
606	S	90.7	Very high	86.7	Confident	52 Å²	52	47.2 Å²	47.2	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-49.8	177.6	-61.3	0	0	0	0	111.4	R602 L603 R609	R602-S606 PolarHBondContact O-N 2.84Å; R602-S606 VanDerWaalsContact O-N 3.14Å; R602-S606 PolarHBondContact O-OG 3.26Å; L603-S606 PolarHBondContact O-N 2.78Å; S606-R609 PolarHBondContact O-NH1 3.1Å
607	Y	93.3	Very high	86.3	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-81.4	-40.4	-169	-96.3	-95.2	0	0	0	115.1	V533 L535 V550 L554 Q562 T589 L603	V533-Y607 HydrophobicContact CG1-CD1 4.06Å; V533-Y607 HydrophobicContact CG1-CE1 3.81Å; L535-Y607 HydrophobicContact CD1-CD1 3.93Å; L535-Y607 HydrophobicContact CD1-CD2 4.12Å; L535-Y607 HydrophobicContact CD1-CE1 4.09Å; L535-Y607 HydrophobicContact CD1-CE2 4.31Å; L535-Y607 HydrophobicContact CD1-CG 3.93Å; L535-Y607 HydrophobicContact CD2-CE1 4.18Å; L535-Y607 HydrophobicContact CG-CD1 4.49Å; L535-Y607 HydrophobicContact CG-CE1 4.42Å; V550-Y607 HydrophobicContact CG1-CE2 3.63Å; V550-Y607 WeakPolarHBondContact CG1-OH 3.35Å; V550-Y607 PolarHBondContact O-OH 2.95Å; L554-Y607 HydrophobicContact CB-CE1 4.4Å; L554-Y607 HydrophobicContact CB-CE2 3.89Å; L554-Y607 HydrophobicContact CD1-CD1 3.9Å; L554-Y607 HydrophobicContact CD1-CD2 4.45Å; L554-Y607 HydrophobicContact CD1-CE1 3.78Å; L554-Y607 HydrophobicContact CD1-CE2 4.31Å; L554-Y607 HydrophobicContact CD1-CG 4.25Å; L554-Y607 HydrophobicContact CD2-CD2 3.84Å; L554-Y607 HydrophobicContact CD2-CE2 3.88Å; L554-Y607 HydrophobicContact CD2-CG 4.26Å; L554-Y607 HydrophobicContact CG-CE2 4.25Å; Q562-Y607 PolarHBondContact NE2-O 2.91Å; T589-Y607 HydrophobicContact CG2-CD1 3.99Å; T589-Y607 PolarHBondContact OG1-O 2.83Å; L603-Y607 WeakPolarHBondContact O-CB 3.48Å; L603-Y607 PolarHBondContact O-N 3.28Å
608	L	94.6	Very high	85.2	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	25%	0.245	C	C	.	.			trans	-104.3	160.4	-170.1	-59	89.5	0	0	0	112	D417 I418 I419 T589 M591 A604 P611	D417-L608 HydrophobicContact CB-CB 4.16Å; D417-L608 HydrophobicContact CB-CD2 4.15Å; D417-L608 HydrophobicContact CB-CG 4.45Å; D417-L608 VanDerWaalsContact OD2-CA 3.28Å; D417-L608 WeakPolarHBondContact OD2-CA 3.45Å; I418-L608 WeakPolarHBondContact O-CD2 3.36Å; I419-L608 HydrophobicContact CG1-CD2 3.72Å; T589-L608 HydrophobicContact CG2-CD1 4.19Å; T589-L608 HydrophobicContact CG2-CG 3.87Å; M591-L608 HydrophobicContact CB-CD1 4.19Å; M591-L608 HydrophobicContact CB-CD2 4.29Å; M591-L608 HydrophobicContact CE-CD1 4.03Å; A604-L608 HydrophobicContact CB-CD1 4.08Å; A604-L608 WeakPolarHBondContact O-CB 3.25Å; A604-L608 VanDerWaalsContact O-CD1 3.28Å; A604-L608 WeakPolarHBondContact O-CD1 3.47Å; A604-L608 PolarHBondContact O-N 3.43Å; L608-P611 HydrophobicContact CB-CB 4.02Å; L608-P611 HydrophobicContact CB-CG 3.96Å; L608-P611 HydrophobicContact CD2-CB 3.66Å; L608-P611 HydrophobicContact CD2-CG 4.21Å; L608-P611 HydrophobicContact CG-CB 4.47Å
609	R	94.9	Very high	83.7	Confident	58 Å²	58	46.7 Å²	46.7	22%	0.219	24%	0.237	C	C	.	.	S	Bend	trans	-130.8	128.7	171.7	-64.6	-64.6	179.5	-85.2	3.9	110.1	D417 Q562 K563 D565 R605 S606 P611	D417-R609 PolarHBondContact OD2-N 3.4Å; Q562-R609 HydrophobicContact CG-CG 4.2Å; K563-R609 HydrophobicContact CB-CB 3.99Å; K563-R609 HydrophobicContact CB-CG 4.19Å; K563-R609 HydrophobicContact CD-CB 4.49Å; D565-R609 WeakPolarHBondContact OD1-CD 3.45Å; R605-R609 PolarHBondContact O-NH1 3.16Å; S606-R609 PolarHBondContact O-NH1 3.1Å; R609-P611 VanDerWaalsContact C-CD 3.44Å; R609-P611 VanDerWaalsContact C-N 3.3Å; R609-P611 VanDerWaalsContact O-N 3.14Å
610	R	89.8	Confident	82.3	Confident	109 Å²	109	48 Å²	48	41%	0.411	25%	0.252	S	S	.	.	S	Bend	trans	35	53	-173.7	-62	-59.4	-151.1	-156.9	9.2	114	T566 D567 A569 E570	T566-R610 WeakPolarHBondContact O-CG 3.4Å; D567-R610 IonicContact OD1-CZ 2.69Å; D567-R610 IonicContact OD1-NE 3.95Å; D567-R610 PolarHBondContact OD1-NE 2.82Å; D567-R610 IonicContact OD1-NH2 3.19Å; D567-R610 PolarHBondContact OD1-NH2 3.33Å; A569-R610 HydrophobicContact CB-CB 4.06Å; A569-R610 HydrophobicContact CB-CG 4.07Å; E570-R610 HydrophobicContact CB-CB 4.11Å; E570-R610 HydrophobicContact CG-CB 4.3Å
611	P	93.5	Very high	81.6	Confident	37 Å²	37	51.7 Å²	51.7	24%	0.24	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-70.6	140.1	-171.6	29.3	-35.3	0	0	0	112.4	D417 I419 L608 R609	D417-P611 HydrophobicContact CB-CB 3.96Å; D417-P611 CarbonylContact O-C 3.5Å; D417-P611 VanDerWaalsContact O-CA 3.31Å; D417-P611 WeakPolarHBondContact O-CA 3.3Å; I419-P611 HydrophobicContact CD1-CB 4.33Å; I419-P611 HydrophobicContact CD1-CG 3.9Å; I419-P611 HydrophobicContact CG1-CB 4.07Å; I419-P611 HydrophobicContact CG1-CG 4.2Å; L608-P611 HydrophobicContact CB-CB 4.02Å; L608-P611 HydrophobicContact CB-CG 3.96Å; L608-P611 HydrophobicContact CD2-CB 3.66Å; L608-P611 HydrophobicContact CD2-CG 4.21Å; L608-P611 HydrophobicContact CG-CB 4.47Å; R609-P611 VanDerWaalsContact C-CD 3.44Å; R609-P611 VanDerWaalsContact C-N 3.3Å; R609-P611 VanDerWaalsContact O-N 3.14Å
612	A	90.3	Very high	81.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.2	165.4	0	0	0	0	0	109.6	K369 I373 I411 D417 I418 I419	K369-A612 CarbonylContact O-C 3.27Å; K369-A612 WeakPolarHBondContact O-CA 3.37Å; I373-A612 HydrophobicContact CD1-CB 3.63Å; I411-A612 HydrophobicContact CD1-CB 3.95Å; I411-A612 HydrophobicContact CG2-CB 3.93Å; D417-A612 PolarHBondContact O-N 2.97Å; I418-A612 CarbonylContact C-O 3.57Å; I418-A612 WeakPolarHBondContact CA-O 3.49Å; I419-A612 PolarHBondContact N-O 3.16Å
613	V	85.6	Confident	80.7	Confident	18 Å²	18	42.6 Å²	42.6	11%	0.109	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.9	176.6	-163.9	0	0	0	0	109.2	T368 K369 I419 V421 Y615	T368-V613 CarbonylContact C-O 3.57Å; T368-V613 WeakPolarHBondContact CA-O 3.21Å; K369-V613 HydrophobicContact CB-CB 4.04Å; K369-V613 HydrophobicContact CB-CG2 4.15Å; K369-V613 PolarHBondContact N-O 2.84Å; K369-V613 PolarHBondContact O-N 3.39Å; I419-V613 HydrophobicContact CB-CB 4.45Å; I419-V613 HydrophobicContact CB-CG1 4.02Å; I419-V613 HydrophobicContact CB-CG2 4.26Å; I419-V613 HydrophobicContact CD1-CG2 4.42Å; I419-V613 HydrophobicContact CG2-CG1 4.08Å; I419-V613 CarbonylContact O-C 3.55Å; I419-V613 VanDerWaalsContact O-CA 3.3Å; I419-V613 WeakPolarHBondContact O-CA 3.37Å; I419-V613 WeakPolarHBondContact O-CG1 3.2Å; V421-V613 HydrophobicContact CG2-CG1 4.23Å; V613-Y615 HydrophobicContact CB-CD2 4.43Å; V613-Y615 HydrophobicContact CB-CE2 3.89Å; V613-Y615 HydrophobicContact CG1-CD2 3.78Å; V613-Y615 HydrophobicContact CG1-CE1 4.32Å; V613-Y615 HydrophobicContact CG1-CE2 3.22Å
614	V	89.8	Confident	80.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	104.7	177	-175.5	0	0	0	0	108.5	I366 T368 I404 Q407 I411 I419 G420 V421 I616	I366-V614 HydrophobicContact CG2-CG1 4.08Å; T368-V614 HydrophobicContact CG2-CG2 4.46Å; I404-V614 HydrophobicContact CD1-CB 4.15Å; I404-V614 HydrophobicContact CD1-CG1 3.82Å; Q407-V614 HydrophobicContact CB-CG1 3.9Å; Q407-V614 HydrophobicContact CG-CG1 3.89Å; Q407-V614 HydrophobicContact CG-CG2 4.01Å; I411-V614 HydrophobicContact CD1-CG2 3.58Å; I419-V614 PolarHBondContact O-N 3.49Å; G420-V614 CarbonylContact C-O 3.55Å; V421-V614 PolarHBondContact N-O 3.47Å; V614-I616 HydrophobicContact CG1-CD1 3.96Å
615	Y	82.9	Confident	79.4	Confident	62 Å²	62	48.7 Å²	48.7	24%	0.243	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.4	174.1	-62.1	-94.6	0	0	0	110	I366 T367 K369 V421 V613	I366-Y615 WeakPolarHBondContact CA-O 3.43Å; T367-Y615 PolarHBondContact N-O 2.87Å; T367-Y615 PolarHBondContact O-N 3.36Å; K369-Y615 HydrophobicContact CD-CE2 3.91Å; K369-Y615 HydrophobicContact CG-CE2 4.21Å; K369-Y615 PolarHBondContact NZ-OH 3.31Å; K369-Y615 VanDerWaalsContact NZ-OH 3.09Å; V421-Y615 HydrophobicContact CB-CD1 3.47Å; V421-Y615 VanDerWaalsContact CB-CD1 3.47Å; V421-Y615 HydrophobicContact CB-CE1 3.89Å; V421-Y615 HydrophobicContact CB-CG 4.15Å; V421-Y615 HydrophobicContact CG1-CD1 3.72Å; V421-Y615 HydrophobicContact CG1-CE1 4.08Å; V421-Y615 HydrophobicContact CG2-CD1 3.71Å; V421-Y615 HydrophobicContact CG2-CE1 3.59Å; V421-Y615 HydrophobicContact CG2-CG 4.45Å; V613-Y615 HydrophobicContact CB-CD2 4.43Å; V613-Y615 HydrophobicContact CB-CE2 3.89Å; V613-Y615 HydrophobicContact CG1-CD2 3.78Å; V613-Y615 HydrophobicContact CG1-CE1 4.32Å; V613-Y615 HydrophobicContact CG1-CE2 3.22Å
616	I	84.7	Confident	79.1	Confident	34 Å²	34	39.4 Å²	39.4	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.8	176	-56.2	-58.5	0	0	0	110.2	I366 P403 I404 V421 A422 V614	I366-I616 HydrophobicContact CB-CD1 4.25Å; I366-I616 HydrophobicContact CG1-CD1 3.85Å; I366-I616 HydrophobicContact CG2-CD1 4.04Å; P403-I616 HydrophobicContact CB-CD1 3.88Å; P403-I616 HydrophobicContact CB-CG1 4.47Å; P403-I616 HydrophobicContact CB-CG2 3.74Å; P403-I616 HydrophobicContact CG-CG2 4.44Å; I404-I616 HydrophobicContact CB-CD1 4.39Å; I404-I616 HydrophobicContact CB-CG1 3.9Å; I404-I616 HydrophobicContact CD1-CD1 4.3Å; I404-I616 HydrophobicContact CD1-CG1 3.78Å; I404-I616 HydrophobicContact CG1-CG1 4.41Å; V421-I616 PolarHBondContact O-N 2.98Å; A422-I616 HydrophobicContact CB-CB 4.18Å; A422-I616 HydrophobicContact CB-CG1 4.2Å; V614-I616 HydrophobicContact CG1-CD1 3.96Å
617	G	69.6	Low	78.9	Confident	27 Å²	27	39.7 Å²	39.7	28%	0.278	22%	0.216	S	C	.	.			trans	81.6	154.8	174.5	0	0	0	0	0	115.6	S365	S365-G617 WeakPolarHBondContact O-CA 3.27Å; S365-G617 PolarHBondContact O-N 3.29Å
618	S	52.2	Low	78.7	Confident	102 Å²	102	39.7 Å²	39.7	71%	0.713	22%	0.216	S	C	*	.	S	Bend	trans	-79.6	-3.7	143.6	-53.5	0	0	0	0	111.3	G620 K621	S618-G620 PolarHBondContact O-N 3.18Å; S618-K621 PolarHBondContact O-N 3.02Å
619	A	48.6	Very low	78.5	Confident	53 Å²	53	43.2 Å²	43.2	44%	0.438	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.5	-178.4	0	0	0	0	0	114.8	K621 R625	A619-K621 PolarHBondContact O-N 3.1Å; A619-K621 VanDerWaalsContact O-N 3.15Å; A619-R625 PolarHBondContact O-NH2 3.3Å
620	G	51.9	Low	78.4	Confident	40 Å²	40	40.9 Å²	40.9	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	2.6	169.4	0	0	0	0	0	114.6	S618 P622	S618-G620 PolarHBondContact O-N 3.18Å; G620-P622 WeakPolarHBondContact O-CD 3.34Å
621	K	69.6	Low	78.5	Confident	78 Å²	78	38.4 Å²	38.4	34%	0.339	22%	0.217	S	C	.	.			trans	-104.4	77.4	166.5	-68.6	-172.5	168.9	-160.1	0	112.5	S618 A619 H623 E624 E772	S618-K621 PolarHBondContact O-N 3.02Å; A619-K621 PolarHBondContact O-N 3.1Å; A619-K621 VanDerWaalsContact O-N 3.15Å; K621-H623 PolarHBondContact O-N 3.32Å; K621-H623 VanDerWaalsContact O-N 3.09Å; K621-E624 HydrophobicContact CB-CB 4.43Å; K621-E624 HydrophobicContact CB-CG 4Å; K621-E624 HydrophobicContact CD-CG 3.9Å; K621-E624 WeakPolarHBondContact CD-OE1 3.48Å; K621-E624 WeakPolarHBondContact CE-OE1 3.43Å; K621-E624 IonicContact NZ-OE1 3.86Å; K621-E624 PolarHBondContact NZ-OE1 3.24Å; K621-E624 PolarHBondContact O-N 3.09Å; K621-E624 VanDerWaalsContact O-N 3.15Å; K621-E772 IonicContact NZ-OE2 2.77Å; K621-E772 PolarHBondContact NZ-OE2 3.33Å
622	P	70.2	Confident	78.4	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-44.7	-35.7	169	-33.1	34.6	0	0	0	115.5	G620 E624 R625 V626 I736 I739	G620-P622 WeakPolarHBondContact O-CD 3.34Å; P622-E624 VanDerWaalsContact C-N 3.32Å; P622-E624 PolarHBondContact O-N 2.87Å; P622-R625 WeakPolarHBondContact O-CG 3.25Å; P622-R625 PolarHBondContact O-N 3.31Å; P622-V626 WeakPolarHBondContact O-CB 2.96Å; P622-V626 VanDerWaalsContact O-CG2 3.29Å; P622-V626 WeakPolarHBondContact O-CG2 3.26Å; P622-V626 PolarHBondContact O-N 3.16Å; P622-I736 HydrophobicContact CB-CG2 4.16Å; P622-I736 HydrophobicContact CG-CG2 3.79Å; P622-I739 HydrophobicContact CB-CD1 4.4Å; P622-I739 HydrophobicContact CB-CG1 3.97Å
623	H	78.8	Confident	78.5	Confident	11 Å²	11	40.5 Å²	40.5	5%	0.051	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-35.2	-178.2	63.2	-84.2	0	0	0	113.3	K621 R625 Q628 I739 A769 E772 S773	K621-H623 PolarHBondContact O-N 3.32Å; K621-H623 VanDerWaalsContact O-N 3.09Å; H623-R625 PolarHBondContact O-N 3.02Å; H623-Q628 PolarHBondContact O-NE2 2.99Å; H623-I739 HydrophobicContact CB-CD1 3.98Å; H623-A769 HydrophobicContact CB-CB 4.12Å; H623-A769 PolarHBondContact CD2-O 2.85Å; H623-A769 VanDerWaalsContact CD2-O 3.27Å; H623-E772 IonicContact CD2-OE2 2.84Å; H623-E772 IonicContact CE1-OE2 3.31Å; H623-E772 IonicContact NE2-OE2 2.93Å; H623-E772 PolarHBondContact NE2-OE2 3.32Å; H623-S773 WeakPolarHBondContact O-CB 3.44Å; H623-S773 PolarHBondContact O-OG 3.04Å
624	E	77.9	Confident	78.8	Confident	67 Å²	67	42.6 Å²	42.6	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-21.7	179.8	-66	-176.2	172.3	0	0	113.6	K621 P622 P774	K621-E624 HydrophobicContact CB-CB 4.43Å; K621-E624 HydrophobicContact CB-CG 4Å; K621-E624 HydrophobicContact CD-CG 3.9Å; K621-E624 WeakPolarHBondContact CD-OE1 3.48Å; K621-E624 WeakPolarHBondContact CE-OE1 3.43Å; K621-E624 IonicContact NZ-OE1 3.86Å; K621-E624 PolarHBondContact NZ-OE1 3.24Å; K621-E624 PolarHBondContact O-N 3.09Å; K621-E624 VanDerWaalsContact O-N 3.15Å; P622-E624 VanDerWaalsContact C-N 3.32Å; P622-E624 PolarHBondContact O-N 2.87Å; E624-P774 WeakPolarHBondContact O-CD 3.23Å
625	R	71.7	Confident	78.8	Confident	70 Å²	70	47 Å²	47	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-117.4	-8.6	-172.1	61.3	169	169.6	-179.7	-10.2	115.5	A619 P622 H623	A619-R625 PolarHBondContact O-NH2 3.3Å; P622-R625 WeakPolarHBondContact O-CG 3.25Å; P622-R625 PolarHBondContact O-N 3.31Å; H623-R625 PolarHBondContact O-N 3.02Å
626	V	81.3	Confident	79.2	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-103.3	132.2	179.3	173.3	0	0	0	0	109	P622 Q628 I739 T742 G749 A751 V775 S776	P622-V626 WeakPolarHBondContact O-CB 2.96Å; P622-V626 VanDerWaalsContact O-CG2 3.29Å; P622-V626 WeakPolarHBondContact O-CG2 3.26Å; P622-V626 PolarHBondContact O-N 3.16Å; V626-Q628 PolarHBondContact O-N 3.15Å; V626-Q628 VanDerWaalsContact O-N 3.11Å; V626-I739 HydrophobicContact CG1-CB 4.29Å; V626-T742 HydrophobicContact CG1-CG2 3.82Å; V626-T742 HydrophobicContact CG2-CG2 4.17Å; V626-G749 WeakPolarHBondContact CG1-O 3.45Å; V626-A751 HydrophobicContact CG1-CB 3.6Å; V626-V775 WeakPolarHBondContact O-CG2 3.28Å; V626-S776 PolarHBondContact O-OG 3.31Å
627	E	85.9	Confident	79.5	Confident	59 Å²	59	50.1 Å²	50.1	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	105.3	174.2	-172.4	-168.6	-173.1	0	0	109.3	K629 G749 V750 A751	E627-K629 WeakPolarHBondContact OE1-CE 3.36Å; E627-K629 IonicContact OE1-NZ 3.86Å; E627-K629 PolarHBondContact OE1-NZ 3.48Å; E627-K629 IonicContact OE2-NZ 2.66Å; E627-K629 PolarHBondContact OE2-NZ 2.77Å; E627-G749 PolarHBondContact N-O 3.06Å; E627-V750 WeakPolarHBondContact OE2-CG2 3.5Å; E627-A751 PolarHBondContact O-N 3.32Å
628	Q	89.7	Confident	80.6	Confident	2 Å²	2	49 Å²	49	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126	-178	-64	161.7	84	0	0	110.5	H623 V626 Y735 I739 A751 A769 I770 S776	H623-Q628 PolarHBondContact O-NE2 2.99Å; V626-Q628 PolarHBondContact O-N 3.15Å; V626-Q628 VanDerWaalsContact O-N 3.11Å; Q628-Y735 PolarHBondContact OE1-OH 3.49Å; Q628-I739 HydrophobicContact CG-CD1 4.17Å; Q628-A751 WeakPolarHBondContact CA-O 3.49Å; Q628-A769 PolarHBondContact NE2-O 3.44Å; Q628-I770 HydrophobicContact CB-CG1 4.03Å; Q628-S776 WeakPolarHBondContact CB-OG 3.4Å; Q628-S776 PolarHBondContact N-OG 2.8Å; Q628-S776 PolarHBondContact NE2-OG 3.46Å
629	K	90.4	Very high	82.4	Confident	80 Å²	80	50.5 Å²	50.5	35%	0.348	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124	174.1	-69.8	168.3	175.9	139.5	0	108.9	E627 V750 A751 M752 T753	E627-K629 WeakPolarHBondContact OE1-CE 3.36Å; E627-K629 IonicContact OE1-NZ 3.86Å; E627-K629 PolarHBondContact OE1-NZ 3.48Å; E627-K629 IonicContact OE2-NZ 2.66Å; E627-K629 PolarHBondContact OE2-NZ 2.77Å; K629-V750 HydrophobicContact CD-CG1 4.22Å; K629-A751 PolarHBondContact N-O 3.32Å; K629-M752 HydrophobicContact CB-CG 4.08Å; K629-M752 HydrophobicContact CB-SD 4.27Å; K629-M752 HydrophobicContact CD-CG 4.37Å; K629-M752 HydrophobicContact CD-SD 4.03Å; K629-M752 CarbonylContact O-C 3.47Å; K629-M752 WeakPolarHBondContact O-CA 3.23Å; K629-T753 PolarHBondContact O-N 3.38Å
630	V	92.1	Very high	84.5	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.7	174.1	-56.7	0	0	0	0	110.3	T753 L755 L766 I770 P779 L782	V630-T753 WeakPolarHBondContact CA-O 3.23Å; V630-L755 HydrophobicContact CB-CD1 3.98Å; V630-L755 HydrophobicContact CB-CG 4.46Å; V630-L755 HydrophobicContact CG1-CD1 4.26Å; V630-L755 HydrophobicContact CG2-CD1 4.35Å; V630-L766 HydrophobicContact CG1-CD2 4.16Å; V630-I770 HydrophobicContact CG1-CD1 3.46Å; V630-I770 VanDerWaalsContact CG1-CD1 3.46Å; V630-I770 HydrophobicContact CG2-CD1 4.34Å; V630-P779 HydrophobicContact CG2-CG 3.22Å; V630-L782 HydrophobicContact CG2-CB 4.19Å; V630-L782 HydrophobicContact CG2-CD2 3.97Å
631	L	91.7	Very high	86.4	Confident	57 Å²	57	56.6 Å²	56.6	30%	0.298	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.1	177.6	-64	172.9	0	0	0	108.1	M633 K641 T753 F754 L755	L631-M633 HydrophobicContact CB-CE 3.48Å; L631-M633 VanDerWaalsContact CB-CE 3.48Å; L631-M633 HydrophobicContact CD1-CE 4.25Å; L631-K641 HydrophobicContact CD1-CD 4.34Å; L631-K641 HydrophobicContact CD1-CG 3.94Å; L631-T753 PolarHBondContact N-O 2.91Å; L631-F754 HydrophobicContact CB-CD1 4.41Å; L631-F754 HydrophobicContact CD1-CD1 4.29Å; L631-F754 HydrophobicContact CD1-CE1 4.07Å; L631-L755 PolarHBondContact O-N 2.85Å
632	L	90.7	Very high	87.5	Confident	50 Å²	50	53 Å²	53	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.5	174.6	-78.3	72.4	0	0	0	108.8	L755 E781 L782	L632-L755 WeakPolarHBondContact CA-O 3.26Å; L632-L755 HydrophobicContact CD1-CD1 4.11Å; L632-L755 HydrophobicContact CG-CB 4.3Å; L632-E781 HydrophobicContact CD1-CB 4.13Å; L632-E781 HydrophobicContact CD2-CB 4.3Å; L632-L782 HydrophobicContact CD1-CB 4.3Å
633	M	92.6	Very high	88.5	Confident	31 Å²	31	55.2 Å²	55.2	15%	0.153	27%	0.274	C	S	.	.			trans	-157	173.1	-178.3	66.5	-173.4	74.5	0	0	112.4	L631 E637 K638 K641 F754 L755	L631-M633 HydrophobicContact CB-CE 3.48Å; L631-M633 VanDerWaalsContact CB-CE 3.48Å; L631-M633 HydrophobicContact CD1-CE 4.25Å; M633-E637 HydrophobicContact CB-CB 4.22Å; M633-E637 HydrophobicContact SD-CB 4.42Å; M633-K638 HydrophobicContact CG-CG 4.22Å; M633-K638 VanDerWaalsContact SD-CA 3.57Å; M633-K638 HydrophobicContact SD-CB 4.22Å; M633-K638 HydrophobicContact SD-CG 3.76Å; M633-K641 HydrophobicContact CE-CB 4.13Å; M633-K641 HydrophobicContact CE-CG 3.97Å; M633-K641 HydrophobicContact SD-CB 4.21Å; M633-F754 HydrophobicContact CE-CB 3.89Å; M633-F754 HydrophobicContact CE-CD1 3.41Å; M633-F754 VanDerWaalsContact CE-CD1 3.41Å; M633-F754 HydrophobicContact CE-CD2 4.42Å; M633-F754 HydrophobicContact CE-CE1 4.04Å; M633-F754 HydrophobicContact CE-CG 3.65Å; M633-F754 HydrophobicContact CG-CB 4.5Å; M633-F754 HydrophobicContact SD-CB 3.98Å; M633-F754 HydrophobicContact SD-CD1 4.26Å; M633-F754 HydrophobicContact SD-CD2 4.22Å; M633-F754 HydrophobicContact SD-CG 3.9Å; M633-L755 PolarHBondContact N-O 2.93Å
634	S	92.6	Very high	89.1	Confident	63 Å²	63	59 Å²	59	44%	0.441	29%	0.291	S	S	.	.			trans	-86.4	155.5	167.2	69.6	0	0	0	0	111.9	G636 E637	S634-G636 PolarHBondContact O-N 3.5Å; S634-G636 VanDerWaalsContact O-N 3.12Å; S634-E637 WeakPolarHBondContact CB-OE2 3.32Å; S634-E637 PolarHBondContact N-OE2 3.11Å; S634-E637 WeakPolarHBondContact O-CB 3.41Å; S634-E637 PolarHBondContact O-N 2.89Å; S634-E637 WeakPolarHBondContact OG-CG 3.46Å; S634-E637 PolarHBondContact OG-OE2 3Å
635	E	90.1	Very high	89.7	Confident	92 Å²	92	56.8 Å²	56.8	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-53.8	-35.1	-179.5	-171.6	58.1	-147.7	0	0	113.2	E637 K638	E635-E637 PolarHBondContact O-N 3.49Å; E635-K638 IonicContact OE1-NZ 3.65Å; E635-K638 PolarHBondContact OE1-NZ 2.79Å; E635-K638 WeakPolarHBondContact OE2-CD 3.44Å; E635-K638 WeakPolarHBondContact OE2-CE 3.29Å; E635-K638 IonicContact OE2-NZ 2.85Å; E635-K638 PolarHBondContact OE2-NZ 3.05Å
636	G	90.1	Very high	90.6	Very high	63 Å²	63	53.6 Å²	53.6	65%	0.649	27%	0.27	S	S	*	.	H	α-helix	trans	-70.4	-14.6	178.5	0	0	0	0	0	114.9	S634	S634-G636 PolarHBondContact O-N 3.5Å; S634-G636 VanDerWaalsContact O-N 3.12Å
637	E	91.3	Very high	90.9	Very high	98 Å²	98	57.4 Å²	57.4	46%	0.458	30%	0.297	S	S	.	.	H	α-helix	trans	-94.2	-28.3	-177.5	-69.5	164.6	138.5	0	0	112.6	M633 S634 E635 R639 K640 K641	M633-E637 HydrophobicContact CB-CB 4.22Å; M633-E637 HydrophobicContact SD-CB 4.42Å; S634-E637 WeakPolarHBondContact CB-OE2 3.32Å; S634-E637 PolarHBondContact N-OE2 3.11Å; S634-E637 WeakPolarHBondContact O-CB 3.41Å; S634-E637 PolarHBondContact O-N 2.89Å; S634-E637 WeakPolarHBondContact OG-CG 3.46Å; S634-E637 PolarHBondContact OG-OE2 3Å; E635-E637 PolarHBondContact O-N 3.49Å; E637-R639 VanDerWaalsContact C-N 3.28Å; E637-R639 PolarHBondContact O-N 2.87Å; E637-R639 VanDerWaalsContact O-N 3.13Å; E637-K640 PolarHBondContact O-N 2.87Å; E637-K641 PolarHBondContact O-N 3.14Å
638	K	92.9	Very high	90.9	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-44.6	-48.4	-179.8	-71.9	-178.5	168.7	170.9	0	113.4	M633 E635 K640 K641 L642 Y726 D727 F754	M633-K638 HydrophobicContact CG-CG 4.22Å; M633-K638 VanDerWaalsContact SD-CA 3.57Å; M633-K638 HydrophobicContact SD-CB 4.22Å; M633-K638 HydrophobicContact SD-CG 3.76Å; E635-K638 IonicContact OE1-NZ 3.65Å; E635-K638 PolarHBondContact OE1-NZ 2.79Å; E635-K638 WeakPolarHBondContact OE2-CD 3.44Å; E635-K638 WeakPolarHBondContact OE2-CE 3.29Å; E635-K638 IonicContact OE2-NZ 2.85Å; E635-K638 PolarHBondContact OE2-NZ 3.05Å; K638-K640 PolarHBondContact O-N 3.11Å; K638-K641 PolarHBondContact O-N 2.8Å; K638-L642 WeakPolarHBondContact O-CB 3.46Å; K638-L642 PolarHBondContact O-N 3.35Å; K638-Y726 HydrophobicContact CB-CD2 4.41Å; K638-Y726 HydrophobicContact CB-CE1 4.07Å; K638-Y726 HydrophobicContact CB-CE2 3.71Å; K638-Y726 VanDerWaalsContact CB-CZ 3.49Å; K638-Y726 WeakPolarHBondContact CB-OH 3.16Å; K638-Y726 HydrophobicContact CD-CD1 4.15Å; K638-Y726 HydrophobicContact CD-CE1 3.77Å; K638-Y726 VanDerWaalsContact CD-O 3.28Å; K638-Y726 WeakPolarHBondContact CD-O 3.43Å; K638-Y726 WeakPolarHBondContact CE-O 3.39Å; K638-Y726 PolarHBondContact NZ-O 3.32Å; K638-D727 IonicContact NZ-OD1 3.9Å; K638-D727 PolarHBondContact NZ-OD1 2.68Å; K638-F754 HydrophobicContact CB-CD2 3.93Å; K638-F754 HydrophobicContact CB-CE2 4.41Å; K638-F754 HydrophobicContact CD-CD2 4.48Å; K638-F754 HydrophobicContact CG-CB 4.1Å; K638-F754 HydrophobicContact CG-CD2 3.86Å; K638-F754 HydrophobicContact CG-CG 4.38Å
639	R	90.7	Very high	90.4	Very high	134 Å²	134	64.3 Å²	64.3	51%	0.506	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-37.8	-179.4	-172.3	178.2	180	-152.6	-1.2	113.1	E637 L643 S670 Y726	E637-R639 VanDerWaalsContact C-N 3.28Å; E637-R639 PolarHBondContact O-N 2.87Å; E637-R639 VanDerWaalsContact O-N 3.13Å; R639-L643 WeakPolarHBondContact O-CG 3.42Å; R639-L643 PolarHBondContact O-N 3.49Å; R639-S670 PolarHBondContact NE-OG 2.93Å; R639-S670 PolarHBondContact NH2-OG 3.16Å; R639-Y726 PolarHBondContact N-OH 2.79Å
640	K	91.6	Very high	90.2	Very high	160 Å²	160	62.9 Å²	62.9	70%	0.696	34%	0.337	S	S	*	.	H	α-helix	trans	-72	-42.8	176.7	-65.6	179.6	-175.8	171	0	110.4	E637 K638 L643 E644	E637-K640 PolarHBondContact O-N 2.87Å; K638-K640 PolarHBondContact O-N 3.11Å; K640-L643 PolarHBondContact O-N 2.97Å; K640-E644 PolarHBondContact O-N 3.22Å
641	K	92.2	Very high	89.8	Confident	60 Å²	60	67.8 Å²	67.8	26%	0.261	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-39.6	179.6	-163.2	73.6	-159.2	171.1	0	112.3	L631 M633 E637 K638 L643 E644 V645 F754	L631-K641 HydrophobicContact CD1-CD 4.34Å; L631-K641 HydrophobicContact CD1-CG 3.94Å; M633-K641 HydrophobicContact CE-CB 4.13Å; M633-K641 HydrophobicContact CE-CG 3.97Å; M633-K641 HydrophobicContact SD-CB 4.21Å; E637-K641 PolarHBondContact O-N 3.14Å; K638-K641 PolarHBondContact O-N 2.8Å; K641-L643 VanDerWaalsContact C-N 3.29Å; K641-L643 PolarHBondContact O-N 2.91Å; K641-E644 WeakPolarHBondContact CD-OE2 3.5Å; K641-E644 WeakPolarHBondContact CE-OE2 3.5Å; K641-E644 IonicContact NZ-OE1 2.85Å; K641-E644 PolarHBondContact NZ-OE1 3.09Å; K641-E644 IonicContact NZ-OE2 3.44Å; K641-E644 PolarHBondContact NZ-OE2 2.8Å; K641-E644 WeakPolarHBondContact O-CB 3.47Å; K641-E644 PolarHBondContact O-N 3.36Å; K641-V645 WeakPolarHBondContact O-CG2 3.28Å; K641-V645 PolarHBondContact O-N 3Å; K641-F754 HydrophobicContact CB-CZ 4.25Å; K641-F754 HydrophobicContact CG-CE1 4.15Å; K641-F754 HydrophobicContact CG-CZ 4.3Å
642	L	93.2	Very high	89.4	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-55.9	-45.3	171.6	-179.8	65.7	0	0	0	111.5	K638 V645 L646 I656 L667 L671 I724 Y726 F754	K638-L642 WeakPolarHBondContact O-CB 3.46Å; K638-L642 PolarHBondContact O-N 3.35Å; L642-V645 WeakPolarHBondContact O-CB 3.46Å; L642-V645 PolarHBondContact O-N 2.96Å; L642-L646 HydrophobicContact CD1-CD1 4.21Å; L642-L646 HydrophobicContact CD1-CG 4.28Å; L642-L646 HydrophobicContact CG-CD1 4.01Å; L642-L646 HydrophobicContact CG-CG 4.42Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.4Å; L642-L646 PolarHBondContact O-N 3.04Å; L642-I656 HydrophobicContact CD1-CD1 3.94Å; L642-I656 HydrophobicContact CD2-CD1 4.22Å; L642-L667 HydrophobicContact CD2-CD1 3.79Å; L642-L667 HydrophobicContact CD2-CD2 4.34Å; L642-L667 HydrophobicContact CD2-CG 4.42Å; L642-L671 HydrophobicContact CD2-CD2 4.2Å; L642-I724 HydrophobicContact CD1-CD1 3.76Å; L642-I724 HydrophobicContact CD1-CG2 4.09Å; L642-Y726 HydrophobicContact CB-CD2 4.3Å; L642-Y726 HydrophobicContact CB-CE2 4.27Å; L642-Y726 HydrophobicContact CD2-CD2 3.91Å; L642-Y726 HydrophobicContact CD2-CE2 4.08Å; L642-F754 HydrophobicContact CB-CE2 4.08Å; L642-F754 HydrophobicContact CB-CZ 4.29Å
643	L	91.1	Very high	89.3	Confident	49 Å²	49	67.6 Å²	67.6	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-67	-40.8	179.9	-81.2	168	0	0	0	113.3	R639 K640 K641 V645 L646 S647 M674 Y676	R639-L643 WeakPolarHBondContact O-CG 3.42Å; R639-L643 PolarHBondContact O-N 3.49Å; K640-L643 PolarHBondContact O-N 2.97Å; K641-L643 VanDerWaalsContact C-N 3.29Å; K641-L643 PolarHBondContact O-N 2.91Å; L643-V645 VanDerWaalsContact C-N 3.32Å; L643-L646 PolarHBondContact O-N 3.44Å; L643-S647 VanDerWaalsContact O-CB 3.29Å; L643-S647 WeakPolarHBondContact O-CB 3.35Å; L643-S647 PolarHBondContact O-N 2.55Å; L643-S647 PolarHBondContact O-OG 3.34Å; L643-M674 HydrophobicContact CD1-CE 3.77Å; L643-M674 HydrophobicContact CD1-SD 3.51Å; L643-M674 VanDerWaalsContact CD1-SD 3.51Å; L643-M674 HydrophobicContact CD2-CE 3.18Å; L643-M674 HydrophobicContact CD2-SD 3.61Å; L643-M674 HydrophobicContact CG-CE 3.77Å; L643-M674 HydrophobicContact CG-SD 4.09Å; L643-Y676 HydrophobicContact CD2-CE2 4.23Å
644	E	91.1	Very high	89.2	Confident	90 Å²	90	66.1 Å²	66.1	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-48.6	172.4	-168.7	-165.9	140.9	0	0	110.2	K640 K641 S647 H648	K640-E644 PolarHBondContact O-N 3.22Å; K641-E644 WeakPolarHBondContact CD-OE2 3.5Å; K641-E644 WeakPolarHBondContact CE-OE2 3.5Å; K641-E644 IonicContact NZ-OE1 2.85Å; K641-E644 PolarHBondContact NZ-OE1 3.09Å; K641-E644 IonicContact NZ-OE2 3.44Å; K641-E644 PolarHBondContact NZ-OE2 2.8Å; K641-E644 WeakPolarHBondContact O-CB 3.47Å; K641-E644 PolarHBondContact O-N 3.36Å; E644-S647 PolarHBondContact O-N 3.09Å; E644-S647 PolarHBondContact O-OG 3Å; E644-H648 PolarHBondContact O-N 3.2Å; E644-H648 PolarHBondContact O-ND1 2.92Å
645	V	90.4	Very high	89.1	Confident	20 Å²	20	63.3 Å²	63.3	12%	0.121	34%	0.338	C	S	.	.	H	α-helix	trans	-56.4	-54.3	175.8	163.9	0	0	0	0	111.7	K641 L642 L643 S647 H648 M722 I724 M752	K641-V645 WeakPolarHBondContact O-CG2 3.28Å; K641-V645 PolarHBondContact O-N 3Å; L642-V645 WeakPolarHBondContact O-CB 3.46Å; L642-V645 PolarHBondContact O-N 2.96Å; L643-V645 VanDerWaalsContact C-N 3.32Å; V645-S647 PolarHBondContact O-N 2.86Å; V645-H648 PolarHBondContact O-N 3.3Å; V645-M722 HydrophobicContact CG1-CE 4.35Å; V645-I724 HydrophobicContact CG1-CD1 3.88Å; V645-M752 HydrophobicContact CB-CE 4.01Å; V645-M752 HydrophobicContact CG1-CE 3.26Å; V645-M752 HydrophobicContact CG2-CE 3.47Å; V645-M752 VanDerWaalsContact CG2-CE 3.47Å
646	L	90.9	Very high	89.3	Confident	3 Å²	3	59 Å²	59	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-31.7	-178.1	-63.6	173.7	0	0	0	112.3	L642 L643 H648 G649 F650 I654 L671 Y676 I704 I724	L642-L646 HydrophobicContact CD1-CD1 4.21Å; L642-L646 HydrophobicContact CD1-CG 4.28Å; L642-L646 HydrophobicContact CG-CD1 4.01Å; L642-L646 HydrophobicContact CG-CG 4.42Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.4Å; L642-L646 PolarHBondContact O-N 3.04Å; L643-L646 PolarHBondContact O-N 3.44Å; L646-H648 VanDerWaalsContact C-N 3.26Å; L646-H648 PolarHBondContact O-N 3.49Å; L646-G649 PolarHBondContact O-N 3.37Å; L646-G649 VanDerWaalsContact O-N 3.12Å; L646-F650 HydrophobicContact CB-CE1 4.32Å; L646-F650 HydrophobicContact CD2-CD1 3.75Å; L646-F650 HydrophobicContact CD2-CE1 3.64Å; L646-F650 HydrophobicContact CD2-CZ 4.39Å; L646-I654 HydrophobicContact CD2-CD1 3.47Å; L646-I654 VanDerWaalsContact CD2-CD1 3.47Å; L646-L671 HydrophobicContact CD1-CD2 3.47Å; L646-L671 VanDerWaalsContact CD1-CD2 3.47Å; L646-Y676 HydrophobicContact CB-CE1 4.07Å; L646-Y676 HydrophobicContact CB-CE2 4.19Å; L646-Y676 WeakPolarHBondContact CB-OH 3.34Å; L646-Y676 HydrophobicContact CD1-CD2 4.41Å; L646-Y676 HydrophobicContact CD1-CE2 4.26Å; L646-Y676 PolarHBondContact O-OH 2.86Å; L646-I704 HydrophobicContact CD1-CD1 3.99Å; L646-I704 HydrophobicContact CD2-CD1 4Å; L646-I724 HydrophobicContact CD2-CD1 4.44Å
647	S	88.7	Confident	89.6	Confident	81 Å²	81	56.1 Å²	56.1	57%	0.566	29%	0.287	S	S	*	.	H	α-helix	trans	-70.3	-16.1	179.1	73.5	0	0	0	0	115	L643 E644 V645 G649	L643-S647 VanDerWaalsContact O-CB 3.29Å; L643-S647 WeakPolarHBondContact O-CB 3.35Å; L643-S647 PolarHBondContact O-N 2.55Å; L643-S647 PolarHBondContact O-OG 3.34Å; E644-S647 PolarHBondContact O-N 3.09Å; E644-S647 PolarHBondContact O-OG 3Å; V645-S647 PolarHBondContact O-N 2.86Å; S647-G649 PolarHBondContact O-N 3.35Å
648	H	84.4	Confident	89.7	Confident	152 Å²	152	51.5 Å²	51.5	70%	0.704	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.7	172	-73.2	77.9	0	0	0	112.7	E644 V645 L646	E644-H648 PolarHBondContact O-N 3.2Å; E644-H648 PolarHBondContact O-ND1 2.92Å; V645-H648 PolarHBondContact O-N 3.3Å; L646-H648 VanDerWaalsContact C-N 3.26Å; L646-H648 PolarHBondContact O-N 3.49Å
649	G	80.2	Confident	89.7	Confident	53 Å²	53	53.6 Å²	53.6	55%	0.546	28%	0.277	S	S	.	.			trans	85.9	152.7	-173	0	0	0	0	0	112.5	L646 S647	L646-G649 PolarHBondContact O-N 3.37Å; L646-G649 VanDerWaalsContact O-N 3.12Å; S647-G649 PolarHBondContact O-N 3.35Å
650	F	85.9	Confident	89.7	Confident	51 Å²	51	53.5 Å²	53.5	22%	0.224	28%	0.282	C	S	.	.			trans	-149.8	155.6	177.8	58.3	-91.1	0	0	0	109.9	L646 P652 I654 Y676 D703 I704 M722	L646-F650 HydrophobicContact CB-CE1 4.32Å; L646-F650 HydrophobicContact CD2-CD1 3.75Å; L646-F650 HydrophobicContact CD2-CE1 3.64Å; L646-F650 HydrophobicContact CD2-CZ 4.39Å; F650-P652 HydrophobicContact CE2-CB 4.4Å; F650-P652 WeakPolarHBondContact O-CD 3.38Å; F650-I654 HydrophobicContact CB-CG2 4.19Å; F650-I654 HydrophobicContact CD1-CD1 4.22Å; F650-I654 HydrophobicContact CD2-CB 4.36Å; F650-I654 HydrophobicContact CD2-CD1 3.77Å; F650-I654 HydrophobicContact CD2-CG1 3.88Å; F650-I654 HydrophobicContact CD2-CG2 3.59Å; F650-I654 HydrophobicContact CE1-CD1 4.29Å; F650-I654 HydrophobicContact CE2-CD1 3.82Å; F650-I654 HydrophobicContact CE2-CG1 3.81Å; F650-I654 HydrophobicContact CE2-CG2 4.32Å; F650-I654 HydrophobicContact CG-CD1 3.97Å; F650-I654 HydrophobicContact CG-CG2 4.17Å; F650-I654 HydrophobicContact CZ-CD1 4.1Å; F650-I654 HydrophobicContact CZ-CG1 4.45Å; F650-Y676 HydrophobicContact CE1-CD1 4.13Å; F650-Y676 AromaticContact CE1-CE1 3.91Å; F650-Y676 HydrophobicContact CE1-CE1 3.91Å; F650-Y676 HydrophobicContact CZ-CD1 4.29Å; F650-D703 HydrophobicContact CE2-CB 3.99Å; F650-D703 HydrophobicContact CZ-CB 4.17Å; F650-I704 HydrophobicContact CE1-CD1 4.24Å; F650-I704 HydrophobicContact CE2-CG1 4.05Å; F650-I704 HydrophobicContact CZ-CD1 3.78Å; F650-I704 HydrophobicContact CZ-CG1 3.66Å; F650-M722 HydrophobicContact CB-CE 3.8Å
651	E	83.5	Confident	89.6	Confident	110 Å²	110	50.9 Å²	50.9	51%	0.514	27%	0.271	S	S	.	.			trans	-84.9	110.2	174.5	-173.3	-178.2	-166.8	0	0	108	S721 K747	E651-S721 WeakPolarHBondContact O-CB 3.45Å; E651-S721 PolarHBondContact O-OG 3.38Å; E651-K747 VanDerWaalsContact CD-NZ 3.27Å; E651-K747 IonicContact OE1-NZ 3.92Å; E651-K747 PolarHBondContact OE1-NZ 2.79Å; E651-K747 IonicContact OE2-NZ 3.21Å; E651-K747 PolarHBondContact OE2-NZ 3.25Å
652	P	84.1	Confident	89.6	Confident	69 Å²	69	56.3 Å²	56.3	45%	0.448	29%	0.294	S	S	.	.	S	Bend	trans	-69.2	148	178	29	-34.2	0	0	0	110.8	F650 D703	F650-P652 HydrophobicContact CE2-CB 4.4Å; F650-P652 WeakPolarHBondContact O-CD 3.38Å; P652-D703 HydrophobicContact CB-CB 4.06Å
653	P	87.3	Confident	89.4	Confident	34 Å²	34	57.5 Å²	57.5	22%	0.221	31%	0.308	C	S	.	.			cis	-86.1	153.3	1.5	34.4	-34.9	0	0	0	113.6	L697 V720 S721	P653-L697 HydrophobicContact CB-CD1 3.7Å; P653-L697 HydrophobicContact CB-CD2 4.1Å; P653-L697 HydrophobicContact CB-CG 3.72Å; P653-V720 VanDerWaalsContact O-CG1 3.26Å; P653-V720 WeakPolarHBondContact O-CG1 3.43Å; P653-S721 PolarHBondContact O-N 3.31Å
654	I	90.6	Very high	89.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.5	169.4	64.7	166.5	0	0	0	112	L646 F650 D703 I704 L705 M722 I724	L646-I654 HydrophobicContact CD2-CD1 3.47Å; L646-I654 VanDerWaalsContact CD2-CD1 3.47Å; F650-I654 HydrophobicContact CB-CG2 4.19Å; F650-I654 HydrophobicContact CD1-CD1 4.22Å; F650-I654 HydrophobicContact CD2-CB 4.36Å; F650-I654 HydrophobicContact CD2-CD1 3.77Å; F650-I654 HydrophobicContact CD2-CG1 3.88Å; F650-I654 HydrophobicContact CD2-CG2 3.59Å; F650-I654 HydrophobicContact CE1-CD1 4.29Å; F650-I654 HydrophobicContact CE2-CD1 3.82Å; F650-I654 HydrophobicContact CE2-CG1 3.81Å; F650-I654 HydrophobicContact CE2-CG2 4.32Å; F650-I654 HydrophobicContact CG-CD1 3.97Å; F650-I654 HydrophobicContact CG-CG2 4.17Å; F650-I654 HydrophobicContact CZ-CD1 4.1Å; F650-I654 HydrophobicContact CZ-CG1 4.45Å; I654-D703 PolarHBondContact N-O 2.91Å; I654-D703 VanDerWaalsContact N-O 3.09Å; I654-I704 HydrophobicContact CD1-CD1 4.24Å; I654-I704 HydrophobicContact CD1-CG1 3.99Å; I654-I704 HydrophobicContact CD1-CG2 4.36Å; I654-I704 HydrophobicContact CG1-CB 4.26Å; I654-I704 HydrophobicContact CG1-CG1 3.9Å; I654-I704 HydrophobicContact CG1-CG2 4.16Å; I654-L705 PolarHBondContact O-N 3.12Å; I654-M722 WeakPolarHBondContact CA-O 3.4Å; I654-M722 WeakPolarHBondContact CB-O 3.3Å; I654-M722 HydrophobicContact CD1-CE 4.15Å; I654-M722 HydrophobicContact CG2-CB 3.92Å; I654-M722 HydrophobicContact CG2-CE 4.09Å; I654-I724 HydrophobicContact CD1-CD1 4.49Å
655	I	91.4	Very high	89.5	Confident	5 Å²	5	53 Å²	53	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.1	174.7	-58.6	-177.2	0	0	0	110.6	F657 L705 A707 V720 M722 V723 I724 R741	I655-F657 HydrophobicContact CB-CE2 4.33Å; I655-F657 HydrophobicContact CG2-CD2 3.82Å; I655-F657 HydrophobicContact CG2-CE1 4.25Å; I655-F657 HydrophobicContact CG2-CE2 3.49Å; I655-F657 VanDerWaalsContact CG2-CE2 3.49Å; I655-F657 HydrophobicContact CG2-CG 4.34Å; I655-F657 HydrophobicContact CG2-CZ 3.73Å; I655-L705 CarbonylContact C-O 3.57Å; I655-L705 WeakPolarHBondContact CA-O 3.5Å; I655-L705 HydrophobicContact CD1-CD2 4.32Å; I655-L705 HydrophobicContact CG1-CB 4.28Å; I655-L705 HydrophobicContact CG1-CD2 4.31Å; I655-A707 HydrophobicContact CG2-CB 4.44Å; I655-V720 HydrophobicContact CB-CG1 4.43Å; I655-V720 HydrophobicContact CD1-CG2 3.67Å; I655-V720 HydrophobicContact CG1-CG1 3.94Å; I655-V720 HydrophobicContact CG1-CG2 3.91Å; I655-M722 PolarHBondContact N-O 2.78Å; I655-V723 CarbonylContact O-C 3.59Å; I655-V723 WeakPolarHBondContact O-CA 3.49Å; I655-I724 PolarHBondContact O-N 2.93Å; I655-R741 HydrophobicContact CD1-CB 4.26Å; I655-R741 HydrophobicContact CD1-CG 4.48Å
656	I	94.4	Very high	89.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.1	171.9	-52.9	176.1	0	0	0	109.1	L642 L667 L671 I704 L705 V706 A707 I724	L642-I656 HydrophobicContact CD1-CD1 3.94Å; L642-I656 HydrophobicContact CD2-CD1 4.22Å; I656-L667 HydrophobicContact CG2-CD2 3.91Å; I656-L671 HydrophobicContact CD1-CD1 3.79Å; I656-I704 HydrophobicContact CD1-CG2 3.45Å; I656-I704 VanDerWaalsContact CD1-CG2 3.45Å; I656-I704 HydrophobicContact CG1-CG2 3.85Å; I656-L705 PolarHBondContact N-O 3.33Å; I656-V706 HydrophobicContact CB-CG2 4.47Å; I656-V706 CarbonylContact O-C 3.48Å; I656-V706 WeakPolarHBondContact O-CA 3.26Å; I656-A707 PolarHBondContact O-N 3.27Å; I656-I724 CarbonylContact C-O 3.5Å; I656-I724 VanDerWaalsContact CA-O 3.28Å; I656-I724 WeakPolarHBondContact CA-O 3.47Å; I656-I724 HydrophobicContact CG1-CB 4.28Å; I656-I724 HydrophobicContact CG1-CD1 4.45Å; I656-I724 HydrophobicContact CG2-CB 4.45Å
657	F	95.1	Very high	89.7	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.013	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.7	177.6	-75.7	-75.7	0	0	0	112.8	I655 A707 V723 I724 Y726 D727 R738 R741	I655-F657 HydrophobicContact CB-CE2 4.33Å; I655-F657 HydrophobicContact CG2-CD2 3.82Å; I655-F657 HydrophobicContact CG2-CE1 4.25Å; I655-F657 HydrophobicContact CG2-CE2 3.49Å; I655-F657 VanDerWaalsContact CG2-CE2 3.49Å; I655-F657 HydrophobicContact CG2-CG 4.34Å; I655-F657 HydrophobicContact CG2-CZ 3.73Å; F657-A707 WeakPolarHBondContact CA-O 3.48Å; F657-A707 HydrophobicContact CD1-CB 4.3Å; F657-A707 HydrophobicContact CE1-CB 4.17Å; F657-V723 HydrophobicContact CD2-CG1 3.71Å; F657-V723 HydrophobicContact CE2-CG1 3.86Å; F657-I724 PolarHBondContact N-O 3.32Å; F657-Y726 WeakPolarHBondContact O-CB 3.04Å; F657-Y726 PolarHBondContact O-N 3.23Å; F657-D727 PolarHBondContact O-N 3.39Å; F657-R738 HydrophobicContact CB-CG 4.47Å; F657-R738 HydrophobicContact CD1-CG 3.97Å; F657-R738 HydrophobicContact CD2-CB 3.74Å; F657-R738 HydrophobicContact CD2-CG 3.65Å; F657-R738 HydrophobicContact CE1-CG 4.05Å; F657-R738 HydrophobicContact CE2-CB 3.66Å; F657-R738 HydrophobicContact CE2-CG 3.73Å; F657-R738 HydrophobicContact CG-CB 4.37Å; F657-R738 HydrophobicContact CG-CG 3.78Å; F657-R738 HydrophobicContact CZ-CB 4.24Å; F657-R738 HydrophobicContact CZ-CG 3.94Å; F657-R741 HydrophobicContact CE2-CG 4.44Å; F657-R741 HydrophobicContact CZ-CG 4.29Å
658	V	94.6	Very high	90	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.288	C	S	.	.			trans	-134	150.4	174.3	-67.9	0	0	0	0	110.2	C664 L667 V706 A707 T708 Y726 D727	V658-C664 HydrophobicContact CG2-CB 3.75Å; V658-L667 HydrophobicContact CG1-CD2 3.72Å; V658-V706 HydrophobicContact CG2-CG1 4.18Å; V658-A707 PolarHBondContact N-O 2.93Å; V658-T708 HydrophobicContact CG2-CG2 4.26Å; V658-T708 WeakPolarHBondContact O-CA 3.36Å; V658-Y726 HydrophobicContact CG1-CD1 3.94Å; V658-Y726 HydrophobicContact CG1-CG 4.21Å; V658-D727 WeakPolarHBondContact CA-OD2 3.28Å; V658-D727 WeakPolarHBondContact CB-OD2 3.47Å
659	N	91.6	Very high	90.4	Very high	47 Å²	47	52.9 Å²	52.9	25%	0.251	28%	0.282	S	S	.	.	S	Bend	trans	-79.6	-24.8	-172.4	-70.6	-12.8	0	0	0	113.3	D727 M728 R738	N659-D727 HydrophobicContact CB-CB 4.16Å; N659-D727 PolarHBondContact N-OD2 2.85Å; N659-M728 PolarHBondContact ND2-O 2.56Å; N659-M728 PolarHBondContact OD1-O 3.25Å; N659-R738 PolarHBondContact OD1-NH2 3.48Å
660	Q	90.6	Very high	90.9	Very high	132 Å²	132	51 Å²	51	62%	0.617	26%	0.26	S	S	*	.	S	Bend	trans	-121.1	140.5	-173.7	-63.1	-168.9	11.4	0	0	113.7	K662 G663 C664	Q660-K662 VanDerWaalsContact C-N 3.29Å; Q660-K662 PolarHBondContact O-N 2.93Å; Q660-G663 WeakPolarHBondContact O-CA 3.26Å; Q660-G663 PolarHBondContact O-N 3.49Å; Q660-C664 PolarHBondContact O-N 2.81Å; Q660-C664 VanDerWaalsContact O-N 3.12Å
661	K	90.5	Very high	91.3	Very high	106 Å²	106	48.5 Å²	48.5	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-53.9	-42.1	177.1	-55.2	-173.4	-176.2	176.8	0	112.4	G663 C664 D665 H682 G683	K661-G663 PolarHBondContact O-N 2.87Å; K661-C664 VanDerWaalsContact O-CB 3.31Å; K661-C664 WeakPolarHBondContact O-CB 3.4Å; K661-C664 PolarHBondContact O-N 2.66Å; K661-D665 PolarHBondContact O-N 2.78Å; K661-H682 HydrophobicContact CB-CB 4.35Å; K661-H682 HydrophobicContact CG-CB 4.16Å; K661-G683 PolarHBondContact NZ-O 3.29Å
662	K	91.1	Very high	91.7	Very high	173 Å²	173	47.8 Å²	47.8	75%	0.752	25%	0.246	S	C	*	.	H	α-helix	trans	-63.9	-38.9	176.6	-67.4	-177.3	179.8	178.2	0	112.6	Q660 C664 V666	Q660-K662 VanDerWaalsContact C-N 3.29Å; Q660-K662 PolarHBondContact O-N 2.93Å; K662-C664 VanDerWaalsContact C-N 3.32Å; K662-C664 PolarHBondContact O-N 2.69Å; K662-V666 WeakPolarHBondContact O-CG2 3.44Å; K662-V666 PolarHBondContact O-N 3.13Å; K662-V666 VanDerWaalsContact O-N 3.16Å
663	G	89.7	Confident	92.1	Very high	28 Å²	28	53.5 Å²	53.5	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-40.1	175.6	0	0	0	0	0	111.9	Q660 K661 D665 V666 L667	Q660-G663 WeakPolarHBondContact O-CA 3.26Å; Q660-G663 PolarHBondContact O-N 3.49Å; K661-G663 PolarHBondContact O-N 2.87Å; G663-D665 PolarHBondContact O-N 3.01Å; G663-V666 PolarHBondContact O-N 2.84Å; G663-L667 WeakPolarHBondContact O-CB 3.44Å; G663-L667 PolarHBondContact O-N 3.23Å
664	C	91.5	Very high	92.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-51.4	177.8	-173.6	0	0	0	0	112.4	V658 Q660 K661 K662 A668 V706 T708	V658-C664 HydrophobicContact CG2-CB 3.75Å; Q660-C664 PolarHBondContact O-N 2.81Å; Q660-C664 VanDerWaalsContact O-N 3.12Å; K661-C664 VanDerWaalsContact O-CB 3.31Å; K661-C664 WeakPolarHBondContact O-CB 3.4Å; K661-C664 PolarHBondContact O-N 2.66Å; K662-C664 VanDerWaalsContact C-N 3.32Å; K662-C664 PolarHBondContact O-N 2.69Å; C664-A668 WeakPolarHBondContact O-CB 3.24Å; C664-A668 PolarHBondContact O-N 3.16Å; C664-A668 VanDerWaalsContact O-N 3.09Å; C664-V706 HydrophobicContact CB-CG1 4.34Å; C664-V706 PolarHBondContact SG-O 3.42Å; C664-T708 HydrophobicContact CB-CG2 4.28Å
665	D	92.1	Very high	92.1	Very high	45 Å²	45	58.2 Å²	58.2	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-37.6	-179.8	-75.7	-41.6	0	0	0	113.1	K661 G663 K669 T680 H682 K685	K661-D665 PolarHBondContact O-N 2.78Å; G663-D665 PolarHBondContact O-N 3.01Å; D665-K669 WeakPolarHBondContact O-CB 3.36Å; D665-K669 WeakPolarHBondContact O-CD 3.44Å; D665-K669 WeakPolarHBondContact O-CG 3.42Å; D665-K669 PolarHBondContact O-N 2.86Å; D665-K669 VanDerWaalsContact O-N 3.12Å; D665-T680 PolarHBondContact OD1-OG1 3.28Å; D665-H682 IonicContact OD1-NE2 3.89Å; D665-H682 IonicContact OD2-CE1 2.8Å; D665-H682 IonicContact OD2-NE2 3.74Å; D665-H682 PolarHBondContact OD2-NE2 2.91Å; D665-K685 IonicContact OD1-NZ 2.82Å
666	V	94.1	Very high	92.2	Very high	104 Å²	104	60.5 Å²	60.5	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-68.8	-41.9	178.1	172.6	0	0	0	0	111.2	K662 G663 S670	K662-V666 WeakPolarHBondContact O-CG2 3.44Å; K662-V666 PolarHBondContact O-N 3.13Å; K662-V666 VanDerWaalsContact O-N 3.16Å; G663-V666 PolarHBondContact O-N 2.84Å; V666-S670 PolarHBondContact O-N 3.01Å
667	L	93.4	Very high	92.1	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-47.5	-179.4	-174.2	58.7	0	0	0	111.4	L642 I656 V658 G663 K669 S670 L671 V706 Y726	L642-L667 HydrophobicContact CD2-CD1 3.79Å; L642-L667 HydrophobicContact CD2-CD2 4.34Å; L642-L667 HydrophobicContact CD2-CG 4.42Å; I656-L667 HydrophobicContact CG2-CD2 3.91Å; V658-L667 HydrophobicContact CG1-CD2 3.72Å; G663-L667 WeakPolarHBondContact O-CB 3.44Å; G663-L667 PolarHBondContact O-N 3.23Å; L667-K669 PolarHBondContact O-N 3.2Å; L667-S670 WeakPolarHBondContact O-CA 3.42Å; L667-S670 VanDerWaalsContact O-CB 3.3Å; L667-S670 WeakPolarHBondContact O-CB 3.44Å; L667-S670 PolarHBondContact O-N 2.89Å; L667-S670 VanDerWaalsContact O-N 3.07Å; L667-L671 HydrophobicContact CG-CD1 4.39Å; L667-L671 WeakPolarHBondContact O-CG 2.98Å; L667-L671 PolarHBondContact O-N 2.98Å; L667-V706 HydrophobicContact CB-CG1 4.4Å; L667-V706 HydrophobicContact CD2-CG1 4.15Å; L667-Y726 HydrophobicContact CD1-CD2 4.48Å; L667-Y726 HydrophobicContact CD1-CE2 4.11Å; L667-Y726 HydrophobicContact CD2-CD1 4.3Å; L667-Y726 HydrophobicContact CD2-CD2 3.97Å; L667-Y726 HydrophobicContact CD2-CE2 4.35Å; L667-Y726 HydrophobicContact CD2-CG 3.94Å
668	A	93.1	Very high	91.9	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-43.8	177.3	0	0	0	0	0	112.6	C664 S670 L671 E672 A678 T680 V706	C664-A668 WeakPolarHBondContact O-CB 3.24Å; C664-A668 PolarHBondContact O-N 3.16Å; C664-A668 VanDerWaalsContact O-N 3.09Å; A668-S670 PolarHBondContact O-N 3Å; A668-L671 WeakPolarHBondContact O-CB 3.46Å; A668-L671 PolarHBondContact O-N 3.07Å; A668-E672 PolarHBondContact O-N 3.24Å; A668-A678 HydrophobicContact CB-CB 4.21Å; A668-T680 HydrophobicContact CB-CG2 3.11Å; A668-V706 HydrophobicContact CB-CB 4.31Å; A668-V706 HydrophobicContact CB-CG2 3.92Å
669	K	92.9	Very high	91.8	Very high	132 Å²	132	64.7 Å²	64.7	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-59.8	-32	172.8	-75	173.7	-177.4	177.7	0	112.5	D665 L667 K673	D665-K669 WeakPolarHBondContact O-CB 3.36Å; D665-K669 WeakPolarHBondContact O-CD 3.44Å; D665-K669 WeakPolarHBondContact O-CG 3.42Å; D665-K669 PolarHBondContact O-N 2.86Å; D665-K669 VanDerWaalsContact O-N 3.12Å; L667-K669 PolarHBondContact O-N 3.2Å; K669-K673 WeakPolarHBondContact O-CB 3.31Å; K669-K673 VanDerWaalsContact O-CG 3.28Å; K669-K673 WeakPolarHBondContact O-CG 3.33Å; K669-K673 PolarHBondContact O-N 3.28Å
670	S	91.9	Very high	91.8	Very high	12 Å²	12	63.7 Å²	63.7	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-67.9	-44.2	171.6	-175.2	0	0	0	0	111.3	R639 V666 L667 A668 K673 M674	R639-S670 PolarHBondContact NE-OG 2.93Å; R639-S670 PolarHBondContact NH2-OG 3.16Å; V666-S670 PolarHBondContact O-N 3.01Å; L667-S670 WeakPolarHBondContact O-CA 3.42Å; L667-S670 VanDerWaalsContact O-CB 3.3Å; L667-S670 WeakPolarHBondContact O-CB 3.44Å; L667-S670 PolarHBondContact O-N 2.89Å; L667-S670 VanDerWaalsContact O-N 3.07Å; A668-S670 PolarHBondContact O-N 3Å; S670-K673 PolarHBondContact O-N 3.47Å; S670-M674 VanDerWaalsContact O-CE 3.26Å; S670-M674 WeakPolarHBondContact O-CE 3.29Å; S670-M674 VanDerWaalsContact O-CG 3.28Å; S670-M674 WeakPolarHBondContact O-CG 3.44Å; S670-M674 PolarHBondContact O-N 2.91Å; S670-M674 WeakPolarHBondContact OG-CE 3.32Å
671	L	93.6	Very high	91.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-44.1	-179.4	-68.8	170.6	0	0	0	111.8	L642 L646 I656 L667 A668 K673 M674 G675 Y676 A678 I704 V706	L642-L671 HydrophobicContact CD2-CD2 4.2Å; L646-L671 HydrophobicContact CD1-CD2 3.47Å; L646-L671 VanDerWaalsContact CD1-CD2 3.47Å; I656-L671 HydrophobicContact CD1-CD1 3.79Å; L667-L671 HydrophobicContact CG-CD1 4.39Å; L667-L671 WeakPolarHBondContact O-CG 2.98Å; L667-L671 PolarHBondContact O-N 2.98Å; A668-L671 WeakPolarHBondContact O-CB 3.46Å; A668-L671 PolarHBondContact O-N 3.07Å; L671-K673 PolarHBondContact O-N 3.22Å; L671-M674 HydrophobicContact CD2-CE 4.01Å; L671-M674 CarbonylContact O-C 3.59Å; L671-M674 WeakPolarHBondContact O-CA 3.3Å; L671-M674 PolarHBondContact O-N 3.41Å; L671-G675 PolarHBondContact O-N 3.42Å; L671-Y676 HydrophobicContact CD2-CD2 4.26Å; L671-Y676 PolarHBondContact O-N 3.36Å; L671-A678 HydrophobicContact CB-CB 3.95Å; L671-A678 HydrophobicContact CD1-CB 4.35Å; L671-I704 HydrophobicContact CD1-CD1 4.47Å; L671-I704 HydrophobicContact CD1-CG2 4.19Å; L671-V706 HydrophobicContact CD1-CG2 3.92Å
672	E	92.8	Very high	91.6	Very high	95 Å²	95	53 Å²	53	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-41.7	174.4	-69	-173.1	137.8	0	0	112	A668 M674 G675 Y676 A678 K702	A668-E672 PolarHBondContact O-N 3.24Å; E672-M674 PolarHBondContact O-N 3.15Å; E672-M674 VanDerWaalsContact O-N 3.1Å; E672-G675 PolarHBondContact O-N 2.96Å; E672-Y676 WeakPolarHBondContact CA-O 3.2Å; E672-A678 HydrophobicContact CG-CB 4.17Å; E672-K702 IonicContact OE1-NZ 3.52Å; E672-K702 PolarHBondContact OE1-NZ 3.17Å
673	K	92.3	Very high	90.9	Very high	188 Å²	188	45.9 Å²	45.9	82%	0.817	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.8	173.2	-79.7	179.6	179	-172.3	0	114.2	K669 S670 L671	K669-K673 WeakPolarHBondContact O-CB 3.31Å; K669-K673 VanDerWaalsContact O-CG 3.28Å; K669-K673 WeakPolarHBondContact O-CG 3.33Å; K669-K673 PolarHBondContact O-N 3.28Å; S670-K673 PolarHBondContact O-N 3.47Å; L671-K673 PolarHBondContact O-N 3.22Å
674	M	88	Confident	90.4	Very high	69 Å²	69	47.2 Å²	47.2	34%	0.34	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	8.9	179.8	-61.7	177.9	-49.6	0	0	111.9	L643 S670 L671 E672 Y676	L643-M674 HydrophobicContact CD1-CE 3.77Å; L643-M674 HydrophobicContact CD1-SD 3.51Å; L643-M674 VanDerWaalsContact CD1-SD 3.51Å; L643-M674 HydrophobicContact CD2-CE 3.18Å; L643-M674 HydrophobicContact CD2-SD 3.61Å; L643-M674 HydrophobicContact CG-CE 3.77Å; L643-M674 HydrophobicContact CG-SD 4.09Å; S670-M674 VanDerWaalsContact O-CE 3.26Å; S670-M674 WeakPolarHBondContact O-CE 3.29Å; S670-M674 VanDerWaalsContact O-CG 3.28Å; S670-M674 WeakPolarHBondContact O-CG 3.44Å; S670-M674 PolarHBondContact O-N 2.91Å; S670-M674 WeakPolarHBondContact OG-CE 3.32Å; L671-M674 HydrophobicContact CD2-CE 4.01Å; L671-M674 CarbonylContact O-C 3.59Å; L671-M674 WeakPolarHBondContact O-CA 3.3Å; L671-M674 PolarHBondContact O-N 3.41Å; E672-M674 PolarHBondContact O-N 3.15Å; E672-M674 VanDerWaalsContact O-N 3.1Å; M674-Y676 HydrophobicContact CB-CD2 4.34Å
675	G	89.9	Confident	90	Very high	64 Å²	64	49.7 Å²	49.7	66%	0.66	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	7.7	174.6	0	0	0	0	0	115.3	L671 E672	L671-G675 PolarHBondContact O-N 3.42Å; E672-G675 PolarHBondContact O-N 2.96Å
676	Y	92.6	Very high	89.3	Confident	53 Å²	53	49.6 Å²	49.6	21%	0.208	29%	0.29	C	S	.	.			trans	-91.1	137.6	177	-67.4	-75.5	0	0	0	112.2	L643 L646 F650 L671 E672 M674 A678 I704	L643-Y676 HydrophobicContact CD2-CE2 4.23Å; L646-Y676 HydrophobicContact CB-CE1 4.07Å; L646-Y676 HydrophobicContact CB-CE2 4.19Å; L646-Y676 WeakPolarHBondContact CB-OH 3.34Å; L646-Y676 HydrophobicContact CD1-CD2 4.41Å; L646-Y676 HydrophobicContact CD1-CE2 4.26Å; L646-Y676 PolarHBondContact O-OH 2.86Å; F650-Y676 HydrophobicContact CE1-CD1 4.13Å; F650-Y676 AromaticContact CE1-CE1 3.91Å; F650-Y676 HydrophobicContact CE1-CE1 3.91Å; F650-Y676 HydrophobicContact CZ-CD1 4.29Å; L671-Y676 HydrophobicContact CD2-CD2 4.26Å; L671-Y676 PolarHBondContact O-N 3.36Å; E672-Y676 WeakPolarHBondContact CA-O 3.2Å; M674-Y676 HydrophobicContact CB-CD2 4.34Å; Y676-A678 VanDerWaalsContact C-N 3.33Å; Y676-A678 PolarHBondContact O-N 3.4Å; Y676-I704 HydrophobicContact CD1-CD1 4.03Å; Y676-I704 HydrophobicContact CG-CD1 4.02Å
677	N	92.3	Very high	88.2	Confident	77 Å²	77	49 Å²	49	41%	0.412	28%	0.28	S	S	.	.			trans	-79	77	179.8	-58.5	-50.2	0	0	0	111.2	K702 D703 I704	N677-K702 HydrophobicContact CB-CD 4.02Å; N677-K702 WeakPolarHBondContact O-CD 3.37Å; N677-D703 HydrophobicContact CB-CB 4.42Å; N677-D703 VanDerWaalsContact CB-OD2 3.31Å; N677-D703 WeakPolarHBondContact CB-OD2 3.46Å; N677-D703 PolarHBondContact ND2-OD2 2.81Å; N677-D703 PolarHBondContact O-N 2.87Å; N677-I704 PolarHBondContact O-N 3.38Å
678	A	92.4	Very high	87.5	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	150.1	-177.5	0	0	0	0	0	113.9	A668 L671 E672 Y676 K702 I704	A668-A678 HydrophobicContact CB-CB 4.21Å; L671-A678 HydrophobicContact CB-CB 3.95Å; L671-A678 HydrophobicContact CD1-CB 4.35Å; E672-A678 HydrophobicContact CG-CB 4.17Å; Y676-A678 VanDerWaalsContact C-N 3.33Å; Y676-A678 PolarHBondContact O-N 3.4Å; A678-K702 WeakPolarHBondContact O-CD 3.38Å; A678-K702 WeakPolarHBondContact O-CE 3.43Å; A678-K702 PolarHBondContact O-NZ 2.8Å; A678-I704 CarbonylContact C-O 3.56Å; A678-I704 VanDerWaalsContact CA-O 3.29Å; A678-I704 WeakPolarHBondContact CA-O 3.47Å; A678-I704 HydrophobicContact CB-CB 4.36Å
679	C	91.2	Very high	86.9	Confident	15 Å²	15	61.3 Å²	61.3	10%	0.101	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153	169.1	-95.3	0	0	0	0	110.7	A693 K702 I704 L705 V706	C679-A693 HydrophobicContact CB-CB 4.28Å; C679-K702 VanDerWaalsContact SG-CG 3.53Å; C679-I704 PolarHBondContact N-O 3.47Å; C679-L705 HydrophobicContact CB-CD1 4.01Å; C679-V706 PolarHBondContact O-N 2.84Å
680	T	91.9	Very high	86.3	Confident	25 Å²	25	56.9 Å²	56.9	15%	0.153	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.5	173.8	59.7	0	0	0	0	112.7	D665 A668 K685 V706	D665-T680 PolarHBondContact OD1-OG1 3.28Å; A668-T680 HydrophobicContact CB-CG2 3.11Å; T680-K685 WeakPolarHBondContact OG1-CE 3.18Å; T680-K685 PolarHBondContact OG1-NZ 3.43Å; T680-V706 WeakPolarHBondContact CA-O 3.46Å
681	L	87.9	Confident	85.7	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	106.3	-179.6	-173.5	134.3	0	0	0	111.3	R690 L694 L705 V706 A707 T708 A711 I715	L681-R690 HydrophobicContact CD1-CB 4.33Å; L681-L694 HydrophobicContact CD1-CD2 4Å; L681-L694 HydrophobicContact CD1-CG 4.27Å; L681-L705 HydrophobicContact CB-CD1 3.73Å; L681-L705 HydrophobicContact CB-CG 4.48Å; L681-V706 PolarHBondContact N-O 2.82Å; L681-A707 HydrophobicContact CB-CB 4.49Å; L681-A707 HydrophobicContact CD2-CB 4.25Å; L681-A707 VanDerWaalsContact O-CA 3.23Å; L681-A707 WeakPolarHBondContact O-CA 3.07Å; L681-T708 PolarHBondContact O-N 3.2Å; L681-A711 HydrophobicContact CD2-CB 3.46Å; L681-A711 VanDerWaalsContact CD2-CB 3.46Å; L681-A711 WeakPolarHBondContact CD2-O 3.28Å; L681-A711 HydrophobicContact CG-CB 4.3Å; L681-I715 HydrophobicContact CD1-CD1 3.51Å; L681-I715 HydrophobicContact CD2-CD1 3.41Å; L681-I715 VanDerWaalsContact CD2-CD1 3.41Å; L681-I715 HydrophobicContact CG-CD1 4.01Å
682	H	88.1	Confident	85.2	Confident	14 Å²	14	67.9 Å²	67.9	7%	0.065	37%	0.365	C	S	.	.			trans	-147.1	161.8	-178.8	59.9	92.3	0	0	0	109.8	K661 D665 G684 K685 T708	K661-H682 HydrophobicContact CB-CB 4.35Å; K661-H682 HydrophobicContact CG-CB 4.16Å; D665-H682 IonicContact OD1-NE2 3.89Å; D665-H682 IonicContact OD2-CE1 2.8Å; D665-H682 IonicContact OD2-NE2 3.74Å; D665-H682 PolarHBondContact OD2-NE2 2.91Å; H682-G684 PolarHBondContact ND1-N 3.19Å; H682-G684 PolarHBondContact O-N 3.34Å; H682-K685 VanDerWaalsContact NE2-CE 3.3Å; H682-K685 WeakPolarHBondContact NE2-CE 3.45Å; H682-K685 PolarHBondContact O-N 3.36Å; H682-T708 WeakPolarHBondContact CA-OG1 3.36Å; H682-T708 HydrophobicContact CB-CG2 3.99Å
683	G	77.6	Confident	84.9	Confident	24 Å²	24	63.6 Å²	63.6	25%	0.247	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	31.4	179.4	0	0	0	0	0	115.2	K661	K661-G683 PolarHBondContact NZ-O 3.29Å
684	G	79.9	Confident	84.4	Confident	56 Å²	56	56.3 Å²	56.3	58%	0.577	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-3.3	165	0	0	0	0	0	112.8	H682	H682-G684 PolarHBondContact ND1-N 3.19Å; H682-G684 PolarHBondContact O-N 3.34Å
685	K	81.4	Confident	84.1	Confident	52 Å²	52	56.5 Å²	56.5	23%	0.226	32%	0.323	C	S	.	.	S	Bend	trans	-81.6	135.9	168.9	-62.8	-66.1	-174.5	-178.4	0	109.8	D665 T680 H682 Q689 R690	D665-K685 IonicContact OD1-NZ 2.82Å; T680-K685 WeakPolarHBondContact OG1-CE 3.18Å; T680-K685 PolarHBondContact OG1-NZ 3.43Å; H682-K685 VanDerWaalsContact NE2-CE 3.3Å; H682-K685 WeakPolarHBondContact NE2-CE 3.45Å; H682-K685 PolarHBondContact O-N 3.36Å; K685-Q689 HydrophobicContact CB-CB 4.39Å; K685-R690 HydrophobicContact CB-CG 4.09Å; K685-R690 PolarHBondContact O-NE 3.02Å; K685-R690 PolarHBondContact O-NH2 3.34Å
686	G	79.3	Confident	84	Confident	42 Å²	42	55.2 Å²	55.2	43%	0.433	30%	0.301	S	S	.	.			trans	-67.5	162.4	169.7	0	0	0	0	0	112	E688 Q689 R690	G686-E688 PolarHBondContact O-N 3.41Å; G686-Q689 WeakPolarHBondContact O-CB 3.48Å; G686-Q689 PolarHBondContact O-N 3.22Å; G686-Q689 VanDerWaalsContact O-N 3.16Å; G686-R690 PolarHBondContact O-N 3.14Å; G686-R690 VanDerWaalsContact O-N 3.11Å
687	Q	69.9	Low	83.5	Confident	92 Å²	92	53 Å²	53	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-49.4	-170	-175.5	61.5	15.3	0	0	113	Q689 R690 E691	Q687-Q689 PolarHBondContact O-N 2.91Å; Q687-R690 WeakPolarHBondContact O-CA 3.43Å; Q687-R690 WeakPolarHBondContact O-CB 3.11Å; Q687-R690 PolarHBondContact O-N 3.45Å; Q687-E691 VanDerWaalsContact CG-OE1 3.26Å; Q687-E691 WeakPolarHBondContact CG-OE1 3.44Å; Q687-E691 PolarHBondContact NE2-OE1 3.14Å; Q687-E691 PolarHBondContact O-N 3.37Å
688	E	78.1	Confident	83	Confident	163 Å²	163	56 Å²	56	76%	0.762	30%	0.303	S	S	*	.	H	α-helix	trans	-54.4	-38.4	175.6	-61.4	175.8	167	0	0	112.6	G686 E691 F692	G686-E688 PolarHBondContact O-N 3.41Å; E688-E691 PolarHBondContact O-N 3.12Å; E688-F692 VanDerWaalsContact O-CB 3.23Å; E688-F692 WeakPolarHBondContact O-CB 3.23Å; E688-F692 PolarHBondContact O-N 3.01Å
689	Q	81.4	Confident	82.5	Confident	112 Å²	112	59.5 Å²	59.5	52%	0.523	33%	0.332	S	S	.	.	H	α-helix	trans	-70.9	-31.5	177.8	-64.2	-178.6	-3.7	0	0	112.4	K685 G686 Q687 A693	K685-Q689 HydrophobicContact CB-CB 4.39Å; G686-Q689 WeakPolarHBondContact O-CB 3.48Å; G686-Q689 PolarHBondContact O-N 3.22Å; G686-Q689 VanDerWaalsContact O-N 3.16Å; Q687-Q689 PolarHBondContact O-N 2.91Å; Q689-A693 WeakPolarHBondContact O-CB 3.42Å; Q689-A693 PolarHBondContact O-N 2.89Å; Q689-A693 VanDerWaalsContact O-N 3.14Å
690	R	79.6	Confident	82	Confident	40 Å²	40	61.3 Å²	61.3	15%	0.151	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-53.9	172.4	-62.1	175	-168.5	-170.3	4.2	109	E466 L681 K685 G686 Q687 F692 A693 L694	E466-R690 IonicContact OE1-NH1 3.49Å; E466-R690 PolarHBondContact OE1-NH1 3.24Å; L681-R690 HydrophobicContact CD1-CB 4.33Å; K685-R690 HydrophobicContact CB-CG 4.09Å; K685-R690 PolarHBondContact O-NE 3.02Å; K685-R690 PolarHBondContact O-NH2 3.34Å; G686-R690 PolarHBondContact O-N 3.14Å; G686-R690 VanDerWaalsContact O-N 3.11Å; Q687-R690 WeakPolarHBondContact O-CA 3.43Å; Q687-R690 WeakPolarHBondContact O-CB 3.11Å; Q687-R690 PolarHBondContact O-N 3.45Å; R690-F692 VanDerWaalsContact C-N 3.33Å; R690-F692 PolarHBondContact O-N 3.47Å; R690-A693 WeakPolarHBondContact O-CB 3.44Å; R690-A693 PolarHBondContact O-N 2.92Å; R690-A693 VanDerWaalsContact O-N 3.08Å; R690-L694 VanDerWaalsContact O-CG 3.28Å; R690-L694 WeakPolarHBondContact O-CG 3.34Å; R690-L694 PolarHBondContact O-N 3.34Å
691	E	80.7	Confident	81.8	Confident	99 Å²	99	62.7 Å²	62.7	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-42.4	-179.9	-72.7	166.8	-158.8	0	0	112.4	Q687 E688 A693 L694 S695	Q687-E691 VanDerWaalsContact CG-OE1 3.26Å; Q687-E691 WeakPolarHBondContact CG-OE1 3.44Å; Q687-E691 PolarHBondContact NE2-OE1 3.14Å; Q687-E691 PolarHBondContact O-N 3.37Å; E688-E691 PolarHBondContact O-N 3.12Å; E691-A693 PolarHBondContact O-N 3.15Å; E691-L694 PolarHBondContact O-N 2.95Å; E691-S695 VanDerWaalsContact O-CB 3.3Å; E691-S695 WeakPolarHBondContact O-CB 3.25Å; E691-S695 PolarHBondContact O-N 3.37Å
692	F	83.1	Confident	81.9	Confident	143 Å²	143	64.9 Å²	64.9	63%	0.627	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-43.3	173.6	-178.1	-105	0	0	0	112.4	E688 R690 N696	E688-F692 VanDerWaalsContact O-CB 3.23Å; E688-F692 WeakPolarHBondContact O-CB 3.23Å; E688-F692 PolarHBondContact O-N 3.01Å; R690-F692 VanDerWaalsContact C-N 3.33Å; R690-F692 PolarHBondContact O-N 3.47Å; F692-N696 WeakPolarHBondContact CD1-ND2 3.34Å; F692-N696 WeakPolarHBondContact CE1-ND2 3.28Å; F692-N696 WeakPolarHBondContact CE2-ND2 3.47Å; F692-N696 WeakPolarHBondContact CZ-ND2 3.32Å; F692-N696 PolarHBondContact O-N 3.05Å; F692-N696 PolarHBondContact O-ND2 3.06Å
693	A	84.8	Confident	82	Confident	6 Å²	6	65.8 Å²	65.8	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-40.5	176.1	0	0	0	0	0	112.2	C679 Q689 R690 E691 L697	C679-A693 HydrophobicContact CB-CB 4.28Å; Q689-A693 WeakPolarHBondContact O-CB 3.42Å; Q689-A693 PolarHBondContact O-N 2.89Å; Q689-A693 VanDerWaalsContact O-N 3.14Å; R690-A693 WeakPolarHBondContact O-CB 3.44Å; R690-A693 PolarHBondContact O-N 2.92Å; R690-A693 VanDerWaalsContact O-N 3.08Å; E691-A693 PolarHBondContact O-N 3.15Å; A693-L697 WeakPolarHBondContact O-CB 3.48Å; A693-L697 PolarHBondContact O-N 2.9Å; A693-L697 VanDerWaalsContact O-N 3.12Å
694	L	82	Confident	82.7	Confident	34 Å²	34	64.7 Å²	64.7	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-41.8	177.4	-63.7	176.3	0	0	0	112.4	L681 R690 E691 L697 K698 I715 I717	L681-L694 HydrophobicContact CD1-CD2 4Å; L681-L694 HydrophobicContact CD1-CG 4.27Å; R690-L694 VanDerWaalsContact O-CG 3.28Å; R690-L694 WeakPolarHBondContact O-CG 3.34Å; R690-L694 PolarHBondContact O-N 3.34Å; E691-L694 PolarHBondContact O-N 2.95Å; L694-L697 PolarHBondContact O-N 3.32Å; L694-K698 WeakPolarHBondContact O-CB 3.39Å; L694-K698 WeakPolarHBondContact O-CG 2.99Å; L694-K698 PolarHBondContact O-N 3.39Å; L694-I715 HydrophobicContact CD1-CD1 4.26Å; L694-I715 HydrophobicContact CD1-CG2 4.06Å; L694-I715 HydrophobicContact CD2-CD1 4.3Å; L694-I715 HydrophobicContact CD2-CG2 3.61Å; L694-I717 HydrophobicContact CD2-CD1 3.29Å; L694-I717 HydrophobicContact CD2-CG1 3.69Å
695	S	82.8	Confident	83.3	Confident	73 Å²	73	62.1 Å²	62.1	51%	0.51	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-46.5	177	-176.1	0	0	0	0	111.2	E691 L697 K698 A699	E691-S695 VanDerWaalsContact O-CB 3.3Å; E691-S695 WeakPolarHBondContact O-CB 3.25Å; E691-S695 PolarHBondContact O-N 3.37Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 2.91Å; S695-K698 PolarHBondContact O-N 3.43Å; S695-A699 VanDerWaalsContact O-CB 3.25Å; S695-A699 WeakPolarHBondContact O-CB 3.3Å; S695-A699 PolarHBondContact O-N 2.87Å
696	N	86.4	Confident	83.8	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-34.1	176.9	-73.4	-55.8	0	0	0	113.3	F692 G700 A701 K702	F692-N696 WeakPolarHBondContact CD1-ND2 3.34Å; F692-N696 WeakPolarHBondContact CE1-ND2 3.28Å; F692-N696 WeakPolarHBondContact CE2-ND2 3.47Å; F692-N696 WeakPolarHBondContact CZ-ND2 3.32Å; F692-N696 PolarHBondContact O-N 3.05Å; F692-N696 PolarHBondContact O-ND2 3.06Å; N696-G700 PolarHBondContact O-N 3.27Å; N696-A701 HydrophobicContact CB-CB 4.28Å; N696-A701 PolarHBondContact O-N 3.02Å; N696-K702 HydrophobicContact CB-CB 4.37Å; N696-K702 HydrophobicContact CB-CG 4Å; N696-K702 PolarHBondContact O-N 3.02Å
697	L	83.9	Confident	84.4	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-46.8	173.7	-166.7	79.8	0	0	0	111.1	P653 A693 L694 S695 A699 G700 L705 I717	P653-L697 HydrophobicContact CB-CD1 3.7Å; P653-L697 HydrophobicContact CB-CD2 4.1Å; P653-L697 HydrophobicContact CB-CG 3.72Å; A693-L697 WeakPolarHBondContact O-CB 3.48Å; A693-L697 PolarHBondContact O-N 2.9Å; A693-L697 VanDerWaalsContact O-N 3.12Å; L694-L697 PolarHBondContact O-N 3.32Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 2.91Å; L697-A699 VanDerWaalsContact C-N 3.3Å; L697-A699 PolarHBondContact O-N 3.12Å; L697-G700 PolarHBondContact O-N 2.93Å; L697-L705 HydrophobicContact CD1-CB 4.17Å; L697-L705 HydrophobicContact CD2-CB 4.1Å; L697-L705 HydrophobicContact CD2-CD2 4.16Å; L697-I717 HydrophobicContact CD2-CD1 3.6Å; L697-I717 HydrophobicContact CD2-CG1 4.28Å; L697-I717 HydrophobicContact CD2-CG2 4.24Å
698	K	80.1	Confident	85.4	Confident	139 Å²	139	53.6 Å²	53.6	60%	0.604	29%	0.293	S	S	*	.	H	α-helix	trans	-66.1	-30.2	177.2	-73.3	-175	177.7	-175.1	0	112.8	L694 S695 G700 D716	L694-K698 WeakPolarHBondContact O-CB 3.39Å; L694-K698 WeakPolarHBondContact O-CG 2.99Å; L694-K698 PolarHBondContact O-N 3.39Å; S695-K698 PolarHBondContact O-N 3.43Å; K698-G700 VanDerWaalsContact C-N 3.32Å; K698-D716 VanDerWaalsContact CE-O 3.29Å; K698-D716 WeakPolarHBondContact CE-O 3.25Å; K698-D716 PolarHBondContact NZ-O 3.28Å
699	A	81.9	Confident	85.6	Confident	77 Å²	77	46.9 Å²	46.9	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4	175.5	0	0	0	0	0	114.2	S695 L697 A701	S695-A699 VanDerWaalsContact O-CB 3.25Å; S695-A699 WeakPolarHBondContact O-CB 3.3Å; S695-A699 PolarHBondContact O-N 2.87Å; L697-A699 VanDerWaalsContact C-N 3.3Å; L697-A699 PolarHBondContact O-N 3.12Å; A699-A701 PolarHBondContact O-N 2.91Å
700	G	81.3	Confident	84.9	Confident	53 Å²	53	46.4 Å²	46.4	55%	0.546	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	15.9	-176.8	0	0	0	0	0	114.8	N696 L697 K698 K702	N696-G700 PolarHBondContact O-N 3.27Å; L697-G700 PolarHBondContact O-N 2.93Å; K698-G700 VanDerWaalsContact C-N 3.32Å; G700-K702 VanDerWaalsContact C-N 3.33Å
701	A	87.6	Confident	84	Confident	53 Å²	53	44.7 Å²	44.7	44%	0.438	26%	0.262	S	S	.	.	S	Bend	trans	-80.6	-17.5	174.5	0	0	0	0	0	112.6	N696 A699	N696-A701 HydrophobicContact CB-CB 4.28Å; N696-A701 PolarHBondContact O-N 3.02Å; A699-A701 PolarHBondContact O-N 2.91Å
702	K	89.3	Confident	82.8	Confident	46 Å²	46	40.4 Å²	40.4	20%	0.2	24%	0.244	C	C	.	.			trans	-133.7	137.3	176	-72.1	-79.1	-166.7	173	0	108.3	E672 N677 A678 C679 N696 G700	E672-K702 IonicContact OE1-NZ 3.52Å; E672-K702 PolarHBondContact OE1-NZ 3.17Å; N677-K702 HydrophobicContact CB-CD 4.02Å; N677-K702 WeakPolarHBondContact O-CD 3.37Å; A678-K702 WeakPolarHBondContact O-CD 3.38Å; A678-K702 WeakPolarHBondContact O-CE 3.43Å; A678-K702 PolarHBondContact O-NZ 2.8Å; C679-K702 VanDerWaalsContact SG-CG 3.53Å; N696-K702 HydrophobicContact CB-CB 4.37Å; N696-K702 HydrophobicContact CB-CG 4Å; N696-K702 PolarHBondContact O-N 3.02Å; G700-K702 VanDerWaalsContact C-N 3.33Å
703	D	90.3	Very high	81.8	Confident	34 Å²	34	36.4 Å²	36.4	18%	0.182	23%	0.225	C	C	.	.			trans	-101.3	-28.9	-169.3	-58.7	-51.7	0	0	0	112.6	F650 P652 I654 N677	F650-D703 HydrophobicContact CE2-CB 3.99Å; F650-D703 HydrophobicContact CZ-CB 4.17Å; P652-D703 HydrophobicContact CB-CB 4.06Å; I654-D703 PolarHBondContact N-O 2.91Å; I654-D703 VanDerWaalsContact N-O 3.09Å; N677-D703 HydrophobicContact CB-CB 4.42Å; N677-D703 VanDerWaalsContact CB-OD2 3.31Å; N677-D703 WeakPolarHBondContact CB-OD2 3.46Å; N677-D703 PolarHBondContact ND2-OD2 2.81Å; N677-D703 PolarHBondContact O-N 2.87Å
704	I	92.9	Very high	80.2	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.4	-171.7	-52.2	-174.6	0	0	0	110	L646 F650 I654 I656 L671 Y676 N677 A678 C679 V706	L646-I704 HydrophobicContact CD1-CD1 3.99Å; L646-I704 HydrophobicContact CD2-CD1 4Å; F650-I704 HydrophobicContact CE1-CD1 4.24Å; F650-I704 HydrophobicContact CE2-CG1 4.05Å; F650-I704 HydrophobicContact CZ-CD1 3.78Å; F650-I704 HydrophobicContact CZ-CG1 3.66Å; I654-I704 HydrophobicContact CD1-CD1 4.24Å; I654-I704 HydrophobicContact CD1-CG1 3.99Å; I654-I704 HydrophobicContact CD1-CG2 4.36Å; I654-I704 HydrophobicContact CG1-CB 4.26Å; I654-I704 HydrophobicContact CG1-CG1 3.9Å; I654-I704 HydrophobicContact CG1-CG2 4.16Å; I656-I704 HydrophobicContact CD1-CG2 3.45Å; I656-I704 VanDerWaalsContact CD1-CG2 3.45Å; I656-I704 HydrophobicContact CG1-CG2 3.85Å; L671-I704 HydrophobicContact CD1-CD1 4.47Å; L671-I704 HydrophobicContact CD1-CG2 4.19Å; Y676-I704 HydrophobicContact CD1-CD1 4.03Å; Y676-I704 HydrophobicContact CG-CD1 4.02Å; N677-I704 PolarHBondContact O-N 3.38Å; A678-I704 CarbonylContact C-O 3.56Å; A678-I704 VanDerWaalsContact CA-O 3.29Å; A678-I704 WeakPolarHBondContact CA-O 3.47Å; A678-I704 HydrophobicContact CB-CB 4.36Å; C679-I704 PolarHBondContact N-O 3.47Å; I704-V706 HydrophobicContact CG2-CG2 4.39Å
705	L	92	Very high	79.2	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.8	168.4	-177.4	64.8	0	0	0	110.4	I654 I655 I656 C679 L681 L697 A707 I717	I654-L705 PolarHBondContact O-N 3.12Å; I655-L705 CarbonylContact C-O 3.57Å; I655-L705 WeakPolarHBondContact CA-O 3.5Å; I655-L705 HydrophobicContact CD1-CD2 4.32Å; I655-L705 HydrophobicContact CG1-CB 4.28Å; I655-L705 HydrophobicContact CG1-CD2 4.31Å; I656-L705 PolarHBondContact N-O 3.33Å; C679-L705 HydrophobicContact CB-CD1 4.01Å; L681-L705 HydrophobicContact CB-CD1 3.73Å; L681-L705 HydrophobicContact CB-CG 4.48Å; L697-L705 HydrophobicContact CD1-CB 4.17Å; L697-L705 HydrophobicContact CD2-CB 4.1Å; L697-L705 HydrophobicContact CD2-CD2 4.16Å; L705-A707 HydrophobicContact CG-CB 4.47Å; L705-I717 HydrophobicContact CD2-CD1 3.42Å; L705-I717 VanDerWaalsContact CD2-CD1 3.42Å
706	V	93.3	Very high	78	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.1	168.7	-169.8	0	0	0	0	108.7	I656 V658 C664 L667 A668 L671 C679 T680 L681 I704	I656-V706 HydrophobicContact CB-CG2 4.47Å; I656-V706 CarbonylContact O-C 3.48Å; I656-V706 WeakPolarHBondContact O-CA 3.26Å; V658-V706 HydrophobicContact CG2-CG1 4.18Å; C664-V706 HydrophobicContact CB-CG1 4.34Å; C664-V706 PolarHBondContact SG-O 3.42Å; L667-V706 HydrophobicContact CB-CG1 4.4Å; L667-V706 HydrophobicContact CD2-CG1 4.15Å; A668-V706 HydrophobicContact CB-CB 4.31Å; A668-V706 HydrophobicContact CB-CG2 3.92Å; L671-V706 HydrophobicContact CD1-CG2 3.92Å; C679-V706 PolarHBondContact O-N 2.84Å; T680-V706 WeakPolarHBondContact CA-O 3.46Å; L681-V706 PolarHBondContact N-O 2.82Å; I704-V706 HydrophobicContact CG2-CG2 4.39Å
707	A	91.7	Very high	77	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.8	-172.2	0	0	0	0	0	115.2	I655 I656 F657 V658 L681 L705	I655-A707 HydrophobicContact CG2-CB 4.44Å; I656-A707 PolarHBondContact O-N 3.27Å; F657-A707 WeakPolarHBondContact CA-O 3.48Å; F657-A707 HydrophobicContact CD1-CB 4.3Å; F657-A707 HydrophobicContact CE1-CB 4.17Å; V658-A707 PolarHBondContact N-O 2.93Å; L681-A707 HydrophobicContact CB-CB 4.49Å; L681-A707 HydrophobicContact CD2-CB 4.25Å; L681-A707 VanDerWaalsContact O-CA 3.23Å; L681-A707 WeakPolarHBondContact O-CA 3.07Å; L705-A707 HydrophobicContact CG-CB 4.47Å
708	T	91	Very high	75.6	Confident	5 Å²	5	41 Å²	41	3%	0.031	24%	0.244	C	C	.	.			trans	-111.2	151.9	170.6	59.2	0	0	0	0	111.1	V658 C664 L681 H682 V710 A711 G712	V658-T708 HydrophobicContact CG2-CG2 4.26Å; V658-T708 WeakPolarHBondContact O-CA 3.36Å; C664-T708 HydrophobicContact CB-CG2 4.28Å; L681-T708 PolarHBondContact O-N 3.2Å; H682-T708 WeakPolarHBondContact CA-OG1 3.36Å; H682-T708 HydrophobicContact CB-CG2 3.99Å; T708-V710 VanDerWaalsContact C-N 3.33Å; T708-V710 PolarHBondContact O-N 3.28Å; T708-V710 VanDerWaalsContact O-N 3.17Å; T708-A711 PolarHBondContact O-N 3.29Å; T708-G712 PolarHBondContact O-N 2.6Å
709	D	80.7	Confident	74.8	Confident	22 Å²	22	38.1 Å²	38.1	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-47	-48.8	-176.2	-60.7	-74.8	0	0	0	114.9	A711 G712 R713 R738	D709-A711 PolarHBondContact O-N 2.93Å; D709-A711 VanDerWaalsContact O-N 3.12Å; D709-G712 PolarHBondContact O-N 2.76Å; D709-R713 WeakPolarHBondContact O-CB 3.31Å; D709-R713 WeakPolarHBondContact O-CG 3.49Å; D709-R713 PolarHBondContact O-N 3.07Å; D709-R738 VanDerWaalsContact CG-NH2 3.29Å; D709-R738 IonicContact OD1-CZ 2.68Å; D709-R738 VanDerWaalsContact OD1-CZ 3.29Å; D709-R738 IonicContact OD1-NE 2.78Å; D709-R738 PolarHBondContact OD1-NE 3.37Å; D709-R738 IonicContact OD1-NH2 2.81Å; D709-R738 PolarHBondContact OD1-NH2 3.45Å; D709-R738 IonicContact OD2-CZ 3.07Å; D709-R738 IonicContact OD2-NE 3.42Å; D709-R738 IonicContact OD2-NH2 3.32Å; D709-R738 PolarHBondContact OD2-NH2 3.44Å
710	V	67.8	Low	74.7	Confident	102 Å²	102	34.6 Å²	34.6	62%	0.618	21%	0.205	S	C	*	.	H	α-helix	trans	-57.2	-29.6	-178.9	-178.5	0	0	0	0	112.4	T708	T708-V710 VanDerWaalsContact C-N 3.33Å; T708-V710 PolarHBondContact O-N 3.28Å; T708-V710 VanDerWaalsContact O-N 3.17Å
711	A	60.6	Low	74.7	Confident	5 Å²	5	33.3 Å²	33.3	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-102.2	-26.5	-177.9	0	0	0	0	0	112.7	L681 T708 D709 I715	L681-A711 HydrophobicContact CD2-CB 3.46Å; L681-A711 VanDerWaalsContact CD2-CB 3.46Å; L681-A711 WeakPolarHBondContact CD2-O 3.28Å; L681-A711 HydrophobicContact CG-CB 4.3Å; T708-A711 PolarHBondContact O-N 3.29Å; D709-A711 PolarHBondContact O-N 2.93Å; D709-A711 VanDerWaalsContact O-N 3.12Å; A711-I715 WeakPolarHBondContact O-CD1 3.15Å; A711-I715 VanDerWaalsContact O-CG1 3.25Å; A711-I715 WeakPolarHBondContact O-CG1 3.29Å
712	G	56.3	Low	74.7	Confident	9 Å²	9	31.8 Å²	31.8	9%	0.093	17%	0.172	C	C	.	.	H	α-helix	trans	-76.1	-28	174	0	0	0	0	0	114	T708 D709	T708-G712 PolarHBondContact O-N 2.6Å; D709-G712 PolarHBondContact O-N 2.76Å
713	R	62.3	Low	74.9	Confident	58 Å²	58	29.6 Å²	29.6	22%	0.219	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	129.8	171.9	-79.3	172.4	147.7	122.3	158.9	110.8	D709 I715 D734	D709-R713 WeakPolarHBondContact O-CB 3.31Å; D709-R713 WeakPolarHBondContact O-CG 3.49Å; D709-R713 PolarHBondContact O-N 3.07Å; R713-I715 VanDerWaalsContact C-N 3.31Å; R713-D734 IonicContact CZ-OD1 3.9Å; R713-D734 IonicContact CZ-OD2 2.58Å; R713-D734 IonicContact NH1-OD1 2.67Å; R713-D734 PolarHBondContact NH1-OD1 2.95Å; R713-D734 IonicContact NH2-OD1 2.63Å; R713-D734 PolarHBondContact NH2-OD1 3.13Å; R713-D734 IonicContact NH2-OD2 3.45Å; R713-D734 PolarHBondContact NH2-OD2 2.97Å
714	G	49.8	Very low	75.1	Confident	19 Å²	19	28 Å²	28	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-0.9	179.9	0	0	0	0	0	115.3	Q470	Q470-G714 PolarHBondContact NE2-O 2.8Å
715	I	62.3	Low	75.2	Confident	26 Å²	26	28 Å²	28	13%	0.133	15%	0.154	C	C	.	.			trans	-86.6	127	174.4	-75	-171.6	0	0	0	111.5	L681 L694 A711 R713 I717 R741	L681-I715 HydrophobicContact CD1-CD1 3.51Å; L681-I715 HydrophobicContact CD2-CD1 3.41Å; L681-I715 VanDerWaalsContact CD2-CD1 3.41Å; L681-I715 HydrophobicContact CG-CD1 4.01Å; L694-I715 HydrophobicContact CD1-CD1 4.26Å; L694-I715 HydrophobicContact CD1-CG2 4.06Å; L694-I715 HydrophobicContact CD2-CD1 4.3Å; L694-I715 HydrophobicContact CD2-CG2 3.61Å; A711-I715 WeakPolarHBondContact O-CD1 3.15Å; A711-I715 VanDerWaalsContact O-CG1 3.25Å; A711-I715 WeakPolarHBondContact O-CG1 3.29Å; R713-I715 VanDerWaalsContact C-N 3.31Å; I715-I717 VanDerWaalsContact C-N 3.26Å; I715-I717 HydrophobicContact CG2-CB 4.4Å; I715-I717 HydrophobicContact CG2-CD1 3.76Å; I715-I717 HydrophobicContact CG2-CG1 3.69Å; I715-I717 PolarHBondContact O-N 2.81Å; I715-R741 PolarHBondContact O-NH1 3.02Å
716	D	57.6	Low	75.4	Confident	90 Å²	90	29.1 Å²	29.1	48%	0.481	16%	0.158	S	C	.	.			trans	-81.7	67.3	176.6	-167.8	52.8	0	0	0	112.2	K698 Q718	K698-D716 VanDerWaalsContact CE-O 3.29Å; K698-D716 WeakPolarHBondContact CE-O 3.25Å; K698-D716 PolarHBondContact NZ-O 3.28Å; D716-Q718 WeakPolarHBondContact OD1-CG 3.43Å; D716-Q718 PolarHBondContact OD1-NE2 3.33Å
717	I	64.8	Low	75.4	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.046	17%	0.165	C	C	.	.			trans	-106.3	107.2	157.6	-60	162	0	0	0	106.2	L694 L697 L705 I715 V720	L694-I717 HydrophobicContact CD2-CD1 3.29Å; L694-I717 HydrophobicContact CD2-CG1 3.69Å; L697-I717 HydrophobicContact CD2-CD1 3.6Å; L697-I717 HydrophobicContact CD2-CG1 4.28Å; L697-I717 HydrophobicContact CD2-CG2 4.24Å; L705-I717 HydrophobicContact CD2-CD1 3.42Å; L705-I717 VanDerWaalsContact CD2-CD1 3.42Å; I715-I717 VanDerWaalsContact C-N 3.26Å; I715-I717 HydrophobicContact CG2-CB 4.4Å; I715-I717 HydrophobicContact CG2-CD1 3.76Å; I715-I717 HydrophobicContact CG2-CG1 3.69Å; I715-I717 PolarHBondContact O-N 2.81Å; I717-V720 HydrophobicContact CG2-CG2 3.72Å
718	Q	55.1	Low	75.5	Confident	110 Å²	110	30.3 Å²	30.3	51%	0.514	16%	0.164	S	C	.	.			trans	-98.4	156.4	174.5	-54.3	-173.8	9.7	0	0	109.3	D716 V720	D716-Q718 WeakPolarHBondContact OD1-CG 3.43Å; D716-Q718 PolarHBondContact OD1-NE2 3.33Å; Q718-V720 PolarHBondContact O-N 3.3Å
719	D	63.2	Low	75.6	Confident	79 Å²	79	30 Å²	30	42%	0.422	16%	0.163	S	C	.	.			trans	57	45	172.5	-58.7	-36.9	0	0	0	117.3	A745	D719-A745 WeakPolarHBondContact OD1-CB 3.41Å; D719-A745 PolarHBondContact OD1-N 2.94Å; D719-A745 VanDerWaalsContact OD1-N 3.16Å; D719-A745 WeakPolarHBondContact OD2-CB 3.45Å
720	V	78.4	Confident	76	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-64.1	137.2	163.2	-173.3	0	0	0	0	109.5	P653 I655 I717 Q718 M722 R741 T742	P653-V720 VanDerWaalsContact O-CG1 3.26Å; P653-V720 WeakPolarHBondContact O-CG1 3.43Å; I655-V720 HydrophobicContact CB-CG1 4.43Å; I655-V720 HydrophobicContact CD1-CG2 3.67Å; I655-V720 HydrophobicContact CG1-CG1 3.94Å; I655-V720 HydrophobicContact CG1-CG2 3.91Å; I717-V720 HydrophobicContact CG2-CG2 3.72Å; Q718-V720 PolarHBondContact O-N 3.3Å; V720-M722 VanDerWaalsContact CG1-O 3.28Å; V720-M722 WeakPolarHBondContact CG1-O 3.34Å; V720-R741 WeakPolarHBondContact CB-O 3.45Å; V720-R741 HydrophobicContact CG2-CB 4.49Å; V720-R741 WeakPolarHBondContact CG2-O 3.48Å; V720-R741 PolarHBondContact N-O 2.78Å; V720-T742 WeakPolarHBondContact O-CB 3.38Å; V720-T742 PolarHBondContact O-OG1 2.85Å
721	S	82.6	Confident	77	Confident	26 Å²	26	33.1 Å²	33.1	18%	0.182	17%	0.17	C	C	.	.	S	Bend	trans	-71.9	-39.5	-179.9	72.2	0	0	0	0	113	E651 P653 T742 V750	E651-S721 WeakPolarHBondContact O-CB 3.45Å; E651-S721 PolarHBondContact O-OG 3.38Å; P653-S721 PolarHBondContact O-N 3.31Å; S721-T742 PolarHBondContact O-OG1 3.19Å; S721-V750 PolarHBondContact O-N 3.18Å
722	M	88	Confident	78.3	Confident	21 Å²	21	34.5 Å²	34.5	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.2	-174.2	179.4	175.4	55.3	0	0	111.5	V645 F650 I654 I655 V720 I724 V750 M752	V645-M722 HydrophobicContact CG1-CE 4.35Å; F650-M722 HydrophobicContact CB-CE 3.8Å; I654-M722 WeakPolarHBondContact CA-O 3.4Å; I654-M722 WeakPolarHBondContact CB-O 3.3Å; I654-M722 HydrophobicContact CD1-CE 4.15Å; I654-M722 HydrophobicContact CG2-CB 3.92Å; I654-M722 HydrophobicContact CG2-CE 4.09Å; I655-M722 PolarHBondContact N-O 2.78Å; V720-M722 VanDerWaalsContact CG1-O 3.28Å; V720-M722 WeakPolarHBondContact CG1-O 3.34Å; M722-I724 HydrophobicContact CE-CD1 3.97Å; M722-I724 HydrophobicContact CE-CG1 4.33Å; M722-I724 HydrophobicContact CG-CG1 4.19Å; M722-I724 HydrophobicContact SD-CD1 4.37Å; M722-I724 HydrophobicContact SD-CG1 4.25Å; M722-V750 CarbonylContact C-O 3.59Å; M722-V750 VanDerWaalsContact CA-O 3.27Å; M722-V750 WeakPolarHBondContact CA-O 3.29Å; M722-V750 HydrophobicContact CG-CB 4.37Å; M722-M752 HydrophobicContact SD-CE 3.9Å
723	V	91.9	Very high	79.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.7	171.7	176.6	0	0	0	0	108.8	I655 F657 R741 T742 V750 A751 M752	I655-V723 CarbonylContact O-C 3.59Å; I655-V723 WeakPolarHBondContact O-CA 3.49Å; F657-V723 HydrophobicContact CD2-CG1 3.71Å; F657-V723 HydrophobicContact CE2-CG1 3.86Å; V723-R741 HydrophobicContact CG2-CB 4.16Å; V723-T742 HydrophobicContact CB-CG2 4.46Å; V723-T742 HydrophobicContact CG2-CG2 3.87Å; V723-V750 PolarHBondContact N-O 3.46Å; V723-A751 CarbonylContact O-C 3.49Å; V723-A751 WeakPolarHBondContact O-CA 3.29Å; V723-M752 PolarHBondContact O-N 2.72Å
724	I	94.6	Very high	80.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109.8	174.6	-54.1	178.1	0	0	0	109.1	L642 V645 L646 I654 I655 I656 F657 M722 Y726 M752 F754	L642-I724 HydrophobicContact CD1-CD1 3.76Å; L642-I724 HydrophobicContact CD1-CG2 4.09Å; V645-I724 HydrophobicContact CG1-CD1 3.88Å; L646-I724 HydrophobicContact CD2-CD1 4.44Å; I654-I724 HydrophobicContact CD1-CD1 4.49Å; I655-I724 PolarHBondContact O-N 2.93Å; I656-I724 CarbonylContact C-O 3.5Å; I656-I724 VanDerWaalsContact CA-O 3.28Å; I656-I724 WeakPolarHBondContact CA-O 3.47Å; I656-I724 HydrophobicContact CG1-CB 4.28Å; I656-I724 HydrophobicContact CG1-CD1 4.45Å; I656-I724 HydrophobicContact CG2-CB 4.45Å; F657-I724 PolarHBondContact N-O 3.32Å; M722-I724 HydrophobicContact CE-CD1 3.97Å; M722-I724 HydrophobicContact CE-CG1 4.33Å; M722-I724 HydrophobicContact CG-CG1 4.19Å; M722-I724 HydrophobicContact SD-CD1 4.37Å; M722-I724 HydrophobicContact SD-CG1 4.25Å; I724-Y726 PolarHBondContact O-N 2.8Å; I724-Y726 VanDerWaalsContact O-N 3.13Å; I724-M752 CarbonylContact C-O 3.51Å; I724-M752 VanDerWaalsContact CA-O 3.31Å; I724-M752 WeakPolarHBondContact CA-O 3.42Å; I724-F754 HydrophobicContact CG2-CE2 4.45Å; I724-F754 HydrophobicContact CG2-CZ 4.21Å
725	N	95.4	Very high	82.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	91.4	165.5	-63.3	-54.9	0	0	0	108.2	D727 Y735 R738 M752 T753 F754	N725-D727 VanDerWaalsContact C-N 3.33Å; N725-Y735 VanDerWaalsContact ND2-CE2 3.33Å; N725-Y735 WeakPolarHBondContact ND2-CE2 3.28Å; N725-R738 WeakPolarHBondContact OD1-CD 3.38Å; N725-R738 PolarHBondContact OD1-NH1 2.73Å; N725-R738 VanDerWaalsContact OD1-NH1 3.16Å; N725-M752 PolarHBondContact N-O 3.03Å; N725-T753 HydrophobicContact CB-CG2 3.85Å; N725-T753 PolarHBondContact ND2-OG1 2.77Å; N725-F754 PolarHBondContact O-N 2.82Å
726	Y	95.8	Very high	83.6	Confident	28 Å²	28	36.1 Å²	36.1	11%	0.11	18%	0.179	C	C	.	.	S	Bend	trans	-67.6	-39.4	175.1	-178.4	-82.2	0	0	0	110.5	K638 R639 L642 F657 V658 L667 I724 F754	K638-Y726 HydrophobicContact CB-CD2 4.41Å; K638-Y726 HydrophobicContact CB-CE1 4.07Å; K638-Y726 HydrophobicContact CB-CE2 3.71Å; K638-Y726 VanDerWaalsContact CB-CZ 3.49Å; K638-Y726 WeakPolarHBondContact CB-OH 3.16Å; K638-Y726 HydrophobicContact CD-CD1 4.15Å; K638-Y726 HydrophobicContact CD-CE1 3.77Å; K638-Y726 VanDerWaalsContact CD-O 3.28Å; K638-Y726 WeakPolarHBondContact CD-O 3.43Å; K638-Y726 WeakPolarHBondContact CE-O 3.39Å; K638-Y726 PolarHBondContact NZ-O 3.32Å; R639-Y726 PolarHBondContact N-OH 2.79Å; L642-Y726 HydrophobicContact CB-CD2 4.3Å; L642-Y726 HydrophobicContact CB-CE2 4.27Å; L642-Y726 HydrophobicContact CD2-CD2 3.91Å; L642-Y726 HydrophobicContact CD2-CE2 4.08Å; F657-Y726 WeakPolarHBondContact O-CB 3.04Å; F657-Y726 PolarHBondContact O-N 3.23Å; V658-Y726 HydrophobicContact CG1-CD1 3.94Å; V658-Y726 HydrophobicContact CG1-CG 4.21Å; L667-Y726 HydrophobicContact CD1-CD2 4.48Å; L667-Y726 HydrophobicContact CD1-CE2 4.11Å; L667-Y726 HydrophobicContact CD2-CD1 4.3Å; L667-Y726 HydrophobicContact CD2-CD2 3.97Å; L667-Y726 HydrophobicContact CD2-CE2 4.35Å; L667-Y726 HydrophobicContact CD2-CG 3.94Å; I724-Y726 PolarHBondContact O-N 2.8Å; I724-Y726 VanDerWaalsContact O-N 3.13Å; Y726-F754 HydrophobicContact CD2-CD2 4.09Å; Y726-F754 AromaticContact CD2-CE2 3.87Å; Y726-F754 HydrophobicContact CD2-CE2 3.87Å; Y726-F754 HydrophobicContact CE2-CE2 4.38Å; Y726-F754 HydrophobicContact CG-CD2 4.43Å
727	D	94.6	Very high	84.6	Confident	25 Å²	25	35.1 Å²	35.1	13%	0.134	17%	0.172	C	C	.	.	S	Bend	trans	-109.7	137.9	161.4	-56.8	-40.6	0	0	0	109.1	K638 F657 V658 N659 N725 R738	K638-D727 IonicContact NZ-OD1 3.9Å; K638-D727 PolarHBondContact NZ-OD1 2.68Å; F657-D727 PolarHBondContact O-N 3.39Å; V658-D727 WeakPolarHBondContact CA-OD2 3.28Å; V658-D727 WeakPolarHBondContact CB-OD2 3.47Å; N659-D727 HydrophobicContact CB-CB 4.16Å; N659-D727 PolarHBondContact N-OD2 2.85Å; N725-D727 VanDerWaalsContact C-N 3.33Å; D727-R738 PolarHBondContact O-NH1 3.28Å
728	M	94	Very high	85.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.			trans	-67.7	145.6	171.1	-179.9	53.8	-169.4	0	0	110.9	N659 Y735 T753 L755 D759 V762 L766	N659-M728 PolarHBondContact ND2-O 2.56Å; N659-M728 PolarHBondContact OD1-O 3.25Å; M728-Y735 HydrophobicContact CE-CD2 3.64Å; M728-Y735 HydrophobicContact CE-CE2 4.37Å; M728-Y735 HydrophobicContact CE-CG 3.81Å; M728-Y735 HydrophobicContact SD-CD2 3.56Å; M728-Y735 VanDerWaalsContact SD-CD2 3.56Å; M728-Y735 HydrophobicContact SD-CE2 4.07Å; M728-Y735 HydrophobicContact SD-CG 4.33Å; M728-T753 HydrophobicContact CB-CG2 4.45Å; M728-T753 HydrophobicContact SD-CG2 3.7Å; M728-L755 HydrophobicContact CB-CD2 3.9Å; M728-L755 HydrophobicContact CG-CD2 3.73Å; M728-L755 HydrophobicContact SD-CD2 4.25Å; M728-D759 HydrophobicContact CB-CB 4.04Å; M728-D759 WeakPolarHBondContact CB-OD2 3.27Å; M728-D759 HydrophobicContact CG-CB 4.21Å; M728-V762 HydrophobicContact CE-CB 4.24Å; M728-V762 HydrophobicContact CE-CG2 3.7Å; M728-V762 HydrophobicContact CG-CG2 3.68Å; M728-L766 HydrophobicContact CE-CB 4.4Å; M728-L766 HydrophobicContact CE-CD1 4.24Å; M728-L766 HydrophobicContact CE-CD2 4Å; M728-L766 HydrophobicContact CE-CG 4.46Å; M728-L766 HydrophobicContact SD-CD2 4.21Å
729	A	92.3	Very high	87.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.			trans	-68	156.2	177.2	0	0	0	0	0	111.7	D734	A729-D734 HydrophobicContact CB-CB 3.66Å
730	K	89.4	Confident	87.8	Confident	131 Å²	131	26 Å²	26	57%	0.57	13%	0.127	S	C	*	.	S	Bend	trans	-83.6	-9.6	-175.4	-66.8	-53.2	-176.9	-167	0	115.4	D759	K730-D759 IonicContact NZ-OD1 3.96Å; K730-D759 PolarHBondContact NZ-OD1 2.98Å
731	N	88.3	Confident	87.8	Confident	57 Å²	57	28.2 Å²	28.2	31%	0.305	14%	0.135	S	C	.	.	S	Bend	trans	-138.5	174.8	166.4	64.7	31.2	0	0	0	108.5	E733 D734	N731-E733 PolarHBondContact OD1-N 3.42Å; N731-D734 PolarHBondContact ND2-OD1 3.43Å; N731-D734 WeakPolarHBondContact OD1-CB 3.3Å; N731-D734 PolarHBondContact OD1-N 3.22Å; N731-D734 PolarHBondContact OD1-OD1 2.81Å
732	I	88	Confident	87.4	Confident	34 Å²	34	27 Å²	27	17%	0.174	13%	0.127	C	C	.	.	H	α-helix	trans	-80.3	-26.1	179.8	-166.3	61.3	0	0	0	113.3	Y735 I736 D765 L766 A769	I732-Y735 HydrophobicContact CD1-CD1 3.78Å; I732-Y735 HydrophobicContact CD1-CG 4.3Å; I732-Y735 WeakPolarHBondContact O-CB 3.47Å; I732-Y735 PolarHBondContact O-N 2.93Å; I732-I736 HydrophobicContact CG1-CD1 4.21Å; I732-I736 WeakPolarHBondContact O-CG1 3.23Å; I732-I736 PolarHBondContact O-N 3.43Å; I732-D765 HydrophobicContact CB-CB 3.95Å; I732-D765 HydrophobicContact CD1-CB 4.4Å; I732-D765 HydrophobicContact CG1-CB 4.05Å; I732-D765 HydrophobicContact CG2-CB 4.22Å; I732-L766 HydrophobicContact CD1-CB 4.29Å; I732-L766 HydrophobicContact CD1-CD1 4.45Å; I732-A769 HydrophobicContact CD1-CB 4.1Å
733	E	82.1	Confident	85.9	Confident	90 Å²	90	26.5 Å²	26.5	42%	0.421	13%	0.127	S	C	.	.	H	α-helix	trans	-68.5	-46.1	-178.7	-66.8	154.2	177.4	0	0	111.2	N731 Y735 I736 H737	N731-E733 PolarHBondContact OD1-N 3.42Å; E733-Y735 VanDerWaalsContact C-N 3.28Å; E733-Y735 PolarHBondContact O-N 3.11Å; E733-I736 PolarHBondContact O-N 3.38Å; E733-H737 VanDerWaalsContact O-CG 3.29Å; E733-H737 PolarHBondContact O-N 3.35Å; E733-H737 PolarHBondContact O-ND1 3.23Å
734	D	85.1	Confident	84.3	Confident	21 Å²	21	31 Å²	31	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-54.8	-45.3	170.5	-72.5	28.6	0	0	0	110.6	R713 A729 N731 H737 R738	R713-D734 IonicContact CZ-OD1 3.9Å; R713-D734 IonicContact CZ-OD2 2.58Å; R713-D734 IonicContact NH1-OD1 2.67Å; R713-D734 PolarHBondContact NH1-OD1 2.95Å; R713-D734 IonicContact NH2-OD1 2.63Å; R713-D734 PolarHBondContact NH2-OD1 3.13Å; R713-D734 IonicContact NH2-OD2 3.45Å; R713-D734 PolarHBondContact NH2-OD2 2.97Å; A729-D734 HydrophobicContact CB-CB 3.66Å; N731-D734 PolarHBondContact ND2-OD1 3.43Å; N731-D734 WeakPolarHBondContact OD1-CB 3.3Å; N731-D734 PolarHBondContact OD1-N 3.22Å; N731-D734 PolarHBondContact OD1-OD1 2.81Å; D734-H737 PolarHBondContact O-N 2.93Å; D734-R738 VanDerWaalsContact O-CG 3.3Å; D734-R738 WeakPolarHBondContact O-CG 3.35Å; D734-R738 PolarHBondContact O-N 2.91Å
735	Y	89.1	Confident	81.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-47.9	176.5	173.9	-96.2	0	0	0	112	Q628 N725 M728 I732 E733 H737 R738 I739 T753 L766	Q628-Y735 PolarHBondContact OE1-OH 3.49Å; N725-Y735 VanDerWaalsContact ND2-CE2 3.33Å; N725-Y735 WeakPolarHBondContact ND2-CE2 3.28Å; M728-Y735 HydrophobicContact CE-CD2 3.64Å; M728-Y735 HydrophobicContact CE-CE2 4.37Å; M728-Y735 HydrophobicContact CE-CG 3.81Å; M728-Y735 HydrophobicContact SD-CD2 3.56Å; M728-Y735 VanDerWaalsContact SD-CD2 3.56Å; M728-Y735 HydrophobicContact SD-CE2 4.07Å; M728-Y735 HydrophobicContact SD-CG 4.33Å; I732-Y735 HydrophobicContact CD1-CD1 3.78Å; I732-Y735 HydrophobicContact CD1-CG 4.3Å; I732-Y735 WeakPolarHBondContact O-CB 3.47Å; I732-Y735 PolarHBondContact O-N 2.93Å; E733-Y735 VanDerWaalsContact C-N 3.28Å; E733-Y735 PolarHBondContact O-N 3.11Å; Y735-H737 VanDerWaalsContact C-N 3.31Å; Y735-H737 PolarHBondContact O-N 2.74Å; Y735-R738 WeakPolarHBondContact O-CB 3.3Å; Y735-R738 PolarHBondContact O-N 2.75Å; Y735-R738 VanDerWaalsContact O-N 3.14Å; Y735-I739 HydrophobicContact CD1-CD1 4.32Å; Y735-I739 HydrophobicContact CD2-CG2 4.35Å; Y735-I739 HydrophobicContact CE1-CD1 3.75Å; Y735-I739 HydrophobicContact CE1-CG2 4.12Å; Y735-I739 HydrophobicContact CE2-CG2 3.92Å; Y735-I739 PolarHBondContact O-N 3.49Å; Y735-T753 HydrophobicContact CE2-CG2 4.18Å; Y735-T753 WeakPolarHBondContact CE2-OG1 3.26Å; Y735-L766 HydrophobicContact CD1-CD1 4.01Å; Y735-L766 HydrophobicContact CD2-CD1 4.34Å; Y735-L766 HydrophobicContact CE1-CD1 3.47Å; Y735-L766 VanDerWaalsContact CE1-CD1 3.47Å; Y735-L766 HydrophobicContact CE2-CD1 3.83Å; Y735-L766 HydrophobicContact CG-CD1 4.41Å
736	I	84.4	Confident	79.6	Confident	35 Å²	35	38.1 Å²	38.1	18%	0.179	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-42.8	176.3	-69.1	166.6	0	0	0	110.7	P622 I732 E733 R738 I739 G740	P622-I736 HydrophobicContact CB-CG2 4.16Å; P622-I736 HydrophobicContact CG-CG2 3.79Å; I732-I736 HydrophobicContact CG1-CD1 4.21Å; I732-I736 WeakPolarHBondContact O-CG1 3.23Å; I732-I736 PolarHBondContact O-N 3.43Å; E733-I736 PolarHBondContact O-N 3.38Å; I736-R738 VanDerWaalsContact C-N 3.35Å; I736-R738 PolarHBondContact O-N 2.87Å; I736-I739 WeakPolarHBondContact O-CG1 3.41Å; I736-G740 PolarHBondContact O-N 2.8Å
737	H	80.1	Confident	77.7	Confident	70 Å²	70	42.9 Å²	42.9	32%	0.324	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-31.9	176.1	-68.6	127.1	0	0	0	114.1	E733 D734 Y735 R741	E733-H737 VanDerWaalsContact O-CG 3.29Å; E733-H737 PolarHBondContact O-N 3.35Å; E733-H737 PolarHBondContact O-ND1 3.23Å; D734-H737 PolarHBondContact O-N 2.93Å; Y735-H737 VanDerWaalsContact C-N 3.31Å; Y735-H737 PolarHBondContact O-N 2.74Å; H737-R741 PolarHBondContact O-NE 3.4Å
738	R	86.1	Confident	75.9	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-71.9	-52	174.9	-71.3	179.6	-172.8	-172.9	2.2	111.5	F657 N659 D709 N725 D727 D734 Y735 I736 G740 R741	F657-R738 HydrophobicContact CB-CG 4.47Å; F657-R738 HydrophobicContact CD1-CG 3.97Å; F657-R738 HydrophobicContact CD2-CB 3.74Å; F657-R738 HydrophobicContact CD2-CG 3.65Å; F657-R738 HydrophobicContact CE1-CG 4.05Å; F657-R738 HydrophobicContact CE2-CB 3.66Å; F657-R738 HydrophobicContact CE2-CG 3.73Å; F657-R738 HydrophobicContact CG-CB 4.37Å; F657-R738 HydrophobicContact CG-CG 3.78Å; F657-R738 HydrophobicContact CZ-CB 4.24Å; F657-R738 HydrophobicContact CZ-CG 3.94Å; N659-R738 PolarHBondContact OD1-NH2 3.48Å; D709-R738 VanDerWaalsContact CG-NH2 3.29Å; D709-R738 IonicContact OD1-CZ 2.68Å; D709-R738 VanDerWaalsContact OD1-CZ 3.29Å; D709-R738 IonicContact OD1-NE 2.78Å; D709-R738 PolarHBondContact OD1-NE 3.37Å; D709-R738 IonicContact OD1-NH2 2.81Å; D709-R738 PolarHBondContact OD1-NH2 3.45Å; D709-R738 IonicContact OD2-CZ 3.07Å; D709-R738 IonicContact OD2-NE 3.42Å; D709-R738 IonicContact OD2-NH2 3.32Å; D709-R738 PolarHBondContact OD2-NH2 3.44Å; N725-R738 WeakPolarHBondContact OD1-CD 3.38Å; N725-R738 PolarHBondContact OD1-NH1 2.73Å; N725-R738 VanDerWaalsContact OD1-NH1 3.16Å; D727-R738 PolarHBondContact O-NH1 3.28Å; D734-R738 VanDerWaalsContact O-CG 3.3Å; D734-R738 WeakPolarHBondContact O-CG 3.35Å; D734-R738 PolarHBondContact O-N 2.91Å; Y735-R738 WeakPolarHBondContact O-CB 3.3Å; Y735-R738 PolarHBondContact O-N 2.75Å; Y735-R738 VanDerWaalsContact O-N 3.14Å; I736-R738 VanDerWaalsContact C-N 3.35Å; I736-R738 PolarHBondContact O-N 2.87Å; R738-G740 PolarHBondContact O-N 3.07Å; R738-R741 WeakPolarHBondContact O-CB 3.34Å; R738-R741 VanDerWaalsContact O-CG 3.3Å; R738-R741 WeakPolarHBondContact O-CG 3.17Å; R738-R741 PolarHBondContact O-N 2.89Å; R738-R741 VanDerWaalsContact O-N 3.11Å
739	I	86.3	Confident	74.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-28.6	-179.9	71.6	173.5	0	0	0	111.3	P622 H623 V626 Q628 Y735 I736 R741 T742 A751	P622-I739 HydrophobicContact CB-CD1 4.4Å; P622-I739 HydrophobicContact CB-CG1 3.97Å; H623-I739 HydrophobicContact CB-CD1 3.98Å; V626-I739 HydrophobicContact CG1-CB 4.29Å; Q628-I739 HydrophobicContact CG-CD1 4.17Å; Y735-I739 HydrophobicContact CD1-CD1 4.32Å; Y735-I739 HydrophobicContact CD2-CG2 4.35Å; Y735-I739 HydrophobicContact CE1-CD1 3.75Å; Y735-I739 HydrophobicContact CE1-CG2 4.12Å; Y735-I739 HydrophobicContact CE2-CG2 3.92Å; Y735-I739 PolarHBondContact O-N 3.49Å; I736-I739 WeakPolarHBondContact O-CG1 3.41Å; I739-R741 PolarHBondContact O-N 3.16Å; I739-T742 WeakPolarHBondContact O-CG2 3.18Å; I739-T742 PolarHBondContact O-N 3.49Å; I739-A751 HydrophobicContact CB-CB 3.82Å; I739-A751 HydrophobicContact CG2-CB 3.42Å; I739-A751 VanDerWaalsContact CG2-CB 3.42Å
740	G	77.9	Confident	74.5	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-0.2	171.2	0	0	0	0	0	115.7	I736 R738 T742 R744	I736-G740 PolarHBondContact O-N 2.8Å; R738-G740 PolarHBondContact O-N 3.07Å; G740-T742 VanDerWaalsContact C-N 3.31Å; G740-R744 PolarHBondContact O-NE 2.97Å
741	R	78.3	Confident	74.6	Confident	47 Å²	47	40.5 Å²	40.5	18%	0.177	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.4	167.6	-57.8	-68	145.6	-174.7	-8.8	113.1	I655 F657 I715 V720 V723 H737 R738 I739	I655-R741 HydrophobicContact CD1-CB 4.26Å; I655-R741 HydrophobicContact CD1-CG 4.48Å; F657-R741 HydrophobicContact CE2-CG 4.44Å; F657-R741 HydrophobicContact CZ-CG 4.29Å; I715-R741 PolarHBondContact O-NH1 3.02Å; V720-R741 WeakPolarHBondContact CB-O 3.45Å; V720-R741 HydrophobicContact CG2-CB 4.49Å; V720-R741 WeakPolarHBondContact CG2-O 3.48Å; V720-R741 PolarHBondContact N-O 2.78Å; V723-R741 HydrophobicContact CG2-CB 4.16Å; H737-R741 PolarHBondContact O-NE 3.4Å; R738-R741 WeakPolarHBondContact O-CB 3.34Å; R738-R741 VanDerWaalsContact O-CG 3.3Å; R738-R741 WeakPolarHBondContact O-CG 3.17Å; R738-R741 PolarHBondContact O-N 2.89Å; R738-R741 VanDerWaalsContact O-N 3.11Å; I739-R741 PolarHBondContact O-N 3.16Å
742	T	73.4	Confident	74.8	Confident	2 Å²	2	39 Å²	39	1%	0.012	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-115.8	165.5	171.5	-171.4	0	0	0	0	110.9	V626 V720 S721 V723 I739 G740 G749	V626-T742 HydrophobicContact CG1-CG2 3.82Å; V626-T742 HydrophobicContact CG2-CG2 4.17Å; V720-T742 WeakPolarHBondContact O-CB 3.38Å; V720-T742 PolarHBondContact O-OG1 2.85Å; S721-T742 PolarHBondContact O-OG1 3.19Å; V723-T742 HydrophobicContact CB-CG2 4.46Å; V723-T742 HydrophobicContact CG2-CG2 3.87Å; I739-T742 WeakPolarHBondContact O-CG2 3.18Å; I739-T742 PolarHBondContact O-N 3.49Å; G740-T742 VanDerWaalsContact C-N 3.31Å; T742-G749 WeakPolarHBondContact OG1-CA 3.31Å
743	G	57.4	Low	75.2	Confident	9 Å²	9	37.4 Å²	37.4	9%	0.093	22%	0.216	C	C	.	.			trans	74.3	29.7	172.8	0	0	0	0	0	117.1	K747	G743-K747 WeakPolarHBondContact CA-O 3.49Å
744	R	57.2	Low	75.9	Confident	94 Å²	94	33.1 Å²	33.1	36%	0.355	20%	0.196	S	C	.	.			trans	-100.1	-14.2	-176.9	-71.8	-167.4	176.9	-103.7	-7.7	116.4	E423 G740	E423-R744 IonicContact OE1-CZ 3.37Å; E423-R744 IonicContact OE1-NH1 3.65Å; E423-R744 IonicContact OE1-NH2 2.74Å; E423-R744 PolarHBondContact OE1-NH2 2.93Å; E423-R744 IonicContact OE2-CZ 3.83Å; E423-R744 VanDerWaalsContact OE2-CZ 3.28Å; E423-R744 IonicContact OE2-NH1 2.72Å; E423-R744 PolarHBondContact OE2-NH1 2.94Å; E423-R744 IonicContact OE2-NH2 3.27Å; E423-R744 PolarHBondContact OE2-NH2 3.08Å; G740-R744 PolarHBondContact O-NE 2.97Å
745	A	42.2	Very low	76.3	Confident	69 Å²	69	32.2 Å²	32.2	57%	0.57	19%	0.191	S	C	*	.	S	Bend	trans	-115.6	37.8	176.2	0	0	0	0	0	115	D719 K747	D719-A745 WeakPolarHBondContact OD1-CB 3.41Å; D719-A745 PolarHBondContact OD1-N 2.94Å; D719-A745 VanDerWaalsContact OD1-N 3.16Å; D719-A745 WeakPolarHBondContact OD2-CB 3.45Å; A745-K747 PolarHBondContact O-N 3.11Å
746	G	49.2	Very low	76.6	Confident	82 Å²	82	32.4 Å²	32.4	85%	0.845	19%	0.192	S	C	*	.	S	Bend	trans	78.5	-9	175.2	0	0	0	0	0	116.2
747	K	55.5	Low	76.9	Confident	128 Å²	128	38.7 Å²	38.7	56%	0.557	22%	0.218	S	C	*	.	S	Bend	trans	-69.6	135.9	160.3	-71.5	-173	172.4	-171.6	0	109.2	E651 G743 A745 G749	E651-K747 VanDerWaalsContact CD-NZ 3.27Å; E651-K747 IonicContact OE1-NZ 3.92Å; E651-K747 PolarHBondContact OE1-NZ 2.79Å; E651-K747 IonicContact OE2-NZ 3.21Å; E651-K747 PolarHBondContact OE2-NZ 3.25Å; G743-K747 WeakPolarHBondContact CA-O 3.49Å; A745-K747 PolarHBondContact O-N 3.11Å; K747-G749 PolarHBondContact O-N 3.14Å; K747-G749 VanDerWaalsContact O-N 3.17Å
748	S	57.1	Low	77.4	Confident	72 Å²	72	40.2 Å²	40.2	50%	0.503	23%	0.226	S	C	.	.			trans	-70.7	107.7	166.3	-171.5	0	0	0	0	108.6
749	G	71.3	Confident	77.7	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	23%	0.227	C	C	.	.			trans	-72.8	150.2	177.1	0	0	0	0	0	111.8	V626 E627 T742 K747	V626-G749 WeakPolarHBondContact CG1-O 3.45Å; E627-G749 PolarHBondContact N-O 3.06Å; T742-G749 WeakPolarHBondContact OG1-CA 3.31Å; K747-G749 PolarHBondContact O-N 3.14Å; K747-G749 VanDerWaalsContact O-N 3.17Å
750	V	86.4	Confident	77.9	Confident	32 Å²	32	42.4 Å²	42.4	19%	0.194	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.2	176.6	-173.4	0	0	0	0	110.8	E627 K629 S721 M722 V723 M752	E627-V750 WeakPolarHBondContact OE2-CG2 3.5Å; K629-V750 HydrophobicContact CD-CG1 4.22Å; S721-V750 PolarHBondContact O-N 3.18Å; M722-V750 CarbonylContact C-O 3.59Å; M722-V750 VanDerWaalsContact CA-O 3.27Å; M722-V750 WeakPolarHBondContact CA-O 3.29Å; M722-V750 HydrophobicContact CG-CB 4.37Å; V723-V750 PolarHBondContact N-O 3.46Å; V750-M752 HydrophobicContact CG1-CG 3.93Å
751	A	91.2	Very high	78.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.4	173	0	0	0	0	0	110.8	V626 E627 Q628 K629 V723 I739	V626-A751 HydrophobicContact CG1-CB 3.6Å; E627-A751 PolarHBondContact O-N 3.32Å; Q628-A751 WeakPolarHBondContact CA-O 3.49Å; K629-A751 PolarHBondContact N-O 3.32Å; V723-A751 CarbonylContact O-C 3.49Å; V723-A751 WeakPolarHBondContact O-CA 3.29Å; I739-A751 HydrophobicContact CB-CB 3.82Å; I739-A751 HydrophobicContact CG2-CB 3.42Å; I739-A751 VanDerWaalsContact CG2-CB 3.42Å
752	M	93.1	Very high	79.2	Confident	26 Å²	26	43.6 Å²	43.6	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.1	177.3	-61.7	-141.8	-72.1	0	0	111.3	K629 V645 M722 V723 I724 N725 V750	K629-M752 HydrophobicContact CB-CG 4.08Å; K629-M752 HydrophobicContact CB-SD 4.27Å; K629-M752 HydrophobicContact CD-CG 4.37Å; K629-M752 HydrophobicContact CD-SD 4.03Å; K629-M752 CarbonylContact O-C 3.47Å; K629-M752 WeakPolarHBondContact O-CA 3.23Å; V645-M752 HydrophobicContact CB-CE 4.01Å; V645-M752 HydrophobicContact CG1-CE 3.26Å; V645-M752 HydrophobicContact CG2-CE 3.47Å; V645-M752 VanDerWaalsContact CG2-CE 3.47Å; M722-M752 HydrophobicContact SD-CE 3.9Å; V723-M752 PolarHBondContact O-N 2.72Å; I724-M752 CarbonylContact C-O 3.51Å; I724-M752 VanDerWaalsContact CA-O 3.31Å; I724-M752 WeakPolarHBondContact CA-O 3.42Å; N725-M752 PolarHBondContact N-O 3.03Å; V750-M752 HydrophobicContact CG1-CG 3.93Å
753	T	95.8	Very high	80.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.2	-170.9	-55.2	0	0	0	0	111.3	K629 V630 L631 N725 M728 Y735 L755	K629-T753 PolarHBondContact O-N 3.38Å; V630-T753 WeakPolarHBondContact CA-O 3.23Å; L631-T753 PolarHBondContact N-O 2.91Å; N725-T753 HydrophobicContact CB-CG2 3.85Å; N725-T753 PolarHBondContact ND2-OG1 2.77Å; M728-T753 HydrophobicContact CB-CG2 4.45Å; M728-T753 HydrophobicContact SD-CG2 3.7Å; Y735-T753 HydrophobicContact CE2-CG2 4.18Å; Y735-T753 WeakPolarHBondContact CE2-OG1 3.26Å; T753-L755 HydrophobicContact CG2-CD2 4.07Å; T753-L755 HydrophobicContact CG2-CG 4.4Å
754	F	96.3	Very high	81.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.5	173.8	-55	-20.5	0	0	0	108.8	L631 M633 K638 K641 L642 I724 N725 Y726	L631-F754 HydrophobicContact CB-CD1 4.41Å; L631-F754 HydrophobicContact CD1-CD1 4.29Å; L631-F754 HydrophobicContact CD1-CE1 4.07Å; M633-F754 HydrophobicContact CE-CB 3.89Å; M633-F754 HydrophobicContact CE-CD1 3.41Å; M633-F754 VanDerWaalsContact CE-CD1 3.41Å; M633-F754 HydrophobicContact CE-CD2 4.42Å; M633-F754 HydrophobicContact CE-CE1 4.04Å; M633-F754 HydrophobicContact CE-CG 3.65Å; M633-F754 HydrophobicContact CG-CB 4.5Å; M633-F754 HydrophobicContact SD-CB 3.98Å; M633-F754 HydrophobicContact SD-CD1 4.26Å; M633-F754 HydrophobicContact SD-CD2 4.22Å; M633-F754 HydrophobicContact SD-CG 3.9Å; K638-F754 HydrophobicContact CB-CD2 3.93Å; K638-F754 HydrophobicContact CB-CE2 4.41Å; K638-F754 HydrophobicContact CD-CD2 4.48Å; K638-F754 HydrophobicContact CG-CB 4.1Å; K638-F754 HydrophobicContact CG-CD2 3.86Å; K638-F754 HydrophobicContact CG-CG 4.38Å; K641-F754 HydrophobicContact CB-CZ 4.25Å; K641-F754 HydrophobicContact CG-CE1 4.15Å; K641-F754 HydrophobicContact CG-CZ 4.3Å; L642-F754 HydrophobicContact CB-CE2 4.08Å; L642-F754 HydrophobicContact CB-CZ 4.29Å; I724-F754 HydrophobicContact CG2-CE2 4.45Å; I724-F754 HydrophobicContact CG2-CZ 4.21Å; N725-F754 PolarHBondContact O-N 2.82Å; Y726-F754 HydrophobicContact CD2-CD2 4.09Å; Y726-F754 AromaticContact CD2-CE2 3.87Å; Y726-F754 HydrophobicContact CD2-CE2 3.87Å; Y726-F754 HydrophobicContact CE2-CE2 4.38Å; Y726-F754 HydrophobicContact CG-CD2 4.43Å
755	L	94.9	Very high	83.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134	178	-67.3	178.3	0	0	0	110.1	V630 L631 L632 M633 M728 T753 F763 L766 L782	V630-L755 HydrophobicContact CB-CD1 3.98Å; V630-L755 HydrophobicContact CB-CG 4.46Å; V630-L755 HydrophobicContact CG1-CD1 4.26Å; V630-L755 HydrophobicContact CG2-CD1 4.35Å; L631-L755 PolarHBondContact O-N 2.85Å; L632-L755 WeakPolarHBondContact CA-O 3.26Å; L632-L755 HydrophobicContact CD1-CD1 4.11Å; L632-L755 HydrophobicContact CG-CB 4.3Å; M633-L755 PolarHBondContact N-O 2.93Å; M728-L755 HydrophobicContact CB-CD2 3.9Å; M728-L755 HydrophobicContact CG-CD2 3.73Å; M728-L755 HydrophobicContact SD-CD2 4.25Å; T753-L755 HydrophobicContact CG2-CD2 4.07Å; T753-L755 HydrophobicContact CG2-CG 4.4Å; L755-F763 HydrophobicContact CB-CE1 4.05Å; L755-F763 HydrophobicContact CB-CZ 4.19Å; L755-F763 HydrophobicContact CD1-CD1 4.46Å; L755-F763 HydrophobicContact CD1-CE1 4.12Å; L755-F763 HydrophobicContact CD1-CZ 4.5Å; L755-F763 HydrophobicContact CD2-CD1 4.49Å; L755-F763 HydrophobicContact CD2-CE1 4.04Å; L755-F763 HydrophobicContact CG-CE1 4.3Å; L755-L766 HydrophobicContact CD1-CD2 3.73Å; L755-L766 HydrophobicContact CD2-CD2 3.61Å; L755-L766 HydrophobicContact CG-CD2 4.17Å; L755-L782 HydrophobicContact CD1-CD1 4.06Å; L755-L782 HydrophobicContact CD1-CD2 4.21Å
756	T	93.8	Very high	85.8	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.031	23%	0.233	C	C	.	.			trans	-118.7	173.1	169.3	75	0	0	0	0	110.6	E758 D759 F763	T756-E758 WeakPolarHBondContact CB-OE2 3.5Å; T756-E758 PolarHBondContact O-N 3.28Å; T756-E758 PolarHBondContact OG1-N 3.34Å; T756-E758 PolarHBondContact OG1-OE2 2.76Å; T756-D759 PolarHBondContact O-N 2.73Å; T756-D759 VanDerWaalsContact O-N 3.11Å; T756-F763 WeakPolarHBondContact O-CZ 3.15Å
757	K	91.2	Very high	87.8	Confident	166 Å²	166	37.1 Å²	37.1	72%	0.722	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-60.2	-21.7	172.9	66.5	-175.2	-178	179.3	0	113.8	D759 S760	K757-D759 PolarHBondContact O-N 3.21Å; K757-S760 PolarHBondContact O-OG 3.07Å
758	E	90.5	Very high	89.5	Confident	102 Å²	102	34.1 Å²	34.1	48%	0.477	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-74.7	-11.1	177	-65.8	80.9	-153.1	0	0	112.9	T756	T756-E758 WeakPolarHBondContact CB-OE2 3.5Å; T756-E758 PolarHBondContact O-N 3.28Å; T756-E758 PolarHBondContact OG1-N 3.34Å; T756-E758 PolarHBondContact OG1-OE2 2.76Å
759	D	92.3	Very high	90.9	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.043	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-107.1	11.2	-178.2	-56.4	-46.2	0	0	0	112.7	M728 K730 T756 K757 A761 V762 F763	M728-D759 HydrophobicContact CB-CB 4.04Å; M728-D759 WeakPolarHBondContact CB-OD2 3.27Å; M728-D759 HydrophobicContact CG-CB 4.21Å; K730-D759 IonicContact NZ-OD1 3.96Å; K730-D759 PolarHBondContact NZ-OD1 2.98Å; T756-D759 PolarHBondContact O-N 2.73Å; T756-D759 VanDerWaalsContact O-N 3.11Å; K757-D759 PolarHBondContact O-N 3.21Å; D759-A761 PolarHBondContact O-N 3.37Å; D759-V762 HydrophobicContact CB-CG2 4.27Å; D759-V762 WeakPolarHBondContact O-CG2 3.49Å; D759-V762 PolarHBondContact O-N 3.23Å; D759-F763 HydrophobicContact CB-CE1 4.11Å; D759-F763 WeakPolarHBondContact O-CD1 3.4Å; D759-F763 WeakPolarHBondContact O-CE1 3.39Å
760	S	90.4	Very high	91.7	Very high	43 Å²	43	30.9 Å²	30.9	30%	0.301	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-52.5	-32.3	-179.7	56.9	0	0	0	0	113.8	K757 V762 F763	K757-S760 PolarHBondContact O-OG 3.07Å; S760-V762 PolarHBondContact O-N 2.94Å; S760-V762 VanDerWaalsContact O-N 3.16Å; S760-F763 WeakPolarHBondContact O-CB 3.46Å; S760-F763 PolarHBondContact O-N 3.13Å; S760-F763 VanDerWaalsContact O-N 3.16Å
761	A	90.8	Very high	91.8	Very high	66 Å²	66	33.7 Å²	33.7	55%	0.545	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-63.8	-13.7	177.3	0	0	0	0	0	115	D759 P792	D759-A761 PolarHBondContact O-N 3.37Å; A761-P792 WeakPolarHBondContact O-CG 3.46Å
762	V	92.9	Very high	91.5	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-113.1	2.2	174.5	-64.6	0	0	0	0	113.3	M728 D759 S760 Y764 D765 L766	M728-V762 HydrophobicContact CE-CB 4.24Å; M728-V762 HydrophobicContact CE-CG2 3.7Å; M728-V762 HydrophobicContact CG-CG2 3.68Å; D759-V762 HydrophobicContact CB-CG2 4.27Å; D759-V762 WeakPolarHBondContact O-CG2 3.49Å; D759-V762 PolarHBondContact O-N 3.23Å; S760-V762 PolarHBondContact O-N 2.94Å; S760-V762 VanDerWaalsContact O-N 3.16Å; V762-Y764 PolarHBondContact O-N 2.81Å; V762-D765 PolarHBondContact O-N 3.36Å; V762-L766 WeakPolarHBondContact O-CB 3.47Å; V762-L766 PolarHBondContact O-N 3.32Å
763	F	93.2	Very high	90.9	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-38.6	-174.4	-83.5	22.2	0	0	0	113.4	L755 T756 D759 S760 K767 L782 H785 D787 A788	L755-F763 HydrophobicContact CB-CE1 4.05Å; L755-F763 HydrophobicContact CB-CZ 4.19Å; L755-F763 HydrophobicContact CD1-CD1 4.46Å; L755-F763 HydrophobicContact CD1-CE1 4.12Å; L755-F763 HydrophobicContact CD1-CZ 4.5Å; L755-F763 HydrophobicContact CD2-CD1 4.49Å; L755-F763 HydrophobicContact CD2-CE1 4.04Å; L755-F763 HydrophobicContact CG-CE1 4.3Å; T756-F763 WeakPolarHBondContact O-CZ 3.15Å; D759-F763 HydrophobicContact CB-CE1 4.11Å; D759-F763 WeakPolarHBondContact O-CD1 3.4Å; D759-F763 WeakPolarHBondContact O-CE1 3.39Å; S760-F763 WeakPolarHBondContact O-CB 3.46Å; S760-F763 PolarHBondContact O-N 3.13Å; S760-F763 VanDerWaalsContact O-N 3.16Å; F763-K767 WeakPolarHBondContact O-CB 3.38Å; F763-K767 PolarHBondContact O-N 3.43Å; F763-L782 HydrophobicContact CB-CD1 4.03Å; F763-L782 HydrophobicContact CD1-CD1 4.44Å; F763-L782 HydrophobicContact CD2-CD1 3.9Å; F763-L782 HydrophobicContact CE2-CD1 4.5Å; F763-L782 HydrophobicContact CG-CD1 3.88Å; F763-H785 HydrophobicContact CD2-CB 4.26Å; F763-H785 AromaticContact CD2-CE1 3.99Å; F763-H785 AromaticContact CD2-CG 3.83Å; F763-H785 AromaticContact CD2-ND1 3.44Å; F763-H785 WeakPolarHBondContact CD2-ND1 3.44Å; F763-H785 AromaticContact CE2-CE1 3.61Å; F763-H785 AromaticContact CE2-CG 3.82Å; F763-H785 AromaticContact CE2-ND1 3.51Å; F763-H785 AromaticContact CE2-NE2 3.98Å; F763-D787 HydrophobicContact CD2-CB 4.27Å; F763-A788 HydrophobicContact CB-CB 3.99Å
764	Y	92.3	Very high	90	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.184	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-50.2	178.2	178.5	-86.8	0	0	0	111.6	V762 K767 Q768 H790 K791	V762-Y764 PolarHBondContact O-N 2.81Å; Y764-K767 WeakPolarHBondContact O-CB 3.43Å; Y764-K767 PolarHBondContact O-N 2.95Å; Y764-Q768 HydrophobicContact CD1-CG 4.34Å; Y764-Q768 HydrophobicContact CE1-CG 3.93Å; Y764-Q768 WeakPolarHBondContact O-CG 3.39Å; Y764-Q768 PolarHBondContact O-N 2.92Å; Y764-H790 WeakPolarHBondContact CB-O 3.47Å; Y764-H790 VanDerWaalsContact CD2-C 3.41Å; Y764-H790 WeakPolarHBondContact CD2-O 3.37Å; Y764-K791 HydrophobicContact CD1-CB 4.49Å; Y764-K791 HydrophobicContact CD1-CG 3.7Å; Y764-K791 HydrophobicContact CE1-CD 4.2Å; Y764-K791 HydrophobicContact CE1-CG 3.33Å; Y764-K791 HydrophobicContact CE2-CG 4.43Å; Y764-K791 HydrophobicContact CG-CG 4.4Å
765	D	90.7	Very high	89.3	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-70.3	-36.6	-176.8	-56.6	-54.5	0	0	0	111.5	I732 V762 Q768 A769	I732-D765 HydrophobicContact CB-CB 3.95Å; I732-D765 HydrophobicContact CD1-CB 4.4Å; I732-D765 HydrophobicContact CG1-CB 4.05Å; I732-D765 HydrophobicContact CG2-CB 4.22Å; V762-D765 PolarHBondContact O-N 3.36Å; D765-Q768 PolarHBondContact O-N 2.68Å; D765-A769 PolarHBondContact O-N 2.63Å
766	L	92.3	Very high	88.7	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-40.1	171.9	179.8	61.1	0	0	0	112.2	V630 M728 I732 Y735 L755 V762 Q768 A769 I770 L782	V630-L766 HydrophobicContact CG1-CD2 4.16Å; M728-L766 HydrophobicContact CE-CB 4.4Å; M728-L766 HydrophobicContact CE-CD1 4.24Å; M728-L766 HydrophobicContact CE-CD2 4Å; M728-L766 HydrophobicContact CE-CG 4.46Å; M728-L766 HydrophobicContact SD-CD2 4.21Å; I732-L766 HydrophobicContact CD1-CB 4.29Å; I732-L766 HydrophobicContact CD1-CD1 4.45Å; Y735-L766 HydrophobicContact CD1-CD1 4.01Å; Y735-L766 HydrophobicContact CD2-CD1 4.34Å; Y735-L766 HydrophobicContact CE1-CD1 3.47Å; Y735-L766 VanDerWaalsContact CE1-CD1 3.47Å; Y735-L766 HydrophobicContact CE2-CD1 3.83Å; Y735-L766 HydrophobicContact CG-CD1 4.41Å; L755-L766 HydrophobicContact CD1-CD2 3.73Å; L755-L766 HydrophobicContact CD2-CD2 3.61Å; L755-L766 HydrophobicContact CG-CD2 4.17Å; V762-L766 WeakPolarHBondContact O-CB 3.47Å; V762-L766 PolarHBondContact O-N 3.32Å; L766-Q768 VanDerWaalsContact C-N 3.34Å; L766-Q768 PolarHBondContact O-N 3.44Å; L766-A769 PolarHBondContact O-N 2.84Å; L766-I770 HydrophobicContact CD1-CD1 3.89Å; L766-I770 HydrophobicContact CD1-CG1 4.24Å; L766-I770 HydrophobicContact CG-CD1 3.9Å; L766-I770 VanDerWaalsContact O-CG1 3.29Å; L766-I770 WeakPolarHBondContact O-CG1 3.47Å; L766-I770 PolarHBondContact O-N 3.25Å; L766-L782 HydrophobicContact CD2-CD2 4.26Å; L766-L782 HydrophobicContact CG-CD2 4.13Å
767	K	92.4	Very high	88.1	Confident	18 Å²	18	51.9 Å²	51.9	8%	0.078	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-42.9	172.7	169	-178.1	164.8	-179.1	0	111.2	F763 Y764 I770 L771 L782 T783 A788	F763-K767 WeakPolarHBondContact O-CB 3.38Å; F763-K767 PolarHBondContact O-N 3.43Å; Y764-K767 WeakPolarHBondContact O-CB 3.43Å; Y764-K767 PolarHBondContact O-N 2.95Å; K767-I770 PolarHBondContact O-N 3.48Å; K767-L771 HydrophobicContact CG-CD1 3.75Å; K767-L771 HydrophobicContact CG-CG 4.35Å; K767-L771 WeakPolarHBondContact O-CB 3.45Å; K767-L771 VanDerWaalsContact O-CG 3.23Å; K767-L771 WeakPolarHBondContact O-CG 3.31Å; K767-L771 PolarHBondContact O-N 3.27Å; K767-L782 HydrophobicContact CB-CD2 4.36Å; K767-L782 HydrophobicContact CB-CG 4.29Å; K767-T783 WeakPolarHBondContact CE-O 3.01Å; K767-T783 PolarHBondContact NZ-O 2.8Å; K767-A788 HydrophobicContact CD-CB 3.89Å; K767-A788 VanDerWaalsContact CD-O 3.26Å; K767-A788 WeakPolarHBondContact CD-O 3.3Å; K767-A788 PolarHBondContact NZ-O 3Å
768	Q	89.9	Confident	87.7	Confident	65 Å²	65	45 Å²	45	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-47.1	174.6	-61.1	-55.7	-31.4	0	0	111.3	Y764 D765 L766 I770 L771 E772	Y764-Q768 HydrophobicContact CD1-CG 4.34Å; Y764-Q768 HydrophobicContact CE1-CG 3.93Å; Y764-Q768 WeakPolarHBondContact O-CG 3.39Å; Y764-Q768 PolarHBondContact O-N 2.92Å; D765-Q768 PolarHBondContact O-N 2.68Å; L766-Q768 VanDerWaalsContact C-N 3.34Å; L766-Q768 PolarHBondContact O-N 3.44Å; Q768-I770 PolarHBondContact O-N 3.3Å; Q768-L771 PolarHBondContact O-N 2.94Å; Q768-L771 VanDerWaalsContact O-N 3.11Å; Q768-E772 WeakPolarHBondContact O-CB 3.47Å; Q768-E772 WeakPolarHBondContact O-CG 3.2Å; Q768-E772 PolarHBondContact O-N 3.12Å
769	A	87.5	Confident	87.3	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-29.9	179.2	0	0	0	0	0	114.1	H623 Q628 I732 D765 L766	H623-A769 HydrophobicContact CB-CB 4.12Å; H623-A769 PolarHBondContact CD2-O 2.85Å; H623-A769 VanDerWaalsContact CD2-O 3.27Å; Q628-A769 PolarHBondContact NE2-O 3.44Å; I732-A769 HydrophobicContact CD1-CB 4.1Å; D765-A769 PolarHBondContact O-N 2.63Å; L766-A769 PolarHBondContact O-N 2.84Å
770	I	88.5	Confident	86.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-85.1	-33.6	175.7	-57.5	162.5	0	0	0	111.3	Q628 V630 L766 K767 Q768 S773 C778 L782	Q628-I770 HydrophobicContact CB-CG1 4.03Å; V630-I770 HydrophobicContact CG1-CD1 3.46Å; V630-I770 VanDerWaalsContact CG1-CD1 3.46Å; V630-I770 HydrophobicContact CG2-CD1 4.34Å; L766-I770 HydrophobicContact CD1-CD1 3.89Å; L766-I770 HydrophobicContact CD1-CG1 4.24Å; L766-I770 HydrophobicContact CG-CD1 3.9Å; L766-I770 VanDerWaalsContact O-CG1 3.29Å; L766-I770 WeakPolarHBondContact O-CG1 3.47Å; L766-I770 PolarHBondContact O-N 3.25Å; K767-I770 PolarHBondContact O-N 3.48Å; Q768-I770 PolarHBondContact O-N 3.3Å; I770-S773 WeakPolarHBondContact O-CB 3.32Å; I770-S773 PolarHBondContact O-N 3.49Å; I770-C778 HydrophobicContact CB-CB 4.27Å; I770-C778 HydrophobicContact CG2-CB 3.66Å; I770-L782 HydrophobicContact CD1-CD2 3.89Å
771	L	87	Confident	86.4	Confident	91 Å²	91	48.7 Å²	48.7	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-72.1	-30.2	175.4	-71.7	173.9	0	0	0	113.2	K767 Q768 S773 C778	K767-L771 HydrophobicContact CG-CD1 3.75Å; K767-L771 HydrophobicContact CG-CG 4.35Å; K767-L771 WeakPolarHBondContact O-CB 3.45Å; K767-L771 VanDerWaalsContact O-CG 3.23Å; K767-L771 WeakPolarHBondContact O-CG 3.31Å; K767-L771 PolarHBondContact O-N 3.27Å; Q768-L771 PolarHBondContact O-N 2.94Å; Q768-L771 VanDerWaalsContact O-N 3.11Å; L771-S773 PolarHBondContact O-N 2.89Å; L771-C778 HydrophobicContact CD2-CB 3.85Å; L771-C778 HydrophobicContact CG-CB 4.32Å
772	E	85.1	Confident	86.2	Confident	84 Å²	84	45.6 Å²	45.6	39%	0.393	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.3	169.7	-75.3	-176.1	-158.2	0	0	112.6	K621 H623 Q768 P774	K621-E772 IonicContact NZ-OE2 2.77Å; K621-E772 PolarHBondContact NZ-OE2 3.33Å; H623-E772 IonicContact CD2-OE2 2.84Å; H623-E772 IonicContact CE1-OE2 3.31Å; H623-E772 IonicContact NE2-OE2 2.93Å; H623-E772 PolarHBondContact NE2-OE2 3.32Å; Q768-E772 WeakPolarHBondContact O-CB 3.47Å; Q768-E772 WeakPolarHBondContact O-CG 3.2Å; Q768-E772 PolarHBondContact O-N 3.12Å; E772-P774 WeakPolarHBondContact O-CD 3.26Å
773	S	80.3	Confident	85.9	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.035	26%	0.261	C	S	.	.			trans	-92.1	108.4	-176.5	-177.2	0	0	0	0	113.3	H623 I770 L771 V775 S776	H623-S773 WeakPolarHBondContact O-CB 3.44Å; H623-S773 PolarHBondContact O-OG 3.04Å; I770-S773 WeakPolarHBondContact O-CB 3.32Å; I770-S773 PolarHBondContact O-N 3.49Å; L771-S773 PolarHBondContact O-N 2.89Å; S773-V775 PolarHBondContact O-N 2.97Å; S773-V775 WeakPolarHBondContact OG-CG2 3.46Å; S773-S776 WeakPolarHBondContact CB-OG 3.49Å; S773-S776 PolarHBondContact O-N 3.16Å; S773-S776 PolarHBondContact OG-N 2.78Å; S773-S776 PolarHBondContact OG-OG 2.85Å
774	P	78.3	Confident	85.7	Confident	117 Å²	117	52.2 Å²	52.2	76%	0.76	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.1	174.9	27.7	-37.1	0	0	0	113.9	E624 E772	E624-P774 WeakPolarHBondContact O-CD 3.23Å; E772-P774 WeakPolarHBondContact O-CD 3.26Å
775	V	80.5	Confident	85.5	Confident	66 Å²	66	52.4 Å²	52.4	40%	0.4	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.7	177.7	-61.1	0	0	0	0	113.4	V626 S773	V626-V775 WeakPolarHBondContact O-CG2 3.28Å; S773-V775 PolarHBondContact O-N 2.97Å; S773-V775 WeakPolarHBondContact OG-CG2 3.46Å
776	S	82.6	Confident	85.4	Confident	14 Å²	14	54.5 Å²	54.5	10%	0.098	31%	0.31	C	S	.	.			trans	-103.5	153.4	-179.3	-55.2	0	0	0	0	111.6	V626 Q628 S773	V626-S776 PolarHBondContact O-OG 3.31Å; Q628-S776 WeakPolarHBondContact CB-OG 3.4Å; Q628-S776 PolarHBondContact N-OG 2.8Å; Q628-S776 PolarHBondContact NE2-OG 3.46Å; S773-S776 WeakPolarHBondContact CB-OG 3.49Å; S773-S776 PolarHBondContact O-N 3.16Å; S773-S776 PolarHBondContact OG-N 2.78Å; S773-S776 PolarHBondContact OG-OG 2.85Å
777	T	82.2	Confident	85.2	Confident	128 Å²	128	58.4 Å²	58.4	79%	0.785	33%	0.33	S	S	*	.			trans	-112.8	110.3	166.6	-60.4	0	0	0	0	108.8	P779	T777-P779 WeakPolarHBondContact O-CD 3.3Å
778	C	81.3	Confident	85.1	Confident	21 Å²	21	57.6 Å²	57.6	14%	0.142	33%	0.327	C	S	.	.			trans	-66.6	117	177	-167.1	0	0	0	0	110.1	I770 L771 T783	I770-C778 HydrophobicContact CB-CB 4.27Å; I770-C778 HydrophobicContact CG2-CB 3.66Å; L771-C778 HydrophobicContact CD2-CB 3.85Å; L771-C778 HydrophobicContact CG-CB 4.32Å; C778-T783 PolarHBondContact SG-OG1 3.22Å
779	P	81.9	Confident	85.1	Confident	26 Å²	26	58.1 Å²	58.1	17%	0.169	33%	0.329	C	S	.	.			trans	-69.2	144.5	-176.5	26.7	-31.7	0	0	0	110.6	V630 T777 E781 L782 T783	V630-P779 HydrophobicContact CG2-CG 3.22Å; T777-P779 WeakPolarHBondContact O-CD 3.3Å; P779-E781 PolarHBondContact O-N 3.15Å; P779-E781 VanDerWaalsContact O-N 3.09Å; P779-L782 HydrophobicContact CG-CB 4.48Å; P779-L782 PolarHBondContact O-N 2.89Å; P779-T783 PolarHBondContact O-N 3.23Å; P779-T783 PolarHBondContact O-OG1 3.49Å; P779-T783 VanDerWaalsContact O-OG1 3.12Å
780	P	82.4	Confident	85.1	Confident	88 Å²	88	62.4 Å²	62.4	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-61	-25.6	-175.7	25.6	-35	0	0	0	112.8	L782 N784	P780-L782 PolarHBondContact O-N 3.3Å; P780-N784 VanDerWaalsContact O-CB 3.25Å; P780-N784 WeakPolarHBondContact O-CB 3.47Å; P780-N784 PolarHBondContact O-N 3.45Å; P780-N784 PolarHBondContact O-ND2 2.99Å
781	E	82.2	Confident	84.9	Confident	118 Å²	118	68.2 Å²	68.2	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-59.2	-41	175.1	-64	175.9	-169.6	0	0	112.7	L632 P779 H785	L632-E781 HydrophobicContact CD1-CB 4.13Å; L632-E781 HydrophobicContact CD2-CB 4.3Å; P779-E781 PolarHBondContact O-N 3.15Å; P779-E781 VanDerWaalsContact O-N 3.09Å; E781-H785 WeakPolarHBondContact O-CB 3.48Å; E781-H785 PolarHBondContact O-N 3.07Å
782	L	86.3	Confident	84.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-83.9	-45.2	174.5	-178.5	61.8	0	0	0	111.2	V630 L632 L755 F763 L766 K767 I770 P779 P780 N784 H785 A788	V630-L782 HydrophobicContact CG2-CB 4.19Å; V630-L782 HydrophobicContact CG2-CD2 3.97Å; L632-L782 HydrophobicContact CD1-CB 4.3Å; L755-L782 HydrophobicContact CD1-CD1 4.06Å; L755-L782 HydrophobicContact CD1-CD2 4.21Å; F763-L782 HydrophobicContact CB-CD1 4.03Å; F763-L782 HydrophobicContact CD1-CD1 4.44Å; F763-L782 HydrophobicContact CD2-CD1 3.9Å; F763-L782 HydrophobicContact CE2-CD1 4.5Å; F763-L782 HydrophobicContact CG-CD1 3.88Å; L766-L782 HydrophobicContact CD2-CD2 4.26Å; L766-L782 HydrophobicContact CG-CD2 4.13Å; K767-L782 HydrophobicContact CB-CD2 4.36Å; K767-L782 HydrophobicContact CB-CG 4.29Å; I770-L782 HydrophobicContact CD1-CD2 3.89Å; P779-L782 HydrophobicContact CG-CB 4.48Å; P779-L782 PolarHBondContact O-N 2.89Å; P780-L782 PolarHBondContact O-N 3.3Å; L782-N784 PolarHBondContact O-N 3.04Å; L782-N784 VanDerWaalsContact O-N 3.16Å; L782-H785 WeakPolarHBondContact O-CB 3.34Å; L782-H785 PolarHBondContact O-N 3.1Å; L782-H785 VanDerWaalsContact O-N 3.1Å; L782-A788 HydrophobicContact CD1-CB 4.18Å; L782-A788 VanDerWaalsContact O-CB 3.23Å; L782-A788 WeakPolarHBondContact O-CB 3.2Å
783	T	86.8	Confident	84.3	Confident	35 Å²	35	66.8 Å²	66.8	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-54.2	-39.6	-177.9	-53.6	0	0	0	0	112.1	K767 C778 P779 Q789	K767-T783 WeakPolarHBondContact CE-O 3.01Å; K767-T783 PolarHBondContact NZ-O 2.8Å; C778-T783 PolarHBondContact SG-OG1 3.22Å; P779-T783 PolarHBondContact O-N 3.23Å; P779-T783 PolarHBondContact O-OG1 3.49Å; P779-T783 VanDerWaalsContact O-OG1 3.12Å; T783-Q789 PolarHBondContact O-NE2 3.3Å
784	N	88.9	Confident	84.2	Confident	117 Å²	117	70.3 Å²	70.3	63%	0.626	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	3.6	-176.8	-55.9	-30.7	0	0	0	113.6	P780 L782	P780-N784 VanDerWaalsContact O-CB 3.25Å; P780-N784 WeakPolarHBondContact O-CB 3.47Å; P780-N784 PolarHBondContact O-N 3.45Å; P780-N784 PolarHBondContact O-ND2 2.99Å; L782-N784 PolarHBondContact O-N 3.04Å; L782-N784 VanDerWaalsContact O-N 3.16Å
785	H	88.4	Confident	83.3	Confident	50 Å²	50	72.1 Å²	72.1	23%	0.231	42%	0.415	C	S	.	.			trans	-62.9	138.1	179.7	-160	-93.5	0	0	0	110.8	F763 E781 L782 D787 A788 Q789	F763-H785 HydrophobicContact CD2-CB 4.26Å; F763-H785 AromaticContact CD2-CE1 3.99Å; F763-H785 AromaticContact CD2-CG 3.83Å; F763-H785 AromaticContact CD2-ND1 3.44Å; F763-H785 WeakPolarHBondContact CD2-ND1 3.44Å; F763-H785 AromaticContact CE2-CE1 3.61Å; F763-H785 AromaticContact CE2-CG 3.82Å; F763-H785 AromaticContact CE2-ND1 3.51Å; F763-H785 AromaticContact CE2-NE2 3.98Å; E781-H785 WeakPolarHBondContact O-CB 3.48Å; E781-H785 PolarHBondContact O-N 3.07Å; L782-H785 WeakPolarHBondContact O-CB 3.34Å; L782-H785 PolarHBondContact O-N 3.1Å; L782-H785 VanDerWaalsContact O-N 3.1Å; H785-D787 VanDerWaalsContact C-N 3.32Å; H785-D787 IonicContact CE1-OD2 2.91Å; H785-D787 PolarHBondContact CE1-OD2 3.09Å; H785-D787 PolarHBondContact ND1-N 3.49Å; H785-D787 IonicContact ND1-OD2 3.06Å; H785-D787 PolarHBondContact O-N 3.41Å; H785-A788 HydrophobicContact CB-CB 3.94Å; H785-A788 PolarHBondContact O-N 3.12Å; H785-Q789 PolarHBondContact O-NE2 3.26Å
786	P	88.8	Confident	82.4	Confident	96 Å²	96	74 Å²	74	62%	0.623	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-53.6	-47	178.8	-28.4	35.9	0	0	0	113.1	A788 Q789	P786-A788 PolarHBondContact O-N 3.49Å; P786-Q789 PolarHBondContact O-N 2.94Å
787	D	88.9	Confident	80.8	Confident	82 Å²	82	79.3 Å²	79.3	44%	0.439	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-72	-7.5	-179	-51.4	-34.6	0	0	0	113.9	F763 H785	F763-D787 HydrophobicContact CD2-CB 4.27Å; H785-D787 VanDerWaalsContact C-N 3.32Å; H785-D787 IonicContact CE1-OD2 2.91Å; H785-D787 PolarHBondContact CE1-OD2 3.09Å; H785-D787 PolarHBondContact ND1-N 3.49Å; H785-D787 IonicContact ND1-OD2 3.06Å; H785-D787 PolarHBondContact O-N 3.41Å
788	A	89.6	Confident	79.2	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-97.8	7.4	177.1	0	0	0	0	0	113.6	F763 K767 L782 H785 P786	F763-A788 HydrophobicContact CB-CB 3.99Å; K767-A788 HydrophobicContact CD-CB 3.89Å; K767-A788 VanDerWaalsContact CD-O 3.26Å; K767-A788 WeakPolarHBondContact CD-O 3.3Å; K767-A788 PolarHBondContact NZ-O 3Å; L782-A788 HydrophobicContact CD1-CB 4.18Å; L782-A788 VanDerWaalsContact O-CB 3.23Å; L782-A788 WeakPolarHBondContact O-CB 3.2Å; H785-A788 HydrophobicContact CB-CB 3.94Å; H785-A788 PolarHBondContact O-N 3.12Å; P786-A788 PolarHBondContact O-N 3.49Å
789	Q	88.8	Confident	77.5	Confident	76 Å²	76	91.2 Å²	91.2	36%	0.355	49%	0.493	S	S	.	.	S	Bend	trans	-93.8	-25	-177.3	-54.7	-46.3	-41.3	0	0	114.3	T783 H785 P786	T783-Q789 PolarHBondContact O-NE2 3.3Å; H785-Q789 PolarHBondContact O-NE2 3.26Å; P786-Q789 PolarHBondContact O-N 2.94Å
790	H	87.5	Confident	75.5	Confident	94 Å²	94	101.3 Å²	101.3	44%	0.435	53%	0.528	S	S	.	.	S	Bend	trans	-130.9	151.2	-174	-58	-72.2	0	0	0	111.1	Y764	Y764-H790 WeakPolarHBondContact CB-O 3.47Å; Y764-H790 VanDerWaalsContact CD2-C 3.41Å; Y764-H790 WeakPolarHBondContact CD2-O 3.37Å
791	K	85.7	Confident	73.7	Confident	124 Å²	124	108.3 Å²	108.3	54%	0.539	54%	0.542	S	S	.	.			trans	-60.8	140.1	176.1	-77.1	-172.6	173.7	-168.5	0	110.7	Y764 T794	Y764-K791 HydrophobicContact CD1-CB 4.49Å; Y764-K791 HydrophobicContact CD1-CG 3.7Å; Y764-K791 HydrophobicContact CE1-CD 4.2Å; Y764-K791 HydrophobicContact CE1-CG 3.33Å; Y764-K791 HydrophobicContact CE2-CG 4.43Å; Y764-K791 HydrophobicContact CG-CG 4.4Å; K791-T794 VanDerWaalsContact O-CB 3.26Å; K791-T794 WeakPolarHBondContact O-CB 3.28Å; K791-T794 PolarHBondContact O-N 3.07Å; K791-T794 VanDerWaalsContact O-N 3.1Å; K791-T794 PolarHBondContact O-OG1 3.49Å
792	P	81.9	Confident	71.9	Confident	64 Å²	64	111.7 Å²	111.7	42%	0.416	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.5	141.5	176	-23.1	33.7	0	0	0	111.2	A761 T794	A761-P792 WeakPolarHBondContact O-CG 3.46Å; P792-T794 PolarHBondContact O-N 3.02Å
793	G	77.7	Confident	69.6	Low	82 Å²	82	120.1 Å²	120.1	85%	0.845	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.4	-5.5	-176.8	0	0	0	0	0	115.8	I795	G793-I795 PolarHBondContact O-N 3.28Å; G793-I795 VanDerWaalsContact O-N 3.16Å
794	T	76.6	Confident	67.4	Low	79 Å²	79	124 Å²	124	49%	0.485	62%	0.622	S	S	.	*			trans	-68.5	112.8	173.2	-49.5	0	0	0	0	110	K791 P792 L796	K791-T794 VanDerWaalsContact O-CB 3.26Å; K791-T794 WeakPolarHBondContact O-CB 3.28Å; K791-T794 PolarHBondContact O-N 3.07Å; K791-T794 VanDerWaalsContact O-N 3.1Å; K791-T794 PolarHBondContact O-OG1 3.49Å; P792-T794 PolarHBondContact O-N 3.02Å; T794-L796 PolarHBondContact O-N 3.25Å
795	I	60.7	Low	65.1	Low	155 Å²	155	126 Å²	126	80%	0.795	63%	0.631	S	S	*	*			trans	-68.9	103.1	175.2	-60.8	174.2	0	0	0	108.9	G793 T797	G793-I795 PolarHBondContact O-N 3.28Å; G793-I795 VanDerWaalsContact O-N 3.16Å; I795-T797 PolarHBondContact O-N 3.12Å
796	L	60.3	Low	62.7	Low	104 Å²	104	132.7 Å²	132.7	55%	0.545	66%	0.659	S	S	.	*			trans	-69.9	100.4	169.3	-71.9	168.7	0	0	0	109.4	T794 K798	T794-L796 PolarHBondContact O-N 3.25Å; L796-K798 VanDerWaalsContact C-N 3.3Å; L796-K798 PolarHBondContact O-N 3.49Å
797	T	50.9	Low	60.6	Low	126 Å²	126	136.2 Å²	136.2	77%	0.773	70%	0.697	S	S	*	*			trans	-58.6	98.2	158.8	53.8	0	0	0	0	107.4	I795 K799	I795-T797 PolarHBondContact O-N 3.12Å; T797-K799 PolarHBondContact O-N 3Å
798	K	48.1	Very low	59.1	Low	197 Å²	197	138.9 Å²	138.9	86%	0.857	71%	0.709	S	S	*	*			trans	-54.8	107.2	174.9	-77.2	178.9	176.5	173	0	107.6	L796 R800	L796-K798 VanDerWaalsContact C-N 3.3Å; L796-K798 PolarHBondContact O-N 3.49Å; K798-R800 PolarHBondContact O-N 3.16Å; K798-R800 VanDerWaalsContact O-N 3.09Å
799	K	44.6	Very low	57.5	Low	202 Å²	202	146.2 Å²	146.2	88%	0.878	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-51.9	122.6	162.9	-84.2	-172.1	171.1	-174	0	106	T797 R801	T797-K799 PolarHBondContact O-N 3Å; K799-R801 PolarHBondContact O-N 2.87Å
800	R	40.8	Very low	55.8	Low	239 Å²	239	150.1 Å²	150.1	90%	0.902	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-48	130.5	169.8	-95.1	178.3	162.6	171.6	-7.2	106.8	K798 E802	K798-R800 PolarHBondContact O-N 3.16Å; K798-R800 VanDerWaalsContact O-N 3.09Å; R800-E802 PolarHBondContact O-N 3.39Å
801	R	44.3	Very low	53.9	Low	234 Å²	234	153.4 Å²	153.4	88%	0.883	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-51.3	135.4	173.6	-85.1	176.8	162.7	171.8	-7.3	108	K799 E803	K799-R801 PolarHBondContact O-N 2.87Å; R801-E803 PolarHBondContact O-N 3.26Å
802	E	43.8	Very low	52	Low	189 Å²	189	155.3 Å²	155.3	88%	0.883	80%	0.804	S	S	*	*			trans	-58.6	109.5	165.5	-69.5	165.3	164.7	0	0	107.1	R800 T804	R800-E802 PolarHBondContact O-N 3.39Å; E802-T804 PolarHBondContact O-N 2.83Å
803	E	39.1	Very low	50	Low	178 Å²	178	161.3 Å²	161.3	83%	0.832	83%	0.83	S	S	*	*			trans	-67.6	119.8	168.7	-74.1	178.4	156.8	0	0	107.1	R801 I805	R801-E803 PolarHBondContact O-N 3.26Å; E803-I805 VanDerWaalsContact C-N 3.35Å; E803-I805 PolarHBondContact O-N 3.23Å
804	T	40.1	Very low	48	Very low	116 Å²	116	167 Å²	167	71%	0.712	83%	0.828	S	S	*	*			trans	-64.5	95.1	174.6	45.4	0	0	0	0	109.2	E802 F806	E802-T804 PolarHBondContact O-N 2.83Å; T804-F806 PolarHBondContact O-N 3.38Å; T804-F806 VanDerWaalsContact O-N 3.15Å
805	I	40	Very low	45.8	Very low	160 Å²	160	173.8 Å²	173.8	82%	0.821	86%	0.855	S	S	*	*			trans	-67.9	107.2	162	-59.7	176.3	0	0	0	106.2	E803	E803-I805 VanDerWaalsContact C-N 3.35Å; E803-I805 PolarHBondContact O-N 3.23Å
806	F	38.4	Very low	44.5	Very low	189 Å²	189	175.3 Å²	175.3	83%	0.829	86%	0.86	S	S	*	*			trans	-69.3	130.2	164.1	-78.6	-94.6	0	0	0	108.4	T804	T804-F806 PolarHBondContact O-N 3.38Å; T804-F806 VanDerWaalsContact O-N 3.15Å
807	A	43.9	Very low	43.1	Very low	170 Å²	170	181.8 Å²	181.8	100%	1.405	89%	0.889	S	S	*	*			trans	-113	0	165	0	0	0	0	0	108.4

Retrieved 807 of 807 residues in 2458.2 ms (Link to these results)

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