A0A077YZS7_TRITR Loading...

ATP-dependent DNA helicase

AlphaFold DB , UniProt , Accession A0A077YZS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 876 aa.

						>A0A077YZS7_TRITR|A0A077YZS7
MTKAPIFLRKHRQLRTLEDSPVSDKGWLKKSTATKTPSAGKNVTTVVDVPLHSLTFGKSQYFTSSRDDSDEVDEIDLISQRTPSPTCVSPLPALADYGSISPLKLGAHGKFRNFLHDDSASFTGSNYAHSGSMTTSLRTVFGLKQFRHKQLEAINATMLGHDCFILMPTGAGKSLCYQLPAVLLPGITLVVSPLKSLIEDQVQKMQALQVGAVSLSGEISATKLDQLKVQLYQKRLTTKLIYVTPEKLTASTSLIEVLDNLYERKLLSRFVIDEAHCVSQWGHDFRPDYKRMSMLRQRFPSVPLMALTATATPKIVVDTKNQLNMQSSKLFISTFVRSNLRYKVIEKEKKTMMTIVSMLKGIYKGSSGIIYCLSRKDCEEVAVLLCSHKIKAEAYHAGQADGRRSKVQRDWLMGKIQVICATIAFGMGIDKPDVRFVIHNSLPKSIEGYYQETGRAGRDGLPAHCILFYSYQDSIRLRKLIESESSKSSGTVLDMHRQNILSVVAYAENVGVCRRKVLVEHFGEIYDSAACKADMSTACDVCMNRNPPSLFDYTEDACLIVQTYKTLDRMNNGRCTLRQLADVYRGANTKDMSSAGRQTQLYGRGAKLGTRGTLRVMHHLICEQILVEQLFTTAMDHVVSYLRLGPQAQALLSGNKKVHIYLESSGAKNEMAHSVTEGVMAMEKNRFKHTDISERCLEALTNWLCQVAEAEGLSNVNAILSADALRQIACWLPRTQSELLGVDTMTERKLGKYGSHIMNLLEPFWNEVDQRESERMKQDLLKLEQRDYQRAQRVMMNNPLMVPSQSFDSTIDLTVSPNVDNGFVKASSIARKGSAYRRRGASSGVRKFRGKRTRGRSSQNGSQKKKRLTVGPSTGR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	34.1	Very low	240 Å²	240	159.9 Å²	159.9	100%	1.182	80%	0.801	S	S	*	*				0	118.3	0	-80.4	174.3	152.5	0	0	108.7
2	T	34.1	Very low	33.9	Very low	134 Å²	134	163.5 Å²	163.5	82%	0.822	80%	0.798	S	S	*	*			trans	32	114	161.8	51.2	0	0	0	0	121
3	K	35.3	Very low	33.8	Very low	215 Å²	215	161.5 Å²	161.5	94%	0.935	79%	0.786	S	S	*	*				-171.7	144.2	115.6	-99.9	173.2	-176.3	-177.7	0	112
4	A	34.2	Very low	33.5	Very low	91 Å²	91	160.4 Å²	160.4	75%	0.752	79%	0.785	S	S	*	*			trans	-88.1	-157.5	-173.1	0	0	0	0	0	111.1
5	P	49.1	Very low	33.4	Very low	124 Å²	124	164.7 Å²	164.7	81%	0.805	79%	0.789	S	S	*	*			cis	-147.6	-172.7	2.1	34.5	-8.8	0	0	0	117.5
6	I	31.7	Very low	33.4	Very low	146 Å²	146	161.6 Å²	161.6	75%	0.749	78%	0.783	S	S	*	*			trans	-115.8	153.9	174.5	-50.3	173.8	0	0	0	109.4
7	F	33	Very low	33.4	Very low	170 Å²	170	160.5 Å²	160.5	75%	0.746	78%	0.782	S	S	*	*			trans	126.2	121.4	133.6	-98	-72.4	0	0	0	120.5
8	L	31.5	Very low	33.6	Very low	132 Å²	132	160.6 Å²	160.6	69%	0.691	78%	0.78	S	S	*	*			trans	34.4	149.7	142.9	-72.4	172.8	0	0	0	121.1
9	R	31.7	Very low	33.7	Very low	202 Å²	202	159.2 Å²	159.2	76%	0.762	78%	0.777	S	S	*	*			cis	-179.3	144.5	42.6	-138.8	173.6	-172	178	1.4	111.6
10	K	32	Very low	33.6	Very low	164 Å²	164	156.7 Å²	156.7	71%	0.713	78%	0.776	S	S	*	*			trans	59.8	126.5	136.5	-84.9	-179.7	168.2	-164.4	0	126.2
11	H	32	Very low	33.8	Very low	141 Å²	141	155 Å²	155	65%	0.653	78%	0.777	S	S	*	*			trans	93.2	117.8	131.8	-88.6	-71.9	0	0	0	124.6
12	R	31.9	Very low	34	Very low	203 Å²	203	150.4 Å²	150.4	77%	0.766	76%	0.762	S	S	*	*			trans	55.4	142.7	136.7	-82.9	-173.8	176.3	-177.7	-2.3	118.9
13	Q	32.2	Very low	33.8	Very low	138 Å²	138	148.8 Å²	148.8	65%	0.645	76%	0.756	S	S	*	*			cis	-174.8	161.3	15.9	-132.3	174.4	-3.9	0	0	110.3
14	L	30.1	Very low	33.6	Very low	146 Å²	146	145.7 Å²	145.7	76%	0.764	75%	0.749	S	S	*	*			trans	76.3	125.5	153.9	-59.5	158.3	0	0	0	118
15	R	31.9	Very low	33.6	Very low	225 Å²	225	150.4 Å²	150.4	85%	0.849	75%	0.753	S	S	*	*				-169.5	127.2	66.4	-99.2	-173.4	-174	-164.2	0.4	110.3
16	T	33.9	Very low	32.6	Very low	114 Å²	114	147.7 Å²	147.7	70%	0.699	75%	0.748	S	S	*	*				69.6	136.3	102.5	62.7	0	0	0	0	115.1
17	L	33.5	Very low	32.5	Very low	144 Å²	144	153.5 Å²	153.5	75%	0.754	76%	0.76	S	S	*	*			cis	-149	168.6	21.9	-81.2	112.4	0	0	0	108.6
18	E	37	Very low	32.2	Very low	162 Å²	162	152.8 Å²	152.8	76%	0.757	76%	0.764	S	S	*	*			cis	-170.8	137.2	47.2	-136.3	151.7	-129.4	0	0	111.6
19	D	35	Very low	32.2	Very low	134 Å²	134	154.6 Å²	154.6	72%	0.717	77%	0.766	S	S	*	*			trans	74.9	102.2	141.3	-63.7	-0.5	0	0	0	127.3
20	S	31.8	Very low	32.2	Very low	108 Å²	108	153.8 Å²	153.8	76%	0.755	77%	0.768	S	S	*	*				95.8	118	114.4	-63.7	0	0	0	0	122.8
21	P	38.4	Very low	32.2	Very low	122 Å²	122	150.9 Å²	150.9	79%	0.792	77%	0.768	S	S	*	*			trans	-129.2	140.8	153.1	36.4	-22.2	0	0	0	113.3
22	V	33.5	Very low	32.1	Very low	144 Å²	144	150.6 Å²	150.6	87%	0.873	78%	0.776	S	S	*	*			trans	-155.8	143.5	152.2	176.5	0	0	0	0	111.1
23	S	30.9	Very low	32.1	Very low	100 Å²	100	146 Å²	146	70%	0.699	78%	0.782	S	S	*	*			trans	-61.8	153.6	174.7	56.6	0	0	0	0	117.1
24	D	31.2	Very low	32	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	79%	0.789	S	S	*	*			trans	-157.8	164.8	136.7	-128.7	-20.9	0	0	0	115.5
25	K	33.1	Very low	32	Very low	191 Å²	191	148.3 Å²	148.3	83%	0.83	80%	0.795	S	S	*	*			trans	-79.8	163.7	-161.6	-63.1	156.2	178	165.8	0	117.2
26	G	27.5	Very low	32	Very low	67 Å²	67	143.8 Å²	143.8	69%	0.691	79%	0.792	S	S	*	*			trans	87	127	148.6	0	0	0	0	0	114.3
27	W	29.9	Very low	32.2	Very low	268 Å²	268	143.6 Å²	143.6	100%	1.015	79%	0.793	S	S	*	*				-153.3	151.7	76.6	-95.4	43.7	0	0	0	112.3
28	L	27.9	Very low	31.9	Very low	155 Å²	155	142 Å²	142	81%	0.812	79%	0.793	S	S	*	*			trans	-139.6	123.4	-177.7	-153.5	153.8	0	0	0	106.7
29	K	31.8	Very low	31.7	Very low	169 Å²	169	139.2 Å²	139.2	74%	0.735	80%	0.798	S	S	*	*			trans	158.1	136.1	133	-92.3	177.5	178.6	170.5	0	116.2
30	K	31.3	Very low	31.3	Very low	186 Å²	186	136.3 Å²	136.3	81%	0.809	80%	0.8	S	S	*	*			trans	75.3	135.1	144	-68.3	171.4	175.5	-171.8	0	116.6
31	S	32	Very low	31.3	Very low	102 Å²	102	141.5 Å²	141.5	71%	0.713	81%	0.809	S	S	*	*			cis	-157.1	128.6	37.2	57	0	0	0	0	109.8
32	T	29.9	Very low	30.7	Very low	136 Å²	136	143.2 Å²	143.2	83%	0.834	81%	0.811	S	S	*	*				42.1	111.7	100.4	56.8	0	0	0	0	117.6
33	A	32.5	Very low	30.6	Very low	106 Å²	106	142.6 Å²	142.6	88%	0.876	81%	0.808	S	S	*	*				-170.9	131.3	123	0	0	0	0	0	112.8
34	T	28.7	Very low	30.3	Very low	129 Å²	129	144.1 Å²	144.1	79%	0.791	81%	0.813	S	S	*	*			trans	-66.7	153.6	173.3	43.4	0	0	0	0	115.3
35	K	31	Very low	30.2	Very low	204 Å²	204	143.5 Å²	143.5	89%	0.887	82%	0.815	S	S	*	*				175.9	112.6	125.5	-97.1	171.4	-176.8	-176.6	0	113.3
36	T	31.2	Very low	29.8	Very low	130 Å²	130	140.8 Å²	140.8	80%	0.798	81%	0.814	S	S	*	*			trans	-85.8	173.7	133.6	43.1	0	0	0	0	107.3
37	P	37.3	Very low	29.9	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	82%	0.818	S	S	*	*			cis	-153.7	179.2	29	42.7	-19	0	0	0	118.8
38	S	28	Very low	29.7	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	80%	0.804	S	S	*	*			trans	29.4	132.7	142	66.7	0	0	0	0	123.5
39	A	32.3	Very low	29.9	Very low	104 Å²	104	136.8 Å²	136.8	86%	0.86	81%	0.807	S	S	*	*				163	146.2	105.1	0	0	0	0	0	111.6
40	G	26.7	Very low	29.8	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	81%	0.805	S	S	*	*			trans	-98	-166.4	-165.2	0	0	0	0	0	117.2
41	K	32.1	Very low	29.5	Very low	217 Å²	217	133 Å²	133	94%	0.943	81%	0.808	S	S	*	*			trans	-178.2	138	142.5	-101.9	171.6	-173.7	-177	0	111.1
42	N	26.3	Very low	29.4	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	81%	0.812	S	S	*	*			trans	-55.1	148.2	167.2	-63.9	-35.2	0	0	0	112.3
43	V	30.3	Very low	29.3	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	80%	0.799	S	S	*	*				-158.2	126.3	128	172	0	0	0	0	108.9
44	T	24.5	Very low	29	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	80%	0.798	S	S	*	*			trans	-63	133	161.6	24.9	0	0	0	0	112.5
45	T	30.4	Very low	28.7	Very low	136 Å²	136	135.8 Å²	135.8	83%	0.834	79%	0.794	S	S	*	*			trans	-158.3	121.6	145.5	20.4	0	0	0	0	110.8
46	V	24.7	Very low	28.5	Very low	134 Å²	134	136 Å²	136	81%	0.812	80%	0.796	S	S	*	*			trans	-57.4	137.7	159.3	174.7	0	0	0	0	109.3
47	V	30	Very low	28.2	Very low	129 Å²	129	132.9 Å²	132.9	78%	0.782	79%	0.789	S	S	*	*			trans	-166.9	139	135.6	173.1	0	0	0	0	109.1
48	D	24.9	Very low	27.7	Very low	136 Å²	136	138 Å²	138	73%	0.727	80%	0.8	S	S	*	*			trans	-37.6	149.3	173.6	-57.2	-72.7	0	0	0	118.8
49	V	31.9	Very low	27.5	Very low	142 Å²	142	137 Å²	137	86%	0.861	79%	0.793	S	S	*	*			trans	-137.5	123.1	145.5	-174.4	0	0	0	0	109.1
50	P	29.8	Very low	27.3	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	78%	0.783	S	S	*	*			trans	-91	164.6	-177.5	35.5	-33	0	0	0	113.7
51	L	23.9	Very low	27.3	Very low	167 Å²	167	143.9 Å²	143.9	87%	0.874	78%	0.781	S	S	*	*			trans	-55.1	141.2	171.7	-81.2	91.6	0	0	0	113.6
52	H	30.5	Very low	27	Very low	173 Å²	173	141.9 Å²	141.9	80%	0.801	77%	0.773	S	S	*	*			trans	-138	111.3	154	-109.1	-83.2	0	0	0	107.1
53	S	27	Very low	27	Very low	78 Å²	78	139.7 Å²	139.7	55%	0.545	77%	0.765	S	S	.	*				79.3	128.2	92.6	78.5	0	0	0	0	111.3
54	L	27.9	Very low	26.8	Very low	163 Å²	163	138.1 Å²	138.1	85%	0.853	76%	0.76	S	S	*	*				-168	151.2	55.2	-80.2	155.8	0	0	0	110.6
55	T	22.5	Very low	26.9	Very low	117 Å²	117	136.9 Å²	136.9	72%	0.718	76%	0.757	S	S	*	*			trans	-125.5	158.2	157.8	33.3	0	0	0	0	109.6
56	F	25.5	Very low	26.8	Very low	210 Å²	210	140.9 Å²	140.9	92%	0.921	76%	0.757	S	S	*	*			trans	80.4	132.2	174.1	-65.1	-85.2	0	0	0	116.9
57	G	25.1	Very low	26.9	Very low	63 Å²	63	141 Å²	141	65%	0.649	75%	0.753	S	S	*	*			cis	172.1	-174.9	2.5	0	0	0	0	0	112
58	K	27	Very low	26.9	Very low	218 Å²	218	142.1 Å²	142.1	95%	0.948	75%	0.754	S	S	*	*			trans	79.1	154.1	170.2	-57.4	-180	178	179.8	0	116.9
59	S	24.5	Very low	27	Very low	88 Å²	88	140.1 Å²	140.1	62%	0.615	75%	0.751	S	S	*	*			cis	173.5	127.4	-28.1	-177.4	0	0	0	0	105.8
60	Q	26.9	Very low	26.8	Very low	141 Å²	141	139.7 Å²	139.7	66%	0.659	74%	0.744	S	S	*	*			trans	77.6	129.4	137.1	-80.6	-179.9	-7.7	0	0	126.1
61	Y	26.9	Very low	26.8	Very low	181 Å²	181	143.1 Å²	143.1	71%	0.71	75%	0.75	S	S	*	*			trans	68.2	143.4	144	-54.8	-60.9	0	0	0	120.1
62	F	26.7	Very low	27.2	Very low	174 Å²	174	140.8 Å²	140.8	76%	0.763	74%	0.743	S	S	*	*			cis	-157.4	134.7	47.4	-119.2	-110	0	0	0	111.6
63	T	25.7	Very low	27.1	Very low	112 Å²	112	139.2 Å²	139.2	69%	0.687	74%	0.74	S	S	*	*				56.3	147.5	118.4	73.6	0	0	0	0	119
64	S	27.3	Very low	27.3	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	75%	0.75	S	S	*	*			cis	-175.6	131.6	42.5	57.5	0	0	0	0	109.6
65	S	25.6	Very low	27.4	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	74%	0.741	S	S	*	*				73.2	139.7	99.1	75.9	0	0	0	0	120.7
66	R	28.6	Very low	27.8	Very low	221 Å²	221	142.3 Å²	142.3	83%	0.834	74%	0.74	S	S	*	*			trans	116.3	111.2	158.1	-69.1	-173.7	163.5	158.8	-3.1	115.8
67	D	27	Very low	28	Very low	136 Å²	136	138.7 Å²	138.7	73%	0.727	73%	0.73	S	S	*	*				76.6	128.6	85.4	-61.9	-23.2	0	0	0	110.1
68	D	29.5	Very low	28.3	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	74%	0.735	S	S	*	*			cis	-161.6	176.2	48.9	-95.6	-41.7	0	0	0	113.6
69	S	26.5	Very low	28.5	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	72%	0.724	S	S	*	*			trans	-53.2	164	-176	52.4	0	0	0	0	119
70	D	29.4	Very low	28.5	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	73%	0.734	S	S	*	*				-164.1	136.6	76.6	-72.7	-27.3	0	0	0	114.3
71	E	29.5	Very low	28.6	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	75%	0.747	S	S	*	*			trans	35.5	141.8	130.2	-70.9	-178.3	162.9	0	0	121.5
72	V	31	Very low	28.6	Very low	117 Å²	117	144.2 Å²	144.2	71%	0.709	75%	0.752	S	S	*	*				-164.1	136.1	56.1	176.1	0	0	0	0	111
73	D	29.6	Very low	28.7	Very low	141 Å²	141	142 Å²	142	75%	0.754	76%	0.755	S	S	*	*			trans	33.6	149.4	144.5	-51	-33.5	0	0	0	122.6
74	E	31.5	Very low	28.8	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.752	76%	0.761	S	S	*	*			cis	-168.4	124.6	34.4	-146.6	173.5	-173.1	0	0	111.1
75	I	30.2	Very low	28.9	Very low	129 Å²	129	143 Å²	143	66%	0.662	76%	0.764	S	S	*	*				74.7	131.1	123.8	-64.2	-174.9	0	0	0	124.2
76	D	30.6	Very low	29.1	Very low	132 Å²	132	144.5 Å²	144.5	71%	0.706	77%	0.769	S	S	*	*			trans	87.1	136.2	149.3	-76.2	-4.7	0	0	0	123
77	L	29.7	Very low	29	Very low	135 Å²	135	140.1 Å²	140.1	71%	0.707	77%	0.77	S	S	*	*			cis	-177.5	151.1	-22.9	-125.3	176.4	0	0	0	105.9
78	I	31.3	Very low	28.9	Very low	147 Å²	147	140.1 Å²	140.1	75%	0.754	78%	0.775	S	S	*	*			trans	97.8	97.1	152.4	-58.4	157.2	0	0	0	119.5
79	S	29.7	Very low	28.9	Very low	101 Å²	101	138 Å²	138	71%	0.706	77%	0.772	S	S	*	*				77.2	95.6	127	-164	0	0	0	0	119.2
80	Q	26.1	Very low	29	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.822	78%	0.778	S	S	*	*				71	105	73.4	-67.3	-172.5	5.2	0	0	115.7
81	R	27.5	Very low	28.9	Very low	251 Å²	251	140.7 Å²	140.7	95%	0.947	79%	0.785	S	S	*	*				-146.4	125.3	119.6	-96.8	-177.7	-172.2	-169.4	1.3	109.1
82	T	28.6	Very low	28.8	Very low	132 Å²	132	137.9 Å²	137.9	81%	0.81	78%	0.783	S	S	*	*			trans	-83.4	153.5	-175.5	39.9	0	0	0	0	112.7
83	P	27.8	Very low	28.5	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	78%	0.781	S	S	*	*			trans	-96.4	158	168.1	36.8	-28.9	0	0	0	111.3
84	S	28.2	Very low	28.3	Very low	117 Å²	117	137.8 Å²	137.8	82%	0.818	79%	0.789	S	S	*	*			trans	-132.7	142.2	161.2	52.2	0	0	0	0	110.7
85	P	29.1	Very low	28.1	Very low	117 Å²	117	134.2 Å²	134.2	76%	0.76	79%	0.786	S	S	*	*			trans	-103	159.9	-173.5	38.7	-31.6	0	0	0	112.1
86	T	29.1	Very low	27.8	Very low	136 Å²	136	135.5 Å²	135.5	83%	0.834	79%	0.794	S	S	*	*			trans	-165.1	129.1	148.3	13.6	0	0	0	0	113.4
87	C	27	Very low	27.8	Very low	128 Å²	128	139 Å²	139	87%	0.865	80%	0.799	S	S	*	*			trans	72	138.3	142.6	-69.8	0	0	0	0	123.2
88	V	26	Very low	27.7	Very low	137 Å²	137	134.5 Å²	134.5	83%	0.83	79%	0.785	S	S	*	*			trans	-109.1	142.9	-168	170.5	0	0	0	0	110.7
89	S	27.5	Very low	27.6	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	79%	0.791	S	S	*	*			trans	146.9	166.3	133	59.6	0	0	0	0	112.5
90	P	29.7	Very low	27.8	Very low	120 Å²	120	133.7 Å²	133.7	78%	0.779	78%	0.783	S	S	*	*				-122.6	160.1	-62.6	34.7	-19.2	0	0	0	113.1
91	L	27	Very low	28.7	Very low	163 Å²	163	127.8 Å²	127.8	85%	0.853	76%	0.762	S	S	*	*			trans	-61.3	150.6	174.2	-94.3	158.6	0	0	0	112.8
92	P	27.8	Very low	29.7	Very low	122 Å²	122	120.2 Å²	120.2	79%	0.792	75%	0.745	S	S	*	*				-152.6	162.6	75.7	38.3	-17.5	0	0	0	119.5
93	A	24	Very low	30.9	Very low	82 Å²	82	116.3 Å²	116.3	68%	0.678	72%	0.719	S	S	*	*			trans	98.6	122.6	146.6	0	0	0	0	0	121
94	L	26.5	Very low	32.2	Very low	174 Å²	174	118.2 Å²	118.2	91%	0.911	71%	0.714	S	S	*	*	S	Bend	trans	100.3	107.9	153	-69.8	150.2	0	0	0	119.5
95	A	27.1	Very low	33.6	Very low	85 Å²	85	114.3 Å²	114.3	70%	0.702	68%	0.684	S	S	*	*			trans	77	70.1	156.1	0	0	0	0	0	118.9	Y97	A95-Y97 VanDerWaalsContact C-N 3.35Å; A95-Y97 PolarHBondContact O-N 3.19Å; A95-Y97 VanDerWaalsContact O-N 3.09Å
96	D	23.7	Very low	35.7	Very low	156 Å²	156	109.6 Å²	109.6	83%	0.834	66%	0.657	S	S	*	*			trans	-70.8	89.2	154.2	-167.3	13.1	0	0	0	109.4	G98	D96-G98 PolarHBondContact O-N 3.04Å; D96-G98 PolarHBondContact OD1-N 3.25Å
97	Y	29.4	Very low	38.1	Very low	207 Å²	207	103.2 Å²	103.2	81%	0.812	62%	0.618	S	S	*	*			trans	-70.8	78.2	153.6	-87.2	-85.1	0	0	0	107	A95 S99	A95-Y97 VanDerWaalsContact C-N 3.35Å; A95-Y97 PolarHBondContact O-N 3.19Å; A95-Y97 VanDerWaalsContact O-N 3.09Å; Y97-S99 PolarHBondContact O-N 3.11Å
98	G	28.4	Very low	40.8	Very low	40 Å²	40	99.5 Å²	99.5	41%	0.412	59%	0.588	S	S	.	*			trans	-50.3	128.2	172.3	0	0	0	0	0	108.3	D96 I100	D96-G98 PolarHBondContact O-N 3.04Å; D96-G98 PolarHBondContact OD1-N 3.25Å; G98-I100 VanDerWaalsContact C-N 3.31Å; G98-I100 PolarHBondContact O-N 3.47Å
99	S	29.7	Very low	43.4	Very low	124 Å²	124	94.7 Å²	94.7	87%	0.867	57%	0.565	S	S	*	*			trans	-59	94.7	-174.7	76.6	0	0	0	0	109.8	Y97 S101	Y97-S99 PolarHBondContact O-N 3.11Å; S99-S101 PolarHBondContact O-N 2.95Å
100	I	33.4	Very low	46	Very low	106 Å²	106	93.8 Å²	93.8	54%	0.544	55%	0.548	S	S	.	.			trans	-64.1	121.1	169.8	-59.8	176.3	0	0	0	104.3	G98 K104 L105	G98-I100 VanDerWaalsContact C-N 3.31Å; G98-I100 PolarHBondContact O-N 3.47Å; I100-K104 HydrophobicContact CG2-CB 3.42Å; I100-K104 VanDerWaalsContact CG2-CB 3.42Å; I100-K104 HydrophobicContact CG2-CD 4.29Å; I100-K104 HydrophobicContact CG2-CG 4.49Å; I100-L105 HydrophobicContact CB-CD1 4.05Å; I100-L105 HydrophobicContact CG2-CD1 3.62Å
101	S	44.5	Very low	48.6	Very low	53 Å²	53	89.5 Å²	89.5	37%	0.371	52%	0.517	S	S	.	.			trans	-53.9	140.6	177.6	89.3	0	0	0	0	108.5	S99 L103 K104	S99-S101 PolarHBondContact O-N 2.95Å; S101-L103 PolarHBondContact O-N 3.38Å; S101-K104 WeakPolarHBondContact O-CB 3.46Å; S101-K104 PolarHBondContact O-N 3.3Å
102	P	48.3	Very low	51.1	Low	92 Å²	92	85.4 Å²	85.4	60%	0.597	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-51.9	-29.6	-175.2	-25.9	31.6	0	0	0	112.8	K104 Q736	P102-K104 VanDerWaalsContact C-N 3.34Å; P102-K104 PolarHBondContact O-N 3.07Å; P102-Q736 PolarHBondContact O-NE2 3.13Å; P102-Q736 PolarHBondContact O-OE1 3.45Å
103	L	55.1	Low	53.2	Low	50 Å²	50	83.5 Å²	83.5	26%	0.262	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-72.9	-14.7	178.5	-64	171.7	0	0	0	115.2	S101 H108 A529 A530	S101-L103 PolarHBondContact O-N 3.38Å; L103-H108 PolarHBondContact O-CD2 2.99Å; L103-A529 HydrophobicContact CD2-CB 3.9Å; L103-A530 HydrophobicContact CD1-CB 4.18Å; L103-A530 HydrophobicContact CD2-CB 4.12Å
104	K	54.7	Low	55.3	Low	166 Å²	166	80.9 Å²	80.9	72%	0.722	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-87.2	-7.6	179	-83.1	-175	179	-177	0	113.6	I100 S101 P102	I100-K104 HydrophobicContact CG2-CB 3.42Å; I100-K104 VanDerWaalsContact CG2-CB 3.42Å; I100-K104 HydrophobicContact CG2-CD 4.29Å; I100-K104 HydrophobicContact CG2-CG 4.49Å; S101-K104 WeakPolarHBondContact O-CB 3.46Å; S101-K104 PolarHBondContact O-N 3.3Å; P102-K104 VanDerWaalsContact C-N 3.34Å; P102-K104 PolarHBondContact O-N 3.07Å
105	L	58	Low	57.6	Low	35 Å²	35	73 Å²	73	18%	0.183	41%	0.406	C	S	.	.	S	Bend	trans	-87.8	133.2	174.7	-88.7	94.1	0	0	0	111	I100 Q736	I100-L105 HydrophobicContact CB-CD1 4.05Å; I100-L105 HydrophobicContact CG2-CD1 3.62Å; L105-Q736 HydrophobicContact CB-CG 4.2Å
106	G	73.5	Confident	60.2	Low	18 Å²	18	75.5 Å²	75.5	19%	0.186	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	96.9	-153.3	-177.2	0	0	0	0	0	112.7
107	A	79.6	Confident	63.2	Low	2 Å²	2	70.3 Å²	70.3	2%	0.017	37%	0.374	C	S	.	.	S	Bend	trans	-101.8	11.5	-176.1	0	0	0	0	0	113.9	G109 K110 I525 R734 W765	A107-G109 PolarHBondContact O-N 3.05Å; A107-K110 HydrophobicContact CB-CB 4.33Å; A107-K110 HydrophobicContact CB-CD 4.21Å; A107-K110 VanDerWaalsContact O-CB 3.28Å; A107-K110 WeakPolarHBondContact O-CB 3.33Å; A107-K110 PolarHBondContact O-N 3.23Å; A107-I525 HydrophobicContact CB-CD1 3.59Å; A107-I525 HydrophobicContact CB-CG2 4.22Å; A107-I525 WeakPolarHBondContact O-CB 3.08Å; A107-R734 HydrophobicContact CB-CB 4.16Å; A107-R734 PolarHBondContact N-O 2.83Å; A107-W765 HydrophobicContact CB-CE3 4.28Å; A107-W765 HydrophobicContact CB-CZ3 4.06Å
108	H	82.7	Confident	66.1	Low	50 Å²	50	61.5 Å²	61.5	23%	0.231	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	128.4	176.2	178.7	47	0	0	0	111.5	L103 K110 Y526 D527	L103-H108 PolarHBondContact O-CD2 2.99Å; H108-K110 PolarHBondContact O-N 3.12Å; H108-Y526 AromaticContact CE1-CD2 3.71Å; H108-Y526 AromaticContact CE1-CE2 3.93Å; H108-D527 HydrophobicContact CB-CB 4.16Å; H108-D527 PolarHBondContact ND1-N 2.99Å
109	G	79.9	Confident	68.9	Low	35 Å²	35	59.7 Å²	59.7	36%	0.361	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-4.3	-177.3	0	0	0	0	0	114.2	A107 I525	A107-G109 PolarHBondContact O-N 3.05Å; G109-I525 PolarHBondContact N-O 2.87Å
110	K	83.5	Confident	71.7	Confident	90 Å²	90	57.8 Å²	57.8	39%	0.391	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-79.4	143.7	168.8	-61.7	-172	179.6	174.2	0	109.5	A107 H108 I525 E762	A107-K110 HydrophobicContact CB-CB 4.33Å; A107-K110 HydrophobicContact CB-CD 4.21Å; A107-K110 VanDerWaalsContact O-CB 3.28Å; A107-K110 WeakPolarHBondContact O-CB 3.33Å; A107-K110 PolarHBondContact O-N 3.23Å; H108-K110 PolarHBondContact O-N 3.12Å; K110-I525 PolarHBondContact O-N 3.46Å; K110-E762 IonicContact NZ-OE1 3.75Å; K110-E762 PolarHBondContact NZ-OE1 2.97Å
111	F	83.9	Confident	74.4	Confident	30 Å²	30	56.5 Å²	56.5	13%	0.132	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-82.7	142.9	167.4	-71.8	-88.4	0	0	0	109.3	L115 I332 S333 F335 G523 E524	F111-L115 HydrophobicContact CD1-CD1 4.44Å; F111-I332 HydrophobicContact CD1-CD1 4.47Å; F111-I332 HydrophobicContact CD1-CG2 3.99Å; F111-I332 HydrophobicContact CD2-CB 4.27Å; F111-I332 HydrophobicContact CD2-CD1 4.41Å; F111-I332 HydrophobicContact CD2-CG2 4.01Å; F111-I332 HydrophobicContact CE1-CG2 3.47Å; F111-I332 VanDerWaalsContact CE1-CG2 3.47Å; F111-I332 HydrophobicContact CE2-CB 4.02Å; F111-I332 HydrophobicContact CE2-CG2 3.51Å; F111-I332 HydrophobicContact CG-CD1 4.21Å; F111-I332 HydrophobicContact CG-CG2 4.25Å; F111-I332 HydrophobicContact CZ-CB 4.24Å; F111-I332 HydrophobicContact CZ-CG2 3.23Å; F111-S333 WeakPolarHBondContact CZ-O 3.22Å; F111-F335 AromaticContact CE1-CD2 3.7Å; F111-F335 HydrophobicContact CE1-CD2 3.7Å; F111-F335 AromaticContact CE1-CE2 3.57Å; F111-F335 HydrophobicContact CE1-CE2 3.57Å; F111-F335 AromaticContact CZ-CD2 3.83Å; F111-F335 HydrophobicContact CZ-CD2 3.83Å; F111-F335 AromaticContact CZ-CE2 3.92Å; F111-F335 HydrophobicContact CZ-CE2 3.92Å; F111-G523 WeakPolarHBondContact CA-O 3.27Å; F111-E524 HydrophobicContact CD1-CB 3.92Å; F111-E524 HydrophobicContact CE1-CB 3.51Å; F111-E524 HydrophobicContact CE1-CG 4.26Å; F111-E524 HydrophobicContact CE2-CG 4.49Å; F111-E524 HydrophobicContact CZ-CB 3.85Å; F111-E524 HydrophobicContact CZ-CG 4.11Å
112	R	79.4	Confident	76.8	Confident	76 Å²	76	54.5 Å²	54.5	29%	0.287	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-58	144.1	169.5	-73.3	152	160	-112.4	8	109.7	F114 L115 G523 I525 D769 E772	R112-F114 HydrophobicContact CB-CD2 3.28Å; R112-F114 HydrophobicContact CB-CE2 3.25Å; R112-F114 HydrophobicContact CB-CG 4.48Å; R112-F114 HydrophobicContact CB-CZ 4.41Å; R112-F114 HydrophobicContact CG-CD2 4.34Å; R112-F114 HydrophobicContact CG-CE2 3.89Å; R112-F114 PolarHBondContact O-N 3.35Å; R112-L115 PolarHBondContact O-N 3.47Å; R112-L115 VanDerWaalsContact O-N 3.11Å; R112-G523 PolarHBondContact N-O 3.35Å; R112-I525 HydrophobicContact CG-CD1 4.24Å; R112-I525 HydrophobicContact CG-CG1 4.15Å; R112-D769 WeakPolarHBondContact CA-OD2 3.33Å; R112-E772 IonicContact NH1-OE2 2.71Å; R112-E772 PolarHBondContact NH1-OE2 3.21Å
113	N	71.1	Confident	78.7	Confident	83 Å²	83	54.2 Å²	54.2	44%	0.444	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-0.6	-168.5	-73.2	-10.3	0	0	0	116	L115 N766 D769	N113-L115 PolarHBondContact O-N 2.86Å; N113-N766 VanDerWaalsContact ND2-CA 3.31Å; N113-N766 WeakPolarHBondContact ND2-CA 3.5Å; N113-N766 VanDerWaalsContact ND2-CB 3.29Å; N113-N766 WeakPolarHBondContact ND2-CB 3.24Å; N113-N766 PolarHBondContact ND2-OD1 2.82Å; N113-D769 HydrophobicContact CB-CB 3.72Å; N113-D769 PolarHBondContact N-OD2 2.81Å
114	F	69.3	Low	80	Confident	27 Å²	27	53.2 Å²	53.2	12%	0.118	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.3	165.4	-42.6	-70.5	0	0	0	112.6	R112 P313 D769 E772 S773 M776	R112-F114 HydrophobicContact CB-CD2 3.28Å; R112-F114 HydrophobicContact CB-CE2 3.25Å; R112-F114 HydrophobicContact CB-CG 4.48Å; R112-F114 HydrophobicContact CB-CZ 4.41Å; R112-F114 HydrophobicContact CG-CD2 4.34Å; R112-F114 HydrophobicContact CG-CE2 3.89Å; R112-F114 PolarHBondContact O-N 3.35Å; F114-P313 HydrophobicContact CB-CB 4.07Å; F114-D769 WeakPolarHBondContact CD1-O 3.16Å; F114-D769 HydrophobicContact CE1-CB 4.38Å; F114-D769 WeakPolarHBondContact CE1-O 3.44Å; F114-D769 HydrophobicContact CE2-CB 4.47Å; F114-D769 HydrophobicContact CZ-CB 4.11Å; F114-E772 HydrophobicContact CE1-CB 3.42Å; F114-E772 VanDerWaalsContact CE1-CB 3.42Å; F114-E772 HydrophobicContact CZ-CB 3.56Å; F114-E772 WeakPolarHBondContact CZ-OE2 3.34Å; F114-S773 VanDerWaalsContact CD1-CB 3.49Å; F114-S773 VanDerWaalsContact CE1-N 3.27Å; F114-M776 HydrophobicContact CB-CE 4.26Å; F114-M776 HydrophobicContact CD1-CE 3.64Å; F114-M776 HydrophobicContact CE1-CE 4.25Å; F114-M776 HydrophobicContact CG-CE 4.02Å
115	L	74.9	Confident	81.3	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.047	29%	0.291	C	S	.	.	S	Bend	trans	-124.1	93.6	-173.4	-62.6	177.6	0	0	0	110.4	F111 R112 N113 D117 L166 P313 V316 L330 I332	F111-L115 HydrophobicContact CD1-CD1 4.44Å; R112-L115 PolarHBondContact O-N 3.47Å; R112-L115 VanDerWaalsContact O-N 3.11Å; N113-L115 PolarHBondContact O-N 2.86Å; L115-D117 PolarHBondContact O-N 3.07Å; L115-L166 HydrophobicContact CD1-CD2 4.27Å; L115-P313 HydrophobicContact CD1-CB 4.22Å; L115-P313 HydrophobicContact CD1-CG 3.92Å; L115-P313 HydrophobicContact CD2-CB 4.38Å; L115-P313 HydrophobicContact CG-CB 4.17Å; L115-P313 HydrophobicContact CG-CG 4.32Å; L115-V316 HydrophobicContact CD2-CB 3.85Å; L115-V316 HydrophobicContact CD2-CG1 3.81Å; L115-V316 HydrophobicContact CD2-CG2 4.01Å; L115-L330 HydrophobicContact CB-CD2 4.03Å; L115-L330 HydrophobicContact CD2-CD2 3.96Å; L115-I332 HydrophobicContact CB-CD1 3.49Å; L115-I332 VanDerWaalsContact CB-CD1 3.49Å; L115-I332 HydrophobicContact CD1-CD1 4.19Å; L115-I332 HydrophobicContact CG-CD1 4.39Å
116	H	81	Confident	82.8	Confident	137 Å²	137	55.1 Å²	55.1	63%	0.634	32%	0.323	S	S	*	.			trans	-77.2	112.7	175.9	-177.5	-81.2	0	0	0	110.7	L330	H116-L330 WeakPolarHBondContact O-CB 3.48Å
117	D	86.7	Confident	83.6	Confident	46 Å²	46	57.2 Å²	57.2	25%	0.246	33%	0.326	C	S	.	.			trans	-80.6	118	176.3	180	15.4	0	0	0	111	L115 S119 K149 I332	L115-D117 PolarHBondContact O-N 3.07Å; D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 VanDerWaalsContact CG-OG 3.25Å; D117-S119 PolarHBondContact O-N 3.46Å; D117-S119 VanDerWaalsContact OD1-CB 3.3Å; D117-S119 WeakPolarHBondContact OD1-CB 3.3Å; D117-S119 PolarHBondContact OD1-N 3.35Å; D117-S119 VanDerWaalsContact OD1-N 3.07Å; D117-S119 PolarHBondContact OD1-OG 2.88Å; D117-S119 PolarHBondContact OD2-OG 3.09Å; D117-K149 IonicContact OD2-NZ 2.87Å; D117-K149 PolarHBondContact OD2-NZ 2.95Å; D117-I332 HydrophobicContact CB-CD1 4.36Å; D117-I332 HydrophobicContact CB-CG1 4.41Å
118	D	90.7	Very high	84.2	Confident	23 Å²	23	62.6 Å²	62.6	12%	0.123	37%	0.37	C	S	.	.			trans	-80.8	-1.6	-178.5	-73.9	-86	0	0	0	113.6	A120 S121 F122 K329 L330	D118-A120 PolarHBondContact O-N 3.49Å; D118-A120 VanDerWaalsContact O-N 3.08Å; D118-S121 PolarHBondContact O-N 3.36Å; D118-S121 VanDerWaalsContact O-N 3.15Å; D118-F122 HydrophobicContact CB-CE2 4.27Å; D118-F122 WeakPolarHBondContact O-CD2 3.12Å; D118-K329 HydrophobicContact CB-CB 4.14Å; D118-K329 HydrophobicContact CB-CD 3.98Å; D118-K329 WeakPolarHBondContact OD1-CD 3.4Å; D118-K329 IonicContact OD1-NZ 3.78Å; D118-K329 PolarHBondContact OD1-NZ 2.96Å; D118-K329 WeakPolarHBondContact OD2-CA 3.15Å; D118-L330 PolarHBondContact N-O 3.35Å; D118-L330 PolarHBondContact OD2-N 2.91Å
119	S	87.6	Confident	84.8	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.014	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-51.8	-37.2	-171.7	-66.1	0	0	0	0	115	D117 S121 F122 K149	D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 VanDerWaalsContact CG-OG 3.25Å; D117-S119 PolarHBondContact O-N 3.46Å; D117-S119 VanDerWaalsContact OD1-CB 3.3Å; D117-S119 WeakPolarHBondContact OD1-CB 3.3Å; D117-S119 PolarHBondContact OD1-N 3.35Å; D117-S119 VanDerWaalsContact OD1-N 3.07Å; D117-S119 PolarHBondContact OD1-OG 2.88Å; D117-S119 PolarHBondContact OD2-OG 3.09Å; S119-S121 PolarHBondContact O-N 3.26Å; S119-S121 VanDerWaalsContact O-N 3.08Å; S119-F122 PolarHBondContact O-N 2.94Å; S119-K149 WeakPolarHBondContact OG-CD 3.33Å; S119-K149 PolarHBondContact OG-NZ 3.39Å
120	A	88.6	Confident	85.4	Confident	83 Å²	83	60 Å²	60	69%	0.686	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-55	-32.6	-176.4	0	0	0	0	0	112.8	D118 F122 T123	D118-A120 PolarHBondContact O-N 3.49Å; D118-A120 VanDerWaalsContact O-N 3.08Å; A120-F122 PolarHBondContact O-N 2.92Å; A120-T123 PolarHBondContact O-OG1 2.92Å
121	S	90	Very high	85.8	Confident	80 Å²	80	57.9 Å²	57.9	56%	0.559	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-74.3	-11.1	-179.5	-56.5	0	0	0	0	113.8	D118 S119 Y127	D118-S121 PolarHBondContact O-N 3.36Å; D118-S121 VanDerWaalsContact O-N 3.15Å; S119-S121 PolarHBondContact O-N 3.26Å; S119-S121 VanDerWaalsContact O-N 3.08Å; S121-Y127 PolarHBondContact O-OH 3.42Å
122	F	93.4	Very high	86.3	Confident	11 Å²	11	59.2 Å²	59.2	5%	0.048	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-126.5	13.6	-168.1	-59.1	-74.6	0	0	0	114.3	D118 S119 A120 G124 E152 N155 A156 L159 H161 K329 F331	D118-F122 HydrophobicContact CB-CE2 4.27Å; D118-F122 WeakPolarHBondContact O-CD2 3.12Å; S119-F122 PolarHBondContact O-N 2.94Å; A120-F122 PolarHBondContact O-N 2.92Å; F122-G124 VanDerWaalsContact C-N 3.34Å; F122-G124 PolarHBondContact O-N 3.29Å; F122-E152 HydrophobicContact CB-CB 3.97Å; F122-E152 WeakPolarHBondContact CB-O 3.44Å; F122-N155 HydrophobicContact CB-CB 4.21Å; F122-N155 PolarHBondContact O-ND2 3.19Å; F122-A156 HydrophobicContact CD1-CB 3.8Å; F122-A156 HydrophobicContact CD2-CB 4.1Å; F122-A156 HydrophobicContact CE1-CB 3.7Å; F122-A156 HydrophobicContact CE2-CB 3.99Å; F122-A156 HydrophobicContact CG-CB 4Å; F122-A156 HydrophobicContact CZ-CB 3.79Å; F122-L159 HydrophobicContact CD1-CD1 4.07Å; F122-L159 HydrophobicContact CE1-CD1 3.89Å; F122-H161 AromaticContact CE1-CD2 3.89Å; F122-H161 AromaticContact CZ-CD2 3.93Å; F122-K329 HydrophobicContact CE2-CB 4.38Å; F122-K329 HydrophobicContact CE2-CD 4.12Å; F122-K329 HydrophobicContact CE2-CG 4Å; F122-K329 HydrophobicContact CZ-CD 4.27Å; F122-K329 HydrophobicContact CZ-CG 4.01Å; F122-F331 HydrophobicContact CB-CE1 4.5Å; F122-F331 AromaticContact CD2-CE1 3.73Å; F122-F331 HydrophobicContact CD2-CE1 3.73Å; F122-F331 AromaticContact CD2-CZ 3.7Å; F122-F331 HydrophobicContact CD2-CZ 3.7Å; F122-F331 HydrophobicContact CE2-CE1 4.38Å; F122-F331 AromaticContact CE2-CZ 3.96Å; F122-F331 HydrophobicContact CE2-CZ 3.96Å; F122-F331 HydrophobicContact CG-CE1 4.4Å; F122-F331 HydrophobicContact CG-CZ 4.38Å
123	T	88.2	Confident	87	Confident	85 Å²	85	55.8 Å²	55.8	52%	0.521	35%	0.353	S	S	.	.			trans	-72.6	-22.4	-177.9	53	0	0	0	0	114.2	A120 E152	A120-T123 PolarHBondContact O-OG1 2.92Å; T123-E152 HydrophobicContact CG2-CG 4.01Å
124	G	82.5	Confident	88	Confident	30 Å²	30	54.3 Å²	54.3	31%	0.309	35%	0.348	S	S	.	.			trans	-64.3	155.9	-175.8	0	0	0	0	0	114.8	F122 Y127 N155	F122-G124 VanDerWaalsContact C-N 3.34Å; F122-G124 PolarHBondContact O-N 3.29Å; G124-Y127 WeakPolarHBondContact O-CD2 3.36Å; G124-Y127 WeakPolarHBondContact O-CE2 3.29Å; G124-N155 PolarHBondContact O-ND2 2.71Å
125	S	83.7	Confident	89.3	Confident	83 Å²	83	57 Å²	57	58%	0.58	37%	0.366	S	S	*	.	S	Bend	trans	-110.6	14.2	172.3	56.6	0	0	0	0	113	Y127 S130	S125-Y127 VanDerWaalsContact C-N 3.33Å; S125-Y127 PolarHBondContact O-N 3.4Å; S125-S130 VanDerWaalsContact C-OG 3.3Å; S125-S130 WeakPolarHBondContact O-CB 3.26Å; S125-S130 PolarHBondContact O-OG 3.38Å; S125-S130 VanDerWaalsContact O-OG 3.04Å
126	N	88.2	Confident	90.2	Very high	157 Å²	157	57.4 Å²	57.4	84%	0.84	37%	0.37	S	S	*	.			trans	-99.5	31.8	-173.9	-63.7	-5.2	0	0	0	111.8
127	Y	91.4	Very high	90.9	Very high	63 Å²	63	51 Å²	51	25%	0.247	34%	0.341	C	S	.	.	S	Bend	trans	-94.6	153.2	176.2	-57.2	-76.9	0	0	0	110.7	S121 G124 S125 H129 S130 N155 L159	S121-Y127 PolarHBondContact O-OH 3.42Å; G124-Y127 WeakPolarHBondContact O-CD2 3.36Å; G124-Y127 WeakPolarHBondContact O-CE2 3.29Å; S125-Y127 VanDerWaalsContact C-N 3.33Å; S125-Y127 PolarHBondContact O-N 3.4Å; Y127-H129 WeakPolarHBondContact CB-CE1 3.43Å; Y127-H129 AromaticContact CG-CE1 3.6Å; Y127-H129 AromaticContact CG-NE2 3.94Å; Y127-H129 PolarHBondContact O-N 2.95Å; Y127-H129 VanDerWaalsContact O-N 3.11Å; Y127-S130 WeakPolarHBondContact CB-OG 3.38Å; Y127-S130 PolarHBondContact N-OG 3.35Å; Y127-S130 WeakPolarHBondContact O-CB 3.34Å; Y127-S130 PolarHBondContact O-N 3.1Å; Y127-S130 PolarHBondContact O-OG 3.11Å; Y127-N155 HydrophobicContact CD2-CB 4.35Å; Y127-N155 HydrophobicContact CE2-CB 4.01Å; Y127-N155 WeakPolarHBondContact CE2-ND2 3.48Å; Y127-L159 HydrophobicContact CD1-CD1 4.28Å; Y127-L159 HydrophobicContact CD1-CD2 4.26Å; Y127-L159 HydrophobicContact CE1-CD1 3.85Å
128	A	92.7	Very high	91.3	Very high	114 Å²	114	56.4 Å²	56.4	94%	0.942	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31	177.5	0	0	0	0	0	112.9
129	H	93.4	Very high	91.5	Very high	22 Å²	22	60.2 Å²	60.2	10%	0.102	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.1	177.9	59.9	-93.5	0	0	0	114.7	Y127 G131 S132 M133 N155 M158	Y127-H129 WeakPolarHBondContact CB-CE1 3.43Å; Y127-H129 AromaticContact CG-CE1 3.6Å; Y127-H129 AromaticContact CG-NE2 3.94Å; Y127-H129 PolarHBondContact O-N 2.95Å; Y127-H129 VanDerWaalsContact O-N 3.11Å; H129-G131 VanDerWaalsContact C-N 3.32Å; H129-G131 PolarHBondContact O-N 3.33Å; H129-S132 PolarHBondContact O-N 3.21Å; H129-S132 PolarHBondContact O-OG 3.43Å; H129-S132 VanDerWaalsContact O-OG 3.05Å; H129-M133 WeakPolarHBondContact O-CB 3.38Å; H129-M133 PolarHBondContact O-N 3.32Å; H129-N155 PolarHBondContact NE2-OD1 3.39Å; H129-M158 HydrophobicContact CB-CE 3.76Å
130	S	93	Very high	91.8	Very high	8 Å²	8	62 Å²	62	6%	0.056	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-36.6	-171.3	-64.6	0	0	0	0	113.2	S125 Y127 T134	S125-S130 VanDerWaalsContact C-OG 3.3Å; S125-S130 WeakPolarHBondContact O-CB 3.26Å; S125-S130 PolarHBondContact O-OG 3.38Å; S125-S130 VanDerWaalsContact O-OG 3.04Å; Y127-S130 WeakPolarHBondContact CB-OG 3.38Å; Y127-S130 PolarHBondContact N-OG 3.35Å; Y127-S130 WeakPolarHBondContact O-CB 3.34Å; Y127-S130 PolarHBondContact O-N 3.1Å; Y127-S130 PolarHBondContact O-OG 3.11Å; S130-T134 WeakPolarHBondContact O-CB 3.49Å; S130-T134 PolarHBondContact O-N 2.95Å; S130-T134 PolarHBondContact O-OG1 2.84Å
131	G	93.1	Very high	92.1	Very high	47 Å²	47	59.2 Å²	59.2	49%	0.485	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-54.5	175.7	0	0	0	0	0	112.6	H129 M133 T134 T135	H129-G131 VanDerWaalsContact C-N 3.32Å; H129-G131 PolarHBondContact O-N 3.33Å; G131-M133 VanDerWaalsContact C-N 3.28Å; G131-M133 PolarHBondContact O-N 2.94Å; G131-T134 PolarHBondContact O-N 3.22Å; G131-T135 PolarHBondContact O-N 3.45Å; G131-T135 PolarHBondContact O-OG1 3.43Å; G131-T135 VanDerWaalsContact O-OG1 3.12Å
132	S	93.8	Very high	92.2	Very high	57 Å²	57	58.3 Å²	58.3	40%	0.399	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-35.2	-179.8	59.2	0	0	0	0	112.6	H129 S136	H129-S132 PolarHBondContact O-N 3.21Å; H129-S132 PolarHBondContact O-OG 3.43Å; H129-S132 VanDerWaalsContact O-OG 3.05Å; S132-S136 WeakPolarHBondContact O-CB 3.47Å; S132-S136 PolarHBondContact O-N 3.08Å; S132-S136 PolarHBondContact O-OG 3.1Å
133	M	94.2	Very high	92.1	Very high	4 Å²	4	61 Å²	61	2%	0.02	38%	0.383	C	S	.	.	H	α-helix	trans	-63.1	-48	174.6	-176.2	-162.2	60.3	0	0	111.7	H129 G131 S136 L137 F146 L151 I154 L179 L183	H129-M133 WeakPolarHBondContact O-CB 3.38Å; H129-M133 PolarHBondContact O-N 3.32Å; G131-M133 VanDerWaalsContact C-N 3.28Å; G131-M133 PolarHBondContact O-N 2.94Å; M133-S136 PolarHBondContact O-N 3.08Å; M133-L137 WeakPolarHBondContact O-CB 3.42Å; M133-L137 PolarHBondContact O-N 3.37Å; M133-F146 HydrophobicContact CE-CE2 3.64Å; M133-F146 HydrophobicContact CE-CZ 3.75Å; M133-F146 HydrophobicContact CG-CZ 3.87Å; M133-F146 HydrophobicContact SD-CE2 4.17Å; M133-F146 HydrophobicContact SD-CZ 3.67Å; M133-L151 HydrophobicContact CE-CD1 3.51Å; M133-L151 HydrophobicContact SD-CD1 4.07Å; M133-I154 HydrophobicContact CG-CG2 4.16Å; M133-I154 HydrophobicContact SD-CB 4.44Å; M133-I154 HydrophobicContact SD-CG2 3.56Å; M133-I154 VanDerWaalsContact SD-CG2 3.56Å; M133-L179 HydrophobicContact CG-CD2 3.56Å; M133-L179 HydrophobicContact CG-CG 4.34Å; M133-L183 HydrophobicContact CB-CD1 3.94Å; M133-L183 HydrophobicContact CG-CD1 4.23Å
134	T	92.8	Very high	92.2	Very high	53 Å²	53	65.9 Å²	65.9	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-41.2	178.5	-56.3	0	0	0	0	111.6	S130 G131 L137 R138	S130-T134 WeakPolarHBondContact O-CB 3.49Å; S130-T134 PolarHBondContact O-N 2.95Å; S130-T134 PolarHBondContact O-OG1 2.84Å; G131-T134 PolarHBondContact O-N 3.22Å; T134-L137 PolarHBondContact O-N 3.03Å; T134-R138 PolarHBondContact O-N 3.15Å
135	T	95	Very high	92.7	Very high	83 Å²	83	71.9 Å²	71.9	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-52.6	175.4	-60.2	0	0	0	0	110.7	G131 L137 R138 T139	G131-T135 PolarHBondContact O-N 3.45Å; G131-T135 PolarHBondContact O-OG1 3.43Å; G131-T135 VanDerWaalsContact O-OG1 3.12Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L137 PolarHBondContact O-N 3.45Å; T135-R138 PolarHBondContact O-N 3.3Å; T135-R138 VanDerWaalsContact O-N 3.1Å; T135-T139 HydrophobicContact CG2-CG2 4.13Å; T135-T139 WeakPolarHBondContact O-CG2 3.28Å; T135-T139 PolarHBondContact O-N 3.42Å; T135-T139 PolarHBondContact O-OG1 3.09Å
136	S	94.4	Very high	93.1	Very high	18 Å²	18	69.9 Å²	69.9	13%	0.126	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-33.7	-177.8	-59.7	0	0	0	0	112.7	S132 M133 R138 V140 F141 L183	S132-S136 WeakPolarHBondContact O-CB 3.47Å; S132-S136 PolarHBondContact O-N 3.08Å; S132-S136 PolarHBondContact O-OG 3.1Å; M133-S136 PolarHBondContact O-N 3.08Å; S136-R138 VanDerWaalsContact C-N 3.28Å; S136-R138 PolarHBondContact O-N 3.02Å; S136-V140 WeakPolarHBondContact O-CA 3.28Å; S136-V140 VanDerWaalsContact O-CB 3.29Å; S136-V140 WeakPolarHBondContact O-CB 3.4Å; S136-V140 PolarHBondContact O-N 3.18Å; S136-F141 PolarHBondContact O-N 3.21Å; S136-L183 VanDerWaalsContact OG-CD2 3.26Å; S136-L183 WeakPolarHBondContact OG-CD2 3.3Å
137	L	95.2	Very high	93.2	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-43.8	172.9	-176.8	72.9	0	0	0	111.5	M133 T134 T135 F141 G142 L143 F146 L175 L179	M133-L137 WeakPolarHBondContact O-CB 3.42Å; M133-L137 PolarHBondContact O-N 3.37Å; T134-L137 PolarHBondContact O-N 3.03Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L137 PolarHBondContact O-N 3.45Å; L137-F141 CarbonylContact O-C 3.57Å; L137-F141 WeakPolarHBondContact O-CB 3.35Å; L137-G142 PolarHBondContact O-N 2.69Å; L137-L143 HydrophobicContact CD1-CB 3.77Å; L137-L143 HydrophobicContact CD1-CD1 3.97Å; L137-L143 HydrophobicContact CD1-CG 4.45Å; L137-L143 HydrophobicContact CG-CB 3.92Å; L137-L143 PolarHBondContact O-N 2.81Å; L137-F146 HydrophobicContact CB-CZ 4.4Å; L137-F146 HydrophobicContact CD1-CD1 4.21Å; L137-F146 HydrophobicContact CD1-CE1 3.75Å; L137-F146 HydrophobicContact CD1-CZ 4.18Å; L137-F146 HydrophobicContact CD2-CD1 4.2Å; L137-F146 HydrophobicContact CD2-CD2 4.03Å; L137-F146 HydrophobicContact CD2-CE1 3.93Å; L137-F146 HydrophobicContact CD2-CE2 3.74Å; L137-F146 HydrophobicContact CD2-CG 4.25Å; L137-F146 HydrophobicContact CD2-CZ 3.69Å; L137-F146 HydrophobicContact CG-CE1 4.35Å; L137-F146 HydrophobicContact CG-CZ 4.3Å; L137-L175 HydrophobicContact CD1-CD1 4.39Å; L137-L175 HydrophobicContact CD1-CD2 3.85Å; L137-L179 HydrophobicContact CD1-CD2 4.39Å
138	R	94.8	Very high	93	Very high	159 Å²	159	71.7 Å²	71.7	60%	0.6	40%	0.397	S	S	*	.	H	α-helix	trans	-79.5	-46.3	-178.4	-68.5	178.9	178.9	-176.1	1.5	112.6	T134 T135 S136 G142	T134-R138 PolarHBondContact O-N 3.15Å; T135-R138 PolarHBondContact O-N 3.3Å; T135-R138 VanDerWaalsContact O-N 3.1Å; S136-R138 VanDerWaalsContact C-N 3.28Å; S136-R138 PolarHBondContact O-N 3.02Å; R138-G142 VanDerWaalsContact O-CA 3.29Å; R138-G142 WeakPolarHBondContact O-CA 3.26Å; R138-G142 PolarHBondContact O-N 3.17Å
139	T	95.3	Very high	92.9	Very high	102 Å²	102	67.7 Å²	67.7	63%	0.626	36%	0.358	S	S	*	.	H	α-helix	trans	-83.4	-39.9	-171.5	59.4	0	0	0	0	113.2	T135	T135-T139 HydrophobicContact CG2-CG2 4.13Å; T135-T139 WeakPolarHBondContact O-CG2 3.28Å; T135-T139 PolarHBondContact O-N 3.42Å; T135-T139 PolarHBondContact O-OG1 3.09Å
140	V	94.5	Very high	93	Very high	40 Å²	40	66.9 Å²	66.9	24%	0.242	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-46.3	-177.7	-177.4	0	0	0	0	110.9	S136 L208 V210	S136-V140 WeakPolarHBondContact O-CA 3.28Å; S136-V140 VanDerWaalsContact O-CB 3.29Å; S136-V140 WeakPolarHBondContact O-CB 3.4Å; S136-V140 PolarHBondContact O-N 3.18Å; V140-L208 WeakPolarHBondContact O-CD2 3.31Å; V140-V210 HydrophobicContact CG1-CG2 3.85Å
141	F	94.6	Very high	93.1	Very high	25 Å²	25	68.2 Å²	68.2	11%	0.11	36%	0.361	C	S	.	.	S	Bend	trans	-94.7	-10.9	-175.3	-67.3	-87.3	0	0	0	114	S136 L137 L143 L175 Q178 L179 V182 M205 L208	S136-F141 PolarHBondContact O-N 3.21Å; L137-F141 CarbonylContact O-C 3.57Å; L137-F141 WeakPolarHBondContact O-CB 3.35Å; F141-L143 HydrophobicContact CB-CD1 4.2Å; F141-L143 HydrophobicContact CB-CG 4.15Å; F141-L143 PolarHBondContact O-N 3.26Å; F141-L175 HydrophobicContact CB-CD1 4.45Å; F141-L175 HydrophobicContact CD1-CD1 3.75Å; F141-L175 HydrophobicContact CD2-CD1 4.22Å; F141-L175 HydrophobicContact CE1-CD1 3.98Å; F141-L175 HydrophobicContact CE2-CD1 4.44Å; F141-L175 HydrophobicContact CG-CD1 3.87Å; F141-L175 HydrophobicContact CZ-CD1 4.32Å; F141-Q178 HydrophobicContact CE1-CB 3.96Å; F141-Q178 HydrophobicContact CZ-CB 3.9Å; F141-L179 HydrophobicContact CD2-CD1 3.86Å; F141-L179 HydrophobicContact CE2-CB 4.06Å; F141-L179 HydrophobicContact CE2-CD1 3.59Å; F141-L179 HydrophobicContact CE2-CG 4.45Å; F141-L179 HydrophobicContact CZ-CB 4.43Å; F141-V182 HydrophobicContact CE2-CG2 4.26Å; F141-V182 HydrophobicContact CZ-CG2 4.21Å; F141-M205 HydrophobicContact CE1-CE 4.23Å; F141-M205 HydrophobicContact CE1-SD 4.37Å; F141-M205 HydrophobicContact CZ-CE 4.19Å; F141-L208 HydrophobicContact CD1-CD1 3.81Å; F141-L208 HydrophobicContact CE1-CD1 4.03Å
142	G	92.9	Very high	93.2	Very high	61 Å²	61	67.4 Å²	67.4	63%	0.629	34%	0.344	S	S	*	.			trans	66.2	20.1	-179.4	0	0	0	0	0	114.1	L137 R138	L137-G142 PolarHBondContact O-N 2.69Å; R138-G142 VanDerWaalsContact O-CA 3.29Å; R138-G142 WeakPolarHBondContact O-CA 3.26Å; R138-G142 PolarHBondContact O-N 3.17Å
143	L	91.4	Very high	93.3	Very high	68 Å²	68	64.7 Å²	64.7	36%	0.356	33%	0.325	S	S	.	.			trans	-99.8	135.7	-176.1	-62.5	177	0	0	0	111	L137 F141 L175	L137-L143 HydrophobicContact CD1-CB 3.77Å; L137-L143 HydrophobicContact CD1-CD1 3.97Å; L137-L143 HydrophobicContact CD1-CG 4.45Å; L137-L143 HydrophobicContact CG-CB 3.92Å; L137-L143 PolarHBondContact O-N 2.81Å; F141-L143 HydrophobicContact CB-CD1 4.2Å; F141-L143 HydrophobicContact CB-CG 4.15Å; F141-L143 PolarHBondContact O-N 3.26Å; L143-L175 HydrophobicContact CD1-CD1 4.16Å; L143-L175 HydrophobicContact CD1-CD2 3.76Å
144	K	90.5	Very high	93.4	Very high	187 Å²	187	64.5 Å²	64.5	81%	0.813	32%	0.324	S	S	*	.	S	Bend	trans	-78.6	-39.4	-178.9	-64.6	-175.4	179.3	-177.9	0	113
145	Q	92	Very high	93.6	Very high	156 Å²	156	62 Å²	62	73%	0.729	31%	0.309	S	S	*	.	S	Bend	trans	-147.2	156.4	-173.8	66.2	-172.4	53.9	0	0	111.2
146	F	91.8	Very high	93.7	Very high	40 Å²	40	58 Å²	58	18%	0.175	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.4	145.3	170.1	-66.9	-73.4	0	0	0	110.8	M133 L137 Q150 L151 I154 L175 L179	M133-F146 HydrophobicContact CE-CE2 3.64Å; M133-F146 HydrophobicContact CE-CZ 3.75Å; M133-F146 HydrophobicContact CG-CZ 3.87Å; M133-F146 HydrophobicContact SD-CE2 4.17Å; M133-F146 HydrophobicContact SD-CZ 3.67Å; L137-F146 HydrophobicContact CB-CZ 4.4Å; L137-F146 HydrophobicContact CD1-CD1 4.21Å; L137-F146 HydrophobicContact CD1-CE1 3.75Å; L137-F146 HydrophobicContact CD1-CZ 4.18Å; L137-F146 HydrophobicContact CD2-CD1 4.2Å; L137-F146 HydrophobicContact CD2-CD2 4.03Å; L137-F146 HydrophobicContact CD2-CE1 3.93Å; L137-F146 HydrophobicContact CD2-CE2 3.74Å; L137-F146 HydrophobicContact CD2-CG 4.25Å; L137-F146 HydrophobicContact CD2-CZ 3.69Å; L137-F146 HydrophobicContact CG-CE1 4.35Å; L137-F146 HydrophobicContact CG-CZ 4.3Å; F146-Q150 HydrophobicContact CB-CB 4.22Å; F146-Q150 HydrophobicContact CD1-CB 4.07Å; F146-L151 HydrophobicContact CB-CB 4.2Å; F146-L151 HydrophobicContact CD2-CB 4.07Å; F146-L151 HydrophobicContact CD2-CD1 3.99Å; F146-L151 HydrophobicContact CD2-CG 4.5Å; F146-L151 HydrophobicContact CE2-CD1 3.88Å; F146-L151 HydrophobicContact CG-CB 4.09Å; F146-L151 HydrophobicContact CZ-CD1 4.5Å; F146-I154 HydrophobicContact CD1-CD1 4.02Å; F146-I154 HydrophobicContact CE1-CD1 3.58Å; F146-L175 HydrophobicContact CD1-CD2 4.29Å; F146-L175 HydrophobicContact CE1-CD2 4.44Å; F146-L179 HydrophobicContact CE1-CD2 3.79Å; F146-L179 HydrophobicContact CZ-CD2 3.94Å
147	R	90	Very high	93.8	Very high	142 Å²	142	57.1 Å²	57.1	54%	0.536	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-77.5	167.7	165.3	-59.5	178.9	176	-179	-3	109.6	K149 Q150 G170 A171	R147-K149 PolarHBondContact O-N 3.27Å; R147-Q150 HydrophobicContact CB-CG 4.12Å; R147-Q150 WeakPolarHBondContact O-CB 3.31Å; R147-Q150 PolarHBondContact O-N 3.24Å; R147-Q150 VanDerWaalsContact O-N 3.14Å; R147-G170 PolarHBondContact NH1-O 2.72Å; R147-A171 WeakPolarHBondContact CD-O 3.47Å
148	H	88.5	Confident	93.9	Very high	117 Å²	117	58.4 Å²	58.4	54%	0.542	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	130.5	178.4	-171.7	63.2	0	0	0	111.5	Q150	H148-Q150 PolarHBondContact O-N 3.49Å
149	K	90.7	Very high	93.9	Very high	30 Å²	30	54.7 Å²	54.7	13%	0.13	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-3.9	176.9	-55.8	-79.1	175.1	177.9	0	116.5	D117 S119 R147 E152 A153 M167	D117-K149 IonicContact OD2-NZ 2.87Å; D117-K149 PolarHBondContact OD2-NZ 2.95Å; S119-K149 WeakPolarHBondContact OG-CD 3.33Å; S119-K149 PolarHBondContact OG-NZ 3.39Å; R147-K149 PolarHBondContact O-N 3.27Å; K149-E152 VanDerWaalsContact C-OE2 3.3Å; K149-E152 WeakPolarHBondContact CA-OE2 3.03Å; K149-A153 WeakPolarHBondContact O-CB 3.15Å; K149-A153 PolarHBondContact O-N 2.74Å; K149-M167 HydrophobicContact CB-CE 3.7Å; K149-M167 WeakPolarHBondContact O-CE 3.35Å
150	Q	93.9	Very high	93.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-42.3	178.6	-71	-174	-41.2	0	0	111.7	F146 R147 H148 A153 I154 G172	F146-Q150 HydrophobicContact CB-CB 4.22Å; F146-Q150 HydrophobicContact CD1-CB 4.07Å; R147-Q150 HydrophobicContact CB-CG 4.12Å; R147-Q150 WeakPolarHBondContact O-CB 3.31Å; R147-Q150 PolarHBondContact O-N 3.24Å; R147-Q150 VanDerWaalsContact O-N 3.14Å; H148-Q150 PolarHBondContact O-N 3.49Å; Q150-A153 PolarHBondContact O-N 3.49Å; Q150-I154 HydrophobicContact CB-CD1 4.45Å; Q150-I154 WeakPolarHBondContact O-CB 3.32Å; Q150-I154 WeakPolarHBondContact O-CD1 3.38Å; Q150-I154 WeakPolarHBondContact O-CG1 3.34Å; Q150-I154 PolarHBondContact O-N 2.9Å; Q150-G172 PolarHBondContact NE2-O 3.5Å
151	L	95.3	Very high	94	Very high	37 Å²	37	53.4 Å²	53.4	19%	0.194	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-48.8	-178.4	173.5	61	0	0	0	110.8	M133 F146 A153 I154 N155	M133-L151 HydrophobicContact CE-CD1 3.51Å; M133-L151 HydrophobicContact SD-CD1 4.07Å; F146-L151 HydrophobicContact CB-CB 4.2Å; F146-L151 HydrophobicContact CD2-CB 4.07Å; F146-L151 HydrophobicContact CD2-CD1 3.99Å; F146-L151 HydrophobicContact CD2-CG 4.5Å; F146-L151 HydrophobicContact CE2-CD1 3.88Å; F146-L151 HydrophobicContact CG-CB 4.09Å; F146-L151 HydrophobicContact CZ-CD1 4.5Å; L151-A153 PolarHBondContact O-N 2.84Å; L151-I154 PolarHBondContact O-N 3.45Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 2.83Å; L151-N155 PolarHBondContact O-ND2 3.34Å
152	E	95.7	Very high	94.2	Very high	29 Å²	29	53.5 Å²	53.5	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-46.4	-178.5	-60.3	94.8	137.6	0	0	111.2	F122 T123 K149 I154 N155 A156 F331	F122-E152 HydrophobicContact CB-CB 3.97Å; F122-E152 WeakPolarHBondContact CB-O 3.44Å; T123-E152 HydrophobicContact CG2-CG 4.01Å; K149-E152 VanDerWaalsContact C-OE2 3.3Å; K149-E152 WeakPolarHBondContact CA-OE2 3.03Å; E152-I154 PolarHBondContact O-N 3.33Å; E152-N155 PolarHBondContact O-N 2.9Å; E152-A156 PolarHBondContact O-N 3.04Å; E152-A156 VanDerWaalsContact O-N 3.09Å; E152-F331 HydrophobicContact CB-CD1 4.06Å; E152-F331 HydrophobicContact CB-CE1 3.94Å
153	A	96.3	Very high	94.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-42.6	176.7	0	0	0	0	0	111.9	K149 Q150 L151 T157 I165 M167 F331	K149-A153 WeakPolarHBondContact O-CB 3.15Å; K149-A153 PolarHBondContact O-N 2.74Å; Q150-A153 PolarHBondContact O-N 3.49Å; L151-A153 PolarHBondContact O-N 2.84Å; A153-T157 WeakPolarHBondContact O-CB 3.44Å; A153-T157 PolarHBondContact O-N 3.17Å; A153-T157 PolarHBondContact O-OG1 3.28Å; A153-I165 HydrophobicContact CB-CD1 3.91Å; A153-I165 HydrophobicContact CB-CG1 4.33Å; A153-M167 HydrophobicContact CB-CE 4.39Å; A153-F331 HydrophobicContact CB-CB 4.26Å; A153-F331 HydrophobicContact CB-CD1 4.26Å; A153-F331 HydrophobicContact CB-CD2 3.94Å; A153-F331 HydrophobicContact CB-CE2 4.42Å; A153-F331 HydrophobicContact CB-CG 3.87Å
154	I	97	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-41.6	179	-70	165	0	0	0	110.6	M133 F146 Q150 L151 E152 T157 M158 L175 C176 L179 P180	M133-I154 HydrophobicContact CG-CG2 4.16Å; M133-I154 HydrophobicContact SD-CB 4.44Å; M133-I154 HydrophobicContact SD-CG2 3.56Å; M133-I154 VanDerWaalsContact SD-CG2 3.56Å; F146-I154 HydrophobicContact CD1-CD1 4.02Å; F146-I154 HydrophobicContact CE1-CD1 3.58Å; Q150-I154 HydrophobicContact CB-CD1 4.45Å; Q150-I154 WeakPolarHBondContact O-CB 3.32Å; Q150-I154 WeakPolarHBondContact O-CD1 3.38Å; Q150-I154 WeakPolarHBondContact O-CG1 3.34Å; Q150-I154 PolarHBondContact O-N 2.9Å; L151-I154 PolarHBondContact O-N 3.45Å; E152-I154 PolarHBondContact O-N 3.33Å; I154-T157 CarbonylContact O-C 3.54Å; I154-T157 WeakPolarHBondContact O-CB 3.14Å; I154-T157 PolarHBondContact O-N 3.3Å; I154-M158 HydrophobicContact CG2-CG 4.25Å; I154-M158 VanDerWaalsContact O-CG 3.31Å; I154-M158 WeakPolarHBondContact O-CG 3.44Å; I154-M158 PolarHBondContact O-N 3.28Å; I154-L175 HydrophobicContact CD1-CG 4.38Å; I154-C176 HydrophobicContact CG1-CB 4.45Å; I154-L179 HydrophobicContact CD1-CD2 4.05Å; I154-L179 HydrophobicContact CG2-CD2 4.35Å; I154-P180 HydrophobicContact CG2-CG 4.08Å
155	N	97	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-50.6	176.4	-81.3	-26	0	0	0	111.6	F122 G124 Y127 H129 L151 E152 T157 M158 L159	F122-N155 HydrophobicContact CB-CB 4.21Å; F122-N155 PolarHBondContact O-ND2 3.19Å; G124-N155 PolarHBondContact O-ND2 2.71Å; Y127-N155 HydrophobicContact CD2-CB 4.35Å; Y127-N155 HydrophobicContact CE2-CB 4.01Å; Y127-N155 WeakPolarHBondContact CE2-ND2 3.48Å; H129-N155 PolarHBondContact NE2-OD1 3.39Å; L151-N155 WeakPolarHBondContact O-CB 3.46Å; L151-N155 PolarHBondContact O-N 2.83Å; L151-N155 PolarHBondContact O-ND2 3.34Å; E152-N155 PolarHBondContact O-N 2.9Å; N155-T157 PolarHBondContact O-N 3.25Å; N155-M158 PolarHBondContact O-N 3.44Å; N155-L159 VanDerWaalsContact O-CG 3.3Å; N155-L159 WeakPolarHBondContact O-CG 3.44Å; N155-L159 PolarHBondContact O-N 3.2Å
156	A	96.8	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-35.4	176.5	0	0	0	0	0	112.6	F122 E152 L159 G160 H161 F331	F122-A156 HydrophobicContact CD1-CB 3.8Å; F122-A156 HydrophobicContact CD2-CB 4.1Å; F122-A156 HydrophobicContact CE1-CB 3.7Å; F122-A156 HydrophobicContact CE2-CB 3.99Å; F122-A156 HydrophobicContact CG-CB 4Å; F122-A156 HydrophobicContact CZ-CB 3.79Å; E152-A156 PolarHBondContact O-N 3.04Å; E152-A156 VanDerWaalsContact O-N 3.09Å; A156-L159 PolarHBondContact O-N 3.27Å; A156-G160 PolarHBondContact O-N 2.84Å; A156-H161 HydrophobicContact CB-CB 4.49Å; A156-H161 WeakPolarHBondContact O-CB 3.29Å; A156-H161 PolarHBondContact O-N 3.46Å; A156-H161 VanDerWaalsContact O-N 3.1Å; A156-F331 HydrophobicContact CB-CE1 4.45Å; A156-F331 HydrophobicContact CB-CE2 3.79Å; A156-F331 HydrophobicContact CB-CZ 3.37Å
157	T	96.7	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-42.8	175.8	-57.4	0	0	0	0	111.8	A153 I154 N155 L159 G160 P180 R269 M305	A153-T157 WeakPolarHBondContact O-CB 3.44Å; A153-T157 PolarHBondContact O-N 3.17Å; A153-T157 PolarHBondContact O-OG1 3.28Å; I154-T157 CarbonylContact O-C 3.54Å; I154-T157 WeakPolarHBondContact O-CB 3.14Å; I154-T157 PolarHBondContact O-N 3.3Å; N155-T157 PolarHBondContact O-N 3.25Å; T157-L159 VanDerWaalsContact C-N 3.28Å; T157-L159 PolarHBondContact O-N 3.19Å; T157-G160 PolarHBondContact O-N 3.2Å; T157-P180 HydrophobicContact CG2-CB 3.79Å; T157-P180 HydrophobicContact CG2-CG 3.69Å; T157-R269 VanDerWaalsContact CG2-CZ 3.44Å; T157-R269 VanDerWaalsContact CG2-NE 3.27Å; T157-R269 PolarHBondContact O-NH2 3.18Å; T157-M305 HydrophobicContact CG2-CE 3.46Å; T157-M305 VanDerWaalsContact CG2-CE 3.46Å; T157-M305 WeakPolarHBondContact OG1-CE 3.43Å
158	M	96.2	Very high	94.9	Very high	30 Å²	30	22.8 Å²	22.8	15%	0.148	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-29.5	177.3	-69.4	-60.6	-68.2	0	0	112.3	H129 I154 N155 G160 P180 L183 L184	H129-M158 HydrophobicContact CB-CE 3.76Å; I154-M158 HydrophobicContact CG2-CG 4.25Å; I154-M158 VanDerWaalsContact O-CG 3.31Å; I154-M158 WeakPolarHBondContact O-CG 3.44Å; I154-M158 PolarHBondContact O-N 3.28Å; N155-M158 PolarHBondContact O-N 3.44Å; M158-G160 PolarHBondContact O-N 2.99Å; M158-P180 HydrophobicContact SD-CB 3.84Å; M158-P180 HydrophobicContact SD-CG 4.19Å; M158-L183 HydrophobicContact CE-CB 3.77Å; M158-L183 HydrophobicContact CE-CD1 3.95Å; M158-L183 HydrophobicContact SD-CB 4.23Å; M158-L183 HydrophobicContact SD-CD1 4.1Å; M158-L184 HydrophobicContact CE-CD2 3.9Å; M158-L184 HydrophobicContact CE-CG 4.21Å; M158-L184 HydrophobicContact SD-CD1 4.28Å; M158-L184 HydrophobicContact SD-CD2 4.15Å; M158-L184 HydrophobicContact SD-CG 3.97Å
159	L	95.7	Very high	94.5	Very high	80 Å²	80	18.1 Å²	18.1	42%	0.419	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	0.6	174.8	-66.1	171	0	0	0	114	F122 Y127 N155 A156 T157	F122-L159 HydrophobicContact CD1-CD1 4.07Å; F122-L159 HydrophobicContact CE1-CD1 3.89Å; Y127-L159 HydrophobicContact CD1-CD1 4.28Å; Y127-L159 HydrophobicContact CD1-CD2 4.26Å; Y127-L159 HydrophobicContact CE1-CD1 3.85Å; N155-L159 VanDerWaalsContact O-CG 3.3Å; N155-L159 WeakPolarHBondContact O-CG 3.44Å; N155-L159 PolarHBondContact O-N 3.2Å; A156-L159 PolarHBondContact O-N 3.27Å; T157-L159 VanDerWaalsContact C-N 3.28Å; T157-L159 PolarHBondContact O-N 3.19Å
160	G	94.7	Very high	93.9	Very high	39 Å²	39	18 Å²	18	40%	0.402	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	11.7	176	0	0	0	0	0	114.9	A156 T157 M158 P303	A156-G160 PolarHBondContact O-N 2.84Å; T157-G160 PolarHBondContact O-N 3.2Å; M158-G160 PolarHBondContact O-N 2.99Å; G160-P303 WeakPolarHBondContact O-CG 3.47Å
161	H	96.9	Very high	93.4	Very high	76 Å²	76	18.9 Å²	18.9	35%	0.352	12%	0.116	S	C	.	.			trans	-73.7	151.7	175.8	-65.1	-65.6	0	0	0	112.4	F122 A156 R269 K329	F122-H161 AromaticContact CE1-CD2 3.89Å; F122-H161 AromaticContact CZ-CD2 3.93Å; A156-H161 HydrophobicContact CB-CB 4.49Å; A156-H161 WeakPolarHBondContact O-CB 3.29Å; A156-H161 PolarHBondContact O-N 3.46Å; A156-H161 VanDerWaalsContact O-N 3.1Å; H161-R269 PolarHBondContact O-NH1 2.93Å; H161-R269 PolarHBondContact O-NH2 2.96Å; H161-K329 HydrophobicContact CB-CG 4.05Å
162	D	97.6	Very high	93	Very high	28 Å²	28	18.1 Å²	18.1	15%	0.15	12%	0.117	C	C	.	.			trans	-68.7	136.4	160.1	-78.2	-0.7	0	0	0	109.5	R296 P303 L304 S328 K329	D162-R296 IonicContact OD1-NH2 3.21Å; D162-R296 PolarHBondContact OD1-NH2 3.23Å; D162-R296 IonicContact OD2-CZ 2.7Å; D162-R296 IonicContact OD2-NH2 2.69Å; D162-R296 PolarHBondContact OD2-NH2 3.44Å; D162-P303 WeakPolarHBondContact OD1-CA 3.49Å; D162-L304 CarbonylContact C-O 3.55Å; D162-L304 WeakPolarHBondContact CA-O 3.48Å; D162-L304 PolarHBondContact OD1-N 3.16Å; D162-S328 WeakPolarHBondContact O-CA 3.4Å; D162-K329 PolarHBondContact O-N 2.9Å
163	C	97.6	Very high	92.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.9	-173.9	-64.1	0	0	0	0	111.2	I165 L304 M305 A306 M325 K329 F331	C163-I165 HydrophobicContact CB-CG1 4.43Å; C163-L304 PolarHBondContact N-O 3.23Å; C163-M305 HydrophobicContact CB-CE 4.19Å; C163-M305 HydrophobicContact CB-CG 4.22Å; C163-M305 CarbonylContact O-C 3.4Å; C163-M305 VanDerWaalsContact O-CA 3.23Å; C163-M305 WeakPolarHBondContact O-CA 3.42Å; C163-A306 PolarHBondContact O-N 2.94Å; C163-M325 WeakPolarHBondContact O-CE 3.46Å; C163-K329 CarbonylContact C-O 3.6Å; C163-K329 WeakPolarHBondContact CA-O 3.13Å; C163-F331 HydrophobicContact CB-CD2 4.48Å; C163-F331 HydrophobicContact CB-CE2 4.26Å
164	F	96.9	Very high	92.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.2	166.1	-163	-69.8	0	0	0	108.2	L166 A306 T308 V316 T319 K320 M325 K329 L330 F331	F164-L166 HydrophobicContact CE1-CB 4.43Å; F164-A306 CarbonylContact C-O 3.43Å; F164-A306 WeakPolarHBondContact CA-O 3.43Å; F164-A306 HydrophobicContact CD2-CB 3.83Å; F164-A306 HydrophobicContact CE2-CB 4.08Å; F164-A306 HydrophobicContact CG-CB 4.4Å; F164-T308 HydrophobicContact CE1-CG2 3.78Å; F164-T308 HydrophobicContact CZ-CG2 3.99Å; F164-V316 HydrophobicContact CD1-CG1 4.28Å; F164-V316 HydrophobicContact CE1-CB 4.45Å; F164-V316 HydrophobicContact CE1-CG1 4.02Å; F164-V316 HydrophobicContact CE1-CG2 3.96Å; F164-V316 HydrophobicContact CE2-CG1 4.31Å; F164-V316 HydrophobicContact CZ-CB 4.29Å; F164-V316 HydrophobicContact CZ-CG1 4.03Å; F164-V316 HydrophobicContact CZ-CG2 4.12Å; F164-T319 HydrophobicContact CE2-CG2 3.72Å; F164-T319 HydrophobicContact CZ-CG2 4.33Å; F164-K320 HydrophobicContact CD2-CG 3.75Å; F164-K320 HydrophobicContact CE2-CG 4.15Å; F164-M325 HydrophobicContact CB-CE 3.9Å; F164-M325 HydrophobicContact CD2-CE 3.91Å; F164-M325 HydrophobicContact CD2-SD 4.12Å; F164-M325 HydrophobicContact CG-CE 4.39Å; F164-K329 PolarHBondContact N-O 3.3Å; F164-L330 HydrophobicContact CB-CD1 3.93Å; F164-L330 HydrophobicContact CD1-CD1 3.57Å; F164-L330 HydrophobicContact CE1-CD1 4.46Å; F164-L330 HydrophobicContact CG-CD1 4.05Å; F164-L330 CarbonylContact O-C 3.51Å; F164-L330 WeakPolarHBondContact O-CA 3.34Å; F164-F331 PolarHBondContact O-N 3.02Å
165	I	96.4	Very high	92.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.9	-175	-59.6	-178.7	0	0	0	109	A153 C163 M167 C176 M305 A306 L307 T308 F331	A153-I165 HydrophobicContact CB-CD1 3.91Å; A153-I165 HydrophobicContact CB-CG1 4.33Å; C163-I165 HydrophobicContact CB-CG1 4.43Å; I165-M167 HydrophobicContact CG2-CB 4.47Å; I165-M167 HydrophobicContact CG2-CE 3.78Å; I165-M167 HydrophobicContact CG2-CG 3.57Å; I165-M167 HydrophobicContact CG2-SD 3.7Å; I165-C176 HydrophobicContact CD1-CB 3.47Å; I165-C176 VanDerWaalsContact CD1-CB 3.47Å; I165-M305 HydrophobicContact CD1-CE 3.83Å; I165-M305 HydrophobicContact CD1-CG 4.08Å; I165-M305 HydrophobicContact CD1-SD 3.59Å; I165-M305 VanDerWaalsContact CD1-SD 3.59Å; I165-M305 HydrophobicContact CG1-CG 4.47Å; I165-A306 PolarHBondContact N-O 3.42Å; I165-L307 HydrophobicContact CB-CD2 4.16Å; I165-L307 HydrophobicContact CB-CG 4.1Å; I165-L307 HydrophobicContact CD1-CD2 3.99Å; I165-L307 HydrophobicContact CD1-CG 4.37Å; I165-L307 HydrophobicContact CG2-CD2 4.27Å; I165-L307 WeakPolarHBondContact O-CA 3.33Å; I165-T308 PolarHBondContact O-N 3.2Å; I165-F331 HydrophobicContact CG1-CD2 4.39Å
166	L	94.2	Very high	92.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	95	176.4	-176.1	59	0	0	0	109	L115 F164 T308 A311 V316 F331 I332 S333 F335	L115-L166 HydrophobicContact CD1-CD2 4.27Å; F164-L166 HydrophobicContact CE1-CB 4.43Å; L166-T308 WeakPolarHBondContact CA-O 3.14Å; L166-T308 HydrophobicContact CD1-CG2 3.7Å; L166-A311 HydrophobicContact CD1-CB 4Å; L166-V316 HydrophobicContact CD2-CG2 4.04Å; L166-F331 PolarHBondContact N-O 3.49Å; L166-I332 HydrophobicContact CB-CG2 4.21Å; L166-I332 HydrophobicContact CD2-CG2 3.93Å; L166-I332 HydrophobicContact CG-CG2 4.12Å; L166-I332 WeakPolarHBondContact O-CA 3.37Å; L166-S333 PolarHBondContact O-N 2.99Å; L166-F335 HydrophobicContact CD1-CE1 4.47Å; L166-F335 HydrophobicContact CD1-CZ 3.81Å; L166-F335 HydrophobicContact CD2-CE2 4.18Å; L166-F335 HydrophobicContact CD2-CZ 3.84Å; L166-F335 HydrophobicContact CG-CE2 4.18Å; L166-F335 HydrophobicContact CG-CZ 3.62Å
167	M	91.6	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.128	C	C	.	.			trans	-136.6	139.2	-179.6	-54.4	179.3	171.3	0	0	111.3	K149 A153 I165 A171 K173 T308 A309 S333	K149-M167 HydrophobicContact CB-CE 3.7Å; K149-M167 WeakPolarHBondContact O-CE 3.35Å; A153-M167 HydrophobicContact CB-CE 4.39Å; I165-M167 HydrophobicContact CG2-CB 4.47Å; I165-M167 HydrophobicContact CG2-CE 3.78Å; I165-M167 HydrophobicContact CG2-CG 3.57Å; I165-M167 HydrophobicContact CG2-SD 3.7Å; M167-A171 HydrophobicContact CB-CB 3.8Å; M167-K173 HydrophobicContact CB-CD 4.24Å; M167-K173 HydrophobicContact CB-CG 3.71Å; M167-K173 HydrophobicContact CG-CG 4.35Å; M167-K173 WeakPolarHBondContact O-CD 3.34Å; M167-K173 PolarHBondContact O-NZ 3.37Å; M167-K173 HydrophobicContact SD-CG 4.28Å; M167-T308 PolarHBondContact N-O 3.35Å; M167-T308 VanDerWaalsContact N-O 3.09Å; M167-A309 VanDerWaalsContact O-CA 3.23Å; M167-A309 WeakPolarHBondContact O-CA 3.43Å; M167-S333 WeakPolarHBondContact CG-OG 3.28Å
168	P	86.8	Confident	92.7	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.058	13%	0.129	C	C	.	.			trans	-65.5	168.2	-174.8	31.5	-39	0	0	0	112.6	G170 A171 K173 T334 Y450	P168-G170 PolarHBondContact O-N 2.87Å; P168-A171 HydrophobicContact CG-CB 4.01Å; P168-A171 VanDerWaalsContact O-CB 3.28Å; P168-A171 WeakPolarHBondContact O-CB 3.43Å; P168-A171 PolarHBondContact O-N 3.37Å; P168-A171 VanDerWaalsContact O-N 3.13Å; P168-K173 PolarHBondContact O-NZ 2.97Å; P168-T334 WeakPolarHBondContact CD-O 3.31Å; P168-T334 VanDerWaalsContact CG-O 3.3Å; P168-T334 WeakPolarHBondContact CG-O 3.36Å; P168-Y450 HydrophobicContact CB-CE1 4.22Å; P168-Y450 WeakPolarHBondContact CB-OH 3.48Å
169	T	80.7	Confident	92.7	Very high	18 Å²	18	18.5 Å²	18.5	11%	0.11	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	132.1	176.4	-43.6	0	0	0	0	110.1	A171	T169-A171 VanDerWaalsContact C-N 3.33Å
170	G	77.2	Confident	92.8	Very high	29 Å²	29	14.7 Å²	14.7	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-8.8	-176.6	0	0	0	0	0	115.4	R147 P168 G172	R147-G170 PolarHBondContact NH1-O 2.72Å; P168-G170 PolarHBondContact O-N 2.87Å; G170-G172 PolarHBondContact O-N 2.85Å; G170-G172 VanDerWaalsContact O-N 3.14Å
171	A	84.1	Confident	92.9	Very high	21 Å²	21	12.9 Å²	12.9	17%	0.174	8%	0.083	C	C	.	.	S	Bend	trans	-65.8	-15.6	177.6	0	0	0	0	0	114.2	R147 M167 P168 T169	R147-A171 WeakPolarHBondContact CD-O 3.47Å; M167-A171 HydrophobicContact CB-CB 3.8Å; P168-A171 HydrophobicContact CG-CB 4.01Å; P168-A171 VanDerWaalsContact O-CB 3.28Å; P168-A171 WeakPolarHBondContact O-CB 3.43Å; P168-A171 PolarHBondContact O-N 3.37Å; P168-A171 VanDerWaalsContact O-N 3.13Å; T169-A171 VanDerWaalsContact C-N 3.33Å
172	G	87	Confident	92.9	Very high	21 Å²	21	10.8 Å²	10.8	22%	0.216	8%	0.076	C	C	.	.			trans	93	35.6	179.8	0	0	0	0	0	114.1	Q150 G170 S174 L175	Q150-G172 PolarHBondContact NE2-O 3.5Å; G170-G172 PolarHBondContact O-N 2.85Å; G170-G172 VanDerWaalsContact O-N 3.14Å; G172-S174 PolarHBondContact O-N 2.82Å; G172-L175 PolarHBondContact O-N 3.18Å
173	K	92.6	Very high	92.7	Very high	23 Å²	23	11.3 Å²	11.3	10%	0.1	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-42.4	174.9	-73.7	-172.8	-69.5	-71.2	0	113.5	M167 P168 L175 C176 L307	M167-K173 HydrophobicContact CB-CD 4.24Å; M167-K173 HydrophobicContact CB-CG 3.71Å; M167-K173 HydrophobicContact CG-CG 4.35Å; M167-K173 WeakPolarHBondContact O-CD 3.34Å; M167-K173 PolarHBondContact O-NZ 3.37Å; M167-K173 HydrophobicContact SD-CG 4.28Å; P168-K173 PolarHBondContact O-NZ 2.97Å; K173-L175 PolarHBondContact O-N 3.08Å; K173-C176 VanDerWaalsContact O-CB 3.23Å; K173-C176 WeakPolarHBondContact O-CB 3.21Å; K173-C176 PolarHBondContact O-N 2.79Å; K173-C176 PolarHBondContact O-SG 3.15Å; K173-L307 HydrophobicContact CB-CD2 3.9Å; K173-L307 HydrophobicContact CD-CB 4.32Å; K173-L307 WeakPolarHBondContact O-CD2 3.45Å
174	S	93.7	Very high	92.6	Very high	29 Å²	29	13 Å²	13	20%	0.203	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.7	-175.3	-44.1	0	0	0	0	113.3	G172 C176 Y177 Q178	G172-S174 PolarHBondContact O-N 2.82Å; S174-C176 PolarHBondContact O-N 2.78Å; S174-Y177 VanDerWaalsContact CA-CE1 3.49Å; S174-Y177 WeakPolarHBondContact O-CD1 3.39Å; S174-Y177 PolarHBondContact O-N 2.91Å; S174-Q178 VanDerWaalsContact O-CB 3.3Å; S174-Q178 WeakPolarHBondContact O-CB 3.37Å; S174-Q178 WeakPolarHBondContact O-CG 3.4Å; S174-Q178 PolarHBondContact O-N 3.4Å
175	L	95.2	Very high	92.4	Very high	11 Å²	11	17.5 Å²	17.5	6%	0.058	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-29.6	178.8	-170.3	67.9	0	0	0	112.1	L137 F141 L143 F146 I154 G172 K173 Y177 Q178 L179	L137-L175 HydrophobicContact CD1-CD1 4.39Å; L137-L175 HydrophobicContact CD1-CD2 3.85Å; F141-L175 HydrophobicContact CB-CD1 4.45Å; F141-L175 HydrophobicContact CD1-CD1 3.75Å; F141-L175 HydrophobicContact CD2-CD1 4.22Å; F141-L175 HydrophobicContact CE1-CD1 3.98Å; F141-L175 HydrophobicContact CE2-CD1 4.44Å; F141-L175 HydrophobicContact CG-CD1 3.87Å; F141-L175 HydrophobicContact CZ-CD1 4.32Å; L143-L175 HydrophobicContact CD1-CD1 4.16Å; L143-L175 HydrophobicContact CD1-CD2 3.76Å; F146-L175 HydrophobicContact CD1-CD2 4.29Å; F146-L175 HydrophobicContact CE1-CD2 4.44Å; I154-L175 HydrophobicContact CD1-CG 4.38Å; G172-L175 PolarHBondContact O-N 3.18Å; K173-L175 PolarHBondContact O-N 3.08Å; L175-Y177 PolarHBondContact O-N 2.93Å; L175-Q178 PolarHBondContact O-N 2.85Å; L175-L179 HydrophobicContact CD1-CB 4.14Å; L175-L179 HydrophobicContact CG-CB 4.45Å; L175-L179 WeakPolarHBondContact O-CB 3.42Å; L175-L179 PolarHBondContact O-N 2.87Å; L175-L179 VanDerWaalsContact O-N 3.1Å
176	C	96.8	Very high	92.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-25.8	-176.6	-56.5	0	0	0	0	113.1	I154 I165 K173 S174 P180	I154-C176 HydrophobicContact CG1-CB 4.45Å; I165-C176 HydrophobicContact CD1-CB 3.47Å; I165-C176 VanDerWaalsContact CD1-CB 3.47Å; K173-C176 VanDerWaalsContact O-CB 3.23Å; K173-C176 WeakPolarHBondContact O-CB 3.21Å; K173-C176 PolarHBondContact O-N 2.79Å; K173-C176 PolarHBondContact O-SG 3.15Å; S174-C176 PolarHBondContact O-N 2.78Å; C176-P180 WeakPolarHBondContact O-CD 3.23Å; C176-P180 VanDerWaalsContact O-CG 3.31Å; C176-P180 WeakPolarHBondContact O-CG 3.42Å
177	Y	97.2	Very high	92.3	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-109.4	-28.5	172.9	67.9	-99.3	0	0	0	113.2	S174 L175 A181 V190 L240 Y242 V271 L307	S174-Y177 VanDerWaalsContact CA-CE1 3.49Å; S174-Y177 WeakPolarHBondContact O-CD1 3.39Å; S174-Y177 PolarHBondContact O-N 2.91Å; L175-Y177 PolarHBondContact O-N 2.93Å; Y177-A181 VanDerWaalsContact O-CB 3.32Å; Y177-A181 WeakPolarHBondContact O-CB 3.47Å; Y177-A181 PolarHBondContact O-N 3.49Å; Y177-V190 HydrophobicContact CD2-CG2 3.95Å; Y177-V190 HydrophobicContact CE2-CG1 4.31Å; Y177-V190 HydrophobicContact CE2-CG2 3.77Å; Y177-L240 HydrophobicContact CD2-CD2 4.14Å; Y177-L240 HydrophobicContact CE2-CD2 4.29Å; Y177-Y242 HydrophobicContact CE2-CE1 4.34Å; Y177-Y242 WeakPolarHBondContact CE2-OH 3.45Å; Y177-Y242 PolarHBondContact OH-OH 3.13Å; Y177-V271 HydrophobicContact CD1-CG1 3.88Å; Y177-V271 HydrophobicContact CD2-CG2 4.42Å; Y177-V271 HydrophobicContact CE1-CG1 4.29Å; Y177-V271 HydrophobicContact CG-CG1 4Å; Y177-V271 HydrophobicContact CG-CG2 4.09Å; Y177-L307 HydrophobicContact CD1-CD1 4.03Å; Y177-L307 HydrophobicContact CD1-CD2 4.02Å; Y177-L307 HydrophobicContact CE1-CD2 4.49Å
178	Q	97.4	Very high	92.6	Very high	3 Å²	3	18 Å²	18	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-67.9	-42.2	-178.8	-72.7	171.7	-12	0	0	112.1	F141 S174 L175 A181 V182 M205 L240 Y242	F141-Q178 HydrophobicContact CE1-CB 3.96Å; F141-Q178 HydrophobicContact CZ-CB 3.9Å; S174-Q178 VanDerWaalsContact O-CB 3.3Å; S174-Q178 WeakPolarHBondContact O-CB 3.37Å; S174-Q178 WeakPolarHBondContact O-CG 3.4Å; S174-Q178 PolarHBondContact O-N 3.4Å; L175-Q178 PolarHBondContact O-N 2.85Å; Q178-A181 PolarHBondContact O-N 3.43Å; Q178-V182 WeakPolarHBondContact O-CG2 3.16Å; Q178-V182 PolarHBondContact O-N 3.07Å; Q178-M205 HydrophobicContact CB-CE 4.36Å; Q178-M205 HydrophobicContact CB-SD 4.16Å; Q178-M205 VanDerWaalsContact CD-SD 3.51Å; Q178-M205 HydrophobicContact CG-CE 4.48Å; Q178-M205 HydrophobicContact CG-SD 3.8Å; Q178-L240 HydrophobicContact CG-CD1 4.36Å; Q178-Y242 PolarHBondContact NE2-OH 3.09Å
179	L	97	Very high	93.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-48.3	179.3	179.6	64.4	0	0	0	111.5	M133 L137 F141 F146 I154 L175 A181 V182 L183	M133-L179 HydrophobicContact CG-CD2 3.56Å; M133-L179 HydrophobicContact CG-CG 4.34Å; L137-L179 HydrophobicContact CD1-CD2 4.39Å; F141-L179 HydrophobicContact CD2-CD1 3.86Å; F141-L179 HydrophobicContact CE2-CB 4.06Å; F141-L179 HydrophobicContact CE2-CD1 3.59Å; F141-L179 HydrophobicContact CE2-CG 4.45Å; F141-L179 HydrophobicContact CZ-CB 4.43Å; F146-L179 HydrophobicContact CE1-CD2 3.79Å; F146-L179 HydrophobicContact CZ-CD2 3.94Å; I154-L179 HydrophobicContact CD1-CD2 4.05Å; I154-L179 HydrophobicContact CG2-CD2 4.35Å; L175-L179 HydrophobicContact CD1-CB 4.14Å; L175-L179 HydrophobicContact CG-CB 4.45Å; L175-L179 WeakPolarHBondContact O-CB 3.42Å; L175-L179 PolarHBondContact O-N 2.87Å; L175-L179 VanDerWaalsContact O-N 3.1Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.39Å; L179-V182 PolarHBondContact O-N 2.7Å; L179-L183 HydrophobicContact CD1-CD1 4.23Å; L179-L183 HydrophobicContact CD1-CG 4.49Å; L179-L183 HydrophobicContact CG-CD1 4.09Å; L179-L183 WeakPolarHBondContact O-CG 2.97Å; L179-L183 PolarHBondContact O-N 2.69Å
180	P	97.3	Very high	93.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-39.6	171.3	-31.7	39.5	0	0	0	114.4	I154 T157 M158 C176 V182 L183 L184	I154-P180 HydrophobicContact CG2-CG 4.08Å; T157-P180 HydrophobicContact CG2-CB 3.79Å; T157-P180 HydrophobicContact CG2-CG 3.69Å; M158-P180 HydrophobicContact SD-CB 3.84Å; M158-P180 HydrophobicContact SD-CG 4.19Å; C176-P180 WeakPolarHBondContact O-CD 3.23Å; C176-P180 VanDerWaalsContact O-CG 3.31Å; C176-P180 WeakPolarHBondContact O-CG 3.42Å; P180-V182 VanDerWaalsContact C-N 3.25Å; P180-V182 PolarHBondContact O-N 3.34Å; P180-L183 PolarHBondContact O-N 3.17Å; P180-L183 VanDerWaalsContact O-N 3.17Å; P180-L184 HydrophobicContact CB-CD1 4.23Å; P180-L184 WeakPolarHBondContact O-CB 3.45Å; P180-L184 WeakPolarHBondContact O-CG 3.48Å; P180-L184 PolarHBondContact O-N 3.38Å
181	A	96.9	Very high	94.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-62.4	-31.7	179.2	0	0	0	0	0	113.2	Y177 Q178 L179 T188 K239 L240	Y177-A181 VanDerWaalsContact O-CB 3.32Å; Y177-A181 WeakPolarHBondContact O-CB 3.47Å; Y177-A181 PolarHBondContact O-N 3.49Å; Q178-A181 PolarHBondContact O-N 3.43Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.39Å; A181-T188 HydrophobicContact CB-CG2 4.48Å; A181-T188 WeakPolarHBondContact CB-OG1 3.45Å; A181-K239 WeakPolarHBondContact O-CD 3.45Å; A181-L240 HydrophobicContact CB-CD1 4.31Å; A181-L240 HydrophobicContact CB-CD2 3.71Å; A181-L240 HydrophobicContact CB-CG 3.85Å
182	V	95.6	Very high	95.2	Very high	31 Å²	31	14.3 Å²	14.3	19%	0.188	9%	0.09	C	C	.	.	H	α-helix	trans	-71.9	-42.6	175.1	173.8	0	0	0	0	110.9	F141 Q178 L179 P180 V210	F141-V182 HydrophobicContact CE2-CG2 4.26Å; F141-V182 HydrophobicContact CZ-CG2 4.21Å; Q178-V182 WeakPolarHBondContact O-CG2 3.16Å; Q178-V182 PolarHBondContact O-N 3.07Å; L179-V182 PolarHBondContact O-N 2.7Å; P180-V182 VanDerWaalsContact C-N 3.25Å; P180-V182 PolarHBondContact O-N 3.34Å; V182-V210 HydrophobicContact CG2-CG1 3.93Å; V182-V210 HydrophobicContact CG2-CG2 3.94Å
183	L	95.2	Very high	95.2	Very high	40 Å²	40	13.7 Å²	13.7	21%	0.209	8%	0.082	C	C	.	.	H	α-helix	trans	-77.3	-37.3	-174	-64.9	171.2	0	0	0	113.3	M133 S136 M158 L179 P180	M133-L183 HydrophobicContact CB-CD1 3.94Å; M133-L183 HydrophobicContact CG-CD1 4.23Å; S136-L183 VanDerWaalsContact OG-CD2 3.26Å; S136-L183 WeakPolarHBondContact OG-CD2 3.3Å; M158-L183 HydrophobicContact CE-CB 3.77Å; M158-L183 HydrophobicContact CE-CD1 3.95Å; M158-L183 HydrophobicContact SD-CB 4.23Å; M158-L183 HydrophobicContact SD-CD1 4.1Å; L179-L183 HydrophobicContact CD1-CD1 4.23Å; L179-L183 HydrophobicContact CD1-CG 4.49Å; L179-L183 HydrophobicContact CG-CD1 4.09Å; L179-L183 WeakPolarHBondContact O-CG 2.97Å; L179-L183 PolarHBondContact O-N 2.69Å; P180-L183 PolarHBondContact O-N 3.17Å; P180-L183 VanDerWaalsContact O-N 3.17Å
184	L	94.4	Very high	94.6	Very high	36 Å²	36	14.4 Å²	14.4	19%	0.188	9%	0.087	C	C	.	.	S	Bend	trans	-80.1	148.5	-175.1	-67.6	172.6	0	0	0	111.7	M158 P180 K239	M158-L184 HydrophobicContact CE-CD2 3.9Å; M158-L184 HydrophobicContact CE-CG 4.21Å; M158-L184 HydrophobicContact SD-CD1 4.28Å; M158-L184 HydrophobicContact SD-CD2 4.15Å; M158-L184 HydrophobicContact SD-CG 3.97Å; P180-L184 HydrophobicContact CB-CD1 4.23Å; P180-L184 WeakPolarHBondContact O-CB 3.45Å; P180-L184 WeakPolarHBondContact O-CG 3.48Å; P180-L184 PolarHBondContact O-N 3.38Å; L184-K239 PolarHBondContact O-NZ 2.85Å
185	P	92.2	Very high	93.9	Very high	93 Å²	93	18.2 Å²	18.2	60%	0.604	10%	0.1	S	C	*	.	S	Bend	trans	-68.7	149.3	168.4	30.6	-33.9	0	0	0	110.2
186	G	94.2	Very high	93	Very high	7 Å²	7	19.6 Å²	19.6	7%	0.072	11%	0.11	C	C	.	.	S	Bend	trans	87.6	-153.8	179.3	0	0	0	0	0	114.4	L266	G186-L266 CarbonylContact C-O 3.55Å; G186-L266 WeakPolarHBondContact CA-O 3.06Å
187	I	95.7	Very high	92.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.1	-168.8	-55.7	-169.5	0	0	0	110.6	L231 L236 K239 I241 L261 L266 S268	I187-L231 HydrophobicContact CD1-CD2 3.14Å; I187-L236 HydrophobicContact CD1-CD1 3.99Å; I187-L236 HydrophobicContact CD1-CD2 4.26Å; I187-L236 HydrophobicContact CG1-CD1 3.71Å; I187-K239 WeakPolarHBondContact CA-O 3.4Å; I187-I241 HydrophobicContact CD1-CD1 4.11Å; I187-I241 HydrophobicContact CG2-CB 4.3Å; I187-I241 HydrophobicContact CG2-CD1 3.78Å; I187-I241 HydrophobicContact CG2-CG1 3.72Å; I187-L261 HydrophobicContact CD1-CD1 3.9Å; I187-L261 HydrophobicContact CD1-CD2 4.18Å; I187-L266 PolarHBondContact N-O 3.42Å; I187-S268 WeakPolarHBondContact O-CB 3.49Å; I187-S268 PolarHBondContact O-N 2.92Å; I187-S268 PolarHBondContact O-OG 2.94Å
188	T	97.8	Very high	91.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.7	166.1	-66.8	0	0	0	0	109.1	A181 V190 K239 L240 I241 S268 R269 V271	A181-T188 HydrophobicContact CB-CG2 4.48Å; A181-T188 WeakPolarHBondContact CB-OG1 3.45Å; T188-V190 HydrophobicContact CG2-CG2 4.09Å; T188-K239 PolarHBondContact N-O 2.57Å; T188-L240 HydrophobicContact CG2-CD2 3.98Å; T188-L240 WeakPolarHBondContact O-CA 3.35Å; T188-I241 PolarHBondContact O-N 3.27Å; T188-S268 PolarHBondContact N-OG 2.83Å; T188-S268 PolarHBondContact OG1-OG 2.77Å; T188-R269 WeakPolarHBondContact CA-O 2.91Å; T188-R269 HydrophobicContact CG2-CB 4.29Å; T188-V271 HydrophobicContact CG2-CG2 3.52Å
189	L	97.3	Very high	91.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121	174.6	-176.7	75.7	0	0	0	109.4	I241 V243 L248 L258 R269 F270 V271	L189-I241 CarbonylContact C-O 3.49Å; L189-I241 WeakPolarHBondContact CA-O 3.45Å; L189-I241 HydrophobicContact CD1-CB 3.84Å; L189-I241 HydrophobicContact CD1-CG2 3.62Å; L189-V243 HydrophobicContact CD1-CB 4.38Å; L189-V243 HydrophobicContact CD1-CG1 3.92Å; L189-V243 HydrophobicContact CD2-CG1 4.37Å; L189-V243 HydrophobicContact CG-CG1 4.15Å; L189-L248 HydrophobicContact CD2-CD1 4.16Å; L189-L248 HydrophobicContact CD2-CD2 4.38Å; L189-L258 HydrophobicContact CD2-CD1 3.82Å; L189-L258 HydrophobicContact CD2-CD2 4.09Å; L189-R269 PolarHBondContact N-O 2.81Å; L189-F270 HydrophobicContact CB-CD1 3.9Å; L189-F270 HydrophobicContact CB-CE1 4.15Å; L189-F270 HydrophobicContact CD2-CD1 3.76Å; L189-F270 HydrophobicContact CD2-CE1 3.62Å; L189-F270 HydrophobicContact CG-CD1 4.35Å; L189-V271 PolarHBondContact O-N 2.97Å
190	V	97.3	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.8	-178.6	-172.3	0	0	0	0	110	Y177 T188 L240 I241 Y242 V243 V271	Y177-V190 HydrophobicContact CD2-CG2 3.95Å; Y177-V190 HydrophobicContact CE2-CG1 4.31Å; Y177-V190 HydrophobicContact CE2-CG2 3.77Å; T188-V190 HydrophobicContact CG2-CG2 4.09Å; V190-L240 HydrophobicContact CG2-CD2 3.79Å; V190-I241 PolarHBondContact N-O 2.9Å; V190-Y242 HydrophobicContact CB-CD1 3.65Å; V190-Y242 HydrophobicContact CB-CE1 3.81Å; V190-Y242 HydrophobicContact CB-CG 4.19Å; V190-Y242 HydrophobicContact CG1-CD1 3.68Å; V190-Y242 HydrophobicContact CG1-CE1 3.64Å; V190-Y242 HydrophobicContact CG2-CD1 4.31Å; V190-Y242 HydrophobicContact CG2-CE1 4.06Å; V190-Y242 CarbonylContact O-C 3.47Å; V190-Y242 VanDerWaalsContact O-CA 3.27Å; V190-Y242 WeakPolarHBondContact O-CA 3.49Å; V190-V243 PolarHBondContact O-N 2.98Å; V190-V271 CarbonylContact C-O 3.56Å; V190-V271 WeakPolarHBondContact CA-O 3.37Å; V190-V271 HydrophobicContact CB-CB 4.29Å; V190-V271 HydrophobicContact CG1-CB 4.16Å; V190-V271 HydrophobicContact CG1-CG1 3.96Å; V190-V271 HydrophobicContact CG2-CB 4.04Å; V190-V271 HydrophobicContact CG2-CG1 4.45Å; V190-V271 HydrophobicContact CG2-CG2 4.36Å
191	V	95.9	Very high	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.5	171.4	-173.9	0	0	0	0	108.3	V243 P245 L248 V271 I272 D273 M292	V191-V243 WeakPolarHBondContact CA-O 3.18Å; V191-V243 HydrophobicContact CG2-CG1 3.96Å; V191-P245 HydrophobicContact CG1-CB 4.21Å; V191-P245 HydrophobicContact CG1-CG 3.74Å; V191-L248 HydrophobicContact CG2-CD2 3.75Å; V191-V271 PolarHBondContact N-O 2.77Å; V191-I272 HydrophobicContact CB-CD1 3.88Å; V191-I272 HydrophobicContact CG2-CD1 3.74Å; V191-D273 WeakPolarHBondContact O-CB 3.5Å; V191-D273 PolarHBondContact O-N 3.02Å; V191-M292 HydrophobicContact CB-SD 4.49Å; V191-M292 HydrophobicContact CG1-SD 3.91Å; V191-M292 HydrophobicContact CG2-SD 4.05Å
192	S	93.2	Very high	89.9	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.007	15%	0.154	C	C	.	.			trans	-140.2	142.5	-178.5	-174.2	0	0	0	0	110.3	L194 L197 V243 Y289	S192-L194 PolarHBondContact O-N 2.84Å; S192-L197 WeakPolarHBondContact OG-CD2 3.43Å; S192-V243 PolarHBondContact N-O 3.36Å; S192-Y289 WeakPolarHBondContact CA-OH 3.31Å
193	P	85.9	Confident	89.6	Confident	7 Å²	7	32.5 Å²	32.5	5%	0.045	17%	0.171	C	C	.	.	S	Bend	trans	-76.3	-25.4	-166.6	28.9	-32.4	0	0	0	113.5	E274 Y289 M427	P193-E274 HydrophobicContact CG-CB 3.99Å; P193-E274 HydrophobicContact CG-CG 4.06Å; P193-Y289 HydrophobicContact CB-CE2 3.87Å; P193-Y289 WeakPolarHBondContact CD-OH 3.26Å; P193-M427 HydrophobicContact CG-SD 3.88Å
194	L	80.1	Confident	89.5	Confident	39 Å²	39	35.4 Å²	35.4	20%	0.204	18%	0.182	C	C	.	.			trans	-119.7	135.2	-172.7	-66.3	-164.1	0	0	0	112.4	S192 S196 L197 I198 M427	S192-L194 PolarHBondContact O-N 2.84Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 3.33Å; L194-L197 HydrophobicContact CB-CB 4.14Å; L194-L197 PolarHBondContact O-N 3.46Å; L194-I198 WeakPolarHBondContact O-CG1 3.43Å; L194-I198 PolarHBondContact O-N 3.04Å; L194-I198 VanDerWaalsContact O-N 3.09Å; L194-M427 HydrophobicContact CD1-CB 3.48Å; L194-M427 VanDerWaalsContact CD1-CB 3.48Å; L194-M427 HydrophobicContact CD1-CE 3.61Å; L194-M427 HydrophobicContact CD1-CG 3.7Å; L194-M427 HydrophobicContact CD1-SD 3.83Å; L194-M427 HydrophobicContact CD2-CE 3.6Å; L194-M427 HydrophobicContact CD2-SD 4.46Å; L194-M427 HydrophobicContact CG-CB 4.17Å; L194-M427 HydrophobicContact CG-CE 3.52Å; L194-M427 HydrophobicContact CG-CG 4.29Å; L194-M427 HydrophobicContact CG-SD 3.75Å
195	K	79.6	Confident	89.5	Confident	109 Å²	109	33.7 Å²	33.7	47%	0.474	17%	0.173	S	C	.	.	H	α-helix	trans	-57.2	-42.4	172.2	-56.7	-169.7	179.4	172.6	0	112.3	L197 I198 E199 T244	K195-L197 VanDerWaalsContact C-N 3.33Å; K195-L197 PolarHBondContact O-N 2.84Å; K195-I198 WeakPolarHBondContact O-CB 3.23Å; K195-I198 PolarHBondContact O-N 2.9Å; K195-E199 WeakPolarHBondContact O-CG 3.41Å; K195-E199 PolarHBondContact O-N 2.68Å; K195-T244 HydrophobicContact CG-CG2 4.4Å
196	S	75.6	Confident	89.6	Confident	39 Å²	39	34.4 Å²	34.4	27%	0.273	17%	0.168	S	C	.	.	H	α-helix	trans	-60.8	-40.9	178.5	52.6	0	0	0	0	112.6	L194 E199 D200	L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 3.33Å; S196-E199 PolarHBondContact O-N 3.07Å; S196-D200 PolarHBondContact O-N 3.17Å; S196-D200 VanDerWaalsContact O-N 3.08Å
197	L	81	Confident	89.5	Confident	16 Å²	16	38 Å²	38	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-39.8	177.1	-179.9	60.7	0	0	0	111.1	S192 L194 K195 Q201	S192-L197 WeakPolarHBondContact OG-CD2 3.43Å; L194-L197 HydrophobicContact CB-CB 4.14Å; L194-L197 PolarHBondContact O-N 3.46Å; K195-L197 VanDerWaalsContact C-N 3.33Å; K195-L197 PolarHBondContact O-N 2.84Å; L197-Q201 WeakPolarHBondContact O-CG 3.19Å; L197-Q201 PolarHBondContact O-N 3.33Å; L197-Q201 VanDerWaalsContact O-N 3.12Å
198	I	88.2	Confident	89.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-49.2	174.6	-70.3	173.5	0	0	0	111.1	L194 K195 D200 Q201 V202 Y242 T244	L194-I198 WeakPolarHBondContact O-CG1 3.43Å; L194-I198 PolarHBondContact O-N 3.04Å; L194-I198 VanDerWaalsContact O-N 3.09Å; K195-I198 WeakPolarHBondContact O-CB 3.23Å; K195-I198 PolarHBondContact O-N 2.9Å; I198-D200 PolarHBondContact O-N 3.06Å; I198-Q201 PolarHBondContact O-N 3.45Å; I198-V202 HydrophobicContact CG2-CG2 4.28Å; I198-V202 WeakPolarHBondContact O-CB 3.46Å; I198-V202 WeakPolarHBondContact O-CG2 3.32Å; I198-V202 PolarHBondContact O-N 3.26Å; I198-Y242 HydrophobicContact CG1-CD1 4.43Å; I198-Y242 VanDerWaalsContact CG2-CB 3.43Å; I198-Y242 HydrophobicContact CG2-CG 4.19Å; I198-T244 HydrophobicContact CD1-CG2 3.75Å
199	E	84	Confident	89.3	Confident	94 Å²	94	49.4 Å²	49.4	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-46.1	-179.1	-74.4	169	-167.7	0	0	111.5	K195 S196 Q201 V202 Q203	K195-E199 WeakPolarHBondContact O-CG 3.41Å; K195-E199 PolarHBondContact O-N 2.68Å; S196-E199 PolarHBondContact O-N 3.07Å; E199-Q201 PolarHBondContact O-N 3.48Å; E199-V202 PolarHBondContact O-N 2.65Å; E199-Q203 WeakPolarHBondContact O-CB 3.35Å; E199-Q203 VanDerWaalsContact O-CG 3.31Å; E199-Q203 WeakPolarHBondContact O-CG 3.38Å; E199-Q203 PolarHBondContact O-N 2.93Å
200	D	83.1	Confident	89.1	Confident	50 Å²	50	50.1 Å²	50.1	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-43.2	177.3	-77.9	-5.2	0	0	0	111.7	S196 I198 K204 G428	S196-D200 PolarHBondContact O-N 3.17Å; S196-D200 VanDerWaalsContact O-N 3.08Å; I198-D200 PolarHBondContact O-N 3.06Å; D200-K204 WeakPolarHBondContact O-CB 3.38Å; D200-K204 PolarHBondContact O-N 2.68Å; D200-G428 VanDerWaalsContact OD2-O 3.13Å
201	Q	90.7	Very high	88.9	Confident	22 Å²	22	51.5 Å²	51.5	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-40.5	177.8	-66.5	-56.8	-36.5	0	0	112.2	L197 I198 E199 K204 M205 Y242	L197-Q201 WeakPolarHBondContact O-CG 3.19Å; L197-Q201 PolarHBondContact O-N 3.33Å; L197-Q201 VanDerWaalsContact O-N 3.12Å; I198-Q201 PolarHBondContact O-N 3.45Å; E199-Q201 PolarHBondContact O-N 3.48Å; Q201-K204 PolarHBondContact O-N 2.89Å; Q201-M205 VanDerWaalsContact O-CG 3.31Å; Q201-M205 WeakPolarHBondContact O-CG 3.42Å; Q201-M205 PolarHBondContact O-N 3.45Å; Q201-Y242 HydrophobicContact CB-CD1 4.42Å; Q201-Y242 HydrophobicContact CB-CE1 3.66Å; Q201-Y242 HydrophobicContact CB-CE2 4.28Å; Q201-Y242 HydrophobicContact CG-CE1 4.1Å
202	V	91.7	Very high	88.9	Confident	10 Å²	10	51.6 Å²	51.6	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-46.4	178	168.9	0	0	0	0	110.8	I198 E199 K204 M205 Q206 A212 Y242	I198-V202 HydrophobicContact CG2-CG2 4.28Å; I198-V202 WeakPolarHBondContact O-CB 3.46Å; I198-V202 WeakPolarHBondContact O-CG2 3.32Å; I198-V202 PolarHBondContact O-N 3.26Å; E199-V202 PolarHBondContact O-N 2.65Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.8Å; V202-M205 PolarHBondContact O-N 2.99Å; V202-Q206 HydrophobicContact CG1-CG 4.28Å; V202-Q206 WeakPolarHBondContact O-CB 3.46Å; V202-Q206 VanDerWaalsContact O-CG 3.28Å; V202-Q206 WeakPolarHBondContact O-CG 3.37Å; V202-Q206 PolarHBondContact O-N 2.91Å; V202-A212 HydrophobicContact CG1-CB 4.49Å; V202-Y242 HydrophobicContact CG2-CD2 3.49Å; V202-Y242 VanDerWaalsContact CG2-CD2 3.49Å; V202-Y242 HydrophobicContact CG2-CE2 4.04Å; V202-Y242 HydrophobicContact CG2-CG 4.11Å
203	Q	89.7	Confident	88.8	Confident	116 Å²	116	53 Å²	53	54%	0.542	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-43.4	176.2	-73.4	177.2	15.4	0	0	111.5	E199 M205 Q206 A207	E199-Q203 WeakPolarHBondContact O-CB 3.35Å; E199-Q203 VanDerWaalsContact O-CG 3.31Å; E199-Q203 WeakPolarHBondContact O-CG 3.38Å; E199-Q203 PolarHBondContact O-N 2.93Å; Q203-M205 PolarHBondContact O-N 3.24Å; Q203-Q206 PolarHBondContact O-N 3.22Å; Q203-A207 WeakPolarHBondContact O-CB 3.42Å; Q203-A207 PolarHBondContact O-N 3.27Å
204	K	91.1	Very high	89	Confident	101 Å²	101	54.3 Å²	54.3	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-46.5	176.5	-175	177.2	-178.6	176.6	0	112.1	D200 Q201 V202 A207 L208	D200-K204 WeakPolarHBondContact O-CB 3.38Å; D200-K204 PolarHBondContact O-N 2.68Å; Q201-K204 PolarHBondContact O-N 2.89Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.8Å; K204-A207 PolarHBondContact O-N 2.94Å; K204-L208 WeakPolarHBondContact O-CG 3.41Å; K204-L208 PolarHBondContact O-N 3.32Å
205	M	95.3	Very high	89.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-38.3	179.7	-65.4	-52.6	-57.4	0	0	112.3	F141 Q178 Q201 V202 Q203 A207 L208 Q209 V210 A212 L240	F141-M205 HydrophobicContact CE1-CE 4.23Å; F141-M205 HydrophobicContact CE1-SD 4.37Å; F141-M205 HydrophobicContact CZ-CE 4.19Å; Q178-M205 HydrophobicContact CB-CE 4.36Å; Q178-M205 HydrophobicContact CB-SD 4.16Å; Q178-M205 VanDerWaalsContact CD-SD 3.51Å; Q178-M205 HydrophobicContact CG-CE 4.48Å; Q178-M205 HydrophobicContact CG-SD 3.8Å; Q201-M205 VanDerWaalsContact O-CG 3.31Å; Q201-M205 WeakPolarHBondContact O-CG 3.42Å; Q201-M205 PolarHBondContact O-N 3.45Å; V202-M205 PolarHBondContact O-N 2.99Å; Q203-M205 PolarHBondContact O-N 3.24Å; M205-A207 VanDerWaalsContact C-N 3.35Å; M205-L208 CarbonylContact O-C 3.44Å; M205-L208 PolarHBondContact O-N 3.07Å; M205-L208 VanDerWaalsContact O-N 3.14Å; M205-Q209 PolarHBondContact O-N 3.27Å; M205-V210 CarbonylContact C-O 3.57Å; M205-V210 HydrophobicContact CB-CB 4.37Å; M205-V210 HydrophobicContact CE-CB 3.59Å; M205-V210 HydrophobicContact CE-CG1 3.58Å; M205-V210 HydrophobicContact CE-CG2 3.8Å; M205-V210 PolarHBondContact O-N 2.83Å; M205-A212 HydrophobicContact CB-CB 3.58Å; M205-A212 HydrophobicContact CG-CB 4.25Å; M205-L240 HydrophobicContact CE-CD1 3.73Å; M205-L240 HydrophobicContact CG-CD1 3.87Å; M205-L240 HydrophobicContact SD-CD1 4.17Å
206	Q	93.8	Very high	89	Confident	108 Å²	108	48.1 Å²	48.1	51%	0.505	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-37.8	175.6	-72.9	174.8	-8.4	0	0	112.1	V202 Q203 L208 Q209 A212	V202-Q206 HydrophobicContact CG1-CG 4.28Å; V202-Q206 WeakPolarHBondContact O-CB 3.46Å; V202-Q206 VanDerWaalsContact O-CG 3.28Å; V202-Q206 WeakPolarHBondContact O-CG 3.37Å; V202-Q206 PolarHBondContact O-N 2.91Å; Q203-Q206 PolarHBondContact O-N 3.22Å; Q206-L208 PolarHBondContact O-N 3.14Å; Q206-Q209 WeakPolarHBondContact O-CA 3.39Å; Q206-Q209 PolarHBondContact O-N 3.49Å; Q206-A212 PolarHBondContact NE2-O 3.1Å
207	A	93.5	Very high	88.6	Confident	84 Å²	84	47.3 Å²	47.3	69%	0.694	26%	0.26	S	S	*	.	H	α-helix	trans	-62.8	-29.9	173.4	0	0	0	0	0	112.5	Q203 K204 M205 Q209	Q203-A207 WeakPolarHBondContact O-CB 3.42Å; Q203-A207 PolarHBondContact O-N 3.27Å; K204-A207 PolarHBondContact O-N 2.94Å; M205-A207 VanDerWaalsContact C-N 3.35Å; A207-Q209 PolarHBondContact O-N 2.98Å
208	L	94.1	Very high	87.6	Confident	57 Å²	57	56.1 Å²	56.1	30%	0.298	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	9.8	171.5	-58.6	178.6	0	0	0	113.1	V140 F141 K204 M205 Q206 V210	V140-L208 WeakPolarHBondContact O-CD2 3.31Å; F141-L208 HydrophobicContact CD1-CD1 3.81Å; F141-L208 HydrophobicContact CE1-CD1 4.03Å; K204-L208 WeakPolarHBondContact O-CG 3.41Å; K204-L208 PolarHBondContact O-N 3.32Å; M205-L208 CarbonylContact O-C 3.44Å; M205-L208 PolarHBondContact O-N 3.07Å; M205-L208 VanDerWaalsContact O-N 3.14Å; Q206-L208 PolarHBondContact O-N 3.14Å; L208-V210 HydrophobicContact CB-CG2 4.32Å; L208-V210 PolarHBondContact O-N 3.25Å
209	Q	93.6	Very high	86.6	Confident	185 Å²	185	58.1 Å²	58.1	86%	0.864	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	24.6	-176.6	-56.1	179.5	-11.4	0	0	114.2	M205 Q206 A207	M205-Q209 PolarHBondContact O-N 3.27Å; Q206-Q209 WeakPolarHBondContact O-CA 3.39Å; Q206-Q209 PolarHBondContact O-N 3.49Å; A207-Q209 PolarHBondContact O-N 2.98Å
210	V	94.1	Very high	85.9	Confident	15 Å²	15	56.7 Å²	56.7	9%	0.091	31%	0.312	C	S	.	.			trans	-94.1	128.2	173.9	-179.8	0	0	0	0	109.3	V140 V182 M205 L208 A212 K239	V140-V210 HydrophobicContact CG1-CG2 3.85Å; V182-V210 HydrophobicContact CG2-CG1 3.93Å; V182-V210 HydrophobicContact CG2-CG2 3.94Å; M205-V210 CarbonylContact C-O 3.57Å; M205-V210 HydrophobicContact CB-CB 4.37Å; M205-V210 HydrophobicContact CE-CB 3.59Å; M205-V210 HydrophobicContact CE-CG1 3.58Å; M205-V210 HydrophobicContact CE-CG2 3.8Å; M205-V210 PolarHBondContact O-N 2.83Å; L208-V210 HydrophobicContact CB-CG2 4.32Å; L208-V210 PolarHBondContact O-N 3.25Å; V210-A212 PolarHBondContact O-N 3.19Å; V210-K239 HydrophobicContact CG1-CB 4.14Å; V210-K239 HydrophobicContact CG1-CG 4.37Å
211	G	93.5	Very high	85.4	Confident	28 Å²	28	57.8 Å²	57.8	29%	0.289	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	104.4	177.6	0	0	0	0	0	111.9	K239 L240	G211-K239 PolarHBondContact O-N 3.47Å; G211-L240 PolarHBondContact O-N 3.27Å; G211-L240 VanDerWaalsContact O-N 3.14Å
212	A	94.8	Very high	84.8	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.8	176.8	0	0	0	0	0	110.6	V202 M205 Q206 V210 L240 Y242	V202-A212 HydrophobicContact CG1-CB 4.49Å; M205-A212 HydrophobicContact CB-CB 3.58Å; M205-A212 HydrophobicContact CG-CB 4.25Å; Q206-A212 PolarHBondContact NE2-O 3.1Å; V210-A212 PolarHBondContact O-N 3.19Å; A212-L240 VanDerWaalsContact CA-O 3.32Å; A212-L240 WeakPolarHBondContact CA-O 3.38Å; A212-L240 HydrophobicContact CB-CB 4.04Å; A212-Y242 HydrophobicContact CB-CE2 4.49Å
213	V	92.1	Very high	84.1	Confident	31 Å²	31	66.8 Å²	66.8	19%	0.188	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.3	-178.3	-176.6	0	0	0	0	110.3	L227 T238 L240 I241 Y242	V213-L227 HydrophobicContact CB-CD1 4.17Å; V213-L227 HydrophobicContact CG1-CD1 3.92Å; V213-L227 HydrophobicContact CG1-CD2 4.21Å; V213-L227 HydrophobicContact CG2-CD1 3.83Å; V213-T238 HydrophobicContact CG2-CG2 4.07Å; V213-L240 PolarHBondContact N-O 3.3Å; V213-I241 WeakPolarHBondContact O-CA 3.5Å; V213-Y242 PolarHBondContact O-N 3.46Å
214	S	90.5	Very high	83.5	Confident	34 Å²	34	62.8 Å²	62.8	24%	0.238	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.8	168.8	67.1	0	0	0	0	110.9	I219 Y242	S214-I219 WeakPolarHBondContact O-CD1 3.49Å; S214-Y242 CarbonylContact C-O 3.51Å
215	L	84.4	Confident	83.1	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	52.4	166.4	-69.3	-177	0	0	0	110.7	I219 L224 L227 I241 Y242 V243 L254	L215-I219 VanDerWaalsContact CA-CD1 3.42Å; L215-I219 HydrophobicContact CB-CD1 4.37Å; L215-I219 HydrophobicContact CD2-CD1 3.6Å; L215-L224 HydrophobicContact CD2-CD1 3.8Å; L215-L227 HydrophobicContact CD1-CD2 4.09Å; L215-L227 HydrophobicContact CD2-CD2 3.62Å; L215-L227 HydrophobicContact CG-CD2 4.1Å; L215-I241 HydrophobicContact CB-CG2 4.43Å; L215-I241 HydrophobicContact CD1-CG2 3.58Å; L215-I241 HydrophobicContact CG-CG2 3.89Å; L215-Y242 WeakPolarHBondContact CA-O 3.38Å; L215-Y242 PolarHBondContact N-O 3.31Å; L215-V243 HydrophobicContact CB-CB 4.32Å; L215-V243 HydrophobicContact CB-CG2 4.11Å; L215-L254 HydrophobicContact CD1-CD1 3.54Å; L215-L254 HydrophobicContact CD1-CD2 4.14Å; L215-L254 HydrophobicContact CD1-CG 4.47Å
216	S	73.5	Confident	82.6	Confident	13 Å²	13	67.9 Å²	67.9	9%	0.091	38%	0.384	C	S	.	.			trans	-113	114	-177.7	53.7	0	0	0	0	111.7
217	G	68.9	Low	82.2	Confident	21 Å²	21	63.3 Å²	63.3	22%	0.216	36%	0.362	C	S	.	.	S	Bend	trans	82.6	-144.2	172.8	0	0	0	0	0	116.5	I219	G217-I219 VanDerWaalsContact C-N 3.3Å; G217-I219 PolarHBondContact O-N 2.95Å
218	E	59.2	Low	81.8	Confident	202 Å²	202	61.7 Å²	61.7	94%	0.944	34%	0.34	S	S	*	.			trans	-77.8	73.3	-178.5	-69.5	179.5	-169.6	0	0	111
219	I	67.3	Low	81.4	Confident	42 Å²	42	63.4 Å²	63.4	22%	0.215	35%	0.352	C	S	.	.			trans	-77.5	129.8	164.6	-63.8	172.7	0	0	0	106.6	S214 L215 G217 A221 K223	S214-I219 WeakPolarHBondContact O-CD1 3.49Å; L215-I219 VanDerWaalsContact CA-CD1 3.42Å; L215-I219 HydrophobicContact CB-CD1 4.37Å; L215-I219 HydrophobicContact CD2-CD1 3.6Å; G217-I219 VanDerWaalsContact C-N 3.3Å; G217-I219 PolarHBondContact O-N 2.95Å; I219-A221 PolarHBondContact O-N 3.14Å; I219-K223 HydrophobicContact CG2-CB 3.73Å; I219-K223 HydrophobicContact CG2-CD 4.34Å; I219-K223 HydrophobicContact CG2-CG 4.04Å
220	S	68.2	Low	81.2	Confident	64 Å²	64	58.5 Å²	58.5	45%	0.448	33%	0.329	S	S	.	.			trans	-54.9	139.3	176.2	72.2	0	0	0	0	109.4	T222 K223 L224	S220-T222 PolarHBondContact O-N 2.8Å; S220-T222 VanDerWaalsContact O-N 3.11Å; S220-T222 PolarHBondContact OG-OG1 3.12Å; S220-K223 PolarHBondContact O-N 2.88Å; S220-K223 WeakPolarHBondContact OG-CB 3.45Å; S220-K223 PolarHBondContact OG-N 3.06Å; S220-L224 PolarHBondContact O-N 2.84Å; S220-L224 VanDerWaalsContact O-N 3.13Å
221	A	73	Confident	80.9	Confident	72 Å²	72	57.9 Å²	57.9	60%	0.595	33%	0.325	S	S	*	.	H	α-helix	trans	-50.6	-40.5	179.5	0	0	0	0	0	111.4	I219 K223 L224 D225	I219-A221 PolarHBondContact O-N 3.14Å; A221-K223 PolarHBondContact O-N 3.5Å; A221-L224 WeakPolarHBondContact O-CB 3.35Å; A221-L224 PolarHBondContact O-N 2.98Å; A221-L224 VanDerWaalsContact O-N 3.17Å; A221-D225 PolarHBondContact O-N 3.32Å
222	T	78.6	Confident	80.6	Confident	94 Å²	94	62 Å²	62	58%	0.577	33%	0.333	S	S	*	.	H	α-helix	trans	-55.4	-42.1	173.9	35.2	0	0	0	0	114.4	S220 D225 Q226	S220-T222 PolarHBondContact O-N 2.8Å; S220-T222 VanDerWaalsContact O-N 3.11Å; S220-T222 PolarHBondContact OG-OG1 3.12Å; T222-D225 PolarHBondContact O-N 3.44Å; T222-Q226 WeakPolarHBondContact O-CB 3.48Å; T222-Q226 VanDerWaalsContact O-CG 3.26Å; T222-Q226 WeakPolarHBondContact O-CG 3.42Å; T222-Q226 PolarHBondContact O-N 2.91Å
223	K	77.5	Confident	80.2	Confident	128 Å²	128	66.4 Å²	66.4	56%	0.557	35%	0.353	S	S	*	.	H	α-helix	trans	-75.3	-32.1	-179.6	-170.4	166.6	-173.4	175	0	111.4	I219 S220 A221 L227	I219-K223 HydrophobicContact CG2-CB 3.73Å; I219-K223 HydrophobicContact CG2-CD 4.34Å; I219-K223 HydrophobicContact CG2-CG 4.04Å; S220-K223 PolarHBondContact O-N 2.88Å; S220-K223 WeakPolarHBondContact OG-CB 3.45Å; S220-K223 PolarHBondContact OG-N 3.06Å; A221-K223 PolarHBondContact O-N 3.5Å; K223-L227 WeakPolarHBondContact O-CB 3.4Å; K223-L227 PolarHBondContact O-N 3.25Å
224	L	76.8	Confident	79.5	Confident	31 Å²	31	74.5 Å²	74.5	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-43.2	171.1	-169.4	75.3	0	0	0	111	L215 S220 A221 L227 K228	L215-L224 HydrophobicContact CD2-CD1 3.8Å; S220-L224 PolarHBondContact O-N 2.84Å; S220-L224 VanDerWaalsContact O-N 3.13Å; A221-L224 WeakPolarHBondContact O-CB 3.35Å; A221-L224 PolarHBondContact O-N 2.98Å; A221-L224 VanDerWaalsContact O-N 3.17Å; L224-L227 WeakPolarHBondContact O-CB 3.24Å; L224-L227 PolarHBondContact O-N 3.35Å; L224-K228 WeakPolarHBondContact O-CG 3.37Å; L224-K228 PolarHBondContact O-N 3.45Å
225	D	82.6	Confident	79.2	Confident	83 Å²	83	83.3 Å²	83.3	44%	0.444	41%	0.414	S	S	.	.	H	α-helix	trans	-67.3	-41	178.7	-69	-27.5	0	0	0	111.9	A221 T222 L227 K228 V229	A221-D225 PolarHBondContact O-N 3.32Å; T222-D225 PolarHBondContact O-N 3.44Å; D225-L227 VanDerWaalsContact C-N 3.31Å; D225-L227 PolarHBondContact O-N 2.92Å; D225-K228 WeakPolarHBondContact O-CB 3.49Å; D225-K228 PolarHBondContact O-N 3.42Å; D225-V229 WeakPolarHBondContact O-CG2 3.24Å; D225-V229 PolarHBondContact O-N 3.34Å
226	Q	85	Confident	79.3	Confident	126 Å²	126	84.4 Å²	84.4	59%	0.589	42%	0.42	S	S	*	.	H	α-helix	trans	-59.1	-43.4	171.3	-75.3	172.3	-2.5	0	0	111.8	T222 V229 Q230	T222-Q226 WeakPolarHBondContact O-CB 3.48Å; T222-Q226 VanDerWaalsContact O-CG 3.26Å; T222-Q226 WeakPolarHBondContact O-CG 3.42Å; T222-Q226 PolarHBondContact O-N 2.91Å; Q226-V229 PolarHBondContact O-N 3.14Å; Q226-Q230 WeakPolarHBondContact O-CG 3.29Å; Q226-Q230 PolarHBondContact O-N 3.06Å
227	L	84.8	Confident	80	Confident	11 Å²	11	88.2 Å²	88.2	6%	0.058	44%	0.443	C	S	.	.	H	α-helix	trans	-62.9	-45.8	175.7	-171.5	75.3	0	0	0	110.6	V213 L215 K223 L224 D225 V229 Q230 L231	V213-L227 HydrophobicContact CB-CD1 4.17Å; V213-L227 HydrophobicContact CG1-CD1 3.92Å; V213-L227 HydrophobicContact CG1-CD2 4.21Å; V213-L227 HydrophobicContact CG2-CD1 3.83Å; L215-L227 HydrophobicContact CD1-CD2 4.09Å; L215-L227 HydrophobicContact CD2-CD2 3.62Å; L215-L227 HydrophobicContact CG-CD2 4.1Å; K223-L227 WeakPolarHBondContact O-CB 3.4Å; K223-L227 PolarHBondContact O-N 3.25Å; L224-L227 WeakPolarHBondContact O-CB 3.24Å; L224-L227 PolarHBondContact O-N 3.35Å; D225-L227 VanDerWaalsContact C-N 3.31Å; D225-L227 PolarHBondContact O-N 2.92Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.4Å; L227-Q230 WeakPolarHBondContact O-CB 3.27Å; L227-Q230 PolarHBondContact O-N 2.95Å; L227-Q230 VanDerWaalsContact O-N 3.12Å; L227-L231 HydrophobicContact CD2-CD1 4.02Å; L227-L231 HydrophobicContact CG-CD1 3.77Å; L227-L231 HydrophobicContact CG-CG 4.15Å; L227-L231 WeakPolarHBondContact O-CG 3.5Å; L227-L231 PolarHBondContact O-N 3.47Å
228	K	85.2	Confident	81.1	Confident	51 Å²	51	87.6 Å²	87.6	22%	0.222	43%	0.434	C	S	.	.	H	α-helix	trans	-54.4	-51.2	175.3	-75.5	178.4	178.7	178	0	110.6	L224 D225 Q230 L231 Y232 V257	L224-K228 WeakPolarHBondContact O-CG 3.37Å; L224-K228 PolarHBondContact O-N 3.45Å; D225-K228 WeakPolarHBondContact O-CB 3.49Å; D225-K228 PolarHBondContact O-N 3.42Å; K228-Q230 VanDerWaalsContact C-N 3.26Å; K228-Q230 PolarHBondContact O-N 3.21Å; K228-L231 PolarHBondContact O-N 3.38Å; K228-Y232 WeakPolarHBondContact O-CD2 3.48Å; K228-Y232 PolarHBondContact O-N 3.27Å; K228-V257 HydrophobicContact CD-CG2 4.44Å; K228-V257 HydrophobicContact CG-CG2 3.78Å
229	V	86.8	Confident	82.9	Confident	93 Å²	93	80.4 Å²	80.4	56%	0.564	40%	0.4	S	S	*	.	H	α-helix	trans	-55	-43.9	178.3	173.2	0	0	0	0	111.2	D225 Q226 L227 L231 Y232 Q233	D225-V229 WeakPolarHBondContact O-CG2 3.24Å; D225-V229 PolarHBondContact O-N 3.34Å; Q226-V229 PolarHBondContact O-N 3.14Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.4Å; V229-L231 PolarHBondContact O-N 3.49Å; V229-Y232 PolarHBondContact O-N 2.9Å; V229-Q233 WeakPolarHBondContact O-CG 3.15Å; V229-Q233 PolarHBondContact O-N 3.01Å
230	Q	87.9	Confident	84.3	Confident	81 Å²	81	78.4 Å²	78.4	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-38.7	175.8	-72.1	-179.7	-18.8	0	0	113.2	Q226 L227 K228 Y232 Q233	Q226-Q230 WeakPolarHBondContact O-CG 3.29Å; Q226-Q230 PolarHBondContact O-N 3.06Å; L227-Q230 WeakPolarHBondContact O-CB 3.27Å; L227-Q230 PolarHBondContact O-N 2.95Å; L227-Q230 VanDerWaalsContact O-N 3.12Å; K228-Q230 VanDerWaalsContact C-N 3.26Å; K228-Q230 PolarHBondContact O-N 3.21Å; Q230-Y232 VanDerWaalsContact C-N 3.35Å; Q230-Q233 WeakPolarHBondContact O-CB 3.36Å; Q230-Q233 PolarHBondContact O-N 3.48Å
231	L	88.8	Confident	85.6	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-73.7	-26.2	-178.7	-64.7	177.4	0	0	0	112.9	I187 L227 K228 V229 Q233 L236 I241 V257 R264	I187-L231 HydrophobicContact CD1-CD2 3.14Å; L227-L231 HydrophobicContact CD2-CD1 4.02Å; L227-L231 HydrophobicContact CG-CD1 3.77Å; L227-L231 HydrophobicContact CG-CG 4.15Å; L227-L231 WeakPolarHBondContact O-CG 3.5Å; L227-L231 PolarHBondContact O-N 3.47Å; K228-L231 PolarHBondContact O-N 3.38Å; V229-L231 PolarHBondContact O-N 3.49Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-L236 HydrophobicContact CD2-CD2 4.34Å; L231-I241 HydrophobicContact CD1-CD1 3.84Å; L231-I241 HydrophobicContact CD2-CD1 4.01Å; L231-V257 HydrophobicContact CB-CG1 4.14Å; L231-V257 HydrophobicContact CD1-CG1 3.52Å; L231-V257 HydrophobicContact CG-CG1 4.46Å; L231-R264 PolarHBondContact O-NH1 2.84Å
232	Y	86.9	Confident	86.6	Confident	116 Å²	116	72 Å²	72	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-78.3	-15.1	174.2	-84.2	-107.5	0	0	0	113	K228 V229 Q230 V257 N260 R264	K228-Y232 WeakPolarHBondContact O-CD2 3.48Å; K228-Y232 PolarHBondContact O-N 3.27Å; V229-Y232 PolarHBondContact O-N 2.9Å; Q230-Y232 VanDerWaalsContact C-N 3.35Å; Y232-V257 HydrophobicContact CE2-CG2 4.19Å; Y232-N260 HydrophobicContact CE1-CB 4.35Å; Y232-R264 PolarHBondContact O-NH1 3.33Å
233	Q	85.6	Confident	87.3	Confident	95 Å²	95	67.5 Å²	67.5	44%	0.444	31%	0.313	S	S	.	.	S	Bend	trans	-68.7	147.8	175.5	-69.8	172.2	3.2	0	0	111.8	V229 Q230 L231 R235 R264	V229-Q233 WeakPolarHBondContact O-CG 3.15Å; V229-Q233 PolarHBondContact O-N 3.01Å; Q230-Q233 WeakPolarHBondContact O-CB 3.36Å; Q230-Q233 PolarHBondContact O-N 3.48Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; Q233-R235 VanDerWaalsContact C-N 3.34Å; Q233-R235 PolarHBondContact O-N 2.97Å; Q233-R264 PolarHBondContact O-NH2 3.27Å
234	K	79.2	Confident	88.1	Confident	200 Å²	200	61.9 Å²	61.9	87%	0.87	29%	0.289	S	S	*	.	S	Bend	trans	-61.8	-39.4	177.1	-76	-172.8	177.4	-178.8	0	112.7
235	R	83.4	Confident	88.8	Confident	220 Å²	220	60.4 Å²	60.4	83%	0.83	28%	0.281	S	S	*	.	S	Bend	trans	-101	110.5	179.5	-171.2	174.9	-178.3	168.5	0.2	109.5	Q233	Q233-R235 VanDerWaalsContact C-N 3.34Å; Q233-R235 PolarHBondContact O-N 2.97Å
236	L	87	Confident	89.1	Confident	28 Å²	28	59.6 Å²	59.6	15%	0.147	28%	0.275	C	S	.	.			trans	-86.3	127.4	-179.4	-62.5	169	0	0	0	110.4	I187 L231 L261 L266	I187-L236 HydrophobicContact CD1-CD1 3.99Å; I187-L236 HydrophobicContact CD1-CD2 4.26Å; I187-L236 HydrophobicContact CG1-CD1 3.71Å; L231-L236 HydrophobicContact CD2-CD2 4.34Å; L236-L261 HydrophobicContact CD1-CD2 4.25Å; L236-L266 HydrophobicContact CD1-CB 4.04Å; L236-L266 HydrophobicContact CD1-CD1 3.96Å; L236-L266 HydrophobicContact CD1-CD2 4.31Å; L236-L266 HydrophobicContact CD1-CG 4.33Å
237	T	87.8	Confident	89.3	Confident	93 Å²	93	56.8 Å²	56.8	57%	0.571	26%	0.261	S	S	*	.			trans	-85.4	-31.6	168.1	50.9	0	0	0	0	111.3
238	T	92.3	Very high	89.6	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	129	177.3	-56.1	0	0	0	0	111	V213 L240 I241	V213-T238 HydrophobicContact CG2-CG2 4.07Å; T238-L240 WeakPolarHBondContact CG2-O 3.17Å; T238-I241 HydrophobicContact CG2-CG1 3.98Å
239	K	95.5	Very high	89.7	Confident	51 Å²	51	55.1 Å²	55.1	22%	0.222	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-32.1	174.9	-66.6	-58.2	-159.7	159.9	0	112.8	A181 L184 I187 T188 V210 G211	A181-K239 WeakPolarHBondContact O-CD 3.45Å; L184-K239 PolarHBondContact O-NZ 2.85Å; I187-K239 WeakPolarHBondContact CA-O 3.4Å; T188-K239 PolarHBondContact N-O 2.57Å; V210-K239 HydrophobicContact CG1-CB 4.14Å; V210-K239 HydrophobicContact CG1-CG 4.37Å; G211-K239 PolarHBondContact O-N 3.47Å
240	L	96.9	Very high	89.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.3	-175.7	-75	156.8	0	0	0	111.1	Y177 Q178 A181 T188 V190 M205 G211 A212 V213 T238 Y242	Y177-L240 HydrophobicContact CD2-CD2 4.14Å; Y177-L240 HydrophobicContact CE2-CD2 4.29Å; Q178-L240 HydrophobicContact CG-CD1 4.36Å; A181-L240 HydrophobicContact CB-CD1 4.31Å; A181-L240 HydrophobicContact CB-CD2 3.71Å; A181-L240 HydrophobicContact CB-CG 3.85Å; T188-L240 HydrophobicContact CG2-CD2 3.98Å; T188-L240 WeakPolarHBondContact O-CA 3.35Å; V190-L240 HydrophobicContact CG2-CD2 3.79Å; M205-L240 HydrophobicContact CE-CD1 3.73Å; M205-L240 HydrophobicContact CG-CD1 3.87Å; M205-L240 HydrophobicContact SD-CD1 4.17Å; G211-L240 PolarHBondContact O-N 3.27Å; G211-L240 VanDerWaalsContact O-N 3.14Å; A212-L240 VanDerWaalsContact CA-O 3.32Å; A212-L240 WeakPolarHBondContact CA-O 3.38Å; A212-L240 HydrophobicContact CB-CB 4.04Å; V213-L240 PolarHBondContact N-O 3.3Å; T238-L240 WeakPolarHBondContact CG2-O 3.17Å; L240-Y242 HydrophobicContact CB-CD2 4.46Å; L240-Y242 HydrophobicContact CB-CE2 3.95Å
241	I	95.3	Very high	89.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.5	168.2	-62	177.9	0	0	0	107.7	I187 T188 L189 V190 V213 L215 L231 T238	I187-I241 HydrophobicContact CD1-CD1 4.11Å; I187-I241 HydrophobicContact CG2-CB 4.3Å; I187-I241 HydrophobicContact CG2-CD1 3.78Å; I187-I241 HydrophobicContact CG2-CG1 3.72Å; T188-I241 PolarHBondContact O-N 3.27Å; L189-I241 CarbonylContact C-O 3.49Å; L189-I241 WeakPolarHBondContact CA-O 3.45Å; L189-I241 HydrophobicContact CD1-CB 3.84Å; L189-I241 HydrophobicContact CD1-CG2 3.62Å; V190-I241 PolarHBondContact N-O 2.9Å; V213-I241 WeakPolarHBondContact O-CA 3.5Å; L215-I241 HydrophobicContact CB-CG2 4.43Å; L215-I241 HydrophobicContact CD1-CG2 3.58Å; L215-I241 HydrophobicContact CG-CG2 3.89Å; L231-I241 HydrophobicContact CD1-CD1 3.84Å; L231-I241 HydrophobicContact CD2-CD1 4.01Å; T238-I241 HydrophobicContact CG2-CG1 3.98Å
242	Y	95.4	Very high	89.5	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.5	173.7	-71.1	-97	0	0	0	109.9	Y177 Q178 V190 I198 Q201 V202 A212 V213 S214 L215 L240	Y177-Y242 HydrophobicContact CE2-CE1 4.34Å; Y177-Y242 WeakPolarHBondContact CE2-OH 3.45Å; Y177-Y242 PolarHBondContact OH-OH 3.13Å; Q178-Y242 PolarHBondContact NE2-OH 3.09Å; V190-Y242 HydrophobicContact CB-CD1 3.65Å; V190-Y242 HydrophobicContact CB-CE1 3.81Å; V190-Y242 HydrophobicContact CB-CG 4.19Å; V190-Y242 HydrophobicContact CG1-CD1 3.68Å; V190-Y242 HydrophobicContact CG1-CE1 3.64Å; V190-Y242 HydrophobicContact CG2-CD1 4.31Å; V190-Y242 HydrophobicContact CG2-CE1 4.06Å; V190-Y242 CarbonylContact O-C 3.47Å; V190-Y242 VanDerWaalsContact O-CA 3.27Å; V190-Y242 WeakPolarHBondContact O-CA 3.49Å; I198-Y242 HydrophobicContact CG1-CD1 4.43Å; I198-Y242 VanDerWaalsContact CG2-CB 3.43Å; I198-Y242 HydrophobicContact CG2-CG 4.19Å; Q201-Y242 HydrophobicContact CB-CD1 4.42Å; Q201-Y242 HydrophobicContact CB-CE1 3.66Å; Q201-Y242 HydrophobicContact CB-CE2 4.28Å; Q201-Y242 HydrophobicContact CG-CE1 4.1Å; V202-Y242 HydrophobicContact CG2-CD2 3.49Å; V202-Y242 VanDerWaalsContact CG2-CD2 3.49Å; V202-Y242 HydrophobicContact CG2-CE2 4.04Å; V202-Y242 HydrophobicContact CG2-CG 4.11Å; A212-Y242 HydrophobicContact CB-CE2 4.49Å; V213-Y242 PolarHBondContact O-N 3.46Å; S214-Y242 CarbonylContact C-O 3.51Å; L215-Y242 WeakPolarHBondContact CA-O 3.38Å; L215-Y242 PolarHBondContact N-O 3.31Å; L240-Y242 HydrophobicContact CB-CD2 4.46Å; L240-Y242 HydrophobicContact CB-CE2 3.95Å
243	V	93.9	Very high	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.9	-177.3	70	0	0	0	0	110.5	L189 V190 V191 S192 L215 K247 L248 L254	L189-V243 HydrophobicContact CD1-CB 4.38Å; L189-V243 HydrophobicContact CD1-CG1 3.92Å; L189-V243 HydrophobicContact CD2-CG1 4.37Å; L189-V243 HydrophobicContact CG-CG1 4.15Å; V190-V243 PolarHBondContact O-N 2.98Å; V191-V243 WeakPolarHBondContact CA-O 3.18Å; V191-V243 HydrophobicContact CG2-CG1 3.96Å; S192-V243 PolarHBondContact N-O 3.36Å; L215-V243 HydrophobicContact CB-CB 4.32Å; L215-V243 HydrophobicContact CB-CG2 4.11Å; V243-K247 HydrophobicContact CG2-CB 3.96Å; V243-K247 HydrophobicContact CG2-CG 4.2Å; V243-L248 HydrophobicContact CG1-CB 4.23Å; V243-L248 HydrophobicContact CG1-CD2 4.36Å; V243-L248 HydrophobicContact CG2-CB 4.14Å; V243-L254 HydrophobicContact CG2-CD2 3.75Å
244	T	92.5	Very high	89.5	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.055	24%	0.244	C	C	.	.			trans	-86.6	149.9	169.3	78.9	0	0	0	0	110.5	K195 I198 E246 K247 L248	K195-T244 HydrophobicContact CG-CG2 4.4Å; I198-T244 HydrophobicContact CD1-CG2 3.75Å; T244-E246 WeakPolarHBondContact CB-OE2 3.36Å; T244-E246 PolarHBondContact O-N 3.03Å; T244-E246 PolarHBondContact OG1-OE2 3.47Å; T244-K247 PolarHBondContact O-N 2.96Å; T244-K247 VanDerWaalsContact O-N 3.11Å; T244-K247 PolarHBondContact OG1-N 3.42Å; T244-L248 PolarHBondContact O-N 3.48Å
245	P	92	Very high	90.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-37.2	180	-18.3	24.6	0	0	0	113.2	V191 K247 L248 T249 D288 Y289 M292	V191-P245 HydrophobicContact CG1-CB 4.21Å; V191-P245 HydrophobicContact CG1-CG 3.74Å; P245-K247 VanDerWaalsContact C-N 3.35Å; P245-K247 PolarHBondContact O-N 3.15Å; P245-L248 PolarHBondContact O-N 3.19Å; P245-T249 WeakPolarHBondContact O-CB 3.24Å; P245-T249 VanDerWaalsContact O-CG2 3.3Å; P245-T249 WeakPolarHBondContact O-CG2 3.41Å; P245-T249 PolarHBondContact O-N 3.37Å; P245-T249 PolarHBondContact O-OG1 2.94Å; P245-D288 HydrophobicContact CB-CB 3.65Å; P245-Y289 HydrophobicContact CB-CD2 4.14Å; P245-Y289 HydrophobicContact CB-CE2 4.25Å; P245-Y289 HydrophobicContact CG-CD2 3.43Å; P245-Y289 VanDerWaalsContact CG-CD2 3.43Å; P245-Y289 HydrophobicContact CG-CE2 3.1Å; P245-Y289 HydrophobicContact CG-CG 4.32Å; P245-M292 HydrophobicContact CB-CE 4.19Å
246	E	90	Very high	90.4	Very high	66 Å²	66	33.3 Å²	33.3	31%	0.308	19%	0.19	S	C	.	.	H	α-helix	trans	-65.5	-40.6	179.9	-49.7	78.6	-172.7	0	0	110.7	T244 T249 A250 D288	T244-E246 WeakPolarHBondContact CB-OE2 3.36Å; T244-E246 PolarHBondContact O-N 3.03Å; T244-E246 PolarHBondContact OG1-OE2 3.47Å; E246-T249 PolarHBondContact O-OG1 3.12Å; E246-T249 VanDerWaalsContact O-OG1 3.07Å; E246-A250 WeakPolarHBondContact O-CB 3.12Å; E246-A250 PolarHBondContact O-N 3.26Å; E246-D288 HydrophobicContact CG-CB 4.31Å; E246-D288 WeakPolarHBondContact CG-OD2 3.32Å
247	K	88.6	Confident	90.5	Very high	68 Å²	68	32.2 Å²	32.2	30%	0.296	18%	0.184	S	C	.	.	H	α-helix	trans	-70	-41.9	178.8	-171.9	66.6	175.2	-172.4	0	111.3	V243 T244 P245 T249 A250 S251	V243-K247 HydrophobicContact CG2-CB 3.96Å; V243-K247 HydrophobicContact CG2-CG 4.2Å; T244-K247 PolarHBondContact O-N 2.96Å; T244-K247 VanDerWaalsContact O-N 3.11Å; T244-K247 PolarHBondContact OG1-N 3.42Å; P245-K247 VanDerWaalsContact C-N 3.35Å; P245-K247 PolarHBondContact O-N 3.15Å; K247-T249 VanDerWaalsContact C-N 3.31Å; K247-T249 PolarHBondContact O-N 3.48Å; K247-A250 PolarHBondContact O-N 2.94Å; K247-S251 WeakPolarHBondContact O-CB 3.35Å; K247-S251 PolarHBondContact O-N 3.4Å
248	L	90.9	Very high	90.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-40.3	178.7	-179.7	59.3	0	0	0	111.9	L189 V191 V243 T244 P245 L254 I255 L258 M292 L295	L189-L248 HydrophobicContact CD2-CD1 4.16Å; L189-L248 HydrophobicContact CD2-CD2 4.38Å; V191-L248 HydrophobicContact CG2-CD2 3.75Å; V243-L248 HydrophobicContact CG1-CB 4.23Å; V243-L248 HydrophobicContact CG1-CD2 4.36Å; V243-L248 HydrophobicContact CG2-CB 4.14Å; T244-L248 PolarHBondContact O-N 3.48Å; P245-L248 PolarHBondContact O-N 3.19Å; L248-L254 HydrophobicContact CD1-CD2 3.96Å; L248-L254 HydrophobicContact CD1-CG 4.41Å; L248-I255 HydrophobicContact CD1-CD1 3.96Å; L248-L258 HydrophobicContact CD1-CD1 3.88Å; L248-M292 HydrophobicContact CD2-CE 3.99Å; L248-M292 HydrophobicContact CD2-SD 3.76Å; L248-M292 HydrophobicContact CG-CE 4.48Å; L248-L295 HydrophobicContact CD2-CD1 4.07Å; L248-L295 HydrophobicContact CD2-CD2 4.11Å; L248-L295 HydrophobicContact CD2-CG 4.38Å
249	T	87.4	Confident	90.9	Very high	26 Å²	26	29.1 Å²	29.1	16%	0.16	16%	0.164	C	C	.	.	H	α-helix	trans	-78.2	-30.3	-179.9	52.3	0	0	0	0	113.7	P245 E246 K247 R291 M292 M294	P245-T249 WeakPolarHBondContact O-CB 3.24Å; P245-T249 VanDerWaalsContact O-CG2 3.3Å; P245-T249 WeakPolarHBondContact O-CG2 3.41Å; P245-T249 PolarHBondContact O-N 3.37Å; P245-T249 PolarHBondContact O-OG1 2.94Å; E246-T249 PolarHBondContact O-OG1 3.12Å; E246-T249 VanDerWaalsContact O-OG1 3.07Å; K247-T249 VanDerWaalsContact C-N 3.31Å; K247-T249 PolarHBondContact O-N 3.48Å; T249-R291 VanDerWaalsContact CB-CZ 3.45Å; T249-R291 HydrophobicContact CG2-CB 3.71Å; T249-R291 PolarHBondContact OG1-NH2 2.91Å; T249-M292 HydrophobicContact CG2-CE 3.61Å; T249-M294 HydrophobicContact CG2-SD 3.95Å
250	A	86.7	Confident	90.8	Very high	82 Å²	82	28.3 Å²	28.3	68%	0.678	16%	0.162	S	C	*	.	H	α-helix	trans	-89.2	-25	-178.4	0	0	0	0	0	114.2	E246 K247 T252	E246-A250 WeakPolarHBondContact O-CB 3.12Å; E246-A250 PolarHBondContact O-N 3.26Å; K247-A250 PolarHBondContact O-N 2.94Å; A250-T252 PolarHBondContact O-N 2.74Å
251	S	86.7	Confident	90.7	Very high	14 Å²	14	28.3 Å²	28.3	10%	0.098	16%	0.162	C	C	.	.			trans	-95	95.8	-168.8	-174.7	0	0	0	0	112.8	K247 S253 L254 I255	K247-S251 WeakPolarHBondContact O-CB 3.35Å; K247-S251 PolarHBondContact O-N 3.4Å; S251-S253 VanDerWaalsContact C-N 3.28Å; S251-S253 PolarHBondContact O-N 2.71Å; S251-S253 PolarHBondContact OG-OG 3.26Å; S251-L254 PolarHBondContact O-N 3.03Å; S251-L254 VanDerWaalsContact O-N 3.08Å; S251-L254 PolarHBondContact OG-N 3.48Å; S251-I255 PolarHBondContact O-N 3.08Å
252	T	85.5	Confident	90.8	Very high	107 Å²	107	31.2 Å²	31.2	66%	0.656	17%	0.173	S	C	*	.	H	α-helix	trans	-53.5	-44.6	171.9	47.8	0	0	0	0	112.3	A250 L254 I255 E256	A250-T252 PolarHBondContact O-N 2.74Å; T252-L254 PolarHBondContact O-N 3.14Å; T252-L254 VanDerWaalsContact O-N 3.16Å; T252-I255 WeakPolarHBondContact O-CA 3.4Å; T252-I255 WeakPolarHBondContact O-CB 3.36Å; T252-I255 PolarHBondContact O-N 2.66Å; T252-E256 PolarHBondContact O-N 2.65Å
253	S	85	Confident	90.8	Very high	21 Å²	21	38.4 Å²	38.4	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-25.1	179.3	72.1	0	0	0	0	115	S251 V257	S251-S253 VanDerWaalsContact C-N 3.28Å; S251-S253 PolarHBondContact O-N 2.71Å; S251-S253 PolarHBondContact OG-OG 3.26Å; S253-V257 VanDerWaalsContact O-CG2 3.27Å; S253-V257 WeakPolarHBondContact O-CG2 3.19Å; S253-V257 PolarHBondContact O-N 3.43Å
254	L	87.9	Confident	90.8	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-78.2	-39.7	175.2	176.3	56.9	0	0	0	109.7	L215 V243 L248 S251 T252 E256 V257 L258	L215-L254 HydrophobicContact CD1-CD1 3.54Å; L215-L254 HydrophobicContact CD1-CD2 4.14Å; L215-L254 HydrophobicContact CD1-CG 4.47Å; V243-L254 HydrophobicContact CG2-CD2 3.75Å; L248-L254 HydrophobicContact CD1-CD2 3.96Å; L248-L254 HydrophobicContact CD1-CG 4.41Å; S251-L254 PolarHBondContact O-N 3.03Å; S251-L254 VanDerWaalsContact O-N 3.08Å; S251-L254 PolarHBondContact OG-N 3.48Å; T252-L254 PolarHBondContact O-N 3.14Å; T252-L254 VanDerWaalsContact O-N 3.16Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 2.63Å; L254-V257 WeakPolarHBondContact O-CB 3.28Å; L254-V257 PolarHBondContact O-N 2.81Å; L254-L258 HydrophobicContact CD1-CG 4.46Å; L254-L258 HydrophobicContact CG-CD1 4.41Å; L254-L258 WeakPolarHBondContact O-CG 3.33Å; L254-L258 PolarHBondContact O-N 2.81Å
255	I	90.8	Very high	90.8	Very high	16 Å²	16	50.3 Å²	50.3	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-43.5	175.6	-60.9	-59	0	0	0	110.8	L248 S251 T252 V257 L258 D259 M294 R298	L248-I255 HydrophobicContact CD1-CD1 3.96Å; S251-I255 PolarHBondContact O-N 3.08Å; T252-I255 WeakPolarHBondContact O-CA 3.4Å; T252-I255 WeakPolarHBondContact O-CB 3.36Å; T252-I255 PolarHBondContact O-N 2.66Å; I255-V257 VanDerWaalsContact C-N 3.3Å; I255-V257 PolarHBondContact O-N 2.9Å; I255-L258 HydrophobicContact CD1-CD1 4.34Å; I255-L258 CarbonylContact O-C 3.57Å; I255-L258 WeakPolarHBondContact O-CA 3.45Å; I255-L258 WeakPolarHBondContact O-CB 3.23Å; I255-L258 PolarHBondContact O-N 3.02Å; I255-D259 PolarHBondContact O-N 3.3Å; I255-M294 HydrophobicContact CD1-CE 4.49Å; I255-R298 VanDerWaalsContact CG2-NE 3.34Å
256	E	90.1	Very high	91	Very high	103 Å²	103	51.9 Å²	51.9	48%	0.481	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-40.6	175	-70.3	166	-172.5	0	0	112.8	T252 L254 L258 D259 N260	T252-E256 PolarHBondContact O-N 2.65Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 2.63Å; E256-L258 VanDerWaalsContact C-N 3.34Å; E256-D259 PolarHBondContact O-N 2.96Å; E256-N260 PolarHBondContact O-N 2.97Å
257	V	90.2	Very high	91.3	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-40.8	175.3	170.3	0	0	0	0	110.9	K228 L231 Y232 S253 L254 I255 N260 L261	K228-V257 HydrophobicContact CD-CG2 4.44Å; K228-V257 HydrophobicContact CG-CG2 3.78Å; L231-V257 HydrophobicContact CB-CG1 4.14Å; L231-V257 HydrophobicContact CD1-CG1 3.52Å; L231-V257 HydrophobicContact CG-CG1 4.46Å; Y232-V257 HydrophobicContact CE2-CG2 4.19Å; S253-V257 VanDerWaalsContact O-CG2 3.27Å; S253-V257 WeakPolarHBondContact O-CG2 3.19Å; S253-V257 PolarHBondContact O-N 3.43Å; L254-V257 WeakPolarHBondContact O-CB 3.28Å; L254-V257 PolarHBondContact O-N 2.81Å; I255-V257 VanDerWaalsContact C-N 3.3Å; I255-V257 PolarHBondContact O-N 2.9Å; V257-N260 PolarHBondContact O-N 2.76Å; V257-L261 HydrophobicContact CG1-CD1 4.07Å; V257-L261 WeakPolarHBondContact O-CG 3.46Å; V257-L261 PolarHBondContact O-N 2.85Å
258	L	93.9	Very high	91.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-39.2	177.4	-65.6	174.7	0	0	0	111.7	L189 L248 L254 I255 E256 L261 Y262 L267 F299	L189-L258 HydrophobicContact CD2-CD1 3.82Å; L189-L258 HydrophobicContact CD2-CD2 4.09Å; L248-L258 HydrophobicContact CD1-CD1 3.88Å; L254-L258 HydrophobicContact CD1-CG 4.46Å; L254-L258 HydrophobicContact CG-CD1 4.41Å; L254-L258 WeakPolarHBondContact O-CG 3.33Å; L254-L258 PolarHBondContact O-N 2.81Å; I255-L258 HydrophobicContact CD1-CD1 4.34Å; I255-L258 CarbonylContact O-C 3.57Å; I255-L258 WeakPolarHBondContact O-CA 3.45Å; I255-L258 WeakPolarHBondContact O-CB 3.23Å; I255-L258 PolarHBondContact O-N 3.02Å; E256-L258 VanDerWaalsContact C-N 3.34Å; L258-L261 PolarHBondContact O-N 3.42Å; L258-Y262 VanDerWaalsContact O-CB 3.23Å; L258-Y262 WeakPolarHBondContact O-CB 3.47Å; L258-Y262 PolarHBondContact O-N 3.04Å; L258-L267 HydrophobicContact CB-CD2 4.39Å; L258-L267 HydrophobicContact CD2-CD1 3.92Å; L258-L267 HydrophobicContact CD2-CD2 4.27Å; L258-F299 HydrophobicContact CB-CE1 4.37Å; L258-F299 HydrophobicContact CB-CE2 4.24Å; L258-F299 HydrophobicContact CB-CZ 3.7Å; L258-F299 HydrophobicContact CD1-CE2 4.49Å
259	D	94.4	Very high	91.9	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-48	173.9	-65.7	-34.7	0	0	0	110.8	I255 E256 L261 Y262 E263 R298 F299	I255-D259 PolarHBondContact O-N 3.3Å; E256-D259 PolarHBondContact O-N 2.96Å; D259-L261 PolarHBondContact O-N 2.83Å; D259-Y262 WeakPolarHBondContact O-CB 3.34Å; D259-Y262 PolarHBondContact O-N 3.38Å; D259-Y262 VanDerWaalsContact O-N 3.13Å; D259-E263 WeakPolarHBondContact O-CG 3.45Å; D259-E263 PolarHBondContact O-N 3.23Å; D259-R298 IonicContact OD1-CZ 3.68Å; D259-R298 IonicContact OD1-NE 3.5Å; D259-R298 PolarHBondContact OD1-NE 2.86Å; D259-R298 IonicContact OD1-NH2 3.56Å; D259-R298 IonicContact OD2-CZ 3.42Å; D259-R298 IonicContact OD2-NE 2.66Å; D259-R298 PolarHBondContact OD2-NE 2.78Å; D259-R298 IonicContact OD2-NH2 2.87Å; D259-R298 PolarHBondContact OD2-NH2 2.86Å; D259-F299 VanDerWaalsContact OD1-CE1 3.24Å; D259-F299 WeakPolarHBondContact OD1-CE1 3.36Å; D259-F299 WeakPolarHBondContact OD1-CZ 3.45Å
260	N	93.6	Very high	92.4	Very high	33 Å²	33	46 Å²	46	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-45.2	177	-177.4	-97.4	0	0	0	112.4	Y232 E256 V257 Y262 R264	Y232-N260 HydrophobicContact CE1-CB 4.35Å; E256-N260 PolarHBondContact O-N 2.97Å; V257-N260 PolarHBondContact O-N 2.76Å; N260-Y262 VanDerWaalsContact C-N 3.29Å; N260-Y262 PolarHBondContact O-N 3Å; N260-R264 WeakPolarHBondContact O-CB 3.48Å; N260-R264 VanDerWaalsContact O-CD 3.28Å; N260-R264 WeakPolarHBondContact O-CD 3.38Å; N260-R264 VanDerWaalsContact O-CG 3.28Å; N260-R264 WeakPolarHBondContact O-CG 3.32Å; N260-R264 PolarHBondContact O-N 3.07Å; N260-R264 VanDerWaalsContact OD1-CD 3.26Å; N260-R264 WeakPolarHBondContact OD1-CD 3.43Å; N260-R264 PolarHBondContact OD1-NH1 2.79Å
261	L	94.3	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-36.8	177.3	-71.9	169	0	0	0	111.6	I187 L236 V257 L258 D259 R264 K265 L266 L267	I187-L261 HydrophobicContact CD1-CD1 3.9Å; I187-L261 HydrophobicContact CD1-CD2 4.18Å; L236-L261 HydrophobicContact CD1-CD2 4.25Å; V257-L261 HydrophobicContact CG1-CD1 4.07Å; V257-L261 WeakPolarHBondContact O-CG 3.46Å; V257-L261 PolarHBondContact O-N 2.85Å; L258-L261 PolarHBondContact O-N 3.42Å; D259-L261 PolarHBondContact O-N 2.83Å; L261-R264 PolarHBondContact O-N 3.22Å; L261-K265 PolarHBondContact O-N 2.88Å; L261-L266 HydrophobicContact CD2-CB 3.99Å; L261-L266 PolarHBondContact O-N 2.82Å; L261-L267 HydrophobicContact CB-CB 4.24Å; L261-L267 PolarHBondContact O-N 3.28Å
262	Y	96.2	Very high	93.5	Very high	62 Å²	62	41.4 Å²	41.4	24%	0.243	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-48.9	178.7	-179.3	-114.7	0	0	0	112	L258 D259 N260 R264 K265 F299 S301 V302	L258-Y262 VanDerWaalsContact O-CB 3.23Å; L258-Y262 WeakPolarHBondContact O-CB 3.47Å; L258-Y262 PolarHBondContact O-N 3.04Å; D259-Y262 WeakPolarHBondContact O-CB 3.34Å; D259-Y262 PolarHBondContact O-N 3.38Å; D259-Y262 VanDerWaalsContact O-N 3.13Å; N260-Y262 VanDerWaalsContact C-N 3.29Å; N260-Y262 PolarHBondContact O-N 3Å; Y262-R264 PolarHBondContact O-N 3.48Å; Y262-K265 PolarHBondContact O-N 3.34Å; Y262-F299 AromaticContact CD1-CD1 3.8Å; Y262-F299 HydrophobicContact CD1-CD1 3.8Å; Y262-F299 HydrophobicContact CD1-CE1 4.35Å; Y262-F299 HydrophobicContact CD2-CB 4.33Å; Y262-F299 AromaticContact CD2-CD1 3.91Å; Y262-F299 HydrophobicContact CD2-CD1 3.91Å; Y262-F299 HydrophobicContact CE1-CD1 4.34Å; Y262-F299 HydrophobicContact CE2-CB 4.28Å; Y262-F299 HydrophobicContact CE2-CD1 4.46Å; Y262-F299 AromaticContact CG-CD1 3.56Å; Y262-F299 HydrophobicContact CG-CD1 3.56Å; Y262-F299 HydrophobicContact CG-CE1 4.15Å; Y262-S301 WeakPolarHBondContact CE2-OG 3.28Å; Y262-S301 PolarHBondContact OH-OG 3.43Å; Y262-V302 HydrophobicContact CD2-CG2 3.48Å; Y262-V302 VanDerWaalsContact CD2-CG2 3.48Å; Y262-V302 HydrophobicContact CE2-CG2 3.55Å
263	E	95.1	Very high	93.9	Very high	152 Å²	152	36.8 Å²	36.8	71%	0.71	17%	0.173	S	C	*	.	H	α-helix	trans	-56.2	-36.8	175.6	-72.9	174.7	179.1	0	0	111.9	D259 K265	D259-E263 WeakPolarHBondContact O-CG 3.45Å; D259-E263 PolarHBondContact O-N 3.23Å; E263-K265 VanDerWaalsContact C-N 3.28Å; E263-K265 PolarHBondContact O-N 3.26Å
264	R	94.1	Very high	94.2	Very high	69 Å²	69	36.6 Å²	36.6	26%	0.26	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.4	178.9	-66.6	163.8	58	-155.2	-3.6	113.9	L231 Y232 Q233 N260 L261 Y262 L266	L231-R264 PolarHBondContact O-NH1 2.84Å; Y232-R264 PolarHBondContact O-NH1 3.33Å; Q233-R264 PolarHBondContact O-NH2 3.27Å; N260-R264 WeakPolarHBondContact O-CB 3.48Å; N260-R264 VanDerWaalsContact O-CD 3.28Å; N260-R264 WeakPolarHBondContact O-CD 3.38Å; N260-R264 VanDerWaalsContact O-CG 3.28Å; N260-R264 WeakPolarHBondContact O-CG 3.32Å; N260-R264 PolarHBondContact O-N 3.07Å; N260-R264 VanDerWaalsContact OD1-CD 3.26Å; N260-R264 WeakPolarHBondContact OD1-CD 3.43Å; N260-R264 PolarHBondContact OD1-NH1 2.79Å; L261-R264 PolarHBondContact O-N 3.22Å; Y262-R264 PolarHBondContact O-N 3.48Å; R264-L266 HydrophobicContact CB-CD1 4.09Å; R264-L266 HydrophobicContact CB-CG 4.19Å; R264-L266 PolarHBondContact O-N 3.41Å
265	K	94.3	Very high	94.5	Very high	191 Å²	191	36.3 Å²	36.3	83%	0.83	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	33.4	-174.2	-55.6	-177.6	179.9	180	0	113.3	L261 Y262 E263	L261-K265 PolarHBondContact O-N 2.88Å; Y262-K265 PolarHBondContact O-N 3.34Å; E263-K265 VanDerWaalsContact C-N 3.28Å; E263-K265 PolarHBondContact O-N 3.26Å
266	L	95.2	Very high	94.5	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.168	17%	0.165	C	C	.	.			trans	-106.7	5.3	177.4	-68.1	174.8	0	0	0	112.7	G186 I187 L236 L261 R264	G186-L266 CarbonylContact C-O 3.55Å; G186-L266 WeakPolarHBondContact CA-O 3.06Å; I187-L266 PolarHBondContact N-O 3.42Å; L236-L266 HydrophobicContact CD1-CB 4.04Å; L236-L266 HydrophobicContact CD1-CD1 3.96Å; L236-L266 HydrophobicContact CD1-CD2 4.31Å; L236-L266 HydrophobicContact CD1-CG 4.33Å; L261-L266 HydrophobicContact CD2-CB 3.99Å; L261-L266 PolarHBondContact O-N 2.82Å; R264-L266 HydrophobicContact CB-CD1 4.09Å; R264-L266 HydrophobicContact CB-CG 4.19Å; R264-L266 PolarHBondContact O-N 3.41Å
267	L	95.6	Very high	94.5	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	98.7	169.3	-165.6	55.2	0	0	0	109.2	L258 L261 F270 F299 V302	L258-L267 HydrophobicContact CB-CD2 4.39Å; L258-L267 HydrophobicContact CD2-CD1 3.92Å; L258-L267 HydrophobicContact CD2-CD2 4.27Å; L261-L267 HydrophobicContact CB-CB 4.24Å; L261-L267 PolarHBondContact O-N 3.28Å; L267-F270 HydrophobicContact CD1-CE1 4.43Å; L267-F270 HydrophobicContact CD2-CE1 4.01Å; L267-F270 HydrophobicContact CD2-CE2 4.22Å; L267-F270 HydrophobicContact CD2-CZ 3.47Å; L267-F270 VanDerWaalsContact CD2-CZ 3.47Å; L267-F270 HydrophobicContact CG-CE1 4.47Å; L267-F270 HydrophobicContact CG-CZ 4.2Å; L267-F299 HydrophobicContact CD2-CD1 4.44Å; L267-V302 HydrophobicContact CB-CG2 4.31Å; L267-V302 HydrophobicContact CD2-CG2 4.15Å; L267-V302 HydrophobicContact CG-CG1 4.31Å; L267-V302 HydrophobicContact CG-CG2 4.17Å
268	S	96	Very high	94.6	Very high	20 Å²	20	30.5 Å²	30.5	14%	0.14	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-40.3	-170.2	66	0	0	0	0	113.2	I187 T188	I187-S268 WeakPolarHBondContact O-CB 3.49Å; I187-S268 PolarHBondContact O-N 2.92Å; I187-S268 PolarHBondContact O-OG 2.94Å; T188-S268 PolarHBondContact N-OG 2.83Å; T188-S268 PolarHBondContact OG1-OG 2.77Å
269	R	97.5	Very high	94.3	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	147.8	-171	-172.7	162.1	-68.3	-90.4	4.4	112.7	T157 H161 T188 L189 V271 P303	T157-R269 VanDerWaalsContact CG2-CZ 3.44Å; T157-R269 VanDerWaalsContact CG2-NE 3.27Å; T157-R269 PolarHBondContact O-NH2 3.18Å; H161-R269 PolarHBondContact O-NH1 2.93Å; H161-R269 PolarHBondContact O-NH2 2.96Å; T188-R269 WeakPolarHBondContact CA-O 2.91Å; T188-R269 HydrophobicContact CG2-CB 4.29Å; L189-R269 PolarHBondContact N-O 2.81Å; R269-V271 HydrophobicContact CG-CG2 4.24Å; R269-P303 WeakPolarHBondContact CA-O 3.47Å; R269-P303 WeakPolarHBondContact CG-O 3.4Å
270	F	98	Very high	93.5	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.6	161.3	-65.4	-62.9	0	0	0	111	L189 L267 L295 F299 V302 P303 L304 M305	L189-F270 HydrophobicContact CB-CD1 3.9Å; L189-F270 HydrophobicContact CB-CE1 4.15Å; L189-F270 HydrophobicContact CD2-CD1 3.76Å; L189-F270 HydrophobicContact CD2-CE1 3.62Å; L189-F270 HydrophobicContact CG-CD1 4.35Å; L267-F270 HydrophobicContact CD1-CE1 4.43Å; L267-F270 HydrophobicContact CD2-CE1 4.01Å; L267-F270 HydrophobicContact CD2-CE2 4.22Å; L267-F270 HydrophobicContact CD2-CZ 3.47Å; L267-F270 VanDerWaalsContact CD2-CZ 3.47Å; L267-F270 HydrophobicContact CG-CE1 4.47Å; L267-F270 HydrophobicContact CG-CZ 4.2Å; F270-L295 HydrophobicContact CB-CD1 4.39Å; F270-L295 HydrophobicContact CD1-CD1 3.96Å; F270-L295 HydrophobicContact CD1-CD2 4.18Å; F270-L295 HydrophobicContact CD2-CB 4.28Å; F270-L295 HydrophobicContact CE1-CD1 4.41Å; F270-L295 HydrophobicContact CE1-CD2 3.77Å; F270-L295 HydrophobicContact CE2-CB 4.31Å; F270-L295 HydrophobicContact CE2-CD2 4.4Å; F270-L295 HydrophobicContact CG-CD1 4.07Å; F270-L295 HydrophobicContact CZ-CD2 3.88Å; F270-F299 HydrophobicContact CE2-CB 3.67Å; F270-F299 AromaticContact CE2-CD2 3.74Å; F270-F299 HydrophobicContact CE2-CD2 3.74Å; F270-F299 AromaticContact CE2-CG 3.97Å; F270-F299 HydrophobicContact CE2-CG 3.97Å; F270-F299 HydrophobicContact CZ-CB 4.11Å; F270-F299 AromaticContact CZ-CD2 3.4Å; F270-F299 HydrophobicContact CZ-CD2 3.4Å; F270-F299 VanDerWaalsContact CZ-CD2 3.4Å; F270-F299 AromaticContact CZ-CE2 4Å; F270-F299 HydrophobicContact CZ-CE2 4Å; F270-F299 AromaticContact CZ-CG 3.9Å; F270-F299 HydrophobicContact CZ-CG 3.9Å; F270-V302 HydrophobicContact CD2-CB 3.92Å; F270-V302 HydrophobicContact CD2-CG1 3.56Å; F270-V302 HydrophobicContact CE2-CB 3.7Å; F270-V302 HydrophobicContact CE2-CG1 3.65Å; F270-V302 HydrophobicContact CE2-CG2 4.13Å; F270-V302 HydrophobicContact CG-CG1 4.32Å; F270-V302 HydrophobicContact CZ-CG1 4.47Å; F270-P303 PolarHBondContact N-O 2.91Å; F270-L304 HydrophobicContact CB-CD1 3.87Å; F270-L304 HydrophobicContact CB-CG 4.41Å; F270-L304 CarbonylContact O-C 3.58Å; F270-L304 WeakPolarHBondContact O-CA 3.39Å; F270-M305 PolarHBondContact O-N 3.44Å
271	V	98.2	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.4	176.6	178.3	0	0	0	0	108.1	Y177 T188 L189 V190 V191 R269 M305 L307	Y177-V271 HydrophobicContact CD1-CG1 3.88Å; Y177-V271 HydrophobicContact CD2-CG2 4.42Å; Y177-V271 HydrophobicContact CE1-CG1 4.29Å; Y177-V271 HydrophobicContact CG-CG1 4Å; Y177-V271 HydrophobicContact CG-CG2 4.09Å; T188-V271 HydrophobicContact CG2-CG2 3.52Å; L189-V271 PolarHBondContact O-N 2.97Å; V190-V271 CarbonylContact C-O 3.56Å; V190-V271 WeakPolarHBondContact CA-O 3.37Å; V190-V271 HydrophobicContact CB-CB 4.29Å; V190-V271 HydrophobicContact CG1-CB 4.16Å; V190-V271 HydrophobicContact CG1-CG1 3.96Å; V190-V271 HydrophobicContact CG2-CB 4.04Å; V190-V271 HydrophobicContact CG2-CG1 4.45Å; V190-V271 HydrophobicContact CG2-CG2 4.36Å; V191-V271 PolarHBondContact N-O 2.77Å; R269-V271 HydrophobicContact CG-CG2 4.24Å; V271-M305 CarbonylContact C-O 3.54Å; V271-M305 WeakPolarHBondContact CA-O 3.48Å; V271-M305 HydrophobicContact CG2-CB 4.34Å; V271-L307 HydrophobicContact CG1-CD1 3.26Å
272	I	96.9	Very high	91.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	98.2	173.8	-51.3	-57	0	0	0	107	V191 A275 Y289 M292 L295 L304 M305 A306 L307 L323	V191-I272 HydrophobicContact CB-CD1 3.88Å; V191-I272 HydrophobicContact CG2-CD1 3.74Å; I272-A275 HydrophobicContact CG2-CB 4.15Å; I272-Y289 HydrophobicContact CG2-CD1 3.85Å; I272-Y289 HydrophobicContact CG2-CE1 3.6Å; I272-M292 HydrophobicContact CD1-CB 4.31Å; I272-M292 HydrophobicContact CD1-CG 4.24Å; I272-M292 HydrophobicContact CD1-SD 4.32Å; I272-L295 HydrophobicContact CD1-CD1 4.1Å; I272-L304 HydrophobicContact CG1-CD1 4.41Å; I272-L304 HydrophobicContact CG1-CD2 4.48Å; I272-M305 PolarHBondContact N-O 2.89Å; I272-A306 WeakPolarHBondContact O-CA 3.42Å; I272-L307 PolarHBondContact O-N 3.01Å; I272-L323 HydrophobicContact CG1-CD1 4.38Å; I272-L323 HydrophobicContact CG2-CD1 4.48Å
273	D	94.4	Very high	90.5	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.053	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	151.8	175.2	-161.3	12.9	0	0	0	110.4	V191 A275 Y289	V191-D273 WeakPolarHBondContact O-CB 3.5Å; V191-D273 PolarHBondContact O-N 3.02Å; D273-A275 VanDerWaalsContact C-N 3.27Å; D273-A275 PolarHBondContact O-N 3.39Å; D273-Y289 WeakPolarHBondContact O-CE1 3.28Å; D273-Y289 PolarHBondContact O-OH 2.98Å; D273-Y289 VanDerWaalsContact O-OH 3.1Å
274	E	91.3	Very high	89.9	Confident	18 Å²	18	25.4 Å²	25.4	8%	0.084	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	47.1	-172.2	-58.8	-64.9	-174.7	0	0	113.5	P193 H276 C277 L307	P193-E274 HydrophobicContact CG-CB 3.99Å; P193-E274 HydrophobicContact CG-CG 4.06Å; E274-H276 PolarHBondContact O-N 3.39Å; E274-H276 IonicContact OE2-CE1 3.46Å; E274-H276 PolarHBondContact OE2-CE1 2.82Å; E274-H276 IonicContact OE2-ND1 3.42Å; E274-H276 PolarHBondContact OE2-ND1 2.98Å; E274-C277 WeakPolarHBondContact O-CB 3.44Å; E274-C277 PolarHBondContact O-N 3Å; E274-C277 PolarHBondContact O-SG 3.41Å; E274-C277 VanDerWaalsContact O-SG 3.41Å; E274-L307 WeakPolarHBondContact CA-O 3.38Å; E274-L307 PolarHBondContact N-O 3.31Å; E274-L307 VanDerWaalsContact N-O 3.07Å
275	A	94.2	Very high	89.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-60.9	-8.8	-173.2	0	0	0	0	0	115.3	I272 D273 C277 V278 A306 L307 T319	I272-A275 HydrophobicContact CG2-CB 4.15Å; D273-A275 VanDerWaalsContact C-N 3.27Å; D273-A275 PolarHBondContact O-N 3.39Å; A275-C277 PolarHBondContact O-N 3.2Å; A275-V278 WeakPolarHBondContact O-CB 3.34Å; A275-V278 WeakPolarHBondContact O-CG2 3.42Å; A275-V278 PolarHBondContact O-N 3.2Å; A275-A306 HydrophobicContact CB-CB 3.76Å; A275-L307 PolarHBondContact N-O 2.99Å; A275-T319 HydrophobicContact CB-CG2 4Å; A275-T319 VanDerWaalsContact O-CG2 3.28Å; A275-T319 WeakPolarHBondContact O-CG2 3.49Å; A275-T319 PolarHBondContact O-OG1 3.34Å; A275-T319 VanDerWaalsContact O-OG1 3.11Å
276	H	90.4	Very high	88.9	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.009	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-65	-22.1	169.5	65.8	-95.3	0	0	0	112.5	E274 V278 S279 H283 T308 T310 I315	E274-H276 PolarHBondContact O-N 3.39Å; E274-H276 IonicContact OE2-CE1 3.46Å; E274-H276 PolarHBondContact OE2-CE1 2.82Å; E274-H276 IonicContact OE2-ND1 3.42Å; E274-H276 PolarHBondContact OE2-ND1 2.98Å; H276-V278 PolarHBondContact O-N 3.22Å; H276-S279 PolarHBondContact O-N 3.4Å; H276-H283 AromaticContact CD2-CE1 3.32Å; H276-H283 PolarHBondContact CD2-CE1 3.37Å; H276-H283 AromaticContact CD2-ND1 3.71Å; H276-H283 AromaticContact CE1-CE1 3.84Å; H276-H283 AromaticContact NE2-CE1 3.18Å; H276-H283 PolarHBondContact NE2-CE1 2.9Å; H276-H283 AromaticContact NE2-ND1 3.99Å; H276-H283 AromaticContact NE2-NE2 3.72Å; H276-T308 PolarHBondContact ND1-OG1 3.37Å; H276-T310 PolarHBondContact ND1-OG1 2.86Å; H276-I315 HydrophobicContact CB-CG2 4.02Å
277	C	91	Very high	88.4	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-64.7	-19.3	175.9	-66.8	0	0	0	0	113.6	E274 A275 D284 F285 R286 Y289	E274-C277 WeakPolarHBondContact O-CB 3.44Å; E274-C277 PolarHBondContact O-N 3Å; E274-C277 PolarHBondContact O-SG 3.41Å; E274-C277 VanDerWaalsContact O-SG 3.41Å; A275-C277 PolarHBondContact O-N 3.2Å; C277-D284 WeakPolarHBondContact CA-O 3.3Å; C277-D284 WeakPolarHBondContact CB-O 3.43Å; C277-D284 PolarHBondContact SG-O 2.72Å; C277-F285 WeakPolarHBondContact O-CD2 3.46Å; C277-R286 HydrophobicContact CB-CB 4.22Å; C277-R286 HydrophobicContact CB-CG 4.22Å; C277-R286 PolarHBondContact O-N 3.21Å; C277-Y289 HydrophobicContact CB-CD1 4.05Å; C277-Y289 HydrophobicContact CB-CD2 3.79Å; C277-Y289 HydrophobicContact CB-CE1 4.3Å; C277-Y289 HydrophobicContact CB-CE2 4.02Å; C277-Y289 HydrophobicContact CB-CG 3.79Å
278	V	91.5	Very high	88.1	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-66.1	-42.1	175	179.7	0	0	0	0	110.6	A275 H276 Y289 T319 Q322 L323	A275-V278 WeakPolarHBondContact O-CB 3.34Å; A275-V278 WeakPolarHBondContact O-CG2 3.42Å; A275-V278 PolarHBondContact O-N 3.2Å; H276-V278 PolarHBondContact O-N 3.22Å; V278-Y289 HydrophobicContact CG2-CD1 3.71Å; V278-Y289 HydrophobicContact CG2-CG 4.29Å; V278-T319 HydrophobicContact CB-CG2 4.16Å; V278-T319 HydrophobicContact CG2-CG2 4.24Å; V278-Q322 HydrophobicContact CG1-CB 3.49Å; V278-Q322 VanDerWaalsContact CG1-CB 3.49Å; V278-Q322 HydrophobicContact CG1-CG 4.23Å; V278-Q322 PolarHBondContact O-OE1 3.35Å; V278-Q322 VanDerWaalsContact O-OE1 3.05Å; V278-L323 HydrophobicContact CG1-CD2 4.42Å; V278-L323 HydrophobicContact CG1-CG 4.36Å; V278-L323 HydrophobicContact CG2-CD1 4.23Å; V278-L323 HydrophobicContact CG2-CD2 4.12Å; V278-L323 HydrophobicContact CG2-CG 4.27Å
279	S	87.2	Confident	87.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.			trans	-76.2	131.2	-175.7	-177.7	0	0	0	0	111.1	H276 W281 G282 F285 D318	H276-S279 PolarHBondContact O-N 3.4Å; S279-W281 PolarHBondContact O-N 3.25Å; S279-W281 WeakPolarHBondContact OG-CB 3.44Å; S279-W281 PolarHBondContact OG-N 2.99Å; S279-W281 VanDerWaalsContact OG-N 3.07Å; S279-G282 PolarHBondContact O-N 3.43Å; S279-F285 WeakPolarHBondContact O-CD2 3.47Å; S279-D318 VanDerWaalsContact CA-OD2 3.29Å; S279-D318 WeakPolarHBondContact CA-OD2 3.27Å; S279-D318 WeakPolarHBondContact CB-OD2 3.48Å; S279-D318 PolarHBondContact OG-OD2 3.21Å
280	Q	78.7	Confident	87.3	Confident	49 Å²	49	25.7 Å²	25.7	23%	0.229	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.3	168.5	-70.6	-178.8	-4.2	0	0	112.2	G282 F285	Q280-G282 VanDerWaalsContact C-N 3.3Å; Q280-F285 HydrophobicContact CB-CD2 4.31Å; Q280-F285 HydrophobicContact CB-CE2 4.48Å; Q280-F285 HydrophobicContact CB-CG 4.5Å; Q280-F285 HydrophobicContact CG-CD1 4.27Å; Q280-F285 HydrophobicContact CG-CD2 3.77Å; Q280-F285 HydrophobicContact CG-CE1 4.02Å; Q280-F285 HydrophobicContact CG-CE2 3.49Å; Q280-F285 VanDerWaalsContact CG-CE2 3.49Å; Q280-F285 HydrophobicContact CG-CG 4.15Å; Q280-F285 HydrophobicContact CG-CZ 3.63Å
281	W	74.1	Confident	86.9	Confident	37 Å²	37	31.3 Å²	31.3	14%	0.14	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-7.6	174.7	-48.9	99.7	0	0	0	112.8	S279 K314 I315 M495 L783	S279-W281 PolarHBondContact O-N 3.25Å; S279-W281 WeakPolarHBondContact OG-CB 3.44Å; S279-W281 PolarHBondContact OG-N 2.99Å; S279-W281 VanDerWaalsContact OG-N 3.07Å; W281-K314 VanDerWaalsContact CE3-NZ 3.34Å; W281-I315 HydrophobicContact CB-CG1 4.32Å; W281-M495 VanDerWaalsContact CA-SD 3.51Å; W281-M495 HydrophobicContact CB-SD 4.44Å; W281-M495 HydrophobicContact CE3-CG 4.15Å; W281-M495 HydrophobicContact CE3-SD 3.91Å; W281-M495 HydrophobicContact CZ3-CB 4.36Å; W281-M495 HydrophobicContact CZ3-CG 4.47Å; W281-L783 HydrophobicContact CH2-CB 3.95Å; W281-L783 HydrophobicContact CH2-CD1 3.51Å; W281-L783 HydrophobicContact CH2-CD2 3.85Å; W281-L783 HydrophobicContact CH2-CG 3.95Å; W281-L783 HydrophobicContact CZ2-CB 3.6Å; W281-L783 HydrophobicContact CZ2-CD1 3.61Å; W281-L783 HydrophobicContact CZ2-CD2 4.39Å; W281-L783 HydrophobicContact CZ2-CG 4.03Å; W281-L783 HydrophobicContact CZ3-CD1 4.16Å
282	G	75.1	Confident	86.6	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	-71.1	150.6	172.7	0	0	0	0	0	112.1	S279 Q280 D284	S279-G282 PolarHBondContact O-N 3.43Å; Q280-G282 VanDerWaalsContact C-N 3.3Å; G282-D284 PolarHBondContact O-N 3.14Å
283	H	72.7	Confident	86.3	Confident	40 Å²	40	32.7 Å²	32.7	19%	0.185	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.1	178.8	66.4	-65.6	0	0	0	113.6	H276 T310 S445 E447 Q451	H276-H283 AromaticContact CD2-CE1 3.32Å; H276-H283 PolarHBondContact CD2-CE1 3.37Å; H276-H283 AromaticContact CD2-ND1 3.71Å; H276-H283 AromaticContact CE1-CE1 3.84Å; H276-H283 AromaticContact NE2-CE1 3.18Å; H276-H283 PolarHBondContact NE2-CE1 2.9Å; H276-H283 AromaticContact NE2-ND1 3.99Å; H276-H283 AromaticContact NE2-NE2 3.72Å; H283-T310 PolarHBondContact CE1-OG1 2.95Å; H283-S445 WeakPolarHBondContact CB-OG 3.16Å; H283-E447 HydrophobicContact CB-CB 4.26Å; H283-Q451 PolarHBondContact NE2-OE1 3.32Å
284	D	80.9	Confident	86.2	Confident	47 Å²	47	35 Å²	35	25%	0.251	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	53	176.6	-164	42.4	0	0	0	111.8	C277 G282 R286 M427	C277-D284 WeakPolarHBondContact CA-O 3.3Å; C277-D284 WeakPolarHBondContact CB-O 3.43Å; C277-D284 PolarHBondContact SG-O 2.72Å; G282-D284 PolarHBondContact O-N 3.14Å; D284-R286 PolarHBondContact O-N 3.28Å; D284-R286 IonicContact OD1-NH2 3.93Å; D284-R286 IonicContact OD2-CZ 2.68Å; D284-R286 IonicContact OD2-NE 3.18Å; D284-R286 PolarHBondContact OD2-NE 2.91Å; D284-R286 IonicContact OD2-NH2 3.2Å; D284-R286 PolarHBondContact OD2-NH2 3.5Å; D284-M427 WeakPolarHBondContact OD2-CE 3.35Å
285	F	83.2	Confident	86.4	Confident	66 Å²	66	34.2 Å²	34.2	29%	0.289	16%	0.163	S	C	.	.			trans	-56.3	133.7	177.6	170.6	-112.7	0	0	0	112.4	C277 S279 Q280 P287	C277-F285 WeakPolarHBondContact O-CD2 3.46Å; S279-F285 WeakPolarHBondContact O-CD2 3.47Å; Q280-F285 HydrophobicContact CB-CD2 4.31Å; Q280-F285 HydrophobicContact CB-CE2 4.48Å; Q280-F285 HydrophobicContact CB-CG 4.5Å; Q280-F285 HydrophobicContact CG-CD1 4.27Å; Q280-F285 HydrophobicContact CG-CD2 3.77Å; Q280-F285 HydrophobicContact CG-CE1 4.02Å; Q280-F285 HydrophobicContact CG-CE2 3.49Å; Q280-F285 VanDerWaalsContact CG-CE2 3.49Å; Q280-F285 HydrophobicContact CG-CG 4.15Å; Q280-F285 HydrophobicContact CG-CZ 3.63Å; F285-P287 HydrophobicContact CE1-CG 3.87Å; F285-P287 HydrophobicContact CZ-CB 4.37Å; F285-P287 HydrophobicContact CZ-CG 4.2Å
286	R	85.1	Confident	86.4	Confident	53 Å²	53	36 Å²	36	20%	0.2	17%	0.17	C	C	.	.			trans	-127.2	118.5	175.6	-68.3	178.4	-173.1	-86.1	-18.1	110.1	C277 D284 D288 Y289	C277-R286 HydrophobicContact CB-CB 4.22Å; C277-R286 HydrophobicContact CB-CG 4.22Å; C277-R286 PolarHBondContact O-N 3.21Å; D284-R286 PolarHBondContact O-N 3.28Å; D284-R286 IonicContact OD1-NH2 3.93Å; D284-R286 IonicContact OD2-CZ 2.68Å; D284-R286 IonicContact OD2-NE 3.18Å; D284-R286 PolarHBondContact OD2-NE 2.91Å; D284-R286 IonicContact OD2-NH2 3.2Å; D284-R286 PolarHBondContact OD2-NH2 3.5Å; R286-D288 PolarHBondContact O-N 3.05Å; R286-D288 VanDerWaalsContact O-N 3.11Å; R286-Y289 HydrophobicContact CB-CD2 3.69Å; R286-Y289 HydrophobicContact CB-CE2 4.46Å; R286-Y289 HydrophobicContact CB-CG 4.47Å; R286-Y289 HydrophobicContact CG-CD2 4.41Å; R286-Y289 WeakPolarHBondContact O-CB 3.45Å; R286-Y289 PolarHBondContact O-N 3.39Å
287	P	84.5	Confident	86.5	Confident	83 Å²	83	42.6 Å²	42.6	54%	0.539	20%	0.2	S	C	.	.	H	α-helix	trans	-53.3	-35.7	-179.7	-28	34.5	0	0	0	114.2	F285 Y289 K290	F285-P287 HydrophobicContact CE1-CG 3.87Å; F285-P287 HydrophobicContact CZ-CB 4.37Å; F285-P287 HydrophobicContact CZ-CG 4.2Å; P287-Y289 VanDerWaalsContact C-N 3.29Å; P287-Y289 PolarHBondContact O-N 3.25Å; P287-K290 WeakPolarHBondContact O-CB 3.47Å; P287-K290 PolarHBondContact O-N 3.41Å
288	D	88.5	Confident	86.6	Confident	35 Å²	35	48.7 Å²	48.7	19%	0.187	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-26.9	-178.9	-58.7	-62.5	0	0	0	113.5	P245 E246 R286 K290 R291 M292	P245-D288 HydrophobicContact CB-CB 3.65Å; E246-D288 HydrophobicContact CG-CB 4.31Å; E246-D288 WeakPolarHBondContact CG-OD2 3.32Å; R286-D288 PolarHBondContact O-N 3.05Å; R286-D288 VanDerWaalsContact O-N 3.11Å; D288-K290 VanDerWaalsContact C-N 3.29Å; D288-K290 PolarHBondContact O-N 3.37Å; D288-R291 WeakPolarHBondContact O-CB 3.38Å; D288-R291 PolarHBondContact O-N 3.05Å; D288-R291 IonicContact OD1-CZ 2.67Å; D288-R291 IonicContact OD1-NE 3.92Å; D288-R291 IonicContact OD1-NH2 3.64Å; D288-R291 PolarHBondContact OD1-NH2 3.43Å; D288-M292 WeakPolarHBondContact O-CE 3.42Å
289	Y	91.5	Very high	86.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-31.9	173.5	-92.2	-99.9	0	0	0	112.2	S192 P193 P245 I272 D273 C277 V278 R286 P287 R291 M292	S192-Y289 WeakPolarHBondContact CA-OH 3.31Å; P193-Y289 HydrophobicContact CB-CE2 3.87Å; P193-Y289 WeakPolarHBondContact CD-OH 3.26Å; P245-Y289 HydrophobicContact CB-CD2 4.14Å; P245-Y289 HydrophobicContact CB-CE2 4.25Å; P245-Y289 HydrophobicContact CG-CD2 3.43Å; P245-Y289 VanDerWaalsContact CG-CD2 3.43Å; P245-Y289 HydrophobicContact CG-CE2 3.1Å; P245-Y289 HydrophobicContact CG-CG 4.32Å; I272-Y289 HydrophobicContact CG2-CD1 3.85Å; I272-Y289 HydrophobicContact CG2-CE1 3.6Å; D273-Y289 WeakPolarHBondContact O-CE1 3.28Å; D273-Y289 PolarHBondContact O-OH 2.98Å; D273-Y289 VanDerWaalsContact O-OH 3.1Å; C277-Y289 HydrophobicContact CB-CD1 4.05Å; C277-Y289 HydrophobicContact CB-CD2 3.79Å; C277-Y289 HydrophobicContact CB-CE1 4.3Å; C277-Y289 HydrophobicContact CB-CE2 4.02Å; C277-Y289 HydrophobicContact CB-CG 3.79Å; V278-Y289 HydrophobicContact CG2-CD1 3.71Å; V278-Y289 HydrophobicContact CG2-CG 4.29Å; R286-Y289 HydrophobicContact CB-CD2 3.69Å; R286-Y289 HydrophobicContact CB-CE2 4.46Å; R286-Y289 HydrophobicContact CB-CG 4.47Å; R286-Y289 HydrophobicContact CG-CD2 4.41Å; R286-Y289 WeakPolarHBondContact O-CB 3.45Å; R286-Y289 PolarHBondContact O-N 3.39Å; P287-Y289 VanDerWaalsContact C-N 3.29Å; P287-Y289 PolarHBondContact O-N 3.25Å; Y289-R291 PolarHBondContact O-N 2.92Å; Y289-M292 WeakPolarHBondContact O-CB 3.36Å; Y289-M292 WeakPolarHBondContact O-CG 3.46Å; Y289-M292 PolarHBondContact O-N 3.33Å
290	K	86	Confident	87.2	Confident	97 Å²	97	52.6 Å²	52.6	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-25.9	176.4	-171.3	165.2	-172.5	174.6	0	112.3	P287 D288 M292 S293	P287-K290 WeakPolarHBondContact O-CB 3.47Å; P287-K290 PolarHBondContact O-N 3.41Å; D288-K290 VanDerWaalsContact C-N 3.29Å; D288-K290 PolarHBondContact O-N 3.37Å; K290-M292 VanDerWaalsContact C-N 3.26Å; K290-M292 PolarHBondContact O-N 3.19Å; K290-S293 PolarHBondContact O-OG 3.08Å
291	R	89.7	Confident	88	Confident	118 Å²	118	54.4 Å²	54.4	45%	0.445	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.1	176.4	-60.3	-165.3	-80.1	165.5	-3.5	113.2	T249 D288 Y289 S293 M294	T249-R291 VanDerWaalsContact CB-CZ 3.45Å; T249-R291 HydrophobicContact CG2-CB 3.71Å; T249-R291 PolarHBondContact OG1-NH2 2.91Å; D288-R291 WeakPolarHBondContact O-CB 3.38Å; D288-R291 PolarHBondContact O-N 3.05Å; D288-R291 IonicContact OD1-CZ 2.67Å; D288-R291 IonicContact OD1-NE 3.92Å; D288-R291 IonicContact OD1-NH2 3.64Å; D288-R291 PolarHBondContact OD1-NH2 3.43Å; Y289-R291 PolarHBondContact O-N 2.92Å; R291-S293 PolarHBondContact O-N 2.97Å; R291-S293 VanDerWaalsContact O-N 3.15Å; R291-M294 VanDerWaalsContact O-CB 3.32Å; R291-M294 WeakPolarHBondContact O-CB 3.41Å; R291-M294 WeakPolarHBondContact O-CG 3.28Å; R291-M294 PolarHBondContact O-N 3.47Å; R291-M294 VanDerWaalsContact O-N 3.08Å
292	M	92.6	Very high	89.1	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.2	-179.6	-63.2	-62.7	97.4	0	0	113.8	V191 P245 L248 T249 I272 D288 Y289 K290 M294 L295 L323	V191-M292 HydrophobicContact CB-SD 4.49Å; V191-M292 HydrophobicContact CG1-SD 3.91Å; V191-M292 HydrophobicContact CG2-SD 4.05Å; P245-M292 HydrophobicContact CB-CE 4.19Å; L248-M292 HydrophobicContact CD2-CE 3.99Å; L248-M292 HydrophobicContact CD2-SD 3.76Å; L248-M292 HydrophobicContact CG-CE 4.48Å; T249-M292 HydrophobicContact CG2-CE 3.61Å; I272-M292 HydrophobicContact CD1-CB 4.31Å; I272-M292 HydrophobicContact CD1-CG 4.24Å; I272-M292 HydrophobicContact CD1-SD 4.32Å; D288-M292 WeakPolarHBondContact O-CE 3.42Å; Y289-M292 WeakPolarHBondContact O-CB 3.36Å; Y289-M292 WeakPolarHBondContact O-CG 3.46Å; Y289-M292 PolarHBondContact O-N 3.33Å; K290-M292 VanDerWaalsContact C-N 3.26Å; K290-M292 PolarHBondContact O-N 3.19Å; M292-M294 PolarHBondContact O-N 3.4Å; M292-M294 VanDerWaalsContact O-N 3.11Å; M292-L295 WeakPolarHBondContact O-CB 3.47Å; M292-L295 PolarHBondContact O-N 3.45Å; M292-L295 HydrophobicContact SD-CD1 4.29Å; M292-L323 HydrophobicContact CB-CD2 3.75Å
293	S	90	Very high	90.2	Very high	29 Å²	29	53.9 Å²	53.9	20%	0.203	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-26.9	168.7	58.8	0	0	0	0	113.1	K290 R291 L295 R296 Q297 Q322	K290-S293 PolarHBondContact O-OG 3.08Å; R291-S293 PolarHBondContact O-N 2.97Å; R291-S293 VanDerWaalsContact O-N 3.15Å; S293-L295 PolarHBondContact O-N 3.01Å; S293-R296 PolarHBondContact O-N 3.4Å; S293-Q297 PolarHBondContact O-N 2.9Å; S293-Q322 VanDerWaalsContact CB-O 3.3Å; S293-Q322 WeakPolarHBondContact CB-O 3.35Å
294	M	93.1	Very high	91.3	Very high	58 Å²	58	52.1 Å²	52.1	29%	0.286	26%	0.259	S	S	.	.	H	α-helix	trans	-57.3	-30.7	175	76.3	-168	-69.1	0	0	113.1	T249 I255 R291 M292 Q297 R298	T249-M294 HydrophobicContact CG2-SD 3.95Å; I255-M294 HydrophobicContact CD1-CE 4.49Å; R291-M294 VanDerWaalsContact O-CB 3.32Å; R291-M294 WeakPolarHBondContact O-CB 3.41Å; R291-M294 WeakPolarHBondContact O-CG 3.28Å; R291-M294 PolarHBondContact O-N 3.47Å; R291-M294 VanDerWaalsContact O-N 3.08Å; M292-M294 PolarHBondContact O-N 3.4Å; M292-M294 VanDerWaalsContact O-N 3.11Å; M294-Q297 PolarHBondContact O-N 2.76Å; M294-R298 WeakPolarHBondContact O-CB 3.3Å; M294-R298 PolarHBondContact O-N 3.01Å
295	L	94.4	Very high	92.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-44.8	-180	-68.6	176.2	0	0	0	111.1	L248 F270 I272 M292 S293 Q297 F299	L248-L295 HydrophobicContact CD2-CD1 4.07Å; L248-L295 HydrophobicContact CD2-CD2 4.11Å; L248-L295 HydrophobicContact CD2-CG 4.38Å; F270-L295 HydrophobicContact CB-CD1 4.39Å; F270-L295 HydrophobicContact CD1-CD1 3.96Å; F270-L295 HydrophobicContact CD1-CD2 4.18Å; F270-L295 HydrophobicContact CD2-CB 4.28Å; F270-L295 HydrophobicContact CE1-CD1 4.41Å; F270-L295 HydrophobicContact CE1-CD2 3.77Å; F270-L295 HydrophobicContact CE2-CB 4.31Å; F270-L295 HydrophobicContact CE2-CD2 4.4Å; F270-L295 HydrophobicContact CG-CD1 4.07Å; F270-L295 HydrophobicContact CZ-CD2 3.88Å; I272-L295 HydrophobicContact CD1-CD1 4.1Å; M292-L295 WeakPolarHBondContact O-CB 3.47Å; M292-L295 PolarHBondContact O-N 3.45Å; M292-L295 HydrophobicContact SD-CD1 4.29Å; S293-L295 PolarHBondContact O-N 3.01Å; L295-Q297 VanDerWaalsContact C-N 3.32Å; L295-Q297 PolarHBondContact O-N 2.82Å; L295-F299 HydrophobicContact CD2-CD2 4.22Å; L295-F299 HydrophobicContact CD2-CE2 4.25Å; L295-F299 WeakPolarHBondContact O-CA 3.4Å; L295-F299 WeakPolarHBondContact O-CB 3.36Å; L295-F299 PolarHBondContact O-N 3.35Å
296	R	93.9	Very high	92.8	Very high	39 Å²	39	46.7 Å²	46.7	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-35.7	176.9	176.6	57.9	70.9	-146.3	-3	111.7	D162 S293 P300 V302 L304 N324	D162-R296 IonicContact OD1-NH2 3.21Å; D162-R296 PolarHBondContact OD1-NH2 3.23Å; D162-R296 IonicContact OD2-CZ 2.7Å; D162-R296 IonicContact OD2-NH2 2.69Å; D162-R296 PolarHBondContact OD2-NH2 3.44Å; S293-R296 PolarHBondContact O-N 3.4Å; R296-P300 PolarHBondContact NH1-O 3.43Å; R296-P300 WeakPolarHBondContact O-CA 3.31Å; R296-V302 PolarHBondContact NH1-O 2.73Å; R296-L304 VanDerWaalsContact NH2-CB 3.32Å; R296-N324 HydrophobicContact CG-CB 3.99Å
297	Q	92.3	Very high	93.4	Very high	139 Å²	139	44.2 Å²	44.2	65%	0.65	22%	0.224	S	C	*	.	H	α-helix	trans	-68.2	-44.4	178.7	-67.4	173.1	6.5	0	0	112.1	S293 M294 L295	S293-Q297 PolarHBondContact O-N 2.9Å; M294-Q297 PolarHBondContact O-N 2.76Å; L295-Q297 VanDerWaalsContact C-N 3.32Å; L295-Q297 PolarHBondContact O-N 2.82Å
298	R	94.3	Very high	93.8	Very high	129 Å²	129	40.2 Å²	40.2	49%	0.487	20%	0.198	S	C	.	.	H	α-helix	trans	-81.7	-32.5	-177.3	-166	173.6	-172.9	121.9	-1.5	113.3	I255 D259 M294 P300	I255-R298 VanDerWaalsContact CG2-NE 3.34Å; D259-R298 IonicContact OD1-CZ 3.68Å; D259-R298 IonicContact OD1-NE 3.5Å; D259-R298 PolarHBondContact OD1-NE 2.86Å; D259-R298 IonicContact OD1-NH2 3.56Å; D259-R298 IonicContact OD2-CZ 3.42Å; D259-R298 IonicContact OD2-NE 2.66Å; D259-R298 PolarHBondContact OD2-NE 2.78Å; D259-R298 IonicContact OD2-NH2 2.87Å; D259-R298 PolarHBondContact OD2-NH2 2.86Å; M294-R298 WeakPolarHBondContact O-CB 3.3Å; M294-R298 PolarHBondContact O-N 3.01Å; R298-P300 VanDerWaalsContact C-CD 3.47Å; R298-P300 WeakPolarHBondContact O-CD 3.34Å
299	F	96.2	Very high	93.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.189	C	C	.	.			trans	-127	64	-173	-52.6	-66.7	0	0	0	111.6	L258 D259 Y262 L267 F270 L295 S301 V302	L258-F299 HydrophobicContact CB-CE1 4.37Å; L258-F299 HydrophobicContact CB-CE2 4.24Å; L258-F299 HydrophobicContact CB-CZ 3.7Å; L258-F299 HydrophobicContact CD1-CE2 4.49Å; D259-F299 VanDerWaalsContact OD1-CE1 3.24Å; D259-F299 WeakPolarHBondContact OD1-CE1 3.36Å; D259-F299 WeakPolarHBondContact OD1-CZ 3.45Å; Y262-F299 AromaticContact CD1-CD1 3.8Å; Y262-F299 HydrophobicContact CD1-CD1 3.8Å; Y262-F299 HydrophobicContact CD1-CE1 4.35Å; Y262-F299 HydrophobicContact CD2-CB 4.33Å; Y262-F299 AromaticContact CD2-CD1 3.91Å; Y262-F299 HydrophobicContact CD2-CD1 3.91Å; Y262-F299 HydrophobicContact CE1-CD1 4.34Å; Y262-F299 HydrophobicContact CE2-CB 4.28Å; Y262-F299 HydrophobicContact CE2-CD1 4.46Å; Y262-F299 AromaticContact CG-CD1 3.56Å; Y262-F299 HydrophobicContact CG-CD1 3.56Å; Y262-F299 HydrophobicContact CG-CE1 4.15Å; L267-F299 HydrophobicContact CD2-CD1 4.44Å; F270-F299 HydrophobicContact CE2-CB 3.67Å; F270-F299 AromaticContact CE2-CD2 3.74Å; F270-F299 HydrophobicContact CE2-CD2 3.74Å; F270-F299 AromaticContact CE2-CG 3.97Å; F270-F299 HydrophobicContact CE2-CG 3.97Å; F270-F299 HydrophobicContact CZ-CB 4.11Å; F270-F299 AromaticContact CZ-CD2 3.4Å; F270-F299 HydrophobicContact CZ-CD2 3.4Å; F270-F299 VanDerWaalsContact CZ-CD2 3.4Å; F270-F299 AromaticContact CZ-CE2 4Å; F270-F299 HydrophobicContact CZ-CE2 4Å; F270-F299 AromaticContact CZ-CG 3.9Å; F270-F299 HydrophobicContact CZ-CG 3.9Å; L295-F299 HydrophobicContact CD2-CD2 4.22Å; L295-F299 HydrophobicContact CD2-CE2 4.25Å; L295-F299 WeakPolarHBondContact O-CA 3.4Å; L295-F299 WeakPolarHBondContact O-CB 3.36Å; L295-F299 PolarHBondContact O-N 3.35Å; F299-S301 VanDerWaalsContact C-N 3.29Å; F299-S301 PolarHBondContact O-N 2.71Å; F299-V302 HydrophobicContact CB-CB 4.32Å; F299-V302 HydrophobicContact CB-CG2 3.91Å; F299-V302 PolarHBondContact O-N 3.46Å; F299-V302 VanDerWaalsContact O-N 3.15Å
300	P	94.7	Very high	93.5	Very high	80 Å²	80	38.6 Å²	38.6	52%	0.519	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.1	-167.6	24.3	-34.9	0	0	0	113.9	R296 R298	R296-P300 PolarHBondContact NH1-O 3.43Å; R296-P300 WeakPolarHBondContact O-CA 3.31Å; R298-P300 VanDerWaalsContact C-CD 3.47Å; R298-P300 WeakPolarHBondContact O-CD 3.34Å
301	S	95.1	Very high	93.5	Very high	88 Å²	88	34 Å²	34	62%	0.615	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-7	-179.2	63.5	0	0	0	0	114.8	Y262 F299 P303	Y262-S301 WeakPolarHBondContact CE2-OG 3.28Å; Y262-S301 PolarHBondContact OH-OG 3.43Å; F299-S301 VanDerWaalsContact C-N 3.29Å; F299-S301 PolarHBondContact O-N 2.71Å; S301-P303 WeakPolarHBondContact O-CD 3.42Å
302	V	97	Very high	93.4	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.03	15%	0.153	C	C	.	.	S	Bend	trans	-81.6	125.8	177.3	-176.8	0	0	0	0	109.3	Y262 L267 F270 R296 F299	Y262-V302 HydrophobicContact CD2-CG2 3.48Å; Y262-V302 VanDerWaalsContact CD2-CG2 3.48Å; Y262-V302 HydrophobicContact CE2-CG2 3.55Å; L267-V302 HydrophobicContact CB-CG2 4.31Å; L267-V302 HydrophobicContact CD2-CG2 4.15Å; L267-V302 HydrophobicContact CG-CG1 4.31Å; L267-V302 HydrophobicContact CG-CG2 4.17Å; F270-V302 HydrophobicContact CD2-CB 3.92Å; F270-V302 HydrophobicContact CD2-CG1 3.56Å; F270-V302 HydrophobicContact CE2-CB 3.7Å; F270-V302 HydrophobicContact CE2-CG1 3.65Å; F270-V302 HydrophobicContact CE2-CG2 4.13Å; F270-V302 HydrophobicContact CG-CG1 4.32Å; F270-V302 HydrophobicContact CZ-CG1 4.47Å; R296-V302 PolarHBondContact NH1-O 2.73Å; F299-V302 HydrophobicContact CB-CB 4.32Å; F299-V302 HydrophobicContact CB-CG2 3.91Å; F299-V302 PolarHBondContact O-N 3.46Å; F299-V302 VanDerWaalsContact O-N 3.15Å
303	P	97.5	Very high	93.1	Very high	22 Å²	22	29.9 Å²	29.9	14%	0.143	16%	0.158	C	C	.	.			trans	-62.4	144.4	175.6	-25.7	36.7	0	0	0	112.5	G160 D162 R269 F270 S301	G160-P303 WeakPolarHBondContact O-CG 3.47Å; D162-P303 WeakPolarHBondContact OD1-CA 3.49Å; R269-P303 WeakPolarHBondContact CA-O 3.47Å; R269-P303 WeakPolarHBondContact CG-O 3.4Å; F270-P303 PolarHBondContact N-O 2.91Å; S301-P303 WeakPolarHBondContact O-CD 3.42Å
304	L	97.5	Very high	92.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.3	178.9	-164.9	114.8	0	0	0	110.4	D162 C163 F270 I272 R296 L323 M325	D162-L304 CarbonylContact C-O 3.55Å; D162-L304 WeakPolarHBondContact CA-O 3.48Å; D162-L304 PolarHBondContact OD1-N 3.16Å; C163-L304 PolarHBondContact N-O 3.23Å; F270-L304 HydrophobicContact CB-CD1 3.87Å; F270-L304 HydrophobicContact CB-CG 4.41Å; F270-L304 CarbonylContact O-C 3.58Å; F270-L304 WeakPolarHBondContact O-CA 3.39Å; I272-L304 HydrophobicContact CG1-CD1 4.41Å; I272-L304 HydrophobicContact CG1-CD2 4.48Å; R296-L304 VanDerWaalsContact NH2-CB 3.32Å; L304-L323 HydrophobicContact CD2-CB 4.16Å; L304-L323 HydrophobicContact CD2-CD1 4.15Å; L304-M325 HydrophobicContact CD2-CB 4.46Å; L304-M325 HydrophobicContact CD2-CE 4.45Å; L304-M325 HydrophobicContact CD2-SD 3.73Å
305	M	98.1	Very high	92.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.8	173.6	-179.7	-177.9	-72.2	0	0	109.7	T157 C163 I165 F270 V271 I272 L307	T157-M305 HydrophobicContact CG2-CE 3.46Å; T157-M305 VanDerWaalsContact CG2-CE 3.46Å; T157-M305 WeakPolarHBondContact OG1-CE 3.43Å; C163-M305 HydrophobicContact CB-CE 4.19Å; C163-M305 HydrophobicContact CB-CG 4.22Å; C163-M305 CarbonylContact O-C 3.4Å; C163-M305 VanDerWaalsContact O-CA 3.23Å; C163-M305 WeakPolarHBondContact O-CA 3.42Å; I165-M305 HydrophobicContact CD1-CE 3.83Å; I165-M305 HydrophobicContact CD1-CG 4.08Å; I165-M305 HydrophobicContact CD1-SD 3.59Å; I165-M305 VanDerWaalsContact CD1-SD 3.59Å; I165-M305 HydrophobicContact CG1-CG 4.47Å; F270-M305 PolarHBondContact O-N 3.44Å; V271-M305 CarbonylContact C-O 3.54Å; V271-M305 WeakPolarHBondContact CA-O 3.48Å; V271-M305 HydrophobicContact CG2-CB 4.34Å; I272-M305 PolarHBondContact N-O 2.89Å; M305-L307 HydrophobicContact CG-CD1 3.75Å; M305-L307 HydrophobicContact CG-CG 4.08Å; M305-L307 HydrophobicContact SD-CD1 3.79Å; M305-L307 HydrophobicContact SD-CD2 4.12Å; M305-L307 HydrophobicContact SD-CG 4.1Å
306	A	97.4	Very high	92.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.1	171.5	0	0	0	0	0	109.4	C163 F164 I165 I272 A275 L323 M325	C163-A306 PolarHBondContact O-N 2.94Å; F164-A306 CarbonylContact C-O 3.43Å; F164-A306 WeakPolarHBondContact CA-O 3.43Å; F164-A306 HydrophobicContact CD2-CB 3.83Å; F164-A306 HydrophobicContact CE2-CB 4.08Å; F164-A306 HydrophobicContact CG-CB 4.4Å; I165-A306 PolarHBondContact N-O 3.42Å; I272-A306 WeakPolarHBondContact O-CA 3.42Å; A275-A306 HydrophobicContact CB-CB 3.76Å; A306-L323 HydrophobicContact CB-CD1 4.17Å; A306-M325 HydrophobicContact CB-CE 3.95Å; A306-M325 HydrophobicContact CB-SD 3.8Å
307	L	96.2	Very high	92.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138	177.4	-55.4	99.5	0	0	0	110.9	I165 K173 Y177 V271 I272 E274 A275 M305	I165-L307 HydrophobicContact CB-CD2 4.16Å; I165-L307 HydrophobicContact CB-CG 4.1Å; I165-L307 HydrophobicContact CD1-CD2 3.99Å; I165-L307 HydrophobicContact CD1-CG 4.37Å; I165-L307 HydrophobicContact CG2-CD2 4.27Å; I165-L307 WeakPolarHBondContact O-CA 3.33Å; K173-L307 HydrophobicContact CB-CD2 3.9Å; K173-L307 HydrophobicContact CD-CB 4.32Å; K173-L307 WeakPolarHBondContact O-CD2 3.45Å; Y177-L307 HydrophobicContact CD1-CD1 4.03Å; Y177-L307 HydrophobicContact CD1-CD2 4.02Å; Y177-L307 HydrophobicContact CE1-CD2 4.49Å; V271-L307 HydrophobicContact CG1-CD1 3.26Å; I272-L307 PolarHBondContact O-N 3.01Å; E274-L307 WeakPolarHBondContact CA-O 3.38Å; E274-L307 PolarHBondContact N-O 3.31Å; E274-L307 VanDerWaalsContact N-O 3.07Å; A275-L307 PolarHBondContact N-O 2.99Å; M305-L307 HydrophobicContact CG-CD1 3.75Å; M305-L307 HydrophobicContact CG-CG 4.08Å; M305-L307 HydrophobicContact SD-CD1 3.79Å; M305-L307 HydrophobicContact SD-CD2 4.12Å; M305-L307 HydrophobicContact SD-CG 4.1Å
308	T	93.2	Very high	92.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.9	174.4	-175.4	0	0	0	0	112	F164 I165 L166 M167 H276 T310 A311	F164-T308 HydrophobicContact CE1-CG2 3.78Å; F164-T308 HydrophobicContact CZ-CG2 3.99Å; I165-T308 PolarHBondContact O-N 3.2Å; L166-T308 WeakPolarHBondContact CA-O 3.14Å; L166-T308 HydrophobicContact CD1-CG2 3.7Å; M167-T308 PolarHBondContact N-O 3.35Å; M167-T308 VanDerWaalsContact N-O 3.09Å; H276-T308 PolarHBondContact ND1-OG1 3.37Å; T308-T310 PolarHBondContact OG1-N 3.06Å; T308-A311 HydrophobicContact CG2-CB 3.47Å; T308-A311 VanDerWaalsContact CG2-CB 3.47Å
309	A	88.8	Confident	92	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-102.4	-15.1	178	0	0	0	0	0	114.5	M167 F335	M167-A309 VanDerWaalsContact O-CA 3.23Å; M167-A309 WeakPolarHBondContact O-CA 3.43Å; A309-F335 WeakPolarHBondContact O-CE1 3.19Å
310	T	85	Confident	91.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-141.1	19.8	-157.7	42.6	0	0	0	0	112.6	H276 H283 T308 T312 Y450 Q451	H276-T310 PolarHBondContact ND1-OG1 2.86Å; H283-T310 PolarHBondContact CE1-OG1 2.95Å; T308-T310 PolarHBondContact OG1-N 3.06Å; T310-T312 PolarHBondContact O-N 3.47Å; T310-Y450 HydrophobicContact CG2-CD1 4.2Å; T310-Q451 HydrophobicContact CG2-CB 3.9Å; T310-Q451 HydrophobicContact CG2-CG 4.18Å
311	A	85.9	Confident	91.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.			trans	-80.5	121.9	174.9	0	0	0	0	0	110.6	L166 T308 I315 V316	L166-A311 HydrophobicContact CD1-CB 4Å; T308-A311 HydrophobicContact CG2-CB 3.47Å; T308-A311 VanDerWaalsContact CG2-CB 3.47Å; A311-I315 HydrophobicContact CB-CB 3.99Å; A311-I315 HydrophobicContact CB-CG2 3.62Å; A311-V316 HydrophobicContact CB-CG2 3.73Å
312	T	88.2	Confident	91.4	Very high	18 Å²	18	12.3 Å²	12.3	11%	0.11	7%	0.065	C	C	.	.			trans	-69.4	163.3	164	62.3	0	0	0	0	110	T310 K314 I315 V316 E447 F522	T310-T312 PolarHBondContact O-N 3.47Å; T312-K314 PolarHBondContact O-N 3.37Å; T312-K314 VanDerWaalsContact O-N 3.13Å; T312-I315 HydrophobicContact CG2-CD1 4.39Å; T312-I315 WeakPolarHBondContact O-CA 3.39Å; T312-I315 WeakPolarHBondContact O-CB 3.03Å; T312-I315 PolarHBondContact O-N 3.45Å; T312-I315 WeakPolarHBondContact OG1-CD1 3.49Å; T312-I315 WeakPolarHBondContact OG1-CG1 3.46Å; T312-V316 PolarHBondContact O-N 3.36Å; T312-E447 HydrophobicContact CG2-CG 4.29Å; T312-E447 WeakPolarHBondContact CG2-OE1 3.15Å; T312-F522 HydrophobicContact CG2-CD1 4.41Å
313	P	86.9	Confident	91.2	Very high	15 Å²	15	12.1 Å²	12.1	10%	0.097	6%	0.064	C	C	.	.	H	α-helix	trans	-51.5	-39.8	178.2	-28.5	34.1	0	0	0	113.7	F114 L115 I315 V316 V317 M776	F114-P313 HydrophobicContact CB-CB 4.07Å; L115-P313 HydrophobicContact CD1-CB 4.22Å; L115-P313 HydrophobicContact CD1-CG 3.92Å; L115-P313 HydrophobicContact CD2-CB 4.38Å; L115-P313 HydrophobicContact CG-CB 4.17Å; L115-P313 HydrophobicContact CG-CG 4.32Å; P313-I315 PolarHBondContact O-N 3.01Å; P313-V316 PolarHBondContact O-N 3.27Å; P313-V317 WeakPolarHBondContact O-CG2 3.45Å; P313-V317 PolarHBondContact O-N 2.93Å; P313-M776 HydrophobicContact CB-CE 4.34Å
314	K	85.5	Confident	91	Very high	55 Å²	55	15.2 Å²	15.2	24%	0.239	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-44.9	175.3	-172.3	-177.4	176	-176.4	0	112.2	W281 T312 V317 D318 M776 L780	W281-K314 VanDerWaalsContact CE3-NZ 3.34Å; T312-K314 PolarHBondContact O-N 3.37Å; T312-K314 VanDerWaalsContact O-N 3.13Å; K314-V317 PolarHBondContact O-N 3.09Å; K314-D318 WeakPolarHBondContact O-CB 3.41Å; K314-D318 PolarHBondContact O-N 3.3Å; K314-D318 VanDerWaalsContact O-N 3.07Å; K314-M776 HydrophobicContact CB-CG 4.38Å; K314-M776 HydrophobicContact CB-SD 3.67Å; K314-M776 HydrophobicContact CG-CG 4.31Å; K314-M776 HydrophobicContact CG-SD 4.25Å; K314-L780 HydrophobicContact CD-CD2 4.31Å; K314-L780 HydrophobicContact CG-CD1 3.96Å; K314-L780 HydrophobicContact CG-CD2 3.98Å; K314-L780 HydrophobicContact CG-CG 4.09Å
315	I	88.6	Confident	90.8	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-66.9	-38.8	179.3	-67	167	0	0	0	110.4	H276 W281 A311 T312 P313 V317 D318 T319	H276-I315 HydrophobicContact CB-CG2 4.02Å; W281-I315 HydrophobicContact CB-CG1 4.32Å; A311-I315 HydrophobicContact CB-CB 3.99Å; A311-I315 HydrophobicContact CB-CG2 3.62Å; T312-I315 HydrophobicContact CG2-CD1 4.39Å; T312-I315 WeakPolarHBondContact O-CA 3.39Å; T312-I315 WeakPolarHBondContact O-CB 3.03Å; T312-I315 PolarHBondContact O-N 3.45Å; T312-I315 WeakPolarHBondContact OG1-CD1 3.49Å; T312-I315 WeakPolarHBondContact OG1-CG1 3.46Å; P313-I315 PolarHBondContact O-N 3.01Å; I315-V317 PolarHBondContact O-N 2.68Å; I315-D318 PolarHBondContact O-N 3.13Å; I315-T319 VanDerWaalsContact O-CB 3.31Å; I315-T319 WeakPolarHBondContact O-CB 3.49Å; I315-T319 PolarHBondContact O-N 3.29Å; I315-T319 PolarHBondContact O-OG1 2.99Å; I315-T319 VanDerWaalsContact O-OG1 3.09Å
316	V	90.7	Very high	90.2	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-59.6	-49.1	177.2	176.4	0	0	0	0	110.9	L115 F164 L166 A311 T312 P313 T319 K320 L330	L115-V316 HydrophobicContact CD2-CB 3.85Å; L115-V316 HydrophobicContact CD2-CG1 3.81Å; L115-V316 HydrophobicContact CD2-CG2 4.01Å; F164-V316 HydrophobicContact CD1-CG1 4.28Å; F164-V316 HydrophobicContact CE1-CB 4.45Å; F164-V316 HydrophobicContact CE1-CG1 4.02Å; F164-V316 HydrophobicContact CE1-CG2 3.96Å; F164-V316 HydrophobicContact CE2-CG1 4.31Å; F164-V316 HydrophobicContact CZ-CB 4.29Å; F164-V316 HydrophobicContact CZ-CG1 4.03Å; F164-V316 HydrophobicContact CZ-CG2 4.12Å; L166-V316 HydrophobicContact CD2-CG2 4.04Å; A311-V316 HydrophobicContact CB-CG2 3.73Å; T312-V316 PolarHBondContact O-N 3.36Å; P313-V316 PolarHBondContact O-N 3.27Å; V316-T319 PolarHBondContact O-N 3.49Å; V316-K320 WeakPolarHBondContact O-CB 3.44Å; V316-K320 WeakPolarHBondContact O-CG 3.31Å; V316-K320 PolarHBondContact O-N 3.34Å; V316-L330 HydrophobicContact CG1-CD1 4.37Å
317	V	88.7	Confident	89.8	Confident	23 Å²	23	25.5 Å²	25.5	14%	0.139	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-48.1	179.1	175.1	0	0	0	0	110.9	P313 K314 I315 K320 N321 K777 L780	P313-V317 WeakPolarHBondContact O-CG2 3.45Å; P313-V317 PolarHBondContact O-N 2.93Å; K314-V317 PolarHBondContact O-N 3.09Å; I315-V317 PolarHBondContact O-N 2.68Å; V317-K320 PolarHBondContact O-N 2.98Å; V317-N321 PolarHBondContact O-N 3.41Å; V317-N321 PolarHBondContact O-OD1 3.39Å; V317-K777 HydrophobicContact CG1-CG 4.47Å; V317-L780 HydrophobicContact CG1-CD1 4.24Å
318	D	87.9	Confident	89.7	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.011	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-45.7	179.3	-178.1	37.8	0	0	0	112.3	S279 K314 I315 K320 N321 Q322 L780	S279-D318 VanDerWaalsContact CA-OD2 3.29Å; S279-D318 WeakPolarHBondContact CA-OD2 3.27Å; S279-D318 WeakPolarHBondContact CB-OD2 3.48Å; S279-D318 PolarHBondContact OG-OD2 3.21Å; K314-D318 WeakPolarHBondContact O-CB 3.41Å; K314-D318 PolarHBondContact O-N 3.3Å; K314-D318 VanDerWaalsContact O-N 3.07Å; I315-D318 PolarHBondContact O-N 3.13Å; D318-K320 VanDerWaalsContact C-N 3.34Å; D318-K320 PolarHBondContact O-N 2.95Å; D318-N321 WeakPolarHBondContact O-CB 3.44Å; D318-N321 PolarHBondContact O-N 2.98Å; D318-N321 VanDerWaalsContact O-N 3.17Å; D318-Q322 VanDerWaalsContact CG-NE2 3.31Å; D318-Q322 WeakPolarHBondContact O-CG 3.49Å; D318-Q322 PolarHBondContact O-N 3.44Å; D318-Q322 PolarHBondContact OD1-NE2 2.98Å; D318-Q322 PolarHBondContact OD2-NE2 3.4Å; D318-L780 HydrophobicContact CB-CD2 4.35Å
319	T	92.2	Very high	89.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-41.7	176.4	-65.7	0	0	0	0	111.4	F164 A275 V278 I315 V316 N321 Q322 L323	F164-T319 HydrophobicContact CE2-CG2 3.72Å; F164-T319 HydrophobicContact CZ-CG2 4.33Å; A275-T319 HydrophobicContact CB-CG2 4Å; A275-T319 VanDerWaalsContact O-CG2 3.28Å; A275-T319 WeakPolarHBondContact O-CG2 3.49Å; A275-T319 PolarHBondContact O-OG1 3.34Å; A275-T319 VanDerWaalsContact O-OG1 3.11Å; V278-T319 HydrophobicContact CB-CG2 4.16Å; V278-T319 HydrophobicContact CG2-CG2 4.24Å; I315-T319 VanDerWaalsContact O-CB 3.31Å; I315-T319 WeakPolarHBondContact O-CB 3.49Å; I315-T319 PolarHBondContact O-N 3.29Å; I315-T319 PolarHBondContact O-OG1 2.99Å; I315-T319 VanDerWaalsContact O-OG1 3.09Å; V316-T319 PolarHBondContact O-N 3.49Å; T319-N321 VanDerWaalsContact C-N 3.32Å; T319-N321 PolarHBondContact O-N 3.18Å; T319-Q322 PolarHBondContact O-N 3.33Å; T319-L323 HydrophobicContact CG2-CD1 3.75Å; T319-L323 HydrophobicContact CG2-CG 4.33Å; T319-L323 WeakPolarHBondContact O-CB 3.49Å; T319-L323 WeakPolarHBondContact O-CG 3.4Å; T319-L323 PolarHBondContact O-N 3.48Å
320	K	92.6	Very high	90.1	Very high	25 Å²	25	28.6 Å²	28.6	11%	0.109	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-40.5	175.3	-75.9	-166.8	177.5	-159.5	0	111.9	F164 V316 V317 D318 N324 M325 Q326 S328	F164-K320 HydrophobicContact CD2-CG 3.75Å; F164-K320 HydrophobicContact CE2-CG 4.15Å; V316-K320 WeakPolarHBondContact O-CB 3.44Å; V316-K320 WeakPolarHBondContact O-CG 3.31Å; V316-K320 PolarHBondContact O-N 3.34Å; V317-K320 PolarHBondContact O-N 2.98Å; D318-K320 VanDerWaalsContact C-N 3.34Å; D318-K320 PolarHBondContact O-N 2.95Å; K320-N324 PolarHBondContact O-N 2.84Å; K320-M325 HydrophobicContact CB-CG 4.12Å; K320-M325 HydrophobicContact CG-CG 4.06Å; K320-M325 PolarHBondContact O-N 3.22Å; K320-Q326 PolarHBondContact O-NE2 3.23Å; K320-Q326 VanDerWaalsContact O-NE2 3.09Å; K320-S328 WeakPolarHBondContact CE-OG 3.46Å; K320-S328 PolarHBondContact NZ-O 2.8Å; K320-S328 PolarHBondContact NZ-OG 3.11Å; K320-S328 VanDerWaalsContact NZ-OG 3.14Å
321	N	90	Very high	90.6	Very high	61 Å²	61	28.6 Å²	28.6	33%	0.326	15%	0.153	S	C	.	.	H	α-helix	trans	-61.1	-53.8	175.3	-69.3	-8.6	0	0	0	111	V317 D318 T319 L323 N324 Q326	V317-N321 PolarHBondContact O-N 3.41Å; V317-N321 PolarHBondContact O-OD1 3.39Å; D318-N321 WeakPolarHBondContact O-CB 3.44Å; D318-N321 PolarHBondContact O-N 2.98Å; D318-N321 VanDerWaalsContact O-N 3.17Å; T319-N321 VanDerWaalsContact C-N 3.32Å; T319-N321 PolarHBondContact O-N 3.18Å; N321-L323 VanDerWaalsContact C-N 3.32Å; N321-L323 PolarHBondContact O-N 3.04Å; N321-N324 PolarHBondContact O-N 3.01Å; N321-N324 VanDerWaalsContact O-N 3.13Å; N321-N324 PolarHBondContact O-OD1 3.5Å; N321-Q326 VanDerWaalsContact OD1-CD 3.29Å; N321-Q326 PolarHBondContact OD1-NE2 3.21Å; N321-Q326 PolarHBondContact OD1-OE1 3.01Å
322	Q	90.8	Very high	90.8	Very high	26 Å²	26	28.7 Å²	28.7	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-32.6	-176	-69.1	-169	43.3	0	0	113.4	V278 S293 D318 T319 N324	V278-Q322 HydrophobicContact CG1-CB 3.49Å; V278-Q322 VanDerWaalsContact CG1-CB 3.49Å; V278-Q322 HydrophobicContact CG1-CG 4.23Å; V278-Q322 PolarHBondContact O-OE1 3.35Å; V278-Q322 VanDerWaalsContact O-OE1 3.05Å; S293-Q322 VanDerWaalsContact CB-O 3.3Å; S293-Q322 WeakPolarHBondContact CB-O 3.35Å; D318-Q322 VanDerWaalsContact CG-NE2 3.31Å; D318-Q322 WeakPolarHBondContact O-CG 3.49Å; D318-Q322 PolarHBondContact O-N 3.44Å; D318-Q322 PolarHBondContact OD1-NE2 2.98Å; D318-Q322 PolarHBondContact OD2-NE2 3.4Å; T319-Q322 PolarHBondContact O-N 3.33Å; Q322-N324 VanDerWaalsContact C-N 3.34Å
323	L	93.8	Very high	91	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.9	177.2	-64	178.6	0	0	0	113.8	I272 V278 M292 L304 A306 T319 N321 M325	I272-L323 HydrophobicContact CG1-CD1 4.38Å; I272-L323 HydrophobicContact CG2-CD1 4.48Å; V278-L323 HydrophobicContact CG1-CD2 4.42Å; V278-L323 HydrophobicContact CG1-CG 4.36Å; V278-L323 HydrophobicContact CG2-CD1 4.23Å; V278-L323 HydrophobicContact CG2-CD2 4.12Å; V278-L323 HydrophobicContact CG2-CG 4.27Å; M292-L323 HydrophobicContact CB-CD2 3.75Å; L304-L323 HydrophobicContact CD2-CB 4.16Å; L304-L323 HydrophobicContact CD2-CD1 4.15Å; A306-L323 HydrophobicContact CB-CD1 4.17Å; T319-L323 HydrophobicContact CG2-CD1 3.75Å; T319-L323 HydrophobicContact CG2-CG 4.33Å; T319-L323 WeakPolarHBondContact O-CB 3.49Å; T319-L323 WeakPolarHBondContact O-CG 3.4Å; T319-L323 PolarHBondContact O-N 3.48Å; N321-L323 VanDerWaalsContact C-N 3.32Å; N321-L323 PolarHBondContact O-N 3.04Å; L323-M325 VanDerWaalsContact C-N 3.34Å; L323-M325 HydrophobicContact CB-CG 4Å; L323-M325 HydrophobicContact CB-SD 3.97Å; L323-M325 HydrophobicContact CD1-SD 3.92Å; L323-M325 PolarHBondContact O-N 3.11Å
324	N	92.5	Very high	91.2	Very high	87 Å²	87	29.8 Å²	29.8	47%	0.465	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.4	-175.6	-70.2	-24.9	0	0	0	113.1	R296 K320 N321 Q322	R296-N324 HydrophobicContact CG-CB 3.99Å; K320-N324 PolarHBondContact O-N 2.84Å; N321-N324 PolarHBondContact O-N 3.01Å; N321-N324 VanDerWaalsContact O-N 3.13Å; N321-N324 PolarHBondContact O-OD1 3.5Å; Q322-N324 VanDerWaalsContact C-N 3.34Å
325	M	93.1	Very high	91.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.			trans	-123.1	42.2	-177	65.1	179.4	-64	0	0	112.6	C163 F164 L304 A306 K320 L323 S327 S328	C163-M325 WeakPolarHBondContact O-CE 3.46Å; F164-M325 HydrophobicContact CB-CE 3.9Å; F164-M325 HydrophobicContact CD2-CE 3.91Å; F164-M325 HydrophobicContact CD2-SD 4.12Å; F164-M325 HydrophobicContact CG-CE 4.39Å; L304-M325 HydrophobicContact CD2-CB 4.46Å; L304-M325 HydrophobicContact CD2-CE 4.45Å; L304-M325 HydrophobicContact CD2-SD 3.73Å; A306-M325 HydrophobicContact CB-CE 3.95Å; A306-M325 HydrophobicContact CB-SD 3.8Å; K320-M325 HydrophobicContact CB-CG 4.12Å; K320-M325 HydrophobicContact CG-CG 4.06Å; K320-M325 PolarHBondContact O-N 3.22Å; L323-M325 VanDerWaalsContact C-N 3.34Å; L323-M325 HydrophobicContact CB-CG 4Å; L323-M325 HydrophobicContact CB-SD 3.97Å; L323-M325 HydrophobicContact CD1-SD 3.92Å; L323-M325 PolarHBondContact O-N 3.11Å; M325-S327 VanDerWaalsContact C-N 3.3Å; M325-S327 PolarHBondContact O-N 3.11Å; M325-S328 WeakPolarHBondContact CE-OG 3.34Å; M325-S328 WeakPolarHBondContact O-CB 3.37Å; M325-S328 PolarHBondContact O-N 3.35Å; M325-S328 VanDerWaalsContact O-N 3.08Å; M325-S328 PolarHBondContact O-OG 2.78Å
326	Q	86.5	Confident	91.6	Very high	110 Å²	110	28.9 Å²	28.9	51%	0.514	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.6	-177.1	-64	-51	-48.2	0	0	113.5	K320 N321 S328	K320-Q326 PolarHBondContact O-NE2 3.23Å; K320-Q326 VanDerWaalsContact O-NE2 3.09Å; N321-Q326 VanDerWaalsContact OD1-CD 3.29Å; N321-Q326 PolarHBondContact OD1-NE2 3.21Å; N321-Q326 PolarHBondContact OD1-OE1 3.01Å; Q326-S328 PolarHBondContact O-N 2.78Å
327	S	88.7	Confident	91.7	Very high	107 Å²	107	30.2 Å²	30.2	75%	0.748	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	9.4	179.5	54.8	0	0	0	0	114.1	M325	M325-S327 VanDerWaalsContact C-N 3.3Å; M325-S327 PolarHBondContact O-N 3.11Å
328	S	94.5	Very high	91.9	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.035	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-69.3	140.8	-179.7	58.2	0	0	0	0	113	D162 K320 M325 Q326 L330	D162-S328 WeakPolarHBondContact O-CA 3.4Å; K320-S328 WeakPolarHBondContact CE-OG 3.46Å; K320-S328 PolarHBondContact NZ-O 2.8Å; K320-S328 PolarHBondContact NZ-OG 3.11Å; K320-S328 VanDerWaalsContact NZ-OG 3.14Å; M325-S328 WeakPolarHBondContact CE-OG 3.34Å; M325-S328 WeakPolarHBondContact O-CB 3.37Å; M325-S328 PolarHBondContact O-N 3.35Å; M325-S328 VanDerWaalsContact O-N 3.08Å; M325-S328 PolarHBondContact O-OG 2.78Å; Q326-S328 PolarHBondContact O-N 2.78Å; S328-L330 PolarHBondContact O-N 3.2Å
329	K	95.8	Very high	92.2	Very high	56 Å²	56	33.4 Å²	33.4	24%	0.243	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.7	172.9	-60	-54.3	-171.3	178.6	0	110.3	D118 F122 H161 D162 C163 F164 F331	D118-K329 HydrophobicContact CB-CB 4.14Å; D118-K329 HydrophobicContact CB-CD 3.98Å; D118-K329 WeakPolarHBondContact OD1-CD 3.4Å; D118-K329 IonicContact OD1-NZ 3.78Å; D118-K329 PolarHBondContact OD1-NZ 2.96Å; D118-K329 WeakPolarHBondContact OD2-CA 3.15Å; F122-K329 HydrophobicContact CE2-CB 4.38Å; F122-K329 HydrophobicContact CE2-CD 4.12Å; F122-K329 HydrophobicContact CE2-CG 4Å; F122-K329 HydrophobicContact CZ-CD 4.27Å; F122-K329 HydrophobicContact CZ-CG 4.01Å; H161-K329 HydrophobicContact CB-CG 4.05Å; D162-K329 PolarHBondContact O-N 2.9Å; C163-K329 CarbonylContact C-O 3.6Å; C163-K329 WeakPolarHBondContact CA-O 3.13Å; F164-K329 PolarHBondContact N-O 3.3Å; K329-F331 HydrophobicContact CB-CE2 3.65Å; K329-F331 HydrophobicContact CB-CZ 3.86Å
330	L	94.4	Very high	92.4	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.4	-178.4	176.6	61.8	0	0	0	109.8	L115 H116 D118 F164 V316 S328 I332	L115-L330 HydrophobicContact CB-CD2 4.03Å; L115-L330 HydrophobicContact CD2-CD2 3.96Å; H116-L330 WeakPolarHBondContact O-CB 3.48Å; D118-L330 PolarHBondContact N-O 3.35Å; D118-L330 PolarHBondContact OD2-N 2.91Å; F164-L330 HydrophobicContact CB-CD1 3.93Å; F164-L330 HydrophobicContact CD1-CD1 3.57Å; F164-L330 HydrophobicContact CE1-CD1 4.46Å; F164-L330 HydrophobicContact CG-CD1 4.05Å; F164-L330 CarbonylContact O-C 3.51Å; F164-L330 WeakPolarHBondContact O-CA 3.34Å; V316-L330 HydrophobicContact CG1-CD1 4.37Å; S328-L330 PolarHBondContact O-N 3.2Å; L330-I332 HydrophobicContact CD1-CG1 4Å; L330-I332 HydrophobicContact CD2-CD1 3.76Å; L330-I332 HydrophobicContact CD2-CG1 4.08Å; L330-I332 HydrophobicContact CG-CD1 3.95Å; L330-I332 HydrophobicContact CG-CG1 3.69Å
331	F	94.5	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	175.2	-59.9	-81.1	0	0	0	109	F122 E152 A153 A156 C163 F164 I165 L166 K329	F122-F331 HydrophobicContact CB-CE1 4.5Å; F122-F331 AromaticContact CD2-CE1 3.73Å; F122-F331 HydrophobicContact CD2-CE1 3.73Å; F122-F331 AromaticContact CD2-CZ 3.7Å; F122-F331 HydrophobicContact CD2-CZ 3.7Å; F122-F331 HydrophobicContact CE2-CE1 4.38Å; F122-F331 AromaticContact CE2-CZ 3.96Å; F122-F331 HydrophobicContact CE2-CZ 3.96Å; F122-F331 HydrophobicContact CG-CE1 4.4Å; F122-F331 HydrophobicContact CG-CZ 4.38Å; E152-F331 HydrophobicContact CB-CD1 4.06Å; E152-F331 HydrophobicContact CB-CE1 3.94Å; A153-F331 HydrophobicContact CB-CB 4.26Å; A153-F331 HydrophobicContact CB-CD1 4.26Å; A153-F331 HydrophobicContact CB-CD2 3.94Å; A153-F331 HydrophobicContact CB-CE2 4.42Å; A153-F331 HydrophobicContact CB-CG 3.87Å; A156-F331 HydrophobicContact CB-CE1 4.45Å; A156-F331 HydrophobicContact CB-CE2 3.79Å; A156-F331 HydrophobicContact CB-CZ 3.37Å; C163-F331 HydrophobicContact CB-CD2 4.48Å; C163-F331 HydrophobicContact CB-CE2 4.26Å; F164-F331 PolarHBondContact O-N 3.02Å; I165-F331 HydrophobicContact CG1-CD2 4.39Å; L166-F331 PolarHBondContact N-O 3.49Å; K329-F331 HydrophobicContact CB-CE2 3.65Å; K329-F331 HydrophobicContact CB-CZ 3.86Å
332	I	91.8	Very high	93.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.3	-175.7	-40.7	173.4	0	0	0	109.4	F111 L115 D117 L166 L330 F335	F111-I332 HydrophobicContact CD1-CD1 4.47Å; F111-I332 HydrophobicContact CD1-CG2 3.99Å; F111-I332 HydrophobicContact CD2-CB 4.27Å; F111-I332 HydrophobicContact CD2-CD1 4.41Å; F111-I332 HydrophobicContact CD2-CG2 4.01Å; F111-I332 HydrophobicContact CE1-CG2 3.47Å; F111-I332 VanDerWaalsContact CE1-CG2 3.47Å; F111-I332 HydrophobicContact CE2-CB 4.02Å; F111-I332 HydrophobicContact CE2-CG2 3.51Å; F111-I332 HydrophobicContact CG-CD1 4.21Å; F111-I332 HydrophobicContact CG-CG2 4.25Å; F111-I332 HydrophobicContact CZ-CB 4.24Å; F111-I332 HydrophobicContact CZ-CG2 3.23Å; L115-I332 HydrophobicContact CB-CD1 3.49Å; L115-I332 VanDerWaalsContact CB-CD1 3.49Å; L115-I332 HydrophobicContact CD1-CD1 4.19Å; L115-I332 HydrophobicContact CG-CD1 4.39Å; D117-I332 HydrophobicContact CB-CD1 4.36Å; D117-I332 HydrophobicContact CB-CG1 4.41Å; L166-I332 HydrophobicContact CB-CG2 4.21Å; L166-I332 HydrophobicContact CD2-CG2 3.93Å; L166-I332 HydrophobicContact CG-CG2 4.12Å; L166-I332 WeakPolarHBondContact O-CA 3.37Å; L330-I332 HydrophobicContact CD1-CG1 4Å; L330-I332 HydrophobicContact CD2-CD1 3.76Å; L330-I332 HydrophobicContact CD2-CG1 4.08Å; L330-I332 HydrophobicContact CG-CD1 3.95Å; L330-I332 HydrophobicContact CG-CG1 3.69Å; I332-F335 HydrophobicContact CG2-CE2 4.19Å
333	S	91.4	Very high	93.4	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.035	19%	0.194	C	C	.	.			trans	-99.1	153.2	167.7	-68	0	0	0	0	110.7	F111 L166 M167 F335	F111-S333 WeakPolarHBondContact CZ-O 3.22Å; L166-S333 PolarHBondContact O-N 2.99Å; M167-S333 WeakPolarHBondContact CG-OG 3.28Å; S333-F335 PolarHBondContact O-N 3.16Å
334	T	90.6	Very high	93.6	Very high	51 Å²	51	37.3 Å²	37.3	31%	0.313	20%	0.2	S	C	.	.			trans	-52.4	138.6	169.9	-179.9	0	0	0	0	111.6	P168 V336 E524	P168-T334 WeakPolarHBondContact CD-O 3.31Å; P168-T334 VanDerWaalsContact CG-O 3.3Å; P168-T334 WeakPolarHBondContact CG-O 3.36Å; T334-V336 VanDerWaalsContact C-N 3.26Å; T334-V336 VanDerWaalsContact OG1-CB 3.31Å; T334-V336 WeakPolarHBondContact OG1-CB 3.48Å; T334-V336 VanDerWaalsContact OG1-CG2 3.28Å; T334-V336 WeakPolarHBondContact OG1-CG2 3.33Å; T334-V336 PolarHBondContact OG1-N 3.33Å; T334-E524 VanDerWaalsContact CA-OE2 3.3Å; T334-E524 WeakPolarHBondContact CA-OE2 3.38Å; T334-E524 WeakPolarHBondContact CB-OE1 3.3Å; T334-E524 PolarHBondContact OG1-OE1 2.9Å; T334-E524 PolarHBondContact OG1-OE2 3.19Å
335	F	90.8	Very high	93.8	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.186	C	C	.	.			trans	-86.1	0.7	171.3	-68.9	-96.9	0	0	0	111.8	F111 L166 A309 I332 S333 R337 Y450 V519 F522 E524	F111-F335 AromaticContact CE1-CD2 3.7Å; F111-F335 HydrophobicContact CE1-CD2 3.7Å; F111-F335 AromaticContact CE1-CE2 3.57Å; F111-F335 HydrophobicContact CE1-CE2 3.57Å; F111-F335 AromaticContact CZ-CD2 3.83Å; F111-F335 HydrophobicContact CZ-CD2 3.83Å; F111-F335 AromaticContact CZ-CE2 3.92Å; F111-F335 HydrophobicContact CZ-CE2 3.92Å; L166-F335 HydrophobicContact CD1-CE1 4.47Å; L166-F335 HydrophobicContact CD1-CZ 3.81Å; L166-F335 HydrophobicContact CD2-CE2 4.18Å; L166-F335 HydrophobicContact CD2-CZ 3.84Å; L166-F335 HydrophobicContact CG-CE2 4.18Å; L166-F335 HydrophobicContact CG-CZ 3.62Å; A309-F335 WeakPolarHBondContact O-CE1 3.19Å; I332-F335 HydrophobicContact CG2-CE2 4.19Å; S333-F335 PolarHBondContact O-N 3.16Å; F335-R337 PolarHBondContact O-N 3.41Å; F335-Y450 WeakPolarHBondContact CA-OH 3.3Å; F335-Y450 AromaticContact CD1-CE1 3.85Å; F335-Y450 HydrophobicContact CD1-CE1 3.85Å; F335-Y450 AromaticContact CD1-CZ 3.85Å; F335-Y450 PolarHBondContact O-OH 3.08Å; F335-V519 HydrophobicContact CB-CG2 4.47Å; F335-F522 HydrophobicContact CB-CD2 4.37Å; F335-F522 HydrophobicContact CD1-CB 3.78Å; F335-F522 HydrophobicContact CD1-CD1 4.19Å; F335-F522 AromaticContact CD1-CD2 3.47Å; F335-F522 HydrophobicContact CD1-CD2 3.47Å; F335-F522 VanDerWaalsContact CD1-CD2 3.47Å; F335-F522 HydrophobicContact CD1-CE2 4.09Å; F335-F522 AromaticContact CD1-CG 3.53Å; F335-F522 HydrophobicContact CD1-CG 3.53Å; F335-F522 HydrophobicContact CD2-CB 3.79Å; F335-F522 HydrophobicContact CD2-CG 4.47Å; F335-F522 HydrophobicContact CE1-CB 3.67Å; F335-F522 AromaticContact CE1-CD1 3.69Å; F335-F522 HydrophobicContact CE1-CD1 3.69Å; F335-F522 AromaticContact CE1-CD2 3.87Å; F335-F522 HydrophobicContact CE1-CD2 3.87Å; F335-F522 HydrophobicContact CE1-CE1 4.31Å; F335-F522 HydrophobicContact CE1-CE2 4.45Å; F335-F522 AromaticContact CE1-CG 3.45Å; F335-F522 HydrophobicContact CE1-CG 3.45Å; F335-F522 VanDerWaalsContact CE1-CG 3.45Å; F335-F522 HydrophobicContact CE2-CB 3.71Å; F335-F522 HydrophobicContact CE2-CG 4.41Å; F335-F522 HydrophobicContact CG-CB 3.83Å; F335-F522 AromaticContact CG-CD2 3.98Å; F335-F522 HydrophobicContact CG-CD2 3.98Å; F335-F522 HydrophobicContact CG-CG 4.05Å; F335-F522 HydrophobicContact CZ-CB 3.62Å; F335-F522 HydrophobicContact CZ-CD1 4.16Å; F335-F522 AromaticContact CZ-CG 3.91Å; F335-F522 HydrophobicContact CZ-CG 3.91Å; F335-E524 PolarHBondContact N-OE2 3.37Å
336	V	92.4	Very high	93.9	Very high	36 Å²	36	39.3 Å²	39.3	22%	0.218	21%	0.207	C	C	.	.			trans	-72.5	120.7	179.3	-179.2	0	0	0	0	110.3	T334 V519 Y526	T334-V336 VanDerWaalsContact C-N 3.26Å; T334-V336 VanDerWaalsContact OG1-CB 3.31Å; T334-V336 WeakPolarHBondContact OG1-CB 3.48Å; T334-V336 VanDerWaalsContact OG1-CG2 3.28Å; T334-V336 WeakPolarHBondContact OG1-CG2 3.33Å; T334-V336 PolarHBondContact OG1-N 3.33Å; V336-V519 HydrophobicContact CG2-CG1 4.12Å; V336-V519 HydrophobicContact CG2-CG2 3.99Å; V336-Y526 HydrophobicContact CB-CE2 4.43Å; V336-Y526 HydrophobicContact CG1-CE2 3.96Å; V336-Y526 HydrophobicContact CG2-CD2 3.55Å; V336-Y526 HydrophobicContact CG2-CE2 3.52Å
337	R	92.5	Very high	94.3	Very high	32 Å²	32	36.8 Å²	36.8	12%	0.121	19%	0.194	C	C	.	.			trans	-109.2	81.9	168.3	-68.3	-65.3	-57	-77.4	-11.2	109.3	F335 N339 L340 G454 A456 G457	F335-R337 PolarHBondContact O-N 3.41Å; R337-N339 PolarHBondContact NE-OD1 2.96Å; R337-N339 PolarHBondContact NH2-OD1 3.27Å; R337-N339 PolarHBondContact O-N 3.35Å; R337-L340 HydrophobicContact CB-CB 4.19Å; R337-L340 HydrophobicContact CB-CD1 3.7Å; R337-L340 HydrophobicContact CB-CG 3.8Å; R337-L340 HydrophobicContact CG-CD1 4.11Å; R337-L340 PolarHBondContact O-N 2.85Å; R337-G454 PolarHBondContact NH1-O 3.23Å; R337-A456 PolarHBondContact NH2-O 3.3Å; R337-G457 PolarHBondContact NH2-O 3.04Å
338	S	93	Very high	94.5	Very high	77 Å²	77	38 Å²	38	54%	0.538	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.9	-177.4	53.5	0	0	0	0	112.5	L340 R515 T537	S338-L340 VanDerWaalsContact C-N 3.26Å; S338-L340 PolarHBondContact O-N 3.43Å; S338-R515 PolarHBondContact O-NH2 2.89Å; S338-T537 WeakPolarHBondContact O-CB 3.23Å; S338-T537 WeakPolarHBondContact O-CG2 3.27Å; S338-T537 PolarHBondContact O-OG1 3.13Å
339	N	95	Very high	94.3	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.08	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.4	178.6	74.7	-61.7	0	0	0	114.9	R337 G457 G460 L461 P462 A463	R337-N339 PolarHBondContact NE-OD1 2.96Å; R337-N339 PolarHBondContact NH2-OD1 3.27Å; R337-N339 PolarHBondContact O-N 3.35Å; N339-G457 WeakPolarHBondContact ND2-CA 3.45Å; N339-G457 PolarHBondContact ND2-O 3.5Å; N339-G460 WeakPolarHBondContact CB-O 3.48Å; N339-L461 PolarHBondContact ND2-O 3.15Å; N339-P462 WeakPolarHBondContact O-CA 3.48Å; N339-A463 PolarHBondContact O-N 3.25Å
340	L	96.9	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.2	-178.1	-61.2	-173.2	0	0	0	112	R337 S338 Y342 A456 A463 R515	R337-L340 HydrophobicContact CB-CB 4.19Å; R337-L340 HydrophobicContact CB-CD1 3.7Å; R337-L340 HydrophobicContact CB-CG 3.8Å; R337-L340 HydrophobicContact CG-CD1 4.11Å; R337-L340 PolarHBondContact O-N 2.85Å; S338-L340 VanDerWaalsContact C-N 3.26Å; S338-L340 PolarHBondContact O-N 3.43Å; L340-Y342 HydrophobicContact CB-CE2 3.94Å; L340-A456 HydrophobicContact CD2-CB 3.63Å; L340-A463 WeakPolarHBondContact CA-O 3.49Å; L340-A463 HydrophobicContact CD2-CB 3.84Å; L340-R515 PolarHBondContact O-NE 2.73Å; L340-R515 PolarHBondContact O-NH2 3.31Å
341	R	97.8	Very high	94.2	Very high	76 Å²	76	53.2 Å²	53.2	29%	0.287	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	113.2	176.3	-172.6	172.2	-177.3	-168	-0.8	110.8	A463 C465 T537 A538 M543	R341-A463 PolarHBondContact N-O 2.89Å; R341-C465 PolarHBondContact O-N 3.09Å; R341-T537 WeakPolarHBondContact CA-O 3.35Å; R341-A538 WeakPolarHBondContact CG-O 3.2Å; R341-A538 PolarHBondContact NE-O 3.22Å; R341-M543 VanDerWaalsContact CZ-SD 3.58Å; R341-M543 PolarHBondContact NH2-SD 3.46Å
342	Y	98.5	Very high	94.3	Very high	6 Å²	6	55 Å²	55	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.6	-179.9	-65.7	-84.5	0	0	0	111.9	L340 Y449 T453 C465 R514 R515 L518 C539 D540	L340-Y342 HydrophobicContact CB-CE2 3.94Å; Y342-Y449 HydrophobicContact CD1-CE1 4.22Å; Y342-Y449 HydrophobicContact CE1-CE1 4.32Å; Y342-T453 HydrophobicContact CE1-CG2 4.35Å; Y342-C465 WeakPolarHBondContact CA-O 3.33Å; Y342-C465 HydrophobicContact CD1-CB 3.72Å; Y342-C465 HydrophobicContact CE1-CB 3.9Å; Y342-C465 HydrophobicContact CG-CB 4.45Å; Y342-R514 HydrophobicContact CG-CB 4.5Å; Y342-R515 HydrophobicContact CD2-CG 4.06Å; Y342-R515 HydrophobicContact CE2-CG 4.27Å; Y342-L518 HydrophobicContact CD1-CD1 3.76Å; Y342-L518 HydrophobicContact CD2-CD1 4.31Å; Y342-L518 HydrophobicContact CE1-CD1 3.48Å; Y342-L518 VanDerWaalsContact CE1-CD1 3.48Å; Y342-L518 HydrophobicContact CE2-CD1 4.06Å; Y342-L518 HydrophobicContact CG-CD1 4.16Å; Y342-C539 WeakPolarHBondContact O-CA 3.14Å; Y342-C539 WeakPolarHBondContact O-CB 3.37Å; Y342-D540 PolarHBondContact O-N 2.98Å
343	K	97.9	Very high	94.5	Very high	91 Å²	91	60 Å²	60	40%	0.396	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.5	176.6	-177.6	169.5	-174.3	178	0	111.4	I345 C465 I466 L467 D540	K343-I345 HydrophobicContact CD-CD1 4Å; K343-I345 HydrophobicContact CD-CG1 4.09Å; K343-I345 HydrophobicContact CG-CD1 4.27Å; K343-I345 HydrophobicContact CG-CG1 3.86Å; K343-C465 PolarHBondContact N-O 2.97Å; K343-I466 CarbonylContact O-C 3.5Å; K343-I466 WeakPolarHBondContact O-CA 3.32Å; K343-L467 PolarHBondContact O-N 2.86Å; K343-D540 HydrophobicContact CB-CB 4.23Å; K343-D540 HydrophobicContact CG-CB 3.98Å
344	V	97.9	Very high	94.8	Very high	23 Å²	23	62.4 Å²	62.4	14%	0.139	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.2	170.4	-176.1	0	0	0	0	108.6	L467 Y506 A507 D540	V344-L467 CarbonylContact C-O 3.45Å; V344-L467 WeakPolarHBondContact CA-O 3.47Å; V344-L467 HydrophobicContact CG2-CB 4.38Å; V344-L467 HydrophobicContact CG2-CD2 4.38Å; V344-Y506 HydrophobicContact CG2-CE1 3.9Å; V344-A507 HydrophobicContact CG1-CB 4.2Å; V344-D540 PolarHBondContact N-OD2 3.36Å
345	I	96.5	Very high	95.1	Very high	36 Å²	36	60 Å²	60	19%	0.185	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.6	-179.6	-53.3	-177.5	0	0	0	108.1	K343 K347 M358 I466 L467 F468 Y469	K343-I345 HydrophobicContact CD-CD1 4Å; K343-I345 HydrophobicContact CD-CG1 4.09Å; K343-I345 HydrophobicContact CG-CD1 4.27Å; K343-I345 HydrophobicContact CG-CG1 3.86Å; I345-K347 PolarHBondContact O-N 2.9Å; I345-M358 HydrophobicContact CD1-CE 4.1Å; I345-I466 HydrophobicContact CD1-CG2 3.73Å; I345-I466 HydrophobicContact CG1-CG2 4.1Å; I345-L467 PolarHBondContact N-O 3.07Å; I345-F468 HydrophobicContact CB-CD1 3.9Å; I345-F468 HydrophobicContact CB-CE1 3.91Å; I345-F468 HydrophobicContact CD1-CE1 4.11Å; I345-F468 HydrophobicContact CD1-CZ 4.22Å; I345-F468 HydrophobicContact CG2-CD1 4.02Å; I345-F468 HydrophobicContact CG2-CE1 3.79Å; I345-F468 CarbonylContact O-C 3.58Å; I345-F468 VanDerWaalsContact O-CA 3.31Å; I345-F468 WeakPolarHBondContact O-CA 3.03Å; I345-Y469 PolarHBondContact O-N 2.88Å
346	E	94.2	Very high	95.5	Very high	93 Å²	93	60.4 Å²	60.4	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.8	173.9	-171.3	167.9	170.6	0	0	110.6	E348 R611	E346-E348 PolarHBondContact O-N 2.75Å; E346-R611 IonicContact OE2-CZ 2.64Å; E346-R611 IonicContact OE2-NE 3.6Å; E346-R611 PolarHBondContact OE2-NE 2.91Å; E346-R611 IonicContact OE2-NH2 3.51Å; E346-R611 PolarHBondContact OE2-NH2 3.27Å
347	K	94.8	Very high	95.7	Very high	57 Å²	57	62.6 Å²	62.6	25%	0.248	31%	0.307	C	S	.	.			trans	-84.1	113.4	-176.9	-171.9	170.9	177.1	177.7	0	110	I345 T351 N440 F468 Y469 D473	I345-K347 PolarHBondContact O-N 2.9Å; K347-T351 HydrophobicContact CG-CG2 4.23Å; K347-N440 PolarHBondContact NZ-O 3.11Å; K347-F468 HydrophobicContact CB-CB 4.42Å; K347-Y469 VanDerWaalsContact CB-O 3.25Å; K347-Y469 WeakPolarHBondContact CB-O 3.37Å; K347-Y469 PolarHBondContact N-O 3.26Å; K347-D473 IonicContact NZ-OD1 2.9Å; K347-D473 IonicContact NZ-OD2 2.94Å; K347-D473 PolarHBondContact NZ-OD2 2.88Å
348	E	92.4	Very high	95.9	Very high	133 Å²	133	62.7 Å²	62.7	62%	0.621	31%	0.309	S	S	*	.			trans	-106.8	172.3	177.5	-62.2	-179.1	-177.1	0	0	112.4	E346 K350 T351	E346-E348 PolarHBondContact O-N 2.75Å; E348-K350 PolarHBondContact O-N 3.35Å; E348-K350 VanDerWaalsContact O-N 3.14Å; E348-T351 PolarHBondContact N-OG1 2.86Å; E348-T351 VanDerWaalsContact O-CB 3.31Å; E348-T351 WeakPolarHBondContact O-CB 2.89Å; E348-T351 PolarHBondContact O-N 2.57Å; E348-T351 PolarHBondContact O-OG1 3.05Å
349	K	90.4	Very high	96.2	Very high	220 Å²	220	59.1 Å²	59.1	96%	0.957	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.8	174.1	-65.9	-176.9	-180	-180	0	113.1
350	K	94.1	Very high	96.3	Very high	156 Å²	156	63.3 Å²	63.3	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	5	-178.4	-63.9	-178.2	-178.9	178.1	0	114.1	E348 M352 M353 T354	E348-K350 PolarHBondContact O-N 3.35Å; E348-K350 VanDerWaalsContact O-N 3.14Å; K350-M352 VanDerWaalsContact C-N 3.25Å; K350-M352 PolarHBondContact O-N 3.15Å; K350-M352 VanDerWaalsContact O-N 3.11Å; K350-M353 WeakPolarHBondContact O-CB 3.47Å; K350-M353 PolarHBondContact O-N 2.63Å; K350-T354 PolarHBondContact O-N 3.25Å; K350-T354 VanDerWaalsContact O-N 3.09Å; K350-T354 PolarHBondContact O-OG1 3.05Å
351	T	95.6	Very high	96.2	Very high	8 Å²	8	65.6 Å²	65.6	5%	0.049	33%	0.325	C	S	.	.	H	α-helix	trans	-47.8	-45.4	-175.5	-64.5	0	0	0	0	113.3	K347 E348 M353 T354 I355 F468	K347-T351 HydrophobicContact CG-CG2 4.23Å; E348-T351 PolarHBondContact N-OG1 2.86Å; E348-T351 VanDerWaalsContact O-CB 3.31Å; E348-T351 WeakPolarHBondContact O-CB 2.89Å; E348-T351 PolarHBondContact O-N 2.57Å; E348-T351 PolarHBondContact O-OG1 3.05Å; T351-M353 VanDerWaalsContact C-N 3.33Å; T351-M353 PolarHBondContact O-N 2.71Å; T351-T354 VanDerWaalsContact O-CB 3.31Å; T351-T354 WeakPolarHBondContact O-CB 3.2Å; T351-T354 PolarHBondContact O-N 3.06Å; T351-T354 VanDerWaalsContact O-N 3.17Å; T351-I355 HydrophobicContact CG2-CD1 4.15Å; T351-I355 WeakPolarHBondContact O-CG1 3.47Å; T351-I355 PolarHBondContact O-N 2.81Å; T351-F468 HydrophobicContact CG2-CB 4.16Å; T351-F468 HydrophobicContact CG2-CD1 3.38Å; T351-F468 HydrophobicContact CG2-CD2 4.13Å; T351-F468 HydrophobicContact CG2-CE1 3.68Å; T351-F468 HydrophobicContact CG2-CE2 4.4Å; T351-F468 HydrophobicContact CG2-CG 3.62Å; T351-F468 HydrophobicContact CG2-CZ 4.18Å
352	M	95.8	Very high	96.1	Very high	39 Å²	39	67.4 Å²	67.4	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-36.4	-179.5	-69.1	-48.9	-54.3	0	0	113.1	K350 T354 I355 V356 V381 L384	K350-M352 VanDerWaalsContact C-N 3.25Å; K350-M352 PolarHBondContact O-N 3.15Å; K350-M352 VanDerWaalsContact O-N 3.11Å; M352-T354 VanDerWaalsContact C-N 3.34Å; M352-I355 HydrophobicContact CE-CD1 4.26Å; M352-I355 PolarHBondContact O-N 2.69Å; M352-I355 HydrophobicContact SD-CD1 4.01Å; M352-V356 WeakPolarHBondContact O-CG2 3.48Å; M352-V356 PolarHBondContact O-N 3.08Å; M352-V381 HydrophobicContact CE-CB 4.32Å; M352-V381 HydrophobicContact CE-CG1 3.75Å; M352-V381 HydrophobicContact CE-CG2 3.95Å; M352-V381 HydrophobicContact SD-CG2 4.22Å; M352-L384 HydrophobicContact CB-CD2 3.49Å; M352-L384 VanDerWaalsContact CB-CD2 3.49Å; M352-L384 HydrophobicContact CE-CD2 3.88Å; M352-L384 HydrophobicContact CG-CD2 3.71Å
353	M	97.1	Very high	96	Very high	104 Å²	104	67.6 Å²	67.6	51%	0.512	34%	0.34	S	S	.	.	H	α-helix	trans	-69.7	-34.5	175.6	-64.6	-55.5	-165.8	0	0	111.5	K350 T351 V356 S357	K350-M353 WeakPolarHBondContact O-CB 3.47Å; K350-M353 PolarHBondContact O-N 2.63Å; T351-M353 VanDerWaalsContact C-N 3.33Å; T351-M353 PolarHBondContact O-N 2.71Å; M353-V356 PolarHBondContact O-N 3.44Å; M353-S357 WeakPolarHBondContact O-CB 3.33Å; M353-S357 PolarHBondContact O-N 3.33Å
354	T	96.8	Very high	95.9	Very high	57 Å²	57	71.2 Å²	71.2	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-44.9	170.5	-54.7	0	0	0	0	111.1	K350 T351 M352 S357 M358 F468	K350-T354 PolarHBondContact O-N 3.25Å; K350-T354 VanDerWaalsContact O-N 3.09Å; K350-T354 PolarHBondContact O-OG1 3.05Å; T351-T354 VanDerWaalsContact O-CB 3.31Å; T351-T354 WeakPolarHBondContact O-CB 3.2Å; T351-T354 PolarHBondContact O-N 3.06Å; T351-T354 VanDerWaalsContact O-N 3.17Å; M352-T354 VanDerWaalsContact C-N 3.34Å; T354-S357 PolarHBondContact O-N 3.48Å; T354-M358 HydrophobicContact CG2-CE 3.79Å; T354-M358 HydrophobicContact CG2-SD 4.5Å; T354-M358 WeakPolarHBondContact O-CG 3.31Å; T354-M358 PolarHBondContact O-N 2.81Å; T354-F468 HydrophobicContact CG2-CZ 4.48Å
355	I	97.3	Very high	95.7	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-60.8	-47.9	175.4	-67.2	170.4	0	0	0	110.7	T351 M352 S357 M358 L359 I370 L385 I438 F468	T351-I355 HydrophobicContact CG2-CD1 4.15Å; T351-I355 WeakPolarHBondContact O-CG1 3.47Å; T351-I355 PolarHBondContact O-N 2.81Å; M352-I355 HydrophobicContact CE-CD1 4.26Å; M352-I355 PolarHBondContact O-N 2.69Å; M352-I355 HydrophobicContact SD-CD1 4.01Å; I355-S357 VanDerWaalsContact C-N 3.3Å; I355-S357 PolarHBondContact O-N 3.13Å; I355-M358 PolarHBondContact O-N 3.17Å; I355-L359 HydrophobicContact CG2-CD1 3.73Å; I355-L359 HydrophobicContact CG2-CG 4.22Å; I355-L359 VanDerWaalsContact O-CG 3.27Å; I355-L359 WeakPolarHBondContact O-CG 3.45Å; I355-L359 PolarHBondContact O-N 2.88Å; I355-I370 HydrophobicContact CG2-CD1 3.97Å; I355-L385 HydrophobicContact CG2-CD2 4.46Å; I355-I438 HydrophobicContact CD1-CG2 4.22Å; I355-I438 HydrophobicContact CG2-CD1 4.25Å; I355-F468 HydrophobicContact CD1-CD2 3.99Å; I355-F468 HydrophobicContact CD1-CE2 3.69Å; I355-F468 HydrophobicContact CD1-CZ 4.33Å; I355-F468 HydrophobicContact CG1-CD2 4.24Å; I355-F468 HydrophobicContact CG1-CE2 3.44Å; I355-F468 VanDerWaalsContact CG1-CE2 3.44Å; I355-F468 HydrophobicContact CG1-CZ 3.75Å
356	V	98	Very high	95.7	Very high	9 Å²	9	73.5 Å²	73.5	6%	0.055	39%	0.388	C	S	.	.	H	α-helix	trans	-57.2	-44.1	177.1	169.1	0	0	0	0	111.4	M352 M353 L359 K360 L385 H388 I390	M352-V356 WeakPolarHBondContact O-CG2 3.48Å; M352-V356 PolarHBondContact O-N 3.08Å; M353-V356 PolarHBondContact O-N 3.44Å; V356-L359 PolarHBondContact O-N 3.31Å; V356-K360 HydrophobicContact CG1-CD 4.11Å; V356-K360 WeakPolarHBondContact O-CG 3.19Å; V356-K360 PolarHBondContact O-N 3.04Å; V356-L385 HydrophobicContact CG2-CD2 3.8Å; V356-H388 HydrophobicContact CG1-CB 3.83Å; V356-H388 HydrophobicContact CG2-CB 4.31Å; V356-I390 HydrophobicContact CB-CD1 4.47Å; V356-I390 HydrophobicContact CG1-CD1 4.17Å; V356-I390 HydrophobicContact CG2-CD1 4.36Å
357	S	97.4	Very high	95.9	Very high	82 Å²	82	69.6 Å²	69.6	57%	0.573	37%	0.371	S	S	*	.	H	α-helix	trans	-61.3	-45.5	177.3	179.7	0	0	0	0	111.8	M353 T354 I355 L359 K360 G361	M353-S357 WeakPolarHBondContact O-CB 3.33Å; M353-S357 PolarHBondContact O-N 3.33Å; T354-S357 PolarHBondContact O-N 3.48Å; I355-S357 VanDerWaalsContact C-N 3.3Å; I355-S357 PolarHBondContact O-N 3.13Å; S357-L359 PolarHBondContact O-N 3.2Å; S357-K360 PolarHBondContact O-N 2.99Å; S357-G361 PolarHBondContact O-N 3.13Å
358	M	97.3	Very high	96	Very high	35 Å²	35	66.9 Å²	66.9	17%	0.172	36%	0.359	C	S	.	.	H	α-helix	trans	-60.7	-43.5	176	-69.5	176.4	177.1	0	0	112.2	I345 T354 I355 K360 G361 I362 Y363 I466	I345-M358 HydrophobicContact CD1-CE 4.1Å; T354-M358 HydrophobicContact CG2-CE 3.79Å; T354-M358 HydrophobicContact CG2-SD 4.5Å; T354-M358 WeakPolarHBondContact O-CG 3.31Å; T354-M358 PolarHBondContact O-N 2.81Å; I355-M358 PolarHBondContact O-N 3.17Å; M358-K360 VanDerWaalsContact C-N 3.34Å; M358-K360 PolarHBondContact O-N 2.89Å; M358-G361 CarbonylContact O-C 3.53Å; M358-G361 PolarHBondContact O-N 3.36Å; M358-I362 HydrophobicContact CB-CD1 4.46Å; M358-I362 HydrophobicContact CB-CG1 4.3Å; M358-I362 HydrophobicContact CG-CD1 4.43Å; M358-I362 WeakPolarHBondContact O-CG1 3.32Å; M358-I362 PolarHBondContact O-N 3.31Å; M358-Y363 HydrophobicContact CB-CD2 3.94Å; M358-Y363 HydrophobicContact CB-CE2 3.86Å; M358-Y363 PolarHBondContact O-N 2.87Å; M358-I466 HydrophobicContact SD-CD1 4.01Å
359	L	97.7	Very high	96.3	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-32.7	-179.5	-69.1	173.9	0	0	0	113.3	I355 V356 S357 Y363 K364 I370 L385 I390 V418 F436	I355-L359 HydrophobicContact CG2-CD1 3.73Å; I355-L359 HydrophobicContact CG2-CG 4.22Å; I355-L359 VanDerWaalsContact O-CG 3.27Å; I355-L359 WeakPolarHBondContact O-CG 3.45Å; I355-L359 PolarHBondContact O-N 2.88Å; V356-L359 PolarHBondContact O-N 3.31Å; S357-L359 PolarHBondContact O-N 3.2Å; L359-Y363 HydrophobicContact CD2-CD2 4.32Å; L359-Y363 CarbonylContact O-C 3.6Å; L359-K364 WeakPolarHBondContact O-CA 3.49Å; L359-K364 PolarHBondContact O-N 3.47Å; L359-I370 HydrophobicContact CD1-CD1 4.45Å; L359-L385 HydrophobicContact CD1-CD1 4.06Å; L359-L385 HydrophobicContact CD1-CD2 3.62Å; L359-L385 HydrophobicContact CD1-CG 4.49Å; L359-I390 HydrophobicContact CB-CD1 3.74Å; L359-I390 HydrophobicContact CD1-CD1 3.91Å; L359-I390 HydrophobicContact CD1-CG2 4.34Å; L359-I390 HydrophobicContact CG-CD1 4.49Å; L359-V418 HydrophobicContact CD1-CG2 4.31Å; L359-V418 HydrophobicContact CD2-CG2 4Å; L359-F436 HydrophobicContact CD2-CD2 4.36Å; L359-F436 HydrophobicContact CD2-CE1 3.87Å; L359-F436 HydrophobicContact CD2-CE2 3.45Å; L359-F436 VanDerWaalsContact CD2-CE2 3.45Å; L359-F436 HydrophobicContact CD2-CZ 3.14Å
360	K	96.9	Very high	96.6	Very high	103 Å²	103	50.1 Å²	50.1	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-84.2	-27	176.9	-72.4	-175.5	174.8	-172.7	0	113.8	V356 S357 M358 H388 I390	V356-K360 HydrophobicContact CG1-CD 4.11Å; V356-K360 WeakPolarHBondContact O-CG 3.19Å; V356-K360 PolarHBondContact O-N 3.04Å; S357-K360 PolarHBondContact O-N 2.99Å; M358-K360 VanDerWaalsContact C-N 3.34Å; M358-K360 PolarHBondContact O-N 2.89Å; K360-H388 WeakPolarHBondContact CE-O 3.31Å; K360-H388 PolarHBondContact NZ-O 3.34Å; K360-I390 HydrophobicContact CG-CD1 4.32Å; K360-I390 HydrophobicContact CG-CG1 4.41Å
361	G	96.5	Very high	96.8	Very high	48 Å²	48	43 Å²	43	50%	0.495	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-101	177.3	0	0	0	0	0	111.2	S357 M358 Y363 K364	S357-G361 PolarHBondContact O-N 3.13Å; M358-G361 CarbonylContact O-C 3.53Å; M358-G361 PolarHBondContact O-N 3.36Å; G361-Y363 PolarHBondContact O-N 3.47Å; G361-Y363 VanDerWaalsContact O-N 3.11Å; G361-K364 WeakPolarHBondContact O-CB 3.46Å; G361-K364 PolarHBondContact O-N 2.89Å; G361-K364 VanDerWaalsContact O-N 3.12Å
362	I	95.6	Very high	96.8	Very high	114 Å²	114	43 Å²	43	59%	0.585	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.6	-169.4	61.7	170.3	0	0	0	115	M358	M358-I362 HydrophobicContact CB-CD1 4.46Å; M358-I362 HydrophobicContact CB-CG1 4.3Å; M358-I362 HydrophobicContact CG-CD1 4.43Å; M358-I362 WeakPolarHBondContact O-CG1 3.32Å; M358-I362 PolarHBondContact O-N 3.31Å
363	Y	96.7	Very high	96.6	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.035	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	17.8	178.8	-49.4	-53.9	0	0	0	113.8	M358 L359 G361 G365 S366 Q417 F436 H464 I466	M358-Y363 HydrophobicContact CB-CD2 3.94Å; M358-Y363 HydrophobicContact CB-CE2 3.86Å; M358-Y363 PolarHBondContact O-N 2.87Å; L359-Y363 HydrophobicContact CD2-CD2 4.32Å; L359-Y363 CarbonylContact O-C 3.6Å; G361-Y363 PolarHBondContact O-N 3.47Å; G361-Y363 VanDerWaalsContact O-N 3.11Å; Y363-G365 PolarHBondContact O-N 3.28Å; Y363-S366 WeakPolarHBondContact O-CB 3.21Å; Y363-S366 PolarHBondContact O-N 3.12Å; Y363-Q417 PolarHBondContact O-NE2 3.13Å; Y363-F436 HydrophobicContact CD1-CB 4.2Å; Y363-F436 AromaticContact CD1-CD1 3.71Å; Y363-F436 HydrophobicContact CD1-CD1 3.71Å; Y363-F436 HydrophobicContact CD1-CG 4.24Å; Y363-F436 HydrophobicContact CD2-CB 4.38Å; Y363-F436 AromaticContact CD2-CD1 3.86Å; Y363-F436 HydrophobicContact CD2-CD1 3.86Å; Y363-F436 HydrophobicContact CD2-CE1 4.3Å; Y363-F436 HydrophobicContact CD2-CG 4.01Å; Y363-F436 HydrophobicContact CE1-CB 3.91Å; Y363-F436 HydrophobicContact CE1-CD1 4.29Å; Y363-F436 HydrophobicContact CE1-CG 4.4Å; Y363-F436 HydrophobicContact CE2-CB 4.09Å; Y363-F436 HydrophobicContact CE2-CD1 4.42Å; Y363-F436 HydrophobicContact CE2-CG 4.17Å; Y363-F436 HydrophobicContact CG-CB 4.43Å; Y363-F436 AromaticContact CG-CD1 3.47Å; Y363-F436 HydrophobicContact CG-CD1 3.47Å; Y363-F436 VanDerWaalsContact CG-CD1 3.47Å; Y363-F436 AromaticContact CG-CE1 3.93Å; Y363-F436 HydrophobicContact CG-CE1 3.93Å; Y363-F436 HydrophobicContact CG-CG 4.04Å; Y363-H464 HydrophobicContact CE1-CB 4.23Å; Y363-H464 AromaticContact CE1-ND1 3.52Å; Y363-H464 AromaticContact CZ-ND1 3.55Å; Y363-H464 WeakPolarHBondContact OH-CB 3.48Å; Y363-H464 PolarHBondContact OH-ND1 3.42Å; Y363-I466 WeakPolarHBondContact OH-CD1 3.42Å
364	K	95.4	Very high	96.4	Very high	167 Å²	167	39.1 Å²	39.1	73%	0.726	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128	177.1	-171.8	179.1	177.6	-175.5	0	110	L359 G361 S366	L359-K364 WeakPolarHBondContact O-CA 3.49Å; L359-K364 PolarHBondContact O-N 3.47Å; G361-K364 WeakPolarHBondContact O-CB 3.46Å; G361-K364 PolarHBondContact O-N 2.89Å; G361-K364 VanDerWaalsContact O-N 3.12Å; K364-S366 PolarHBondContact O-N 2.88Å; K364-S366 VanDerWaalsContact O-N 3.15Å
365	G	93.6	Very high	96.2	Very high	75 Å²	75	43.1 Å²	43.1	77%	0.773	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	-2.2	-179.6	0	0	0	0	0	115.4	Y363	Y363-G365 PolarHBondContact O-N 3.28Å
366	S	96.8	Very high	96.1	Very high	33 Å²	33	49.3 Å²	49.3	23%	0.231	27%	0.273	C	S	.	.			trans	-92.6	142.4	178.9	-64.1	0	0	0	0	111.9	Y363 K364 Q417	Y363-S366 WeakPolarHBondContact O-CB 3.21Å; Y363-S366 PolarHBondContact O-N 3.12Å; K364-S366 PolarHBondContact O-N 2.88Å; K364-S366 VanDerWaalsContact O-N 3.15Å; S366-Q417 WeakPolarHBondContact O-CG 3.44Å; S366-Q417 PolarHBondContact O-NE2 3.49Å
367	S	97.4	Very high	96	Very high	11 Å²	11	49.7 Å²	49.7	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.3	173.6	-65.2	0	0	0	0	112.3	Q417 K431 R435	S367-Q417 WeakPolarHBondContact CA-O 3.39Å; S367-K431 VanDerWaalsContact CB-CE 3.44Å; S367-K431 WeakPolarHBondContact OG-CE 3.17Å; S367-R435 PolarHBondContact O-N 3.44Å
368	G	97.5	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	176.3	173.9	0	0	0	0	0	114.7	W411 Q417 V418 I419 F436	G368-W411 PolarHBondContact O-NE1 3.11Å; G368-Q417 PolarHBondContact N-O 2.7Å; G368-V418 WeakPolarHBondContact O-CA 3.27Å; G368-I419 PolarHBondContact O-N 3.32Å; G368-F436 VanDerWaalsContact CA-CZ 3.44Å; G368-F436 WeakPolarHBondContact CA-O 3.46Å
369	I	97.6	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.8	-176.4	-53.6	173.8	0	0	0	108.8	Y371 W411 I419 F425 V434 F436 V437 I438 R455	I369-Y371 HydrophobicContact CG2-CD1 4.49Å; I369-Y371 HydrophobicContact CG2-CD2 4.1Å; I369-Y371 HydrophobicContact CG2-CE1 4.24Å; I369-Y371 HydrophobicContact CG2-CE2 3.82Å; I369-Y371 HydrophobicContact CG2-CG 4.42Å; I369-W411 HydrophobicContact CD1-CH2 4.05Å; I369-W411 HydrophobicContact CD1-CZ2 4.24Å; I369-W411 HydrophobicContact CG1-CH2 4.08Å; I369-W411 HydrophobicContact CG1-CZ2 3.74Å; I369-I419 WeakPolarHBondContact CA-O 3.5Å; I369-F425 HydrophobicContact CD1-CD1 4.3Å; I369-F425 HydrophobicContact CD1-CE1 4.01Å; I369-F425 HydrophobicContact CG1-CE1 4.2Å; I369-F425 HydrophobicContact CG2-CD1 4.21Å; I369-V434 HydrophobicContact CG1-CG1 4.42Å; I369-F436 PolarHBondContact N-O 2.93Å; I369-F436 VanDerWaalsContact N-O 3.08Å; I369-V437 HydrophobicContact CB-CG2 4.45Å; I369-V437 WeakPolarHBondContact O-CA 3.27Å; I369-I438 PolarHBondContact O-N 2.97Å; I369-R455 HydrophobicContact CD1-CB 4.34Å
370	I	98.1	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.2	168.1	-57.2	-179.1	0	0	0	108.7	I355 L359 V381 L385 V418 I419 C420 A421 I438 N440	I355-I370 HydrophobicContact CG2-CD1 3.97Å; L359-I370 HydrophobicContact CD1-CD1 4.45Å; I370-V381 HydrophobicContact CD1-CG1 4.31Å; I370-V381 HydrophobicContact CG2-CG1 4.39Å; I370-L385 HydrophobicContact CD1-CD1 3.73Å; I370-V418 HydrophobicContact CD1-CG1 3.74Å; I370-V418 HydrophobicContact CG1-CG1 3.68Å; I370-I419 PolarHBondContact N-O 3.07Å; I370-C420 CarbonylContact O-C 3.56Å; I370-C420 WeakPolarHBondContact O-CA 3.46Å; I370-A421 PolarHBondContact O-N 2.91Å; I370-I438 CarbonylContact C-O 3.56Å; I370-I438 WeakPolarHBondContact CA-O 3.25Å; I370-I438 HydrophobicContact CG1-CB 4.2Å; I370-I438 HydrophobicContact CG2-CG2 4.48Å; I370-N440 HydrophobicContact CG2-CB 3.88Å
371	Y	97.6	Very high	96	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.6	174.5	-77	-65.8	0	0	0	111.5	I369 A421 F425 V437 I438 H439 N440 E452 R455	I369-Y371 HydrophobicContact CG2-CD1 4.49Å; I369-Y371 HydrophobicContact CG2-CD2 4.1Å; I369-Y371 HydrophobicContact CG2-CE1 4.24Å; I369-Y371 HydrophobicContact CG2-CE2 3.82Å; I369-Y371 HydrophobicContact CG2-CG 4.42Å; Y371-A421 CarbonylContact C-O 3.28Å; Y371-A421 VanDerWaalsContact CA-O 3.27Å; Y371-A421 WeakPolarHBondContact CA-O 3.47Å; Y371-F425 WeakPolarHBondContact CE1-O 3.4Å; Y371-F425 PolarHBondContact OH-O 2.91Å; Y371-V437 HydrophobicContact CD2-CG1 3.84Å; Y371-V437 HydrophobicContact CE2-CG1 3.94Å; Y371-I438 PolarHBondContact N-O 3.39Å; Y371-H439 AromaticContact CD2-CE1 3.74Å; Y371-H439 AromaticContact CD2-NE2 3.75Å; Y371-N440 WeakPolarHBondContact O-CB 3.21Å; Y371-N440 PolarHBondContact O-N 3.09Å; Y371-E452 HydrophobicContact CD2-CB 3.99Å; Y371-E452 HydrophobicContact CD2-CG 4.31Å; Y371-E452 HydrophobicContact CE1-CG 4.42Å; Y371-E452 HydrophobicContact CE2-CB 3.56Å; Y371-E452 HydrophobicContact CE2-CG 3.89Å; Y371-R455 WeakPolarHBondContact OH-CD 3.24Å; Y371-R455 PolarHBondContact OH-NE 3.44Å
372	C	95.9	Very high	96.1	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.054	25%	0.245	C	C	.	.			trans	-116.6	154.1	179	-63.8	0	0	0	0	111.1	D377 A421	C372-D377 HydrophobicContact CB-CB 3.82Å; C372-A421 PolarHBondContact N-O 2.87Å
373	L	92.4	Very high	96.2	Very high	32 Å²	32	47 Å²	47	17%	0.168	25%	0.248	C	C	.	.	S	Bend	trans	-68.1	-43.9	-178.9	-178.8	65.1	0	0	0	112.8	R476 L477	L373-R476 HydrophobicContact CD2-CB 3.68Å; L373-L477 HydrophobicContact CD1-CB 4.18Å; L373-L477 HydrophobicContact CD1-CD1 3.44Å; L373-L477 VanDerWaalsContact CD1-CD1 3.44Å; L373-L477 HydrophobicContact CD1-CG 4.32Å
374	S	91.6	Very high	96.3	Very high	30 Å²	30	49 Å²	49	21%	0.21	26%	0.259	C	S	.	.	S	Bend	trans	-125	162.4	-170.3	96.1	0	0	0	0	112.1	K376 D377 C378	S374-K376 VanDerWaalsContact C-N 3.29Å; S374-K376 PolarHBondContact O-N 2.76Å; S374-K376 PolarHBondContact OG-N 3.21Å; S374-D377 PolarHBondContact O-N 3.31Å; S374-D377 VanDerWaalsContact OG-CG 3.25Å; S374-D377 PolarHBondContact OG-N 3.24Å; S374-D377 PolarHBondContact OG-OD1 2.84Å; S374-C378 PolarHBondContact O-N 3.24Å; S374-C378 VanDerWaalsContact O-N 3.13Å; S374-C378 PolarHBondContact O-SG 2.67Å; S374-C378 VanDerWaalsContact O-SG 3.37Å
375	R	94	Very high	96.4	Very high	140 Å²	140	41 Å²	41	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-42.7	174.5	-55.9	-177.8	-175.3	173.8	1.7	111.2	D377 C378 E379 H396	R375-D377 VanDerWaalsContact C-N 3.34Å; R375-D377 PolarHBondContact O-N 3.45Å; R375-C378 WeakPolarHBondContact O-CB 3.44Å; R375-C378 PolarHBondContact O-N 3.4Å; R375-E379 PolarHBondContact O-N 3.09Å; R375-H396 HydrophobicContact CB-CB 4.31Å; R375-H396 HydrophobicContact CG-CB 3.96Å
376	K	94.9	Very high	96.6	Very high	130 Å²	130	40.2 Å²	40.2	57%	0.565	21%	0.206	S	C	*	.	H	α-helix	trans	-60.9	-44.2	176.6	178.7	174.8	171.5	174.6	0	111.1	S374 C378 E379 E380	S374-K376 VanDerWaalsContact C-N 3.29Å; S374-K376 PolarHBondContact O-N 2.76Å; S374-K376 PolarHBondContact OG-N 3.21Å; K376-C378 VanDerWaalsContact C-N 3.26Å; K376-C378 PolarHBondContact O-N 2.83Å; K376-E379 PolarHBondContact O-N 3.45Å; K376-E379 VanDerWaalsContact O-N 3.16Å; K376-E380 WeakPolarHBondContact CE-OE1 2.89Å; K376-E380 HydrophobicContact CG-CG 4.33Å; K376-E380 IonicContact NZ-OE1 3.04Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.08Å
377	D	95.2	Very high	96.7	Very high	18 Å²	18	42.4 Å²	42.4	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-35.5	178.1	-62.5	26.2	0	0	0	110.8	C372 S374 R375 V381 R476	C372-D377 HydrophobicContact CB-CB 3.82Å; S374-D377 PolarHBondContact O-N 3.31Å; S374-D377 VanDerWaalsContact OG-CG 3.25Å; S374-D377 PolarHBondContact OG-N 3.24Å; S374-D377 PolarHBondContact OG-OD1 2.84Å; R375-D377 VanDerWaalsContact C-N 3.34Å; R375-D377 PolarHBondContact O-N 3.45Å; D377-V381 VanDerWaalsContact O-CB 3.31Å; D377-V381 WeakPolarHBondContact O-CB 3.44Å; D377-V381 WeakPolarHBondContact O-CG2 3.32Å; D377-V381 PolarHBondContact O-N 2.95Å; D377-R476 IonicContact OD1-NH2 3.49Å; D377-R476 PolarHBondContact OD1-NH2 3.28Å; D377-R476 IonicContact OD2-CZ 3.34Å; D377-R476 IonicContact OD2-NH1 3.08Å; D377-R476 IonicContact OD2-NH2 2.72Å; D377-R476 PolarHBondContact OD2-NH2 3.05Å
378	C	97.4	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-47	174	-63.6	0	0	0	0	112.6	S374 R375 K376 A382 A394 C420 T422	S374-C378 PolarHBondContact O-N 3.24Å; S374-C378 VanDerWaalsContact O-N 3.13Å; S374-C378 PolarHBondContact O-SG 2.67Å; S374-C378 VanDerWaalsContact O-SG 3.37Å; R375-C378 WeakPolarHBondContact O-CB 3.44Å; R375-C378 PolarHBondContact O-N 3.4Å; K376-C378 VanDerWaalsContact C-N 3.26Å; K376-C378 PolarHBondContact O-N 2.83Å; C378-A382 WeakPolarHBondContact O-CB 3.34Å; C378-A382 PolarHBondContact O-N 3.03Å; C378-A394 HydrophobicContact CB-CB 4.09Å; C378-C420 WeakPolarHBondContact CB-O 3.3Å; C378-T422 PolarHBondContact SG-N 3.34Å
379	E	97.8	Very high	96.6	Very high	100 Å²	100	53 Å²	53	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-47.7	-179.1	-68.1	177	-179.9	0	0	110.9	R375 K376 V381 A382 V383 A394 H396	R375-E379 PolarHBondContact O-N 3.09Å; K376-E379 PolarHBondContact O-N 3.45Å; K376-E379 VanDerWaalsContact O-N 3.16Å; E379-V381 PolarHBondContact O-N 3.01Å; E379-A382 PolarHBondContact O-N 3.11Å; E379-V383 WeakPolarHBondContact O-CG2 3.48Å; E379-V383 PolarHBondContact O-N 3.46Å; E379-A394 HydrophobicContact CG-CB 4.2Å; E379-H396 IonicContact OE1-CE1 3.83Å; E379-H396 PolarHBondContact OE1-CE1 3.09Å; E379-H396 VanDerWaalsContact OE1-CE1 3.24Å; E379-H396 IonicContact OE1-NE2 3.47Å; E379-H396 PolarHBondContact OE1-NE2 2.68Å
380	E	97.5	Very high	96.7	Very high	106 Å²	106	53.4 Å²	53.4	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-45.1	178.4	-72	178.1	171.4	0	0	112.1	K376 V383 L384	K376-E380 WeakPolarHBondContact CE-OE1 2.89Å; K376-E380 HydrophobicContact CG-CG 4.33Å; K376-E380 IonicContact NZ-OE1 3.04Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.08Å; E380-V383 PolarHBondContact O-N 3.28Å; E380-L384 WeakPolarHBondContact O-CB 3.43Å; E380-L384 PolarHBondContact O-N 2.6Å
381	V	97.8	Very high	96.6	Very high	8 Å²	8	60.1 Å²	60.1	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-44.5	177.8	172	0	0	0	0	110.8	M352 I370 D377 E379 V383 L384 L385 C420	M352-V381 HydrophobicContact CE-CB 4.32Å; M352-V381 HydrophobicContact CE-CG1 3.75Å; M352-V381 HydrophobicContact CE-CG2 3.95Å; M352-V381 HydrophobicContact SD-CG2 4.22Å; I370-V381 HydrophobicContact CD1-CG1 4.31Å; I370-V381 HydrophobicContact CG2-CG1 4.39Å; D377-V381 VanDerWaalsContact O-CB 3.31Å; D377-V381 WeakPolarHBondContact O-CB 3.44Å; D377-V381 WeakPolarHBondContact O-CG2 3.32Å; D377-V381 PolarHBondContact O-N 2.95Å; E379-V381 PolarHBondContact O-N 3.01Å; V381-V383 PolarHBondContact O-N 3.41Å; V381-L384 PolarHBondContact O-N 3.06Å; V381-L385 HydrophobicContact CG1-CD1 4.12Å; V381-L385 HydrophobicContact CG1-CG 4.34Å; V381-L385 VanDerWaalsContact O-CG 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.42Å; V381-L385 PolarHBondContact O-N 2.85Å; V381-C420 HydrophobicContact CG1-CB 4.33Å
382	A	98	Very high	96.7	Very high	8 Å²	8	60 Å²	60	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-46.4	178.3	0	0	0	0	0	111.9	C378 E379 L384 L385 C386 A394 C420	C378-A382 WeakPolarHBondContact O-CB 3.34Å; C378-A382 PolarHBondContact O-N 3.03Å; E379-A382 PolarHBondContact O-N 3.11Å; A382-L384 VanDerWaalsContact C-N 3.34Å; A382-L384 PolarHBondContact O-N 3.08Å; A382-L385 PolarHBondContact O-N 2.8Å; A382-C386 WeakPolarHBondContact O-CB 3.43Å; A382-C386 PolarHBondContact O-N 3.4Å; A382-C386 PolarHBondContact O-SG 3.06Å; A382-C386 VanDerWaalsContact O-SG 3.36Å; A382-A394 HydrophobicContact CB-CB 4.04Å; A382-C420 HydrophobicContact CB-CB 4.22Å
383	V	98.2	Very high	96.7	Very high	105 Å²	105	62.8 Å²	62.8	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-59.6	-44.6	176.9	170.4	0	0	0	0	111.2	E379 E380 V381 L385 C386 S387	E379-V383 WeakPolarHBondContact O-CG2 3.48Å; E379-V383 PolarHBondContact O-N 3.46Å; E380-V383 PolarHBondContact O-N 3.28Å; V381-V383 PolarHBondContact O-N 3.41Å; V383-L385 PolarHBondContact O-N 3.45Å; V383-C386 PolarHBondContact O-N 2.94Å; V383-S387 PolarHBondContact O-N 3.3Å
384	L	98	Very high	97	Very high	51 Å²	51	61.5 Å²	61.5	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-39	179.1	-176.3	65.8	0	0	0	112.6	M352 E380 V381 A382 S387 H388	M352-L384 HydrophobicContact CB-CD2 3.49Å; M352-L384 VanDerWaalsContact CB-CD2 3.49Å; M352-L384 HydrophobicContact CE-CD2 3.88Å; M352-L384 HydrophobicContact CG-CD2 3.71Å; E380-L384 WeakPolarHBondContact O-CB 3.43Å; E380-L384 PolarHBondContact O-N 2.6Å; V381-L384 PolarHBondContact O-N 3.06Å; A382-L384 VanDerWaalsContact C-N 3.34Å; A382-L384 PolarHBondContact O-N 3.08Å; L384-S387 PolarHBondContact O-OG 2.89Å; L384-H388 PolarHBondContact O-N 3.47Å; L384-H388 PolarHBondContact O-ND1 3.44Å
385	L	98.1	Very high	97.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-42.3	175.9	-68.4	-178	0	0	0	111.4	I355 V356 L359 I370 V381 A382 V383 S387 H388 K389 I390 A392 V418	I355-L385 HydrophobicContact CG2-CD2 4.46Å; V356-L385 HydrophobicContact CG2-CD2 3.8Å; L359-L385 HydrophobicContact CD1-CD1 4.06Å; L359-L385 HydrophobicContact CD1-CD2 3.62Å; L359-L385 HydrophobicContact CD1-CG 4.49Å; I370-L385 HydrophobicContact CD1-CD1 3.73Å; V381-L385 HydrophobicContact CG1-CD1 4.12Å; V381-L385 HydrophobicContact CG1-CG 4.34Å; V381-L385 VanDerWaalsContact O-CG 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.42Å; V381-L385 PolarHBondContact O-N 2.85Å; A382-L385 PolarHBondContact O-N 2.8Å; V383-L385 PolarHBondContact O-N 3.45Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 2.81Å; L385-H388 CarbonylContact O-C 3.47Å; L385-H388 WeakPolarHBondContact O-CA 3.29Å; L385-H388 PolarHBondContact O-N 3.23Å; L385-K389 PolarHBondContact O-N 2.68Å; L385-I390 HydrophobicContact CB-CB 4.17Å; L385-I390 HydrophobicContact CB-CG2 4.32Å; L385-I390 HydrophobicContact CD2-CD1 3.95Å; L385-I390 WeakPolarHBondContact O-CB 3.45Å; L385-I390 PolarHBondContact O-N 2.99Å; L385-A392 HydrophobicContact CB-CB 3.68Å; L385-A392 HydrophobicContact CD1-CB 3.82Å; L385-A392 HydrophobicContact CG-CB 4.41Å; L385-V418 HydrophobicContact CD1-CB 4.5Å; L385-V418 HydrophobicContact CD1-CG1 4.18Å
386	C	97.8	Very high	97.1	Very high	58 Å²	58	54.3 Å²	54.3	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-38.9	176.7	-74.4	0	0	0	0	112.6	A382 V383 H388 K389 I390 A392	A382-C386 WeakPolarHBondContact O-CB 3.43Å; A382-C386 PolarHBondContact O-N 3.4Å; A382-C386 PolarHBondContact O-SG 3.06Å; A382-C386 VanDerWaalsContact O-SG 3.36Å; V383-C386 PolarHBondContact O-N 2.94Å; C386-H388 PolarHBondContact O-N 3.34Å; C386-K389 PolarHBondContact O-N 3.36Å; C386-I390 WeakPolarHBondContact CA-O 3.26Å; C386-A392 PolarHBondContact SG-O 3.45Å
387	S	97.8	Very high	96.7	Very high	78 Å²	78	50.7 Å²	50.7	55%	0.545	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-26.1	175.2	75	0	0	0	0	112.5	V383 L384 L385 K389	V383-S387 PolarHBondContact O-N 3.3Å; L384-S387 PolarHBondContact O-OG 2.89Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 2.81Å; S387-K389 VanDerWaalsContact C-N 3.34Å
388	H	97.4	Very high	96.4	Very high	45 Å²	45	51.9 Å²	51.9	21%	0.208	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	15.4	173.7	-66.7	81.2	0	0	0	113.8	V356 K360 L384 L385 C386 I390	V356-H388 HydrophobicContact CG1-CB 3.83Å; V356-H388 HydrophobicContact CG2-CB 4.31Å; K360-H388 WeakPolarHBondContact CE-O 3.31Å; K360-H388 PolarHBondContact NZ-O 3.34Å; L384-H388 PolarHBondContact O-N 3.47Å; L384-H388 PolarHBondContact O-ND1 3.44Å; L385-H388 CarbonylContact O-C 3.47Å; L385-H388 WeakPolarHBondContact O-CA 3.29Å; L385-H388 PolarHBondContact O-N 3.23Å; C386-H388 PolarHBondContact O-N 3.34Å; H388-I390 VanDerWaalsContact C-N 3.31Å; H388-I390 PolarHBondContact O-N 3.22Å
389	K	96.7	Very high	96	Very high	190 Å²	190	52.8 Å²	52.8	83%	0.826	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	27.6	178.5	-49.2	-62	-175.4	179.9	0	114.6	L385 C386 S387	L385-K389 PolarHBondContact O-N 2.68Å; C386-K389 PolarHBondContact O-N 3.36Å; S387-K389 VanDerWaalsContact C-N 3.34Å
390	I	97.7	Very high	95.7	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.041	29%	0.294	C	S	.	.			trans	-95.8	133	171.2	-64	161.9	0	0	0	108.1	V356 L359 K360 L385 C386 H388 A392 V418	V356-I390 HydrophobicContact CB-CD1 4.47Å; V356-I390 HydrophobicContact CG1-CD1 4.17Å; V356-I390 HydrophobicContact CG2-CD1 4.36Å; L359-I390 HydrophobicContact CB-CD1 3.74Å; L359-I390 HydrophobicContact CD1-CD1 3.91Å; L359-I390 HydrophobicContact CD1-CG2 4.34Å; L359-I390 HydrophobicContact CG-CD1 4.49Å; K360-I390 HydrophobicContact CG-CD1 4.32Å; K360-I390 HydrophobicContact CG-CG1 4.41Å; L385-I390 HydrophobicContact CB-CB 4.17Å; L385-I390 HydrophobicContact CB-CG2 4.32Å; L385-I390 HydrophobicContact CD2-CD1 3.95Å; L385-I390 WeakPolarHBondContact O-CB 3.45Å; L385-I390 PolarHBondContact O-N 2.99Å; C386-I390 WeakPolarHBondContact CA-O 3.26Å; H388-I390 VanDerWaalsContact C-N 3.31Å; H388-I390 PolarHBondContact O-N 3.22Å; I390-A392 PolarHBondContact O-N 2.99Å; I390-V418 HydrophobicContact CG2-CG2 3.96Å
391	K	97.8	Very high	94.9	Very high	140 Å²	140	51.5 Å²	51.5	61%	0.609	30%	0.298	S	S	*	.			trans	-75.6	92.1	178.4	-61.7	-175.9	-173.4	176.6	0	109.7	K415 Q417 V418	K391-K415 VanDerWaalsContact CD-O 3.28Å; K391-K415 WeakPolarHBondContact CD-O 3.31Å; K391-Q417 HydrophobicContact CB-CB 4.24Å; K391-Q417 WeakPolarHBondContact O-CB 3.28Å; K391-Q417 PolarHBondContact O-N 3.07Å; K391-V418 PolarHBondContact O-N 3.32Å
392	A	98	Very high	94.4	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.8	-177.3	0	0	0	0	0	112.3	L385 C386 I390 V418	L385-A392 HydrophobicContact CB-CB 3.68Å; L385-A392 HydrophobicContact CD1-CB 3.82Å; L385-A392 HydrophobicContact CG-CB 4.41Å; C386-A392 PolarHBondContact SG-O 3.45Å; I390-A392 PolarHBondContact O-N 2.99Å; A392-V418 VanDerWaalsContact CA-O 3.25Å; A392-V418 WeakPolarHBondContact CA-O 3.19Å; A392-V418 HydrophobicContact CB-CB 4.14Å
393	E	97.6	Very high	94.1	Very high	66 Å²	66	60 Å²	60	31%	0.308	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.1	173.5	-80.7	-70.8	164.8	0	0	110.8	R403 V407 I416 V418 C420	E393-R403 IonicContact OE2-NH2 3.04Å; E393-V407 HydrophobicContact CB-CG1 3.82Å; E393-V407 HydrophobicContact CB-CG2 4.33Å; E393-V407 HydrophobicContact CG-CG2 4.43Å; E393-I416 HydrophobicContact CB-CD1 4.06Å; E393-I416 HydrophobicContact CB-CG2 4.35Å; E393-I416 HydrophobicContact CG-CD1 3.66Å; E393-I416 HydrophobicContact CG-CG1 4.22Å; E393-V418 PolarHBondContact N-O 3.18Å; E393-V418 VanDerWaalsContact N-O 3.1Å; E393-C420 PolarHBondContact O-N 3.41Å
394	A	97.4	Very high	93.6	Very high	5 Å²	5	58 Å²	58	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	145.4	173.4	0	0	0	0	0	110.7	C378 E379 A382 Q399 C420	C378-A394 HydrophobicContact CB-CB 4.09Å; E379-A394 HydrophobicContact CG-CB 4.2Å; A382-A394 HydrophobicContact CB-CB 4.04Å; A394-Q399 PolarHBondContact O-NE2 2.84Å; A394-Q399 PolarHBondContact O-OE1 3.05Å; A394-C420 CarbonylContact C-O 3.56Å; A394-C420 VanDerWaalsContact CA-O 3.29Å; A394-C420 WeakPolarHBondContact CA-O 3.48Å
395	Y	94.6	Very high	93	Very high	15 Å²	15	59 Å²	59	6%	0.059	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.6	173	-168.4	-72	0	0	0	111.7	R404 V407 Q408 C420 A421 T422 F425	Y395-R404 HydrophobicContact CE2-CB 3.81Å; Y395-R404 HydrophobicContact CE2-CG 4.28Å; Y395-R404 WeakPolarHBondContact CE2-O 3.45Å; Y395-V407 HydrophobicContact CD2-CB 4.46Å; Y395-V407 HydrophobicContact CD2-CG1 4.17Å; Y395-Q408 HydrophobicContact CE2-CB 4.26Å; Y395-C420 PolarHBondContact N-O 2.98Å; Y395-A421 VanDerWaalsContact O-CA 3.25Å; Y395-A421 WeakPolarHBondContact O-CA 3.41Å; Y395-T422 PolarHBondContact O-N 3.48Å; Y395-F425 HydrophobicContact CD1-CB 3.58Å; Y395-F425 AromaticContact CD1-CD2 3.46Å; Y395-F425 HydrophobicContact CD1-CD2 3.46Å; Y395-F425 VanDerWaalsContact CD1-CD2 3.46Å; Y395-F425 AromaticContact CD1-CG 3.93Å; Y395-F425 HydrophobicContact CD1-CG 3.93Å; Y395-F425 AromaticContact CD2-CD2 3.51Å; Y395-F425 HydrophobicContact CD2-CD2 3.51Å; Y395-F425 AromaticContact CD2-CE2 3.82Å; Y395-F425 HydrophobicContact CD2-CE2 3.82Å; Y395-F425 HydrophobicContact CE1-CB 4.03Å; Y395-F425 AromaticContact CE1-CD2 3.61Å; Y395-F425 HydrophobicContact CE1-CD2 3.61Å; Y395-F425 HydrophobicContact CE1-CG 4.32Å; Y395-F425 AromaticContact CE2-CD2 3.64Å; Y395-F425 HydrophobicContact CE2-CD2 3.64Å; Y395-F425 AromaticContact CE2-CE2 3.88Å; Y395-F425 HydrophobicContact CE2-CE2 3.88Å; Y395-F425 HydrophobicContact CG-CB 4.12Å; Y395-F425 AromaticContact CG-CD2 3.41Å; Y395-F425 HydrophobicContact CG-CD2 3.41Å; Y395-F425 VanDerWaalsContact CG-CD2 3.41Å; Y395-F425 HydrophobicContact CG-CE2 4.15Å; Y395-F425 HydrophobicContact CG-CG 4.05Å; Y395-F425 AromaticContact CZ-CD2 3.68Å
396	H	93.2	Very high	92.6	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.019	36%	0.362	C	S	.	.			trans	-158.3	161.7	177.3	49.4	92.9	0	0	0	111.7	R375 E379 G398 Q399 T422	R375-H396 HydrophobicContact CB-CB 4.31Å; R375-H396 HydrophobicContact CG-CB 3.96Å; E379-H396 IonicContact OE1-CE1 3.83Å; E379-H396 PolarHBondContact OE1-CE1 3.09Å; E379-H396 VanDerWaalsContact OE1-CE1 3.24Å; E379-H396 IonicContact OE1-NE2 3.47Å; E379-H396 PolarHBondContact OE1-NE2 2.68Å; H396-G398 PolarHBondContact ND1-N 3.41Å; H396-G398 PolarHBondContact O-N 3.23Å; H396-Q399 PolarHBondContact NE2-NE2 2.92Å; H396-Q399 PolarHBondContact O-N 3.06Å; H396-T422 HydrophobicContact CB-CG2 4.1Å
397	A	86.8	Confident	92.4	Very high	54 Å²	54	62.3 Å²	62.3	45%	0.446	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-6.6	179.8	0	0	0	0	0	115	Q399 A424	A397-Q399 VanDerWaalsContact C-N 3.34Å; A397-A424 HydrophobicContact CB-CB 4.31Å
398	G	88.9	Confident	92	Very high	43 Å²	43	59.9 Å²	59.9	44%	0.443	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.1	173.1	0	0	0	0	0	114.1	H396	H396-G398 PolarHBondContact ND1-N 3.41Å; H396-G398 PolarHBondContact O-N 3.23Å
399	Q	89.6	Confident	91.6	Very high	19 Å²	19	62.9 Å²	62.9	9%	0.089	34%	0.335	C	S	.	.	S	Bend	trans	-86.8	146.6	178.9	-62.4	179.5	-11.2	0	0	111.2	A394 H396 A397 R404	A394-Q399 PolarHBondContact O-NE2 2.84Å; A394-Q399 PolarHBondContact O-OE1 3.05Å; H396-Q399 PolarHBondContact NE2-NE2 2.92Å; H396-Q399 PolarHBondContact O-N 3.06Å; A397-Q399 VanDerWaalsContact C-N 3.34Å; Q399-R404 HydrophobicContact CB-CG 3.76Å; Q399-R404 PolarHBondContact O-NE 3.44Å
400	A	89.9	Confident	91.5	Very high	72 Å²	72	54.9 Å²	54.9	60%	0.595	30%	0.302	S	S	*	.			trans	-58.3	143.2	173.2	0	0	0	0	0	111.8	G402 R403 R404	A400-G402 VanDerWaalsContact C-N 3.32Å; A400-G402 PolarHBondContact O-N 3.49Å; A400-R403 WeakPolarHBondContact O-CA 3.39Å; A400-R403 WeakPolarHBondContact O-CB 3.1Å; A400-R403 PolarHBondContact O-N 3.47Å; A400-R404 PolarHBondContact O-N 3.01Å
401	D	82.6	Confident	91.4	Very high	108 Å²	108	54.5 Å²	54.5	58%	0.578	30%	0.3	S	S	*	.	H	α-helix	trans	-53.4	-46	-174.9	-66.5	6.3	0	0	0	112.4	R403 R404 S405	D401-R403 VanDerWaalsContact C-N 3.28Å; D401-R403 PolarHBondContact O-N 3.44Å; D401-R404 PolarHBondContact O-N 3.23Å; D401-R404 VanDerWaalsContact O-N 3.13Å; D401-R404 IonicContact OD1-CZ 2.81Å; D401-R404 IonicContact OD1-NE 2.91Å; D401-R404 IonicContact OD1-NH2 3.65Å; D401-R404 PolarHBondContact OD1-NH2 3.22Å; D401-R404 IonicContact OD2-NH2 3.62Å; D401-S405 PolarHBondContact O-N 2.94Å; D401-S405 PolarHBondContact O-OG 3.06Å
402	G	86.9	Confident	91	Very high	57 Å²	57	51.1 Å²	51.1	59%	0.588	29%	0.288	S	S	*	.	H	α-helix	trans	-59.6	-35.5	176.9	0	0	0	0	0	113.7	A400 K406	A400-G402 VanDerWaalsContact C-N 3.32Å; A400-G402 PolarHBondContact O-N 3.49Å; G402-K406 WeakPolarHBondContact O-CB 3.49Å; G402-K406 PolarHBondContact O-N 3.24Å; G402-K406 VanDerWaalsContact O-N 3.09Å
403	R	91	Very high	90.7	Very high	137 Å²	137	56.7 Å²	56.7	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-70.3	-44.3	174.9	-176.7	173.6	-177.9	167.6	1.4	110.9	E393 A400 D401 S405 K406 V407	E393-R403 IonicContact OE2-NH2 3.04Å; A400-R403 WeakPolarHBondContact O-CA 3.39Å; A400-R403 WeakPolarHBondContact O-CB 3.1Å; A400-R403 PolarHBondContact O-N 3.47Å; D401-R403 VanDerWaalsContact C-N 3.28Å; D401-R403 PolarHBondContact O-N 3.44Å; R403-S405 PolarHBondContact O-N 2.92Å; R403-K406 PolarHBondContact O-N 2.97Å; R403-V407 HydrophobicContact CG-CG2 4.36Å; R403-V407 WeakPolarHBondContact O-CG2 3.3Å; R403-V407 PolarHBondContact O-N 3.2Å
404	R	87.9	Confident	90.5	Very high	63 Å²	63	55.7 Å²	55.7	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-48.3	177.4	-66.9	-169.1	-69.3	156.7	-4.8	111.2	Y395 Q399 A400 D401 K406 V407 Q408	Y395-R404 HydrophobicContact CE2-CB 3.81Å; Y395-R404 HydrophobicContact CE2-CG 4.28Å; Y395-R404 WeakPolarHBondContact CE2-O 3.45Å; Q399-R404 HydrophobicContact CB-CG 3.76Å; Q399-R404 PolarHBondContact O-NE 3.44Å; A400-R404 PolarHBondContact O-N 3.01Å; D401-R404 PolarHBondContact O-N 3.23Å; D401-R404 VanDerWaalsContact O-N 3.13Å; D401-R404 IonicContact OD1-CZ 2.81Å; D401-R404 IonicContact OD1-NE 2.91Å; D401-R404 IonicContact OD1-NH2 3.65Å; D401-R404 PolarHBondContact OD1-NH2 3.22Å; D401-R404 IonicContact OD2-NH2 3.62Å; R404-K406 VanDerWaalsContact C-N 3.29Å; R404-K406 PolarHBondContact O-N 3.49Å; R404-V407 PolarHBondContact O-N 2.92Å; R404-Q408 WeakPolarHBondContact O-CB 3.1Å; R404-Q408 PolarHBondContact O-N 3.49Å
405	S	84.6	Confident	90.4	Very high	73 Å²	73	61.2 Å²	61.2	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-37.4	177	-56.8	0	0	0	0	112.1	D401 R403 R409	D401-S405 PolarHBondContact O-N 2.94Å; D401-S405 PolarHBondContact O-OG 3.06Å; R403-S405 PolarHBondContact O-N 2.92Å; S405-R409 WeakPolarHBondContact O-CB 3.32Å; S405-R409 PolarHBondContact O-N 3.34Å; S405-R409 VanDerWaalsContact O-N 3.07Å
406	K	91.5	Very high	90.5	Very high	118 Å²	118	61.3 Å²	61.3	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-51.5	175.5	-179	-179.2	178	-173.3	0	112.6	G402 R403 R404 Q408 R409 D410	G402-K406 WeakPolarHBondContact O-CB 3.49Å; G402-K406 PolarHBondContact O-N 3.24Å; G402-K406 VanDerWaalsContact O-N 3.09Å; R403-K406 PolarHBondContact O-N 2.97Å; R404-K406 VanDerWaalsContact C-N 3.29Å; R404-K406 PolarHBondContact O-N 3.49Å; K406-Q408 VanDerWaalsContact C-N 3.33Å; K406-Q408 PolarHBondContact O-N 3.37Å; K406-R409 VanDerWaalsContact CA-NH2 3.33Å; K406-R409 PolarHBondContact O-N 3.13Å; K406-D410 WeakPolarHBondContact CG-OD2 3.42Å; K406-D410 WeakPolarHBondContact O-CB 3.48Å; K406-D410 PolarHBondContact O-N 3.02Å
407	V	93	Very high	90.7	Very high	8 Å²	8	62.7 Å²	62.7	5%	0.048	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-45.2	180	170.5	0	0	0	0	110.8	E393 Y395 R403 R404 R409 D410 W411 I416 I419	E393-V407 HydrophobicContact CB-CG1 3.82Å; E393-V407 HydrophobicContact CB-CG2 4.33Å; E393-V407 HydrophobicContact CG-CG2 4.43Å; Y395-V407 HydrophobicContact CD2-CB 4.46Å; Y395-V407 HydrophobicContact CD2-CG1 4.17Å; R403-V407 HydrophobicContact CG-CG2 4.36Å; R403-V407 WeakPolarHBondContact O-CG2 3.3Å; R403-V407 PolarHBondContact O-N 3.2Å; R404-V407 PolarHBondContact O-N 2.92Å; V407-R409 PolarHBondContact O-N 3.08Å; V407-D410 PolarHBondContact O-N 3.47Å; V407-W411 WeakPolarHBondContact O-CB 3.42Å; V407-W411 PolarHBondContact O-N 3.28Å; V407-I416 HydrophobicContact CG1-CD1 4.18Å; V407-I419 HydrophobicContact CG1-CD1 3.88Å; V407-I419 HydrophobicContact CG1-CG1 4.18Å
408	Q	89.3	Confident	91.2	Very high	27 Å²	27	60.1 Å²	60.1	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-49.5	177.5	179.2	173.8	-25.8	0	0	111.6	Y395 R404 K406 W411 L412	Y395-Q408 HydrophobicContact CE2-CB 4.26Å; R404-Q408 WeakPolarHBondContact O-CB 3.1Å; R404-Q408 PolarHBondContact O-N 3.49Å; K406-Q408 VanDerWaalsContact C-N 3.33Å; K406-Q408 PolarHBondContact O-N 3.37Å; Q408-W411 PolarHBondContact O-N 2.89Å; Q408-L412 HydrophobicContact CG-CD1 4.07Å; Q408-L412 VanDerWaalsContact O-CG 3.28Å; Q408-L412 WeakPolarHBondContact O-CG 2.84Å; Q408-L412 PolarHBondContact O-N 3.3Å
409	R	89.3	Confident	91.6	Very high	108 Å²	108	58 Å²	58	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-44.8	177.7	172	176.8	36.9	55.9	-3	112.3	S405 K406 V407 W411 L412 M413	S405-R409 WeakPolarHBondContact O-CB 3.32Å; S405-R409 PolarHBondContact O-N 3.34Å; S405-R409 VanDerWaalsContact O-N 3.07Å; K406-R409 VanDerWaalsContact CA-NH2 3.33Å; K406-R409 PolarHBondContact O-N 3.13Å; V407-R409 PolarHBondContact O-N 3.08Å; R409-W411 VanDerWaalsContact C-N 3.29Å; R409-W411 PolarHBondContact O-N 3.19Å; R409-L412 PolarHBondContact O-N 2.88Å; R409-M413 HydrophobicContact CG-CE 3.82Å; R409-M413 HydrophobicContact CG-SD 3.94Å; R409-M413 WeakPolarHBondContact O-CB 3.4Å; R409-M413 WeakPolarHBondContact O-CG 3.31Å; R409-M413 PolarHBondContact O-N 2.9Å
410	D	95	Very high	92	Very high	22 Å²	22	57.1 Å²	57.1	12%	0.118	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-32.2	-178.5	-72.2	-22.5	0	0	0	111.8	K406 V407 G414 K415 I416	K406-D410 WeakPolarHBondContact CG-OD2 3.42Å; K406-D410 WeakPolarHBondContact O-CB 3.48Å; K406-D410 PolarHBondContact O-N 3.02Å; V407-D410 PolarHBondContact O-N 3.47Å; D410-G414 PolarHBondContact O-N 2.82Å; D410-K415 HydrophobicContact CB-CB 4.23Å; D410-K415 HydrophobicContact CB-CD 4.35Å; D410-K415 WeakPolarHBondContact O-CA 3.49Å; D410-K415 WeakPolarHBondContact O-CB 3.48Å; D410-K415 PolarHBondContact O-N 2.84Å; D410-K415 IonicContact OD1-NZ 3.64Å; D410-I416 HydrophobicContact CB-CD1 3.66Å; D410-I416 HydrophobicContact CB-CG1 4.13Å; D410-I416 PolarHBondContact O-N 3.42Å
411	W	94.5	Very high	92.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-73.2	-41.1	171.8	-178.7	79.3	0	0	0	113.1	G368 I369 V407 Q408 R409 M413 G414 I416 Q417 I419 F425 I429 K431 V434	G368-W411 PolarHBondContact O-NE1 3.11Å; I369-W411 HydrophobicContact CD1-CH2 4.05Å; I369-W411 HydrophobicContact CD1-CZ2 4.24Å; I369-W411 HydrophobicContact CG1-CH2 4.08Å; I369-W411 HydrophobicContact CG1-CZ2 3.74Å; V407-W411 WeakPolarHBondContact O-CB 3.42Å; V407-W411 PolarHBondContact O-N 3.28Å; Q408-W411 PolarHBondContact O-N 2.89Å; R409-W411 VanDerWaalsContact C-N 3.29Å; R409-W411 PolarHBondContact O-N 3.19Å; W411-M413 PolarHBondContact O-N 3.43Å; W411-G414 PolarHBondContact O-N 3.48Å; W411-I416 HydrophobicContact CB-CB 4.13Å; W411-I416 VanDerWaalsContact CD1-O 3.29Å; W411-Q417 PolarHBondContact NE1-O 3.29Å; W411-I419 HydrophobicContact CB-CD1 3.39Å; W411-I419 HydrophobicContact CB-CG1 3.97Å; W411-I419 HydrophobicContact CD2-CD1 3.8Å; W411-I419 HydrophobicContact CD2-CG1 4.31Å; W411-I419 HydrophobicContact CE3-CD1 4.27Å; W411-I419 HydrophobicContact CG-CD1 3.42Å; W411-I419 VanDerWaalsContact CG-CD1 3.42Å; W411-I419 HydrophobicContact CG-CG1 3.73Å; W411-F425 HydrophobicContact CD2-CZ 4.43Å; W411-F425 AromaticContact CE3-CZ 3.97Å; W411-F425 HydrophobicContact CE3-CZ 3.97Å; W411-F425 HydrophobicContact CH2-CE1 4.44Å; W411-F425 HydrophobicContact CZ3-CE1 4.33Å; W411-F425 HydrophobicContact CZ3-CZ 4.09Å; W411-I429 HydrophobicContact CH2-CG2 4.17Å; W411-I429 HydrophobicContact CZ3-CG2 3.64Å; W411-K431 HydrophobicContact CD2-CD 4.21Å; W411-K431 HydrophobicContact CE3-CD 3.91Å; W411-K431 HydrophobicContact CH2-CB 3.82Å; W411-K431 HydrophobicContact CH2-CD 3.69Å; W411-K431 HydrophobicContact CH2-CG 4.28Å; W411-K431 HydrophobicContact CZ2-CD 3.98Å; W411-K431 HydrophobicContact CZ3-CB 3.66Å; W411-K431 HydrophobicContact CZ3-CD 3.64Å; W411-K431 HydrophobicContact CZ3-CG 4.26Å; W411-V434 HydrophobicContact CH2-CG2 3.59Å; W411-V434 HydrophobicContact CZ2-CG2 3.93Å
412	L	90.4	Very high	92.7	Very high	70 Å²	70	49.5 Å²	49.5	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-57.5	-41.3	173.9	-74.1	169.2	0	0	0	111.3	Q408 R409 G414 K431	Q408-L412 HydrophobicContact CG-CD1 4.07Å; Q408-L412 VanDerWaalsContact O-CG 3.28Å; Q408-L412 WeakPolarHBondContact O-CG 2.84Å; Q408-L412 PolarHBondContact O-N 3.3Å; R409-L412 PolarHBondContact O-N 2.88Å; L412-G414 PolarHBondContact O-N 3.28Å; L412-K431 HydrophobicContact CD2-CB 3.95Å; L412-K431 PolarHBondContact O-NZ 3Å
413	M	91.3	Very high	92.6	Very high	121 Å²	121	50.6 Å²	50.6	60%	0.596	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	0.7	176.6	-67.7	178.1	172.8	0	0	114.6	R409 W411 K415	R409-M413 HydrophobicContact CG-CE 3.82Å; R409-M413 HydrophobicContact CG-SD 3.94Å; R409-M413 WeakPolarHBondContact O-CB 3.4Å; R409-M413 WeakPolarHBondContact O-CG 3.31Å; R409-M413 PolarHBondContact O-N 2.9Å; W411-M413 PolarHBondContact O-N 3.43Å; M413-K415 VanDerWaalsContact C-N 3.28Å; M413-K415 HydrophobicContact CB-CG 4.4Å; M413-K415 PolarHBondContact O-N 3.45Å
414	G	92.7	Very high	91.9	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	8.9	179.5	0	0	0	0	0	115.5	D410 W411 L412 I416	D410-G414 PolarHBondContact O-N 2.82Å; W411-G414 PolarHBondContact O-N 3.48Å; L412-G414 PolarHBondContact O-N 3.28Å; G414-I416 VanDerWaalsContact C-N 3.33Å
415	K	95.6	Very high	91.4	Very high	122 Å²	122	43.2 Å²	43.2	53%	0.53	23%	0.229	S	C	.	.	S	Bend	trans	-70.5	-33.9	174.7	-60.4	-179.9	-175.7	171.2	0	111.6	K391 D410 M413	K391-K415 VanDerWaalsContact CD-O 3.28Å; K391-K415 WeakPolarHBondContact CD-O 3.31Å; D410-K415 HydrophobicContact CB-CB 4.23Å; D410-K415 HydrophobicContact CB-CD 4.35Å; D410-K415 WeakPolarHBondContact O-CA 3.49Å; D410-K415 WeakPolarHBondContact O-CB 3.48Å; D410-K415 PolarHBondContact O-N 2.84Å; D410-K415 IonicContact OD1-NZ 3.64Å; M413-K415 VanDerWaalsContact C-N 3.28Å; M413-K415 HydrophobicContact CB-CG 4.4Å; M413-K415 PolarHBondContact O-N 3.45Å
416	I	96.6	Very high	90.5	Very high	17 Å²	17	40 Å²	40	9%	0.087	21%	0.207	C	C	.	.			trans	-104.9	131.7	173.2	-61.8	164.1	0	0	0	107.7	E393 V407 D410 W411 G414 V418 I419	E393-I416 HydrophobicContact CB-CD1 4.06Å; E393-I416 HydrophobicContact CB-CG2 4.35Å; E393-I416 HydrophobicContact CG-CD1 3.66Å; E393-I416 HydrophobicContact CG-CG1 4.22Å; V407-I416 HydrophobicContact CG1-CD1 4.18Å; D410-I416 HydrophobicContact CB-CD1 3.66Å; D410-I416 HydrophobicContact CB-CG1 4.13Å; D410-I416 PolarHBondContact O-N 3.42Å; W411-I416 HydrophobicContact CB-CB 4.13Å; W411-I416 VanDerWaalsContact CD1-O 3.29Å; G414-I416 VanDerWaalsContact C-N 3.33Å; I416-V418 VanDerWaalsContact CG2-O 3.26Å; I416-V418 WeakPolarHBondContact CG2-O 3.22Å; I416-I419 HydrophobicContact CG2-CG1 4.44Å
417	Q	97.1	Very high	89.3	Confident	32 Å²	32	36 Å²	36	15%	0.15	19%	0.191	C	C	.	.	S	Bend	trans	-80.6	-46.7	178.2	-172.8	-172.4	-2.5	0	0	110.8	Y363 S366 S367 G368 K391 W411	Y363-Q417 PolarHBondContact O-NE2 3.13Å; S366-Q417 WeakPolarHBondContact O-CG 3.44Å; S366-Q417 PolarHBondContact O-NE2 3.49Å; S367-Q417 WeakPolarHBondContact CA-O 3.39Å; G368-Q417 PolarHBondContact N-O 2.7Å; K391-Q417 HydrophobicContact CB-CB 4.24Å; K391-Q417 WeakPolarHBondContact O-CB 3.28Å; K391-Q417 PolarHBondContact O-N 3.07Å; W411-Q417 PolarHBondContact NE1-O 3.29Å
418	V	97.9	Very high	88	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.3	-170.2	-169.7	0	0	0	0	111.2	L359 G368 I370 L385 I390 K391 A392 E393 I416 F436	L359-V418 HydrophobicContact CD1-CG2 4.31Å; L359-V418 HydrophobicContact CD2-CG2 4Å; G368-V418 WeakPolarHBondContact O-CA 3.27Å; I370-V418 HydrophobicContact CD1-CG1 3.74Å; I370-V418 HydrophobicContact CG1-CG1 3.68Å; L385-V418 HydrophobicContact CD1-CB 4.5Å; L385-V418 HydrophobicContact CD1-CG1 4.18Å; I390-V418 HydrophobicContact CG2-CG2 3.96Å; K391-V418 PolarHBondContact O-N 3.32Å; A392-V418 VanDerWaalsContact CA-O 3.25Å; A392-V418 WeakPolarHBondContact CA-O 3.19Å; A392-V418 HydrophobicContact CB-CB 4.14Å; E393-V418 PolarHBondContact N-O 3.18Å; E393-V418 VanDerWaalsContact N-O 3.1Å; I416-V418 VanDerWaalsContact CG2-O 3.26Å; I416-V418 WeakPolarHBondContact CG2-O 3.22Å; V418-F436 HydrophobicContact CG1-CE2 4.49Å; V418-F436 HydrophobicContact CG2-CE2 4.49Å; V418-F436 HydrophobicContact CG2-CZ 3.95Å
419	I	96.6	Very high	87.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124	165.4	-80.2	-179	0	0	0	109.7	G368 I369 I370 V407 W411 I416 A421 F425	G368-I419 PolarHBondContact O-N 3.32Å; I369-I419 WeakPolarHBondContact CA-O 3.5Å; I370-I419 PolarHBondContact N-O 3.07Å; V407-I419 HydrophobicContact CG1-CD1 3.88Å; V407-I419 HydrophobicContact CG1-CG1 4.18Å; W411-I419 HydrophobicContact CB-CD1 3.39Å; W411-I419 HydrophobicContact CB-CG1 3.97Å; W411-I419 HydrophobicContact CD2-CD1 3.8Å; W411-I419 HydrophobicContact CD2-CG1 4.31Å; W411-I419 HydrophobicContact CE3-CD1 4.27Å; W411-I419 HydrophobicContact CG-CD1 3.42Å; W411-I419 VanDerWaalsContact CG-CD1 3.42Å; W411-I419 HydrophobicContact CG-CG1 3.73Å; I416-I419 HydrophobicContact CG2-CG1 4.44Å; I419-A421 HydrophobicContact CG2-CB 3.73Å; I419-F425 HydrophobicContact CB-CD1 4.42Å; I419-F425 HydrophobicContact CB-CE1 3.98Å; I419-F425 HydrophobicContact CB-CZ 4.26Å; I419-F425 HydrophobicContact CD1-CD2 4.48Å; I419-F425 HydrophobicContact CD1-CE1 3.86Å; I419-F425 HydrophobicContact CD1-CE2 3.59Å; I419-F425 HydrophobicContact CD1-CZ 3.23Å; I419-F425 HydrophobicContact CG1-CZ 4.3Å; I419-F425 HydrophobicContact CG2-CD1 3.57Å; I419-F425 HydrophobicContact CG2-CD2 4.19Å; I419-F425 HydrophobicContact CG2-CE1 3.59Å; I419-F425 HydrophobicContact CG2-CE2 4.23Å; I419-F425 HydrophobicContact CG2-CG 3.89Å; I419-F425 HydrophobicContact CG2-CZ 3.96Å
420	C	97.8	Very high	87	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.3	173.8	-56.1	0	0	0	0	108.6	I370 C378 V381 A382 E393 A394 Y395	I370-C420 CarbonylContact O-C 3.56Å; I370-C420 WeakPolarHBondContact O-CA 3.46Å; C378-C420 WeakPolarHBondContact CB-O 3.3Å; V381-C420 HydrophobicContact CG1-CB 4.33Å; A382-C420 HydrophobicContact CB-CB 4.22Å; E393-C420 PolarHBondContact O-N 3.41Å; A394-C420 CarbonylContact C-O 3.56Å; A394-C420 VanDerWaalsContact CA-O 3.29Å; A394-C420 WeakPolarHBondContact CA-O 3.48Å; Y395-C420 PolarHBondContact N-O 2.98Å
421	A	95.5	Very high	86.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.2	-164.8	0	0	0	0	0	116	I370 Y371 C372 Y395 I419 F425	I370-A421 PolarHBondContact O-N 2.91Å; Y371-A421 CarbonylContact C-O 3.28Å; Y371-A421 VanDerWaalsContact CA-O 3.27Å; Y371-A421 WeakPolarHBondContact CA-O 3.47Å; C372-A421 PolarHBondContact N-O 2.87Å; Y395-A421 VanDerWaalsContact O-CA 3.25Å; Y395-A421 WeakPolarHBondContact O-CA 3.41Å; I419-A421 HydrophobicContact CG2-CB 3.73Å; A421-F425 HydrophobicContact CB-CB 3.2Å; A421-F425 HydrophobicContact CB-CD1 4.01Å; A421-F425 HydrophobicContact CB-CG 3.81Å
422	T	92.4	Very high	86.5	Confident	20 Å²	20	37.6 Å²	37.6	12%	0.123	22%	0.215	C	C	.	.			trans	-79.8	174.7	159.3	58.4	0	0	0	0	109.7	C378 Y395 H396 A424 F425	C378-T422 PolarHBondContact SG-N 3.34Å; Y395-T422 PolarHBondContact O-N 3.48Å; H396-T422 HydrophobicContact CB-CG2 4.1Å; T422-A424 PolarHBondContact O-N 3.49Å; T422-A424 WeakPolarHBondContact OG1-CB 3.27Å; T422-F425 PolarHBondContact O-N 3.42Å
423	I	85.3	Confident	86.8	Confident	80 Å²	80	37 Å²	37	41%	0.41	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-21.8	175.4	-50.3	174.7	0	0	0	112.2	F425 G426 K444	I423-F425 PolarHBondContact O-N 3.49Å; I423-F425 VanDerWaalsContact O-N 3.12Å; I423-G426 PolarHBondContact O-N 2.96Å; I423-K444 HydrophobicContact CD1-CD 3.85Å; I423-K444 HydrophobicContact CD1-CG 4.18Å
424	A	75.9	Confident	87	Confident	44 Å²	44	31.3 Å²	31.3	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.7	172.4	0	0	0	0	0	113.6	A397 T422 G426	A397-A424 HydrophobicContact CB-CB 4.31Å; T422-A424 PolarHBondContact O-N 3.49Å; T422-A424 WeakPolarHBondContact OG1-CB 3.27Å; A424-G426 PolarHBondContact O-N 2.88Å; A424-G426 VanDerWaalsContact O-N 3.1Å
425	F	76.5	Confident	87.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-85.7	69.9	170.2	-163.3	-111.5	0	0	0	109.7	I369 Y371 Y395 W411 I419 A421 T422 I423 I429	I369-F425 HydrophobicContact CD1-CD1 4.3Å; I369-F425 HydrophobicContact CD1-CE1 4.01Å; I369-F425 HydrophobicContact CG1-CE1 4.2Å; I369-F425 HydrophobicContact CG2-CD1 4.21Å; Y371-F425 WeakPolarHBondContact CE1-O 3.4Å; Y371-F425 PolarHBondContact OH-O 2.91Å; Y395-F425 HydrophobicContact CD1-CB 3.58Å; Y395-F425 AromaticContact CD1-CD2 3.46Å; Y395-F425 HydrophobicContact CD1-CD2 3.46Å; Y395-F425 VanDerWaalsContact CD1-CD2 3.46Å; Y395-F425 AromaticContact CD1-CG 3.93Å; Y395-F425 HydrophobicContact CD1-CG 3.93Å; Y395-F425 AromaticContact CD2-CD2 3.51Å; Y395-F425 HydrophobicContact CD2-CD2 3.51Å; Y395-F425 AromaticContact CD2-CE2 3.82Å; Y395-F425 HydrophobicContact CD2-CE2 3.82Å; Y395-F425 HydrophobicContact CE1-CB 4.03Å; Y395-F425 AromaticContact CE1-CD2 3.61Å; Y395-F425 HydrophobicContact CE1-CD2 3.61Å; Y395-F425 HydrophobicContact CE1-CG 4.32Å; Y395-F425 AromaticContact CE2-CD2 3.64Å; Y395-F425 HydrophobicContact CE2-CD2 3.64Å; Y395-F425 AromaticContact CE2-CE2 3.88Å; Y395-F425 HydrophobicContact CE2-CE2 3.88Å; Y395-F425 HydrophobicContact CG-CB 4.12Å; Y395-F425 AromaticContact CG-CD2 3.41Å; Y395-F425 HydrophobicContact CG-CD2 3.41Å; Y395-F425 VanDerWaalsContact CG-CD2 3.41Å; Y395-F425 HydrophobicContact CG-CE2 4.15Å; Y395-F425 HydrophobicContact CG-CG 4.05Å; Y395-F425 AromaticContact CZ-CD2 3.68Å; W411-F425 HydrophobicContact CD2-CZ 4.43Å; W411-F425 AromaticContact CE3-CZ 3.97Å; W411-F425 HydrophobicContact CE3-CZ 3.97Å; W411-F425 HydrophobicContact CH2-CE1 4.44Å; W411-F425 HydrophobicContact CZ3-CE1 4.33Å; W411-F425 HydrophobicContact CZ3-CZ 4.09Å; I419-F425 HydrophobicContact CB-CD1 4.42Å; I419-F425 HydrophobicContact CB-CE1 3.98Å; I419-F425 HydrophobicContact CB-CZ 4.26Å; I419-F425 HydrophobicContact CD1-CD2 4.48Å; I419-F425 HydrophobicContact CD1-CE1 3.86Å; I419-F425 HydrophobicContact CD1-CE2 3.59Å; I419-F425 HydrophobicContact CD1-CZ 3.23Å; I419-F425 HydrophobicContact CG1-CZ 4.3Å; I419-F425 HydrophobicContact CG2-CD1 3.57Å; I419-F425 HydrophobicContact CG2-CD2 4.19Å; I419-F425 HydrophobicContact CG2-CE1 3.59Å; I419-F425 HydrophobicContact CG2-CE2 4.23Å; I419-F425 HydrophobicContact CG2-CG 3.89Å; I419-F425 HydrophobicContact CG2-CZ 3.96Å; A421-F425 HydrophobicContact CB-CB 3.2Å; A421-F425 HydrophobicContact CB-CD1 4.01Å; A421-F425 HydrophobicContact CB-CG 3.81Å; T422-F425 PolarHBondContact O-N 3.42Å; I423-F425 PolarHBondContact O-N 3.49Å; I423-F425 VanDerWaalsContact O-N 3.12Å; F425-I429 VanDerWaalsContact C-CD1 3.49Å; F425-I429 HydrophobicContact CB-CD1 4.28Å; F425-I429 HydrophobicContact CD1-CD1 3.41Å; F425-I429 VanDerWaalsContact CD1-CD1 3.41Å; F425-I429 HydrophobicContact CD2-CD1 3.52Å; F425-I429 HydrophobicContact CD2-CG1 4.47Å; F425-I429 HydrophobicContact CE1-CD1 3.41Å; F425-I429 VanDerWaalsContact CE1-CD1 3.41Å; F425-I429 HydrophobicContact CE1-CG1 4.4Å; F425-I429 HydrophobicContact CE2-CD1 3.51Å; F425-I429 HydrophobicContact CE2-CG1 4.11Å; F425-I429 HydrophobicContact CG-CD1 3.46Å; F425-I429 VanDerWaalsContact CG-CD1 3.46Å; F425-I429 HydrophobicContact CZ-CD1 3.43Å; F425-I429 VanDerWaalsContact CZ-CD1 3.43Å; F425-I429 HydrophobicContact CZ-CG1 4.04Å
426	G	66.8	Low	87.4	Confident	5 Å²	5	25.5 Å²	25.5	5%	0.052	15%	0.145	C	C	.	.			trans	-134.5	-100.4	-170.7	0	0	0	0	0	111.3	I423 A424 G428 I429 R455	I423-G426 PolarHBondContact O-N 2.96Å; A424-G426 PolarHBondContact O-N 2.88Å; A424-G426 VanDerWaalsContact O-N 3.1Å; G426-G428 PolarHBondContact O-N 3.46Å; G426-I429 PolarHBondContact O-N 3.17Å; G426-R455 VanDerWaalsContact CA-CZ 3.44Å; G426-R455 PolarHBondContact O-NH1 2.93Å; G426-R455 PolarHBondContact O-NH2 3.25Å
427	M	66.5	Low	87.4	Confident	34 Å²	34	24.7 Å²	24.7	17%	0.167	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	133.9	-168	-20.4	173	-127	0	0	111	P193 L194 D284	P193-M427 HydrophobicContact CG-SD 3.88Å; L194-M427 HydrophobicContact CD1-CB 3.48Å; L194-M427 VanDerWaalsContact CD1-CB 3.48Å; L194-M427 HydrophobicContact CD1-CE 3.61Å; L194-M427 HydrophobicContact CD1-CG 3.7Å; L194-M427 HydrophobicContact CD1-SD 3.83Å; L194-M427 HydrophobicContact CD2-CE 3.6Å; L194-M427 HydrophobicContact CD2-SD 4.46Å; L194-M427 HydrophobicContact CG-CB 4.17Å; L194-M427 HydrophobicContact CG-CE 3.52Å; L194-M427 HydrophobicContact CG-CG 4.29Å; L194-M427 HydrophobicContact CG-SD 3.75Å; D284-M427 WeakPolarHBondContact OD2-CE 3.35Å
428	G	64.8	Low	87.5	Confident	14 Å²	14	23.2 Å²	23.2	14%	0.144	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	-35.1	-173.8	0	0	0	0	0	114.8	D200 G426 D430	D200-G428 VanDerWaalsContact OD2-O 3.13Å; G426-G428 PolarHBondContact O-N 3.46Å; G428-D430 PolarHBondContact O-N 3.41Å
429	I	77.2	Confident	87.5	Confident	10 Å²	10	23.3 Å²	23.3	5%	0.051	13%	0.134	C	C	.	.			trans	-70.9	123.5	-172.5	-58.6	152.4	0	0	0	111.7	W411 F425 G426 R458	W411-I429 HydrophobicContact CH2-CG2 4.17Å; W411-I429 HydrophobicContact CZ3-CG2 3.64Å; F425-I429 VanDerWaalsContact C-CD1 3.49Å; F425-I429 HydrophobicContact CB-CD1 4.28Å; F425-I429 HydrophobicContact CD1-CD1 3.41Å; F425-I429 VanDerWaalsContact CD1-CD1 3.41Å; F425-I429 HydrophobicContact CD2-CD1 3.52Å; F425-I429 HydrophobicContact CD2-CG1 4.47Å; F425-I429 HydrophobicContact CE1-CD1 3.41Å; F425-I429 VanDerWaalsContact CE1-CD1 3.41Å; F425-I429 HydrophobicContact CE1-CG1 4.4Å; F425-I429 HydrophobicContact CE2-CD1 3.51Å; F425-I429 HydrophobicContact CE2-CG1 4.11Å; F425-I429 HydrophobicContact CG-CD1 3.46Å; F425-I429 VanDerWaalsContact CG-CD1 3.46Å; F425-I429 HydrophobicContact CZ-CD1 3.43Å; F425-I429 VanDerWaalsContact CZ-CD1 3.43Å; F425-I429 HydrophobicContact CZ-CG1 4.04Å; G426-I429 PolarHBondContact O-N 3.17Å; I429-R458 VanDerWaalsContact O-CZ 3.3Å; I429-R458 PolarHBondContact O-NH1 3.3Å; I429-R458 VanDerWaalsContact O-NH1 3.09Å; I429-R458 PolarHBondContact O-NH2 3.41Å
430	D	79.6	Confident	87.5	Confident	93 Å²	93	23.8 Å²	23.8	50%	0.497	14%	0.137	S	C	.	.			trans	-132	66.2	177.1	-165.6	23	0	0	0	112.4	G428 R458	G428-D430 PolarHBondContact O-N 3.41Å; D430-R458 VanDerWaalsContact CG-NH1 3.27Å; D430-R458 WeakPolarHBondContact OD1-CD 3.44Å; D430-R458 IonicContact OD1-CZ 3.06Å; D430-R458 IonicContact OD1-NE 2.66Å; D430-R458 IonicContact OD1-NH1 3.34Å; D430-R458 PolarHBondContact OD1-NH1 2.95Å
431	K	89.7	Confident	87.4	Confident	15 Å²	15	24 Å²	24	7%	0.065	14%	0.138	C	C	.	.			trans	-92.6	120.2	169.1	-175	166.1	174.5	56.5	0	109.2	S367 W411 L412 D433 V434	S367-K431 VanDerWaalsContact CB-CE 3.44Å; S367-K431 WeakPolarHBondContact OG-CE 3.17Å; W411-K431 HydrophobicContact CD2-CD 4.21Å; W411-K431 HydrophobicContact CE3-CD 3.91Å; W411-K431 HydrophobicContact CH2-CB 3.82Å; W411-K431 HydrophobicContact CH2-CD 3.69Å; W411-K431 HydrophobicContact CH2-CG 4.28Å; W411-K431 HydrophobicContact CZ2-CD 3.98Å; W411-K431 HydrophobicContact CZ3-CB 3.66Å; W411-K431 HydrophobicContact CZ3-CD 3.64Å; W411-K431 HydrophobicContact CZ3-CG 4.26Å; L412-K431 HydrophobicContact CD2-CB 3.95Å; L412-K431 PolarHBondContact O-NZ 3Å; K431-D433 VanDerWaalsContact C-N 3.33Å; K431-D433 WeakPolarHBondContact CE-OD1 3.49Å; K431-D433 WeakPolarHBondContact CE-OD2 2.93Å; K431-D433 WeakPolarHBondContact CG-OD1 2.8Å; K431-D433 IonicContact NZ-OD1 3.63Å; K431-D433 PolarHBondContact NZ-OD1 3.44Å; K431-D433 IonicContact NZ-OD2 3.71Å; K431-D433 PolarHBondContact NZ-OD2 3.15Å; K431-D433 PolarHBondContact O-N 3.08Å; K431-V434 HydrophobicContact CB-CG2 3.84Å; K431-V434 HydrophobicContact CD-CG2 4.31Å; K431-V434 HydrophobicContact CG-CG2 4.01Å
432	P	90.8	Very high	87.4	Confident	68 Å²	68	24.2 Å²	24.2	44%	0.442	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-34.8	-176	25	-32.8	0	0	0	112.8	V434 R435 R458 D459	P432-V434 PolarHBondContact O-N 2.83Å; P432-R435 PolarHBondContact O-NH2 3.23Å; P432-R458 PolarHBondContact O-N 3.37Å; P432-R458 VanDerWaalsContact O-N 3.08Å; P432-D459 HydrophobicContact CB-CB 4.28Å; P432-D459 VanDerWaalsContact O-CG 3.31Å; P432-D459 PolarHBondContact O-N 3.1Å; P432-D459 VanDerWaalsContact O-N 3.11Å
433	D	95	Very high	87.5	Confident	58 Å²	58	23.6 Å²	23.6	31%	0.31	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	32.2	-163.9	61.2	-45.3	0	0	0	114.7	K431 R435	K431-D433 VanDerWaalsContact C-N 3.33Å; K431-D433 WeakPolarHBondContact CE-OD1 3.49Å; K431-D433 WeakPolarHBondContact CE-OD2 2.93Å; K431-D433 WeakPolarHBondContact CG-OD1 2.8Å; K431-D433 IonicContact NZ-OD1 3.63Å; K431-D433 PolarHBondContact NZ-OD1 3.44Å; K431-D433 IonicContact NZ-OD2 3.71Å; K431-D433 PolarHBondContact NZ-OD2 3.15Å; K431-D433 PolarHBondContact O-N 3.08Å; D433-R435 VanDerWaalsContact CB-NH1 3.33Å; D433-R435 PolarHBondContact O-N 3.03Å; D433-R435 PolarHBondContact O-NH1 3.15Å
434	V	96.5	Very high	87.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	110.6	175.3	-179.6	0	0	0	0	109.8	I369 W411 K431 P432 V437 A456 G457	I369-V434 HydrophobicContact CG1-CG1 4.42Å; W411-V434 HydrophobicContact CH2-CG2 3.59Å; W411-V434 HydrophobicContact CZ2-CG2 3.93Å; K431-V434 HydrophobicContact CB-CG2 3.84Å; K431-V434 HydrophobicContact CD-CG2 4.31Å; K431-V434 HydrophobicContact CG-CG2 4.01Å; P432-V434 PolarHBondContact O-N 2.83Å; V434-V437 HydrophobicContact CG1-CG2 4.05Å; V434-A456 WeakPolarHBondContact O-CA 3.34Å; V434-G457 PolarHBondContact O-N 3.46Å
435	R	97.8	Very high	88.6	Confident	45 Å²	45	21.5 Å²	21.5	17%	0.17	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-23.3	-174.2	-61.9	-66.3	74.7	89.8	3.9	114.7	S367 P432 D433 D459 A463 H464	S367-R435 PolarHBondContact O-N 3.44Å; P432-R435 PolarHBondContact O-NH2 3.23Å; D433-R435 VanDerWaalsContact CB-NH1 3.33Å; D433-R435 PolarHBondContact O-N 3.03Å; D433-R435 PolarHBondContact O-NH1 3.15Å; R435-D459 IonicContact CZ-OD1 3.59Å; R435-D459 IonicContact CZ-OD2 3.21Å; R435-D459 IonicContact NH1-OD2 2.91Å; R435-D459 PolarHBondContact NH1-OD2 3.43Å; R435-D459 IonicContact NH2-OD1 3.25Å; R435-D459 PolarHBondContact NH2-OD1 3.11Å; R435-D459 IonicContact NH2-OD2 3.83Å; R435-D459 PolarHBondContact NH2-OD2 3.17Å; R435-A463 CarbonylContact O-C 3.52Å; R435-A463 VanDerWaalsContact O-CA 3.29Å; R435-A463 WeakPolarHBondContact O-CA 3.44Å; R435-A463 WeakPolarHBondContact O-CB 3.36Å; R435-H464 PolarHBondContact O-N 3.43Å
436	F	98.3	Very high	89.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.6	174.9	62.3	-87	0	0	0	112.2	L359 Y363 G368 I369 V418 I438 H464	L359-F436 HydrophobicContact CD2-CD2 4.36Å; L359-F436 HydrophobicContact CD2-CE1 3.87Å; L359-F436 HydrophobicContact CD2-CE2 3.45Å; L359-F436 VanDerWaalsContact CD2-CE2 3.45Å; L359-F436 HydrophobicContact CD2-CZ 3.14Å; Y363-F436 HydrophobicContact CD1-CB 4.2Å; Y363-F436 AromaticContact CD1-CD1 3.71Å; Y363-F436 HydrophobicContact CD1-CD1 3.71Å; Y363-F436 HydrophobicContact CD1-CG 4.24Å; Y363-F436 HydrophobicContact CD2-CB 4.38Å; Y363-F436 AromaticContact CD2-CD1 3.86Å; Y363-F436 HydrophobicContact CD2-CD1 3.86Å; Y363-F436 HydrophobicContact CD2-CE1 4.3Å; Y363-F436 HydrophobicContact CD2-CG 4.01Å; Y363-F436 HydrophobicContact CE1-CB 3.91Å; Y363-F436 HydrophobicContact CE1-CD1 4.29Å; Y363-F436 HydrophobicContact CE1-CG 4.4Å; Y363-F436 HydrophobicContact CE2-CB 4.09Å; Y363-F436 HydrophobicContact CE2-CD1 4.42Å; Y363-F436 HydrophobicContact CE2-CG 4.17Å; Y363-F436 HydrophobicContact CG-CB 4.43Å; Y363-F436 AromaticContact CG-CD1 3.47Å; Y363-F436 HydrophobicContact CG-CD1 3.47Å; Y363-F436 VanDerWaalsContact CG-CD1 3.47Å; Y363-F436 AromaticContact CG-CE1 3.93Å; Y363-F436 HydrophobicContact CG-CE1 3.93Å; Y363-F436 HydrophobicContact CG-CG 4.04Å; G368-F436 VanDerWaalsContact CA-CZ 3.44Å; G368-F436 WeakPolarHBondContact CA-O 3.46Å; I369-F436 PolarHBondContact N-O 2.93Å; I369-F436 VanDerWaalsContact N-O 3.08Å; V418-F436 HydrophobicContact CG1-CE2 4.49Å; V418-F436 HydrophobicContact CG2-CE2 4.49Å; V418-F436 HydrophobicContact CG2-CZ 3.95Å; F436-I438 HydrophobicContact CD2-CD1 3.82Å; F436-I438 HydrophobicContact CD2-CG1 4Å; F436-I438 HydrophobicContact CE2-CD1 4.23Å; F436-H464 CarbonylContact C-O 3.57Å; F436-H464 VanDerWaalsContact CA-O 3.24Å; F436-H464 WeakPolarHBondContact CA-O 3.39Å
437	V	97.9	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.5	165.8	174.3	0	0	0	0	107	I369 Y371 V434 T453 A456 H464 C465 I466	I369-V437 HydrophobicContact CB-CG2 4.45Å; I369-V437 WeakPolarHBondContact O-CA 3.27Å; Y371-V437 HydrophobicContact CD2-CG1 3.84Å; Y371-V437 HydrophobicContact CE2-CG1 3.94Å; V434-V437 HydrophobicContact CG1-CG2 4.05Å; V437-T453 HydrophobicContact CG1-CG2 4.41Å; V437-A456 HydrophobicContact CG2-CB 3.89Å; V437-H464 PolarHBondContact N-O 2.85Å; V437-C465 WeakPolarHBondContact O-CA 3.46Å; V437-I466 PolarHBondContact O-N 3.3Å
438	I	98.5	Very high	91.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.4	179.6	-63.5	168.7	0	0	0	108.5	I355 I369 I370 Y371 F436 I466 F468	I355-I438 HydrophobicContact CD1-CG2 4.22Å; I355-I438 HydrophobicContact CG2-CD1 4.25Å; I369-I438 PolarHBondContact O-N 2.97Å; I370-I438 CarbonylContact C-O 3.56Å; I370-I438 WeakPolarHBondContact CA-O 3.25Å; I370-I438 HydrophobicContact CG1-CB 4.2Å; I370-I438 HydrophobicContact CG2-CG2 4.48Å; Y371-I438 PolarHBondContact N-O 3.39Å; F436-I438 HydrophobicContact CD2-CD1 3.82Å; F436-I438 HydrophobicContact CD2-CG1 4Å; F436-I438 HydrophobicContact CE2-CD1 4.23Å; I438-I466 CarbonylContact C-O 3.5Å; I438-I466 WeakPolarHBondContact CA-O 3.49Å; I438-I466 HydrophobicContact CG1-CB 4.29Å; I438-F468 HydrophobicContact CG2-CD2 3.7Å; I438-F468 HydrophobicContact CG2-CE2 3.71Å
439	H	98.2	Very high	93.3	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.9	167.5	-74.9	73.7	0	0	0	108.7	Y371 S441 Y449 E452 I466 L467 F468	Y371-H439 AromaticContact CD2-CE1 3.74Å; Y371-H439 AromaticContact CD2-NE2 3.75Å; H439-S441 PolarHBondContact O-N 3.32Å; H439-Y449 AromaticContact CE1-CD2 3.62Å; H439-Y449 AromaticContact CE1-CE2 3.76Å; H439-Y449 AromaticContact ND1-CD2 3.9Å; H439-Y449 AromaticContact ND1-CE2 3.62Å; H439-Y449 AromaticContact NE2-CD2 3.75Å; H439-E452 IonicContact CD2-OE2 3.4Å; H439-E452 IonicContact CE1-OE2 3.04Å; H439-E452 IonicContact NE2-OE2 3.34Å; H439-E452 PolarHBondContact NE2-OE2 3.49Å; H439-I466 PolarHBondContact N-O 2.9Å; H439-L467 HydrophobicContact CB-CB 4.47Å; H439-L467 HydrophobicContact CB-CD1 3.45Å; H439-L467 VanDerWaalsContact CB-CD1 3.45Å; H439-F468 PolarHBondContact O-N 3.46Å
440	N	96.9	Very high	94.1	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.059	10%	0.102	C	C	.	.	S	Bend	trans	-73.5	-12.2	173	-175.9	43.3	0	0	0	111.8	K347 I370 Y371	K347-N440 PolarHBondContact NZ-O 3.11Å; I370-N440 HydrophobicContact CG2-CB 3.88Å; Y371-N440 WeakPolarHBondContact O-CB 3.21Å; Y371-N440 PolarHBondContact O-N 3.09Å
441	S	94.5	Very high	94.6	Very high	4 Å²	4	16 Å²	16	3%	0.028	8%	0.083	C	C	.	.	S	Bend	trans	-147.3	160	176.7	-57.4	0	0	0	0	110.5	H439	H439-S441 PolarHBondContact O-N 3.32Å
442	L	95.3	Very high	94.7	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.026	8%	0.082	C	C	.	.			trans	-58.8	129.9	179.8	-162.5	79.6	0	0	0	111.6	Y469 D473 I500 V503 V504	L442-Y469 HydrophobicContact CD1-CD2 3.73Å; L442-Y469 HydrophobicContact CD1-CE2 3.94Å; L442-D473 HydrophobicContact CB-CB 4.02Å; L442-I500 HydrophobicContact CD2-CG2 4.13Å; L442-V503 HydrophobicContact CD1-CB 4.34Å; L442-V503 HydrophobicContact CD1-CG1 3.52Å; L442-V503 HydrophobicContact CD2-CB 4.47Å; L442-V503 HydrophobicContact CD2-CG1 4.39Å; L442-V503 HydrophobicContact CG-CB 4.31Å; L442-V503 HydrophobicContact CG-CG1 3.74Å; L442-V504 HydrophobicContact CD2-CG2 3.79Å
443	P	94.9	Very high	94.9	Very high	7 Å²	7	12.6 Å²	12.6	5%	0.045	6%	0.061	C	C	.	.			trans	-71	163.9	172.1	27.9	-32.8	0	0	0	112.1	Y449 V503	P443-Y449 HydrophobicContact CB-CD2 4.48Å; P443-Y449 HydrophobicContact CG-CD2 3.7Å; P443-Y449 HydrophobicContact CG-CG 3.93Å; P443-V503 HydrophobicContact CG-CG1 3.63Å; P443-V503 HydrophobicContact CG-CG2 4.44Å
444	K	92.2	Very high	94.8	Very high	77 Å²	77	9.9 Å²	9.9	34%	0.335	5%	0.047	S	C	.	.	S	Bend	trans	-73.3	-28.6	-176.4	-72.8	-177.3	-178.5	-169	0	114.7	I423 L477 N499 I500	I423-K444 HydrophobicContact CD1-CD 3.85Å; I423-K444 HydrophobicContact CD1-CG 4.18Å; K444-L477 HydrophobicContact CD-CD1 4.38Å; K444-L477 HydrophobicContact CG-CD1 3.71Å; K444-L477 HydrophobicContact CG-CD2 3.99Å; K444-L477 HydrophobicContact CG-CG 4.28Å; K444-N499 CarbonylContact O-C 3.48Å; K444-I500 PolarHBondContact O-N 2.99Å
445	S	93.2	Very high	94.5	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.021	5%	0.049	C	C	.	.			trans	-159	166.2	-178.2	84.2	0	0	0	0	110.5	H283 E447 G448 Y449 V503	H283-S445 WeakPolarHBondContact CB-OG 3.16Å; S445-E447 VanDerWaalsContact C-N 3.3Å; S445-E447 WeakPolarHBondContact CB-OE2 3.23Å; S445-E447 PolarHBondContact OG-N 2.84Å; S445-E447 PolarHBondContact OG-OE2 2.98Å; S445-G448 PolarHBondContact O-N 3.36Å; S445-G448 PolarHBondContact OG-N 3.44Å; S445-Y449 PolarHBondContact O-N 3.1Å; S445-V503 VanDerWaalsContact CA-CG2 3.46Å
446	I	94.8	Very high	94.4	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-66	-36.9	175.3	-65.7	-65.2	0	0	0	110.5	Y449 Y450 V503 Y506 L518 H521	I446-Y449 PolarHBondContact O-N 3.03Å; I446-Y450 WeakPolarHBondContact O-CB 3.1Å; I446-Y450 PolarHBondContact O-N 3.46Å; I446-V503 HydrophobicContact CD1-CB 4.48Å; I446-V503 HydrophobicContact CD1-CG2 4.12Å; I446-V503 HydrophobicContact CG1-CG2 4.3Å; I446-Y506 HydrophobicContact CD1-CG 4.06Å; I446-L518 HydrophobicContact CG2-CD2 3.88Å; I446-H521 HydrophobicContact CG2-CB 3.99Å
447	E	91.5	Very high	94.2	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.047	4%	0.041	C	C	.	.	H	α-helix	trans	-61.1	-47.5	175.6	-56.6	82.1	179.7	0	0	111.3	H283 T312 S445 Y450 Q451 H521 F522	H283-E447 HydrophobicContact CB-CB 4.26Å; T312-E447 HydrophobicContact CG2-CG 4.29Å; T312-E447 WeakPolarHBondContact CG2-OE1 3.15Å; S445-E447 VanDerWaalsContact C-N 3.3Å; S445-E447 WeakPolarHBondContact CB-OE2 3.23Å; S445-E447 PolarHBondContact OG-N 2.84Å; S445-E447 PolarHBondContact OG-OE2 2.98Å; E447-Y450 PolarHBondContact O-N 3.43Å; E447-Q451 WeakPolarHBondContact O-CB 3.3Å; E447-Q451 PolarHBondContact O-N 3.5Å; E447-H521 VanDerWaalsContact CD-NE2 3.34Å; E447-H521 IonicContact OE1-CD2 3.81Å; E447-H521 IonicContact OE1-CE1 2.85Å; E447-H521 IonicContact OE1-NE2 2.8Å; E447-H521 PolarHBondContact OE1-NE2 2.84Å; E447-H521 IonicContact OE2-NE2 2.81Å; E447-F522 HydrophobicContact CG-CE1 4.15Å; E447-F522 HydrophobicContact CG-CZ 4.47Å
448	G	90.8	Very high	93.9	Very high	5 Å²	5	10.6 Å²	10.6	5%	0.052	5%	0.05	C	C	.	.	H	α-helix	trans	-60	-48.9	175.2	0	0	0	0	0	111.3	S445 Y450 Q451 E452	S445-G448 PolarHBondContact O-N 3.36Å; S445-G448 PolarHBondContact OG-N 3.44Å; G448-Y450 VanDerWaalsContact C-N 3.33Å; G448-Y450 PolarHBondContact O-N 3.46Å; G448-Q451 PolarHBondContact O-N 3.15Å; G448-E452 VanDerWaalsContact O-CB 3.27Å; G448-E452 WeakPolarHBondContact O-CB 3.48Å; G448-E452 VanDerWaalsContact O-CD 3.25Å; G448-E452 WeakPolarHBondContact O-CG 3.19Å; G448-E452 PolarHBondContact O-N 2.8Å
449	Y	95.1	Very high	93.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.2	-44	177.5	-177.4	-118.8	0	0	0	112.6	Y342 H439 P443 S445 I446 E452 T453 L467 Y506 L518	Y342-Y449 HydrophobicContact CD1-CE1 4.22Å; Y342-Y449 HydrophobicContact CE1-CE1 4.32Å; H439-Y449 AromaticContact CE1-CD2 3.62Å; H439-Y449 AromaticContact CE1-CE2 3.76Å; H439-Y449 AromaticContact ND1-CD2 3.9Å; H439-Y449 AromaticContact ND1-CE2 3.62Å; H439-Y449 AromaticContact NE2-CD2 3.75Å; P443-Y449 HydrophobicContact CB-CD2 4.48Å; P443-Y449 HydrophobicContact CG-CD2 3.7Å; P443-Y449 HydrophobicContact CG-CG 3.93Å; S445-Y449 PolarHBondContact O-N 3.1Å; I446-Y449 PolarHBondContact O-N 3.03Å; Y449-E452 PolarHBondContact O-N 3.43Å; Y449-T453 HydrophobicContact CD2-CG2 3.81Å; Y449-T453 HydrophobicContact CE1-CG2 4.27Å; Y449-T453 HydrophobicContact CE2-CG2 3.43Å; Y449-T453 VanDerWaalsContact CE2-CG2 3.43Å; Y449-T453 HydrophobicContact CG-CG2 4.4Å; Y449-T453 WeakPolarHBondContact O-CB 3.41Å; Y449-T453 WeakPolarHBondContact O-CG2 3.42Å; Y449-T453 PolarHBondContact O-N 3.39Å; Y449-T453 PolarHBondContact O-OG1 3.19Å; Y449-L467 HydrophobicContact CE2-CB 4.35Å; Y449-Y506 HydrophobicContact CD1-CE1 4.29Å; Y449-Y506 HydrophobicContact CE1-CD1 4.48Å; Y449-Y506 AromaticContact CE1-CE1 3.62Å; Y449-Y506 HydrophobicContact CE1-CE1 3.62Å; Y449-Y506 AromaticContact CE1-CZ 3.71Å; Y449-L518 HydrophobicContact CD1-CD2 3.91Å; Y449-L518 HydrophobicContact CE1-CD1 4.26Å; Y449-L518 HydrophobicContact CE1-CD2 4.24Å
450	Y	93.7	Very high	93.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-43.4	177.3	-179.4	-99	0	0	0	111.6	P168 T310 F335 I446 E447 G448 T453 G454 F522	P168-Y450 HydrophobicContact CB-CE1 4.22Å; P168-Y450 WeakPolarHBondContact CB-OH 3.48Å; T310-Y450 HydrophobicContact CG2-CD1 4.2Å; F335-Y450 WeakPolarHBondContact CA-OH 3.3Å; F335-Y450 AromaticContact CD1-CE1 3.85Å; F335-Y450 HydrophobicContact CD1-CE1 3.85Å; F335-Y450 AromaticContact CD1-CZ 3.85Å; F335-Y450 PolarHBondContact O-OH 3.08Å; I446-Y450 WeakPolarHBondContact O-CB 3.1Å; I446-Y450 PolarHBondContact O-N 3.46Å; E447-Y450 PolarHBondContact O-N 3.43Å; G448-Y450 VanDerWaalsContact C-N 3.33Å; G448-Y450 PolarHBondContact O-N 3.46Å; Y450-T453 PolarHBondContact O-OG1 2.71Å; Y450-G454 WeakPolarHBondContact O-CA 3.05Å; Y450-G454 PolarHBondContact O-N 3.43Å; Y450-F522 AromaticContact CD1-CE2 3.67Å; Y450-F522 HydrophobicContact CD1-CE2 3.67Å; Y450-F522 AromaticContact CD1-CZ 3.73Å; Y450-F522 HydrophobicContact CD1-CZ 3.73Å; Y450-F522 AromaticContact CD2-CE2 3.9Å; Y450-F522 HydrophobicContact CD2-CE2 3.9Å; Y450-F522 HydrophobicContact CE1-CE2 4.14Å; Y450-F522 HydrophobicContact CE1-CZ 4.43Å; Y450-F522 HydrophobicContact CE2-CE2 4.36Å; Y450-F522 AromaticContact CG-CE2 3.53Å; Y450-F522 HydrophobicContact CG-CE2 3.53Å; Y450-F522 AromaticContact CG-CZ 3.86Å; Y450-F522 HydrophobicContact CG-CZ 3.86Å
451	Q	90.6	Very high	93.1	Very high	18 Å²	18	20 Å²	20	8%	0.084	11%	0.11	C	C	.	.	H	α-helix	trans	-64.2	-43.8	177.4	-158.8	179.8	17.6	0	0	112.2	H283 T310 E447 G448	H283-Q451 PolarHBondContact NE2-OE1 3.32Å; T310-Q451 HydrophobicContact CG2-CB 3.9Å; T310-Q451 HydrophobicContact CG2-CG 4.18Å; E447-Q451 WeakPolarHBondContact O-CB 3.3Å; E447-Q451 PolarHBondContact O-N 3.5Å; G448-Q451 PolarHBondContact O-N 3.15Å
452	E	92.9	Very high	93.2	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.047	13%	0.132	C	C	.	.	H	α-helix	trans	-66.9	-48.8	-178.5	-73.4	160.9	-176.3	0	0	111.3	Y371 H439 G448 Y449 G454 R455	Y371-E452 HydrophobicContact CD2-CB 3.99Å; Y371-E452 HydrophobicContact CD2-CG 4.31Å; Y371-E452 HydrophobicContact CE1-CG 4.42Å; Y371-E452 HydrophobicContact CE2-CB 3.56Å; Y371-E452 HydrophobicContact CE2-CG 3.89Å; H439-E452 IonicContact CD2-OE2 3.4Å; H439-E452 IonicContact CE1-OE2 3.04Å; H439-E452 IonicContact NE2-OE2 3.34Å; H439-E452 PolarHBondContact NE2-OE2 3.49Å; G448-E452 VanDerWaalsContact O-CB 3.27Å; G448-E452 WeakPolarHBondContact O-CB 3.48Å; G448-E452 VanDerWaalsContact O-CD 3.25Å; G448-E452 WeakPolarHBondContact O-CG 3.19Å; G448-E452 PolarHBondContact O-N 2.8Å; Y449-E452 PolarHBondContact O-N 3.43Å; E452-G454 VanDerWaalsContact C-N 3.35Å; E452-R455 WeakPolarHBondContact O-CB 3.41Å; E452-R455 WeakPolarHBondContact O-CG 3.19Å; E452-R455 PolarHBondContact O-N 3.42Å
453	T	95.1	Very high	93.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.7	-31.3	176.6	55.9	0	0	0	0	112.6	Y342 V437 Y449 Y450 R455 A456 C465	Y342-T453 HydrophobicContact CE1-CG2 4.35Å; V437-T453 HydrophobicContact CG1-CG2 4.41Å; Y449-T453 HydrophobicContact CD2-CG2 3.81Å; Y449-T453 HydrophobicContact CE1-CG2 4.27Å; Y449-T453 HydrophobicContact CE2-CG2 3.43Å; Y449-T453 VanDerWaalsContact CE2-CG2 3.43Å; Y449-T453 HydrophobicContact CG-CG2 4.4Å; Y449-T453 WeakPolarHBondContact O-CB 3.41Å; Y449-T453 WeakPolarHBondContact O-CG2 3.42Å; Y449-T453 PolarHBondContact O-N 3.39Å; Y449-T453 PolarHBondContact O-OG1 3.19Å; Y450-T453 PolarHBondContact O-OG1 2.71Å; T453-R455 PolarHBondContact O-N 2.91Å; T453-A456 VanDerWaalsContact O-CB 3.3Å; T453-A456 WeakPolarHBondContact O-CB 3.39Å; T453-A456 PolarHBondContact O-N 3.07Å; T453-C465 HydrophobicContact CG2-CB 3.83Å
454	G	92	Very high	93.5	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-5.7	176.5	0	0	0	0	0	115.2	R337 Y450 E452 A456	R337-G454 PolarHBondContact NH1-O 3.23Å; Y450-G454 WeakPolarHBondContact O-CA 3.05Å; Y450-G454 PolarHBondContact O-N 3.43Å; E452-G454 VanDerWaalsContact C-N 3.35Å; G454-A456 VanDerWaalsContact C-N 3.34Å
455	R	91.1	Very high	93.7	Very high	12 Å²	12	21.5 Å²	21.5	5%	0.045	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.4	170	-60.3	179.8	-174.3	-65.1	-14.8	113	I369 Y371 G426 E452 T453	I369-R455 HydrophobicContact CD1-CB 4.34Å; Y371-R455 WeakPolarHBondContact OH-CD 3.24Å; Y371-R455 PolarHBondContact OH-NE 3.44Å; G426-R455 VanDerWaalsContact CA-CZ 3.44Å; G426-R455 PolarHBondContact O-NH1 2.93Å; G426-R455 PolarHBondContact O-NH2 3.25Å; E452-R455 WeakPolarHBondContact O-CB 3.41Å; E452-R455 WeakPolarHBondContact O-CG 3.19Å; E452-R455 PolarHBondContact O-N 3.42Å; T453-R455 PolarHBondContact O-N 2.91Å
456	A	94.8	Very high	94	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	148.1	175.3	0	0	0	0	0	111.1	R337 L340 V434 V437 T453 G454 R458 A463	R337-A456 PolarHBondContact NH2-O 3.3Å; L340-A456 HydrophobicContact CD2-CB 3.63Å; V434-A456 WeakPolarHBondContact O-CA 3.34Å; V437-A456 HydrophobicContact CG2-CB 3.89Å; T453-A456 VanDerWaalsContact O-CB 3.3Å; T453-A456 WeakPolarHBondContact O-CB 3.39Å; T453-A456 PolarHBondContact O-N 3.07Å; G454-A456 VanDerWaalsContact C-N 3.34Å; A456-R458 PolarHBondContact O-N 3.32Å; A456-A463 HydrophobicContact CB-CB 3.81Å
457	G	94.3	Very high	94.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	41.9	165.6	0	0	0	0	0	115.3	R337 N339 V434 D459 G460	R337-G457 PolarHBondContact NH2-O 3.04Å; N339-G457 WeakPolarHBondContact ND2-CA 3.45Å; N339-G457 PolarHBondContact ND2-O 3.5Å; V434-G457 PolarHBondContact O-N 3.46Å; G457-D459 WeakPolarHBondContact CA-OD1 3.34Å; G457-D459 PolarHBondContact O-N 3.01Å; G457-G460 PolarHBondContact O-N 3.34Å
458	R	91.1	Very high	94.5	Very high	49 Å²	49	21.1 Å²	21.1	19%	0.185	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.2	178.9	-79.1	-170.8	-174.6	-179.1	15.9	113	I429 D430 P432 A456 G460	I429-R458 VanDerWaalsContact O-CZ 3.3Å; I429-R458 PolarHBondContact O-NH1 3.3Å; I429-R458 VanDerWaalsContact O-NH1 3.09Å; I429-R458 PolarHBondContact O-NH2 3.41Å; D430-R458 VanDerWaalsContact CG-NH1 3.27Å; D430-R458 WeakPolarHBondContact OD1-CD 3.44Å; D430-R458 IonicContact OD1-CZ 3.06Å; D430-R458 IonicContact OD1-NE 2.66Å; D430-R458 IonicContact OD1-NH1 3.34Å; D430-R458 PolarHBondContact OD1-NH1 2.95Å; P432-R458 PolarHBondContact O-N 3.37Å; P432-R458 VanDerWaalsContact O-N 3.08Å; A456-R458 PolarHBondContact O-N 3.32Å; R458-G460 PolarHBondContact O-N 2.87Å
459	D	91.6	Very high	94.8	Very high	63 Å²	63	21.7 Å²	21.7	34%	0.337	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.9	165.8	54.4	9.9	0	0	0	114.1	P432 R435 G457 L461	P432-D459 HydrophobicContact CB-CB 4.28Å; P432-D459 VanDerWaalsContact O-CG 3.31Å; P432-D459 PolarHBondContact O-N 3.1Å; P432-D459 VanDerWaalsContact O-N 3.11Å; R435-D459 IonicContact CZ-OD1 3.59Å; R435-D459 IonicContact CZ-OD2 3.21Å; R435-D459 IonicContact NH1-OD2 2.91Å; R435-D459 PolarHBondContact NH1-OD2 3.43Å; R435-D459 IonicContact NH2-OD1 3.25Å; R435-D459 PolarHBondContact NH2-OD1 3.11Å; R435-D459 IonicContact NH2-OD2 3.83Å; R435-D459 PolarHBondContact NH2-OD2 3.17Å; G457-D459 WeakPolarHBondContact CA-OD1 3.34Å; G457-D459 PolarHBondContact O-N 3.01Å; D459-L461 HydrophobicContact CB-CG 4.48Å; D459-L461 PolarHBondContact O-N 3.05Å; D459-L461 PolarHBondContact OD1-N 3.23Å
460	G	90.4	Very high	94.8	Very high	47 Å²	47	23.1 Å²	23.1	49%	0.485	13%	0.133	S	C	.	.	S	Bend	trans	81.7	-3	-177.4	0	0	0	0	0	114.1	N339 G457 R458	N339-G460 WeakPolarHBondContact CB-O 3.48Å; G457-G460 PolarHBondContact O-N 3.34Å; R458-G460 PolarHBondContact O-N 2.87Å
461	L	94.8	Very high	94.8	Very high	99 Å²	99	24 Å²	24	52%	0.518	14%	0.136	S	C	.	.	S	Bend	trans	-78.5	157.4	176.9	-61.5	179.8	0	0	0	111.3	N339 D459 A463	N339-L461 PolarHBondContact ND2-O 3.15Å; D459-L461 HydrophobicContact CB-CG 4.48Å; D459-L461 PolarHBondContact O-N 3.05Å; D459-L461 PolarHBondContact OD1-N 3.23Å; L461-A463 PolarHBondContact O-N 3.11Å
462	P	96.7	Very high	94.9	Very high	76 Å²	76	29.8 Å²	29.8	49%	0.494	16%	0.163	S	C	.	.			trans	-53.6	135.1	178.5	-28.4	36.3	0	0	0	113.2	N339 T537	N339-P462 WeakPolarHBondContact O-CA 3.48Å; P462-T537 HydrophobicContact CB-CG2 4.43Å
463	A	97.6	Very high	94.9	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.8	174.7	0	0	0	0	0	111.6	N339 L340 R341 R435 A456 L461	N339-A463 PolarHBondContact O-N 3.25Å; L340-A463 WeakPolarHBondContact CA-O 3.49Å; L340-A463 HydrophobicContact CD2-CB 3.84Å; R341-A463 PolarHBondContact N-O 2.89Å; R435-A463 CarbonylContact O-C 3.52Å; R435-A463 VanDerWaalsContact O-CA 3.29Å; R435-A463 WeakPolarHBondContact O-CA 3.44Å; R435-A463 WeakPolarHBondContact O-CB 3.36Å; A456-A463 HydrophobicContact CB-CB 3.81Å; L461-A463 PolarHBondContact O-N 3.11Å
464	H	98.3	Very high	94.9	Very high	48 Å²	48	29.7 Å²	29.7	22%	0.222	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133	-173.5	-69.2	175	0	0	0	112.5	Y363 R435 F436 V437 I466	Y363-H464 HydrophobicContact CE1-CB 4.23Å; Y363-H464 AromaticContact CE1-ND1 3.52Å; Y363-H464 AromaticContact CZ-ND1 3.55Å; Y363-H464 WeakPolarHBondContact OH-CB 3.48Å; Y363-H464 PolarHBondContact OH-ND1 3.42Å; R435-H464 PolarHBondContact O-N 3.43Å; F436-H464 CarbonylContact C-O 3.57Å; F436-H464 VanDerWaalsContact CA-O 3.24Å; F436-H464 WeakPolarHBondContact CA-O 3.39Å; V437-H464 PolarHBondContact N-O 2.85Å; H464-I466 HydrophobicContact CB-CG1 4.48Å
465	C	98.5	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.6	175.5	-58.3	0	0	0	0	108.7	R341 Y342 K343 V437 T453	R341-C465 PolarHBondContact O-N 3.09Å; Y342-C465 WeakPolarHBondContact CA-O 3.33Å; Y342-C465 HydrophobicContact CD1-CB 3.72Å; Y342-C465 HydrophobicContact CE1-CB 3.9Å; Y342-C465 HydrophobicContact CG-CB 4.45Å; K343-C465 PolarHBondContact N-O 2.97Å; V437-C465 WeakPolarHBondContact O-CA 3.46Å; T453-C465 HydrophobicContact CG2-CB 3.83Å
466	I	98.6	Very high	94.8	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123	-172	-56.9	175.1	0	0	0	109.9	K343 I345 M358 Y363 V437 I438 H439 H464 F468	K343-I466 CarbonylContact O-C 3.5Å; K343-I466 WeakPolarHBondContact O-CA 3.32Å; I345-I466 HydrophobicContact CD1-CG2 3.73Å; I345-I466 HydrophobicContact CG1-CG2 4.1Å; M358-I466 HydrophobicContact SD-CD1 4.01Å; Y363-I466 WeakPolarHBondContact OH-CD1 3.42Å; V437-I466 PolarHBondContact O-N 3.3Å; I438-I466 CarbonylContact C-O 3.5Å; I438-I466 WeakPolarHBondContact CA-O 3.49Å; I438-I466 HydrophobicContact CG1-CB 4.29Å; H439-I466 PolarHBondContact N-O 2.9Å; H464-I466 HydrophobicContact CB-CG1 4.48Å; I466-F468 HydrophobicContact CG2-CD2 4.26Å; I466-F468 HydrophobicContact CG2-CE2 3.91Å; I466-F468 HydrophobicContact CG2-CZ 4.3Å
467	L	98.5	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.8	172.3	174.7	62.4	0	0	0	110.4	K343 V344 I345 H439 Y449 Y469 Y506 A507	K343-L467 PolarHBondContact O-N 2.86Å; V344-L467 CarbonylContact C-O 3.45Å; V344-L467 WeakPolarHBondContact CA-O 3.47Å; V344-L467 HydrophobicContact CG2-CB 4.38Å; V344-L467 HydrophobicContact CG2-CD2 4.38Å; I345-L467 PolarHBondContact N-O 3.07Å; H439-L467 HydrophobicContact CB-CB 4.47Å; H439-L467 HydrophobicContact CB-CD1 3.45Å; H439-L467 VanDerWaalsContact CB-CD1 3.45Å; Y449-L467 HydrophobicContact CE2-CB 4.35Å; L467-Y469 PolarHBondContact O-N 3Å; L467-Y506 HydrophobicContact CD2-CD1 4.39Å; L467-Y506 HydrophobicContact CD2-CE1 4.3Å; L467-A507 HydrophobicContact CD2-CB 4.18Å
468	F	98.1	Very high	94.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.2	166.6	-73.7	-79.6	0	0	0	109.7	I345 K347 T351 T354 I355 I438 H439 I466	I345-F468 HydrophobicContact CB-CD1 3.9Å; I345-F468 HydrophobicContact CB-CE1 3.91Å; I345-F468 HydrophobicContact CD1-CE1 4.11Å; I345-F468 HydrophobicContact CD1-CZ 4.22Å; I345-F468 HydrophobicContact CG2-CD1 4.02Å; I345-F468 HydrophobicContact CG2-CE1 3.79Å; I345-F468 CarbonylContact O-C 3.58Å; I345-F468 VanDerWaalsContact O-CA 3.31Å; I345-F468 WeakPolarHBondContact O-CA 3.03Å; K347-F468 HydrophobicContact CB-CB 4.42Å; T351-F468 HydrophobicContact CG2-CB 4.16Å; T351-F468 HydrophobicContact CG2-CD1 3.38Å; T351-F468 HydrophobicContact CG2-CD2 4.13Å; T351-F468 HydrophobicContact CG2-CE1 3.68Å; T351-F468 HydrophobicContact CG2-CE2 4.4Å; T351-F468 HydrophobicContact CG2-CG 3.62Å; T351-F468 HydrophobicContact CG2-CZ 4.18Å; T354-F468 HydrophobicContact CG2-CZ 4.48Å; I355-F468 HydrophobicContact CD1-CD2 3.99Å; I355-F468 HydrophobicContact CD1-CE2 3.69Å; I355-F468 HydrophobicContact CD1-CZ 4.33Å; I355-F468 HydrophobicContact CG1-CD2 4.24Å; I355-F468 HydrophobicContact CG1-CE2 3.44Å; I355-F468 VanDerWaalsContact CG1-CE2 3.44Å; I355-F468 HydrophobicContact CG1-CZ 3.75Å; I438-F468 HydrophobicContact CG2-CD2 3.7Å; I438-F468 HydrophobicContact CG2-CE2 3.71Å; H439-F468 PolarHBondContact O-N 3.46Å; I466-F468 HydrophobicContact CG2-CD2 4.26Å; I466-F468 HydrophobicContact CG2-CE2 3.91Å; I466-F468 HydrophobicContact CG2-CZ 4.3Å
469	Y	97.1	Very high	94.3	Very high	18 Å²	18	36.9 Å²	36.9	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.3	-169.5	173.4	-110.8	0	0	0	112.6	I345 K347 L442 L467 Y471 A507 E508	I345-Y469 PolarHBondContact O-N 2.88Å; K347-Y469 VanDerWaalsContact CB-O 3.25Å; K347-Y469 WeakPolarHBondContact CB-O 3.37Å; K347-Y469 PolarHBondContact N-O 3.26Å; L442-Y469 HydrophobicContact CD1-CD2 3.73Å; L442-Y469 HydrophobicContact CD1-CE2 3.94Å; L467-Y469 PolarHBondContact O-N 3Å; Y469-Y471 WeakPolarHBondContact OH-CD2 3.29Å; Y469-A507 HydrophobicContact CD1-CB 4.18Å; Y469-A507 HydrophobicContact CD2-CB 3.3Å; Y469-A507 HydrophobicContact CE1-CB 4.42Å; Y469-A507 HydrophobicContact CE2-CB 3.6Å; Y469-A507 HydrophobicContact CG-CB 3.62Å; Y469-E508 HydrophobicContact CE1-CG 4.23Å; Y469-E508 WeakPolarHBondContact CE1-OE1 3.42Å; Y469-E508 PolarHBondContact OH-OE1 3.01Å; Y469-E508 VanDerWaalsContact OH-OE1 3.12Å
470	S	94.9	Very high	94	Very high	30 Å²	30	36.3 Å²	36.3	21%	0.21	19%	0.19	C	C	.	.			trans	-137.7	133.7	163	172.5	0	0	0	0	109.2	Q472 D473	S470-Q472 PolarHBondContact O-N 3.03Å; S470-Q472 PolarHBondContact OG-N 3.08Å; S470-D473 WeakPolarHBondContact O-CB 3.44Å; S470-D473 PolarHBondContact O-N 3.42Å
471	Y	94.6	Very high	93.6	Very high	22 Å²	22	34.5 Å²	34.5	9%	0.086	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-31.1	174.7	-169.8	-94.5	0	0	0	112.3	Y469 D473 S474 I475 V504 L577 H618 I621 E628	Y469-Y471 WeakPolarHBondContact OH-CD2 3.29Å; Y471-D473 PolarHBondContact O-N 3.21Å; Y471-S474 VanDerWaalsContact O-CB 3.29Å; Y471-S474 WeakPolarHBondContact O-CB 3.03Å; Y471-S474 PolarHBondContact O-N 3.38Å; Y471-S474 PolarHBondContact O-OG 3.09Å; Y471-I475 HydrophobicContact CD1-CD1 4.38Å; Y471-I475 HydrophobicContact CE1-CD1 4.33Å; Y471-I475 HydrophobicContact CE1-CG1 4.42Å; Y471-V504 HydrophobicContact CD2-CG1 4.1Å; Y471-V504 HydrophobicContact CE2-CG1 3.96Å; Y471-L577 HydrophobicContact CE1-CD2 4.37Å; Y471-H618 AromaticContact CD1-NE2 3.68Å; Y471-H618 HydrophobicContact CD2-CB 4.32Å; Y471-H618 AromaticContact CD2-CD2 3.35Å; Y471-H618 WeakPolarHBondContact CD2-CD2 3.45Å; Y471-H618 AromaticContact CD2-CE1 3.55Å; Y471-H618 AromaticContact CD2-CG 3.54Å; Y471-H618 AromaticContact CD2-ND1 3.63Å; Y471-H618 AromaticContact CD2-NE2 3.4Å; Y471-H618 WeakPolarHBondContact CD2-NE2 3.46Å; Y471-H618 HydrophobicContact CE2-CB 4.18Å; Y471-H618 AromaticContact CE2-CD2 3.38Å; Y471-H618 WeakPolarHBondContact CE2-CD2 3.27Å; Y471-H618 AromaticContact CE2-CG 3.71Å; Y471-H618 AromaticContact CE2-NE2 3.88Å; Y471-H618 AromaticContact CG-CD2 3.75Å; Y471-H618 AromaticContact CG-CE1 3.55Å; Y471-H618 AromaticContact CG-NE2 3.3Å; Y471-H618 VanDerWaalsContact CG-NE2 3.3Å; Y471-H618 AromaticContact CZ-CD2 3.81Å; Y471-I621 VanDerWaalsContact OH-CD1 3.26Å; Y471-I621 WeakPolarHBondContact OH-CD1 3.41Å; Y471-E628 VanDerWaalsContact OH-CD 3.28Å; Y471-E628 PolarHBondContact OH-OE2 2.83Å
472	Q	92	Very high	93	Very high	139 Å²	139	32.4 Å²	32.4	65%	0.65	16%	0.157	S	C	*	.	H	α-helix	trans	-63.3	-28.4	178.1	-66.6	-172.2	-8.8	0	0	113	S470 S474 I475 R476	S470-Q472 PolarHBondContact O-N 3.03Å; S470-Q472 PolarHBondContact OG-N 3.08Å; Q472-S474 PolarHBondContact O-N 3.19Å; Q472-I475 PolarHBondContact O-N 3.4Å; Q472-I475 VanDerWaalsContact O-N 3.1Å; Q472-R476 PolarHBondContact O-N 3.38Å
473	D	93.4	Very high	92.2	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-28.7	175.9	-72.7	-29.6	0	0	0	110.7	K347 L442 S470 Y471 I475 R476 L477	K347-D473 IonicContact NZ-OD1 2.9Å; K347-D473 IonicContact NZ-OD2 2.94Å; K347-D473 PolarHBondContact NZ-OD2 2.88Å; L442-D473 HydrophobicContact CB-CB 4.02Å; S470-D473 WeakPolarHBondContact O-CB 3.44Å; S470-D473 PolarHBondContact O-N 3.42Å; Y471-D473 PolarHBondContact O-N 3.21Å; D473-I475 PolarHBondContact O-N 3.22Å; D473-R476 PolarHBondContact O-N 2.96Å; D473-R476 IonicContact OD1-NH1 3.35Å; D473-R476 PolarHBondContact OD1-NH1 3.43Å; D473-R476 VanDerWaalsContact OD1-NH1 3.1Å; D473-L477 WeakPolarHBondContact O-CB 3.28Å; D473-L477 PolarHBondContact O-N 3.01Å
474	S	93.8	Very high	90.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-34.9	172.4	81.8	0	0	0	0	113	Y471 Q472 R478	Y471-S474 VanDerWaalsContact O-CB 3.29Å; Y471-S474 WeakPolarHBondContact O-CB 3.03Å; Y471-S474 PolarHBondContact O-N 3.38Å; Y471-S474 PolarHBondContact O-OG 3.09Å; Q472-S474 PolarHBondContact O-N 3.19Å; S474-R478 WeakPolarHBondContact O-CB 3.46Å; S474-R478 WeakPolarHBondContact O-CG 3.33Å; S474-R478 PolarHBondContact O-N 3.48Å; S474-R478 PolarHBondContact O-NE 2.98Å
475	I	91.2	Very high	89.3	Confident	36 Å²	36	37 Å²	37	19%	0.185	18%	0.182	C	C	.	.	H	α-helix	trans	-71.9	-46.7	177.3	-61.9	170.7	0	0	0	109.5	Y471 Q472 D473 L477 R478 K479 L630 V638	Y471-I475 HydrophobicContact CD1-CD1 4.38Å; Y471-I475 HydrophobicContact CE1-CD1 4.33Å; Y471-I475 HydrophobicContact CE1-CG1 4.42Å; Q472-I475 PolarHBondContact O-N 3.4Å; Q472-I475 VanDerWaalsContact O-N 3.1Å; D473-I475 PolarHBondContact O-N 3.22Å; I475-L477 VanDerWaalsContact C-N 3.27Å; I475-L477 PolarHBondContact O-N 2.75Å; I475-R478 PolarHBondContact O-N 2.76Å; I475-K479 PolarHBondContact O-N 2.95Å; I475-L630 HydrophobicContact CG2-CD2 3.95Å; I475-V638 HydrophobicContact CG2-CG1 3.97Å
476	R	91.3	Very high	87.2	Confident	101 Å²	101	42 Å²	42	38%	0.381	22%	0.217	S	C	.	.	H	α-helix	trans	-57.7	-43.3	175.7	-69.3	174	69	-154.4	3.3	111.1	L373 D377 Q472 D473 K479 L480	L373-R476 HydrophobicContact CD2-CB 3.68Å; D377-R476 IonicContact OD1-NH2 3.49Å; D377-R476 PolarHBondContact OD1-NH2 3.28Å; D377-R476 IonicContact OD2-CZ 3.34Å; D377-R476 IonicContact OD2-NH1 3.08Å; D377-R476 IonicContact OD2-NH2 2.72Å; D377-R476 PolarHBondContact OD2-NH2 3.05Å; Q472-R476 PolarHBondContact O-N 3.38Å; D473-R476 PolarHBondContact O-N 2.96Å; D473-R476 IonicContact OD1-NH1 3.35Å; D473-R476 PolarHBondContact OD1-NH1 3.43Å; D473-R476 VanDerWaalsContact OD1-NH1 3.1Å; R476-K479 PolarHBondContact O-N 3.42Å; R476-L480 PolarHBondContact O-N 3.35Å; R476-L480 VanDerWaalsContact O-N 3.14Å
477	L	90.9	Very high	84.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-68.8	-41.9	-178.8	-174.1	61.1	0	0	0	112.5	L373 K444 D473 I475 L480 I481 I500	L373-L477 HydrophobicContact CD1-CB 4.18Å; L373-L477 HydrophobicContact CD1-CD1 3.44Å; L373-L477 VanDerWaalsContact CD1-CD1 3.44Å; L373-L477 HydrophobicContact CD1-CG 4.32Å; K444-L477 HydrophobicContact CD-CD1 4.38Å; K444-L477 HydrophobicContact CG-CD1 3.71Å; K444-L477 HydrophobicContact CG-CD2 3.99Å; K444-L477 HydrophobicContact CG-CG 4.28Å; D473-L477 WeakPolarHBondContact O-CB 3.28Å; D473-L477 PolarHBondContact O-N 3.01Å; I475-L477 VanDerWaalsContact C-N 3.27Å; I475-L477 PolarHBondContact O-N 2.75Å; L477-L480 PolarHBondContact O-N 2.81Å; L477-I481 WeakPolarHBondContact O-CG1 3.36Å; L477-I481 PolarHBondContact O-N 3.35Å; L477-I500 HydrophobicContact CB-CD1 4.3Å; L477-I500 HydrophobicContact CD2-CD1 3.9Å; L477-I500 HydrophobicContact CD2-CG1 3.86Å; L477-I500 HydrophobicContact CG-CD1 3.77Å; L477-I500 HydrophobicContact CG-CG1 4.3Å
478	R	90.2	Very high	83	Confident	16 Å²	16	54.1 Å²	54.1	6%	0.06	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-42	172.4	-78.1	-177.1	-66.7	176.4	-5.9	112.6	S474 I475 L480 I481 E482 I500 E628 L630	S474-R478 WeakPolarHBondContact O-CB 3.46Å; S474-R478 WeakPolarHBondContact O-CG 3.33Å; S474-R478 PolarHBondContact O-N 3.48Å; S474-R478 PolarHBondContact O-NE 2.98Å; I475-R478 PolarHBondContact O-N 2.76Å; R478-L480 VanDerWaalsContact C-N 3.26Å; R478-L480 PolarHBondContact O-N 2.9Å; R478-I481 PolarHBondContact O-N 3.04Å; R478-E482 WeakPolarHBondContact O-CB 3.21Å; R478-E482 WeakPolarHBondContact O-CG 3.33Å; R478-E482 PolarHBondContact O-N 3.24Å; R478-I500 HydrophobicContact CG-CD1 3.66Å; R478-E628 IonicContact CZ-OE2 3.1Å; R478-E628 IonicContact NH1-OE2 3.78Å; R478-E628 PolarHBondContact NH1-OE2 3.33Å; R478-E628 VanDerWaalsContact NH1-OE2 3.12Å; R478-E628 IonicContact NH2-OE2 3.38Å; R478-E628 PolarHBondContact NH2-OE2 3.3Å; R478-L630 HydrophobicContact CB-CD1 3.57Å
479	K	88.2	Confident	81.4	Confident	61 Å²	61	55.9 Å²	55.9	27%	0.265	29%	0.289	S	S	.	.	H	α-helix	trans	-53.8	-47	173.8	-173.3	-167.2	-168.9	178.7	0	110.6	I475 R476 E482 S483 D636 V638	I475-K479 PolarHBondContact O-N 2.95Å; R476-K479 PolarHBondContact O-N 3.42Å; K479-E482 PolarHBondContact O-N 2.93Å; K479-S483 WeakPolarHBondContact O-CB 3.47Å; K479-S483 PolarHBondContact O-N 2.81Å; K479-S483 PolarHBondContact O-OG 3.34Å; K479-D636 PolarHBondContact NZ-O 2.98Å; K479-D636 IonicContact NZ-OD1 3.51Å; K479-D636 PolarHBondContact NZ-OD1 2.65Å; K479-D636 IonicContact NZ-OD2 3.76Å; K479-D636 PolarHBondContact NZ-OD2 3.25Å; K479-V638 HydrophobicContact CB-CG2 4.26Å; K479-V638 HydrophobicContact CD-CG2 3.35Å; K479-V638 VanDerWaalsContact CE-CG2 3.43Å; K479-V638 HydrophobicContact CG-CG2 3.69Å
480	L	84.6	Confident	80.2	Confident	51 Å²	51	56.1 Å²	56.1	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-48.4	-178.9	-170.5	142.9	0	0	0	111.3	R476 L477 R478 E482 S483 E484	R476-L480 PolarHBondContact O-N 3.35Å; R476-L480 VanDerWaalsContact O-N 3.14Å; L477-L480 PolarHBondContact O-N 2.81Å; R478-L480 VanDerWaalsContact C-N 3.26Å; R478-L480 PolarHBondContact O-N 2.9Å; L480-E482 PolarHBondContact O-N 3.3Å; L480-S483 PolarHBondContact O-N 3.48Å; L480-S483 PolarHBondContact O-OG 3.34Å; L480-E484 HydrophobicContact CD2-CG 4.49Å; L480-E484 WeakPolarHBondContact CD2-OE1 3.33Å; L480-E484 WeakPolarHBondContact O-CG 3.47Å; L480-E484 PolarHBondContact O-N 2.94Å
481	I	83	Confident	79.1	Confident	9 Å²	9	56 Å²	56	5%	0.046	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-42.8	178.9	-63.2	-179.6	0	0	0	111.8	L477 R478 S483 E484 S485 L493 H496 I500	L477-I481 WeakPolarHBondContact O-CG1 3.36Å; L477-I481 PolarHBondContact O-N 3.35Å; R478-I481 PolarHBondContact O-N 3.04Å; I481-S483 VanDerWaalsContact C-N 3.29Å; I481-S483 PolarHBondContact O-N 3.39Å; I481-E484 PolarHBondContact O-N 3.01Å; I481-S485 WeakPolarHBondContact O-CB 3.41Å; I481-S485 PolarHBondContact O-N 2.85Å; I481-S485 PolarHBondContact O-OG 3.28Å; I481-L493 HydrophobicContact CG2-CD1 3.82Å; I481-H496 HydrophobicContact CD1-CB 3.98Å; I481-H496 HydrophobicContact CG2-CB 3.89Å; I481-I500 HydrophobicContact CD1-CD1 3.7Å
482	E	82.2	Confident	78	Confident	54 Å²	54	56.5 Å²	56.5	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-33.1	179.1	-74	178	-174.4	0	0	112.1	R478 K479 L480 L493 R497	R478-E482 WeakPolarHBondContact O-CB 3.21Å; R478-E482 WeakPolarHBondContact O-CG 3.33Å; R478-E482 PolarHBondContact O-N 3.24Å; K479-E482 PolarHBondContact O-N 2.93Å; L480-E482 PolarHBondContact O-N 3.3Å; E482-L493 HydrophobicContact CG-CD1 3.8Å; E482-L493 HydrophobicContact CG-CD2 4.2Å; E482-L493 HydrophobicContact CG-CG 4.48Å; E482-R497 IonicContact OE1-CZ 2.76Å; E482-R497 IonicContact OE1-NE 3.25Å; E482-R497 PolarHBondContact OE1-NE 3.01Å; E482-R497 VanDerWaalsContact OE1-NE 3.08Å; E482-R497 IonicContact OE1-NH2 3.96Å; E482-R497 PolarHBondContact OE1-NH2 3.09Å
483	S	78.2	Confident	77.4	Confident	81 Å²	81	51.3 Å²	51.3	57%	0.566	28%	0.277	S	S	*	.	H	α-helix	trans	-72.3	-40.2	174.5	68.7	0	0	0	0	113.3	K479 L480 I481 S485	K479-S483 WeakPolarHBondContact O-CB 3.47Å; K479-S483 PolarHBondContact O-N 2.81Å; K479-S483 PolarHBondContact O-OG 3.34Å; L480-S483 PolarHBondContact O-N 3.48Å; L480-S483 PolarHBondContact O-OG 3.34Å; I481-S483 VanDerWaalsContact C-N 3.29Å; I481-S483 PolarHBondContact O-N 3.39Å; S483-S485 VanDerWaalsContact C-N 3.34Å
484	E	71.2	Confident	76.9	Confident	125 Å²	125	55.4 Å²	55.4	58%	0.584	30%	0.299	S	S	*	.	H	α-helix	trans	-69.4	-33.5	176.2	-71.8	177.5	166.8	0	0	111.7	L480 I481 S486	L480-E484 HydrophobicContact CD2-CG 4.49Å; L480-E484 WeakPolarHBondContact CD2-OE1 3.33Å; L480-E484 WeakPolarHBondContact O-CG 3.47Å; L480-E484 PolarHBondContact O-N 2.94Å; I481-E484 PolarHBondContact O-N 3.01Å; E484-S486 VanDerWaalsContact C-N 3.32Å; E484-S486 PolarHBondContact O-N 3.02Å
485	S	64.9	Low	76.3	Confident	16 Å²	16	56.3 Å²	56.3	11%	0.112	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-88.7	17.6	-170.1	-60.9	0	0	0	0	115	I481 S483 K487 S488	I481-S485 WeakPolarHBondContact O-CB 3.41Å; I481-S485 PolarHBondContact O-N 2.85Å; I481-S485 PolarHBondContact O-OG 3.28Å; S483-S485 VanDerWaalsContact C-N 3.34Å; S485-K487 PolarHBondContact O-N 3.34Å; S485-S488 VanDerWaalsContact CA-OG 3.28Å; S485-S488 WeakPolarHBondContact CA-OG 3.38Å; S485-S488 WeakPolarHBondContact CB-OG 3.47Å; S485-S488 PolarHBondContact O-N 2.98Å
486	S	53.8	Low	76	Confident	105 Å²	105	56.8 Å²	56.8	73%	0.734	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-57.2	-14.6	176.1	53.7	0	0	0	0	114	E484	E484-S486 VanDerWaalsContact C-N 3.32Å; E484-S486 PolarHBondContact O-N 3.02Å
487	K	51.2	Low	75.9	Confident	206 Å²	206	55.9 Å²	55.9	90%	0.896	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-108.2	-4.7	173.9	-62.1	-177.7	-179.4	179.9	0	114.7	S485	S485-K487 PolarHBondContact O-N 3.34Å
488	S	59.1	Low	75.8	Confident	55 Å²	55	59.1 Å²	59.1	39%	0.385	32%	0.317	S	S	.	.	S	Bend	trans	-87.5	147.5	-172.7	-45.6	0	0	0	0	111.5	S485 G490	S485-S488 VanDerWaalsContact CA-OG 3.28Å; S485-S488 WeakPolarHBondContact CA-OG 3.38Å; S485-S488 WeakPolarHBondContact CB-OG 3.47Å; S485-S488 PolarHBondContact O-N 2.98Å; S488-G490 PolarHBondContact O-N 3.37Å
489	S	63.2	Low	75.8	Confident	40 Å²	40	59.5 Å²	59.5	28%	0.28	32%	0.32	S	S	.	.			trans	-58.5	140	170	-179.3	0	0	0	0	109.9	T491 V492 L493 R790	S489-T491 WeakPolarHBondContact CB-OG1 3.36Å; S489-T491 PolarHBondContact O-N 3.27Å; S489-T491 PolarHBondContact OG-OG1 3.47Å; S489-V492 PolarHBondContact O-N 3.06Å; S489-L493 PolarHBondContact O-N 3.41Å; S489-R790 PolarHBondContact OG-NH1 2.82Å
490	G	72.2	Confident	76.1	Confident	23 Å²	23	56.7 Å²	56.7	24%	0.237	31%	0.307	C	S	.	.	H	α-helix	trans	-55.9	-23.9	176.8	0	0	0	0	0	114.1	S488 L493 D494	S488-G490 PolarHBondContact O-N 3.37Å; G490-L493 PolarHBondContact O-N 3.33Å; G490-D494 VanDerWaalsContact O-CG 3.3Å; G490-D494 PolarHBondContact O-N 3.27Å
491	T	71.3	Confident	76.6	Confident	26 Å²	26	55.3 Å²	55.3	16%	0.16	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-41.8	174.8	44.9	0	0	0	0	112.3	S489 D494 M495 D787	S489-T491 WeakPolarHBondContact CB-OG1 3.36Å; S489-T491 PolarHBondContact O-N 3.27Å; S489-T491 PolarHBondContact OG-OG1 3.47Å; T491-D494 PolarHBondContact O-N 2.75Å; T491-M495 PolarHBondContact O-N 3.4Å; T491-M495 VanDerWaalsContact O-N 3.08Å; T491-D787 PolarHBondContact OG1-OD1 2.91Å
492	V	72.6	Confident	77.2	Confident	34 Å²	34	56.6 Å²	56.6	21%	0.206	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-40	177.5	179	0	0	0	0	110.7	S489 M495 H496	S489-V492 PolarHBondContact O-N 3.06Å; V492-M495 HydrophobicContact CG1-CE 4.46Å; V492-M495 WeakPolarHBondContact O-CB 3.15Å; V492-M495 PolarHBondContact O-N 3.47Å; V492-H496 WeakPolarHBondContact CG1-NE2 3.2Å; V492-H496 PolarHBondContact O-CD2 3.39Å; V492-H496 PolarHBondContact O-N 3.38Å
493	L	79.6	Confident	77.9	Confident	29 Å²	29	54 Å²	54	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-43.1	177.3	-174.3	65.3	0	0	0	111.9	I481 E482 S489 G490 M495 H496 R497	I481-L493 HydrophobicContact CG2-CD1 3.82Å; E482-L493 HydrophobicContact CG-CD1 3.8Å; E482-L493 HydrophobicContact CG-CD2 4.2Å; E482-L493 HydrophobicContact CG-CG 4.48Å; S489-L493 PolarHBondContact O-N 3.41Å; G490-L493 PolarHBondContact O-N 3.33Å; L493-M495 VanDerWaalsContact C-N 3.32Å; L493-M495 PolarHBondContact O-N 3.38Å; L493-H496 PolarHBondContact O-N 3.28Å; L493-R497 WeakPolarHBondContact O-CG 3.15Å; L493-R497 PolarHBondContact O-N 3.33Å
494	D	81.7	Confident	78.8	Confident	93 Å²	93	50.1 Å²	50.1	50%	0.497	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-36.8	177.3	-69.1	-24.1	0	0	0	111.9	G490 T491 R497 Q498	G490-D494 VanDerWaalsContact O-CG 3.3Å; G490-D494 PolarHBondContact O-N 3.27Å; T491-D494 PolarHBondContact O-N 2.75Å; D494-R497 PolarHBondContact O-N 3.24Å; D494-R497 IonicContact OD1-NH1 3.73Å; D494-R497 PolarHBondContact OD1-NH1 2.96Å; D494-Q498 WeakPolarHBondContact O-CB 3.29Å; D494-Q498 PolarHBondContact O-N 2.91Å
495	M	81.7	Confident	80	Confident	20 Å²	20	46.2 Å²	46.2	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-48.7	171.2	-179.5	-157.9	72	0	0	111.7	W281 T491 V492 L493 R497 Q498 N499	W281-M495 VanDerWaalsContact CA-SD 3.51Å; W281-M495 HydrophobicContact CB-SD 4.44Å; W281-M495 HydrophobicContact CE3-CG 4.15Å; W281-M495 HydrophobicContact CE3-SD 3.91Å; W281-M495 HydrophobicContact CZ3-CB 4.36Å; W281-M495 HydrophobicContact CZ3-CG 4.47Å; T491-M495 PolarHBondContact O-N 3.4Å; T491-M495 VanDerWaalsContact O-N 3.08Å; V492-M495 HydrophobicContact CG1-CE 4.46Å; V492-M495 WeakPolarHBondContact O-CB 3.15Å; V492-M495 PolarHBondContact O-N 3.47Å; L493-M495 VanDerWaalsContact C-N 3.32Å; L493-M495 PolarHBondContact O-N 3.38Å; M495-R497 VanDerWaalsContact C-N 3.27Å; M495-R497 PolarHBondContact O-N 2.91Å; M495-Q498 PolarHBondContact O-N 3.06Å; M495-Q498 VanDerWaalsContact O-N 3.1Å; M495-N499 PolarHBondContact O-N 2.97Å; M495-N499 PolarHBondContact O-OD1 3.5Å
496	H	84.9	Confident	81.6	Confident	46 Å²	46	45.6 Å²	45.6	21%	0.213	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-39.3	177.4	-71.9	-50.8	0	0	0	112.2	I481 V492 L493 N499 I500	I481-H496 HydrophobicContact CD1-CB 3.98Å; I481-H496 HydrophobicContact CG2-CB 3.89Å; V492-H496 WeakPolarHBondContact CG1-NE2 3.2Å; V492-H496 PolarHBondContact O-CD2 3.39Å; V492-H496 PolarHBondContact O-N 3.38Å; L493-H496 PolarHBondContact O-N 3.28Å; H496-N499 PolarHBondContact O-N 2.89Å; H496-I500 WeakPolarHBondContact O-CG1 3.48Å; H496-I500 PolarHBondContact O-N 3.32Å
497	R	88.8	Confident	83.6	Confident	82 Å²	82	40.9 Å²	40.9	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-45.9	173.2	-72.1	172	177.5	151.9	-6.8	111.2	E482 L493 D494 M495 N499 I500 L501	E482-R497 IonicContact OE1-CZ 2.76Å; E482-R497 IonicContact OE1-NE 3.25Å; E482-R497 PolarHBondContact OE1-NE 3.01Å; E482-R497 VanDerWaalsContact OE1-NE 3.08Å; E482-R497 IonicContact OE1-NH2 3.96Å; E482-R497 PolarHBondContact OE1-NH2 3.09Å; L493-R497 WeakPolarHBondContact O-CG 3.15Å; L493-R497 PolarHBondContact O-N 3.33Å; D494-R497 PolarHBondContact O-N 3.24Å; D494-R497 IonicContact OD1-NH1 3.73Å; D494-R497 PolarHBondContact OD1-NH1 2.96Å; M495-R497 VanDerWaalsContact C-N 3.27Å; M495-R497 PolarHBondContact O-N 2.91Å; R497-N499 VanDerWaalsContact C-N 3.32Å; R497-N499 PolarHBondContact O-N 3.07Å; R497-I500 PolarHBondContact O-N 2.85Å; R497-L501 WeakPolarHBondContact O-CG 3.35Å; R497-L501 PolarHBondContact O-N 3.21Å
498	Q	89.4	Confident	85.7	Confident	70 Å²	70	32.4 Å²	32.4	33%	0.327	19%	0.186	S	C	.	.	H	α-helix	trans	-63.7	-37.8	178.4	-171.4	59.2	25.1	0	0	112.5	D494 M495 L501 S502	D494-Q498 WeakPolarHBondContact O-CB 3.29Å; D494-Q498 PolarHBondContact O-N 2.91Å; M495-Q498 PolarHBondContact O-N 3.06Å; M495-Q498 VanDerWaalsContact O-N 3.1Å; Q498-L501 PolarHBondContact O-N 2.95Å; Q498-S502 PolarHBondContact O-N 2.52Å; Q498-S502 PolarHBondContact O-OG 3.38Å
499	N	90.9	Very high	87.3	Confident	23 Å²	23	31.4 Å²	31.4	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-44.3	175.5	-72.6	-4	0	0	0	111.2	K444 M495 H496 R497 L501 S502 V503	K444-N499 CarbonylContact O-C 3.48Å; M495-N499 PolarHBondContact O-N 2.97Å; M495-N499 PolarHBondContact O-OD1 3.5Å; H496-N499 PolarHBondContact O-N 2.89Å; R497-N499 VanDerWaalsContact C-N 3.32Å; R497-N499 PolarHBondContact O-N 3.07Å; N499-L501 PolarHBondContact O-N 3.24Å; N499-S502 WeakPolarHBondContact O-CB 3.43Å; N499-S502 PolarHBondContact O-N 3.05Å; N499-V503 WeakPolarHBondContact O-CG2 3.36Å; N499-V503 PolarHBondContact O-N 2.97Å
500	I	94.5	Very high	88.7	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-46.6	174.7	-66.8	171.8	0	0	0	110.6	L442 K444 L477 R478 I481 H496 R497 S502 V503 V504	L442-I500 HydrophobicContact CD2-CG2 4.13Å; K444-I500 PolarHBondContact O-N 2.99Å; L477-I500 HydrophobicContact CB-CD1 4.3Å; L477-I500 HydrophobicContact CD2-CD1 3.9Å; L477-I500 HydrophobicContact CD2-CG1 3.86Å; L477-I500 HydrophobicContact CG-CD1 3.77Å; L477-I500 HydrophobicContact CG-CG1 4.3Å; R478-I500 HydrophobicContact CG-CD1 3.66Å; I481-I500 HydrophobicContact CD1-CD1 3.7Å; H496-I500 WeakPolarHBondContact O-CG1 3.48Å; H496-I500 PolarHBondContact O-N 3.32Å; R497-I500 PolarHBondContact O-N 2.85Å; I500-S502 PolarHBondContact O-N 3.23Å; I500-V503 PolarHBondContact O-N 3.31Å; I500-V503 VanDerWaalsContact O-N 3.09Å; I500-V504 HydrophobicContact CG2-CG2 4.43Å; I500-V504 WeakPolarHBondContact O-CG2 3.48Å; I500-V504 PolarHBondContact O-N 3.35Å
501	L	94.9	Very high	89.7	Confident	22 Å²	22	30.6 Å²	30.6	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-33.3	178.1	-69.9	180	0	0	0	112.2	R497 Q498 N499 V503 V504 A505 I621	R497-L501 WeakPolarHBondContact O-CG 3.35Å; R497-L501 PolarHBondContact O-N 3.21Å; Q498-L501 PolarHBondContact O-N 2.95Å; N499-L501 PolarHBondContact O-N 3.24Å; L501-V503 VanDerWaalsContact C-N 3.34Å; L501-V504 PolarHBondContact O-N 3.05Å; L501-A505 WeakPolarHBondContact O-CB 3.39Å; L501-A505 PolarHBondContact O-N 2.94Å; L501-I621 HydrophobicContact CD2-CG2 3.77Å
502	S	94.9	Very high	90.7	Very high	36 Å²	36	30.7 Å²	30.7	25%	0.252	17%	0.17	S	C	.	.	H	α-helix	trans	-65.3	-38.4	175.3	-55.3	0	0	0	0	111.7	Q498 N499 I500 A505 Y506	Q498-S502 PolarHBondContact O-N 2.52Å; Q498-S502 PolarHBondContact O-OG 3.38Å; N499-S502 WeakPolarHBondContact O-CB 3.43Å; N499-S502 PolarHBondContact O-N 3.05Å; I500-S502 PolarHBondContact O-N 3.23Å; S502-A505 PolarHBondContact O-N 3.23Å; S502-Y506 PolarHBondContact O-N 2.76Å
503	V	96.8	Very high	91.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.7	-38.6	173.1	-172.1	0	0	0	0	111.5	L442 P443 S445 I446 N499 I500 L501 A505 Y506 A507	L442-V503 HydrophobicContact CD1-CB 4.34Å; L442-V503 HydrophobicContact CD1-CG1 3.52Å; L442-V503 HydrophobicContact CD2-CB 4.47Å; L442-V503 HydrophobicContact CD2-CG1 4.39Å; L442-V503 HydrophobicContact CG-CB 4.31Å; L442-V503 HydrophobicContact CG-CG1 3.74Å; P443-V503 HydrophobicContact CG-CG1 3.63Å; P443-V503 HydrophobicContact CG-CG2 4.44Å; S445-V503 VanDerWaalsContact CA-CG2 3.46Å; I446-V503 HydrophobicContact CD1-CB 4.48Å; I446-V503 HydrophobicContact CD1-CG2 4.12Å; I446-V503 HydrophobicContact CG1-CG2 4.3Å; N499-V503 WeakPolarHBondContact O-CG2 3.36Å; N499-V503 PolarHBondContact O-N 2.97Å; I500-V503 PolarHBondContact O-N 3.31Å; I500-V503 VanDerWaalsContact O-N 3.09Å; L501-V503 VanDerWaalsContact C-N 3.34Å; V503-A505 VanDerWaalsContact C-N 3.35Å; V503-Y506 WeakPolarHBondContact O-CB 3.44Å; V503-Y506 PolarHBondContact O-N 2.92Å; V503-A507 WeakPolarHBondContact O-CB 3.4Å; V503-A507 PolarHBondContact O-N 3.23Å
504	V	97.3	Very high	92.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-46.9	173.3	172.2	0	0	0	0	110.3	L442 Y471 I500 L501 Y506 A507 E508	L442-V504 HydrophobicContact CD2-CG2 3.79Å; Y471-V504 HydrophobicContact CD2-CG1 4.1Å; Y471-V504 HydrophobicContact CE2-CG1 3.96Å; I500-V504 HydrophobicContact CG2-CG2 4.43Å; I500-V504 WeakPolarHBondContact O-CG2 3.48Å; I500-V504 PolarHBondContact O-N 3.35Å; L501-V504 PolarHBondContact O-N 3.05Å; V504-Y506 VanDerWaalsContact C-N 3.32Å; V504-Y506 PolarHBondContact O-N 3.01Å; V504-A507 PolarHBondContact O-N 3.25Å; V504-A507 VanDerWaalsContact O-N 3.13Å; V504-E508 HydrophobicContact CG1-CG 4.28Å; V504-E508 WeakPolarHBondContact O-CB 3.45Å; V504-E508 PolarHBondContact O-N 3.17Å
505	A	96.6	Very high	93.4	Very high	42 Å²	42	24.2 Å²	24.2	35%	0.347	13%	0.133	S	C	.	.	H	α-helix	trans	-60	-41.8	176.1	0	0	0	0	0	111.8	L501 S502 V503 A507 N509 C622	L501-A505 WeakPolarHBondContact O-CB 3.39Å; L501-A505 PolarHBondContact O-N 2.94Å; S502-A505 PolarHBondContact O-N 3.23Å; V503-A505 VanDerWaalsContact C-N 3.35Å; A505-A507 PolarHBondContact O-N 3.46Å; A505-N509 WeakPolarHBondContact O-CB 3.44Å; A505-N509 PolarHBondContact O-N 3.43Å; A505-N509 VanDerWaalsContact O-N 3.07Å; A505-C622 HydrophobicContact CB-CB 4.21Å
506	Y	97.6	Very high	94	Very high	3 Å²	3	24 Å²	24	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-45.1	172.7	169.6	-94.2	0	0	0	112	V344 I446 Y449 L467 S502 V503 V504 N509 R514 V517 L518	V344-Y506 HydrophobicContact CG2-CE1 3.9Å; I446-Y506 HydrophobicContact CD1-CG 4.06Å; Y449-Y506 HydrophobicContact CD1-CE1 4.29Å; Y449-Y506 HydrophobicContact CE1-CD1 4.48Å; Y449-Y506 AromaticContact CE1-CE1 3.62Å; Y449-Y506 HydrophobicContact CE1-CE1 3.62Å; Y449-Y506 AromaticContact CE1-CZ 3.71Å; L467-Y506 HydrophobicContact CD2-CD1 4.39Å; L467-Y506 HydrophobicContact CD2-CE1 4.3Å; S502-Y506 PolarHBondContact O-N 2.76Å; V503-Y506 WeakPolarHBondContact O-CB 3.44Å; V503-Y506 PolarHBondContact O-N 2.92Å; V504-Y506 VanDerWaalsContact C-N 3.32Å; V504-Y506 PolarHBondContact O-N 3.01Å; Y506-N509 WeakPolarHBondContact O-CB 3.19Å; Y506-N509 PolarHBondContact O-N 3.07Å; Y506-R514 HydrophobicContact CE2-CB 4.11Å; Y506-R514 PolarHBondContact O-NH1 3.25Å; Y506-V517 HydrophobicContact CD2-CB 4.17Å; Y506-V517 HydrophobicContact CD2-CG1 3.83Å; Y506-L518 HydrophobicContact CD2-CD2 4.15Å; Y506-L518 HydrophobicContact CD2-CG 4.44Å; Y506-L518 HydrophobicContact CE2-CD1 4.21Å; Y506-L518 HydrophobicContact CE2-CD2 3.85Å; Y506-L518 HydrophobicContact CE2-CG 3.81Å
507	A	97	Very high	94.5	Very high	7 Å²	7	23.8 Å²	23.8	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-72.1	-37.2	-177.1	0	0	0	0	0	113.3	V344 L467 Y469 V503 V504 A505 N509	V344-A507 HydrophobicContact CG1-CB 4.2Å; L467-A507 HydrophobicContact CD2-CB 4.18Å; Y469-A507 HydrophobicContact CD1-CB 4.18Å; Y469-A507 HydrophobicContact CD2-CB 3.3Å; Y469-A507 HydrophobicContact CE1-CB 4.42Å; Y469-A507 HydrophobicContact CE2-CB 3.6Å; Y469-A507 HydrophobicContact CG-CB 3.62Å; V503-A507 WeakPolarHBondContact O-CB 3.4Å; V503-A507 PolarHBondContact O-N 3.23Å; V504-A507 PolarHBondContact O-N 3.25Å; V504-A507 VanDerWaalsContact O-N 3.13Å; A505-A507 PolarHBondContact O-N 3.46Å; A507-N509 VanDerWaalsContact C-N 3.3Å
508	E	94.8	Very high	94.9	Very high	28 Å²	28	20 Å²	20	13%	0.131	12%	0.119	C	C	.	.	H	α-helix	trans	-75	-18.7	176.8	-74.8	-68.3	178.6	0	0	113.4	Y469 V504 V510 R615 H618	Y469-E508 HydrophobicContact CE1-CG 4.23Å; Y469-E508 WeakPolarHBondContact CE1-OE1 3.42Å; Y469-E508 PolarHBondContact OH-OE1 3.01Å; Y469-E508 VanDerWaalsContact OH-OE1 3.12Å; V504-E508 HydrophobicContact CG1-CG 4.28Å; V504-E508 WeakPolarHBondContact O-CB 3.45Å; V504-E508 PolarHBondContact O-N 3.17Å; E508-V510 PolarHBondContact O-N 3.39Å; E508-R615 WeakPolarHBondContact OE2-CG 3.49Å; E508-R615 IonicContact OE2-NE 2.92Å; E508-R615 PolarHBondContact OE2-NE 2.93Å; E508-H618 HydrophobicContact CG-CB 4.2Å; E508-H618 IonicContact OE1-CE1 3.61Å; E508-H618 IonicContact OE1-CG 3.26Å; E508-H618 IonicContact OE1-ND1 3.24Å; E508-H618 PolarHBondContact OE1-ND1 3.11Å
509	N	93.5	Very high	95.1	Very high	33 Å²	33	16.9 Å²	16.9	18%	0.176	11%	0.105	C	C	.	.			trans	-63.2	129.6	176	-167.5	-26.3	0	0	0	110.4	A505 Y506 A507 G511 V512 R514	A505-N509 WeakPolarHBondContact O-CB 3.44Å; A505-N509 PolarHBondContact O-N 3.43Å; A505-N509 VanDerWaalsContact O-N 3.07Å; Y506-N509 WeakPolarHBondContact O-CB 3.19Å; Y506-N509 PolarHBondContact O-N 3.07Å; A507-N509 VanDerWaalsContact C-N 3.3Å; N509-G511 PolarHBondContact OD1-N 2.64Å; N509-V512 WeakPolarHBondContact ND2-CB 3.42Å; N509-V512 PolarHBondContact OD1-N 2.97Å; N509-R514 PolarHBondContact O-NH1 2.76Å; N509-R514 PolarHBondContact O-NH2 3.38Å
510	V	92.7	Very high	95.1	Very high	25 Å²	25	18.5 Å²	18.5	15%	0.152	11%	0.112	C	C	.	.			trans	-125.5	-7.8	177	-67.6	0	0	0	0	113.2	E508 V541 P548	E508-V510 PolarHBondContact O-N 3.39Å; V510-V541 WeakPolarHBondContact O-CG1 2.98Å; V510-P548 HydrophobicContact CB-CG 4.03Å; V510-P548 HydrophobicContact CG2-CB 4.11Å; V510-P548 HydrophobicContact CG2-CG 3.74Å; V510-P548 WeakPolarHBondContact O-CD 3.43Å; V510-P548 WeakPolarHBondContact O-CG 3.46Å
511	G	91.8	Very high	95	Very high	21 Å²	21	21.1 Å²	21.1	22%	0.216	12%	0.124	C	C	.	.	S	Bend	trans	-110.2	-27.6	-173.9	0	0	0	0	0	114.9	N509	N509-G511 PolarHBondContact OD1-N 2.64Å
512	V	93.3	Very high	94.8	Very high	28 Å²	28	20 Å²	20	17%	0.17	12%	0.118	C	C	.	.	S	Bend	trans	-99.8	138.6	-178.2	-168.7	0	0	0	0	110.6	N509 R514 K516 V517 Y661	N509-V512 WeakPolarHBondContact ND2-CB 3.42Å; N509-V512 PolarHBondContact OD1-N 2.97Å; V512-R514 PolarHBondContact O-N 3.07Å; V512-K516 HydrophobicContact CG1-CB 4.41Å; V512-K516 HydrophobicContact CG1-CD 4.11Å; V512-K516 HydrophobicContact CG1-CG 4.47Å; V512-V517 HydrophobicContact CB-CG2 4.23Å; V512-V517 HydrophobicContact CG1-CG2 4.01Å; V512-Y661 HydrophobicContact CG2-CE2 3.78Å
513	C	95.9	Very high	94.5	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.027	11%	0.108	C	C	.	.			trans	-50.7	129.2	176.5	176.6	0	0	0	0	112.2	R515 K516 V517 C531 C542	C513-R515 VanDerWaalsContact C-N 3.3Å; C513-R515 PolarHBondContact O-N 3.45Å; C513-K516 HydrophobicContact CB-CB 3.87Å; C513-K516 WeakPolarHBondContact O-CB 3.5Å; C513-K516 PolarHBondContact O-N 3.12Å; C513-K516 VanDerWaalsContact O-N 3.11Å; C513-V517 PolarHBondContact O-N 3.02Å; C513-V517 VanDerWaalsContact O-N 3.12Å; C513-C531 VanDerWaalsContact SG-CB 3.56Å; C513-C531 VanDerWaalsContact SG-SG 3.64Å; C513-C542 VanDerWaalsContact CB-SG 3.6Å
514	R	97.5	Very high	94.2	Very high	8 Å²	8	18.7 Å²	18.7	3%	0.03	11%	0.109	C	C	.	.	H	α-helix	trans	-56.7	-43.1	178.7	-58.2	-62.6	-174.9	-162.6	-9.7	112.5	Y342 Y506 N509 V512 V517 L518 C539 D540 V541	Y342-R514 HydrophobicContact CG-CB 4.5Å; Y506-R514 HydrophobicContact CE2-CB 4.11Å; Y506-R514 PolarHBondContact O-NH1 3.25Å; N509-R514 PolarHBondContact O-NH1 2.76Å; N509-R514 PolarHBondContact O-NH2 3.38Å; V512-R514 PolarHBondContact O-N 3.07Å; R514-V517 PolarHBondContact O-N 3.38Å; R514-L518 WeakPolarHBondContact O-CG 3.41Å; R514-L518 PolarHBondContact O-N 3.37Å; R514-C539 HydrophobicContact CB-CB 3.76Å; R514-C539 HydrophobicContact CG-CB 3.73Å; R514-C539 PolarHBondContact N-SG 3.39Å; R514-C539 VanDerWaalsContact N-SG 3.41Å; R514-D540 WeakPolarHBondContact CG-OD1 3.45Å; R514-D540 IonicContact CZ-OD1 3.29Å; R514-D540 IonicContact CZ-OD2 2.7Å; R514-D540 IonicContact NE-OD1 3.01Å; R514-D540 PolarHBondContact NE-OD1 2.57Å; R514-D540 IonicContact NE-OD2 2.71Å; R514-D540 PolarHBondContact NE-OD2 3.24Å; R514-D540 IonicContact NH2-OD1 2.84Å; R514-D540 IonicContact NH2-OD2 2.92Å; R514-D540 PolarHBondContact NH2-OD2 3.18Å; R514-V541 HydrophobicContact CG-CG2 4.42Å
515	R	96.2	Very high	94	Very high	8 Å²	8	18.9 Å²	18.9	3%	0.03	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-43	178	-69.7	-178.6	-178.9	134.6	-14.4	111.2	S338 L340 Y342 C513 V517 L518 V519 Y526 C531 T537	S338-R515 PolarHBondContact O-NH2 2.89Å; L340-R515 PolarHBondContact O-NE 2.73Å; L340-R515 PolarHBondContact O-NH2 3.31Å; Y342-R515 HydrophobicContact CD2-CG 4.06Å; Y342-R515 HydrophobicContact CE2-CG 4.27Å; C513-R515 VanDerWaalsContact C-N 3.3Å; C513-R515 PolarHBondContact O-N 3.45Å; R515-V517 VanDerWaalsContact C-N 3.35Å; R515-V517 PolarHBondContact O-N 3.32Å; R515-L518 PolarHBondContact O-N 3.13Å; R515-V519 VanDerWaalsContact O-CB 3.24Å; R515-V519 WeakPolarHBondContact O-CB 3.35Å; R515-V519 WeakPolarHBondContact O-CG2 3.33Å; R515-V519 PolarHBondContact O-N 3.25Å; R515-Y526 HydrophobicContact CB-CD1 4.39Å; R515-Y526 HydrophobicContact CB-CE1 3.85Å; R515-C531 PolarHBondContact NH1-SG 2.75Å; R515-T537 VanDerWaalsContact CZ-O 3.31Å; R515-T537 PolarHBondContact NH1-O 3.35Å; R515-T537 VanDerWaalsContact NH2-CB 3.26Å; R515-T537 PolarHBondContact NH2-O 3.37Å; R515-T537 PolarHBondContact NH2-OG1 2.77Å
516	K	95.3	Very high	93.8	Very high	17 Å²	17	17.2 Å²	17.2	7%	0.074	10%	0.095	C	C	.	.	H	α-helix	trans	-54.8	-51.9	175.8	-173.3	172.5	-175.1	176.2	0	110.6	V512 C513 L518 V519 E520 Y526 E738	V512-K516 HydrophobicContact CG1-CB 4.41Å; V512-K516 HydrophobicContact CG1-CD 4.11Å; V512-K516 HydrophobicContact CG1-CG 4.47Å; C513-K516 HydrophobicContact CB-CB 3.87Å; C513-K516 WeakPolarHBondContact O-CB 3.5Å; C513-K516 PolarHBondContact O-N 3.12Å; C513-K516 VanDerWaalsContact O-N 3.11Å; K516-L518 PolarHBondContact O-N 2.93Å; K516-V519 PolarHBondContact O-N 3.37Å; K516-E520 VanDerWaalsContact CE-CD 3.48Å; K516-E520 WeakPolarHBondContact CE-OE1 3.15Å; K516-E520 WeakPolarHBondContact CE-OE2 3.04Å; K516-E520 VanDerWaalsContact CG-CD 3.47Å; K516-E520 HydrophobicContact CG-CG 4.14Å; K516-E520 VanDerWaalsContact O-CB 3.23Å; K516-E520 WeakPolarHBondContact O-CB 3.45Å; K516-E520 VanDerWaalsContact O-CG 3.3Å; K516-E520 WeakPolarHBondContact O-CG 3.35Å; K516-E520 PolarHBondContact O-N 3.35Å; K516-Y526 HydrophobicContact CB-CD1 3.92Å; K516-E738 IonicContact NZ-OE1 3.67Å; K516-E738 PolarHBondContact NZ-OE1 2.6Å
517	V	95.6	Very high	93.6	Very high	41 Å²	41	17.2 Å²	17.2	25%	0.248	10%	0.095	C	C	.	.	H	α-helix	trans	-59.2	-45	179.3	-178.6	0	0	0	0	112.3	Y506 V512 C513 R514 R515 H521	Y506-V517 HydrophobicContact CD2-CB 4.17Å; Y506-V517 HydrophobicContact CD2-CG1 3.83Å; V512-V517 HydrophobicContact CB-CG2 4.23Å; V512-V517 HydrophobicContact CG1-CG2 4.01Å; C513-V517 PolarHBondContact O-N 3.02Å; C513-V517 VanDerWaalsContact O-N 3.12Å; R514-V517 PolarHBondContact O-N 3.38Å; R515-V517 VanDerWaalsContact C-N 3.35Å; R515-V517 PolarHBondContact O-N 3.32Å; V517-H521 WeakPolarHBondContact O-CB 3.39Å; V517-H521 PolarHBondContact O-N 3.06Å
518	L	95.7	Very high	93.3	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-70.3	-41.3	-178.4	-66.4	174.5	0	0	0	113.1	Y342 I446 Y449 Y506 R514 R515 K516 H521 F522	Y342-L518 HydrophobicContact CD1-CD1 3.76Å; Y342-L518 HydrophobicContact CD2-CD1 4.31Å; Y342-L518 HydrophobicContact CE1-CD1 3.48Å; Y342-L518 VanDerWaalsContact CE1-CD1 3.48Å; Y342-L518 HydrophobicContact CE2-CD1 4.06Å; Y342-L518 HydrophobicContact CG-CD1 4.16Å; I446-L518 HydrophobicContact CG2-CD2 3.88Å; Y449-L518 HydrophobicContact CD1-CD2 3.91Å; Y449-L518 HydrophobicContact CE1-CD1 4.26Å; Y449-L518 HydrophobicContact CE1-CD2 4.24Å; Y506-L518 HydrophobicContact CD2-CD2 4.15Å; Y506-L518 HydrophobicContact CD2-CG 4.44Å; Y506-L518 HydrophobicContact CE2-CD1 4.21Å; Y506-L518 HydrophobicContact CE2-CD2 3.85Å; Y506-L518 HydrophobicContact CE2-CG 3.81Å; R514-L518 WeakPolarHBondContact O-CG 3.41Å; R514-L518 PolarHBondContact O-N 3.37Å; R515-L518 PolarHBondContact O-N 3.13Å; K516-L518 PolarHBondContact O-N 2.93Å; L518-H521 WeakPolarHBondContact O-CB 3.33Å; L518-F522 WeakPolarHBondContact O-CD2 3.37Å
519	V	93.9	Very high	93.1	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-74.6	-43.4	-176.3	172.8	0	0	0	0	110.4	F335 V336 R515 K516 H521 F522 E524 Y526	F335-V519 HydrophobicContact CB-CG2 4.47Å; V336-V519 HydrophobicContact CG2-CG1 4.12Å; V336-V519 HydrophobicContact CG2-CG2 3.99Å; R515-V519 VanDerWaalsContact O-CB 3.24Å; R515-V519 WeakPolarHBondContact O-CB 3.35Å; R515-V519 WeakPolarHBondContact O-CG2 3.33Å; R515-V519 PolarHBondContact O-N 3.25Å; K516-V519 PolarHBondContact O-N 3.37Å; V519-H521 PolarHBondContact O-N 3.36Å; V519-F522 PolarHBondContact O-N 3.21Å; V519-E524 CarbonylContact C-O 3.53Å; V519-E524 HydrophobicContact CG1-CB 3.51Å; V519-E524 HydrophobicContact CG1-CG 3.58Å; V519-E524 PolarHBondContact O-N 3.34Å; V519-Y526 HydrophobicContact CB-CD2 4.43Å; V519-Y526 HydrophobicContact CB-CG 4.41Å; V519-Y526 HydrophobicContact CG1-CD2 4.16Å; V519-Y526 HydrophobicContact CG1-CG 4.36Å; V519-Y526 HydrophobicContact CG2-CD2 4.38Å
520	E	92.5	Very high	93.1	Very high	57 Å²	57	17.6 Å²	17.6	27%	0.266	11%	0.106	S	C	.	.	H	α-helix	trans	-67.7	-24.5	177	-69.8	-176	166	0	0	113	K516 F522 G523 E524	K516-E520 VanDerWaalsContact CE-CD 3.48Å; K516-E520 WeakPolarHBondContact CE-OE1 3.15Å; K516-E520 WeakPolarHBondContact CE-OE2 3.04Å; K516-E520 VanDerWaalsContact CG-CD 3.47Å; K516-E520 HydrophobicContact CG-CG 4.14Å; K516-E520 VanDerWaalsContact O-CB 3.23Å; K516-E520 WeakPolarHBondContact O-CB 3.45Å; K516-E520 VanDerWaalsContact O-CG 3.3Å; K516-E520 WeakPolarHBondContact O-CG 3.35Å; K516-E520 PolarHBondContact O-N 3.35Å; E520-F522 PolarHBondContact O-N 2.83Å; E520-G523 PolarHBondContact O-N 3.41Å; E520-E524 VanDerWaalsContact CA-O 3.25Å; E520-E524 WeakPolarHBondContact CA-O 3.12Å; E520-E524 VanDerWaalsContact CG-O 3.27Å; E520-E524 WeakPolarHBondContact CG-O 3.39Å; E520-E524 PolarHBondContact N-O 2.72Å
521	H	91.7	Very high	93.2	Very high	57 Å²	57	16.4 Å²	16.4	26%	0.264	10%	0.099	S	C	.	.	H	α-helix	trans	-57.5	-31.8	171	-171.9	81.4	0	0	0	112.3	I446 E447 V517 L518 V519	I446-H521 HydrophobicContact CG2-CB 3.99Å; E447-H521 VanDerWaalsContact CD-NE2 3.34Å; E447-H521 IonicContact OE1-CD2 3.81Å; E447-H521 IonicContact OE1-CE1 2.85Å; E447-H521 IonicContact OE1-NE2 2.8Å; E447-H521 PolarHBondContact OE1-NE2 2.84Å; E447-H521 IonicContact OE2-NE2 2.81Å; V517-H521 WeakPolarHBondContact O-CB 3.39Å; V517-H521 PolarHBondContact O-N 3.06Å; L518-H521 WeakPolarHBondContact O-CB 3.33Å; V519-H521 PolarHBondContact O-N 3.36Å
522	F	89.9	Confident	93.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.3	175.5	-60.5	-71.8	0	0	0	113.7	T312 F335 E447 Y450 L518 V519 E520	T312-F522 HydrophobicContact CG2-CD1 4.41Å; F335-F522 HydrophobicContact CB-CD2 4.37Å; F335-F522 HydrophobicContact CD1-CB 3.78Å; F335-F522 HydrophobicContact CD1-CD1 4.19Å; F335-F522 AromaticContact CD1-CD2 3.47Å; F335-F522 HydrophobicContact CD1-CD2 3.47Å; F335-F522 VanDerWaalsContact CD1-CD2 3.47Å; F335-F522 HydrophobicContact CD1-CE2 4.09Å; F335-F522 AromaticContact CD1-CG 3.53Å; F335-F522 HydrophobicContact CD1-CG 3.53Å; F335-F522 HydrophobicContact CD2-CB 3.79Å; F335-F522 HydrophobicContact CD2-CG 4.47Å; F335-F522 HydrophobicContact CE1-CB 3.67Å; F335-F522 AromaticContact CE1-CD1 3.69Å; F335-F522 HydrophobicContact CE1-CD1 3.69Å; F335-F522 AromaticContact CE1-CD2 3.87Å; F335-F522 HydrophobicContact CE1-CD2 3.87Å; F335-F522 HydrophobicContact CE1-CE1 4.31Å; F335-F522 HydrophobicContact CE1-CE2 4.45Å; F335-F522 AromaticContact CE1-CG 3.45Å; F335-F522 HydrophobicContact CE1-CG 3.45Å; F335-F522 VanDerWaalsContact CE1-CG 3.45Å; F335-F522 HydrophobicContact CE2-CB 3.71Å; F335-F522 HydrophobicContact CE2-CG 4.41Å; F335-F522 HydrophobicContact CG-CB 3.83Å; F335-F522 AromaticContact CG-CD2 3.98Å; F335-F522 HydrophobicContact CG-CD2 3.98Å; F335-F522 HydrophobicContact CG-CG 4.05Å; F335-F522 HydrophobicContact CZ-CB 3.62Å; F335-F522 HydrophobicContact CZ-CD1 4.16Å; F335-F522 AromaticContact CZ-CG 3.91Å; F335-F522 HydrophobicContact CZ-CG 3.91Å; E447-F522 HydrophobicContact CG-CE1 4.15Å; E447-F522 HydrophobicContact CG-CZ 4.47Å; Y450-F522 AromaticContact CD1-CE2 3.67Å; Y450-F522 HydrophobicContact CD1-CE2 3.67Å; Y450-F522 AromaticContact CD1-CZ 3.73Å; Y450-F522 HydrophobicContact CD1-CZ 3.73Å; Y450-F522 AromaticContact CD2-CE2 3.9Å; Y450-F522 HydrophobicContact CD2-CE2 3.9Å; Y450-F522 HydrophobicContact CE1-CE2 4.14Å; Y450-F522 HydrophobicContact CE1-CZ 4.43Å; Y450-F522 HydrophobicContact CE2-CE2 4.36Å; Y450-F522 AromaticContact CG-CE2 3.53Å; Y450-F522 HydrophobicContact CG-CE2 3.53Å; Y450-F522 AromaticContact CG-CZ 3.86Å; Y450-F522 HydrophobicContact CG-CZ 3.86Å; L518-F522 WeakPolarHBondContact O-CD2 3.37Å; V519-F522 PolarHBondContact O-N 3.21Å; E520-F522 PolarHBondContact O-N 2.83Å
523	G	88.8	Confident	93.1	Very high	4 Å²	4	23.1 Å²	23.1	4%	0.041	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	4.3	175.4	0	0	0	0	0	115.3	F111 R112 E520	F111-G523 WeakPolarHBondContact CA-O 3.27Å; R112-G523 PolarHBondContact N-O 3.35Å; E520-G523 PolarHBondContact O-N 3.41Å
524	E	91.5	Very high	92.9	Very high	3 Å²	3	26 Å²	26	1%	0.014	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-85	129.2	172.5	-179.3	176.7	178.4	0	0	110.4	F111 T334 F335 V519 E520	F111-E524 HydrophobicContact CD1-CB 3.92Å; F111-E524 HydrophobicContact CE1-CB 3.51Å; F111-E524 HydrophobicContact CE1-CG 4.26Å; F111-E524 HydrophobicContact CE2-CG 4.49Å; F111-E524 HydrophobicContact CZ-CB 3.85Å; F111-E524 HydrophobicContact CZ-CG 4.11Å; T334-E524 VanDerWaalsContact CA-OE2 3.3Å; T334-E524 WeakPolarHBondContact CA-OE2 3.38Å; T334-E524 WeakPolarHBondContact CB-OE1 3.3Å; T334-E524 PolarHBondContact OG1-OE1 2.9Å; T334-E524 PolarHBondContact OG1-OE2 3.19Å; F335-E524 PolarHBondContact N-OE2 3.37Å; V519-E524 CarbonylContact C-O 3.53Å; V519-E524 HydrophobicContact CG1-CB 3.51Å; V519-E524 HydrophobicContact CG1-CG 3.58Å; V519-E524 PolarHBondContact O-N 3.34Å; E520-E524 VanDerWaalsContact CA-O 3.25Å; E520-E524 WeakPolarHBondContact CA-O 3.12Å; E520-E524 VanDerWaalsContact CG-O 3.27Å; E520-E524 WeakPolarHBondContact CG-O 3.39Å; E520-E524 PolarHBondContact N-O 2.72Å
525	I	91.5	Very high	92.7	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	17%	0.172	C	C	.	.			trans	-78.5	128	179.4	-62.8	159.4	0	0	0	109.1	A107 G109 K110 R112 R734 T735	A107-I525 HydrophobicContact CB-CD1 3.59Å; A107-I525 HydrophobicContact CB-CG2 4.22Å; A107-I525 WeakPolarHBondContact O-CB 3.08Å; G109-I525 PolarHBondContact N-O 2.87Å; K110-I525 PolarHBondContact O-N 3.46Å; R112-I525 HydrophobicContact CG-CD1 4.24Å; R112-I525 HydrophobicContact CG-CG1 4.15Å; I525-R734 HydrophobicContact CG2-CB 4.15Å; I525-T735 HydrophobicContact CG2-CG2 3.72Å
526	Y	93.1	Very high	92.5	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	20%	0.195	C	C	.	.			trans	-127.8	121	-173.3	-171.9	-90.1	0	0	0	112.7	H108 V336 R515 K516 V519 A530 C531	H108-Y526 AromaticContact CE1-CD2 3.71Å; H108-Y526 AromaticContact CE1-CE2 3.93Å; V336-Y526 HydrophobicContact CB-CE2 4.43Å; V336-Y526 HydrophobicContact CG1-CE2 3.96Å; V336-Y526 HydrophobicContact CG2-CD2 3.55Å; V336-Y526 HydrophobicContact CG2-CE2 3.52Å; R515-Y526 HydrophobicContact CB-CD1 4.39Å; R515-Y526 HydrophobicContact CB-CE1 3.85Å; K516-Y526 HydrophobicContact CB-CD1 3.92Å; V519-Y526 HydrophobicContact CB-CD2 4.43Å; V519-Y526 HydrophobicContact CB-CG 4.41Å; V519-Y526 HydrophobicContact CG1-CD2 4.16Å; V519-Y526 HydrophobicContact CG1-CG 4.36Å; V519-Y526 HydrophobicContact CG2-CD2 4.38Å; Y526-A530 HydrophobicContact CE2-CB 4.4Å; Y526-C531 HydrophobicContact CE1-CB 4.14Å; Y526-C531 PolarHBondContact OH-N 2.81Å
527	D	92.8	Very high	92.5	Very high	3 Å²	3	33 Å²	33	2%	0.016	19%	0.193	C	C	.	.			trans	-81.5	121	172.8	-165.8	-29.5	0	0	0	110	H108 A529 A530 T735 Q736 S737	H108-D527 HydrophobicContact CB-CB 4.16Å; H108-D527 PolarHBondContact ND1-N 2.99Å; D527-A529 PolarHBondContact O-N 3.18Å; D527-A529 VanDerWaalsContact O-N 3.15Å; D527-A529 WeakPolarHBondContact OD1-CB 3.34Å; D527-A529 PolarHBondContact OD1-N 3.33Å; D527-A530 WeakPolarHBondContact O-CB 3.46Å; D527-A530 PolarHBondContact O-N 3.26Å; D527-T735 HydrophobicContact CB-CG2 3.95Å; D527-Q736 PolarHBondContact OD2-N 3.07Å; D527-S737 WeakPolarHBondContact OD1-CB 3.24Å; D527-S737 PolarHBondContact OD1-OG 3.4Å; D527-S737 PolarHBondContact OD2-N 3.19Å; D527-S737 PolarHBondContact OD2-OG 3.03Å
528	S	91.2	Very high	92.6	Very high	24 Å²	24	31 Å²	31	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-22.6	177.4	73.7	0	0	0	0	113.8	A530 C531 K532	S528-A530 PolarHBondContact O-N 3.46Å; S528-C531 WeakPolarHBondContact O-CB 3.39Å; S528-C531 PolarHBondContact O-N 3.04Å; S528-K532 PolarHBondContact O-N 3.1Å
529	A	91.3	Very high	92.7	Very high	30 Å²	30	30.9 Å²	30.9	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-35.7	172.8	0	0	0	0	0	112	L103 D527 C531 K532 A533 S737	L103-A529 HydrophobicContact CD2-CB 3.9Å; D527-A529 PolarHBondContact O-N 3.18Å; D527-A529 VanDerWaalsContact O-N 3.15Å; D527-A529 WeakPolarHBondContact OD1-CB 3.34Å; D527-A529 PolarHBondContact OD1-N 3.33Å; A529-C531 PolarHBondContact O-N 3.06Å; A529-K532 CarbonylContact O-C 3.6Å; A529-K532 WeakPolarHBondContact O-CA 3.47Å; A529-K532 PolarHBondContact O-N 3.01Å; A529-A533 PolarHBondContact O-N 3.19Å; A529-S737 WeakPolarHBondContact CB-OG 3.4Å
530	A	92.9	Very high	92.9	Very high	22 Å²	22	32 Å²	32	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-33.3	175.6	0	0	0	0	0	112.1	L103 Y526 D527 S528 K532	L103-A530 HydrophobicContact CD1-CB 4.18Å; L103-A530 HydrophobicContact CD2-CB 4.12Å; Y526-A530 HydrophobicContact CE2-CB 4.4Å; D527-A530 WeakPolarHBondContact O-CB 3.46Å; D527-A530 PolarHBondContact O-N 3.26Å; S528-A530 PolarHBondContact O-N 3.46Å; A530-K532 VanDerWaalsContact C-N 3.34Å
531	C	94.9	Very high	93	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.7	-30.7	173.5	-178.3	0	0	0	0	112.2	C513 R515 Y526 S528 A529 A538 C542	C513-C531 VanDerWaalsContact SG-CB 3.56Å; C513-C531 VanDerWaalsContact SG-SG 3.64Å; R515-C531 PolarHBondContact NH1-SG 2.75Å; Y526-C531 HydrophobicContact CE1-CB 4.14Å; Y526-C531 PolarHBondContact OH-N 2.81Å; S528-C531 WeakPolarHBondContact O-CB 3.39Å; S528-C531 PolarHBondContact O-N 3.04Å; A529-C531 PolarHBondContact O-N 3.06Å; C531-A538 WeakPolarHBondContact O-CB 3.46Å; C531-C542 VanDerWaalsContact SG-SG 3.62Å
532	K	91.4	Very high	93.2	Very high	111 Å²	111	28.3 Å²	28.3	48%	0.483	17%	0.172	S	C	.	.	H	α-helix	trans	-81.5	-21.2	178.9	-65.8	175.2	-177	174.8	0	112.5	S528 A529 A530 D534 M535 C542	S528-K532 PolarHBondContact O-N 3.1Å; A529-K532 CarbonylContact O-C 3.6Å; A529-K532 WeakPolarHBondContact O-CA 3.47Å; A529-K532 PolarHBondContact O-N 3.01Å; A530-K532 VanDerWaalsContact C-N 3.34Å; K532-D534 VanDerWaalsContact C-N 3.29Å; K532-D534 PolarHBondContact O-N 2.97Å; K532-M535 HydrophobicContact CB-CE 3.93Å; K532-M535 HydrophobicContact CG-CE 4.4Å; K532-M535 WeakPolarHBondContact O-CE 3.4Å; K532-C542 HydrophobicContact CG-CB 3.99Å
533	A	91.7	Very high	93.4	Very high	79 Å²	79	30.9 Å²	30.9	65%	0.653	19%	0.185	S	C	*	.	H	α-helix	trans	-64.3	-32.6	179.3	0	0	0	0	0	112.9	A529	A529-A533 PolarHBondContact O-N 3.19Å
534	D	92.2	Very high	93.5	Very high	64 Å²	64	34 Å²	34	34%	0.342	20%	0.201	S	C	.	.			trans	-116.2	94.5	175.8	175.6	19.1	0	0	0	111.4	K532 S536 T537 A538	K532-D534 VanDerWaalsContact C-N 3.29Å; K532-D534 PolarHBondContact O-N 2.97Å; D534-S536 VanDerWaalsContact CG-OG 3.32Å; D534-S536 PolarHBondContact O-N 2.89Å; D534-S536 VanDerWaalsContact OD1-CB 3.31Å; D534-S536 WeakPolarHBondContact OD1-CB 3.21Å; D534-S536 PolarHBondContact OD1-N 3.08Å; D534-S536 PolarHBondContact OD1-OG 3.16Å; D534-S536 PolarHBondContact OD2-OG 3.49Å; D534-T537 PolarHBondContact O-N 2.9Å; D534-T537 WeakPolarHBondContact OD2-CG2 3.3Å; D534-T537 PolarHBondContact OD2-OG1 3.06Å; D534-A538 WeakPolarHBondContact O-CB 3.24Å; D534-A538 PolarHBondContact O-N 3.39Å
535	M	92.2	Very high	93.3	Very high	102 Å²	102	45.1 Å²	45.1	50%	0.502	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.5	178.5	-75.5	-66.5	118.5	0	0	113.9	K532 T537 A538	K532-M535 HydrophobicContact CB-CE 3.93Å; K532-M535 HydrophobicContact CG-CE 4.4Å; K532-M535 WeakPolarHBondContact O-CE 3.4Å; M535-T537 PolarHBondContact O-N 2.91Å; M535-A538 HydrophobicContact CE-CB 3.89Å; M535-A538 HydrophobicContact SD-CB 4.16Å
536	S	92.6	Very high	93.1	Very high	73 Å²	73	51.4 Å²	51.4	51%	0.51	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-30	179.3	76.6	0	0	0	0	111.8	D534	D534-S536 VanDerWaalsContact CG-OG 3.32Å; D534-S536 PolarHBondContact O-N 2.89Å; D534-S536 VanDerWaalsContact OD1-CB 3.31Å; D534-S536 WeakPolarHBondContact OD1-CB 3.21Å; D534-S536 PolarHBondContact OD1-N 3.08Å; D534-S536 PolarHBondContact OD1-OG 3.16Å; D534-S536 PolarHBondContact OD2-OG 3.49Å
537	T	95.8	Very high	92.7	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.025	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-3	-179.3	67.9	0	0	0	0	113.5	S338 R341 P462 R515 D534 M535 C539	S338-T537 WeakPolarHBondContact O-CB 3.23Å; S338-T537 WeakPolarHBondContact O-CG2 3.27Å; S338-T537 PolarHBondContact O-OG1 3.13Å; R341-T537 WeakPolarHBondContact CA-O 3.35Å; P462-T537 HydrophobicContact CB-CG2 4.43Å; R515-T537 VanDerWaalsContact CZ-O 3.31Å; R515-T537 PolarHBondContact NH1-O 3.35Å; R515-T537 VanDerWaalsContact NH2-CB 3.26Å; R515-T537 PolarHBondContact NH2-O 3.37Å; R515-T537 PolarHBondContact NH2-OG1 2.77Å; D534-T537 PolarHBondContact O-N 2.9Å; D534-T537 WeakPolarHBondContact OD2-CG2 3.3Å; D534-T537 PolarHBondContact OD2-OG1 3.06Å; M535-T537 PolarHBondContact O-N 2.91Å; T537-C539 PolarHBondContact O-N 2.96Å
538	A	97	Very high	92.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.305	C	S	.	.			trans	-49.2	138.1	178.9	0	0	0	0	0	112.7	R341 C531 D534 M535 C542 M543	R341-A538 WeakPolarHBondContact CG-O 3.2Å; R341-A538 PolarHBondContact NE-O 3.22Å; C531-A538 WeakPolarHBondContact O-CB 3.46Å; D534-A538 WeakPolarHBondContact O-CB 3.24Å; D534-A538 PolarHBondContact O-N 3.39Å; M535-A538 HydrophobicContact CE-CB 3.89Å; M535-A538 HydrophobicContact SD-CB 4.16Å; A538-C542 HydrophobicContact CB-CB 4.49Å; A538-M543 HydrophobicContact CB-CG 3.63Å; A538-M543 HydrophobicContact CB-SD 4.33Å; A538-M543 VanDerWaalsContact O-CE 3.24Å; A538-M543 WeakPolarHBondContact O-CE 3.43Å
539	C	98	Very high	92.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.			trans	-70.2	160.6	179.6	74.9	0	0	0	0	111.9	Y342 R514 T537 V541 C542 M543	Y342-C539 WeakPolarHBondContact O-CA 3.14Å; Y342-C539 WeakPolarHBondContact O-CB 3.37Å; R514-C539 HydrophobicContact CB-CB 3.76Å; R514-C539 HydrophobicContact CG-CB 3.73Å; R514-C539 PolarHBondContact N-SG 3.39Å; R514-C539 VanDerWaalsContact N-SG 3.41Å; T537-C539 PolarHBondContact O-N 2.96Å; C539-V541 VanDerWaalsContact C-N 3.28Å; C539-V541 PolarHBondContact O-N 3.38Å; C539-C542 PolarHBondContact O-N 2.9Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å; C539-M543 WeakPolarHBondContact O-CG 3.48Å; C539-M543 PolarHBondContact O-N 3.49Å
540	D	97	Very high	92.4	Very high	27 Å²	27	55.3 Å²	55.3	14%	0.144	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-45	179.8	61.6	-15.7	0	0	0	114.4	Y342 K343 V344 R514 M543 N544	Y342-D540 PolarHBondContact O-N 2.98Å; K343-D540 HydrophobicContact CB-CB 4.23Å; K343-D540 HydrophobicContact CG-CB 3.98Å; V344-D540 PolarHBondContact N-OD2 3.36Å; R514-D540 WeakPolarHBondContact CG-OD1 3.45Å; R514-D540 IonicContact CZ-OD1 3.29Å; R514-D540 IonicContact CZ-OD2 2.7Å; R514-D540 IonicContact NE-OD1 3.01Å; R514-D540 PolarHBondContact NE-OD1 2.57Å; R514-D540 IonicContact NE-OD2 2.71Å; R514-D540 PolarHBondContact NE-OD2 3.24Å; R514-D540 IonicContact NH2-OD1 2.84Å; R514-D540 IonicContact NH2-OD2 2.92Å; R514-D540 PolarHBondContact NH2-OD2 3.18Å; D540-M543 PolarHBondContact O-N 3.32Å; D540-N544 PolarHBondContact O-N 2.93Å
541	V	95.8	Very high	92.3	Very high	18 Å²	18	55.8 Å²	55.8	11%	0.109	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-47.5	177.7	175.5	0	0	0	0	111.9	V510 R514 C539 M543 N544	V510-V541 WeakPolarHBondContact O-CG1 2.98Å; R514-V541 HydrophobicContact CG-CG2 4.42Å; C539-V541 VanDerWaalsContact C-N 3.28Å; C539-V541 PolarHBondContact O-N 3.38Å; V541-M543 PolarHBondContact O-N 3.07Å; V541-N544 WeakPolarHBondContact O-CB 3.34Å; V541-N544 PolarHBondContact O-N 3.18Å
542	C	95.2	Very high	92.2	Very high	19 Å²	19	57.8 Å²	57.8	13%	0.128	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.3	-179	-71.6	0	0	0	0	113.5	C513 C531 K532 A538 C539	C513-C542 VanDerWaalsContact CB-SG 3.6Å; C531-C542 VanDerWaalsContact SG-SG 3.62Å; K532-C542 HydrophobicContact CG-CB 3.99Å; A538-C542 HydrophobicContact CB-CB 4.49Å; C539-C542 PolarHBondContact O-N 2.9Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å
543	M	94.8	Very high	92.2	Very high	54 Å²	54	52.8 Å²	52.8	27%	0.266	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.3	175.4	-67.1	-175.3	-61.1	0	0	113.3	R341 A538 C539 D540 V541 R545	R341-M543 VanDerWaalsContact CZ-SD 3.58Å; R341-M543 PolarHBondContact NH2-SD 3.46Å; A538-M543 HydrophobicContact CB-CG 3.63Å; A538-M543 HydrophobicContact CB-SD 4.33Å; A538-M543 VanDerWaalsContact O-CE 3.24Å; A538-M543 WeakPolarHBondContact O-CE 3.43Å; C539-M543 WeakPolarHBondContact O-CG 3.48Å; C539-M543 PolarHBondContact O-N 3.49Å; D540-M543 PolarHBondContact O-N 3.32Å; V541-M543 PolarHBondContact O-N 3.07Å; M543-R545 PolarHBondContact O-N 3.09Å; M543-R545 VanDerWaalsContact O-N 3.16Å
544	N	91	Very high	92.3	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	26%	0.26	S	S	.	.			trans	-68	116.1	-179.4	-174.1	2.4	0	0	0	109.8	D540 V541 N546	D540-N544 PolarHBondContact O-N 2.93Å; V541-N544 WeakPolarHBondContact O-CB 3.34Å; V541-N544 PolarHBondContact O-N 3.18Å; N544-N546 PolarHBondContact ND2-O 3.12Å; N544-N546 PolarHBondContact O-N 3.11Å; N544-N546 PolarHBondContact OD1-N 3Å; N544-N546 PolarHBondContact OD1-O 2.97Å
545	R	86.9	Confident	92.5	Very high	236 Å²	236	51.6 Å²	51.6	89%	0.891	27%	0.267	S	S	*	.	S	Bend	trans	-69.2	-24.2	178.1	-63.8	-175.3	179.9	-173.9	-1.2	112.8	M543 P547	M543-R545 PolarHBondContact O-N 3.09Å; M543-R545 VanDerWaalsContact O-N 3.16Å; R545-P547 VanDerWaalsContact C-CD 3.48Å; R545-P547 VanDerWaalsContact O-CD 3.3Å; R545-P547 WeakPolarHBondContact O-CD 3.45Å
546	N	88.2	Confident	92.6	Very high	137 Å²	137	47.3 Å²	47.3	73%	0.733	25%	0.246	S	C	*	.	S	Bend	trans	-117.6	74.3	178.1	-64	-24.1	0	0	0	108.8	N544	N544-N546 PolarHBondContact ND2-O 3.12Å; N544-N546 PolarHBondContact O-N 3.11Å; N544-N546 PolarHBondContact OD1-N 3Å; N544-N546 PolarHBondContact OD1-O 2.97Å
547	P	84.5	Confident	92.8	Very high	90 Å²	90	43.9 Å²	43.9	58%	0.584	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-60.6	140.4	-176.6	25.8	-33.9	0	0	0	110.7	R545	R545-P547 VanDerWaalsContact C-CD 3.48Å; R545-P547 VanDerWaalsContact O-CD 3.3Å; R545-P547 WeakPolarHBondContact O-CD 3.45Å
548	P	88	Confident	92.8	Very high	12 Å²	12	45 Å²	45	8%	0.078	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.2	151.1	176.6	27.5	-32.2	0	0	0	110.7	V510 Y661 L662	V510-P548 HydrophobicContact CB-CG 4.03Å; V510-P548 HydrophobicContact CG2-CB 4.11Å; V510-P548 HydrophobicContact CG2-CG 3.74Å; V510-P548 WeakPolarHBondContact O-CD 3.43Å; V510-P548 WeakPolarHBondContact O-CG 3.46Å; P548-Y661 HydrophobicContact CB-CD1 4.49Å; P548-Y661 HydrophobicContact CG-CD1 4.3Å; P548-L662 WeakPolarHBondContact CA-O 3.44Å; P548-L662 WeakPolarHBondContact CB-O 3.48Å
549	S	89.3	Confident	92.8	Very high	39 Å²	39	45.5 Å²	45.5	27%	0.273	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	149.9	176.8	-52.9	0	0	0	0	110.4	F551 Y661 L662 S664	S549-F551 VanDerWaalsContact O-CD2 3.28Å; S549-F551 WeakPolarHBondContact O-CD2 3.39Å; S549-F551 WeakPolarHBondContact O-CE2 3.42Å; S549-Y661 WeakPolarHBondContact O-CA 3.42Å; S549-L662 PolarHBondContact N-O 3.34Å; S549-L662 PolarHBondContact O-N 3.15Å; S549-S664 PolarHBondContact OG-OG 3.01Å
550	L	90.5	Very high	92.7	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.5	174.6	-172.9	70.8	0	0	0	108.9	H659 Y661 S674 V675 M680	L550-H659 HydrophobicContact CD1-CB 3.91Å; L550-H659 HydrophobicContact CD2-CB 4.37Å; L550-H659 HydrophobicContact CG-CB 4.15Å; L550-Y661 HydrophobicContact CB-CD1 3.99Å; L550-Y661 HydrophobicContact CB-CE1 3.68Å; L550-Y661 HydrophobicContact CD1-CD1 4.16Å; L550-Y661 HydrophobicContact CD1-CD2 3.77Å; L550-Y661 HydrophobicContact CD1-CE1 4.17Å; L550-Y661 HydrophobicContact CD1-CE2 3.8Å; L550-Y661 HydrophobicContact CD1-CG 3.96Å; L550-Y661 HydrophobicContact CG-CE1 4.46Å; L550-S674 CarbonylContact O-C 3.51Å; L550-S674 VanDerWaalsContact O-CA 3.27Å; L550-S674 WeakPolarHBondContact O-CA 3.37Å; L550-S674 PolarHBondContact O-OG 3.29Å; L550-V675 HydrophobicContact CB-CG2 4.32Å; L550-V675 WeakPolarHBondContact CB-O 3.1Å; L550-V675 HydrophobicContact CD2-CG2 3.99Å; L550-V675 HydrophobicContact CG-CG2 3.84Å; L550-V675 PolarHBondContact O-N 2.99Å; L550-M680 HydrophobicContact CD1-SD 4.35Å; L550-M680 HydrophobicContact CD2-CB 3.88Å; L550-M680 HydrophobicContact CD2-CE 4.36Å; L550-M680 HydrophobicContact CD2-CG 4.47Å; L550-M680 HydrophobicContact CD2-SD 3.95Å
551	F	91	Very high	92.7	Very high	31 Å²	31	44.2 Å²	44.2	14%	0.136	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.3	-177	-65.8	-84.7	0	0	0	111.3	S549 Y553 H659 I660 L662 A672 H673	S549-F551 VanDerWaalsContact O-CD2 3.28Å; S549-F551 WeakPolarHBondContact O-CD2 3.39Å; S549-F551 WeakPolarHBondContact O-CE2 3.42Å; F551-Y553 HydrophobicContact CB-CD2 3.68Å; F551-Y553 HydrophobicContact CB-CE2 3.53Å; F551-Y553 HydrophobicContact CG-CE2 4.21Å; F551-Y553 PolarHBondContact O-N 3.3Å; F551-H659 VanDerWaalsContact O-CA 3.29Å; F551-H659 WeakPolarHBondContact O-CA 3.39Å; F551-I660 PolarHBondContact N-O 3.25Å; F551-I660 PolarHBondContact O-N 2.91Å; F551-L662 HydrophobicContact CD2-CB 4.04Å; F551-L662 HydrophobicContact CE2-CB 4.11Å; F551-A672 HydrophobicContact CB-CB 4.31Å; F551-A672 HydrophobicContact CD1-CB 4.11Å; F551-H673 WeakPolarHBondContact CA-O 3.39Å
552	D	91.9	Very high	92.6	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	114.3	167.6	-174.1	0.5	0	0	0	109.8	T554 H673 V675	D552-T554 WeakPolarHBondContact OD1-CB 3.39Å; D552-T554 PolarHBondContact OD1-N 3.07Å; D552-T554 PolarHBondContact OD1-OG1 3.4Å; D552-H673 PolarHBondContact N-O 3.28Å; D552-V675 HydrophobicContact CB-CG1 4.39Å
553	Y	92.9	Very high	92.6	Very high	6 Å²	6	47.2 Å²	47.2	2%	0.024	24%	0.237	C	C	.	.			trans	-110.9	17.3	178.2	-93.4	-91.6	0	0	0	111.9	F551 E555 D556 A557 Y584 L608 V616 V658 I660 L662 N669 A672	F551-Y553 HydrophobicContact CB-CD2 3.68Å; F551-Y553 HydrophobicContact CB-CE2 3.53Å; F551-Y553 HydrophobicContact CG-CE2 4.21Å; F551-Y553 PolarHBondContact O-N 3.3Å; Y553-E555 PolarHBondContact O-N 3.39Å; Y553-D556 HydrophobicContact CD1-CB 3.83Å; Y553-D556 HydrophobicContact CE1-CB 4.48Å; Y553-D556 WeakPolarHBondContact CE1-OD2 3.04Å; Y553-D556 PolarHBondContact O-N 3.42Å; Y553-A557 VanDerWaalsContact O-CB 3.28Å; Y553-A557 WeakPolarHBondContact O-CB 3.41Å; Y553-A557 PolarHBondContact O-N 2.96Å; Y553-Y584 VanDerWaalsContact CE1-OH 3.31Å; Y553-Y584 WeakPolarHBondContact CE1-OH 3.39Å; Y553-L608 HydrophobicContact CE1-CD1 4.32Å; Y553-V616 HydrophobicContact CE1-CG2 4.47Å; Y553-V658 PolarHBondContact N-O 2.86Å; Y553-I660 HydrophobicContact CD2-CB 4.32Å; Y553-I660 HydrophobicContact CG-CD1 4.22Å; Y553-L662 HydrophobicContact CD2-CD1 4.34Å; Y553-L662 HydrophobicContact CE2-CD1 3.41Å; Y553-L662 VanDerWaalsContact CE2-CD1 3.41Å; Y553-L662 WeakPolarHBondContact OH-CD1 3.37Å; Y553-N669 PolarHBondContact OH-ND2 3.43Å; Y553-A672 HydrophobicContact CE2-CB 3.97Å
554	T	94.3	Very high	92.6	Very high	13 Å²	13	45 Å²	45	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-43.5	-176.3	-59.2	0	0	0	0	112.5	D552 A557 C558 L651 K657 V658	D552-T554 WeakPolarHBondContact OD1-CB 3.39Å; D552-T554 PolarHBondContact OD1-N 3.07Å; D552-T554 PolarHBondContact OD1-OG1 3.4Å; T554-A557 PolarHBondContact O-N 3.41Å; T554-C558 PolarHBondContact O-N 2.97Å; T554-C558 PolarHBondContact O-SG 3.16Å; T554-L651 HydrophobicContact CG2-CD1 3.91Å; T554-K657 HydrophobicContact CG2-CD 3.76Å; T554-K657 WeakPolarHBondContact OG1-CA 2.87Å; T554-K657 WeakPolarHBondContact OG1-CD 3.46Å; T554-V658 PolarHBondContact N-O 3.06Å; T554-V658 PolarHBondContact OG1-N 3.38Å
555	E	95	Very high	92.6	Very high	105 Å²	105	44.8 Å²	44.8	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-52.3	178.6	-171.3	-161.4	154.3	0	0	110.6	Y553 A557 C558 L559 R604	Y553-E555 PolarHBondContact O-N 3.39Å; E555-A557 VanDerWaalsContact C-N 3.29Å; E555-A557 PolarHBondContact O-N 2.98Å; E555-C558 WeakPolarHBondContact O-CB 3.28Å; E555-C558 PolarHBondContact O-N 3.34Å; E555-L559 PolarHBondContact O-N 3.22Å; E555-R604 IonicContact OE1-CZ 2.77Å; E555-R604 IonicContact OE1-NH1 2.83Å; E555-R604 PolarHBondContact OE1-NH1 2.99Å; E555-R604 IonicContact OE1-NH2 2.91Å; E555-R604 PolarHBondContact OE1-NH2 3.42Å; E555-R604 IonicContact OE2-NH2 3.34Å; E555-R604 PolarHBondContact OE2-NH2 2.9Å
556	D	94.9	Very high	92.8	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-41.3	177.5	-78.4	10.1	0	0	0	111.1	Y553 C558 L559 I560 Y584 R604	Y553-D556 HydrophobicContact CD1-CB 3.83Å; Y553-D556 HydrophobicContact CE1-CB 4.48Å; Y553-D556 WeakPolarHBondContact CE1-OD2 3.04Å; Y553-D556 PolarHBondContact O-N 3.42Å; D556-C558 VanDerWaalsContact C-N 3.33Å; D556-C558 PolarHBondContact O-N 3.31Å; D556-L559 PolarHBondContact O-N 3.47Å; D556-I560 WeakPolarHBondContact O-CB 3.47Å; D556-I560 WeakPolarHBondContact O-CG1 3.35Å; D556-I560 PolarHBondContact O-N 3.03Å; D556-Y584 PolarHBondContact OD2-OH 3.04Å; D556-R604 IonicContact OD1-CZ 2.68Å; D556-R604 IonicContact OD1-NE 3.83Å; D556-R604 PolarHBondContact OD1-NE 3.28Å; D556-R604 IonicContact OD1-NH2 3.12Å; D556-R604 PolarHBondContact OD1-NH2 2.89Å
557	A	96.5	Very high	92.8	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-40	175.5	0	0	0	0	0	112.2	Y553 T554 E555 I560 V561 L620 L651 V658	Y553-A557 VanDerWaalsContact O-CB 3.28Å; Y553-A557 WeakPolarHBondContact O-CB 3.41Å; Y553-A557 PolarHBondContact O-N 2.96Å; T554-A557 PolarHBondContact O-N 3.41Å; E555-A557 VanDerWaalsContact C-N 3.29Å; E555-A557 PolarHBondContact O-N 2.98Å; A557-I560 PolarHBondContact O-N 3.11Å; A557-V561 WeakPolarHBondContact O-CG2 3.46Å; A557-V561 PolarHBondContact O-N 2.95Å; A557-L620 HydrophobicContact CB-CD2 3.74Å; A557-L651 HydrophobicContact CB-CD1 4.34Å; A557-L651 HydrophobicContact CB-CD2 3.78Å; A557-V658 HydrophobicContact CB-CB 4.08Å; A557-V658 HydrophobicContact CB-CG1 4.31Å; A557-V658 HydrophobicContact CB-CG2 3.8Å
558	C	96.8	Very high	92.9	Very high	26 Å²	26	27.5 Å²	27.5	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-45.6	174.4	-69.3	0	0	0	0	111.3	T554 E555 D556 I560 V561 Q562 L652	T554-C558 PolarHBondContact O-N 2.97Å; T554-C558 PolarHBondContact O-SG 3.16Å; E555-C558 WeakPolarHBondContact O-CB 3.28Å; E555-C558 PolarHBondContact O-N 3.34Å; D556-C558 VanDerWaalsContact C-N 3.33Å; D556-C558 PolarHBondContact O-N 3.31Å; C558-I560 VanDerWaalsContact C-N 3.33Å; C558-I560 PolarHBondContact O-N 3.4Å; C558-V561 PolarHBondContact O-N 3.13Å; C558-Q562 WeakPolarHBondContact O-CG 3.29Å; C558-Q562 PolarHBondContact O-N 3.27Å; C558-L652 HydrophobicContact CB-CD2 4.31Å
559	L	96.2	Very high	92.8	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-39.7	176	-68.1	177	0	0	0	111.5	E555 D556 V561 Q562 T563 Q600 L601	E555-L559 PolarHBondContact O-N 3.22Å; D556-L559 PolarHBondContact O-N 3.47Å; L559-V561 PolarHBondContact O-N 2.7Å; L559-Q562 PolarHBondContact O-N 3.49Å; L559-T563 WeakPolarHBondContact O-CB 3.47Å; L559-T563 PolarHBondContact O-N 3.44Å; L559-T563 PolarHBondContact O-OG1 3.36Å; L559-T563 VanDerWaalsContact O-OG1 3.12Å; L559-Q600 HydrophobicContact CD2-CB 4.07Å; L559-L601 HydrophobicContact CB-CB 4.36Å; L559-L601 HydrophobicContact CB-CD1 3.91Å
560	I	96.5	Very high	92.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-46.7	174.4	-70.4	165.3	0	0	0	110.8	D556 A557 C558 T563 Y564 L580 L601 V616 M617 L620 L626	D556-I560 WeakPolarHBondContact O-CB 3.47Å; D556-I560 WeakPolarHBondContact O-CG1 3.35Å; D556-I560 PolarHBondContact O-N 3.03Å; A557-I560 PolarHBondContact O-N 3.11Å; C558-I560 VanDerWaalsContact C-N 3.33Å; C558-I560 PolarHBondContact O-N 3.4Å; I560-T563 PolarHBondContact O-N 3.06Å; I560-Y564 WeakPolarHBondContact O-CB 3.33Å; I560-Y564 PolarHBondContact O-N 3.34Å; I560-L580 HydrophobicContact CG2-CD2 3.74Å; I560-L580 HydrophobicContact CG2-CG 4.25Å; I560-L601 HydrophobicContact CB-CD2 4.39Å; I560-L601 HydrophobicContact CG1-CD1 3.59Å; I560-L601 HydrophobicContact CG1-CD2 3.83Å; I560-L601 HydrophobicContact CG1-CG 4.35Å; I560-V616 HydrophobicContact CD1-CG1 3.96Å; I560-M617 HydrophobicContact CD1-CE 3.8Å; I560-M617 HydrophobicContact CD1-SD 4.36Å; I560-M617 HydrophobicContact CG1-CE 3.96Å; I560-M617 HydrophobicContact CG2-CE 4.08Å; I560-M617 HydrophobicContact CG2-SD 4.05Å; I560-L620 HydrophobicContact CB-CD1 4.1Å; I560-L620 HydrophobicContact CD1-CD1 3.65Å; I560-L620 HydrophobicContact CG1-CD1 4.45Å; I560-L620 HydrophobicContact CG2-CD1 3.69Å; I560-L626 HydrophobicContact CG2-CD1 4.19Å
561	V	96.4	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-40.9	178.1	170.8	0	0	0	0	111.7	A557 C558 L559 Y564 K565 I625 L644 A648 L651 L652	A557-V561 WeakPolarHBondContact O-CG2 3.46Å; A557-V561 PolarHBondContact O-N 2.95Å; C558-V561 PolarHBondContact O-N 3.13Å; L559-V561 PolarHBondContact O-N 2.7Å; V561-Y564 PolarHBondContact O-N 2.9Å; V561-K565 WeakPolarHBondContact O-CG 3.33Å; V561-K565 PolarHBondContact O-N 2.69Å; V561-I625 HydrophobicContact CG2-CG2 3.53Å; V561-L644 HydrophobicContact CG1-CD2 3.85Å; V561-A648 HydrophobicContact CG1-CB 4.46Å; V561-L651 HydrophobicContact CG2-CD2 4.07Å; V561-L652 HydrophobicContact CB-CD2 4.45Å; V561-L652 HydrophobicContact CG1-CD1 3.84Å; V561-L652 HydrophobicContact CG1-CD2 4.2Å; V561-L652 HydrophobicContact CG1-CG 4.16Å
562	Q	94.6	Very high	91.7	Very high	95 Å²	95	47.6 Å²	47.6	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-43.5	177.8	-70	173.5	2.9	0	0	112.1	C558 L559 K565 T566 L652	C558-Q562 WeakPolarHBondContact O-CG 3.29Å; C558-Q562 PolarHBondContact O-N 3.27Å; L559-Q562 PolarHBondContact O-N 3.49Å; Q562-K565 WeakPolarHBondContact O-CB 3.16Å; Q562-K565 PolarHBondContact O-N 2.66Å; Q562-T566 PolarHBondContact O-N 3.37Å; Q562-T566 VanDerWaalsContact O-N 3.13Å; Q562-T566 PolarHBondContact O-OG1 3Å; Q562-T566 VanDerWaalsContact O-OG1 3.11Å; Q562-L652 HydrophobicContact CG-CD2 4.37Å
563	T	94.2	Very high	91.1	Very high	5 Å²	5	46 Å²	46	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-41.9	175.2	-65.7	0	0	0	0	111.3	L559 I560 K565 T566 L567 L580 V583 T599 L601	L559-T563 WeakPolarHBondContact O-CB 3.47Å; L559-T563 PolarHBondContact O-N 3.44Å; L559-T563 PolarHBondContact O-OG1 3.36Å; L559-T563 VanDerWaalsContact O-OG1 3.12Å; I560-T563 PolarHBondContact O-N 3.06Å; T563-K565 PolarHBondContact O-N 2.94Å; T563-T566 WeakPolarHBondContact O-CB 3.46Å; T563-T566 PolarHBondContact O-N 3.23Å; T563-T566 VanDerWaalsContact O-N 3.1Å; T563-L567 HydrophobicContact CG2-CD1 4.03Å; T563-L567 HydrophobicContact CG2-CG 4.29Å; T563-L567 WeakPolarHBondContact O-CG 3.26Å; T563-L567 PolarHBondContact O-N 2.95Å; T563-L580 HydrophobicContact CG2-CD1 3.97Å; T563-V583 HydrophobicContact CG2-CG1 4.01Å; T563-T599 HydrophobicContact CG2-CG2 3.82Å; T563-T599 WeakPolarHBondContact OG1-CB 3.36Å; T563-T599 PolarHBondContact OG1-OG1 2.88Å; T563-L601 HydrophobicContact CG2-CB 4.5Å; T563-L601 HydrophobicContact CG2-CD2 3.85Å; T563-L601 WeakPolarHBondContact OG1-CB 3.35Å
564	Y	94.4	Very high	90.7	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.027	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-47.9	172.6	165.2	-94.3	0	0	0	111.3	I560 V561 T566 L567 D568 C575 L626 L642 R643 L644	I560-Y564 WeakPolarHBondContact O-CB 3.33Å; I560-Y564 PolarHBondContact O-N 3.34Å; V561-Y564 PolarHBondContact O-N 2.9Å; Y564-T566 PolarHBondContact O-N 2.94Å; Y564-L567 PolarHBondContact O-N 3.21Å; Y564-D568 HydrophobicContact CE1-CB 4.15Å; Y564-D568 HydrophobicContact CE2-CB 3.99Å; Y564-D568 VanDerWaalsContact O-CB 3.24Å; Y564-D568 WeakPolarHBondContact O-CB 3.48Å; Y564-D568 PolarHBondContact O-N 2.7Å; Y564-D568 PolarHBondContact OH-OD1 3.42Å; Y564-C575 HydrophobicContact CD2-CB 4.37Å; Y564-C575 HydrophobicContact CE2-CB 4.25Å; Y564-L626 HydrophobicContact CG-CD2 4.46Å; Y564-L642 HydrophobicContact CD2-CB 4.01Å; Y564-L642 HydrophobicContact CD2-CD1 4.48Å; Y564-L642 HydrophobicContact CE2-CB 3.66Å; Y564-L642 PolarHBondContact OH-O 2.87Å; Y564-L642 VanDerWaalsContact OH-O 3.04Å; Y564-R643 WeakPolarHBondContact OH-CA 3.48Å; Y564-L644 HydrophobicContact CD1-CD2 3.44Å; Y564-L644 VanDerWaalsContact CD1-CD2 3.44Å; Y564-L644 HydrophobicContact CD1-CG 4.01Å; Y564-L644 HydrophobicContact CE1-CD2 3.63Å; Y564-L644 HydrophobicContact CE1-CG 3.66Å
565	K	91.9	Very high	90.5	Very high	65 Å²	65	52.7 Å²	52.7	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-56.9	-35.5	177	-75.3	176.1	177.8	179.2	0	112.4	V561 Q562 T563 R569 L644 L652	V561-K565 WeakPolarHBondContact O-CG 3.33Å; V561-K565 PolarHBondContact O-N 2.69Å; Q562-K565 WeakPolarHBondContact O-CB 3.16Å; Q562-K565 PolarHBondContact O-N 2.66Å; T563-K565 PolarHBondContact O-N 2.94Å; K565-R569 VanDerWaalsContact O-CG 3.31Å; K565-R569 WeakPolarHBondContact O-CG 3.5Å; K565-R569 PolarHBondContact O-N 3.12Å; K565-L644 HydrophobicContact CD-CD1 4.48Å; K565-L644 HydrophobicContact CG-CD1 4.18Å; K565-L652 VanDerWaalsContact NZ-CD1 3.26Å
566	T	90.1	Very high	90.4	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.344	23%	0.234	S	C	.	.	H	α-helix	trans	-70.5	-49	177.4	-55.8	0	0	0	0	111.2	Q562 T563 Y564 M570	Q562-T566 PolarHBondContact O-N 3.37Å; Q562-T566 VanDerWaalsContact O-N 3.13Å; Q562-T566 PolarHBondContact O-OG1 3Å; Q562-T566 VanDerWaalsContact O-OG1 3.11Å; T563-T566 WeakPolarHBondContact O-CB 3.46Å; T563-T566 PolarHBondContact O-N 3.23Å; T563-T566 VanDerWaalsContact O-N 3.1Å; Y564-T566 PolarHBondContact O-N 2.94Å; T566-M570 PolarHBondContact O-N 3.42Å
567	L	88.9	Confident	90.2	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-38	179.4	-67	177	0	0	0	112.8	T563 Y564 R569 M570 N571 L580 V583	T563-L567 HydrophobicContact CG2-CD1 4.03Å; T563-L567 HydrophobicContact CG2-CG 4.29Å; T563-L567 WeakPolarHBondContact O-CG 3.26Å; T563-L567 PolarHBondContact O-N 2.95Å; Y564-L567 PolarHBondContact O-N 3.21Å; L567-R569 PolarHBondContact O-N 2.87Å; L567-M570 PolarHBondContact O-N 2.91Å; L567-N571 WeakPolarHBondContact O-CB 3.44Å; L567-N571 PolarHBondContact O-N 2.93Å; L567-L580 HydrophobicContact CD1-CD1 4.02Å; L567-V583 HydrophobicContact CD1-CG2 4.22Å
568	D	87.4	Confident	89.9	Confident	39 Å²	39	57.2 Å²	57.2	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-41.4	-179.1	-168.2	76.8	0	0	0	111.8	Y564 M570 N572 G573 R643	Y564-D568 HydrophobicContact CE1-CB 4.15Å; Y564-D568 HydrophobicContact CE2-CB 3.99Å; Y564-D568 VanDerWaalsContact O-CB 3.24Å; Y564-D568 WeakPolarHBondContact O-CB 3.48Å; Y564-D568 PolarHBondContact O-N 2.7Å; Y564-D568 PolarHBondContact OH-OD1 3.42Å; D568-M570 VanDerWaalsContact C-N 3.33Å; D568-M570 PolarHBondContact O-N 2.78Å; D568-N572 PolarHBondContact O-N 2.96Å; D568-G573 PolarHBondContact O-N 3.16Å; D568-G573 VanDerWaalsContact OD1-CA 3.31Å; D568-G573 WeakPolarHBondContact OD1-CA 3.4Å; D568-R643 IonicContact OD1-NH1 3.39Å; D568-R643 PolarHBondContact OD1-NH1 2.86Å
569	R	86	Confident	89.6	Confident	202 Å²	202	59.1 Å²	59.1	76%	0.762	27%	0.271	S	S	*	.	H	α-helix	trans	-61.7	-39	174.5	-72.1	173.3	-173.1	173.7	1.9	112.4	K565 L567	K565-R569 VanDerWaalsContact O-CG 3.31Å; K565-R569 WeakPolarHBondContact O-CG 3.5Å; K565-R569 PolarHBondContact O-N 3.12Å; L567-R569 PolarHBondContact O-N 2.87Å
570	M	82.7	Confident	89.5	Confident	111 Å²	111	58.6 Å²	58.6	55%	0.547	27%	0.268	S	S	.	.	H	α-helix	trans	-80.9	-39.1	-177.3	-63.8	-175.2	94.1	0	0	112.8	T566 L567 D568 N572 A595	T566-M570 PolarHBondContact O-N 3.42Å; L567-M570 PolarHBondContact O-N 2.91Å; D568-M570 VanDerWaalsContact C-N 3.33Å; D568-M570 PolarHBondContact O-N 2.78Å; M570-N572 PolarHBondContact O-N 2.77Å; M570-A595 HydrophobicContact CE-CB 3.81Å; M570-A595 HydrophobicContact SD-CB 3.1Å; M570-A595 WeakPolarHBondContact SD-CB 3.33Å
571	N	81.4	Confident	89.3	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	13.7	-178	-67.5	-10.7	0	0	0	112.9	L567 G573 R574	L567-N571 WeakPolarHBondContact O-CB 3.44Å; L567-N571 PolarHBondContact O-N 2.93Å; N571-G573 VanDerWaalsContact C-N 3.27Å; N571-G573 PolarHBondContact O-N 2.92Å; N571-R574 WeakPolarHBondContact O-CB 3.41Å; N571-R574 PolarHBondContact O-N 3.35Å
572	N	82.2	Confident	89.1	Confident	143 Å²	143	59.4 Å²	59.4	77%	0.765	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	48.3	-178.7	-164.4	31.2	0	0	0	112.6	D568 M570	D568-N572 PolarHBondContact O-N 2.96Å; M570-N572 PolarHBondContact O-N 2.77Å
573	G	79.6	Confident	89	Confident	10 Å²	10	55 Å²	55	10%	0.103	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	12.1	179.4	0	0	0	0	0	115.8	D568 N571 R643	D568-G573 PolarHBondContact O-N 3.16Å; D568-G573 VanDerWaalsContact OD1-CA 3.31Å; D568-G573 WeakPolarHBondContact OD1-CA 3.4Å; N571-G573 VanDerWaalsContact C-N 3.27Å; N571-G573 PolarHBondContact O-N 2.92Å; G573-R643 PolarHBondContact O-NH1 3.45Å; G573-R643 PolarHBondContact O-NH2 2.63Å; G573-R643 VanDerWaalsContact O-NH2 3.08Å
574	R	84.9	Confident	89	Confident	159 Å²	159	54.8 Å²	54.8	60%	0.6	25%	0.251	S	S	*	.			trans	-113.1	55.2	-176.1	-59.6	-178.6	179	174.4	-0.7	113.2	N571 Y641	N571-R574 WeakPolarHBondContact O-CB 3.41Å; N571-R574 PolarHBondContact O-N 3.35Å; R574-Y641 HydrophobicContact CB-CD1 4.09Å; R574-Y641 HydrophobicContact CB-CE1 3.73Å; R574-Y641 HydrophobicContact CG-CE1 4.32Å; R574-Y641 HydrophobicContact CG-CE2 4.43Å
575	C	90.5	Very high	89	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.261	C	S	.	.			trans	-98.5	124.2	172.1	-175	0	0	0	0	110.1	Y564 Y641 L642	Y564-C575 HydrophobicContact CD2-CB 4.37Å; Y564-C575 HydrophobicContact CE2-CB 4.25Å; C575-Y641 WeakPolarHBondContact O-CA 3.29Å; C575-L642 PolarHBondContact O-N 3.31Å
576	T	91.3	Very high	88.9	Confident	30 Å²	30	55.3 Å²	55.3	18%	0.184	26%	0.258	C	S	.	.			trans	-92.8	158.2	175.4	64.8	0	0	0	0	111.3	R578 Q579 L580 V639 Y641	T576-R578 VanDerWaalsContact C-N 3.25Å; T576-R578 PolarHBondContact O-N 2.86Å; T576-Q579 PolarHBondContact O-N 2.82Å; T576-Q579 VanDerWaalsContact OG1-CG 3.29Å; T576-Q579 WeakPolarHBondContact OG1-CG 3.05Å; T576-Q579 PolarHBondContact OG1-N 3.13Å; T576-Q579 PolarHBondContact OG1-OE1 2.93Å; T576-L580 PolarHBondContact O-N 3.26Å; T576-V639 HydrophobicContact CG2-CG1 4.28Å; T576-Y641 HydrophobicContact CG2-CD1 3.73Å; T576-Y641 HydrophobicContact CG2-CE1 3.75Å
577	L	92.3	Very high	88.9	Confident	13 Å²	13	53.4 Å²	53.4	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-55.6	-41.7	176.5	-168.2	68.9	0	0	0	112.7	Y471 L580 A581 M617 I621 L642	Y471-L577 HydrophobicContact CE1-CD2 4.37Å; L577-L580 PolarHBondContact O-N 2.87Å; L577-A581 WeakPolarHBondContact O-CB 3.49Å; L577-A581 PolarHBondContact O-N 3.42Å; L577-M617 HydrophobicContact CD1-CB 3.63Å; L577-M617 HydrophobicContact CD1-CG 4.26Å; L577-M617 HydrophobicContact CD1-SD 4.4Å; L577-M617 HydrophobicContact CD2-CB 4.26Å; L577-M617 HydrophobicContact CG-CB 4.01Å; L577-I621 HydrophobicContact CD1-CD1 3.66Å; L577-I621 HydrophobicContact CD1-CG1 4.43Å; L577-I621 HydrophobicContact CD2-CD1 3.78Å; L577-I621 HydrophobicContact CG-CD1 4.31Å; L577-L642 HydrophobicContact CB-CD1 4.43Å; L577-L642 HydrophobicContact CB-CD2 4.38Å; L577-L642 HydrophobicContact CD1-CD1 3.96Å; L577-L642 HydrophobicContact CD1-CD2 3.86Å; L577-L642 HydrophobicContact CD1-CG 4.43Å
578	R	90.5	Very high	88.5	Confident	171 Å²	171	59.2 Å²	59.2	65%	0.645	28%	0.279	S	S	*	.	H	α-helix	trans	-65.4	-40.2	-179.8	-174	170.8	-177.3	155.7	0.5	112.3	T576 L580 A581 D582	T576-R578 VanDerWaalsContact C-N 3.25Å; T576-R578 PolarHBondContact O-N 2.86Å; R578-L580 VanDerWaalsContact C-N 3.33Å; R578-L580 PolarHBondContact O-N 3.05Å; R578-A581 PolarHBondContact O-N 2.91Å; R578-D582 VanDerWaalsContact O-CB 3.31Å; R578-D582 WeakPolarHBondContact O-CB 3.36Å; R578-D582 PolarHBondContact O-N 3.44Å
579	Q	90.1	Very high	88	Confident	66 Å²	66	59.4 Å²	59.4	31%	0.308	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-42.1	176.1	-74.6	166.1	-37.2	0	0	111.5	T576 D582 V583	T576-Q579 PolarHBondContact O-N 2.82Å; T576-Q579 VanDerWaalsContact OG1-CG 3.29Å; T576-Q579 WeakPolarHBondContact OG1-CG 3.05Å; T576-Q579 PolarHBondContact OG1-N 3.13Å; T576-Q579 PolarHBondContact OG1-OE1 2.93Å; Q579-D582 PolarHBondContact O-N 3.03Å; Q579-V583 PolarHBondContact O-N 3.28Å; Q579-V583 VanDerWaalsContact O-N 3.09Å
580	L	93.1	Very high	87.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-40.7	177.2	-171.3	59.8	0	0	0	111.8	I560 T563 L567 T576 L577 R578 D582 V583 Y584 L601 M617 L626 L642	I560-L580 HydrophobicContact CG2-CD2 3.74Å; I560-L580 HydrophobicContact CG2-CG 4.25Å; T563-L580 HydrophobicContact CG2-CD1 3.97Å; L567-L580 HydrophobicContact CD1-CD1 4.02Å; T576-L580 PolarHBondContact O-N 3.26Å; L577-L580 PolarHBondContact O-N 2.87Å; R578-L580 VanDerWaalsContact C-N 3.33Å; R578-L580 PolarHBondContact O-N 3.05Å; L580-D582 VanDerWaalsContact C-N 3.31Å; L580-D582 PolarHBondContact O-N 3.1Å; L580-V583 PolarHBondContact O-N 3.19Å; L580-Y584 PolarHBondContact O-N 3.02Å; L580-L601 HydrophobicContact CD1-CD2 4.37Å; L580-M617 HydrophobicContact CD2-CE 4.49Å; L580-M617 HydrophobicContact CD2-SD 4.15Å; L580-M617 HydrophobicContact CG-CE 3.95Å; L580-M617 HydrophobicContact CG-SD 4.17Å; L580-L626 HydrophobicContact CD2-CD1 4.06Å; L580-L642 HydrophobicContact CB-CD1 4.25Å; L580-L642 HydrophobicContact CD2-CD1 3.7Å
581	A	93.2	Very high	86.4	Confident	2 Å²	2	61.3 Å²	61.3	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-38.3	172.6	0	0	0	0	0	112.4	L577 R578 Y584 R585 L614 M617	L577-A581 WeakPolarHBondContact O-CB 3.49Å; L577-A581 PolarHBondContact O-N 3.42Å; R578-A581 PolarHBondContact O-N 2.91Å; A581-Y584 PolarHBondContact O-N 2.94Å; A581-R585 WeakPolarHBondContact O-CG 3.45Å; A581-R585 PolarHBondContact O-N 3.26Å; A581-L614 HydrophobicContact CB-CD2 3.95Å; A581-M617 HydrophobicContact CB-CG 4.06Å
582	D	91.9	Very high	85.9	Confident	16 Å²	16	59.5 Å²	59.5	9%	0.086	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-39.8	178.4	-74.9	-16.9	0	0	0	112	R578 Q579 L580 R585 G586 A587 M592	R578-D582 VanDerWaalsContact O-CB 3.31Å; R578-D582 WeakPolarHBondContact O-CB 3.36Å; R578-D582 PolarHBondContact O-N 3.44Å; Q579-D582 PolarHBondContact O-N 3.03Å; L580-D582 VanDerWaalsContact C-N 3.31Å; L580-D582 PolarHBondContact O-N 3.1Å; D582-R585 IonicContact OD1-CZ 3.06Å; D582-R585 IonicContact OD1-NE 2.75Å; D582-R585 PolarHBondContact OD1-NE 3.34Å; D582-R585 IonicContact OD1-NH2 2.67Å; D582-R585 PolarHBondContact OD1-NH2 3.47Å; D582-R585 IonicContact OD2-NH2 3.95Å; D582-G586 PolarHBondContact O-N 3.32Å; D582-A587 HydrophobicContact CB-CB 4.16Å; D582-A587 PolarHBondContact O-N 2.92Å; D582-M592 HydrophobicContact CB-CE 3.54Å; D582-M592 HydrophobicContact CB-SD 4.26Å
583	V	93.1	Very high	85.4	Confident	3 Å²	3	54 Å²	54	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-49.9	170.6	173.2	0	0	0	0	110	T563 L567 Q579 L580 R585 G586 M592 G596 L601 Y602 G603	T563-V583 HydrophobicContact CG2-CG1 4.01Å; L567-V583 HydrophobicContact CD1-CG2 4.22Å; Q579-V583 PolarHBondContact O-N 3.28Å; Q579-V583 VanDerWaalsContact O-N 3.09Å; L580-V583 PolarHBondContact O-N 3.19Å; V583-R585 PolarHBondContact O-N 3.34Å; V583-G586 PolarHBondContact O-N 3.02Å; V583-M592 HydrophobicContact CB-SD 4.39Å; V583-M592 HydrophobicContact CG2-SD 3.46Å; V583-M592 WeakPolarHBondContact CG2-SD 3.47Å; V583-G596 WeakPolarHBondContact CG1-O 3.48Å; V583-L601 HydrophobicContact CG1-CD2 4.46Å; V583-Y602 HydrophobicContact CG1-CD2 4.24Å; V583-Y602 WeakPolarHBondContact O-CA 3.27Å; V583-Y602 WeakPolarHBondContact O-CD2 3.39Å; V583-G603 PolarHBondContact O-N 3.32Å
584	Y	94.3	Very high	85.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-42.9	-177.4	179.5	-139.8	0	0	0	112.9	Y553 D556 L580 A581 G586 L601 G603 R604 G605 L608 T613 V616 M617	Y553-Y584 VanDerWaalsContact CE1-OH 3.31Å; Y553-Y584 WeakPolarHBondContact CE1-OH 3.39Å; D556-Y584 PolarHBondContact OD2-OH 3.04Å; L580-Y584 PolarHBondContact O-N 3.02Å; A581-Y584 PolarHBondContact O-N 2.94Å; Y584-G586 PolarHBondContact O-N 3.43Å; Y584-L601 HydrophobicContact CD2-CD1 3.44Å; Y584-L601 VanDerWaalsContact CD2-CD1 3.44Å; Y584-L601 HydrophobicContact CD2-CG 3.89Å; Y584-L601 HydrophobicContact CE2-CD1 3.96Å; Y584-L601 HydrophobicContact CG-CD1 4.23Å; Y584-L601 HydrophobicContact CG-CG 4.44Å; Y584-G603 CarbonylContact O-C 3.42Å; Y584-G603 WeakPolarHBondContact O-CA 3.26Å; Y584-G603 PolarHBondContact O-N 3.48Å; Y584-R604 HydrophobicContact CD2-CB 4.22Å; Y584-R604 HydrophobicContact CE2-CB 3.89Å; Y584-R604 PolarHBondContact O-N 2.9Å; Y584-G605 VanDerWaalsContact CE2-CA 3.47Å; Y584-G605 WeakPolarHBondContact O-CA 3.25Å; Y584-G605 PolarHBondContact O-N 3.21Å; Y584-L608 HydrophobicContact CE1-CD1 3.96Å; Y584-L608 WeakPolarHBondContact OH-CD1 3.3Å; Y584-T613 HydrophobicContact CD1-CG2 3.57Å; Y584-T613 HydrophobicContact CE1-CG2 3.8Å; Y584-T613 HydrophobicContact CG-CG2 4.38Å; Y584-V616 HydrophobicContact CE1-CB 4.3Å; Y584-V616 HydrophobicContact CE1-CG1 4.21Å; Y584-V616 HydrophobicContact CE1-CG2 4.4Å; Y584-M617 HydrophobicContact CD1-CE 3.89Å; Y584-M617 HydrophobicContact CG-CE 4.14Å
585	R	92.8	Very high	85	Confident	61 Å²	61	50.1 Å²	50.1	23%	0.23	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.3	176.5	75.2	-170.2	174.4	129.5	6.3	114.4	A581 D582 V583 A587 T610 T613	A581-R585 WeakPolarHBondContact O-CG 3.45Å; A581-R585 PolarHBondContact O-N 3.26Å; D582-R585 IonicContact OD1-CZ 3.06Å; D582-R585 IonicContact OD1-NE 2.75Å; D582-R585 PolarHBondContact OD1-NE 3.34Å; D582-R585 IonicContact OD1-NH2 2.67Å; D582-R585 PolarHBondContact OD1-NH2 3.47Å; D582-R585 IonicContact OD2-NH2 3.95Å; V583-R585 PolarHBondContact O-N 3.34Å; R585-A587 HydrophobicContact CG-CB 3.94Å; R585-T610 PolarHBondContact NH1-OG1 3.21Å; R585-T613 HydrophobicContact CB-CG2 3.76Å
586	G	91.5	Very high	84.5	Confident	22 Å²	22	50.1 Å²	50.1	23%	0.227	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	28.5	-177.5	0	0	0	0	0	113.6	D582 V583 Y584 Y602	D582-G586 PolarHBondContact O-N 3.32Å; V583-G586 PolarHBondContact O-N 3.02Å; Y584-G586 PolarHBondContact O-N 3.43Å; G586-Y602 PolarHBondContact O-OH 2.97Å
587	A	88.5	Confident	84.1	Confident	16 Å²	16	53.7 Å²	53.7	13%	0.132	27%	0.268	C	S	.	.			trans	-63.1	148.7	177.8	0	0	0	0	0	110.5	D582 R585 T589 M592 Y602	D582-A587 HydrophobicContact CB-CB 4.16Å; D582-A587 PolarHBondContact O-N 2.92Å; R585-A587 HydrophobicContact CG-CB 3.94Å; A587-T589 HydrophobicContact CB-CG2 4.25Å; A587-M592 HydrophobicContact CB-CE 3.92Å; A587-M592 WeakPolarHBondContact O-CE 3.12Å; A587-Y602 PolarHBondContact O-OH 3.27Å
588	N	82.1	Confident	83.8	Confident	125 Å²	125	60.8 Å²	60.8	67%	0.668	30%	0.301	S	S	*	.			trans	-107.8	72.5	172.9	-168	12.4	0	0	0	109.4	R597	N588-R597 PolarHBondContact OD1-NH2 3.45Å
589	T	76.3	Confident	83.7	Confident	44 Å²	44	53.8 Å²	53.8	27%	0.27	28%	0.277	S	S	.	.			trans	-88.8	151.1	176.2	58.2	0	0	0	0	110.7	A587 D591 M592	A587-T589 HydrophobicContact CB-CG2 4.25Å; T589-D591 PolarHBondContact O-N 3.42Å; T589-M592 VanDerWaalsContact O-CB 3.24Å; T589-M592 WeakPolarHBondContact O-CB 3.47Å; T589-M592 PolarHBondContact O-N 3.13Å; T589-M592 VanDerWaalsContact O-N 3.09Å; T589-M592 VanDerWaalsContact OG1-CE 3.32Å; T589-M592 WeakPolarHBondContact OG1-CE 3.46Å
590	K	70.1	Confident	83.8	Confident	211 Å²	211	57.9 Å²	57.9	92%	0.917	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.2	179	-67.7	-174.5	178.8	-177.5	0	112.6	M592	K590-M592 VanDerWaalsContact C-N 3.34Å
591	D	65.8	Low	83.8	Confident	142 Å²	142	57.9 Å²	57.9	76%	0.759	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.3	-179.2	-53.4	-36.8	0	0	0	113.3	T589 S593	T589-D591 PolarHBondContact O-N 3.42Å; D591-S593 PolarHBondContact O-N 2.97Å
592	M	70	Confident	83.8	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.079	31%	0.31	C	S	.	.			trans	-71.7	115	-178.9	-165	76.4	67	0	0	110.3	D582 V583 A587 T589 K590 S594 R597	D582-M592 HydrophobicContact CB-CE 3.54Å; D582-M592 HydrophobicContact CB-SD 4.26Å; V583-M592 HydrophobicContact CB-SD 4.39Å; V583-M592 HydrophobicContact CG2-SD 3.46Å; V583-M592 WeakPolarHBondContact CG2-SD 3.47Å; A587-M592 HydrophobicContact CB-CE 3.92Å; A587-M592 WeakPolarHBondContact O-CE 3.12Å; T589-M592 VanDerWaalsContact O-CB 3.24Å; T589-M592 WeakPolarHBondContact O-CB 3.47Å; T589-M592 PolarHBondContact O-N 3.13Å; T589-M592 VanDerWaalsContact O-N 3.09Å; T589-M592 VanDerWaalsContact OG1-CE 3.32Å; T589-M592 WeakPolarHBondContact OG1-CE 3.46Å; K590-M592 VanDerWaalsContact C-N 3.34Å; M592-S594 PolarHBondContact O-N 3.48Å; M592-R597 HydrophobicContact CG-CG 4.16Å
593	S	70.7	Confident	83.8	Confident	27 Å²	27	62 Å²	62	19%	0.189	32%	0.319	C	S	.	.			trans	-52	129.7	171.7	163.4	0	0	0	0	111	D591 A595 G596 R597	D591-S593 PolarHBondContact O-N 2.97Å; S593-A595 PolarHBondContact O-N 2.89Å; S593-A595 PolarHBondContact OG-N 2.87Å; S593-G596 PolarHBondContact O-N 3.22Å; S593-G596 PolarHBondContact OG-N 3.44Å; S593-R597 PolarHBondContact O-N 2.66Å
594	S	77.9	Confident	83.8	Confident	79 Å²	79	63.9 Å²	63.9	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-55.1	-36.1	173.6	51.5	0	0	0	0	111.7	M592 G596 R597 Q598	M592-S594 PolarHBondContact O-N 3.48Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.06Å; S594-R597 WeakPolarHBondContact O-CB 3.35Å; S594-R597 PolarHBondContact O-N 3.25Å; S594-Q598 PolarHBondContact O-N 3.08Å
595	A	78.3	Confident	83.6	Confident	8 Å²	8	63.9 Å²	63.9	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-33.6	176.8	0	0	0	0	0	113	M570 S593 R597 Q598 T599	M570-A595 HydrophobicContact CE-CB 3.81Å; M570-A595 HydrophobicContact SD-CB 3.1Å; M570-A595 WeakPolarHBondContact SD-CB 3.33Å; S593-A595 PolarHBondContact O-N 2.89Å; S593-A595 PolarHBondContact OG-N 2.87Å; A595-R597 PolarHBondContact O-N 2.92Å; A595-Q598 PolarHBondContact O-N 3.02Å; A595-Q598 VanDerWaalsContact O-N 3.16Å; A595-T599 VanDerWaalsContact O-CG2 3.27Å; A595-T599 WeakPolarHBondContact O-CG2 3.49Å; A595-T599 PolarHBondContact O-N 3.3Å
596	G	80	Confident	83.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.6	-41.5	172	0	0	0	0	0	111.6	V583 S593 S594 Q598 T599	V583-G596 WeakPolarHBondContact CG1-O 3.48Å; S593-G596 PolarHBondContact O-N 3.22Å; S593-G596 PolarHBondContact OG-N 3.44Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.06Å; G596-Q598 VanDerWaalsContact C-N 3.28Å; G596-Q598 PolarHBondContact O-N 2.86Å; G596-T599 PolarHBondContact O-N 3.1Å; G596-T599 PolarHBondContact O-OG1 3.35Å
597	R	83.3	Confident	83.2	Confident	106 Å²	106	68.5 Å²	68.5	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-68.4	-24.4	178.6	-56.2	-178.6	-171.3	-176.9	-3.6	113.7	N588 M592 S593 S594 A595 T599 Y602	N588-R597 PolarHBondContact OD1-NH2 3.45Å; M592-R597 HydrophobicContact CG-CG 4.16Å; S593-R597 PolarHBondContact O-N 2.66Å; S594-R597 WeakPolarHBondContact O-CB 3.35Å; S594-R597 PolarHBondContact O-N 3.25Å; A595-R597 PolarHBondContact O-N 2.92Å; R597-T599 VanDerWaalsContact C-N 3.33Å; R597-Y602 HydrophobicContact CB-CD2 4.38Å; R597-Y602 HydrophobicContact CB-CE2 4.44Å; R597-Y602 HydrophobicContact CB-CG 4.49Å; R597-Y602 HydrophobicContact CG-CD2 4.27Å; R597-Y602 HydrophobicContact CG-CE2 3.94Å
598	Q	86.6	Confident	83.1	Confident	162 Å²	162	69.6 Å²	69.6	76%	0.757	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7	178.4	-68	174.1	-4.2	0	0	112.7	S594 A595 G596	S594-Q598 PolarHBondContact O-N 3.08Å; A595-Q598 PolarHBondContact O-N 3.02Å; A595-Q598 VanDerWaalsContact O-N 3.16Å; G596-Q598 VanDerWaalsContact C-N 3.28Å; G596-Q598 PolarHBondContact O-N 2.86Å
599	T	88.6	Confident	83.3	Confident	24 Å²	24	65.3 Å²	65.3	15%	0.147	34%	0.341	C	S	.	.	S	Bend	trans	-79.2	149.2	178	70.1	0	0	0	0	111.8	T563 A595 G596 R597 L601 Y602	T563-T599 HydrophobicContact CG2-CG2 3.82Å; T563-T599 WeakPolarHBondContact OG1-CB 3.36Å; T563-T599 PolarHBondContact OG1-OG1 2.88Å; A595-T599 VanDerWaalsContact O-CG2 3.27Å; A595-T599 WeakPolarHBondContact O-CG2 3.49Å; A595-T599 PolarHBondContact O-N 3.3Å; G596-T599 PolarHBondContact O-N 3.1Å; G596-T599 PolarHBondContact O-OG1 3.35Å; R597-T599 VanDerWaalsContact C-N 3.33Å; T599-L601 PolarHBondContact O-N 3.38Å; T599-L601 VanDerWaalsContact O-N 3.08Å; T599-Y602 WeakPolarHBondContact O-CB 3.21Å; T599-Y602 PolarHBondContact O-N 2.94Å
600	Q	92.1	Very high	83.9	Confident	152 Å²	152	66.6 Å²	66.6	71%	0.71	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.3	173.5	-67.9	179.9	-9.8	0	0	113.3	L559 Y602 R604	L559-Q600 HydrophobicContact CD2-CB 4.07Å; Q600-Y602 VanDerWaalsContact C-N 3.34Å; Q600-R604 WeakPolarHBondContact O-CD 3.46Å; Q600-R604 WeakPolarHBondContact O-CG 3.4Å
601	L	93.2	Very high	84.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.8	177.1	-173.6	69	0	0	0	112.9	L559 I560 T563 L580 V583 Y584 T599 G603 R604	L559-L601 HydrophobicContact CB-CB 4.36Å; L559-L601 HydrophobicContact CB-CD1 3.91Å; I560-L601 HydrophobicContact CB-CD2 4.39Å; I560-L601 HydrophobicContact CG1-CD1 3.59Å; I560-L601 HydrophobicContact CG1-CD2 3.83Å; I560-L601 HydrophobicContact CG1-CG 4.35Å; T563-L601 HydrophobicContact CG2-CB 4.5Å; T563-L601 HydrophobicContact CG2-CD2 3.85Å; T563-L601 WeakPolarHBondContact OG1-CB 3.35Å; L580-L601 HydrophobicContact CD1-CD2 4.37Å; V583-L601 HydrophobicContact CG1-CD2 4.46Å; Y584-L601 HydrophobicContact CD2-CD1 3.44Å; Y584-L601 VanDerWaalsContact CD2-CD1 3.44Å; Y584-L601 HydrophobicContact CD2-CG 3.89Å; Y584-L601 HydrophobicContact CE2-CD1 3.96Å; Y584-L601 HydrophobicContact CG-CD1 4.23Å; Y584-L601 HydrophobicContact CG-CG 4.44Å; T599-L601 PolarHBondContact O-N 3.38Å; T599-L601 VanDerWaalsContact O-N 3.08Å; L601-G603 PolarHBondContact O-N 3.16Å; L601-R604 PolarHBondContact O-N 3.07Å; L601-R604 VanDerWaalsContact O-N 3.14Å
602	Y	92.9	Very high	85.9	Confident	77 Å²	77	55.6 Å²	55.6	30%	0.302	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	122.6	-170.2	-177	-103.2	0	0	0	111.5	V583 G586 A587 R597 T599 Q600 R604	V583-Y602 HydrophobicContact CG1-CD2 4.24Å; V583-Y602 WeakPolarHBondContact O-CA 3.27Å; V583-Y602 WeakPolarHBondContact O-CD2 3.39Å; G586-Y602 PolarHBondContact O-OH 2.97Å; A587-Y602 PolarHBondContact O-OH 3.27Å; R597-Y602 HydrophobicContact CB-CD2 4.38Å; R597-Y602 HydrophobicContact CB-CE2 4.44Å; R597-Y602 HydrophobicContact CB-CG 4.49Å; R597-Y602 HydrophobicContact CG-CD2 4.27Å; R597-Y602 HydrophobicContact CG-CE2 3.94Å; T599-Y602 WeakPolarHBondContact O-CB 3.21Å; T599-Y602 PolarHBondContact O-N 2.94Å; Q600-Y602 VanDerWaalsContact C-N 3.34Å; Y602-R604 VanDerWaalsContact C-N 3.26Å; Y602-R604 PolarHBondContact O-N 2.97Å
603	G	91.5	Very high	87.1	Confident	27 Å²	27	54.8 Å²	54.8	28%	0.278	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-6.3	178.2	0	0	0	0	0	116.1	V583 Y584 L601 G605 A606	V583-G603 PolarHBondContact O-N 3.32Å; Y584-G603 CarbonylContact O-C 3.42Å; Y584-G603 WeakPolarHBondContact O-CA 3.26Å; Y584-G603 PolarHBondContact O-N 3.48Å; L601-G603 PolarHBondContact O-N 3.16Å; G603-G605 PolarHBondContact O-N 3.31Å; G603-A606 WeakPolarHBondContact O-CB 3.44Å; G603-A606 PolarHBondContact O-N 2.96Å
604	R	92.6	Very high	88.1	Confident	43 Å²	43	56 Å²	56	16%	0.162	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.2	177.3	-75.2	-173.7	67.6	121.9	-4.5	112.9	E555 D556 Y584 Q600 L601 Y602	E555-R604 IonicContact OE1-CZ 2.77Å; E555-R604 IonicContact OE1-NH1 2.83Å; E555-R604 PolarHBondContact OE1-NH1 2.99Å; E555-R604 IonicContact OE1-NH2 2.91Å; E555-R604 PolarHBondContact OE1-NH2 3.42Å; E555-R604 IonicContact OE2-NH2 3.34Å; E555-R604 PolarHBondContact OE2-NH2 2.9Å; D556-R604 IonicContact OD1-CZ 2.68Å; D556-R604 IonicContact OD1-NE 3.83Å; D556-R604 PolarHBondContact OD1-NE 3.28Å; D556-R604 IonicContact OD1-NH2 3.12Å; D556-R604 PolarHBondContact OD1-NH2 2.89Å; Y584-R604 HydrophobicContact CD2-CB 4.22Å; Y584-R604 HydrophobicContact CE2-CB 3.89Å; Y584-R604 PolarHBondContact O-N 2.9Å; Q600-R604 WeakPolarHBondContact O-CD 3.46Å; Q600-R604 WeakPolarHBondContact O-CG 3.4Å; L601-R604 PolarHBondContact O-N 3.07Å; L601-R604 VanDerWaalsContact O-N 3.14Å; Y602-R604 VanDerWaalsContact C-N 3.26Å; Y602-R604 PolarHBondContact O-N 2.97Å
605	G	90.5	Very high	88.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.2	178.2	0	0	0	0	0	114.8	Y584 G603 K607 L608 T613	Y584-G605 VanDerWaalsContact CE2-CA 3.47Å; Y584-G605 WeakPolarHBondContact O-CA 3.25Å; Y584-G605 PolarHBondContact O-N 3.21Å; G603-G605 PolarHBondContact O-N 3.31Å; G605-K607 VanDerWaalsContact C-N 3.27Å; G605-K607 PolarHBondContact O-N 3.31Å; G605-L608 WeakPolarHBondContact O-CB 3.29Å; G605-L608 PolarHBondContact O-N 2.81Å; G605-T613 WeakPolarHBondContact O-CG2 3.42Å
606	A	89.8	Confident	89.6	Confident	60 Å²	60	53 Å²	53	50%	0.496	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.9	-39.2	-172.9	0	0	0	0	0	113.2	G603 L608 G609	G603-A606 WeakPolarHBondContact O-CB 3.44Å; G603-A606 PolarHBondContact O-N 2.96Å; A606-L608 VanDerWaalsContact C-N 3.27Å; A606-L608 PolarHBondContact O-N 3.31Å; A606-G609 PolarHBondContact O-N 3.46Å
607	K	86.4	Confident	90.3	Very high	119 Å²	119	53 Å²	53	52%	0.517	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-68.7	-20.6	179.8	-65	-174.3	-176.5	171.5	0	114	G605 G609	G605-K607 VanDerWaalsContact C-N 3.27Å; G605-K607 PolarHBondContact O-N 3.31Å; K607-G609 VanDerWaalsContact C-N 3.33Å
608	L	87.1	Confident	90.9	Very high	39 Å²	39	48.5 Å²	48.5	20%	0.204	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-79.8	-16.3	-178.4	-64.1	177.6	0	0	0	113.3	Y553 Y584 G605 A606 G612 T613 V616 L662	Y553-L608 HydrophobicContact CE1-CD1 4.32Å; Y584-L608 HydrophobicContact CE1-CD1 3.96Å; Y584-L608 WeakPolarHBondContact OH-CD1 3.3Å; G605-L608 WeakPolarHBondContact O-CB 3.29Å; G605-L608 PolarHBondContact O-N 2.81Å; A606-L608 VanDerWaalsContact C-N 3.27Å; A606-L608 PolarHBondContact O-N 3.31Å; L608-G612 WeakPolarHBondContact O-CA 3.44Å; L608-G612 PolarHBondContact O-N 2.82Å; L608-T613 HydrophobicContact CB-CG2 3.89Å; L608-T613 HydrophobicContact CD1-CG2 4.29Å; L608-V616 HydrophobicContact CD1-CG2 4.03Å; L608-L662 HydrophobicContact CD2-CD1 3.82Å
609	G	86.7	Confident	91.3	Very high	35 Å²	35	43 Å²	43	36%	0.361	23%	0.227	S	C	.	.	H	α-helix	trans	59	-170.6	-170.6	0	0	0	0	0	112.9	A606 K607 T613	A606-G609 PolarHBondContact O-N 3.46Å; K607-G609 VanDerWaalsContact C-N 3.33Å; G609-T613 WeakPolarHBondContact O-CB 3.46Å; G609-T613 WeakPolarHBondContact O-CG2 3.38Å; G609-T613 PolarHBondContact O-N 3.32Å; G609-T613 VanDerWaalsContact O-N 3.12Å; G609-T613 PolarHBondContact O-OG1 3.05Å
610	T	88.9	Confident	91.7	Very high	71 Å²	71	41.8 Å²	41.8	44%	0.436	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-43	-175.9	-50.2	0	0	0	0	112.5	R585 T613 L614	R585-T610 PolarHBondContact NH1-OG1 3.21Å; T610-T613 PolarHBondContact O-OG1 3.27Å; T610-L614 HydrophobicContact CG2-CD1 4.05Å; T610-L614 WeakPolarHBondContact O-CB 3.47Å; T610-L614 WeakPolarHBondContact O-CG 3.21Å; T610-L614 PolarHBondContact O-N 3.44Å
611	R	88.2	Confident	91.9	Very high	112 Å²	112	34.7 Å²	34.7	42%	0.423	19%	0.187	S	C	.	.	H	α-helix	trans	-67.1	-48	-177	-171.6	-176.5	-174.3	-135.2	-1.1	111.5	E346 L614 R615 E663	E346-R611 IonicContact OE2-CZ 2.64Å; E346-R611 IonicContact OE2-NE 3.6Å; E346-R611 PolarHBondContact OE2-NE 2.91Å; E346-R611 IonicContact OE2-NH2 3.51Å; E346-R611 PolarHBondContact OE2-NH2 3.27Å; R611-L614 PolarHBondContact O-N 3.2Å; R611-R615 WeakPolarHBondContact O-CB 3.32Å; R611-R615 PolarHBondContact O-N 3.17Å; R611-E663 IonicContact NH1-OE1 2.73Å; R611-E663 PolarHBondContact NH1-OE1 3.01Å; R611-E663 IonicContact NH1-OE2 3.2Å
612	G	89.7	Confident	92	Very high	10 Å²	10	35.6 Å²	35.6	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-42	179.9	0	0	0	0	0	112.6	L608 R615 V616	L608-G612 WeakPolarHBondContact O-CA 3.44Å; L608-G612 PolarHBondContact O-N 2.82Å; G612-R615 WeakPolarHBondContact O-CB 3.43Å; G612-R615 PolarHBondContact O-N 2.97Å; G612-V616 PolarHBondContact O-N 3.5Å; G612-V616 VanDerWaalsContact O-N 3.08Å
613	T	93.3	Very high	92.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-40.8	176.5	50	0	0	0	0	112.8	Y584 R585 G605 L608 G609 T610 R615 V616 M617	Y584-T613 HydrophobicContact CD1-CG2 3.57Å; Y584-T613 HydrophobicContact CE1-CG2 3.8Å; Y584-T613 HydrophobicContact CG-CG2 4.38Å; R585-T613 HydrophobicContact CB-CG2 3.76Å; G605-T613 WeakPolarHBondContact O-CG2 3.42Å; L608-T613 HydrophobicContact CB-CG2 3.89Å; L608-T613 HydrophobicContact CD1-CG2 4.29Å; G609-T613 WeakPolarHBondContact O-CB 3.46Å; G609-T613 WeakPolarHBondContact O-CG2 3.38Å; G609-T613 PolarHBondContact O-N 3.32Å; G609-T613 VanDerWaalsContact O-N 3.12Å; G609-T613 PolarHBondContact O-OG1 3.05Å; T610-T613 PolarHBondContact O-OG1 3.27Å; T613-R615 VanDerWaalsContact C-N 3.35Å; T613-V616 PolarHBondContact O-N 2.98Å; T613-M617 VanDerWaalsContact O-CG 3.28Å; T613-M617 WeakPolarHBondContact O-CG 3.5Å; T613-M617 PolarHBondContact O-N 3.36Å; T613-M617 VanDerWaalsContact O-N 3.13Å
614	L	93.3	Very high	92.2	Very high	51 Å²	51	37 Å²	37	27%	0.267	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-37.9	173.7	-74.7	173.6	0	0	0	112.4	A581 T610 R611 V616 M617 H618	A581-L614 HydrophobicContact CB-CD2 3.95Å; T610-L614 HydrophobicContact CG2-CD1 4.05Å; T610-L614 WeakPolarHBondContact O-CB 3.47Å; T610-L614 WeakPolarHBondContact O-CG 3.21Å; T610-L614 PolarHBondContact O-N 3.44Å; R611-L614 PolarHBondContact O-N 3.2Å; L614-V616 VanDerWaalsContact C-N 3.34Å; L614-V616 PolarHBondContact O-N 3.05Å; L614-M617 CarbonylContact O-C 3.59Å; L614-M617 WeakPolarHBondContact O-CB 3.29Å; L614-M617 PolarHBondContact O-N 3.07Å; L614-M617 VanDerWaalsContact O-N 3.12Å; L614-H618 PolarHBondContact O-CD2 3.35Å; L614-H618 PolarHBondContact O-N 3.5Å; L614-H618 PolarHBondContact O-ND1 3.44Å
615	R	92.4	Very high	92.4	Very high	22 Å²	22	34.9 Å²	34.9	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-43.2	175.3	-176.9	170.6	-65.2	155.2	4.7	112.2	E508 R611 G612 T613 M617 H618 H619	E508-R615 WeakPolarHBondContact OE2-CG 3.49Å; E508-R615 IonicContact OE2-NE 2.92Å; E508-R615 PolarHBondContact OE2-NE 2.93Å; R611-R615 WeakPolarHBondContact O-CB 3.32Å; R611-R615 PolarHBondContact O-N 3.17Å; G612-R615 WeakPolarHBondContact O-CB 3.43Å; G612-R615 PolarHBondContact O-N 2.97Å; T613-R615 VanDerWaalsContact C-N 3.35Å; R615-M617 VanDerWaalsContact C-N 3.3Å; R615-M617 PolarHBondContact O-N 2.87Å; R615-H618 PolarHBondContact O-N 3.13Å; R615-H619 WeakPolarHBondContact O-CB 3.41Å; R615-H619 PolarHBondContact O-N 3.43Å
616	V	94.8	Very high	92.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-46.8	173.2	173.4	0	0	0	0	110.3	Y553 I560 Y584 L608 G612 T613 L614 H619 L620 I660	Y553-V616 HydrophobicContact CE1-CG2 4.47Å; I560-V616 HydrophobicContact CD1-CG1 3.96Å; Y584-V616 HydrophobicContact CE1-CB 4.3Å; Y584-V616 HydrophobicContact CE1-CG1 4.21Å; Y584-V616 HydrophobicContact CE1-CG2 4.4Å; L608-V616 HydrophobicContact CD1-CG2 4.03Å; G612-V616 PolarHBondContact O-N 3.5Å; G612-V616 VanDerWaalsContact O-N 3.08Å; T613-V616 PolarHBondContact O-N 2.98Å; L614-V616 VanDerWaalsContact C-N 3.34Å; L614-V616 PolarHBondContact O-N 3.05Å; V616-H619 WeakPolarHBondContact O-CB 3.5Å; V616-H619 PolarHBondContact O-N 3.28Å; V616-L620 WeakPolarHBondContact O-CG 3.41Å; V616-L620 PolarHBondContact O-N 3.43Å; V616-I660 HydrophobicContact CB-CD1 4.2Å; V616-I660 HydrophobicContact CG1-CD1 3.93Å; V616-I660 HydrophobicContact CG2-CD1 4.02Å
617	M	95.6	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-43.3	179.9	-67.6	-64.4	170.2	0	0	112.9	I560 L577 L580 A581 Y584 T613 L614 R615 H619 L620 I621	I560-M617 HydrophobicContact CD1-CE 3.8Å; I560-M617 HydrophobicContact CD1-SD 4.36Å; I560-M617 HydrophobicContact CG1-CE 3.96Å; I560-M617 HydrophobicContact CG2-CE 4.08Å; I560-M617 HydrophobicContact CG2-SD 4.05Å; L577-M617 HydrophobicContact CD1-CB 3.63Å; L577-M617 HydrophobicContact CD1-CG 4.26Å; L577-M617 HydrophobicContact CD1-SD 4.4Å; L577-M617 HydrophobicContact CD2-CB 4.26Å; L577-M617 HydrophobicContact CG-CB 4.01Å; L580-M617 HydrophobicContact CD2-CE 4.49Å; L580-M617 HydrophobicContact CD2-SD 4.15Å; L580-M617 HydrophobicContact CG-CE 3.95Å; L580-M617 HydrophobicContact CG-SD 4.17Å; A581-M617 HydrophobicContact CB-CG 4.06Å; Y584-M617 HydrophobicContact CD1-CE 3.89Å; Y584-M617 HydrophobicContact CG-CE 4.14Å; T613-M617 VanDerWaalsContact O-CG 3.28Å; T613-M617 WeakPolarHBondContact O-CG 3.5Å; T613-M617 PolarHBondContact O-N 3.36Å; T613-M617 VanDerWaalsContact O-N 3.13Å; L614-M617 CarbonylContact O-C 3.59Å; L614-M617 WeakPolarHBondContact O-CB 3.29Å; L614-M617 PolarHBondContact O-N 3.07Å; L614-M617 VanDerWaalsContact O-N 3.12Å; R615-M617 VanDerWaalsContact C-N 3.3Å; R615-M617 PolarHBondContact O-N 2.87Å; M617-H619 VanDerWaalsContact C-N 3.33Å; M617-H619 PolarHBondContact O-N 2.92Å; M617-L620 PolarHBondContact O-N 3.48Å; M617-I621 WeakPolarHBondContact O-CG1 3.28Å; M617-I621 PolarHBondContact O-N 2.89Å
618	H	95.7	Very high	93.1	Very high	13 Å²	13	29.9 Å²	29.9	6%	0.06	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-39.5	175	-59.9	159.6	0	0	0	111.4	Y471 E508 L614 R615 L620 I621 C622	Y471-H618 AromaticContact CD1-NE2 3.68Å; Y471-H618 HydrophobicContact CD2-CB 4.32Å; Y471-H618 AromaticContact CD2-CD2 3.35Å; Y471-H618 WeakPolarHBondContact CD2-CD2 3.45Å; Y471-H618 AromaticContact CD2-CE1 3.55Å; Y471-H618 AromaticContact CD2-CG 3.54Å; Y471-H618 AromaticContact CD2-ND1 3.63Å; Y471-H618 AromaticContact CD2-NE2 3.4Å; Y471-H618 WeakPolarHBondContact CD2-NE2 3.46Å; Y471-H618 HydrophobicContact CE2-CB 4.18Å; Y471-H618 AromaticContact CE2-CD2 3.38Å; Y471-H618 WeakPolarHBondContact CE2-CD2 3.27Å; Y471-H618 AromaticContact CE2-CG 3.71Å; Y471-H618 AromaticContact CE2-NE2 3.88Å; Y471-H618 AromaticContact CG-CD2 3.75Å; Y471-H618 AromaticContact CG-CE1 3.55Å; Y471-H618 AromaticContact CG-NE2 3.3Å; Y471-H618 VanDerWaalsContact CG-NE2 3.3Å; Y471-H618 AromaticContact CZ-CD2 3.81Å; E508-H618 HydrophobicContact CG-CB 4.2Å; E508-H618 IonicContact OE1-CE1 3.61Å; E508-H618 IonicContact OE1-CG 3.26Å; E508-H618 IonicContact OE1-ND1 3.24Å; E508-H618 PolarHBondContact OE1-ND1 3.11Å; L614-H618 PolarHBondContact O-CD2 3.35Å; L614-H618 PolarHBondContact O-N 3.5Å; L614-H618 PolarHBondContact O-ND1 3.44Å; R615-H618 PolarHBondContact O-N 3.13Å; H618-L620 VanDerWaalsContact C-N 3.34Å; H618-L620 PolarHBondContact O-N 2.79Å; H618-I621 WeakPolarHBondContact O-CB 3.45Å; H618-I621 PolarHBondContact O-N 2.9Å; H618-I621 VanDerWaalsContact O-N 3.13Å; H618-C622 PolarHBondContact O-N 3.5Å; H618-C622 PolarHBondContact O-SG 2.83Å; H618-C622 VanDerWaalsContact O-SG 3.34Å
619	H	95.2	Very high	93.2	Very high	45 Å²	45	32.3 Å²	32.3	21%	0.208	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-43.3	175.6	-174	89	0	0	0	111.7	R615 V616 M617 I621 C622 E623 H659 I660	R615-H619 WeakPolarHBondContact O-CB 3.41Å; R615-H619 PolarHBondContact O-N 3.43Å; V616-H619 WeakPolarHBondContact O-CB 3.5Å; V616-H619 PolarHBondContact O-N 3.28Å; M617-H619 VanDerWaalsContact C-N 3.33Å; M617-H619 PolarHBondContact O-N 2.92Å; H619-I621 VanDerWaalsContact C-N 3.26Å; H619-I621 PolarHBondContact O-N 3.09Å; H619-C622 PolarHBondContact O-N 3.43Å; H619-E623 WeakPolarHBondContact O-CB 3.46Å; H619-E623 WeakPolarHBondContact O-CG 3.49Å; H619-E623 PolarHBondContact O-N 3.3Å; H619-H659 PolarHBondContact CE1-O 3.02Å; H619-H659 VanDerWaalsContact CE1-O 3.31Å; H619-H659 PolarHBondContact NE2-O 3.41Å; H619-I660 HydrophobicContact CB-CD1 4.07Å; H619-I660 HydrophobicContact CB-CG1 4.43Å
620	L	96.8	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-29.5	175.8	-63.7	-179.9	0	0	0	113.4	A557 I560 V616 M617 H618 Q624 I625 L626 V658	A557-L620 HydrophobicContact CB-CD2 3.74Å; I560-L620 HydrophobicContact CB-CD1 4.1Å; I560-L620 HydrophobicContact CD1-CD1 3.65Å; I560-L620 HydrophobicContact CG1-CD1 4.45Å; I560-L620 HydrophobicContact CG2-CD1 3.69Å; V616-L620 WeakPolarHBondContact O-CG 3.41Å; V616-L620 PolarHBondContact O-N 3.43Å; M617-L620 PolarHBondContact O-N 3.48Å; H618-L620 VanDerWaalsContact C-N 3.34Å; H618-L620 PolarHBondContact O-N 2.79Å; L620-Q624 PolarHBondContact O-N 3.41Å; L620-I625 HydrophobicContact CB-CB 4.45Å; L620-I625 HydrophobicContact CD2-CB 4.48Å; L620-I625 HydrophobicContact CD2-CD1 3.67Å; L620-I625 HydrophobicContact CD2-CG2 4.48Å; L620-I625 WeakPolarHBondContact O-CB 3.36Å; L620-I625 PolarHBondContact O-N 2.99Å; L620-L626 HydrophobicContact CB-CD1 4.2Å; L620-L626 HydrophobicContact CB-CG 4.37Å; L620-L626 HydrophobicContact CD1-CD1 4.31Å; L620-L626 PolarHBondContact O-N 2.83Å; L620-L626 VanDerWaalsContact O-N 3.13Å; L620-V658 HydrophobicContact CD2-CG1 3.98Å; L620-V658 HydrophobicContact CD2-CG2 4.24Å
621	I	96.4	Very high	93.3	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-71.8	-46.4	172.7	-66.8	171.3	0	0	0	110.5	Y471 L501 L577 M617 H618 H619 E623 Q624 L626 E628 L642	Y471-I621 VanDerWaalsContact OH-CD1 3.26Å; Y471-I621 WeakPolarHBondContact OH-CD1 3.41Å; L501-I621 HydrophobicContact CD2-CG2 3.77Å; L577-I621 HydrophobicContact CD1-CD1 3.66Å; L577-I621 HydrophobicContact CD1-CG1 4.43Å; L577-I621 HydrophobicContact CD2-CD1 3.78Å; L577-I621 HydrophobicContact CG-CD1 4.31Å; M617-I621 WeakPolarHBondContact O-CG1 3.28Å; M617-I621 PolarHBondContact O-N 2.89Å; H618-I621 WeakPolarHBondContact O-CB 3.45Å; H618-I621 PolarHBondContact O-N 2.9Å; H618-I621 VanDerWaalsContact O-N 3.13Å; H619-I621 VanDerWaalsContact C-N 3.26Å; H619-I621 PolarHBondContact O-N 3.09Å; I621-E623 VanDerWaalsContact C-N 3.27Å; I621-E623 PolarHBondContact O-N 3.2Å; I621-Q624 PolarHBondContact O-N 3.06Å; I621-L626 WeakPolarHBondContact CA-O 3.17Å; I621-L626 HydrophobicContact CG1-CB 4.12Å; I621-E628 HydrophobicContact CD1-CG 3.85Å; I621-L642 HydrophobicContact CD1-CD2 4.34Å
622	C	94.8	Very high	93.1	Very high	19 Å²	19	30.8 Å²	30.8	13%	0.128	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-37.2	177.3	-68.2	0	0	0	0	112.2	A505 H618 H619 Q624	A505-C622 HydrophobicContact CB-CB 4.21Å; H618-C622 PolarHBondContact O-N 3.5Å; H618-C622 PolarHBondContact O-SG 2.83Å; H618-C622 VanDerWaalsContact O-SG 3.34Å; H619-C622 PolarHBondContact O-N 3.43Å; C622-Q624 PolarHBondContact O-N 2.84Å
623	E	93.6	Very high	92.8	Very high	72 Å²	72	33.1 Å²	33.1	34%	0.336	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4	175.7	-70.9	-61.2	136.8	0	0	113.9	H619 I621 I625 Q647 K656	H619-E623 WeakPolarHBondContact O-CB 3.46Å; H619-E623 WeakPolarHBondContact O-CG 3.49Å; H619-E623 PolarHBondContact O-N 3.3Å; I621-E623 VanDerWaalsContact C-N 3.27Å; I621-E623 PolarHBondContact O-N 3.2Å; E623-I625 HydrophobicContact CB-CD1 3.95Å; E623-I625 HydrophobicContact CB-CG1 4.25Å; E623-I625 PolarHBondContact O-N 3.37Å; E623-I625 VanDerWaalsContact O-N 3.13Å; E623-Q647 WeakPolarHBondContact O-CG 3.44Å; E623-K656 IonicContact OE2-NZ 3.57Å; E623-K656 PolarHBondContact OE2-NZ 3.27Å
624	Q	94.3	Very high	92.3	Very high	60 Å²	60	38.6 Å²	38.6	28%	0.28	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	29.6	-177.8	-55.8	-174.1	8	0	0	114	L620 I621 C622 G645 P646 Q647	L620-Q624 PolarHBondContact O-N 3.41Å; I621-Q624 PolarHBondContact O-N 3.06Å; C622-Q624 PolarHBondContact O-N 2.84Å; Q624-G645 CarbonylContact O-C 3.57Å; Q624-G645 VanDerWaalsContact O-C 3.28Å; Q624-G645 VanDerWaalsContact O-CA 3.24Å; Q624-G645 WeakPolarHBondContact O-CA 3.46Å; Q624-P646 HydrophobicContact CB-CG 4.03Å; Q624-P646 WeakPolarHBondContact O-CD 3.38Å; Q624-P646 VanDerWaalsContact OE1-CG 3.27Å; Q624-Q647 HydrophobicContact CB-CG 4.19Å; Q624-Q647 WeakPolarHBondContact O-CB 3.3Å; Q624-Q647 PolarHBondContact O-N 3.39Å
625	I	96.9	Very high	91.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-78.5	-41.5	169.8	-67.9	161	0	0	0	108.7	V561 L620 E623 G645 Q647 L651 K656 V658	V561-I625 HydrophobicContact CG2-CG2 3.53Å; L620-I625 HydrophobicContact CB-CB 4.45Å; L620-I625 HydrophobicContact CD2-CB 4.48Å; L620-I625 HydrophobicContact CD2-CD1 3.67Å; L620-I625 HydrophobicContact CD2-CG2 4.48Å; L620-I625 WeakPolarHBondContact O-CB 3.36Å; L620-I625 PolarHBondContact O-N 2.99Å; E623-I625 HydrophobicContact CB-CD1 3.95Å; E623-I625 HydrophobicContact CB-CG1 4.25Å; E623-I625 PolarHBondContact O-N 3.37Å; E623-I625 VanDerWaalsContact O-N 3.13Å; I625-G645 PolarHBondContact O-N 3.06Å; I625-Q647 HydrophobicContact CG1-CB 4.07Å; I625-L651 HydrophobicContact CD1-CD2 4.09Å; I625-L651 HydrophobicContact CG1-CD2 4.43Å; I625-L651 HydrophobicContact CG2-CD2 3.79Å; I625-K656 HydrophobicContact CD1-CD 4.3Å; I625-K656 HydrophobicContact CG1-CD 4.23Å; I625-V658 HydrophobicContact CD1-CG2 3.51Å
626	L	96.2	Very high	91.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.4	167.8	-61.5	175.6	0	0	0	108.9	I560 Y564 L580 L620 I621 L642 L644	I560-L626 HydrophobicContact CG2-CD1 4.19Å; Y564-L626 HydrophobicContact CG-CD2 4.46Å; L580-L626 HydrophobicContact CD2-CD1 4.06Å; L620-L626 HydrophobicContact CB-CD1 4.2Å; L620-L626 HydrophobicContact CB-CG 4.37Å; L620-L626 HydrophobicContact CD1-CD1 4.31Å; L620-L626 PolarHBondContact O-N 2.83Å; L620-L626 VanDerWaalsContact O-N 3.13Å; I621-L626 WeakPolarHBondContact CA-O 3.17Å; I621-L626 HydrophobicContact CG1-CB 4.12Å; L626-L642 HydrophobicContact CB-CD2 4.43Å; L626-L642 HydrophobicContact CD1-CD1 4.42Å; L626-L644 HydrophobicContact CD2-CD2 4.48Å
627	V	94.2	Very high	90.5	Very high	50 Å²	50	52.4 Å²	52.4	30%	0.303	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.8	170	-62.4	0	0	0	0	109.8	L642 R643	V627-L642 CarbonylContact O-C 3.54Å; V627-L642 WeakPolarHBondContact O-CA 3.33Å; V627-R643 HydrophobicContact CG2-CB 3.7Å; V627-R643 PolarHBondContact N-O 2.78Å; V627-R643 PolarHBondContact O-N 2.97Å
628	E	92	Very high	90	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.5	-179.4	-77.4	-175.6	118.4	0	0	110.5	Y471 R478 I621 S640 Y641 L642	Y471-E628 VanDerWaalsContact OH-CD 3.28Å; Y471-E628 PolarHBondContact OH-OE2 2.83Å; R478-E628 IonicContact CZ-OE2 3.1Å; R478-E628 IonicContact NH1-OE2 3.78Å; R478-E628 PolarHBondContact NH1-OE2 3.33Å; R478-E628 VanDerWaalsContact NH1-OE2 3.12Å; R478-E628 IonicContact NH2-OE2 3.38Å; R478-E628 PolarHBondContact NH2-OE2 3.3Å; I621-E628 HydrophobicContact CD1-CG 3.85Å; E628-S640 VanDerWaalsContact CB-OG 3.31Å; E628-S640 WeakPolarHBondContact CB-OG 3.31Å; E628-S640 VanDerWaalsContact CG-OG 3.25Å; E628-S640 WeakPolarHBondContact CG-OG 3.43Å; E628-S640 PolarHBondContact OE1-OG 2.94Å; E628-Y641 WeakPolarHBondContact CA-O 3.4Å; E628-L642 HydrophobicContact CG-CD2 3.81Å
629	Q	89.3	Confident	89.6	Confident	89 Å²	89	55.6 Å²	55.6	42%	0.416	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.2	173.6	-170.6	176.7	9.2	0	0	108.9	F631 Y641 R643	Q629-F631 HydrophobicContact CB-CE2 3.82Å; Q629-F631 HydrophobicContact CG-CD2 4.3Å; Q629-F631 HydrophobicContact CG-CE2 3.53Å; Q629-F631 HydrophobicContact CG-CZ 3.89Å; Q629-F631 WeakPolarHBondContact O-CD2 3.27Å; Q629-Y641 PolarHBondContact N-O 3.35Å; Q629-Y641 PolarHBondContact O-N 2.9Å; Q629-R643 HydrophobicContact CB-CG 4.4Å
630	L	89.5	Confident	89.4	Confident	24 Å²	24	54 Å²	54	13%	0.126	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	136.2	-179.7	-59.3	-175.1	0	0	0	110.7	I475 R478 V638	I475-L630 HydrophobicContact CG2-CD2 3.95Å; R478-L630 HydrophobicContact CB-CD1 3.57Å; L630-V638 HydrophobicContact CB-CG1 4.04Å; L630-V638 HydrophobicContact CD1-CG1 4.34Å; L630-V638 HydrophobicContact CD2-CG1 3.92Å; L630-V638 HydrophobicContact CG-CG1 4.32Å
631	F	86.9	Confident	89.2	Confident	78 Å²	78	56.3 Å²	56.3	34%	0.342	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121	174.4	-68.9	-97.2	0	0	0	109.3	Q629 V638 V639 Y641	Q629-F631 HydrophobicContact CB-CE2 3.82Å; Q629-F631 HydrophobicContact CG-CD2 4.3Å; Q629-F631 HydrophobicContact CG-CE2 3.53Å; Q629-F631 HydrophobicContact CG-CZ 3.89Å; Q629-F631 WeakPolarHBondContact O-CD2 3.27Å; F631-V638 WeakPolarHBondContact O-CA 3.44Å; F631-V639 PolarHBondContact N-O 2.81Å; F631-V639 PolarHBondContact O-N 3.25Å; F631-Y641 HydrophobicContact CB-CD2 4.45Å; F631-Y641 HydrophobicContact CB-CE2 4.35Å; F631-Y641 AromaticContact CD2-CD2 3.41Å; F631-Y641 HydrophobicContact CD2-CD2 3.41Å; F631-Y641 VanDerWaalsContact CD2-CD2 3.41Å; F631-Y641 HydrophobicContact CD2-CE2 4.09Å; F631-Y641 HydrophobicContact CD2-CG 4.4Å; F631-Y641 AromaticContact CE2-CD2 3.76Å; F631-Y641 HydrophobicContact CE2-CD2 3.76Å; F631-Y641 HydrophobicContact CG-CD2 4.05Å; F631-Y641 HydrophobicContact CG-CE2 4.29Å
632	T	83.6	Confident	89.1	Confident	85 Å²	85	56.1 Å²	56.1	52%	0.521	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.1	173	-51.3	0	0	0	0	108.6	D636	T632-D636 WeakPolarHBondContact CG2-OD1 3.39Å
633	T	85	Confident	89.1	Confident	59 Å²	59	58.4 Å²	58.4	36%	0.362	31%	0.313	S	S	.	.			trans	-76.3	168.9	175.4	66.3	0	0	0	0	110.8	M635 D636 H637 V639	T633-M635 PolarHBondContact O-N 2.97Å; T633-M635 VanDerWaalsContact O-N 3.08Å; T633-D636 PolarHBondContact O-N 3.28Å; T633-H637 PolarHBondContact N-O 3.2Å; T633-H637 WeakPolarHBondContact OG1-CB 3.25Å; T633-H637 PolarHBondContact OG1-N 2.99Å; T633-H637 PolarHBondContact OG1-O 3.36Å; T633-H637 VanDerWaalsContact OG1-O 3.07Å; T633-V639 HydrophobicContact CG2-CG2 3.97Å
634	A	81.8	Confident	89.1	Confident	115 Å²	115	58.3 Å²	58.3	95%	0.95	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.2	177.5	0	0	0	0	0	114
635	M	83.4	Confident	89.2	Confident	145 Å²	145	55.9 Å²	55.9	71%	0.714	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	19.6	176.3	-57	-154.4	-54.9	0	0	113.3	T633 H637	T633-M635 PolarHBondContact O-N 2.97Å; T633-M635 VanDerWaalsContact O-N 3.08Å; M635-H637 PolarHBondContact O-N 3.31Å
636	D	78	Confident	89	Confident	103 Å²	103	60 Å²	60	55%	0.551	33%	0.332	S	S	*	.	S	Bend	trans	61.2	11.3	-178.4	-163.5	39.7	0	0	0	115.7	K479 T632 T633	K479-D636 PolarHBondContact NZ-O 2.98Å; K479-D636 IonicContact NZ-OD1 3.51Å; K479-D636 PolarHBondContact NZ-OD1 2.65Å; K479-D636 IonicContact NZ-OD2 3.76Å; K479-D636 PolarHBondContact NZ-OD2 3.25Å; T632-D636 WeakPolarHBondContact CG2-OD1 3.39Å; T633-D636 PolarHBondContact O-N 3.28Å
637	H	81	Confident	88.9	Confident	116 Å²	116	63.5 Å²	63.5	54%	0.537	35%	0.348	S	S	.	.			trans	-76.5	134.6	169.2	-63	-58.9	0	0	0	110.5	T633 M635	T633-H637 PolarHBondContact N-O 3.2Å; T633-H637 WeakPolarHBondContact OG1-CB 3.25Å; T633-H637 PolarHBondContact OG1-N 2.99Å; T633-H637 PolarHBondContact OG1-O 3.36Å; T633-H637 VanDerWaalsContact OG1-O 3.07Å; M635-H637 PolarHBondContact O-N 3.31Å
638	V	84.7	Confident	89	Confident	38 Å²	38	61.3 Å²	61.3	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.8	176.9	177.8	0	0	0	0	110.2	I475 K479 L630 F631	I475-V638 HydrophobicContact CG2-CG1 3.97Å; K479-V638 HydrophobicContact CB-CG2 4.26Å; K479-V638 HydrophobicContact CD-CG2 3.35Å; K479-V638 VanDerWaalsContact CE-CG2 3.43Å; K479-V638 HydrophobicContact CG-CG2 3.69Å; L630-V638 HydrophobicContact CB-CG1 4.04Å; L630-V638 HydrophobicContact CD1-CG1 4.34Å; L630-V638 HydrophobicContact CD2-CG1 3.92Å; L630-V638 HydrophobicContact CG-CG1 4.32Å; F631-V638 WeakPolarHBondContact O-CA 3.44Å
639	V	87.9	Confident	89.1	Confident	42 Å²	42	66.2 Å²	66.2	26%	0.255	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.2	172	-174.6	0	0	0	0	108.8	T576 F631 T633 Y641	T576-V639 HydrophobicContact CG2-CG1 4.28Å; F631-V639 PolarHBondContact N-O 2.81Å; F631-V639 PolarHBondContact O-N 3.25Å; T633-V639 HydrophobicContact CG2-CG2 3.97Å; V639-Y641 HydrophobicContact CB-CE2 4.33Å; V639-Y641 HydrophobicContact CG1-CD1 4.31Å; V639-Y641 HydrophobicContact CG1-CD2 4.47Å; V639-Y641 HydrophobicContact CG1-CE1 3.77Å; V639-Y641 HydrophobicContact CG1-CE2 3.93Å
640	S	90.6	Very high	89.3	Confident	13 Å²	13	63.1 Å²	63.1	9%	0.091	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.3	175.9	-179	0	0	0	0	109.8	E628	E628-S640 VanDerWaalsContact CB-OG 3.31Å; E628-S640 WeakPolarHBondContact CB-OG 3.31Å; E628-S640 VanDerWaalsContact CG-OG 3.25Å; E628-S640 WeakPolarHBondContact CG-OG 3.43Å; E628-S640 PolarHBondContact OE1-OG 2.94Å
641	Y	92.7	Very high	89.5	Confident	47 Å²	47	62.1 Å²	62.1	18%	0.184	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.5	172.7	-63.4	-62.2	0	0	0	110.9	R574 C575 T576 E628 Q629 F631 V639	R574-Y641 HydrophobicContact CB-CD1 4.09Å; R574-Y641 HydrophobicContact CB-CE1 3.73Å; R574-Y641 HydrophobicContact CG-CE1 4.32Å; R574-Y641 HydrophobicContact CG-CE2 4.43Å; C575-Y641 WeakPolarHBondContact O-CA 3.29Å; T576-Y641 HydrophobicContact CG2-CD1 3.73Å; T576-Y641 HydrophobicContact CG2-CE1 3.75Å; E628-Y641 WeakPolarHBondContact CA-O 3.4Å; Q629-Y641 PolarHBondContact N-O 3.35Å; Q629-Y641 PolarHBondContact O-N 2.9Å; F631-Y641 HydrophobicContact CB-CD2 4.45Å; F631-Y641 HydrophobicContact CB-CE2 4.35Å; F631-Y641 AromaticContact CD2-CD2 3.41Å; F631-Y641 HydrophobicContact CD2-CD2 3.41Å; F631-Y641 VanDerWaalsContact CD2-CD2 3.41Å; F631-Y641 HydrophobicContact CD2-CE2 4.09Å; F631-Y641 HydrophobicContact CD2-CG 4.4Å; F631-Y641 AromaticContact CE2-CD2 3.76Å; F631-Y641 HydrophobicContact CE2-CD2 3.76Å; F631-Y641 HydrophobicContact CG-CD2 4.05Å; F631-Y641 HydrophobicContact CG-CE2 4.29Å; V639-Y641 HydrophobicContact CB-CE2 4.33Å; V639-Y641 HydrophobicContact CG1-CD1 4.31Å; V639-Y641 HydrophobicContact CG1-CD2 4.47Å; V639-Y641 HydrophobicContact CG1-CE1 3.77Å; V639-Y641 HydrophobicContact CG1-CE2 3.93Å
642	L	94.2	Very high	89.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	150.1	-179.4	-66.4	174.3	0	0	0	112.7	Y564 C575 L577 L580 I621 L626 V627 E628	Y564-L642 HydrophobicContact CD2-CB 4.01Å; Y564-L642 HydrophobicContact CD2-CD1 4.48Å; Y564-L642 HydrophobicContact CE2-CB 3.66Å; Y564-L642 PolarHBondContact OH-O 2.87Å; Y564-L642 VanDerWaalsContact OH-O 3.04Å; C575-L642 PolarHBondContact O-N 3.31Å; L577-L642 HydrophobicContact CB-CD1 4.43Å; L577-L642 HydrophobicContact CB-CD2 4.38Å; L577-L642 HydrophobicContact CD1-CD1 3.96Å; L577-L642 HydrophobicContact CD1-CD2 3.86Å; L577-L642 HydrophobicContact CD1-CG 4.43Å; L580-L642 HydrophobicContact CB-CD1 4.25Å; L580-L642 HydrophobicContact CD2-CD1 3.7Å; I621-L642 HydrophobicContact CD1-CD2 4.34Å; L626-L642 HydrophobicContact CB-CD2 4.43Å; L626-L642 HydrophobicContact CD1-CD1 4.42Å; V627-L642 CarbonylContact O-C 3.54Å; V627-L642 WeakPolarHBondContact O-CA 3.33Å; E628-L642 HydrophobicContact CG-CD2 3.81Å
643	R	94.6	Very high	90.3	Very high	67 Å²	67	59.7 Å²	59.7	25%	0.253	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160.8	168.9	-61.6	-71.2	174.3	-110.9	5.1	109.1	Y564 D568 G573 V627 Q629 G645	Y564-R643 WeakPolarHBondContact OH-CA 3.48Å; D568-R643 IonicContact OD1-NH1 3.39Å; D568-R643 PolarHBondContact OD1-NH1 2.86Å; G573-R643 PolarHBondContact O-NH1 3.45Å; G573-R643 PolarHBondContact O-NH2 2.63Å; G573-R643 VanDerWaalsContact O-NH2 3.08Å; V627-R643 HydrophobicContact CG2-CB 3.7Å; V627-R643 PolarHBondContact N-O 2.78Å; V627-R643 PolarHBondContact O-N 2.97Å; Q629-R643 HydrophobicContact CB-CG 4.4Å; R643-G645 PolarHBondContact O-N 3.07Å
644	L	95.2	Very high	90.5	Very high	69 Å²	69	58.8 Å²	58.8	36%	0.361	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.7	168	-65.1	179.7	0	0	0	109.8	V561 Y564 K565 L626 A648	V561-L644 HydrophobicContact CG1-CD2 3.85Å; Y564-L644 HydrophobicContact CD1-CD2 3.44Å; Y564-L644 VanDerWaalsContact CD1-CD2 3.44Å; Y564-L644 HydrophobicContact CD1-CG 4.01Å; Y564-L644 HydrophobicContact CE1-CD2 3.63Å; Y564-L644 HydrophobicContact CE1-CG 3.66Å; K565-L644 HydrophobicContact CD-CD1 4.48Å; K565-L644 HydrophobicContact CG-CD1 4.18Å; L626-L644 HydrophobicContact CD2-CD2 4.48Å; L644-A648 HydrophobicContact CB-CB 4.21Å; L644-A648 HydrophobicContact CD2-CB 4.12Å
645	G	94.7	Very high	90.8	Very high	9 Å²	9	58 Å²	58	9%	0.093	32%	0.317	C	S	.	.			trans	-83.2	169.8	172	0	0	0	0	0	112.7	Q624 I625 R643 Q647 A648	Q624-G645 CarbonylContact O-C 3.57Å; Q624-G645 VanDerWaalsContact O-C 3.28Å; Q624-G645 VanDerWaalsContact O-CA 3.24Å; Q624-G645 WeakPolarHBondContact O-CA 3.46Å; I625-G645 PolarHBondContact O-N 3.06Å; R643-G645 PolarHBondContact O-N 3.07Å; G645-Q647 PolarHBondContact O-N 3.2Å; G645-A648 WeakPolarHBondContact O-CB 3.43Å; G645-A648 PolarHBondContact O-N 3.36Å
646	P	93.2	Very high	91	Very high	87 Å²	87	52.5 Å²	52.5	57%	0.565	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.6	-178.8	24.8	-35	0	0	0	113.8	Q624	Q624-P646 HydrophobicContact CB-CG 4.03Å; Q624-P646 WeakPolarHBondContact O-CD 3.38Å; Q624-P646 VanDerWaalsContact OE1-CG 3.27Å
647	Q	94.5	Very high	91.7	Very high	73 Å²	73	51.6 Å²	51.6	34%	0.341	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.2	-178.6	-61.4	-60.8	-44.4	0	0	113.8	E623 Q624 I625 G645 Q649 A650 L651 K656	E623-Q647 WeakPolarHBondContact O-CG 3.44Å; Q624-Q647 HydrophobicContact CB-CG 4.19Å; Q624-Q647 WeakPolarHBondContact O-CB 3.3Å; Q624-Q647 PolarHBondContact O-N 3.39Å; I625-Q647 HydrophobicContact CG1-CB 4.07Å; G645-Q647 PolarHBondContact O-N 3.2Å; Q647-Q649 VanDerWaalsContact C-N 3.31Å; Q647-Q649 PolarHBondContact O-N 3.28Å; Q647-A650 PolarHBondContact O-N 3.43Å; Q647-L651 PolarHBondContact O-N 3.45Å; Q647-L651 VanDerWaalsContact O-N 3.08Å; Q647-K656 HydrophobicContact CB-CD 3.78Å; Q647-K656 HydrophobicContact CG-CD 4.37Å
648	A	95.5	Very high	92.2	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-40.1	-179.2	0	0	0	0	0	112.5	V561 L644 G645 L652	V561-A648 HydrophobicContact CG1-CB 4.46Å; L644-A648 HydrophobicContact CB-CB 4.21Å; L644-A648 HydrophobicContact CD2-CB 4.12Å; G645-A648 WeakPolarHBondContact O-CB 3.43Å; G645-A648 PolarHBondContact O-N 3.36Å; A648-L652 WeakPolarHBondContact O-CG 3.48Å; A648-L652 PolarHBondContact O-N 3.21Å; A648-L652 VanDerWaalsContact O-N 3.11Å
649	Q	94.6	Very high	92.6	Very high	127 Å²	127	45.1 Å²	45.1	59%	0.593	25%	0.248	S	C	*	.	H	α-helix	trans	-71.7	-38.4	179.8	-171.4	60.8	23.1	0	0	111.8	Q647 L651 L652 S653	Q647-Q649 VanDerWaalsContact C-N 3.31Å; Q647-Q649 PolarHBondContact O-N 3.28Å; Q649-L651 VanDerWaalsContact C-N 3.3Å; Q649-L651 PolarHBondContact O-N 2.93Å; Q649-L652 PolarHBondContact O-N 2.95Å; Q649-S653 WeakPolarHBondContact O-CB 3.43Å; Q649-S653 PolarHBondContact O-N 3.45Å; Q649-S653 PolarHBondContact O-OG 2.98Å
650	A	93.4	Very high	92.7	Very high	25 Å²	25	43.3 Å²	43.3	21%	0.207	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-43.9	175.8	0	0	0	0	0	110.8	Q647 S653 G654 N655 K656	Q647-A650 PolarHBondContact O-N 3.43Å; A650-S653 WeakPolarHBondContact CA-OG 3.46Å; A650-S653 PolarHBondContact O-N 2.84Å; A650-S653 PolarHBondContact O-OG 3.47Å; A650-G654 PolarHBondContact O-N 3.26Å; A650-N655 HydrophobicContact CB-CB 4.47Å; A650-N655 PolarHBondContact O-N 3.05Å; A650-K656 HydrophobicContact CB-CB 4.04Å; A650-K656 PolarHBondContact O-N 3.37Å
651	L	94.7	Very high	92.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-54	174.1	177.1	66.9	0	0	0	112	T554 A557 V561 I625 Q647 Q649 S653 G654 K656 V658	T554-L651 HydrophobicContact CG2-CD1 3.91Å; A557-L651 HydrophobicContact CB-CD1 4.34Å; A557-L651 HydrophobicContact CB-CD2 3.78Å; V561-L651 HydrophobicContact CG2-CD2 4.07Å; I625-L651 HydrophobicContact CD1-CD2 4.09Å; I625-L651 HydrophobicContact CG1-CD2 4.43Å; I625-L651 HydrophobicContact CG2-CD2 3.79Å; Q647-L651 PolarHBondContact O-N 3.45Å; Q647-L651 VanDerWaalsContact O-N 3.08Å; Q649-L651 VanDerWaalsContact C-N 3.3Å; Q649-L651 PolarHBondContact O-N 2.93Å; L651-S653 PolarHBondContact O-N 3.03Å; L651-G654 PolarHBondContact O-N 3.21Å; L651-K656 HydrophobicContact CB-CB 4.47Å; L651-K656 VanDerWaalsContact CD1-O 3.28Å; L651-K656 WeakPolarHBondContact CD1-O 3.46Å; L651-V658 HydrophobicContact CD1-CG2 3.84Å
652	L	94.2	Very high	92.5	Very high	51 Å²	51	42.6 Å²	42.6	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-26.7	-178.2	-67.7	175.9	0	0	0	113.4	C558 V561 Q562 K565 A648 Q649 G654	C558-L652 HydrophobicContact CB-CD2 4.31Å; V561-L652 HydrophobicContact CB-CD2 4.45Å; V561-L652 HydrophobicContact CG1-CD1 3.84Å; V561-L652 HydrophobicContact CG1-CD2 4.2Å; V561-L652 HydrophobicContact CG1-CG 4.16Å; Q562-L652 HydrophobicContact CG-CD2 4.37Å; K565-L652 VanDerWaalsContact NZ-CD1 3.26Å; A648-L652 WeakPolarHBondContact O-CG 3.48Å; A648-L652 PolarHBondContact O-N 3.21Å; A648-L652 VanDerWaalsContact O-N 3.11Å; Q649-L652 PolarHBondContact O-N 2.95Å; L652-G654 VanDerWaalsContact C-N 3.31Å
653	S	93	Very high	91.8	Very high	61 Å²	61	47 Å²	47	43%	0.427	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.3	175.1	65.1	0	0	0	0	114.3	Q649 A650 L651 N655	Q649-S653 WeakPolarHBondContact O-CB 3.43Å; Q649-S653 PolarHBondContact O-N 3.45Å; Q649-S653 PolarHBondContact O-OG 2.98Å; A650-S653 WeakPolarHBondContact CA-OG 3.46Å; A650-S653 PolarHBondContact O-N 2.84Å; A650-S653 PolarHBondContact O-OG 3.47Å; L651-S653 PolarHBondContact O-N 3.03Å; S653-N655 VanDerWaalsContact C-N 3.27Å; S653-N655 PolarHBondContact O-N 2.84Å; S653-N655 PolarHBondContact OG-ND2 3.46Å
654	G	89	Confident	90.3	Very high	40 Å²	40	47.5 Å²	47.5	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	1.2	-176.3	0	0	0	0	0	115	A650 L651 L652 K656	A650-G654 PolarHBondContact O-N 3.26Å; L651-G654 PolarHBondContact O-N 3.21Å; L652-G654 VanDerWaalsContact C-N 3.31Å; G654-K656 VanDerWaalsContact C-N 3.28Å; G654-K656 PolarHBondContact O-N 2.91Å
655	N	87	Confident	88.3	Confident	98 Å²	98	48.4 Å²	48.4	52%	0.524	28%	0.279	S	S	.	.	S	Bend	trans	-82.7	-0.1	179.6	-67.4	-43.3	0	0	0	113.7	A650 S653	A650-N655 HydrophobicContact CB-CB 4.47Å; A650-N655 PolarHBondContact O-N 3.05Å; S653-N655 VanDerWaalsContact C-N 3.27Å; S653-N655 PolarHBondContact O-N 2.84Å; S653-N655 PolarHBondContact OG-ND2 3.46Å
656	K	89.1	Confident	85.9	Confident	31 Å²	31	52.2 Å²	52.2	14%	0.135	32%	0.318	C	S	.	.			trans	-141.1	131.8	174.9	-177.8	177.3	177.3	70	0	109.7	E623 I625 Q647 A650 L651 G654	E623-K656 IonicContact OE2-NZ 3.57Å; E623-K656 PolarHBondContact OE2-NZ 3.27Å; I625-K656 HydrophobicContact CD1-CD 4.3Å; I625-K656 HydrophobicContact CG1-CD 4.23Å; Q647-K656 HydrophobicContact CB-CD 3.78Å; Q647-K656 HydrophobicContact CG-CD 4.37Å; A650-K656 HydrophobicContact CB-CB 4.04Å; A650-K656 PolarHBondContact O-N 3.37Å; L651-K656 HydrophobicContact CB-CB 4.47Å; L651-K656 VanDerWaalsContact CD1-O 3.28Å; L651-K656 WeakPolarHBondContact CD1-O 3.46Å; G654-K656 VanDerWaalsContact C-N 3.28Å; G654-K656 PolarHBondContact O-N 2.91Å
657	K	90.9	Very high	83.3	Confident	84 Å²	84	51.1 Å²	51.1	37%	0.365	32%	0.316	S	S	.	.			trans	-105.7	153.7	174.5	-64.8	-71	-160.7	158.6	0	110.1	T554 E683	T554-K657 HydrophobicContact CG2-CD 3.76Å; T554-K657 WeakPolarHBondContact OG1-CA 2.87Å; T554-K657 WeakPolarHBondContact OG1-CD 3.46Å; K657-E683 VanDerWaalsContact CG-OE2 3.32Å; K657-E683 WeakPolarHBondContact CG-OE2 3.46Å
658	V	92.5	Very high	80.8	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	34%	0.34	C	S	.	.			trans	-123.8	113.8	-178.2	178.4	0	0	0	0	109.2	Y553 T554 A557 L620 I625 L651 I660	Y553-V658 PolarHBondContact N-O 2.86Å; T554-V658 PolarHBondContact N-O 3.06Å; T554-V658 PolarHBondContact OG1-N 3.38Å; A557-V658 HydrophobicContact CB-CB 4.08Å; A557-V658 HydrophobicContact CB-CG1 4.31Å; A557-V658 HydrophobicContact CB-CG2 3.8Å; L620-V658 HydrophobicContact CD2-CG1 3.98Å; L620-V658 HydrophobicContact CD2-CG2 4.24Å; I625-V658 HydrophobicContact CD1-CG2 3.51Å; L651-V658 HydrophobicContact CD1-CG2 3.84Å; V658-I660 HydrophobicContact CG1-CD1 3.96Å; V658-I660 HydrophobicContact CG1-CG1 3.98Å
659	H	92.1	Very high	78.6	Confident	15 Å²	15	58 Å²	58	7%	0.069	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.6	178.9	-58.7	104.7	0	0	0	110.5	L550 F551 H619 M680 E683	L550-H659 HydrophobicContact CD1-CB 3.91Å; L550-H659 HydrophobicContact CD2-CB 4.37Å; L550-H659 HydrophobicContact CG-CB 4.15Å; F551-H659 VanDerWaalsContact O-CA 3.29Å; F551-H659 WeakPolarHBondContact O-CA 3.39Å; H619-H659 PolarHBondContact CE1-O 3.02Å; H619-H659 VanDerWaalsContact CE1-O 3.31Å; H619-H659 PolarHBondContact NE2-O 3.41Å; H659-M680 HydrophobicContact CB-CB 4.49Å; H659-M680 HydrophobicContact CB-CG 4.07Å; H659-M680 HydrophobicContact CB-SD 3.85Å; H659-M680 WeakPolarHBondContact ND1-CG 3.24Å; H659-E683 IonicContact CE1-OE2 2.74Å; H659-E683 PolarHBondContact CE1-OE2 2.83Å; H659-E683 IonicContact NE2-OE2 3.35Å; H659-E683 PolarHBondContact NE2-OE2 2.97Å
660	I	92	Very high	76.5	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.1	-171.9	-50.8	-177.3	0	0	0	110.1	F551 Y553 V616 H619 V658 L662	F551-I660 PolarHBondContact N-O 3.25Å; F551-I660 PolarHBondContact O-N 2.91Å; Y553-I660 HydrophobicContact CD2-CB 4.32Å; Y553-I660 HydrophobicContact CG-CD1 4.22Å; V616-I660 HydrophobicContact CB-CD1 4.2Å; V616-I660 HydrophobicContact CG1-CD1 3.93Å; V616-I660 HydrophobicContact CG2-CD1 4.02Å; H619-I660 HydrophobicContact CB-CD1 4.07Å; H619-I660 HydrophobicContact CB-CG1 4.43Å; V658-I660 HydrophobicContact CG1-CD1 3.96Å; V658-I660 HydrophobicContact CG1-CG1 3.98Å; I660-L662 HydrophobicContact CG2-CD2 4.19Å; I660-L662 HydrophobicContact CG2-CG 4.1Å
661	Y	90.5	Very high	74.6	Confident	37 Å²	37	63.9 Å²	63.9	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.2	169.4	-81.4	-71	0	0	0	110.7	V512 P548 S549 L550 E677	V512-Y661 HydrophobicContact CG2-CE2 3.78Å; P548-Y661 HydrophobicContact CB-CD1 4.49Å; P548-Y661 HydrophobicContact CG-CD1 4.3Å; S549-Y661 WeakPolarHBondContact O-CA 3.42Å; L550-Y661 HydrophobicContact CB-CD1 3.99Å; L550-Y661 HydrophobicContact CB-CE1 3.68Å; L550-Y661 HydrophobicContact CD1-CD1 4.16Å; L550-Y661 HydrophobicContact CD1-CD2 3.77Å; L550-Y661 HydrophobicContact CD1-CE1 4.17Å; L550-Y661 HydrophobicContact CD1-CE2 3.8Å; L550-Y661 HydrophobicContact CD1-CG 3.96Å; L550-Y661 HydrophobicContact CG-CE1 4.46Å; Y661-E677 WeakPolarHBondContact OH-CG 3.42Å; Y661-E677 PolarHBondContact OH-OE1 3.17Å
662	L	87.4	Confident	73	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.042	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.6	177.2	-66.5	172.2	0	0	0	111.1	P548 S549 F551 Y553 L608 I660 S664	P548-L662 WeakPolarHBondContact CA-O 3.44Å; P548-L662 WeakPolarHBondContact CB-O 3.48Å; S549-L662 PolarHBondContact N-O 3.34Å; S549-L662 PolarHBondContact O-N 3.15Å; F551-L662 HydrophobicContact CD2-CB 4.04Å; F551-L662 HydrophobicContact CE2-CB 4.11Å; Y553-L662 HydrophobicContact CD2-CD1 4.34Å; Y553-L662 HydrophobicContact CE2-CD1 3.41Å; Y553-L662 VanDerWaalsContact CE2-CD1 3.41Å; Y553-L662 WeakPolarHBondContact OH-CD1 3.37Å; L608-L662 HydrophobicContact CD2-CD1 3.82Å; I660-L662 HydrophobicContact CG2-CD2 4.19Å; I660-L662 HydrophobicContact CG2-CG 4.1Å; L662-S664 PolarHBondContact O-N 3.47Å
663	E	79.5	Confident	72.2	Confident	91 Å²	91	68.8 Å²	68.8	43%	0.425	39%	0.393	S	S	.	.			trans	-66.7	128.3	172.9	-68.6	167.5	-155.2	0	0	108.4	R611 S665	R611-E663 IonicContact NH1-OE1 2.73Å; R611-E663 PolarHBondContact NH1-OE1 3.01Å; R611-E663 IonicContact NH1-OE2 3.2Å; E663-S665 PolarHBondContact O-N 3.43Å; E663-S665 PolarHBondContact O-OG 3.3Å
664	S	64	Low	71.6	Confident	79 Å²	79	69.5 Å²	69.5	55%	0.552	40%	0.399	S	S	*	.			trans	-73.7	75.5	176.6	-63.5	0	0	0	0	109.5	S549 L662 G666	S549-S664 PolarHBondContact OG-OG 3.01Å; L662-S664 PolarHBondContact O-N 3.47Å; S664-G666 VanDerWaalsContact C-N 3.26Å; S664-G666 PolarHBondContact O-N 3.47Å
665	S	52.7	Low	71.3	Confident	88 Å²	88	69 Å²	69	62%	0.615	39%	0.387	S	S	*	.			trans	-72.1	75.4	-179.2	-53.8	0	0	0	0	111	E663 A667	E663-S665 PolarHBondContact O-N 3.43Å; E663-S665 PolarHBondContact O-OG 3.3Å; S665-A667 PolarHBondContact O-N 2.92Å
666	G	44.7	Very low	71.1	Confident	88 Å²	88	66.7 Å²	66.7	91%	0.907	38%	0.377	S	S	*	.	S	Bend	trans	57.8	-15.9	162.1	0	0	0	0	0	119.2	S664	S664-G666 VanDerWaalsContact C-N 3.26Å; S664-G666 PolarHBondContact O-N 3.47Å
667	A	37.6	Very low	70.4	Confident	64 Å²	64	68.2 Å²	68.2	53%	0.529	38%	0.384	S	S	.	.	S	Bend	trans	-132.7	105.6	-174.7	0	0	0	0	0	106.3	S665 N669	S665-A667 PolarHBondContact O-N 2.92Å; A667-N669 PolarHBondContact O-N 3.3Å
668	K	43.4	Very low	69.5	Low	194 Å²	194	64.2 Å²	64.2	84%	0.843	37%	0.367	S	S	*	.			trans	-47	117.2	168.7	-68.8	178.2	177.9	178.7	0	107.4	E670	K668-E670 VanDerWaalsContact C-N 3.26Å; K668-E670 PolarHBondContact O-N 3Å
669	N	48.4	Very low	68.7	Low	29 Å²	29	66 Å²	66	16%	0.155	38%	0.378	C	S	.	.			trans	-72.2	95	167.2	-157.1	19.4	0	0	0	104.9	Y553 A667 M671 A672	Y553-N669 PolarHBondContact OH-ND2 3.43Å; A667-N669 PolarHBondContact O-N 3.3Å; N669-M671 PolarHBondContact O-N 3.08Å; N669-A672 PolarHBondContact O-N 3.37Å; N669-A672 VanDerWaalsContact O-N 3.07Å
670	E	50.3	Low	68.1	Low	166 Å²	166	68.1 Å²	68.1	78%	0.776	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-20.3	-170.3	-71.2	176.1	153.9	0	0	114.2	K668	K668-E670 VanDerWaalsContact C-N 3.26Å; K668-E670 PolarHBondContact O-N 3Å
671	M	54	Low	67.2	Low	109 Å²	109	68.7 Å²	68.7	54%	0.537	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-23	-177.5	-64.3	173.1	89.6	0	0	114.9	N669	N669-M671 PolarHBondContact O-N 3.08Å
672	A	61.5	Low	66.4	Low	12 Å²	12	69.1 Å²	69.1	10%	0.099	40%	0.398	C	S	.	.	S	Bend	trans	-101.9	114	-177.2	0	0	0	0	0	110.4	F551 Y553 N669	F551-A672 HydrophobicContact CB-CB 4.31Å; F551-A672 HydrophobicContact CD1-CB 4.11Å; Y553-A672 HydrophobicContact CE2-CB 3.97Å; N669-A672 PolarHBondContact O-N 3.37Å; N669-A672 VanDerWaalsContact O-N 3.07Å
673	H	77.4	Confident	65.8	Low	143 Å²	143	71.2 Å²	71.2	66%	0.662	41%	0.408	S	S	*	.			trans	-74.6	130.5	177.8	-69.6	-14.3	0	0	0	110.7	F551 D552	F551-H673 WeakPolarHBondContact CA-O 3.39Å; D552-H673 PolarHBondContact N-O 3.28Å
674	S	80.7	Confident	65.5	Low	77 Å²	77	73.5 Å²	73.5	54%	0.538	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137	171.2	-173.8	0	0	0	0	109.1	L550	L550-S674 CarbonylContact O-C 3.51Å; L550-S674 VanDerWaalsContact O-CA 3.27Å; L550-S674 WeakPolarHBondContact O-CA 3.37Å; L550-S674 PolarHBondContact O-OG 3.29Å
675	V	82.4	Confident	65.7	Low	28 Å²	28	71.4 Å²	71.4	17%	0.17	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.3	178.9	-75.6	0	0	0	0	109.6	L550 D552 V679	L550-V675 HydrophobicContact CB-CG2 4.32Å; L550-V675 WeakPolarHBondContact CB-O 3.1Å; L550-V675 HydrophobicContact CD2-CG2 3.99Å; L550-V675 HydrophobicContact CG-CG2 3.84Å; L550-V675 PolarHBondContact O-N 2.99Å; D552-V675 HydrophobicContact CB-CG1 4.39Å; V675-V679 HydrophobicContact CB-CB 4.45Å; V675-V679 HydrophobicContact CB-CG1 4.35Å; V675-V679 HydrophobicContact CG1-CG1 4.17Å
676	T	81.1	Confident	66.5	Low	51 Å²	51	74.8 Å²	74.8	31%	0.313	40%	0.398	S	S	.	.			trans	-87.1	161.1	173.9	64.3	0	0	0	0	111	G678 V679 M680	T676-G678 PolarHBondContact O-N 3.13Å; T676-V679 PolarHBondContact O-N 3.03Å; T676-V679 WeakPolarHBondContact OG1-CG2 3.43Å; T676-V679 PolarHBondContact OG1-N 2.57Å; T676-M680 PolarHBondContact O-N 3.04Å; T676-M680 VanDerWaalsContact O-N 3.16Å
677	E	75.2	Confident	67.5	Low	62 Å²	62	76 Å²	76	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-57.8	-35.2	171.4	-71.8	-165.2	151.6	0	0	111.9	Y661 M680 A681	Y661-E677 WeakPolarHBondContact OH-CG 3.42Å; Y661-E677 PolarHBondContact OH-OE1 3.17Å; E677-M680 PolarHBondContact O-N 2.95Å; E677-A681 WeakPolarHBondContact O-CB 3.28Å; E677-A681 PolarHBondContact O-N 3.06Å
678	G	71.4	Confident	69.2	Low	1 Å²	1	77.4 Å²	77.4	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-45.4	176.6	0	0	0	0	0	112.2	T676 A681 M682	T676-G678 PolarHBondContact O-N 3.13Å; G678-A681 PolarHBondContact O-N 2.91Å; G678-M682 WeakPolarHBondContact O-CB 3.4Å; G678-M682 PolarHBondContact O-N 2.83Å
679	V	76.5	Confident	71.1	Confident	39 Å²	39	68.6 Å²	68.6	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-47.6	175.7	172.6	0	0	0	0	111.1	V675 T676 A681 M682 E683	V675-V679 HydrophobicContact CB-CB 4.45Å; V675-V679 HydrophobicContact CB-CG1 4.35Å; V675-V679 HydrophobicContact CG1-CG1 4.17Å; T676-V679 PolarHBondContact O-N 3.03Å; T676-V679 WeakPolarHBondContact OG1-CG2 3.43Å; T676-V679 PolarHBondContact OG1-N 2.57Å; V679-A681 VanDerWaalsContact C-N 3.31Å; V679-A681 PolarHBondContact O-N 3.38Å; V679-M682 PolarHBondContact O-N 3.46Å; V679-E683 WeakPolarHBondContact O-CG 3.44Å; V679-E683 PolarHBondContact O-N 3.43Å
680	M	79.1	Confident	72.8	Confident	59 Å²	59	70.3 Å²	70.3	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-44.1	177.4	172.7	-175.6	72.3	0	0	112	L550 H659 T676 E677 K684	L550-M680 HydrophobicContact CD1-SD 4.35Å; L550-M680 HydrophobicContact CD2-CB 3.88Å; L550-M680 HydrophobicContact CD2-CE 4.36Å; L550-M680 HydrophobicContact CD2-CG 4.47Å; L550-M680 HydrophobicContact CD2-SD 3.95Å; H659-M680 HydrophobicContact CB-CB 4.49Å; H659-M680 HydrophobicContact CB-CG 4.07Å; H659-M680 HydrophobicContact CB-SD 3.85Å; H659-M680 WeakPolarHBondContact ND1-CG 3.24Å; T676-M680 PolarHBondContact O-N 3.04Å; T676-M680 VanDerWaalsContact O-N 3.16Å; E677-M680 PolarHBondContact O-N 2.95Å; M680-K684 WeakPolarHBondContact O-CB 3.5Å; M680-K684 PolarHBondContact O-N 2.99Å; M680-K684 VanDerWaalsContact O-N 3.13Å
681	A	73.8	Confident	74.8	Confident	17 Å²	17	65.4 Å²	65.4	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-72.5	-39	-178.7	0	0	0	0	0	112.4	E677 G678 V679 K684 N685 W731	E677-A681 WeakPolarHBondContact O-CB 3.28Å; E677-A681 PolarHBondContact O-N 3.06Å; G678-A681 PolarHBondContact O-N 2.91Å; V679-A681 VanDerWaalsContact C-N 3.31Å; V679-A681 PolarHBondContact O-N 3.38Å; A681-K684 PolarHBondContact O-N 3.49Å; A681-N685 WeakPolarHBondContact O-CB 3.37Å; A681-N685 PolarHBondContact O-N 3.4Å; A681-W731 HydrophobicContact CB-CG 3.93Å; A681-W731 VanDerWaalsContact CB-NE1 3.34Å
682	M	73.3	Confident	76.6	Confident	47 Å²	47	60.2 Å²	60.2	23%	0.232	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-50.2	171.7	166.7	168.5	-161.1	0	0	110.9	G678 V679 K684 N685 R686 Q727 C730	G678-M682 WeakPolarHBondContact O-CB 3.4Å; G678-M682 PolarHBondContact O-N 2.83Å; V679-M682 PolarHBondContact O-N 3.46Å; M682-K684 VanDerWaalsContact C-N 3.32Å; M682-K684 PolarHBondContact O-N 3.47Å; M682-N685 PolarHBondContact O-N 3.36Å; M682-R686 VanDerWaalsContact O-CB 3.29Å; M682-R686 WeakPolarHBondContact O-CB 3.1Å; M682-R686 PolarHBondContact O-N 2.89Å; M682-Q727 HydrophobicContact SD-CG 4.11Å; M682-C730 HydrophobicContact CB-CB 4.04Å; M682-C730 HydrophobicContact CE-CB 3.89Å; M682-C730 HydrophobicContact CG-CB 3.48Å; M682-C730 VanDerWaalsContact CG-CB 3.48Å; M682-C730 HydrophobicContact SD-CB 4.12Å
683	E	75.1	Confident	77.9	Confident	52 Å²	52	60 Å²	60	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-37.8	178.5	-70.3	-168.1	151.3	0	0	112.5	K657 H659 V679 F687	K657-E683 VanDerWaalsContact CG-OE2 3.32Å; K657-E683 WeakPolarHBondContact CG-OE2 3.46Å; H659-E683 IonicContact CE1-OE2 2.74Å; H659-E683 PolarHBondContact CE1-OE2 2.83Å; H659-E683 IonicContact NE2-OE2 3.35Å; H659-E683 PolarHBondContact NE2-OE2 2.97Å; V679-E683 WeakPolarHBondContact O-CG 3.44Å; V679-E683 PolarHBondContact O-N 3.43Å; E683-F687 WeakPolarHBondContact O-CD2 3.34Å
684	K	71.9	Confident	78.6	Confident	138 Å²	138	59.3 Å²	59.3	60%	0.6	30%	0.295	S	S	*	.	H	α-helix	trans	-65.3	-40.1	177	-173.9	178.3	179.1	178.9	0	112.6	M680 A681 M682	M680-K684 WeakPolarHBondContact O-CB 3.5Å; M680-K684 PolarHBondContact O-N 2.99Å; M680-K684 VanDerWaalsContact O-N 3.13Å; A681-K684 PolarHBondContact O-N 3.49Å; M682-K684 VanDerWaalsContact C-N 3.32Å; M682-K684 PolarHBondContact O-N 3.47Å
685	N	69.9	Low	79.3	Confident	35 Å²	35	60.5 Å²	60.5	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-81.8	-30.3	-177.8	-77.8	-14.2	0	0	0	113.1	A681 M682 F687 K688 H689 C730 W731	A681-N685 WeakPolarHBondContact O-CB 3.37Å; A681-N685 PolarHBondContact O-N 3.4Å; M682-N685 PolarHBondContact O-N 3.36Å; N685-F687 PolarHBondContact O-N 2.91Å; N685-K688 PolarHBondContact O-N 3.13Å; N685-H689 PolarHBondContact O-N 2.96Å; N685-H689 VanDerWaalsContact O-N 3.07Å; N685-C730 WeakPolarHBondContact CB-O 3.28Å; N685-C730 PolarHBondContact ND2-O 3.34Å; N685-W731 PolarHBondContact ND2-O 3.39Å
686	R	68.8	Low	79.9	Confident	159 Å²	159	59.2 Å²	59.2	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-51.1	-35.7	-179.7	-173	178.3	-178.3	-171.9	0.8	113	M682 T690	M682-R686 VanDerWaalsContact O-CB 3.29Å; M682-R686 WeakPolarHBondContact O-CB 3.1Å; M682-R686 PolarHBondContact O-N 2.89Å; R686-T690 PolarHBondContact O-OG1 3.06Å
687	F	64.9	Low	80.6	Confident	114 Å²	114	59.1 Å²	59.1	50%	0.5	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.9	179.5	-63.6	-75.6	0	0	0	114.9	E683 N685	E683-F687 WeakPolarHBondContact O-CD2 3.34Å; N685-F687 PolarHBondContact O-N 2.91Å
688	K	74.2	Confident	81.6	Confident	94 Å²	94	62 Å²	62	41%	0.409	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-37.3	-173.6	-74.1	-173.2	176.4	-174.2	0	114	N685	N685-K688 PolarHBondContact O-N 3.13Å
689	H	82.7	Confident	82.8	Confident	9 Å²	9	63.4 Å²	63.4	4%	0.042	30%	0.301	C	S	.	.			trans	-137.9	41.9	-167.4	-61.4	-62.6	0	0	0	112.2	N685 D691 I692 S693	N685-H689 PolarHBondContact O-N 2.96Å; N685-H689 VanDerWaalsContact O-N 3.07Å; H689-D691 VanDerWaalsContact C-N 3.28Å; H689-D691 PolarHBondContact O-N 3.31Å; H689-I692 HydrophobicContact CB-CB 4.24Å; H689-I692 HydrophobicContact CB-CD1 4.15Å; H689-I692 HydrophobicContact CB-CG1 4.34Å; H689-I692 PolarHBondContact O-N 3.45Å; H689-I692 VanDerWaalsContact O-N 3.09Å; H689-S693 PolarHBondContact O-N 2.93Å; H689-S693 PolarHBondContact O-OG 2.94Å
690	T	84.8	Confident	83.7	Confident	65 Å²	65	61.5 Å²	61.5	40%	0.399	29%	0.29	S	S	.	.	H	α-helix	trans	-54.9	-43.2	-174.1	-37.9	0	0	0	0	112.4	R686 I692 S693 E694	R686-T690 PolarHBondContact O-OG1 3.06Å; T690-I692 VanDerWaalsContact C-N 3.33Å; T690-I692 PolarHBondContact O-N 3.26Å; T690-S693 PolarHBondContact O-N 3.49Å; T690-E694 WeakPolarHBondContact O-CG 3.41Å; T690-E694 PolarHBondContact O-N 3.34Å
691	D	91.2	Very high	84.4	Confident	63 Å²	63	61.4 Å²	61.4	34%	0.337	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-31.4	179.8	67.2	-61	0	0	0	113.7	H689 R695 R771	H689-D691 VanDerWaalsContact C-N 3.28Å; H689-D691 PolarHBondContact O-N 3.31Å; D691-R695 PolarHBondContact O-N 3.32Å; D691-R695 PolarHBondContact O-NE 2.78Å; D691-R771 VanDerWaalsContact CG-NH1 3.28Å; D691-R771 IonicContact OD1-CZ 2.82Å; D691-R771 IonicContact OD1-NH1 3.43Å; D691-R771 PolarHBondContact OD1-NH1 3.46Å; D691-R771 IonicContact OD2-CZ 2.76Å; D691-R771 IonicContact OD2-NH1 3.99Å; D691-R771 PolarHBondContact OD2-NH1 2.82Å; D691-R771 IonicContact OD2-NH2 3.01Å; D691-R771 PolarHBondContact OD2-NH2 3.48Å
692	I	92.1	Very high	85.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-73.1	-43.5	174.9	-57.5	-176.3	0	0	0	109.2	H689 T690 E694 R695 C696 L732 F764 E767 V768	H689-I692 HydrophobicContact CB-CB 4.24Å; H689-I692 HydrophobicContact CB-CD1 4.15Å; H689-I692 HydrophobicContact CB-CG1 4.34Å; H689-I692 PolarHBondContact O-N 3.45Å; H689-I692 VanDerWaalsContact O-N 3.09Å; T690-I692 VanDerWaalsContact C-N 3.33Å; T690-I692 PolarHBondContact O-N 3.26Å; I692-E694 VanDerWaalsContact C-N 3.33Å; I692-E694 PolarHBondContact O-N 3.19Å; I692-R695 PolarHBondContact O-N 3.13Å; I692-C696 WeakPolarHBondContact O-CB 3.28Å; I692-C696 PolarHBondContact O-N 3.21Å; I692-L732 HydrophobicContact CG2-CD1 4.39Å; I692-F764 HydrophobicContact CG2-CB 4.08Å; I692-F764 HydrophobicContact CG2-CD1 3.84Å; I692-F764 HydrophobicContact CG2-CG 4.44Å; I692-E767 HydrophobicContact CD1-CB 4.5Å; I692-E767 HydrophobicContact CD1-CG 4.22Å; I692-V768 HydrophobicContact CD1-CG2 3.64Å; I692-V768 HydrophobicContact CG2-CG2 4.11Å
693	S	89.7	Confident	86.5	Confident	7 Å²	7	63.5 Å²	63.5	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-39	178.2	-63.6	0	0	0	0	112.5	H689 T690 C696 L697 A729	H689-S693 PolarHBondContact O-N 2.93Å; H689-S693 PolarHBondContact O-OG 2.94Å; T690-S693 PolarHBondContact O-N 3.49Å; S693-C696 PolarHBondContact O-N 3.12Å; S693-L697 WeakPolarHBondContact O-CB 3.37Å; S693-L697 PolarHBondContact O-N 3.33Å; S693-A729 PolarHBondContact OG-O 3.26Å
694	E	92.4	Very high	87.4	Confident	129 Å²	129	61.2 Å²	61.2	60%	0.603	29%	0.291	S	S	*	.	H	α-helix	trans	-64.6	-48.6	176.9	-73.9	171.6	-178.4	0	0	112.1	T690 I692 C696 L697 E698	T690-E694 WeakPolarHBondContact O-CG 3.41Å; T690-E694 PolarHBondContact O-N 3.34Å; I692-E694 VanDerWaalsContact C-N 3.33Å; I692-E694 PolarHBondContact O-N 3.19Å; E694-C696 VanDerWaalsContact C-N 3.3Å; E694-C696 PolarHBondContact O-N 2.71Å; E694-L697 WeakPolarHBondContact O-CB 3.45Å; E694-L697 PolarHBondContact O-N 2.92Å; E694-E698 PolarHBondContact O-N 3.02Å; E694-E698 VanDerWaalsContact O-N 3.08Å
695	R	95.6	Very high	88.4	Confident	102 Å²	102	57.1 Å²	57.1	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-35.8	175.5	-72.3	-175.1	-65.2	140.2	-0.4	112.8	D691 I692 E698 A699 F764 E767	D691-R695 PolarHBondContact O-N 3.32Å; D691-R695 PolarHBondContact O-NE 2.78Å; I692-R695 PolarHBondContact O-N 3.13Å; R695-E698 PolarHBondContact O-N 3.34Å; R695-A699 WeakPolarHBondContact O-CB 3.47Å; R695-A699 PolarHBondContact O-N 2.63Å; R695-F764 HydrophobicContact CB-CE1 3.94Å; R695-E767 IonicContact CZ-OE1 2.71Å; R695-E767 IonicContact CZ-OE2 2.68Å; R695-E767 IonicContact NH1-OE1 2.65Å; R695-E767 IonicContact NH1-OE2 3.41Å; R695-E767 PolarHBondContact NH1-OE2 3.42Å; R695-E767 IonicContact NH2-OE1 2.66Å; R695-E767 PolarHBondContact NH2-OE1 3.34Å; R695-E767 IonicContact NH2-OE2 3.62Å; R695-E767 PolarHBondContact NH2-OE2 2.91Å
696	C	94.9	Very high	89.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-42.3	175.7	-175.4	0	0	0	0	111.3	I692 S693 E694 E698 A699 L700 A729 L732 L761 F764	I692-C696 WeakPolarHBondContact O-CB 3.28Å; I692-C696 PolarHBondContact O-N 3.21Å; S693-C696 PolarHBondContact O-N 3.12Å; E694-C696 VanDerWaalsContact C-N 3.3Å; E694-C696 PolarHBondContact O-N 2.71Å; C696-E698 VanDerWaalsContact C-N 3.34Å; C696-E698 PolarHBondContact O-N 3.02Å; C696-A699 PolarHBondContact O-N 2.85Å; C696-L700 WeakPolarHBondContact O-CB 3.43Å; C696-L700 VanDerWaalsContact O-CG 3.3Å; C696-L700 WeakPolarHBondContact O-CG 3.42Å; C696-L700 PolarHBondContact O-N 3.42Å; C696-A729 HydrophobicContact CB-CB 4.24Å; C696-L732 HydrophobicContact CB-CD2 4.27Å; C696-L761 WeakPolarHBondContact SG-CD2 3.39Å; C696-F764 HydrophobicContact CB-CD1 3.86Å; C696-F764 HydrophobicContact CB-CD2 4.2Å; C696-F764 HydrophobicContact CB-CE1 3.89Å; C696-F764 HydrophobicContact CB-CE2 4.23Å; C696-F764 HydrophobicContact CB-CG 4.02Å; C696-F764 HydrophobicContact CB-CZ 4.08Å
697	L	94.5	Very high	90.6	Very high	49 Å²	49	55 Å²	55	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-42.4	176.4	-178.6	61.4	0	0	0	111.8	S693 E694 L700 T701 L725 R726 A729	S693-L697 WeakPolarHBondContact O-CB 3.37Å; S693-L697 PolarHBondContact O-N 3.33Å; E694-L697 WeakPolarHBondContact O-CB 3.45Å; E694-L697 PolarHBondContact O-N 2.92Å; L697-L700 PolarHBondContact O-N 2.83Å; L697-T701 WeakPolarHBondContact O-CB 3.47Å; L697-T701 PolarHBondContact O-N 3.19Å; L697-T701 PolarHBondContact O-OG1 3.05Å; L697-L725 HydrophobicContact CD1-CB 3.87Å; L697-R726 HydrophobicContact CD1-CG 3.83Å; L697-R726 HydrophobicContact CD2-CG 3.78Å; L697-R726 HydrophobicContact CG-CG 4.48Å; L697-A729 HydrophobicContact CB-CB 3.71Å; L697-A729 HydrophobicContact CD1-CB 4.21Å
698	E	95.9	Very high	91.9	Very high	123 Å²	123	49.8 Å²	49.8	58%	0.575	25%	0.253	S	S	*	.	H	α-helix	trans	-62.1	-48.5	176	-172.4	178.1	-175.8	0	0	111.3	E694 R695 C696 L700 T701 N702	E694-E698 PolarHBondContact O-N 3.02Å; E694-E698 VanDerWaalsContact O-N 3.08Å; R695-E698 PolarHBondContact O-N 3.34Å; C696-E698 VanDerWaalsContact C-N 3.34Å; C696-E698 PolarHBondContact O-N 3.02Å; E698-L700 VanDerWaalsContact C-N 3.34Å; E698-L700 PolarHBondContact O-N 3.27Å; E698-T701 PolarHBondContact O-N 3.06Å; E698-N702 PolarHBondContact O-N 2.73Å; E698-N702 PolarHBondContact O-ND2 3.35Å
699	A	96.8	Very high	92.7	Very high	30 Å²	30	52.6 Å²	52.6	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-43.8	176.6	0	0	0	0	0	112.4	R695 C696 N702 W703 L760 F764	R695-A699 WeakPolarHBondContact O-CB 3.47Å; R695-A699 PolarHBondContact O-N 2.63Å; C696-A699 PolarHBondContact O-N 2.85Å; A699-N702 PolarHBondContact O-N 3.04Å; A699-W703 WeakPolarHBondContact O-CB 3.49Å; A699-W703 PolarHBondContact O-N 2.74Å; A699-L760 HydrophobicContact CB-CD2 4.12Å; A699-F764 HydrophobicContact CB-CE2 4.08Å; A699-F764 HydrophobicContact CB-CZ 3.86Å
700	L	95.7	Very high	93.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-39.9	176.2	-78.6	166.7	0	0	0	112.4	C696 L697 E698 W703 L704 L725 I728 A729 I757 L760 L761	C696-L700 WeakPolarHBondContact O-CB 3.43Å; C696-L700 VanDerWaalsContact O-CG 3.3Å; C696-L700 WeakPolarHBondContact O-CG 3.42Å; C696-L700 PolarHBondContact O-N 3.42Å; L697-L700 PolarHBondContact O-N 2.83Å; E698-L700 VanDerWaalsContact C-N 3.34Å; E698-L700 PolarHBondContact O-N 3.27Å; L700-W703 HydrophobicContact CD2-CE3 4.48Å; L700-W703 PolarHBondContact O-N 2.83Å; L700-L704 WeakPolarHBondContact O-CB 3.36Å; L700-L704 PolarHBondContact O-N 2.75Å; L700-L725 HydrophobicContact CB-CD2 4.22Å; L700-I728 HydrophobicContact CD1-CB 4.05Å; L700-I728 HydrophobicContact CD1-CG2 3.7Å; L700-I728 HydrophobicContact CD2-CG2 4.28Å; L700-A729 HydrophobicContact CD1-CB 3.98Å; L700-I757 HydrophobicContact CD2-CG2 4.47Å; L700-L760 HydrophobicContact CD2-CD1 4.38Å; L700-L760 HydrophobicContact CD2-CD2 3.72Å; L700-L760 HydrophobicContact CG-CD2 3.77Å; L700-L761 HydrophobicContact CD1-CD2 4.43Å
701	T	95	Very high	93.5	Very high	57 Å²	57	56.9 Å²	56.9	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-44	179	-56.4	0	0	0	0	110.8	L697 E698 L704 C705	L697-T701 WeakPolarHBondContact O-CB 3.47Å; L697-T701 PolarHBondContact O-N 3.19Å; L697-T701 PolarHBondContact O-OG1 3.05Å; E698-T701 PolarHBondContact O-N 3.06Å; T701-L704 PolarHBondContact O-N 2.92Å; T701-C705 PolarHBondContact O-N 2.64Å; T701-C705 PolarHBondContact O-SG 2.86Å
702	N	95.1	Very high	93.4	Very high	85 Å²	85	57.1 Å²	57.1	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.2	-69.8	-21.8	0	0	0	111.7	E698 A699 L704 C705 Q706	E698-N702 PolarHBondContact O-N 2.73Å; E698-N702 PolarHBondContact O-ND2 3.35Å; A699-N702 PolarHBondContact O-N 3.04Å; N702-L704 PolarHBondContact O-N 3.28Å; N702-C705 PolarHBondContact O-N 3.13Å; N702-Q706 WeakPolarHBondContact O-CG 3.19Å; N702-Q706 PolarHBondContact O-N 2.94Å; N702-Q706 VanDerWaalsContact O-N 3.16Å
703	W	95.2	Very high	93.2	Very high	23 Å²	23	60.2 Å²	60.2	9%	0.087	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-43.6	174.1	166.9	75.4	0	0	0	112	A699 L700 C705 Q706 V707 L720 Y753 H756 I757 L760	A699-W703 WeakPolarHBondContact O-CB 3.49Å; A699-W703 PolarHBondContact O-N 2.74Å; L700-W703 HydrophobicContact CD2-CE3 4.48Å; L700-W703 PolarHBondContact O-N 2.83Å; W703-C705 VanDerWaalsContact C-N 3.3Å; W703-C705 PolarHBondContact O-N 3.26Å; W703-Q706 PolarHBondContact O-N 3.16Å; W703-V707 HydrophobicContact CD2-CG2 4.29Å; W703-V707 HydrophobicContact CZ2-CG2 3.91Å; W703-V707 WeakPolarHBondContact O-CG2 3.5Å; W703-V707 PolarHBondContact O-N 3.04Å; W703-L720 HydrophobicContact CZ3-CD1 4.22Å; W703-Y753 HydrophobicContact CH2-CG 4.46Å; W703-H756 HydrophobicContact CZ2-CB 3.88Å; W703-I757 HydrophobicContact CH2-CD1 3.81Å; W703-I757 HydrophobicContact CH2-CG1 3.39Å; W703-I757 HydrophobicContact CZ2-CG1 3.95Å; W703-I757 HydrophobicContact CZ3-CD1 4.17Å; W703-I757 HydrophobicContact CZ3-CG1 3.71Å; W703-L760 HydrophobicContact CB-CD1 3.39Å; W703-L760 HydrophobicContact CD2-CD1 4.32Å; W703-L760 HydrophobicContact CG-CD1 3.7Å
704	L	93.9	Very high	92.9	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-61.7	-39.1	179.4	-168.1	68.1	0	0	0	111.9	L700 T701 N702 V707 A708 V716 I719 L720 L725	L700-L704 WeakPolarHBondContact O-CB 3.36Å; L700-L704 PolarHBondContact O-N 2.75Å; T701-L704 PolarHBondContact O-N 2.92Å; N702-L704 PolarHBondContact O-N 3.28Å; L704-V707 PolarHBondContact O-N 3.46Å; L704-A708 WeakPolarHBondContact O-CB 3.48Å; L704-A708 PolarHBondContact O-N 3.02Å; L704-V716 HydrophobicContact CD2-CB 3.85Å; L704-V716 HydrophobicContact CD2-CG2 4.45Å; L704-V716 HydrophobicContact CG-CB 4.06Å; L704-V716 HydrophobicContact CG-CG1 4.49Å; L704-I719 HydrophobicContact CD1-CB 3.66Å; L704-I719 HydrophobicContact CD1-CD1 4.09Å; L704-I719 HydrophobicContact CD1-CG2 3.46Å; L704-I719 VanDerWaalsContact CD1-CG2 3.46Å; L704-L720 HydrophobicContact CD1-CB 4.24Å; L704-L720 HydrophobicContact CD2-CB 4.47Å; L704-L725 HydrophobicContact CB-CD1 4.5Å; L704-L725 HydrophobicContact CD2-CD1 3.73Å; L704-L725 HydrophobicContact CD2-CD2 4.37Å; L704-L725 HydrophobicContact CD2-CG 4.28Å
705	C	92.4	Very high	92.5	Very high	51 Å²	51	64 Å²	64	35%	0.345	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-46.2	175.8	-63.7	0	0	0	0	111.4	T701 N702 W703 V707 A708 E709	T701-C705 PolarHBondContact O-N 2.64Å; T701-C705 PolarHBondContact O-SG 2.86Å; N702-C705 PolarHBondContact O-N 3.13Å; W703-C705 VanDerWaalsContact C-N 3.3Å; W703-C705 PolarHBondContact O-N 3.26Å; C705-V707 PolarHBondContact O-N 3.42Å; C705-A708 PolarHBondContact O-N 2.66Å; C705-E709 WeakPolarHBondContact O-CG 3.46Å; C705-E709 PolarHBondContact O-N 2.98Å
706	Q	92.9	Very high	92.1	Very high	127 Å²	127	61.5 Å²	61.5	59%	0.593	36%	0.363	S	S	*	.	H	α-helix	trans	-61.8	-41.3	178.1	-68.4	170.5	11.7	0	0	112.5	N702 W703 A710	N702-Q706 WeakPolarHBondContact O-CG 3.19Å; N702-Q706 PolarHBondContact O-N 2.94Å; N702-Q706 VanDerWaalsContact O-N 3.16Å; W703-Q706 PolarHBondContact O-N 3.16Å; Q706-A710 WeakPolarHBondContact O-CB 3.29Å; Q706-A710 PolarHBondContact O-N 3.2Å
707	V	92.6	Very high	91.6	Very high	24 Å²	24	65.5 Å²	65.5	15%	0.145	38%	0.384	C	S	.	.	H	α-helix	trans	-67.9	-40.5	177	177.4	0	0	0	0	110.9	W703 L704 C705 A710 E711 I719 Y753	W703-V707 HydrophobicContact CD2-CG2 4.29Å; W703-V707 HydrophobicContact CZ2-CG2 3.91Å; W703-V707 WeakPolarHBondContact O-CG2 3.5Å; W703-V707 PolarHBondContact O-N 3.04Å; L704-V707 PolarHBondContact O-N 3.46Å; C705-V707 PolarHBondContact O-N 3.42Å; V707-A710 PolarHBondContact O-N 3.07Å; V707-E711 HydrophobicContact CG1-CG 4.43Å; V707-E711 WeakPolarHBondContact O-CB 3.46Å; V707-E711 WeakPolarHBondContact O-CG 3.46Å; V707-E711 PolarHBondContact O-N 3.49Å; V707-I719 HydrophobicContact CB-CD1 4.21Å; V707-I719 HydrophobicContact CG1-CD1 3.77Å; V707-Y753 HydrophobicContact CG1-CD1 4.21Å; V707-Y753 HydrophobicContact CG1-CE1 3.78Å
708	A	91.8	Very high	91	Very high	3 Å²	3	66.2 Å²	66.2	3%	0.025	40%	0.397	C	S	.	.	H	α-helix	trans	-62.8	-43.1	176.8	0	0	0	0	0	111.9	L704 C705 E711 G712 L713 V716 I719	L704-A708 WeakPolarHBondContact O-CB 3.48Å; L704-A708 PolarHBondContact O-N 3.02Å; C705-A708 PolarHBondContact O-N 2.66Å; A708-E711 PolarHBondContact O-N 3.24Å; A708-G712 PolarHBondContact O-N 3.4Å; A708-G712 VanDerWaalsContact O-N 3.08Å; A708-L713 HydrophobicContact CB-CB 4.33Å; A708-L713 PolarHBondContact O-N 2.91Å; A708-V716 HydrophobicContact CB-CG1 3.68Å; A708-I719 HydrophobicContact CB-CD1 4.01Å
709	E	92	Very high	90.6	Very high	153 Å²	153	60.4 Å²	60.4	72%	0.715	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-46.9	174.1	-74.4	174.8	-174.9	0	0	111.7	C705 E711 G712	C705-E709 WeakPolarHBondContact O-CG 3.46Å; C705-E709 PolarHBondContact O-N 2.98Å; E709-E711 VanDerWaalsContact C-N 3.27Å; E709-E711 PolarHBondContact O-N 3.32Å; E709-G712 PolarHBondContact O-N 3.19Å; E709-G712 VanDerWaalsContact O-N 3.11Å
710	A	90.9	Very high	90.3	Very high	89 Å²	89	59 Å²	59	74%	0.736	36%	0.359	S	S	*	.	H	α-helix	trans	-63.4	-31.3	179.3	0	0	0	0	0	113.3	Q706 V707	Q706-A710 WeakPolarHBondContact O-CB 3.29Å; Q706-A710 PolarHBondContact O-N 3.2Å; V707-A710 PolarHBondContact O-N 3.07Å
711	E	92.5	Very high	90	Very high	75 Å²	75	60.4 Å²	60.4	35%	0.35	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	1.3	176.9	-65.1	-163.9	-179.7	0	0	113.9	V707 A708 E709 L713 K752 Y753	V707-E711 HydrophobicContact CG1-CG 4.43Å; V707-E711 WeakPolarHBondContact O-CB 3.46Å; V707-E711 WeakPolarHBondContact O-CG 3.46Å; V707-E711 PolarHBondContact O-N 3.49Å; A708-E711 PolarHBondContact O-N 3.24Å; E709-E711 VanDerWaalsContact C-N 3.27Å; E709-E711 PolarHBondContact O-N 3.32Å; E711-L713 HydrophobicContact CB-CD1 3.97Å; E711-L713 HydrophobicContact CB-CG 3.99Å; E711-L713 PolarHBondContact O-N 3.11Å; E711-K752 WeakPolarHBondContact OE1-CE 3.25Å; E711-K752 IonicContact OE1-NZ 3.18Å; E711-K752 PolarHBondContact OE1-NZ 2.65Å; E711-K752 IonicContact OE2-NZ 3.74Å; E711-K752 PolarHBondContact OE2-NZ 3.17Å; E711-Y753 WeakPolarHBondContact OE1-CE1 3.38Å; E711-Y753 PolarHBondContact OE1-OH 3.43Å; E711-Y753 PolarHBondContact OE2-OH 3.09Å; E711-Y753 VanDerWaalsContact OE2-OH 3.09Å
712	G	90.4	Very high	89.7	Confident	69 Å²	69	60 Å²	60	71%	0.711	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	26.5	-178.3	0	0	0	0	0	113.7	A708 E709	A708-G712 PolarHBondContact O-N 3.4Å; A708-G712 VanDerWaalsContact O-N 3.08Å; E709-G712 PolarHBondContact O-N 3.19Å; E709-G712 VanDerWaalsContact O-N 3.11Å
713	L	88	Confident	89.3	Confident	65 Å²	65	60.3 Å²	60.3	34%	0.34	37%	0.373	S	S	.	.			trans	-89.1	122.2	-179.5	-65.8	171.9	0	0	0	110.4	A708 E711 N715 I719	A708-L713 HydrophobicContact CB-CB 4.33Å; A708-L713 PolarHBondContact O-N 2.91Å; E711-L713 HydrophobicContact CB-CD1 3.97Å; E711-L713 HydrophobicContact CB-CG 3.99Å; E711-L713 PolarHBondContact O-N 3.11Å; L713-N715 PolarHBondContact O-N 2.94Å; L713-I719 HydrophobicContact CD1-CD1 3.93Å; L713-I719 HydrophobicContact CD1-CG1 3.73Å
714	S	81.9	Confident	89	Confident	134 Å²	134	59.2 Å²	59.2	94%	0.937	37%	0.368	S	S	*	.	S	Bend	trans	-73.1	-13.9	175.9	57	0	0	0	0	114
715	N	85.1	Confident	88.9	Confident	81 Å²	81	59.4 Å²	59.4	43%	0.433	37%	0.369	S	S	.	.			trans	-131.8	109.7	-178.1	-174.3	-1.2	0	0	0	111.2	L713 N717 A718	L713-N715 PolarHBondContact O-N 2.94Å; N715-N717 PolarHBondContact O-N 2.97Å; N715-N717 VanDerWaalsContact O-N 3.15Å; N715-N717 VanDerWaalsContact OD1-CB 3.28Å; N715-N717 WeakPolarHBondContact OD1-CB 3.14Å; N715-N717 PolarHBondContact OD1-N 3.49Å; N715-N717 PolarHBondContact OD1-ND2 3.45Å; N715-N717 VanDerWaalsContact OD1-ND2 3.11Å; N715-A718 VanDerWaalsContact O-CB 3.24Å; N715-A718 WeakPolarHBondContact O-CB 3.31Å; N715-A718 PolarHBondContact O-N 3.31Å
716	V	85.8	Confident	88.7	Confident	49 Å²	49	63 Å²	63	30%	0.297	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-55.5	-29.5	175.8	-67.7	0	0	0	0	113.3	L704 A708 A718 I719 L720	L704-V716 HydrophobicContact CD2-CB 3.85Å; L704-V716 HydrophobicContact CD2-CG2 4.45Å; L704-V716 HydrophobicContact CG-CB 4.06Å; L704-V716 HydrophobicContact CG-CG1 4.49Å; A708-V716 HydrophobicContact CB-CG1 3.68Å; V716-A718 PolarHBondContact O-N 2.95Å; V716-I719 PolarHBondContact O-N 3.01Å; V716-L720 PolarHBondContact O-N 3.5Å
717	N	84.7	Confident	88.5	Confident	84 Å²	84	57.8 Å²	57.8	45%	0.449	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-67.5	-16.1	179.1	-63.9	-62.6	0	0	0	113.2	N715 I719 L720	N715-N717 PolarHBondContact O-N 2.97Å; N715-N717 VanDerWaalsContact O-N 3.15Å; N715-N717 VanDerWaalsContact OD1-CB 3.28Å; N715-N717 WeakPolarHBondContact OD1-CB 3.14Å; N715-N717 PolarHBondContact OD1-N 3.49Å; N715-N717 PolarHBondContact OD1-ND2 3.45Å; N715-N717 VanDerWaalsContact OD1-ND2 3.11Å; N717-I719 PolarHBondContact O-N 3.29Å; N717-L720 WeakPolarHBondContact CA-O 3.31Å
718	A	82.5	Confident	88.5	Confident	64 Å²	64	56.6 Å²	56.6	53%	0.529	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-62.9	-28.6	172	0	0	0	0	0	111.7	N715 V716	N715-A718 VanDerWaalsContact O-CB 3.24Å; N715-A718 WeakPolarHBondContact O-CB 3.31Å; N715-A718 PolarHBondContact O-N 3.31Å; V716-A718 PolarHBondContact O-N 2.95Å
719	I	87.5	Confident	88.5	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-66.5	176.5	-59.6	164	0	0	0	109.4	L704 V707 A708 L713 V716 N717 K749 Y753	L704-I719 HydrophobicContact CD1-CB 3.66Å; L704-I719 HydrophobicContact CD1-CD1 4.09Å; L704-I719 HydrophobicContact CD1-CG2 3.46Å; L704-I719 VanDerWaalsContact CD1-CG2 3.46Å; V707-I719 HydrophobicContact CB-CD1 4.21Å; V707-I719 HydrophobicContact CG1-CD1 3.77Å; A708-I719 HydrophobicContact CB-CD1 4.01Å; L713-I719 HydrophobicContact CD1-CD1 3.93Å; L713-I719 HydrophobicContact CD1-CG1 3.73Å; V716-I719 PolarHBondContact O-N 3.01Å; N717-I719 PolarHBondContact O-N 3.29Å; I719-K749 WeakPolarHBondContact O-CD 3.34Å; I719-K749 WeakPolarHBondContact O-CE 3.41Å; I719-K749 PolarHBondContact O-NZ 3.44Å; I719-Y753 HydrophobicContact CG2-CD2 3.95Å; I719-Y753 HydrophobicContact CG2-CE1 4.36Å; I719-Y753 HydrophobicContact CG2-CE2 3.67Å; I719-Y753 HydrophobicContact CG2-CG 4.4Å
720	L	89.9	Confident	88.4	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	32%	0.316	C	S	.	.			trans	-142.7	138.9	180	-75.5	168.9	0	0	0	110.5	W703 L704 V716 N717 A724 L725 I728 M745 I757	W703-L720 HydrophobicContact CZ3-CD1 4.22Å; L704-L720 HydrophobicContact CD1-CB 4.24Å; L704-L720 HydrophobicContact CD2-CB 4.47Å; V716-L720 PolarHBondContact O-N 3.5Å; N717-L720 WeakPolarHBondContact CA-O 3.31Å; L720-A724 HydrophobicContact CD2-CB 4.15Å; L720-L725 HydrophobicContact CB-CD2 4.17Å; L720-L725 HydrophobicContact CD1-CD2 4.14Å; L720-I728 HydrophobicContact CD1-CD1 4.21Å; L720-M745 HydrophobicContact CD1-CE 4.02Å; L720-M745 HydrophobicContact CD2-CE 3.51Å; L720-M745 HydrophobicContact CD2-SD 4.23Å; L720-M745 HydrophobicContact CG-CE 4.37Å; L720-I757 HydrophobicContact CD1-CD1 3.88Å
721	S	89.9	Confident	88.2	Confident	30 Å²	30	47 Å²	47	21%	0.21	29%	0.285	C	S	.	.			trans	-71.6	155.9	176.1	67.8	0	0	0	0	111.4	D723 A724 L725	S721-D723 PolarHBondContact O-N 3.47Å; S721-A724 WeakPolarHBondContact O-CB 3.31Å; S721-A724 PolarHBondContact O-N 3.45Å; S721-A724 VanDerWaalsContact O-N 3.08Å; S721-A724 WeakPolarHBondContact OG-CB 3.48Å; S721-A724 PolarHBondContact OG-N 3Å; S721-A724 VanDerWaalsContact OG-N 3.13Å; S721-L725 PolarHBondContact O-N 2.81Å
722	A	88.1	Confident	88.1	Confident	48 Å²	48	44.1 Å²	44.1	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-55.6	-33.2	173.4	0	0	0	0	0	112.8	L725 R726	A722-L725 PolarHBondContact O-N 2.86Å; A722-R726 PolarHBondContact O-N 2.95Å
723	D	86.6	Confident	88.2	Confident	92 Å²	92	40.9 Å²	40.9	49%	0.492	24%	0.238	S	C	.	.	H	α-helix	trans	-73.3	-37.4	177.5	-64.7	-26.9	0	0	0	112.1	S721 L725 R726 Q727	S721-D723 PolarHBondContact O-N 3.47Å; D723-L725 VanDerWaalsContact C-N 3.35Å; D723-R726 PolarHBondContact O-N 3.11Å; D723-R726 IonicContact OD1-CZ 3.35Å; D723-R726 IonicContact OD1-NE 3.5Å; D723-R726 IonicContact OD1-NH2 2.84Å; D723-R726 PolarHBondContact OD1-NH2 2.96Å; D723-Q727 WeakPolarHBondContact O-CG 3.38Å; D723-Q727 PolarHBondContact O-N 3.43Å
724	A	89.4	Confident	88.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-42.2	171.9	0	0	0	0	0	111.3	L720 S721 R726 Q727 I728 V742 D743	L720-A724 HydrophobicContact CD2-CB 4.15Å; S721-A724 WeakPolarHBondContact O-CB 3.31Å; S721-A724 PolarHBondContact O-N 3.45Å; S721-A724 VanDerWaalsContact O-N 3.08Å; S721-A724 WeakPolarHBondContact OG-CB 3.48Å; S721-A724 PolarHBondContact OG-N 3Å; S721-A724 VanDerWaalsContact OG-N 3.13Å; A724-R726 PolarHBondContact O-N 3.36Å; A724-Q727 PolarHBondContact O-N 3.06Å; A724-I728 VanDerWaalsContact O-CG1 3.26Å; A724-I728 WeakPolarHBondContact O-CG1 3.36Å; A724-I728 PolarHBondContact O-N 3.23Å; A724-V742 HydrophobicContact CB-CG1 3.89Å; A724-D743 WeakPolarHBondContact CB-O 3.31Å
725	L	92	Very high	88.7	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-45	174.6	-66.8	-172.3	0	0	0	112	L697 L700 L704 L720 S721 A722 D723 Q727 I728 A729	L697-L725 HydrophobicContact CD1-CB 3.87Å; L700-L725 HydrophobicContact CB-CD2 4.22Å; L704-L725 HydrophobicContact CB-CD1 4.5Å; L704-L725 HydrophobicContact CD2-CD1 3.73Å; L704-L725 HydrophobicContact CD2-CD2 4.37Å; L704-L725 HydrophobicContact CD2-CG 4.28Å; L720-L725 HydrophobicContact CB-CD2 4.17Å; L720-L725 HydrophobicContact CD1-CD2 4.14Å; S721-L725 PolarHBondContact O-N 2.81Å; A722-L725 PolarHBondContact O-N 2.86Å; D723-L725 VanDerWaalsContact C-N 3.35Å; L725-Q727 VanDerWaalsContact C-N 3.34Å; L725-Q727 PolarHBondContact O-N 3.37Å; L725-I728 PolarHBondContact O-N 2.94Å; L725-A729 WeakPolarHBondContact O-CB 3.45Å; L725-A729 PolarHBondContact O-N 3.31Å
726	R	89	Confident	88.8	Confident	126 Å²	126	30 Å²	30	48%	0.475	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-41.2	176	-79	-170.2	-84.5	-147	1.6	112.2	L697 A722 D723 A724 A729 C730	L697-R726 HydrophobicContact CD1-CG 3.83Å; L697-R726 HydrophobicContact CD2-CG 3.78Å; L697-R726 HydrophobicContact CG-CG 4.48Å; A722-R726 PolarHBondContact O-N 2.95Å; D723-R726 PolarHBondContact O-N 3.11Å; D723-R726 IonicContact OD1-CZ 3.35Å; D723-R726 IonicContact OD1-NE 3.5Å; D723-R726 IonicContact OD1-NH2 2.84Å; D723-R726 PolarHBondContact OD1-NH2 2.96Å; A724-R726 PolarHBondContact O-N 3.36Å; R726-A729 PolarHBondContact O-N 3.23Å; R726-C730 WeakPolarHBondContact O-CB 3.37Å; R726-C730 PolarHBondContact O-N 2.73Å
727	Q	88.8	Confident	88.9	Confident	18 Å²	18	29.5 Å²	29.5	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-47.8	174.1	-74.5	-178.3	27.8	0	0	111.3	M682 D723 A724 L725 A729 C730 W731 V742 D743	M682-Q727 HydrophobicContact SD-CG 4.11Å; D723-Q727 WeakPolarHBondContact O-CG 3.38Å; D723-Q727 PolarHBondContact O-N 3.43Å; A724-Q727 PolarHBondContact O-N 3.06Å; L725-Q727 VanDerWaalsContact C-N 3.34Å; L725-Q727 PolarHBondContact O-N 3.37Å; Q727-A729 VanDerWaalsContact C-N 3.35Å; Q727-A729 PolarHBondContact O-N 3.45Å; Q727-C730 PolarHBondContact O-N 2.94Å; Q727-W731 WeakPolarHBondContact O-CB 3.37Å; Q727-W731 PolarHBondContact O-N 3.18Å; Q727-V742 HydrophobicContact CB-CG1 4.04Å; Q727-D743 PolarHBondContact NE2-OD2 3.49Å; Q727-D743 VanDerWaalsContact OE1-N 3.12Å
728	I	92.4	Very high	89.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-46.4	177.6	-65.8	164.3	0	0	0	110.5	L700 L720 A724 L725 C730 L732 P733 L739 V742 M745 I757 L761	L700-I728 HydrophobicContact CD1-CB 4.05Å; L700-I728 HydrophobicContact CD1-CG2 3.7Å; L700-I728 HydrophobicContact CD2-CG2 4.28Å; L720-I728 HydrophobicContact CD1-CD1 4.21Å; A724-I728 VanDerWaalsContact O-CG1 3.26Å; A724-I728 WeakPolarHBondContact O-CG1 3.36Å; A724-I728 PolarHBondContact O-N 3.23Å; L725-I728 PolarHBondContact O-N 2.94Å; I728-C730 PolarHBondContact O-N 3.36Å; I728-L732 WeakPolarHBondContact O-CA 3.33Å; I728-L732 PolarHBondContact O-N 2.88Å; I728-P733 HydrophobicContact CG2-CG 4.2Å; I728-P733 WeakPolarHBondContact O-CD 3.39Å; I728-L739 HydrophobicContact CD1-CD1 3.92Å; I728-L739 HydrophobicContact CG1-CD1 3.88Å; I728-V742 HydrophobicContact CD1-CG1 4.38Å; I728-V742 HydrophobicContact CG1-CB 4.43Å; I728-V742 HydrophobicContact CG1-CG1 3.97Å; I728-V742 HydrophobicContact CG1-CG2 3.81Å; I728-M745 HydrophobicContact CD1-CE 4.2Å; I728-I757 HydrophobicContact CG2-CG2 4.22Å; I728-L761 HydrophobicContact CG2-CD1 3.82Å; I728-L761 HydrophobicContact CG2-CD2 4.03Å; I728-L761 HydrophobicContact CG2-CG 4.42Å
729	A	92.1	Very high	89.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-38.3	-177	0	0	0	0	0	113.4	S693 C696 L697 L700 L725 R726 Q727	S693-A729 PolarHBondContact OG-O 3.26Å; C696-A729 HydrophobicContact CB-CB 4.24Å; L697-A729 HydrophobicContact CB-CB 3.71Å; L697-A729 HydrophobicContact CD1-CB 4.21Å; L700-A729 HydrophobicContact CD1-CB 3.98Å; L725-A729 WeakPolarHBondContact O-CB 3.45Å; L725-A729 PolarHBondContact O-N 3.31Å; R726-A729 PolarHBondContact O-N 3.23Å; Q727-A729 VanDerWaalsContact C-N 3.35Å; Q727-A729 PolarHBondContact O-N 3.45Å
730	C	88.1	Confident	89.5	Confident	22 Å²	22	26.5 Å²	26.5	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-82.9	-35.6	178.3	-68.3	0	0	0	0	113.2	M682 N685 R726 Q727 I728	M682-C730 HydrophobicContact CB-CB 4.04Å; M682-C730 HydrophobicContact CE-CB 3.89Å; M682-C730 HydrophobicContact CG-CB 3.48Å; M682-C730 VanDerWaalsContact CG-CB 3.48Å; M682-C730 HydrophobicContact SD-CB 4.12Å; N685-C730 WeakPolarHBondContact CB-O 3.28Å; N685-C730 PolarHBondContact ND2-O 3.34Å; R726-C730 WeakPolarHBondContact O-CB 3.37Å; R726-C730 PolarHBondContact O-N 2.73Å; Q727-C730 PolarHBondContact O-N 2.94Å; I728-C730 PolarHBondContact O-N 3.36Å
731	W	87.4	Confident	89.3	Confident	21 Å²	21	27.9 Å²	27.9	8%	0.08	15%	0.154	C	C	.	.	H	α-helix	trans	-75.9	-41.6	178.7	-178.7	13	0	0	0	112	A681 N685 Q727 P733 E738 V742	A681-W731 HydrophobicContact CB-CG 3.93Å; A681-W731 VanDerWaalsContact CB-NE1 3.34Å; N685-W731 PolarHBondContact ND2-O 3.39Å; Q727-W731 WeakPolarHBondContact O-CB 3.37Å; Q727-W731 PolarHBondContact O-N 3.18Å; W731-P733 HydrophobicContact CD2-CB 4.18Å; W731-P733 HydrophobicContact CE3-CB 4.2Å; W731-P733 HydrophobicContact CE3-CG 4.5Å; W731-E738 VanDerWaalsContact CH2-C 3.43Å; W731-E738 HydrophobicContact CH2-CB 3.74Å; W731-E738 HydrophobicContact CH2-CG 4.29Å; W731-E738 WeakPolarHBondContact CH2-O 3.5Å; W731-E738 HydrophobicContact CZ2-CB 3.53Å; W731-E738 HydrophobicContact CZ2-CG 3.69Å; W731-E738 WeakPolarHBondContact CZ3-O 3.41Å; W731-V742 HydrophobicContact CE3-CG2 3.67Å; W731-V742 HydrophobicContact CZ3-CG2 3.66Å
732	L	91.2	Very high	89.1	Confident	14 Å²	14	26.6 Å²	26.6	7%	0.073	15%	0.145	C	C	.	.			trans	55.4	59.7	-169.7	-60.2	170.9	0	0	0	111.8	I692 C696 I728 R734 L761 F764 W765 V768	I692-L732 HydrophobicContact CG2-CD1 4.39Å; C696-L732 HydrophobicContact CB-CD2 4.27Å; I728-L732 WeakPolarHBondContact O-CA 3.33Å; I728-L732 PolarHBondContact O-N 2.88Å; L732-R734 PolarHBondContact O-N 3.38Å; L732-L761 HydrophobicContact CD2-CD2 4.01Å; L732-F764 HydrophobicContact CD2-CB 4.06Å; L732-W765 PolarHBondContact O-NE1 2.9Å; L732-V768 HydrophobicContact CD1-CG2 3.78Å
733	P	91.2	Very high	88.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.			trans	-57	136.5	179.6	26.1	-34.1	0	0	0	109.9	I728 W731 E738 L739 L761 W765	I728-P733 HydrophobicContact CG2-CG 4.2Å; I728-P733 WeakPolarHBondContact O-CD 3.39Å; W731-P733 HydrophobicContact CD2-CB 4.18Å; W731-P733 HydrophobicContact CE3-CB 4.2Å; W731-P733 HydrophobicContact CE3-CG 4.5Å; P733-E738 HydrophobicContact CB-CB 3.71Å; P733-L739 HydrophobicContact CB-CB 4.38Å; P733-L739 HydrophobicContact CG-CB 4.45Å; P733-L739 HydrophobicContact CG-CD1 3.83Å; P733-L761 HydrophobicContact CG-CD1 4.01Å; P733-W765 WeakPolarHBondContact O-CZ2 3.34Å; P733-W765 PolarHBondContact O-NE1 3.04Å
734	R	91.2	Very high	88.9	Confident	28 Å²	28	26.9 Å²	26.9	11%	0.106	14%	0.143	C	C	.	.			trans	-107.7	-14.8	-177	-65.4	-158.4	179.6	-151.3	3.7	113.5	A107 I525 L732 E738 W765 D769	A107-R734 HydrophobicContact CB-CB 4.16Å; A107-R734 PolarHBondContact N-O 2.83Å; I525-R734 HydrophobicContact CG2-CB 4.15Å; L732-R734 PolarHBondContact O-N 3.38Å; R734-E738 PolarHBondContact N-OE2 3.07Å; R734-W765 HydrophobicContact CG-CD2 4.09Å; R734-W765 HydrophobicContact CG-CG 4.2Å; R734-W765 HydrophobicContact CG-CZ2 4.49Å; R734-W765 PolarHBondContact NH2-O 3.5Å; R734-D769 IonicContact CZ-OD1 3.43Å; R734-D769 IonicContact CZ-OD2 3.59Å; R734-D769 IonicContact NH1-OD1 3.54Å; R734-D769 PolarHBondContact NH1-OD1 2.82Å; R734-D769 IonicContact NH1-OD2 2.81Å; R734-D769 PolarHBondContact NH1-OD2 2.91Å; R734-D769 VanDerWaalsContact NH2-CG 3.33Å; R734-D769 IonicContact NH2-OD1 2.71Å; R734-D769 PolarHBondContact NH2-OD1 2.72Å; R734-D769 IonicContact NH2-OD2 3.44Å; R734-D769 PolarHBondContact NH2-OD2 2.71Å
735	T	90.6	Very high	88.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-128.1	157.5	-177.2	61.1	0	0	0	0	110.8	I525 D527 S737 E738 L739 M758	I525-T735 HydrophobicContact CG2-CG2 3.72Å; D527-T735 HydrophobicContact CB-CG2 3.95Å; T735-S737 VanDerWaalsContact C-N 3.31Å; T735-S737 PolarHBondContact O-N 2.81Å; T735-E738 PolarHBondContact N-OE2 2.68Å; T735-E738 WeakPolarHBondContact O-CB 3.44Å; T735-E738 PolarHBondContact O-N 3.08Å; T735-E738 VanDerWaalsContact O-N 3.15Å; T735-E738 WeakPolarHBondContact OG1-CB 3.31Å; T735-E738 WeakPolarHBondContact OG1-CG 3.42Å; T735-E738 PolarHBondContact OG1-N 3.39Å; T735-E738 PolarHBondContact OG1-OE2 3.12Å; T735-L739 PolarHBondContact O-N 3.31Å; T735-M758 WeakPolarHBondContact O-CE 3.18Å
736	Q	87.5	Confident	88.8	Confident	25 Å²	25	30.5 Å²	30.5	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-40.1	-180	-72.1	-162.8	-16.9	0	0	112.2	P102 L105 D527 E738 L739 L740 L750	P102-Q736 PolarHBondContact O-NE2 3.13Å; P102-Q736 PolarHBondContact O-OE1 3.45Å; L105-Q736 HydrophobicContact CB-CG 4.2Å; D527-Q736 PolarHBondContact OD2-N 3.07Å; Q736-E738 PolarHBondContact O-N 2.87Å; Q736-L739 PolarHBondContact O-N 2.97Å; Q736-L739 VanDerWaalsContact O-N 3.13Å; Q736-L740 PolarHBondContact O-N 3.12Å; Q736-L750 HydrophobicContact CB-CD1 4.33Å; Q736-L750 HydrophobicContact CB-CD2 3.85Å; Q736-L750 HydrophobicContact CG-CD1 4.29Å; Q736-L750 HydrophobicContact CG-CD2 4.25Å
737	S	87.1	Confident	88.8	Confident	38 Å²	38	32.1 Å²	32.1	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-61.4	-34.5	175.5	-64.9	0	0	0	0	112.8	D527 A529 T735 G741	D527-S737 WeakPolarHBondContact OD1-CB 3.24Å; D527-S737 PolarHBondContact OD1-OG 3.4Å; D527-S737 PolarHBondContact OD2-N 3.19Å; D527-S737 PolarHBondContact OD2-OG 3.03Å; A529-S737 WeakPolarHBondContact CB-OG 3.4Å; T735-S737 VanDerWaalsContact C-N 3.31Å; T735-S737 PolarHBondContact O-N 2.81Å; S737-G741 PolarHBondContact O-N 3.27Å
738	E	89	Confident	88.9	Confident	25 Å²	25	41.9 Å²	41.9	12%	0.117	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-48.2	172.3	-72.8	168.5	172.8	0	0	110	K516 W731 P733 R734 T735 Q736 L740 G741	K516-E738 IonicContact NZ-OE1 3.67Å; K516-E738 PolarHBondContact NZ-OE1 2.6Å; W731-E738 VanDerWaalsContact CH2-C 3.43Å; W731-E738 HydrophobicContact CH2-CB 3.74Å; W731-E738 HydrophobicContact CH2-CG 4.29Å; W731-E738 WeakPolarHBondContact CH2-O 3.5Å; W731-E738 HydrophobicContact CZ2-CB 3.53Å; W731-E738 HydrophobicContact CZ2-CG 3.69Å; W731-E738 WeakPolarHBondContact CZ3-O 3.41Å; P733-E738 HydrophobicContact CB-CB 3.71Å; R734-E738 PolarHBondContact N-OE2 3.07Å; T735-E738 PolarHBondContact N-OE2 2.68Å; T735-E738 WeakPolarHBondContact O-CB 3.44Å; T735-E738 PolarHBondContact O-N 3.08Å; T735-E738 VanDerWaalsContact O-N 3.15Å; T735-E738 WeakPolarHBondContact OG1-CB 3.31Å; T735-E738 WeakPolarHBondContact OG1-CG 3.42Å; T735-E738 PolarHBondContact OG1-N 3.39Å; T735-E738 PolarHBondContact OG1-OE2 3.12Å; Q736-E738 PolarHBondContact O-N 2.87Å; E738-L740 PolarHBondContact O-N 3.34Å; E738-G741 WeakPolarHBondContact O-CA 3.26Å; E738-G741 PolarHBondContact O-N 2.87Å
739	L	89.7	Confident	88.8	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-35.2	179.3	-171.8	58.6	0	0	0	112.7	I728 P733 T735 Q736 G741 V742 M745 L750 I757 M758	I728-L739 HydrophobicContact CD1-CD1 3.92Å; I728-L739 HydrophobicContact CG1-CD1 3.88Å; P733-L739 HydrophobicContact CB-CB 4.38Å; P733-L739 HydrophobicContact CG-CB 4.45Å; P733-L739 HydrophobicContact CG-CD1 3.83Å; T735-L739 PolarHBondContact O-N 3.31Å; Q736-L739 PolarHBondContact O-N 2.97Å; Q736-L739 VanDerWaalsContact O-N 3.13Å; L739-G741 PolarHBondContact O-N 3.34Å; L739-V742 HydrophobicContact CD1-CG2 4.16Å; L739-V742 VanDerWaalsContact O-CB 3.31Å; L739-V742 WeakPolarHBondContact O-CB 3.49Å; L739-V742 WeakPolarHBondContact O-CG2 3.25Å; L739-V742 PolarHBondContact O-N 2.99Å; L739-V742 VanDerWaalsContact O-N 3.15Å; L739-M745 HydrophobicContact CD1-CE 3.83Å; L739-M745 HydrophobicContact CD2-CE 4.32Å; L739-M745 HydrophobicContact CG-CE 3.91Å; L739-M745 HydrophobicContact CG-CG 4.34Å; L739-M745 WeakPolarHBondContact O-CB 3.35Å; L739-M745 VanDerWaalsContact O-CG 3.31Å; L739-M745 WeakPolarHBondContact O-CG 3.45Å; L739-L750 HydrophobicContact CB-CD1 4.11Å; L739-L750 HydrophobicContact CD2-CD1 3.63Å; L739-L750 HydrophobicContact CG-CD1 4.03Å; L739-I757 HydrophobicContact CD1-CG2 4.2Å; L739-I757 HydrophobicContact CD2-CB 4.21Å; L739-I757 HydrophobicContact CD2-CD1 4.18Å; L739-I757 HydrophobicContact CD2-CG2 4Å; L739-M758 HydrophobicContact CB-CE 3.68Å; L739-M758 HydrophobicContact CD2-CE 3.86Å; L739-M758 HydrophobicContact CG-CE 4.37Å
740	L	88.7	Confident	88.7	Confident	60 Å²	60	44.6 Å²	44.6	31%	0.314	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.7	171.4	-79.3	166.4	0	0	0	114.2	Q736 E738 V742 E747 L750	Q736-L740 PolarHBondContact O-N 3.12Å; E738-L740 PolarHBondContact O-N 3.34Å; L740-V742 PolarHBondContact O-N 3.31Å; L740-E747 HydrophobicContact CD2-CG 4.09Å; L740-L750 HydrophobicContact CD1-CD2 3.64Å; L740-L750 HydrophobicContact CD2-CB 4.16Å; L740-L750 HydrophobicContact CD2-CD2 4.01Å; L740-L750 HydrophobicContact CG-CD2 3.62Å
741	G	84.9	Confident	88.8	Confident	30 Å²	30	46.8 Å²	46.8	31%	0.309	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.2	174.3	0	0	0	0	0	114.1	S737 E738 L739	S737-G741 PolarHBondContact O-N 3.27Å; E738-G741 WeakPolarHBondContact O-CA 3.26Å; E738-G741 PolarHBondContact O-N 2.87Å; L739-G741 PolarHBondContact O-N 3.34Å
742	V	87.2	Confident	88.9	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.27	C	S	.	.	S	Bend	trans	-77.7	136.4	173.2	177.2	0	0	0	0	109.5	A724 Q727 I728 W731 L739 L740 T744 M745	A724-V742 HydrophobicContact CB-CG1 3.89Å; Q727-V742 HydrophobicContact CB-CG1 4.04Å; I728-V742 HydrophobicContact CD1-CG1 4.38Å; I728-V742 HydrophobicContact CG1-CB 4.43Å; I728-V742 HydrophobicContact CG1-CG1 3.97Å; I728-V742 HydrophobicContact CG1-CG2 3.81Å; W731-V742 HydrophobicContact CE3-CG2 3.67Å; W731-V742 HydrophobicContact CZ3-CG2 3.66Å; L739-V742 HydrophobicContact CD1-CG2 4.16Å; L739-V742 VanDerWaalsContact O-CB 3.31Å; L739-V742 WeakPolarHBondContact O-CB 3.49Å; L739-V742 WeakPolarHBondContact O-CG2 3.25Å; L739-V742 PolarHBondContact O-N 2.99Å; L739-V742 VanDerWaalsContact O-N 3.15Å; L740-V742 PolarHBondContact O-N 3.31Å; V742-T744 PolarHBondContact O-N 3.04Å; V742-M745 HydrophobicContact CB-CB 4.15Å; V742-M745 VanDerWaalsContact O-CB 3.27Å; V742-M745 WeakPolarHBondContact O-CB 3.37Å; V742-M745 PolarHBondContact O-N 2.97Å; V742-M745 VanDerWaalsContact O-N 3.1Å
743	D	83.2	Confident	88.9	Confident	74 Å²	74	51.2 Å²	51.2	40%	0.396	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	139.2	178.5	-66.9	-23.1	0	0	0	111.1	A724 Q727 M745	A724-D743 WeakPolarHBondContact CB-O 3.31Å; Q727-D743 PolarHBondContact NE2-OD2 3.49Å; Q727-D743 VanDerWaalsContact OE1-N 3.12Å; D743-M745 PolarHBondContact O-N 3.46Å; D743-M745 VanDerWaalsContact O-N 3.15Å
744	T	85.4	Confident	88.9	Confident	73 Å²	73	51.2 Å²	51.2	45%	0.448	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	-0.6	-177.3	80.1	0	0	0	0	116.4	V742 K749	V742-T744 PolarHBondContact O-N 3.04Å; T744-K749 WeakPolarHBondContact O-CD 3.44Å; T744-K749 PolarHBondContact O-NZ 3.37Å
745	M	89.7	Confident	88.8	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.074	28%	0.279	C	S	.	.			trans	-78	123	170.5	-169.2	63.1	71.1	0	0	109.9	L720 I728 L739 V742 D743 K749 I757	L720-M745 HydrophobicContact CD1-CE 4.02Å; L720-M745 HydrophobicContact CD2-CE 3.51Å; L720-M745 HydrophobicContact CD2-SD 4.23Å; L720-M745 HydrophobicContact CG-CE 4.37Å; I728-M745 HydrophobicContact CD1-CE 4.2Å; L739-M745 HydrophobicContact CD1-CE 3.83Å; L739-M745 HydrophobicContact CD2-CE 4.32Å; L739-M745 HydrophobicContact CG-CE 3.91Å; L739-M745 HydrophobicContact CG-CG 4.34Å; L739-M745 WeakPolarHBondContact O-CB 3.35Å; L739-M745 VanDerWaalsContact O-CG 3.31Å; L739-M745 WeakPolarHBondContact O-CG 3.45Å; V742-M745 HydrophobicContact CB-CB 4.15Å; V742-M745 VanDerWaalsContact O-CB 3.27Å; V742-M745 WeakPolarHBondContact O-CB 3.37Å; V742-M745 PolarHBondContact O-N 2.97Å; V742-M745 VanDerWaalsContact O-N 3.1Å; D743-M745 PolarHBondContact O-N 3.46Å; D743-M745 VanDerWaalsContact O-N 3.15Å; M745-K749 HydrophobicContact SD-CB 3.77Å; M745-I757 HydrophobicContact CE-CD1 3.96Å
746	T	90.8	Very high	88.9	Confident	67 Å²	67	56.8 Å²	56.8	41%	0.411	30%	0.302	S	S	.	.			trans	-114.7	162.2	178.6	67.3	0	0	0	0	110.5	R748 K749 L750	T746-R748 PolarHBondContact O-N 3.01Å; T746-K749 PolarHBondContact O-N 3.08Å; T746-K749 VanDerWaalsContact O-N 3.07Å; T746-K749 WeakPolarHBondContact OG1-CG 3.42Å; T746-K749 PolarHBondContact OG1-N 3.25Å; T746-L750 WeakPolarHBondContact O-CB 3.41Å; T746-L750 PolarHBondContact O-N 2.99Å
747	E	89	Confident	89.1	Confident	160 Å²	160	55.6 Å²	55.6	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-55.6	-37.9	175.3	-67.7	-174.8	172.8	0	0	112.5	L740 L750 G751	L740-E747 HydrophobicContact CD2-CG 4.09Å; E747-L750 PolarHBondContact O-N 3.46Å; E747-G751 PolarHBondContact O-N 3.49Å
748	R	89.8	Confident	89.4	Confident	223 Å²	223	53.9 Å²	53.9	84%	0.842	28%	0.284	S	S	*	.	H	α-helix	trans	-65.1	-43.6	176.1	-176.6	178.9	-87	-170.5	-5.5	111.8	T746 G751 K752	T746-R748 PolarHBondContact O-N 3.01Å; R748-G751 PolarHBondContact O-N 3.48Å; R748-K752 PolarHBondContact O-N 3.12Å
749	K	91.1	Very high	89.6	Confident	46 Å²	46	57.7 Å²	57.7	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-41.1	176.1	-71.9	-177.9	-179.6	-171.6	0	111.4	I719 T744 M745 T746 K752 Y753	I719-K749 WeakPolarHBondContact O-CD 3.34Å; I719-K749 WeakPolarHBondContact O-CE 3.41Å; I719-K749 PolarHBondContact O-NZ 3.44Å; T744-K749 WeakPolarHBondContact O-CD 3.44Å; T744-K749 PolarHBondContact O-NZ 3.37Å; M745-K749 HydrophobicContact SD-CB 3.77Å; T746-K749 PolarHBondContact O-N 3.08Å; T746-K749 VanDerWaalsContact O-N 3.07Å; T746-K749 WeakPolarHBondContact OG1-CG 3.42Å; T746-K749 PolarHBondContact OG1-N 3.25Å; K749-K752 PolarHBondContact O-N 3.07Å; K749-Y753 HydrophobicContact CB-CD2 4.27Å; K749-Y753 WeakPolarHBondContact O-CD2 3.4Å; K749-Y753 PolarHBondContact O-N 3.27Å
750	L	89.7	Confident	89.8	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-46.4	175.8	-179.9	72.5	0	0	0	111.1	Q736 L739 L740 T746 E747 K752 G754	Q736-L750 HydrophobicContact CB-CD1 4.33Å; Q736-L750 HydrophobicContact CB-CD2 3.85Å; Q736-L750 HydrophobicContact CG-CD1 4.29Å; Q736-L750 HydrophobicContact CG-CD2 4.25Å; L739-L750 HydrophobicContact CB-CD1 4.11Å; L739-L750 HydrophobicContact CD2-CD1 3.63Å; L739-L750 HydrophobicContact CG-CD1 4.03Å; L740-L750 HydrophobicContact CD1-CD2 3.64Å; L740-L750 HydrophobicContact CD2-CB 4.16Å; L740-L750 HydrophobicContact CD2-CD2 4.01Å; L740-L750 HydrophobicContact CG-CD2 3.62Å; T746-L750 WeakPolarHBondContact O-CB 3.41Å; T746-L750 PolarHBondContact O-N 2.99Å; E747-L750 PolarHBondContact O-N 3.46Å; L750-K752 VanDerWaalsContact C-N 3.25Å; L750-K752 PolarHBondContact O-N 3.48Å; L750-G754 WeakPolarHBondContact O-CA 3.35Å; L750-G754 PolarHBondContact O-N 3.1Å
751	G	89.5	Confident	90.1	Very high	68 Å²	68	56.4 Å²	56.4	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-61	-34.7	178.7	0	0	0	0	0	113	E747 R748	E747-G751 PolarHBondContact O-N 3.49Å; R748-G751 PolarHBondContact O-N 3.48Å
752	K	90.4	Very high	90.5	Very high	108 Å²	108	58 Å²	58	47%	0.47	30%	0.298	S	S	.	.	H	α-helix	trans	-84.2	-44	-178.5	-165	173.9	176.1	-159.9	0	113.6	E711 R748 K749 L750	E711-K752 WeakPolarHBondContact OE1-CE 3.25Å; E711-K752 IonicContact OE1-NZ 3.18Å; E711-K752 PolarHBondContact OE1-NZ 2.65Å; E711-K752 IonicContact OE2-NZ 3.74Å; E711-K752 PolarHBondContact OE2-NZ 3.17Å; R748-K752 PolarHBondContact O-N 3.12Å; K749-K752 PolarHBondContact O-N 3.07Å; L750-K752 VanDerWaalsContact C-N 3.25Å; L750-K752 PolarHBondContact O-N 3.48Å
753	Y	91.8	Very high	90.8	Very high	21 Å²	21	61.6 Å²	61.6	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-113.7	-12.1	-169.7	-51	-61.5	0	0	0	114.4	W703 V707 E711 I719 K749 S755 H756 I757	W703-Y753 HydrophobicContact CH2-CG 4.46Å; V707-Y753 HydrophobicContact CG1-CD1 4.21Å; V707-Y753 HydrophobicContact CG1-CE1 3.78Å; E711-Y753 WeakPolarHBondContact OE1-CE1 3.38Å; E711-Y753 PolarHBondContact OE1-OH 3.43Å; E711-Y753 PolarHBondContact OE2-OH 3.09Å; E711-Y753 VanDerWaalsContact OE2-OH 3.09Å; I719-Y753 HydrophobicContact CG2-CD2 3.95Å; I719-Y753 HydrophobicContact CG2-CE1 4.36Å; I719-Y753 HydrophobicContact CG2-CE2 3.67Å; I719-Y753 HydrophobicContact CG2-CG 4.4Å; K749-Y753 HydrophobicContact CB-CD2 4.27Å; K749-Y753 WeakPolarHBondContact O-CD2 3.4Å; K749-Y753 PolarHBondContact O-N 3.27Å; Y753-S755 PolarHBondContact O-N 3.03Å; Y753-H756 PolarHBondContact O-N 3.38Å; Y753-H756 VanDerWaalsContact O-N 3.17Å; Y753-I757 WeakPolarHBondContact O-CG1 3.44Å; Y753-I757 PolarHBondContact O-N 3.48Å
754	G	90.3	Very high	91.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-39.1	-171.1	0	0	0	0	0	113.9	L750 M758	L750-G754 WeakPolarHBondContact O-CA 3.35Å; L750-G754 PolarHBondContact O-N 3.1Å; G754-M758 WeakPolarHBondContact O-CB 3.42Å; G754-M758 WeakPolarHBondContact O-CG 2.78Å; G754-M758 PolarHBondContact O-N 3.2Å
755	S	89.6	Confident	91.6	Very high	41 Å²	41	56 Å²	56	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-48.7	174.9	48.1	0	0	0	0	112.2	Y753 M758 N759	Y753-S755 PolarHBondContact O-N 3.03Å; S755-M758 PolarHBondContact O-N 3.49Å; S755-N759 WeakPolarHBondContact O-CB 3.36Å; S755-N759 PolarHBondContact O-N 3.27Å; S755-N759 PolarHBondContact O-ND2 3.41Å; S755-N759 PolarHBondContact O-OD1 2.95Å
756	H	91.5	Very high	91.6	Very high	103 Å²	103	58 Å²	58	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-45.1	-178.8	-70.8	-87.5	0	0	0	111.5	W703 Y753 M758 N759 L760	W703-H756 HydrophobicContact CZ2-CB 3.88Å; Y753-H756 PolarHBondContact O-N 3.38Å; Y753-H756 VanDerWaalsContact O-N 3.17Å; H756-M758 PolarHBondContact O-N 2.92Å; H756-N759 PolarHBondContact O-N 3.14Å; H756-L760 WeakPolarHBondContact O-CB 3.47Å; H756-L760 PolarHBondContact O-N 3.1Å
757	I	93.7	Very high	91.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-48.9	176.4	-64.3	167.7	0	0	0	109.8	L700 W703 L720 I728 L739 M745 Y753 N759 L760 L761	L700-I757 HydrophobicContact CD2-CG2 4.47Å; W703-I757 HydrophobicContact CH2-CD1 3.81Å; W703-I757 HydrophobicContact CH2-CG1 3.39Å; W703-I757 HydrophobicContact CZ2-CG1 3.95Å; W703-I757 HydrophobicContact CZ3-CD1 4.17Å; W703-I757 HydrophobicContact CZ3-CG1 3.71Å; L720-I757 HydrophobicContact CD1-CD1 3.88Å; I728-I757 HydrophobicContact CG2-CG2 4.22Å; L739-I757 HydrophobicContact CD1-CG2 4.2Å; L739-I757 HydrophobicContact CD2-CB 4.21Å; L739-I757 HydrophobicContact CD2-CD1 4.18Å; L739-I757 HydrophobicContact CD2-CG2 4Å; M745-I757 HydrophobicContact CE-CD1 3.96Å; Y753-I757 WeakPolarHBondContact O-CG1 3.44Å; Y753-I757 PolarHBondContact O-N 3.48Å; I757-N759 PolarHBondContact O-N 3.25Å; I757-L760 WeakPolarHBondContact O-CB 3.36Å; I757-L760 PolarHBondContact O-N 3.38Å; I757-L761 HydrophobicContact CG2-CD1 3.89Å; I757-L761 HydrophobicContact CG2-CG 4.27Å; I757-L761 VanDerWaalsContact O-CG 3.24Å; I757-L761 WeakPolarHBondContact O-CG 3.33Å; I757-L761 PolarHBondContact O-N 3.32Å
758	M	92.3	Very high	91.7	Very high	2 Å²	2	50 Å²	50	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-42.6	-179.6	-70.4	-66.8	176.9	0	0	112.5	T735 L739 G754 S755 H756 L760 L761 E762 W765	T735-M758 WeakPolarHBondContact O-CE 3.18Å; L739-M758 HydrophobicContact CB-CE 3.68Å; L739-M758 HydrophobicContact CD2-CE 3.86Å; L739-M758 HydrophobicContact CG-CE 4.37Å; G754-M758 WeakPolarHBondContact O-CB 3.42Å; G754-M758 WeakPolarHBondContact O-CG 2.78Å; G754-M758 PolarHBondContact O-N 3.2Å; S755-M758 PolarHBondContact O-N 3.49Å; H756-M758 PolarHBondContact O-N 2.92Å; M758-L760 VanDerWaalsContact C-N 3.32Å; M758-L760 PolarHBondContact O-N 3.14Å; M758-L761 PolarHBondContact O-N 3.06Å; M758-E762 PolarHBondContact O-N 2.96Å; M758-E762 VanDerWaalsContact O-N 3.12Å; M758-W765 HydrophobicContact CB-CH2 4.02Å; M758-W765 HydrophobicContact CG-CH2 4.41Å; M758-W765 VanDerWaalsContact O-CH2 3.27Å; M758-W765 WeakPolarHBondContact O-CH2 3.35Å; M758-W765 HydrophobicContact SD-CH2 3.54Å; M758-W765 VanDerWaalsContact SD-CH2 3.54Å; M758-W765 HydrophobicContact SD-CZ2 3.67Å
759	N	92.7	Very high	91.6	Very high	106 Å²	106	39.4 Å²	39.4	57%	0.567	22%	0.217	S	C	*	.	H	α-helix	trans	-64.9	-37.1	176.8	-69	-12.1	0	0	0	111.8	S755 H756 I757 L761 E762 P763	S755-N759 WeakPolarHBondContact O-CB 3.36Å; S755-N759 PolarHBondContact O-N 3.27Å; S755-N759 PolarHBondContact O-ND2 3.41Å; S755-N759 PolarHBondContact O-OD1 2.95Å; H756-N759 PolarHBondContact O-N 3.14Å; I757-N759 PolarHBondContact O-N 3.25Å; N759-L761 VanDerWaalsContact C-N 3.33Å; N759-E762 PolarHBondContact O-N 3.46Å; N759-P763 WeakPolarHBondContact O-CD 3.42Å
760	L	95.2	Very high	91.4	Very high	33 Å²	33	43.8 Å²	43.8	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-36.3	175.6	-175.1	154.5	0	0	0	111.9	A699 L700 W703 H756 I757 M758 P763 F764	A699-L760 HydrophobicContact CB-CD2 4.12Å; L700-L760 HydrophobicContact CD2-CD1 4.38Å; L700-L760 HydrophobicContact CD2-CD2 3.72Å; L700-L760 HydrophobicContact CG-CD2 3.77Å; W703-L760 HydrophobicContact CB-CD1 3.39Å; W703-L760 HydrophobicContact CD2-CD1 4.32Å; W703-L760 HydrophobicContact CG-CD1 3.7Å; H756-L760 WeakPolarHBondContact O-CB 3.47Å; H756-L760 PolarHBondContact O-N 3.1Å; I757-L760 WeakPolarHBondContact O-CB 3.36Å; I757-L760 PolarHBondContact O-N 3.38Å; M758-L760 VanDerWaalsContact C-N 3.32Å; M758-L760 PolarHBondContact O-N 3.14Å; L760-P763 WeakPolarHBondContact O-CD 3.33Å; L760-F764 HydrophobicContact CD2-CE2 4.14Å; L760-F764 WeakPolarHBondContact O-CD2 3.42Å; L760-F764 WeakPolarHBondContact O-CE2 3.48Å
761	L	94.6	Very high	91.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-76.5	-22.8	-179.8	-67.2	178.5	0	0	0	113.7	C696 L700 I728 L732 P733 I757 M758 N759 F764 W765	C696-L761 WeakPolarHBondContact SG-CD2 3.39Å; L700-L761 HydrophobicContact CD1-CD2 4.43Å; I728-L761 HydrophobicContact CG2-CD1 3.82Å; I728-L761 HydrophobicContact CG2-CD2 4.03Å; I728-L761 HydrophobicContact CG2-CG 4.42Å; L732-L761 HydrophobicContact CD2-CD2 4.01Å; P733-L761 HydrophobicContact CG-CD1 4.01Å; I757-L761 HydrophobicContact CG2-CD1 3.89Å; I757-L761 HydrophobicContact CG2-CG 4.27Å; I757-L761 VanDerWaalsContact O-CG 3.24Å; I757-L761 WeakPolarHBondContact O-CG 3.33Å; I757-L761 PolarHBondContact O-N 3.32Å; M758-L761 PolarHBondContact O-N 3.06Å; N759-L761 VanDerWaalsContact C-N 3.33Å; L761-F764 WeakPolarHBondContact O-CB 3.34Å; L761-F764 PolarHBondContact O-N 3.27Å; L761-W765 HydrophobicContact CB-CD2 4.32Å; L761-W765 VanDerWaalsContact CB-CE2 3.47Å; L761-W765 HydrophobicContact CB-CH2 4.2Å; L761-W765 HydrophobicContact CB-CZ2 3.38Å; L761-W765 HydrophobicContact CD1-CZ2 3.99Å; L761-W765 HydrophobicContact CG-CZ2 4.34Å; L761-W765 PolarHBondContact O-N 3.23Å
762	E	92.4	Very high	91.2	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-54.8	-46	-174.7	-176.4	167.2	-144.6	0	0	114.4	K110 M758 N759 F764 W765 N766	K110-E762 IonicContact NZ-OE1 3.75Å; K110-E762 PolarHBondContact NZ-OE1 2.97Å; M758-E762 PolarHBondContact O-N 2.96Å; M758-E762 VanDerWaalsContact O-N 3.12Å; N759-E762 PolarHBondContact O-N 3.46Å; E762-F764 VanDerWaalsContact C-N 3.28Å; E762-F764 PolarHBondContact O-N 3.04Å; E762-W765 HydrophobicContact CB-CE3 3.98Å; E762-W765 HydrophobicContact CB-CZ3 4.02Å; E762-W765 HydrophobicContact CG-CE3 4.27Å; E762-W765 HydrophobicContact CG-CZ3 4.47Å; E762-W765 WeakPolarHBondContact O-CB 3.28Å; E762-W765 PolarHBondContact O-N 3.23Å; E762-N766 PolarHBondContact O-N 2.8Å; E762-N766 PolarHBondContact O-ND2 2.8Å; E762-N766 PolarHBondContact O-OD1 2.82Å
763	P	93.7	Very high	90.7	Very high	79 Å²	79	42.5 Å²	42.5	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-37.9	174	-24.5	34.8	0	0	0	113.5	N759 L760 N766 E767	N759-P763 WeakPolarHBondContact O-CD 3.42Å; L760-P763 WeakPolarHBondContact O-CD 3.33Å; P763-N766 WeakPolarHBondContact O-CB 3.31Å; P763-N766 PolarHBondContact O-N 3.12Å; P763-E767 PolarHBondContact O-N 3.35Å
764	F	94.2	Very high	90.4	Very high	23 Å²	23	45.9 Å²	45.9	10%	0.101	23%	0.23	C	C	.	.	H	α-helix	trans	-72.6	-38.1	179.5	-59.4	-80.1	0	0	0	111.8	I692 R695 C696 A699 L732 L760 L761 E762 N766 E767 V768	I692-F764 HydrophobicContact CG2-CB 4.08Å; I692-F764 HydrophobicContact CG2-CD1 3.84Å; I692-F764 HydrophobicContact CG2-CG 4.44Å; R695-F764 HydrophobicContact CB-CE1 3.94Å; C696-F764 HydrophobicContact CB-CD1 3.86Å; C696-F764 HydrophobicContact CB-CD2 4.2Å; C696-F764 HydrophobicContact CB-CE1 3.89Å; C696-F764 HydrophobicContact CB-CE2 4.23Å; C696-F764 HydrophobicContact CB-CG 4.02Å; C696-F764 HydrophobicContact CB-CZ 4.08Å; A699-F764 HydrophobicContact CB-CE2 4.08Å; A699-F764 HydrophobicContact CB-CZ 3.86Å; L732-F764 HydrophobicContact CD2-CB 4.06Å; L760-F764 HydrophobicContact CD2-CE2 4.14Å; L760-F764 WeakPolarHBondContact O-CD2 3.42Å; L760-F764 WeakPolarHBondContact O-CE2 3.48Å; L761-F764 WeakPolarHBondContact O-CB 3.34Å; L761-F764 PolarHBondContact O-N 3.27Å; E762-F764 VanDerWaalsContact C-N 3.28Å; E762-F764 PolarHBondContact O-N 3.04Å; F764-N766 VanDerWaalsContact C-N 3.28Å; F764-N766 PolarHBondContact O-N 3.45Å; F764-E767 PolarHBondContact O-N 2.91Å; F764-V768 WeakPolarHBondContact O-CG2 3.39Å; F764-V768 PolarHBondContact O-N 3.05Å
765	W	91.4	Very high	90.1	Very high	6 Å²	6	52.2 Å²	52.2	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-44	171	-59.9	-22.7	0	0	0	111.2	A107 L732 P733 R734 M758 L761 E762 E767 V768 D769	A107-W765 HydrophobicContact CB-CE3 4.28Å; A107-W765 HydrophobicContact CB-CZ3 4.06Å; L732-W765 PolarHBondContact O-NE1 2.9Å; P733-W765 WeakPolarHBondContact O-CZ2 3.34Å; P733-W765 PolarHBondContact O-NE1 3.04Å; R734-W765 HydrophobicContact CG-CD2 4.09Å; R734-W765 HydrophobicContact CG-CG 4.2Å; R734-W765 HydrophobicContact CG-CZ2 4.49Å; R734-W765 PolarHBondContact NH2-O 3.5Å; M758-W765 HydrophobicContact CB-CH2 4.02Å; M758-W765 HydrophobicContact CG-CH2 4.41Å; M758-W765 VanDerWaalsContact O-CH2 3.27Å; M758-W765 WeakPolarHBondContact O-CH2 3.35Å; M758-W765 HydrophobicContact SD-CH2 3.54Å; M758-W765 VanDerWaalsContact SD-CH2 3.54Å; M758-W765 HydrophobicContact SD-CZ2 3.67Å; L761-W765 HydrophobicContact CB-CD2 4.32Å; L761-W765 VanDerWaalsContact CB-CE2 3.47Å; L761-W765 HydrophobicContact CB-CH2 4.2Å; L761-W765 HydrophobicContact CB-CZ2 3.38Å; L761-W765 HydrophobicContact CD1-CZ2 3.99Å; L761-W765 HydrophobicContact CG-CZ2 4.34Å; L761-W765 PolarHBondContact O-N 3.23Å; E762-W765 HydrophobicContact CB-CE3 3.98Å; E762-W765 HydrophobicContact CB-CZ3 4.02Å; E762-W765 HydrophobicContact CG-CE3 4.27Å; E762-W765 HydrophobicContact CG-CZ3 4.47Å; E762-W765 WeakPolarHBondContact O-CB 3.28Å; E762-W765 PolarHBondContact O-N 3.23Å; W765-E767 VanDerWaalsContact C-N 3.34Å; W765-E767 PolarHBondContact O-N 3.32Å; W765-V768 PolarHBondContact O-N 3.22Å; W765-D769 WeakPolarHBondContact O-CB 3.44Å; W765-D769 PolarHBondContact O-N 3.04Å
766	N	90.2	Very high	89.7	Confident	59 Å²	59	52 Å²	52	32%	0.316	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-42.1	-179.3	-65.2	-20.6	0	0	0	111.5	N113 E762 P763 F764 D769 Q770	N113-N766 VanDerWaalsContact ND2-CA 3.31Å; N113-N766 WeakPolarHBondContact ND2-CA 3.5Å; N113-N766 VanDerWaalsContact ND2-CB 3.29Å; N113-N766 WeakPolarHBondContact ND2-CB 3.24Å; N113-N766 PolarHBondContact ND2-OD1 2.82Å; E762-N766 PolarHBondContact O-N 2.8Å; E762-N766 PolarHBondContact O-ND2 2.8Å; E762-N766 PolarHBondContact O-OD1 2.82Å; P763-N766 WeakPolarHBondContact O-CB 3.31Å; P763-N766 PolarHBondContact O-N 3.12Å; F764-N766 VanDerWaalsContact C-N 3.28Å; F764-N766 PolarHBondContact O-N 3.45Å; N766-D769 PolarHBondContact O-N 2.87Å; N766-Q770 WeakPolarHBondContact O-CB 3.32Å; N766-Q770 PolarHBondContact O-N 3.15Å
767	E	91.8	Very high	89.1	Confident	46 Å²	46	51.5 Å²	51.5	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-41.7	177.5	-165.5	-178.1	155	0	0	112.2	I692 R695 P763 F764 W765 Q770 R771	I692-E767 HydrophobicContact CD1-CB 4.5Å; I692-E767 HydrophobicContact CD1-CG 4.22Å; R695-E767 IonicContact CZ-OE1 2.71Å; R695-E767 IonicContact CZ-OE2 2.68Å; R695-E767 IonicContact NH1-OE1 2.65Å; R695-E767 IonicContact NH1-OE2 3.41Å; R695-E767 PolarHBondContact NH1-OE2 3.42Å; R695-E767 IonicContact NH2-OE1 2.66Å; R695-E767 PolarHBondContact NH2-OE1 3.34Å; R695-E767 IonicContact NH2-OE2 3.62Å; R695-E767 PolarHBondContact NH2-OE2 2.91Å; P763-E767 PolarHBondContact O-N 3.35Å; F764-E767 PolarHBondContact O-N 2.91Å; W765-E767 VanDerWaalsContact C-N 3.34Å; W765-E767 PolarHBondContact O-N 3.32Å; E767-Q770 PolarHBondContact O-N 2.77Å; E767-R771 WeakPolarHBondContact O-CG 3.44Å; E767-R771 PolarHBondContact O-N 3Å; E767-R771 IonicContact OE1-CZ 3.95Å; E767-R771 IonicContact OE1-NE 3.59Å; E767-R771 PolarHBondContact OE1-NE 2.67Å; E767-R771 IonicContact OE1-NH2 2.63Å; E767-R771 PolarHBondContact OE1-NH2 2.83Å
768	V	89.8	Confident	88.6	Confident	12 Å²	12	55.7 Å²	55.7	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-48.9	174.3	169.9	0	0	0	0	110.6	I692 L732 F764 W765 Q770 R771 E772	I692-V768 HydrophobicContact CD1-CG2 3.64Å; I692-V768 HydrophobicContact CG2-CG2 4.11Å; L732-V768 HydrophobicContact CD1-CG2 3.78Å; F764-V768 WeakPolarHBondContact O-CG2 3.39Å; F764-V768 PolarHBondContact O-N 3.05Å; W765-V768 PolarHBondContact O-N 3.22Å; V768-Q770 VanDerWaalsContact C-N 3.28Å; V768-Q770 PolarHBondContact O-N 2.87Å; V768-R771 PolarHBondContact O-N 2.91Å; V768-E772 HydrophobicContact CG1-CG 4.43Å; V768-E772 PolarHBondContact O-N 3.13Å
769	D	88.1	Confident	87.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-38.8	178.1	-72.7	-11.5	0	0	0	111	R112 N113 F114 R734 W765 N766 E772 S773	R112-D769 WeakPolarHBondContact CA-OD2 3.33Å; N113-D769 HydrophobicContact CB-CB 3.72Å; N113-D769 PolarHBondContact N-OD2 2.81Å; F114-D769 WeakPolarHBondContact CD1-O 3.16Å; F114-D769 HydrophobicContact CE1-CB 4.38Å; F114-D769 WeakPolarHBondContact CE1-O 3.44Å; F114-D769 HydrophobicContact CE2-CB 4.47Å; F114-D769 HydrophobicContact CZ-CB 4.11Å; R734-D769 IonicContact CZ-OD1 3.43Å; R734-D769 IonicContact CZ-OD2 3.59Å; R734-D769 IonicContact NH1-OD1 3.54Å; R734-D769 PolarHBondContact NH1-OD1 2.82Å; R734-D769 IonicContact NH1-OD2 2.81Å; R734-D769 PolarHBondContact NH1-OD2 2.91Å; R734-D769 VanDerWaalsContact NH2-CG 3.33Å; R734-D769 IonicContact NH2-OD1 2.71Å; R734-D769 PolarHBondContact NH2-OD1 2.72Å; R734-D769 IonicContact NH2-OD2 3.44Å; R734-D769 PolarHBondContact NH2-OD2 2.71Å; W765-D769 WeakPolarHBondContact O-CB 3.44Å; W765-D769 PolarHBondContact O-N 3.04Å; N766-D769 PolarHBondContact O-N 2.87Å; D769-E772 PolarHBondContact O-N 3.1Å; D769-S773 VanDerWaalsContact O-CB 3.32Å; D769-S773 WeakPolarHBondContact O-CB 3.45Å; D769-S773 PolarHBondContact O-N 3.21Å
770	Q	87.1	Confident	87	Confident	138 Å²	138	54.1 Å²	54.1	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-45.6	176.1	-171.5	178.7	11.1	0	0	112.1	N766 E767 V768 S773 E774	N766-Q770 WeakPolarHBondContact O-CB 3.32Å; N766-Q770 PolarHBondContact O-N 3.15Å; E767-Q770 PolarHBondContact O-N 2.77Å; V768-Q770 VanDerWaalsContact C-N 3.28Å; V768-Q770 PolarHBondContact O-N 2.87Å; Q770-S773 VanDerWaalsContact O-CB 3.29Å; Q770-S773 WeakPolarHBondContact O-CB 3.4Å; Q770-S773 PolarHBondContact O-N 3.47Å; Q770-E774 PolarHBondContact O-N 3.11Å
771	R	89.1	Confident	86.2	Confident	90 Å²	90	57.2 Å²	57.2	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-66.5	-40.5	178.6	-69.4	-172.6	-171.5	-169.5	5.6	112.5	D691 E767 V768 S773 E774 R775	D691-R771 VanDerWaalsContact CG-NH1 3.28Å; D691-R771 IonicContact OD1-CZ 2.82Å; D691-R771 IonicContact OD1-NH1 3.43Å; D691-R771 PolarHBondContact OD1-NH1 3.46Å; D691-R771 IonicContact OD2-CZ 2.76Å; D691-R771 IonicContact OD2-NH1 3.99Å; D691-R771 PolarHBondContact OD2-NH1 2.82Å; D691-R771 IonicContact OD2-NH2 3.01Å; D691-R771 PolarHBondContact OD2-NH2 3.48Å; E767-R771 WeakPolarHBondContact O-CG 3.44Å; E767-R771 PolarHBondContact O-N 3Å; E767-R771 IonicContact OE1-CZ 3.95Å; E767-R771 IonicContact OE1-NE 3.59Å; E767-R771 PolarHBondContact OE1-NE 2.67Å; E767-R771 IonicContact OE1-NH2 2.63Å; E767-R771 PolarHBondContact OE1-NH2 2.83Å; V768-R771 PolarHBondContact O-N 2.91Å; R771-S773 PolarHBondContact O-N 3.41Å; R771-E774 PolarHBondContact O-N 2.97Å; R771-R775 PolarHBondContact O-N 3.19Å
772	E	84.4	Confident	85.4	Confident	53 Å²	53	62.4 Å²	62.4	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-34	174.2	-74.8	-163.4	149.3	0	0	111	R112 F114 V768 D769 R775 M776	R112-E772 IonicContact NH1-OE2 2.71Å; R112-E772 PolarHBondContact NH1-OE2 3.21Å; F114-E772 HydrophobicContact CE1-CB 3.42Å; F114-E772 VanDerWaalsContact CE1-CB 3.42Å; F114-E772 HydrophobicContact CZ-CB 3.56Å; F114-E772 WeakPolarHBondContact CZ-OE2 3.34Å; V768-E772 HydrophobicContact CG1-CG 4.43Å; V768-E772 PolarHBondContact O-N 3.13Å; D769-E772 PolarHBondContact O-N 3.1Å; E772-R775 PolarHBondContact O-N 3.39Å; E772-M776 WeakPolarHBondContact O-CB 3.47Å; E772-M776 PolarHBondContact O-N 3.06Å
773	S	81.6	Confident	84.3	Confident	17 Å²	17	61 Å²	61	12%	0.119	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-46.9	-180	-166.1	0	0	0	0	110.4	F114 D769 Q770 R771 M776 K777	F114-S773 VanDerWaalsContact CD1-CB 3.49Å; F114-S773 VanDerWaalsContact CE1-N 3.27Å; D769-S773 VanDerWaalsContact O-CB 3.32Å; D769-S773 WeakPolarHBondContact O-CB 3.45Å; D769-S773 PolarHBondContact O-N 3.21Å; Q770-S773 VanDerWaalsContact O-CB 3.29Å; Q770-S773 WeakPolarHBondContact O-CB 3.4Å; Q770-S773 PolarHBondContact O-N 3.47Å; R771-S773 PolarHBondContact O-N 3.41Å; S773-M776 WeakPolarHBondContact O-CB 3.39Å; S773-M776 PolarHBondContact O-N 3.28Å; S773-K777 WeakPolarHBondContact O-CG 3.42Å; S773-K777 PolarHBondContact O-N 3.43Å
774	E	85.1	Confident	83.2	Confident	92 Å²	92	61.3 Å²	61.3	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-43.2	178.8	-172.1	52.5	-142.9	0	0	111.2	Q770 R771 M776 K777 Q778	Q770-E774 PolarHBondContact O-N 3.11Å; R771-E774 PolarHBondContact O-N 2.97Å; E774-M776 VanDerWaalsContact C-N 3.32Å; E774-M776 PolarHBondContact O-N 3.04Å; E774-K777 PolarHBondContact O-N 2.73Å; E774-Q778 WeakPolarHBondContact O-CG 3.44Å; E774-Q778 PolarHBondContact O-N 2.8Å
775	R	83.9	Confident	82.3	Confident	134 Å²	134	65.9 Å²	65.9	51%	0.506	31%	0.306	S	S	.	.	H	α-helix	trans	-59.3	-43.7	174.5	-172.1	179.8	-69.8	-162.3	0.6	111.7	R771 E772 K777 Q778 D779	R771-R775 PolarHBondContact O-N 3.19Å; E772-R775 PolarHBondContact O-N 3.39Å; R775-K777 PolarHBondContact O-N 3.08Å; R775-Q778 PolarHBondContact O-N 2.91Å; R775-D779 PolarHBondContact O-N 3.28Å
776	M	80.3	Confident	81.3	Confident	36 Å²	36	73 Å²	73	18%	0.177	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-41.3	177.6	172.9	169.1	38.2	0	0	112.5	F114 P313 K314 E772 S773 E774 D779 L780	F114-M776 HydrophobicContact CB-CE 4.26Å; F114-M776 HydrophobicContact CD1-CE 3.64Å; F114-M776 HydrophobicContact CE1-CE 4.25Å; F114-M776 HydrophobicContact CG-CE 4.02Å; P313-M776 HydrophobicContact CB-CE 4.34Å; K314-M776 HydrophobicContact CB-CG 4.38Å; K314-M776 HydrophobicContact CB-SD 3.67Å; K314-M776 HydrophobicContact CG-CG 4.31Å; K314-M776 HydrophobicContact CG-SD 4.25Å; E772-M776 WeakPolarHBondContact O-CB 3.47Å; E772-M776 PolarHBondContact O-N 3.06Å; S773-M776 WeakPolarHBondContact O-CB 3.39Å; S773-M776 PolarHBondContact O-N 3.28Å; E774-M776 VanDerWaalsContact C-N 3.32Å; E774-M776 PolarHBondContact O-N 3.04Å; M776-D779 PolarHBondContact O-N 3.14Å; M776-L780 PolarHBondContact O-N 3.33Å
777	K	79.4	Confident	80.1	Confident	92 Å²	92	71.8 Å²	71.8	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.1	-71.1	175.5	-175.1	177	0	111.7	V317 S773 E774 R775 D779 L780 L781	V317-K777 HydrophobicContact CG1-CG 4.47Å; S773-K777 WeakPolarHBondContact O-CG 3.42Å; S773-K777 PolarHBondContact O-N 3.43Å; E774-K777 PolarHBondContact O-N 2.73Å; R775-K777 PolarHBondContact O-N 3.08Å; K777-D779 VanDerWaalsContact C-N 3.34Å; K777-D779 PolarHBondContact O-N 3.36Å; K777-L780 WeakPolarHBondContact O-CB 3.21Å; K777-L780 PolarHBondContact O-N 3.24Å; K777-L781 WeakPolarHBondContact O-CG 3.49Å; K777-L781 PolarHBondContact O-N 2.8Å
778	Q	83.7	Confident	79.1	Confident	88 Å²	88	76.8 Å²	76.8	41%	0.411	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.6	-70.7	179.2	5.9	0	0	112.4	E774 R775 L781 K782	E774-Q778 WeakPolarHBondContact O-CG 3.44Å; E774-Q778 PolarHBondContact O-N 2.8Å; R775-Q778 PolarHBondContact O-N 2.91Å; Q778-L781 PolarHBondContact O-N 2.75Å; Q778-K782 WeakPolarHBondContact O-CG 3.42Å; Q778-K782 PolarHBondContact O-N 3.08Å
779	D	77.1	Confident	78.2	Confident	71 Å²	71	81 Å²	81	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-67.5	-39.2	177.5	-73.2	-17.8	0	0	0	111.6	R775 M776 K777 K782 L783	R775-D779 PolarHBondContact O-N 3.28Å; M776-D779 PolarHBondContact O-N 3.14Å; K777-D779 VanDerWaalsContact C-N 3.34Å; K777-D779 PolarHBondContact O-N 3.36Å; D779-K782 PolarHBondContact O-N 3.01Å; D779-K782 IonicContact OD1-NZ 2.68Å; D779-L783 VanDerWaalsContact O-CD1 3.26Å; D779-L783 WeakPolarHBondContact O-CD1 3.29Å; D779-L783 WeakPolarHBondContact O-CG 3.31Å; D779-L783 PolarHBondContact O-N 3.18Å
780	L	73.5	Confident	77.1	Confident	5 Å²	5	86.6 Å²	86.6	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-57.6	-49.3	170.9	-83.1	165.7	0	0	0	111.6	K314 V317 D318 M776 K777 K782 L783 E784	K314-L780 HydrophobicContact CD-CD2 4.31Å; K314-L780 HydrophobicContact CG-CD1 3.96Å; K314-L780 HydrophobicContact CG-CD2 3.98Å; K314-L780 HydrophobicContact CG-CG 4.09Å; V317-L780 HydrophobicContact CG1-CD1 4.24Å; D318-L780 HydrophobicContact CB-CD2 4.35Å; M776-L780 PolarHBondContact O-N 3.33Å; K777-L780 WeakPolarHBondContact O-CB 3.21Å; K777-L780 PolarHBondContact O-N 3.24Å; L780-K782 PolarHBondContact O-N 3.37Å; L780-L783 PolarHBondContact O-N 3.47Å; L780-L783 VanDerWaalsContact O-N 3.11Å; L780-E784 PolarHBondContact O-N 3.21Å
781	L	78.6	Confident	76	Confident	98 Å²	98	82.6 Å²	82.6	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-60.1	-43	178.2	-73.3	166.2	0	0	0	112.5	K777 Q778 L783 E784 Q785	K777-L781 WeakPolarHBondContact O-CG 3.49Å; K777-L781 PolarHBondContact O-N 2.8Å; Q778-L781 PolarHBondContact O-N 2.75Å; L781-L783 VanDerWaalsContact C-N 3.27Å; L781-L783 PolarHBondContact O-N 3.24Å; L781-E784 PolarHBondContact O-N 3.28Å; L781-Q785 WeakPolarHBondContact O-CG 3.41Å; L781-Q785 PolarHBondContact O-N 3.05Å
782	K	78.9	Confident	75	Confident	108 Å²	108	82.3 Å²	82.3	47%	0.47	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-36.1	176.2	-74	171.1	-170.1	162.2	0	112	Q778 D779 L780 R786	Q778-K782 WeakPolarHBondContact O-CG 3.42Å; Q778-K782 PolarHBondContact O-N 3.08Å; D779-K782 PolarHBondContact O-N 3.01Å; D779-K782 IonicContact OD1-NZ 2.68Å; L780-K782 PolarHBondContact O-N 3.37Å; K782-R786 WeakPolarHBondContact O-CG 3.31Å; K782-R786 PolarHBondContact O-N 3.38Å
783	L	68.4	Low	74.2	Confident	32 Å²	32	87.8 Å²	87.8	17%	0.168	40%	0.396	C	S	.	.	H	α-helix	trans	-71.6	-43.4	179.1	-68.9	159.6	0	0	0	110.9	W281 D779 L780 L781 Q785 R786 D787	W281-L783 HydrophobicContact CH2-CB 3.95Å; W281-L783 HydrophobicContact CH2-CD1 3.51Å; W281-L783 HydrophobicContact CH2-CD2 3.85Å; W281-L783 HydrophobicContact CH2-CG 3.95Å; W281-L783 HydrophobicContact CZ2-CB 3.6Å; W281-L783 HydrophobicContact CZ2-CD1 3.61Å; W281-L783 HydrophobicContact CZ2-CD2 4.39Å; W281-L783 HydrophobicContact CZ2-CG 4.03Å; W281-L783 HydrophobicContact CZ3-CD1 4.16Å; D779-L783 VanDerWaalsContact O-CD1 3.26Å; D779-L783 WeakPolarHBondContact O-CD1 3.29Å; D779-L783 WeakPolarHBondContact O-CG 3.31Å; D779-L783 PolarHBondContact O-N 3.18Å; L780-L783 PolarHBondContact O-N 3.47Å; L780-L783 VanDerWaalsContact O-N 3.11Å; L781-L783 VanDerWaalsContact C-N 3.27Å; L781-L783 PolarHBondContact O-N 3.24Å; L783-Q785 VanDerWaalsContact C-N 3.33Å; L783-Q785 PolarHBondContact O-N 3.28Å; L783-R786 WeakPolarHBondContact O-CB 3.27Å; L783-R786 PolarHBondContact O-N 2.86Å; L783-R786 VanDerWaalsContact O-N 3.13Å; L783-D787 PolarHBondContact O-N 3.48Å
784	E	70.6	Confident	73.2	Confident	86 Å²	86	91.8 Å²	91.8	40%	0.402	42%	0.419	S	S	.	.	H	α-helix	trans	-58.9	-43.9	173.4	-72.2	-177.8	156.7	0	0	112	L780 L781 R786 D787 Y788	L780-E784 PolarHBondContact O-N 3.21Å; L781-E784 PolarHBondContact O-N 3.28Å; E784-R786 VanDerWaalsContact C-N 3.32Å; E784-R786 PolarHBondContact O-N 3.09Å; E784-D787 PolarHBondContact O-N 3.32Å; E784-Y788 WeakPolarHBondContact O-CB 3.42Å; E784-Y788 PolarHBondContact O-N 3.19Å
785	Q	75	Confident	71.8	Confident	119 Å²	119	94.4 Å²	94.4	56%	0.556	43%	0.433	S	S	*	.	H	α-helix	trans	-61	-40.4	175.1	-74.4	176.5	2.4	0	0	112.2	L781 L783 Y788 Q789	L781-Q785 WeakPolarHBondContact O-CG 3.41Å; L781-Q785 PolarHBondContact O-N 3.05Å; L783-Q785 VanDerWaalsContact C-N 3.33Å; L783-Q785 PolarHBondContact O-N 3.28Å; Q785-Y788 PolarHBondContact O-N 3.33Å; Q785-Q789 WeakPolarHBondContact O-CB 3.33Å; Q785-Q789 VanDerWaalsContact O-CG 3.29Å; Q785-Q789 WeakPolarHBondContact O-CG 3.46Å; Q785-Q789 PolarHBondContact O-N 2.91Å
786	R	71.2	Confident	70.8	Confident	157 Å²	157	95.3 Å²	95.3	59%	0.592	45%	0.445	S	S	*	.	H	α-helix	trans	-64.1	-43.8	176.4	-80.3	177	177.2	179.6	1.1	111.6	K782 L783 E784 Y788 Q789 R790	K782-R786 WeakPolarHBondContact O-CG 3.31Å; K782-R786 PolarHBondContact O-N 3.38Å; L783-R786 WeakPolarHBondContact O-CB 3.27Å; L783-R786 PolarHBondContact O-N 2.86Å; L783-R786 VanDerWaalsContact O-N 3.13Å; E784-R786 VanDerWaalsContact C-N 3.32Å; E784-R786 PolarHBondContact O-N 3.09Å; R786-Y788 VanDerWaalsContact C-N 3.35Å; R786-Q789 PolarHBondContact O-N 2.67Å; R786-R790 WeakPolarHBondContact O-CB 3.36Å; R786-R790 PolarHBondContact O-N 2.75Å
787	D	65.6	Low	69.5	Low	33 Å²	33	100.1 Å²	100.1	18%	0.176	47%	0.471	C	S	.	.	H	α-helix	trans	-66.4	-38.9	178.1	-74.8	-30.1	0	0	0	111.3	T491 L783 E784 R790 A791	T491-D787 PolarHBondContact OG1-OD1 2.91Å; L783-D787 PolarHBondContact O-N 3.48Å; E784-D787 PolarHBondContact O-N 3.32Å; D787-R790 PolarHBondContact O-N 2.82Å; D787-A791 WeakPolarHBondContact O-CB 3.32Å; D787-A791 PolarHBondContact O-N 3.07Å
788	Y	68.9	Low	67.7	Low	151 Å²	151	100.3 Å²	100.3	59%	0.592	48%	0.477	S	S	*	.	H	α-helix	trans	-61.1	-48.8	173.1	-176.6	-98.3	0	0	0	112.4	E784 Q785 R786 R790 A791 Q792	E784-Y788 WeakPolarHBondContact O-CB 3.42Å; E784-Y788 PolarHBondContact O-N 3.19Å; Q785-Y788 PolarHBondContact O-N 3.33Å; R786-Y788 VanDerWaalsContact C-N 3.35Å; Y788-R790 VanDerWaalsContact C-N 3.25Å; Y788-R790 PolarHBondContact O-N 3.35Å; Y788-A791 PolarHBondContact O-N 3.37Å; Y788-Q792 HydrophobicContact CD1-CG 4.45Å; Y788-Q792 VanDerWaalsContact CE1-CD 3.46Å; Y788-Q792 HydrophobicContact CE1-CG 4.05Å; Y788-Q792 PolarHBondContact O-N 3.04Å; Y788-Q792 PolarHBondContact OH-NE2 3.22Å; Y788-Q792 VanDerWaalsContact OH-NE2 3.07Å
789	Q	72	Confident	65.8	Low	100 Å²	100	101.5 Å²	101.5	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-61	-35.6	176.1	-74.1	176.8	4.6	0	0	112.2	Q785 R786 R793	Q785-Q789 WeakPolarHBondContact O-CB 3.33Å; Q785-Q789 VanDerWaalsContact O-CG 3.29Å; Q785-Q789 WeakPolarHBondContact O-CG 3.46Å; Q785-Q789 PolarHBondContact O-N 2.91Å; R786-Q789 PolarHBondContact O-N 2.67Å; Q789-R793 WeakPolarHBondContact O-CG 3.49Å; Q789-R793 PolarHBondContact O-N 3.08Å
790	R	65.6	Low	63.8	Low	118 Å²	118	105.7 Å²	105.7	45%	0.445	51%	0.513	S	S	.	.	H	α-helix	trans	-70.2	-42.9	177.8	-142.3	178.5	-166.2	166.4	7.4	111.1	S489 R786 D787 Y788 Q792 R793 V794	S489-R790 PolarHBondContact OG-NH1 2.82Å; R786-R790 WeakPolarHBondContact O-CB 3.36Å; R786-R790 PolarHBondContact O-N 2.75Å; D787-R790 PolarHBondContact O-N 2.82Å; Y788-R790 VanDerWaalsContact C-N 3.25Å; Y788-R790 PolarHBondContact O-N 3.35Å; R790-Q792 VanDerWaalsContact C-N 3.33Å; R790-Q792 PolarHBondContact O-N 2.99Å; R790-R793 PolarHBondContact O-N 3.43Å; R790-V794 WeakPolarHBondContact O-CG2 2.94Å; R790-V794 PolarHBondContact O-N 3.48Å
791	A	63.2	Low	61.8	Low	54 Å²	54	113.2 Å²	113.2	45%	0.446	55%	0.55	S	S	.	*	H	α-helix	trans	-59.3	-44.2	174.4	0	0	0	0	0	111.4	D787 Y788 R793 V794 M795	D787-A791 WeakPolarHBondContact O-CB 3.32Å; D787-A791 PolarHBondContact O-N 3.07Å; Y788-A791 PolarHBondContact O-N 3.37Å; A791-R793 PolarHBondContact O-N 3.45Å; A791-V794 PolarHBondContact O-N 3.23Å; A791-M795 PolarHBondContact O-N 3.24Å
792	Q	68.1	Low	59.4	Low	85 Å²	85	114.5 Å²	114.5	40%	0.397	56%	0.562	S	S	.	*	H	α-helix	trans	-60	-43.1	173.9	-77.1	-170.3	-21.8	0	0	112.7	Y788 R790 V794 M795 M796	Y788-Q792 HydrophobicContact CD1-CG 4.45Å; Y788-Q792 VanDerWaalsContact CE1-CD 3.46Å; Y788-Q792 HydrophobicContact CE1-CG 4.05Å; Y788-Q792 PolarHBondContact O-N 3.04Å; Y788-Q792 PolarHBondContact OH-NE2 3.22Å; Y788-Q792 VanDerWaalsContact OH-NE2 3.07Å; R790-Q792 VanDerWaalsContact C-N 3.33Å; R790-Q792 PolarHBondContact O-N 2.99Å; Q792-V794 VanDerWaalsContact C-N 3.35Å; Q792-V794 PolarHBondContact O-N 2.95Å; Q792-M795 PolarHBondContact O-N 3.16Å; Q792-M796 WeakPolarHBondContact O-CG 3.42Å; Q792-M796 PolarHBondContact O-N 3.39Å
793	R	66.6	Low	57	Low	168 Å²	168	114.4 Å²	114.4	63%	0.634	57%	0.573	S	S	*	*	H	α-helix	trans	-64.5	-37.6	176.5	-75.7	-173.5	-152.8	-179.5	6.6	113	Q789 R790 A791 M795 M796 N797	Q789-R793 WeakPolarHBondContact O-CG 3.49Å; Q789-R793 PolarHBondContact O-N 3.08Å; R790-R793 PolarHBondContact O-N 3.43Å; A791-R793 PolarHBondContact O-N 3.45Å; R793-M795 VanDerWaalsContact C-N 3.32Å; R793-M796 PolarHBondContact O-N 3.47Å; R793-N797 WeakPolarHBondContact O-CB 3.24Å; R793-N797 PolarHBondContact O-N 3.23Å
794	V	62.2	Low	55	Low	100 Å²	100	118.5 Å²	118.5	61%	0.606	60%	0.604	S	S	*	*	H	α-helix	trans	-64.9	-40.2	176.3	173.2	0	0	0	0	110.3	R790 A791 Q792 N797 N798	R790-V794 WeakPolarHBondContact O-CG2 2.94Å; R790-V794 PolarHBondContact O-N 3.48Å; A791-V794 PolarHBondContact O-N 3.23Å; Q792-V794 VanDerWaalsContact C-N 3.35Å; Q792-V794 PolarHBondContact O-N 2.95Å; V794-N797 PolarHBondContact O-N 3.23Å; V794-N798 PolarHBondContact O-N 3.39Å
795	M	54.8	Low	53	Low	147 Å²	147	122 Å²	122	72%	0.724	62%	0.62	S	S	*	*	H	α-helix	trans	-65.1	-41.3	173.8	-73.8	-174.7	150.3	0	0	112.7	A791 Q792 R793 N797	A791-M795 PolarHBondContact O-N 3.24Å; Q792-M795 PolarHBondContact O-N 3.16Å; R793-M795 VanDerWaalsContact C-N 3.32Å; M795-N797 VanDerWaalsContact C-N 3.35Å; M795-N797 PolarHBondContact O-N 3.29Å
796	M	63.2	Low	50.6	Low	153 Å²	153	122.2 Å²	122.2	75%	0.754	64%	0.635	S	S	*	*	H	α-helix	trans	-69.3	-29.4	178.1	-72.8	-169.7	176.7	0	0	113.8	Q792 R793	Q792-M796 WeakPolarHBondContact O-CG 3.42Å; Q792-M796 PolarHBondContact O-N 3.39Å; R793-M796 PolarHBondContact O-N 3.47Å
797	N	52.3	Low	48.4	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-0.6	-178.4	-78	-10.8	0	0	0	114.2	R793 V794 M795	R793-N797 WeakPolarHBondContact O-CB 3.24Å; R793-N797 PolarHBondContact O-N 3.23Å; V794-N797 PolarHBondContact O-N 3.23Å; M795-N797 VanDerWaalsContact C-N 3.35Å; M795-N797 PolarHBondContact O-N 3.29Å
798	N	43	Very low	46.5	Very low	96 Å²	96	129.4 Å²	129.4	51%	0.513	68%	0.677	S	S	.	*			trans	-141.3	85.5	179.2	-145.2	3	0	0	0	111.3	V794 L800	V794-N798 PolarHBondContact O-N 3.39Å; N798-L800 PolarHBondContact O-N 3.46Å
799	P	42.2	Very low	44.4	Very low	112 Å²	112	125.4 Å²	125.4	73%	0.727	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	0.3	-173.5	-15.2	29.3	0	0	0	115.1
800	L	35.7	Very low	42.2	Very low	159 Å²	159	127 Å²	127	83%	0.832	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	16.7	-172.3	-77.2	164.9	0	0	0	114.6	N798	N798-L800 PolarHBondContact O-N 3.46Å
801	M	31.8	Very low	40.3	Very low	163 Å²	163	127.6 Å²	127.6	80%	0.803	70%	0.699	S	S	*	*			trans	-117.5	78	166.2	-69.9	-148.1	119.6	0	0	110.9
802	V	27.7	Very low	38.5	Very low	126 Å²	126	130.8 Å²	130.8	76%	0.764	71%	0.708	S	S	*	*			trans	-82.7	119.9	156.4	-176.5	0	0	0	0	106.6	S804	V802-S804 PolarHBondContact O-N 3Å
803	P	29.5	Very low	36.4	Very low	106 Å²	106	133.9 Å²	133.9	69%	0.688	73%	0.727	S	S	*	*			trans	-68.7	115.5	165.5	-5.7	22	0	0	0	107.4	Q805	P803-Q805 PolarHBondContact O-N 3.38Å
804	S	26.1	Very low	34.5	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	73%	0.725	S	S	*	*			trans	-70.4	77.3	165.8	56.5	0	0	0	0	109.1	V802	V802-S804 PolarHBondContact O-N 3Å
805	Q	28.5	Very low	32.7	Very low	160 Å²	160	132.2 Å²	132.2	75%	0.748	74%	0.735	S	S	*	*			trans	-138.6	111.4	158.7	-74.7	-167.2	-14.2	0	0	107.9	P803 F807	P803-Q805 PolarHBondContact O-N 3.38Å; Q805-F807 PolarHBondContact O-N 2.86Å; Q805-F807 VanDerWaalsContact O-N 3.09Å
806	S	23.7	Very low	31.4	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	73%	0.73	S	S	*	*			trans	-51.1	106.8	166.6	47.9	0	0	0	0	110.1
807	F	26.2	Very low	29.7	Very low	178 Å²	178	127.7 Å²	127.7	78%	0.781	73%	0.73	S	S	*	*			trans	-102.1	95.7	154.2	-103.7	-89.5	0	0	0	106.8	Q805 S809	Q805-F807 PolarHBondContact O-N 2.86Å; Q805-F807 VanDerWaalsContact O-N 3.09Å; F807-S809 VanDerWaalsContact C-N 3.29Å; F807-S809 PolarHBondContact O-N 3.02Å
808	D	24.2	Very low	28.6	Very low	163 Å²	163	128.9 Å²	128.9	87%	0.872	74%	0.737	S	S	*	*			trans	-81	88	158.5	-137.1	0.4	0	0	0	105.7
809	S	26.7	Very low	27.9	Very low	67 Å²	67	129.3 Å²	129.3	47%	0.469	74%	0.742	S	S	.	*			trans	-145.3	96.1	164.1	64.7	0	0	0	0	107.4	F807 I811	F807-S809 VanDerWaalsContact C-N 3.29Å; F807-S809 PolarHBondContact O-N 3.02Å; S809-I811 VanDerWaalsContact C-N 3.31Å; S809-I811 PolarHBondContact O-N 3.36Å
810	T	25.2	Very low	27.3	Very low	133 Å²	133	132 Å²	132	82%	0.816	75%	0.75	S	S	*	*			trans	-52.4	96.2	162.7	-18.7	0	0	0	0	107.9	D812	T810-D812 VanDerWaalsContact C-N 3.35Å; T810-D812 PolarHBondContact O-N 3.41Å
811	I	26.4	Very low	27.1	Very low	131 Å²	131	131.4 Å²	131.4	67%	0.672	75%	0.748	S	S	*	*			trans	-82.1	96	160	-67.2	176.7	0	0	0	104.8	S809 L813	S809-I811 VanDerWaalsContact C-N 3.31Å; S809-I811 PolarHBondContact O-N 3.36Å; I811-L813 VanDerWaalsContact C-N 3.33Å; I811-L813 HydrophobicContact CG2-CD1 4.13Å; I811-L813 HydrophobicContact CG2-CG 3.9Å; I811-L813 PolarHBondContact O-N 3.03Å
812	D	23.8	Very low	26.8	Very low	121 Å²	121	127.2 Å²	127.2	65%	0.647	75%	0.747	S	S	*	*			trans	-69.7	93.3	167.3	-148.2	-20.7	0	0	0	107.5	T810 T814	T810-D812 VanDerWaalsContact C-N 3.35Å; T810-D812 PolarHBondContact O-N 3.41Å; D812-T814 PolarHBondContact O-N 3.38Å; D812-T814 VanDerWaalsContact OD1-CG2 3.27Å; D812-T814 WeakPolarHBondContact OD1-CG2 3.1Å; D812-T814 PolarHBondContact OD1-OG1 3.22Å
813	L	25	Very low	26.8	Very low	150 Å²	150	129.7 Å²	129.7	79%	0.785	75%	0.747	S	S	*	*			trans	-89.1	63	163.6	-85.7	163.6	0	0	0	108.3	I811 V815	I811-L813 VanDerWaalsContact C-N 3.33Å; I811-L813 HydrophobicContact CG2-CD1 4.13Å; I811-L813 HydrophobicContact CG2-CG 3.9Å; I811-L813 PolarHBondContact O-N 3.03Å; L813-V815 PolarHBondContact O-N 3.43Å
814	T	26.1	Very low	26.9	Very low	97 Å²	97	131.6 Å²	131.6	60%	0.595	76%	0.757	S	S	*	*			trans	-85.7	90.3	158.6	35.8	0	0	0	0	108.2	D812 S816	D812-T814 PolarHBondContact O-N 3.38Å; D812-T814 VanDerWaalsContact OD1-CG2 3.27Å; D812-T814 WeakPolarHBondContact OD1-CG2 3.1Å; D812-T814 PolarHBondContact OD1-OG1 3.22Å; T814-S816 PolarHBondContact O-N 3.25Å
815	V	24.8	Very low	27	Very low	135 Å²	135	134.4 Å²	134.4	82%	0.818	75%	0.754	S	S	*	*			trans	-71.2	87.5	155.3	177.8	0	0	0	0	106.4	L813	L813-V815 PolarHBondContact O-N 3.43Å
816	S	26.4	Very low	27.2	Very low	89 Å²	89	131.4 Å²	131.4	62%	0.622	76%	0.757	S	S	*	*			trans	-107.1	126	162.3	-69.1	0	0	0	0	108.2	T814 N818	T814-S816 PolarHBondContact O-N 3.25Å; S816-N818 PolarHBondContact O-N 3.23Å
817	P	27.9	Very low	27.6	Very low	116 Å²	116	130.3 Å²	130.3	75%	0.753	75%	0.75	S	S	*	*			trans	-81.6	105.7	170.9	31.7	-25.6	0	0	0	107.5	V819	P817-V819 PolarHBondContact O-N 3.18Å
818	N	30	Very low	27.6	Very low	164 Å²	164	127 Å²	127	88%	0.877	75%	0.748	S	S	*	*			trans	-87.5	108.5	163.3	-101.4	-10.2	0	0	0	109.5	S816 D820	S816-N818 PolarHBondContact O-N 3.23Å; N818-D820 PolarHBondContact O-N 3.34Å
819	V	28	Very low	28	Very low	104 Å²	104	127.6 Å²	127.6	63%	0.63	75%	0.749	S	S	*	*			trans	-43.8	118.5	159.4	176.7	0	0	0	0	110.2	P817	P817-V819 PolarHBondContact O-N 3.18Å
820	D	30	Very low	28.3	Very low	168 Å²	168	128.7 Å²	128.7	90%	0.898	76%	0.763	S	S	*	*			trans	-106.1	114.7	144.4	-96.7	-32	0	0	0	107.9	N818 G822	N818-D820 PolarHBondContact O-N 3.34Å; D820-G822 PolarHBondContact O-N 3.22Å
821	N	30.3	Very low	28.3	Very low	147 Å²	147	134 Å²	134	79%	0.786	77%	0.768	S	S	*	*			trans	-68.3	105.5	176	-88.1	-36.9	0	0	0	109.7
822	G	26.9	Very low	28.7	Very low	75 Å²	75	138 Å²	138	77%	0.773	78%	0.78	S	S	*	*			trans	-115.9	93.8	159.4	0	0	0	0	0	109.6	D820 V824	D820-G822 PolarHBondContact O-N 3.22Å; G822-V824 PolarHBondContact O-N 2.94Å
823	F	27.9	Very low	28.9	Very low	178 Å²	178	136 Å²	136	78%	0.781	79%	0.788	S	S	*	*			trans	-47.9	119.2	173.4	-116.1	-104.5	0	0	0	113
824	V	31	Very low	29.1	Very low	147 Å²	147	134.9 Å²	134.9	89%	0.891	79%	0.793	S	S	*	*			trans	-146.2	132.5	138.3	-176.7	0	0	0	0	109	G822	G822-V824 PolarHBondContact O-N 2.94Å
825	K	29	Very low	29.3	Very low	176 Å²	176	134.2 Å²	134.2	77%	0.765	80%	0.797	S	S	*	*			trans	-78.1	168.6	-172.5	-75.9	174.3	171.1	174.6	0	114.6
826	A	31.2	Very low	29.5	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	80%	0.801	S	S	*	*			trans	87.2	131.8	161.1	0	0	0	0	0	116.4
827	S	32.2	Very low	29.5	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	82%	0.816	S	S	*	*			cis	-174.2	118.6	2.7	36.5	0	0	0	0	107.2
828	S	27.5	Very low	29.7	Very low	107 Å²	107	152 Å²	152	75%	0.748	82%	0.823	S	S	*	*				45.8	117.2	114.1	67.8	0	0	0	0	118.8
829	I	32.6	Very low	29.7	Very low	176 Å²	176	156 Å²	156	90%	0.903	83%	0.826	S	S	*	*			trans	167.2	142.4	142.5	-82.6	150.3	0	0	0	105.6
830	A	32.4	Very low	29.7	Very low	91 Å²	91	155 Å²	155	75%	0.752	84%	0.836	S	S	*	*			cis	-163.8	153.9	-31.8	0	0	0	0	0	105.2
831	R	25.9	Very low	29.8	Very low	244 Å²	244	152 Å²	152	92%	0.921	84%	0.835	S	S	*	*			trans	-69.6	146	173.8	-72.8	171.9	165.7	167.5	-5.3	112.7
832	K	33.1	Very low	29.7	Very low	214 Å²	214	150.8 Å²	150.8	93%	0.93	84%	0.838	S	S	*	*			trans	-178.5	127	141.6	-95.9	170.3	-174.4	-177.4	0	104.2
833	G	27.9	Very low	30	Very low	79 Å²	79	153.2 Å²	153.2	81%	0.814	84%	0.843	S	S	*	*			cis	109.6	101.7	38.8	0	0	0	0	0	108
834	S	30.2	Very low	30.1	Very low	127 Å²	127	148.6 Å²	148.6	89%	0.888	85%	0.845	S	S	*	*			trans	174.5	133	137.4	-172.2	0	0	0	0	111.9
835	A	29.7	Very low	30	Very low	83 Å²	83	148.1 Å²	148.1	69%	0.686	84%	0.842	S	S	*	*			trans	-71.3	154	173.3	0	0	0	0	0	112.8
836	Y	29.1	Very low	30	Very low	228 Å²	228	151 Å²	151	89%	0.894	85%	0.848	S	S	*	*			trans	-128.9	98.6	153.2	-122.4	-96.1	0	0	0	109.5
837	R	26.8	Very low	30	Very low	246 Å²	246	155.7 Å²	155.7	93%	0.928	85%	0.851	S	S	*	*			trans	-131	110.3	155.5	-113.3	-172.9	180	-168.3	1.6	105.9
838	R	31.8	Very low	30	Very low	239 Å²	239	160.6 Å²	160.6	90%	0.902	86%	0.86	S	S	*	*			trans	-130.7	136	159.7	-100.6	-171.4	179.8	-179	1.1	110
839	R	30.5	Very low	30	Very low	250 Å²	250	167.4 Å²	167.4	94%	0.943	87%	0.869	S	S	*	*			trans	-71.1	153.2	176.2	-70.8	170.9	164.5	175.7	-5.6	111.1
840	G	27.2	Very low	30	Very low	81 Å²	81	162.4 Å²	162.4	84%	0.835	86%	0.86	S	S	*	*				70.6	98.9	125.9	0	0	0	0	0	118.6
841	A	31.6	Very low	30	Very low	107 Å²	107	167.4 Å²	167.4	88%	0.884	87%	0.865	S	S	*	*			trans	-147.2	122.3	135.9	0	0	0	0	0	108.8
842	S	29.3	Very low	30.2	Very low	121 Å²	121	167.9 Å²	167.9	85%	0.846	87%	0.867	S	S	*	*			trans	-78.6	126.9	175.5	47.8	0	0	0	0	111.3
843	S	33.8	Very low	30.2	Very low	126 Å²	126	163.9 Å²	163.9	88%	0.881	86%	0.861	S	S	*	*			trans	-176.4	132.9	148.8	52.5	0	0	0	0	110
844	G	29.6	Very low	30.4	Very low	80 Å²	80	172 Å²	172	83%	0.825	87%	0.867	S	S	*	*			trans	116	58.3	160	0	0	0	0	0	116.9	R846	G844-R846 PolarHBondContact O-N 3.09Å
845	V	29.2	Very low	30.4	Very low	137 Å²	137	169.5 Å²	169.5	83%	0.83	86%	0.86	S	S	*	*			trans	-66.1	120.2	159.3	171.4	0	0	0	0	109.6
846	R	29.5	Very low	30.4	Very low	237 Å²	237	177.7 Å²	177.7	89%	0.894	87%	0.874	S	S	*	*			trans	-144.2	86.9	144.3	-85.9	-167.1	177.3	170.8	-0.5	109.8	G844	G844-R846 PolarHBondContact O-N 3.09Å
847	K	31.2	Very low	30.5	Very low	196 Å²	196	172.4 Å²	172.4	85%	0.852	87%	0.87	S	S	*	*			trans	-82.4	115.1	156.7	-86	179.5	176	172	0	107.9	R849	K847-R849 PolarHBondContact O-N 3.24Å
848	F	30.2	Very low	30.9	Very low	204 Å²	204	166.4 Å²	166.4	90%	0.895	87%	0.866	S	S	*	*			trans	-81.9	102.2	159.4	-112.1	-92.5	0	0	0	108
849	R	28.9	Very low	31.1	Very low	250 Å²	250	163.1 Å²	163.1	94%	0.943	86%	0.861	S	S	*	*			trans	-147.8	103	163.7	-132.4	-175.5	-176.2	-172.7	3.1	108.7	K847	K847-R849 PolarHBondContact O-N 3.24Å
850	G	32.1	Very low	31.2	Very low	70 Å²	70	158.7 Å²	158.7	72%	0.722	86%	0.856	S	S	*	*			trans	-165.5	137.2	166.6	0	0	0	0	0	106.3
851	K	32.3	Very low	31.4	Very low	196 Å²	196	158 Å²	158	85%	0.852	85%	0.848	S	S	*	*			cis	-142.8	137.6	1.7	-81.7	171.3	171	174.7	0	106.4
852	R	29.9	Very low	31.5	Very low	254 Å²	254	158.5 Å²	158.5	96%	0.958	85%	0.845	S	S	*	*			trans	-88.7	115.5	154	-100.2	179.2	163.2	175.8	-4.6	106
853	T	33.7	Very low	31.8	Very low	130 Å²	130	161.2 Å²	161.2	80%	0.798	85%	0.845	S	S	*	*			trans	-104.7	115.4	161.6	41.2	0	0	0	0	107.9
854	R	32.8	Very low	31.8	Very low	251 Å²	251	165.6 Å²	165.6	95%	0.947	85%	0.848	S	S	*	*			trans	-83.7	135.2	165.5	-91.3	179.1	162	170.6	-6.3	108.5
855	G	29.1	Very low	32.1	Very low	73 Å²	73	171 Å²	171	75%	0.753	85%	0.849	S	S	*	*			trans	62.3	108.4	134.9	0	0	0	0	0	119.1
856	R	30.8	Very low	32.4	Very low	255 Å²	255	174.8 Å²	174.8	96%	0.962	85%	0.854	S	S	*	*				-150.1	116.4	129.7	-117.1	177.6	179.7	-175.1	-0.8	110.3
857	S	30.5	Very low	32.5	Very low	117 Å²	117	174.5 Å²	174.5	82%	0.818	85%	0.853	S	S	*	*			trans	-79	129.4	157.7	46.8	0	0	0	0	109.1
858	S	35.8	Very low	32.8	Very low	120 Å²	120	173.1 Å²	173.1	84%	0.839	85%	0.854	S	S	*	*			trans	-156.7	145.3	141.2	71.8	0	0	0	0	110.2
859	Q	34.7	Very low	32.9	Very low	171 Å²	171	169.4 Å²	169.4	80%	0.799	85%	0.848	S	S	*	*			trans	-83.2	165.8	-170.4	-61.1	165	-59.1	0	0	113.2
860	N	33.7	Very low	33.5	Very low	156 Å²	156	163.9 Å²	163.9	83%	0.834	84%	0.842	S	S	*	*			trans	92.1	128.9	140.4	-71.4	-13.5	0	0	0	122.3
861	G	31.3	Very low	33.7	Very low	66 Å²	66	163.9 Å²	163.9	68%	0.68	84%	0.842	S	S	*	*			trans	128.5	74.5	162.7	0	0	0	0	0	113.2
862	S	33.8	Very low	34.3	Very low	118 Å²	118	160.9 Å²	160.9	83%	0.825	84%	0.843	S	S	*	*				48.8	124.1	90.8	-61.3	0	0	0	0	112.9
863	Q	35.1	Very low	34.9	Very low	179 Å²	179	154.5 Å²	154.5	84%	0.836	84%	0.837	S	S	*	*			cis	-159.5	143.3	34.6	-66.1	174.3	-32	0	0	111.1
864	K	34.6	Very low	35.5	Very low	217 Å²	217	155.3 Å²	155.3	94%	0.943	84%	0.842	S	S	*	*				-163.5	121.5	116.1	-114.5	176.8	-177.5	175.3	0	110.8
865	K	34.4	Very low	36.2	Very low	194 Å²	194	147.1 Å²	147.1	84%	0.843	84%	0.835	S	S	*	*			trans	-67.6	142.4	179.7	-67.8	168.5	172.2	174.9	0	111.4
866	K	36.7	Very low	36.8	Very low	216 Å²	216	159.3 Å²	159.3	94%	0.939	86%	0.859	S	S	*	*				-164.1	118	113.6	-102.5	177.6	-176.5	-176.2	0	109
867	R	31.6	Very low	37.1	Very low	232 Å²	232	154.6 Å²	154.6	88%	0.875	85%	0.853	S	S	*	*			trans	-113	135.1	-179.8	-165	-173.8	-164.4	-166.6	5.1	105.2
868	L	37	Very low	37.5	Very low	166 Å²	166	156.5 Å²	156.5	87%	0.869	86%	0.855	S	S	*	*			trans	-158.8	108.7	153.7	-102.3	163.3	0	0	0	108
869	T	32.4	Very low	37.6	Very low	127 Å²	127	158.6 Å²	158.6	78%	0.779	86%	0.856	S	S	*	*			trans	-133.3	120.5	160.4	44.2	0	0	0	0	105.5
870	V	41.6	Very low	37.7	Very low	134 Å²	134	157.8 Å²	157.8	81%	0.812	86%	0.859	S	S	*	*			trans	-136.8	115.3	163	179.1	0	0	0	0	107.7
871	G	35.2	Very low	38	Very low	69 Å²	69	157.9 Å²	157.9	71%	0.711	86%	0.861	S	S	*	*				64.4	126.4	128.9	0	0	0	0	0	120.7
872	P	45.7	Very low	38.4	Very low	134 Å²	134	164.1 Å²	164.1	87%	0.87	87%	0.873	S	S	*	*			trans	-93.1	150.3	171.6	36.4	-29.3	0	0	0	112.7
873	S	42.2	Very low	38.8	Very low	120 Å²	120	167.4 Å²	167.4	84%	0.839	88%	0.876	S	S	*	*			trans	-145.8	133.9	161.2	61.8	0	0	0	0	111.1
874	T	47	Very low	39	Very low	147 Å²	147	166.5 Å²	166.5	90%	0.902	88%	0.88	S	S	*	*			trans	-75.9	151.9	177.8	44.7	0	0	0	0	113.6
875	G	46.6	Very low	39.4	Very low	78 Å²	78	162.3 Å²	162.3	80%	0.804	87%	0.874	S	S	*	*			trans	155.1	79.8	153.8	0	0	0	0	0	118.1
876	R	42.6	Very low	39.9	Very low	330 Å²	330	159.4 Å²	159.4	100%	1.245	88%	0.877	S	S	*	*				-172.1	0	121.5	-115.8	-175.4	-171.1	-173.2	3.5	111.1

Retrieved 876 of 876 residues in 611.5 ms (Link to these results)

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